data_25848 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25848 _Entry.PDB_ID 2N8F save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25848 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASN HA H 2 4.711 4.711 5.085 -0.374 25848 2 1 1 . 1 1 2 2 ASN C C 2 174.785 174.785 174.359 0.426 25848 3 1 1 . 1 1 2 2 ASN CB C 2 38.820 38.820 40.415 -1.595 25848 4 1 1 . 1 1 3 3 GLU N N 3 121.744 121.744 120.417 1.327 25848 5 1 1 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.626 -0.278 25848 6 1 1 . 1 1 3 3 GLU C C 3 176.060 176.060 175.743 0.317 25848 7 1 1 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.002 0.265 25848 8 1 1 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.636 -0.449 25848 9 1 1 . 1 1 3 3 GLU H H 3 8.470 8.470 8.792 -0.322 25848 10 1 1 . 1 1 4 4 CYS N N 4 119.765 119.765 116.715 3.050 25848 11 1 1 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.775 0.022 25848 12 1 1 . 1 1 4 4 CYS C C 4 173.263 173.263 175.042 -1.779 25848 13 1 1 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.624 12.677 25848 14 1 1 . 1 1 4 4 CYS H H 4 8.317 8.317 8.545 -0.228 25848 15 1 1 . 1 1 5 5 ILE N N 5 122.940 122.940 122.330 0.610 25848 16 1 1 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.049 -0.161 25848 17 1 1 . 1 1 5 5 ILE C C 5 173.890 173.890 175.519 -1.629 25848 18 1 1 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.894 0.622 25848 19 1 1 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.535 0.745 25848 20 1 1 . 1 1 5 5 ILE H H 5 8.912 8.912 8.136 0.776 25848 21 1 1 . 1 1 6 6 ARG N N 6 125.981 125.981 126.600 -0.619 25848 22 1 1 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.289 -0.427 25848 23 1 1 . 1 1 6 6 ARG C C 6 174.259 174.259 175.799 -1.540 25848 24 1 1 . 1 1 6 6 ARG CA C 6 56.018 56.018 55.889 0.129 25848 25 1 1 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.696 1.081 25848 26 1 1 . 1 1 6 6 ARG H H 6 7.528 7.528 8.270 -0.742 25848 27 1 1 . 1 1 7 7 LYS N N 7 116.267 116.267 122.758 -6.491 25848 28 1 1 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.892 -0.606 25848 29 1 1 . 1 1 7 7 LYS C C 7 175.417 175.417 176.885 -1.468 25848 30 1 1 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.657 0.666 25848 31 1 1 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.687 -0.016 25848 32 1 1 . 1 1 7 7 LYS H H 7 7.558 7.558 8.361 -0.803 25848 33 1 1 . 1 1 8 8 TRP N N 8 115.300 115.300 122.714 -7.414 25848 34 1 1 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.328 -0.068 25848 35 1 1 . 1 1 8 8 TRP C C 8 175.069 175.069 175.571 -0.502 25848 36 1 1 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.057 -0.049 25848 37 1 1 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.874 0.813 25848 38 1 1 . 1 1 8 8 TRP H H 8 9.357 9.357 8.069 1.288 25848 39 1 1 . 1 1 9 9 LEU N N 9 120.240 120.240 120.719 -0.479 25848 40 1 1 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.703 -0.006 25848 41 1 1 . 1 1 9 9 LEU C C 9 176.636 176.636 175.920 0.716 25848 42 1 1 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.226 -1.978 25848 43 1 1 . 1 1 9 9 LEU H H 9 7.701 7.701 7.982 -0.281 25848 44 1 1 . 1 1 10 10 SER N N 10 110.077 110.077 110.220 -0.143 25848 45 1 1 . 1 1 10 10 SER HA H 10 4.704 4.704 4.675 0.029 25848 46 1 1 . 1 1 10 10 SER CB C 10 64.064 64.064 63.951 0.113 25848 47 1 1 . 1 1 10 10 SER H H 10 8.148 8.148 8.042 0.106 25848 48 1 1 . 1 1 11 11 CYS N N 11 121.141 121.141 124.384 -3.243 25848 49 1 1 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.747 0.123 25848 50 1 1 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.735 16.296 25848 51 1 1 . 1 1 11 11 CYS H H 11 8.580 8.580 8.632 -0.052 25848 52 1 1 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.784 -0.219 25848 53 1 1 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.152 0.045 25848 54 1 1 . 1 1 12 12 VAL H H 12 7.776 7.776 7.835 -0.059 25848 55 1 1 . 1 1 15 15 LYS N N 15 117.195 117.195 123.175 -5.980 25848 56 1 1 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.161 0.198 25848 57 1 1 . 1 1 15 15 LYS C C 15 177.505 177.505 177.763 -0.258 25848 58 1 1 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.096 1.346 25848 59 1 1 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.177 0.394 25848 60 1 1 . 1 1 15 15 LYS H H 15 7.936 7.936 8.562 -0.626 25848 61 1 1 . 1 1 16 16 ASN N N 16 115.005 115.005 117.552 -2.547 25848 62 1 1 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.599 0.476 25848 63 1 1 . 1 1 16 16 ASN C C 16 176.707 176.707 175.280 1.427 25848 64 1 1 . 1 1 16 16 ASN CA C 16 53.010 53.010 55.268 -2.258 25848 65 1 1 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.227 0.942 25848 66 1 1 . 1 1 16 16 ASN H H 16 8.644 8.644 8.565 0.080 25848 67 1 1 . 1 1 17 17 ASP N N 17 118.040 118.040 117.872 0.168 25848 68 1 1 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.858 0.005 25848 69 1 1 . 1 1 17 17 ASP C C 17 176.756 176.756 175.799 0.957 25848 70 1 1 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.580 0.430 25848 71 1 1 . 1 1 17 17 ASP H H 17 7.592 7.592 7.728 -0.136 25848 72 1 1 . 1 1 18 18 CYS N N 18 119.499 119.499 117.538 1.961 25848 73 1 1 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.253 0.647 25848 74 1 1 . 1 1 18 18 CYS C C 18 176.186 176.186 174.277 1.909 25848 75 1 1 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.520 11.367 25848 76 1 1 . 1 1 18 18 CYS H H 18 8.729 8.729 7.651 1.078 25848 77 1 1 . 1 1 19 19 CYS N N 19 120.655 120.655 112.770 7.885 25848 78 1 1 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.387 0.028 25848 79 1 1 . 1 1 19 19 CYS C C 19 171.719 171.719 172.765 -1.046 25848 80 1 1 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.160 -3.591 25848 81 1 1 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.470 11.447 25848 82 1 1 . 1 1 19 19 CYS H H 19 9.086 9.086 8.248 0.838 25848 83 1 1 . 1 1 20 20 GLU N N 20 118.445 118.445 123.644 -5.199 25848 84 1 1 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.289 -0.358 25848 85 1 1 . 1 1 20 20 GLU C C 20 176.509 176.509 176.677 -0.168 25848 86 1 1 . 1 1 20 20 GLU CA C 20 57.820 57.820 57.029 0.791 25848 87 1 1 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.638 0.265 25848 88 1 1 . 1 1 20 20 GLU H H 20 8.155 8.155 8.902 -0.747 25848 89 1 1 . 1 1 21 21 GLY N N 21 113.662 113.662 113.629 0.033 25848 90 1 1 . 1 1 21 21 GLY C C 21 172.614 172.614 172.925 -0.311 25848 91 1 1 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.213 -0.682 25848 92 1 1 . 1 1 21 21 GLY H H 21 8.719 8.719 8.488 0.231 25848 93 1 1 . 1 1 22 22 LEU N N 22 120.372 120.372 119.454 0.918 25848 94 1 1 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.085 -0.004 25848 95 1 1 . 1 1 22 22 LEU C C 22 174.927 174.927 175.692 -0.765 25848 96 1 1 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.002 -0.552 25848 97 1 1 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.342 -0.831 25848 98 1 1 . 1 1 22 22 LEU H H 22 7.641 7.641 6.997 0.644 25848 99 1 1 . 1 1 23 23 GLU N N 23 117.193 117.193 118.027 -0.834 25848 100 1 1 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.687 0.021 25848 101 1 1 . 1 1 23 23 GLU C C 23 173.821 173.821 174.590 -0.769 25848 102 1 1 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.075 -0.743 25848 103 1 1 . 1 1 23 23 GLU CB C 23 32.486 32.486 33.126 -0.640 25848 104 1 1 . 1 1 23 23 GLU H H 23 9.299 9.299 8.448 0.851 25848 105 1 1 . 1 1 24 24 CYS N N 24 123.260 123.260 120.961 2.299 25848 106 1 1 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.388 0.413 25848 107 1 1 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.446 13.849 25848 108 1 1 . 1 1 24 24 CYS H H 24 8.953 8.953 8.657 0.296 25848 109 1 1 . 1 1 25 25 TYR N N 25 134.523 134.523 128.110 6.413 25848 110 1 1 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.650 0.163 25848 111 1 1 . 1 1 25 25 TYR C C 25 173.768 173.768 174.318 -0.550 25848 112 1 1 . 1 1 25 25 TYR CB C 25 43.346 43.346 42.555 0.791 25848 113 1 1 . 1 1 25 25 TYR H H 25 9.338 9.338 8.263 1.075 25848 114 1 1 . 1 1 26 26 LYS N N 26 127.496 127.496 120.741 6.755 25848 115 1 1 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.452 -0.356 25848 116 1 1 . 1 1 26 26 LYS C C 26 174.360 174.360 175.526 -1.166 25848 117 1 1 . 1 1 26 26 LYS CA C 26 55.938 55.938 54.826 1.112 25848 118 1 1 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.850 -1.183 25848 119 1 1 . 1 1 26 26 LYS H H 26 8.176 8.176 7.446 0.730 25848 120 1 1 . 1 1 27 27 ARG N N 27 125.899 125.899 125.649 0.250 25848 121 1 1 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.546 -0.321 25848 122 1 1 . 1 1 27 27 ARG C C 27 174.385 174.385 176.147 -1.762 25848 123 1 1 . 1 1 27 27 ARG CA C 27 55.989 55.989 54.530 1.459 25848 124 1 1 . 1 1 27 27 ARG CB C 27 32.009 32.009 31.245 0.764 25848 125 1 1 . 1 1 27 27 ARG H H 27 7.493 7.493 8.680 -1.187 25848 126 1 1 . 1 1 28 28 ARG N N 28 121.214 121.214 121.010 0.204 25848 127 1 1 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.272 -0.360 25848 128 1 1 . 1 1 28 28 ARG C C 28 176.613 176.613 177.388 -0.775 25848 129 1 1 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.946 -0.332 25848 130 1 1 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.663 -0.989 25848 131 1 1 . 1 1 28 28 ARG H H 28 8.519 8.519 8.619 -0.100 25848 132 1 1 . 1 1 29 29 HIS N N 29 116.413 116.413 116.278 0.135 25848 133 1 1 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.786 -0.306 25848 134 1 1 . 1 1 29 29 HIS C C 29 174.166 174.166 174.887 -0.721 25848 135 1 1 . 1 1 29 29 HIS CA C 29 56.020 56.020 56.056 -0.036 25848 136 1 1 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.834 -2.700 25848 137 1 1 . 1 1 29 29 HIS H H 29 8.771 8.771 8.199 0.572 25848 138 1 1 . 1 1 30 30 SER N N 30 113.403 113.403 116.913 -3.510 25848 139 1 1 . 1 1 30 30 SER HA H 30 4.469 4.469 4.559 -0.090 25848 140 1 1 . 1 1 30 30 SER C C 30 173.332 173.332 174.057 -0.725 25848 141 1 1 . 1 1 30 30 SER CA C 30 57.257 57.257 58.215 -0.958 25848 142 1 1 . 1 1 30 30 SER CB C 30 63.559 63.559 63.963 -0.404 25848 143 1 1 . 1 1 30 30 SER H H 30 7.826 7.826 8.107 -0.281 25848 144 1 1 . 1 1 31 31 PHE N N 31 118.662 118.662 120.909 -2.247 25848 145 1 1 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.492 0.301 25848 146 1 1 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.361 0.951 25848 147 1 1 . 1 1 31 31 PHE H H 31 7.801 7.801 8.525 -0.724 25848 148 1 1 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.399 0.211 25848 149 1 1 . 1 1 32 32 GLU CB C 32 30.289 30.289 31.065 -0.776 25848 150 1 1 . 1 1 33 33 VAL N N 33 121.027 121.027 116.143 4.884 25848 151 1 1 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.624 0.477 25848 152 1 1 . 1 1 33 33 VAL C C 33 175.754 175.754 175.037 0.717 25848 153 1 1 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.689 -1.144 25848 154 1 1 . 1 1 33 33 VAL CB C 33 37.464 37.464 34.831 2.633 25848 155 1 1 . 1 1 33 33 VAL H H 33 8.581 8.581 8.114 0.467 25848 156 1 1 . 1 1 34 34 CYS N N 34 119.365 119.365 119.105 0.260 25848 157 1 1 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.741 0.323 25848 158 1 1 . 1 1 34 34 CYS C C 34 174.853 174.853 175.038 -0.185 25848 159 1 1 . 1 1 34 34 CYS CA C 34 54.695 54.695 60.004 -5.309 25848 160 1 1 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.554 14.420 25848 161 1 1 . 1 1 34 34 CYS H H 34 7.968 7.968 8.664 -0.696 25848 162 1 1 . 1 1 35 35 VAL N N 35 122.141 122.141 117.199 4.942 25848 163 1 1 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.165 0.303 25848 164 1 1 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.921 0.109 25848 165 1 1 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.419 -0.203 25848 166 1 1 . 1 1 35 35 VAL H H 35 9.611 9.611 8.849 0.762 25848 167 1 1 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.517 -0.119 25848 168 1 1 . 1 1 36 36 PRO C C 36 176.509 176.509 176.657 -0.148 25848 169 1 1 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.529 0.791 25848 170 1 1 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.769 0.343 25848 171 1 1 . 1 1 37 37 ILE N N 37 125.294 125.294 126.890 -1.596 25848 172 1 1 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.339 -0.208 25848 173 1 1 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.429 0.361 25848 174 1 1 . 1 1 37 37 ILE CB C 37 39.566 39.566 38.069 1.497 25848 175 1 1 . 1 1 37 37 ILE H H 37 7.927 7.927 8.100 -0.173 25848 176 1 1 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.525 -0.188 25848 177 1 1 . 1 1 38 38 PRO C C 38 177.800 177.800 177.527 0.273 25848 178 1 1 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.607 0.487 25848 179 1 1 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.862 -0.131 25848 180 1 1 . 1 1 39 39 GLY N N 39 112.745 112.745 112.727 0.018 25848 181 1 1 . 1 1 39 39 GLY C C 39 174.463 174.463 174.809 -0.346 25848 182 1 1 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.119 0.344 25848 183 1 1 . 1 1 39 39 GLY H H 39 8.843 8.843 8.497 0.346 25848 184 1 1 . 1 1 40 40 PHE N N 40 120.803 120.803 120.367 0.436 25848 185 1 1 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.422 -0.101 25848 186 1 1 . 1 1 40 40 PHE C C 40 174.706 174.706 174.696 0.010 25848 187 1 1 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.358 0.310 25848 188 1 1 . 1 1 40 40 PHE CB C 40 39.815 39.815 39.974 -0.159 25848 189 1 1 . 1 1 40 40 PHE H H 40 7.762 7.762 7.561 0.201 25848 190 1 1 . 1 1 41 41 CYS N N 41 120.807 120.807 120.922 -0.115 25848 191 1 1 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.588 -0.014 25848 192 1 1 . 1 1 41 41 CYS C C 41 171.732 171.732 171.863 -0.131 25848 193 1 1 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.060 -1.394 25848 194 1 1 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.725 13.384 25848 195 1 1 . 1 1 41 41 CYS H H 41 7.040 7.040 7.302 -0.262 25848 196 1 1 . 1 1 42 42 LEU N N 42 119.987 119.987 119.238 0.749 25848 197 1 1 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.843 -0.571 25848 198 1 1 . 1 1 42 42 LEU C C 42 173.872 173.872 176.468 -2.596 25848 199 1 1 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.274 0.729 25848 200 1 1 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.743 -0.917 25848 201 1 1 . 1 1 42 42 LEU H H 42 8.728 8.728 8.210 0.518 25848 202 1 1 . 1 1 43 43 VAL N N 43 115.632 115.632 115.184 0.448 25848 203 1 1 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.428 -0.620 25848 204 1 1 . 1 1 43 43 VAL C C 43 173.751 173.751 175.847 -2.096 25848 205 1 1 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.458 -0.200 25848 206 1 1 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.137 -1.280 25848 207 1 1 . 1 1 43 43 VAL H H 43 7.192 7.192 8.076 -0.884 25848 208 1 1 . 1 1 44 44 LYS N N 44 117.023 117.023 117.239 -0.216 25848 209 1 1 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.156 -0.926 25848 210 1 1 . 1 1 44 44 LYS C C 44 176.385 176.385 175.403 0.982 25848 211 1 1 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.114 0.659 25848 212 1 1 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.640 0.391 25848 213 1 1 . 1 1 44 44 LYS H H 44 7.531 7.531 8.600 -1.069 25848 214 1 1 . 1 1 45 45 TRP N N 45 117.377 117.377 118.249 -0.872 25848 215 1 1 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.798 -0.351 25848 216 1 1 . 1 1 45 45 TRP C C 45 175.675 175.675 175.037 0.638 25848 217 1 1 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.119 1.902 25848 218 1 1 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.749 -2.754 25848 219 1 1 . 1 1 45 45 TRP H H 45 9.364 9.364 7.624 1.740 25848 220 1 1 . 1 1 46 46 LYS N N 46 119.913 119.913 120.024 -0.111 25848 221 1 1 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.752 -0.362 25848 222 1 1 . 1 1 46 46 LYS C C 46 176.776 176.776 175.976 0.800 25848 223 1 1 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.756 0.405 25848 224 1 1 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.011 -1.345 25848 225 1 1 . 1 1 46 46 LYS H H 46 7.985 7.985 7.456 0.529 25848 226 1 1 . 1 1 47 47 GLN N N 47 121.031 121.031 120.228 0.803 25848 227 1 1 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.342 0.537 25848 228 1 1 . 1 1 47 47 GLN C C 47 177.118 177.118 176.764 0.354 25848 229 1 1 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.948 -0.393 25848 230 1 1 . 1 1 47 47 GLN H H 47 8.623 8.623 8.751 -0.128 25848 231 1 1 . 1 1 48 48 CYS N N 48 115.456 115.456 120.124 -4.668 25848 232 1 1 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.643 0.113 25848 233 1 1 . 1 1 48 48 CYS C C 48 173.978 173.978 175.660 -1.682 25848 234 1 1 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.412 14.577 25848 235 1 1 . 1 1 48 48 CYS H H 48 8.365 8.365 8.568 -0.203 25848 236 1 1 . 1 1 49 49 ASP N N 49 123.208 123.208 123.924 -0.716 25848 237 1 1 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.313 0.135 25848 238 1 1 . 1 1 49 49 ASP C C 49 177.773 177.773 177.498 0.275 25848 239 1 1 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.469 0.519 25848 240 1 1 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.407 0.673 25848 241 1 1 . 1 1 49 49 ASP H H 49 7.839 7.839 7.716 0.123 25848 242 1 1 . 1 1 50 50 GLY N N 50 115.583 115.583 116.064 -0.481 25848 243 1 1 . 1 1 50 50 GLY C C 50 173.522 173.522 174.723 -1.201 25848 244 1 1 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.501 0.783 25848 245 1 1 . 1 1 50 50 GLY H H 50 9.371 9.371 9.127 0.244 25848 246 1 1 . 1 1 51 51 ARG N N 51 122.794 122.794 122.117 0.677 25848 247 1 1 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.615 0.043 25848 248 1 1 . 1 1 51 51 ARG C C 51 176.977 176.977 176.825 0.152 25848 249 1 1 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.655 0.097 25848 250 1 1 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.844 1.239 25848 251 1 1 . 1 1 51 51 ARG H H 51 8.199 8.199 7.985 0.214 25848 252 1 1 . 1 1 52 52 GLU N N 52 117.957 117.957 118.895 -0.938 25848 253 1 1 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.093 -0.019 25848 254 1 1 . 1 1 52 52 GLU C C 52 178.254 178.254 176.481 1.773 25848 255 1 1 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.585 2.645 25848 256 1 1 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.263 -0.455 25848 257 1 1 . 1 1 52 52 GLU H H 52 8.992 8.992 8.691 0.301 25848 258 1 1 . 1 1 53 53 ARG N N 53 116.423 116.423 116.840 -0.417 25848 259 1 1 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.555 0.009 25848 260 1 1 . 1 1 53 53 ARG C C 53 177.327 177.327 175.325 2.002 25848 261 1 1 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.977 -0.497 25848 262 1 1 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.191 -0.926 25848 263 1 1 . 1 1 53 53 ARG H H 53 8.513 8.513 7.953 0.560 25848 264 1 1 . 1 1 54 54 ASP N N 54 118.043 118.043 120.227 -2.184 25848 265 1 1 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.802 0.013 25848 266 1 1 . 1 1 54 54 ASP C C 54 176.941 176.941 175.279 1.662 25848 267 1 1 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.709 -2.962 25848 268 1 1 . 1 1 54 54 ASP H H 54 7.933 7.933 8.058 -0.125 25848 269 1 1 . 1 1 55 55 CYS N N 55 118.999 118.999 118.342 0.657 25848 270 1 1 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.166 0.811 25848 271 1 1 . 1 1 55 55 CYS C C 55 175.757 175.757 175.390 0.367 25848 272 1 1 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.956 -4.967 25848 273 1 1 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.260 11.174 25848 274 1 1 . 1 1 55 55 CYS H H 55 8.222 8.222 7.584 0.638 25848 275 1 1 . 1 1 56 56 CYS N N 56 121.139 121.139 120.036 1.103 25848 276 1 1 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.303 0.031 25848 277 1 1 . 1 1 56 56 CYS C C 56 171.957 171.957 175.576 -3.619 25848 278 1 1 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.849 -5.358 25848 279 1 1 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.307 12.706 25848 280 1 1 . 1 1 56 56 CYS H H 56 8.999 8.999 8.105 0.894 25848 281 1 1 . 1 1 57 57 ALA N N 57 120.553 120.553 124.535 -3.982 25848 282 1 1 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.130 -0.057 25848 283 1 1 . 1 1 57 57 ALA C C 57 178.248 178.248 178.266 -0.018 25848 284 1 1 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.216 0.548 25848 285 1 1 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.378 0.019 25848 286 1 1 . 1 1 57 57 ALA H H 57 8.084 8.084 8.545 -0.461 25848 287 1 1 . 1 1 58 58 GLY N N 58 110.247 110.247 111.639 -1.392 25848 288 1 1 . 1 1 58 58 GLY C C 58 173.204 173.204 173.854 -0.650 25848 289 1 1 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.753 0.005 25848 290 1 1 . 1 1 58 58 GLY H H 58 8.713 8.713 8.577 0.136 25848 291 1 1 . 1 1 59 59 LEU N N 59 120.155 120.155 121.571 -1.416 25848 292 1 1 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.543 0.423 25848 293 1 1 . 1 1 59 59 LEU C C 59 175.349 175.349 176.021 -0.672 25848 294 1 1 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.751 -2.306 25848 295 1 1 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.414 1.070 25848 296 1 1 . 1 1 59 59 LEU H H 59 7.901 7.901 7.341 0.560 25848 297 1 1 . 1 1 60 60 GLU N N 60 117.726 117.726 114.400 3.326 25848 298 1 1 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.493 0.186 25848 299 1 1 . 1 1 60 60 GLU C C 60 174.016 174.016 174.647 -0.631 25848 300 1 1 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.285 0.310 25848 301 1 1 . 1 1 60 60 GLU H H 60 9.145 9.145 8.132 1.013 25848 302 1 1 . 1 1 61 61 CYS N N 61 122.299 122.299 122.707 -0.408 25848 303 1 1 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.428 0.418 25848 304 1 1 . 1 1 61 61 CYS C C 61 173.374 173.374 174.855 -1.481 25848 305 1 1 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.394 14.080 25848 306 1 1 . 1 1 61 61 CYS H H 61 9.064 9.064 9.013 0.051 25848 307 1 1 . 1 1 62 62 TRP N N 62 135.668 135.668 130.551 5.117 25848 308 1 1 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.607 0.291 25848 309 1 1 . 1 1 62 62 TRP C C 62 174.430 174.430 174.824 -0.394 25848 310 1 1 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.766 0.700 25848 311 1 1 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.635 0.350 25848 312 1 1 . 1 1 62 62 TRP H H 62 9.434 9.434 8.304 1.130 25848 313 1 1 . 1 1 63 63 LYS N N 63 128.624 128.624 128.156 0.468 25848 314 1 1 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.331 0.016 25848 315 1 1 . 1 1 63 63 LYS C C 63 175.409 175.409 175.616 -0.207 25848 316 1 1 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.269 0.352 25848 317 1 1 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.310 0.208 25848 318 1 1 . 1 1 63 63 LYS H H 63 8.392 8.392 8.583 -0.191 25848 319 1 1 . 1 1 64 64 ARG N N 64 125.507 125.507 124.640 0.867 25848 320 1 1 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.312 -0.377 25848 321 1 1 . 1 1 64 64 ARG C C 64 175.704 175.704 174.596 1.108 25848 322 1 1 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.364 0.491 25848 323 1 1 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.099 0.397 25848 324 1 1 . 1 1 64 64 ARG H H 64 7.877 7.877 8.065 -0.188 25848 325 1 1 . 1 1 65 65 SER N N 65 115.709 115.709 118.898 -3.189 25848 326 1 1 . 1 1 65 65 SER HA H 65 4.306 4.306 4.855 -0.549 25848 327 1 1 . 1 1 65 65 SER C C 65 175.289 175.289 175.165 0.124 25848 328 1 1 . 1 1 65 65 SER CA C 65 58.778 58.778 57.398 1.380 25848 329 1 1 . 1 1 65 65 SER CB C 65 63.667 63.667 65.244 -1.577 25848 330 1 1 . 1 1 65 65 SER H H 65 8.198 8.198 8.303 -0.105 25848 331 1 1 . 1 1 66 66 GLY N N 66 110.671 110.671 113.487 -2.816 25848 332 1 1 . 1 1 66 66 GLY C C 66 174.634 174.634 174.553 0.081 25848 333 1 1 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.099 0.981 25848 334 1 1 . 1 1 66 66 GLY H H 66 8.675 8.675 8.836 -0.161 25848 335 1 1 . 1 1 67 67 ASN N N 67 118.608 118.608 117.670 0.938 25848 336 1 1 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.821 -0.159 25848 337 1 1 . 1 1 67 67 ASN C C 67 175.108 175.108 175.603 -0.495 25848 338 1 1 . 1 1 67 67 ASN CA C 67 52.755 52.755 53.897 -1.142 25848 339 1 1 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.529 -1.029 25848 340 1 1 . 1 1 67 67 ASN H H 67 8.374 8.374 8.305 0.069 25848 341 1 1 . 1 1 68 68 LYS N N 68 119.218 119.218 119.416 -0.198 25848 342 1 1 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.564 -0.234 25848 343 1 1 . 1 1 68 68 LYS C C 68 176.405 176.405 175.742 0.663 25848 344 1 1 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.218 1.189 25848 345 1 1 . 1 1 68 68 LYS CB C 68 33.907 33.907 33.907 -0.000 25848 346 1 1 . 1 1 68 68 LYS H H 68 7.816 7.816 7.676 0.140 25848 347 1 1 . 1 1 69 69 SER N N 69 115.165 115.165 115.636 -0.471 25848 348 1 1 . 1 1 69 69 SER HA H 69 4.615 4.615 4.416 0.199 25848 349 1 1 . 1 1 69 69 SER C C 69 174.381 174.381 173.968 0.413 25848 350 1 1 . 1 1 69 69 SER CA C 69 57.773 57.773 58.362 -0.589 25848 351 1 1 . 1 1 69 69 SER CB C 69 64.533 64.533 63.871 0.662 25848 352 1 1 . 1 1 69 69 SER H H 69 8.176 8.176 8.293 -0.117 25848 353 1 1 . 1 1 70 70 SER N N 70 121.583 121.583 117.405 4.178 25848 354 1 1 . 1 1 70 70 SER HA H 70 5.011 5.011 4.364 0.647 25848 355 1 1 . 1 1 70 70 SER C C 70 175.256 175.256 174.525 0.731 25848 356 1 1 . 1 1 70 70 SER CA C 70 58.455 58.455 58.749 -0.294 25848 357 1 1 . 1 1 70 70 SER CB C 70 63.987 63.987 62.984 1.003 25848 358 1 1 . 1 1 70 70 SER H H 70 9.539 9.539 8.284 1.255 25848 359 1 1 . 1 1 71 71 VAL N N 71 115.977 115.977 119.605 -3.628 25848 360 1 1 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.904 0.434 25848 361 1 1 . 1 1 71 71 VAL C C 71 176.220 176.220 175.104 1.116 25848 362 1 1 . 1 1 71 71 VAL CA C 71 58.655 58.655 59.707 -1.052 25848 363 1 1 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.692 2.730 25848 364 1 1 . 1 1 71 71 VAL H H 71 8.502 8.502 7.814 0.688 25848 365 1 1 . 1 1 72 72 CYS N N 72 120.794 120.794 118.755 2.039 25848 366 1 1 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.545 -0.520 25848 367 1 1 . 1 1 72 72 CYS C C 72 174.142 174.142 174.560 -0.418 25848 368 1 1 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.861 -3.396 25848 369 1 1 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.069 9.389 25848 370 1 1 . 1 1 72 72 CYS H H 72 8.557 8.557 8.077 0.480 25848 371 1 1 . 1 1 73 73 ALA N N 73 130.318 130.318 125.617 4.701 25848 372 1 1 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.766 -0.306 25848 373 1 1 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.503 0.094 25848 374 1 1 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.332 1.202 25848 375 1 1 . 1 1 73 73 ALA H H 73 9.629 9.629 8.785 0.844 25848 376 1 1 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.490 0.010 25848 377 1 1 . 1 1 74 74 PRO C C 74 176.504 176.504 176.891 -0.387 25848 378 1 1 . 1 1 74 74 PRO CA C 74 63.219 63.219 62.257 0.962 25848 379 1 1 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.507 -0.604 25848 380 1 1 . 1 1 75 75 ILE N N 75 122.019 122.019 114.598 7.421 25848 381 1 1 . 1 1 75 75 ILE HA H 75 3.944 3.944 3.976 -0.032 25848 382 1 1 . 1 1 75 75 ILE C C 75 175.793 175.793 176.103 -0.310 25848 383 1 1 . 1 1 75 75 ILE CA C 75 62.346 62.346 62.009 0.337 25848 384 1 1 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.936 1.033 25848 385 1 1 . 1 1 75 75 ILE H H 75 7.769 7.769 7.850 -0.081 25848 386 1 2 . 1 1 2 2 ASN HA H 2 4.711 4.711 5.005 -0.294 25848 387 1 2 . 1 1 2 2 ASN C C 2 174.785 174.785 173.603 1.182 25848 388 1 2 . 1 1 2 2 ASN CB C 2 38.820 38.820 40.196 -1.376 25848 389 1 2 . 1 1 3 3 GLU N N 3 121.744 121.744 121.710 0.034 25848 390 1 2 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.667 -0.319 25848 391 1 2 . 1 1 3 3 GLU C C 3 176.060 176.060 175.799 0.261 25848 392 1 2 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.271 -0.004 25848 393 1 2 . 1 1 3 3 GLU CB C 3 30.187 30.187 31.281 -1.094 25848 394 1 2 . 1 1 3 3 GLU H H 3 8.470 8.470 8.671 -0.201 25848 395 1 2 . 1 1 4 4 CYS N N 4 119.765 119.765 116.227 3.538 25848 396 1 2 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.761 0.036 25848 397 1 2 . 1 1 4 4 CYS C C 4 173.263 173.263 174.870 -1.607 25848 398 1 2 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.828 12.473 25848 399 1 2 . 1 1 4 4 CYS H H 4 8.317 8.317 8.409 -0.092 25848 400 1 2 . 1 1 5 5 ILE N N 5 122.940 122.940 123.260 -0.320 25848 401 1 2 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.138 -0.250 25848 402 1 2 . 1 1 5 5 ILE C C 5 173.890 173.890 176.114 -2.224 25848 403 1 2 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.643 0.873 25848 404 1 2 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.697 0.583 25848 405 1 2 . 1 1 5 5 ILE H H 5 8.912 8.912 8.186 0.726 25848 406 1 2 . 1 1 6 6 ARG N N 6 125.981 125.981 127.034 -1.053 25848 407 1 2 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.213 -0.351 25848 408 1 2 . 1 1 6 6 ARG C C 6 174.259 174.259 176.018 -1.759 25848 409 1 2 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.009 0.009 25848 410 1 2 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.578 1.199 25848 411 1 2 . 1 1 6 6 ARG H H 6 7.528 7.528 8.416 -0.888 25848 412 1 2 . 1 1 7 7 LYS N N 7 116.267 116.267 123.860 -7.593 25848 413 1 2 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.990 -0.704 25848 414 1 2 . 1 1 7 7 LYS C C 7 175.417 175.417 176.677 -1.260 25848 415 1 2 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.251 1.072 25848 416 1 2 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.833 -0.162 25848 417 1 2 . 1 1 7 7 LYS H H 7 7.558 7.558 8.425 -0.867 25848 418 1 2 . 1 1 8 8 TRP N N 8 115.300 115.300 123.130 -7.830 25848 419 1 2 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.327 -0.067 25848 420 1 2 . 1 1 8 8 TRP C C 8 175.069 175.069 175.320 -0.251 25848 421 1 2 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.428 -0.420 25848 422 1 2 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.730 0.957 25848 423 1 2 . 1 1 8 8 TRP H H 8 9.357 9.357 8.567 0.790 25848 424 1 2 . 1 1 9 9 LEU N N 9 120.240 120.240 119.607 0.633 25848 425 1 2 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.873 -0.176 25848 426 1 2 . 1 1 9 9 LEU C C 9 176.636 176.636 175.918 0.718 25848 427 1 2 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.180 -1.932 25848 428 1 2 . 1 1 9 9 LEU H H 9 7.701 7.701 8.001 -0.300 25848 429 1 2 . 1 1 10 10 SER N N 10 110.077 110.077 110.576 -0.499 25848 430 1 2 . 1 1 10 10 SER HA H 10 4.704 4.704 5.051 -0.347 25848 431 1 2 . 1 1 10 10 SER CB C 10 64.064 64.064 63.520 0.544 25848 432 1 2 . 1 1 10 10 SER H H 10 8.148 8.148 8.149 -0.001 25848 433 1 2 . 1 1 11 11 CYS N N 11 121.141 121.141 120.538 0.603 25848 434 1 2 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.871 -0.001 25848 435 1 2 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.954 16.077 25848 436 1 2 . 1 1 11 11 CYS H H 11 8.580 8.580 9.153 -0.573 25848 437 1 2 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.735 -0.170 25848 438 1 2 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.753 -0.556 25848 439 1 2 . 1 1 12 12 VAL H H 12 7.776 7.776 7.636 0.140 25848 440 1 2 . 1 1 15 15 LYS N N 15 117.195 117.195 122.498 -5.303 25848 441 1 2 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.145 0.214 25848 442 1 2 . 1 1 15 15 LYS C C 15 177.505 177.505 176.508 0.997 25848 443 1 2 . 1 1 15 15 LYS CA C 15 59.442 59.442 57.805 1.637 25848 444 1 2 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.392 0.179 25848 445 1 2 . 1 1 15 15 LYS H H 15 7.936 7.936 8.512 -0.576 25848 446 1 2 . 1 1 16 16 ASN N N 16 115.005 115.005 115.976 -0.971 25848 447 1 2 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.674 0.401 25848 448 1 2 . 1 1 16 16 ASN C C 16 176.707 176.707 174.581 2.126 25848 449 1 2 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.033 -1.023 25848 450 1 2 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.445 0.724 25848 451 1 2 . 1 1 16 16 ASN H H 16 8.644 8.644 8.325 0.319 25848 452 1 2 . 1 1 17 17 ASP N N 17 118.040 118.040 118.502 -0.462 25848 453 1 2 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.852 0.011 25848 454 1 2 . 1 1 17 17 ASP C C 17 176.756 176.756 176.018 0.738 25848 455 1 2 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.055 0.955 25848 456 1 2 . 1 1 17 17 ASP H H 17 7.592 7.592 7.857 -0.265 25848 457 1 2 . 1 1 18 18 CYS N N 18 119.499 119.499 117.968 1.531 25848 458 1 2 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.294 0.606 25848 459 1 2 . 1 1 18 18 CYS C C 18 176.186 176.186 174.516 1.670 25848 460 1 2 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.475 11.412 25848 461 1 2 . 1 1 18 18 CYS H H 18 8.729 8.729 8.235 0.494 25848 462 1 2 . 1 1 19 19 CYS N N 19 120.655 120.655 112.791 7.864 25848 463 1 2 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.410 0.005 25848 464 1 2 . 1 1 19 19 CYS C C 19 171.719 171.719 172.750 -1.031 25848 465 1 2 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.206 -3.637 25848 466 1 2 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.578 11.339 25848 467 1 2 . 1 1 19 19 CYS H H 19 9.086 9.086 8.318 0.768 25848 468 1 2 . 1 1 20 20 GLU N N 20 118.445 118.445 123.234 -4.789 25848 469 1 2 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.243 -0.312 25848 470 1 2 . 1 1 20 20 GLU C C 20 176.509 176.509 176.314 0.195 25848 471 1 2 . 1 1 20 20 GLU CA C 20 57.820 57.820 57.155 0.665 25848 472 1 2 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.562 0.341 25848 473 1 2 . 1 1 20 20 GLU H H 20 8.155 8.155 8.792 -0.637 25848 474 1 2 . 1 1 21 21 GLY N N 21 113.662 113.662 112.579 1.083 25848 475 1 2 . 1 1 21 21 GLY C C 21 172.614 172.614 172.847 -0.233 25848 476 1 2 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.368 -0.837 25848 477 1 2 . 1 1 21 21 GLY H H 21 8.719 8.719 8.404 0.315 25848 478 1 2 . 1 1 22 22 LEU N N 22 120.372 120.372 118.476 1.896 25848 479 1 2 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.228 -0.147 25848 480 1 2 . 1 1 22 22 LEU C C 22 174.927 174.927 175.815 -0.888 25848 481 1 2 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.317 -0.867 25848 482 1 2 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.211 -0.700 25848 483 1 2 . 1 1 22 22 LEU H H 22 7.641 7.641 7.155 0.486 25848 484 1 2 . 1 1 23 23 GLU N N 23 117.193 117.193 120.707 -3.514 25848 485 1 2 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.748 -0.040 25848 486 1 2 . 1 1 23 23 GLU C C 23 173.821 173.821 174.631 -0.810 25848 487 1 2 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.062 -0.730 25848 488 1 2 . 1 1 23 23 GLU CB C 23 32.486 32.486 34.558 -2.072 25848 489 1 2 . 1 1 23 23 GLU H H 23 9.299 9.299 8.923 0.376 25848 490 1 2 . 1 1 24 24 CYS N N 24 123.260 123.260 121.581 1.679 25848 491 1 2 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.547 0.254 25848 492 1 2 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.276 14.018 25848 493 1 2 . 1 1 24 24 CYS H H 24 8.953 8.953 8.656 0.297 25848 494 1 2 . 1 1 25 25 TYR N N 25 134.523 134.523 131.177 3.346 25848 495 1 2 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.578 0.235 25848 496 1 2 . 1 1 25 25 TYR C C 25 173.768 173.768 174.102 -0.334 25848 497 1 2 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.148 2.199 25848 498 1 2 . 1 1 25 25 TYR H H 25 9.338 9.338 8.815 0.523 25848 499 1 2 . 1 1 26 26 LYS N N 26 127.496 127.496 125.477 2.019 25848 500 1 2 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.352 -0.256 25848 501 1 2 . 1 1 26 26 LYS C C 26 174.360 174.360 175.003 -0.643 25848 502 1 2 . 1 1 26 26 LYS CA C 26 55.938 55.938 55.732 0.206 25848 503 1 2 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.557 -0.890 25848 504 1 2 . 1 1 26 26 LYS H H 26 8.176 8.176 7.980 0.196 25848 505 1 2 . 1 1 27 27 ARG N N 27 125.899 125.899 122.052 3.847 25848 506 1 2 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.521 -0.296 25848 507 1 2 . 1 1 27 27 ARG C C 27 174.385 174.385 176.194 -1.809 25848 508 1 2 . 1 1 27 27 ARG CA C 27 55.989 55.989 54.220 1.769 25848 509 1 2 . 1 1 27 27 ARG CB C 27 32.009 32.009 32.327 -0.318 25848 510 1 2 . 1 1 27 27 ARG H H 27 7.493 7.493 8.390 -0.897 25848 511 1 2 . 1 1 28 28 ARG N N 28 121.214 121.214 122.315 -1.101 25848 512 1 2 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.254 -0.342 25848 513 1 2 . 1 1 28 28 ARG C C 28 176.613 176.613 177.422 -0.809 25848 514 1 2 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.705 -0.091 25848 515 1 2 . 1 1 28 28 ARG CB C 28 29.675 29.675 29.951 -0.276 25848 516 1 2 . 1 1 28 28 ARG H H 28 8.519 8.519 8.661 -0.142 25848 517 1 2 . 1 1 29 29 HIS N N 29 116.413 116.413 118.363 -1.950 25848 518 1 2 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.663 -0.183 25848 519 1 2 . 1 1 29 29 HIS C C 29 174.166 174.166 175.923 -1.757 25848 520 1 2 . 1 1 29 29 HIS CA C 29 56.020 56.020 56.751 -0.731 25848 521 1 2 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.219 -2.085 25848 522 1 2 . 1 1 29 29 HIS H H 29 8.771 8.771 8.450 0.321 25848 523 1 2 . 1 1 30 30 SER N N 30 113.403 113.403 116.094 -2.691 25848 524 1 2 . 1 1 30 30 SER HA H 30 4.469 4.469 4.432 0.037 25848 525 1 2 . 1 1 30 30 SER C C 30 173.332 173.332 173.799 -0.467 25848 526 1 2 . 1 1 30 30 SER CA C 30 57.257 57.257 58.711 -1.454 25848 527 1 2 . 1 1 30 30 SER CB C 30 63.559 63.559 63.783 -0.224 25848 528 1 2 . 1 1 30 30 SER H H 30 7.826 7.826 8.022 -0.196 25848 529 1 2 . 1 1 31 31 PHE N N 31 118.662 118.662 118.165 0.497 25848 530 1 2 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.810 -0.017 25848 531 1 2 . 1 1 31 31 PHE CB C 31 40.312 40.312 40.481 -0.169 25848 532 1 2 . 1 1 31 31 PHE H H 31 7.801 7.801 7.442 0.359 25848 533 1 2 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.791 -0.181 25848 534 1 2 . 1 1 32 32 GLU CB C 32 30.289 30.289 29.868 0.421 25848 535 1 2 . 1 1 33 33 VAL N N 33 121.027 121.027 117.910 3.117 25848 536 1 2 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.739 0.362 25848 537 1 2 . 1 1 33 33 VAL C C 33 175.754 175.754 174.425 1.329 25848 538 1 2 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.497 -0.952 25848 539 1 2 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.702 1.762 25848 540 1 2 . 1 1 33 33 VAL H H 33 8.581 8.581 7.884 0.697 25848 541 1 2 . 1 1 34 34 CYS N N 34 119.365 119.365 121.020 -1.655 25848 542 1 2 . 1 1 34 34 CYS HA H 34 5.064 5.064 5.141 -0.077 25848 543 1 2 . 1 1 34 34 CYS C C 34 174.853 174.853 175.146 -0.293 25848 544 1 2 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.927 -5.232 25848 545 1 2 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.762 14.212 25848 546 1 2 . 1 1 34 34 CYS H H 34 7.968 7.968 8.811 -0.843 25848 547 1 2 . 1 1 35 35 VAL N N 35 122.141 122.141 117.397 4.744 25848 548 1 2 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.054 0.414 25848 549 1 2 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.790 0.240 25848 550 1 2 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.328 -0.112 25848 551 1 2 . 1 1 35 35 VAL H H 35 9.611 9.611 8.941 0.669 25848 552 1 2 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.693 -0.295 25848 553 1 2 . 1 1 36 36 PRO C C 36 176.509 176.509 176.499 0.010 25848 554 1 2 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.228 1.092 25848 555 1 2 . 1 1 36 36 PRO CB C 36 32.112 32.112 32.193 -0.081 25848 556 1 2 . 1 1 37 37 ILE N N 37 125.294 125.294 124.321 0.973 25848 557 1 2 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.465 -0.334 25848 558 1 2 . 1 1 37 37 ILE CA C 37 59.790 59.790 58.544 1.246 25848 559 1 2 . 1 1 37 37 ILE CB C 37 39.566 39.566 38.339 1.227 25848 560 1 2 . 1 1 37 37 ILE H H 37 7.927 7.927 8.051 -0.124 25848 561 1 2 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.498 -0.161 25848 562 1 2 . 1 1 38 38 PRO C C 38 177.800 177.800 177.886 -0.086 25848 563 1 2 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.540 0.554 25848 564 1 2 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.433 0.298 25848 565 1 2 . 1 1 39 39 GLY N N 39 112.745 112.745 113.007 -0.262 25848 566 1 2 . 1 1 39 39 GLY C C 39 174.463 174.463 174.131 0.332 25848 567 1 2 . 1 1 39 39 GLY CA C 39 45.463 45.463 44.714 0.749 25848 568 1 2 . 1 1 39 39 GLY H H 39 8.843 8.843 8.806 0.037 25848 569 1 2 . 1 1 40 40 PHE N N 40 120.803 120.803 121.197 -0.394 25848 570 1 2 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.459 -0.138 25848 571 1 2 . 1 1 40 40 PHE C C 40 174.706 174.706 174.813 -0.107 25848 572 1 2 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.053 0.615 25848 573 1 2 . 1 1 40 40 PHE CB C 40 39.815 39.815 39.980 -0.165 25848 574 1 2 . 1 1 40 40 PHE H H 40 7.762 7.762 7.666 0.096 25848 575 1 2 . 1 1 41 41 CYS N N 41 120.807 120.807 122.787 -1.980 25848 576 1 2 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.755 -0.181 25848 577 1 2 . 1 1 41 41 CYS C C 41 171.732 171.732 171.978 -0.246 25848 578 1 2 . 1 1 41 41 CYS CA C 41 53.666 53.666 56.614 -2.947 25848 579 1 2 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.047 14.062 25848 580 1 2 . 1 1 41 41 CYS H H 41 7.040 7.040 7.526 -0.486 25848 581 1 2 . 1 1 42 42 LEU N N 42 119.987 119.987 119.471 0.516 25848 582 1 2 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.866 -0.594 25848 583 1 2 . 1 1 42 42 LEU C C 42 173.872 173.872 176.242 -2.370 25848 584 1 2 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.286 0.717 25848 585 1 2 . 1 1 42 42 LEU CB C 42 43.826 43.826 45.017 -1.191 25848 586 1 2 . 1 1 42 42 LEU H H 42 8.728 8.728 8.173 0.555 25848 587 1 2 . 1 1 43 43 VAL N N 43 115.632 115.632 114.361 1.271 25848 588 1 2 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.426 -0.618 25848 589 1 2 . 1 1 43 43 VAL C C 43 173.751 173.751 175.853 -2.102 25848 590 1 2 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.470 -0.212 25848 591 1 2 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.300 -1.443 25848 592 1 2 . 1 1 43 43 VAL H H 43 7.192 7.192 8.044 -0.852 25848 593 1 2 . 1 1 44 44 LYS N N 44 117.023 117.023 116.999 0.024 25848 594 1 2 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.082 -0.852 25848 595 1 2 . 1 1 44 44 LYS C C 44 176.385 176.385 175.252 1.133 25848 596 1 2 . 1 1 44 44 LYS CA C 44 58.773 58.773 57.738 1.035 25848 597 1 2 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.809 0.222 25848 598 1 2 . 1 1 44 44 LYS H H 44 7.531 7.531 8.621 -1.090 25848 599 1 2 . 1 1 45 45 TRP N N 45 117.377 117.377 118.696 -1.319 25848 600 1 2 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.794 -0.347 25848 601 1 2 . 1 1 45 45 TRP C C 45 175.675 175.675 175.424 0.251 25848 602 1 2 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.350 1.671 25848 603 1 2 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.308 -2.313 25848 604 1 2 . 1 1 45 45 TRP H H 45 9.364 9.364 7.529 1.835 25848 605 1 2 . 1 1 46 46 LYS N N 46 119.913 119.913 119.903 0.010 25848 606 1 2 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.760 -0.370 25848 607 1 2 . 1 1 46 46 LYS C C 46 176.776 176.776 175.948 0.828 25848 608 1 2 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.714 0.447 25848 609 1 2 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.112 -1.446 25848 610 1 2 . 1 1 46 46 LYS H H 46 7.985 7.985 7.459 0.526 25848 611 1 2 . 1 1 47 47 GLN N N 47 121.031 121.031 120.125 0.906 25848 612 1 2 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.332 0.547 25848 613 1 2 . 1 1 47 47 GLN C C 47 177.118 177.118 176.738 0.380 25848 614 1 2 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.985 -0.430 25848 615 1 2 . 1 1 47 47 GLN H H 47 8.623 8.623 8.757 -0.134 25848 616 1 2 . 1 1 48 48 CYS N N 48 115.456 115.456 120.110 -4.654 25848 617 1 2 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.722 0.034 25848 618 1 2 . 1 1 48 48 CYS C C 48 173.978 173.978 175.412 -1.434 25848 619 1 2 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.137 14.852 25848 620 1 2 . 1 1 48 48 CYS H H 48 8.365 8.365 8.445 -0.080 25848 621 1 2 . 1 1 49 49 ASP N N 49 123.208 123.208 123.867 -0.659 25848 622 1 2 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.387 0.061 25848 623 1 2 . 1 1 49 49 ASP C C 49 177.773 177.773 177.427 0.346 25848 624 1 2 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.865 0.123 25848 625 1 2 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.902 0.178 25848 626 1 2 . 1 1 49 49 ASP H H 49 7.839 7.839 7.607 0.232 25848 627 1 2 . 1 1 50 50 GLY N N 50 115.583 115.583 114.787 0.796 25848 628 1 2 . 1 1 50 50 GLY C C 50 173.522 173.522 175.384 -1.862 25848 629 1 2 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.619 0.665 25848 630 1 2 . 1 1 50 50 GLY H H 50 9.371 9.371 8.859 0.512 25848 631 1 2 . 1 1 51 51 ARG N N 51 122.794 122.794 122.289 0.505 25848 632 1 2 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.650 0.008 25848 633 1 2 . 1 1 51 51 ARG C C 51 176.977 176.977 176.908 0.069 25848 634 1 2 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.484 0.267 25848 635 1 2 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.550 1.533 25848 636 1 2 . 1 1 51 51 ARG H H 51 8.199 8.199 8.072 0.127 25848 637 1 2 . 1 1 52 52 GLU N N 52 117.957 117.957 118.143 -0.186 25848 638 1 2 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.120 -0.046 25848 639 1 2 . 1 1 52 52 GLU C C 52 178.254 178.254 176.440 1.814 25848 640 1 2 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.592 2.638 25848 641 1 2 . 1 1 52 52 GLU CB C 52 28.808 28.808 28.987 -0.179 25848 642 1 2 . 1 1 52 52 GLU H H 52 8.992 8.992 8.644 0.348 25848 643 1 2 . 1 1 53 53 ARG N N 53 116.423 116.423 116.961 -0.538 25848 644 1 2 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.553 0.011 25848 645 1 2 . 1 1 53 53 ARG C C 53 177.327 177.327 175.332 1.995 25848 646 1 2 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.953 -0.473 25848 647 1 2 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.206 -0.941 25848 648 1 2 . 1 1 53 53 ARG H H 53 8.513 8.513 7.908 0.605 25848 649 1 2 . 1 1 54 54 ASP N N 54 118.043 118.043 120.171 -2.128 25848 650 1 2 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.847 -0.032 25848 651 1 2 . 1 1 54 54 ASP C C 54 176.941 176.941 175.249 1.692 25848 652 1 2 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.547 -2.800 25848 653 1 2 . 1 1 54 54 ASP H H 54 7.933 7.933 8.022 -0.089 25848 654 1 2 . 1 1 55 55 CYS N N 55 118.999 118.999 118.435 0.564 25848 655 1 2 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.184 0.793 25848 656 1 2 . 1 1 55 55 CYS C C 55 175.757 175.757 175.428 0.329 25848 657 1 2 . 1 1 55 55 CYS CA C 55 55.989 55.989 61.026 -5.037 25848 658 1 2 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.253 11.181 25848 659 1 2 . 1 1 55 55 CYS H H 55 8.222 8.222 7.605 0.617 25848 660 1 2 . 1 1 56 56 CYS N N 56 121.139 121.139 120.184 0.955 25848 661 1 2 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.316 0.018 25848 662 1 2 . 1 1 56 56 CYS C C 56 171.957 171.957 175.602 -3.645 25848 663 1 2 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.868 -5.377 25848 664 1 2 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.361 12.652 25848 665 1 2 . 1 1 56 56 CYS H H 56 8.999 8.999 8.100 0.899 25848 666 1 2 . 1 1 57 57 ALA N N 57 120.553 120.553 124.643 -4.090 25848 667 1 2 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.121 -0.048 25848 668 1 2 . 1 1 57 57 ALA C C 57 178.248 178.248 178.251 -0.003 25848 669 1 2 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.243 0.521 25848 670 1 2 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.326 0.071 25848 671 1 2 . 1 1 57 57 ALA H H 57 8.084 8.084 8.553 -0.469 25848 672 1 2 . 1 1 58 58 GLY N N 58 110.247 110.247 111.698 -1.451 25848 673 1 2 . 1 1 58 58 GLY C C 58 173.204 173.204 173.849 -0.645 25848 674 1 2 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.745 0.013 25848 675 1 2 . 1 1 58 58 GLY H H 58 8.713 8.713 8.579 0.134 25848 676 1 2 . 1 1 59 59 LEU N N 59 120.155 120.155 121.585 -1.430 25848 677 1 2 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.547 0.419 25848 678 1 2 . 1 1 59 59 LEU C C 59 175.349 175.349 176.064 -0.715 25848 679 1 2 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.811 -2.366 25848 680 1 2 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.386 1.099 25848 681 1 2 . 1 1 59 59 LEU H H 59 7.901 7.901 7.380 0.521 25848 682 1 2 . 1 1 60 60 GLU N N 60 117.726 117.726 114.975 2.751 25848 683 1 2 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.511 0.168 25848 684 1 2 . 1 1 60 60 GLU C C 60 174.016 174.016 174.587 -0.571 25848 685 1 2 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.230 0.365 25848 686 1 2 . 1 1 60 60 GLU H H 60 9.145 9.145 8.167 0.978 25848 687 1 2 . 1 1 61 61 CYS N N 61 122.299 122.299 121.882 0.417 25848 688 1 2 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.530 0.316 25848 689 1 2 . 1 1 61 61 CYS C C 61 173.374 173.374 174.835 -1.461 25848 690 1 2 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.565 13.909 25848 691 1 2 . 1 1 61 61 CYS H H 61 9.064 9.064 8.912 0.152 25848 692 1 2 . 1 1 62 62 TRP N N 62 135.668 135.668 131.072 4.596 25848 693 1 2 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.600 0.298 25848 694 1 2 . 1 1 62 62 TRP C C 62 174.430 174.430 174.564 -0.134 25848 695 1 2 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.747 0.719 25848 696 1 2 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.793 0.192 25848 697 1 2 . 1 1 62 62 TRP H H 62 9.434 9.434 8.646 0.788 25848 698 1 2 . 1 1 63 63 LYS N N 63 128.624 128.624 128.466 0.158 25848 699 1 2 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.424 -0.077 25848 700 1 2 . 1 1 63 63 LYS C C 63 175.409 175.409 175.708 -0.299 25848 701 1 2 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.112 0.509 25848 702 1 2 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.643 -0.125 25848 703 1 2 . 1 1 63 63 LYS H H 63 8.392 8.392 8.663 -0.271 25848 704 1 2 . 1 1 64 64 ARG N N 64 125.507 125.507 124.945 0.562 25848 705 1 2 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.404 -0.469 25848 706 1 2 . 1 1 64 64 ARG C C 64 175.704 175.704 174.924 0.780 25848 707 1 2 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.282 0.572 25848 708 1 2 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.600 -0.104 25848 709 1 2 . 1 1 64 64 ARG H H 64 7.877 7.877 8.085 -0.208 25848 710 1 2 . 1 1 65 65 SER N N 65 115.709 115.709 118.154 -2.445 25848 711 1 2 . 1 1 65 65 SER HA H 65 4.306 4.306 4.766 -0.460 25848 712 1 2 . 1 1 65 65 SER C C 65 175.289 175.289 175.083 0.206 25848 713 1 2 . 1 1 65 65 SER CA C 65 58.778 58.778 57.481 1.297 25848 714 1 2 . 1 1 65 65 SER CB C 65 63.667 63.667 64.878 -1.211 25848 715 1 2 . 1 1 65 65 SER H H 65 8.198 8.198 8.274 -0.076 25848 716 1 2 . 1 1 66 66 GLY N N 66 110.671 110.671 113.288 -2.617 25848 717 1 2 . 1 1 66 66 GLY C C 66 174.634 174.634 174.537 0.097 25848 718 1 2 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.115 0.965 25848 719 1 2 . 1 1 66 66 GLY H H 66 8.675 8.675 8.780 -0.105 25848 720 1 2 . 1 1 67 67 ASN N N 67 118.608 118.608 117.918 0.690 25848 721 1 2 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.820 -0.158 25848 722 1 2 . 1 1 67 67 ASN C C 67 175.108 175.108 175.660 -0.552 25848 723 1 2 . 1 1 67 67 ASN CA C 67 52.755 52.755 53.787 -1.032 25848 724 1 2 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.979 -1.479 25848 725 1 2 . 1 1 67 67 ASN H H 67 8.374 8.374 8.362 0.012 25848 726 1 2 . 1 1 68 68 LYS N N 68 119.218 119.218 119.143 0.075 25848 727 1 2 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.457 -0.127 25848 728 1 2 . 1 1 68 68 LYS C C 68 176.405 176.405 175.268 1.137 25848 729 1 2 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.445 0.962 25848 730 1 2 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.377 -0.470 25848 731 1 2 . 1 1 68 68 LYS H H 68 7.816 7.816 7.614 0.202 25848 732 1 2 . 1 1 69 69 SER N N 69 115.165 115.165 115.609 -0.444 25848 733 1 2 . 1 1 69 69 SER HA H 69 4.615 4.615 4.337 0.278 25848 734 1 2 . 1 1 69 69 SER C C 69 174.381 174.381 174.184 0.197 25848 735 1 2 . 1 1 69 69 SER CA C 69 57.773 57.773 58.745 -0.972 25848 736 1 2 . 1 1 69 69 SER CB C 69 64.533 64.533 63.735 0.798 25848 737 1 2 . 1 1 69 69 SER H H 69 8.176 8.176 8.312 -0.136 25848 738 1 2 . 1 1 70 70 SER N N 70 121.583 121.583 117.048 4.535 25848 739 1 2 . 1 1 70 70 SER HA H 70 5.011 5.011 4.382 0.629 25848 740 1 2 . 1 1 70 70 SER C C 70 175.256 175.256 174.493 0.763 25848 741 1 2 . 1 1 70 70 SER CA C 70 58.455 58.455 58.820 -0.365 25848 742 1 2 . 1 1 70 70 SER CB C 70 63.987 63.987 62.734 1.253 25848 743 1 2 . 1 1 70 70 SER H H 70 9.539 9.539 8.305 1.234 25848 744 1 2 . 1 1 71 71 VAL N N 71 115.977 115.977 116.798 -0.821 25848 745 1 2 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.871 0.467 25848 746 1 2 . 1 1 71 71 VAL C C 71 176.220 176.220 174.966 1.254 25848 747 1 2 . 1 1 71 71 VAL CA C 71 58.655 58.655 58.785 -0.130 25848 748 1 2 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.508 2.913 25848 749 1 2 . 1 1 71 71 VAL H H 71 8.502 8.502 7.917 0.585 25848 750 1 2 . 1 1 72 72 CYS N N 72 120.794 120.794 118.821 1.973 25848 751 1 2 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.498 -0.473 25848 752 1 2 . 1 1 72 72 CYS C C 72 174.142 174.142 174.510 -0.368 25848 753 1 2 . 1 1 72 72 CYS CA C 72 54.465 54.465 58.212 -3.748 25848 754 1 2 . 1 1 72 72 CYS CB C 72 38.458 38.458 28.636 9.822 25848 755 1 2 . 1 1 72 72 CYS H H 72 8.557 8.557 8.116 0.441 25848 756 1 2 . 1 1 73 73 ALA N N 73 130.318 130.318 125.473 4.845 25848 757 1 2 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.666 -0.206 25848 758 1 2 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.543 0.054 25848 759 1 2 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.588 0.946 25848 760 1 2 . 1 1 73 73 ALA H H 73 9.629 9.629 8.593 1.036 25848 761 1 2 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.469 0.031 25848 762 1 2 . 1 1 74 74 PRO C C 74 176.504 176.504 176.552 -0.048 25848 763 1 2 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.935 1.284 25848 764 1 2 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.344 -0.441 25848 765 1 2 . 1 1 75 75 ILE N N 75 122.019 122.019 114.917 7.102 25848 766 1 2 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.050 -0.106 25848 767 1 2 . 1 1 75 75 ILE C C 75 175.793 175.793 175.896 -0.103 25848 768 1 2 . 1 1 75 75 ILE CA C 75 62.346 62.346 62.164 0.182 25848 769 1 2 . 1 1 75 75 ILE CB C 75 38.969 38.969 38.151 0.818 25848 770 1 2 . 1 1 75 75 ILE H H 75 7.769 7.769 8.159 -0.390 25848 771 1 3 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.765 -0.054 25848 772 1 3 . 1 1 2 2 ASN C C 2 174.785 174.785 174.272 0.513 25848 773 1 3 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.665 -0.845 25848 774 1 3 . 1 1 3 3 GLU N N 3 121.744 121.744 121.357 0.387 25848 775 1 3 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.424 -0.076 25848 776 1 3 . 1 1 3 3 GLU C C 3 176.060 176.060 176.406 -0.346 25848 777 1 3 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.134 0.133 25848 778 1 3 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.403 -0.216 25848 779 1 3 . 1 1 3 3 GLU H H 3 8.470 8.470 8.500 -0.030 25848 780 1 3 . 1 1 4 4 CYS N N 4 119.765 119.765 116.475 3.290 25848 781 1 3 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.659 0.138 25848 782 1 3 . 1 1 4 4 CYS C C 4 173.263 173.263 175.153 -1.890 25848 783 1 3 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.922 12.379 25848 784 1 3 . 1 1 4 4 CYS H H 4 8.317 8.317 8.436 -0.119 25848 785 1 3 . 1 1 5 5 ILE N N 5 122.940 122.940 122.931 0.009 25848 786 1 3 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.029 -0.141 25848 787 1 3 . 1 1 5 5 ILE C C 5 173.890 173.890 176.079 -2.189 25848 788 1 3 . 1 1 5 5 ILE CA C 5 62.516 62.516 62.222 0.293 25848 789 1 3 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.588 0.692 25848 790 1 3 . 1 1 5 5 ILE H H 5 8.912 8.912 8.101 0.811 25848 791 1 3 . 1 1 6 6 ARG N N 6 125.981 125.981 127.040 -1.059 25848 792 1 3 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.232 -0.370 25848 793 1 3 . 1 1 6 6 ARG C C 6 174.259 174.259 176.004 -1.745 25848 794 1 3 . 1 1 6 6 ARG CA C 6 56.018 56.018 55.877 0.141 25848 795 1 3 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.509 1.268 25848 796 1 3 . 1 1 6 6 ARG H H 6 7.528 7.528 8.318 -0.790 25848 797 1 3 . 1 1 7 7 LYS N N 7 116.267 116.267 123.967 -7.700 25848 798 1 3 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.887 -0.601 25848 799 1 3 . 1 1 7 7 LYS C C 7 175.417 175.417 176.936 -1.519 25848 800 1 3 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.708 0.615 25848 801 1 3 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.672 -0.001 25848 802 1 3 . 1 1 7 7 LYS H H 7 7.558 7.558 8.425 -0.867 25848 803 1 3 . 1 1 8 8 TRP N N 8 115.300 115.300 123.222 -7.922 25848 804 1 3 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.261 -0.001 25848 805 1 3 . 1 1 8 8 TRP C C 8 175.069 175.069 175.260 -0.191 25848 806 1 3 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.011 -0.003 25848 807 1 3 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.961 0.726 25848 808 1 3 . 1 1 8 8 TRP H H 8 9.357 9.357 8.423 0.934 25848 809 1 3 . 1 1 9 9 LEU N N 9 120.240 120.240 120.450 -0.210 25848 810 1 3 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.874 -0.177 25848 811 1 3 . 1 1 9 9 LEU C C 9 176.636 176.636 175.797 0.839 25848 812 1 3 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.184 -1.935 25848 813 1 3 . 1 1 9 9 LEU H H 9 7.701 7.701 7.856 -0.155 25848 814 1 3 . 1 1 10 10 SER N N 10 110.077 110.077 110.489 -0.412 25848 815 1 3 . 1 1 10 10 SER HA H 10 4.704 4.704 4.707 -0.003 25848 816 1 3 . 1 1 10 10 SER CB C 10 64.064 64.064 63.944 0.120 25848 817 1 3 . 1 1 10 10 SER H H 10 8.148 8.148 8.007 0.141 25848 818 1 3 . 1 1 11 11 CYS N N 11 121.141 121.141 123.339 -2.198 25848 819 1 3 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.816 0.054 25848 820 1 3 . 1 1 11 11 CYS CB C 11 44.031 44.031 28.025 16.006 25848 821 1 3 . 1 1 11 11 CYS H H 11 8.580 8.580 8.656 -0.076 25848 822 1 3 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.617 -0.052 25848 823 1 3 . 1 1 12 12 VAL CA C 12 65.197 65.197 66.225 -1.028 25848 824 1 3 . 1 1 12 12 VAL H H 12 7.776 7.776 8.019 -0.243 25848 825 1 3 . 1 1 15 15 LYS N N 15 117.195 117.195 123.041 -5.846 25848 826 1 3 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.129 0.230 25848 827 1 3 . 1 1 15 15 LYS C C 15 177.505 177.505 177.596 -0.091 25848 828 1 3 . 1 1 15 15 LYS CA C 15 59.442 59.442 57.993 1.449 25848 829 1 3 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.089 0.482 25848 830 1 3 . 1 1 15 15 LYS H H 15 7.936 7.936 8.510 -0.574 25848 831 1 3 . 1 1 16 16 ASN N N 16 115.005 115.005 117.505 -2.500 25848 832 1 3 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.594 0.481 25848 833 1 3 . 1 1 16 16 ASN C C 16 176.707 176.707 174.873 1.834 25848 834 1 3 . 1 1 16 16 ASN CA C 16 53.010 53.010 55.055 -2.045 25848 835 1 3 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.224 0.945 25848 836 1 3 . 1 1 16 16 ASN H H 16 8.644 8.644 8.567 0.077 25848 837 1 3 . 1 1 17 17 ASP N N 17 118.040 118.040 117.560 0.480 25848 838 1 3 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.824 0.039 25848 839 1 3 . 1 1 17 17 ASP C C 17 176.756 176.756 175.747 1.009 25848 840 1 3 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.342 0.668 25848 841 1 3 . 1 1 17 17 ASP H H 17 7.592 7.592 7.715 -0.123 25848 842 1 3 . 1 1 18 18 CYS N N 18 119.499 119.499 117.752 1.747 25848 843 1 3 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.234 0.666 25848 844 1 3 . 1 1 18 18 CYS C C 18 176.186 176.186 174.299 1.887 25848 845 1 3 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.617 11.270 25848 846 1 3 . 1 1 18 18 CYS H H 18 8.729 8.729 7.611 1.118 25848 847 1 3 . 1 1 19 19 CYS N N 19 120.655 120.655 112.823 7.832 25848 848 1 3 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.374 0.041 25848 849 1 3 . 1 1 19 19 CYS C C 19 171.719 171.719 172.739 -1.020 25848 850 1 3 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.067 -3.498 25848 851 1 3 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.742 11.175 25848 852 1 3 . 1 1 19 19 CYS H H 19 9.086 9.086 8.022 1.064 25848 853 1 3 . 1 1 20 20 GLU N N 20 118.445 118.445 122.496 -4.051 25848 854 1 3 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.286 -0.355 25848 855 1 3 . 1 1 20 20 GLU C C 20 176.509 176.509 176.775 -0.266 25848 856 1 3 . 1 1 20 20 GLU CA C 20 57.820 57.820 57.107 0.713 25848 857 1 3 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.601 0.302 25848 858 1 3 . 1 1 20 20 GLU H H 20 8.155 8.155 8.784 -0.629 25848 859 1 3 . 1 1 21 21 GLY N N 21 113.662 113.662 113.062 0.600 25848 860 1 3 . 1 1 21 21 GLY C C 21 172.614 172.614 172.567 0.047 25848 861 1 3 . 1 1 21 21 GLY CA C 21 43.531 43.531 43.986 -0.455 25848 862 1 3 . 1 1 21 21 GLY H H 21 8.719 8.719 8.675 0.044 25848 863 1 3 . 1 1 22 22 LEU N N 22 120.372 120.372 118.397 1.975 25848 864 1 3 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.232 -0.151 25848 865 1 3 . 1 1 22 22 LEU C C 22 174.927 174.927 175.901 -0.974 25848 866 1 3 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.153 -0.703 25848 867 1 3 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.836 -1.325 25848 868 1 3 . 1 1 22 22 LEU H H 22 7.641 7.641 7.175 0.466 25848 869 1 3 . 1 1 23 23 GLU N N 23 117.193 117.193 118.677 -1.484 25848 870 1 3 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.684 0.024 25848 871 1 3 . 1 1 23 23 GLU C C 23 173.821 173.821 174.475 -0.654 25848 872 1 3 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.517 -1.185 25848 873 1 3 . 1 1 23 23 GLU CB C 23 32.486 32.486 34.576 -2.090 25848 874 1 3 . 1 1 23 23 GLU H H 23 9.299 9.299 8.707 0.592 25848 875 1 3 . 1 1 24 24 CYS N N 24 123.260 123.260 120.401 2.859 25848 876 1 3 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.454 0.347 25848 877 1 3 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.419 13.876 25848 878 1 3 . 1 1 24 24 CYS H H 24 8.953 8.953 8.537 0.416 25848 879 1 3 . 1 1 25 25 TYR N N 25 134.523 134.523 128.819 5.704 25848 880 1 3 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.634 0.179 25848 881 1 3 . 1 1 25 25 TYR C C 25 173.768 173.768 174.566 -0.798 25848 882 1 3 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.241 2.105 25848 883 1 3 . 1 1 25 25 TYR H H 25 9.338 9.338 8.116 1.222 25848 884 1 3 . 1 1 26 26 LYS N N 26 127.496 127.496 125.346 2.150 25848 885 1 3 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.214 -0.118 25848 886 1 3 . 1 1 26 26 LYS C C 26 174.360 174.360 175.150 -0.790 25848 887 1 3 . 1 1 26 26 LYS CA C 26 55.938 55.938 56.026 -0.088 25848 888 1 3 . 1 1 26 26 LYS CB C 26 32.667 32.667 32.346 0.321 25848 889 1 3 . 1 1 26 26 LYS H H 26 8.176 8.176 7.461 0.715 25848 890 1 3 . 1 1 27 27 ARG N N 27 125.899 125.899 125.880 0.019 25848 891 1 3 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.545 -0.320 25848 892 1 3 . 1 1 27 27 ARG C C 27 174.385 174.385 175.777 -1.392 25848 893 1 3 . 1 1 27 27 ARG CA C 27 55.989 55.989 55.433 0.556 25848 894 1 3 . 1 1 27 27 ARG CB C 27 32.009 32.009 32.200 -0.191 25848 895 1 3 . 1 1 27 27 ARG H H 27 7.493 7.493 8.475 -0.982 25848 896 1 3 . 1 1 28 28 ARG N N 28 121.214 121.214 123.088 -1.874 25848 897 1 3 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.360 -0.448 25848 898 1 3 . 1 1 28 28 ARG C C 28 176.613 176.613 177.306 -0.693 25848 899 1 3 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.176 0.438 25848 900 1 3 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.792 -1.117 25848 901 1 3 . 1 1 28 28 ARG H H 28 8.519 8.519 8.640 -0.121 25848 902 1 3 . 1 1 29 29 HIS N N 29 116.413 116.413 118.595 -2.182 25848 903 1 3 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.460 0.020 25848 904 1 3 . 1 1 29 29 HIS C C 29 174.166 174.166 175.073 -0.907 25848 905 1 3 . 1 1 29 29 HIS CA C 29 56.020 56.020 57.438 -1.418 25848 906 1 3 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.201 -2.067 25848 907 1 3 . 1 1 29 29 HIS H H 29 8.771 8.771 8.396 0.375 25848 908 1 3 . 1 1 30 30 SER N N 30 113.403 113.403 113.274 0.129 25848 909 1 3 . 1 1 30 30 SER HA H 30 4.469 4.469 4.609 -0.140 25848 910 1 3 . 1 1 30 30 SER C C 30 173.332 173.332 173.360 -0.028 25848 911 1 3 . 1 1 30 30 SER CA C 30 57.257 57.257 57.193 0.064 25848 912 1 3 . 1 1 30 30 SER CB C 30 63.559 63.559 65.047 -1.488 25848 913 1 3 . 1 1 30 30 SER H H 30 7.826 7.826 7.765 0.061 25848 914 1 3 . 1 1 31 31 PHE N N 31 118.662 118.662 120.801 -2.139 25848 915 1 3 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.514 0.279 25848 916 1 3 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.277 1.035 25848 917 1 3 . 1 1 31 31 PHE H H 31 7.801 7.801 8.565 -0.764 25848 918 1 3 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.400 0.210 25848 919 1 3 . 1 1 32 32 GLU CB C 32 30.289 30.289 30.400 -0.111 25848 920 1 3 . 1 1 33 33 VAL N N 33 121.027 121.027 115.920 5.107 25848 921 1 3 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.638 0.463 25848 922 1 3 . 1 1 33 33 VAL C C 33 175.754 175.754 175.061 0.693 25848 923 1 3 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.705 -1.160 25848 924 1 3 . 1 1 33 33 VAL CB C 33 37.464 37.464 34.833 2.631 25848 925 1 3 . 1 1 33 33 VAL H H 33 8.581 8.581 8.089 0.492 25848 926 1 3 . 1 1 34 34 CYS N N 34 119.365 119.365 118.853 0.512 25848 927 1 3 . 1 1 34 34 CYS HA H 34 5.064 5.064 5.002 0.062 25848 928 1 3 . 1 1 34 34 CYS C C 34 174.853 174.853 175.227 -0.374 25848 929 1 3 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.626 -4.931 25848 930 1 3 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.915 14.059 25848 931 1 3 . 1 1 34 34 CYS H H 34 7.968 7.968 8.624 -0.656 25848 932 1 3 . 1 1 35 35 VAL N N 35 122.141 122.141 115.921 6.220 25848 933 1 3 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.208 0.260 25848 934 1 3 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.821 0.209 25848 935 1 3 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.937 -0.721 25848 936 1 3 . 1 1 35 35 VAL H H 35 9.611 9.611 8.885 0.726 25848 937 1 3 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.623 -0.225 25848 938 1 3 . 1 1 36 36 PRO C C 36 176.509 176.509 176.641 -0.132 25848 939 1 3 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.289 1.031 25848 940 1 3 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.919 0.193 25848 941 1 3 . 1 1 37 37 ILE N N 37 125.294 125.294 125.538 -0.244 25848 942 1 3 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.381 -0.250 25848 943 1 3 . 1 1 37 37 ILE CA C 37 59.790 59.790 58.852 0.938 25848 944 1 3 . 1 1 37 37 ILE CB C 37 39.566 39.566 37.856 1.710 25848 945 1 3 . 1 1 37 37 ILE H H 37 7.927 7.927 7.845 0.082 25848 946 1 3 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.547 -0.210 25848 947 1 3 . 1 1 38 38 PRO C C 38 177.800 177.800 177.549 0.251 25848 948 1 3 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.589 0.505 25848 949 1 3 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.974 -0.243 25848 950 1 3 . 1 1 39 39 GLY N N 39 112.745 112.745 112.399 0.346 25848 951 1 3 . 1 1 39 39 GLY C C 39 174.463 174.463 174.815 -0.352 25848 952 1 3 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.207 0.256 25848 953 1 3 . 1 1 39 39 GLY H H 39 8.843 8.843 8.494 0.349 25848 954 1 3 . 1 1 40 40 PHE N N 40 120.803 120.803 120.216 0.587 25848 955 1 3 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.466 -0.145 25848 956 1 3 . 1 1 40 40 PHE C C 40 174.706 174.706 174.687 0.019 25848 957 1 3 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.184 0.483 25848 958 1 3 . 1 1 40 40 PHE CB C 40 39.815 39.815 40.054 -0.239 25848 959 1 3 . 1 1 40 40 PHE H H 40 7.762 7.762 7.550 0.212 25848 960 1 3 . 1 1 41 41 CYS N N 41 120.807 120.807 120.951 -0.144 25848 961 1 3 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.740 -0.166 25848 962 1 3 . 1 1 41 41 CYS C C 41 171.732 171.732 171.826 -0.094 25848 963 1 3 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.153 -1.487 25848 964 1 3 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.951 13.158 25848 965 1 3 . 1 1 41 41 CYS H H 41 7.040 7.040 7.336 -0.296 25848 966 1 3 . 1 1 42 42 LEU N N 42 119.987 119.987 119.821 0.166 25848 967 1 3 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.797 -0.525 25848 968 1 3 . 1 1 42 42 LEU C C 42 173.872 173.872 175.979 -2.107 25848 969 1 3 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.153 0.850 25848 970 1 3 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.329 -0.503 25848 971 1 3 . 1 1 42 42 LEU H H 42 8.728 8.728 8.133 0.595 25848 972 1 3 . 1 1 43 43 VAL N N 43 115.632 115.632 114.526 1.106 25848 973 1 3 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.499 -0.691 25848 974 1 3 . 1 1 43 43 VAL C C 43 173.751 173.751 175.957 -2.206 25848 975 1 3 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.373 -0.115 25848 976 1 3 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.371 -1.514 25848 977 1 3 . 1 1 43 43 VAL H H 43 7.192 7.192 8.222 -1.030 25848 978 1 3 . 1 1 44 44 LYS N N 44 117.023 117.023 115.668 1.355 25848 979 1 3 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.174 -0.944 25848 980 1 3 . 1 1 44 44 LYS C C 44 176.385 176.385 175.088 1.297 25848 981 1 3 . 1 1 44 44 LYS CA C 44 58.773 58.773 57.843 0.930 25848 982 1 3 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.902 0.129 25848 983 1 3 . 1 1 44 44 LYS H H 44 7.531 7.531 8.699 -1.168 25848 984 1 3 . 1 1 45 45 TRP N N 45 117.377 117.377 117.825 -0.448 25848 985 1 3 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.801 -0.354 25848 986 1 3 . 1 1 45 45 TRP C C 45 175.675 175.675 175.534 0.141 25848 987 1 3 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.372 1.649 25848 988 1 3 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.264 -2.269 25848 989 1 3 . 1 1 45 45 TRP H H 45 9.364 9.364 7.610 1.754 25848 990 1 3 . 1 1 46 46 LYS N N 46 119.913 119.913 119.999 -0.086 25848 991 1 3 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.799 -0.409 25848 992 1 3 . 1 1 46 46 LYS C C 46 176.776 176.776 176.174 0.602 25848 993 1 3 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.721 0.440 25848 994 1 3 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.541 -1.875 25848 995 1 3 . 1 1 46 46 LYS H H 46 7.985 7.985 7.490 0.495 25848 996 1 3 . 1 1 47 47 GLN N N 47 121.031 121.031 120.124 0.907 25848 997 1 3 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.329 0.550 25848 998 1 3 . 1 1 47 47 GLN C C 47 177.118 177.118 176.828 0.290 25848 999 1 3 . 1 1 47 47 GLN CB C 47 28.555 28.555 29.024 -0.469 25848 1000 1 3 . 1 1 47 47 GLN H H 47 8.623 8.623 8.795 -0.172 25848 1001 1 3 . 1 1 48 48 CYS N N 48 115.456 115.456 119.950 -4.494 25848 1002 1 3 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.716 0.040 25848 1003 1 3 . 1 1 48 48 CYS C C 48 173.978 173.978 175.427 -1.449 25848 1004 1 3 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.250 14.739 25848 1005 1 3 . 1 1 48 48 CYS H H 48 8.365 8.365 8.545 -0.180 25848 1006 1 3 . 1 1 49 49 ASP N N 49 123.208 123.208 123.781 -0.573 25848 1007 1 3 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.353 0.095 25848 1008 1 3 . 1 1 49 49 ASP C C 49 177.773 177.773 177.351 0.422 25848 1009 1 3 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.449 0.539 25848 1010 1 3 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.923 0.157 25848 1011 1 3 . 1 1 49 49 ASP H H 49 7.839 7.839 7.655 0.184 25848 1012 1 3 . 1 1 50 50 GLY N N 50 115.583 115.583 115.497 0.086 25848 1013 1 3 . 1 1 50 50 GLY C C 50 173.522 173.522 175.227 -1.705 25848 1014 1 3 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.667 0.617 25848 1015 1 3 . 1 1 50 50 GLY H H 50 9.371 9.371 8.884 0.487 25848 1016 1 3 . 1 1 51 51 ARG N N 51 122.794 122.794 120.324 2.470 25848 1017 1 3 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.721 -0.063 25848 1018 1 3 . 1 1 51 51 ARG C C 51 176.977 176.977 176.265 0.712 25848 1019 1 3 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.587 0.164 25848 1020 1 3 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.766 1.317 25848 1021 1 3 . 1 1 51 51 ARG H H 51 8.199 8.199 7.878 0.321 25848 1022 1 3 . 1 1 52 52 GLU N N 52 117.957 117.957 117.311 0.646 25848 1023 1 3 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.099 -0.025 25848 1024 1 3 . 1 1 52 52 GLU C C 52 178.254 178.254 176.960 1.294 25848 1025 1 3 . 1 1 52 52 GLU CA C 52 61.230 61.230 59.161 2.069 25848 1026 1 3 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.591 -0.783 25848 1027 1 3 . 1 1 52 52 GLU H H 52 8.992 8.992 8.493 0.499 25848 1028 1 3 . 1 1 53 53 ARG N N 53 116.423 116.423 116.839 -0.416 25848 1029 1 3 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.454 0.110 25848 1030 1 3 . 1 1 53 53 ARG C C 53 177.327 177.327 176.412 0.915 25848 1031 1 3 . 1 1 53 53 ARG CA C 53 55.480 55.480 56.779 -1.298 25848 1032 1 3 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.349 -1.084 25848 1033 1 3 . 1 1 53 53 ARG H H 53 8.513 8.513 8.104 0.409 25848 1034 1 3 . 1 1 54 54 ASP N N 54 118.043 118.043 119.386 -1.343 25848 1035 1 3 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.509 0.306 25848 1036 1 3 . 1 1 54 54 ASP C C 54 176.941 176.941 176.583 0.358 25848 1037 1 3 . 1 1 54 54 ASP CB C 54 40.747 40.747 41.100 -0.353 25848 1038 1 3 . 1 1 54 54 ASP H H 54 7.933 7.933 8.172 -0.239 25848 1039 1 3 . 1 1 55 55 CYS N N 55 118.999 118.999 116.910 2.089 25848 1040 1 3 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.143 0.834 25848 1041 1 3 . 1 1 55 55 CYS C C 55 175.757 175.757 175.600 0.157 25848 1042 1 3 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.829 -4.840 25848 1043 1 3 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.232 11.202 25848 1044 1 3 . 1 1 55 55 CYS H H 55 8.222 8.222 7.524 0.698 25848 1045 1 3 . 1 1 56 56 CYS N N 56 121.139 121.139 120.663 0.476 25848 1046 1 3 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.320 0.014 25848 1047 1 3 . 1 1 56 56 CYS C C 56 171.957 171.957 175.564 -3.607 25848 1048 1 3 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.825 -5.334 25848 1049 1 3 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.388 12.625 25848 1050 1 3 . 1 1 56 56 CYS H H 56 8.999 8.999 8.211 0.787 25848 1051 1 3 . 1 1 57 57 ALA N N 57 120.553 120.553 124.166 -3.613 25848 1052 1 3 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.166 -0.093 25848 1053 1 3 . 1 1 57 57 ALA C C 57 178.248 178.248 178.362 -0.114 25848 1054 1 3 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.147 0.617 25848 1055 1 3 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.597 -0.200 25848 1056 1 3 . 1 1 57 57 ALA H H 57 8.084 8.084 8.518 -0.433 25848 1057 1 3 . 1 1 58 58 GLY N N 58 110.247 110.247 112.384 -2.137 25848 1058 1 3 . 1 1 58 58 GLY C C 58 173.204 173.204 174.386 -1.182 25848 1059 1 3 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.853 -0.095 25848 1060 1 3 . 1 1 58 58 GLY H H 58 8.713 8.713 8.574 0.139 25848 1061 1 3 . 1 1 59 59 LEU N N 59 120.155 120.155 121.389 -1.234 25848 1062 1 3 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.572 0.394 25848 1063 1 3 . 1 1 59 59 LEU C C 59 175.349 175.349 176.051 -0.702 25848 1064 1 3 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.669 -2.224 25848 1065 1 3 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.482 1.002 25848 1066 1 3 . 1 1 59 59 LEU H H 59 7.901 7.901 7.399 0.502 25848 1067 1 3 . 1 1 60 60 GLU N N 60 117.726 117.726 114.673 3.053 25848 1068 1 3 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.495 0.184 25848 1069 1 3 . 1 1 60 60 GLU C C 60 174.016 174.016 174.731 -0.715 25848 1070 1 3 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.282 0.313 25848 1071 1 3 . 1 1 60 60 GLU H H 60 9.145 9.145 8.122 1.023 25848 1072 1 3 . 1 1 61 61 CYS N N 61 122.299 122.299 122.769 -0.470 25848 1073 1 3 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.430 0.416 25848 1074 1 3 . 1 1 61 61 CYS C C 61 173.374 173.374 174.877 -1.503 25848 1075 1 3 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.377 14.097 25848 1076 1 3 . 1 1 61 61 CYS H H 61 9.064 9.064 8.963 0.101 25848 1077 1 3 . 1 1 62 62 TRP N N 62 135.668 135.668 130.856 4.812 25848 1078 1 3 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.638 0.260 25848 1079 1 3 . 1 1 62 62 TRP C C 62 174.430 174.430 174.780 -0.350 25848 1080 1 3 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.711 0.755 25848 1081 1 3 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.797 0.188 25848 1082 1 3 . 1 1 62 62 TRP H H 62 9.434 9.434 8.374 1.060 25848 1083 1 3 . 1 1 63 63 LYS N N 63 128.624 128.624 127.869 0.755 25848 1084 1 3 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.345 0.002 25848 1085 1 3 . 1 1 63 63 LYS C C 63 175.409 175.409 175.543 -0.134 25848 1086 1 3 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.057 0.564 25848 1087 1 3 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.313 0.205 25848 1088 1 3 . 1 1 63 63 LYS H H 63 8.392 8.392 8.544 -0.152 25848 1089 1 3 . 1 1 64 64 ARG N N 64 125.507 125.507 124.626 0.881 25848 1090 1 3 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.272 -0.337 25848 1091 1 3 . 1 1 64 64 ARG C C 64 175.704 175.704 174.620 1.084 25848 1092 1 3 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.389 0.465 25848 1093 1 3 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.075 0.421 25848 1094 1 3 . 1 1 64 64 ARG H H 64 7.877 7.877 8.051 -0.174 25848 1095 1 3 . 1 1 65 65 SER N N 65 115.709 115.709 118.104 -2.395 25848 1096 1 3 . 1 1 65 65 SER HA H 65 4.306 4.306 4.726 -0.420 25848 1097 1 3 . 1 1 65 65 SER C C 65 175.289 175.289 175.283 0.006 25848 1098 1 3 . 1 1 65 65 SER CA C 65 58.778 58.778 57.356 1.422 25848 1099 1 3 . 1 1 65 65 SER CB C 65 63.667 63.667 64.625 -0.958 25848 1100 1 3 . 1 1 65 65 SER H H 65 8.198 8.198 8.222 -0.024 25848 1101 1 3 . 1 1 66 66 GLY N N 66 110.671 110.671 112.844 -2.173 25848 1102 1 3 . 1 1 66 66 GLY C C 66 174.634 174.634 175.009 -0.375 25848 1103 1 3 . 1 1 66 66 GLY CA C 66 46.080 46.080 44.954 1.126 25848 1104 1 3 . 1 1 66 66 GLY H H 66 8.675 8.675 8.442 0.233 25848 1105 1 3 . 1 1 67 67 ASN N N 67 118.608 118.608 118.033 0.575 25848 1106 1 3 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.898 -0.236 25848 1107 1 3 . 1 1 67 67 ASN C C 67 175.108 175.108 175.716 -0.608 25848 1108 1 3 . 1 1 67 67 ASN CA C 67 52.755 52.755 54.147 -1.392 25848 1109 1 3 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.311 -0.811 25848 1110 1 3 . 1 1 67 67 ASN H H 67 8.374 8.374 8.318 0.056 25848 1111 1 3 . 1 1 68 68 LYS N N 68 119.218 119.218 118.575 0.643 25848 1112 1 3 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.410 -0.080 25848 1113 1 3 . 1 1 68 68 LYS C C 68 176.405 176.405 175.287 1.118 25848 1114 1 3 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.409 0.998 25848 1115 1 3 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.307 -0.400 25848 1116 1 3 . 1 1 68 68 LYS H H 68 7.816 7.816 7.639 0.177 25848 1117 1 3 . 1 1 69 69 SER N N 69 115.165 115.165 115.790 -0.625 25848 1118 1 3 . 1 1 69 69 SER HA H 69 4.615 4.615 4.323 0.292 25848 1119 1 3 . 1 1 69 69 SER C C 69 174.381 174.381 174.072 0.309 25848 1120 1 3 . 1 1 69 69 SER CA C 69 57.773 57.773 58.746 -0.973 25848 1121 1 3 . 1 1 69 69 SER CB C 69 64.533 64.533 63.735 0.798 25848 1122 1 3 . 1 1 69 69 SER H H 69 8.176 8.176 8.294 -0.118 25848 1123 1 3 . 1 1 70 70 SER N N 70 121.583 121.583 116.966 4.617 25848 1124 1 3 . 1 1 70 70 SER HA H 70 5.011 5.011 4.392 0.619 25848 1125 1 3 . 1 1 70 70 SER C C 70 175.256 175.256 174.278 0.978 25848 1126 1 3 . 1 1 70 70 SER CA C 70 58.455 58.455 58.921 -0.466 25848 1127 1 3 . 1 1 70 70 SER CB C 70 63.987 63.987 63.070 0.917 25848 1128 1 3 . 1 1 70 70 SER H H 70 9.539 9.539 8.282 1.257 25848 1129 1 3 . 1 1 71 71 VAL N N 71 115.977 115.977 117.580 -1.603 25848 1130 1 3 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.821 0.517 25848 1131 1 3 . 1 1 71 71 VAL C C 71 176.220 176.220 174.911 1.309 25848 1132 1 3 . 1 1 71 71 VAL CA C 71 58.655 58.655 58.865 -0.210 25848 1133 1 3 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.373 3.049 25848 1134 1 3 . 1 1 71 71 VAL H H 71 8.502 8.502 7.875 0.627 25848 1135 1 3 . 1 1 72 72 CYS N N 72 120.794 120.794 118.391 2.403 25848 1136 1 3 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.566 -0.541 25848 1137 1 3 . 1 1 72 72 CYS C C 72 174.142 174.142 174.545 -0.403 25848 1138 1 3 . 1 1 72 72 CYS CA C 72 54.465 54.465 58.043 -3.578 25848 1139 1 3 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.233 9.225 25848 1140 1 3 . 1 1 72 72 CYS H H 72 8.557 8.557 8.123 0.434 25848 1141 1 3 . 1 1 73 73 ALA N N 73 130.318 130.318 125.578 4.740 25848 1142 1 3 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.810 -0.350 25848 1143 1 3 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.548 0.049 25848 1144 1 3 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.321 1.213 25848 1145 1 3 . 1 1 73 73 ALA H H 73 9.629 9.629 8.828 0.801 25848 1146 1 3 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.503 -0.003 25848 1147 1 3 . 1 1 74 74 PRO C C 74 176.504 176.504 176.558 -0.054 25848 1148 1 3 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.993 1.226 25848 1149 1 3 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.262 -0.359 25848 1150 1 3 . 1 1 75 75 ILE N N 75 122.019 122.019 114.008 8.011 25848 1151 1 3 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.025 -0.081 25848 1152 1 3 . 1 1 75 75 ILE C C 75 175.793 175.793 176.052 -0.259 25848 1153 1 3 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.686 0.660 25848 1154 1 3 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.802 1.167 25848 1155 1 3 . 1 1 75 75 ILE H H 75 7.769 7.769 8.005 -0.236 25848 1156 1 4 . 1 1 2 2 ASN HA H 2 4.711 4.711 5.108 -0.397 25848 1157 1 4 . 1 1 2 2 ASN C C 2 174.785 174.785 174.130 0.655 25848 1158 1 4 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.834 -1.014 25848 1159 1 4 . 1 1 3 3 GLU N N 3 121.744 121.744 120.578 1.166 25848 1160 1 4 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.467 -0.119 25848 1161 1 4 . 1 1 3 3 GLU C C 3 176.060 176.060 176.005 0.055 25848 1162 1 4 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.399 -0.132 25848 1163 1 4 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.348 -0.161 25848 1164 1 4 . 1 1 3 3 GLU H H 3 8.470 8.470 8.630 -0.160 25848 1165 1 4 . 1 1 4 4 CYS N N 4 119.765 119.765 116.117 3.648 25848 1166 1 4 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.793 0.004 25848 1167 1 4 . 1 1 4 4 CYS C C 4 173.263 173.263 174.969 -1.706 25848 1168 1 4 . 1 1 4 4 CYS CB C 4 42.301 42.301 30.156 12.145 25848 1169 1 4 . 1 1 4 4 CYS H H 4 8.317 8.317 8.405 -0.088 25848 1170 1 4 . 1 1 5 5 ILE N N 5 122.940 122.940 122.966 -0.026 25848 1171 1 4 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.099 -0.211 25848 1172 1 4 . 1 1 5 5 ILE C C 5 173.890 173.890 176.056 -2.166 25848 1173 1 4 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.835 0.681 25848 1174 1 4 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.918 0.362 25848 1175 1 4 . 1 1 5 5 ILE H H 5 8.912 8.912 8.107 0.805 25848 1176 1 4 . 1 1 6 6 ARG N N 6 125.981 125.981 126.281 -0.300 25848 1177 1 4 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.294 -0.432 25848 1178 1 4 . 1 1 6 6 ARG C C 6 174.259 174.259 175.763 -1.504 25848 1179 1 4 . 1 1 6 6 ARG CA C 6 56.018 56.018 55.907 0.111 25848 1180 1 4 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.692 1.085 25848 1181 1 4 . 1 1 6 6 ARG H H 6 7.528 7.528 8.280 -0.752 25848 1182 1 4 . 1 1 7 7 LYS N N 7 116.267 116.267 123.071 -6.804 25848 1183 1 4 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.846 -0.560 25848 1184 1 4 . 1 1 7 7 LYS C C 7 175.417 175.417 177.008 -1.591 25848 1185 1 4 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.732 0.591 25848 1186 1 4 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.670 0.001 25848 1187 1 4 . 1 1 7 7 LYS H H 7 7.558 7.558 8.362 -0.804 25848 1188 1 4 . 1 1 8 8 TRP N N 8 115.300 115.300 122.321 -7.021 25848 1189 1 4 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.336 -0.076 25848 1190 1 4 . 1 1 8 8 TRP C C 8 175.069 175.069 175.680 -0.611 25848 1191 1 4 . 1 1 8 8 TRP CA C 8 58.008 58.008 57.944 0.064 25848 1192 1 4 . 1 1 8 8 TRP CB C 8 27.687 27.687 27.099 0.588 25848 1193 1 4 . 1 1 8 8 TRP H H 8 9.357 9.357 8.030 1.327 25848 1194 1 4 . 1 1 9 9 LEU N N 9 120.240 120.240 121.379 -1.139 25848 1195 1 4 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.667 0.030 25848 1196 1 4 . 1 1 9 9 LEU C C 9 176.636 176.636 176.115 0.521 25848 1197 1 4 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.007 -1.759 25848 1198 1 4 . 1 1 9 9 LEU H H 9 7.701 7.701 7.962 -0.261 25848 1199 1 4 . 1 1 10 10 SER N N 10 110.077 110.077 110.599 -0.522 25848 1200 1 4 . 1 1 10 10 SER HA H 10 4.704 4.704 4.631 0.073 25848 1201 1 4 . 1 1 10 10 SER CB C 10 64.064 64.064 63.834 0.230 25848 1202 1 4 . 1 1 10 10 SER H H 10 8.148 8.148 7.952 0.196 25848 1203 1 4 . 1 1 11 11 CYS N N 11 121.141 121.141 124.113 -2.972 25848 1204 1 4 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.780 0.090 25848 1205 1 4 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.367 16.664 25848 1206 1 4 . 1 1 11 11 CYS H H 11 8.580 8.580 8.572 0.008 25848 1207 1 4 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.842 -0.277 25848 1208 1 4 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.290 -0.093 25848 1209 1 4 . 1 1 12 12 VAL H H 12 7.776 7.776 8.156 -0.380 25848 1210 1 4 . 1 1 15 15 LYS N N 15 117.195 117.195 120.459 -3.264 25848 1211 1 4 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.072 0.287 25848 1212 1 4 . 1 1 15 15 LYS C C 15 177.505 177.505 177.264 0.241 25848 1213 1 4 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.148 1.294 25848 1214 1 4 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.240 0.331 25848 1215 1 4 . 1 1 15 15 LYS H H 15 7.936 7.936 8.607 -0.671 25848 1216 1 4 . 1 1 16 16 ASN N N 16 115.005 115.005 117.969 -2.964 25848 1217 1 4 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.640 0.435 25848 1218 1 4 . 1 1 16 16 ASN C C 16 176.707 176.707 174.854 1.853 25848 1219 1 4 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.070 -1.060 25848 1220 1 4 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.705 0.464 25848 1221 1 4 . 1 1 16 16 ASN H H 16 8.644 8.644 8.287 0.357 25848 1222 1 4 . 1 1 17 17 ASP N N 17 118.040 118.040 119.107 -1.067 25848 1223 1 4 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.916 -0.053 25848 1224 1 4 . 1 1 17 17 ASP C C 17 176.756 176.756 175.643 1.113 25848 1225 1 4 . 1 1 17 17 ASP CB C 17 41.010 41.010 41.838 -0.828 25848 1226 1 4 . 1 1 17 17 ASP H H 17 7.592 7.592 7.610 -0.018 25848 1227 1 4 . 1 1 18 18 CYS N N 18 119.499 119.499 117.858 1.641 25848 1228 1 4 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.165 0.735 25848 1229 1 4 . 1 1 18 18 CYS C C 18 176.186 176.186 174.555 1.631 25848 1230 1 4 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.260 11.627 25848 1231 1 4 . 1 1 18 18 CYS H H 18 8.729 8.729 8.106 0.623 25848 1232 1 4 . 1 1 19 19 CYS N N 19 120.655 120.655 112.976 7.679 25848 1233 1 4 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.380 0.035 25848 1234 1 4 . 1 1 19 19 CYS C C 19 171.719 171.719 172.823 -1.104 25848 1235 1 4 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.059 -3.490 25848 1236 1 4 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.470 11.447 25848 1237 1 4 . 1 1 19 19 CYS H H 19 9.086 9.086 8.122 0.964 25848 1238 1 4 . 1 1 20 20 GLU N N 20 118.445 118.445 123.069 -4.624 25848 1239 1 4 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.350 -0.419 25848 1240 1 4 . 1 1 20 20 GLU C C 20 176.509 176.509 176.545 -0.036 25848 1241 1 4 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.716 1.104 25848 1242 1 4 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.839 0.064 25848 1243 1 4 . 1 1 20 20 GLU H H 20 8.155 8.155 8.891 -0.736 25848 1244 1 4 . 1 1 21 21 GLY N N 21 113.662 113.662 113.394 0.268 25848 1245 1 4 . 1 1 21 21 GLY C C 21 172.614 172.614 172.702 -0.088 25848 1246 1 4 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.251 -0.720 25848 1247 1 4 . 1 1 21 21 GLY H H 21 8.719 8.719 8.559 0.160 25848 1248 1 4 . 1 1 22 22 LEU N N 22 120.372 120.372 119.419 0.953 25848 1249 1 4 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.022 0.059 25848 1250 1 4 . 1 1 22 22 LEU C C 22 174.927 174.927 175.806 -0.879 25848 1251 1 4 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.093 -0.643 25848 1252 1 4 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.348 -0.837 25848 1253 1 4 . 1 1 22 22 LEU H H 22 7.641 7.641 7.020 0.621 25848 1254 1 4 . 1 1 23 23 GLU N N 23 117.193 117.193 117.850 -0.657 25848 1255 1 4 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.634 0.074 25848 1256 1 4 . 1 1 23 23 GLU C C 23 173.821 173.821 174.401 -0.580 25848 1257 1 4 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.080 -0.748 25848 1258 1 4 . 1 1 23 23 GLU CB C 23 32.486 32.486 33.020 -0.534 25848 1259 1 4 . 1 1 23 23 GLU H H 23 9.299 9.299 8.802 0.497 25848 1260 1 4 . 1 1 24 24 CYS N N 24 123.260 123.260 121.217 2.043 25848 1261 1 4 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.469 0.332 25848 1262 1 4 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.450 13.845 25848 1263 1 4 . 1 1 24 24 CYS H H 24 8.953 8.953 8.846 0.107 25848 1264 1 4 . 1 1 25 25 TYR N N 25 134.523 134.523 128.173 6.350 25848 1265 1 4 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.670 0.143 25848 1266 1 4 . 1 1 25 25 TYR C C 25 173.768 173.768 174.505 -0.737 25848 1267 1 4 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.465 1.881 25848 1268 1 4 . 1 1 25 25 TYR H H 25 9.338 9.338 8.428 0.910 25848 1269 1 4 . 1 1 26 26 LYS N N 26 127.496 127.496 121.572 5.924 25848 1270 1 4 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.411 -0.315 25848 1271 1 4 . 1 1 26 26 LYS C C 26 174.360 174.360 175.621 -1.261 25848 1272 1 4 . 1 1 26 26 LYS CA C 26 55.938 55.938 54.943 0.995 25848 1273 1 4 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.288 -0.622 25848 1274 1 4 . 1 1 26 26 LYS H H 26 8.176 8.176 7.394 0.782 25848 1275 1 4 . 1 1 27 27 ARG N N 27 125.899 125.899 126.703 -0.804 25848 1276 1 4 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.514 -0.289 25848 1277 1 4 . 1 1 27 27 ARG C C 27 174.385 174.385 174.833 -0.448 25848 1278 1 4 . 1 1 27 27 ARG CA C 27 55.989 55.989 56.147 -0.158 25848 1279 1 4 . 1 1 27 27 ARG CB C 27 32.009 32.009 32.803 -0.794 25848 1280 1 4 . 1 1 27 27 ARG H H 27 7.493 7.493 8.972 -1.479 25848 1281 1 4 . 1 1 28 28 ARG N N 28 121.214 121.214 122.278 -1.064 25848 1282 1 4 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.448 -0.536 25848 1283 1 4 . 1 1 28 28 ARG C C 28 176.613 176.613 177.296 -0.683 25848 1284 1 4 . 1 1 28 28 ARG CA C 28 57.614 57.614 56.355 1.259 25848 1285 1 4 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.818 -1.143 25848 1286 1 4 . 1 1 28 28 ARG H H 28 8.519 8.519 8.639 -0.120 25848 1287 1 4 . 1 1 29 29 HIS N N 29 116.413 116.413 118.698 -2.285 25848 1288 1 4 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.438 0.042 25848 1289 1 4 . 1 1 29 29 HIS C C 29 174.166 174.166 175.507 -1.341 25848 1290 1 4 . 1 1 29 29 HIS CA C 29 56.020 56.020 58.088 -2.068 25848 1291 1 4 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.150 -2.016 25848 1292 1 4 . 1 1 29 29 HIS H H 29 8.771 8.771 8.305 0.466 25848 1293 1 4 . 1 1 30 30 SER N N 30 113.403 113.403 113.648 -0.245 25848 1294 1 4 . 1 1 30 30 SER HA H 30 4.469 4.469 4.684 -0.215 25848 1295 1 4 . 1 1 30 30 SER C C 30 173.332 173.332 173.927 -0.595 25848 1296 1 4 . 1 1 30 30 SER CA C 30 57.257 57.257 57.231 0.026 25848 1297 1 4 . 1 1 30 30 SER CB C 30 63.559 63.559 64.222 -0.663 25848 1298 1 4 . 1 1 30 30 SER H H 30 7.826 7.826 7.909 -0.083 25848 1299 1 4 . 1 1 31 31 PHE N N 31 118.662 118.662 121.705 -3.043 25848 1300 1 4 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.547 0.246 25848 1301 1 4 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.281 1.031 25848 1302 1 4 . 1 1 31 31 PHE H H 31 7.801 7.801 8.611 -0.810 25848 1303 1 4 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.512 0.098 25848 1304 1 4 . 1 1 32 32 GLU CB C 32 30.289 30.289 31.494 -1.205 25848 1305 1 4 . 1 1 33 33 VAL N N 33 121.027 121.027 116.686 4.341 25848 1306 1 4 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.632 0.469 25848 1307 1 4 . 1 1 33 33 VAL C C 33 175.754 175.754 175.147 0.607 25848 1308 1 4 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.526 -0.981 25848 1309 1 4 . 1 1 33 33 VAL CB C 33 37.464 37.464 34.684 2.780 25848 1310 1 4 . 1 1 33 33 VAL H H 33 8.581 8.581 8.134 0.447 25848 1311 1 4 . 1 1 34 34 CYS N N 34 119.365 119.365 119.624 -0.259 25848 1312 1 4 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.670 0.394 25848 1313 1 4 . 1 1 34 34 CYS C C 34 174.853 174.853 175.033 -0.180 25848 1314 1 4 . 1 1 34 34 CYS CA C 34 54.695 54.695 60.209 -5.514 25848 1315 1 4 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.310 14.664 25848 1316 1 4 . 1 1 34 34 CYS H H 34 7.968 7.968 8.693 -0.725 25848 1317 1 4 . 1 1 35 35 VAL N N 35 122.141 122.141 118.292 3.849 25848 1318 1 4 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.299 0.169 25848 1319 1 4 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.849 0.181 25848 1320 1 4 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.280 -0.064 25848 1321 1 4 . 1 1 35 35 VAL H H 35 9.611 9.611 8.904 0.707 25848 1322 1 4 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.529 -0.131 25848 1323 1 4 . 1 1 36 36 PRO C C 36 176.509 176.509 176.576 -0.067 25848 1324 1 4 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.575 0.745 25848 1325 1 4 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.936 0.176 25848 1326 1 4 . 1 1 37 37 ILE N N 37 125.294 125.294 126.005 -0.711 25848 1327 1 4 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.473 -0.342 25848 1328 1 4 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.072 0.718 25848 1329 1 4 . 1 1 37 37 ILE CB C 37 39.566 39.566 38.529 1.037 25848 1330 1 4 . 1 1 37 37 ILE H H 37 7.927 7.927 8.228 -0.301 25848 1331 1 4 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.543 -0.206 25848 1332 1 4 . 1 1 38 38 PRO C C 38 177.800 177.800 177.537 0.263 25848 1333 1 4 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.613 0.481 25848 1334 1 4 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.901 -0.171 25848 1335 1 4 . 1 1 39 39 GLY N N 39 112.745 112.745 112.659 0.086 25848 1336 1 4 . 1 1 39 39 GLY C C 39 174.463 174.463 174.814 -0.351 25848 1337 1 4 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.148 0.316 25848 1338 1 4 . 1 1 39 39 GLY H H 39 8.843 8.843 8.498 0.345 25848 1339 1 4 . 1 1 40 40 PHE N N 40 120.803 120.803 120.320 0.483 25848 1340 1 4 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.435 -0.114 25848 1341 1 4 . 1 1 40 40 PHE C C 40 174.706 174.706 174.683 0.023 25848 1342 1 4 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.251 0.417 25848 1343 1 4 . 1 1 40 40 PHE CB C 40 39.815 39.815 40.016 -0.201 25848 1344 1 4 . 1 1 40 40 PHE H H 40 7.762 7.762 7.560 0.202 25848 1345 1 4 . 1 1 41 41 CYS N N 41 120.807 120.807 120.973 -0.166 25848 1346 1 4 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.664 -0.090 25848 1347 1 4 . 1 1 41 41 CYS C C 41 171.732 171.732 171.832 -0.100 25848 1348 1 4 . 1 1 41 41 CYS CA C 41 53.666 53.666 54.940 -1.274 25848 1349 1 4 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.951 13.158 25848 1350 1 4 . 1 1 41 41 CYS H H 41 7.040 7.040 7.336 -0.296 25848 1351 1 4 . 1 1 42 42 LEU N N 42 119.987 119.987 118.953 1.034 25848 1352 1 4 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.865 -0.593 25848 1353 1 4 . 1 1 42 42 LEU C C 42 173.872 173.872 176.164 -2.292 25848 1354 1 4 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.439 0.564 25848 1355 1 4 . 1 1 42 42 LEU CB C 42 43.826 43.826 45.055 -1.229 25848 1356 1 4 . 1 1 42 42 LEU H H 42 8.728 8.728 8.133 0.595 25848 1357 1 4 . 1 1 43 43 VAL N N 43 115.632 115.632 115.623 0.009 25848 1358 1 4 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.406 -0.598 25848 1359 1 4 . 1 1 43 43 VAL C C 43 173.751 173.751 175.741 -1.990 25848 1360 1 4 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.376 -0.118 25848 1361 1 4 . 1 1 43 43 VAL CB C 43 32.857 32.857 33.854 -0.997 25848 1362 1 4 . 1 1 43 43 VAL H H 43 7.192 7.192 8.073 -0.881 25848 1363 1 4 . 1 1 44 44 LYS N N 44 117.023 117.023 117.458 -0.435 25848 1364 1 4 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.154 -0.924 25848 1365 1 4 . 1 1 44 44 LYS C C 44 176.385 176.385 175.380 1.005 25848 1366 1 4 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.203 0.570 25848 1367 1 4 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.678 0.353 25848 1368 1 4 . 1 1 44 44 LYS H H 44 7.531 7.531 8.532 -1.001 25848 1369 1 4 . 1 1 45 45 TRP N N 45 117.377 117.377 118.460 -1.083 25848 1370 1 4 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.794 -0.347 25848 1371 1 4 . 1 1 45 45 TRP C C 45 175.675 175.675 174.990 0.685 25848 1372 1 4 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.105 1.915 25848 1373 1 4 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.669 -2.674 25848 1374 1 4 . 1 1 45 45 TRP H H 45 9.364 9.364 7.625 1.739 25848 1375 1 4 . 1 1 46 46 LYS N N 46 119.913 119.913 119.958 -0.045 25848 1376 1 4 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.813 -0.423 25848 1377 1 4 . 1 1 46 46 LYS C C 46 176.776 176.776 176.063 0.713 25848 1378 1 4 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.696 0.465 25848 1379 1 4 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.670 -2.004 25848 1380 1 4 . 1 1 46 46 LYS H H 46 7.985 7.985 7.475 0.510 25848 1381 1 4 . 1 1 47 47 GLN N N 47 121.031 121.031 120.407 0.624 25848 1382 1 4 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.334 0.545 25848 1383 1 4 . 1 1 47 47 GLN C C 47 177.118 177.118 176.788 0.330 25848 1384 1 4 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.910 -0.354 25848 1385 1 4 . 1 1 47 47 GLN H H 47 8.623 8.623 8.763 -0.140 25848 1386 1 4 . 1 1 48 48 CYS N N 48 115.456 115.456 120.730 -5.274 25848 1387 1 4 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.667 0.089 25848 1388 1 4 . 1 1 48 48 CYS C C 48 173.978 173.978 175.556 -1.578 25848 1389 1 4 . 1 1 48 48 CYS CB C 48 43.989 43.989 28.983 15.006 25848 1390 1 4 . 1 1 48 48 CYS H H 48 8.365 8.365 8.455 -0.090 25848 1391 1 4 . 1 1 49 49 ASP N N 49 123.208 123.208 123.475 -0.267 25848 1392 1 4 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.415 0.033 25848 1393 1 4 . 1 1 49 49 ASP C C 49 177.773 177.773 177.093 0.680 25848 1394 1 4 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.294 0.694 25848 1395 1 4 . 1 1 49 49 ASP CB C 49 41.080 41.080 41.100 -0.020 25848 1396 1 4 . 1 1 49 49 ASP H H 49 7.839 7.839 7.657 0.182 25848 1397 1 4 . 1 1 50 50 GLY N N 50 115.583 115.583 115.409 0.174 25848 1398 1 4 . 1 1 50 50 GLY C C 50 173.522 173.522 175.067 -1.545 25848 1399 1 4 . 1 1 50 50 GLY CA C 50 46.284 46.284 46.055 0.229 25848 1400 1 4 . 1 1 50 50 GLY H H 50 9.371 9.371 9.114 0.257 25848 1401 1 4 . 1 1 51 51 ARG N N 51 122.794 122.794 122.131 0.663 25848 1402 1 4 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.613 0.045 25848 1403 1 4 . 1 1 51 51 ARG C C 51 176.977 176.977 176.828 0.149 25848 1404 1 4 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.661 0.090 25848 1405 1 4 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.888 1.195 25848 1406 1 4 . 1 1 51 51 ARG H H 51 8.199 8.199 7.980 0.219 25848 1407 1 4 . 1 1 52 52 GLU N N 52 117.957 117.957 118.585 -0.628 25848 1408 1 4 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.070 0.004 25848 1409 1 4 . 1 1 52 52 GLU C C 52 178.254 178.254 176.336 1.918 25848 1410 1 4 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.598 2.632 25848 1411 1 4 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.122 -0.314 25848 1412 1 4 . 1 1 52 52 GLU H H 52 8.992 8.992 8.704 0.288 25848 1413 1 4 . 1 1 53 53 ARG N N 53 116.423 116.423 114.873 1.550 25848 1414 1 4 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.585 -0.021 25848 1415 1 4 . 1 1 53 53 ARG C C 53 177.327 177.327 175.510 1.817 25848 1416 1 4 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.721 -0.241 25848 1417 1 4 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.050 -0.785 25848 1418 1 4 . 1 1 53 53 ARG H H 53 8.513 8.513 7.796 0.717 25848 1419 1 4 . 1 1 54 54 ASP N N 54 118.043 118.043 120.694 -2.651 25848 1420 1 4 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.816 -0.001 25848 1421 1 4 . 1 1 54 54 ASP C C 54 176.941 176.941 175.259 1.682 25848 1422 1 4 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.601 -2.854 25848 1423 1 4 . 1 1 54 54 ASP H H 54 7.933 7.933 7.956 -0.023 25848 1424 1 4 . 1 1 55 55 CYS N N 55 118.999 118.999 118.250 0.749 25848 1425 1 4 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.161 0.816 25848 1426 1 4 . 1 1 55 55 CYS C C 55 175.757 175.757 175.410 0.347 25848 1427 1 4 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.971 -4.982 25848 1428 1 4 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.260 11.174 25848 1429 1 4 . 1 1 55 55 CYS H H 55 8.222 8.222 7.570 0.652 25848 1430 1 4 . 1 1 56 56 CYS N N 56 121.139 121.139 120.079 1.060 25848 1431 1 4 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.306 0.028 25848 1432 1 4 . 1 1 56 56 CYS C C 56 171.957 171.957 175.580 -3.623 25848 1433 1 4 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.856 -5.365 25848 1434 1 4 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.325 12.688 25848 1435 1 4 . 1 1 56 56 CYS H H 56 8.999 8.999 8.088 0.911 25848 1436 1 4 . 1 1 57 57 ALA N N 57 120.553 120.553 124.558 -4.005 25848 1437 1 4 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.129 -0.056 25848 1438 1 4 . 1 1 57 57 ALA C C 57 178.248 178.248 178.289 -0.041 25848 1439 1 4 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.237 0.527 25848 1440 1 4 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.410 -0.013 25848 1441 1 4 . 1 1 57 57 ALA H H 57 8.084 8.084 8.539 -0.455 25848 1442 1 4 . 1 1 58 58 GLY N N 58 110.247 110.247 111.631 -1.384 25848 1443 1 4 . 1 1 58 58 GLY C C 58 173.204 173.204 173.946 -0.742 25848 1444 1 4 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.763 -0.005 25848 1445 1 4 . 1 1 58 58 GLY H H 58 8.713 8.713 8.580 0.133 25848 1446 1 4 . 1 1 59 59 LEU N N 59 120.155 120.155 121.525 -1.370 25848 1447 1 4 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.560 0.406 25848 1448 1 4 . 1 1 59 59 LEU C C 59 175.349 175.349 176.035 -0.686 25848 1449 1 4 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.707 -2.262 25848 1450 1 4 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.429 1.055 25848 1451 1 4 . 1 1 59 59 LEU H H 59 7.901 7.901 7.352 0.549 25848 1452 1 4 . 1 1 60 60 GLU N N 60 117.726 117.726 114.724 3.002 25848 1453 1 4 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.513 0.166 25848 1454 1 4 . 1 1 60 60 GLU C C 60 174.016 174.016 174.644 -0.628 25848 1455 1 4 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.313 0.282 25848 1456 1 4 . 1 1 60 60 GLU H H 60 9.145 9.145 8.134 1.011 25848 1457 1 4 . 1 1 61 61 CYS N N 61 122.299 122.299 121.979 0.320 25848 1458 1 4 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.520 0.326 25848 1459 1 4 . 1 1 61 61 CYS C C 61 173.374 173.374 175.171 -1.797 25848 1460 1 4 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.492 13.982 25848 1461 1 4 . 1 1 61 61 CYS H H 61 9.064 9.064 9.024 0.040 25848 1462 1 4 . 1 1 62 62 TRP N N 62 135.668 135.668 130.891 4.777 25848 1463 1 4 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.594 0.304 25848 1464 1 4 . 1 1 62 62 TRP C C 62 174.430 174.430 174.499 -0.069 25848 1465 1 4 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.711 0.755 25848 1466 1 4 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.744 0.241 25848 1467 1 4 . 1 1 62 62 TRP H H 62 9.434 9.434 8.524 0.910 25848 1468 1 4 . 1 1 63 63 LYS N N 63 128.624 128.624 128.431 0.193 25848 1469 1 4 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.408 -0.061 25848 1470 1 4 . 1 1 63 63 LYS C C 63 175.409 175.409 175.716 -0.307 25848 1471 1 4 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.185 0.436 25848 1472 1 4 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.645 -0.127 25848 1473 1 4 . 1 1 63 63 LYS H H 63 8.392 8.392 8.651 -0.259 25848 1474 1 4 . 1 1 64 64 ARG N N 64 125.507 125.507 124.915 0.592 25848 1475 1 4 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.401 -0.466 25848 1476 1 4 . 1 1 64 64 ARG C C 64 175.704 175.704 174.975 0.729 25848 1477 1 4 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.302 0.552 25848 1478 1 4 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.469 0.027 25848 1479 1 4 . 1 1 64 64 ARG H H 64 7.877 7.877 8.136 -0.259 25848 1480 1 4 . 1 1 65 65 SER N N 65 115.709 115.709 118.371 -2.662 25848 1481 1 4 . 1 1 65 65 SER HA H 65 4.306 4.306 4.775 -0.469 25848 1482 1 4 . 1 1 65 65 SER C C 65 175.289 175.289 175.163 0.126 25848 1483 1 4 . 1 1 65 65 SER CA C 65 58.778 58.778 57.474 1.304 25848 1484 1 4 . 1 1 65 65 SER CB C 65 63.667 63.667 64.864 -1.197 25848 1485 1 4 . 1 1 65 65 SER H H 65 8.198 8.198 8.297 -0.099 25848 1486 1 4 . 1 1 66 66 GLY N N 66 110.671 110.671 112.734 -2.063 25848 1487 1 4 . 1 1 66 66 GLY C C 66 174.634 174.634 174.834 -0.200 25848 1488 1 4 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.017 1.063 25848 1489 1 4 . 1 1 66 66 GLY H H 66 8.675 8.675 8.682 -0.007 25848 1490 1 4 . 1 1 67 67 ASN N N 67 118.608 118.608 117.296 1.312 25848 1491 1 4 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.931 -0.269 25848 1492 1 4 . 1 1 67 67 ASN C C 67 175.108 175.108 175.774 -0.666 25848 1493 1 4 . 1 1 67 67 ASN CA C 67 52.755 52.755 54.145 -1.390 25848 1494 1 4 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.289 -0.789 25848 1495 1 4 . 1 1 67 67 ASN H H 67 8.374 8.374 8.254 0.120 25848 1496 1 4 . 1 1 68 68 LYS N N 68 119.218 119.218 118.234 0.984 25848 1497 1 4 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.386 -0.056 25848 1498 1 4 . 1 1 68 68 LYS C C 68 176.405 176.405 175.110 1.295 25848 1499 1 4 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.416 0.991 25848 1500 1 4 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.663 -0.756 25848 1501 1 4 . 1 1 68 68 LYS H H 68 7.816 7.816 7.694 0.122 25848 1502 1 4 . 1 1 69 69 SER N N 69 115.165 115.165 115.776 -0.611 25848 1503 1 4 . 1 1 69 69 SER HA H 69 4.615 4.615 4.327 0.288 25848 1504 1 4 . 1 1 69 69 SER C C 69 174.381 174.381 174.011 0.370 25848 1505 1 4 . 1 1 69 69 SER CA C 69 57.773 57.773 58.715 -0.943 25848 1506 1 4 . 1 1 69 69 SER CB C 69 64.533 64.533 63.715 0.818 25848 1507 1 4 . 1 1 69 69 SER H H 69 8.176 8.176 8.291 -0.115 25848 1508 1 4 . 1 1 70 70 SER N N 70 121.583 121.583 116.916 4.667 25848 1509 1 4 . 1 1 70 70 SER HA H 70 5.011 5.011 4.389 0.622 25848 1510 1 4 . 1 1 70 70 SER C C 70 175.256 175.256 174.401 0.855 25848 1511 1 4 . 1 1 70 70 SER CA C 70 58.455 58.455 58.781 -0.326 25848 1512 1 4 . 1 1 70 70 SER CB C 70 63.987 63.987 63.208 0.779 25848 1513 1 4 . 1 1 70 70 SER H H 70 9.539 9.539 8.269 1.270 25848 1514 1 4 . 1 1 71 71 VAL N N 71 115.977 115.977 119.631 -3.654 25848 1515 1 4 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.778 0.560 25848 1516 1 4 . 1 1 71 71 VAL C C 71 176.220 176.220 175.094 1.126 25848 1517 1 4 . 1 1 71 71 VAL CA C 71 58.655 58.655 59.707 -1.052 25848 1518 1 4 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.732 2.690 25848 1519 1 4 . 1 1 71 71 VAL H H 71 8.502 8.502 7.817 0.685 25848 1520 1 4 . 1 1 72 72 CYS N N 72 120.794 120.794 118.856 1.938 25848 1521 1 4 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.491 -0.466 25848 1522 1 4 . 1 1 72 72 CYS C C 72 174.142 174.142 174.685 -0.543 25848 1523 1 4 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.980 -3.515 25848 1524 1 4 . 1 1 72 72 CYS CB C 72 38.458 38.458 28.833 9.625 25848 1525 1 4 . 1 1 72 72 CYS H H 72 8.557 8.557 8.079 0.478 25848 1526 1 4 . 1 1 73 73 ALA N N 73 130.318 130.318 125.856 4.462 25848 1527 1 4 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.783 -0.323 25848 1528 1 4 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.505 0.092 25848 1529 1 4 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.340 1.194 25848 1530 1 4 . 1 1 73 73 ALA H H 73 9.629 9.629 8.707 0.922 25848 1531 1 4 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.533 -0.033 25848 1532 1 4 . 1 1 74 74 PRO C C 74 176.504 176.504 177.104 -0.600 25848 1533 1 4 . 1 1 74 74 PRO CA C 74 63.219 63.219 62.276 0.943 25848 1534 1 4 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.453 -0.549 25848 1535 1 4 . 1 1 75 75 ILE N N 75 122.019 122.019 114.902 7.117 25848 1536 1 4 . 1 1 75 75 ILE HA H 75 3.944 3.944 3.924 0.020 25848 1537 1 4 . 1 1 75 75 ILE C C 75 175.793 175.793 175.367 0.426 25848 1538 1 4 . 1 1 75 75 ILE CA C 75 62.346 62.346 62.714 -0.368 25848 1539 1 4 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.595 1.374 25848 1540 1 4 . 1 1 75 75 ILE H H 75 7.769 7.769 7.815 -0.046 25848 1541 1 5 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.957 -0.246 25848 1542 1 5 . 1 1 2 2 ASN C C 2 174.785 174.785 173.604 1.181 25848 1543 1 5 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.799 -0.979 25848 1544 1 5 . 1 1 3 3 GLU N N 3 121.744 121.744 120.285 1.459 25848 1545 1 5 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.442 -0.095 25848 1546 1 5 . 1 1 3 3 GLU C C 3 176.060 176.060 175.764 0.296 25848 1547 1 5 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.535 -0.269 25848 1548 1 5 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.403 -0.216 25848 1549 1 5 . 1 1 3 3 GLU H H 3 8.470 8.470 8.758 -0.288 25848 1550 1 5 . 1 1 4 4 CYS N N 4 119.765 119.765 115.896 3.869 25848 1551 1 5 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.726 0.071 25848 1552 1 5 . 1 1 4 4 CYS C C 4 173.263 173.263 174.782 -1.519 25848 1553 1 5 . 1 1 4 4 CYS CB C 4 42.301 42.301 30.474 11.826 25848 1554 1 5 . 1 1 4 4 CYS H H 4 8.317 8.317 8.488 -0.171 25848 1555 1 5 . 1 1 5 5 ILE N N 5 122.940 122.940 122.689 0.251 25848 1556 1 5 . 1 1 5 5 ILE HA H 5 3.888 3.888 3.940 -0.052 25848 1557 1 5 . 1 1 5 5 ILE C C 5 173.890 173.890 175.711 -1.821 25848 1558 1 5 . 1 1 5 5 ILE CA C 5 62.516 62.516 62.012 0.504 25848 1559 1 5 . 1 1 5 5 ILE CB C 5 39.280 39.280 37.982 1.298 25848 1560 1 5 . 1 1 5 5 ILE H H 5 8.912 8.912 8.131 0.781 25848 1561 1 5 . 1 1 6 6 ARG N N 6 125.981 125.981 127.965 -1.984 25848 1562 1 5 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.115 -0.254 25848 1563 1 5 . 1 1 6 6 ARG C C 6 174.259 174.259 175.998 -1.739 25848 1564 1 5 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.406 -0.388 25848 1565 1 5 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.496 1.281 25848 1566 1 5 . 1 1 6 6 ARG H H 6 7.528 7.528 8.394 -0.866 25848 1567 1 5 . 1 1 7 7 LYS N N 7 116.267 116.267 123.638 -7.371 25848 1568 1 5 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.908 -0.622 25848 1569 1 5 . 1 1 7 7 LYS C C 7 175.417 175.417 176.895 -1.478 25848 1570 1 5 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.236 1.087 25848 1571 1 5 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.825 -0.154 25848 1572 1 5 . 1 1 7 7 LYS H H 7 7.558 7.558 8.395 -0.837 25848 1573 1 5 . 1 1 8 8 TRP N N 8 115.300 115.300 122.963 -7.663 25848 1574 1 5 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.237 0.023 25848 1575 1 5 . 1 1 8 8 TRP C C 8 175.069 175.069 175.243 -0.174 25848 1576 1 5 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.099 -0.091 25848 1577 1 5 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.820 0.867 25848 1578 1 5 . 1 1 8 8 TRP H H 8 9.357 9.357 8.475 0.882 25848 1579 1 5 . 1 1 9 9 LEU N N 9 120.240 120.240 119.129 1.111 25848 1580 1 5 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.818 -0.121 25848 1581 1 5 . 1 1 9 9 LEU C C 9 176.636 176.636 176.068 0.568 25848 1582 1 5 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.542 -2.294 25848 1583 1 5 . 1 1 9 9 LEU H H 9 7.701 7.701 7.832 -0.131 25848 1584 1 5 . 1 1 10 10 SER N N 10 110.077 110.077 111.006 -0.929 25848 1585 1 5 . 1 1 10 10 SER HA H 10 4.704 4.704 4.689 0.015 25848 1586 1 5 . 1 1 10 10 SER CB C 10 64.064 64.064 64.299 -0.235 25848 1587 1 5 . 1 1 10 10 SER H H 10 8.148 8.148 8.078 0.070 25848 1588 1 5 . 1 1 11 11 CYS N N 11 121.141 121.141 124.920 -3.779 25848 1589 1 5 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.719 0.151 25848 1590 1 5 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.756 16.275 25848 1591 1 5 . 1 1 11 11 CYS H H 11 8.580 8.580 9.009 -0.429 25848 1592 1 5 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.775 -0.210 25848 1593 1 5 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.245 -0.048 25848 1594 1 5 . 1 1 12 12 VAL H H 12 7.776 7.776 8.100 -0.324 25848 1595 1 5 . 1 1 15 15 LYS N N 15 117.195 117.195 123.422 -6.227 25848 1596 1 5 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.151 0.208 25848 1597 1 5 . 1 1 15 15 LYS C C 15 177.505 177.505 177.582 -0.077 25848 1598 1 5 . 1 1 15 15 LYS CA C 15 59.442 59.442 57.980 1.462 25848 1599 1 5 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.421 0.150 25848 1600 1 5 . 1 1 15 15 LYS H H 15 7.936 7.936 8.545 -0.609 25848 1601 1 5 . 1 1 16 16 ASN N N 16 115.005 115.005 118.092 -3.087 25848 1602 1 5 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.625 0.450 25848 1603 1 5 . 1 1 16 16 ASN C C 16 176.707 176.707 175.302 1.405 25848 1604 1 5 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.734 -1.724 25848 1605 1 5 . 1 1 16 16 ASN CB C 16 39.169 39.169 37.908 1.261 25848 1606 1 5 . 1 1 16 16 ASN H H 16 8.644 8.644 8.514 0.130 25848 1607 1 5 . 1 1 17 17 ASP N N 17 118.040 118.040 117.993 0.047 25848 1608 1 5 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.810 0.053 25848 1609 1 5 . 1 1 17 17 ASP C C 17 176.756 176.756 175.602 1.154 25848 1610 1 5 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.462 0.548 25848 1611 1 5 . 1 1 17 17 ASP H H 17 7.592 7.592 8.187 -0.595 25848 1612 1 5 . 1 1 18 18 CYS N N 18 119.499 119.499 118.048 1.451 25848 1613 1 5 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.226 0.674 25848 1614 1 5 . 1 1 18 18 CYS C C 18 176.186 176.186 174.737 1.449 25848 1615 1 5 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.568 11.319 25848 1616 1 5 . 1 1 18 18 CYS H H 18 8.729 8.729 7.831 0.898 25848 1617 1 5 . 1 1 19 19 CYS N N 19 120.655 120.655 112.668 7.987 25848 1618 1 5 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.383 0.032 25848 1619 1 5 . 1 1 19 19 CYS C C 19 171.719 171.719 172.765 -1.046 25848 1620 1 5 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.104 -3.535 25848 1621 1 5 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.561 11.356 25848 1622 1 5 . 1 1 19 19 CYS H H 19 9.086 9.086 8.217 0.869 25848 1623 1 5 . 1 1 20 20 GLU N N 20 118.445 118.445 123.044 -4.599 25848 1624 1 5 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.320 -0.389 25848 1625 1 5 . 1 1 20 20 GLU C C 20 176.509 176.509 176.267 0.242 25848 1626 1 5 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.773 1.047 25848 1627 1 5 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.905 -0.002 25848 1628 1 5 . 1 1 20 20 GLU H H 20 8.155 8.155 8.876 -0.721 25848 1629 1 5 . 1 1 21 21 GLY N N 21 113.662 113.662 112.569 1.093 25848 1630 1 5 . 1 1 21 21 GLY C C 21 172.614 172.614 172.738 -0.124 25848 1631 1 5 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.250 -0.719 25848 1632 1 5 . 1 1 21 21 GLY H H 21 8.719 8.719 8.472 0.247 25848 1633 1 5 . 1 1 22 22 LEU N N 22 120.372 120.372 119.133 1.239 25848 1634 1 5 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.119 -0.038 25848 1635 1 5 . 1 1 22 22 LEU C C 22 174.927 174.927 175.367 -0.440 25848 1636 1 5 . 1 1 22 22 LEU CA C 22 52.450 52.450 52.975 -0.525 25848 1637 1 5 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.969 -1.458 25848 1638 1 5 . 1 1 22 22 LEU H H 22 7.641 7.641 7.078 0.563 25848 1639 1 5 . 1 1 23 23 GLU N N 23 117.193 117.193 117.879 -0.686 25848 1640 1 5 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.723 -0.015 25848 1641 1 5 . 1 1 23 23 GLU C C 23 173.821 173.821 174.971 -1.150 25848 1642 1 5 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.027 -0.695 25848 1643 1 5 . 1 1 23 23 GLU CB C 23 32.486 32.486 33.145 -0.659 25848 1644 1 5 . 1 1 23 23 GLU H H 23 9.299 9.299 8.697 0.602 25848 1645 1 5 . 1 1 24 24 CYS N N 24 123.260 123.260 121.611 1.649 25848 1646 1 5 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.240 0.561 25848 1647 1 5 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.862 13.433 25848 1648 1 5 . 1 1 24 24 CYS H H 24 8.953 8.953 8.824 0.129 25848 1649 1 5 . 1 1 25 25 TYR N N 25 134.523 134.523 126.491 8.032 25848 1650 1 5 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.635 0.178 25848 1651 1 5 . 1 1 25 25 TYR C C 25 173.768 173.768 174.238 -0.470 25848 1652 1 5 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.731 1.615 25848 1653 1 5 . 1 1 25 25 TYR H H 25 9.338 9.338 8.164 1.174 25848 1654 1 5 . 1 1 26 26 LYS N N 26 127.496 127.496 126.736 0.760 25848 1655 1 5 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.211 -0.115 25848 1656 1 5 . 1 1 26 26 LYS C C 26 174.360 174.360 175.401 -1.041 25848 1657 1 5 . 1 1 26 26 LYS CA C 26 55.938 55.938 55.439 0.499 25848 1658 1 5 . 1 1 26 26 LYS CB C 26 32.667 32.667 32.238 0.429 25848 1659 1 5 . 1 1 26 26 LYS H H 26 8.176 8.176 7.512 0.664 25848 1660 1 5 . 1 1 27 27 ARG N N 27 125.899 125.899 125.768 0.131 25848 1661 1 5 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.548 -0.323 25848 1662 1 5 . 1 1 27 27 ARG C C 27 174.385 174.385 176.495 -2.110 25848 1663 1 5 . 1 1 27 27 ARG CA C 27 55.989 55.989 55.346 0.643 25848 1664 1 5 . 1 1 27 27 ARG CB C 27 32.009 32.009 31.485 0.524 25848 1665 1 5 . 1 1 27 27 ARG H H 27 7.493 7.493 8.235 -0.742 25848 1666 1 5 . 1 1 28 28 ARG N N 28 121.214 121.214 124.553 -3.339 25848 1667 1 5 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.211 -0.299 25848 1668 1 5 . 1 1 28 28 ARG C C 28 176.613 176.613 177.225 -0.612 25848 1669 1 5 . 1 1 28 28 ARG CA C 28 57.614 57.614 58.482 -0.868 25848 1670 1 5 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.358 -0.683 25848 1671 1 5 . 1 1 28 28 ARG H H 28 8.519 8.519 8.790 -0.271 25848 1672 1 5 . 1 1 29 29 HIS N N 29 116.413 116.413 113.344 3.069 25848 1673 1 5 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.686 -0.206 25848 1674 1 5 . 1 1 29 29 HIS C C 29 174.166 174.166 175.390 -1.224 25848 1675 1 5 . 1 1 29 29 HIS CA C 29 56.020 56.020 55.843 0.177 25848 1676 1 5 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.034 -1.900 25848 1677 1 5 . 1 1 29 29 HIS H H 29 8.771 8.771 7.763 1.008 25848 1678 1 5 . 1 1 30 30 SER N N 30 113.403 113.403 116.958 -3.555 25848 1679 1 5 . 1 1 30 30 SER HA H 30 4.469 4.469 4.366 0.103 25848 1680 1 5 . 1 1 30 30 SER C C 30 173.332 173.332 174.778 -1.446 25848 1681 1 5 . 1 1 30 30 SER CA C 30 57.257 57.257 58.150 -0.893 25848 1682 1 5 . 1 1 30 30 SER CB C 30 63.559 63.559 63.974 -0.415 25848 1683 1 5 . 1 1 30 30 SER H H 30 7.826 7.826 7.171 0.655 25848 1684 1 5 . 1 1 31 31 PHE N N 31 118.662 118.662 122.962 -4.300 25848 1685 1 5 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.445 0.348 25848 1686 1 5 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.260 1.052 25848 1687 1 5 . 1 1 31 31 PHE H H 31 7.801 7.801 8.705 -0.904 25848 1688 1 5 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.382 0.228 25848 1689 1 5 . 1 1 32 32 GLU CB C 32 30.289 30.289 31.266 -0.977 25848 1690 1 5 . 1 1 33 33 VAL N N 33 121.027 121.027 115.508 5.519 25848 1691 1 5 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.610 0.491 25848 1692 1 5 . 1 1 33 33 VAL C C 33 175.754 175.754 174.922 0.832 25848 1693 1 5 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.064 -0.519 25848 1694 1 5 . 1 1 33 33 VAL CB C 33 37.464 37.464 34.989 2.475 25848 1695 1 5 . 1 1 33 33 VAL H H 33 8.581 8.581 8.069 0.512 25848 1696 1 5 . 1 1 34 34 CYS N N 34 119.365 119.365 118.464 0.901 25848 1697 1 5 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.515 0.549 25848 1698 1 5 . 1 1 34 34 CYS C C 34 174.853 174.853 175.083 -0.230 25848 1699 1 5 . 1 1 34 34 CYS CA C 34 54.695 54.695 60.224 -5.529 25848 1700 1 5 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.810 14.164 25848 1701 1 5 . 1 1 34 34 CYS H H 34 7.968 7.968 8.601 -0.633 25848 1702 1 5 . 1 1 35 35 VAL N N 35 122.141 122.141 116.358 5.783 25848 1703 1 5 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.121 0.347 25848 1704 1 5 . 1 1 35 35 VAL CA C 35 58.030 58.030 58.093 -0.063 25848 1705 1 5 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.812 -0.596 25848 1706 1 5 . 1 1 35 35 VAL H H 35 9.611 9.611 8.687 0.924 25848 1707 1 5 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.622 -0.224 25848 1708 1 5 . 1 1 36 36 PRO C C 36 176.509 176.509 176.648 -0.139 25848 1709 1 5 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.465 0.855 25848 1710 1 5 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.909 0.203 25848 1711 1 5 . 1 1 37 37 ILE N N 37 125.294 125.294 126.374 -1.080 25848 1712 1 5 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.457 -0.326 25848 1713 1 5 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.057 0.733 25848 1714 1 5 . 1 1 37 37 ILE CB C 37 39.566 39.566 38.468 1.098 25848 1715 1 5 . 1 1 37 37 ILE H H 37 7.927 7.927 7.881 0.046 25848 1716 1 5 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.545 -0.208 25848 1717 1 5 . 1 1 38 38 PRO C C 38 177.800 177.800 177.548 0.252 25848 1718 1 5 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.583 0.511 25848 1719 1 5 . 1 1 38 38 PRO CB C 38 31.731 31.731 32.000 -0.269 25848 1720 1 5 . 1 1 39 39 GLY N N 39 112.745 112.745 112.321 0.424 25848 1721 1 5 . 1 1 39 39 GLY C C 39 174.463 174.463 174.807 -0.344 25848 1722 1 5 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.230 0.233 25848 1723 1 5 . 1 1 39 39 GLY H H 39 8.843 8.843 8.492 0.351 25848 1724 1 5 . 1 1 40 40 PHE N N 40 120.803 120.803 120.173 0.630 25848 1725 1 5 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.460 -0.139 25848 1726 1 5 . 1 1 40 40 PHE C C 40 174.706 174.706 174.632 0.074 25848 1727 1 5 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.239 0.429 25848 1728 1 5 . 1 1 40 40 PHE CB C 40 39.815 39.815 40.051 -0.236 25848 1729 1 5 . 1 1 40 40 PHE H H 40 7.762 7.762 7.554 0.208 25848 1730 1 5 . 1 1 41 41 CYS N N 41 120.807 120.807 120.848 -0.041 25848 1731 1 5 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.633 -0.059 25848 1732 1 5 . 1 1 41 41 CYS C C 41 171.732 171.732 171.877 -0.145 25848 1733 1 5 . 1 1 41 41 CYS CA C 41 53.666 53.666 54.992 -1.326 25848 1734 1 5 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.855 13.255 25848 1735 1 5 . 1 1 41 41 CYS H H 41 7.040 7.040 7.303 -0.263 25848 1736 1 5 . 1 1 42 42 LEU N N 42 119.987 119.987 120.641 -0.654 25848 1737 1 5 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.761 -0.489 25848 1738 1 5 . 1 1 42 42 LEU C C 42 173.872 173.872 175.928 -2.056 25848 1739 1 5 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.336 0.667 25848 1740 1 5 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.528 -0.702 25848 1741 1 5 . 1 1 42 42 LEU H H 42 8.728 8.728 8.093 0.635 25848 1742 1 5 . 1 1 43 43 VAL N N 43 115.632 115.632 117.394 -1.762 25848 1743 1 5 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.393 -0.585 25848 1744 1 5 . 1 1 43 43 VAL C C 43 173.751 173.751 176.364 -2.613 25848 1745 1 5 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.173 0.085 25848 1746 1 5 . 1 1 43 43 VAL CB C 43 32.857 32.857 33.575 -0.718 25848 1747 1 5 . 1 1 43 43 VAL H H 43 7.192 7.192 8.314 -1.122 25848 1748 1 5 . 1 1 44 44 LYS N N 44 117.023 117.023 115.599 1.424 25848 1749 1 5 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.059 -0.829 25848 1750 1 5 . 1 1 44 44 LYS C C 44 176.385 176.385 175.045 1.340 25848 1751 1 5 . 1 1 44 44 LYS CA C 44 58.773 58.773 57.879 0.894 25848 1752 1 5 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.586 0.445 25848 1753 1 5 . 1 1 44 44 LYS H H 44 7.531 7.531 8.564 -1.033 25848 1754 1 5 . 1 1 45 45 TRP N N 45 117.377 117.377 117.590 -0.213 25848 1755 1 5 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.793 -0.346 25848 1756 1 5 . 1 1 45 45 TRP C C 45 175.675 175.675 175.551 0.124 25848 1757 1 5 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.051 1.970 25848 1758 1 5 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.256 -2.261 25848 1759 1 5 . 1 1 45 45 TRP H H 45 9.364 9.364 7.494 1.870 25848 1760 1 5 . 1 1 46 46 LYS N N 46 119.913 119.913 120.097 -0.184 25848 1761 1 5 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.754 -0.364 25848 1762 1 5 . 1 1 46 46 LYS C C 46 176.776 176.776 176.043 0.733 25848 1763 1 5 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.744 0.417 25848 1764 1 5 . 1 1 46 46 LYS CB C 46 33.666 33.666 34.953 -1.287 25848 1765 1 5 . 1 1 46 46 LYS H H 46 7.985 7.985 7.417 0.568 25848 1766 1 5 . 1 1 47 47 GLN N N 47 121.031 121.031 120.526 0.505 25848 1767 1 5 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.324 0.555 25848 1768 1 5 . 1 1 47 47 GLN C C 47 177.118 177.118 176.720 0.398 25848 1769 1 5 . 1 1 47 47 GLN CB C 47 28.555 28.555 29.037 -0.482 25848 1770 1 5 . 1 1 47 47 GLN H H 47 8.623 8.623 8.784 -0.161 25848 1771 1 5 . 1 1 48 48 CYS N N 48 115.456 115.456 119.325 -3.869 25848 1772 1 5 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.863 -0.107 25848 1773 1 5 . 1 1 48 48 CYS C C 48 173.978 173.978 175.472 -1.494 25848 1774 1 5 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.802 14.187 25848 1775 1 5 . 1 1 48 48 CYS H H 48 8.365 8.365 8.433 -0.068 25848 1776 1 5 . 1 1 49 49 ASP N N 49 123.208 123.208 124.628 -1.420 25848 1777 1 5 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.406 0.042 25848 1778 1 5 . 1 1 49 49 ASP C C 49 177.773 177.773 177.216 0.557 25848 1779 1 5 . 1 1 49 49 ASP CA C 49 56.988 56.988 55.792 1.196 25848 1780 1 5 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.213 0.867 25848 1781 1 5 . 1 1 49 49 ASP H H 49 7.839 7.839 7.701 0.138 25848 1782 1 5 . 1 1 50 50 GLY N N 50 115.583 115.583 114.538 1.045 25848 1783 1 5 . 1 1 50 50 GLY C C 50 173.522 173.522 175.195 -1.673 25848 1784 1 5 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.589 0.695 25848 1785 1 5 . 1 1 50 50 GLY H H 50 9.371 9.371 8.968 0.403 25848 1786 1 5 . 1 1 51 51 ARG N N 51 122.794 122.794 122.257 0.537 25848 1787 1 5 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.645 0.013 25848 1788 1 5 . 1 1 51 51 ARG C C 51 176.977 176.977 176.915 0.062 25848 1789 1 5 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.424 0.328 25848 1790 1 5 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.547 1.536 25848 1791 1 5 . 1 1 51 51 ARG H H 51 8.199 8.199 8.054 0.145 25848 1792 1 5 . 1 1 52 52 GLU N N 52 117.957 117.957 118.385 -0.428 25848 1793 1 5 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.110 -0.036 25848 1794 1 5 . 1 1 52 52 GLU C C 52 178.254 178.254 176.502 1.752 25848 1795 1 5 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.690 2.540 25848 1796 1 5 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.027 -0.219 25848 1797 1 5 . 1 1 52 52 GLU H H 52 8.992 8.992 8.643 0.348 25848 1798 1 5 . 1 1 53 53 ARG N N 53 116.423 116.423 116.980 -0.557 25848 1799 1 5 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.540 0.024 25848 1800 1 5 . 1 1 53 53 ARG C C 53 177.327 177.327 175.408 1.919 25848 1801 1 5 . 1 1 53 53 ARG CA C 53 55.480 55.480 56.060 -0.580 25848 1802 1 5 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.119 -0.854 25848 1803 1 5 . 1 1 53 53 ARG H H 53 8.513 8.513 7.976 0.537 25848 1804 1 5 . 1 1 54 54 ASP N N 54 118.043 118.043 120.103 -2.060 25848 1805 1 5 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.805 0.010 25848 1806 1 5 . 1 1 54 54 ASP C C 54 176.941 176.941 175.290 1.651 25848 1807 1 5 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.746 -2.999 25848 1808 1 5 . 1 1 54 54 ASP H H 54 7.933 7.933 8.097 -0.164 25848 1809 1 5 . 1 1 55 55 CYS N N 55 118.999 118.999 118.456 0.543 25848 1810 1 5 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.162 0.815 25848 1811 1 5 . 1 1 55 55 CYS C C 55 175.757 175.757 175.374 0.383 25848 1812 1 5 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.991 -5.002 25848 1813 1 5 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.235 11.200 25848 1814 1 5 . 1 1 55 55 CYS H H 55 8.222 8.222 7.581 0.641 25848 1815 1 5 . 1 1 56 56 CYS N N 56 121.139 121.139 120.023 1.116 25848 1816 1 5 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.337 -0.003 25848 1817 1 5 . 1 1 56 56 CYS C C 56 171.957 171.957 175.531 -3.574 25848 1818 1 5 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.761 -5.269 25848 1819 1 5 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.387 12.627 25848 1820 1 5 . 1 1 56 56 CYS H H 56 8.999 8.999 8.096 0.903 25848 1821 1 5 . 1 1 57 57 ALA N N 57 120.553 120.553 124.061 -3.508 25848 1822 1 5 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.195 -0.122 25848 1823 1 5 . 1 1 57 57 ALA C C 57 178.248 178.248 178.392 -0.144 25848 1824 1 5 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.129 0.635 25848 1825 1 5 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.780 -0.383 25848 1826 1 5 . 1 1 57 57 ALA H H 57 8.084 8.084 8.480 -0.396 25848 1827 1 5 . 1 1 58 58 GLY N N 58 110.247 110.247 111.487 -1.240 25848 1828 1 5 . 1 1 58 58 GLY C C 58 173.204 173.204 174.481 -1.277 25848 1829 1 5 . 1 1 58 58 GLY CA C 58 44.758 44.758 45.159 -0.401 25848 1830 1 5 . 1 1 58 58 GLY H H 58 8.713 8.713 8.651 0.062 25848 1831 1 5 . 1 1 59 59 LEU N N 59 120.155 120.155 121.753 -1.598 25848 1832 1 5 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.607 0.359 25848 1833 1 5 . 1 1 59 59 LEU C C 59 175.349 175.349 176.105 -0.756 25848 1834 1 5 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.639 -2.194 25848 1835 1 5 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.774 0.710 25848 1836 1 5 . 1 1 59 59 LEU H H 59 7.901 7.901 7.357 0.544 25848 1837 1 5 . 1 1 60 60 GLU N N 60 117.726 117.726 115.353 2.373 25848 1838 1 5 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.403 0.276 25848 1839 1 5 . 1 1 60 60 GLU C C 60 174.016 174.016 174.536 -0.520 25848 1840 1 5 . 1 1 60 60 GLU CB C 60 32.595 32.595 31.929 0.666 25848 1841 1 5 . 1 1 60 60 GLU H H 60 9.145 9.145 8.030 1.115 25848 1842 1 5 . 1 1 61 61 CYS N N 61 122.299 122.299 123.107 -0.808 25848 1843 1 5 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.397 0.449 25848 1844 1 5 . 1 1 61 61 CYS C C 61 173.374 173.374 174.850 -1.476 25848 1845 1 5 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.334 14.140 25848 1846 1 5 . 1 1 61 61 CYS H H 61 9.064 9.064 9.017 0.047 25848 1847 1 5 . 1 1 62 62 TRP N N 62 135.668 135.668 130.786 4.882 25848 1848 1 5 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.598 0.300 25848 1849 1 5 . 1 1 62 62 TRP C C 62 174.430 174.430 174.899 -0.469 25848 1850 1 5 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.205 1.261 25848 1851 1 5 . 1 1 62 62 TRP CB C 62 30.985 30.985 31.019 -0.034 25848 1852 1 5 . 1 1 62 62 TRP H H 62 9.434 9.434 8.467 0.967 25848 1853 1 5 . 1 1 63 63 LYS N N 63 128.624 128.624 127.826 0.798 25848 1854 1 5 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.352 -0.005 25848 1855 1 5 . 1 1 63 63 LYS C C 63 175.409 175.409 175.544 -0.135 25848 1856 1 5 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.109 0.512 25848 1857 1 5 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.387 0.131 25848 1858 1 5 . 1 1 63 63 LYS H H 63 8.392 8.392 8.534 -0.142 25848 1859 1 5 . 1 1 64 64 ARG N N 64 125.507 125.507 124.077 1.430 25848 1860 1 5 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.302 -0.367 25848 1861 1 5 . 1 1 64 64 ARG C C 64 175.704 175.704 174.832 0.872 25848 1862 1 5 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.431 0.423 25848 1863 1 5 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.007 0.489 25848 1864 1 5 . 1 1 64 64 ARG H H 64 7.877 7.877 8.087 -0.210 25848 1865 1 5 . 1 1 65 65 SER N N 65 115.709 115.709 118.407 -2.698 25848 1866 1 5 . 1 1 65 65 SER HA H 65 4.306 4.306 4.709 -0.403 25848 1867 1 5 . 1 1 65 65 SER C C 65 175.289 175.289 174.814 0.475 25848 1868 1 5 . 1 1 65 65 SER CA C 65 58.778 58.778 57.773 1.005 25848 1869 1 5 . 1 1 65 65 SER CB C 65 63.667 63.667 64.354 -0.687 25848 1870 1 5 . 1 1 65 65 SER H H 65 8.198 8.198 8.392 -0.194 25848 1871 1 5 . 1 1 66 66 GLY N N 66 110.671 110.671 114.418 -3.747 25848 1872 1 5 . 1 1 66 66 GLY C C 66 174.634 174.634 174.657 -0.023 25848 1873 1 5 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.159 0.921 25848 1874 1 5 . 1 1 66 66 GLY H H 66 8.675 8.675 8.795 -0.120 25848 1875 1 5 . 1 1 67 67 ASN N N 67 118.608 118.608 117.995 0.613 25848 1876 1 5 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.856 -0.194 25848 1877 1 5 . 1 1 67 67 ASN C C 67 175.108 175.108 175.758 -0.650 25848 1878 1 5 . 1 1 67 67 ASN CA C 67 52.755 52.755 53.882 -1.127 25848 1879 1 5 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.750 -1.250 25848 1880 1 5 . 1 1 67 67 ASN H H 67 8.374 8.374 8.371 0.003 25848 1881 1 5 . 1 1 68 68 LYS N N 68 119.218 119.218 118.963 0.255 25848 1882 1 5 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.444 -0.114 25848 1883 1 5 . 1 1 68 68 LYS C C 68 176.405 176.405 175.350 1.055 25848 1884 1 5 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.466 0.941 25848 1885 1 5 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.327 -0.420 25848 1886 1 5 . 1 1 68 68 LYS H H 68 7.816 7.816 7.623 0.193 25848 1887 1 5 . 1 1 69 69 SER N N 69 115.165 115.165 115.564 -0.399 25848 1888 1 5 . 1 1 69 69 SER HA H 69 4.615 4.615 4.329 0.286 25848 1889 1 5 . 1 1 69 69 SER C C 69 174.381 174.381 174.184 0.197 25848 1890 1 5 . 1 1 69 69 SER CA C 69 57.773 57.773 58.854 -1.081 25848 1891 1 5 . 1 1 69 69 SER CB C 69 64.533 64.533 63.781 0.752 25848 1892 1 5 . 1 1 69 69 SER H H 69 8.176 8.176 8.273 -0.097 25848 1893 1 5 . 1 1 70 70 SER N N 70 121.583 121.583 116.408 5.175 25848 1894 1 5 . 1 1 70 70 SER HA H 70 5.011 5.011 4.373 0.638 25848 1895 1 5 . 1 1 70 70 SER C C 70 175.256 175.256 174.554 0.702 25848 1896 1 5 . 1 1 70 70 SER CA C 70 58.455 58.455 58.322 0.133 25848 1897 1 5 . 1 1 70 70 SER CB C 70 63.987 63.987 63.407 0.580 25848 1898 1 5 . 1 1 70 70 SER H H 70 9.539 9.539 8.282 1.257 25848 1899 1 5 . 1 1 71 71 VAL N N 71 115.977 115.977 118.926 -2.949 25848 1900 1 5 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.802 0.536 25848 1901 1 5 . 1 1 71 71 VAL C C 71 176.220 176.220 175.085 1.135 25848 1902 1 5 . 1 1 71 71 VAL CA C 71 58.655 58.655 59.558 -0.903 25848 1903 1 5 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.996 2.426 25848 1904 1 5 . 1 1 71 71 VAL H H 71 8.502 8.502 7.786 0.716 25848 1905 1 5 . 1 1 72 72 CYS N N 72 120.794 120.794 118.652 2.142 25848 1906 1 5 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.540 -0.515 25848 1907 1 5 . 1 1 72 72 CYS C C 72 174.142 174.142 174.555 -0.413 25848 1908 1 5 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.881 -3.416 25848 1909 1 5 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.117 9.341 25848 1910 1 5 . 1 1 72 72 CYS H H 72 8.557 8.557 8.075 0.482 25848 1911 1 5 . 1 1 73 73 ALA N N 73 130.318 130.318 125.496 4.822 25848 1912 1 5 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.756 -0.296 25848 1913 1 5 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.489 0.108 25848 1914 1 5 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.351 1.183 25848 1915 1 5 . 1 1 73 73 ALA H H 73 9.629 9.629 8.797 0.832 25848 1916 1 5 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.501 -0.001 25848 1917 1 5 . 1 1 74 74 PRO C C 74 176.504 176.504 176.602 -0.098 25848 1918 1 5 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.949 1.270 25848 1919 1 5 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.218 -0.315 25848 1920 1 5 . 1 1 75 75 ILE N N 75 122.019 122.019 113.240 8.779 25848 1921 1 5 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.103 -0.159 25848 1922 1 5 . 1 1 75 75 ILE C C 75 175.793 175.793 176.926 -1.133 25848 1923 1 5 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.449 0.897 25848 1924 1 5 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.735 1.234 25848 1925 1 5 . 1 1 75 75 ILE H H 75 7.769 7.769 7.815 -0.046 25848 1926 1 6 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.944 -0.233 25848 1927 1 6 . 1 1 2 2 ASN C C 2 174.785 174.785 175.141 -0.356 25848 1928 1 6 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.130 -0.310 25848 1929 1 6 . 1 1 3 3 GLU N N 3 121.744 121.744 123.291 -1.547 25848 1930 1 6 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.312 0.036 25848 1931 1 6 . 1 1 3 3 GLU C C 3 176.060 176.060 176.402 -0.342 25848 1932 1 6 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.510 -0.242 25848 1933 1 6 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.607 -0.420 25848 1934 1 6 . 1 1 3 3 GLU H H 3 8.470 8.470 8.596 -0.126 25848 1935 1 6 . 1 1 4 4 CYS N N 4 119.765 119.765 115.790 3.975 25848 1936 1 6 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.695 0.102 25848 1937 1 6 . 1 1 4 4 CYS C C 4 173.263 173.263 175.290 -2.027 25848 1938 1 6 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.355 12.946 25848 1939 1 6 . 1 1 4 4 CYS H H 4 8.317 8.317 8.416 -0.099 25848 1940 1 6 . 1 1 5 5 ILE N N 5 122.940 122.940 122.525 0.415 25848 1941 1 6 . 1 1 5 5 ILE HA H 5 3.888 3.888 3.997 -0.109 25848 1942 1 6 . 1 1 5 5 ILE C C 5 173.890 173.890 175.772 -1.882 25848 1943 1 6 . 1 1 5 5 ILE CA C 5 62.516 62.516 62.086 0.430 25848 1944 1 6 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.336 0.945 25848 1945 1 6 . 1 1 5 5 ILE H H 5 8.912 8.912 8.145 0.767 25848 1946 1 6 . 1 1 6 6 ARG N N 6 125.981 125.981 127.522 -1.541 25848 1947 1 6 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.131 -0.269 25848 1948 1 6 . 1 1 6 6 ARG C C 6 174.259 174.259 176.148 -1.889 25848 1949 1 6 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.556 -0.538 25848 1950 1 6 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.508 1.269 25848 1951 1 6 . 1 1 6 6 ARG H H 6 7.528 7.528 8.453 -0.925 25848 1952 1 6 . 1 1 7 7 LYS N N 7 116.267 116.267 121.942 -5.675 25848 1953 1 6 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.963 -0.677 25848 1954 1 6 . 1 1 7 7 LYS C C 7 175.417 175.417 176.793 -1.376 25848 1955 1 6 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.298 1.024 25848 1956 1 6 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.952 -0.281 25848 1957 1 6 . 1 1 7 7 LYS H H 7 7.558 7.558 8.366 -0.808 25848 1958 1 6 . 1 1 8 8 TRP N N 8 115.300 115.300 121.869 -6.569 25848 1959 1 6 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.400 -0.140 25848 1960 1 6 . 1 1 8 8 TRP C C 8 175.069 175.069 175.617 -0.548 25848 1961 1 6 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.059 -0.051 25848 1962 1 6 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.986 0.701 25848 1963 1 6 . 1 1 8 8 TRP H H 8 9.357 9.357 8.128 1.229 25848 1964 1 6 . 1 1 9 9 LEU N N 9 120.240 120.240 119.875 0.365 25848 1965 1 6 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.697 -0.000 25848 1966 1 6 . 1 1 9 9 LEU C C 9 176.636 176.636 175.957 0.679 25848 1967 1 6 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.523 -2.275 25848 1968 1 6 . 1 1 9 9 LEU H H 9 7.701 7.701 7.849 -0.148 25848 1969 1 6 . 1 1 10 10 SER N N 10 110.077 110.077 111.664 -1.587 25848 1970 1 6 . 1 1 10 10 SER HA H 10 4.704 4.704 4.713 -0.009 25848 1971 1 6 . 1 1 10 10 SER CB C 10 64.064 64.064 64.174 -0.110 25848 1972 1 6 . 1 1 10 10 SER H H 10 8.148 8.148 8.248 -0.100 25848 1973 1 6 . 1 1 11 11 CYS N N 11 121.141 121.141 122.870 -1.729 25848 1974 1 6 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.906 -0.036 25848 1975 1 6 . 1 1 11 11 CYS CB C 11 44.031 44.031 28.303 15.728 25848 1976 1 6 . 1 1 11 11 CYS H H 11 8.580 8.580 8.597 -0.017 25848 1977 1 6 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.751 -0.186 25848 1978 1 6 . 1 1 12 12 VAL CA C 12 65.197 65.197 64.456 0.741 25848 1979 1 6 . 1 1 12 12 VAL H H 12 7.776 7.776 8.130 -0.354 25848 1980 1 6 . 1 1 15 15 LYS N N 15 117.195 117.195 118.988 -1.793 25848 1981 1 6 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.022 0.337 25848 1982 1 6 . 1 1 15 15 LYS C C 15 177.505 177.505 177.967 -0.462 25848 1983 1 6 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.344 1.098 25848 1984 1 6 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.129 0.442 25848 1985 1 6 . 1 1 15 15 LYS H H 15 7.936 7.936 8.485 -0.549 25848 1986 1 6 . 1 1 16 16 ASN N N 16 115.005 115.005 115.154 -0.149 25848 1987 1 6 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.572 0.503 25848 1988 1 6 . 1 1 16 16 ASN C C 16 176.707 176.707 175.390 1.317 25848 1989 1 6 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.693 -1.683 25848 1990 1 6 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.373 0.796 25848 1991 1 6 . 1 1 16 16 ASN H H 16 8.644 8.644 8.561 0.083 25848 1992 1 6 . 1 1 17 17 ASP N N 17 118.040 118.040 119.394 -1.354 25848 1993 1 6 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.808 0.055 25848 1994 1 6 . 1 1 17 17 ASP C C 17 176.756 176.756 175.780 0.976 25848 1995 1 6 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.601 0.409 25848 1996 1 6 . 1 1 17 17 ASP H H 17 7.592 7.592 7.807 -0.215 25848 1997 1 6 . 1 1 18 18 CYS N N 18 119.499 119.499 117.964 1.535 25848 1998 1 6 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.158 0.742 25848 1999 1 6 . 1 1 18 18 CYS C C 18 176.186 176.186 174.670 1.516 25848 2000 1 6 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.398 11.489 25848 2001 1 6 . 1 1 18 18 CYS H H 18 8.729 8.729 7.812 0.917 25848 2002 1 6 . 1 1 19 19 CYS N N 19 120.655 120.655 112.421 8.234 25848 2003 1 6 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.382 0.033 25848 2004 1 6 . 1 1 19 19 CYS C C 19 171.719 171.719 172.741 -1.022 25848 2005 1 6 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.076 -3.507 25848 2006 1 6 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.877 11.040 25848 2007 1 6 . 1 1 19 19 CYS H H 19 9.086 9.086 8.205 0.881 25848 2008 1 6 . 1 1 20 20 GLU N N 20 118.445 118.445 123.248 -4.803 25848 2009 1 6 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.251 -0.320 25848 2010 1 6 . 1 1 20 20 GLU C C 20 176.509 176.509 176.415 0.094 25848 2011 1 6 . 1 1 20 20 GLU CA C 20 57.820 57.820 57.200 0.620 25848 2012 1 6 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.591 0.312 25848 2013 1 6 . 1 1 20 20 GLU H H 20 8.155 8.155 8.813 -0.658 25848 2014 1 6 . 1 1 21 21 GLY N N 21 113.662 113.662 112.684 0.978 25848 2015 1 6 . 1 1 21 21 GLY C C 21 172.614 172.614 172.859 -0.245 25848 2016 1 6 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.150 -0.619 25848 2017 1 6 . 1 1 21 21 GLY H H 21 8.719 8.719 8.400 0.319 25848 2018 1 6 . 1 1 22 22 LEU N N 22 120.372 120.372 118.971 1.401 25848 2019 1 6 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.134 -0.053 25848 2020 1 6 . 1 1 22 22 LEU C C 22 174.927 174.927 175.445 -0.518 25848 2021 1 6 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.012 -0.562 25848 2022 1 6 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.989 -1.478 25848 2023 1 6 . 1 1 22 22 LEU H H 22 7.641 7.641 7.092 0.549 25848 2024 1 6 . 1 1 23 23 GLU N N 23 117.193 117.193 118.243 -1.050 25848 2025 1 6 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.711 -0.003 25848 2026 1 6 . 1 1 23 23 GLU C C 23 173.821 173.821 174.607 -0.786 25848 2027 1 6 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.090 -0.758 25848 2028 1 6 . 1 1 23 23 GLU CB C 23 32.486 32.486 33.152 -0.666 25848 2029 1 6 . 1 1 23 23 GLU H H 23 9.299 9.299 8.524 0.775 25848 2030 1 6 . 1 1 24 24 CYS N N 24 123.260 123.260 120.411 2.849 25848 2031 1 6 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.413 0.388 25848 2032 1 6 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.622 13.673 25848 2033 1 6 . 1 1 24 24 CYS H H 24 8.953 8.953 8.790 0.163 25848 2034 1 6 . 1 1 25 25 TYR N N 25 134.523 134.523 127.584 6.939 25848 2035 1 6 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.705 0.108 25848 2036 1 6 . 1 1 25 25 TYR C C 25 173.768 173.768 174.127 -0.359 25848 2037 1 6 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.729 1.617 25848 2038 1 6 . 1 1 25 25 TYR H H 25 9.338 9.338 8.353 0.985 25848 2039 1 6 . 1 1 26 26 LYS N N 26 127.496 127.496 122.633 4.863 25848 2040 1 6 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.748 -0.652 25848 2041 1 6 . 1 1 26 26 LYS C C 26 174.360 174.360 175.764 -1.404 25848 2042 1 6 . 1 1 26 26 LYS CA C 26 55.938 55.938 54.392 1.546 25848 2043 1 6 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.633 -0.966 25848 2044 1 6 . 1 1 26 26 LYS H H 26 8.176 8.176 7.488 0.688 25848 2045 1 6 . 1 1 27 27 ARG N N 27 125.899 125.899 125.729 0.170 25848 2046 1 6 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.852 -0.627 25848 2047 1 6 . 1 1 27 27 ARG C C 27 174.385 174.385 176.115 -1.730 25848 2048 1 6 . 1 1 27 27 ARG CA C 27 55.989 55.989 54.782 1.207 25848 2049 1 6 . 1 1 27 27 ARG CB C 27 32.009 32.009 32.422 -0.413 25848 2050 1 6 . 1 1 27 27 ARG H H 27 7.493 7.493 8.704 -1.211 25848 2051 1 6 . 1 1 28 28 ARG N N 28 121.214 121.214 120.353 0.861 25848 2052 1 6 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.331 -0.419 25848 2053 1 6 . 1 1 28 28 ARG C C 28 176.613 176.613 177.145 -0.532 25848 2054 1 6 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.496 0.117 25848 2055 1 6 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.460 -0.785 25848 2056 1 6 . 1 1 28 28 ARG H H 28 8.519 8.519 8.802 -0.283 25848 2057 1 6 . 1 1 29 29 HIS N N 29 116.413 116.413 117.266 -0.853 25848 2058 1 6 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.747 -0.267 25848 2059 1 6 . 1 1 29 29 HIS C C 29 174.166 174.166 175.063 -0.897 25848 2060 1 6 . 1 1 29 29 HIS CA C 29 56.020 56.020 56.103 -0.083 25848 2061 1 6 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.777 -2.643 25848 2062 1 6 . 1 1 29 29 HIS H H 29 8.771 8.771 8.061 0.710 25848 2063 1 6 . 1 1 30 30 SER N N 30 113.403 113.403 118.001 -4.598 25848 2064 1 6 . 1 1 30 30 SER HA H 30 4.469 4.469 4.486 -0.017 25848 2065 1 6 . 1 1 30 30 SER C C 30 173.332 173.332 174.278 -0.946 25848 2066 1 6 . 1 1 30 30 SER CA C 30 57.257 57.257 58.151 -0.894 25848 2067 1 6 . 1 1 30 30 SER CB C 30 63.559 63.559 63.817 -0.258 25848 2068 1 6 . 1 1 30 30 SER H H 30 7.826 7.826 8.011 -0.185 25848 2069 1 6 . 1 1 31 31 PHE N N 31 118.662 118.662 120.041 -1.379 25848 2070 1 6 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.532 0.261 25848 2071 1 6 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.406 0.906 25848 2072 1 6 . 1 1 31 31 PHE H H 31 7.801 7.801 8.345 -0.544 25848 2073 1 6 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.300 0.310 25848 2074 1 6 . 1 1 32 32 GLU CB C 32 30.289 30.289 30.284 0.005 25848 2075 1 6 . 1 1 33 33 VAL N N 33 121.027 121.027 116.205 4.822 25848 2076 1 6 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.658 0.443 25848 2077 1 6 . 1 1 33 33 VAL C C 33 175.754 175.754 175.317 0.437 25848 2078 1 6 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.504 -0.959 25848 2079 1 6 . 1 1 33 33 VAL CB C 33 37.464 37.464 34.988 2.476 25848 2080 1 6 . 1 1 33 33 VAL H H 33 8.581 8.581 8.178 0.403 25848 2081 1 6 . 1 1 34 34 CYS N N 34 119.365 119.365 118.982 0.383 25848 2082 1 6 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.637 0.427 25848 2083 1 6 . 1 1 34 34 CYS C C 34 174.853 174.853 175.022 -0.169 25848 2084 1 6 . 1 1 34 34 CYS CA C 34 54.695 54.695 60.427 -5.732 25848 2085 1 6 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.913 14.061 25848 2086 1 6 . 1 1 34 34 CYS H H 34 7.968 7.968 8.671 -0.703 25848 2087 1 6 . 1 1 35 35 VAL N N 35 122.141 122.141 117.008 5.133 25848 2088 1 6 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.039 0.429 25848 2089 1 6 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.953 0.077 25848 2090 1 6 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.404 -0.188 25848 2091 1 6 . 1 1 35 35 VAL H H 35 9.611 9.611 8.680 0.931 25848 2092 1 6 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.613 -0.215 25848 2093 1 6 . 1 1 36 36 PRO C C 36 176.509 176.509 176.671 -0.162 25848 2094 1 6 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.375 0.945 25848 2095 1 6 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.805 0.307 25848 2096 1 6 . 1 1 37 37 ILE N N 37 125.294 125.294 126.631 -1.337 25848 2097 1 6 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.395 -0.264 25848 2098 1 6 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.300 0.490 25848 2099 1 6 . 1 1 37 37 ILE CB C 37 39.566 39.566 38.345 1.221 25848 2100 1 6 . 1 1 37 37 ILE H H 37 7.927 7.927 7.918 0.009 25848 2101 1 6 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.531 -0.194 25848 2102 1 6 . 1 1 38 38 PRO C C 38 177.800 177.800 177.532 0.268 25848 2103 1 6 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.612 0.482 25848 2104 1 6 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.879 -0.148 25848 2105 1 6 . 1 1 39 39 GLY N N 39 112.745 112.745 112.691 0.054 25848 2106 1 6 . 1 1 39 39 GLY C C 39 174.463 174.463 174.800 -0.337 25848 2107 1 6 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.123 0.340 25848 2108 1 6 . 1 1 39 39 GLY H H 39 8.843 8.843 8.500 0.343 25848 2109 1 6 . 1 1 40 40 PHE N N 40 120.803 120.803 120.165 0.638 25848 2110 1 6 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.458 -0.137 25848 2111 1 6 . 1 1 40 40 PHE C C 40 174.706 174.706 175.057 -0.351 25848 2112 1 6 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.377 0.291 25848 2113 1 6 . 1 1 40 40 PHE CB C 40 39.815 39.815 39.911 -0.096 25848 2114 1 6 . 1 1 40 40 PHE H H 40 7.762 7.762 7.565 0.197 25848 2115 1 6 . 1 1 41 41 CYS N N 41 120.807 120.807 121.565 -0.758 25848 2116 1 6 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.455 0.119 25848 2117 1 6 . 1 1 41 41 CYS C C 41 171.732 171.732 171.671 0.061 25848 2118 1 6 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.241 -1.575 25848 2119 1 6 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.557 13.552 25848 2120 1 6 . 1 1 41 41 CYS H H 41 7.040 7.040 7.332 -0.292 25848 2121 1 6 . 1 1 42 42 LEU N N 42 119.987 119.987 121.000 -1.013 25848 2122 1 6 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.772 -0.500 25848 2123 1 6 . 1 1 42 42 LEU C C 42 173.872 173.872 175.980 -2.108 25848 2124 1 6 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.325 0.678 25848 2125 1 6 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.261 -0.435 25848 2126 1 6 . 1 1 42 42 LEU H H 42 8.728 8.728 8.124 0.604 25848 2127 1 6 . 1 1 43 43 VAL N N 43 115.632 115.632 117.339 -1.707 25848 2128 1 6 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.385 -0.577 25848 2129 1 6 . 1 1 43 43 VAL C C 43 173.751 173.751 176.357 -2.606 25848 2130 1 6 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.327 -0.069 25848 2131 1 6 . 1 1 43 43 VAL CB C 43 32.857 32.857 33.728 -0.871 25848 2132 1 6 . 1 1 43 43 VAL H H 43 7.192 7.192 8.271 -1.079 25848 2133 1 6 . 1 1 44 44 LYS N N 44 117.023 117.023 117.473 -0.450 25848 2134 1 6 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.123 -0.893 25848 2135 1 6 . 1 1 44 44 LYS C C 44 176.385 176.385 175.479 0.906 25848 2136 1 6 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.309 0.464 25848 2137 1 6 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.622 0.408 25848 2138 1 6 . 1 1 44 44 LYS H H 44 7.531 7.531 8.609 -1.078 25848 2139 1 6 . 1 1 45 45 TRP N N 45 117.377 117.377 118.080 -0.703 25848 2140 1 6 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.792 -0.345 25848 2141 1 6 . 1 1 45 45 TRP C C 45 175.675 175.675 175.056 0.619 25848 2142 1 6 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.092 1.929 25848 2143 1 6 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.725 -2.730 25848 2144 1 6 . 1 1 45 45 TRP H H 45 9.364 9.364 7.617 1.747 25848 2145 1 6 . 1 1 46 46 LYS N N 46 119.913 119.913 120.043 -0.130 25848 2146 1 6 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.747 -0.357 25848 2147 1 6 . 1 1 46 46 LYS C C 46 176.776 176.776 175.999 0.777 25848 2148 1 6 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.767 0.393 25848 2149 1 6 . 1 1 46 46 LYS CB C 46 33.666 33.666 34.923 -1.257 25848 2150 1 6 . 1 1 46 46 LYS H H 46 7.985 7.985 7.421 0.564 25848 2151 1 6 . 1 1 47 47 GLN N N 47 121.031 121.031 120.259 0.772 25848 2152 1 6 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.348 0.531 25848 2153 1 6 . 1 1 47 47 GLN C C 47 177.118 177.118 176.753 0.365 25848 2154 1 6 . 1 1 47 47 GLN CB C 47 28.555 28.555 29.036 -0.481 25848 2155 1 6 . 1 1 47 47 GLN H H 47 8.623 8.623 8.762 -0.139 25848 2156 1 6 . 1 1 48 48 CYS N N 48 115.456 115.456 120.419 -4.963 25848 2157 1 6 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.827 -0.071 25848 2158 1 6 . 1 1 48 48 CYS C C 48 173.978 173.978 175.495 -1.517 25848 2159 1 6 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.200 14.789 25848 2160 1 6 . 1 1 48 48 CYS H H 48 8.365 8.365 8.390 -0.026 25848 2161 1 6 . 1 1 49 49 ASP N N 49 123.208 123.208 123.229 -0.021 25848 2162 1 6 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.412 0.036 25848 2163 1 6 . 1 1 49 49 ASP C C 49 177.773 177.773 177.611 0.162 25848 2164 1 6 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.719 0.269 25848 2165 1 6 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.754 0.326 25848 2166 1 6 . 1 1 49 49 ASP H H 49 7.839 7.839 7.737 0.102 25848 2167 1 6 . 1 1 50 50 GLY N N 50 115.583 115.583 114.949 0.634 25848 2168 1 6 . 1 1 50 50 GLY C C 50 173.522 173.522 175.126 -1.604 25848 2169 1 6 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.610 0.674 25848 2170 1 6 . 1 1 50 50 GLY H H 50 9.371 9.371 8.962 0.409 25848 2171 1 6 . 1 1 51 51 ARG N N 51 122.794 122.794 122.503 0.291 25848 2172 1 6 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.637 0.021 25848 2173 1 6 . 1 1 51 51 ARG C C 51 176.977 176.977 176.673 0.304 25848 2174 1 6 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.497 0.255 25848 2175 1 6 . 1 1 51 51 ARG CB C 51 31.083 31.083 30.068 1.015 25848 2176 1 6 . 1 1 51 51 ARG H H 51 8.199 8.199 8.060 0.139 25848 2177 1 6 . 1 1 52 52 GLU N N 52 117.957 117.957 118.920 -0.963 25848 2178 1 6 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.092 -0.018 25848 2179 1 6 . 1 1 52 52 GLU C C 52 178.254 178.254 176.474 1.780 25848 2180 1 6 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.656 2.574 25848 2181 1 6 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.194 -0.386 25848 2182 1 6 . 1 1 52 52 GLU H H 52 8.992 8.992 8.683 0.309 25848 2183 1 6 . 1 1 53 53 ARG N N 53 116.423 116.423 116.746 -0.323 25848 2184 1 6 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.556 0.008 25848 2185 1 6 . 1 1 53 53 ARG C C 53 177.327 177.327 175.249 2.078 25848 2186 1 6 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.993 -0.513 25848 2187 1 6 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.151 -0.886 25848 2188 1 6 . 1 1 53 53 ARG H H 53 8.513 8.513 7.937 0.576 25848 2189 1 6 . 1 1 54 54 ASP N N 54 118.043 118.043 120.188 -2.145 25848 2190 1 6 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.795 0.020 25848 2191 1 6 . 1 1 54 54 ASP C C 54 176.941 176.941 175.375 1.566 25848 2192 1 6 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.134 -2.387 25848 2193 1 6 . 1 1 54 54 ASP H H 54 7.933 7.933 7.993 -0.060 25848 2194 1 6 . 1 1 55 55 CYS N N 55 118.999 118.999 117.783 1.216 25848 2195 1 6 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.191 0.786 25848 2196 1 6 . 1 1 55 55 CYS C C 55 175.757 175.757 175.466 0.291 25848 2197 1 6 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.953 -4.964 25848 2198 1 6 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.206 11.228 25848 2199 1 6 . 1 1 55 55 CYS H H 55 8.222 8.222 7.505 0.717 25848 2200 1 6 . 1 1 56 56 CYS N N 56 121.139 121.139 120.090 1.049 25848 2201 1 6 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.322 0.012 25848 2202 1 6 . 1 1 56 56 CYS C C 56 171.957 171.957 175.500 -3.543 25848 2203 1 6 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.768 -5.277 25848 2204 1 6 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.363 12.650 25848 2205 1 6 . 1 1 56 56 CYS H H 56 8.999 8.999 8.111 0.888 25848 2206 1 6 . 1 1 57 57 ALA N N 57 120.553 120.553 123.918 -3.365 25848 2207 1 6 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.219 -0.146 25848 2208 1 6 . 1 1 57 57 ALA C C 57 178.248 178.248 178.297 -0.049 25848 2209 1 6 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.017 0.747 25848 2210 1 6 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.753 -0.356 25848 2211 1 6 . 1 1 57 57 ALA H H 57 8.084 8.084 8.493 -0.409 25848 2212 1 6 . 1 1 58 58 GLY N N 58 110.247 110.247 111.603 -1.356 25848 2213 1 6 . 1 1 58 58 GLY C C 58 173.204 173.204 174.464 -1.260 25848 2214 1 6 . 1 1 58 58 GLY CA C 58 44.758 44.758 45.163 -0.405 25848 2215 1 6 . 1 1 58 58 GLY H H 58 8.713 8.713 8.682 0.031 25848 2216 1 6 . 1 1 59 59 LEU N N 59 120.155 120.155 121.716 -1.561 25848 2217 1 6 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.606 0.360 25848 2218 1 6 . 1 1 59 59 LEU C C 59 175.349 175.349 176.107 -0.758 25848 2219 1 6 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.635 -2.190 25848 2220 1 6 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.799 0.685 25848 2221 1 6 . 1 1 59 59 LEU H H 59 7.901 7.901 7.321 0.580 25848 2222 1 6 . 1 1 60 60 GLU N N 60 117.726 117.726 115.341 2.385 25848 2223 1 6 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.419 0.260 25848 2224 1 6 . 1 1 60 60 GLU C C 60 174.016 174.016 174.551 -0.535 25848 2225 1 6 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.000 0.595 25848 2226 1 6 . 1 1 60 60 GLU H H 60 9.145 9.145 8.050 1.095 25848 2227 1 6 . 1 1 61 61 CYS N N 61 122.299 122.299 123.034 -0.735 25848 2228 1 6 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.402 0.444 25848 2229 1 6 . 1 1 61 61 CYS C C 61 173.374 173.374 174.858 -1.484 25848 2230 1 6 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.364 14.110 25848 2231 1 6 . 1 1 61 61 CYS H H 61 9.064 9.064 9.038 0.026 25848 2232 1 6 . 1 1 62 62 TRP N N 62 135.668 135.668 130.608 5.060 25848 2233 1 6 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.618 0.280 25848 2234 1 6 . 1 1 62 62 TRP C C 62 174.430 174.430 174.813 -0.383 25848 2235 1 6 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.776 0.690 25848 2236 1 6 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.699 0.286 25848 2237 1 6 . 1 1 62 62 TRP H H 62 9.434 9.434 8.308 1.126 25848 2238 1 6 . 1 1 63 63 LYS N N 63 128.624 128.624 128.081 0.543 25848 2239 1 6 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.347 -0.000 25848 2240 1 6 . 1 1 63 63 LYS C C 63 175.409 175.409 175.580 -0.171 25848 2241 1 6 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.178 0.443 25848 2242 1 6 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.322 0.196 25848 2243 1 6 . 1 1 63 63 LYS H H 63 8.392 8.392 8.568 -0.176 25848 2244 1 6 . 1 1 64 64 ARG N N 64 125.507 125.507 124.103 1.404 25848 2245 1 6 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.315 -0.380 25848 2246 1 6 . 1 1 64 64 ARG C C 64 175.704 175.704 174.877 0.827 25848 2247 1 6 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.400 0.454 25848 2248 1 6 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.001 0.495 25848 2249 1 6 . 1 1 64 64 ARG H H 64 7.877 7.877 8.065 -0.188 25848 2250 1 6 . 1 1 65 65 SER N N 65 115.709 115.709 118.745 -3.036 25848 2251 1 6 . 1 1 65 65 SER HA H 65 4.306 4.306 4.698 -0.392 25848 2252 1 6 . 1 1 65 65 SER C C 65 175.289 175.289 174.977 0.312 25848 2253 1 6 . 1 1 65 65 SER CA C 65 58.778 58.778 57.745 1.033 25848 2254 1 6 . 1 1 65 65 SER CB C 65 63.667 63.667 64.464 -0.797 25848 2255 1 6 . 1 1 65 65 SER H H 65 8.198 8.198 8.402 -0.204 25848 2256 1 6 . 1 1 66 66 GLY N N 66 110.671 110.671 114.803 -4.132 25848 2257 1 6 . 1 1 66 66 GLY C C 66 174.634 174.634 174.645 -0.011 25848 2258 1 6 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.155 0.925 25848 2259 1 6 . 1 1 66 66 GLY H H 66 8.675 8.675 8.802 -0.127 25848 2260 1 6 . 1 1 67 67 ASN N N 67 118.608 118.608 118.040 0.568 25848 2261 1 6 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.849 -0.187 25848 2262 1 6 . 1 1 67 67 ASN C C 67 175.108 175.108 175.769 -0.661 25848 2263 1 6 . 1 1 67 67 ASN CA C 67 52.755 52.755 53.891 -1.136 25848 2264 1 6 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.689 -1.189 25848 2265 1 6 . 1 1 67 67 ASN H H 67 8.374 8.374 8.376 -0.002 25848 2266 1 6 . 1 1 68 68 LYS N N 68 119.218 119.218 119.027 0.191 25848 2267 1 6 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.456 -0.126 25848 2268 1 6 . 1 1 68 68 LYS C C 68 176.405 176.405 175.349 1.056 25848 2269 1 6 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.470 0.937 25848 2270 1 6 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.424 -0.517 25848 2271 1 6 . 1 1 68 68 LYS H H 68 7.816 7.816 7.647 0.169 25848 2272 1 6 . 1 1 69 69 SER N N 69 115.165 115.165 115.484 -0.319 25848 2273 1 6 . 1 1 69 69 SER HA H 69 4.615 4.615 4.331 0.284 25848 2274 1 6 . 1 1 69 69 SER C C 69 174.381 174.381 174.046 0.335 25848 2275 1 6 . 1 1 69 69 SER CA C 69 57.773 57.773 58.590 -0.817 25848 2276 1 6 . 1 1 69 69 SER CB C 69 64.533 64.533 63.742 0.791 25848 2277 1 6 . 1 1 69 69 SER H H 69 8.176 8.176 8.267 -0.091 25848 2278 1 6 . 1 1 70 70 SER N N 70 121.583 121.583 116.743 4.840 25848 2279 1 6 . 1 1 70 70 SER HA H 70 5.011 5.011 4.365 0.646 25848 2280 1 6 . 1 1 70 70 SER C C 70 175.256 175.256 174.336 0.920 25848 2281 1 6 . 1 1 70 70 SER CA C 70 58.455 58.455 58.505 -0.050 25848 2282 1 6 . 1 1 70 70 SER CB C 70 63.987 63.987 63.239 0.748 25848 2283 1 6 . 1 1 70 70 SER H H 70 9.539 9.539 8.306 1.233 25848 2284 1 6 . 1 1 71 71 VAL N N 71 115.977 115.977 119.244 -3.267 25848 2285 1 6 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.868 0.470 25848 2286 1 6 . 1 1 71 71 VAL C C 71 176.220 176.220 174.986 1.234 25848 2287 1 6 . 1 1 71 71 VAL CA C 71 58.655 58.655 58.658 -0.003 25848 2288 1 6 . 1 1 71 71 VAL CB C 71 37.422 37.422 33.904 3.518 25848 2289 1 6 . 1 1 71 71 VAL H H 71 8.502 8.502 7.855 0.647 25848 2290 1 6 . 1 1 72 72 CYS N N 72 120.794 120.794 118.529 2.265 25848 2291 1 6 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.500 -0.475 25848 2292 1 6 . 1 1 72 72 CYS C C 72 174.142 174.142 174.454 -0.312 25848 2293 1 6 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.702 -3.237 25848 2294 1 6 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.356 9.102 25848 2295 1 6 . 1 1 72 72 CYS H H 72 8.557 8.557 8.109 0.448 25848 2296 1 6 . 1 1 73 73 ALA N N 73 130.318 130.318 125.500 4.818 25848 2297 1 6 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.760 -0.300 25848 2298 1 6 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.491 0.106 25848 2299 1 6 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.353 1.181 25848 2300 1 6 . 1 1 73 73 ALA H H 73 9.629 9.629 8.790 0.839 25848 2301 1 6 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.499 0.001 25848 2302 1 6 . 1 1 74 74 PRO C C 74 176.504 176.504 176.559 -0.055 25848 2303 1 6 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.953 1.266 25848 2304 1 6 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.220 -0.317 25848 2305 1 6 . 1 1 75 75 ILE N N 75 122.019 122.019 114.019 8.000 25848 2306 1 6 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.001 -0.057 25848 2307 1 6 . 1 1 75 75 ILE C C 75 175.793 175.793 175.983 -0.190 25848 2308 1 6 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.712 0.634 25848 2309 1 6 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.796 1.173 25848 2310 1 6 . 1 1 75 75 ILE H H 75 7.769 7.769 7.963 -0.194 25848 2311 1 7 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.915 -0.204 25848 2312 1 7 . 1 1 2 2 ASN C C 2 174.785 174.785 173.693 1.092 25848 2313 1 7 . 1 1 2 2 ASN CB C 2 38.820 38.820 40.057 -1.237 25848 2314 1 7 . 1 1 3 3 GLU N N 3 121.744 121.744 121.503 0.241 25848 2315 1 7 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.816 -0.468 25848 2316 1 7 . 1 1 3 3 GLU C C 3 176.060 176.060 175.429 0.631 25848 2317 1 7 . 1 1 3 3 GLU CA C 3 56.267 56.267 55.869 0.398 25848 2318 1 7 . 1 1 3 3 GLU CB C 3 30.187 30.187 31.244 -1.057 25848 2319 1 7 . 1 1 3 3 GLU H H 3 8.470 8.470 8.819 -0.349 25848 2320 1 7 . 1 1 4 4 CYS N N 4 119.765 119.765 117.110 2.655 25848 2321 1 7 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.750 0.047 25848 2322 1 7 . 1 1 4 4 CYS C C 4 173.263 173.263 174.757 -1.494 25848 2323 1 7 . 1 1 4 4 CYS CB C 4 42.301 42.301 30.080 12.221 25848 2324 1 7 . 1 1 4 4 CYS H H 4 8.317 8.317 8.563 -0.246 25848 2325 1 7 . 1 1 5 5 ILE N N 5 122.940 122.940 122.648 0.292 25848 2326 1 7 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.077 -0.189 25848 2327 1 7 . 1 1 5 5 ILE C C 5 173.890 173.890 175.836 -1.946 25848 2328 1 7 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.911 0.605 25848 2329 1 7 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.581 0.699 25848 2330 1 7 . 1 1 5 5 ILE H H 5 8.912 8.912 8.205 0.707 25848 2331 1 7 . 1 1 6 6 ARG N N 6 125.981 125.981 126.537 -0.556 25848 2332 1 7 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.126 -0.264 25848 2333 1 7 . 1 1 6 6 ARG C C 6 174.259 174.259 176.159 -1.900 25848 2334 1 7 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.699 -0.681 25848 2335 1 7 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.703 1.075 25848 2336 1 7 . 1 1 6 6 ARG H H 6 7.528 7.528 8.427 -0.899 25848 2337 1 7 . 1 1 7 7 LYS N N 7 116.267 116.267 120.348 -4.081 25848 2338 1 7 . 1 1 7 7 LYS HA H 7 3.286 3.286 4.091 -0.805 25848 2339 1 7 . 1 1 7 7 LYS C C 7 175.417 175.417 176.472 -1.055 25848 2340 1 7 . 1 1 7 7 LYS CA C 7 58.323 58.323 56.646 1.677 25848 2341 1 7 . 1 1 7 7 LYS CB C 7 32.671 32.671 33.106 -0.435 25848 2342 1 7 . 1 1 7 7 LYS H H 7 7.558 7.558 8.331 -0.773 25848 2343 1 7 . 1 1 8 8 TRP N N 8 115.300 115.300 122.361 -7.061 25848 2344 1 7 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.431 -0.171 25848 2345 1 7 . 1 1 8 8 TRP C C 8 175.069 175.069 175.617 -0.548 25848 2346 1 7 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.226 -0.218 25848 2347 1 7 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.809 0.878 25848 2348 1 7 . 1 1 8 8 TRP H H 8 9.357 9.357 8.214 1.143 25848 2349 1 7 . 1 1 9 9 LEU N N 9 120.240 120.240 120.628 -0.388 25848 2350 1 7 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.646 0.051 25848 2351 1 7 . 1 1 9 9 LEU C C 9 176.636 176.636 175.943 0.693 25848 2352 1 7 . 1 1 9 9 LEU CB C 9 42.248 42.248 43.870 -1.622 25848 2353 1 7 . 1 1 9 9 LEU H H 9 7.701 7.701 8.143 -0.442 25848 2354 1 7 . 1 1 10 10 SER N N 10 110.077 110.077 110.206 -0.129 25848 2355 1 7 . 1 1 10 10 SER HA H 10 4.704 4.704 4.788 -0.084 25848 2356 1 7 . 1 1 10 10 SER CB C 10 64.064 64.064 63.965 0.099 25848 2357 1 7 . 1 1 10 10 SER H H 10 8.148 8.148 7.992 0.156 25848 2358 1 7 . 1 1 11 11 CYS N N 11 121.141 121.141 121.112 0.029 25848 2359 1 7 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.877 -0.007 25848 2360 1 7 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.915 16.116 25848 2361 1 7 . 1 1 11 11 CYS H H 11 8.580 8.580 8.665 -0.085 25848 2362 1 7 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.735 -0.170 25848 2363 1 7 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.280 -0.083 25848 2364 1 7 . 1 1 12 12 VAL H H 12 7.776 7.776 8.182 -0.406 25848 2365 1 7 . 1 1 15 15 LYS N N 15 117.195 117.195 121.606 -4.411 25848 2366 1 7 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.155 0.204 25848 2367 1 7 . 1 1 15 15 LYS C C 15 177.505 177.505 176.691 0.814 25848 2368 1 7 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.090 1.352 25848 2369 1 7 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.624 -0.053 25848 2370 1 7 . 1 1 15 15 LYS H H 15 7.936 7.936 8.592 -0.656 25848 2371 1 7 . 1 1 16 16 ASN N N 16 115.005 115.005 115.965 -0.960 25848 2372 1 7 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.656 0.419 25848 2373 1 7 . 1 1 16 16 ASN C C 16 176.707 176.707 174.976 1.731 25848 2374 1 7 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.160 -1.150 25848 2375 1 7 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.609 0.560 25848 2376 1 7 . 1 1 16 16 ASN H H 16 8.644 8.644 8.343 0.301 25848 2377 1 7 . 1 1 17 17 ASP N N 17 118.040 118.040 120.153 -2.113 25848 2378 1 7 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.757 0.106 25848 2379 1 7 . 1 1 17 17 ASP C C 17 176.756 176.756 176.696 0.060 25848 2380 1 7 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.503 0.507 25848 2381 1 7 . 1 1 17 17 ASP H H 17 7.592 7.592 8.451 -0.859 25848 2382 1 7 . 1 1 18 18 CYS N N 18 119.499 119.499 116.708 2.791 25848 2383 1 7 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.184 0.716 25848 2384 1 7 . 1 1 18 18 CYS C C 18 176.186 176.186 174.869 1.317 25848 2385 1 7 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.470 11.417 25848 2386 1 7 . 1 1 18 18 CYS H H 18 8.729 8.729 8.338 0.391 25848 2387 1 7 . 1 1 19 19 CYS N N 19 120.655 120.655 112.483 8.172 25848 2388 1 7 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.375 0.040 25848 2389 1 7 . 1 1 19 19 CYS C C 19 171.719 171.719 172.747 -1.028 25848 2390 1 7 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.134 -3.565 25848 2391 1 7 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.955 10.962 25848 2392 1 7 . 1 1 19 19 CYS H H 19 9.086 9.086 8.047 1.039 25848 2393 1 7 . 1 1 20 20 GLU N N 20 118.445 118.445 122.897 -4.452 25848 2394 1 7 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.321 -0.390 25848 2395 1 7 . 1 1 20 20 GLU C C 20 176.509 176.509 176.882 -0.373 25848 2396 1 7 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.749 1.071 25848 2397 1 7 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.845 0.059 25848 2398 1 7 . 1 1 20 20 GLU H H 20 8.155 8.155 8.842 -0.687 25848 2399 1 7 . 1 1 21 21 GLY N N 21 113.662 113.662 113.284 0.378 25848 2400 1 7 . 1 1 21 21 GLY C C 21 172.614 172.614 172.770 -0.156 25848 2401 1 7 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.272 -0.741 25848 2402 1 7 . 1 1 21 21 GLY H H 21 8.719 8.719 8.514 0.205 25848 2403 1 7 . 1 1 22 22 LEU N N 22 120.372 120.372 118.561 1.811 25848 2404 1 7 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.274 -0.193 25848 2405 1 7 . 1 1 22 22 LEU C C 22 174.927 174.927 175.912 -0.985 25848 2406 1 7 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.042 -0.592 25848 2407 1 7 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.989 -1.478 25848 2408 1 7 . 1 1 22 22 LEU H H 22 7.641 7.641 7.149 0.492 25848 2409 1 7 . 1 1 23 23 GLU N N 23 117.193 117.193 117.963 -0.770 25848 2410 1 7 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.621 0.087 25848 2411 1 7 . 1 1 23 23 GLU C C 23 173.821 173.821 174.500 -0.679 25848 2412 1 7 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.770 -1.438 25848 2413 1 7 . 1 1 23 23 GLU CB C 23 32.486 32.486 34.743 -2.257 25848 2414 1 7 . 1 1 23 23 GLU H H 23 9.299 9.299 8.557 0.742 25848 2415 1 7 . 1 1 24 24 CYS N N 24 123.260 123.260 123.444 -0.184 25848 2416 1 7 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.528 0.273 25848 2417 1 7 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.274 14.021 25848 2418 1 7 . 1 1 24 24 CYS H H 24 8.953 8.953 8.935 0.018 25848 2419 1 7 . 1 1 25 25 TYR N N 25 134.523 134.523 128.998 5.525 25848 2420 1 7 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.651 0.162 25848 2421 1 7 . 1 1 25 25 TYR C C 25 173.768 173.768 174.655 -0.887 25848 2422 1 7 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.508 1.838 25848 2423 1 7 . 1 1 25 25 TYR H H 25 9.338 9.338 8.279 1.059 25848 2424 1 7 . 1 1 26 26 LYS N N 26 127.496 127.496 124.765 2.731 25848 2425 1 7 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.174 -0.078 25848 2426 1 7 . 1 1 26 26 LYS C C 26 174.360 174.360 175.707 -1.347 25848 2427 1 7 . 1 1 26 26 LYS CA C 26 55.938 55.938 55.931 0.007 25848 2428 1 7 . 1 1 26 26 LYS CB C 26 32.667 32.667 32.244 0.423 25848 2429 1 7 . 1 1 26 26 LYS H H 26 8.176 8.176 7.347 0.829 25848 2430 1 7 . 1 1 27 27 ARG N N 27 125.899 125.899 125.673 0.226 25848 2431 1 7 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.544 -0.319 25848 2432 1 7 . 1 1 27 27 ARG C C 27 174.385 174.385 175.067 -0.682 25848 2433 1 7 . 1 1 27 27 ARG CA C 27 55.989 55.989 55.378 0.611 25848 2434 1 7 . 1 1 27 27 ARG CB C 27 32.009 32.009 32.080 -0.070 25848 2435 1 7 . 1 1 27 27 ARG H H 27 7.493 7.493 8.362 -0.869 25848 2436 1 7 . 1 1 28 28 ARG N N 28 121.214 121.214 124.595 -3.381 25848 2437 1 7 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.248 -0.336 25848 2438 1 7 . 1 1 28 28 ARG C C 28 176.613 176.613 177.017 -0.404 25848 2439 1 7 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.719 -0.105 25848 2440 1 7 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.427 -0.752 25848 2441 1 7 . 1 1 28 28 ARG H H 28 8.519 8.519 8.569 -0.050 25848 2442 1 7 . 1 1 29 29 HIS N N 29 116.413 116.413 117.351 -0.938 25848 2443 1 7 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.454 0.026 25848 2444 1 7 . 1 1 29 29 HIS C C 29 174.166 174.166 174.980 -0.814 25848 2445 1 7 . 1 1 29 29 HIS CA C 29 56.020 56.020 57.453 -1.433 25848 2446 1 7 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.067 -1.933 25848 2447 1 7 . 1 1 29 29 HIS H H 29 8.771 8.771 8.114 0.657 25848 2448 1 7 . 1 1 30 30 SER N N 30 113.403 113.403 113.292 0.111 25848 2449 1 7 . 1 1 30 30 SER HA H 30 4.469 4.469 4.631 -0.162 25848 2450 1 7 . 1 1 30 30 SER C C 30 173.332 173.332 172.938 0.394 25848 2451 1 7 . 1 1 30 30 SER CA C 30 57.257 57.257 56.565 0.692 25848 2452 1 7 . 1 1 30 30 SER CB C 30 63.559 63.559 64.384 -0.825 25848 2453 1 7 . 1 1 30 30 SER H H 30 7.826 7.826 7.579 0.247 25848 2454 1 7 . 1 1 31 31 PHE N N 31 118.662 118.662 121.559 -2.897 25848 2455 1 7 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.470 0.323 25848 2456 1 7 . 1 1 31 31 PHE CB C 31 40.312 40.312 38.945 1.367 25848 2457 1 7 . 1 1 31 31 PHE H H 31 7.801 7.801 8.630 -0.829 25848 2458 1 7 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.303 0.307 25848 2459 1 7 . 1 1 32 32 GLU CB C 32 30.289 30.289 30.172 0.117 25848 2460 1 7 . 1 1 33 33 VAL N N 33 121.027 121.027 114.413 6.614 25848 2461 1 7 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.682 0.419 25848 2462 1 7 . 1 1 33 33 VAL C C 33 175.754 175.754 175.014 0.740 25848 2463 1 7 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.547 -1.002 25848 2464 1 7 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.378 2.086 25848 2465 1 7 . 1 1 33 33 VAL H H 33 8.581 8.581 8.056 0.525 25848 2466 1 7 . 1 1 34 34 CYS N N 34 119.365 119.365 118.999 0.366 25848 2467 1 7 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.658 0.406 25848 2468 1 7 . 1 1 34 34 CYS C C 34 174.853 174.853 174.681 0.172 25848 2469 1 7 . 1 1 34 34 CYS CA C 34 54.695 54.695 60.203 -5.508 25848 2470 1 7 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.615 14.359 25848 2471 1 7 . 1 1 34 34 CYS H H 34 7.968 7.968 8.717 -0.749 25848 2472 1 7 . 1 1 35 35 VAL N N 35 122.141 122.141 115.889 6.252 25848 2473 1 7 . 1 1 35 35 VAL HA H 35 4.468 4.468 3.942 0.526 25848 2474 1 7 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.599 0.431 25848 2475 1 7 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.602 -0.386 25848 2476 1 7 . 1 1 35 35 VAL H H 35 9.611 9.611 8.603 1.008 25848 2477 1 7 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.612 -0.214 25848 2478 1 7 . 1 1 36 36 PRO C C 36 176.509 176.509 176.654 -0.145 25848 2479 1 7 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.465 0.855 25848 2480 1 7 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.874 0.238 25848 2481 1 7 . 1 1 37 37 ILE N N 37 125.294 125.294 126.229 -0.935 25848 2482 1 7 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.348 -0.217 25848 2483 1 7 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.093 0.697 25848 2484 1 7 . 1 1 37 37 ILE CB C 37 39.566 39.566 37.781 1.785 25848 2485 1 7 . 1 1 37 37 ILE H H 37 7.927 7.927 7.951 -0.024 25848 2486 1 7 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.545 -0.208 25848 2487 1 7 . 1 1 38 38 PRO C C 38 177.800 177.800 177.540 0.260 25848 2488 1 7 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.613 0.481 25848 2489 1 7 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.892 -0.161 25848 2490 1 7 . 1 1 39 39 GLY N N 39 112.745 112.745 112.669 0.076 25848 2491 1 7 . 1 1 39 39 GLY C C 39 174.463 174.463 174.833 -0.370 25848 2492 1 7 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.133 0.330 25848 2493 1 7 . 1 1 39 39 GLY H H 39 8.843 8.843 8.500 0.343 25848 2494 1 7 . 1 1 40 40 PHE N N 40 120.803 120.803 120.155 0.648 25848 2495 1 7 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.474 -0.153 25848 2496 1 7 . 1 1 40 40 PHE C C 40 174.706 174.706 175.076 -0.370 25848 2497 1 7 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.225 0.443 25848 2498 1 7 . 1 1 40 40 PHE CB C 40 39.815 39.815 39.880 -0.066 25848 2499 1 7 . 1 1 40 40 PHE H H 40 7.762 7.762 7.582 0.180 25848 2500 1 7 . 1 1 41 41 CYS N N 41 120.807 120.807 122.047 -1.240 25848 2501 1 7 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.390 0.184 25848 2502 1 7 . 1 1 41 41 CYS C C 41 171.732 171.732 171.751 -0.019 25848 2503 1 7 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.347 -1.681 25848 2504 1 7 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.499 13.610 25848 2505 1 7 . 1 1 41 41 CYS H H 41 7.040 7.040 7.406 -0.366 25848 2506 1 7 . 1 1 42 42 LEU N N 42 119.987 119.987 119.842 0.145 25848 2507 1 7 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.900 -0.628 25848 2508 1 7 . 1 1 42 42 LEU C C 42 173.872 173.872 176.405 -2.533 25848 2509 1 7 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.274 0.729 25848 2510 1 7 . 1 1 42 42 LEU CB C 42 43.826 43.826 45.135 -1.309 25848 2511 1 7 . 1 1 42 42 LEU H H 42 8.728 8.728 8.236 0.492 25848 2512 1 7 . 1 1 43 43 VAL N N 43 115.632 115.632 115.864 -0.232 25848 2513 1 7 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.429 -0.621 25848 2514 1 7 . 1 1 43 43 VAL C C 43 173.751 173.751 175.943 -2.192 25848 2515 1 7 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.411 -0.153 25848 2516 1 7 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.177 -1.320 25848 2517 1 7 . 1 1 43 43 VAL H H 43 7.192 7.192 8.109 -0.917 25848 2518 1 7 . 1 1 44 44 LYS N N 44 117.023 117.023 115.836 1.187 25848 2519 1 7 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.083 -0.853 25848 2520 1 7 . 1 1 44 44 LYS C C 44 176.385 176.385 175.066 1.319 25848 2521 1 7 . 1 1 44 44 LYS CA C 44 58.773 58.773 57.598 1.175 25848 2522 1 7 . 1 1 44 44 LYS CB C 44 32.031 32.031 32.022 0.009 25848 2523 1 7 . 1 1 44 44 LYS H H 44 7.531 7.531 8.613 -1.082 25848 2524 1 7 . 1 1 45 45 TRP N N 45 117.377 117.377 117.879 -0.502 25848 2525 1 7 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.840 -0.393 25848 2526 1 7 . 1 1 45 45 TRP C C 45 175.675 175.675 175.615 0.060 25848 2527 1 7 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.219 1.802 25848 2528 1 7 . 1 1 45 45 TRP CB C 45 27.995 27.995 29.961 -1.966 25848 2529 1 7 . 1 1 45 45 TRP H H 45 9.364 9.364 7.707 1.657 25848 2530 1 7 . 1 1 46 46 LYS N N 46 119.913 119.913 118.822 1.091 25848 2531 1 7 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.814 -0.424 25848 2532 1 7 . 1 1 46 46 LYS C C 46 176.776 176.776 174.731 2.045 25848 2533 1 7 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.199 0.962 25848 2534 1 7 . 1 1 46 46 LYS CB C 46 33.666 33.666 36.053 -2.387 25848 2535 1 7 . 1 1 46 46 LYS H H 46 7.985 7.985 7.514 0.471 25848 2536 1 7 . 1 1 47 47 GLN N N 47 121.031 121.031 119.867 1.164 25848 2537 1 7 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.516 0.363 25848 2538 1 7 . 1 1 47 47 GLN C C 47 177.118 177.118 177.089 0.029 25848 2539 1 7 . 1 1 47 47 GLN CB C 47 28.555 28.555 29.145 -0.590 25848 2540 1 7 . 1 1 47 47 GLN H H 47 8.623 8.623 8.766 -0.143 25848 2541 1 7 . 1 1 48 48 CYS N N 48 115.456 115.456 121.670 -6.214 25848 2542 1 7 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.645 0.111 25848 2543 1 7 . 1 1 48 48 CYS C C 48 173.978 173.978 175.715 -1.737 25848 2544 1 7 . 1 1 48 48 CYS CB C 48 43.989 43.989 28.526 15.463 25848 2545 1 7 . 1 1 48 48 CYS H H 48 8.365 8.365 8.810 -0.445 25848 2546 1 7 . 1 1 49 49 ASP N N 49 123.208 123.208 123.717 -0.509 25848 2547 1 7 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.442 0.006 25848 2548 1 7 . 1 1 49 49 ASP C C 49 177.773 177.773 177.153 0.620 25848 2549 1 7 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.347 0.640 25848 2550 1 7 . 1 1 49 49 ASP CB C 49 41.080 41.080 41.135 -0.055 25848 2551 1 7 . 1 1 49 49 ASP H H 49 7.839 7.839 7.596 0.243 25848 2552 1 7 . 1 1 50 50 GLY N N 50 115.583 115.583 115.086 0.497 25848 2553 1 7 . 1 1 50 50 GLY C C 50 173.522 173.522 175.054 -1.532 25848 2554 1 7 . 1 1 50 50 GLY CA C 50 46.284 46.284 46.049 0.235 25848 2555 1 7 . 1 1 50 50 GLY H H 50 9.371 9.371 9.066 0.305 25848 2556 1 7 . 1 1 51 51 ARG N N 51 122.794 122.794 122.001 0.793 25848 2557 1 7 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.622 0.036 25848 2558 1 7 . 1 1 51 51 ARG C C 51 176.977 176.977 176.831 0.146 25848 2559 1 7 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.597 0.155 25848 2560 1 7 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.889 1.194 25848 2561 1 7 . 1 1 51 51 ARG H H 51 8.199 8.199 7.942 0.257 25848 2562 1 7 . 1 1 52 52 GLU N N 52 117.957 117.957 118.788 -0.831 25848 2563 1 7 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.080 -0.006 25848 2564 1 7 . 1 1 52 52 GLU C C 52 178.254 178.254 176.431 1.823 25848 2565 1 7 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.714 2.516 25848 2566 1 7 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.148 -0.340 25848 2567 1 7 . 1 1 52 52 GLU H H 52 8.992 8.992 8.691 0.301 25848 2568 1 7 . 1 1 53 53 ARG N N 53 116.423 116.423 116.771 -0.348 25848 2569 1 7 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.557 0.007 25848 2570 1 7 . 1 1 53 53 ARG C C 53 177.327 177.327 175.294 2.033 25848 2571 1 7 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.934 -0.454 25848 2572 1 7 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.229 -0.964 25848 2573 1 7 . 1 1 53 53 ARG H H 53 8.513 8.513 7.927 0.586 25848 2574 1 7 . 1 1 54 54 ASP N N 54 118.043 118.043 120.203 -2.160 25848 2575 1 7 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.807 0.008 25848 2576 1 7 . 1 1 54 54 ASP C C 54 176.941 176.941 175.368 1.573 25848 2577 1 7 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.785 -3.038 25848 2578 1 7 . 1 1 54 54 ASP H H 54 7.933 7.933 8.101 -0.168 25848 2579 1 7 . 1 1 55 55 CYS N N 55 118.999 118.999 118.578 0.421 25848 2580 1 7 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.177 0.800 25848 2581 1 7 . 1 1 55 55 CYS C C 55 175.757 175.757 176.102 -0.345 25848 2582 1 7 . 1 1 55 55 CYS CA C 55 55.989 55.989 59.771 -3.782 25848 2583 1 7 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.488 10.946 25848 2584 1 7 . 1 1 55 55 CYS H H 55 8.222 8.222 7.559 0.663 25848 2585 1 7 . 1 1 56 56 CYS N N 56 121.139 121.139 119.917 1.222 25848 2586 1 7 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.316 0.018 25848 2587 1 7 . 1 1 56 56 CYS C C 56 171.957 171.957 175.571 -3.614 25848 2588 1 7 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.892 -5.401 25848 2589 1 7 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.333 12.680 25848 2590 1 7 . 1 1 56 56 CYS H H 56 8.999 8.999 8.085 0.914 25848 2591 1 7 . 1 1 57 57 ALA N N 57 120.553 120.553 124.622 -4.069 25848 2592 1 7 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.133 -0.060 25848 2593 1 7 . 1 1 57 57 ALA C C 57 178.248 178.248 178.258 -0.010 25848 2594 1 7 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.190 0.574 25848 2595 1 7 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.381 0.016 25848 2596 1 7 . 1 1 57 57 ALA H H 57 8.084 8.084 8.550 -0.466 25848 2597 1 7 . 1 1 58 58 GLY N N 58 110.247 110.247 111.616 -1.369 25848 2598 1 7 . 1 1 58 58 GLY C C 58 173.204 173.204 173.822 -0.618 25848 2599 1 7 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.757 0.001 25848 2600 1 7 . 1 1 58 58 GLY H H 58 8.713 8.713 8.591 0.122 25848 2601 1 7 . 1 1 59 59 LEU N N 59 120.155 120.155 121.449 -1.294 25848 2602 1 7 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.579 0.387 25848 2603 1 7 . 1 1 59 59 LEU C C 59 175.349 175.349 176.032 -0.683 25848 2604 1 7 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.712 -2.267 25848 2605 1 7 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.477 1.007 25848 2606 1 7 . 1 1 59 59 LEU H H 59 7.901 7.901 7.342 0.559 25848 2607 1 7 . 1 1 60 60 GLU N N 60 117.726 117.726 114.367 3.359 25848 2608 1 7 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.496 0.183 25848 2609 1 7 . 1 1 60 60 GLU C C 60 174.016 174.016 174.610 -0.594 25848 2610 1 7 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.128 0.467 25848 2611 1 7 . 1 1 60 60 GLU H H 60 9.145 9.145 8.101 1.044 25848 2612 1 7 . 1 1 61 61 CYS N N 61 122.299 122.299 122.201 0.098 25848 2613 1 7 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.457 0.389 25848 2614 1 7 . 1 1 61 61 CYS C C 61 173.374 173.374 174.807 -1.433 25848 2615 1 7 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.468 14.006 25848 2616 1 7 . 1 1 61 61 CYS H H 61 9.064 9.064 8.965 0.099 25848 2617 1 7 . 1 1 62 62 TRP N N 62 135.668 135.668 130.992 4.676 25848 2618 1 7 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.605 0.293 25848 2619 1 7 . 1 1 62 62 TRP C C 62 174.430 174.430 174.723 -0.293 25848 2620 1 7 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.898 0.568 25848 2621 1 7 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.888 0.097 25848 2622 1 7 . 1 1 62 62 TRP H H 62 9.434 9.434 8.582 0.852 25848 2623 1 7 . 1 1 63 63 LYS N N 63 128.624 128.624 128.117 0.507 25848 2624 1 7 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.387 -0.040 25848 2625 1 7 . 1 1 63 63 LYS C C 63 175.409 175.409 175.717 -0.308 25848 2626 1 7 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.255 0.366 25848 2627 1 7 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.575 -0.057 25848 2628 1 7 . 1 1 63 63 LYS H H 63 8.392 8.392 8.660 -0.268 25848 2629 1 7 . 1 1 64 64 ARG N N 64 125.507 125.507 124.929 0.578 25848 2630 1 7 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.346 -0.411 25848 2631 1 7 . 1 1 64 64 ARG C C 64 175.704 175.704 174.974 0.730 25848 2632 1 7 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.445 0.409 25848 2633 1 7 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.281 0.215 25848 2634 1 7 . 1 1 64 64 ARG H H 64 7.877 7.877 8.038 -0.161 25848 2635 1 7 . 1 1 65 65 SER N N 65 115.709 115.709 117.382 -1.673 25848 2636 1 7 . 1 1 65 65 SER HA H 65 4.306 4.306 4.728 -0.422 25848 2637 1 7 . 1 1 65 65 SER C C 65 175.289 175.289 174.956 0.333 25848 2638 1 7 . 1 1 65 65 SER CA C 65 58.778 58.778 57.843 0.935 25848 2639 1 7 . 1 1 65 65 SER CB C 65 63.667 63.667 64.545 -0.878 25848 2640 1 7 . 1 1 65 65 SER H H 65 8.198 8.198 8.343 -0.145 25848 2641 1 7 . 1 1 66 66 GLY N N 66 110.671 110.671 113.698 -3.027 25848 2642 1 7 . 1 1 66 66 GLY C C 66 174.634 174.634 174.887 -0.253 25848 2643 1 7 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.106 0.974 25848 2644 1 7 . 1 1 66 66 GLY H H 66 8.675 8.675 8.630 0.045 25848 2645 1 7 . 1 1 67 67 ASN N N 67 118.608 118.608 117.987 0.621 25848 2646 1 7 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.825 -0.163 25848 2647 1 7 . 1 1 67 67 ASN C C 67 175.108 175.108 175.566 -0.458 25848 2648 1 7 . 1 1 67 67 ASN CA C 67 52.755 52.755 53.523 -0.768 25848 2649 1 7 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.697 -1.197 25848 2650 1 7 . 1 1 67 67 ASN H H 67 8.374 8.374 8.507 -0.133 25848 2651 1 7 . 1 1 68 68 LYS N N 68 119.218 119.218 119.463 -0.245 25848 2652 1 7 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.439 -0.109 25848 2653 1 7 . 1 1 68 68 LYS C C 68 176.405 176.405 175.350 1.055 25848 2654 1 7 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.406 1.001 25848 2655 1 7 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.671 -0.764 25848 2656 1 7 . 1 1 68 68 LYS H H 68 7.816 7.816 7.765 0.051 25848 2657 1 7 . 1 1 69 69 SER N N 69 115.165 115.165 116.016 -0.851 25848 2658 1 7 . 1 1 69 69 SER HA H 69 4.615 4.615 4.354 0.261 25848 2659 1 7 . 1 1 69 69 SER C C 69 174.381 174.381 174.096 0.285 25848 2660 1 7 . 1 1 69 69 SER CA C 69 57.773 57.773 58.423 -0.650 25848 2661 1 7 . 1 1 69 69 SER CB C 69 64.533 64.533 63.680 0.853 25848 2662 1 7 . 1 1 69 69 SER H H 69 8.176 8.176 8.307 -0.131 25848 2663 1 7 . 1 1 70 70 SER N N 70 121.583 121.583 116.768 4.815 25848 2664 1 7 . 1 1 70 70 SER HA H 70 5.011 5.011 4.387 0.624 25848 2665 1 7 . 1 1 70 70 SER C C 70 175.256 175.256 174.304 0.952 25848 2666 1 7 . 1 1 70 70 SER CA C 70 58.455 58.455 58.899 -0.444 25848 2667 1 7 . 1 1 70 70 SER CB C 70 63.987 63.987 63.183 0.804 25848 2668 1 7 . 1 1 70 70 SER H H 70 9.539 9.539 8.247 1.292 25848 2669 1 7 . 1 1 71 71 VAL N N 71 115.977 115.977 119.718 -3.741 25848 2670 1 7 . 1 1 71 71 VAL HA H 71 5.338 5.338 5.092 0.246 25848 2671 1 7 . 1 1 71 71 VAL C C 71 176.220 176.220 175.175 1.045 25848 2672 1 7 . 1 1 71 71 VAL CA C 71 58.655 58.655 59.565 -0.909 25848 2673 1 7 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.637 2.785 25848 2674 1 7 . 1 1 71 71 VAL H H 71 8.502 8.502 7.782 0.720 25848 2675 1 7 . 1 1 72 72 CYS N N 72 120.794 120.794 118.829 1.965 25848 2676 1 7 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.515 -0.490 25848 2677 1 7 . 1 1 72 72 CYS C C 72 174.142 174.142 174.656 -0.514 25848 2678 1 7 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.879 -3.413 25848 2679 1 7 . 1 1 72 72 CYS CB C 72 38.458 38.458 28.935 9.523 25848 2680 1 7 . 1 1 72 72 CYS H H 72 8.557 8.557 8.201 0.356 25848 2681 1 7 . 1 1 73 73 ALA N N 73 130.318 130.318 125.773 4.545 25848 2682 1 7 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.801 -0.341 25848 2683 1 7 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.528 0.069 25848 2684 1 7 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.365 1.169 25848 2685 1 7 . 1 1 73 73 ALA H H 73 9.629 9.629 8.763 0.866 25848 2686 1 7 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.510 -0.010 25848 2687 1 7 . 1 1 74 74 PRO C C 74 176.504 176.504 176.705 -0.201 25848 2688 1 7 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.939 1.280 25848 2689 1 7 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.351 -0.448 25848 2690 1 7 . 1 1 75 75 ILE N N 75 122.019 122.019 115.438 6.581 25848 2691 1 7 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.079 -0.135 25848 2692 1 7 . 1 1 75 75 ILE C C 75 175.793 175.793 175.916 -0.123 25848 2693 1 7 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.885 0.461 25848 2694 1 7 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.740 1.229 25848 2695 1 7 . 1 1 75 75 ILE H H 75 7.769 7.769 8.135 -0.366 25848 2696 1 8 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.809 -0.098 25848 2697 1 8 . 1 1 2 2 ASN C C 2 174.785 174.785 174.878 -0.093 25848 2698 1 8 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.016 -0.195 25848 2699 1 8 . 1 1 3 3 GLU N N 3 121.744 121.744 120.163 1.581 25848 2700 1 8 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.215 0.133 25848 2701 1 8 . 1 1 3 3 GLU C C 3 176.060 176.060 176.001 0.059 25848 2702 1 8 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.846 -0.579 25848 2703 1 8 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.289 -0.102 25848 2704 1 8 . 1 1 3 3 GLU H H 3 8.470 8.470 8.502 -0.032 25848 2705 1 8 . 1 1 4 4 CYS N N 4 119.765 119.765 115.639 4.126 25848 2706 1 8 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.779 0.018 25848 2707 1 8 . 1 1 4 4 CYS C C 4 173.263 173.263 174.334 -1.071 25848 2708 1 8 . 1 1 4 4 CYS CB C 4 42.301 42.301 30.511 11.790 25848 2709 1 8 . 1 1 4 4 CYS H H 4 8.317 8.317 8.546 -0.229 25848 2710 1 8 . 1 1 5 5 ILE N N 5 122.940 122.940 122.311 0.629 25848 2711 1 8 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.006 -0.118 25848 2712 1 8 . 1 1 5 5 ILE C C 5 173.890 173.890 175.774 -1.884 25848 2713 1 8 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.840 0.675 25848 2714 1 8 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.094 1.186 25848 2715 1 8 . 1 1 5 5 ILE H H 5 8.912 8.912 8.043 0.869 25848 2716 1 8 . 1 1 6 6 ARG N N 6 125.981 125.981 127.808 -1.827 25848 2717 1 8 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.114 -0.252 25848 2718 1 8 . 1 1 6 6 ARG C C 6 174.259 174.259 176.053 -1.794 25848 2719 1 8 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.517 -0.499 25848 2720 1 8 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.538 1.239 25848 2721 1 8 . 1 1 6 6 ARG H H 6 7.528 7.528 8.451 -0.923 25848 2722 1 8 . 1 1 7 7 LYS N N 7 116.267 116.267 121.870 -5.603 25848 2723 1 8 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.931 -0.645 25848 2724 1 8 . 1 1 7 7 LYS C C 7 175.417 175.417 176.792 -1.375 25848 2725 1 8 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.254 1.069 25848 2726 1 8 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.831 -0.160 25848 2727 1 8 . 1 1 7 7 LYS H H 7 7.558 7.558 8.358 -0.800 25848 2728 1 8 . 1 1 8 8 TRP N N 8 115.300 115.300 122.117 -6.817 25848 2729 1 8 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.306 -0.046 25848 2730 1 8 . 1 1 8 8 TRP C C 8 175.069 175.069 175.584 -0.515 25848 2731 1 8 . 1 1 8 8 TRP CA C 8 58.008 58.008 57.958 0.050 25848 2732 1 8 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.997 0.690 25848 2733 1 8 . 1 1 8 8 TRP H H 8 9.357 9.357 8.086 1.271 25848 2734 1 8 . 1 1 9 9 LEU N N 9 120.240 120.240 119.574 0.666 25848 2735 1 8 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.674 0.023 25848 2736 1 8 . 1 1 9 9 LEU C C 9 176.636 176.636 176.007 0.629 25848 2737 1 8 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.376 -2.127 25848 2738 1 8 . 1 1 9 9 LEU H H 9 7.701 7.701 7.929 -0.228 25848 2739 1 8 . 1 1 10 10 SER N N 10 110.077 110.077 111.864 -1.787 25848 2740 1 8 . 1 1 10 10 SER HA H 10 4.704 4.704 4.951 -0.247 25848 2741 1 8 . 1 1 10 10 SER CB C 10 64.064 64.064 64.132 -0.067 25848 2742 1 8 . 1 1 10 10 SER H H 10 8.148 8.148 8.223 -0.075 25848 2743 1 8 . 1 1 11 11 CYS N N 11 121.141 121.141 125.675 -4.534 25848 2744 1 8 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.687 0.183 25848 2745 1 8 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.442 16.589 25848 2746 1 8 . 1 1 11 11 CYS H H 11 8.580 8.580 9.252 -0.672 25848 2747 1 8 . 1 1 12 12 VAL HA H 12 3.565 3.565 4.061 -0.496 25848 2748 1 8 . 1 1 12 12 VAL CA C 12 65.197 65.197 64.853 0.343 25848 2749 1 8 . 1 1 12 12 VAL H H 12 7.776 7.776 7.598 0.178 25848 2750 1 8 . 1 1 15 15 LYS N N 15 117.195 117.195 123.457 -6.262 25848 2751 1 8 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.124 0.235 25848 2752 1 8 . 1 1 15 15 LYS C C 15 177.505 177.505 177.582 -0.077 25848 2753 1 8 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.173 1.269 25848 2754 1 8 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.344 0.226 25848 2755 1 8 . 1 1 15 15 LYS H H 15 7.936 7.936 8.509 -0.573 25848 2756 1 8 . 1 1 16 16 ASN N N 16 115.005 115.005 117.551 -2.546 25848 2757 1 8 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.519 0.556 25848 2758 1 8 . 1 1 16 16 ASN C C 16 176.707 176.707 174.751 1.956 25848 2759 1 8 . 1 1 16 16 ASN CA C 16 53.010 53.010 55.154 -2.144 25848 2760 1 8 . 1 1 16 16 ASN CB C 16 39.169 39.169 37.904 1.265 25848 2761 1 8 . 1 1 16 16 ASN H H 16 8.644 8.644 8.581 0.063 25848 2762 1 8 . 1 1 17 17 ASP N N 17 118.040 118.040 117.844 0.196 25848 2763 1 8 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.754 0.109 25848 2764 1 8 . 1 1 17 17 ASP C C 17 176.756 176.756 175.889 0.867 25848 2765 1 8 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.018 0.992 25848 2766 1 8 . 1 1 17 17 ASP H H 17 7.592 7.592 7.684 -0.092 25848 2767 1 8 . 1 1 18 18 CYS N N 18 119.499 119.499 118.388 1.111 25848 2768 1 8 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.204 0.696 25848 2769 1 8 . 1 1 18 18 CYS C C 18 176.186 176.186 174.589 1.597 25848 2770 1 8 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.597 11.290 25848 2771 1 8 . 1 1 18 18 CYS H H 18 8.729 8.729 7.690 1.039 25848 2772 1 8 . 1 1 19 19 CYS N N 19 120.655 120.655 113.045 7.610 25848 2773 1 8 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.370 0.045 25848 2774 1 8 . 1 1 19 19 CYS C C 19 171.719 171.719 172.769 -1.050 25848 2775 1 8 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.041 -3.472 25848 2776 1 8 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.572 11.345 25848 2777 1 8 . 1 1 19 19 CYS H H 19 9.086 9.086 7.981 1.105 25848 2778 1 8 . 1 1 20 20 GLU N N 20 118.445 118.445 123.127 -4.682 25848 2779 1 8 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.347 -0.416 25848 2780 1 8 . 1 1 20 20 GLU C C 20 176.509 176.509 176.297 0.212 25848 2781 1 8 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.658 1.162 25848 2782 1 8 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.962 -0.059 25848 2783 1 8 . 1 1 20 20 GLU H H 20 8.155 8.155 8.867 -0.712 25848 2784 1 8 . 1 1 21 21 GLY N N 21 113.662 113.662 113.009 0.653 25848 2785 1 8 . 1 1 21 21 GLY C C 21 172.614 172.614 172.696 -0.082 25848 2786 1 8 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.244 -0.713 25848 2787 1 8 . 1 1 21 21 GLY H H 21 8.719 8.719 8.536 0.183 25848 2788 1 8 . 1 1 22 22 LEU N N 22 120.372 120.372 118.389 1.983 25848 2789 1 8 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.162 -0.081 25848 2790 1 8 . 1 1 22 22 LEU C C 22 174.927 174.927 175.774 -0.847 25848 2791 1 8 . 1 1 22 22 LEU CA C 22 52.450 52.450 52.725 -0.275 25848 2792 1 8 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.713 -1.202 25848 2793 1 8 . 1 1 22 22 LEU H H 22 7.641 7.641 7.217 0.424 25848 2794 1 8 . 1 1 23 23 GLU N N 23 117.193 117.193 118.227 -1.034 25848 2795 1 8 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.556 0.152 25848 2796 1 8 . 1 1 23 23 GLU C C 23 173.821 173.821 175.159 -1.338 25848 2797 1 8 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.397 -1.065 25848 2798 1 8 . 1 1 23 23 GLU CB C 23 32.486 32.486 33.870 -1.384 25848 2799 1 8 . 1 1 23 23 GLU H H 23 9.299 9.299 8.369 0.930 25848 2800 1 8 . 1 1 24 24 CYS N N 24 123.260 123.260 125.254 -1.994 25848 2801 1 8 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.322 0.479 25848 2802 1 8 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.329 13.966 25848 2803 1 8 . 1 1 24 24 CYS H H 24 8.953 8.953 8.811 0.142 25848 2804 1 8 . 1 1 25 25 TYR N N 25 134.523 134.523 128.282 6.241 25848 2805 1 8 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.851 -0.038 25848 2806 1 8 . 1 1 25 25 TYR C C 25 173.768 173.768 173.938 -0.170 25848 2807 1 8 . 1 1 25 25 TYR CB C 25 43.346 43.346 42.248 1.098 25848 2808 1 8 . 1 1 25 25 TYR H H 25 9.338 9.338 8.685 0.653 25848 2809 1 8 . 1 1 26 26 LYS N N 26 127.496 127.496 121.366 6.130 25848 2810 1 8 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.483 -0.387 25848 2811 1 8 . 1 1 26 26 LYS C C 26 174.360 174.360 174.674 -0.314 25848 2812 1 8 . 1 1 26 26 LYS CA C 26 55.938 55.938 54.818 1.121 25848 2813 1 8 . 1 1 26 26 LYS CB C 26 32.667 32.667 34.292 -1.625 25848 2814 1 8 . 1 1 26 26 LYS H H 26 8.176 8.176 7.500 0.676 25848 2815 1 8 . 1 1 27 27 ARG N N 27 125.899 125.899 121.166 4.733 25848 2816 1 8 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.471 -0.246 25848 2817 1 8 . 1 1 27 27 ARG C C 27 174.385 174.385 176.226 -1.841 25848 2818 1 8 . 1 1 27 27 ARG CA C 27 55.989 55.989 54.590 1.399 25848 2819 1 8 . 1 1 27 27 ARG CB C 27 32.009 32.009 31.927 0.082 25848 2820 1 8 . 1 1 27 27 ARG H H 27 7.493 7.493 8.505 -1.012 25848 2821 1 8 . 1 1 28 28 ARG N N 28 121.214 121.214 121.508 -0.294 25848 2822 1 8 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.306 -0.394 25848 2823 1 8 . 1 1 28 28 ARG C C 28 176.613 176.613 177.607 -0.994 25848 2824 1 8 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.705 -0.091 25848 2825 1 8 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.099 -0.424 25848 2826 1 8 . 1 1 28 28 ARG H H 28 8.519 8.519 8.693 -0.174 25848 2827 1 8 . 1 1 29 29 HIS N N 29 116.413 116.413 118.356 -1.943 25848 2828 1 8 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.612 -0.132 25848 2829 1 8 . 1 1 29 29 HIS C C 29 174.166 174.166 175.687 -1.521 25848 2830 1 8 . 1 1 29 29 HIS CA C 29 56.020 56.020 57.216 -1.196 25848 2831 1 8 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.541 -2.408 25848 2832 1 8 . 1 1 29 29 HIS H H 29 8.771 8.771 8.372 0.399 25848 2833 1 8 . 1 1 30 30 SER N N 30 113.403 113.403 115.145 -1.742 25848 2834 1 8 . 1 1 30 30 SER HA H 30 4.469 4.469 4.413 0.056 25848 2835 1 8 . 1 1 30 30 SER C C 30 173.332 173.332 173.843 -0.511 25848 2836 1 8 . 1 1 30 30 SER CA C 30 57.257 57.257 58.885 -1.628 25848 2837 1 8 . 1 1 30 30 SER CB C 30 63.559 63.559 63.788 -0.229 25848 2838 1 8 . 1 1 30 30 SER H H 30 7.826 7.826 8.040 -0.214 25848 2839 1 8 . 1 1 31 31 PHE N N 31 118.662 118.662 116.794 1.868 25848 2840 1 8 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.710 0.083 25848 2841 1 8 . 1 1 31 31 PHE CB C 31 40.312 40.312 40.029 0.283 25848 2842 1 8 . 1 1 31 31 PHE H H 31 7.801 7.801 7.550 0.251 25848 2843 1 8 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.493 0.117 25848 2844 1 8 . 1 1 32 32 GLU CB C 32 30.289 30.289 29.576 0.713 25848 2845 1 8 . 1 1 33 33 VAL N N 33 121.027 121.027 119.777 1.250 25848 2846 1 8 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.531 0.570 25848 2847 1 8 . 1 1 33 33 VAL C C 33 175.754 175.754 175.113 0.641 25848 2848 1 8 . 1 1 33 33 VAL CA C 33 58.545 58.545 60.904 -2.359 25848 2849 1 8 . 1 1 33 33 VAL CB C 33 37.464 37.464 36.457 1.007 25848 2850 1 8 . 1 1 33 33 VAL H H 33 8.581 8.581 7.987 0.594 25848 2851 1 8 . 1 1 34 34 CYS N N 34 119.365 119.365 122.680 -3.315 25848 2852 1 8 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.539 0.525 25848 2853 1 8 . 1 1 34 34 CYS C C 34 174.853 174.853 174.789 0.064 25848 2854 1 8 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.725 -5.030 25848 2855 1 8 . 1 1 34 34 CYS CB C 34 39.974 39.974 26.133 13.841 25848 2856 1 8 . 1 1 34 34 CYS H H 34 7.968 7.968 8.817 -0.849 25848 2857 1 8 . 1 1 35 35 VAL N N 35 122.141 122.141 116.257 5.884 25848 2858 1 8 . 1 1 35 35 VAL HA H 35 4.468 4.468 3.982 0.486 25848 2859 1 8 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.362 0.668 25848 2860 1 8 . 1 1 35 35 VAL CB C 35 33.216 33.216 32.945 0.271 25848 2861 1 8 . 1 1 35 35 VAL H H 35 9.611 9.611 8.626 0.985 25848 2862 1 8 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.536 -0.138 25848 2863 1 8 . 1 1 36 36 PRO C C 36 176.509 176.509 176.664 -0.155 25848 2864 1 8 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.244 1.076 25848 2865 1 8 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.627 0.485 25848 2866 1 8 . 1 1 37 37 ILE N N 37 125.294 125.294 126.541 -1.247 25848 2867 1 8 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.253 -0.122 25848 2868 1 8 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.293 0.497 25848 2869 1 8 . 1 1 37 37 ILE CB C 37 39.566 39.566 37.607 1.959 25848 2870 1 8 . 1 1 37 37 ILE H H 37 7.927 7.927 7.777 0.150 25848 2871 1 8 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.519 -0.182 25848 2872 1 8 . 1 1 38 38 PRO C C 38 177.800 177.800 177.539 0.261 25848 2873 1 8 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.551 0.543 25848 2874 1 8 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.968 -0.237 25848 2875 1 8 . 1 1 39 39 GLY N N 39 112.745 112.745 112.296 0.449 25848 2876 1 8 . 1 1 39 39 GLY C C 39 174.463 174.463 174.808 -0.345 25848 2877 1 8 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.217 0.246 25848 2878 1 8 . 1 1 39 39 GLY H H 39 8.843 8.843 8.479 0.364 25848 2879 1 8 . 1 1 40 40 PHE N N 40 120.803 120.803 120.137 0.666 25848 2880 1 8 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.438 -0.117 25848 2881 1 8 . 1 1 40 40 PHE C C 40 174.706 174.706 174.662 0.044 25848 2882 1 8 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.288 0.381 25848 2883 1 8 . 1 1 40 40 PHE CB C 40 39.815 39.815 40.013 -0.198 25848 2884 1 8 . 1 1 40 40 PHE H H 40 7.762 7.762 7.546 0.216 25848 2885 1 8 . 1 1 41 41 CYS N N 41 120.807 120.807 120.901 -0.094 25848 2886 1 8 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.621 -0.047 25848 2887 1 8 . 1 1 41 41 CYS C C 41 171.732 171.732 171.826 -0.094 25848 2888 1 8 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.115 -1.449 25848 2889 1 8 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.734 13.375 25848 2890 1 8 . 1 1 41 41 CYS H H 41 7.040 7.040 7.272 -0.232 25848 2891 1 8 . 1 1 42 42 LEU N N 42 119.987 119.987 119.536 0.451 25848 2892 1 8 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.858 -0.586 25848 2893 1 8 . 1 1 42 42 LEU C C 42 173.872 173.872 176.319 -2.447 25848 2894 1 8 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.271 0.732 25848 2895 1 8 . 1 1 42 42 LEU CB C 42 43.826 43.826 45.279 -1.453 25848 2896 1 8 . 1 1 42 42 LEU H H 42 8.728 8.728 8.168 0.560 25848 2897 1 8 . 1 1 43 43 VAL N N 43 115.632 115.632 115.881 -0.249 25848 2898 1 8 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.387 -0.579 25848 2899 1 8 . 1 1 43 43 VAL C C 43 173.751 173.751 176.092 -2.341 25848 2900 1 8 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.494 -0.236 25848 2901 1 8 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.066 -1.209 25848 2902 1 8 . 1 1 43 43 VAL H H 43 7.192 7.192 8.103 -0.911 25848 2903 1 8 . 1 1 44 44 LYS N N 44 117.023 117.023 118.136 -1.113 25848 2904 1 8 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.118 -0.888 25848 2905 1 8 . 1 1 44 44 LYS C C 44 176.385 176.385 175.558 0.827 25848 2906 1 8 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.176 0.597 25848 2907 1 8 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.811 0.220 25848 2908 1 8 . 1 1 44 44 LYS H H 44 7.531 7.531 8.641 -1.110 25848 2909 1 8 . 1 1 45 45 TRP N N 45 117.377 117.377 118.173 -0.796 25848 2910 1 8 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.788 -0.341 25848 2911 1 8 . 1 1 45 45 TRP C C 45 175.675 175.675 175.028 0.647 25848 2912 1 8 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.091 1.930 25848 2913 1 8 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.732 -2.737 25848 2914 1 8 . 1 1 45 45 TRP H H 45 9.364 9.364 7.624 1.740 25848 2915 1 8 . 1 1 46 46 LYS N N 46 119.913 119.913 120.080 -0.167 25848 2916 1 8 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.749 -0.359 25848 2917 1 8 . 1 1 46 46 LYS C C 46 176.776 176.776 176.042 0.734 25848 2918 1 8 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.762 0.399 25848 2919 1 8 . 1 1 46 46 LYS CB C 46 33.666 33.666 34.907 -1.241 25848 2920 1 8 . 1 1 46 46 LYS H H 46 7.985 7.985 7.418 0.567 25848 2921 1 8 . 1 1 47 47 GLN N N 47 121.031 121.031 120.381 0.650 25848 2922 1 8 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.332 0.547 25848 2923 1 8 . 1 1 47 47 GLN C C 47 177.118 177.118 176.731 0.387 25848 2924 1 8 . 1 1 47 47 GLN CB C 47 28.555 28.555 29.025 -0.470 25848 2925 1 8 . 1 1 47 47 GLN H H 47 8.623 8.623 8.774 -0.151 25848 2926 1 8 . 1 1 48 48 CYS N N 48 115.456 115.456 120.144 -4.688 25848 2927 1 8 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.830 -0.074 25848 2928 1 8 . 1 1 48 48 CYS C C 48 173.978 173.978 175.506 -1.528 25848 2929 1 8 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.411 14.578 25848 2930 1 8 . 1 1 48 48 CYS H H 48 8.365 8.365 8.400 -0.035 25848 2931 1 8 . 1 1 49 49 ASP N N 49 123.208 123.208 123.722 -0.514 25848 2932 1 8 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.409 0.039 25848 2933 1 8 . 1 1 49 49 ASP C C 49 177.773 177.773 177.671 0.102 25848 2934 1 8 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.361 0.627 25848 2935 1 8 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.537 0.543 25848 2936 1 8 . 1 1 49 49 ASP H H 49 7.839 7.839 7.752 0.087 25848 2937 1 8 . 1 1 50 50 GLY N N 50 115.583 115.583 115.998 -0.415 25848 2938 1 8 . 1 1 50 50 GLY C C 50 173.522 173.522 175.221 -1.699 25848 2939 1 8 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.546 0.738 25848 2940 1 8 . 1 1 50 50 GLY H H 50 9.371 9.371 8.919 0.452 25848 2941 1 8 . 1 1 51 51 ARG N N 51 122.794 122.794 122.202 0.592 25848 2942 1 8 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.646 0.012 25848 2943 1 8 . 1 1 51 51 ARG C C 51 176.977 176.977 176.925 0.052 25848 2944 1 8 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.386 0.365 25848 2945 1 8 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.528 1.555 25848 2946 1 8 . 1 1 51 51 ARG H H 51 8.199 8.199 8.046 0.153 25848 2947 1 8 . 1 1 52 52 GLU N N 52 117.957 117.957 118.408 -0.451 25848 2948 1 8 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.106 -0.032 25848 2949 1 8 . 1 1 52 52 GLU C C 52 178.254 178.254 176.521 1.733 25848 2950 1 8 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.701 2.529 25848 2951 1 8 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.018 -0.210 25848 2952 1 8 . 1 1 52 52 GLU H H 52 8.992 8.992 8.640 0.352 25848 2953 1 8 . 1 1 53 53 ARG N N 53 116.423 116.423 116.972 -0.549 25848 2954 1 8 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.536 0.028 25848 2955 1 8 . 1 1 53 53 ARG C C 53 177.327 177.327 175.400 1.927 25848 2956 1 8 . 1 1 53 53 ARG CA C 53 55.480 55.480 56.067 -0.587 25848 2957 1 8 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.111 -0.846 25848 2958 1 8 . 1 1 53 53 ARG H H 53 8.513 8.513 7.968 0.545 25848 2959 1 8 . 1 1 54 54 ASP N N 54 118.043 118.043 120.055 -2.012 25848 2960 1 8 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.815 -0.000 25848 2961 1 8 . 1 1 54 54 ASP C C 54 176.941 176.941 175.272 1.669 25848 2962 1 8 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.735 -2.988 25848 2963 1 8 . 1 1 54 54 ASP H H 54 7.933 7.933 8.107 -0.174 25848 2964 1 8 . 1 1 55 55 CYS N N 55 118.999 118.999 118.429 0.570 25848 2965 1 8 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.162 0.815 25848 2966 1 8 . 1 1 55 55 CYS C C 55 175.757 175.757 175.376 0.381 25848 2967 1 8 . 1 1 55 55 CYS CA C 55 55.989 55.989 61.003 -5.014 25848 2968 1 8 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.267 11.167 25848 2969 1 8 . 1 1 55 55 CYS H H 55 8.222 8.222 7.580 0.642 25848 2970 1 8 . 1 1 56 56 CYS N N 56 121.139 121.139 119.977 1.162 25848 2971 1 8 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.350 -0.016 25848 2972 1 8 . 1 1 56 56 CYS C C 56 171.957 171.957 175.497 -3.540 25848 2973 1 8 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.669 -5.178 25848 2974 1 8 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.425 12.588 25848 2975 1 8 . 1 1 56 56 CYS H H 56 8.999 8.999 8.096 0.903 25848 2976 1 8 . 1 1 57 57 ALA N N 57 120.553 120.553 124.077 -3.524 25848 2977 1 8 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.191 -0.118 25848 2978 1 8 . 1 1 57 57 ALA C C 57 178.248 178.248 178.395 -0.147 25848 2979 1 8 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.142 0.622 25848 2980 1 8 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.768 -0.371 25848 2981 1 8 . 1 1 57 57 ALA H H 57 8.084 8.084 8.477 -0.393 25848 2982 1 8 . 1 1 58 58 GLY N N 58 110.247 110.247 111.495 -1.248 25848 2983 1 8 . 1 1 58 58 GLY C C 58 173.204 173.204 174.479 -1.275 25848 2984 1 8 . 1 1 58 58 GLY CA C 58 44.758 44.758 45.153 -0.395 25848 2985 1 8 . 1 1 58 58 GLY H H 58 8.713 8.713 8.647 0.066 25848 2986 1 8 . 1 1 59 59 LEU N N 59 120.155 120.155 121.788 -1.633 25848 2987 1 8 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.604 0.362 25848 2988 1 8 . 1 1 59 59 LEU C C 59 175.349 175.349 176.097 -0.748 25848 2989 1 8 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.652 -2.207 25848 2990 1 8 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.773 0.711 25848 2991 1 8 . 1 1 59 59 LEU H H 59 7.901 7.901 7.359 0.542 25848 2992 1 8 . 1 1 60 60 GLU N N 60 117.726 117.726 115.289 2.437 25848 2993 1 8 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.407 0.272 25848 2994 1 8 . 1 1 60 60 GLU C C 60 174.016 174.016 174.555 -0.539 25848 2995 1 8 . 1 1 60 60 GLU CB C 60 32.595 32.595 31.923 0.672 25848 2996 1 8 . 1 1 60 60 GLU H H 60 9.145 9.145 8.031 1.114 25848 2997 1 8 . 1 1 61 61 CYS N N 61 122.299 122.299 123.049 -0.750 25848 2998 1 8 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.396 0.450 25848 2999 1 8 . 1 1 61 61 CYS C C 61 173.374 173.374 174.860 -1.486 25848 3000 1 8 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.327 14.147 25848 3001 1 8 . 1 1 61 61 CYS H H 61 9.064 9.064 9.012 0.052 25848 3002 1 8 . 1 1 62 62 TRP N N 62 135.668 135.668 130.774 4.894 25848 3003 1 8 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.593 0.305 25848 3004 1 8 . 1 1 62 62 TRP C C 62 174.430 174.430 174.875 -0.445 25848 3005 1 8 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.166 1.300 25848 3006 1 8 . 1 1 62 62 TRP CB C 62 30.985 30.985 31.023 -0.038 25848 3007 1 8 . 1 1 62 62 TRP H H 62 9.434 9.434 8.472 0.962 25848 3008 1 8 . 1 1 63 63 LYS N N 63 128.624 128.624 127.914 0.710 25848 3009 1 8 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.351 -0.004 25848 3010 1 8 . 1 1 63 63 LYS C C 63 175.409 175.409 175.564 -0.155 25848 3011 1 8 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.123 0.498 25848 3012 1 8 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.347 0.171 25848 3013 1 8 . 1 1 63 63 LYS H H 63 8.392 8.392 8.539 -0.147 25848 3014 1 8 . 1 1 64 64 ARG N N 64 125.507 125.507 124.322 1.185 25848 3015 1 8 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.297 -0.362 25848 3016 1 8 . 1 1 64 64 ARG C C 64 175.704 175.704 174.609 1.095 25848 3017 1 8 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.395 0.459 25848 3018 1 8 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.168 0.328 25848 3019 1 8 . 1 1 64 64 ARG H H 64 7.877 7.877 8.081 -0.204 25848 3020 1 8 . 1 1 65 65 SER N N 65 115.709 115.709 118.191 -2.482 25848 3021 1 8 . 1 1 65 65 SER HA H 65 4.306 4.306 4.735 -0.429 25848 3022 1 8 . 1 1 65 65 SER C C 65 175.289 175.289 175.313 -0.024 25848 3023 1 8 . 1 1 65 65 SER CA C 65 58.778 58.778 57.762 1.016 25848 3024 1 8 . 1 1 65 65 SER CB C 65 63.667 63.667 64.716 -1.049 25848 3025 1 8 . 1 1 65 65 SER H H 65 8.198 8.198 8.254 -0.056 25848 3026 1 8 . 1 1 66 66 GLY N N 66 110.671 110.671 113.143 -2.472 25848 3027 1 8 . 1 1 66 66 GLY C C 66 174.634 174.634 175.051 -0.417 25848 3028 1 8 . 1 1 66 66 GLY CA C 66 46.080 46.080 44.897 1.183 25848 3029 1 8 . 1 1 66 66 GLY H H 66 8.675 8.675 8.553 0.122 25848 3030 1 8 . 1 1 67 67 ASN N N 67 118.608 118.608 117.375 1.233 25848 3031 1 8 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.936 -0.274 25848 3032 1 8 . 1 1 67 67 ASN C C 67 175.108 175.108 175.737 -0.629 25848 3033 1 8 . 1 1 67 67 ASN CA C 67 52.755 52.755 54.182 -1.427 25848 3034 1 8 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.263 -0.763 25848 3035 1 8 . 1 1 67 67 ASN H H 67 8.374 8.374 8.239 0.135 25848 3036 1 8 . 1 1 68 68 LYS N N 68 119.218 119.218 118.379 0.839 25848 3037 1 8 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.406 -0.076 25848 3038 1 8 . 1 1 68 68 LYS C C 68 176.405 176.405 175.033 1.372 25848 3039 1 8 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.348 1.059 25848 3040 1 8 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.410 -0.503 25848 3041 1 8 . 1 1 68 68 LYS H H 68 7.816 7.816 7.802 0.014 25848 3042 1 8 . 1 1 69 69 SER N N 69 115.165 115.165 115.453 -0.288 25848 3043 1 8 . 1 1 69 69 SER HA H 69 4.615 4.615 4.394 0.221 25848 3044 1 8 . 1 1 69 69 SER C C 69 174.381 174.381 174.775 -0.394 25848 3045 1 8 . 1 1 69 69 SER CA C 69 57.773 57.773 58.883 -1.110 25848 3046 1 8 . 1 1 69 69 SER CB C 69 64.533 64.533 63.801 0.732 25848 3047 1 8 . 1 1 69 69 SER H H 69 8.176 8.176 8.386 -0.210 25848 3048 1 8 . 1 1 70 70 SER N N 70 121.583 121.583 116.455 5.128 25848 3049 1 8 . 1 1 70 70 SER HA H 70 5.011 5.011 4.384 0.627 25848 3050 1 8 . 1 1 70 70 SER C C 70 175.256 175.256 174.531 0.725 25848 3051 1 8 . 1 1 70 70 SER CA C 70 58.455 58.455 58.375 0.080 25848 3052 1 8 . 1 1 70 70 SER CB C 70 63.987 63.987 63.460 0.527 25848 3053 1 8 . 1 1 70 70 SER H H 70 9.539 9.539 8.351 1.188 25848 3054 1 8 . 1 1 71 71 VAL N N 71 115.977 115.977 118.024 -2.047 25848 3055 1 8 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.814 0.524 25848 3056 1 8 . 1 1 71 71 VAL C C 71 176.220 176.220 174.867 1.353 25848 3057 1 8 . 1 1 71 71 VAL CA C 71 58.655 58.655 58.672 -0.017 25848 3058 1 8 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.640 2.782 25848 3059 1 8 . 1 1 71 71 VAL H H 71 8.502 8.502 7.870 0.632 25848 3060 1 8 . 1 1 72 72 CYS N N 72 120.794 120.794 118.342 2.452 25848 3061 1 8 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.567 -0.542 25848 3062 1 8 . 1 1 72 72 CYS C C 72 174.142 174.142 174.518 -0.376 25848 3063 1 8 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.984 -3.519 25848 3064 1 8 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.295 9.163 25848 3065 1 8 . 1 1 72 72 CYS H H 72 8.557 8.557 8.117 0.440 25848 3066 1 8 . 1 1 73 73 ALA N N 73 130.318 130.318 125.518 4.800 25848 3067 1 8 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.758 -0.298 25848 3068 1 8 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.487 0.110 25848 3069 1 8 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.352 1.181 25848 3070 1 8 . 1 1 73 73 ALA H H 73 9.629 9.629 8.793 0.836 25848 3071 1 8 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.498 0.002 25848 3072 1 8 . 1 1 74 74 PRO C C 74 176.504 176.504 176.572 -0.068 25848 3073 1 8 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.936 1.283 25848 3074 1 8 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.225 -0.322 25848 3075 1 8 . 1 1 75 75 ILE N N 75 122.019 122.019 113.718 8.301 25848 3076 1 8 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.198 -0.254 25848 3077 1 8 . 1 1 75 75 ILE C C 75 175.793 175.793 176.151 -0.358 25848 3078 1 8 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.738 0.608 25848 3079 1 8 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.894 1.075 25848 3080 1 8 . 1 1 75 75 ILE H H 75 7.769 7.769 7.936 -0.167 25848 3081 1 9 . 1 1 2 2 ASN HA H 2 4.711 4.711 5.101 -0.391 25848 3082 1 9 . 1 1 2 2 ASN C C 2 174.785 174.785 174.060 0.725 25848 3083 1 9 . 1 1 2 2 ASN CB C 2 38.820 38.820 40.236 -1.416 25848 3084 1 9 . 1 1 3 3 GLU N N 3 121.744 121.744 120.281 1.463 25848 3085 1 9 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.522 -0.174 25848 3086 1 9 . 1 1 3 3 GLU C C 3 176.060 176.060 175.714 0.346 25848 3087 1 9 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.003 0.264 25848 3088 1 9 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.324 -0.137 25848 3089 1 9 . 1 1 3 3 GLU H H 3 8.470 8.470 8.586 -0.116 25848 3090 1 9 . 1 1 4 4 CYS N N 4 119.765 119.765 116.931 2.834 25848 3091 1 9 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.747 0.050 25848 3092 1 9 . 1 1 4 4 CYS C C 4 173.263 173.263 174.272 -1.009 25848 3093 1 9 . 1 1 4 4 CYS CB C 4 42.301 42.301 30.399 11.902 25848 3094 1 9 . 1 1 4 4 CYS H H 4 8.317 8.317 8.455 -0.138 25848 3095 1 9 . 1 1 5 5 ILE N N 5 122.940 122.940 122.526 0.414 25848 3096 1 9 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.108 -0.220 25848 3097 1 9 . 1 1 5 5 ILE C C 5 173.890 173.890 176.034 -2.144 25848 3098 1 9 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.917 0.598 25848 3099 1 9 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.877 0.403 25848 3100 1 9 . 1 1 5 5 ILE H H 5 8.912 8.912 8.151 0.761 25848 3101 1 9 . 1 1 6 6 ARG N N 6 125.981 125.981 126.056 -0.075 25848 3102 1 9 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.329 -0.467 25848 3103 1 9 . 1 1 6 6 ARG C C 6 174.259 174.259 175.818 -1.559 25848 3104 1 9 . 1 1 6 6 ARG CA C 6 56.018 56.018 55.747 0.271 25848 3105 1 9 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.942 0.835 25848 3106 1 9 . 1 1 6 6 ARG H H 6 7.528 7.528 8.291 -0.763 25848 3107 1 9 . 1 1 7 7 LYS N N 7 116.267 116.267 121.951 -5.684 25848 3108 1 9 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.892 -0.606 25848 3109 1 9 . 1 1 7 7 LYS C C 7 175.417 175.417 176.943 -1.526 25848 3110 1 9 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.556 0.767 25848 3111 1 9 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.643 0.028 25848 3112 1 9 . 1 1 7 7 LYS H H 7 7.558 7.558 8.326 -0.768 25848 3113 1 9 . 1 1 8 8 TRP N N 8 115.300 115.300 122.827 -7.527 25848 3114 1 9 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.329 -0.069 25848 3115 1 9 . 1 1 8 8 TRP C C 8 175.069 175.069 175.539 -0.470 25848 3116 1 9 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.179 -0.171 25848 3117 1 9 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.885 0.802 25848 3118 1 9 . 1 1 8 8 TRP H H 8 9.357 9.357 8.310 1.047 25848 3119 1 9 . 1 1 9 9 LEU N N 9 120.240 120.240 120.757 -0.517 25848 3120 1 9 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.646 0.051 25848 3121 1 9 . 1 1 9 9 LEU C C 9 176.636 176.636 175.863 0.773 25848 3122 1 9 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.284 -2.036 25848 3123 1 9 . 1 1 9 9 LEU H H 9 7.701 7.701 7.916 -0.215 25848 3124 1 9 . 1 1 10 10 SER N N 10 110.077 110.077 110.255 -0.178 25848 3125 1 9 . 1 1 10 10 SER HA H 10 4.704 4.704 5.000 -0.296 25848 3126 1 9 . 1 1 10 10 SER CB C 10 64.064 64.064 63.541 0.523 25848 3127 1 9 . 1 1 10 10 SER H H 10 8.148 8.148 8.137 0.011 25848 3128 1 9 . 1 1 11 11 CYS N N 11 121.141 121.141 121.442 -0.301 25848 3129 1 9 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.867 0.003 25848 3130 1 9 . 1 1 11 11 CYS CB C 11 44.031 44.031 28.092 15.939 25848 3131 1 9 . 1 1 11 11 CYS H H 11 8.580 8.580 9.039 -0.459 25848 3132 1 9 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.830 -0.265 25848 3133 1 9 . 1 1 12 12 VAL CA C 12 65.197 65.197 64.525 0.672 25848 3134 1 9 . 1 1 12 12 VAL H H 12 7.776 7.776 7.306 0.470 25848 3135 1 9 . 1 1 15 15 LYS N N 15 117.195 117.195 124.470 -7.275 25848 3136 1 9 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.118 0.241 25848 3137 1 9 . 1 1 15 15 LYS C C 15 177.505 177.505 176.719 0.786 25848 3138 1 9 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.562 0.880 25848 3139 1 9 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.652 -0.081 25848 3140 1 9 . 1 1 15 15 LYS H H 15 7.936 7.936 8.592 -0.656 25848 3141 1 9 . 1 1 16 16 ASN N N 16 115.005 115.005 116.828 -1.823 25848 3142 1 9 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.535 0.540 25848 3143 1 9 . 1 1 16 16 ASN C C 16 176.707 176.707 175.053 1.654 25848 3144 1 9 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.352 -1.342 25848 3145 1 9 . 1 1 16 16 ASN CB C 16 39.169 39.169 37.914 1.255 25848 3146 1 9 . 1 1 16 16 ASN H H 16 8.644 8.644 8.516 0.128 25848 3147 1 9 . 1 1 17 17 ASP N N 17 118.040 118.040 120.065 -2.025 25848 3148 1 9 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.871 -0.008 25848 3149 1 9 . 1 1 17 17 ASP C C 17 176.756 176.756 176.286 0.470 25848 3150 1 9 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.167 0.843 25848 3151 1 9 . 1 1 17 17 ASP H H 17 7.592 7.592 8.063 -0.471 25848 3152 1 9 . 1 1 18 18 CYS N N 18 119.499 119.499 117.632 1.867 25848 3153 1 9 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.239 0.661 25848 3154 1 9 . 1 1 18 18 CYS C C 18 176.186 176.186 174.717 1.469 25848 3155 1 9 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.562 11.325 25848 3156 1 9 . 1 1 18 18 CYS H H 18 8.729 8.729 7.989 0.740 25848 3157 1 9 . 1 1 19 19 CYS N N 19 120.655 120.655 112.531 8.124 25848 3158 1 9 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.391 0.024 25848 3159 1 9 . 1 1 19 19 CYS C C 19 171.719 171.719 172.771 -1.052 25848 3160 1 9 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.161 -3.592 25848 3161 1 9 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.484 11.433 25848 3162 1 9 . 1 1 19 19 CYS H H 19 9.086 9.086 8.291 0.795 25848 3163 1 9 . 1 1 20 20 GLU N N 20 118.445 118.445 123.036 -4.591 25848 3164 1 9 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.300 -0.369 25848 3165 1 9 . 1 1 20 20 GLU C C 20 176.509 176.509 176.693 -0.184 25848 3166 1 9 . 1 1 20 20 GLU CA C 20 57.820 57.820 57.065 0.756 25848 3167 1 9 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.759 0.144 25848 3168 1 9 . 1 1 20 20 GLU H H 20 8.155 8.155 8.908 -0.753 25848 3169 1 9 . 1 1 21 21 GLY N N 21 113.662 113.662 113.285 0.377 25848 3170 1 9 . 1 1 21 21 GLY C C 21 172.614 172.614 172.694 -0.080 25848 3171 1 9 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.416 -0.885 25848 3172 1 9 . 1 1 21 21 GLY H H 21 8.719 8.719 8.567 0.152 25848 3173 1 9 . 1 1 22 22 LEU N N 22 120.372 120.372 119.289 1.083 25848 3174 1 9 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.023 0.058 25848 3175 1 9 . 1 1 22 22 LEU C C 22 174.927 174.927 175.358 -0.431 25848 3176 1 9 . 1 1 22 22 LEU CA C 22 52.450 52.450 52.978 -0.528 25848 3177 1 9 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.373 -0.862 25848 3178 1 9 . 1 1 22 22 LEU H H 22 7.641 7.641 7.005 0.636 25848 3179 1 9 . 1 1 23 23 GLU N N 23 117.193 117.193 118.578 -1.385 25848 3180 1 9 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.784 -0.076 25848 3181 1 9 . 1 1 23 23 GLU C C 23 173.821 173.821 174.802 -0.981 25848 3182 1 9 . 1 1 23 23 GLU CA C 23 53.332 53.332 53.995 -0.663 25848 3183 1 9 . 1 1 23 23 GLU CB C 23 32.486 32.486 33.536 -1.050 25848 3184 1 9 . 1 1 23 23 GLU H H 23 9.299 9.299 8.954 0.345 25848 3185 1 9 . 1 1 24 24 CYS N N 24 123.260 123.260 124.031 -0.771 25848 3186 1 9 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.442 0.359 25848 3187 1 9 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.346 13.950 25848 3188 1 9 . 1 1 24 24 CYS H H 24 8.953 8.953 8.852 0.101 25848 3189 1 9 . 1 1 25 25 TYR N N 25 134.523 134.523 128.588 5.935 25848 3190 1 9 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.571 0.242 25848 3191 1 9 . 1 1 25 25 TYR C C 25 173.768 173.768 174.501 -0.733 25848 3192 1 9 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.044 2.301 25848 3193 1 9 . 1 1 25 25 TYR H H 25 9.338 9.338 8.271 1.067 25848 3194 1 9 . 1 1 26 26 LYS N N 26 127.496 127.496 124.875 2.621 25848 3195 1 9 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.352 -0.256 25848 3196 1 9 . 1 1 26 26 LYS C C 26 174.360 174.360 176.042 -1.682 25848 3197 1 9 . 1 1 26 26 LYS CA C 26 55.938 55.938 56.123 -0.185 25848 3198 1 9 . 1 1 26 26 LYS CB C 26 32.667 32.667 32.686 -0.019 25848 3199 1 9 . 1 1 26 26 LYS H H 26 8.176 8.176 7.798 0.378 25848 3200 1 9 . 1 1 27 27 ARG N N 27 125.899 125.899 124.291 1.608 25848 3201 1 9 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.800 -0.575 25848 3202 1 9 . 1 1 27 27 ARG C C 27 174.385 174.385 176.428 -2.043 25848 3203 1 9 . 1 1 27 27 ARG CA C 27 55.989 55.989 55.618 0.370 25848 3204 1 9 . 1 1 27 27 ARG CB C 27 32.009 32.009 31.980 0.029 25848 3205 1 9 . 1 1 27 27 ARG H H 27 7.493 7.493 8.661 -1.168 25848 3206 1 9 . 1 1 28 28 ARG N N 28 121.214 121.214 120.543 0.671 25848 3207 1 9 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.378 -0.466 25848 3208 1 9 . 1 1 28 28 ARG C C 28 176.613 176.613 176.903 -0.290 25848 3209 1 9 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.753 -0.139 25848 3210 1 9 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.330 -0.655 25848 3211 1 9 . 1 1 28 28 ARG H H 28 8.519 8.519 8.851 -0.332 25848 3212 1 9 . 1 1 29 29 HIS N N 29 116.413 116.413 117.943 -1.530 25848 3213 1 9 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.829 -0.349 25848 3214 1 9 . 1 1 29 29 HIS C C 29 174.166 174.166 174.127 0.039 25848 3215 1 9 . 1 1 29 29 HIS CA C 29 56.020 56.020 55.557 0.463 25848 3216 1 9 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.796 -2.662 25848 3217 1 9 . 1 1 29 29 HIS H H 29 8.771 8.771 8.296 0.474 25848 3218 1 9 . 1 1 30 30 SER N N 30 113.403 113.403 115.988 -2.585 25848 3219 1 9 . 1 1 30 30 SER HA H 30 4.469 4.469 4.671 -0.202 25848 3220 1 9 . 1 1 30 30 SER C C 30 173.332 173.332 173.855 -0.523 25848 3221 1 9 . 1 1 30 30 SER CA C 30 57.257 57.257 57.336 -0.078 25848 3222 1 9 . 1 1 30 30 SER CB C 30 63.559 63.559 64.740 -1.181 25848 3223 1 9 . 1 1 30 30 SER H H 30 7.826 7.826 7.758 0.068 25848 3224 1 9 . 1 1 31 31 PHE N N 31 118.662 118.662 121.459 -2.797 25848 3225 1 9 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.385 0.408 25848 3226 1 9 . 1 1 31 31 PHE CB C 31 40.312 40.312 40.214 0.098 25848 3227 1 9 . 1 1 31 31 PHE H H 31 7.801 7.801 8.538 -0.737 25848 3228 1 9 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.773 -0.163 25848 3229 1 9 . 1 1 32 32 GLU CB C 32 30.289 30.289 31.197 -0.908 25848 3230 1 9 . 1 1 33 33 VAL N N 33 121.027 121.027 116.015 5.012 25848 3231 1 9 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.785 0.316 25848 3232 1 9 . 1 1 33 33 VAL C C 33 175.754 175.754 174.890 0.864 25848 3233 1 9 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.126 -0.581 25848 3234 1 9 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.389 2.075 25848 3235 1 9 . 1 1 33 33 VAL H H 33 8.581 8.581 8.283 0.298 25848 3236 1 9 . 1 1 34 34 CYS N N 34 119.365 119.365 121.324 -1.959 25848 3237 1 9 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.313 0.751 25848 3238 1 9 . 1 1 34 34 CYS C C 34 174.853 174.853 174.693 0.160 25848 3239 1 9 . 1 1 34 34 CYS CA C 34 54.695 54.695 60.300 -5.605 25848 3240 1 9 . 1 1 34 34 CYS CB C 34 39.974 39.974 24.721 15.253 25848 3241 1 9 . 1 1 34 34 CYS H H 34 7.968 7.968 8.831 -0.863 25848 3242 1 9 . 1 1 35 35 VAL N N 35 122.141 122.141 118.723 3.418 25848 3243 1 9 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.345 0.123 25848 3244 1 9 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.941 0.089 25848 3245 1 9 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.334 -0.118 25848 3246 1 9 . 1 1 35 35 VAL H H 35 9.611 9.611 8.551 1.060 25848 3247 1 9 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.670 -0.272 25848 3248 1 9 . 1 1 36 36 PRO C C 36 176.509 176.509 176.528 -0.019 25848 3249 1 9 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.169 1.151 25848 3250 1 9 . 1 1 36 36 PRO CB C 36 32.112 32.112 32.164 -0.052 25848 3251 1 9 . 1 1 37 37 ILE N N 37 125.294 125.294 124.505 0.789 25848 3252 1 9 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.691 -0.560 25848 3253 1 9 . 1 1 37 37 ILE CA C 37 59.790 59.790 58.598 1.192 25848 3254 1 9 . 1 1 37 37 ILE CB C 37 39.566 39.566 38.897 0.669 25848 3255 1 9 . 1 1 37 37 ILE H H 37 7.927 7.927 7.964 -0.037 25848 3256 1 9 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.559 -0.222 25848 3257 1 9 . 1 1 38 38 PRO C C 38 177.800 177.800 177.553 0.247 25848 3258 1 9 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.599 0.495 25848 3259 1 9 . 1 1 38 38 PRO CB C 38 31.731 31.731 32.019 -0.288 25848 3260 1 9 . 1 1 39 39 GLY N N 39 112.745 112.745 112.349 0.396 25848 3261 1 9 . 1 1 39 39 GLY C C 39 174.463 174.463 174.831 -0.368 25848 3262 1 9 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.232 0.231 25848 3263 1 9 . 1 1 39 39 GLY H H 39 8.843 8.843 8.498 0.345 25848 3264 1 9 . 1 1 40 40 PHE N N 40 120.803 120.803 120.170 0.633 25848 3265 1 9 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.466 -0.145 25848 3266 1 9 . 1 1 40 40 PHE C C 40 174.706 174.706 174.693 0.013 25848 3267 1 9 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.201 0.467 25848 3268 1 9 . 1 1 40 40 PHE CB C 40 39.815 39.815 40.006 -0.191 25848 3269 1 9 . 1 1 40 40 PHE H H 40 7.762 7.762 7.561 0.201 25848 3270 1 9 . 1 1 41 41 CYS N N 41 120.807 120.807 121.191 -0.384 25848 3271 1 9 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.616 -0.042 25848 3272 1 9 . 1 1 41 41 CYS C C 41 171.732 171.732 171.871 -0.139 25848 3273 1 9 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.171 -1.505 25848 3274 1 9 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.733 13.376 25848 3275 1 9 . 1 1 41 41 CYS H H 41 7.040 7.040 7.351 -0.311 25848 3276 1 9 . 1 1 42 42 LEU N N 42 119.987 119.987 119.192 0.795 25848 3277 1 9 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.885 -0.613 25848 3278 1 9 . 1 1 42 42 LEU C C 42 173.872 173.872 176.136 -2.264 25848 3279 1 9 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.508 0.495 25848 3280 1 9 . 1 1 42 42 LEU CB C 42 43.826 43.826 45.053 -1.228 25848 3281 1 9 . 1 1 42 42 LEU H H 42 8.728 8.728 8.149 0.579 25848 3282 1 9 . 1 1 43 43 VAL N N 43 115.632 115.632 115.089 0.543 25848 3283 1 9 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.409 -0.601 25848 3284 1 9 . 1 1 43 43 VAL C C 43 173.751 173.751 175.750 -1.999 25848 3285 1 9 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.599 -0.341 25848 3286 1 9 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.117 -1.260 25848 3287 1 9 . 1 1 43 43 VAL H H 43 7.192 7.192 8.057 -0.865 25848 3288 1 9 . 1 1 44 44 LYS N N 44 117.023 117.023 117.626 -0.603 25848 3289 1 9 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.166 -0.936 25848 3290 1 9 . 1 1 44 44 LYS C C 44 176.385 176.385 175.405 0.980 25848 3291 1 9 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.204 0.569 25848 3292 1 9 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.751 0.280 25848 3293 1 9 . 1 1 44 44 LYS H H 44 7.531 7.531 8.565 -1.034 25848 3294 1 9 . 1 1 45 45 TRP N N 45 117.377 117.377 118.454 -1.077 25848 3295 1 9 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.793 -0.346 25848 3296 1 9 . 1 1 45 45 TRP C C 45 175.675 175.675 174.990 0.685 25848 3297 1 9 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.148 1.873 25848 3298 1 9 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.708 -2.713 25848 3299 1 9 . 1 1 45 45 TRP H H 45 9.364 9.364 7.643 1.721 25848 3300 1 9 . 1 1 46 46 LYS N N 46 119.913 119.913 119.991 -0.078 25848 3301 1 9 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.757 -0.367 25848 3302 1 9 . 1 1 46 46 LYS C C 46 176.776 176.776 175.954 0.822 25848 3303 1 9 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.729 0.432 25848 3304 1 9 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.083 -1.417 25848 3305 1 9 . 1 1 46 46 LYS H H 46 7.985 7.985 7.456 0.529 25848 3306 1 9 . 1 1 47 47 GLN N N 47 121.031 121.031 120.464 0.567 25848 3307 1 9 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.330 0.548 25848 3308 1 9 . 1 1 47 47 GLN C C 47 177.118 177.118 176.791 0.327 25848 3309 1 9 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.939 -0.384 25848 3310 1 9 . 1 1 47 47 GLN H H 47 8.623 8.623 8.765 -0.142 25848 3311 1 9 . 1 1 48 48 CYS N N 48 115.456 115.456 120.403 -4.947 25848 3312 1 9 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.670 0.086 25848 3313 1 9 . 1 1 48 48 CYS C C 48 173.978 173.978 175.443 -1.465 25848 3314 1 9 . 1 1 48 48 CYS CB C 48 43.989 43.989 28.894 15.095 25848 3315 1 9 . 1 1 48 48 CYS H H 48 8.365 8.365 8.449 -0.084 25848 3316 1 9 . 1 1 49 49 ASP N N 49 123.208 123.208 124.439 -1.231 25848 3317 1 9 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.433 0.015 25848 3318 1 9 . 1 1 49 49 ASP C C 49 177.773 177.773 177.490 0.283 25848 3319 1 9 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.190 0.798 25848 3320 1 9 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.841 0.239 25848 3321 1 9 . 1 1 49 49 ASP H H 49 7.839 7.839 7.546 0.293 25848 3322 1 9 . 1 1 50 50 GLY N N 50 115.583 115.583 115.448 0.135 25848 3323 1 9 . 1 1 50 50 GLY C C 50 173.522 173.522 175.212 -1.690 25848 3324 1 9 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.750 0.534 25848 3325 1 9 . 1 1 50 50 GLY H H 50 9.371 9.371 8.911 0.460 25848 3326 1 9 . 1 1 51 51 ARG N N 51 122.794 122.794 122.382 0.412 25848 3327 1 9 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.639 0.019 25848 3328 1 9 . 1 1 51 51 ARG C C 51 176.977 176.977 176.831 0.146 25848 3329 1 9 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.381 0.371 25848 3330 1 9 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.456 1.627 25848 3331 1 9 . 1 1 51 51 ARG H H 51 8.199 8.199 8.046 0.153 25848 3332 1 9 . 1 1 52 52 GLU N N 52 117.957 117.957 118.242 -0.285 25848 3333 1 9 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.129 -0.055 25848 3334 1 9 . 1 1 52 52 GLU C C 52 178.254 178.254 176.400 1.854 25848 3335 1 9 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.489 2.741 25848 3336 1 9 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.056 -0.248 25848 3337 1 9 . 1 1 52 52 GLU H H 52 8.992 8.992 8.622 0.370 25848 3338 1 9 . 1 1 53 53 ARG N N 53 116.423 116.423 116.865 -0.442 25848 3339 1 9 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.559 0.005 25848 3340 1 9 . 1 1 53 53 ARG C C 53 177.327 177.327 175.268 2.059 25848 3341 1 9 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.957 -0.477 25848 3342 1 9 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.168 -0.903 25848 3343 1 9 . 1 1 53 53 ARG H H 53 8.513 8.513 7.907 0.606 25848 3344 1 9 . 1 1 54 54 ASP N N 54 118.043 118.043 120.259 -2.216 25848 3345 1 9 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.812 0.003 25848 3346 1 9 . 1 1 54 54 ASP C C 54 176.941 176.941 175.182 1.759 25848 3347 1 9 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.317 -2.570 25848 3348 1 9 . 1 1 54 54 ASP H H 54 7.933 7.933 7.889 0.044 25848 3349 1 9 . 1 1 55 55 CYS N N 55 118.999 118.999 118.314 0.685 25848 3350 1 9 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.169 0.808 25848 3351 1 9 . 1 1 55 55 CYS C C 55 175.757 175.757 175.410 0.347 25848 3352 1 9 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.980 -4.991 25848 3353 1 9 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.259 11.175 25848 3354 1 9 . 1 1 55 55 CYS H H 55 8.222 8.222 7.606 0.616 25848 3355 1 9 . 1 1 56 56 CYS N N 56 121.139 121.139 120.166 0.973 25848 3356 1 9 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.311 0.023 25848 3357 1 9 . 1 1 56 56 CYS C C 56 171.957 171.957 175.572 -3.615 25848 3358 1 9 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.836 -5.345 25848 3359 1 9 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.364 12.649 25848 3360 1 9 . 1 1 56 56 CYS H H 56 8.999 8.999 8.108 0.891 25848 3361 1 9 . 1 1 57 57 ALA N N 57 120.553 120.553 124.690 -4.137 25848 3362 1 9 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.115 -0.042 25848 3363 1 9 . 1 1 57 57 ALA C C 57 178.248 178.248 178.246 0.002 25848 3364 1 9 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.221 0.543 25848 3365 1 9 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.316 0.081 25848 3366 1 9 . 1 1 57 57 ALA H H 57 8.084 8.084 8.549 -0.465 25848 3367 1 9 . 1 1 58 58 GLY N N 58 110.247 110.247 111.673 -1.426 25848 3368 1 9 . 1 1 58 58 GLY C C 58 173.204 173.204 173.842 -0.638 25848 3369 1 9 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.737 0.021 25848 3370 1 9 . 1 1 58 58 GLY H H 58 8.713 8.713 8.577 0.136 25848 3371 1 9 . 1 1 59 59 LEU N N 59 120.155 120.155 121.453 -1.298 25848 3372 1 9 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.581 0.385 25848 3373 1 9 . 1 1 59 59 LEU C C 59 175.349 175.349 175.992 -0.643 25848 3374 1 9 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.638 -2.193 25848 3375 1 9 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.528 0.956 25848 3376 1 9 . 1 1 59 59 LEU H H 59 7.901 7.901 7.371 0.530 25848 3377 1 9 . 1 1 60 60 GLU N N 60 117.726 117.726 114.526 3.200 25848 3378 1 9 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.501 0.178 25848 3379 1 9 . 1 1 60 60 GLU C C 60 174.016 174.016 174.581 -0.565 25848 3380 1 9 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.228 0.367 25848 3381 1 9 . 1 1 60 60 GLU H H 60 9.145 9.145 8.152 0.993 25848 3382 1 9 . 1 1 61 61 CYS N N 61 122.299 122.299 122.272 0.027 25848 3383 1 9 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.467 0.379 25848 3384 1 9 . 1 1 61 61 CYS C C 61 173.374 173.374 174.855 -1.481 25848 3385 1 9 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.457 14.017 25848 3386 1 9 . 1 1 61 61 CYS H H 61 9.064 9.064 8.955 0.109 25848 3387 1 9 . 1 1 62 62 TRP N N 62 135.668 135.668 130.990 4.678 25848 3388 1 9 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.610 0.288 25848 3389 1 9 . 1 1 62 62 TRP C C 62 174.430 174.430 174.805 -0.375 25848 3390 1 9 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.081 1.385 25848 3391 1 9 . 1 1 62 62 TRP CB C 62 30.985 30.985 31.041 -0.056 25848 3392 1 9 . 1 1 62 62 TRP H H 62 9.434 9.434 8.592 0.842 25848 3393 1 9 . 1 1 63 63 LYS N N 63 128.624 128.624 128.045 0.579 25848 3394 1 9 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.355 -0.008 25848 3395 1 9 . 1 1 63 63 LYS C C 63 175.409 175.409 175.545 -0.136 25848 3396 1 9 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.142 0.479 25848 3397 1 9 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.405 0.113 25848 3398 1 9 . 1 1 63 63 LYS H H 63 8.392 8.392 8.586 -0.194 25848 3399 1 9 . 1 1 64 64 ARG N N 64 125.507 125.507 124.544 0.963 25848 3400 1 9 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.298 -0.363 25848 3401 1 9 . 1 1 64 64 ARG C C 64 175.704 175.704 174.698 1.006 25848 3402 1 9 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.487 0.367 25848 3403 1 9 . 1 1 64 64 ARG CB C 64 32.496 32.496 31.930 0.566 25848 3404 1 9 . 1 1 64 64 ARG H H 64 7.877 7.877 8.019 -0.142 25848 3405 1 9 . 1 1 65 65 SER N N 65 115.709 115.709 117.639 -1.930 25848 3406 1 9 . 1 1 65 65 SER HA H 65 4.306 4.306 4.737 -0.431 25848 3407 1 9 . 1 1 65 65 SER C C 65 175.289 175.289 175.010 0.279 25848 3408 1 9 . 1 1 65 65 SER CA C 65 58.778 58.778 57.598 1.180 25848 3409 1 9 . 1 1 65 65 SER CB C 65 63.667 63.667 64.486 -0.819 25848 3410 1 9 . 1 1 65 65 SER H H 65 8.198 8.198 8.325 -0.127 25848 3411 1 9 . 1 1 66 66 GLY N N 66 110.671 110.671 114.230 -3.559 25848 3412 1 9 . 1 1 66 66 GLY C C 66 174.634 174.634 174.929 -0.295 25848 3413 1 9 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.032 1.048 25848 3414 1 9 . 1 1 66 66 GLY H H 66 8.675 8.675 8.563 0.112 25848 3415 1 9 . 1 1 67 67 ASN N N 67 118.608 118.608 117.969 0.639 25848 3416 1 9 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.843 -0.181 25848 3417 1 9 . 1 1 67 67 ASN C C 67 175.108 175.108 175.700 -0.592 25848 3418 1 9 . 1 1 67 67 ASN CA C 67 52.755 52.755 53.871 -1.116 25848 3419 1 9 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.839 -1.339 25848 3420 1 9 . 1 1 67 67 ASN H H 67 8.374 8.374 8.363 0.011 25848 3421 1 9 . 1 1 68 68 LYS N N 68 119.218 119.218 119.051 0.167 25848 3422 1 9 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.462 -0.132 25848 3423 1 9 . 1 1 68 68 LYS C C 68 176.405 176.405 175.303 1.102 25848 3424 1 9 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.390 1.017 25848 3425 1 9 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.546 -0.639 25848 3426 1 9 . 1 1 68 68 LYS H H 68 7.816 7.816 7.742 0.074 25848 3427 1 9 . 1 1 69 69 SER N N 69 115.165 115.165 115.466 -0.301 25848 3428 1 9 . 1 1 69 69 SER HA H 69 4.615 4.615 4.381 0.234 25848 3429 1 9 . 1 1 69 69 SER C C 69 174.381 174.381 174.797 -0.416 25848 3430 1 9 . 1 1 69 69 SER CA C 69 57.773 57.773 58.907 -1.134 25848 3431 1 9 . 1 1 69 69 SER CB C 69 64.533 64.533 63.905 0.628 25848 3432 1 9 . 1 1 69 69 SER H H 69 8.176 8.176 8.387 -0.211 25848 3433 1 9 . 1 1 70 70 SER N N 70 121.583 121.583 116.899 4.684 25848 3434 1 9 . 1 1 70 70 SER HA H 70 5.011 5.011 4.361 0.650 25848 3435 1 9 . 1 1 70 70 SER C C 70 175.256 175.256 174.301 0.955 25848 3436 1 9 . 1 1 70 70 SER CA C 70 58.455 58.455 59.347 -0.892 25848 3437 1 9 . 1 1 70 70 SER CB C 70 63.987 63.987 63.508 0.479 25848 3438 1 9 . 1 1 70 70 SER H H 70 9.539 9.539 8.421 1.118 25848 3439 1 9 . 1 1 71 71 VAL N N 71 115.977 115.977 119.103 -3.126 25848 3440 1 9 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.877 0.461 25848 3441 1 9 . 1 1 71 71 VAL C C 71 176.220 176.220 175.025 1.195 25848 3442 1 9 . 1 1 71 71 VAL CA C 71 58.655 58.655 59.518 -0.863 25848 3443 1 9 . 1 1 71 71 VAL CB C 71 37.422 37.422 35.071 2.351 25848 3444 1 9 . 1 1 71 71 VAL H H 71 8.502 8.502 7.828 0.674 25848 3445 1 9 . 1 1 72 72 CYS N N 72 120.794 120.794 118.864 1.930 25848 3446 1 9 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.552 -0.527 25848 3447 1 9 . 1 1 72 72 CYS C C 72 174.142 174.142 174.641 -0.499 25848 3448 1 9 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.965 -3.500 25848 3449 1 9 . 1 1 72 72 CYS CB C 72 38.458 38.458 28.925 9.533 25848 3450 1 9 . 1 1 72 72 CYS H H 72 8.557 8.557 8.072 0.485 25848 3451 1 9 . 1 1 73 73 ALA N N 73 130.318 130.318 125.695 4.623 25848 3452 1 9 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.780 -0.320 25848 3453 1 9 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.513 0.084 25848 3454 1 9 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.279 1.255 25848 3455 1 9 . 1 1 73 73 ALA H H 73 9.629 9.629 8.763 0.866 25848 3456 1 9 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.532 -0.032 25848 3457 1 9 . 1 1 74 74 PRO C C 74 176.504 176.504 177.054 -0.550 25848 3458 1 9 . 1 1 74 74 PRO CA C 74 63.219 63.219 62.270 0.949 25848 3459 1 9 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.471 -0.569 25848 3460 1 9 . 1 1 75 75 ILE N N 75 122.019 122.019 114.034 7.985 25848 3461 1 9 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.258 -0.314 25848 3462 1 9 . 1 1 75 75 ILE C C 75 175.793 175.793 175.990 -0.197 25848 3463 1 9 . 1 1 75 75 ILE CA C 75 62.346 62.346 62.182 0.164 25848 3464 1 9 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.927 1.042 25848 3465 1 9 . 1 1 75 75 ILE H H 75 7.769 7.769 7.750 0.019 25848 3466 1 10 . 1 1 2 2 ASN HA H 2 4.711 4.711 5.101 -0.390 25848 3467 1 10 . 1 1 2 2 ASN C C 2 174.785 174.785 174.560 0.225 25848 3468 1 10 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.340 -0.520 25848 3469 1 10 . 1 1 3 3 GLU N N 3 121.744 121.744 120.719 1.025 25848 3470 1 10 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.360 -0.012 25848 3471 1 10 . 1 1 3 3 GLU C C 3 176.060 176.060 175.823 0.237 25848 3472 1 10 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.442 -0.175 25848 3473 1 10 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.683 -0.496 25848 3474 1 10 . 1 1 3 3 GLU H H 3 8.470 8.470 8.542 -0.072 25848 3475 1 10 . 1 1 4 4 CYS N N 4 119.765 119.765 116.543 3.222 25848 3476 1 10 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.834 -0.037 25848 3477 1 10 . 1 1 4 4 CYS C C 4 173.263 173.263 174.557 -1.294 25848 3478 1 10 . 1 1 4 4 CYS CB C 4 42.301 42.301 30.304 11.997 25848 3479 1 10 . 1 1 4 4 CYS H H 4 8.317 8.317 8.253 0.064 25848 3480 1 10 . 1 1 5 5 ILE N N 5 122.940 122.940 122.533 0.407 25848 3481 1 10 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.098 -0.210 25848 3482 1 10 . 1 1 5 5 ILE C C 5 173.890 173.890 175.767 -1.877 25848 3483 1 10 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.960 0.556 25848 3484 1 10 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.895 0.385 25848 3485 1 10 . 1 1 5 5 ILE H H 5 8.912 8.912 8.379 0.533 25848 3486 1 10 . 1 1 6 6 ARG N N 6 125.981 125.981 125.680 0.301 25848 3487 1 10 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.270 -0.408 25848 3488 1 10 . 1 1 6 6 ARG C C 6 174.259 174.259 175.927 -1.668 25848 3489 1 10 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.023 -0.005 25848 3490 1 10 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.639 1.138 25848 3491 1 10 . 1 1 6 6 ARG H H 6 7.528 7.528 8.276 -0.748 25848 3492 1 10 . 1 1 7 7 LYS N N 7 116.267 116.267 123.653 -7.386 25848 3493 1 10 . 1 1 7 7 LYS HA H 7 3.286 3.286 4.032 -0.746 25848 3494 1 10 . 1 1 7 7 LYS C C 7 175.417 175.417 176.631 -1.214 25848 3495 1 10 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.262 1.061 25848 3496 1 10 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.823 -0.152 25848 3497 1 10 . 1 1 7 7 LYS H H 7 7.558 7.558 8.354 -0.796 25848 3498 1 10 . 1 1 8 8 TRP N N 8 115.300 115.300 122.183 -6.883 25848 3499 1 10 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.381 -0.121 25848 3500 1 10 . 1 1 8 8 TRP C C 8 175.069 175.069 175.094 -0.025 25848 3501 1 10 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.642 -0.634 25848 3502 1 10 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.543 1.144 25848 3503 1 10 . 1 1 8 8 TRP H H 8 9.357 9.357 8.481 0.876 25848 3504 1 10 . 1 1 9 9 LEU N N 9 120.240 120.240 118.603 1.637 25848 3505 1 10 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.832 -0.135 25848 3506 1 10 . 1 1 9 9 LEU C C 9 176.636 176.636 175.942 0.694 25848 3507 1 10 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.749 -2.501 25848 3508 1 10 . 1 1 9 9 LEU H H 9 7.701 7.701 7.893 -0.192 25848 3509 1 10 . 1 1 10 10 SER N N 10 110.077 110.077 111.945 -1.868 25848 3510 1 10 . 1 1 10 10 SER HA H 10 4.704 4.704 4.983 -0.279 25848 3511 1 10 . 1 1 10 10 SER CB C 10 64.064 64.064 63.525 0.539 25848 3512 1 10 . 1 1 10 10 SER H H 10 8.148 8.148 8.155 -0.007 25848 3513 1 10 . 1 1 11 11 CYS N N 11 121.141 121.141 121.977 -0.836 25848 3514 1 10 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.912 -0.042 25848 3515 1 10 . 1 1 11 11 CYS CB C 11 44.031 44.031 28.365 15.666 25848 3516 1 10 . 1 1 11 11 CYS H H 11 8.580 8.580 9.158 -0.578 25848 3517 1 10 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.726 -0.161 25848 3518 1 10 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.047 0.150 25848 3519 1 10 . 1 1 12 12 VAL H H 12 7.776 7.776 7.389 0.387 25848 3520 1 10 . 1 1 15 15 LYS N N 15 117.195 117.195 123.260 -6.065 25848 3521 1 10 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.047 0.312 25848 3522 1 10 . 1 1 15 15 LYS C C 15 177.505 177.505 177.236 0.269 25848 3523 1 10 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.839 0.603 25848 3524 1 10 . 1 1 15 15 LYS CB C 15 32.571 32.571 31.776 0.795 25848 3525 1 10 . 1 1 15 15 LYS H H 15 7.936 7.936 8.277 -0.341 25848 3526 1 10 . 1 1 16 16 ASN N N 16 115.005 115.005 116.502 -1.497 25848 3527 1 10 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.668 0.407 25848 3528 1 10 . 1 1 16 16 ASN C C 16 176.707 176.707 175.295 1.412 25848 3529 1 10 . 1 1 16 16 ASN CA C 16 53.010 53.010 55.014 -2.004 25848 3530 1 10 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.313 0.856 25848 3531 1 10 . 1 1 16 16 ASN H H 16 8.644 8.644 8.479 0.165 25848 3532 1 10 . 1 1 17 17 ASP N N 17 118.040 118.040 119.521 -1.481 25848 3533 1 10 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.948 -0.085 25848 3534 1 10 . 1 1 17 17 ASP C C 17 176.756 176.756 175.808 0.948 25848 3535 1 10 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.528 0.482 25848 3536 1 10 . 1 1 17 17 ASP H H 17 7.592 7.592 8.077 -0.485 25848 3537 1 10 . 1 1 18 18 CYS N N 18 119.499 119.499 117.529 1.970 25848 3538 1 10 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.229 0.671 25848 3539 1 10 . 1 1 18 18 CYS C C 18 176.186 176.186 174.441 1.745 25848 3540 1 10 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.558 11.329 25848 3541 1 10 . 1 1 18 18 CYS H H 18 8.729 8.729 7.612 1.117 25848 3542 1 10 . 1 1 19 19 CYS N N 19 120.655 120.655 112.877 7.778 25848 3543 1 10 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.410 0.005 25848 3544 1 10 . 1 1 19 19 CYS C C 19 171.719 171.719 172.774 -1.055 25848 3545 1 10 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.040 -3.471 25848 3546 1 10 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.441 11.476 25848 3547 1 10 . 1 1 19 19 CYS H H 19 9.086 9.086 8.123 0.963 25848 3548 1 10 . 1 1 20 20 GLU N N 20 118.445 118.445 122.640 -4.195 25848 3549 1 10 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.281 -0.350 25848 3550 1 10 . 1 1 20 20 GLU C C 20 176.509 176.509 176.710 -0.201 25848 3551 1 10 . 1 1 20 20 GLU CA C 20 57.820 57.820 57.127 0.693 25848 3552 1 10 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.406 0.497 25848 3553 1 10 . 1 1 20 20 GLU H H 20 8.155 8.155 8.721 -0.566 25848 3554 1 10 . 1 1 21 21 GLY N N 21 113.662 113.662 112.792 0.870 25848 3555 1 10 . 1 1 21 21 GLY C C 21 172.614 172.614 172.565 0.049 25848 3556 1 10 . 1 1 21 21 GLY CA C 21 43.531 43.531 43.973 -0.442 25848 3557 1 10 . 1 1 21 21 GLY H H 21 8.719 8.719 8.679 0.040 25848 3558 1 10 . 1 1 22 22 LEU N N 22 120.372 120.372 118.541 1.831 25848 3559 1 10 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.195 -0.114 25848 3560 1 10 . 1 1 22 22 LEU C C 22 174.927 174.927 176.043 -1.116 25848 3561 1 10 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.032 -0.582 25848 3562 1 10 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.735 -1.224 25848 3563 1 10 . 1 1 22 22 LEU H H 22 7.641 7.641 7.161 0.480 25848 3564 1 10 . 1 1 23 23 GLU N N 23 117.193 117.193 118.642 -1.449 25848 3565 1 10 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.626 0.082 25848 3566 1 10 . 1 1 23 23 GLU C C 23 173.821 173.821 174.476 -0.655 25848 3567 1 10 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.852 -1.520 25848 3568 1 10 . 1 1 23 23 GLU CB C 23 32.486 32.486 34.695 -2.209 25848 3569 1 10 . 1 1 23 23 GLU H H 23 9.299 9.299 8.641 0.658 25848 3570 1 10 . 1 1 24 24 CYS N N 24 123.260 123.260 120.183 3.077 25848 3571 1 10 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.517 0.284 25848 3572 1 10 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.847 13.448 25848 3573 1 10 . 1 1 24 24 CYS H H 24 8.953 8.953 8.457 0.496 25848 3574 1 10 . 1 1 25 25 TYR N N 25 134.523 134.523 129.389 5.134 25848 3575 1 10 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.657 0.156 25848 3576 1 10 . 1 1 25 25 TYR C C 25 173.768 173.768 174.061 -0.293 25848 3577 1 10 . 1 1 25 25 TYR CB C 25 43.346 43.346 42.027 1.319 25848 3578 1 10 . 1 1 25 25 TYR H H 25 9.338 9.338 8.505 0.833 25848 3579 1 10 . 1 1 26 26 LYS N N 26 127.496 127.496 123.361 4.135 25848 3580 1 10 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.659 -0.563 25848 3581 1 10 . 1 1 26 26 LYS C C 26 174.360 174.360 175.252 -0.892 25848 3582 1 10 . 1 1 26 26 LYS CA C 26 55.938 55.938 54.815 1.123 25848 3583 1 10 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.828 -1.161 25848 3584 1 10 . 1 1 26 26 LYS H H 26 8.176 8.176 7.732 0.444 25848 3585 1 10 . 1 1 27 27 ARG N N 27 125.899 125.899 121.196 4.703 25848 3586 1 10 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.468 -0.243 25848 3587 1 10 . 1 1 27 27 ARG C C 27 174.385 174.385 176.070 -1.685 25848 3588 1 10 . 1 1 27 27 ARG CA C 27 55.989 55.989 54.602 1.387 25848 3589 1 10 . 1 1 27 27 ARG CB C 27 32.009 32.009 31.669 0.340 25848 3590 1 10 . 1 1 27 27 ARG H H 27 7.493 7.493 8.329 -0.836 25848 3591 1 10 . 1 1 28 28 ARG N N 28 121.214 121.214 120.781 0.433 25848 3592 1 10 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.216 -0.304 25848 3593 1 10 . 1 1 28 28 ARG C C 28 176.613 176.613 177.328 -0.715 25848 3594 1 10 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.856 -0.242 25848 3595 1 10 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.496 -0.821 25848 3596 1 10 . 1 1 28 28 ARG H H 28 8.519 8.519 8.539 -0.020 25848 3597 1 10 . 1 1 29 29 HIS N N 29 116.413 116.413 116.944 -0.531 25848 3598 1 10 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.813 -0.333 25848 3599 1 10 . 1 1 29 29 HIS C C 29 174.166 174.166 174.062 0.104 25848 3600 1 10 . 1 1 29 29 HIS CA C 29 56.020 56.020 55.614 0.407 25848 3601 1 10 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.270 -2.136 25848 3602 1 10 . 1 1 29 29 HIS H H 29 8.771 8.771 8.270 0.501 25848 3603 1 10 . 1 1 30 30 SER N N 30 113.403 113.403 115.272 -1.869 25848 3604 1 10 . 1 1 30 30 SER HA H 30 4.469 4.469 4.660 -0.191 25848 3605 1 10 . 1 1 30 30 SER C C 30 173.332 173.332 173.514 -0.182 25848 3606 1 10 . 1 1 30 30 SER CA C 30 57.257 57.257 57.294 -0.037 25848 3607 1 10 . 1 1 30 30 SER CB C 30 63.559 63.559 64.533 -0.974 25848 3608 1 10 . 1 1 30 30 SER H H 30 7.826 7.826 7.946 -0.120 25848 3609 1 10 . 1 1 31 31 PHE N N 31 118.662 118.662 119.689 -1.027 25848 3610 1 10 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.717 0.076 25848 3611 1 10 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.900 0.412 25848 3612 1 10 . 1 1 31 31 PHE H H 31 7.801 7.801 7.761 0.040 25848 3613 1 10 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.526 0.084 25848 3614 1 10 . 1 1 32 32 GLU CB C 32 30.289 30.289 30.062 0.227 25848 3615 1 10 . 1 1 33 33 VAL N N 33 121.027 121.027 117.195 3.832 25848 3616 1 10 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.701 0.400 25848 3617 1 10 . 1 1 33 33 VAL C C 33 175.754 175.754 174.452 1.302 25848 3618 1 10 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.480 -0.935 25848 3619 1 10 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.616 1.848 25848 3620 1 10 . 1 1 33 33 VAL H H 33 8.581 8.581 7.923 0.658 25848 3621 1 10 . 1 1 34 34 CYS N N 34 119.365 119.365 120.973 -1.608 25848 3622 1 10 . 1 1 34 34 CYS HA H 34 5.064 5.064 5.017 0.047 25848 3623 1 10 . 1 1 34 34 CYS C C 34 174.853 174.853 175.059 -0.206 25848 3624 1 10 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.959 -5.264 25848 3625 1 10 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.693 14.281 25848 3626 1 10 . 1 1 34 34 CYS H H 34 7.968 7.968 8.795 -0.827 25848 3627 1 10 . 1 1 35 35 VAL N N 35 122.141 122.141 117.717 4.424 25848 3628 1 10 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.013 0.455 25848 3629 1 10 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.730 0.300 25848 3630 1 10 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.543 -0.327 25848 3631 1 10 . 1 1 35 35 VAL H H 35 9.611 9.611 8.962 0.649 25848 3632 1 10 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.686 -0.288 25848 3633 1 10 . 1 1 36 36 PRO C C 36 176.509 176.509 176.732 -0.223 25848 3634 1 10 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.114 1.206 25848 3635 1 10 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.911 0.201 25848 3636 1 10 . 1 1 37 37 ILE N N 37 125.294 125.294 126.397 -1.103 25848 3637 1 10 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.406 -0.275 25848 3638 1 10 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.285 0.506 25848 3639 1 10 . 1 1 37 37 ILE CB C 37 39.566 39.566 37.946 1.620 25848 3640 1 10 . 1 1 37 37 ILE H H 37 7.927 7.927 8.014 -0.087 25848 3641 1 10 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.546 -0.209 25848 3642 1 10 . 1 1 38 38 PRO C C 38 177.800 177.800 177.550 0.250 25848 3643 1 10 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.594 0.500 25848 3644 1 10 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.962 -0.231 25848 3645 1 10 . 1 1 39 39 GLY N N 39 112.745 112.745 112.424 0.321 25848 3646 1 10 . 1 1 39 39 GLY C C 39 174.463 174.463 174.825 -0.362 25848 3647 1 10 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.205 0.258 25848 3648 1 10 . 1 1 39 39 GLY H H 39 8.843 8.843 8.496 0.347 25848 3649 1 10 . 1 1 40 40 PHE N N 40 120.803 120.803 119.975 0.828 25848 3650 1 10 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.493 -0.172 25848 3651 1 10 . 1 1 40 40 PHE C C 40 174.706 174.706 175.036 -0.330 25848 3652 1 10 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.245 0.423 25848 3653 1 10 . 1 1 40 40 PHE CB C 40 39.815 39.815 39.951 -0.136 25848 3654 1 10 . 1 1 40 40 PHE H H 40 7.762 7.762 7.565 0.197 25848 3655 1 10 . 1 1 41 41 CYS N N 41 120.807 120.807 122.031 -1.224 25848 3656 1 10 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.468 0.106 25848 3657 1 10 . 1 1 41 41 CYS C C 41 171.732 171.732 171.775 -0.043 25848 3658 1 10 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.299 -1.633 25848 3659 1 10 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.523 13.586 25848 3660 1 10 . 1 1 41 41 CYS H H 41 7.040 7.040 7.374 -0.334 25848 3661 1 10 . 1 1 42 42 LEU N N 42 119.987 119.987 119.567 0.420 25848 3662 1 10 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.874 -0.602 25848 3663 1 10 . 1 1 42 42 LEU C C 42 173.872 173.872 176.244 -2.372 25848 3664 1 10 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.538 0.465 25848 3665 1 10 . 1 1 42 42 LEU CB C 42 43.826 43.826 45.023 -1.196 25848 3666 1 10 . 1 1 42 42 LEU H H 42 8.728 8.728 8.200 0.528 25848 3667 1 10 . 1 1 43 43 VAL N N 43 115.632 115.632 115.598 0.034 25848 3668 1 10 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.397 -0.589 25848 3669 1 10 . 1 1 43 43 VAL C C 43 173.751 173.751 175.816 -2.065 25848 3670 1 10 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.493 -0.235 25848 3671 1 10 . 1 1 43 43 VAL CB C 43 32.857 32.857 33.922 -1.065 25848 3672 1 10 . 1 1 43 43 VAL H H 43 7.192 7.192 8.071 -0.879 25848 3673 1 10 . 1 1 44 44 LYS N N 44 117.023 117.023 115.702 1.321 25848 3674 1 10 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.067 -0.837 25848 3675 1 10 . 1 1 44 44 LYS C C 44 176.385 176.385 175.031 1.354 25848 3676 1 10 . 1 1 44 44 LYS CA C 44 58.773 58.773 57.560 1.213 25848 3677 1 10 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.680 0.351 25848 3678 1 10 . 1 1 44 44 LYS H H 44 7.531 7.531 8.468 -0.937 25848 3679 1 10 . 1 1 45 45 TRP N N 45 117.377 117.377 117.738 -0.361 25848 3680 1 10 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.801 -0.354 25848 3681 1 10 . 1 1 45 45 TRP C C 45 175.675 175.675 175.597 0.078 25848 3682 1 10 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.121 1.900 25848 3683 1 10 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.225 -2.230 25848 3684 1 10 . 1 1 45 45 TRP H H 45 9.364 9.364 7.491 1.873 25848 3685 1 10 . 1 1 46 46 LYS N N 46 119.913 119.913 119.791 0.122 25848 3686 1 10 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.764 -0.374 25848 3687 1 10 . 1 1 46 46 LYS C C 46 176.776 176.776 175.781 0.995 25848 3688 1 10 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.706 0.455 25848 3689 1 10 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.262 -1.596 25848 3690 1 10 . 1 1 46 46 LYS H H 46 7.985 7.985 7.463 0.522 25848 3691 1 10 . 1 1 47 47 GLN N N 47 121.031 121.031 120.059 0.972 25848 3692 1 10 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.399 0.480 25848 3693 1 10 . 1 1 47 47 GLN C C 47 177.118 177.118 176.812 0.306 25848 3694 1 10 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.986 -0.431 25848 3695 1 10 . 1 1 47 47 GLN H H 47 8.623 8.623 8.730 -0.107 25848 3696 1 10 . 1 1 48 48 CYS N N 48 115.456 115.456 120.935 -5.479 25848 3697 1 10 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.661 0.095 25848 3698 1 10 . 1 1 48 48 CYS C C 48 173.978 173.978 175.505 -1.527 25848 3699 1 10 . 1 1 48 48 CYS CB C 48 43.989 43.989 28.747 15.242 25848 3700 1 10 . 1 1 48 48 CYS H H 48 8.365 8.365 8.446 -0.081 25848 3701 1 10 . 1 1 49 49 ASP N N 49 123.208 123.208 122.854 0.354 25848 3702 1 10 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.355 0.093 25848 3703 1 10 . 1 1 49 49 ASP C C 49 177.773 177.773 177.635 0.138 25848 3704 1 10 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.712 0.276 25848 3705 1 10 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.722 0.358 25848 3706 1 10 . 1 1 49 49 ASP H H 49 7.839 7.839 7.638 0.201 25848 3707 1 10 . 1 1 50 50 GLY N N 50 115.583 115.583 115.511 0.072 25848 3708 1 10 . 1 1 50 50 GLY C C 50 173.522 173.522 175.157 -1.635 25848 3709 1 10 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.657 0.627 25848 3710 1 10 . 1 1 50 50 GLY H H 50 9.371 9.371 9.009 0.362 25848 3711 1 10 . 1 1 51 51 ARG N N 51 122.794 122.794 122.187 0.607 25848 3712 1 10 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.613 0.045 25848 3713 1 10 . 1 1 51 51 ARG C C 51 176.977 176.977 176.848 0.129 25848 3714 1 10 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.655 0.097 25848 3715 1 10 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.867 1.216 25848 3716 1 10 . 1 1 51 51 ARG H H 51 8.199 8.199 7.981 0.218 25848 3717 1 10 . 1 1 52 52 GLU N N 52 117.957 117.957 118.923 -0.966 25848 3718 1 10 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.096 -0.022 25848 3719 1 10 . 1 1 52 52 GLU C C 52 178.254 178.254 176.488 1.766 25848 3720 1 10 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.587 2.643 25848 3721 1 10 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.267 -0.459 25848 3722 1 10 . 1 1 52 52 GLU H H 52 8.992 8.992 8.683 0.309 25848 3723 1 10 . 1 1 53 53 ARG N N 53 116.423 116.423 116.682 -0.259 25848 3724 1 10 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.559 0.005 25848 3725 1 10 . 1 1 53 53 ARG C C 53 177.327 177.327 175.283 2.044 25848 3726 1 10 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.974 -0.494 25848 3727 1 10 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.227 -0.962 25848 3728 1 10 . 1 1 53 53 ARG H H 53 8.513 8.513 7.923 0.590 25848 3729 1 10 . 1 1 54 54 ASP N N 54 118.043 118.043 120.291 -2.248 25848 3730 1 10 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.812 0.003 25848 3731 1 10 . 1 1 54 54 ASP C C 54 176.941 176.941 175.328 1.613 25848 3732 1 10 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.496 -2.749 25848 3733 1 10 . 1 1 54 54 ASP H H 54 7.933 7.933 8.024 -0.091 25848 3734 1 10 . 1 1 55 55 CYS N N 55 118.999 118.999 118.267 0.732 25848 3735 1 10 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.165 0.812 25848 3736 1 10 . 1 1 55 55 CYS C C 55 175.757 175.757 175.420 0.337 25848 3737 1 10 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.958 -4.969 25848 3738 1 10 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.290 11.144 25848 3739 1 10 . 1 1 55 55 CYS H H 55 8.222 8.222 7.563 0.659 25848 3740 1 10 . 1 1 56 56 CYS N N 56 121.139 121.139 119.965 1.174 25848 3741 1 10 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.307 0.027 25848 3742 1 10 . 1 1 56 56 CYS C C 56 171.957 171.957 175.564 -3.607 25848 3743 1 10 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.858 -5.367 25848 3744 1 10 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.311 12.701 25848 3745 1 10 . 1 1 56 56 CYS H H 56 8.999 8.999 8.099 0.900 25848 3746 1 10 . 1 1 57 57 ALA N N 57 120.553 120.553 124.602 -4.049 25848 3747 1 10 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.128 -0.055 25848 3748 1 10 . 1 1 57 57 ALA C C 57 178.248 178.248 178.240 0.008 25848 3749 1 10 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.185 0.579 25848 3750 1 10 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.349 0.048 25848 3751 1 10 . 1 1 57 57 ALA H H 57 8.084 8.084 8.548 -0.464 25848 3752 1 10 . 1 1 58 58 GLY N N 58 110.247 110.247 111.648 -1.401 25848 3753 1 10 . 1 1 58 58 GLY C C 58 173.204 173.204 173.836 -0.632 25848 3754 1 10 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.741 0.017 25848 3755 1 10 . 1 1 58 58 GLY H H 58 8.713 8.713 8.583 0.130 25848 3756 1 10 . 1 1 59 59 LEU N N 59 120.155 120.155 121.448 -1.293 25848 3757 1 10 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.565 0.401 25848 3758 1 10 . 1 1 59 59 LEU C C 59 175.349 175.349 176.004 -0.655 25848 3759 1 10 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.675 -2.229 25848 3760 1 10 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.492 0.992 25848 3761 1 10 . 1 1 59 59 LEU H H 59 7.901 7.901 7.343 0.558 25848 3762 1 10 . 1 1 60 60 GLU N N 60 117.726 117.726 114.274 3.452 25848 3763 1 10 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.487 0.192 25848 3764 1 10 . 1 1 60 60 GLU C C 60 174.016 174.016 174.642 -0.626 25848 3765 1 10 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.193 0.402 25848 3766 1 10 . 1 1 60 60 GLU H H 60 9.145 9.145 8.097 1.048 25848 3767 1 10 . 1 1 61 61 CYS N N 61 122.299 122.299 122.628 -0.329 25848 3768 1 10 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.424 0.422 25848 3769 1 10 . 1 1 61 61 CYS C C 61 173.374 173.374 174.860 -1.486 25848 3770 1 10 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.416 14.058 25848 3771 1 10 . 1 1 61 61 CYS H H 61 9.064 9.064 9.014 0.050 25848 3772 1 10 . 1 1 62 62 TRP N N 62 135.668 135.668 130.730 4.938 25848 3773 1 10 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.624 0.274 25848 3774 1 10 . 1 1 62 62 TRP C C 62 174.430 174.430 174.814 -0.384 25848 3775 1 10 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.739 0.727 25848 3776 1 10 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.705 0.280 25848 3777 1 10 . 1 1 62 62 TRP H H 62 9.434 9.434 8.385 1.049 25848 3778 1 10 . 1 1 63 63 LYS N N 63 128.624 128.624 128.141 0.483 25848 3779 1 10 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.353 -0.005 25848 3780 1 10 . 1 1 63 63 LYS C C 63 175.409 175.409 175.629 -0.220 25848 3781 1 10 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.103 0.518 25848 3782 1 10 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.279 0.239 25848 3783 1 10 . 1 1 63 63 LYS H H 63 8.392 8.392 8.596 -0.204 25848 3784 1 10 . 1 1 64 64 ARG N N 64 125.507 125.507 124.697 0.810 25848 3785 1 10 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.308 -0.373 25848 3786 1 10 . 1 1 64 64 ARG C C 64 175.704 175.704 174.485 1.219 25848 3787 1 10 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.347 0.507 25848 3788 1 10 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.375 0.121 25848 3789 1 10 . 1 1 64 64 ARG H H 64 7.877 7.877 8.020 -0.143 25848 3790 1 10 . 1 1 65 65 SER N N 65 115.709 115.709 117.846 -2.137 25848 3791 1 10 . 1 1 65 65 SER HA H 65 4.306 4.306 4.735 -0.429 25848 3792 1 10 . 1 1 65 65 SER C C 65 175.289 175.289 175.236 0.053 25848 3793 1 10 . 1 1 65 65 SER CA C 65 58.778 58.778 57.463 1.315 25848 3794 1 10 . 1 1 65 65 SER CB C 65 63.667 63.667 64.794 -1.127 25848 3795 1 10 . 1 1 65 65 SER H H 65 8.198 8.198 8.231 -0.033 25848 3796 1 10 . 1 1 66 66 GLY N N 66 110.671 110.671 113.123 -2.452 25848 3797 1 10 . 1 1 66 66 GLY C C 66 174.634 174.634 174.861 -0.227 25848 3798 1 10 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.045 1.035 25848 3799 1 10 . 1 1 66 66 GLY H H 66 8.675 8.675 8.553 0.122 25848 3800 1 10 . 1 1 67 67 ASN N N 67 118.608 118.608 118.095 0.513 25848 3801 1 10 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.883 -0.221 25848 3802 1 10 . 1 1 67 67 ASN C C 67 175.108 175.108 175.820 -0.712 25848 3803 1 10 . 1 1 67 67 ASN CA C 67 52.755 52.755 53.909 -1.154 25848 3804 1 10 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.513 -1.013 25848 3805 1 10 . 1 1 67 67 ASN H H 67 8.374 8.374 8.376 -0.002 25848 3806 1 10 . 1 1 68 68 LYS N N 68 119.218 119.218 118.860 0.358 25848 3807 1 10 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.439 -0.109 25848 3808 1 10 . 1 1 68 68 LYS C C 68 176.405 176.405 175.367 1.038 25848 3809 1 10 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.429 0.978 25848 3810 1 10 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.486 -0.579 25848 3811 1 10 . 1 1 68 68 LYS H H 68 7.816 7.816 7.742 0.074 25848 3812 1 10 . 1 1 69 69 SER N N 69 115.165 115.165 115.917 -0.752 25848 3813 1 10 . 1 1 69 69 SER HA H 69 4.615 4.615 4.375 0.240 25848 3814 1 10 . 1 1 69 69 SER C C 69 174.381 174.381 174.363 0.018 25848 3815 1 10 . 1 1 69 69 SER CA C 69 57.773 57.773 58.971 -1.198 25848 3816 1 10 . 1 1 69 69 SER CB C 69 64.533 64.533 63.682 0.851 25848 3817 1 10 . 1 1 69 69 SER H H 69 8.176 8.176 8.363 -0.187 25848 3818 1 10 . 1 1 70 70 SER N N 70 121.583 121.583 116.857 4.726 25848 3819 1 10 . 1 1 70 70 SER HA H 70 5.011 5.011 4.369 0.642 25848 3820 1 10 . 1 1 70 70 SER C C 70 175.256 175.256 174.544 0.712 25848 3821 1 10 . 1 1 70 70 SER CA C 70 58.455 58.455 58.819 -0.364 25848 3822 1 10 . 1 1 70 70 SER CB C 70 63.987 63.987 63.259 0.728 25848 3823 1 10 . 1 1 70 70 SER H H 70 9.539 9.539 8.349 1.190 25848 3824 1 10 . 1 1 71 71 VAL N N 71 115.977 115.977 118.251 -2.274 25848 3825 1 10 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.993 0.345 25848 3826 1 10 . 1 1 71 71 VAL C C 71 176.220 176.220 174.828 1.392 25848 3827 1 10 . 1 1 71 71 VAL CA C 71 58.655 58.655 58.627 0.028 25848 3828 1 10 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.839 2.583 25848 3829 1 10 . 1 1 71 71 VAL H H 71 8.502 8.502 7.881 0.621 25848 3830 1 10 . 1 1 72 72 CYS N N 72 120.794 120.794 118.430 2.364 25848 3831 1 10 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.595 -0.570 25848 3832 1 10 . 1 1 72 72 CYS C C 72 174.142 174.142 174.539 -0.397 25848 3833 1 10 . 1 1 72 72 CYS CA C 72 54.465 54.465 58.011 -3.546 25848 3834 1 10 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.179 9.279 25848 3835 1 10 . 1 1 72 72 CYS H H 72 8.557 8.557 8.159 0.398 25848 3836 1 10 . 1 1 73 73 ALA N N 73 130.318 130.318 125.670 4.648 25848 3837 1 10 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.766 -0.306 25848 3838 1 10 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.500 0.097 25848 3839 1 10 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.318 1.216 25848 3840 1 10 . 1 1 73 73 ALA H H 73 9.629 9.629 8.786 0.843 25848 3841 1 10 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.481 0.019 25848 3842 1 10 . 1 1 74 74 PRO C C 74 176.504 176.504 176.603 -0.099 25848 3843 1 10 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.935 1.284 25848 3844 1 10 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.320 -0.417 25848 3845 1 10 . 1 1 75 75 ILE N N 75 122.019 122.019 114.961 7.058 25848 3846 1 10 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.123 -0.179 25848 3847 1 10 . 1 1 75 75 ILE C C 75 175.793 175.793 176.035 -0.242 25848 3848 1 10 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.638 0.708 25848 3849 1 10 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.750 1.219 25848 3850 1 10 . 1 1 75 75 ILE H H 75 7.769 7.769 8.066 -0.297 25848 3851 1 11 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.892 -0.181 25848 3852 1 11 . 1 1 2 2 ASN C C 2 174.785 174.785 174.135 0.650 25848 3853 1 11 . 1 1 2 2 ASN CB C 2 38.820 38.820 38.572 0.248 25848 3854 1 11 . 1 1 3 3 GLU N N 3 121.744 121.744 119.937 1.807 25848 3855 1 11 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.469 -0.121 25848 3856 1 11 . 1 1 3 3 GLU C C 3 176.060 176.060 176.180 -0.120 25848 3857 1 11 . 1 1 3 3 GLU CA C 3 56.267 56.267 55.978 0.289 25848 3858 1 11 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.443 -0.256 25848 3859 1 11 . 1 1 3 3 GLU H H 3 8.470 8.470 8.405 0.065 25848 3860 1 11 . 1 1 4 4 CYS N N 4 119.765 119.765 115.971 3.794 25848 3861 1 11 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.751 0.046 25848 3862 1 11 . 1 1 4 4 CYS C C 4 173.263 173.263 174.340 -1.077 25848 3863 1 11 . 1 1 4 4 CYS CB C 4 42.301 42.301 30.442 11.859 25848 3864 1 11 . 1 1 4 4 CYS H H 4 8.317 8.317 8.452 -0.135 25848 3865 1 11 . 1 1 5 5 ILE N N 5 122.940 122.940 122.871 0.069 25848 3866 1 11 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.100 -0.212 25848 3867 1 11 . 1 1 5 5 ILE C C 5 173.890 173.890 176.122 -2.232 25848 3868 1 11 . 1 1 5 5 ILE CA C 5 62.516 62.516 62.146 0.370 25848 3869 1 11 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.355 0.925 25848 3870 1 11 . 1 1 5 5 ILE H H 5 8.912 8.912 8.024 0.888 25848 3871 1 11 . 1 1 6 6 ARG N N 6 125.981 125.981 127.605 -1.624 25848 3872 1 11 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.185 -0.323 25848 3873 1 11 . 1 1 6 6 ARG C C 6 174.259 174.259 176.045 -1.786 25848 3874 1 11 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.128 -0.110 25848 3875 1 11 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.601 1.176 25848 3876 1 11 . 1 1 6 6 ARG H H 6 7.528 7.528 8.422 -0.894 25848 3877 1 11 . 1 1 7 7 LYS N N 7 116.267 116.267 123.195 -6.928 25848 3878 1 11 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.952 -0.666 25848 3879 1 11 . 1 1 7 7 LYS C C 7 175.417 175.417 176.871 -1.454 25848 3880 1 11 . 1 1 7 7 LYS CA C 7 58.323 58.323 56.815 1.508 25848 3881 1 11 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.875 -0.204 25848 3882 1 11 . 1 1 7 7 LYS H H 7 7.558 7.558 8.384 -0.826 25848 3883 1 11 . 1 1 8 8 TRP N N 8 115.300 115.300 123.371 -8.071 25848 3884 1 11 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.304 -0.044 25848 3885 1 11 . 1 1 8 8 TRP C C 8 175.069 175.069 175.123 -0.054 25848 3886 1 11 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.063 -0.055 25848 3887 1 11 . 1 1 8 8 TRP CB C 8 27.687 27.687 27.018 0.669 25848 3888 1 11 . 1 1 8 8 TRP H H 8 9.357 9.357 8.436 0.921 25848 3889 1 11 . 1 1 9 9 LEU N N 9 120.240 120.240 120.135 0.105 25848 3890 1 11 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.905 -0.208 25848 3891 1 11 . 1 1 9 9 LEU C C 9 176.636 176.636 175.820 0.816 25848 3892 1 11 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.130 -1.881 25848 3893 1 11 . 1 1 9 9 LEU H H 9 7.701 7.701 7.921 -0.220 25848 3894 1 11 . 1 1 10 10 SER N N 10 110.077 110.077 111.764 -1.687 25848 3895 1 11 . 1 1 10 10 SER HA H 10 4.704 4.704 4.806 -0.102 25848 3896 1 11 . 1 1 10 10 SER CB C 10 64.064 64.064 63.621 0.443 25848 3897 1 11 . 1 1 10 10 SER H H 10 8.148 8.148 8.128 0.020 25848 3898 1 11 . 1 1 11 11 CYS N N 11 121.141 121.141 120.350 0.791 25848 3899 1 11 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.909 -0.039 25848 3900 1 11 . 1 1 11 11 CYS CB C 11 44.031 44.031 28.523 15.508 25848 3901 1 11 . 1 1 11 11 CYS H H 11 8.580 8.580 8.660 -0.080 25848 3902 1 11 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.746 -0.181 25848 3903 1 11 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.697 -0.500 25848 3904 1 11 . 1 1 12 12 VAL H H 12 7.776 7.776 7.894 -0.118 25848 3905 1 11 . 1 1 15 15 LYS N N 15 117.195 117.195 119.289 -2.094 25848 3906 1 11 . 1 1 15 15 LYS HA H 15 4.359 4.359 3.981 0.378 25848 3907 1 11 . 1 1 15 15 LYS C C 15 177.505 177.505 177.699 -0.194 25848 3908 1 11 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.590 0.852 25848 3909 1 11 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.186 0.385 25848 3910 1 11 . 1 1 15 15 LYS H H 15 7.936 7.936 8.491 -0.555 25848 3911 1 11 . 1 1 16 16 ASN N N 16 115.005 115.005 115.373 -0.368 25848 3912 1 11 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.535 0.540 25848 3913 1 11 . 1 1 16 16 ASN C C 16 176.707 176.707 175.430 1.277 25848 3914 1 11 . 1 1 16 16 ASN CA C 16 53.010 53.010 55.013 -2.003 25848 3915 1 11 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.370 0.799 25848 3916 1 11 . 1 1 16 16 ASN H H 16 8.644 8.644 8.571 0.073 25848 3917 1 11 . 1 1 17 17 ASP N N 17 118.040 118.040 118.905 -0.865 25848 3918 1 11 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.790 0.073 25848 3919 1 11 . 1 1 17 17 ASP C C 17 176.756 176.756 175.748 1.008 25848 3920 1 11 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.729 0.281 25848 3921 1 11 . 1 1 17 17 ASP H H 17 7.592 7.592 7.741 -0.149 25848 3922 1 11 . 1 1 18 18 CYS N N 18 119.499 119.499 117.903 1.596 25848 3923 1 11 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.163 0.737 25848 3924 1 11 . 1 1 18 18 CYS C C 18 176.186 176.186 174.608 1.578 25848 3925 1 11 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.423 11.464 25848 3926 1 11 . 1 1 18 18 CYS H H 18 8.729 8.729 7.624 1.105 25848 3927 1 11 . 1 1 19 19 CYS N N 19 120.655 120.655 112.730 7.925 25848 3928 1 11 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.375 0.041 25848 3929 1 11 . 1 1 19 19 CYS C C 19 171.719 171.719 172.846 -1.127 25848 3930 1 11 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.233 -3.664 25848 3931 1 11 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.980 10.937 25848 3932 1 11 . 1 1 19 19 CYS H H 19 9.086 9.086 8.089 0.997 25848 3933 1 11 . 1 1 20 20 GLU N N 20 118.445 118.445 122.725 -4.280 25848 3934 1 11 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.379 -0.448 25848 3935 1 11 . 1 1 20 20 GLU C C 20 176.509 176.509 176.900 -0.391 25848 3936 1 11 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.240 1.580 25848 3937 1 11 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.705 0.198 25848 3938 1 11 . 1 1 20 20 GLU H H 20 8.155 8.155 8.861 -0.706 25848 3939 1 11 . 1 1 21 21 GLY N N 21 113.662 113.662 113.414 0.248 25848 3940 1 11 . 1 1 21 21 GLY C C 21 172.614 172.614 172.707 -0.093 25848 3941 1 11 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.390 -0.859 25848 3942 1 11 . 1 1 21 21 GLY H H 21 8.719 8.719 8.530 0.189 25848 3943 1 11 . 1 1 22 22 LEU N N 22 120.372 120.372 118.932 1.440 25848 3944 1 11 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.105 -0.024 25848 3945 1 11 . 1 1 22 22 LEU C C 22 174.927 174.927 175.505 -0.578 25848 3946 1 11 . 1 1 22 22 LEU CA C 22 52.450 52.450 52.941 -0.491 25848 3947 1 11 . 1 1 22 22 LEU CB C 22 44.511 44.511 46.273 -1.762 25848 3948 1 11 . 1 1 22 22 LEU H H 22 7.641 7.641 7.134 0.507 25848 3949 1 11 . 1 1 23 23 GLU N N 23 117.193 117.193 116.964 0.229 25848 3950 1 11 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.568 0.140 25848 3951 1 11 . 1 1 23 23 GLU C C 23 173.821 173.821 174.515 -0.694 25848 3952 1 11 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.683 -1.351 25848 3953 1 11 . 1 1 23 23 GLU CB C 23 32.486 32.486 32.670 -0.184 25848 3954 1 11 . 1 1 23 23 GLU H H 23 9.299 9.299 8.409 0.890 25848 3955 1 11 . 1 1 24 24 CYS N N 24 123.260 123.260 122.499 0.761 25848 3956 1 11 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.977 -0.176 25848 3957 1 11 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.294 14.001 25848 3958 1 11 . 1 1 24 24 CYS H H 24 8.953 8.953 8.952 0.001 25848 3959 1 11 . 1 1 25 25 TYR N N 25 134.523 134.523 126.780 7.743 25848 3960 1 11 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.937 -0.124 25848 3961 1 11 . 1 1 25 25 TYR C C 25 173.768 173.768 173.694 0.074 25848 3962 1 11 . 1 1 25 25 TYR CB C 25 43.346 43.346 40.212 3.134 25848 3963 1 11 . 1 1 25 25 TYR H H 25 9.338 9.338 8.616 0.722 25848 3964 1 11 . 1 1 26 26 LYS N N 26 127.496 127.496 122.061 5.435 25848 3965 1 11 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.090 0.006 25848 3966 1 11 . 1 1 26 26 LYS C C 26 174.360 174.360 175.726 -1.366 25848 3967 1 11 . 1 1 26 26 LYS CA C 26 55.938 55.938 55.257 0.681 25848 3968 1 11 . 1 1 26 26 LYS CB C 26 32.667 32.667 32.806 -0.139 25848 3969 1 11 . 1 1 26 26 LYS H H 26 8.176 8.176 8.357 -0.181 25848 3970 1 11 . 1 1 27 27 ARG N N 27 125.899 125.899 123.884 2.015 25848 3971 1 11 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.156 0.069 25848 3972 1 11 . 1 1 27 27 ARG C C 27 174.385 174.385 175.894 -1.509 25848 3973 1 11 . 1 1 27 27 ARG CA C 27 55.989 55.989 55.209 0.780 25848 3974 1 11 . 1 1 27 27 ARG CB C 27 32.009 32.009 31.381 0.628 25848 3975 1 11 . 1 1 27 27 ARG H H 27 7.493 7.493 8.324 -0.831 25848 3976 1 11 . 1 1 28 28 ARG N N 28 121.214 121.214 120.280 0.934 25848 3977 1 11 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.344 -0.432 25848 3978 1 11 . 1 1 28 28 ARG C C 28 176.613 176.613 176.309 0.304 25848 3979 1 11 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.047 0.567 25848 3980 1 11 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.384 -0.709 25848 3981 1 11 . 1 1 28 28 ARG H H 28 8.519 8.519 8.651 -0.132 25848 3982 1 11 . 1 1 29 29 HIS N N 29 116.413 116.413 115.066 1.347 25848 3983 1 11 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.986 -0.506 25848 3984 1 11 . 1 1 29 29 HIS C C 29 174.166 174.166 173.941 0.225 25848 3985 1 11 . 1 1 29 29 HIS CA C 29 56.020 56.020 55.422 0.598 25848 3986 1 11 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.069 -1.935 25848 3987 1 11 . 1 1 29 29 HIS H H 29 8.771 8.771 7.711 1.060 25848 3988 1 11 . 1 1 30 30 SER N N 30 113.403 113.403 116.040 -2.637 25848 3989 1 11 . 1 1 30 30 SER HA H 30 4.469 4.469 4.681 -0.212 25848 3990 1 11 . 1 1 30 30 SER C C 30 173.332 173.332 172.851 0.481 25848 3991 1 11 . 1 1 30 30 SER CA C 30 57.257 57.257 56.913 0.344 25848 3992 1 11 . 1 1 30 30 SER CB C 30 63.559 63.559 64.813 -1.254 25848 3993 1 11 . 1 1 30 30 SER H H 30 7.826 7.826 7.894 -0.068 25848 3994 1 11 . 1 1 31 31 PHE N N 31 118.662 118.662 120.252 -1.590 25848 3995 1 11 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.614 0.179 25848 3996 1 11 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.506 0.806 25848 3997 1 11 . 1 1 31 31 PHE H H 31 7.801 7.801 8.408 -0.607 25848 3998 1 11 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.223 0.387 25848 3999 1 11 . 1 1 32 32 GLU CB C 32 30.289 30.289 30.147 0.142 25848 4000 1 11 . 1 1 33 33 VAL N N 33 121.027 121.027 115.131 5.896 25848 4001 1 11 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.660 0.441 25848 4002 1 11 . 1 1 33 33 VAL C C 33 175.754 175.754 174.682 1.072 25848 4003 1 11 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.101 -0.556 25848 4004 1 11 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.355 2.109 25848 4005 1 11 . 1 1 33 33 VAL H H 33 8.581 8.581 8.204 0.377 25848 4006 1 11 . 1 1 34 34 CYS N N 34 119.365 119.365 118.822 0.543 25848 4007 1 11 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.439 0.625 25848 4008 1 11 . 1 1 34 34 CYS C C 34 174.853 174.853 174.968 -0.115 25848 4009 1 11 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.705 -5.010 25848 4010 1 11 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.030 14.944 25848 4011 1 11 . 1 1 34 34 CYS H H 34 7.968 7.968 8.710 -0.742 25848 4012 1 11 . 1 1 35 35 VAL N N 35 122.141 122.141 117.375 4.766 25848 4013 1 11 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.196 0.272 25848 4014 1 11 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.603 0.427 25848 4015 1 11 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.522 -0.305 25848 4016 1 11 . 1 1 35 35 VAL H H 35 9.611 9.611 8.840 0.771 25848 4017 1 11 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.527 -0.129 25848 4018 1 11 . 1 1 36 36 PRO C C 36 176.509 176.509 176.761 -0.252 25848 4019 1 11 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.346 0.973 25848 4020 1 11 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.657 0.455 25848 4021 1 11 . 1 1 37 37 ILE N N 37 125.294 125.294 127.250 -1.956 25848 4022 1 11 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.279 -0.148 25848 4023 1 11 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.685 0.105 25848 4024 1 11 . 1 1 37 37 ILE CB C 37 39.566 39.566 37.746 1.820 25848 4025 1 11 . 1 1 37 37 ILE H H 37 7.927 7.927 7.802 0.125 25848 4026 1 11 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.525 -0.188 25848 4027 1 11 . 1 1 38 38 PRO C C 38 177.800 177.800 177.549 0.251 25848 4028 1 11 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.551 0.543 25848 4029 1 11 . 1 1 38 38 PRO CB C 38 31.731 31.731 32.009 -0.278 25848 4030 1 11 . 1 1 39 39 GLY N N 39 112.745 112.745 112.230 0.515 25848 4031 1 11 . 1 1 39 39 GLY C C 39 174.463 174.463 174.825 -0.362 25848 4032 1 11 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.251 0.212 25848 4033 1 11 . 1 1 39 39 GLY H H 39 8.843 8.843 8.481 0.362 25848 4034 1 11 . 1 1 40 40 PHE N N 40 120.803 120.803 120.074 0.729 25848 4035 1 11 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.446 -0.125 25848 4036 1 11 . 1 1 40 40 PHE C C 40 174.706 174.706 174.702 0.004 25848 4037 1 11 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.230 0.438 25848 4038 1 11 . 1 1 40 40 PHE CB C 40 39.815 39.815 40.004 -0.189 25848 4039 1 11 . 1 1 40 40 PHE H H 40 7.762 7.762 7.548 0.214 25848 4040 1 11 . 1 1 41 41 CYS N N 41 120.807 120.807 121.334 -0.527 25848 4041 1 11 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.590 -0.016 25848 4042 1 11 . 1 1 41 41 CYS C C 41 171.732 171.732 171.829 -0.097 25848 4043 1 11 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.099 -1.433 25848 4044 1 11 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.715 13.394 25848 4045 1 11 . 1 1 41 41 CYS H H 41 7.040 7.040 7.314 -0.275 25848 4046 1 11 . 1 1 42 42 LEU N N 42 119.987 119.987 119.329 0.658 25848 4047 1 11 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.863 -0.591 25848 4048 1 11 . 1 1 42 42 LEU C C 42 173.872 173.872 176.305 -2.433 25848 4049 1 11 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.267 0.736 25848 4050 1 11 . 1 1 42 42 LEU CB C 42 43.826 43.826 45.187 -1.361 25848 4051 1 11 . 1 1 42 42 LEU H H 42 8.728 8.728 8.156 0.572 25848 4052 1 11 . 1 1 43 43 VAL N N 43 115.632 115.632 115.383 0.249 25848 4053 1 11 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.416 -0.608 25848 4054 1 11 . 1 1 43 43 VAL C C 43 173.751 173.751 175.929 -2.178 25848 4055 1 11 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.524 -0.266 25848 4056 1 11 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.141 -1.284 25848 4057 1 11 . 1 1 43 43 VAL H H 43 7.192 7.192 8.084 -0.892 25848 4058 1 11 . 1 1 44 44 LYS N N 44 117.023 117.023 116.210 0.813 25848 4059 1 11 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.045 -0.815 25848 4060 1 11 . 1 1 44 44 LYS C C 44 176.385 176.385 175.157 1.228 25848 4061 1 11 . 1 1 44 44 LYS CA C 44 58.773 58.773 57.471 1.302 25848 4062 1 11 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.963 0.067 25848 4063 1 11 . 1 1 44 44 LYS H H 44 7.531 7.531 8.597 -1.066 25848 4064 1 11 . 1 1 45 45 TRP N N 45 117.377 117.377 118.437 -1.060 25848 4065 1 11 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.793 -0.346 25848 4066 1 11 . 1 1 45 45 TRP C C 45 175.675 175.675 175.526 0.149 25848 4067 1 11 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.410 1.611 25848 4068 1 11 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.091 -2.096 25848 4069 1 11 . 1 1 45 45 TRP H H 45 9.364 9.364 7.554 1.810 25848 4070 1 11 . 1 1 46 46 LYS N N 46 119.913 119.913 119.790 0.123 25848 4071 1 11 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.807 -0.417 25848 4072 1 11 . 1 1 46 46 LYS C C 46 176.776 176.776 175.941 0.835 25848 4073 1 11 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.703 0.459 25848 4074 1 11 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.867 -2.201 25848 4075 1 11 . 1 1 46 46 LYS H H 46 7.985 7.985 7.494 0.491 25848 4076 1 11 . 1 1 47 47 GLN N N 47 121.031 121.031 120.272 0.759 25848 4077 1 11 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.375 0.504 25848 4078 1 11 . 1 1 47 47 GLN C C 47 177.118 177.118 176.825 0.293 25848 4079 1 11 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.919 -0.364 25848 4080 1 11 . 1 1 47 47 GLN H H 47 8.623 8.623 8.747 -0.124 25848 4081 1 11 . 1 1 48 48 CYS N N 48 115.456 115.456 120.754 -5.298 25848 4082 1 11 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.645 0.111 25848 4083 1 11 . 1 1 48 48 CYS C C 48 173.978 173.978 175.625 -1.647 25848 4084 1 11 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.012 14.977 25848 4085 1 11 . 1 1 48 48 CYS H H 48 8.365 8.365 8.447 -0.082 25848 4086 1 11 . 1 1 49 49 ASP N N 49 123.208 123.208 124.757 -1.549 25848 4087 1 11 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.406 0.042 25848 4088 1 11 . 1 1 49 49 ASP C C 49 177.773 177.773 177.400 0.373 25848 4089 1 11 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.513 0.475 25848 4090 1 11 . 1 1 49 49 ASP CB C 49 41.080 41.080 41.158 -0.078 25848 4091 1 11 . 1 1 49 49 ASP H H 49 7.839 7.839 7.564 0.276 25848 4092 1 11 . 1 1 50 50 GLY N N 50 115.583 115.583 115.269 0.314 25848 4093 1 11 . 1 1 50 50 GLY C C 50 173.522 173.522 174.802 -1.280 25848 4094 1 11 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.876 0.408 25848 4095 1 11 . 1 1 50 50 GLY H H 50 9.371 9.371 9.062 0.309 25848 4096 1 11 . 1 1 51 51 ARG N N 51 122.794 122.794 122.049 0.745 25848 4097 1 11 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.620 0.038 25848 4098 1 11 . 1 1 51 51 ARG C C 51 176.977 176.977 176.806 0.171 25848 4099 1 11 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.650 0.102 25848 4100 1 11 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.893 1.190 25848 4101 1 11 . 1 1 51 51 ARG H H 51 8.199 8.199 7.960 0.239 25848 4102 1 11 . 1 1 52 52 GLU N N 52 117.957 117.957 118.772 -0.815 25848 4103 1 11 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.070 0.004 25848 4104 1 11 . 1 1 52 52 GLU C C 52 178.254 178.254 176.375 1.879 25848 4105 1 11 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.647 2.583 25848 4106 1 11 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.138 -0.330 25848 4107 1 11 . 1 1 52 52 GLU H H 52 8.992 8.992 8.704 0.288 25848 4108 1 11 . 1 1 53 53 ARG N N 53 116.423 116.423 114.955 1.468 25848 4109 1 11 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.589 -0.025 25848 4110 1 11 . 1 1 53 53 ARG C C 53 177.327 177.327 175.527 1.800 25848 4111 1 11 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.774 -0.294 25848 4112 1 11 . 1 1 53 53 ARG CB C 53 29.265 29.265 29.996 -0.731 25848 4113 1 11 . 1 1 53 53 ARG H H 53 8.513 8.513 7.830 0.683 25848 4114 1 11 . 1 1 54 54 ASP N N 54 118.043 118.043 120.619 -2.576 25848 4115 1 11 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.813 0.002 25848 4116 1 11 . 1 1 54 54 ASP C C 54 176.941 176.941 175.295 1.646 25848 4117 1 11 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.790 -3.043 25848 4118 1 11 . 1 1 54 54 ASP H H 54 7.933 7.933 7.961 -0.028 25848 4119 1 11 . 1 1 55 55 CYS N N 55 118.999 118.999 118.322 0.677 25848 4120 1 11 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.160 0.817 25848 4121 1 11 . 1 1 55 55 CYS C C 55 175.757 175.757 175.398 0.359 25848 4122 1 11 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.959 -4.970 25848 4123 1 11 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.264 11.170 25848 4124 1 11 . 1 1 55 55 CYS H H 55 8.222 8.222 7.575 0.647 25848 4125 1 11 . 1 1 56 56 CYS N N 56 121.139 121.139 119.994 1.145 25848 4126 1 11 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.307 0.027 25848 4127 1 11 . 1 1 56 56 CYS C C 56 171.957 171.957 175.580 -3.623 25848 4128 1 11 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.886 -5.395 25848 4129 1 11 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.325 12.688 25848 4130 1 11 . 1 1 56 56 CYS H H 56 8.999 8.999 8.072 0.927 25848 4131 1 11 . 1 1 57 57 ALA N N 57 120.553 120.553 124.624 -4.071 25848 4132 1 11 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.127 -0.054 25848 4133 1 11 . 1 1 57 57 ALA C C 57 178.248 178.248 178.259 -0.011 25848 4134 1 11 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.191 0.573 25848 4135 1 11 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.368 0.029 25848 4136 1 11 . 1 1 57 57 ALA H H 57 8.084 8.084 8.543 -0.459 25848 4137 1 11 . 1 1 58 58 GLY N N 58 110.247 110.247 111.632 -1.385 25848 4138 1 11 . 1 1 58 58 GLY C C 58 173.204 173.204 173.813 -0.609 25848 4139 1 11 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.748 0.010 25848 4140 1 11 . 1 1 58 58 GLY H H 58 8.713 8.713 8.581 0.132 25848 4141 1 11 . 1 1 59 59 LEU N N 59 120.155 120.155 121.477 -1.322 25848 4142 1 11 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.551 0.415 25848 4143 1 11 . 1 1 59 59 LEU C C 59 175.349 175.349 175.970 -0.621 25848 4144 1 11 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.684 -2.239 25848 4145 1 11 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.494 0.990 25848 4146 1 11 . 1 1 59 59 LEU H H 59 7.901 7.901 7.336 0.565 25848 4147 1 11 . 1 1 60 60 GLU N N 60 117.726 117.726 114.208 3.518 25848 4148 1 11 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.494 0.185 25848 4149 1 11 . 1 1 60 60 GLU C C 60 174.016 174.016 174.677 -0.661 25848 4150 1 11 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.202 0.393 25848 4151 1 11 . 1 1 60 60 GLU H H 60 9.145 9.145 8.074 1.071 25848 4152 1 11 . 1 1 61 61 CYS N N 61 122.299 122.299 122.696 -0.397 25848 4153 1 11 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.418 0.428 25848 4154 1 11 . 1 1 61 61 CYS C C 61 173.374 173.374 174.865 -1.491 25848 4155 1 11 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.378 14.096 25848 4156 1 11 . 1 1 61 61 CYS H H 61 9.064 9.064 9.013 0.051 25848 4157 1 11 . 1 1 62 62 TRP N N 62 135.668 135.668 130.943 4.725 25848 4158 1 11 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.606 0.292 25848 4159 1 11 . 1 1 62 62 TRP C C 62 174.430 174.430 174.890 -0.460 25848 4160 1 11 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.234 1.232 25848 4161 1 11 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.992 -0.007 25848 4162 1 11 . 1 1 62 62 TRP H H 62 9.434 9.434 8.511 0.923 25848 4163 1 11 . 1 1 63 63 LYS N N 63 128.624 128.624 128.028 0.596 25848 4164 1 11 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.353 -0.006 25848 4165 1 11 . 1 1 63 63 LYS C C 63 175.409 175.409 175.542 -0.133 25848 4166 1 11 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.105 0.516 25848 4167 1 11 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.405 0.113 25848 4168 1 11 . 1 1 63 63 LYS H H 63 8.392 8.392 8.559 -0.167 25848 4169 1 11 . 1 1 64 64 ARG N N 64 125.507 125.507 124.538 0.969 25848 4170 1 11 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.273 -0.338 25848 4171 1 11 . 1 1 64 64 ARG C C 64 175.704 175.704 174.857 0.847 25848 4172 1 11 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.367 0.487 25848 4173 1 11 . 1 1 64 64 ARG CB C 64 32.496 32.496 31.878 0.618 25848 4174 1 11 . 1 1 64 64 ARG H H 64 7.877 7.877 8.090 -0.213 25848 4175 1 11 . 1 1 65 65 SER N N 65 115.709 115.709 119.438 -3.729 25848 4176 1 11 . 1 1 65 65 SER HA H 65 4.306 4.306 4.678 -0.372 25848 4177 1 11 . 1 1 65 65 SER C C 65 175.289 175.289 175.205 0.084 25848 4178 1 11 . 1 1 65 65 SER CA C 65 58.778 58.778 57.689 1.089 25848 4179 1 11 . 1 1 65 65 SER CB C 65 63.667 63.667 64.470 -0.803 25848 4180 1 11 . 1 1 65 65 SER H H 65 8.198 8.198 8.263 -0.065 25848 4181 1 11 . 1 1 66 66 GLY N N 66 110.671 110.671 113.221 -2.550 25848 4182 1 11 . 1 1 66 66 GLY C C 66 174.634 174.634 174.835 -0.201 25848 4183 1 11 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.090 0.990 25848 4184 1 11 . 1 1 66 66 GLY H H 66 8.675 8.675 8.383 0.292 25848 4185 1 11 . 1 1 67 67 ASN N N 67 118.608 118.608 118.774 -0.166 25848 4186 1 11 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.826 -0.164 25848 4187 1 11 . 1 1 67 67 ASN C C 67 175.108 175.108 175.757 -0.649 25848 4188 1 11 . 1 1 67 67 ASN CA C 67 52.755 52.755 54.924 -2.169 25848 4189 1 11 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.311 -0.811 25848 4190 1 11 . 1 1 67 67 ASN H H 67 8.374 8.374 8.637 -0.263 25848 4191 1 11 . 1 1 68 68 LYS N N 68 119.218 119.218 118.341 0.877 25848 4192 1 11 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.416 -0.086 25848 4193 1 11 . 1 1 68 68 LYS C C 68 176.405 176.405 175.457 0.948 25848 4194 1 11 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.385 1.022 25848 4195 1 11 . 1 1 68 68 LYS CB C 68 33.907 33.907 33.236 0.671 25848 4196 1 11 . 1 1 68 68 LYS H H 68 7.816 7.816 7.695 0.121 25848 4197 1 11 . 1 1 69 69 SER N N 69 115.165 115.165 115.398 -0.233 25848 4198 1 11 . 1 1 69 69 SER HA H 69 4.615 4.615 4.395 0.220 25848 4199 1 11 . 1 1 69 69 SER C C 69 174.381 174.381 175.200 -0.819 25848 4200 1 11 . 1 1 69 69 SER CA C 69 57.773 57.773 58.700 -0.927 25848 4201 1 11 . 1 1 69 69 SER CB C 69 64.533 64.533 63.761 0.772 25848 4202 1 11 . 1 1 69 69 SER H H 69 8.176 8.176 8.417 -0.241 25848 4203 1 11 . 1 1 70 70 SER N N 70 121.583 121.583 116.657 4.926 25848 4204 1 11 . 1 1 70 70 SER HA H 70 5.011 5.011 4.379 0.632 25848 4205 1 11 . 1 1 70 70 SER C C 70 175.256 175.256 174.403 0.853 25848 4206 1 11 . 1 1 70 70 SER CA C 70 58.455 58.455 59.457 -1.002 25848 4207 1 11 . 1 1 70 70 SER CB C 70 63.987 63.987 63.424 0.563 25848 4208 1 11 . 1 1 70 70 SER H H 70 9.539 9.539 8.430 1.109 25848 4209 1 11 . 1 1 71 71 VAL N N 71 115.977 115.977 118.963 -2.986 25848 4210 1 11 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.929 0.409 25848 4211 1 11 . 1 1 71 71 VAL C C 71 176.220 176.220 175.016 1.204 25848 4212 1 11 . 1 1 71 71 VAL CA C 71 58.655 58.655 59.429 -0.774 25848 4213 1 11 . 1 1 71 71 VAL CB C 71 37.422 37.422 35.196 2.226 25848 4214 1 11 . 1 1 71 71 VAL H H 71 8.502 8.502 7.828 0.674 25848 4215 1 11 . 1 1 72 72 CYS N N 72 120.794 120.794 118.783 2.011 25848 4216 1 11 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.551 -0.526 25848 4217 1 11 . 1 1 72 72 CYS C C 72 174.142 174.142 174.574 -0.432 25848 4218 1 11 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.880 -3.414 25848 4219 1 11 . 1 1 72 72 CYS CB C 72 38.458 38.458 28.995 9.463 25848 4220 1 11 . 1 1 72 72 CYS H H 72 8.557 8.557 8.095 0.462 25848 4221 1 11 . 1 1 73 73 ALA N N 73 130.318 130.318 125.720 4.598 25848 4222 1 11 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.774 -0.314 25848 4223 1 11 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.512 0.085 25848 4224 1 11 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.306 1.228 25848 4225 1 11 . 1 1 73 73 ALA H H 73 9.629 9.629 8.784 0.845 25848 4226 1 11 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.500 0.000 25848 4227 1 11 . 1 1 74 74 PRO C C 74 176.504 176.504 176.707 -0.203 25848 4228 1 11 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.945 1.274 25848 4229 1 11 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.332 -0.429 25848 4230 1 11 . 1 1 75 75 ILE N N 75 122.019 122.019 115.028 6.991 25848 4231 1 11 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.257 -0.313 25848 4232 1 11 . 1 1 75 75 ILE C C 75 175.793 175.793 176.411 -0.618 25848 4233 1 11 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.449 0.897 25848 4234 1 11 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.948 1.021 25848 4235 1 11 . 1 1 75 75 ILE H H 75 7.769 7.769 8.073 -0.304 25848 4236 1 12 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.879 -0.168 25848 4237 1 12 . 1 1 2 2 ASN C C 2 174.785 174.785 175.113 -0.328 25848 4238 1 12 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.327 -0.507 25848 4239 1 12 . 1 1 3 3 GLU N N 3 121.744 121.744 119.290 2.454 25848 4240 1 12 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.370 -0.022 25848 4241 1 12 . 1 1 3 3 GLU C C 3 176.060 176.060 175.789 0.271 25848 4242 1 12 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.562 -0.296 25848 4243 1 12 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.480 -0.293 25848 4244 1 12 . 1 1 3 3 GLU H H 3 8.470 8.470 8.520 -0.050 25848 4245 1 12 . 1 1 4 4 CYS N N 4 119.765 119.765 116.724 3.041 25848 4246 1 12 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.775 0.022 25848 4247 1 12 . 1 1 4 4 CYS C C 4 173.263 173.263 174.740 -1.477 25848 4248 1 12 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.987 12.314 25848 4249 1 12 . 1 1 4 4 CYS H H 4 8.317 8.317 8.420 -0.103 25848 4250 1 12 . 1 1 5 5 ILE N N 5 122.940 122.940 123.680 -0.740 25848 4251 1 12 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.137 -0.249 25848 4252 1 12 . 1 1 5 5 ILE C C 5 173.890 173.890 176.167 -2.277 25848 4253 1 12 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.697 0.819 25848 4254 1 12 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.455 0.825 25848 4255 1 12 . 1 1 5 5 ILE H H 5 8.912 8.912 8.117 0.795 25848 4256 1 12 . 1 1 6 6 ARG N N 6 125.981 125.981 127.016 -1.035 25848 4257 1 12 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.119 -0.257 25848 4258 1 12 . 1 1 6 6 ARG C C 6 174.259 174.259 176.158 -1.899 25848 4259 1 12 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.679 -0.661 25848 4260 1 12 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.706 1.071 25848 4261 1 12 . 1 1 6 6 ARG H H 6 7.528 7.528 8.441 -0.913 25848 4262 1 12 . 1 1 7 7 LYS N N 7 116.267 116.267 122.065 -5.798 25848 4263 1 12 . 1 1 7 7 LYS HA H 7 3.286 3.286 4.117 -0.831 25848 4264 1 12 . 1 1 7 7 LYS C C 7 175.417 175.417 176.469 -1.052 25848 4265 1 12 . 1 1 7 7 LYS CA C 7 58.323 58.323 56.596 1.726 25848 4266 1 12 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.980 -0.309 25848 4267 1 12 . 1 1 7 7 LYS H H 7 7.558 7.558 8.316 -0.758 25848 4268 1 12 . 1 1 8 8 TRP N N 8 115.300 115.300 123.793 -8.493 25848 4269 1 12 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.387 -0.127 25848 4270 1 12 . 1 1 8 8 TRP C C 8 175.069 175.069 175.313 -0.244 25848 4271 1 12 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.384 -0.376 25848 4272 1 12 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.790 0.897 25848 4273 1 12 . 1 1 8 8 TRP H H 8 9.357 9.357 8.491 0.866 25848 4274 1 12 . 1 1 9 9 LEU N N 9 120.240 120.240 119.940 0.300 25848 4275 1 12 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.827 -0.130 25848 4276 1 12 . 1 1 9 9 LEU C C 9 176.636 176.636 175.731 0.905 25848 4277 1 12 . 1 1 9 9 LEU CB C 9 42.248 42.248 43.803 -1.555 25848 4278 1 12 . 1 1 9 9 LEU H H 9 7.701 7.701 8.172 -0.471 25848 4279 1 12 . 1 1 10 10 SER N N 10 110.077 110.077 111.125 -1.048 25848 4280 1 12 . 1 1 10 10 SER HA H 10 4.704 4.704 4.935 -0.231 25848 4281 1 12 . 1 1 10 10 SER CB C 10 64.064 64.064 63.159 0.905 25848 4282 1 12 . 1 1 10 10 SER H H 10 8.148 8.148 7.994 0.154 25848 4283 1 12 . 1 1 11 11 CYS N N 11 121.141 121.141 119.517 1.624 25848 4284 1 12 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.962 -0.092 25848 4285 1 12 . 1 1 11 11 CYS CB C 11 44.031 44.031 28.887 15.143 25848 4286 1 12 . 1 1 11 11 CYS H H 11 8.580 8.580 8.951 -0.371 25848 4287 1 12 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.754 -0.189 25848 4288 1 12 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.355 -0.158 25848 4289 1 12 . 1 1 12 12 VAL H H 12 7.776 7.776 7.263 0.513 25848 4290 1 12 . 1 1 15 15 LYS N N 15 117.195 117.195 122.915 -5.720 25848 4291 1 12 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.046 0.313 25848 4292 1 12 . 1 1 15 15 LYS C C 15 177.505 177.505 177.103 0.402 25848 4293 1 12 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.843 0.600 25848 4294 1 12 . 1 1 15 15 LYS CB C 15 32.571 32.571 31.731 0.840 25848 4295 1 12 . 1 1 15 15 LYS H H 15 7.936 7.936 8.194 -0.258 25848 4296 1 12 . 1 1 16 16 ASN N N 16 115.005 115.005 115.135 -0.130 25848 4297 1 12 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.637 0.438 25848 4298 1 12 . 1 1 16 16 ASN C C 16 176.707 176.707 175.123 1.584 25848 4299 1 12 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.635 -1.625 25848 4300 1 12 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.440 0.729 25848 4301 1 12 . 1 1 16 16 ASN H H 16 8.644 8.644 8.562 0.082 25848 4302 1 12 . 1 1 17 17 ASP N N 17 118.040 118.040 118.603 -0.563 25848 4303 1 12 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.884 -0.021 25848 4304 1 12 . 1 1 17 17 ASP C C 17 176.756 176.756 175.473 1.283 25848 4305 1 12 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.823 0.187 25848 4306 1 12 . 1 1 17 17 ASP H H 17 7.592 7.592 7.886 -0.294 25848 4307 1 12 . 1 1 18 18 CYS N N 18 119.499 119.499 118.219 1.280 25848 4308 1 12 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.163 0.737 25848 4309 1 12 . 1 1 18 18 CYS C C 18 176.186 176.186 174.674 1.512 25848 4310 1 12 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.468 11.419 25848 4311 1 12 . 1 1 18 18 CYS H H 18 8.729 8.729 7.824 0.904 25848 4312 1 12 . 1 1 19 19 CYS N N 19 120.655 120.655 112.593 8.062 25848 4313 1 12 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.388 0.027 25848 4314 1 12 . 1 1 19 19 CYS C C 19 171.719 171.719 172.715 -0.996 25848 4315 1 12 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.081 -3.512 25848 4316 1 12 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.753 11.164 25848 4317 1 12 . 1 1 19 19 CYS H H 19 9.086 9.086 8.171 0.915 25848 4318 1 12 . 1 1 20 20 GLU N N 20 118.445 118.445 123.549 -5.104 25848 4319 1 12 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.274 -0.343 25848 4320 1 12 . 1 1 20 20 GLU C C 20 176.509 176.509 176.674 -0.165 25848 4321 1 12 . 1 1 20 20 GLU CA C 20 57.820 57.820 57.059 0.761 25848 4322 1 12 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.616 0.287 25848 4323 1 12 . 1 1 20 20 GLU H H 20 8.155 8.155 8.874 -0.719 25848 4324 1 12 . 1 1 21 21 GLY N N 21 113.662 113.662 113.614 0.048 25848 4325 1 12 . 1 1 21 21 GLY C C 21 172.614 172.614 172.929 -0.315 25848 4326 1 12 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.230 -0.699 25848 4327 1 12 . 1 1 21 21 GLY H H 21 8.719 8.719 8.460 0.259 25848 4328 1 12 . 1 1 22 22 LEU N N 22 120.372 120.372 118.428 1.944 25848 4329 1 12 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.240 -0.159 25848 4330 1 12 . 1 1 22 22 LEU C C 22 174.927 174.927 175.872 -0.945 25848 4331 1 12 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.188 -0.738 25848 4332 1 12 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.766 -1.255 25848 4333 1 12 . 1 1 22 22 LEU H H 22 7.641 7.641 7.147 0.494 25848 4334 1 12 . 1 1 23 23 GLU N N 23 117.193 117.193 119.134 -1.941 25848 4335 1 12 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.662 0.046 25848 4336 1 12 . 1 1 23 23 GLU C C 23 173.821 173.821 174.388 -0.567 25848 4337 1 12 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.511 -1.179 25848 4338 1 12 . 1 1 23 23 GLU CB C 23 32.486 32.486 34.741 -2.255 25848 4339 1 12 . 1 1 23 23 GLU H H 23 9.299 9.299 8.767 0.532 25848 4340 1 12 . 1 1 24 24 CYS N N 24 123.260 123.260 121.082 2.178 25848 4341 1 12 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.673 0.128 25848 4342 1 12 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.104 14.191 25848 4343 1 12 . 1 1 24 24 CYS H H 24 8.953 8.953 8.698 0.255 25848 4344 1 12 . 1 1 25 25 TYR N N 25 134.523 134.523 129.984 4.539 25848 4345 1 12 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.595 0.218 25848 4346 1 12 . 1 1 25 25 TYR C C 25 173.768 173.768 174.342 -0.574 25848 4347 1 12 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.808 1.538 25848 4348 1 12 . 1 1 25 25 TYR H H 25 9.338 9.338 7.974 1.364 25848 4349 1 12 . 1 1 26 26 LYS N N 26 127.496 127.496 122.825 4.671 25848 4350 1 12 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.521 -0.425 25848 4351 1 12 . 1 1 26 26 LYS C C 26 174.360 174.360 175.185 -0.825 25848 4352 1 12 . 1 1 26 26 LYS CA C 26 55.938 55.938 54.705 1.233 25848 4353 1 12 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.092 -0.425 25848 4354 1 12 . 1 1 26 26 LYS H H 26 8.176 8.176 7.249 0.927 25848 4355 1 12 . 1 1 27 27 ARG N N 27 125.899 125.899 124.453 1.446 25848 4356 1 12 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.485 -0.260 25848 4357 1 12 . 1 1 27 27 ARG C C 27 174.385 174.385 176.740 -2.355 25848 4358 1 12 . 1 1 27 27 ARG CA C 27 55.989 55.989 55.265 0.724 25848 4359 1 12 . 1 1 27 27 ARG CB C 27 32.009 32.009 32.010 -0.001 25848 4360 1 12 . 1 1 27 27 ARG H H 27 7.493 7.493 8.905 -1.412 25848 4361 1 12 . 1 1 28 28 ARG N N 28 121.214 121.214 121.407 -0.193 25848 4362 1 12 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.049 -0.137 25848 4363 1 12 . 1 1 28 28 ARG C C 28 176.613 176.613 177.196 -0.583 25848 4364 1 12 . 1 1 28 28 ARG CA C 28 57.614 57.614 58.471 -0.857 25848 4365 1 12 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.321 -0.646 25848 4366 1 12 . 1 1 28 28 ARG H H 28 8.519 8.519 8.695 -0.176 25848 4367 1 12 . 1 1 29 29 HIS N N 29 116.413 116.413 114.215 2.198 25848 4368 1 12 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.669 -0.189 25848 4369 1 12 . 1 1 29 29 HIS C C 29 174.166 174.166 175.060 -0.894 25848 4370 1 12 . 1 1 29 29 HIS CA C 29 56.020 56.020 56.147 -0.127 25848 4371 1 12 . 1 1 29 29 HIS CB C 29 28.134 28.134 31.046 -2.912 25848 4372 1 12 . 1 1 29 29 HIS H H 29 8.771 8.771 8.198 0.573 25848 4373 1 12 . 1 1 30 30 SER N N 30 113.403 113.403 116.770 -3.367 25848 4374 1 12 . 1 1 30 30 SER HA H 30 4.469 4.469 4.249 0.220 25848 4375 1 12 . 1 1 30 30 SER C C 30 173.332 173.332 174.563 -1.231 25848 4376 1 12 . 1 1 30 30 SER CA C 30 57.257 57.257 57.992 -0.735 25848 4377 1 12 . 1 1 30 30 SER CB C 30 63.559 63.559 63.807 -0.249 25848 4378 1 12 . 1 1 30 30 SER H H 30 7.826 7.826 7.828 -0.002 25848 4379 1 12 . 1 1 31 31 PHE N N 31 118.662 118.662 121.538 -2.876 25848 4380 1 12 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.546 0.247 25848 4381 1 12 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.377 0.935 25848 4382 1 12 . 1 1 31 31 PHE H H 31 7.801 7.801 7.840 -0.039 25848 4383 1 12 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.424 0.186 25848 4384 1 12 . 1 1 32 32 GLU CB C 32 30.289 30.289 29.686 0.603 25848 4385 1 12 . 1 1 33 33 VAL N N 33 121.027 121.027 115.872 5.155 25848 4386 1 12 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.654 0.447 25848 4387 1 12 . 1 1 33 33 VAL C C 33 175.754 175.754 174.602 1.152 25848 4388 1 12 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.472 -0.927 25848 4389 1 12 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.602 1.862 25848 4390 1 12 . 1 1 33 33 VAL H H 33 8.581 8.581 8.098 0.483 25848 4391 1 12 . 1 1 34 34 CYS N N 34 119.365 119.365 120.052 -0.687 25848 4392 1 12 . 1 1 34 34 CYS HA H 34 5.064 5.064 5.041 0.023 25848 4393 1 12 . 1 1 34 34 CYS C C 34 174.853 174.853 174.564 0.289 25848 4394 1 12 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.762 -5.067 25848 4395 1 12 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.900 14.074 25848 4396 1 12 . 1 1 34 34 CYS H H 34 7.968 7.968 8.745 -0.777 25848 4397 1 12 . 1 1 35 35 VAL N N 35 122.141 122.141 116.309 5.832 25848 4398 1 12 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.024 0.444 25848 4399 1 12 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.545 0.485 25848 4400 1 12 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.527 -0.311 25848 4401 1 12 . 1 1 35 35 VAL H H 35 9.611 9.611 8.820 0.791 25848 4402 1 12 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.689 -0.291 25848 4403 1 12 . 1 1 36 36 PRO C C 36 176.509 176.509 176.631 -0.122 25848 4404 1 12 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.186 1.134 25848 4405 1 12 . 1 1 36 36 PRO CB C 36 32.112 32.112 32.020 0.092 25848 4406 1 12 . 1 1 37 37 ILE N N 37 125.294 125.294 125.945 -0.651 25848 4407 1 12 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.485 -0.354 25848 4408 1 12 . 1 1 37 37 ILE CA C 37 59.790 59.790 58.981 0.809 25848 4409 1 12 . 1 1 37 37 ILE CB C 37 39.566 39.566 38.142 1.424 25848 4410 1 12 . 1 1 37 37 ILE H H 37 7.927 7.927 7.880 0.047 25848 4411 1 12 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.553 -0.216 25848 4412 1 12 . 1 1 38 38 PRO C C 38 177.800 177.800 177.550 0.250 25848 4413 1 12 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.606 0.488 25848 4414 1 12 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.933 -0.202 25848 4415 1 12 . 1 1 39 39 GLY N N 39 112.745 112.745 112.593 0.152 25848 4416 1 12 . 1 1 39 39 GLY C C 39 174.463 174.463 174.842 -0.379 25848 4417 1 12 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.156 0.307 25848 4418 1 12 . 1 1 39 39 GLY H H 39 8.843 8.843 8.502 0.341 25848 4419 1 12 . 1 1 40 40 PHE N N 40 120.803 120.803 120.144 0.659 25848 4420 1 12 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.473 -0.152 25848 4421 1 12 . 1 1 40 40 PHE C C 40 174.706 174.706 175.014 -0.308 25848 4422 1 12 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.273 0.395 25848 4423 1 12 . 1 1 40 40 PHE CB C 40 39.815 39.815 39.923 -0.108 25848 4424 1 12 . 1 1 40 40 PHE H H 40 7.762 7.762 7.574 0.188 25848 4425 1 12 . 1 1 41 41 CYS N N 41 120.807 120.807 121.877 -1.070 25848 4426 1 12 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.593 -0.019 25848 4427 1 12 . 1 1 41 41 CYS C C 41 171.732 171.732 171.689 0.043 25848 4428 1 12 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.313 -1.647 25848 4429 1 12 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.663 13.446 25848 4430 1 12 . 1 1 41 41 CYS H H 41 7.040 7.040 7.380 -0.340 25848 4431 1 12 . 1 1 42 42 LEU N N 42 119.987 119.987 119.922 0.065 25848 4432 1 12 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.747 -0.475 25848 4433 1 12 . 1 1 42 42 LEU C C 42 173.872 173.872 175.943 -2.071 25848 4434 1 12 . 1 1 42 42 LEU CA C 42 54.003 54.003 52.867 1.136 25848 4435 1 12 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.653 -0.827 25848 4436 1 12 . 1 1 42 42 LEU H H 42 8.728 8.728 7.963 0.765 25848 4437 1 12 . 1 1 43 43 VAL N N 43 115.632 115.632 114.991 0.641 25848 4438 1 12 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.478 -0.670 25848 4439 1 12 . 1 1 43 43 VAL C C 43 173.751 173.751 176.068 -2.317 25848 4440 1 12 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.628 -0.370 25848 4441 1 12 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.087 -1.230 25848 4442 1 12 . 1 1 43 43 VAL H H 43 7.192 7.192 8.117 -0.925 25848 4443 1 12 . 1 1 44 44 LYS N N 44 117.023 117.023 117.752 -0.729 25848 4444 1 12 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.227 -0.997 25848 4445 1 12 . 1 1 44 44 LYS C C 44 176.385 176.385 175.638 0.747 25848 4446 1 12 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.152 0.621 25848 4447 1 12 . 1 1 44 44 LYS CB C 44 32.031 32.031 32.162 -0.131 25848 4448 1 12 . 1 1 44 44 LYS H H 44 7.531 7.531 8.699 -1.168 25848 4449 1 12 . 1 1 45 45 TRP N N 45 117.377 117.377 118.565 -1.188 25848 4450 1 12 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.796 -0.349 25848 4451 1 12 . 1 1 45 45 TRP C C 45 175.675 175.675 174.973 0.702 25848 4452 1 12 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.351 1.670 25848 4453 1 12 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.732 -2.737 25848 4454 1 12 . 1 1 45 45 TRP H H 45 9.364 9.364 7.719 1.645 25848 4455 1 12 . 1 1 46 46 LYS N N 46 119.913 119.913 119.933 -0.020 25848 4456 1 12 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.761 -0.371 25848 4457 1 12 . 1 1 46 46 LYS C C 46 176.776 176.776 175.967 0.809 25848 4458 1 12 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.702 0.459 25848 4459 1 12 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.088 -1.422 25848 4460 1 12 . 1 1 46 46 LYS H H 46 7.985 7.985 7.468 0.517 25848 4461 1 12 . 1 1 47 47 GLN N N 47 121.031 121.031 120.354 0.677 25848 4462 1 12 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.326 0.553 25848 4463 1 12 . 1 1 47 47 GLN C C 47 177.118 177.118 176.761 0.357 25848 4464 1 12 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.937 -0.382 25848 4465 1 12 . 1 1 47 47 GLN H H 47 8.623 8.623 8.765 -0.142 25848 4466 1 12 . 1 1 48 48 CYS N N 48 115.456 115.456 120.538 -5.082 25848 4467 1 12 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.680 0.076 25848 4468 1 12 . 1 1 48 48 CYS C C 48 173.978 173.978 175.591 -1.613 25848 4469 1 12 . 1 1 48 48 CYS CB C 48 43.989 43.989 28.927 15.062 25848 4470 1 12 . 1 1 48 48 CYS H H 48 8.365 8.365 8.524 -0.159 25848 4471 1 12 . 1 1 49 49 ASP N N 49 123.208 123.208 124.133 -0.925 25848 4472 1 12 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.390 0.058 25848 4473 1 12 . 1 1 49 49 ASP C C 49 177.773 177.773 177.751 0.022 25848 4474 1 12 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.832 0.156 25848 4475 1 12 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.679 0.401 25848 4476 1 12 . 1 1 49 49 ASP H H 49 7.839 7.839 7.681 0.158 25848 4477 1 12 . 1 1 50 50 GLY N N 50 115.583 115.583 115.588 -0.005 25848 4478 1 12 . 1 1 50 50 GLY C C 50 173.522 173.522 175.226 -1.704 25848 4479 1 12 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.641 0.643 25848 4480 1 12 . 1 1 50 50 GLY H H 50 9.371 9.371 8.653 0.718 25848 4481 1 12 . 1 1 51 51 ARG N N 51 122.794 122.794 122.315 0.479 25848 4482 1 12 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.644 0.014 25848 4483 1 12 . 1 1 51 51 ARG C C 51 176.977 176.977 176.916 0.061 25848 4484 1 12 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.562 0.190 25848 4485 1 12 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.590 1.493 25848 4486 1 12 . 1 1 51 51 ARG H H 51 8.199 8.199 8.035 0.164 25848 4487 1 12 . 1 1 52 52 GLU N N 52 117.957 117.957 118.110 -0.153 25848 4488 1 12 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.099 -0.025 25848 4489 1 12 . 1 1 52 52 GLU C C 52 178.254 178.254 176.339 1.915 25848 4490 1 12 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.582 2.648 25848 4491 1 12 . 1 1 52 52 GLU CB C 52 28.808 28.808 28.865 -0.057 25848 4492 1 12 . 1 1 52 52 GLU H H 52 8.992 8.992 8.634 0.358 25848 4493 1 12 . 1 1 53 53 ARG N N 53 116.423 116.423 115.208 1.215 25848 4494 1 12 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.536 0.028 25848 4495 1 12 . 1 1 53 53 ARG C C 53 177.327 177.327 175.391 1.936 25848 4496 1 12 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.854 -0.374 25848 4497 1 12 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.050 -0.785 25848 4498 1 12 . 1 1 53 53 ARG H H 53 8.513 8.513 7.812 0.701 25848 4499 1 12 . 1 1 54 54 ASP N N 54 118.043 118.043 120.910 -2.867 25848 4500 1 12 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.808 0.007 25848 4501 1 12 . 1 1 54 54 ASP C C 54 176.941 176.941 175.235 1.706 25848 4502 1 12 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.711 -2.964 25848 4503 1 12 . 1 1 54 54 ASP H H 54 7.933 7.933 7.838 0.095 25848 4504 1 12 . 1 1 55 55 CYS N N 55 118.999 118.999 118.263 0.736 25848 4505 1 12 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.166 0.811 25848 4506 1 12 . 1 1 55 55 CYS C C 55 175.757 175.757 175.425 0.332 25848 4507 1 12 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.962 -4.973 25848 4508 1 12 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.249 11.185 25848 4509 1 12 . 1 1 55 55 CYS H H 55 8.222 8.222 7.585 0.637 25848 4510 1 12 . 1 1 56 56 CYS N N 56 121.139 121.139 120.172 0.967 25848 4511 1 12 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.316 0.018 25848 4512 1 12 . 1 1 56 56 CYS C C 56 171.957 171.957 175.584 -3.627 25848 4513 1 12 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.852 -5.361 25848 4514 1 12 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.361 12.652 25848 4515 1 12 . 1 1 56 56 CYS H H 56 8.999 8.999 8.115 0.884 25848 4516 1 12 . 1 1 57 57 ALA N N 57 120.553 120.553 124.656 -4.103 25848 4517 1 12 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.127 -0.054 25848 4518 1 12 . 1 1 57 57 ALA C C 57 178.248 178.248 178.279 -0.031 25848 4519 1 12 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.243 0.521 25848 4520 1 12 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.376 0.021 25848 4521 1 12 . 1 1 57 57 ALA H H 57 8.084 8.084 8.549 -0.465 25848 4522 1 12 . 1 1 58 58 GLY N N 58 110.247 110.247 111.660 -1.413 25848 4523 1 12 . 1 1 58 58 GLY C C 58 173.204 173.204 174.011 -0.807 25848 4524 1 12 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.758 0.000 25848 4525 1 12 . 1 1 58 58 GLY H H 58 8.713 8.713 8.589 0.124 25848 4526 1 12 . 1 1 59 59 LEU N N 59 120.155 120.155 121.531 -1.376 25848 4527 1 12 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.595 0.371 25848 4528 1 12 . 1 1 59 59 LEU C C 59 175.349 175.349 176.033 -0.684 25848 4529 1 12 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.660 -2.215 25848 4530 1 12 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.499 0.985 25848 4531 1 12 . 1 1 59 59 LEU H H 59 7.901 7.901 7.386 0.515 25848 4532 1 12 . 1 1 60 60 GLU N N 60 117.726 117.726 114.432 3.294 25848 4533 1 12 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.501 0.178 25848 4534 1 12 . 1 1 60 60 GLU C C 60 174.016 174.016 174.639 -0.623 25848 4535 1 12 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.252 0.344 25848 4536 1 12 . 1 1 60 60 GLU H H 60 9.145 9.145 8.146 0.999 25848 4537 1 12 . 1 1 61 61 CYS N N 61 122.299 122.299 122.552 -0.253 25848 4538 1 12 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.434 0.412 25848 4539 1 12 . 1 1 61 61 CYS C C 61 173.374 173.374 174.872 -1.498 25848 4540 1 12 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.425 14.049 25848 4541 1 12 . 1 1 61 61 CYS H H 61 9.064 9.064 8.993 0.071 25848 4542 1 12 . 1 1 62 62 TRP N N 62 135.668 135.668 131.060 4.608 25848 4543 1 12 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.595 0.303 25848 4544 1 12 . 1 1 62 62 TRP C C 62 174.430 174.430 174.841 -0.411 25848 4545 1 12 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.127 1.339 25848 4546 1 12 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.986 -0.001 25848 4547 1 12 . 1 1 62 62 TRP H H 62 9.434 9.434 8.548 0.886 25848 4548 1 12 . 1 1 63 63 LYS N N 63 128.624 128.624 128.072 0.552 25848 4549 1 12 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.343 0.004 25848 4550 1 12 . 1 1 63 63 LYS C C 63 175.409 175.409 175.599 -0.190 25848 4551 1 12 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.132 0.489 25848 4552 1 12 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.286 0.232 25848 4553 1 12 . 1 1 63 63 LYS H H 63 8.392 8.392 8.580 -0.188 25848 4554 1 12 . 1 1 64 64 ARG N N 64 125.507 125.507 124.246 1.261 25848 4555 1 12 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.292 -0.357 25848 4556 1 12 . 1 1 64 64 ARG C C 64 175.704 175.704 174.756 0.948 25848 4557 1 12 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.324 0.530 25848 4558 1 12 . 1 1 64 64 ARG CB C 64 32.496 32.496 31.958 0.538 25848 4559 1 12 . 1 1 64 64 ARG H H 64 7.877 7.877 8.090 -0.213 25848 4560 1 12 . 1 1 65 65 SER N N 65 115.709 115.709 119.585 -3.876 25848 4561 1 12 . 1 1 65 65 SER HA H 65 4.306 4.306 4.713 -0.407 25848 4562 1 12 . 1 1 65 65 SER C C 65 175.289 175.289 175.170 0.119 25848 4563 1 12 . 1 1 65 65 SER CA C 65 58.778 58.778 57.587 1.191 25848 4564 1 12 . 1 1 65 65 SER CB C 65 63.667 63.667 64.692 -1.025 25848 4565 1 12 . 1 1 65 65 SER H H 65 8.198 8.198 8.310 -0.112 25848 4566 1 12 . 1 1 66 66 GLY N N 66 110.671 110.671 114.080 -3.409 25848 4567 1 12 . 1 1 66 66 GLY C C 66 174.634 174.634 174.754 -0.120 25848 4568 1 12 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.043 1.037 25848 4569 1 12 . 1 1 66 66 GLY H H 66 8.675 8.675 8.707 -0.032 25848 4570 1 12 . 1 1 67 67 ASN N N 67 118.608 118.608 117.971 0.637 25848 4571 1 12 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.910 -0.248 25848 4572 1 12 . 1 1 67 67 ASN C C 67 175.108 175.108 175.756 -0.648 25848 4573 1 12 . 1 1 67 67 ASN CA C 67 52.755 52.755 54.161 -1.406 25848 4574 1 12 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.267 -0.767 25848 4575 1 12 . 1 1 67 67 ASN H H 67 8.374 8.374 8.307 0.067 25848 4576 1 12 . 1 1 68 68 LYS N N 68 119.218 119.218 118.590 0.628 25848 4577 1 12 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.442 -0.112 25848 4578 1 12 . 1 1 68 68 LYS C C 68 176.405 176.405 175.180 1.225 25848 4579 1 12 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.357 1.050 25848 4580 1 12 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.207 -0.300 25848 4581 1 12 . 1 1 68 68 LYS H H 68 7.816 7.816 7.721 0.095 25848 4582 1 12 . 1 1 69 69 SER N N 69 115.165 115.165 115.518 -0.353 25848 4583 1 12 . 1 1 69 69 SER HA H 69 4.615 4.615 4.406 0.209 25848 4584 1 12 . 1 1 69 69 SER C C 69 174.381 174.381 174.092 0.289 25848 4585 1 12 . 1 1 69 69 SER CA C 69 57.773 57.773 58.805 -1.032 25848 4586 1 12 . 1 1 69 69 SER CB C 69 64.533 64.533 63.676 0.856 25848 4587 1 12 . 1 1 69 69 SER H H 69 8.176 8.176 8.271 -0.095 25848 4588 1 12 . 1 1 70 70 SER N N 70 121.583 121.583 115.648 5.935 25848 4589 1 12 . 1 1 70 70 SER HA H 70 5.011 5.011 4.359 0.652 25848 4590 1 12 . 1 1 70 70 SER C C 70 175.256 175.256 174.412 0.844 25848 4591 1 12 . 1 1 70 70 SER CA C 70 58.455 58.455 58.728 -0.273 25848 4592 1 12 . 1 1 70 70 SER CB C 70 63.987 63.987 63.291 0.696 25848 4593 1 12 . 1 1 70 70 SER H H 70 9.539 9.539 8.307 1.232 25848 4594 1 12 . 1 1 71 71 VAL N N 71 115.977 115.977 118.227 -2.250 25848 4595 1 12 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.912 0.426 25848 4596 1 12 . 1 1 71 71 VAL C C 71 176.220 176.220 175.265 0.955 25848 4597 1 12 . 1 1 71 71 VAL CA C 71 58.655 58.655 59.213 -0.558 25848 4598 1 12 . 1 1 71 71 VAL CB C 71 37.422 37.422 35.099 2.324 25848 4599 1 12 . 1 1 71 71 VAL H H 71 8.502 8.502 7.776 0.726 25848 4600 1 12 . 1 1 72 72 CYS N N 72 120.794 120.794 118.701 2.093 25848 4601 1 12 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.559 -0.534 25848 4602 1 12 . 1 1 72 72 CYS C C 72 174.142 174.142 174.598 -0.456 25848 4603 1 12 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.988 -3.523 25848 4604 1 12 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.028 9.430 25848 4605 1 12 . 1 1 72 72 CYS H H 72 8.557 8.557 8.080 0.477 25848 4606 1 12 . 1 1 73 73 ALA N N 73 130.318 130.318 125.596 4.722 25848 4607 1 12 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.805 -0.345 25848 4608 1 12 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.547 0.050 25848 4609 1 12 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.273 1.261 25848 4610 1 12 . 1 1 73 73 ALA H H 73 9.629 9.629 8.800 0.829 25848 4611 1 12 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.499 0.001 25848 4612 1 12 . 1 1 74 74 PRO C C 74 176.504 176.504 176.532 -0.028 25848 4613 1 12 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.984 1.234 25848 4614 1 12 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.247 -0.344 25848 4615 1 12 . 1 1 75 75 ILE N N 75 122.019 122.019 114.162 7.857 25848 4616 1 12 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.284 -0.340 25848 4617 1 12 . 1 1 75 75 ILE C C 75 175.793 175.793 176.084 -0.291 25848 4618 1 12 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.626 0.721 25848 4619 1 12 . 1 1 75 75 ILE CB C 75 38.969 38.969 38.002 0.967 25848 4620 1 12 . 1 1 75 75 ILE H H 75 7.769 7.769 7.979 -0.210 25848 4621 1 13 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.794 -0.083 25848 4622 1 13 . 1 1 2 2 ASN C C 2 174.785 174.785 174.904 -0.119 25848 4623 1 13 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.015 -0.195 25848 4624 1 13 . 1 1 3 3 GLU N N 3 121.744 121.744 121.894 -0.150 25848 4625 1 13 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.592 -0.244 25848 4626 1 13 . 1 1 3 3 GLU C C 3 176.060 176.060 176.154 -0.094 25848 4627 1 13 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.113 0.154 25848 4628 1 13 . 1 1 3 3 GLU CB C 3 30.187 30.187 31.270 -1.083 25848 4629 1 13 . 1 1 3 3 GLU H H 3 8.470 8.470 8.699 -0.229 25848 4630 1 13 . 1 1 4 4 CYS N N 4 119.765 119.765 116.435 3.330 25848 4631 1 13 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.804 -0.007 25848 4632 1 13 . 1 1 4 4 CYS C C 4 173.263 173.263 174.925 -1.662 25848 4633 1 13 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.747 12.554 25848 4634 1 13 . 1 1 4 4 CYS H H 4 8.317 8.317 8.530 -0.213 25848 4635 1 13 . 1 1 5 5 ILE N N 5 122.940 122.940 123.595 -0.655 25848 4636 1 13 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.073 -0.185 25848 4637 1 13 . 1 1 5 5 ILE C C 5 173.890 173.890 175.912 -2.022 25848 4638 1 13 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.772 0.744 25848 4639 1 13 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.222 1.058 25848 4640 1 13 . 1 1 5 5 ILE H H 5 8.912 8.912 8.124 0.788 25848 4641 1 13 . 1 1 6 6 ARG N N 6 125.981 125.981 127.211 -1.230 25848 4642 1 13 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.108 -0.246 25848 4643 1 13 . 1 1 6 6 ARG C C 6 174.259 174.259 176.012 -1.753 25848 4644 1 13 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.501 -0.483 25848 4645 1 13 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.622 1.155 25848 4646 1 13 . 1 1 6 6 ARG H H 6 7.528 7.528 8.428 -0.900 25848 4647 1 13 . 1 1 7 7 LYS N N 7 116.267 116.267 121.602 -5.335 25848 4648 1 13 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.960 -0.674 25848 4649 1 13 . 1 1 7 7 LYS C C 7 175.417 175.417 176.778 -1.361 25848 4650 1 13 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.178 1.145 25848 4651 1 13 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.863 -0.192 25848 4652 1 13 . 1 1 7 7 LYS H H 7 7.558 7.558 8.329 -0.771 25848 4653 1 13 . 1 1 8 8 TRP N N 8 115.300 115.300 122.827 -7.527 25848 4654 1 13 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.344 -0.084 25848 4655 1 13 . 1 1 8 8 TRP C C 8 175.069 175.069 175.405 -0.336 25848 4656 1 13 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.010 -0.002 25848 4657 1 13 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.878 0.809 25848 4658 1 13 . 1 1 8 8 TRP H H 8 9.357 9.357 8.131 1.226 25848 4659 1 13 . 1 1 9 9 LEU N N 9 120.240 120.240 121.153 -0.913 25848 4660 1 13 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.696 0.001 25848 4661 1 13 . 1 1 9 9 LEU C C 9 176.636 176.636 175.961 0.675 25848 4662 1 13 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.067 -1.819 25848 4663 1 13 . 1 1 9 9 LEU H H 9 7.701 7.701 8.049 -0.348 25848 4664 1 13 . 1 1 10 10 SER N N 10 110.077 110.077 109.744 0.333 25848 4665 1 13 . 1 1 10 10 SER HA H 10 4.704 4.704 4.709 -0.005 25848 4666 1 13 . 1 1 10 10 SER CB C 10 64.064 64.064 63.018 1.046 25848 4667 1 13 . 1 1 10 10 SER H H 10 8.148 8.148 8.060 0.088 25848 4668 1 13 . 1 1 11 11 CYS N N 11 121.141 121.141 124.546 -3.405 25848 4669 1 13 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.635 0.235 25848 4670 1 13 . 1 1 11 11 CYS CB C 11 44.031 44.031 26.414 17.617 25848 4671 1 13 . 1 1 11 11 CYS H H 11 8.580 8.580 8.865 -0.285 25848 4672 1 13 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.750 -0.185 25848 4673 1 13 . 1 1 12 12 VAL CA C 12 65.197 65.197 64.858 0.339 25848 4674 1 13 . 1 1 12 12 VAL H H 12 7.776 7.776 7.769 0.007 25848 4675 1 13 . 1 1 15 15 LYS N N 15 117.195 117.195 124.905 -7.710 25848 4676 1 13 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.154 0.205 25848 4677 1 13 . 1 1 15 15 LYS C C 15 177.505 177.505 178.263 -0.758 25848 4678 1 13 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.863 0.579 25848 4679 1 13 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.531 0.040 25848 4680 1 13 . 1 1 15 15 LYS H H 15 7.936 7.936 8.733 -0.797 25848 4681 1 13 . 1 1 16 16 ASN N N 16 115.005 115.005 117.566 -2.561 25848 4682 1 13 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.519 0.556 25848 4683 1 13 . 1 1 16 16 ASN C C 16 176.707 176.707 175.477 1.230 25848 4684 1 13 . 1 1 16 16 ASN CA C 16 53.010 53.010 55.104 -2.094 25848 4685 1 13 . 1 1 16 16 ASN CB C 16 39.169 39.169 37.662 1.507 25848 4686 1 13 . 1 1 16 16 ASN H H 16 8.644 8.644 8.424 0.221 25848 4687 1 13 . 1 1 17 17 ASP N N 17 118.040 118.040 118.340 -0.300 25848 4688 1 13 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.755 0.108 25848 4689 1 13 . 1 1 17 17 ASP C C 17 176.756 176.756 175.781 0.975 25848 4690 1 13 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.426 0.584 25848 4691 1 13 . 1 1 17 17 ASP H H 17 7.592 7.592 7.692 -0.100 25848 4692 1 13 . 1 1 18 18 CYS N N 18 119.499 119.499 118.143 1.356 25848 4693 1 13 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.273 0.627 25848 4694 1 13 . 1 1 18 18 CYS C C 18 176.186 176.186 174.457 1.729 25848 4695 1 13 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.593 11.293 25848 4696 1 13 . 1 1 18 18 CYS H H 18 8.729 8.729 7.677 1.052 25848 4697 1 13 . 1 1 19 19 CYS N N 19 120.655 120.655 112.481 8.174 25848 4698 1 13 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.367 0.048 25848 4699 1 13 . 1 1 19 19 CYS C C 19 171.719 171.719 172.858 -1.139 25848 4700 1 13 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.017 -3.447 25848 4701 1 13 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.842 11.075 25848 4702 1 13 . 1 1 19 19 CYS H H 19 9.086 9.086 8.015 1.071 25848 4703 1 13 . 1 1 20 20 GLU N N 20 118.445 118.445 123.080 -4.635 25848 4704 1 13 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.342 -0.411 25848 4705 1 13 . 1 1 20 20 GLU C C 20 176.509 176.509 176.379 0.130 25848 4706 1 13 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.556 1.264 25848 4707 1 13 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.856 0.047 25848 4708 1 13 . 1 1 20 20 GLU H H 20 8.155 8.155 8.881 -0.726 25848 4709 1 13 . 1 1 21 21 GLY N N 21 113.662 113.662 112.996 0.666 25848 4710 1 13 . 1 1 21 21 GLY C C 21 172.614 172.614 172.717 -0.103 25848 4711 1 13 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.277 -0.746 25848 4712 1 13 . 1 1 21 21 GLY H H 21 8.719 8.719 8.487 0.232 25848 4713 1 13 . 1 1 22 22 LEU N N 22 120.372 120.372 118.421 1.951 25848 4714 1 13 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.136 -0.055 25848 4715 1 13 . 1 1 22 22 LEU C C 22 174.927 174.927 175.781 -0.854 25848 4716 1 13 . 1 1 22 22 LEU CA C 22 52.450 52.450 52.670 -0.220 25848 4717 1 13 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.798 -1.287 25848 4718 1 13 . 1 1 22 22 LEU H H 22 7.641 7.641 7.225 0.416 25848 4719 1 13 . 1 1 23 23 GLU N N 23 117.193 117.193 118.670 -1.477 25848 4720 1 13 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.556 0.152 25848 4721 1 13 . 1 1 23 23 GLU C C 23 173.821 173.821 174.924 -1.103 25848 4722 1 13 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.839 -1.507 25848 4723 1 13 . 1 1 23 23 GLU CB C 23 32.486 32.486 34.288 -1.802 25848 4724 1 13 . 1 1 23 23 GLU H H 23 9.299 9.299 8.430 0.869 25848 4725 1 13 . 1 1 24 24 CYS N N 24 123.260 123.260 127.119 -3.859 25848 4726 1 13 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.368 0.433 25848 4727 1 13 . 1 1 24 24 CYS CB C 24 40.295 40.295 25.521 14.774 25848 4728 1 13 . 1 1 24 24 CYS H H 24 8.953 8.953 8.836 0.117 25848 4729 1 13 . 1 1 25 25 TYR N N 25 134.523 134.523 130.031 4.492 25848 4730 1 13 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.623 0.190 25848 4731 1 13 . 1 1 25 25 TYR C C 25 173.768 173.768 174.435 -0.667 25848 4732 1 13 . 1 1 25 25 TYR CB C 25 43.346 43.346 42.262 1.084 25848 4733 1 13 . 1 1 25 25 TYR H H 25 9.338 9.338 8.581 0.757 25848 4734 1 13 . 1 1 26 26 LYS N N 26 127.496 127.496 124.434 3.062 25848 4735 1 13 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.375 -0.279 25848 4736 1 13 . 1 1 26 26 LYS C C 26 174.360 174.360 175.163 -0.803 25848 4737 1 13 . 1 1 26 26 LYS CA C 26 55.938 55.938 54.661 1.277 25848 4738 1 13 . 1 1 26 26 LYS CB C 26 32.667 32.667 32.483 0.184 25848 4739 1 13 . 1 1 26 26 LYS H H 26 8.176 8.176 7.385 0.791 25848 4740 1 13 . 1 1 27 27 ARG N N 27 125.899 125.899 124.159 1.740 25848 4741 1 13 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.374 -0.149 25848 4742 1 13 . 1 1 27 27 ARG C C 27 174.385 174.385 177.058 -2.673 25848 4743 1 13 . 1 1 27 27 ARG CA C 27 55.989 55.989 57.006 -1.017 25848 4744 1 13 . 1 1 27 27 ARG CB C 27 32.009 32.009 30.527 1.482 25848 4745 1 13 . 1 1 27 27 ARG H H 27 7.493 7.493 8.320 -0.827 25848 4746 1 13 . 1 1 28 28 ARG N N 28 121.214 121.214 120.751 0.463 25848 4747 1 13 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.119 -0.207 25848 4748 1 13 . 1 1 28 28 ARG C C 28 176.613 176.613 176.737 -0.124 25848 4749 1 13 . 1 1 28 28 ARG CA C 28 57.614 57.614 58.064 -0.450 25848 4750 1 13 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.816 -1.141 25848 4751 1 13 . 1 1 28 28 ARG H H 28 8.519 8.519 8.531 -0.012 25848 4752 1 13 . 1 1 29 29 HIS N N 29 116.413 116.413 116.118 0.295 25848 4753 1 13 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.826 -0.346 25848 4754 1 13 . 1 1 29 29 HIS C C 29 174.166 174.166 174.756 -0.590 25848 4755 1 13 . 1 1 29 29 HIS CA C 29 56.020 56.020 56.276 -0.257 25848 4756 1 13 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.223 -2.089 25848 4757 1 13 . 1 1 29 29 HIS H H 29 8.771 8.771 8.465 0.306 25848 4758 1 13 . 1 1 30 30 SER N N 30 113.403 113.403 115.635 -2.232 25848 4759 1 13 . 1 1 30 30 SER HA H 30 4.469 4.469 4.718 -0.249 25848 4760 1 13 . 1 1 30 30 SER C C 30 173.332 173.332 173.239 0.093 25848 4761 1 13 . 1 1 30 30 SER CA C 30 57.257 57.257 58.407 -1.150 25848 4762 1 13 . 1 1 30 30 SER CB C 30 63.559 63.559 64.475 -0.916 25848 4763 1 13 . 1 1 30 30 SER H H 30 7.826 7.826 8.158 -0.332 25848 4764 1 13 . 1 1 31 31 PHE N N 31 118.662 118.662 116.102 2.560 25848 4765 1 13 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.715 0.078 25848 4766 1 13 . 1 1 31 31 PHE CB C 31 40.312 40.312 40.639 -0.327 25848 4767 1 13 . 1 1 31 31 PHE H H 31 7.801 7.801 7.415 0.386 25848 4768 1 13 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.547 0.063 25848 4769 1 13 . 1 1 32 32 GLU CB C 32 30.289 30.289 29.940 0.349 25848 4770 1 13 . 1 1 33 33 VAL N N 33 121.027 121.027 120.948 0.079 25848 4771 1 13 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.537 0.564 25848 4772 1 13 . 1 1 33 33 VAL C C 33 175.754 175.754 175.395 0.359 25848 4773 1 13 . 1 1 33 33 VAL CA C 33 58.545 58.545 60.985 -2.440 25848 4774 1 13 . 1 1 33 33 VAL CB C 33 37.464 37.464 36.758 0.706 25848 4775 1 13 . 1 1 33 33 VAL H H 33 8.581 8.581 8.557 0.024 25848 4776 1 13 . 1 1 34 34 CYS N N 34 119.365 119.365 123.512 -4.147 25848 4777 1 13 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.748 0.316 25848 4778 1 13 . 1 1 34 34 CYS C C 34 174.853 174.853 174.731 0.122 25848 4779 1 13 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.855 -5.160 25848 4780 1 13 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.692 14.282 25848 4781 1 13 . 1 1 34 34 CYS H H 34 7.968 7.968 8.876 -0.908 25848 4782 1 13 . 1 1 35 35 VAL N N 35 122.141 122.141 117.324 4.817 25848 4783 1 13 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.086 0.382 25848 4784 1 13 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.298 0.732 25848 4785 1 13 . 1 1 35 35 VAL CB C 35 33.216 33.216 32.865 0.351 25848 4786 1 13 . 1 1 35 35 VAL H H 35 9.611 9.611 8.760 0.851 25848 4787 1 13 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.582 -0.184 25848 4788 1 13 . 1 1 36 36 PRO C C 36 176.509 176.509 176.609 -0.100 25848 4789 1 13 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.282 1.038 25848 4790 1 13 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.757 0.355 25848 4791 1 13 . 1 1 37 37 ILE N N 37 125.294 125.294 126.444 -1.150 25848 4792 1 13 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.322 -0.191 25848 4793 1 13 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.079 0.711 25848 4794 1 13 . 1 1 37 37 ILE CB C 37 39.566 39.566 37.757 1.809 25848 4795 1 13 . 1 1 37 37 ILE H H 37 7.927 7.927 7.847 0.080 25848 4796 1 13 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.480 -0.143 25848 4797 1 13 . 1 1 38 38 PRO C C 38 177.800 177.800 177.916 -0.116 25848 4798 1 13 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.499 0.595 25848 4799 1 13 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.487 0.244 25848 4800 1 13 . 1 1 39 39 GLY N N 39 112.745 112.745 112.902 -0.157 25848 4801 1 13 . 1 1 39 39 GLY C C 39 174.463 174.463 174.143 0.320 25848 4802 1 13 . 1 1 39 39 GLY CA C 39 45.463 45.463 44.751 0.712 25848 4803 1 13 . 1 1 39 39 GLY H H 39 8.843 8.843 8.788 0.055 25848 4804 1 13 . 1 1 40 40 PHE N N 40 120.803 120.803 121.371 -0.568 25848 4805 1 13 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.429 -0.108 25848 4806 1 13 . 1 1 40 40 PHE C C 40 174.706 174.706 174.203 0.503 25848 4807 1 13 . 1 1 40 40 PHE CA C 40 59.668 59.668 58.966 0.702 25848 4808 1 13 . 1 1 40 40 PHE CB C 40 39.815 39.815 40.152 -0.337 25848 4809 1 13 . 1 1 40 40 PHE H H 40 7.762 7.762 7.644 0.118 25848 4810 1 13 . 1 1 41 41 CYS N N 41 120.807 120.807 121.972 -1.165 25848 4811 1 13 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.774 -0.200 25848 4812 1 13 . 1 1 41 41 CYS C C 41 171.732 171.732 171.992 -0.260 25848 4813 1 13 . 1 1 41 41 CYS CA C 41 53.666 53.666 56.148 -2.482 25848 4814 1 13 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.487 13.622 25848 4815 1 13 . 1 1 41 41 CYS H H 41 7.040 7.040 7.445 -0.405 25848 4816 1 13 . 1 1 42 42 LEU N N 42 119.987 119.987 119.054 0.933 25848 4817 1 13 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.841 -0.569 25848 4818 1 13 . 1 1 42 42 LEU C C 42 173.872 173.872 176.161 -2.289 25848 4819 1 13 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.485 0.518 25848 4820 1 13 . 1 1 42 42 LEU CB C 42 43.826 43.826 45.197 -1.371 25848 4821 1 13 . 1 1 42 42 LEU H H 42 8.728 8.728 8.128 0.600 25848 4822 1 13 . 1 1 43 43 VAL N N 43 115.632 115.632 115.607 0.025 25848 4823 1 13 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.434 -0.626 25848 4824 1 13 . 1 1 43 43 VAL C C 43 173.751 173.751 175.817 -2.066 25848 4825 1 13 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.719 -0.462 25848 4826 1 13 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.005 -1.148 25848 4827 1 13 . 1 1 43 43 VAL H H 43 7.192 7.192 8.079 -0.887 25848 4828 1 13 . 1 1 44 44 LYS N N 44 117.023 117.023 117.479 -0.456 25848 4829 1 13 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.277 -1.047 25848 4830 1 13 . 1 1 44 44 LYS C C 44 176.385 176.385 175.590 0.795 25848 4831 1 13 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.466 0.307 25848 4832 1 13 . 1 1 44 44 LYS CB C 44 32.031 32.031 32.099 -0.068 25848 4833 1 13 . 1 1 44 44 LYS H H 44 7.531 7.531 8.684 -1.153 25848 4834 1 13 . 1 1 45 45 TRP N N 45 117.377 117.377 118.638 -1.261 25848 4835 1 13 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.794 -0.347 25848 4836 1 13 . 1 1 45 45 TRP C C 45 175.675 175.675 175.005 0.670 25848 4837 1 13 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.500 1.521 25848 4838 1 13 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.779 -2.784 25848 4839 1 13 . 1 1 45 45 TRP H H 45 9.364 9.364 7.770 1.594 25848 4840 1 13 . 1 1 46 46 LYS N N 46 119.913 119.913 119.948 -0.035 25848 4841 1 13 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.757 -0.367 25848 4842 1 13 . 1 1 46 46 LYS C C 46 176.776 176.776 176.008 0.768 25848 4843 1 13 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.716 0.445 25848 4844 1 13 . 1 1 46 46 LYS CB C 46 33.666 33.666 34.971 -1.305 25848 4845 1 13 . 1 1 46 46 LYS H H 46 7.985 7.985 7.477 0.508 25848 4846 1 13 . 1 1 47 47 GLN N N 47 121.031 121.031 120.150 0.881 25848 4847 1 13 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.323 0.556 25848 4848 1 13 . 1 1 47 47 GLN C C 47 177.118 177.118 176.739 0.379 25848 4849 1 13 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.997 -0.442 25848 4850 1 13 . 1 1 47 47 GLN H H 47 8.623 8.623 8.759 -0.136 25848 4851 1 13 . 1 1 48 48 CYS N N 48 115.456 115.456 119.265 -3.809 25848 4852 1 13 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.732 0.024 25848 4853 1 13 . 1 1 48 48 CYS C C 48 173.978 173.978 175.340 -1.362 25848 4854 1 13 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.553 14.436 25848 4855 1 13 . 1 1 48 48 CYS H H 48 8.365 8.365 8.560 -0.195 25848 4856 1 13 . 1 1 49 49 ASP N N 49 123.208 123.208 123.796 -0.588 25848 4857 1 13 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.292 0.156 25848 4858 1 13 . 1 1 49 49 ASP C C 49 177.773 177.773 177.420 0.353 25848 4859 1 13 . 1 1 49 49 ASP CA C 49 56.988 56.988 55.806 1.182 25848 4860 1 13 . 1 1 49 49 ASP CB C 49 41.080 41.080 39.958 1.122 25848 4861 1 13 . 1 1 49 49 ASP H H 49 7.839 7.839 7.608 0.231 25848 4862 1 13 . 1 1 50 50 GLY N N 50 115.583 115.583 115.012 0.571 25848 4863 1 13 . 1 1 50 50 GLY C C 50 173.522 173.522 174.837 -1.315 25848 4864 1 13 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.399 0.885 25848 4865 1 13 . 1 1 50 50 GLY H H 50 9.371 9.371 9.091 0.280 25848 4866 1 13 . 1 1 51 51 ARG N N 51 122.794 122.794 122.333 0.461 25848 4867 1 13 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.636 0.022 25848 4868 1 13 . 1 1 51 51 ARG C C 51 176.977 176.977 176.906 0.071 25848 4869 1 13 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.873 -0.121 25848 4870 1 13 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.799 1.284 25848 4871 1 13 . 1 1 51 51 ARG H H 51 8.199 8.199 8.045 0.154 25848 4872 1 13 . 1 1 52 52 GLU N N 52 117.957 117.957 118.394 -0.437 25848 4873 1 13 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.128 -0.054 25848 4874 1 13 . 1 1 52 52 GLU C C 52 178.254 178.254 176.484 1.770 25848 4875 1 13 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.587 2.643 25848 4876 1 13 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.152 -0.344 25848 4877 1 13 . 1 1 52 52 GLU H H 52 8.992 8.992 8.631 0.361 25848 4878 1 13 . 1 1 53 53 ARG N N 53 116.423 116.423 117.047 -0.624 25848 4879 1 13 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.560 0.004 25848 4880 1 13 . 1 1 53 53 ARG C C 53 177.327 177.327 175.309 2.018 25848 4881 1 13 . 1 1 53 53 ARG CA C 53 55.480 55.480 56.030 -0.550 25848 4882 1 13 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.194 -0.929 25848 4883 1 13 . 1 1 53 53 ARG H H 53 8.513 8.513 7.972 0.541 25848 4884 1 13 . 1 1 54 54 ASP N N 54 118.043 118.043 120.078 -2.035 25848 4885 1 13 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.827 -0.012 25848 4886 1 13 . 1 1 54 54 ASP C C 54 176.941 176.941 175.302 1.639 25848 4887 1 13 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.762 -3.015 25848 4888 1 13 . 1 1 54 54 ASP H H 54 7.933 7.933 8.023 -0.090 25848 4889 1 13 . 1 1 55 55 CYS N N 55 118.999 118.999 118.470 0.529 25848 4890 1 13 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.189 0.788 25848 4891 1 13 . 1 1 55 55 CYS C C 55 175.757 175.757 175.405 0.352 25848 4892 1 13 . 1 1 55 55 CYS CA C 55 55.989 55.989 61.000 -5.011 25848 4893 1 13 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.257 11.177 25848 4894 1 13 . 1 1 55 55 CYS H H 55 8.222 8.222 7.612 0.610 25848 4895 1 13 . 1 1 56 56 CYS N N 56 121.139 121.139 120.093 1.046 25848 4896 1 13 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.319 0.015 25848 4897 1 13 . 1 1 56 56 CYS C C 56 171.957 171.957 175.588 -3.631 25848 4898 1 13 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.873 -5.382 25848 4899 1 13 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.327 12.686 25848 4900 1 13 . 1 1 56 56 CYS H H 56 8.999 8.999 8.105 0.894 25848 4901 1 13 . 1 1 57 57 ALA N N 57 120.553 120.553 124.539 -3.986 25848 4902 1 13 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.143 -0.070 25848 4903 1 13 . 1 1 57 57 ALA C C 57 178.248 178.248 178.331 -0.083 25848 4904 1 13 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.264 0.500 25848 4905 1 13 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.460 -0.063 25848 4906 1 13 . 1 1 57 57 ALA H H 57 8.084 8.084 8.546 -0.462 25848 4907 1 13 . 1 1 58 58 GLY N N 58 110.247 110.247 111.530 -1.283 25848 4908 1 13 . 1 1 58 58 GLY C C 58 173.204 173.204 174.015 -0.811 25848 4909 1 13 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.788 -0.030 25848 4910 1 13 . 1 1 58 58 GLY H H 58 8.713 8.713 8.589 0.124 25848 4911 1 13 . 1 1 59 59 LEU N N 59 120.155 120.155 121.439 -1.284 25848 4912 1 13 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.622 0.344 25848 4913 1 13 . 1 1 59 59 LEU C C 59 175.349 175.349 176.027 -0.678 25848 4914 1 13 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.610 -2.165 25848 4915 1 13 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.561 0.923 25848 4916 1 13 . 1 1 59 59 LEU H H 59 7.901 7.901 7.375 0.526 25848 4917 1 13 . 1 1 60 60 GLU N N 60 117.726 117.726 114.460 3.266 25848 4918 1 13 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.506 0.173 25848 4919 1 13 . 1 1 60 60 GLU C C 60 174.016 174.016 174.658 -0.642 25848 4920 1 13 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.265 0.330 25848 4921 1 13 . 1 1 60 60 GLU H H 60 9.145 9.145 8.152 0.993 25848 4922 1 13 . 1 1 61 61 CYS N N 61 122.299 122.299 122.644 -0.345 25848 4923 1 13 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.425 0.421 25848 4924 1 13 . 1 1 61 61 CYS C C 61 173.374 173.374 174.881 -1.507 25848 4925 1 13 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.377 14.097 25848 4926 1 13 . 1 1 61 61 CYS H H 61 9.064 9.064 9.008 0.056 25848 4927 1 13 . 1 1 62 62 TRP N N 62 135.668 135.668 130.881 4.787 25848 4928 1 13 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.573 0.325 25848 4929 1 13 . 1 1 62 62 TRP C C 62 174.430 174.430 174.865 -0.435 25848 4930 1 13 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.197 1.269 25848 4931 1 13 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.902 0.083 25848 4932 1 13 . 1 1 62 62 TRP H H 62 9.434 9.434 8.478 0.956 25848 4933 1 13 . 1 1 63 63 LYS N N 63 128.624 128.624 128.148 0.476 25848 4934 1 13 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.336 0.011 25848 4935 1 13 . 1 1 63 63 LYS C C 63 175.409 175.409 175.578 -0.169 25848 4936 1 13 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.140 0.481 25848 4937 1 13 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.271 0.247 25848 4938 1 13 . 1 1 63 63 LYS H H 63 8.392 8.392 8.562 -0.170 25848 4939 1 13 . 1 1 64 64 ARG N N 64 125.507 125.507 124.535 0.972 25848 4940 1 13 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.287 -0.352 25848 4941 1 13 . 1 1 64 64 ARG C C 64 175.704 175.704 174.798 0.906 25848 4942 1 13 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.304 0.550 25848 4943 1 13 . 1 1 64 64 ARG CB C 64 32.496 32.496 31.965 0.531 25848 4944 1 13 . 1 1 64 64 ARG H H 64 7.877 7.877 8.063 -0.186 25848 4945 1 13 . 1 1 65 65 SER N N 65 115.709 115.709 119.451 -3.742 25848 4946 1 13 . 1 1 65 65 SER HA H 65 4.306 4.306 4.710 -0.404 25848 4947 1 13 . 1 1 65 65 SER C C 65 175.289 175.289 175.164 0.125 25848 4948 1 13 . 1 1 65 65 SER CA C 65 58.778 58.778 57.559 1.219 25848 4949 1 13 . 1 1 65 65 SER CB C 65 63.667 63.667 64.696 -1.029 25848 4950 1 13 . 1 1 65 65 SER H H 65 8.198 8.198 8.294 -0.096 25848 4951 1 13 . 1 1 66 66 GLY N N 66 110.671 110.671 113.768 -3.097 25848 4952 1 13 . 1 1 66 66 GLY C C 66 174.634 174.634 174.745 -0.111 25848 4953 1 13 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.071 1.009 25848 4954 1 13 . 1 1 66 66 GLY H H 66 8.675 8.675 8.645 0.030 25848 4955 1 13 . 1 1 67 67 ASN N N 67 118.608 118.608 118.128 0.480 25848 4956 1 13 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.876 -0.214 25848 4957 1 13 . 1 1 67 67 ASN C C 67 175.108 175.108 175.693 -0.585 25848 4958 1 13 . 1 1 67 67 ASN CA C 67 52.755 52.755 54.142 -1.387 25848 4959 1 13 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.299 -0.799 25848 4960 1 13 . 1 1 67 67 ASN H H 67 8.374 8.374 8.326 0.048 25848 4961 1 13 . 1 1 68 68 LYS N N 68 119.218 119.218 118.942 0.276 25848 4962 1 13 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.430 -0.100 25848 4963 1 13 . 1 1 68 68 LYS C C 68 176.405 176.405 175.226 1.179 25848 4964 1 13 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.275 1.132 25848 4965 1 13 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.408 -0.501 25848 4966 1 13 . 1 1 68 68 LYS H H 68 7.816 7.816 7.737 0.079 25848 4967 1 13 . 1 1 69 69 SER N N 69 115.165 115.165 115.569 -0.404 25848 4968 1 13 . 1 1 69 69 SER HA H 69 4.615 4.615 4.407 0.208 25848 4969 1 13 . 1 1 69 69 SER C C 69 174.381 174.381 174.199 0.182 25848 4970 1 13 . 1 1 69 69 SER CA C 69 57.773 57.773 58.748 -0.975 25848 4971 1 13 . 1 1 69 69 SER CB C 69 64.533 64.533 63.748 0.785 25848 4972 1 13 . 1 1 69 69 SER H H 69 8.176 8.176 8.306 -0.130 25848 4973 1 13 . 1 1 70 70 SER N N 70 121.583 121.583 116.803 4.780 25848 4974 1 13 . 1 1 70 70 SER HA H 70 5.011 5.011 4.328 0.683 25848 4975 1 13 . 1 1 70 70 SER C C 70 175.256 175.256 174.361 0.895 25848 4976 1 13 . 1 1 70 70 SER CA C 70 58.455 58.455 58.741 -0.286 25848 4977 1 13 . 1 1 70 70 SER CB C 70 63.987 63.987 62.988 0.999 25848 4978 1 13 . 1 1 70 70 SER H H 70 9.539 9.539 8.343 1.196 25848 4979 1 13 . 1 1 71 71 VAL N N 71 115.977 115.977 118.580 -2.603 25848 4980 1 13 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.906 0.432 25848 4981 1 13 . 1 1 71 71 VAL C C 71 176.220 176.220 174.959 1.261 25848 4982 1 13 . 1 1 71 71 VAL CA C 71 58.655 58.655 58.709 -0.054 25848 4983 1 13 . 1 1 71 71 VAL CB C 71 37.422 37.422 33.973 3.449 25848 4984 1 13 . 1 1 71 71 VAL H H 71 8.502 8.502 7.851 0.651 25848 4985 1 13 . 1 1 72 72 CYS N N 72 120.794 120.794 118.559 2.235 25848 4986 1 13 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.520 -0.495 25848 4987 1 13 . 1 1 72 72 CYS C C 72 174.142 174.142 174.482 -0.340 25848 4988 1 13 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.791 -3.326 25848 4989 1 13 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.307 9.151 25848 4990 1 13 . 1 1 72 72 CYS H H 72 8.557 8.557 8.099 0.458 25848 4991 1 13 . 1 1 73 73 ALA N N 73 130.318 130.318 125.647 4.671 25848 4992 1 13 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.837 -0.377 25848 4993 1 13 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.566 0.031 25848 4994 1 13 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.293 1.241 25848 4995 1 13 . 1 1 73 73 ALA H H 73 9.629 9.629 8.796 0.833 25848 4996 1 13 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.566 -0.066 25848 4997 1 13 . 1 1 74 74 PRO C C 74 176.504 176.504 177.126 -0.622 25848 4998 1 13 . 1 1 74 74 PRO CA C 74 63.219 63.219 62.232 0.987 25848 4999 1 13 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.437 -0.534 25848 5000 1 13 . 1 1 75 75 ILE N N 75 122.019 122.019 113.657 8.362 25848 5001 1 13 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.275 -0.331 25848 5002 1 13 . 1 1 75 75 ILE C C 75 175.793 175.793 175.811 -0.018 25848 5003 1 13 . 1 1 75 75 ILE CA C 75 62.346 62.346 62.256 0.090 25848 5004 1 13 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.972 0.997 25848 5005 1 13 . 1 1 75 75 ILE H H 75 7.769 7.769 7.760 0.009 25848 5006 1 14 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.913 -0.202 25848 5007 1 14 . 1 1 2 2 ASN C C 2 174.785 174.785 174.719 0.066 25848 5008 1 14 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.584 -0.764 25848 5009 1 14 . 1 1 3 3 GLU N N 3 121.744 121.744 122.654 -0.910 25848 5010 1 14 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.321 0.027 25848 5011 1 14 . 1 1 3 3 GLU C C 3 176.060 176.060 176.343 -0.283 25848 5012 1 14 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.644 -0.377 25848 5013 1 14 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.589 -0.402 25848 5014 1 14 . 1 1 3 3 GLU H H 3 8.470 8.470 8.551 -0.081 25848 5015 1 14 . 1 1 4 4 CYS N N 4 119.765 119.765 116.407 3.358 25848 5016 1 14 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.676 0.121 25848 5017 1 14 . 1 1 4 4 CYS C C 4 173.263 173.263 175.273 -2.010 25848 5018 1 14 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.580 12.721 25848 5019 1 14 . 1 1 4 4 CYS H H 4 8.317 8.317 8.424 -0.107 25848 5020 1 14 . 1 1 5 5 ILE N N 5 122.940 122.940 123.581 -0.641 25848 5021 1 14 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.027 -0.139 25848 5022 1 14 . 1 1 5 5 ILE C C 5 173.890 173.890 175.971 -2.081 25848 5023 1 14 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.843 0.673 25848 5024 1 14 . 1 1 5 5 ILE CB C 5 39.280 39.280 37.779 1.501 25848 5025 1 14 . 1 1 5 5 ILE H H 5 8.912 8.912 8.086 0.826 25848 5026 1 14 . 1 1 6 6 ARG N N 6 125.981 125.981 127.544 -1.563 25848 5027 1 14 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.092 -0.230 25848 5028 1 14 . 1 1 6 6 ARG C C 6 174.259 174.259 176.080 -1.821 25848 5029 1 14 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.737 -0.719 25848 5030 1 14 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.693 1.084 25848 5031 1 14 . 1 1 6 6 ARG H H 6 7.528 7.528 8.388 -0.860 25848 5032 1 14 . 1 1 7 7 LYS N N 7 116.267 116.267 121.986 -5.719 25848 5033 1 14 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.931 -0.645 25848 5034 1 14 . 1 1 7 7 LYS C C 7 175.417 175.417 176.830 -1.413 25848 5035 1 14 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.119 1.204 25848 5036 1 14 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.929 -0.258 25848 5037 1 14 . 1 1 7 7 LYS H H 7 7.558 7.558 8.321 -0.763 25848 5038 1 14 . 1 1 8 8 TRP N N 8 115.300 115.300 122.298 -6.998 25848 5039 1 14 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.328 -0.068 25848 5040 1 14 . 1 1 8 8 TRP C C 8 175.069 175.069 175.580 -0.511 25848 5041 1 14 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.193 -0.185 25848 5042 1 14 . 1 1 8 8 TRP CB C 8 27.687 27.687 27.147 0.540 25848 5043 1 14 . 1 1 8 8 TRP H H 8 9.357 9.357 8.180 1.177 25848 5044 1 14 . 1 1 9 9 LEU N N 9 120.240 120.240 120.919 -0.679 25848 5045 1 14 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.611 0.086 25848 5046 1 14 . 1 1 9 9 LEU C C 9 176.636 176.636 176.131 0.505 25848 5047 1 14 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.151 -1.903 25848 5048 1 14 . 1 1 9 9 LEU H H 9 7.701 7.701 8.039 -0.338 25848 5049 1 14 . 1 1 10 10 SER N N 10 110.077 110.077 109.700 0.377 25848 5050 1 14 . 1 1 10 10 SER HA H 10 4.704 4.704 4.671 0.033 25848 5051 1 14 . 1 1 10 10 SER CB C 10 64.064 64.064 63.912 0.152 25848 5052 1 14 . 1 1 10 10 SER H H 10 8.148 8.148 7.956 0.192 25848 5053 1 14 . 1 1 11 11 CYS N N 11 121.141 121.141 124.742 -3.601 25848 5054 1 14 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.833 0.037 25848 5055 1 14 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.639 16.392 25848 5056 1 14 . 1 1 11 11 CYS H H 11 8.580 8.580 8.577 0.003 25848 5057 1 14 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.795 -0.230 25848 5058 1 14 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.127 0.070 25848 5059 1 14 . 1 1 12 12 VAL H H 12 7.776 7.776 7.881 -0.105 25848 5060 1 14 . 1 1 15 15 LYS N N 15 117.195 117.195 122.920 -5.725 25848 5061 1 14 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.092 0.267 25848 5062 1 14 . 1 1 15 15 LYS C C 15 177.505 177.505 177.825 -0.320 25848 5063 1 14 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.328 1.115 25848 5064 1 14 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.383 0.188 25848 5065 1 14 . 1 1 15 15 LYS H H 15 7.936 7.936 8.490 -0.554 25848 5066 1 14 . 1 1 16 16 ASN N N 16 115.005 115.005 117.553 -2.548 25848 5067 1 14 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.586 0.489 25848 5068 1 14 . 1 1 16 16 ASN C C 16 176.707 176.707 175.292 1.415 25848 5069 1 14 . 1 1 16 16 ASN CA C 16 53.010 53.010 55.305 -2.295 25848 5070 1 14 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.241 0.928 25848 5071 1 14 . 1 1 16 16 ASN H H 16 8.644 8.644 8.481 0.163 25848 5072 1 14 . 1 1 17 17 ASP N N 17 118.040 118.040 118.077 -0.037 25848 5073 1 14 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.883 -0.020 25848 5074 1 14 . 1 1 17 17 ASP C C 17 176.756 176.756 175.952 0.804 25848 5075 1 14 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.575 0.435 25848 5076 1 14 . 1 1 17 17 ASP H H 17 7.592 7.592 7.854 -0.262 25848 5077 1 14 . 1 1 18 18 CYS N N 18 119.499 119.499 117.118 2.381 25848 5078 1 14 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.252 0.648 25848 5079 1 14 . 1 1 18 18 CYS C C 18 176.186 176.186 174.432 1.754 25848 5080 1 14 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.416 11.471 25848 5081 1 14 . 1 1 18 18 CYS H H 18 8.729 8.729 7.652 1.077 25848 5082 1 14 . 1 1 19 19 CYS N N 19 120.655 120.655 112.947 7.708 25848 5083 1 14 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.391 0.024 25848 5084 1 14 . 1 1 19 19 CYS C C 19 171.719 171.719 172.799 -1.080 25848 5085 1 14 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.202 -3.633 25848 5086 1 14 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.513 11.404 25848 5087 1 14 . 1 1 19 19 CYS H H 19 9.086 9.086 8.210 0.876 25848 5088 1 14 . 1 1 20 20 GLU N N 20 118.445 118.445 123.023 -4.578 25848 5089 1 14 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.337 -0.406 25848 5090 1 14 . 1 1 20 20 GLU C C 20 176.509 176.509 176.390 0.119 25848 5091 1 14 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.702 1.118 25848 5092 1 14 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.894 0.009 25848 5093 1 14 . 1 1 20 20 GLU H H 20 8.155 8.155 8.882 -0.727 25848 5094 1 14 . 1 1 21 21 GLY N N 21 113.662 113.662 112.587 1.075 25848 5095 1 14 . 1 1 21 21 GLY C C 21 172.614 172.614 172.731 -0.117 25848 5096 1 14 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.273 -0.742 25848 5097 1 14 . 1 1 21 21 GLY H H 21 8.719 8.719 8.500 0.219 25848 5098 1 14 . 1 1 22 22 LEU N N 22 120.372 120.372 119.201 1.171 25848 5099 1 14 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.046 0.035 25848 5100 1 14 . 1 1 22 22 LEU C C 22 174.927 174.927 175.667 -0.740 25848 5101 1 14 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.050 -0.600 25848 5102 1 14 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.475 -0.964 25848 5103 1 14 . 1 1 22 22 LEU H H 22 7.641 7.641 7.024 0.617 25848 5104 1 14 . 1 1 23 23 GLU N N 23 117.193 117.193 118.012 -0.819 25848 5105 1 14 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.690 0.018 25848 5106 1 14 . 1 1 23 23 GLU C C 23 173.821 173.821 174.353 -0.532 25848 5107 1 14 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.177 -0.845 25848 5108 1 14 . 1 1 23 23 GLU CB C 23 32.486 32.486 32.748 -0.262 25848 5109 1 14 . 1 1 23 23 GLU H H 23 9.299 9.299 8.681 0.618 25848 5110 1 14 . 1 1 24 24 CYS N N 24 123.260 123.260 119.140 4.120 25848 5111 1 14 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.488 0.313 25848 5112 1 14 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.517 13.778 25848 5113 1 14 . 1 1 24 24 CYS H H 24 8.953 8.953 8.440 0.513 25848 5114 1 14 . 1 1 25 25 TYR N N 25 134.523 134.523 128.652 5.871 25848 5115 1 14 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.657 0.156 25848 5116 1 14 . 1 1 25 25 TYR C C 25 173.768 173.768 174.425 -0.657 25848 5117 1 14 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.763 1.583 25848 5118 1 14 . 1 1 25 25 TYR H H 25 9.338 9.338 8.226 1.111 25848 5119 1 14 . 1 1 26 26 LYS N N 26 127.496 127.496 121.265 6.231 25848 5120 1 14 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.432 -0.336 25848 5121 1 14 . 1 1 26 26 LYS C C 26 174.360 174.360 175.191 -0.831 25848 5122 1 14 . 1 1 26 26 LYS CA C 26 55.938 55.938 55.178 0.760 25848 5123 1 14 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.969 -1.302 25848 5124 1 14 . 1 1 26 26 LYS H H 26 8.176 8.176 7.614 0.562 25848 5125 1 14 . 1 1 27 27 ARG N N 27 125.899 125.899 124.097 1.802 25848 5126 1 14 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.655 -0.430 25848 5127 1 14 . 1 1 27 27 ARG C C 27 174.385 174.385 176.327 -1.942 25848 5128 1 14 . 1 1 27 27 ARG CA C 27 55.989 55.989 54.798 1.191 25848 5129 1 14 . 1 1 27 27 ARG CB C 27 32.009 32.009 31.733 0.276 25848 5130 1 14 . 1 1 27 27 ARG H H 27 7.493 7.493 8.628 -1.135 25848 5131 1 14 . 1 1 28 28 ARG N N 28 121.214 121.214 121.026 0.188 25848 5132 1 14 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.153 -0.241 25848 5133 1 14 . 1 1 28 28 ARG C C 28 176.613 176.613 177.034 -0.421 25848 5134 1 14 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.722 -0.108 25848 5135 1 14 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.456 -0.781 25848 5136 1 14 . 1 1 28 28 ARG H H 28 8.519 8.519 8.634 -0.115 25848 5137 1 14 . 1 1 29 29 HIS N N 29 116.413 116.413 115.829 0.584 25848 5138 1 14 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.824 -0.344 25848 5139 1 14 . 1 1 29 29 HIS C C 29 174.166 174.166 174.065 0.101 25848 5140 1 14 . 1 1 29 29 HIS CA C 29 56.020 56.020 55.855 0.165 25848 5141 1 14 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.410 -2.276 25848 5142 1 14 . 1 1 29 29 HIS H H 29 8.771 8.771 8.140 0.631 25848 5143 1 14 . 1 1 30 30 SER N N 30 113.403 113.403 116.113 -2.710 25848 5144 1 14 . 1 1 30 30 SER HA H 30 4.469 4.469 4.772 -0.303 25848 5145 1 14 . 1 1 30 30 SER C C 30 173.332 173.332 173.269 0.063 25848 5146 1 14 . 1 1 30 30 SER CA C 30 57.257 57.257 57.046 0.211 25848 5147 1 14 . 1 1 30 30 SER CB C 30 63.559 63.559 64.816 -1.256 25848 5148 1 14 . 1 1 30 30 SER H H 30 7.826 7.826 7.863 -0.037 25848 5149 1 14 . 1 1 31 31 PHE N N 31 118.662 118.662 121.768 -3.106 25848 5150 1 14 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.696 0.097 25848 5151 1 14 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.632 0.680 25848 5152 1 14 . 1 1 31 31 PHE H H 31 7.801 7.801 8.545 -0.744 25848 5153 1 14 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.529 0.081 25848 5154 1 14 . 1 1 32 32 GLU CB C 32 30.289 30.289 31.095 -0.806 25848 5155 1 14 . 1 1 33 33 VAL N N 33 121.027 121.027 114.961 6.066 25848 5156 1 14 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.636 0.465 25848 5157 1 14 . 1 1 33 33 VAL C C 33 175.754 175.754 174.862 0.892 25848 5158 1 14 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.096 -0.551 25848 5159 1 14 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.166 2.298 25848 5160 1 14 . 1 1 33 33 VAL H H 33 8.581 8.581 8.017 0.564 25848 5161 1 14 . 1 1 34 34 CYS N N 34 119.365 119.365 120.294 -0.929 25848 5162 1 14 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.792 0.272 25848 5163 1 14 . 1 1 34 34 CYS C C 34 174.853 174.853 175.153 -0.300 25848 5164 1 14 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.645 -4.950 25848 5165 1 14 . 1 1 34 34 CYS CB C 34 39.974 39.974 24.676 15.298 25848 5166 1 14 . 1 1 34 34 CYS H H 34 7.968 7.968 8.648 -0.680 25848 5167 1 14 . 1 1 35 35 VAL N N 35 122.141 122.141 118.959 3.182 25848 5168 1 14 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.283 0.185 25848 5169 1 14 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.671 0.359 25848 5170 1 14 . 1 1 35 35 VAL CB C 35 33.216 33.216 32.944 0.272 25848 5171 1 14 . 1 1 35 35 VAL H H 35 9.611 9.611 9.058 0.553 25848 5172 1 14 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.626 -0.228 25848 5173 1 14 . 1 1 36 36 PRO C C 36 176.509 176.509 176.655 -0.146 25848 5174 1 14 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.166 1.154 25848 5175 1 14 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.966 0.146 25848 5176 1 14 . 1 1 37 37 ILE N N 37 125.294 125.294 125.794 -0.500 25848 5177 1 14 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.625 -0.494 25848 5178 1 14 . 1 1 37 37 ILE CA C 37 59.790 59.790 58.903 0.888 25848 5179 1 14 . 1 1 37 37 ILE CB C 37 39.566 39.566 38.602 0.964 25848 5180 1 14 . 1 1 37 37 ILE H H 37 7.927 7.927 7.905 0.022 25848 5181 1 14 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.545 -0.208 25848 5182 1 14 . 1 1 38 38 PRO C C 38 177.800 177.800 177.549 0.251 25848 5183 1 14 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.580 0.514 25848 5184 1 14 . 1 1 38 38 PRO CB C 38 31.731 31.731 32.029 -0.298 25848 5185 1 14 . 1 1 39 39 GLY N N 39 112.745 112.745 112.266 0.479 25848 5186 1 14 . 1 1 39 39 GLY C C 39 174.463 174.463 174.809 -0.346 25848 5187 1 14 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.244 0.219 25848 5188 1 14 . 1 1 39 39 GLY H H 39 8.843 8.843 8.491 0.352 25848 5189 1 14 . 1 1 40 40 PHE N N 40 120.803 120.803 120.190 0.613 25848 5190 1 14 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.470 -0.149 25848 5191 1 14 . 1 1 40 40 PHE C C 40 174.706 174.706 174.637 0.069 25848 5192 1 14 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.201 0.467 25848 5193 1 14 . 1 1 40 40 PHE CB C 40 39.815 39.815 40.047 -0.232 25848 5194 1 14 . 1 1 40 40 PHE H H 40 7.762 7.762 7.553 0.209 25848 5195 1 14 . 1 1 41 41 CYS N N 41 120.807 120.807 120.786 0.021 25848 5196 1 14 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.660 -0.086 25848 5197 1 14 . 1 1 41 41 CYS C C 41 171.732 171.732 171.781 -0.049 25848 5198 1 14 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.013 -1.347 25848 5199 1 14 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.842 13.267 25848 5200 1 14 . 1 1 41 41 CYS H H 41 7.040 7.040 7.319 -0.279 25848 5201 1 14 . 1 1 42 42 LEU N N 42 119.987 119.987 120.491 -0.504 25848 5202 1 14 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.764 -0.492 25848 5203 1 14 . 1 1 42 42 LEU C C 42 173.872 173.872 175.834 -1.962 25848 5204 1 14 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.284 0.719 25848 5205 1 14 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.481 -0.655 25848 5206 1 14 . 1 1 42 42 LEU H H 42 8.728 8.728 8.077 0.651 25848 5207 1 14 . 1 1 43 43 VAL N N 43 115.632 115.632 117.446 -1.814 25848 5208 1 14 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.388 -0.580 25848 5209 1 14 . 1 1 43 43 VAL C C 43 173.751 173.751 176.346 -2.595 25848 5210 1 14 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.234 0.024 25848 5211 1 14 . 1 1 43 43 VAL CB C 43 32.857 32.857 33.587 -0.730 25848 5212 1 14 . 1 1 43 43 VAL H H 43 7.192 7.192 8.280 -1.088 25848 5213 1 14 . 1 1 44 44 LYS N N 44 117.023 117.023 117.399 -0.376 25848 5214 1 14 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.129 -0.899 25848 5215 1 14 . 1 1 44 44 LYS C C 44 176.385 176.385 175.456 0.929 25848 5216 1 14 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.335 0.438 25848 5217 1 14 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.634 0.397 25848 5218 1 14 . 1 1 44 44 LYS H H 44 7.531 7.531 8.590 -1.059 25848 5219 1 14 . 1 1 45 45 TRP N N 45 117.377 117.377 118.199 -0.822 25848 5220 1 14 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.790 -0.343 25848 5221 1 14 . 1 1 45 45 TRP C C 45 175.675 175.675 175.015 0.660 25848 5222 1 14 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.089 1.933 25848 5223 1 14 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.738 -2.743 25848 5224 1 14 . 1 1 45 45 TRP H H 45 9.364 9.364 7.626 1.738 25848 5225 1 14 . 1 1 46 46 LYS N N 46 119.913 119.913 120.103 -0.190 25848 5226 1 14 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.752 -0.362 25848 5227 1 14 . 1 1 46 46 LYS C C 46 176.776 176.776 176.055 0.721 25848 5228 1 14 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.766 0.396 25848 5229 1 14 . 1 1 46 46 LYS CB C 46 33.666 33.666 34.914 -1.248 25848 5230 1 14 . 1 1 46 46 LYS H H 46 7.985 7.985 7.416 0.569 25848 5231 1 14 . 1 1 47 47 GLN N N 47 121.031 121.031 120.406 0.625 25848 5232 1 14 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.328 0.551 25848 5233 1 14 . 1 1 47 47 GLN C C 47 177.118 177.118 176.733 0.385 25848 5234 1 14 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.999 -0.444 25848 5235 1 14 . 1 1 47 47 GLN H H 47 8.623 8.623 8.780 -0.157 25848 5236 1 14 . 1 1 48 48 CYS N N 48 115.456 115.456 119.690 -4.234 25848 5237 1 14 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.689 0.067 25848 5238 1 14 . 1 1 48 48 CYS C C 48 173.978 173.978 175.414 -1.436 25848 5239 1 14 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.197 14.793 25848 5240 1 14 . 1 1 48 48 CYS H H 48 8.365 8.365 8.474 -0.109 25848 5241 1 14 . 1 1 49 49 ASP N N 49 123.208 123.208 124.431 -1.223 25848 5242 1 14 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.414 0.034 25848 5243 1 14 . 1 1 49 49 ASP C C 49 177.773 177.773 177.396 0.377 25848 5244 1 14 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.449 0.539 25848 5245 1 14 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.638 0.442 25848 5246 1 14 . 1 1 49 49 ASP H H 49 7.839 7.839 7.566 0.273 25848 5247 1 14 . 1 1 50 50 GLY N N 50 115.583 115.583 114.499 1.084 25848 5248 1 14 . 1 1 50 50 GLY C C 50 173.522 173.522 175.270 -1.748 25848 5249 1 14 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.501 0.783 25848 5250 1 14 . 1 1 50 50 GLY H H 50 9.371 9.371 8.804 0.567 25848 5251 1 14 . 1 1 51 51 ARG N N 51 122.794 122.794 122.351 0.443 25848 5252 1 14 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.635 0.023 25848 5253 1 14 . 1 1 51 51 ARG C C 51 176.977 176.977 176.888 0.089 25848 5254 1 14 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.384 0.368 25848 5255 1 14 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.543 1.540 25848 5256 1 14 . 1 1 51 51 ARG H H 51 8.199 8.199 8.075 0.124 25848 5257 1 14 . 1 1 52 52 GLU N N 52 117.957 117.957 118.608 -0.651 25848 5258 1 14 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.080 -0.006 25848 5259 1 14 . 1 1 52 52 GLU C C 52 178.254 178.254 176.363 1.891 25848 5260 1 14 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.697 2.533 25848 5261 1 14 . 1 1 52 52 GLU CB C 52 28.808 28.808 28.930 -0.122 25848 5262 1 14 . 1 1 52 52 GLU H H 52 8.992 8.992 8.666 0.326 25848 5263 1 14 . 1 1 53 53 ARG N N 53 116.423 116.423 115.084 1.339 25848 5264 1 14 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.571 -0.007 25848 5265 1 14 . 1 1 53 53 ARG C C 53 177.327 177.327 175.530 1.797 25848 5266 1 14 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.832 -0.352 25848 5267 1 14 . 1 1 53 53 ARG CB C 53 29.265 29.265 29.972 -0.707 25848 5268 1 14 . 1 1 53 53 ARG H H 53 8.513 8.513 7.805 0.708 25848 5269 1 14 . 1 1 54 54 ASP N N 54 118.043 118.043 120.576 -2.533 25848 5270 1 14 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.826 -0.011 25848 5271 1 14 . 1 1 54 54 ASP C C 54 176.941 176.941 175.245 1.696 25848 5272 1 14 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.470 -2.723 25848 5273 1 14 . 1 1 54 54 ASP H H 54 7.933 7.933 8.013 -0.080 25848 5274 1 14 . 1 1 55 55 CYS N N 55 118.999 118.999 118.315 0.684 25848 5275 1 14 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.162 0.815 25848 5276 1 14 . 1 1 55 55 CYS C C 55 175.757 175.757 175.430 0.327 25848 5277 1 14 . 1 1 55 55 CYS CA C 55 55.989 55.989 61.012 -5.023 25848 5278 1 14 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.252 11.182 25848 5279 1 14 . 1 1 55 55 CYS H H 55 8.222 8.222 7.551 0.671 25848 5280 1 14 . 1 1 56 56 CYS N N 56 121.139 121.139 120.047 1.092 25848 5281 1 14 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.339 -0.005 25848 5282 1 14 . 1 1 56 56 CYS C C 56 171.957 171.957 175.528 -3.571 25848 5283 1 14 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.754 -5.263 25848 5284 1 14 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.396 12.617 25848 5285 1 14 . 1 1 56 56 CYS H H 56 8.999 8.999 8.096 0.903 25848 5286 1 14 . 1 1 57 57 ALA N N 57 120.553 120.553 124.064 -3.511 25848 5287 1 14 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.194 -0.121 25848 5288 1 14 . 1 1 57 57 ALA C C 57 178.248 178.248 178.393 -0.145 25848 5289 1 14 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.133 0.631 25848 5290 1 14 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.774 -0.377 25848 5291 1 14 . 1 1 57 57 ALA H H 57 8.084 8.084 8.480 -0.396 25848 5292 1 14 . 1 1 58 58 GLY N N 58 110.247 110.247 111.548 -1.301 25848 5293 1 14 . 1 1 58 58 GLY C C 58 173.204 173.204 174.445 -1.241 25848 5294 1 14 . 1 1 58 58 GLY CA C 58 44.758 44.758 45.154 -0.396 25848 5295 1 14 . 1 1 58 58 GLY H H 58 8.713 8.713 8.650 0.063 25848 5296 1 14 . 1 1 59 59 LEU N N 59 120.155 120.155 121.747 -1.592 25848 5297 1 14 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.589 0.377 25848 5298 1 14 . 1 1 59 59 LEU C C 59 175.349 175.349 176.091 -0.742 25848 5299 1 14 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.666 -2.221 25848 5300 1 14 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.767 0.717 25848 5301 1 14 . 1 1 59 59 LEU H H 59 7.901 7.901 7.352 0.549 25848 5302 1 14 . 1 1 60 60 GLU N N 60 117.726 117.726 115.232 2.494 25848 5303 1 14 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.400 0.279 25848 5304 1 14 . 1 1 60 60 GLU C C 60 174.016 174.016 174.533 -0.517 25848 5305 1 14 . 1 1 60 60 GLU CB C 60 32.595 32.595 31.896 0.699 25848 5306 1 14 . 1 1 60 60 GLU H H 60 9.145 9.145 8.019 1.126 25848 5307 1 14 . 1 1 61 61 CYS N N 61 122.299 122.299 123.095 -0.796 25848 5308 1 14 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.401 0.445 25848 5309 1 14 . 1 1 61 61 CYS C C 61 173.374 173.374 174.876 -1.502 25848 5310 1 14 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.360 14.114 25848 5311 1 14 . 1 1 61 61 CYS H H 61 9.064 9.064 9.023 0.041 25848 5312 1 14 . 1 1 62 62 TRP N N 62 135.668 135.668 130.687 4.981 25848 5313 1 14 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.621 0.277 25848 5314 1 14 . 1 1 62 62 TRP C C 62 174.430 174.430 174.806 -0.376 25848 5315 1 14 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.773 0.693 25848 5316 1 14 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.696 0.289 25848 5317 1 14 . 1 1 62 62 TRP H H 62 9.434 9.434 8.334 1.100 25848 5318 1 14 . 1 1 63 63 LYS N N 63 128.624 128.624 128.080 0.544 25848 5319 1 14 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.354 -0.007 25848 5320 1 14 . 1 1 63 63 LYS C C 63 175.409 175.409 175.568 -0.159 25848 5321 1 14 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.147 0.474 25848 5322 1 14 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.318 0.200 25848 5323 1 14 . 1 1 63 63 LYS H H 63 8.392 8.392 8.572 -0.180 25848 5324 1 14 . 1 1 64 64 ARG N N 64 125.507 125.507 124.736 0.771 25848 5325 1 14 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.313 -0.378 25848 5326 1 14 . 1 1 64 64 ARG C C 64 175.704 175.704 174.478 1.226 25848 5327 1 14 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.328 0.526 25848 5328 1 14 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.419 0.077 25848 5329 1 14 . 1 1 64 64 ARG H H 64 7.877 7.877 7.996 -0.119 25848 5330 1 14 . 1 1 65 65 SER N N 65 115.709 115.709 118.011 -2.302 25848 5331 1 14 . 1 1 65 65 SER HA H 65 4.306 4.306 4.772 -0.466 25848 5332 1 14 . 1 1 65 65 SER C C 65 175.289 175.289 175.169 0.120 25848 5333 1 14 . 1 1 65 65 SER CA C 65 58.778 58.778 57.400 1.378 25848 5334 1 14 . 1 1 65 65 SER CB C 65 63.667 63.667 64.781 -1.114 25848 5335 1 14 . 1 1 65 65 SER H H 65 8.198 8.198 8.225 -0.026 25848 5336 1 14 . 1 1 66 66 GLY N N 66 110.671 110.671 113.453 -2.782 25848 5337 1 14 . 1 1 66 66 GLY C C 66 174.634 174.634 174.643 -0.009 25848 5338 1 14 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.055 1.025 25848 5339 1 14 . 1 1 66 66 GLY H H 66 8.675 8.675 8.598 0.077 25848 5340 1 14 . 1 1 67 67 ASN N N 67 118.608 118.608 117.975 0.633 25848 5341 1 14 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.746 -0.084 25848 5342 1 14 . 1 1 67 67 ASN C C 67 175.108 175.108 175.353 -0.245 25848 5343 1 14 . 1 1 67 67 ASN CA C 67 52.755 52.755 53.524 -0.769 25848 5344 1 14 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.499 -0.999 25848 5345 1 14 . 1 1 67 67 ASN H H 67 8.374 8.374 8.477 -0.103 25848 5346 1 14 . 1 1 68 68 LYS N N 68 119.218 119.218 118.863 0.355 25848 5347 1 14 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.341 -0.011 25848 5348 1 14 . 1 1 68 68 LYS C C 68 176.405 176.405 174.973 1.432 25848 5349 1 14 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.727 0.680 25848 5350 1 14 . 1 1 68 68 LYS CB C 68 33.907 33.907 33.810 0.097 25848 5351 1 14 . 1 1 68 68 LYS H H 68 7.816 7.816 7.562 0.254 25848 5352 1 14 . 1 1 69 69 SER N N 69 115.165 115.165 115.134 0.031 25848 5353 1 14 . 1 1 69 69 SER HA H 69 4.615 4.615 4.379 0.236 25848 5354 1 14 . 1 1 69 69 SER C C 69 174.381 174.381 174.433 -0.052 25848 5355 1 14 . 1 1 69 69 SER CA C 69 57.773 57.773 58.740 -0.967 25848 5356 1 14 . 1 1 69 69 SER CB C 69 64.533 64.533 63.793 0.740 25848 5357 1 14 . 1 1 69 69 SER H H 69 8.176 8.176 8.432 -0.256 25848 5358 1 14 . 1 1 70 70 SER N N 70 121.583 121.583 117.600 3.983 25848 5359 1 14 . 1 1 70 70 SER HA H 70 5.011 5.011 4.366 0.645 25848 5360 1 14 . 1 1 70 70 SER C C 70 175.256 175.256 174.375 0.881 25848 5361 1 14 . 1 1 70 70 SER CA C 70 58.455 58.455 59.182 -0.727 25848 5362 1 14 . 1 1 70 70 SER CB C 70 63.987 63.987 62.822 1.165 25848 5363 1 14 . 1 1 70 70 SER H H 70 9.539 9.539 8.447 1.092 25848 5364 1 14 . 1 1 71 71 VAL N N 71 115.977 115.977 119.044 -3.067 25848 5365 1 14 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.741 0.597 25848 5366 1 14 . 1 1 71 71 VAL C C 71 176.220 176.220 175.021 1.199 25848 5367 1 14 . 1 1 71 71 VAL CA C 71 58.655 58.655 59.682 -1.027 25848 5368 1 14 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.897 2.525 25848 5369 1 14 . 1 1 71 71 VAL H H 71 8.502 8.502 7.869 0.633 25848 5370 1 14 . 1 1 72 72 CYS N N 72 120.794 120.794 118.665 2.129 25848 5371 1 14 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.534 -0.509 25848 5372 1 14 . 1 1 72 72 CYS C C 72 174.142 174.142 174.539 -0.397 25848 5373 1 14 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.862 -3.397 25848 5374 1 14 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.131 9.327 25848 5375 1 14 . 1 1 72 72 CYS H H 72 8.557 8.557 8.079 0.478 25848 5376 1 14 . 1 1 73 73 ALA N N 73 130.318 130.318 125.549 4.769 25848 5377 1 14 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.762 -0.302 25848 5378 1 14 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.492 0.105 25848 5379 1 14 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.374 1.160 25848 5380 1 14 . 1 1 73 73 ALA H H 73 9.629 9.629 8.818 0.811 25848 5381 1 14 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.504 -0.004 25848 5382 1 14 . 1 1 74 74 PRO C C 74 176.504 176.504 176.563 -0.059 25848 5383 1 14 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.925 1.294 25848 5384 1 14 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.257 -0.354 25848 5385 1 14 . 1 1 75 75 ILE N N 75 122.019 122.019 113.813 8.206 25848 5386 1 14 . 1 1 75 75 ILE HA H 75 3.944 3.944 3.904 0.040 25848 5387 1 14 . 1 1 75 75 ILE C C 75 175.793 175.793 175.726 0.067 25848 5388 1 14 . 1 1 75 75 ILE CA C 75 62.346 62.346 62.133 0.213 25848 5389 1 14 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.915 1.054 25848 5390 1 14 . 1 1 75 75 ILE H H 75 7.769 7.769 8.025 -0.256 25848 5391 1 15 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.996 -0.285 25848 5392 1 15 . 1 1 2 2 ASN C C 2 174.785 174.785 174.673 0.112 25848 5393 1 15 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.084 -0.264 25848 5394 1 15 . 1 1 3 3 GLU N N 3 121.744 121.744 122.403 -0.659 25848 5395 1 15 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.517 -0.169 25848 5396 1 15 . 1 1 3 3 GLU C C 3 176.060 176.060 175.636 0.424 25848 5397 1 15 . 1 1 3 3 GLU CA C 3 56.267 56.267 55.921 0.346 25848 5398 1 15 . 1 1 3 3 GLU CB C 3 30.187 30.187 31.033 -0.846 25848 5399 1 15 . 1 1 3 3 GLU H H 3 8.470 8.470 8.648 -0.178 25848 5400 1 15 . 1 1 4 4 CYS N N 4 119.765 119.765 116.923 2.842 25848 5401 1 15 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.766 0.031 25848 5402 1 15 . 1 1 4 4 CYS C C 4 173.263 173.263 174.507 -1.244 25848 5403 1 15 . 1 1 4 4 CYS CB C 4 42.301 42.301 30.136 12.165 25848 5404 1 15 . 1 1 4 4 CYS H H 4 8.317 8.317 8.613 -0.296 25848 5405 1 15 . 1 1 5 5 ILE N N 5 122.940 122.940 122.308 0.632 25848 5406 1 15 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.070 -0.182 25848 5407 1 15 . 1 1 5 5 ILE C C 5 173.890 173.890 176.022 -2.132 25848 5408 1 15 . 1 1 5 5 ILE CA C 5 62.516 62.516 62.179 0.337 25848 5409 1 15 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.768 0.512 25848 5410 1 15 . 1 1 5 5 ILE H H 5 8.912 8.912 8.060 0.852 25848 5411 1 15 . 1 1 6 6 ARG N N 6 125.981 125.981 125.851 0.130 25848 5412 1 15 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.255 -0.393 25848 5413 1 15 . 1 1 6 6 ARG C C 6 174.259 174.259 175.836 -1.577 25848 5414 1 15 . 1 1 6 6 ARG CA C 6 56.018 56.018 55.887 0.131 25848 5415 1 15 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.742 1.035 25848 5416 1 15 . 1 1 6 6 ARG H H 6 7.528 7.528 8.247 -0.719 25848 5417 1 15 . 1 1 7 7 LYS N N 7 116.267 116.267 121.422 -5.155 25848 5418 1 15 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.975 -0.689 25848 5419 1 15 . 1 1 7 7 LYS C C 7 175.417 175.417 176.856 -1.439 25848 5420 1 15 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.317 1.006 25848 5421 1 15 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.783 -0.112 25848 5422 1 15 . 1 1 7 7 LYS H H 7 7.558 7.558 8.326 -0.768 25848 5423 1 15 . 1 1 8 8 TRP N N 8 115.300 115.300 122.276 -6.976 25848 5424 1 15 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.321 -0.061 25848 5425 1 15 . 1 1 8 8 TRP C C 8 175.069 175.069 175.609 -0.540 25848 5426 1 15 . 1 1 8 8 TRP CA C 8 58.008 58.008 57.955 0.053 25848 5427 1 15 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.938 0.749 25848 5428 1 15 . 1 1 8 8 TRP H H 8 9.357 9.357 8.066 1.291 25848 5429 1 15 . 1 1 9 9 LEU N N 9 120.240 120.240 119.983 0.257 25848 5430 1 15 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.626 0.071 25848 5431 1 15 . 1 1 9 9 LEU C C 9 176.636 176.636 176.343 0.293 25848 5432 1 15 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.093 -1.845 25848 5433 1 15 . 1 1 9 9 LEU H H 9 7.701 7.701 7.968 -0.267 25848 5434 1 15 . 1 1 10 10 SER N N 10 110.077 110.077 110.750 -0.673 25848 5435 1 15 . 1 1 10 10 SER HA H 10 4.704 4.704 4.745 -0.041 25848 5436 1 15 . 1 1 10 10 SER CB C 10 64.064 64.064 63.928 0.136 25848 5437 1 15 . 1 1 10 10 SER H H 10 8.148 8.148 8.120 0.028 25848 5438 1 15 . 1 1 11 11 CYS N N 11 121.141 121.141 126.474 -5.333 25848 5439 1 15 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.786 0.084 25848 5440 1 15 . 1 1 11 11 CYS CB C 11 44.031 44.031 26.620 17.411 25848 5441 1 15 . 1 1 11 11 CYS H H 11 8.580 8.580 9.096 -0.516 25848 5442 1 15 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.894 -0.329 25848 5443 1 15 . 1 1 12 12 VAL CA C 12 65.197 65.197 64.574 0.623 25848 5444 1 15 . 1 1 12 12 VAL H H 12 7.776 7.776 7.608 0.168 25848 5445 1 15 . 1 1 15 15 LYS N N 15 117.195 117.195 119.711 -2.516 25848 5446 1 15 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.183 0.176 25848 5447 1 15 . 1 1 15 15 LYS C C 15 177.505 177.505 177.731 -0.226 25848 5448 1 15 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.101 1.341 25848 5449 1 15 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.432 0.139 25848 5450 1 15 . 1 1 15 15 LYS H H 15 7.936 7.936 8.533 -0.597 25848 5451 1 15 . 1 1 16 16 ASN N N 16 115.005 115.005 118.589 -3.584 25848 5452 1 15 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.653 0.422 25848 5453 1 15 . 1 1 16 16 ASN C C 16 176.707 176.707 175.376 1.331 25848 5454 1 15 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.936 -1.926 25848 5455 1 15 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.247 0.922 25848 5456 1 15 . 1 1 16 16 ASN H H 16 8.644 8.644 8.216 0.428 25848 5457 1 15 . 1 1 17 17 ASP N N 17 118.040 118.040 118.665 -0.625 25848 5458 1 15 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.892 -0.029 25848 5459 1 15 . 1 1 17 17 ASP C C 17 176.756 176.756 176.036 0.720 25848 5460 1 15 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.619 0.391 25848 5461 1 15 . 1 1 17 17 ASP H H 17 7.592 7.592 7.775 -0.183 25848 5462 1 15 . 1 1 18 18 CYS N N 18 119.499 119.499 117.393 2.106 25848 5463 1 15 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.172 0.728 25848 5464 1 15 . 1 1 18 18 CYS C C 18 176.186 176.186 174.603 1.583 25848 5465 1 15 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.343 11.544 25848 5466 1 15 . 1 1 18 18 CYS H H 18 8.729 8.729 7.856 0.873 25848 5467 1 15 . 1 1 19 19 CYS N N 19 120.655 120.655 112.978 7.677 25848 5468 1 15 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.366 0.049 25848 5469 1 15 . 1 1 19 19 CYS C C 19 171.719 171.719 172.825 -1.106 25848 5470 1 15 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.074 -3.505 25848 5471 1 15 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.438 11.479 25848 5472 1 15 . 1 1 19 19 CYS H H 19 9.086 9.086 8.091 0.995 25848 5473 1 15 . 1 1 20 20 GLU N N 20 118.445 118.445 122.623 -4.178 25848 5474 1 15 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.286 -0.355 25848 5475 1 15 . 1 1 20 20 GLU C C 20 176.509 176.509 176.824 -0.315 25848 5476 1 15 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.987 0.833 25848 5477 1 15 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.569 0.334 25848 5478 1 15 . 1 1 20 20 GLU H H 20 8.155 8.155 8.793 -0.638 25848 5479 1 15 . 1 1 21 21 GLY N N 21 113.662 113.662 112.987 0.675 25848 5480 1 15 . 1 1 21 21 GLY C C 21 172.614 172.614 172.615 -0.001 25848 5481 1 15 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.035 -0.504 25848 5482 1 15 . 1 1 21 21 GLY H H 21 8.719 8.719 8.655 0.064 25848 5483 1 15 . 1 1 22 22 LEU N N 22 120.372 120.372 119.276 1.096 25848 5484 1 15 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.001 0.080 25848 5485 1 15 . 1 1 22 22 LEU C C 22 174.927 174.927 175.640 -0.713 25848 5486 1 15 . 1 1 22 22 LEU CA C 22 52.450 52.450 52.934 -0.484 25848 5487 1 15 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.720 -1.209 25848 5488 1 15 . 1 1 22 22 LEU H H 22 7.641 7.641 7.027 0.614 25848 5489 1 15 . 1 1 23 23 GLU N N 23 117.193 117.193 117.383 -0.190 25848 5490 1 15 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.565 0.143 25848 5491 1 15 . 1 1 23 23 GLU C C 23 173.821 173.821 175.023 -1.202 25848 5492 1 15 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.372 -1.040 25848 5493 1 15 . 1 1 23 23 GLU CB C 23 32.486 32.486 32.725 -0.239 25848 5494 1 15 . 1 1 23 23 GLU H H 23 9.299 9.299 8.246 1.053 25848 5495 1 15 . 1 1 24 24 CYS N N 24 123.260 123.260 123.598 -0.338 25848 5496 1 15 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.258 0.543 25848 5497 1 15 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.267 14.028 25848 5498 1 15 . 1 1 24 24 CYS H H 24 8.953 8.953 8.985 -0.032 25848 5499 1 15 . 1 1 25 25 TYR N N 25 134.523 134.523 127.912 6.611 25848 5500 1 15 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.730 0.083 25848 5501 1 15 . 1 1 25 25 TYR C C 25 173.768 173.768 174.329 -0.561 25848 5502 1 15 . 1 1 25 25 TYR CB C 25 43.346 43.346 40.943 2.403 25848 5503 1 15 . 1 1 25 25 TYR H H 25 9.338 9.338 8.641 0.697 25848 5504 1 15 . 1 1 26 26 LYS N N 26 127.496 127.496 123.570 3.926 25848 5505 1 15 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.513 -0.417 25848 5506 1 15 . 1 1 26 26 LYS C C 26 174.360 174.360 174.969 -0.609 25848 5507 1 15 . 1 1 26 26 LYS CA C 26 55.938 55.938 54.274 1.664 25848 5508 1 15 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.730 -1.063 25848 5509 1 15 . 1 1 26 26 LYS H H 26 8.176 8.176 7.370 0.806 25848 5510 1 15 . 1 1 27 27 ARG N N 27 125.899 125.899 124.197 1.702 25848 5511 1 15 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.520 -0.295 25848 5512 1 15 . 1 1 27 27 ARG C C 27 174.385 174.385 175.656 -1.271 25848 5513 1 15 . 1 1 27 27 ARG CA C 27 55.989 55.989 54.551 1.438 25848 5514 1 15 . 1 1 27 27 ARG CB C 27 32.009 32.009 31.998 0.011 25848 5515 1 15 . 1 1 27 27 ARG H H 27 7.493 7.493 8.336 -0.843 25848 5516 1 15 . 1 1 28 28 ARG N N 28 121.214 121.214 121.241 -0.027 25848 5517 1 15 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.246 -0.334 25848 5518 1 15 . 1 1 28 28 ARG C C 28 176.613 176.613 177.291 -0.678 25848 5519 1 15 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.878 -0.264 25848 5520 1 15 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.698 -1.024 25848 5521 1 15 . 1 1 28 28 ARG H H 28 8.519 8.519 8.678 -0.159 25848 5522 1 15 . 1 1 29 29 HIS N N 29 116.413 116.413 112.297 4.116 25848 5523 1 15 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.741 -0.261 25848 5524 1 15 . 1 1 29 29 HIS C C 29 174.166 174.166 174.248 -0.082 25848 5525 1 15 . 1 1 29 29 HIS CA C 29 56.020 56.020 55.002 1.018 25848 5526 1 15 . 1 1 29 29 HIS CB C 29 28.134 28.134 29.350 -1.216 25848 5527 1 15 . 1 1 29 29 HIS H H 29 8.771 8.771 7.709 1.062 25848 5528 1 15 . 1 1 30 30 SER N N 30 113.403 113.403 115.835 -2.432 25848 5529 1 15 . 1 1 30 30 SER HA H 30 4.469 4.469 4.559 -0.090 25848 5530 1 15 . 1 1 30 30 SER C C 30 173.332 173.332 174.025 -0.693 25848 5531 1 15 . 1 1 30 30 SER CA C 30 57.257 57.257 56.586 0.671 25848 5532 1 15 . 1 1 30 30 SER CB C 30 63.559 63.559 64.573 -1.014 25848 5533 1 15 . 1 1 30 30 SER H H 30 7.826 7.826 7.473 0.353 25848 5534 1 15 . 1 1 31 31 PHE N N 31 118.662 118.662 123.885 -5.223 25848 5535 1 15 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.434 0.359 25848 5536 1 15 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.284 1.028 25848 5537 1 15 . 1 1 31 31 PHE H H 31 7.801 7.801 8.386 -0.585 25848 5538 1 15 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.304 0.306 25848 5539 1 15 . 1 1 32 32 GLU CB C 32 30.289 30.289 29.747 0.542 25848 5540 1 15 . 1 1 33 33 VAL N N 33 121.027 121.027 119.105 1.922 25848 5541 1 15 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.494 0.607 25848 5542 1 15 . 1 1 33 33 VAL C C 33 175.754 175.754 175.159 0.595 25848 5543 1 15 . 1 1 33 33 VAL CA C 33 58.545 58.545 60.794 -2.249 25848 5544 1 15 . 1 1 33 33 VAL CB C 33 37.464 37.464 36.550 0.914 25848 5545 1 15 . 1 1 33 33 VAL H H 33 8.581 8.581 8.194 0.387 25848 5546 1 15 . 1 1 34 34 CYS N N 34 119.365 119.365 122.638 -3.273 25848 5547 1 15 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.419 0.645 25848 5548 1 15 . 1 1 34 34 CYS C C 34 174.853 174.853 174.975 -0.122 25848 5549 1 15 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.724 -5.029 25848 5550 1 15 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.735 14.239 25848 5551 1 15 . 1 1 34 34 CYS H H 34 7.968 7.968 8.840 -0.872 25848 5552 1 15 . 1 1 35 35 VAL N N 35 122.141 122.141 115.626 6.515 25848 5553 1 15 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.110 0.358 25848 5554 1 15 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.908 0.122 25848 5555 1 15 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.680 -0.464 25848 5556 1 15 . 1 1 35 35 VAL H H 35 9.611 9.611 8.522 1.089 25848 5557 1 15 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.343 0.055 25848 5558 1 15 . 1 1 36 36 PRO C C 36 176.509 176.509 176.641 -0.132 25848 5559 1 15 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.570 0.750 25848 5560 1 15 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.621 0.491 25848 5561 1 15 . 1 1 37 37 ILE N N 37 125.294 125.294 127.449 -2.155 25848 5562 1 15 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.316 -0.185 25848 5563 1 15 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.523 0.267 25848 5564 1 15 . 1 1 37 37 ILE CB C 37 39.566 39.566 38.125 1.441 25848 5565 1 15 . 1 1 37 37 ILE H H 37 7.927 7.927 7.962 -0.035 25848 5566 1 15 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.464 -0.127 25848 5567 1 15 . 1 1 38 38 PRO C C 38 177.800 177.800 177.886 -0.086 25848 5568 1 15 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.489 0.605 25848 5569 1 15 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.424 0.307 25848 5570 1 15 . 1 1 39 39 GLY N N 39 112.745 112.745 113.012 -0.267 25848 5571 1 15 . 1 1 39 39 GLY C C 39 174.463 174.463 174.132 0.331 25848 5572 1 15 . 1 1 39 39 GLY CA C 39 45.463 45.463 44.733 0.730 25848 5573 1 15 . 1 1 39 39 GLY H H 39 8.843 8.843 8.787 0.056 25848 5574 1 15 . 1 1 40 40 PHE N N 40 120.803 120.803 121.447 -0.644 25848 5575 1 15 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.428 -0.107 25848 5576 1 15 . 1 1 40 40 PHE C C 40 174.706 174.706 174.211 0.495 25848 5577 1 15 . 1 1 40 40 PHE CA C 40 59.668 59.668 58.842 0.826 25848 5578 1 15 . 1 1 40 40 PHE CB C 40 39.815 39.815 40.074 -0.259 25848 5579 1 15 . 1 1 40 40 PHE H H 40 7.762 7.762 7.641 0.121 25848 5580 1 15 . 1 1 41 41 CYS N N 41 120.807 120.807 121.800 -0.993 25848 5581 1 15 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.700 -0.126 25848 5582 1 15 . 1 1 41 41 CYS C C 41 171.732 171.732 171.950 -0.218 25848 5583 1 15 . 1 1 41 41 CYS CA C 41 53.666 53.666 56.267 -2.601 25848 5584 1 15 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.468 13.641 25848 5585 1 15 . 1 1 41 41 CYS H H 41 7.040 7.040 7.546 -0.506 25848 5586 1 15 . 1 1 42 42 LEU N N 42 119.987 119.987 119.203 0.784 25848 5587 1 15 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.715 -0.443 25848 5588 1 15 . 1 1 42 42 LEU C C 42 173.872 173.872 175.926 -2.054 25848 5589 1 15 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.618 0.385 25848 5590 1 15 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.894 -1.068 25848 5591 1 15 . 1 1 42 42 LEU H H 42 8.728 8.728 8.034 0.694 25848 5592 1 15 . 1 1 43 43 VAL N N 43 115.632 115.632 115.362 0.270 25848 5593 1 15 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.447 -0.639 25848 5594 1 15 . 1 1 43 43 VAL C C 43 173.751 173.751 175.914 -2.163 25848 5595 1 15 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.396 -0.138 25848 5596 1 15 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.233 -1.376 25848 5597 1 15 . 1 1 43 43 VAL H H 43 7.192 7.192 8.107 -0.915 25848 5598 1 15 . 1 1 44 44 LYS N N 44 117.023 117.023 117.550 -0.527 25848 5599 1 15 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.213 -0.983 25848 5600 1 15 . 1 1 44 44 LYS C C 44 176.385 176.385 175.649 0.736 25848 5601 1 15 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.150 0.623 25848 5602 1 15 . 1 1 44 44 LYS CB C 44 32.031 32.031 32.184 -0.153 25848 5603 1 15 . 1 1 44 44 LYS H H 44 7.531 7.531 8.684 -1.153 25848 5604 1 15 . 1 1 45 45 TRP N N 45 117.377 117.377 118.706 -1.329 25848 5605 1 15 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.820 -0.373 25848 5606 1 15 . 1 1 45 45 TRP C C 45 175.675 175.675 175.121 0.554 25848 5607 1 15 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.379 1.642 25848 5608 1 15 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.410 -2.415 25848 5609 1 15 . 1 1 45 45 TRP H H 45 9.364 9.364 7.671 1.693 25848 5610 1 15 . 1 1 46 46 LYS N N 46 119.913 119.913 119.389 0.524 25848 5611 1 15 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.758 -0.368 25848 5612 1 15 . 1 1 46 46 LYS C C 46 176.776 176.776 175.085 1.691 25848 5613 1 15 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.393 0.768 25848 5614 1 15 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.602 -1.936 25848 5615 1 15 . 1 1 46 46 LYS H H 46 7.985 7.985 7.329 0.656 25848 5616 1 15 . 1 1 47 47 GLN N N 47 121.031 121.031 120.199 0.832 25848 5617 1 15 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.450 0.429 25848 5618 1 15 . 1 1 47 47 GLN C C 47 177.118 177.118 176.855 0.263 25848 5619 1 15 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.983 -0.428 25848 5620 1 15 . 1 1 47 47 GLN H H 47 8.623 8.623 8.689 -0.066 25848 5621 1 15 . 1 1 48 48 CYS N N 48 115.456 115.456 121.672 -6.216 25848 5622 1 15 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.661 0.095 25848 5623 1 15 . 1 1 48 48 CYS C C 48 173.978 173.978 175.445 -1.467 25848 5624 1 15 . 1 1 48 48 CYS CB C 48 43.989 43.989 28.601 15.388 25848 5625 1 15 . 1 1 48 48 CYS H H 48 8.365 8.365 8.768 -0.403 25848 5626 1 15 . 1 1 49 49 ASP N N 49 123.208 123.208 123.442 -0.234 25848 5627 1 15 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.375 0.073 25848 5628 1 15 . 1 1 49 49 ASP C C 49 177.773 177.773 177.163 0.610 25848 5629 1 15 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.354 0.634 25848 5630 1 15 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.961 0.119 25848 5631 1 15 . 1 1 49 49 ASP H H 49 7.839 7.839 7.487 0.352 25848 5632 1 15 . 1 1 50 50 GLY N N 50 115.583 115.583 114.872 0.711 25848 5633 1 15 . 1 1 50 50 GLY C C 50 173.522 173.522 175.265 -1.743 25848 5634 1 15 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.599 0.685 25848 5635 1 15 . 1 1 50 50 GLY H H 50 9.371 9.371 8.847 0.524 25848 5636 1 15 . 1 1 51 51 ARG N N 51 122.794 122.794 122.386 0.408 25848 5637 1 15 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.623 0.035 25848 5638 1 15 . 1 1 51 51 ARG C C 51 176.977 176.977 176.786 0.191 25848 5639 1 15 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.383 0.369 25848 5640 1 15 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.431 1.652 25848 5641 1 15 . 1 1 51 51 ARG H H 51 8.199 8.199 8.016 0.183 25848 5642 1 15 . 1 1 52 52 GLU N N 52 117.957 117.957 118.195 -0.238 25848 5643 1 15 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.131 -0.057 25848 5644 1 15 . 1 1 52 52 GLU C C 52 178.254 178.254 176.388 1.866 25848 5645 1 15 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.421 2.809 25848 5646 1 15 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.058 -0.250 25848 5647 1 15 . 1 1 52 52 GLU H H 52 8.992 8.992 8.601 0.391 25848 5648 1 15 . 1 1 53 53 ARG N N 53 116.423 116.423 116.940 -0.517 25848 5649 1 15 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.551 0.013 25848 5650 1 15 . 1 1 53 53 ARG C C 53 177.327 177.327 175.222 2.105 25848 5651 1 15 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.995 -0.515 25848 5652 1 15 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.184 -0.919 25848 5653 1 15 . 1 1 53 53 ARG H H 53 8.513 8.513 7.905 0.608 25848 5654 1 15 . 1 1 54 54 ASP N N 54 118.043 118.043 120.143 -2.100 25848 5655 1 15 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.795 0.020 25848 5656 1 15 . 1 1 54 54 ASP C C 54 176.941 176.941 175.238 1.703 25848 5657 1 15 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.246 -2.499 25848 5658 1 15 . 1 1 54 54 ASP H H 54 7.933 7.933 7.846 0.087 25848 5659 1 15 . 1 1 55 55 CYS N N 55 118.999 118.999 118.744 0.255 25848 5660 1 15 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.199 0.778 25848 5661 1 15 . 1 1 55 55 CYS C C 55 175.757 175.757 176.139 -0.382 25848 5662 1 15 . 1 1 55 55 CYS CA C 55 55.989 55.989 59.841 -3.852 25848 5663 1 15 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.514 10.920 25848 5664 1 15 . 1 1 55 55 CYS H H 55 8.222 8.222 7.569 0.653 25848 5665 1 15 . 1 1 56 56 CYS N N 56 121.139 121.139 119.908 1.231 25848 5666 1 15 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.316 0.018 25848 5667 1 15 . 1 1 56 56 CYS C C 56 171.957 171.957 175.639 -3.682 25848 5668 1 15 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.865 -5.374 25848 5669 1 15 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.105 12.908 25848 5670 1 15 . 1 1 56 56 CYS H H 56 8.999 8.999 8.085 0.914 25848 5671 1 15 . 1 1 57 57 ALA N N 57 120.553 120.553 124.366 -3.813 25848 5672 1 15 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.155 -0.082 25848 5673 1 15 . 1 1 57 57 ALA C C 57 178.248 178.248 178.343 -0.095 25848 5674 1 15 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.113 0.651 25848 5675 1 15 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.441 -0.044 25848 5676 1 15 . 1 1 57 57 ALA H H 57 8.084 8.084 8.538 -0.454 25848 5677 1 15 . 1 1 58 58 GLY N N 58 110.247 110.247 111.508 -1.261 25848 5678 1 15 . 1 1 58 58 GLY C C 58 173.204 173.204 173.808 -0.604 25848 5679 1 15 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.784 -0.026 25848 5680 1 15 . 1 1 58 58 GLY H H 58 8.713 8.713 8.603 0.110 25848 5681 1 15 . 1 1 59 59 LEU N N 59 120.155 120.155 121.243 -1.088 25848 5682 1 15 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.578 0.388 25848 5683 1 15 . 1 1 59 59 LEU C C 59 175.349 175.349 176.005 -0.656 25848 5684 1 15 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.622 -2.177 25848 5685 1 15 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.555 0.929 25848 5686 1 15 . 1 1 59 59 LEU H H 59 7.901 7.901 7.310 0.591 25848 5687 1 15 . 1 1 60 60 GLU N N 60 117.726 117.726 114.673 3.053 25848 5688 1 15 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.483 0.196 25848 5689 1 15 . 1 1 60 60 GLU C C 60 174.016 174.016 174.607 -0.591 25848 5690 1 15 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.279 0.316 25848 5691 1 15 . 1 1 60 60 GLU H H 60 9.145 9.145 8.118 1.027 25848 5692 1 15 . 1 1 61 61 CYS N N 61 122.299 122.299 122.771 -0.472 25848 5693 1 15 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.435 0.411 25848 5694 1 15 . 1 1 61 61 CYS C C 61 173.374 173.374 174.860 -1.486 25848 5695 1 15 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.396 14.078 25848 5696 1 15 . 1 1 61 61 CYS H H 61 9.064 9.064 8.980 0.084 25848 5697 1 15 . 1 1 62 62 TRP N N 62 135.668 135.668 131.035 4.633 25848 5698 1 15 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.602 0.296 25848 5699 1 15 . 1 1 62 62 TRP C C 62 174.430 174.430 174.853 -0.423 25848 5700 1 15 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.137 1.329 25848 5701 1 15 . 1 1 62 62 TRP CB C 62 30.985 30.985 31.014 -0.028 25848 5702 1 15 . 1 1 62 62 TRP H H 62 9.434 9.434 8.508 0.926 25848 5703 1 15 . 1 1 63 63 LYS N N 63 128.624 128.624 127.883 0.741 25848 5704 1 15 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.340 0.007 25848 5705 1 15 . 1 1 63 63 LYS C C 63 175.409 175.409 175.540 -0.131 25848 5706 1 15 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.040 0.581 25848 5707 1 15 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.346 0.172 25848 5708 1 15 . 1 1 63 63 LYS H H 63 8.392 8.392 8.563 -0.171 25848 5709 1 15 . 1 1 64 64 ARG N N 64 125.507 125.507 124.553 0.954 25848 5710 1 15 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.278 -0.343 25848 5711 1 15 . 1 1 64 64 ARG C C 64 175.704 175.704 174.691 1.013 25848 5712 1 15 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.428 0.426 25848 5713 1 15 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.075 0.421 25848 5714 1 15 . 1 1 64 64 ARG H H 64 7.877 7.877 8.017 -0.140 25848 5715 1 15 . 1 1 65 65 SER N N 65 115.709 115.709 117.790 -2.081 25848 5716 1 15 . 1 1 65 65 SER HA H 65 4.306 4.306 4.728 -0.422 25848 5717 1 15 . 1 1 65 65 SER C C 65 175.289 175.289 174.783 0.506 25848 5718 1 15 . 1 1 65 65 SER CA C 65 58.778 58.778 57.850 0.928 25848 5719 1 15 . 1 1 65 65 SER CB C 65 63.667 63.667 64.643 -0.976 25848 5720 1 15 . 1 1 65 65 SER H H 65 8.198 8.198 8.334 -0.136 25848 5721 1 15 . 1 1 66 66 GLY N N 66 110.671 110.671 113.779 -3.108 25848 5722 1 15 . 1 1 66 66 GLY C C 66 174.634 174.634 174.773 -0.139 25848 5723 1 15 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.093 0.987 25848 5724 1 15 . 1 1 66 66 GLY H H 66 8.675 8.675 8.635 0.040 25848 5725 1 15 . 1 1 67 67 ASN N N 67 118.608 118.608 117.953 0.655 25848 5726 1 15 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.834 -0.172 25848 5727 1 15 . 1 1 67 67 ASN C C 67 175.108 175.108 175.712 -0.604 25848 5728 1 15 . 1 1 67 67 ASN CA C 67 52.755 52.755 53.835 -1.080 25848 5729 1 15 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.903 -1.403 25848 5730 1 15 . 1 1 67 67 ASN H H 67 8.374 8.374 8.359 0.015 25848 5731 1 15 . 1 1 68 68 LYS N N 68 119.218 119.218 118.997 0.221 25848 5732 1 15 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.460 -0.130 25848 5733 1 15 . 1 1 68 68 LYS C C 68 176.405 176.405 175.232 1.173 25848 5734 1 15 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.418 0.989 25848 5735 1 15 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.328 -0.421 25848 5736 1 15 . 1 1 68 68 LYS H H 68 7.816 7.816 7.593 0.223 25848 5737 1 15 . 1 1 69 69 SER N N 69 115.165 115.165 115.538 -0.373 25848 5738 1 15 . 1 1 69 69 SER HA H 69 4.615 4.615 4.347 0.268 25848 5739 1 15 . 1 1 69 69 SER C C 69 174.381 174.381 174.258 0.123 25848 5740 1 15 . 1 1 69 69 SER CA C 69 57.773 57.773 58.920 -1.147 25848 5741 1 15 . 1 1 69 69 SER CB C 69 64.533 64.533 63.730 0.803 25848 5742 1 15 . 1 1 69 69 SER H H 69 8.176 8.176 8.314 -0.138 25848 5743 1 15 . 1 1 70 70 SER N N 70 121.583 121.583 116.902 4.681 25848 5744 1 15 . 1 1 70 70 SER HA H 70 5.011 5.011 4.336 0.675 25848 5745 1 15 . 1 1 70 70 SER C C 70 175.256 175.256 174.450 0.806 25848 5746 1 15 . 1 1 70 70 SER CA C 70 58.455 58.455 58.815 -0.360 25848 5747 1 15 . 1 1 70 70 SER CB C 70 63.987 63.987 63.094 0.893 25848 5748 1 15 . 1 1 70 70 SER H H 70 9.539 9.539 8.320 1.219 25848 5749 1 15 . 1 1 71 71 VAL N N 71 115.977 115.977 118.298 -2.321 25848 5750 1 15 . 1 1 71 71 VAL HA H 71 5.338 5.338 5.156 0.182 25848 5751 1 15 . 1 1 71 71 VAL C C 71 176.220 176.220 174.943 1.277 25848 5752 1 15 . 1 1 71 71 VAL CA C 71 58.655 58.655 58.480 0.175 25848 5753 1 15 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.953 2.469 25848 5754 1 15 . 1 1 71 71 VAL H H 71 8.502 8.502 7.835 0.667 25848 5755 1 15 . 1 1 72 72 CYS N N 72 120.794 120.794 118.436 2.358 25848 5756 1 15 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.589 -0.564 25848 5757 1 15 . 1 1 72 72 CYS C C 72 174.142 174.142 174.571 -0.429 25848 5758 1 15 . 1 1 72 72 CYS CA C 72 54.465 54.465 58.025 -3.560 25848 5759 1 15 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.145 9.313 25848 5760 1 15 . 1 1 72 72 CYS H H 72 8.557 8.557 8.192 0.365 25848 5761 1 15 . 1 1 73 73 ALA N N 73 130.318 130.318 125.674 4.644 25848 5762 1 15 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.826 -0.366 25848 5763 1 15 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.549 0.048 25848 5764 1 15 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.350 1.184 25848 5765 1 15 . 1 1 73 73 ALA H H 73 9.629 9.629 8.765 0.864 25848 5766 1 15 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.536 -0.036 25848 5767 1 15 . 1 1 74 74 PRO C C 74 176.504 176.504 176.725 -0.221 25848 5768 1 15 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.954 1.265 25848 5769 1 15 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.367 -0.464 25848 5770 1 15 . 1 1 75 75 ILE N N 75 122.019 122.019 115.052 6.967 25848 5771 1 15 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.259 -0.315 25848 5772 1 15 . 1 1 75 75 ILE C C 75 175.793 175.793 176.326 -0.533 25848 5773 1 15 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.449 0.897 25848 5774 1 15 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.953 1.016 25848 5775 1 15 . 1 1 75 75 ILE H H 75 7.769 7.769 8.065 -0.296 25848 5776 1 16 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.786 -0.075 25848 5777 1 16 . 1 1 2 2 ASN C C 2 174.785 174.785 175.259 -0.474 25848 5778 1 16 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.031 -0.211 25848 5779 1 16 . 1 1 3 3 GLU N N 3 121.744 121.744 120.390 1.354 25848 5780 1 16 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.372 -0.024 25848 5781 1 16 . 1 1 3 3 GLU C C 3 176.060 176.060 176.076 -0.016 25848 5782 1 16 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.307 -0.040 25848 5783 1 16 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.797 -0.610 25848 5784 1 16 . 1 1 3 3 GLU H H 3 8.470 8.470 8.350 0.120 25848 5785 1 16 . 1 1 4 4 CYS N N 4 119.765 119.765 114.712 5.053 25848 5786 1 16 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.762 0.035 25848 5787 1 16 . 1 1 4 4 CYS C C 4 173.263 173.263 175.126 -1.863 25848 5788 1 16 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.876 12.425 25848 5789 1 16 . 1 1 4 4 CYS H H 4 8.317 8.317 8.439 -0.122 25848 5790 1 16 . 1 1 5 5 ILE N N 5 122.940 122.940 123.191 -0.251 25848 5791 1 16 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.038 -0.150 25848 5792 1 16 . 1 1 5 5 ILE C C 5 173.890 173.890 176.114 -2.224 25848 5793 1 16 . 1 1 5 5 ILE CA C 5 62.516 62.516 62.122 0.394 25848 5794 1 16 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.386 0.894 25848 5795 1 16 . 1 1 5 5 ILE H H 5 8.912 8.912 8.092 0.820 25848 5796 1 16 . 1 1 6 6 ARG N N 6 125.981 125.981 127.091 -1.110 25848 5797 1 16 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.181 -0.319 25848 5798 1 16 . 1 1 6 6 ARG C C 6 174.259 174.259 175.945 -1.686 25848 5799 1 16 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.150 -0.132 25848 5800 1 16 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.587 1.190 25848 5801 1 16 . 1 1 6 6 ARG H H 6 7.528 7.528 8.364 -0.836 25848 5802 1 16 . 1 1 7 7 LYS N N 7 116.267 116.267 122.584 -6.317 25848 5803 1 16 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.950 -0.664 25848 5804 1 16 . 1 1 7 7 LYS C C 7 175.417 175.417 176.754 -1.337 25848 5805 1 16 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.648 0.675 25848 5806 1 16 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.712 -0.041 25848 5807 1 16 . 1 1 7 7 LYS H H 7 7.558 7.558 8.402 -0.844 25848 5808 1 16 . 1 1 8 8 TRP N N 8 115.300 115.300 122.660 -7.360 25848 5809 1 16 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.346 -0.086 25848 5810 1 16 . 1 1 8 8 TRP C C 8 175.069 175.069 175.614 -0.545 25848 5811 1 16 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.118 -0.110 25848 5812 1 16 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.852 0.835 25848 5813 1 16 . 1 1 8 8 TRP H H 8 9.357 9.357 8.171 1.186 25848 5814 1 16 . 1 1 9 9 LEU N N 9 120.240 120.240 119.995 0.245 25848 5815 1 16 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.662 0.035 25848 5816 1 16 . 1 1 9 9 LEU C C 9 176.636 176.636 176.235 0.401 25848 5817 1 16 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.793 -2.545 25848 5818 1 16 . 1 1 9 9 LEU H H 9 7.701 7.701 7.928 -0.227 25848 5819 1 16 . 1 1 10 10 SER N N 10 110.077 110.077 110.571 -0.494 25848 5820 1 16 . 1 1 10 10 SER HA H 10 4.704 4.704 4.773 -0.069 25848 5821 1 16 . 1 1 10 10 SER CB C 10 64.064 64.064 64.227 -0.163 25848 5822 1 16 . 1 1 10 10 SER H H 10 8.148 8.148 8.085 0.063 25848 5823 1 16 . 1 1 11 11 CYS N N 11 121.141 121.141 125.175 -4.034 25848 5824 1 16 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.796 0.074 25848 5825 1 16 . 1 1 11 11 CYS CB C 11 44.031 44.031 28.058 15.973 25848 5826 1 16 . 1 1 11 11 CYS H H 11 8.580 8.580 8.938 -0.358 25848 5827 1 16 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.761 -0.196 25848 5828 1 16 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.356 -0.159 25848 5829 1 16 . 1 1 12 12 VAL H H 12 7.776 7.776 7.873 -0.097 25848 5830 1 16 . 1 1 15 15 LYS N N 15 117.195 117.195 124.075 -6.880 25848 5831 1 16 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.147 0.212 25848 5832 1 16 . 1 1 15 15 LYS C C 15 177.505 177.505 177.298 0.207 25848 5833 1 16 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.148 1.294 25848 5834 1 16 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.376 0.195 25848 5835 1 16 . 1 1 15 15 LYS H H 15 7.936 7.936 8.673 -0.737 25848 5836 1 16 . 1 1 16 16 ASN N N 16 115.005 115.005 117.205 -2.200 25848 5837 1 16 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.568 0.507 25848 5838 1 16 . 1 1 16 16 ASN C C 16 176.707 176.707 174.886 1.821 25848 5839 1 16 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.058 -1.048 25848 5840 1 16 . 1 1 16 16 ASN CB C 16 39.169 39.169 37.654 1.515 25848 5841 1 16 . 1 1 16 16 ASN H H 16 8.644 8.644 8.624 0.020 25848 5842 1 16 . 1 1 17 17 ASP N N 17 118.040 118.040 119.438 -1.398 25848 5843 1 16 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.907 -0.044 25848 5844 1 16 . 1 1 17 17 ASP C C 17 176.756 176.756 176.097 0.659 25848 5845 1 16 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.266 0.744 25848 5846 1 16 . 1 1 17 17 ASP H H 17 7.592 7.592 7.947 -0.355 25848 5847 1 16 . 1 1 18 18 CYS N N 18 119.499 119.499 117.987 1.512 25848 5848 1 16 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.293 0.607 25848 5849 1 16 . 1 1 18 18 CYS C C 18 176.186 176.186 174.664 1.522 25848 5850 1 16 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.691 11.196 25848 5851 1 16 . 1 1 18 18 CYS H H 18 8.729 8.729 7.745 0.984 25848 5852 1 16 . 1 1 19 19 CYS N N 19 120.655 120.655 112.806 7.849 25848 5853 1 16 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.377 0.038 25848 5854 1 16 . 1 1 19 19 CYS C C 19 171.719 171.719 172.736 -1.017 25848 5855 1 16 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.060 -3.491 25848 5856 1 16 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.763 11.154 25848 5857 1 16 . 1 1 19 19 CYS H H 19 9.086 9.086 8.027 1.059 25848 5858 1 16 . 1 1 20 20 GLU N N 20 118.445 118.445 122.882 -4.437 25848 5859 1 16 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.301 -0.370 25848 5860 1 16 . 1 1 20 20 GLU C C 20 176.509 176.509 176.516 -0.007 25848 5861 1 16 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.923 0.897 25848 5862 1 16 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.743 0.160 25848 5863 1 16 . 1 1 20 20 GLU H H 20 8.155 8.155 8.819 -0.664 25848 5864 1 16 . 1 1 21 21 GLY N N 21 113.662 113.662 112.723 0.939 25848 5865 1 16 . 1 1 21 21 GLY C C 21 172.614 172.614 172.795 -0.181 25848 5866 1 16 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.133 -0.602 25848 5867 1 16 . 1 1 21 21 GLY H H 21 8.719 8.719 8.491 0.228 25848 5868 1 16 . 1 1 22 22 LEU N N 22 120.372 120.372 118.505 1.867 25848 5869 1 16 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.234 -0.153 25848 5870 1 16 . 1 1 22 22 LEU C C 22 174.927 174.927 175.902 -0.975 25848 5871 1 16 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.042 -0.592 25848 5872 1 16 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.903 -1.392 25848 5873 1 16 . 1 1 22 22 LEU H H 22 7.641 7.641 7.170 0.471 25848 5874 1 16 . 1 1 23 23 GLU N N 23 117.193 117.193 118.606 -1.413 25848 5875 1 16 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.618 0.090 25848 5876 1 16 . 1 1 23 23 GLU C C 23 173.821 173.821 174.768 -0.947 25848 5877 1 16 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.533 -1.201 25848 5878 1 16 . 1 1 23 23 GLU CB C 23 32.486 32.486 34.522 -2.035 25848 5879 1 16 . 1 1 23 23 GLU H H 23 9.299 9.299 8.648 0.651 25848 5880 1 16 . 1 1 24 24 CYS N N 24 123.260 123.260 124.455 -1.195 25848 5881 1 16 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.429 0.372 25848 5882 1 16 . 1 1 24 24 CYS CB C 24 40.295 40.295 25.732 14.563 25848 5883 1 16 . 1 1 24 24 CYS H H 24 8.953 8.953 8.819 0.134 25848 5884 1 16 . 1 1 25 25 TYR N N 25 134.523 134.523 130.010 4.513 25848 5885 1 16 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.765 0.048 25848 5886 1 16 . 1 1 25 25 TYR C C 25 173.768 173.768 173.499 0.269 25848 5887 1 16 . 1 1 25 25 TYR CB C 25 43.346 43.346 42.206 1.140 25848 5888 1 16 . 1 1 25 25 TYR H H 25 9.338 9.338 8.780 0.558 25848 5889 1 16 . 1 1 26 26 LYS N N 26 127.496 127.496 123.870 3.626 25848 5890 1 16 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.194 -0.098 25848 5891 1 16 . 1 1 26 26 LYS C C 26 174.360 174.360 175.721 -1.361 25848 5892 1 16 . 1 1 26 26 LYS CA C 26 55.938 55.938 55.246 0.692 25848 5893 1 16 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.483 -0.816 25848 5894 1 16 . 1 1 26 26 LYS H H 26 8.176 8.176 7.966 0.210 25848 5895 1 16 . 1 1 27 27 ARG N N 27 125.899 125.899 122.849 3.050 25848 5896 1 16 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.367 -0.142 25848 5897 1 16 . 1 1 27 27 ARG C C 27 174.385 174.385 176.511 -2.126 25848 5898 1 16 . 1 1 27 27 ARG CA C 27 55.989 55.989 55.281 0.708 25848 5899 1 16 . 1 1 27 27 ARG CB C 27 32.009 32.009 30.952 1.057 25848 5900 1 16 . 1 1 27 27 ARG H H 27 7.493 7.493 8.465 -0.972 25848 5901 1 16 . 1 1 28 28 ARG N N 28 121.214 121.214 120.792 0.422 25848 5902 1 16 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.135 -0.223 25848 5903 1 16 . 1 1 28 28 ARG C C 28 176.613 176.613 177.062 -0.449 25848 5904 1 16 . 1 1 28 28 ARG CA C 28 57.614 57.614 58.106 -0.492 25848 5905 1 16 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.215 -0.540 25848 5906 1 16 . 1 1 28 28 ARG H H 28 8.519 8.519 8.524 -0.005 25848 5907 1 16 . 1 1 29 29 HIS N N 29 116.413 116.413 114.833 1.580 25848 5908 1 16 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.778 -0.298 25848 5909 1 16 . 1 1 29 29 HIS C C 29 174.166 174.166 173.819 0.347 25848 5910 1 16 . 1 1 29 29 HIS CA C 29 56.020 56.020 55.490 0.530 25848 5911 1 16 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.387 -2.253 25848 5912 1 16 . 1 1 29 29 HIS H H 29 8.771 8.771 8.177 0.594 25848 5913 1 16 . 1 1 30 30 SER N N 30 113.403 113.403 115.673 -2.270 25848 5914 1 16 . 1 1 30 30 SER HA H 30 4.469 4.469 4.695 -0.226 25848 5915 1 16 . 1 1 30 30 SER C C 30 173.332 173.332 173.095 0.237 25848 5916 1 16 . 1 1 30 30 SER CA C 30 57.257 57.257 57.288 -0.031 25848 5917 1 16 . 1 1 30 30 SER CB C 30 63.559 63.559 64.742 -1.183 25848 5918 1 16 . 1 1 30 30 SER H H 30 7.826 7.826 7.898 -0.072 25848 5919 1 16 . 1 1 31 31 PHE N N 31 118.662 118.662 121.318 -2.656 25848 5920 1 16 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.451 0.342 25848 5921 1 16 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.419 0.893 25848 5922 1 16 . 1 1 31 31 PHE H H 31 7.801 7.801 8.288 -0.487 25848 5923 1 16 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.279 0.331 25848 5924 1 16 . 1 1 32 32 GLU CB C 32 30.289 30.289 29.512 0.777 25848 5925 1 16 . 1 1 33 33 VAL N N 33 121.027 121.027 115.173 5.854 25848 5926 1 16 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.811 0.290 25848 5927 1 16 . 1 1 33 33 VAL C C 33 175.754 175.754 174.511 1.243 25848 5928 1 16 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.264 -0.719 25848 5929 1 16 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.791 1.673 25848 5930 1 16 . 1 1 33 33 VAL H H 33 8.581 8.581 7.847 0.734 25848 5931 1 16 . 1 1 34 34 CYS N N 34 119.365 119.365 119.059 0.306 25848 5932 1 16 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.997 0.067 25848 5933 1 16 . 1 1 34 34 CYS C C 34 174.853 174.853 175.149 -0.296 25848 5934 1 16 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.768 -5.073 25848 5935 1 16 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.902 14.072 25848 5936 1 16 . 1 1 34 34 CYS H H 34 7.968 7.968 8.714 -0.746 25848 5937 1 16 . 1 1 35 35 VAL N N 35 122.141 122.141 116.911 5.230 25848 5938 1 16 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.070 0.398 25848 5939 1 16 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.910 0.120 25848 5940 1 16 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.708 -0.492 25848 5941 1 16 . 1 1 35 35 VAL H H 35 9.611 9.611 8.798 0.813 25848 5942 1 16 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.635 -0.237 25848 5943 1 16 . 1 1 36 36 PRO C C 36 176.509 176.509 176.626 -0.117 25848 5944 1 16 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.395 0.925 25848 5945 1 16 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.887 0.225 25848 5946 1 16 . 1 1 37 37 ILE N N 37 125.294 125.294 125.992 -0.698 25848 5947 1 16 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.326 -0.195 25848 5948 1 16 . 1 1 37 37 ILE CA C 37 59.790 59.790 58.974 0.816 25848 5949 1 16 . 1 1 37 37 ILE CB C 37 39.566 39.566 37.765 1.801 25848 5950 1 16 . 1 1 37 37 ILE H H 37 7.927 7.927 7.846 0.081 25848 5951 1 16 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.528 -0.191 25848 5952 1 16 . 1 1 38 38 PRO C C 38 177.800 177.800 177.544 0.256 25848 5953 1 16 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.557 0.537 25848 5954 1 16 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.977 -0.245 25848 5955 1 16 . 1 1 39 39 GLY N N 39 112.745 112.745 112.363 0.382 25848 5956 1 16 . 1 1 39 39 GLY C C 39 174.463 174.463 174.815 -0.352 25848 5957 1 16 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.229 0.234 25848 5958 1 16 . 1 1 39 39 GLY H H 39 8.843 8.843 8.490 0.353 25848 5959 1 16 . 1 1 40 40 PHE N N 40 120.803 120.803 119.999 0.804 25848 5960 1 16 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.472 -0.151 25848 5961 1 16 . 1 1 40 40 PHE C C 40 174.706 174.706 174.995 -0.289 25848 5962 1 16 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.276 0.392 25848 5963 1 16 . 1 1 40 40 PHE CB C 40 39.815 39.815 39.928 -0.113 25848 5964 1 16 . 1 1 40 40 PHE H H 40 7.762 7.762 7.544 0.218 25848 5965 1 16 . 1 1 41 41 CYS N N 41 120.807 120.807 121.573 -0.766 25848 5966 1 16 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.499 0.075 25848 5967 1 16 . 1 1 41 41 CYS C C 41 171.732 171.732 171.860 -0.128 25848 5968 1 16 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.319 -1.653 25848 5969 1 16 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.537 13.572 25848 5970 1 16 . 1 1 41 41 CYS H H 41 7.040 7.040 7.394 -0.354 25848 5971 1 16 . 1 1 42 42 LEU N N 42 119.987 119.987 119.546 0.441 25848 5972 1 16 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.673 -0.401 25848 5973 1 16 . 1 1 42 42 LEU C C 42 173.872 173.872 175.954 -2.082 25848 5974 1 16 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.878 0.125 25848 5975 1 16 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.688 -0.862 25848 5976 1 16 . 1 1 42 42 LEU H H 42 8.728 8.728 8.068 0.660 25848 5977 1 16 . 1 1 43 43 VAL N N 43 115.632 115.632 115.855 -0.223 25848 5978 1 16 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.381 -0.573 25848 5979 1 16 . 1 1 43 43 VAL C C 43 173.751 173.751 175.805 -2.054 25848 5980 1 16 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.545 -0.287 25848 5981 1 16 . 1 1 43 43 VAL CB C 43 32.857 32.857 33.874 -1.018 25848 5982 1 16 . 1 1 43 43 VAL H H 43 7.192 7.192 8.075 -0.883 25848 5983 1 16 . 1 1 44 44 LYS N N 44 117.023 117.023 116.548 0.475 25848 5984 1 16 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.076 -0.846 25848 5985 1 16 . 1 1 44 44 LYS C C 44 176.385 176.385 175.203 1.182 25848 5986 1 16 . 1 1 44 44 LYS CA C 44 58.773 58.773 57.828 0.945 25848 5987 1 16 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.700 0.331 25848 5988 1 16 . 1 1 44 44 LYS H H 44 7.531 7.531 8.504 -0.973 25848 5989 1 16 . 1 1 45 45 TRP N N 45 117.377 117.377 118.763 -1.386 25848 5990 1 16 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.797 -0.350 25848 5991 1 16 . 1 1 45 45 TRP C C 45 175.675 175.675 175.407 0.268 25848 5992 1 16 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.332 1.689 25848 5993 1 16 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.253 -2.259 25848 5994 1 16 . 1 1 45 45 TRP H H 45 9.364 9.364 7.524 1.840 25848 5995 1 16 . 1 1 46 46 LYS N N 46 119.913 119.913 119.843 0.070 25848 5996 1 16 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.768 -0.378 25848 5997 1 16 . 1 1 46 46 LYS C C 46 176.776 176.776 175.885 0.891 25848 5998 1 16 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.698 0.463 25848 5999 1 16 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.264 -1.598 25848 6000 1 16 . 1 1 46 46 LYS H H 46 7.985 7.985 7.458 0.527 25848 6001 1 16 . 1 1 47 47 GLN N N 47 121.031 121.031 120.208 0.823 25848 6002 1 16 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.335 0.544 25848 6003 1 16 . 1 1 47 47 GLN C C 47 177.118 177.118 176.744 0.374 25848 6004 1 16 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.982 -0.426 25848 6005 1 16 . 1 1 47 47 GLN H H 47 8.623 8.623 8.754 -0.131 25848 6006 1 16 . 1 1 48 48 CYS N N 48 115.456 115.456 120.667 -5.211 25848 6007 1 16 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.713 0.043 25848 6008 1 16 . 1 1 48 48 CYS C C 48 173.978 173.978 175.565 -1.587 25848 6009 1 16 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.089 14.900 25848 6010 1 16 . 1 1 48 48 CYS H H 48 8.365 8.365 8.506 -0.141 25848 6011 1 16 . 1 1 49 49 ASP N N 49 123.208 123.208 123.444 -0.236 25848 6012 1 16 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.406 0.042 25848 6013 1 16 . 1 1 49 49 ASP C C 49 177.773 177.773 177.662 0.111 25848 6014 1 16 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.414 0.574 25848 6015 1 16 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.609 0.471 25848 6016 1 16 . 1 1 49 49 ASP H H 49 7.839 7.839 7.751 0.088 25848 6017 1 16 . 1 1 50 50 GLY N N 50 115.583 115.583 115.922 -0.339 25848 6018 1 16 . 1 1 50 50 GLY C C 50 173.522 173.522 175.204 -1.682 25848 6019 1 16 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.534 0.750 25848 6020 1 16 . 1 1 50 50 GLY H H 50 9.371 9.371 8.928 0.443 25848 6021 1 16 . 1 1 51 51 ARG N N 51 122.794 122.794 122.283 0.511 25848 6022 1 16 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.640 0.018 25848 6023 1 16 . 1 1 51 51 ARG C C 51 176.977 176.977 176.864 0.113 25848 6024 1 16 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.480 0.272 25848 6025 1 16 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.508 1.575 25848 6026 1 16 . 1 1 51 51 ARG H H 51 8.199 8.199 8.034 0.165 25848 6027 1 16 . 1 1 52 52 GLU N N 52 117.957 117.957 117.992 -0.035 25848 6028 1 16 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.124 -0.050 25848 6029 1 16 . 1 1 52 52 GLU C C 52 178.254 178.254 176.405 1.849 25848 6030 1 16 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.506 2.724 25848 6031 1 16 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.043 -0.235 25848 6032 1 16 . 1 1 52 52 GLU H H 52 8.992 8.992 8.614 0.378 25848 6033 1 16 . 1 1 53 53 ARG N N 53 116.423 116.423 117.060 -0.637 25848 6034 1 16 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.539 0.025 25848 6035 1 16 . 1 1 53 53 ARG C C 53 177.327 177.327 175.274 2.053 25848 6036 1 16 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.952 -0.472 25848 6037 1 16 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.262 -0.997 25848 6038 1 16 . 1 1 53 53 ARG H H 53 8.513 8.513 7.916 0.597 25848 6039 1 16 . 1 1 54 54 ASP N N 54 118.043 118.043 120.031 -1.988 25848 6040 1 16 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.786 0.029 25848 6041 1 16 . 1 1 54 54 ASP C C 54 176.941 176.941 175.220 1.721 25848 6042 1 16 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.609 -2.862 25848 6043 1 16 . 1 1 54 54 ASP H H 54 7.933 7.933 7.916 0.017 25848 6044 1 16 . 1 1 55 55 CYS N N 55 118.999 118.999 118.418 0.581 25848 6045 1 16 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.160 0.817 25848 6046 1 16 . 1 1 55 55 CYS C C 55 175.757 175.757 175.464 0.293 25848 6047 1 16 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.940 -4.951 25848 6048 1 16 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.302 11.132 25848 6049 1 16 . 1 1 55 55 CYS H H 55 8.222 8.222 7.586 0.636 25848 6050 1 16 . 1 1 56 56 CYS N N 56 121.139 121.139 119.799 1.340 25848 6051 1 16 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.299 0.035 25848 6052 1 16 . 1 1 56 56 CYS C C 56 171.957 171.957 175.659 -3.702 25848 6053 1 16 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.851 -5.360 25848 6054 1 16 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.150 12.863 25848 6055 1 16 . 1 1 56 56 CYS H H 56 8.999 8.999 8.053 0.946 25848 6056 1 16 . 1 1 57 57 ALA N N 57 120.553 120.553 124.517 -3.964 25848 6057 1 16 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.115 -0.042 25848 6058 1 16 . 1 1 57 57 ALA C C 57 178.248 178.248 178.131 0.117 25848 6059 1 16 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.025 0.739 25848 6060 1 16 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.077 0.320 25848 6061 1 16 . 1 1 57 57 ALA H H 57 8.084 8.084 8.563 -0.479 25848 6062 1 16 . 1 1 58 58 GLY N N 58 110.247 110.247 111.700 -1.453 25848 6063 1 16 . 1 1 58 58 GLY C C 58 173.204 173.204 173.747 -0.543 25848 6064 1 16 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.705 0.053 25848 6065 1 16 . 1 1 58 58 GLY H H 58 8.713 8.713 8.610 0.103 25848 6066 1 16 . 1 1 59 59 LEU N N 59 120.155 120.155 121.477 -1.322 25848 6067 1 16 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.541 0.425 25848 6068 1 16 . 1 1 59 59 LEU C C 59 175.349 175.349 176.065 -0.716 25848 6069 1 16 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.836 -2.391 25848 6070 1 16 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.393 1.091 25848 6071 1 16 . 1 1 59 59 LEU H H 59 7.901 7.901 7.347 0.554 25848 6072 1 16 . 1 1 60 60 GLU N N 60 117.726 117.726 115.079 2.647 25848 6073 1 16 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.508 0.172 25848 6074 1 16 . 1 1 60 60 GLU C C 60 174.016 174.016 174.617 -0.601 25848 6075 1 16 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.241 0.354 25848 6076 1 16 . 1 1 60 60 GLU H H 60 9.145 9.145 8.175 0.970 25848 6077 1 16 . 1 1 61 61 CYS N N 61 122.299 122.299 121.849 0.450 25848 6078 1 16 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.536 0.310 25848 6079 1 16 . 1 1 61 61 CYS C C 61 173.374 173.374 174.801 -1.427 25848 6080 1 16 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.483 13.991 25848 6081 1 16 . 1 1 61 61 CYS H H 61 9.064 9.064 8.896 0.168 25848 6082 1 16 . 1 1 62 62 TRP N N 62 135.668 135.668 130.819 4.849 25848 6083 1 16 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.573 0.325 25848 6084 1 16 . 1 1 62 62 TRP C C 62 174.430 174.430 174.610 -0.180 25848 6085 1 16 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.854 0.612 25848 6086 1 16 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.750 0.235 25848 6087 1 16 . 1 1 62 62 TRP H H 62 9.434 9.434 8.533 0.901 25848 6088 1 16 . 1 1 63 63 LYS N N 63 128.624 128.624 128.358 0.266 25848 6089 1 16 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.402 -0.055 25848 6090 1 16 . 1 1 63 63 LYS C C 63 175.409 175.409 175.679 -0.270 25848 6091 1 16 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.105 0.516 25848 6092 1 16 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.570 -0.052 25848 6093 1 16 . 1 1 63 63 LYS H H 63 8.392 8.392 8.651 -0.259 25848 6094 1 16 . 1 1 64 64 ARG N N 64 125.507 125.507 125.267 0.240 25848 6095 1 16 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.368 -0.433 25848 6096 1 16 . 1 1 64 64 ARG C C 64 175.704 175.704 174.926 0.778 25848 6097 1 16 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.270 0.584 25848 6098 1 16 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.101 0.395 25848 6099 1 16 . 1 1 64 64 ARG H H 64 7.877 7.877 8.101 -0.224 25848 6100 1 16 . 1 1 65 65 SER N N 65 115.709 115.709 119.438 -3.729 25848 6101 1 16 . 1 1 65 65 SER HA H 65 4.306 4.306 4.750 -0.444 25848 6102 1 16 . 1 1 65 65 SER C C 65 175.289 175.289 175.146 0.143 25848 6103 1 16 . 1 1 65 65 SER CA C 65 58.778 58.778 57.429 1.349 25848 6104 1 16 . 1 1 65 65 SER CB C 65 63.667 63.667 65.142 -1.475 25848 6105 1 16 . 1 1 65 65 SER H H 65 8.198 8.198 8.257 -0.059 25848 6106 1 16 . 1 1 66 66 GLY N N 66 110.671 110.671 113.693 -3.022 25848 6107 1 16 . 1 1 66 66 GLY C C 66 174.634 174.634 174.606 0.028 25848 6108 1 16 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.121 0.959 25848 6109 1 16 . 1 1 66 66 GLY H H 66 8.675 8.675 8.701 -0.026 25848 6110 1 16 . 1 1 67 67 ASN N N 67 118.608 118.608 117.788 0.820 25848 6111 1 16 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.885 -0.223 25848 6112 1 16 . 1 1 67 67 ASN C C 67 175.108 175.108 175.721 -0.613 25848 6113 1 16 . 1 1 67 67 ASN CA C 67 52.755 52.755 53.974 -1.219 25848 6114 1 16 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.316 -0.816 25848 6115 1 16 . 1 1 67 67 ASN H H 67 8.374 8.374 8.282 0.092 25848 6116 1 16 . 1 1 68 68 LYS N N 68 119.218 119.218 118.956 0.262 25848 6117 1 16 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.521 -0.191 25848 6118 1 16 . 1 1 68 68 LYS C C 68 176.405 176.405 175.665 0.740 25848 6119 1 16 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.258 1.149 25848 6120 1 16 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.053 -0.146 25848 6121 1 16 . 1 1 68 68 LYS H H 68 7.816 7.816 7.751 0.065 25848 6122 1 16 . 1 1 69 69 SER N N 69 115.165 115.165 115.816 -0.651 25848 6123 1 16 . 1 1 69 69 SER HA H 69 4.615 4.615 4.451 0.164 25848 6124 1 16 . 1 1 69 69 SER C C 69 174.381 174.381 174.299 0.082 25848 6125 1 16 . 1 1 69 69 SER CA C 69 57.773 57.773 58.675 -0.902 25848 6126 1 16 . 1 1 69 69 SER CB C 69 64.533 64.533 63.890 0.643 25848 6127 1 16 . 1 1 69 69 SER H H 69 8.176 8.176 8.293 -0.117 25848 6128 1 16 . 1 1 70 70 SER N N 70 121.583 121.583 116.096 5.487 25848 6129 1 16 . 1 1 70 70 SER HA H 70 5.011 5.011 4.383 0.628 25848 6130 1 16 . 1 1 70 70 SER C C 70 175.256 175.256 174.570 0.686 25848 6131 1 16 . 1 1 70 70 SER CA C 70 58.455 58.455 58.567 -0.112 25848 6132 1 16 . 1 1 70 70 SER CB C 70 63.987 63.987 63.465 0.522 25848 6133 1 16 . 1 1 70 70 SER H H 70 9.539 9.539 8.338 1.201 25848 6134 1 16 . 1 1 71 71 VAL N N 71 115.977 115.977 118.349 -2.372 25848 6135 1 16 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.928 0.410 25848 6136 1 16 . 1 1 71 71 VAL C C 71 176.220 176.220 175.007 1.213 25848 6137 1 16 . 1 1 71 71 VAL CA C 71 58.655 58.655 58.568 0.087 25848 6138 1 16 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.736 2.686 25848 6139 1 16 . 1 1 71 71 VAL H H 71 8.502 8.502 7.873 0.629 25848 6140 1 16 . 1 1 72 72 CYS N N 72 120.794 120.794 118.795 1.999 25848 6141 1 16 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.505 -0.480 25848 6142 1 16 . 1 1 72 72 CYS C C 72 174.142 174.142 174.543 -0.401 25848 6143 1 16 . 1 1 72 72 CYS CA C 72 54.465 54.465 58.241 -3.776 25848 6144 1 16 . 1 1 72 72 CYS CB C 72 38.458 38.458 28.496 9.962 25848 6145 1 16 . 1 1 72 72 CYS H H 72 8.557 8.557 8.119 0.438 25848 6146 1 16 . 1 1 73 73 ALA N N 73 130.318 130.318 125.665 4.653 25848 6147 1 16 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.660 -0.200 25848 6148 1 16 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.541 0.056 25848 6149 1 16 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.613 0.921 25848 6150 1 16 . 1 1 73 73 ALA H H 73 9.629 9.629 8.536 1.093 25848 6151 1 16 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.470 0.030 25848 6152 1 16 . 1 1 74 74 PRO C C 74 176.504 176.504 176.676 -0.172 25848 6153 1 16 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.929 1.290 25848 6154 1 16 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.331 -0.428 25848 6155 1 16 . 1 1 75 75 ILE N N 75 122.019 122.019 116.294 5.725 25848 6156 1 16 . 1 1 75 75 ILE HA H 75 3.944 3.944 3.974 -0.030 25848 6157 1 16 . 1 1 75 75 ILE C C 75 175.793 175.793 175.758 0.035 25848 6158 1 16 . 1 1 75 75 ILE CA C 75 62.346 62.346 62.032 0.314 25848 6159 1 16 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.381 1.588 25848 6160 1 16 . 1 1 75 75 ILE H H 75 7.769 7.769 8.066 -0.297 25848 6161 1 17 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.708 0.003 25848 6162 1 17 . 1 1 2 2 ASN C C 2 174.785 174.785 175.207 -0.422 25848 6163 1 17 . 1 1 2 2 ASN CB C 2 38.820 38.820 38.919 -0.099 25848 6164 1 17 . 1 1 3 3 GLU N N 3 121.744 121.744 121.724 0.020 25848 6165 1 17 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.404 -0.056 25848 6166 1 17 . 1 1 3 3 GLU C C 3 176.060 176.060 176.488 -0.428 25848 6167 1 17 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.361 -0.094 25848 6168 1 17 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.876 -0.689 25848 6169 1 17 . 1 1 3 3 GLU H H 3 8.470 8.470 8.744 -0.274 25848 6170 1 17 . 1 1 4 4 CYS N N 4 119.765 119.765 116.318 3.447 25848 6171 1 17 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.747 0.050 25848 6172 1 17 . 1 1 4 4 CYS C C 4 173.263 173.263 175.139 -1.876 25848 6173 1 17 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.531 12.770 25848 6174 1 17 . 1 1 4 4 CYS H H 4 8.317 8.317 8.507 -0.190 25848 6175 1 17 . 1 1 5 5 ILE N N 5 122.940 122.940 123.477 -0.537 25848 6176 1 17 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.026 -0.138 25848 6177 1 17 . 1 1 5 5 ILE C C 5 173.890 173.890 175.893 -2.003 25848 6178 1 17 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.882 0.634 25848 6179 1 17 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.090 1.190 25848 6180 1 17 . 1 1 5 5 ILE H H 5 8.912 8.912 8.061 0.851 25848 6181 1 17 . 1 1 6 6 ARG N N 6 125.981 125.981 127.524 -1.543 25848 6182 1 17 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.113 -0.251 25848 6183 1 17 . 1 1 6 6 ARG C C 6 174.259 174.259 175.992 -1.733 25848 6184 1 17 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.442 -0.424 25848 6185 1 17 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.538 1.239 25848 6186 1 17 . 1 1 6 6 ARG H H 6 7.528 7.528 8.441 -0.913 25848 6187 1 17 . 1 1 7 7 LYS N N 7 116.267 116.267 122.569 -6.302 25848 6188 1 17 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.944 -0.658 25848 6189 1 17 . 1 1 7 7 LYS C C 7 175.417 175.417 176.751 -1.334 25848 6190 1 17 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.435 0.888 25848 6191 1 17 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.825 -0.153 25848 6192 1 17 . 1 1 7 7 LYS H H 7 7.558 7.558 8.378 -0.820 25848 6193 1 17 . 1 1 8 8 TRP N N 8 115.300 115.300 122.328 -7.028 25848 6194 1 17 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.328 -0.068 25848 6195 1 17 . 1 1 8 8 TRP C C 8 175.069 175.069 175.604 -0.535 25848 6196 1 17 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.151 -0.143 25848 6197 1 17 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.867 0.820 25848 6198 1 17 . 1 1 8 8 TRP H H 8 9.357 9.357 8.139 1.218 25848 6199 1 17 . 1 1 9 9 LEU N N 9 120.240 120.240 119.531 0.709 25848 6200 1 17 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.664 0.033 25848 6201 1 17 . 1 1 9 9 LEU C C 9 176.636 176.636 176.102 0.534 25848 6202 1 17 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.791 -2.543 25848 6203 1 17 . 1 1 9 9 LEU H H 9 7.701 7.701 7.911 -0.210 25848 6204 1 17 . 1 1 10 10 SER N N 10 110.077 110.077 110.641 -0.564 25848 6205 1 17 . 1 1 10 10 SER HA H 10 4.704 4.704 4.822 -0.118 25848 6206 1 17 . 1 1 10 10 SER CB C 10 64.064 64.064 64.133 -0.069 25848 6207 1 17 . 1 1 10 10 SER H H 10 8.148 8.148 8.061 0.087 25848 6208 1 17 . 1 1 11 11 CYS N N 11 121.141 121.141 124.596 -3.455 25848 6209 1 17 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.690 0.180 25848 6210 1 17 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.720 16.311 25848 6211 1 17 . 1 1 11 11 CYS H H 11 8.580 8.580 9.110 -0.530 25848 6212 1 17 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.670 -0.105 25848 6213 1 17 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.732 -0.535 25848 6214 1 17 . 1 1 12 12 VAL H H 12 7.776 7.776 8.054 -0.278 25848 6215 1 17 . 1 1 15 15 LYS N N 15 117.195 117.195 122.447 -5.252 25848 6216 1 17 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.130 0.229 25848 6217 1 17 . 1 1 15 15 LYS C C 15 177.505 177.505 177.377 0.128 25848 6218 1 17 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.099 1.343 25848 6219 1 17 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.326 0.245 25848 6220 1 17 . 1 1 15 15 LYS H H 15 7.936 7.936 8.500 -0.564 25848 6221 1 17 . 1 1 16 16 ASN N N 16 115.005 115.005 118.141 -3.136 25848 6222 1 17 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.687 0.388 25848 6223 1 17 . 1 1 16 16 ASN C C 16 176.707 176.707 175.172 1.535 25848 6224 1 17 . 1 1 16 16 ASN CA C 16 53.010 53.010 55.001 -1.991 25848 6225 1 17 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.343 0.826 25848 6226 1 17 . 1 1 16 16 ASN H H 16 8.644 8.644 8.482 0.162 25848 6227 1 17 . 1 1 17 17 ASP N N 17 118.040 118.040 117.654 0.386 25848 6228 1 17 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.829 0.034 25848 6229 1 17 . 1 1 17 17 ASP C C 17 176.756 176.756 175.520 1.236 25848 6230 1 17 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.350 0.659 25848 6231 1 17 . 1 1 17 17 ASP H H 17 7.592 7.592 8.031 -0.439 25848 6232 1 17 . 1 1 18 18 CYS N N 18 119.499 119.499 118.096 1.403 25848 6233 1 17 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.252 0.648 25848 6234 1 17 . 1 1 18 18 CYS C C 18 176.186 176.186 174.718 1.468 25848 6235 1 17 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.616 11.271 25848 6236 1 17 . 1 1 18 18 CYS H H 18 8.729 8.729 7.945 0.784 25848 6237 1 17 . 1 1 19 19 CYS N N 19 120.655 120.655 112.681 7.974 25848 6238 1 17 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.385 0.030 25848 6239 1 17 . 1 1 19 19 CYS C C 19 171.719 171.719 172.737 -1.018 25848 6240 1 17 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.001 -3.432 25848 6241 1 17 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.720 11.197 25848 6242 1 17 . 1 1 19 19 CYS H H 19 9.086 9.086 8.071 1.015 25848 6243 1 17 . 1 1 20 20 GLU N N 20 118.445 118.445 123.436 -4.991 25848 6244 1 17 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.291 -0.360 25848 6245 1 17 . 1 1 20 20 GLU C C 20 176.509 176.509 176.542 -0.033 25848 6246 1 17 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.990 0.830 25848 6247 1 17 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.659 0.244 25848 6248 1 17 . 1 1 20 20 GLU H H 20 8.155 8.155 8.854 -0.699 25848 6249 1 17 . 1 1 21 21 GLY N N 21 113.662 113.662 113.255 0.407 25848 6250 1 17 . 1 1 21 21 GLY C C 21 172.614 172.614 172.929 -0.315 25848 6251 1 17 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.132 -0.601 25848 6252 1 17 . 1 1 21 21 GLY H H 21 8.719 8.719 8.469 0.250 25848 6253 1 17 . 1 1 22 22 LEU N N 22 120.372 120.372 118.371 2.001 25848 6254 1 17 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.246 -0.165 25848 6255 1 17 . 1 1 22 22 LEU C C 22 174.927 174.927 175.910 -0.983 25848 6256 1 17 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.172 -0.722 25848 6257 1 17 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.803 -1.292 25848 6258 1 17 . 1 1 22 22 LEU H H 22 7.641 7.641 7.179 0.462 25848 6259 1 17 . 1 1 23 23 GLU N N 23 117.193 117.193 118.593 -1.400 25848 6260 1 17 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.651 0.057 25848 6261 1 17 . 1 1 23 23 GLU C C 23 173.821 173.821 174.600 -0.779 25848 6262 1 17 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.370 -1.038 25848 6263 1 17 . 1 1 23 23 GLU CB C 23 32.486 32.486 34.532 -2.046 25848 6264 1 17 . 1 1 23 23 GLU H H 23 9.299 9.299 8.736 0.563 25848 6265 1 17 . 1 1 24 24 CYS N N 24 123.260 123.260 120.184 3.076 25848 6266 1 17 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.561 0.240 25848 6267 1 17 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.406 13.889 25848 6268 1 17 . 1 1 24 24 CYS H H 24 8.953 8.953 8.640 0.313 25848 6269 1 17 . 1 1 25 25 TYR N N 25 134.523 134.523 128.589 5.934 25848 6270 1 17 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.597 0.216 25848 6271 1 17 . 1 1 25 25 TYR C C 25 173.768 173.768 174.390 -0.622 25848 6272 1 17 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.551 1.795 25848 6273 1 17 . 1 1 25 25 TYR H H 25 9.338 9.338 8.303 1.035 25848 6274 1 17 . 1 1 26 26 LYS N N 26 127.496 127.496 124.834 2.662 25848 6275 1 17 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.100 -0.004 25848 6276 1 17 . 1 1 26 26 LYS C C 26 174.360 174.360 175.313 -0.953 25848 6277 1 17 . 1 1 26 26 LYS CA C 26 55.938 55.938 55.743 0.195 25848 6278 1 17 . 1 1 26 26 LYS CB C 26 32.667 32.667 32.543 0.124 25848 6279 1 17 . 1 1 26 26 LYS H H 26 8.176 8.176 7.439 0.737 25848 6280 1 17 . 1 1 27 27 ARG N N 27 125.899 125.899 125.718 0.181 25848 6281 1 17 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.305 -0.080 25848 6282 1 17 . 1 1 27 27 ARG C C 27 174.385 174.385 175.497 -1.112 25848 6283 1 17 . 1 1 27 27 ARG CA C 27 55.989 55.989 55.397 0.592 25848 6284 1 17 . 1 1 27 27 ARG CB C 27 32.009 32.009 32.624 -0.615 25848 6285 1 17 . 1 1 27 27 ARG H H 27 7.493 7.493 8.381 -0.888 25848 6286 1 17 . 1 1 28 28 ARG N N 28 121.214 121.214 124.437 -3.223 25848 6287 1 17 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.535 -0.623 25848 6288 1 17 . 1 1 28 28 ARG C C 28 176.613 176.613 176.819 -0.206 25848 6289 1 17 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.460 0.154 25848 6290 1 17 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.089 -0.414 25848 6291 1 17 . 1 1 28 28 ARG H H 28 8.519 8.519 8.612 -0.093 25848 6292 1 17 . 1 1 29 29 HIS N N 29 116.413 116.413 117.384 -0.971 25848 6293 1 17 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.895 -0.415 25848 6294 1 17 . 1 1 29 29 HIS C C 29 174.166 174.166 174.865 -0.699 25848 6295 1 17 . 1 1 29 29 HIS CA C 29 56.020 56.020 56.767 -0.747 25848 6296 1 17 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.331 -2.197 25848 6297 1 17 . 1 1 29 29 HIS H H 29 8.771 8.771 8.140 0.631 25848 6298 1 17 . 1 1 30 30 SER N N 30 113.403 113.403 115.237 -1.834 25848 6299 1 17 . 1 1 30 30 SER HA H 30 4.469 4.469 4.538 -0.069 25848 6300 1 17 . 1 1 30 30 SER C C 30 173.332 173.332 172.821 0.511 25848 6301 1 17 . 1 1 30 30 SER CA C 30 57.257 57.257 57.044 0.213 25848 6302 1 17 . 1 1 30 30 SER CB C 30 63.559 63.559 65.048 -1.489 25848 6303 1 17 . 1 1 30 30 SER H H 30 7.826 7.826 7.307 0.519 25848 6304 1 17 . 1 1 31 31 PHE N N 31 118.662 118.662 119.776 -1.114 25848 6305 1 17 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.563 0.230 25848 6306 1 17 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.326 0.986 25848 6307 1 17 . 1 1 31 31 PHE H H 31 7.801 7.801 8.360 -0.559 25848 6308 1 17 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.353 0.257 25848 6309 1 17 . 1 1 32 32 GLU CB C 32 30.289 30.289 30.403 -0.114 25848 6310 1 17 . 1 1 33 33 VAL N N 33 121.027 121.027 115.516 5.511 25848 6311 1 17 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.559 0.542 25848 6312 1 17 . 1 1 33 33 VAL C C 33 175.754 175.754 174.970 0.784 25848 6313 1 17 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.410 -0.865 25848 6314 1 17 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.140 2.324 25848 6315 1 17 . 1 1 33 33 VAL H H 33 8.581 8.581 8.177 0.404 25848 6316 1 17 . 1 1 34 34 CYS N N 34 119.365 119.365 119.324 0.041 25848 6317 1 17 . 1 1 34 34 CYS HA H 34 5.064 5.064 5.112 -0.048 25848 6318 1 17 . 1 1 34 34 CYS C C 34 174.853 174.853 174.966 -0.113 25848 6319 1 17 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.427 -4.732 25848 6320 1 17 . 1 1 34 34 CYS CB C 34 39.974 39.974 26.120 13.854 25848 6321 1 17 . 1 1 34 34 CYS H H 34 7.968 7.968 8.640 -0.672 25848 6322 1 17 . 1 1 35 35 VAL N N 35 122.141 122.141 116.973 5.168 25848 6323 1 17 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.126 0.342 25848 6324 1 17 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.838 0.192 25848 6325 1 17 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.561 -0.345 25848 6326 1 17 . 1 1 35 35 VAL H H 35 9.611 9.611 8.913 0.698 25848 6327 1 17 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.684 -0.286 25848 6328 1 17 . 1 1 36 36 PRO C C 36 176.509 176.509 176.694 -0.185 25848 6329 1 17 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.111 1.209 25848 6330 1 17 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.905 0.207 25848 6331 1 17 . 1 1 37 37 ILE N N 37 125.294 125.294 125.556 -0.262 25848 6332 1 17 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.390 -0.259 25848 6333 1 17 . 1 1 37 37 ILE CA C 37 59.790 59.790 58.855 0.935 25848 6334 1 17 . 1 1 37 37 ILE CB C 37 39.566 39.566 37.868 1.698 25848 6335 1 17 . 1 1 37 37 ILE H H 37 7.927 7.927 7.839 0.088 25848 6336 1 17 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.554 -0.217 25848 6337 1 17 . 1 1 38 38 PRO C C 38 177.800 177.800 177.557 0.243 25848 6338 1 17 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.582 0.512 25848 6339 1 17 . 1 1 38 38 PRO CB C 38 31.731 31.731 32.015 -0.284 25848 6340 1 17 . 1 1 39 39 GLY N N 39 112.745 112.745 112.295 0.450 25848 6341 1 17 . 1 1 39 39 GLY C C 39 174.463 174.463 174.819 -0.356 25848 6342 1 17 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.241 0.222 25848 6343 1 17 . 1 1 39 39 GLY H H 39 8.843 8.843 8.498 0.345 25848 6344 1 17 . 1 1 40 40 PHE N N 40 120.803 120.803 120.104 0.699 25848 6345 1 17 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.457 -0.136 25848 6346 1 17 . 1 1 40 40 PHE C C 40 174.706 174.706 174.690 0.016 25848 6347 1 17 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.249 0.419 25848 6348 1 17 . 1 1 40 40 PHE CB C 40 39.815 39.815 40.020 -0.205 25848 6349 1 17 . 1 1 40 40 PHE H H 40 7.762 7.762 7.562 0.200 25848 6350 1 17 . 1 1 41 41 CYS N N 41 120.807 120.807 121.169 -0.362 25848 6351 1 17 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.578 -0.004 25848 6352 1 17 . 1 1 41 41 CYS C C 41 171.732 171.732 171.861 -0.129 25848 6353 1 17 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.105 -1.439 25848 6354 1 17 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.690 13.419 25848 6355 1 17 . 1 1 41 41 CYS H H 41 7.040 7.040 7.319 -0.279 25848 6356 1 17 . 1 1 42 42 LEU N N 42 119.987 119.987 119.276 0.711 25848 6357 1 17 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.848 -0.576 25848 6358 1 17 . 1 1 42 42 LEU C C 42 173.872 173.872 176.465 -2.593 25848 6359 1 17 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.251 0.752 25848 6360 1 17 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.830 -1.004 25848 6361 1 17 . 1 1 42 42 LEU H H 42 8.728 8.728 8.227 0.501 25848 6362 1 17 . 1 1 43 43 VAL N N 43 115.632 115.632 115.424 0.208 25848 6363 1 17 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.450 -0.642 25848 6364 1 17 . 1 1 43 43 VAL C C 43 173.751 173.751 175.804 -2.053 25848 6365 1 17 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.492 -0.234 25848 6366 1 17 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.266 -1.409 25848 6367 1 17 . 1 1 43 43 VAL H H 43 7.192 7.192 8.091 -0.899 25848 6368 1 17 . 1 1 44 44 LYS N N 44 117.023 117.023 116.628 0.395 25848 6369 1 17 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.118 -0.888 25848 6370 1 17 . 1 1 44 44 LYS C C 44 176.385 176.385 175.296 1.089 25848 6371 1 17 . 1 1 44 44 LYS CA C 44 58.773 58.773 57.931 0.842 25848 6372 1 17 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.823 0.208 25848 6373 1 17 . 1 1 44 44 LYS H H 44 7.531 7.531 8.626 -1.095 25848 6374 1 17 . 1 1 45 45 TRP N N 45 117.377 117.377 118.428 -1.051 25848 6375 1 17 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.813 -0.366 25848 6376 1 17 . 1 1 45 45 TRP C C 45 175.675 175.675 175.398 0.277 25848 6377 1 17 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.404 1.617 25848 6378 1 17 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.318 -2.323 25848 6379 1 17 . 1 1 45 45 TRP H H 45 9.364 9.364 7.567 1.797 25848 6380 1 17 . 1 1 46 46 LYS N N 46 119.913 119.913 119.405 0.508 25848 6381 1 17 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.801 -0.411 25848 6382 1 17 . 1 1 46 46 LYS C C 46 176.776 176.776 175.814 0.962 25848 6383 1 17 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.660 0.501 25848 6384 1 17 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.466 -1.800 25848 6385 1 17 . 1 1 46 46 LYS H H 46 7.985 7.985 7.395 0.590 25848 6386 1 17 . 1 1 47 47 GLN N N 47 121.031 121.031 120.101 0.930 25848 6387 1 17 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.365 0.514 25848 6388 1 17 . 1 1 47 47 GLN C C 47 177.118 177.118 176.781 0.337 25848 6389 1 17 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.968 -0.413 25848 6390 1 17 . 1 1 47 47 GLN H H 47 8.623 8.623 8.747 -0.124 25848 6391 1 17 . 1 1 48 48 CYS N N 48 115.456 115.456 120.247 -4.791 25848 6392 1 17 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.702 0.054 25848 6393 1 17 . 1 1 48 48 CYS C C 48 173.978 173.978 175.352 -1.374 25848 6394 1 17 . 1 1 48 48 CYS CB C 48 43.989 43.989 28.965 15.024 25848 6395 1 17 . 1 1 48 48 CYS H H 48 8.365 8.365 8.342 0.023 25848 6396 1 17 . 1 1 49 49 ASP N N 49 123.208 123.208 123.366 -0.158 25848 6397 1 17 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.379 0.069 25848 6398 1 17 . 1 1 49 49 ASP C C 49 177.773 177.773 177.610 0.163 25848 6399 1 17 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.272 0.716 25848 6400 1 17 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.523 0.557 25848 6401 1 17 . 1 1 49 49 ASP H H 49 7.839 7.839 7.698 0.141 25848 6402 1 17 . 1 1 50 50 GLY N N 50 115.583 115.583 116.359 -0.776 25848 6403 1 17 . 1 1 50 50 GLY C C 50 173.522 173.522 175.216 -1.694 25848 6404 1 17 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.560 0.724 25848 6405 1 17 . 1 1 50 50 GLY H H 50 9.371 9.371 8.942 0.429 25848 6406 1 17 . 1 1 51 51 ARG N N 51 122.794 122.794 122.270 0.524 25848 6407 1 17 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.641 0.017 25848 6408 1 17 . 1 1 51 51 ARG C C 51 176.977 176.977 176.901 0.076 25848 6409 1 17 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.537 0.215 25848 6410 1 17 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.577 1.506 25848 6411 1 17 . 1 1 51 51 ARG H H 51 8.199 8.199 8.051 0.148 25848 6412 1 17 . 1 1 52 52 GLU N N 52 117.957 117.957 118.039 -0.082 25848 6413 1 17 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.115 -0.041 25848 6414 1 17 . 1 1 52 52 GLU C C 52 178.254 178.254 176.383 1.871 25848 6415 1 17 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.556 2.674 25848 6416 1 17 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.005 -0.197 25848 6417 1 17 . 1 1 52 52 GLU H H 52 8.992 8.992 8.629 0.363 25848 6418 1 17 . 1 1 53 53 ARG N N 53 116.423 116.423 116.978 -0.555 25848 6419 1 17 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.545 0.019 25848 6420 1 17 . 1 1 53 53 ARG C C 53 177.327 177.327 175.318 2.009 25848 6421 1 17 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.925 -0.445 25848 6422 1 17 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.206 -0.941 25848 6423 1 17 . 1 1 53 53 ARG H H 53 8.513 8.513 7.913 0.600 25848 6424 1 17 . 1 1 54 54 ASP N N 54 118.043 118.043 120.132 -2.089 25848 6425 1 17 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.806 0.009 25848 6426 1 17 . 1 1 54 54 ASP C C 54 176.941 176.941 175.281 1.660 25848 6427 1 17 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.762 -3.015 25848 6428 1 17 . 1 1 54 54 ASP H H 54 7.933 7.933 8.027 -0.094 25848 6429 1 17 . 1 1 55 55 CYS N N 55 118.999 118.999 118.463 0.536 25848 6430 1 17 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.176 0.801 25848 6431 1 17 . 1 1 55 55 CYS C C 55 175.757 175.757 175.374 0.383 25848 6432 1 17 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.958 -4.969 25848 6433 1 17 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.258 11.176 25848 6434 1 17 . 1 1 55 55 CYS H H 55 8.222 8.222 7.599 0.623 25848 6435 1 17 . 1 1 56 56 CYS N N 56 121.139 121.139 120.097 1.042 25848 6436 1 17 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.317 0.017 25848 6437 1 17 . 1 1 56 56 CYS C C 56 171.957 171.957 175.577 -3.620 25848 6438 1 17 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.849 -5.358 25848 6439 1 17 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.321 12.692 25848 6440 1 17 . 1 1 56 56 CYS H H 56 8.999 8.999 8.104 0.895 25848 6441 1 17 . 1 1 57 57 ALA N N 57 120.553 120.553 124.541 -3.988 25848 6442 1 17 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.136 -0.063 25848 6443 1 17 . 1 1 57 57 ALA C C 57 178.248 178.248 178.329 -0.081 25848 6444 1 17 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.281 0.483 25848 6445 1 17 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.477 -0.080 25848 6446 1 17 . 1 1 57 57 ALA H H 57 8.084 8.084 8.537 -0.453 25848 6447 1 17 . 1 1 58 58 GLY N N 58 110.247 110.247 111.537 -1.290 25848 6448 1 17 . 1 1 58 58 GLY C C 58 173.204 173.204 174.053 -0.849 25848 6449 1 17 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.788 -0.030 25848 6450 1 17 . 1 1 58 58 GLY H H 58 8.713 8.713 8.580 0.133 25848 6451 1 17 . 1 1 59 59 LEU N N 59 120.155 120.155 121.479 -1.324 25848 6452 1 17 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.597 0.369 25848 6453 1 17 . 1 1 59 59 LEU C C 59 175.349 175.349 176.106 -0.757 25848 6454 1 17 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.697 -2.252 25848 6455 1 17 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.435 1.049 25848 6456 1 17 . 1 1 59 59 LEU H H 59 7.901 7.901 7.384 0.517 25848 6457 1 17 . 1 1 60 60 GLU N N 60 117.726 117.726 114.970 2.756 25848 6458 1 17 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.507 0.172 25848 6459 1 17 . 1 1 60 60 GLU C C 60 174.016 174.016 174.565 -0.549 25848 6460 1 17 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.126 0.469 25848 6461 1 17 . 1 1 60 60 GLU H H 60 9.145 9.145 8.149 0.996 25848 6462 1 17 . 1 1 61 61 CYS N N 61 122.299 122.299 121.742 0.557 25848 6463 1 17 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.540 0.306 25848 6464 1 17 . 1 1 61 61 CYS C C 61 173.374 173.374 174.776 -1.402 25848 6465 1 17 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.567 13.907 25848 6466 1 17 . 1 1 61 61 CYS H H 61 9.064 9.064 8.887 0.177 25848 6467 1 17 . 1 1 62 62 TRP N N 62 135.668 135.668 130.602 5.066 25848 6468 1 17 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.672 0.226 25848 6469 1 17 . 1 1 62 62 TRP C C 62 174.430 174.430 174.684 -0.254 25848 6470 1 17 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.236 1.230 25848 6471 1 17 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.765 0.220 25848 6472 1 17 . 1 1 62 62 TRP H H 62 9.434 9.434 8.696 0.738 25848 6473 1 17 . 1 1 63 63 LYS N N 63 128.624 128.624 128.961 -0.337 25848 6474 1 17 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.677 -0.330 25848 6475 1 17 . 1 1 63 63 LYS C C 63 175.409 175.409 175.647 -0.238 25848 6476 1 17 . 1 1 63 63 LYS CA C 63 55.621 55.621 54.797 0.824 25848 6477 1 17 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.550 -0.032 25848 6478 1 17 . 1 1 63 63 LYS H H 63 8.392 8.392 8.628 -0.236 25848 6479 1 17 . 1 1 64 64 ARG N N 64 125.507 125.507 124.952 0.555 25848 6480 1 17 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.311 -0.376 25848 6481 1 17 . 1 1 64 64 ARG C C 64 175.704 175.704 174.539 1.165 25848 6482 1 17 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.303 0.551 25848 6483 1 17 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.401 0.095 25848 6484 1 17 . 1 1 64 64 ARG H H 64 7.877 7.877 8.027 -0.150 25848 6485 1 17 . 1 1 65 65 SER N N 65 115.709 115.709 117.994 -2.285 25848 6486 1 17 . 1 1 65 65 SER HA H 65 4.306 4.306 4.835 -0.529 25848 6487 1 17 . 1 1 65 65 SER C C 65 175.289 175.289 175.217 0.072 25848 6488 1 17 . 1 1 65 65 SER CA C 65 58.778 58.778 57.411 1.367 25848 6489 1 17 . 1 1 65 65 SER CB C 65 63.667 63.667 65.266 -1.599 25848 6490 1 17 . 1 1 65 65 SER H H 65 8.198 8.198 8.259 -0.061 25848 6491 1 17 . 1 1 66 66 GLY N N 66 110.671 110.671 112.948 -2.277 25848 6492 1 17 . 1 1 66 66 GLY C C 66 174.634 174.634 174.888 -0.254 25848 6493 1 17 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.063 1.017 25848 6494 1 17 . 1 1 66 66 GLY H H 66 8.675 8.675 8.698 -0.023 25848 6495 1 17 . 1 1 67 67 ASN N N 67 118.608 118.608 118.505 0.103 25848 6496 1 17 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.842 -0.180 25848 6497 1 17 . 1 1 67 67 ASN C C 67 175.108 175.108 175.676 -0.568 25848 6498 1 17 . 1 1 67 67 ASN CA C 67 52.755 52.755 54.716 -1.961 25848 6499 1 17 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.836 -1.336 25848 6500 1 17 . 1 1 67 67 ASN H H 67 8.374 8.374 8.692 -0.318 25848 6501 1 17 . 1 1 68 68 LYS N N 68 119.218 119.218 118.162 1.056 25848 6502 1 17 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.405 -0.075 25848 6503 1 17 . 1 1 68 68 LYS C C 68 176.405 176.405 175.233 1.172 25848 6504 1 17 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.530 0.877 25848 6505 1 17 . 1 1 68 68 LYS CB C 68 33.907 33.907 33.194 0.713 25848 6506 1 17 . 1 1 68 68 LYS H H 68 7.816 7.816 7.643 0.173 25848 6507 1 17 . 1 1 69 69 SER N N 69 115.165 115.165 115.044 0.121 25848 6508 1 17 . 1 1 69 69 SER HA H 69 4.615 4.615 4.410 0.205 25848 6509 1 17 . 1 1 69 69 SER C C 69 174.381 174.381 174.514 -0.133 25848 6510 1 17 . 1 1 69 69 SER CA C 69 57.773 57.773 58.699 -0.926 25848 6511 1 17 . 1 1 69 69 SER CB C 69 64.533 64.533 63.465 1.068 25848 6512 1 17 . 1 1 69 69 SER H H 69 8.176 8.176 8.345 -0.169 25848 6513 1 17 . 1 1 70 70 SER N N 70 121.583 121.583 116.379 5.204 25848 6514 1 17 . 1 1 70 70 SER HA H 70 5.011 5.011 4.385 0.626 25848 6515 1 17 . 1 1 70 70 SER C C 70 175.256 175.256 173.938 1.318 25848 6516 1 17 . 1 1 70 70 SER CA C 70 58.455 58.455 59.192 -0.737 25848 6517 1 17 . 1 1 70 70 SER CB C 70 63.987 63.987 63.373 0.613 25848 6518 1 17 . 1 1 70 70 SER H H 70 9.539 9.539 8.199 1.340 25848 6519 1 17 . 1 1 71 71 VAL N N 71 115.977 115.977 119.911 -3.934 25848 6520 1 17 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.918 0.420 25848 6521 1 17 . 1 1 71 71 VAL C C 71 176.220 176.220 174.596 1.624 25848 6522 1 17 . 1 1 71 71 VAL CA C 71 58.655 58.655 59.511 -0.856 25848 6523 1 17 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.925 2.497 25848 6524 1 17 . 1 1 71 71 VAL H H 71 8.502 8.502 7.866 0.636 25848 6525 1 17 . 1 1 72 72 CYS N N 72 120.794 120.794 119.248 1.546 25848 6526 1 17 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.507 -0.482 25848 6527 1 17 . 1 1 72 72 CYS C C 72 174.142 174.142 174.675 -0.533 25848 6528 1 17 . 1 1 72 72 CYS CA C 72 54.465 54.465 58.031 -3.566 25848 6529 1 17 . 1 1 72 72 CYS CB C 72 38.458 38.458 28.552 9.905 25848 6530 1 17 . 1 1 72 72 CYS H H 72 8.557 8.557 8.113 0.444 25848 6531 1 17 . 1 1 73 73 ALA N N 73 130.318 130.318 125.563 4.755 25848 6532 1 17 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.670 -0.210 25848 6533 1 17 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.563 0.034 25848 6534 1 17 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.577 0.957 25848 6535 1 17 . 1 1 73 73 ALA H H 73 9.629 9.629 8.529 1.100 25848 6536 1 17 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.489 0.011 25848 6537 1 17 . 1 1 74 74 PRO C C 74 176.504 176.504 176.546 -0.042 25848 6538 1 17 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.993 1.226 25848 6539 1 17 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.248 -0.346 25848 6540 1 17 . 1 1 75 75 ILE N N 75 122.019 122.019 113.867 8.152 25848 6541 1 17 . 1 1 75 75 ILE HA H 75 3.944 3.944 3.920 0.024 25848 6542 1 17 . 1 1 75 75 ILE C C 75 175.793 175.793 176.479 -0.686 25848 6543 1 17 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.483 0.863 25848 6544 1 17 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.634 1.335 25848 6545 1 17 . 1 1 75 75 ILE H H 75 7.769 7.769 7.854 -0.085 25848 6546 1 18 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.800 -0.089 25848 6547 1 18 . 1 1 2 2 ASN C C 2 174.785 174.785 175.209 -0.424 25848 6548 1 18 . 1 1 2 2 ASN CB C 2 38.820 38.820 38.873 -0.053 25848 6549 1 18 . 1 1 3 3 GLU N N 3 121.744 121.744 123.876 -2.132 25848 6550 1 18 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.387 -0.039 25848 6551 1 18 . 1 1 3 3 GLU C C 3 176.060 176.060 176.019 0.041 25848 6552 1 18 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.013 0.254 25848 6553 1 18 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.552 -0.365 25848 6554 1 18 . 1 1 3 3 GLU H H 3 8.470 8.470 8.660 -0.190 25848 6555 1 18 . 1 1 4 4 CYS N N 4 119.765 119.765 116.626 3.139 25848 6556 1 18 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.755 0.042 25848 6557 1 18 . 1 1 4 4 CYS C C 4 173.263 173.263 175.450 -2.187 25848 6558 1 18 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.488 12.813 25848 6559 1 18 . 1 1 4 4 CYS H H 4 8.317 8.317 8.341 -0.024 25848 6560 1 18 . 1 1 5 5 ILE N N 5 122.940 122.940 123.450 -0.510 25848 6561 1 18 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.039 -0.151 25848 6562 1 18 . 1 1 5 5 ILE C C 5 173.890 173.890 175.893 -2.003 25848 6563 1 18 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.948 0.568 25848 6564 1 18 . 1 1 5 5 ILE CB C 5 39.280 39.280 37.955 1.325 25848 6565 1 18 . 1 1 5 5 ILE H H 5 8.912 8.912 8.079 0.833 25848 6566 1 18 . 1 1 6 6 ARG N N 6 125.981 125.981 127.363 -1.382 25848 6567 1 18 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.100 -0.238 25848 6568 1 18 . 1 1 6 6 ARG C C 6 174.259 174.259 176.152 -1.893 25848 6569 1 18 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.575 -0.556 25848 6570 1 18 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.632 1.145 25848 6571 1 18 . 1 1 6 6 ARG H H 6 7.528 7.528 8.325 -0.797 25848 6572 1 18 . 1 1 7 7 LYS N N 7 116.267 116.267 121.124 -4.857 25848 6573 1 18 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.948 -0.662 25848 6574 1 18 . 1 1 7 7 LYS C C 7 175.417 175.417 176.750 -1.333 25848 6575 1 18 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.258 1.065 25848 6576 1 18 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.895 -0.224 25848 6577 1 18 . 1 1 7 7 LYS H H 7 7.558 7.558 8.352 -0.794 25848 6578 1 18 . 1 1 8 8 TRP N N 8 115.300 115.300 121.379 -6.079 25848 6579 1 18 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.323 -0.063 25848 6580 1 18 . 1 1 8 8 TRP C C 8 175.069 175.069 175.767 -0.698 25848 6581 1 18 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.204 -0.196 25848 6582 1 18 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.813 0.874 25848 6583 1 18 . 1 1 8 8 TRP H H 8 9.357 9.357 8.134 1.223 25848 6584 1 18 . 1 1 9 9 LEU N N 9 120.240 120.240 118.623 1.617 25848 6585 1 18 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.631 0.066 25848 6586 1 18 . 1 1 9 9 LEU C C 9 176.636 176.636 176.391 0.245 25848 6587 1 18 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.319 -2.071 25848 6588 1 18 . 1 1 9 9 LEU H H 9 7.701 7.701 7.953 -0.252 25848 6589 1 18 . 1 1 10 10 SER N N 10 110.077 110.077 110.385 -0.308 25848 6590 1 18 . 1 1 10 10 SER HA H 10 4.704 4.704 4.722 -0.018 25848 6591 1 18 . 1 1 10 10 SER CB C 10 64.064 64.064 64.545 -0.481 25848 6592 1 18 . 1 1 10 10 SER H H 10 8.148 8.148 8.052 0.096 25848 6593 1 18 . 1 1 11 11 CYS N N 11 121.141 121.141 123.952 -2.811 25848 6594 1 18 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.720 0.150 25848 6595 1 18 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.535 16.497 25848 6596 1 18 . 1 1 11 11 CYS H H 11 8.580 8.580 8.894 -0.314 25848 6597 1 18 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.770 -0.205 25848 6598 1 18 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.223 -0.026 25848 6599 1 18 . 1 1 12 12 VAL H H 12 7.776 7.776 8.110 -0.334 25848 6600 1 18 . 1 1 15 15 LYS N N 15 117.195 117.195 123.781 -6.586 25848 6601 1 18 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.124 0.235 25848 6602 1 18 . 1 1 15 15 LYS C C 15 177.505 177.505 178.794 -1.289 25848 6603 1 18 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.877 0.565 25848 6604 1 18 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.626 -0.055 25848 6605 1 18 . 1 1 15 15 LYS H H 15 7.936 7.936 8.688 -0.752 25848 6606 1 18 . 1 1 16 16 ASN N N 16 115.005 115.005 118.428 -3.423 25848 6607 1 18 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.515 0.560 25848 6608 1 18 . 1 1 16 16 ASN C C 16 176.707 176.707 175.357 1.350 25848 6609 1 18 . 1 1 16 16 ASN CA C 16 53.010 53.010 55.172 -2.162 25848 6610 1 18 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.559 0.610 25848 6611 1 18 . 1 1 16 16 ASN H H 16 8.644 8.644 8.214 0.430 25848 6612 1 18 . 1 1 17 17 ASP N N 17 118.040 118.040 118.769 -0.729 25848 6613 1 18 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.792 0.071 25848 6614 1 18 . 1 1 17 17 ASP C C 17 176.756 176.756 176.243 0.513 25848 6615 1 18 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.059 0.951 25848 6616 1 18 . 1 1 17 17 ASP H H 17 7.592 7.592 8.087 -0.495 25848 6617 1 18 . 1 1 18 18 CYS N N 18 119.499 119.499 117.357 2.142 25848 6618 1 18 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.330 0.570 25848 6619 1 18 . 1 1 18 18 CYS C C 18 176.186 176.186 174.671 1.515 25848 6620 1 18 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.599 11.288 25848 6621 1 18 . 1 1 18 18 CYS H H 18 8.729 8.729 7.646 1.083 25848 6622 1 18 . 1 1 19 19 CYS N N 19 120.655 120.655 112.617 8.038 25848 6623 1 18 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.368 0.047 25848 6624 1 18 . 1 1 19 19 CYS C C 19 171.719 171.719 172.751 -1.032 25848 6625 1 18 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.130 -3.561 25848 6626 1 18 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.624 11.293 25848 6627 1 18 . 1 1 19 19 CYS H H 19 9.086 9.086 8.146 0.940 25848 6628 1 18 . 1 1 20 20 GLU N N 20 118.445 118.445 122.956 -4.511 25848 6629 1 18 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.312 -0.381 25848 6630 1 18 . 1 1 20 20 GLU C C 20 176.509 176.509 176.735 -0.226 25848 6631 1 18 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.964 0.856 25848 6632 1 18 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.827 0.076 25848 6633 1 18 . 1 1 20 20 GLU H H 20 8.155 8.155 8.866 -0.711 25848 6634 1 18 . 1 1 21 21 GLY N N 21 113.662 113.662 113.405 0.257 25848 6635 1 18 . 1 1 21 21 GLY C C 21 172.614 172.614 172.806 -0.192 25848 6636 1 18 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.320 -0.789 25848 6637 1 18 . 1 1 21 21 GLY H H 21 8.719 8.719 8.540 0.179 25848 6638 1 18 . 1 1 22 22 LEU N N 22 120.372 120.372 118.389 1.983 25848 6639 1 18 . 1 1 22 22 LEU HA H 22 5.081 5.081 4.975 0.106 25848 6640 1 18 . 1 1 22 22 LEU C C 22 174.927 174.927 175.603 -0.676 25848 6641 1 18 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.137 -0.687 25848 6642 1 18 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.570 -1.059 25848 6643 1 18 . 1 1 22 22 LEU H H 22 7.641 7.641 7.117 0.524 25848 6644 1 18 . 1 1 23 23 GLU N N 23 117.193 117.193 119.801 -2.608 25848 6645 1 18 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.680 0.028 25848 6646 1 18 . 1 1 23 23 GLU C C 23 173.821 173.821 174.770 -0.949 25848 6647 1 18 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.529 -1.197 25848 6648 1 18 . 1 1 23 23 GLU CB C 23 32.486 32.486 34.531 -2.045 25848 6649 1 18 . 1 1 23 23 GLU H H 23 9.299 9.299 8.793 0.506 25848 6650 1 18 . 1 1 24 24 CYS N N 24 123.260 123.260 121.325 1.935 25848 6651 1 18 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.593 0.208 25848 6652 1 18 . 1 1 24 24 CYS CB C 24 40.295 40.295 25.816 14.479 25848 6653 1 18 . 1 1 24 24 CYS H H 24 8.953 8.953 8.494 0.459 25848 6654 1 18 . 1 1 25 25 TYR N N 25 134.523 134.523 130.046 4.477 25848 6655 1 18 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.699 0.114 25848 6656 1 18 . 1 1 25 25 TYR C C 25 173.768 173.768 174.471 -0.703 25848 6657 1 18 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.736 1.610 25848 6658 1 18 . 1 1 25 25 TYR H H 25 9.338 9.338 8.179 1.159 25848 6659 1 18 . 1 1 26 26 LYS N N 26 127.496 127.496 120.960 6.536 25848 6660 1 18 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.700 -0.604 25848 6661 1 18 . 1 1 26 26 LYS C C 26 174.360 174.360 175.282 -0.922 25848 6662 1 18 . 1 1 26 26 LYS CA C 26 55.938 55.938 54.727 1.211 25848 6663 1 18 . 1 1 26 26 LYS CB C 26 32.667 32.667 35.059 -2.392 25848 6664 1 18 . 1 1 26 26 LYS H H 26 8.176 8.176 7.536 0.640 25848 6665 1 18 . 1 1 27 27 ARG N N 27 125.899 125.899 122.651 3.248 25848 6666 1 18 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.656 -0.431 25848 6667 1 18 . 1 1 27 27 ARG C C 27 174.385 174.385 176.596 -2.211 25848 6668 1 18 . 1 1 27 27 ARG CA C 27 55.989 55.989 54.714 1.275 25848 6669 1 18 . 1 1 27 27 ARG CB C 27 32.009 32.009 31.189 0.820 25848 6670 1 18 . 1 1 27 27 ARG H H 27 7.493 7.493 8.344 -0.851 25848 6671 1 18 . 1 1 28 28 ARG N N 28 121.214 121.214 120.472 0.742 25848 6672 1 18 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.363 -0.451 25848 6673 1 18 . 1 1 28 28 ARG C C 28 176.613 176.613 177.438 -0.825 25848 6674 1 18 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.831 -0.217 25848 6675 1 18 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.338 -0.663 25848 6676 1 18 . 1 1 28 28 ARG H H 28 8.519 8.519 8.680 -0.161 25848 6677 1 18 . 1 1 29 29 HIS N N 29 116.413 116.413 116.054 0.359 25848 6678 1 18 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.806 -0.326 25848 6679 1 18 . 1 1 29 29 HIS C C 29 174.166 174.166 175.171 -1.005 25848 6680 1 18 . 1 1 29 29 HIS CA C 29 56.020 56.020 55.733 0.287 25848 6681 1 18 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.733 -2.599 25848 6682 1 18 . 1 1 29 29 HIS H H 29 8.771 8.771 8.049 0.722 25848 6683 1 18 . 1 1 30 30 SER N N 30 113.403 113.403 117.119 -3.716 25848 6684 1 18 . 1 1 30 30 SER HA H 30 4.469 4.469 4.524 -0.055 25848 6685 1 18 . 1 1 30 30 SER C C 30 173.332 173.332 174.246 -0.914 25848 6686 1 18 . 1 1 30 30 SER CA C 30 57.257 57.257 58.287 -1.030 25848 6687 1 18 . 1 1 30 30 SER CB C 30 63.559 63.559 63.890 -0.331 25848 6688 1 18 . 1 1 30 30 SER H H 30 7.826 7.826 8.025 -0.199 25848 6689 1 18 . 1 1 31 31 PHE N N 31 118.662 118.662 121.907 -3.245 25848 6690 1 18 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.452 0.341 25848 6691 1 18 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.273 1.038 25848 6692 1 18 . 1 1 31 31 PHE H H 31 7.801 7.801 8.633 -0.832 25848 6693 1 18 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.319 0.291 25848 6694 1 18 . 1 1 32 32 GLU CB C 32 30.289 30.289 30.580 -0.291 25848 6695 1 18 . 1 1 33 33 VAL N N 33 121.027 121.027 116.664 4.363 25848 6696 1 18 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.512 0.589 25848 6697 1 18 . 1 1 33 33 VAL C C 33 175.754 175.754 175.352 0.402 25848 6698 1 18 . 1 1 33 33 VAL CA C 33 58.545 58.545 60.092 -1.547 25848 6699 1 18 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.332 2.132 25848 6700 1 18 . 1 1 33 33 VAL H H 33 8.581 8.581 7.963 0.618 25848 6701 1 18 . 1 1 34 34 CYS N N 34 119.365 119.365 119.156 0.209 25848 6702 1 18 . 1 1 34 34 CYS HA H 34 5.064 5.064 5.045 0.019 25848 6703 1 18 . 1 1 34 34 CYS C C 34 174.853 174.853 175.257 -0.404 25848 6704 1 18 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.634 -4.939 25848 6705 1 18 . 1 1 34 34 CYS CB C 34 39.974 39.974 26.124 13.850 25848 6706 1 18 . 1 1 34 34 CYS H H 34 7.968 7.968 8.593 -0.625 25848 6707 1 18 . 1 1 35 35 VAL N N 35 122.141 122.141 115.189 6.952 25848 6708 1 18 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.113 0.355 25848 6709 1 18 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.950 0.080 25848 6710 1 18 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.642 -0.427 25848 6711 1 18 . 1 1 35 35 VAL H H 35 9.611 9.611 8.728 0.883 25848 6712 1 18 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.592 -0.194 25848 6713 1 18 . 1 1 36 36 PRO C C 36 176.509 176.509 176.796 -0.287 25848 6714 1 18 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.128 1.192 25848 6715 1 18 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.585 0.526 25848 6716 1 18 . 1 1 37 37 ILE N N 37 125.294 125.294 126.967 -1.673 25848 6717 1 18 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.279 -0.148 25848 6718 1 18 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.678 0.112 25848 6719 1 18 . 1 1 37 37 ILE CB C 37 39.566 39.566 38.030 1.536 25848 6720 1 18 . 1 1 37 37 ILE H H 37 7.927 7.927 7.822 0.105 25848 6721 1 18 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.513 -0.176 25848 6722 1 18 . 1 1 38 38 PRO C C 38 177.800 177.800 177.476 0.324 25848 6723 1 18 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.607 0.487 25848 6724 1 18 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.750 -0.019 25848 6725 1 18 . 1 1 39 39 GLY N N 39 112.745 112.745 113.004 -0.259 25848 6726 1 18 . 1 1 39 39 GLY C C 39 174.463 174.463 174.751 -0.288 25848 6727 1 18 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.063 0.400 25848 6728 1 18 . 1 1 39 39 GLY H H 39 8.843 8.843 8.511 0.332 25848 6729 1 18 . 1 1 40 40 PHE N N 40 120.803 120.803 120.770 0.033 25848 6730 1 18 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.385 -0.064 25848 6731 1 18 . 1 1 40 40 PHE C C 40 174.706 174.706 174.989 -0.283 25848 6732 1 18 . 1 1 40 40 PHE CA C 40 59.668 59.668 58.787 0.881 25848 6733 1 18 . 1 1 40 40 PHE CB C 40 39.815 39.815 39.881 -0.066 25848 6734 1 18 . 1 1 40 40 PHE H H 40 7.762 7.762 7.650 0.112 25848 6735 1 18 . 1 1 41 41 CYS N N 41 120.807 120.807 122.853 -2.046 25848 6736 1 18 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.632 -0.058 25848 6737 1 18 . 1 1 41 41 CYS C C 41 171.732 171.732 171.979 -0.247 25848 6738 1 18 . 1 1 41 41 CYS CA C 41 53.666 53.666 56.501 -2.835 25848 6739 1 18 . 1 1 41 41 CYS CB C 41 44.109 44.109 29.936 14.173 25848 6740 1 18 . 1 1 41 41 CYS H H 41 7.040 7.040 7.610 -0.570 25848 6741 1 18 . 1 1 42 42 LEU N N 42 119.987 119.987 119.365 0.622 25848 6742 1 18 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.837 -0.565 25848 6743 1 18 . 1 1 42 42 LEU C C 42 173.872 173.872 176.474 -2.602 25848 6744 1 18 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.305 0.698 25848 6745 1 18 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.830 -1.004 25848 6746 1 18 . 1 1 42 42 LEU H H 42 8.728 8.728 8.217 0.511 25848 6747 1 18 . 1 1 43 43 VAL N N 43 115.632 115.632 115.505 0.127 25848 6748 1 18 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.421 -0.613 25848 6749 1 18 . 1 1 43 43 VAL C C 43 173.751 173.751 175.853 -2.102 25848 6750 1 18 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.468 -0.210 25848 6751 1 18 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.074 -1.217 25848 6752 1 18 . 1 1 43 43 VAL H H 43 7.192 7.192 8.084 -0.892 25848 6753 1 18 . 1 1 44 44 LYS N N 44 117.023 117.023 117.183 -0.160 25848 6754 1 18 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.156 -0.926 25848 6755 1 18 . 1 1 44 44 LYS C C 44 176.385 176.385 175.381 1.004 25848 6756 1 18 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.112 0.661 25848 6757 1 18 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.640 0.391 25848 6758 1 18 . 1 1 44 44 LYS H H 44 7.531 7.531 8.590 -1.059 25848 6759 1 18 . 1 1 45 45 TRP N N 45 117.377 117.377 118.357 -0.980 25848 6760 1 18 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.799 -0.352 25848 6761 1 18 . 1 1 45 45 TRP C C 45 175.675 175.675 175.026 0.649 25848 6762 1 18 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.128 1.893 25848 6763 1 18 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.700 -2.705 25848 6764 1 18 . 1 1 45 45 TRP H H 45 9.364 9.364 7.626 1.738 25848 6765 1 18 . 1 1 46 46 LYS N N 46 119.913 119.913 119.963 -0.050 25848 6766 1 18 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.757 -0.367 25848 6767 1 18 . 1 1 46 46 LYS C C 46 176.776 176.776 175.913 0.863 25848 6768 1 18 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.738 0.423 25848 6769 1 18 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.117 -1.451 25848 6770 1 18 . 1 1 46 46 LYS H H 46 7.985 7.985 7.453 0.532 25848 6771 1 18 . 1 1 47 47 GLN N N 47 121.031 121.031 120.304 0.727 25848 6772 1 18 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.354 0.525 25848 6773 1 18 . 1 1 47 47 GLN C C 47 177.118 177.118 176.794 0.324 25848 6774 1 18 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.947 -0.392 25848 6775 1 18 . 1 1 47 47 GLN H H 47 8.623 8.623 8.751 -0.128 25848 6776 1 18 . 1 1 48 48 CYS N N 48 115.456 115.456 120.765 -5.309 25848 6777 1 18 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.657 0.099 25848 6778 1 18 . 1 1 48 48 CYS C C 48 173.978 173.978 175.568 -1.590 25848 6779 1 18 . 1 1 48 48 CYS CB C 48 43.989 43.989 28.828 15.161 25848 6780 1 18 . 1 1 48 48 CYS H H 48 8.365 8.365 8.510 -0.145 25848 6781 1 18 . 1 1 49 49 ASP N N 49 123.208 123.208 123.853 -0.645 25848 6782 1 18 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.420 0.028 25848 6783 1 18 . 1 1 49 49 ASP C C 49 177.773 177.773 177.038 0.735 25848 6784 1 18 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.024 0.964 25848 6785 1 18 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.900 0.180 25848 6786 1 18 . 1 1 49 49 ASP H H 49 7.839 7.839 7.648 0.191 25848 6787 1 18 . 1 1 50 50 GLY N N 50 115.583 115.583 115.277 0.306 25848 6788 1 18 . 1 1 50 50 GLY C C 50 173.522 173.522 175.067 -1.545 25848 6789 1 18 . 1 1 50 50 GLY CA C 50 46.284 46.284 46.036 0.248 25848 6790 1 18 . 1 1 50 50 GLY H H 50 9.371 9.371 9.070 0.301 25848 6791 1 18 . 1 1 51 51 ARG N N 51 122.794 122.794 122.301 0.493 25848 6792 1 18 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.605 0.053 25848 6793 1 18 . 1 1 51 51 ARG C C 51 176.977 176.977 176.853 0.124 25848 6794 1 18 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.764 -0.012 25848 6795 1 18 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.817 1.266 25848 6796 1 18 . 1 1 51 51 ARG H H 51 8.199 8.199 7.978 0.221 25848 6797 1 18 . 1 1 52 52 GLU N N 52 117.957 117.957 118.897 -0.940 25848 6798 1 18 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.099 -0.025 25848 6799 1 18 . 1 1 52 52 GLU C C 52 178.254 178.254 176.490 1.764 25848 6800 1 18 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.598 2.632 25848 6801 1 18 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.265 -0.457 25848 6802 1 18 . 1 1 52 52 GLU H H 52 8.992 8.992 8.694 0.298 25848 6803 1 18 . 1 1 53 53 ARG N N 53 116.423 116.423 116.772 -0.349 25848 6804 1 18 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.565 -0.001 25848 6805 1 18 . 1 1 53 53 ARG C C 53 177.327 177.327 175.266 2.061 25848 6806 1 18 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.958 -0.478 25848 6807 1 18 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.095 -0.830 25848 6808 1 18 . 1 1 53 53 ARG H H 53 8.513 8.513 7.948 0.565 25848 6809 1 18 . 1 1 54 54 ASP N N 54 118.043 118.043 120.283 -2.240 25848 6810 1 18 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.770 0.045 25848 6811 1 18 . 1 1 54 54 ASP C C 54 176.941 176.941 175.425 1.516 25848 6812 1 18 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.112 -2.365 25848 6813 1 18 . 1 1 54 54 ASP H H 54 7.933 7.933 8.005 -0.072 25848 6814 1 18 . 1 1 55 55 CYS N N 55 118.999 118.999 117.694 1.305 25848 6815 1 18 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.198 0.779 25848 6816 1 18 . 1 1 55 55 CYS C C 55 175.757 175.757 175.507 0.250 25848 6817 1 18 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.883 -4.894 25848 6818 1 18 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.246 11.188 25848 6819 1 18 . 1 1 55 55 CYS H H 55 8.222 8.222 7.491 0.731 25848 6820 1 18 . 1 1 56 56 CYS N N 56 121.139 121.139 119.961 1.178 25848 6821 1 18 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.304 0.030 25848 6822 1 18 . 1 1 56 56 CYS C C 56 171.957 171.957 175.577 -3.620 25848 6823 1 18 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.862 -5.371 25848 6824 1 18 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.307 12.706 25848 6825 1 18 . 1 1 56 56 CYS H H 56 8.999 8.999 8.089 0.910 25848 6826 1 18 . 1 1 57 57 ALA N N 57 120.553 120.553 124.574 -4.021 25848 6827 1 18 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.126 -0.053 25848 6828 1 18 . 1 1 57 57 ALA C C 57 178.248 178.248 178.245 0.003 25848 6829 1 18 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.204 0.560 25848 6830 1 18 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.336 0.061 25848 6831 1 18 . 1 1 57 57 ALA H H 57 8.084 8.084 8.549 -0.465 25848 6832 1 18 . 1 1 58 58 GLY N N 58 110.247 110.247 111.671 -1.424 25848 6833 1 18 . 1 1 58 58 GLY C C 58 173.204 173.204 173.874 -0.670 25848 6834 1 18 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.739 0.019 25848 6835 1 18 . 1 1 58 58 GLY H H 58 8.713 8.713 8.579 0.134 25848 6836 1 18 . 1 1 59 59 LEU N N 59 120.155 120.155 121.538 -1.383 25848 6837 1 18 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.558 0.408 25848 6838 1 18 . 1 1 59 59 LEU C C 59 175.349 175.349 176.021 -0.672 25848 6839 1 18 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.716 -2.271 25848 6840 1 18 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.448 1.036 25848 6841 1 18 . 1 1 59 59 LEU H H 59 7.901 7.901 7.354 0.547 25848 6842 1 18 . 1 1 60 60 GLU N N 60 117.726 117.726 114.201 3.525 25848 6843 1 18 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.490 0.189 25848 6844 1 18 . 1 1 60 60 GLU C C 60 174.016 174.016 174.655 -0.639 25848 6845 1 18 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.181 0.414 25848 6846 1 18 . 1 1 60 60 GLU H H 60 9.145 9.145 8.096 1.049 25848 6847 1 18 . 1 1 61 61 CYS N N 61 122.299 122.299 122.627 -0.328 25848 6848 1 18 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.417 0.429 25848 6849 1 18 . 1 1 61 61 CYS C C 61 173.374 173.374 174.856 -1.482 25848 6850 1 18 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.398 14.076 25848 6851 1 18 . 1 1 61 61 CYS H H 61 9.064 9.064 9.012 0.052 25848 6852 1 18 . 1 1 62 62 TRP N N 62 135.668 135.668 130.968 4.700 25848 6853 1 18 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.589 0.309 25848 6854 1 18 . 1 1 62 62 TRP C C 62 174.430 174.430 174.893 -0.463 25848 6855 1 18 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.189 1.277 25848 6856 1 18 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.988 -0.003 25848 6857 1 18 . 1 1 62 62 TRP H H 62 9.434 9.434 8.519 0.915 25848 6858 1 18 . 1 1 63 63 LYS N N 63 128.624 128.624 128.061 0.563 25848 6859 1 18 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.349 -0.002 25848 6860 1 18 . 1 1 63 63 LYS C C 63 175.409 175.409 175.623 -0.214 25848 6861 1 18 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.083 0.538 25848 6862 1 18 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.282 0.236 25848 6863 1 18 . 1 1 63 63 LYS H H 63 8.392 8.392 8.578 -0.186 25848 6864 1 18 . 1 1 64 64 ARG N N 64 125.507 125.507 123.983 1.524 25848 6865 1 18 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.302 -0.367 25848 6866 1 18 . 1 1 64 64 ARG C C 64 175.704 175.704 174.828 0.876 25848 6867 1 18 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.444 0.409 25848 6868 1 18 . 1 1 64 64 ARG CB C 64 32.496 32.496 31.964 0.532 25848 6869 1 18 . 1 1 64 64 ARG H H 64 7.877 7.877 8.046 -0.169 25848 6870 1 18 . 1 1 65 65 SER N N 65 115.709 115.709 118.545 -2.836 25848 6871 1 18 . 1 1 65 65 SER HA H 65 4.306 4.306 4.653 -0.347 25848 6872 1 18 . 1 1 65 65 SER C C 65 175.289 175.289 174.978 0.311 25848 6873 1 18 . 1 1 65 65 SER CA C 65 58.778 58.778 57.788 0.991 25848 6874 1 18 . 1 1 65 65 SER CB C 65 63.667 63.667 64.188 -0.520 25848 6875 1 18 . 1 1 65 65 SER H H 65 8.198 8.198 8.438 -0.240 25848 6876 1 18 . 1 1 66 66 GLY N N 66 110.671 110.671 114.523 -3.852 25848 6877 1 18 . 1 1 66 66 GLY C C 66 174.634 174.634 174.806 -0.172 25848 6878 1 18 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.173 0.907 25848 6879 1 18 . 1 1 66 66 GLY H H 66 8.675 8.675 8.712 -0.037 25848 6880 1 18 . 1 1 67 67 ASN N N 67 118.608 118.608 117.805 0.803 25848 6881 1 18 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.786 -0.124 25848 6882 1 18 . 1 1 67 67 ASN C C 67 175.108 175.108 175.071 0.037 25848 6883 1 18 . 1 1 67 67 ASN CA C 67 52.755 52.755 54.008 -1.253 25848 6884 1 18 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.169 -0.669 25848 6885 1 18 . 1 1 67 67 ASN H H 67 8.374 8.374 8.411 -0.037 25848 6886 1 18 . 1 1 68 68 LYS N N 68 119.218 119.218 118.501 0.717 25848 6887 1 18 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.404 -0.074 25848 6888 1 18 . 1 1 68 68 LYS C C 68 176.405 176.405 175.208 1.197 25848 6889 1 18 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.305 1.102 25848 6890 1 18 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.494 -0.587 25848 6891 1 18 . 1 1 68 68 LYS H H 68 7.816 7.816 7.836 -0.020 25848 6892 1 18 . 1 1 69 69 SER N N 69 115.165 115.165 116.050 -0.885 25848 6893 1 18 . 1 1 69 69 SER HA H 69 4.615 4.615 4.371 0.244 25848 6894 1 18 . 1 1 69 69 SER C C 69 174.381 174.381 174.295 0.086 25848 6895 1 18 . 1 1 69 69 SER CA C 69 57.773 57.773 59.074 -1.300 25848 6896 1 18 . 1 1 69 69 SER CB C 69 64.533 64.533 63.657 0.876 25848 6897 1 18 . 1 1 69 69 SER H H 69 8.176 8.176 8.300 -0.124 25848 6898 1 18 . 1 1 70 70 SER N N 70 121.583 121.583 115.848 5.735 25848 6899 1 18 . 1 1 70 70 SER HA H 70 5.011 5.011 4.412 0.599 25848 6900 1 18 . 1 1 70 70 SER C C 70 175.256 175.256 174.530 0.726 25848 6901 1 18 . 1 1 70 70 SER CA C 70 58.455 58.455 58.452 0.003 25848 6902 1 18 . 1 1 70 70 SER CB C 70 63.987 63.987 63.516 0.471 25848 6903 1 18 . 1 1 70 70 SER H H 70 9.539 9.539 8.322 1.217 25848 6904 1 18 . 1 1 71 71 VAL N N 71 115.977 115.977 118.026 -2.049 25848 6905 1 18 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.954 0.384 25848 6906 1 18 . 1 1 71 71 VAL C C 71 176.220 176.220 174.910 1.310 25848 6907 1 18 . 1 1 71 71 VAL CA C 71 58.655 58.655 58.631 0.024 25848 6908 1 18 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.645 2.777 25848 6909 1 18 . 1 1 71 71 VAL H H 71 8.502 8.502 7.873 0.629 25848 6910 1 18 . 1 1 72 72 CYS N N 72 120.794 120.794 118.406 2.388 25848 6911 1 18 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.589 -0.564 25848 6912 1 18 . 1 1 72 72 CYS C C 72 174.142 174.142 174.532 -0.390 25848 6913 1 18 . 1 1 72 72 CYS CA C 72 54.465 54.465 58.026 -3.561 25848 6914 1 18 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.194 9.264 25848 6915 1 18 . 1 1 72 72 CYS H H 72 8.557 8.557 8.118 0.439 25848 6916 1 18 . 1 1 73 73 ALA N N 73 130.318 130.318 125.672 4.646 25848 6917 1 18 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.760 -0.300 25848 6918 1 18 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.505 0.092 25848 6919 1 18 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.314 1.220 25848 6920 1 18 . 1 1 73 73 ALA H H 73 9.629 9.629 8.791 0.838 25848 6921 1 18 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.473 0.027 25848 6922 1 18 . 1 1 74 74 PRO C C 74 176.504 176.504 176.596 -0.092 25848 6923 1 18 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.951 1.268 25848 6924 1 18 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.299 -0.396 25848 6925 1 18 . 1 1 75 75 ILE N N 75 122.019 122.019 114.784 7.235 25848 6926 1 18 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.292 -0.348 25848 6927 1 18 . 1 1 75 75 ILE C C 75 175.793 175.793 176.326 -0.533 25848 6928 1 18 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.402 0.944 25848 6929 1 18 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.976 0.993 25848 6930 1 18 . 1 1 75 75 ILE H H 75 7.769 7.769 7.997 -0.228 25848 6931 1 19 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.850 -0.139 25848 6932 1 19 . 1 1 2 2 ASN C C 2 174.785 174.785 173.894 0.891 25848 6933 1 19 . 1 1 2 2 ASN CB C 2 38.820 38.820 40.390 -1.570 25848 6934 1 19 . 1 1 3 3 GLU N N 3 121.744 121.744 120.612 1.132 25848 6935 1 19 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.444 -0.096 25848 6936 1 19 . 1 1 3 3 GLU C C 3 176.060 176.060 176.009 0.051 25848 6937 1 19 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.440 -0.173 25848 6938 1 19 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.473 -0.286 25848 6939 1 19 . 1 1 3 3 GLU H H 3 8.470 8.470 8.607 -0.137 25848 6940 1 19 . 1 1 4 4 CYS N N 4 119.765 119.765 117.139 2.626 25848 6941 1 19 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.718 0.079 25848 6942 1 19 . 1 1 4 4 CYS C C 4 173.263 173.263 175.262 -1.999 25848 6943 1 19 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.347 12.954 25848 6944 1 19 . 1 1 4 4 CYS H H 4 8.317 8.317 8.318 -0.001 25848 6945 1 19 . 1 1 5 5 ILE N N 5 122.940 122.940 122.457 0.483 25848 6946 1 19 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.050 -0.162 25848 6947 1 19 . 1 1 5 5 ILE C C 5 173.890 173.890 175.851 -1.961 25848 6948 1 19 . 1 1 5 5 ILE CA C 5 62.516 62.516 62.222 0.294 25848 6949 1 19 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.640 0.640 25848 6950 1 19 . 1 1 5 5 ILE H H 5 8.912 8.912 8.169 0.743 25848 6951 1 19 . 1 1 6 6 ARG N N 6 125.981 125.981 126.469 -0.488 25848 6952 1 19 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.161 -0.299 25848 6953 1 19 . 1 1 6 6 ARG C C 6 174.259 174.259 175.862 -1.603 25848 6954 1 19 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.410 -0.392 25848 6955 1 19 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.828 0.949 25848 6956 1 19 . 1 1 6 6 ARG H H 6 7.528 7.528 8.386 -0.858 25848 6957 1 19 . 1 1 7 7 LYS N N 7 116.267 116.267 119.889 -3.622 25848 6958 1 19 . 1 1 7 7 LYS HA H 7 3.286 3.286 4.051 -0.765 25848 6959 1 19 . 1 1 7 7 LYS C C 7 175.417 175.417 176.450 -1.033 25848 6960 1 19 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.115 1.208 25848 6961 1 19 . 1 1 7 7 LYS CB C 7 32.671 32.671 33.252 -0.581 25848 6962 1 19 . 1 1 7 7 LYS H H 7 7.558 7.558 8.187 -0.629 25848 6963 1 19 . 1 1 8 8 TRP N N 8 115.300 115.300 122.911 -7.611 25848 6964 1 19 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.474 -0.214 25848 6965 1 19 . 1 1 8 8 TRP C C 8 175.069 175.069 175.472 -0.403 25848 6966 1 19 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.133 -0.125 25848 6967 1 19 . 1 1 8 8 TRP CB C 8 27.687 27.687 27.005 0.682 25848 6968 1 19 . 1 1 8 8 TRP H H 8 9.357 9.357 8.335 1.022 25848 6969 1 19 . 1 1 9 9 LEU N N 9 120.240 120.240 119.615 0.625 25848 6970 1 19 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.720 -0.023 25848 6971 1 19 . 1 1 9 9 LEU C C 9 176.636 176.636 176.073 0.563 25848 6972 1 19 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.374 -2.127 25848 6973 1 19 . 1 1 9 9 LEU H H 9 7.701 7.701 7.911 -0.210 25848 6974 1 19 . 1 1 10 10 SER N N 10 110.077 110.077 111.629 -1.552 25848 6975 1 19 . 1 1 10 10 SER HA H 10 4.704 4.704 4.821 -0.117 25848 6976 1 19 . 1 1 10 10 SER CB C 10 64.064 64.064 63.910 0.154 25848 6977 1 19 . 1 1 10 10 SER H H 10 8.148 8.148 8.097 0.051 25848 6978 1 19 . 1 1 11 11 CYS N N 11 121.141 121.141 122.617 -1.476 25848 6979 1 19 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.891 -0.021 25848 6980 1 19 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.868 16.163 25848 6981 1 19 . 1 1 11 11 CYS H H 11 8.580 8.580 8.793 -0.212 25848 6982 1 19 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.781 -0.216 25848 6983 1 19 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.271 -0.074 25848 6984 1 19 . 1 1 12 12 VAL H H 12 7.776 7.776 7.745 0.031 25848 6985 1 19 . 1 1 15 15 LYS N N 15 117.195 117.195 119.820 -2.625 25848 6986 1 19 . 1 1 15 15 LYS HA H 15 4.359 4.359 3.997 0.362 25848 6987 1 19 . 1 1 15 15 LYS C C 15 177.505 177.505 177.548 -0.043 25848 6988 1 19 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.346 1.095 25848 6989 1 19 . 1 1 15 15 LYS CB C 15 32.571 32.571 31.884 0.687 25848 6990 1 19 . 1 1 15 15 LYS H H 15 7.936 7.936 8.604 -0.668 25848 6991 1 19 . 1 1 16 16 ASN N N 16 115.005 115.005 116.798 -1.793 25848 6992 1 19 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.610 0.465 25848 6993 1 19 . 1 1 16 16 ASN C C 16 176.707 176.707 174.634 2.073 25848 6994 1 19 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.331 -1.321 25848 6995 1 19 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.308 0.861 25848 6996 1 19 . 1 1 16 16 ASN H H 16 8.644 8.644 8.270 0.374 25848 6997 1 19 . 1 1 17 17 ASP N N 17 118.040 118.040 118.634 -0.594 25848 6998 1 19 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.954 -0.091 25848 6999 1 19 . 1 1 17 17 ASP C C 17 176.756 176.756 175.775 0.981 25848 7000 1 19 . 1 1 17 17 ASP CB C 17 41.010 41.010 41.311 -0.301 25848 7001 1 19 . 1 1 17 17 ASP H H 17 7.592 7.592 8.039 -0.447 25848 7002 1 19 . 1 1 18 18 CYS N N 18 119.499 119.499 118.468 1.031 25848 7003 1 19 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.165 0.735 25848 7004 1 19 . 1 1 18 18 CYS C C 18 176.186 176.186 174.516 1.670 25848 7005 1 19 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.482 11.405 25848 7006 1 19 . 1 1 18 18 CYS H H 18 8.729 8.729 7.767 0.962 25848 7007 1 19 . 1 1 19 19 CYS N N 19 120.655 120.655 112.703 7.952 25848 7008 1 19 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.371 0.044 25848 7009 1 19 . 1 1 19 19 CYS C C 19 171.719 171.719 172.805 -1.086 25848 7010 1 19 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.182 -3.613 25848 7011 1 19 . 1 1 19 19 CYS CB C 19 40.917 40.917 30.069 10.848 25848 7012 1 19 . 1 1 19 19 CYS H H 19 9.086 9.086 8.074 1.012 25848 7013 1 19 . 1 1 20 20 GLU N N 20 118.445 118.445 123.298 -4.853 25848 7014 1 19 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.279 -0.348 25848 7015 1 19 . 1 1 20 20 GLU C C 20 176.509 176.509 176.861 -0.352 25848 7016 1 19 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.610 1.210 25848 7017 1 19 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.564 0.339 25848 7018 1 19 . 1 1 20 20 GLU H H 20 8.155 8.155 8.851 -0.696 25848 7019 1 19 . 1 1 21 21 GLY N N 21 113.662 113.662 113.554 0.108 25848 7020 1 19 . 1 1 21 21 GLY C C 21 172.614 172.614 173.074 -0.460 25848 7021 1 19 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.226 -0.695 25848 7022 1 19 . 1 1 21 21 GLY H H 21 8.719 8.719 8.353 0.366 25848 7023 1 19 . 1 1 22 22 LEU N N 22 120.372 120.372 118.531 1.841 25848 7024 1 19 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.238 -0.157 25848 7025 1 19 . 1 1 22 22 LEU C C 22 174.927 174.927 175.888 -0.961 25848 7026 1 19 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.067 -0.617 25848 7027 1 19 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.997 -1.486 25848 7028 1 19 . 1 1 22 22 LEU H H 22 7.641 7.641 7.167 0.474 25848 7029 1 19 . 1 1 23 23 GLU N N 23 117.193 117.193 118.885 -1.692 25848 7030 1 19 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.605 0.103 25848 7031 1 19 . 1 1 23 23 GLU C C 23 173.821 173.821 174.719 -0.898 25848 7032 1 19 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.790 -1.458 25848 7033 1 19 . 1 1 23 23 GLU CB C 23 32.486 32.486 34.646 -2.160 25848 7034 1 19 . 1 1 23 23 GLU H H 23 9.299 9.299 8.705 0.594 25848 7035 1 19 . 1 1 24 24 CYS N N 24 123.260 123.260 124.900 -1.640 25848 7036 1 19 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.454 0.347 25848 7037 1 19 . 1 1 24 24 CYS CB C 24 40.295 40.295 25.508 14.787 25848 7038 1 19 . 1 1 24 24 CYS H H 24 8.953 8.953 8.792 0.161 25848 7039 1 19 . 1 1 25 25 TYR N N 25 134.523 134.523 129.997 4.526 25848 7040 1 19 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.599 0.214 25848 7041 1 19 . 1 1 25 25 TYR C C 25 173.768 173.768 173.865 -0.097 25848 7042 1 19 . 1 1 25 25 TYR CB C 25 43.346 43.346 42.111 1.235 25848 7043 1 19 . 1 1 25 25 TYR H H 25 9.338 9.338 8.410 0.928 25848 7044 1 19 . 1 1 26 26 LYS N N 26 127.496 127.496 122.478 5.018 25848 7045 1 19 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.222 -0.126 25848 7046 1 19 . 1 1 26 26 LYS C C 26 174.360 174.360 175.178 -0.818 25848 7047 1 19 . 1 1 26 26 LYS CA C 26 55.938 55.938 55.010 0.928 25848 7048 1 19 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.659 -0.992 25848 7049 1 19 . 1 1 26 26 LYS H H 26 8.176 8.176 7.530 0.646 25848 7050 1 19 . 1 1 27 27 ARG N N 27 125.899 125.899 122.502 3.397 25848 7051 1 19 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.306 -0.081 25848 7052 1 19 . 1 1 27 27 ARG C C 27 174.385 174.385 176.990 -2.605 25848 7053 1 19 . 1 1 27 27 ARG CA C 27 55.989 55.989 55.605 0.384 25848 7054 1 19 . 1 1 27 27 ARG CB C 27 32.009 32.009 30.905 1.104 25848 7055 1 19 . 1 1 27 27 ARG H H 27 7.493 7.493 8.431 -0.938 25848 7056 1 19 . 1 1 28 28 ARG N N 28 121.214 121.214 120.391 0.823 25848 7057 1 19 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.041 -0.129 25848 7058 1 19 . 1 1 28 28 ARG C C 28 176.613 176.613 177.155 -0.542 25848 7059 1 19 . 1 1 28 28 ARG CA C 28 57.614 57.614 58.023 -0.409 25848 7060 1 19 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.127 -0.452 25848 7061 1 19 . 1 1 28 28 ARG H H 28 8.519 8.519 8.543 -0.024 25848 7062 1 19 . 1 1 29 29 HIS N N 29 116.413 116.413 115.464 0.949 25848 7063 1 19 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.684 -0.204 25848 7064 1 19 . 1 1 29 29 HIS C C 29 174.166 174.166 173.526 0.640 25848 7065 1 19 . 1 1 29 29 HIS CA C 29 56.020 56.020 55.577 0.443 25848 7066 1 19 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.704 -2.570 25848 7067 1 19 . 1 1 29 29 HIS H H 29 8.771 8.771 8.238 0.533 25848 7068 1 19 . 1 1 30 30 SER N N 30 113.403 113.403 115.912 -2.509 25848 7069 1 19 . 1 1 30 30 SER HA H 30 4.469 4.469 4.600 -0.131 25848 7070 1 19 . 1 1 30 30 SER C C 30 173.332 173.332 173.627 -0.295 25848 7071 1 19 . 1 1 30 30 SER CA C 30 57.257 57.257 57.278 -0.021 25848 7072 1 19 . 1 1 30 30 SER CB C 30 63.559 63.559 64.630 -1.071 25848 7073 1 19 . 1 1 30 30 SER H H 30 7.826 7.826 7.671 0.155 25848 7074 1 19 . 1 1 31 31 PHE N N 31 118.662 118.662 121.305 -2.643 25848 7075 1 19 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.416 0.377 25848 7076 1 19 . 1 1 31 31 PHE CB C 31 40.312 40.312 38.695 1.617 25848 7077 1 19 . 1 1 31 31 PHE H H 31 7.801 7.801 8.168 -0.367 25848 7078 1 19 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.268 0.342 25848 7079 1 19 . 1 1 32 32 GLU CB C 32 30.289 30.289 29.046 1.243 25848 7080 1 19 . 1 1 33 33 VAL N N 33 121.027 121.027 118.370 2.657 25848 7081 1 19 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.632 0.469 25848 7082 1 19 . 1 1 33 33 VAL C C 33 175.754 175.754 175.031 0.723 25848 7083 1 19 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.863 -1.318 25848 7084 1 19 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.838 1.626 25848 7085 1 19 . 1 1 33 33 VAL H H 33 8.581 8.581 7.811 0.770 25848 7086 1 19 . 1 1 34 34 CYS N N 34 119.365 119.365 119.731 -0.366 25848 7087 1 19 . 1 1 34 34 CYS HA H 34 5.064 5.064 5.010 0.054 25848 7088 1 19 . 1 1 34 34 CYS C C 34 174.853 174.853 174.629 0.224 25848 7089 1 19 . 1 1 34 34 CYS CA C 34 54.695 54.695 60.023 -5.327 25848 7090 1 19 . 1 1 34 34 CYS CB C 34 39.974 39.974 26.009 13.964 25848 7091 1 19 . 1 1 34 34 CYS H H 34 7.968 7.968 8.721 -0.753 25848 7092 1 19 . 1 1 35 35 VAL N N 35 122.141 122.141 116.588 5.553 25848 7093 1 19 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.036 0.432 25848 7094 1 19 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.626 0.404 25848 7095 1 19 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.600 -0.384 25848 7096 1 19 . 1 1 35 35 VAL H H 35 9.611 9.611 8.754 0.857 25848 7097 1 19 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.657 -0.259 25848 7098 1 19 . 1 1 36 36 PRO C C 36 176.509 176.509 176.602 -0.093 25848 7099 1 19 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.385 0.935 25848 7100 1 19 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.946 0.166 25848 7101 1 19 . 1 1 37 37 ILE N N 37 125.294 125.294 125.996 -0.702 25848 7102 1 19 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.322 -0.191 25848 7103 1 19 . 1 1 37 37 ILE CA C 37 59.790 59.790 58.947 0.844 25848 7104 1 19 . 1 1 37 37 ILE CB C 37 39.566 39.566 37.813 1.753 25848 7105 1 19 . 1 1 37 37 ILE H H 37 7.927 7.927 7.928 -0.001 25848 7106 1 19 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.468 -0.131 25848 7107 1 19 . 1 1 38 38 PRO C C 38 177.800 177.800 177.889 -0.089 25848 7108 1 19 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.495 0.599 25848 7109 1 19 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.420 0.311 25848 7110 1 19 . 1 1 39 39 GLY N N 39 112.745 112.745 112.947 -0.202 25848 7111 1 19 . 1 1 39 39 GLY C C 39 174.463 174.463 174.128 0.335 25848 7112 1 19 . 1 1 39 39 GLY CA C 39 45.463 45.463 44.724 0.739 25848 7113 1 19 . 1 1 39 39 GLY H H 39 8.843 8.843 8.787 0.056 25848 7114 1 19 . 1 1 40 40 PHE N N 40 120.803 120.803 121.401 -0.598 25848 7115 1 19 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.425 -0.104 25848 7116 1 19 . 1 1 40 40 PHE C C 40 174.706 174.706 174.292 0.414 25848 7117 1 19 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.072 0.596 25848 7118 1 19 . 1 1 40 40 PHE CB C 40 39.815 39.815 40.097 -0.282 25848 7119 1 19 . 1 1 40 40 PHE H H 40 7.762 7.762 7.651 0.111 25848 7120 1 19 . 1 1 41 41 CYS N N 41 120.807 120.807 122.000 -1.193 25848 7121 1 19 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.722 -0.148 25848 7122 1 19 . 1 1 41 41 CYS C C 41 171.732 171.732 171.840 -0.108 25848 7123 1 19 . 1 1 41 41 CYS CA C 41 53.666 53.666 56.370 -2.704 25848 7124 1 19 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.243 13.866 25848 7125 1 19 . 1 1 41 41 CYS H H 41 7.040 7.040 7.430 -0.390 25848 7126 1 19 . 1 1 42 42 LEU N N 42 119.987 119.987 120.354 -0.367 25848 7127 1 19 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.738 -0.466 25848 7128 1 19 . 1 1 42 42 LEU C C 42 173.872 173.872 175.797 -1.925 25848 7129 1 19 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.233 0.770 25848 7130 1 19 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.541 -0.715 25848 7131 1 19 . 1 1 42 42 LEU H H 42 8.728 8.728 8.066 0.662 25848 7132 1 19 . 1 1 43 43 VAL N N 43 115.632 115.632 116.763 -1.131 25848 7133 1 19 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.388 -0.580 25848 7134 1 19 . 1 1 43 43 VAL C C 43 173.751 173.751 176.146 -2.395 25848 7135 1 19 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.384 -0.126 25848 7136 1 19 . 1 1 43 43 VAL CB C 43 32.857 32.857 33.837 -0.980 25848 7137 1 19 . 1 1 43 43 VAL H H 43 7.192 7.192 8.229 -1.037 25848 7138 1 19 . 1 1 44 44 LYS N N 44 117.023 117.023 117.130 -0.107 25848 7139 1 19 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.144 -0.914 25848 7140 1 19 . 1 1 44 44 LYS C C 44 176.385 176.385 175.385 1.000 25848 7141 1 19 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.089 0.684 25848 7142 1 19 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.620 0.411 25848 7143 1 19 . 1 1 44 44 LYS H H 44 7.531 7.531 8.578 -1.047 25848 7144 1 19 . 1 1 45 45 TRP N N 45 117.377 117.377 118.428 -1.051 25848 7145 1 19 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.797 -0.350 25848 7146 1 19 . 1 1 45 45 TRP C C 45 175.675 175.675 175.000 0.675 25848 7147 1 19 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.101 1.920 25848 7148 1 19 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.644 -2.649 25848 7149 1 19 . 1 1 45 45 TRP H H 45 9.364 9.364 7.613 1.751 25848 7150 1 19 . 1 1 46 46 LYS N N 46 119.913 119.913 119.957 -0.044 25848 7151 1 19 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.761 -0.371 25848 7152 1 19 . 1 1 46 46 LYS C C 46 176.776 176.776 175.960 0.816 25848 7153 1 19 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.726 0.435 25848 7154 1 19 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.141 -1.475 25848 7155 1 19 . 1 1 46 46 LYS H H 46 7.985 7.985 7.449 0.536 25848 7156 1 19 . 1 1 47 47 GLN N N 47 121.031 121.031 120.205 0.826 25848 7157 1 19 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.340 0.539 25848 7158 1 19 . 1 1 47 47 GLN C C 47 177.118 177.118 176.741 0.377 25848 7159 1 19 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.953 -0.398 25848 7160 1 19 . 1 1 47 47 GLN H H 47 8.623 8.623 8.757 -0.134 25848 7161 1 19 . 1 1 48 48 CYS N N 48 115.456 115.456 119.945 -4.489 25848 7162 1 19 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.696 0.060 25848 7163 1 19 . 1 1 48 48 CYS C C 48 173.978 173.978 175.388 -1.410 25848 7164 1 19 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.124 14.865 25848 7165 1 19 . 1 1 48 48 CYS H H 48 8.365 8.365 8.496 -0.131 25848 7166 1 19 . 1 1 49 49 ASP N N 49 123.208 123.208 123.654 -0.446 25848 7167 1 19 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.383 0.065 25848 7168 1 19 . 1 1 49 49 ASP C C 49 177.773 177.773 177.252 0.521 25848 7169 1 19 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.506 0.482 25848 7170 1 19 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.949 0.131 25848 7171 1 19 . 1 1 49 49 ASP H H 49 7.839 7.839 7.558 0.281 25848 7172 1 19 . 1 1 50 50 GLY N N 50 115.583 115.583 114.742 0.841 25848 7173 1 19 . 1 1 50 50 GLY C C 50 173.522 173.522 175.257 -1.735 25848 7174 1 19 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.524 0.760 25848 7175 1 19 . 1 1 50 50 GLY H H 50 9.371 9.371 8.855 0.516 25848 7176 1 19 . 1 1 51 51 ARG N N 51 122.794 122.794 119.960 2.834 25848 7177 1 19 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.692 -0.034 25848 7178 1 19 . 1 1 51 51 ARG C C 51 176.977 176.977 176.574 0.403 25848 7179 1 19 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.266 0.486 25848 7180 1 19 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.702 1.381 25848 7181 1 19 . 1 1 51 51 ARG H H 51 8.199 8.199 7.873 0.326 25848 7182 1 19 . 1 1 52 52 GLU N N 52 117.957 117.957 119.045 -1.088 25848 7183 1 19 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.127 -0.053 25848 7184 1 19 . 1 1 52 52 GLU C C 52 178.254 178.254 176.457 1.797 25848 7185 1 19 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.495 2.736 25848 7186 1 19 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.453 -0.645 25848 7187 1 19 . 1 1 52 52 GLU H H 52 8.992 8.992 8.478 0.514 25848 7188 1 19 . 1 1 53 53 ARG N N 53 116.423 116.423 115.639 0.784 25848 7189 1 19 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.546 0.018 25848 7190 1 19 . 1 1 53 53 ARG C C 53 177.327 177.327 175.549 1.778 25848 7191 1 19 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.924 -0.444 25848 7192 1 19 . 1 1 53 53 ARG CB C 53 29.265 29.265 29.810 -0.545 25848 7193 1 19 . 1 1 53 53 ARG H H 53 8.513 8.513 7.919 0.594 25848 7194 1 19 . 1 1 54 54 ASP N N 54 118.043 118.043 120.527 -2.484 25848 7195 1 19 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.822 -0.007 25848 7196 1 19 . 1 1 54 54 ASP C C 54 176.941 176.941 175.227 1.714 25848 7197 1 19 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.541 -2.794 25848 7198 1 19 . 1 1 54 54 ASP H H 54 7.933 7.933 7.771 0.162 25848 7199 1 19 . 1 1 55 55 CYS N N 55 118.999 118.999 118.450 0.549 25848 7200 1 19 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.173 0.804 25848 7201 1 19 . 1 1 55 55 CYS C C 55 175.757 175.757 175.411 0.346 25848 7202 1 19 . 1 1 55 55 CYS CA C 55 55.989 55.989 61.012 -5.023 25848 7203 1 19 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.267 11.167 25848 7204 1 19 . 1 1 55 55 CYS H H 55 8.222 8.222 7.651 0.571 25848 7205 1 19 . 1 1 56 56 CYS N N 56 121.139 121.139 120.024 1.115 25848 7206 1 19 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.313 0.021 25848 7207 1 19 . 1 1 56 56 CYS C C 56 171.957 171.957 175.556 -3.599 25848 7208 1 19 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.882 -5.391 25848 7209 1 19 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.344 12.669 25848 7210 1 19 . 1 1 56 56 CYS H H 56 8.999 8.999 8.067 0.932 25848 7211 1 19 . 1 1 57 57 ALA N N 57 120.553 120.553 124.596 -4.043 25848 7212 1 19 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.128 -0.055 25848 7213 1 19 . 1 1 57 57 ALA C C 57 178.248 178.248 178.306 -0.058 25848 7214 1 19 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.247 0.517 25848 7215 1 19 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.411 -0.014 25848 7216 1 19 . 1 1 57 57 ALA H H 57 8.084 8.084 8.543 -0.459 25848 7217 1 19 . 1 1 58 58 GLY N N 58 110.247 110.247 111.550 -1.303 25848 7218 1 19 . 1 1 58 58 GLY C C 58 173.204 173.204 173.760 -0.556 25848 7219 1 19 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.763 -0.005 25848 7220 1 19 . 1 1 58 58 GLY H H 58 8.713 8.713 8.564 0.149 25848 7221 1 19 . 1 1 59 59 LEU N N 59 120.155 120.155 121.352 -1.197 25848 7222 1 19 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.589 0.377 25848 7223 1 19 . 1 1 59 59 LEU C C 59 175.349 175.349 175.927 -0.578 25848 7224 1 19 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.552 -2.107 25848 7225 1 19 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.620 0.864 25848 7226 1 19 . 1 1 59 59 LEU H H 59 7.901 7.901 7.345 0.556 25848 7227 1 19 . 1 1 60 60 GLU N N 60 117.726 117.726 114.361 3.365 25848 7228 1 19 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.506 0.173 25848 7229 1 19 . 1 1 60 60 GLU C C 60 174.016 174.016 174.732 -0.716 25848 7230 1 19 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.243 0.352 25848 7231 1 19 . 1 1 60 60 GLU H H 60 9.145 9.145 8.146 0.999 25848 7232 1 19 . 1 1 61 61 CYS N N 61 122.299 122.299 122.705 -0.406 25848 7233 1 19 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.399 0.447 25848 7234 1 19 . 1 1 61 61 CYS C C 61 173.374 173.374 174.901 -1.527 25848 7235 1 19 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.378 14.096 25848 7236 1 19 . 1 1 61 61 CYS H H 61 9.064 9.064 9.012 0.052 25848 7237 1 19 . 1 1 62 62 TRP N N 62 135.668 135.668 131.140 4.528 25848 7238 1 19 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.608 0.290 25848 7239 1 19 . 1 1 62 62 TRP C C 62 174.430 174.430 174.892 -0.462 25848 7240 1 19 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.088 1.378 25848 7241 1 19 . 1 1 62 62 TRP CB C 62 30.985 30.985 31.006 -0.021 25848 7242 1 19 . 1 1 62 62 TRP H H 62 9.434 9.434 8.589 0.845 25848 7243 1 19 . 1 1 63 63 LYS N N 63 128.624 128.624 128.105 0.519 25848 7244 1 19 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.334 0.013 25848 7245 1 19 . 1 1 63 63 LYS C C 63 175.409 175.409 175.576 -0.167 25848 7246 1 19 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.195 0.426 25848 7247 1 19 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.258 0.260 25848 7248 1 19 . 1 1 63 63 LYS H H 63 8.392 8.392 8.598 -0.206 25848 7249 1 19 . 1 1 64 64 ARG N N 64 125.507 125.507 124.617 0.890 25848 7250 1 19 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.302 -0.367 25848 7251 1 19 . 1 1 64 64 ARG C C 64 175.704 175.704 174.586 1.118 25848 7252 1 19 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.480 0.374 25848 7253 1 19 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.144 0.352 25848 7254 1 19 . 1 1 64 64 ARG H H 64 7.877 7.877 7.977 -0.100 25848 7255 1 19 . 1 1 65 65 SER N N 65 115.709 115.709 117.499 -1.790 25848 7256 1 19 . 1 1 65 65 SER HA H 65 4.306 4.306 4.765 -0.459 25848 7257 1 19 . 1 1 65 65 SER C C 65 175.289 175.289 174.883 0.406 25848 7258 1 19 . 1 1 65 65 SER CA C 65 58.778 58.778 57.752 1.026 25848 7259 1 19 . 1 1 65 65 SER CB C 65 63.667 63.667 64.776 -1.109 25848 7260 1 19 . 1 1 65 65 SER H H 65 8.198 8.198 8.354 -0.156 25848 7261 1 19 . 1 1 66 66 GLY N N 66 110.671 110.671 113.220 -2.549 25848 7262 1 19 . 1 1 66 66 GLY C C 66 174.634 174.634 175.066 -0.432 25848 7263 1 19 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.100 0.980 25848 7264 1 19 . 1 1 66 66 GLY H H 66 8.675 8.675 8.560 0.115 25848 7265 1 19 . 1 1 67 67 ASN N N 67 118.608 118.608 117.426 1.182 25848 7266 1 19 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.922 -0.260 25848 7267 1 19 . 1 1 67 67 ASN C C 67 175.108 175.108 175.694 -0.586 25848 7268 1 19 . 1 1 67 67 ASN CA C 67 52.755 52.755 54.143 -1.388 25848 7269 1 19 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.234 -0.734 25848 7270 1 19 . 1 1 67 67 ASN H H 67 8.374 8.374 8.184 0.190 25848 7271 1 19 . 1 1 68 68 LYS N N 68 119.218 119.218 118.711 0.507 25848 7272 1 19 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.442 -0.112 25848 7273 1 19 . 1 1 68 68 LYS C C 68 176.405 176.405 175.389 1.016 25848 7274 1 19 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.388 1.019 25848 7275 1 19 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.700 -0.793 25848 7276 1 19 . 1 1 68 68 LYS H H 68 7.816 7.816 7.747 0.069 25848 7277 1 19 . 1 1 69 69 SER N N 69 115.165 115.165 115.509 -0.344 25848 7278 1 19 . 1 1 69 69 SER HA H 69 4.615 4.615 4.375 0.240 25848 7279 1 19 . 1 1 69 69 SER C C 69 174.381 174.381 174.272 0.109 25848 7280 1 19 . 1 1 69 69 SER CA C 69 57.773 57.773 58.388 -0.615 25848 7281 1 19 . 1 1 69 69 SER CB C 69 64.533 64.533 63.891 0.642 25848 7282 1 19 . 1 1 69 69 SER H H 69 8.176 8.176 8.353 -0.177 25848 7283 1 19 . 1 1 70 70 SER N N 70 121.583 121.583 117.580 4.003 25848 7284 1 19 . 1 1 70 70 SER HA H 70 5.011 5.011 4.383 0.628 25848 7285 1 19 . 1 1 70 70 SER C C 70 175.256 175.256 174.463 0.793 25848 7286 1 19 . 1 1 70 70 SER CA C 70 58.455 58.455 59.053 -0.598 25848 7287 1 19 . 1 1 70 70 SER CB C 70 63.987 63.987 62.801 1.186 25848 7288 1 19 . 1 1 70 70 SER H H 70 9.539 9.539 8.323 1.216 25848 7289 1 19 . 1 1 71 71 VAL N N 71 115.977 115.977 117.815 -1.838 25848 7290 1 19 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.948 0.390 25848 7291 1 19 . 1 1 71 71 VAL C C 71 176.220 176.220 174.855 1.365 25848 7292 1 19 . 1 1 71 71 VAL CA C 71 58.655 58.655 58.770 -0.115 25848 7293 1 19 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.636 2.786 25848 7294 1 19 . 1 1 71 71 VAL H H 71 8.502 8.502 7.925 0.577 25848 7295 1 19 . 1 1 72 72 CYS N N 72 120.794 120.794 118.415 2.379 25848 7296 1 19 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.563 -0.538 25848 7297 1 19 . 1 1 72 72 CYS C C 72 174.142 174.142 174.517 -0.375 25848 7298 1 19 . 1 1 72 72 CYS CA C 72 54.465 54.465 58.043 -3.578 25848 7299 1 19 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.122 9.336 25848 7300 1 19 . 1 1 72 72 CYS H H 72 8.557 8.557 8.117 0.440 25848 7301 1 19 . 1 1 73 73 ALA N N 73 130.318 130.318 125.784 4.534 25848 7302 1 19 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.766 -0.306 25848 7303 1 19 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.514 0.083 25848 7304 1 19 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.307 1.227 25848 7305 1 19 . 1 1 73 73 ALA H H 73 9.629 9.629 8.816 0.813 25848 7306 1 19 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.586 -0.086 25848 7307 1 19 . 1 1 74 74 PRO C C 74 176.504 176.504 177.108 -0.604 25848 7308 1 19 . 1 1 74 74 PRO CA C 74 63.219 63.219 62.285 0.934 25848 7309 1 19 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.506 -0.603 25848 7310 1 19 . 1 1 75 75 ILE N N 75 122.019 122.019 114.543 7.476 25848 7311 1 19 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.302 -0.358 25848 7312 1 19 . 1 1 75 75 ILE C C 75 175.793 175.793 176.266 -0.473 25848 7313 1 19 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.993 0.353 25848 7314 1 19 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.938 1.031 25848 7315 1 19 . 1 1 75 75 ILE H H 75 7.769 7.769 7.813 -0.044 25848 7316 1 20 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.983 -0.272 25848 7317 1 20 . 1 1 2 2 ASN C C 2 174.785 174.785 174.569 0.216 25848 7318 1 20 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.374 -0.554 25848 7319 1 20 . 1 1 3 3 GLU N N 3 121.744 121.744 121.811 -0.067 25848 7320 1 20 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.464 -0.116 25848 7321 1 20 . 1 1 3 3 GLU C C 3 176.060 176.060 175.818 0.242 25848 7322 1 20 . 1 1 3 3 GLU CA C 3 56.267 56.267 55.896 0.371 25848 7323 1 20 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.884 -0.697 25848 7324 1 20 . 1 1 3 3 GLU H H 3 8.470 8.470 8.492 -0.022 25848 7325 1 20 . 1 1 4 4 CYS N N 4 119.765 119.765 117.121 2.644 25848 7326 1 20 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.634 0.163 25848 7327 1 20 . 1 1 4 4 CYS C C 4 173.263 173.263 175.627 -2.364 25848 7328 1 20 . 1 1 4 4 CYS CB C 4 42.301 42.301 28.856 13.445 25848 7329 1 20 . 1 1 4 4 CYS H H 4 8.317 8.317 8.398 -0.081 25848 7330 1 20 . 1 1 5 5 ILE N N 5 122.940 122.940 123.373 -0.433 25848 7331 1 20 . 1 1 5 5 ILE HA H 5 3.888 3.888 3.988 -0.100 25848 7332 1 20 . 1 1 5 5 ILE C C 5 173.890 173.890 175.883 -1.993 25848 7333 1 20 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.995 0.521 25848 7334 1 20 . 1 1 5 5 ILE CB C 5 39.280 39.280 37.987 1.292 25848 7335 1 20 . 1 1 5 5 ILE H H 5 8.912 8.912 8.080 0.832 25848 7336 1 20 . 1 1 6 6 ARG N N 6 125.981 125.981 127.460 -1.479 25848 7337 1 20 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.094 -0.232 25848 7338 1 20 . 1 1 6 6 ARG C C 6 174.259 174.259 176.103 -1.844 25848 7339 1 20 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.834 -0.816 25848 7340 1 20 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.804 0.973 25848 7341 1 20 . 1 1 6 6 ARG H H 6 7.528 7.528 8.372 -0.844 25848 7342 1 20 . 1 1 7 7 LYS N N 7 116.267 116.267 121.068 -4.801 25848 7343 1 20 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.980 -0.694 25848 7344 1 20 . 1 1 7 7 LYS C C 7 175.417 175.417 176.802 -1.385 25848 7345 1 20 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.322 1.002 25848 7346 1 20 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.615 0.056 25848 7347 1 20 . 1 1 7 7 LYS H H 7 7.558 7.558 8.333 -0.775 25848 7348 1 20 . 1 1 8 8 TRP N N 8 115.300 115.300 123.385 -8.085 25848 7349 1 20 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.327 -0.067 25848 7350 1 20 . 1 1 8 8 TRP C C 8 175.069 175.069 175.754 -0.685 25848 7351 1 20 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.248 -0.240 25848 7352 1 20 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.785 0.902 25848 7353 1 20 . 1 1 8 8 TRP H H 8 9.357 9.357 8.135 1.222 25848 7354 1 20 . 1 1 9 9 LEU N N 9 120.240 120.240 119.697 0.543 25848 7355 1 20 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.608 0.089 25848 7356 1 20 . 1 1 9 9 LEU C C 9 176.636 176.636 176.643 -0.007 25848 7357 1 20 . 1 1 9 9 LEU CB C 9 42.248 42.248 43.986 -1.738 25848 7358 1 20 . 1 1 9 9 LEU H H 9 7.701 7.701 7.969 -0.268 25848 7359 1 20 . 1 1 10 10 SER N N 10 110.077 110.077 109.843 0.234 25848 7360 1 20 . 1 1 10 10 SER HA H 10 4.704 4.704 4.700 0.004 25848 7361 1 20 . 1 1 10 10 SER CB C 10 64.064 64.064 64.459 -0.395 25848 7362 1 20 . 1 1 10 10 SER H H 10 8.148 8.148 7.963 0.185 25848 7363 1 20 . 1 1 11 11 CYS N N 11 121.141 121.141 125.210 -4.069 25848 7364 1 20 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.816 0.054 25848 7365 1 20 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.580 16.451 25848 7366 1 20 . 1 1 11 11 CYS H H 11 8.580 8.580 9.051 -0.471 25848 7367 1 20 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.818 -0.253 25848 7368 1 20 . 1 1 12 12 VAL CA C 12 65.197 65.197 64.953 0.244 25848 7369 1 20 . 1 1 12 12 VAL H H 12 7.776 7.776 8.126 -0.350 25848 7370 1 20 . 1 1 15 15 LYS N N 15 117.195 117.195 122.388 -5.193 25848 7371 1 20 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.152 0.207 25848 7372 1 20 . 1 1 15 15 LYS C C 15 177.505 177.505 177.501 0.004 25848 7373 1 20 . 1 1 15 15 LYS CA C 15 59.442 59.442 57.779 1.663 25848 7374 1 20 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.248 0.323 25848 7375 1 20 . 1 1 15 15 LYS H H 15 7.936 7.936 8.512 -0.576 25848 7376 1 20 . 1 1 16 16 ASN N N 16 115.005 115.005 117.083 -2.078 25848 7377 1 20 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.674 0.401 25848 7378 1 20 . 1 1 16 16 ASN C C 16 176.707 176.707 174.795 1.912 25848 7379 1 20 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.353 -1.343 25848 7380 1 20 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.175 0.994 25848 7381 1 20 . 1 1 16 16 ASN H H 16 8.644 8.644 8.594 0.050 25848 7382 1 20 . 1 1 17 17 ASP N N 17 118.040 118.040 118.006 0.034 25848 7383 1 20 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.851 0.011 25848 7384 1 20 . 1 1 17 17 ASP C C 17 176.756 176.756 175.997 0.759 25848 7385 1 20 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.265 0.745 25848 7386 1 20 . 1 1 17 17 ASP H H 17 7.592 7.592 7.711 -0.119 25848 7387 1 20 . 1 1 18 18 CYS N N 18 119.499 119.499 117.935 1.564 25848 7388 1 20 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.250 0.650 25848 7389 1 20 . 1 1 18 18 CYS C C 18 176.186 176.186 174.423 1.763 25848 7390 1 20 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.498 11.389 25848 7391 1 20 . 1 1 18 18 CYS H H 18 8.729 8.729 8.037 0.692 25848 7392 1 20 . 1 1 19 19 CYS N N 19 120.655 120.655 112.839 7.816 25848 7393 1 20 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.383 0.032 25848 7394 1 20 . 1 1 19 19 CYS C C 19 171.719 171.719 172.746 -1.027 25848 7395 1 20 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.129 -3.560 25848 7396 1 20 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.692 11.225 25848 7397 1 20 . 1 1 19 19 CYS H H 19 9.086 9.086 8.078 1.008 25848 7398 1 20 . 1 1 20 20 GLU N N 20 118.445 118.445 123.033 -4.588 25848 7399 1 20 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.329 -0.398 25848 7400 1 20 . 1 1 20 20 GLU C C 20 176.509 176.509 176.700 -0.191 25848 7401 1 20 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.833 0.987 25848 7402 1 20 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.853 0.050 25848 7403 1 20 . 1 1 20 20 GLU H H 20 8.155 8.155 8.862 -0.707 25848 7404 1 20 . 1 1 21 21 GLY N N 21 113.662 113.662 113.261 0.401 25848 7405 1 20 . 1 1 21 21 GLY C C 21 172.614 172.614 172.715 -0.101 25848 7406 1 20 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.274 -0.743 25848 7407 1 20 . 1 1 21 21 GLY H H 21 8.719 8.719 8.569 0.150 25848 7408 1 20 . 1 1 22 22 LEU N N 22 120.372 120.372 118.402 1.970 25848 7409 1 20 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.265 -0.184 25848 7410 1 20 . 1 1 22 22 LEU C C 22 174.927 174.927 175.939 -1.012 25848 7411 1 20 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.150 -0.700 25848 7412 1 20 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.837 -1.325 25848 7413 1 20 . 1 1 22 22 LEU H H 22 7.641 7.641 7.178 0.463 25848 7414 1 20 . 1 1 23 23 GLU N N 23 117.193 117.193 118.261 -1.068 25848 7415 1 20 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.653 0.055 25848 7416 1 20 . 1 1 23 23 GLU C C 23 173.821 173.821 174.777 -0.956 25848 7417 1 20 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.427 -1.095 25848 7418 1 20 . 1 1 23 23 GLU CB C 23 32.486 32.486 34.469 -1.983 25848 7419 1 20 . 1 1 23 23 GLU H H 23 9.299 9.299 8.702 0.597 25848 7420 1 20 . 1 1 24 24 CYS N N 24 123.260 123.260 119.890 3.370 25848 7421 1 20 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.823 -0.022 25848 7422 1 20 . 1 1 24 24 CYS CB C 24 40.295 40.295 27.052 13.243 25848 7423 1 20 . 1 1 24 24 CYS H H 24 8.953 8.953 8.716 0.237 25848 7424 1 20 . 1 1 25 25 TYR N N 25 134.523 134.523 127.784 6.739 25848 7425 1 20 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.528 0.285 25848 7426 1 20 . 1 1 25 25 TYR C C 25 173.768 173.768 174.060 -0.292 25848 7427 1 20 . 1 1 25 25 TYR CB C 25 43.346 43.346 40.947 2.399 25848 7428 1 20 . 1 1 25 25 TYR H H 25 9.338 9.338 8.075 1.263 25848 7429 1 20 . 1 1 26 26 LYS N N 26 127.496 127.496 123.771 3.725 25848 7430 1 20 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.181 -0.085 25848 7431 1 20 . 1 1 26 26 LYS C C 26 174.360 174.360 174.995 -0.635 25848 7432 1 20 . 1 1 26 26 LYS CA C 26 55.938 55.938 55.629 0.309 25848 7433 1 20 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.138 -0.471 25848 7434 1 20 . 1 1 26 26 LYS H H 26 8.176 8.176 7.707 0.469 25848 7435 1 20 . 1 1 27 27 ARG N N 27 125.899 125.899 121.994 3.905 25848 7436 1 20 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.364 -0.139 25848 7437 1 20 . 1 1 27 27 ARG C C 27 174.385 174.385 174.702 -0.317 25848 7438 1 20 . 1 1 27 27 ARG CA C 27 55.989 55.989 55.232 0.757 25848 7439 1 20 . 1 1 27 27 ARG CB C 27 32.009 32.009 30.329 1.680 25848 7440 1 20 . 1 1 27 27 ARG H H 27 7.493 7.493 8.063 -0.570 25848 7441 1 20 . 1 1 28 28 ARG N N 28 121.214 121.214 118.870 2.344 25848 7442 1 20 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.344 -0.432 25848 7443 1 20 . 1 1 28 28 ARG C C 28 176.613 176.613 176.306 0.307 25848 7444 1 20 . 1 1 28 28 ARG CA C 28 57.614 57.614 56.049 1.565 25848 7445 1 20 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.690 -1.015 25848 7446 1 20 . 1 1 28 28 ARG H H 28 8.519 8.519 8.427 0.092 25848 7447 1 20 . 1 1 29 29 HIS N N 29 116.413 116.413 118.483 -2.070 25848 7448 1 20 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.734 -0.254 25848 7449 1 20 . 1 1 29 29 HIS C C 29 174.166 174.166 174.634 -0.468 25848 7450 1 20 . 1 1 29 29 HIS CA C 29 56.020 56.020 56.433 -0.413 25848 7451 1 20 . 1 1 29 29 HIS CB C 29 28.134 28.134 29.942 -1.808 25848 7452 1 20 . 1 1 29 29 HIS H H 29 8.771 8.771 8.411 0.360 25848 7453 1 20 . 1 1 30 30 SER N N 30 113.403 113.403 114.694 -1.291 25848 7454 1 20 . 1 1 30 30 SER HA H 30 4.469 4.469 4.921 -0.452 25848 7455 1 20 . 1 1 30 30 SER C C 30 173.332 173.332 172.869 0.463 25848 7456 1 20 . 1 1 30 30 SER CA C 30 57.257 57.257 57.184 0.073 25848 7457 1 20 . 1 1 30 30 SER CB C 30 63.559 63.559 64.932 -1.373 25848 7458 1 20 . 1 1 30 30 SER H H 30 7.826 7.826 7.910 -0.084 25848 7459 1 20 . 1 1 31 31 PHE N N 31 118.662 118.662 119.963 -1.301 25848 7460 1 20 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.938 -0.145 25848 7461 1 20 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.870 0.442 25848 7462 1 20 . 1 1 31 31 PHE H H 31 7.801 7.801 8.279 -0.478 25848 7463 1 20 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.244 0.366 25848 7464 1 20 . 1 1 32 32 GLU CB C 32 30.289 30.289 29.947 0.342 25848 7465 1 20 . 1 1 33 33 VAL N N 33 121.027 121.027 115.833 5.194 25848 7466 1 20 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.511 0.590 25848 7467 1 20 . 1 1 33 33 VAL C C 33 175.754 175.754 174.864 0.890 25848 7468 1 20 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.266 -0.721 25848 7469 1 20 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.308 2.156 25848 7470 1 20 . 1 1 33 33 VAL H H 33 8.581 8.581 8.161 0.420 25848 7471 1 20 . 1 1 34 34 CYS N N 34 119.365 119.365 119.931 -0.566 25848 7472 1 20 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.619 0.445 25848 7473 1 20 . 1 1 34 34 CYS C C 34 174.853 174.853 175.036 -0.183 25848 7474 1 20 . 1 1 34 34 CYS CA C 34 54.695 54.695 60.066 -5.371 25848 7475 1 20 . 1 1 34 34 CYS CB C 34 39.974 39.974 24.742 15.232 25848 7476 1 20 . 1 1 34 34 CYS H H 34 7.968 7.968 8.718 -0.750 25848 7477 1 20 . 1 1 35 35 VAL N N 35 122.141 122.141 119.891 2.250 25848 7478 1 20 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.158 0.310 25848 7479 1 20 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.553 0.477 25848 7480 1 20 . 1 1 35 35 VAL CB C 35 33.216 33.216 32.881 0.335 25848 7481 1 20 . 1 1 35 35 VAL H H 35 9.611 9.611 8.898 0.713 25848 7482 1 20 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.588 -0.190 25848 7483 1 20 . 1 1 36 36 PRO C C 36 176.509 176.509 176.589 -0.080 25848 7484 1 20 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.423 0.897 25848 7485 1 20 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.907 0.205 25848 7486 1 20 . 1 1 37 37 ILE N N 37 125.294 125.294 125.871 -0.577 25848 7487 1 20 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.385 -0.254 25848 7488 1 20 . 1 1 37 37 ILE CA C 37 59.790 59.790 58.853 0.937 25848 7489 1 20 . 1 1 37 37 ILE CB C 37 39.566 39.566 37.897 1.669 25848 7490 1 20 . 1 1 37 37 ILE H H 37 7.927 7.927 7.820 0.107 25848 7491 1 20 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.545 -0.208 25848 7492 1 20 . 1 1 38 38 PRO C C 38 177.800 177.800 177.531 0.269 25848 7493 1 20 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.578 0.517 25848 7494 1 20 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.980 -0.249 25848 7495 1 20 . 1 1 39 39 GLY N N 39 112.745 112.745 112.435 0.310 25848 7496 1 20 . 1 1 39 39 GLY C C 39 174.463 174.463 174.787 -0.324 25848 7497 1 20 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.223 0.240 25848 7498 1 20 . 1 1 39 39 GLY H H 39 8.843 8.843 8.503 0.340 25848 7499 1 20 . 1 1 40 40 PHE N N 40 120.803 120.803 119.896 0.907 25848 7500 1 20 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.515 -0.194 25848 7501 1 20 . 1 1 40 40 PHE C C 40 174.706 174.706 175.033 -0.327 25848 7502 1 20 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.198 0.470 25848 7503 1 20 . 1 1 40 40 PHE CB C 40 39.815 39.815 39.983 -0.168 25848 7504 1 20 . 1 1 40 40 PHE H H 40 7.762 7.762 7.563 0.199 25848 7505 1 20 . 1 1 41 41 CYS N N 41 120.807 120.807 121.774 -0.967 25848 7506 1 20 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.470 0.104 25848 7507 1 20 . 1 1 41 41 CYS C C 41 171.732 171.732 171.788 -0.056 25848 7508 1 20 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.249 -1.583 25848 7509 1 20 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.570 13.539 25848 7510 1 20 . 1 1 41 41 CYS H H 41 7.040 7.040 7.366 -0.326 25848 7511 1 20 . 1 1 42 42 LEU N N 42 119.987 119.987 120.923 -0.936 25848 7512 1 20 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.744 -0.472 25848 7513 1 20 . 1 1 42 42 LEU C C 42 173.872 173.872 175.928 -2.056 25848 7514 1 20 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.258 0.745 25848 7515 1 20 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.665 -0.839 25848 7516 1 20 . 1 1 42 42 LEU H H 42 8.728 8.728 8.131 0.597 25848 7517 1 20 . 1 1 43 43 VAL N N 43 115.632 115.632 116.198 -0.566 25848 7518 1 20 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.411 -0.603 25848 7519 1 20 . 1 1 43 43 VAL C C 43 173.751 173.751 176.287 -2.536 25848 7520 1 20 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.683 -0.425 25848 7521 1 20 . 1 1 43 43 VAL CB C 43 32.857 32.857 33.814 -0.957 25848 7522 1 20 . 1 1 43 43 VAL H H 43 7.192 7.192 8.159 -0.967 25848 7523 1 20 . 1 1 44 44 LYS N N 44 117.023 117.023 118.110 -1.087 25848 7524 1 20 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.118 -0.888 25848 7525 1 20 . 1 1 44 44 LYS C C 44 176.385 176.385 175.557 0.828 25848 7526 1 20 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.161 0.612 25848 7527 1 20 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.790 0.241 25848 7528 1 20 . 1 1 44 44 LYS H H 44 7.531 7.531 8.647 -1.116 25848 7529 1 20 . 1 1 45 45 TRP N N 45 117.377 117.377 118.174 -0.797 25848 7530 1 20 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.790 -0.343 25848 7531 1 20 . 1 1 45 45 TRP C C 45 175.675 175.675 175.036 0.639 25848 7532 1 20 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.087 1.934 25848 7533 1 20 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.697 -2.702 25848 7534 1 20 . 1 1 45 45 TRP H H 45 9.364 9.364 7.621 1.743 25848 7535 1 20 . 1 1 46 46 LYS N N 46 119.913 119.913 120.079 -0.166 25848 7536 1 20 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.754 -0.364 25848 7537 1 20 . 1 1 46 46 LYS C C 46 176.776 176.776 176.022 0.754 25848 7538 1 20 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.749 0.412 25848 7539 1 20 . 1 1 46 46 LYS CB C 46 33.666 33.666 34.941 -1.275 25848 7540 1 20 . 1 1 46 46 LYS H H 46 7.985 7.985 7.423 0.562 25848 7541 1 20 . 1 1 47 47 GLN N N 47 121.031 121.031 120.356 0.675 25848 7542 1 20 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.336 0.543 25848 7543 1 20 . 1 1 47 47 GLN C C 47 177.118 177.118 176.739 0.379 25848 7544 1 20 . 1 1 47 47 GLN CB C 47 28.555 28.555 29.016 -0.461 25848 7545 1 20 . 1 1 47 47 GLN H H 47 8.623 8.623 8.768 -0.145 25848 7546 1 20 . 1 1 48 48 CYS N N 48 115.456 115.456 120.191 -4.735 25848 7547 1 20 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.826 -0.070 25848 7548 1 20 . 1 1 48 48 CYS C C 48 173.978 173.978 175.485 -1.507 25848 7549 1 20 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.383 14.606 25848 7550 1 20 . 1 1 48 48 CYS H H 48 8.365 8.365 8.389 -0.024 25848 7551 1 20 . 1 1 49 49 ASP N N 49 123.208 123.208 123.890 -0.682 25848 7552 1 20 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.439 0.009 25848 7553 1 20 . 1 1 49 49 ASP C C 49 177.773 177.773 177.200 0.573 25848 7554 1 20 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.436 0.552 25848 7555 1 20 . 1 1 49 49 ASP CB C 49 41.080 41.080 41.185 -0.105 25848 7556 1 20 . 1 1 49 49 ASP H H 49 7.839 7.839 7.660 0.179 25848 7557 1 20 . 1 1 50 50 GLY N N 50 115.583 115.583 115.234 0.349 25848 7558 1 20 . 1 1 50 50 GLY C C 50 173.522 173.522 175.026 -1.504 25848 7559 1 20 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.965 0.319 25848 7560 1 20 . 1 1 50 50 GLY H H 50 9.371 9.371 9.074 0.297 25848 7561 1 20 . 1 1 51 51 ARG N N 51 122.794 122.794 122.034 0.760 25848 7562 1 20 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.613 0.045 25848 7563 1 20 . 1 1 51 51 ARG C C 51 176.977 176.977 176.808 0.169 25848 7564 1 20 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.653 0.099 25848 7565 1 20 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.860 1.223 25848 7566 1 20 . 1 1 51 51 ARG H H 51 8.199 8.199 7.974 0.225 25848 7567 1 20 . 1 1 52 52 GLU N N 52 117.957 117.957 118.921 -0.964 25848 7568 1 20 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.089 -0.015 25848 7569 1 20 . 1 1 52 52 GLU C C 52 178.254 178.254 176.472 1.782 25848 7570 1 20 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.622 2.608 25848 7571 1 20 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.190 -0.382 25848 7572 1 20 . 1 1 52 52 GLU H H 52 8.992 8.992 8.676 0.316 25848 7573 1 20 . 1 1 53 53 ARG N N 53 116.423 116.423 116.892 -0.469 25848 7574 1 20 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.544 0.020 25848 7575 1 20 . 1 1 53 53 ARG C C 53 177.327 177.327 175.343 1.984 25848 7576 1 20 . 1 1 53 53 ARG CA C 53 55.480 55.480 56.036 -0.556 25848 7577 1 20 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.195 -0.930 25848 7578 1 20 . 1 1 53 53 ARG H H 53 8.513 8.513 7.975 0.538 25848 7579 1 20 . 1 1 54 54 ASP N N 54 118.043 118.043 120.128 -2.085 25848 7580 1 20 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.798 0.017 25848 7581 1 20 . 1 1 54 54 ASP C C 54 176.941 176.941 175.325 1.616 25848 7582 1 20 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.784 -3.037 25848 7583 1 20 . 1 1 54 54 ASP H H 54 7.933 7.933 8.047 -0.114 25848 7584 1 20 . 1 1 55 55 CYS N N 55 118.999 118.999 118.295 0.704 25848 7585 1 20 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.164 0.813 25848 7586 1 20 . 1 1 55 55 CYS C C 55 175.757 175.757 175.357 0.400 25848 7587 1 20 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.975 -4.986 25848 7588 1 20 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.203 11.231 25848 7589 1 20 . 1 1 55 55 CYS H H 55 8.222 8.222 7.583 0.639 25848 7590 1 20 . 1 1 56 56 CYS N N 56 121.139 121.139 120.142 0.997 25848 7591 1 20 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.315 0.019 25848 7592 1 20 . 1 1 56 56 CYS C C 56 171.957 171.957 175.517 -3.560 25848 7593 1 20 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.806 -5.315 25848 7594 1 20 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.343 12.670 25848 7595 1 20 . 1 1 56 56 CYS H H 56 8.999 8.999 8.108 0.891 25848 7596 1 20 . 1 1 57 57 ALA N N 57 120.553 120.553 123.917 -3.364 25848 7597 1 20 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.220 -0.147 25848 7598 1 20 . 1 1 57 57 ALA C C 57 178.248 178.248 178.299 -0.051 25848 7599 1 20 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.007 0.757 25848 7600 1 20 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.764 -0.367 25848 7601 1 20 . 1 1 57 57 ALA H H 57 8.084 8.084 8.490 -0.406 25848 7602 1 20 . 1 1 58 58 GLY N N 58 110.247 110.247 111.608 -1.361 25848 7603 1 20 . 1 1 58 58 GLY C C 58 173.204 173.204 174.433 -1.229 25848 7604 1 20 . 1 1 58 58 GLY CA C 58 44.758 44.758 45.164 -0.406 25848 7605 1 20 . 1 1 58 58 GLY H H 58 8.713 8.713 8.685 0.028 25848 7606 1 20 . 1 1 59 59 LEU N N 59 120.155 120.155 121.744 -1.589 25848 7607 1 20 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.599 0.367 25848 7608 1 20 . 1 1 59 59 LEU C C 59 175.349 175.349 176.104 -0.755 25848 7609 1 20 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.662 -2.217 25848 7610 1 20 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.778 0.706 25848 7611 1 20 . 1 1 59 59 LEU H H 59 7.901 7.901 7.312 0.589 25848 7612 1 20 . 1 1 60 60 GLU N N 60 117.726 117.726 115.593 2.133 25848 7613 1 20 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.424 0.255 25848 7614 1 20 . 1 1 60 60 GLU C C 60 174.016 174.016 174.582 -0.566 25848 7615 1 20 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.090 0.505 25848 7616 1 20 . 1 1 60 60 GLU H H 60 9.145 9.145 8.080 1.065 25848 7617 1 20 . 1 1 61 61 CYS N N 61 122.299 122.299 123.110 -0.811 25848 7618 1 20 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.399 0.447 25848 7619 1 20 . 1 1 61 61 CYS C C 61 173.374 173.374 174.841 -1.467 25848 7620 1 20 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.338 14.136 25848 7621 1 20 . 1 1 61 61 CYS H H 61 9.064 9.064 9.043 0.021 25848 7622 1 20 . 1 1 62 62 TRP N N 62 135.668 135.668 130.462 5.206 25848 7623 1 20 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.605 0.293 25848 7624 1 20 . 1 1 62 62 TRP C C 62 174.430 174.430 174.827 -0.397 25848 7625 1 20 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.773 0.694 25848 7626 1 20 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.643 0.342 25848 7627 1 20 . 1 1 62 62 TRP H H 62 9.434 9.434 8.273 1.161 25848 7628 1 20 . 1 1 63 63 LYS N N 63 128.624 128.624 128.112 0.512 25848 7629 1 20 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.332 0.015 25848 7630 1 20 . 1 1 63 63 LYS C C 63 175.409 175.409 175.597 -0.188 25848 7631 1 20 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.232 0.389 25848 7632 1 20 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.316 0.203 25848 7633 1 20 . 1 1 63 63 LYS H H 63 8.392 8.392 8.579 -0.187 25848 7634 1 20 . 1 1 64 64 ARG N N 64 125.507 125.507 124.813 0.694 25848 7635 1 20 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.302 -0.367 25848 7636 1 20 . 1 1 64 64 ARG C C 64 175.704 175.704 174.604 1.100 25848 7637 1 20 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.460 0.394 25848 7638 1 20 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.029 0.467 25848 7639 1 20 . 1 1 64 64 ARG H H 64 7.877 7.877 7.999 -0.122 25848 7640 1 20 . 1 1 65 65 SER N N 65 115.709 115.709 117.563 -1.854 25848 7641 1 20 . 1 1 65 65 SER HA H 65 4.306 4.306 4.799 -0.493 25848 7642 1 20 . 1 1 65 65 SER C C 65 175.289 175.289 174.918 0.371 25848 7643 1 20 . 1 1 65 65 SER CA C 65 58.778 58.778 57.523 1.256 25848 7644 1 20 . 1 1 65 65 SER CB C 65 63.667 63.667 64.882 -1.215 25848 7645 1 20 . 1 1 65 65 SER H H 65 8.198 8.198 8.340 -0.142 25848 7646 1 20 . 1 1 66 66 GLY N N 66 110.671 110.671 113.743 -3.072 25848 7647 1 20 . 1 1 66 66 GLY C C 66 174.634 174.634 174.853 -0.219 25848 7648 1 20 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.062 1.018 25848 7649 1 20 . 1 1 66 66 GLY H H 66 8.675 8.675 8.630 0.045 25848 7650 1 20 . 1 1 67 67 ASN N N 67 118.608 118.608 117.541 1.067 25848 7651 1 20 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.800 -0.138 25848 7652 1 20 . 1 1 67 67 ASN C C 67 175.108 175.108 175.438 -0.330 25848 7653 1 20 . 1 1 67 67 ASN CA C 67 52.755 52.755 53.882 -1.127 25848 7654 1 20 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.621 -1.121 25848 7655 1 20 . 1 1 67 67 ASN H H 67 8.374 8.374 8.288 0.086 25848 7656 1 20 . 1 1 68 68 LYS N N 68 119.218 119.218 119.531 -0.313 25848 7657 1 20 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.534 -0.204 25848 7658 1 20 . 1 1 68 68 LYS C C 68 176.405 176.405 175.702 0.703 25848 7659 1 20 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.288 1.119 25848 7660 1 20 . 1 1 68 68 LYS CB C 68 33.907 33.907 33.937 -0.030 25848 7661 1 20 . 1 1 68 68 LYS H H 68 7.816 7.816 7.749 0.067 25848 7662 1 20 . 1 1 69 69 SER N N 69 115.165 115.165 115.528 -0.363 25848 7663 1 20 . 1 1 69 69 SER HA H 69 4.615 4.615 4.425 0.190 25848 7664 1 20 . 1 1 69 69 SER C C 69 174.381 174.381 174.189 0.192 25848 7665 1 20 . 1 1 69 69 SER CA C 69 57.773 57.773 58.167 -0.394 25848 7666 1 20 . 1 1 69 69 SER CB C 69 64.533 64.533 63.842 0.691 25848 7667 1 20 . 1 1 69 69 SER H H 69 8.176 8.176 8.276 -0.100 25848 7668 1 20 . 1 1 70 70 SER N N 70 121.583 121.583 117.163 4.420 25848 7669 1 20 . 1 1 70 70 SER HA H 70 5.011 5.011 4.358 0.653 25848 7670 1 20 . 1 1 70 70 SER C C 70 175.256 175.256 174.435 0.821 25848 7671 1 20 . 1 1 70 70 SER CA C 70 58.455 58.455 58.309 0.146 25848 7672 1 20 . 1 1 70 70 SER CB C 70 63.987 63.987 63.346 0.641 25848 7673 1 20 . 1 1 70 70 SER H H 70 9.539 9.539 8.322 1.217 25848 7674 1 20 . 1 1 71 71 VAL N N 71 115.977 115.977 119.245 -3.268 25848 7675 1 20 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.844 0.494 25848 7676 1 20 . 1 1 71 71 VAL C C 71 176.220 176.220 174.832 1.388 25848 7677 1 20 . 1 1 71 71 VAL CA C 71 58.655 58.655 58.579 0.076 25848 7678 1 20 . 1 1 71 71 VAL CB C 71 37.422 37.422 33.880 3.542 25848 7679 1 20 . 1 1 71 71 VAL H H 71 8.502 8.502 7.847 0.655 25848 7680 1 20 . 1 1 72 72 CYS N N 72 120.794 120.794 118.515 2.279 25848 7681 1 20 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.506 -0.481 25848 7682 1 20 . 1 1 72 72 CYS C C 72 174.142 174.142 174.461 -0.319 25848 7683 1 20 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.699 -3.234 25848 7684 1 20 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.347 9.111 25848 7685 1 20 . 1 1 72 72 CYS H H 72 8.557 8.557 8.088 0.469 25848 7686 1 20 . 1 1 73 73 ALA N N 73 130.318 130.318 125.569 4.749 25848 7687 1 20 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.768 -0.308 25848 7688 1 20 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.489 0.108 25848 7689 1 20 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.387 1.147 25848 7690 1 20 . 1 1 73 73 ALA H H 73 9.629 9.629 8.781 0.848 25848 7691 1 20 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.507 -0.007 25848 7692 1 20 . 1 1 74 74 PRO C C 74 176.504 176.504 176.600 -0.096 25848 7693 1 20 . 1 1 74 74 PRO CA C 74 63.219 63.219 61.938 1.281 25848 7694 1 20 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.240 -0.337 25848 7695 1 20 . 1 1 75 75 ILE N N 75 122.019 122.019 114.295 7.724 25848 7696 1 20 . 1 1 75 75 ILE HA H 75 3.944 3.944 3.943 0.001 25848 7697 1 20 . 1 1 75 75 ILE C C 75 175.793 175.793 175.832 -0.039 25848 7698 1 20 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.987 0.359 25848 7699 1 20 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.818 1.151 25848 7700 1 20 . 1 1 75 75 ILE H H 75 7.769 7.769 8.026 -0.257 25848 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 66 3.112 -0.114 3.134 25848 2 1 1 "Average Difference" HA 77 0.353 -0.015 0.355 25848 3 1 1 "Average Difference" C 63 1.101 0.216 1.089 25848 4 1 1 "Average Difference" CA 56 1.649 0.236 1.646 25848 5 1 1 "Average Difference" CB 66 5.674 -2.305 5.225 25848 6 1 1 "Average Difference" HN 67 0.631 -0.169 0.613 25848 7 1 2 "Average Difference" N 66 2.884 -0.083 2.905 25848 8 1 2 "Average Difference" HA 77 0.341 0.029 0.342 25848 9 1 2 "Average Difference" C 63 1.161 0.160 1.160 25848 10 1 2 "Average Difference" CA 56 1.709 0.247 1.707 25848 11 1 2 "Average Difference" CB 66 5.689 -2.296 5.245 25848 12 1 2 "Average Difference" HN 67 0.577 -0.134 0.565 25848 13 1 3 "Average Difference" N 66 3.039 -0.275 3.050 25848 14 1 3 "Average Difference" HA 77 0.349 -0.024 0.350 25848 15 1 3 "Average Difference" C 63 1.085 0.251 1.064 25848 16 1 3 "Average Difference" CA 56 1.622 0.278 1.612 25848 17 1 3 "Average Difference" CB 66 5.616 -2.329 5.149 25848 18 1 3 "Average Difference" HN 67 0.621 -0.182 0.598 25848 19 1 4 "Average Difference" N 66 2.951 -0.115 2.972 25848 20 1 4 "Average Difference" HA 77 0.357 -0.014 0.359 25848 21 1 4 "Average Difference" C 63 1.119 0.192 1.111 25848 22 1 4 "Average Difference" CA 56 1.655 0.261 1.649 25848 23 1 4 "Average Difference" CB 66 5.695 -2.263 5.266 25848 24 1 4 "Average Difference" HN 67 0.626 -0.161 0.610 25848 25 1 5 "Average Difference" N 66 3.296 -0.077 3.321 25848 26 1 5 "Average Difference" HA 77 0.349 -0.034 0.349 25848 27 1 5 "Average Difference" C 63 1.151 0.238 1.135 25848 28 1 5 "Average Difference" CA 56 1.651 0.216 1.652 25848 29 1 5 "Average Difference" CB 66 5.585 -2.322 5.118 25848 30 1 5 "Average Difference" HN 67 0.641 -0.173 0.622 25848 31 1 6 "Average Difference" N 66 3.021 -0.163 3.040 25848 32 1 6 "Average Difference" HA 77 0.358 -0.017 0.360 25848 33 1 6 "Average Difference" C 63 1.123 0.265 1.100 25848 34 1 6 "Average Difference" CA 56 1.641 0.214 1.642 25848 35 1 6 "Average Difference" CB 66 5.633 -2.326 5.170 25848 36 1 6 "Average Difference" HN 67 0.633 -0.167 0.615 25848 37 1 7 "Average Difference" N 66 2.926 -0.176 2.943 25848 38 1 7 "Average Difference" HA 77 0.349 -0.008 0.351 25848 39 1 7 "Average Difference" C 63 1.127 0.170 1.123 25848 40 1 7 "Average Difference" CA 56 1.603 0.213 1.603 25848 41 1 7 "Average Difference" CB 66 5.680 -2.261 5.250 25848 42 1 7 "Average Difference" HN 67 0.630 -0.138 0.619 25848 43 1 8 "Average Difference" N 66 3.123 -0.152 3.143 25848 44 1 8 "Average Difference" HA 77 0.358 -0.023 0.360 25848 45 1 8 "Average Difference" C 63 1.134 0.244 1.116 25848 46 1 8 "Average Difference" CA 56 1.689 0.242 1.686 25848 47 1 8 "Average Difference" CB 66 5.621 -2.291 5.172 25848 48 1 8 "Average Difference" HN 67 0.627 -0.182 0.605 25848 49 1 9 "Average Difference" N 66 2.979 -0.042 3.001 25848 50 1 9 "Average Difference" HA 77 0.377 0.005 0.379 25848 51 1 9 "Average Difference" C 63 1.116 0.179 1.110 25848 52 1 9 "Average Difference" CA 56 1.646 0.222 1.645 25848 53 1 9 "Average Difference" CB 66 5.680 -2.270 5.246 25848 54 1 9 "Average Difference" HN 67 0.605 -0.153 0.590 25848 55 1 10 "Average Difference" N 66 2.978 -0.274 2.988 25848 56 1 10 "Average Difference" HA 77 0.353 0.006 0.355 25848 57 1 10 "Average Difference" C 63 1.095 0.166 1.091 25848 58 1 10 "Average Difference" CA 56 1.654 0.212 1.655 25848 59 1 10 "Average Difference" CB 66 5.627 -2.271 5.188 25848 60 1 10 "Average Difference" HN 67 0.592 -0.183 0.567 25848 61 1 11 "Average Difference" N 66 3.083 -0.365 3.084 25848 62 1 11 "Average Difference" HA 77 0.356 -0.020 0.357 25848 63 1 11 "Average Difference" C 63 1.094 0.177 1.088 25848 64 1 11 "Average Difference" CA 56 1.664 0.203 1.667 25848 65 1 11 "Average Difference" CB 66 5.642 -2.363 5.162 25848 66 1 11 "Average Difference" HN 67 0.612 -0.169 0.592 25848 67 1 12 "Average Difference" N 66 3.135 -0.220 3.151 25848 68 1 12 "Average Difference" HA 77 0.353 0.004 0.355 25848 69 1 12 "Average Difference" C 63 1.144 0.222 1.131 25848 70 1 12 "Average Difference" CA 56 1.652 0.241 1.649 25848 71 1 12 "Average Difference" CB 66 5.618 -2.310 5.161 25848 72 1 12 "Average Difference" HN 67 0.633 -0.190 0.608 25848 73 1 13 "Average Difference" N 66 3.029 0.108 3.050 25848 74 1 13 "Average Difference" HA 77 0.359 -0.023 0.361 25848 75 1 13 "Average Difference" C 63 1.117 0.219 1.104 25848 76 1 13 "Average Difference" CA 56 1.702 0.294 1.692 25848 77 1 13 "Average Difference" CB 66 5.746 -2.364 5.277 25848 78 1 13 "Average Difference" HN 67 0.606 -0.162 0.589 25848 79 1 14 "Average Difference" N 66 3.057 -0.161 3.076 25848 80 1 14 "Average Difference" HA 77 0.342 -0.013 0.344 25848 81 1 14 "Average Difference" C 63 1.123 0.199 1.114 25848 82 1 14 "Average Difference" CA 56 1.626 0.208 1.627 25848 83 1 14 "Average Difference" CB 66 5.702 -2.345 5.237 25848 84 1 14 "Average Difference" HN 67 0.632 -0.185 0.608 25848 85 1 15 "Average Difference" N 66 3.033 -0.049 3.056 25848 86 1 15 "Average Difference" HA 77 0.369 -0.029 0.370 25848 87 1 15 "Average Difference" C 63 1.095 0.188 1.088 25848 88 1 15 "Average Difference" CA 56 1.648 0.123 1.659 25848 89 1 15 "Average Difference" CB 66 5.735 -2.341 5.275 25848 90 1 15 "Average Difference" HN 67 0.645 -0.190 0.621 25848 91 1 16 "Average Difference" N 66 3.045 -0.094 3.067 25848 92 1 16 "Average Difference" HA 77 0.334 -0.027 0.335 25848 93 1 16 "Average Difference" C 63 1.122 0.203 1.112 25848 94 1 16 "Average Difference" CA 56 1.618 0.203 1.620 25848 95 1 16 "Average Difference" CB 66 5.686 -2.337 5.224 25848 96 1 16 "Average Difference" HN 67 0.614 -0.169 0.595 25848 97 1 17 "Average Difference" N 66 3.035 -0.119 3.056 25848 98 1 17 "Average Difference" HA 77 0.345 -0.015 0.347 25848 99 1 17 "Average Difference" C 63 1.125 0.204 1.115 25848 100 1 17 "Average Difference" CA 56 1.633 0.237 1.631 25848 101 1 17 "Average Difference" CB 66 5.680 -2.303 5.231 25848 102 1 17 "Average Difference" HN 67 0.623 -0.173 0.603 25848 103 1 18 "Average Difference" N 66 3.160 -0.126 3.182 25848 104 1 18 "Average Difference" HA 77 0.353 -0.020 0.354 25848 105 1 18 "Average Difference" C 63 1.151 0.310 1.117 25848 106 1 18 "Average Difference" CA 56 1.686 0.254 1.682 25848 107 1 18 "Average Difference" CB 66 5.732 -2.336 5.274 25848 108 1 18 "Average Difference" HN 67 0.632 -0.164 0.615 25848 109 1 19 "Average Difference" N 66 2.784 -0.215 2.797 25848 110 1 19 "Average Difference" HA 77 0.349 -0.022 0.351 25848 111 1 19 "Average Difference" C 63 1.146 0.163 1.143 25848 112 1 19 "Average Difference" CA 56 1.682 0.225 1.682 25848 113 1 19 "Average Difference" CB 66 5.710 -2.309 5.262 25848 114 1 19 "Average Difference" HN 67 0.609 -0.192 0.582 25848 115 1 20 "Average Difference" N 66 2.975 -0.138 2.994 25848 116 1 20 "Average Difference" HA 77 0.348 -0.012 0.350 25848 117 1 20 "Average Difference" C 63 1.109 0.167 1.105 25848 118 1 20 "Average Difference" CA 56 1.636 0.167 1.643 25848 119 1 20 "Average Difference" CB 66 5.722 -2.366 5.250 25848 120 1 20 "Average Difference" HN 67 0.607 -0.174 0.586 25848 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 25848 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASN HA H 2 4.711 4.711 4.920 -0.209 25848 2 1 . 1 1 2 2 ASN C C 2 174.785 174.785 174.499 0.286 25848 3 1 . 1 1 2 2 ASN CB C 2 38.820 38.820 39.493 -0.673 25848 4 1 . 1 1 3 3 GLU N N 3 121.744 121.744 121.245 0.499 25848 5 1 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.460 -0.112 25848 6 1 . 1 1 3 3 GLU C C 3 176.060 176.060 175.980 0.080 25848 7 1 . 1 1 3 3 GLU CA C 3 56.267 56.267 56.262 0.005 25848 8 1 . 1 1 3 3 GLU CB C 3 30.187 30.187 30.681 -0.494 25848 9 1 . 1 1 3 3 GLU H H 3 8.470 8.470 8.604 -0.134 25848 10 1 . 1 1 4 4 CYS N N 4 119.765 119.765 116.391 3.374 25848 11 1 . 1 1 4 4 CYS HA H 4 4.797 4.797 4.745 0.052 25848 12 1 . 1 1 4 4 CYS C C 4 173.263 173.263 174.921 -1.658 25848 13 1 . 1 1 4 4 CYS CB C 4 42.301 42.301 29.882 12.419 25848 14 1 . 1 1 4 4 CYS H H 4 8.317 8.317 8.448 -0.131 25848 15 1 . 1 1 5 5 ILE N N 5 122.940 122.940 122.935 0.005 25848 16 1 . 1 1 5 5 ILE HA H 5 3.888 3.888 4.054 -0.166 25848 17 1 . 1 1 5 5 ILE C C 5 173.890 173.890 175.924 -2.034 25848 18 1 . 1 1 5 5 ILE CA C 5 62.516 62.516 61.956 0.560 25848 19 1 . 1 1 5 5 ILE CB C 5 39.280 39.280 38.407 0.873 25848 20 1 . 1 1 5 5 ILE H H 5 8.912 8.912 8.124 0.788 25848 21 1 . 1 1 6 6 ARG N N 6 125.981 125.981 126.983 -1.002 25848 22 1 . 1 1 6 6 ARG HA H 6 3.862 3.862 4.176 -0.314 25848 23 1 . 1 1 6 6 ARG C C 6 174.259 174.259 175.994 -1.735 25848 24 1 . 1 1 6 6 ARG CA C 6 56.018 56.018 56.299 -0.281 25848 25 1 . 1 1 6 6 ARG CB C 6 31.777 31.777 30.653 1.124 25848 26 1 . 1 1 6 6 ARG H H 6 7.528 7.528 8.369 -0.842 25848 27 1 . 1 1 7 7 LYS N N 7 116.267 116.267 122.228 -5.961 25848 28 1 . 1 1 7 7 LYS HA H 7 3.286 3.286 3.962 -0.676 25848 29 1 . 1 1 7 7 LYS C C 7 175.417 175.417 176.767 -1.350 25848 30 1 . 1 1 7 7 LYS CA C 7 58.323 58.323 57.270 1.053 25848 31 1 . 1 1 7 7 LYS CB C 7 32.671 32.671 32.839 -0.168 25848 32 1 . 1 1 7 7 LYS H H 7 7.558 7.558 8.352 -0.794 25848 33 1 . 1 1 8 8 TRP N N 8 115.300 115.300 122.647 -7.347 25848 34 1 . 1 1 8 8 TRP HA H 8 4.260 4.260 4.341 -0.081 25848 35 1 . 1 1 8 8 TRP C C 8 175.069 175.069 175.488 -0.419 25848 36 1 . 1 1 8 8 TRP CA C 8 58.008 58.008 58.153 -0.145 25848 37 1 . 1 1 8 8 TRP CB C 8 27.687 27.687 26.890 0.797 25848 38 1 . 1 1 8 8 TRP H H 8 9.357 9.357 8.250 1.107 25848 39 1 . 1 1 9 9 LEU N N 9 120.240 120.240 120.016 0.224 25848 40 1 . 1 1 9 9 LEU HA H 9 4.697 4.697 4.719 -0.022 25848 41 1 . 1 1 9 9 LEU C C 9 176.636 176.636 176.048 0.588 25848 42 1 . 1 1 9 9 LEU CB C 9 42.248 42.248 44.272 -2.024 25848 43 1 . 1 1 9 9 LEU H H 9 7.701 7.701 7.959 -0.258 25848 44 1 . 1 1 10 10 SER N N 10 110.077 110.077 110.749 -0.672 25848 45 1 . 1 1 10 10 SER HA H 10 4.704 4.704 4.795 -0.091 25848 46 1 . 1 1 10 10 SER CB C 10 64.064 64.064 63.890 0.174 25848 47 1 . 1 1 10 10 SER H H 10 8.148 8.148 8.075 0.073 25848 48 1 . 1 1 11 11 CYS N N 11 121.141 121.141 123.377 -2.236 25848 49 1 . 1 1 11 11 CYS HA H 11 4.870 4.870 4.811 0.059 25848 50 1 . 1 1 11 11 CYS CB C 11 44.031 44.031 27.790 16.241 25848 51 1 . 1 1 11 11 CYS H H 11 8.580 8.580 8.883 -0.303 25848 52 1 . 1 1 12 12 VAL HA H 12 3.565 3.565 3.780 -0.215 25848 53 1 . 1 1 12 12 VAL CA C 12 65.197 65.197 65.199 -0.002 25848 54 1 . 1 1 12 12 VAL H H 12 7.776 7.776 7.834 -0.058 25848 55 1 . 1 1 15 15 LYS N N 15 117.195 117.195 122.331 -5.136 25848 56 1 . 1 1 15 15 LYS HA H 15 4.359 4.359 4.106 0.253 25848 57 1 . 1 1 15 15 LYS C C 15 177.505 177.505 177.502 0.003 25848 58 1 . 1 1 15 15 LYS CA C 15 59.442 59.442 58.300 1.142 25848 59 1 . 1 1 15 15 LYS CB C 15 32.571 32.571 32.278 0.293 25848 60 1 . 1 1 15 15 LYS H H 15 7.936 7.936 8.530 -0.594 25848 61 1 . 1 1 16 16 ASN N N 16 115.005 115.005 117.048 -2.043 25848 62 1 . 1 1 16 16 ASN HA H 16 5.075 5.075 4.603 0.472 25848 63 1 . 1 1 16 16 ASN C C 16 176.707 176.707 175.095 1.612 25848 64 1 . 1 1 16 16 ASN CA C 16 53.010 53.010 54.722 -1.712 25848 65 1 . 1 1 16 16 ASN CB C 16 39.169 39.169 38.231 0.938 25848 66 1 . 1 1 16 16 ASN H H 16 8.644 8.644 8.459 0.185 25848 67 1 . 1 1 17 17 ASP N N 17 118.040 118.040 118.655 -0.615 25848 68 1 . 1 1 17 17 ASP HA H 17 4.863 4.863 4.847 0.016 25848 69 1 . 1 1 17 17 ASP C C 17 176.756 176.756 175.894 0.862 25848 70 1 . 1 1 17 17 ASP CB C 17 41.010 41.010 40.526 0.484 25848 71 1 . 1 1 17 17 ASP H H 17 7.592 7.592 7.897 -0.305 25848 72 1 . 1 1 18 18 CYS N N 18 119.499 119.499 117.800 1.699 25848 73 1 . 1 1 18 18 CYS HA H 18 4.900 4.900 4.225 0.675 25848 74 1 . 1 1 18 18 CYS C C 18 176.186 176.186 174.572 1.614 25848 75 1 . 1 1 18 18 CYS CB C 18 38.887 38.887 27.508 11.379 25848 76 1 . 1 1 18 18 CYS H H 18 8.729 8.729 7.832 0.897 25848 77 1 . 1 1 19 19 CYS N N 19 120.655 120.655 112.738 7.917 25848 78 1 . 1 1 19 19 CYS HA H 19 4.415 4.415 4.382 0.033 25848 79 1 . 1 1 19 19 CYS C C 19 171.719 171.719 172.773 -1.054 25848 80 1 . 1 1 19 19 CYS CA C 19 54.569 54.569 58.108 -3.539 25848 81 1 . 1 1 19 19 CYS CB C 19 40.917 40.917 29.677 11.240 25848 82 1 . 1 1 19 19 CYS H H 19 9.086 9.086 8.127 0.959 25848 83 1 . 1 1 20 20 GLU N N 20 118.445 118.445 123.052 -4.607 25848 84 1 . 1 1 20 20 GLU HA H 20 3.931 3.931 4.306 -0.375 25848 85 1 . 1 1 20 20 GLU C C 20 176.509 176.509 176.605 -0.096 25848 86 1 . 1 1 20 20 GLU CA C 20 57.820 57.820 56.872 0.948 25848 87 1 . 1 1 20 20 GLU CB C 20 29.903 29.903 29.720 0.183 25848 88 1 . 1 1 20 20 GLU H H 20 8.155 8.155 8.847 -0.692 25848 89 1 . 1 1 21 21 GLY N N 21 113.662 113.662 113.104 0.558 25848 90 1 . 1 1 21 21 GLY C C 21 172.614 172.614 172.769 -0.155 25848 91 1 . 1 1 21 21 GLY CA C 21 43.531 43.531 44.221 -0.690 25848 92 1 . 1 1 21 21 GLY H H 21 8.719 8.719 8.517 0.202 25848 93 1 . 1 1 22 22 LEU N N 22 120.372 120.372 118.754 1.618 25848 94 1 . 1 1 22 22 LEU HA H 22 5.081 5.081 5.148 -0.067 25848 95 1 . 1 1 22 22 LEU C C 22 174.927 174.927 175.741 -0.814 25848 96 1 . 1 1 22 22 LEU CA C 22 52.450 52.450 53.034 -0.584 25848 97 1 . 1 1 22 22 LEU CB C 22 44.511 44.511 45.732 -1.221 25848 98 1 . 1 1 22 22 LEU H H 22 7.641 7.641 7.121 0.520 25848 99 1 . 1 1 23 23 GLU N N 23 117.193 117.193 118.455 -1.262 25848 100 1 . 1 1 23 23 GLU HA H 23 4.708 4.708 4.651 0.057 25848 101 1 . 1 1 23 23 GLU C C 23 173.821 173.821 174.672 -0.851 25848 102 1 . 1 1 23 23 GLU CA C 23 53.332 53.332 54.405 -1.073 25848 103 1 . 1 1 23 23 GLU CB C 23 32.486 32.486 33.915 -1.429 25848 104 1 . 1 1 23 23 GLU H H 23 9.299 9.299 8.637 0.662 25848 105 1 . 1 1 24 24 CYS N N 24 123.260 123.260 122.164 1.096 25848 106 1 . 1 1 24 24 CYS HA H 24 4.801 4.801 4.497 0.304 25848 107 1 . 1 1 24 24 CYS CB C 24 40.295 40.295 26.304 13.991 25848 108 1 . 1 1 24 24 CYS H H 24 8.953 8.953 8.737 0.216 25848 109 1 . 1 1 25 25 TYR N N 25 134.523 134.523 128.770 5.753 25848 110 1 . 1 1 25 25 TYR HA H 25 4.813 4.813 4.667 0.146 25848 111 1 . 1 1 25 25 TYR C C 25 173.768 173.768 174.226 -0.458 25848 112 1 . 1 1 25 25 TYR CB C 25 43.346 43.346 41.612 1.734 25848 113 1 . 1 1 25 25 TYR H H 25 9.338 9.338 8.383 0.955 25848 114 1 . 1 1 26 26 LYS N N 26 127.496 127.496 123.347 4.149 25848 115 1 . 1 1 26 26 LYS HA H 26 4.096 4.096 4.369 -0.273 25848 116 1 . 1 1 26 26 LYS C C 26 174.360 174.360 175.343 -0.983 25848 117 1 . 1 1 26 26 LYS CA C 26 55.938 55.938 55.174 0.764 25848 118 1 . 1 1 26 26 LYS CB C 26 32.667 32.667 33.296 -0.629 25848 119 1 . 1 1 26 26 LYS H H 26 8.176 8.176 7.591 0.585 25848 120 1 . 1 1 27 27 ARG N N 27 125.899 125.899 124.031 1.868 25848 121 1 . 1 1 27 27 ARG HA H 27 4.225 4.225 4.500 -0.275 25848 122 1 . 1 1 27 27 ARG C C 27 174.385 174.385 176.066 -1.681 25848 123 1 . 1 1 27 27 ARG CA C 27 55.989 55.989 55.185 0.804 25848 124 1 . 1 1 27 27 ARG CB C 27 32.009 32.009 31.689 0.320 25848 125 1 . 1 1 27 27 ARG H H 27 7.493 7.493 8.476 -0.982 25848 126 1 . 1 1 28 28 ARG N N 28 121.214 121.214 121.535 -0.321 25848 127 1 . 1 1 28 28 ARG HA H 28 3.912 3.912 4.268 -0.356 25848 128 1 . 1 1 28 28 ARG C C 28 176.613 176.613 177.099 -0.486 25848 129 1 . 1 1 28 28 ARG CA C 28 57.614 57.614 57.642 -0.028 25848 130 1 . 1 1 28 28 ARG CB C 28 29.675 29.675 30.426 -0.752 25848 131 1 . 1 1 28 28 ARG H H 28 8.519 8.519 8.639 -0.120 25848 132 1 . 1 1 29 29 HIS N N 29 116.413 116.413 116.444 -0.031 25848 133 1 . 1 1 29 29 HIS HA H 29 4.480 4.480 4.722 -0.242 25848 134 1 . 1 1 29 29 HIS C C 29 174.166 174.166 174.739 -0.573 25848 135 1 . 1 1 29 29 HIS CA C 29 56.020 56.020 56.241 -0.221 25848 136 1 . 1 1 29 29 HIS CB C 29 28.134 28.134 30.354 -2.220 25848 137 1 . 1 1 29 29 HIS H H 29 8.771 8.771 8.173 0.598 25848 138 1 . 1 1 30 30 SER N N 30 113.403 113.403 115.681 -2.278 25848 139 1 . 1 1 30 30 SER HA H 30 4.469 4.469 4.588 -0.119 25848 140 1 . 1 1 30 30 SER C C 30 173.332 173.332 173.648 -0.316 25848 141 1 . 1 1 30 30 SER CA C 30 57.257 57.257 57.588 -0.331 25848 142 1 . 1 1 30 30 SER CB C 30 63.559 63.559 64.399 -0.840 25848 143 1 . 1 1 30 30 SER H H 30 7.826 7.826 7.817 0.009 25848 144 1 . 1 1 31 31 PHE N N 31 118.662 118.662 120.595 -1.933 25848 145 1 . 1 1 31 31 PHE HA H 31 4.793 4.793 4.572 0.221 25848 146 1 . 1 1 31 31 PHE CB C 31 40.312 40.312 39.559 0.753 25848 147 1 . 1 1 31 31 PHE H H 31 7.801 7.801 8.250 -0.449 25848 148 1 . 1 1 32 32 GLU HA H 32 4.610 4.610 4.418 0.192 25848 149 1 . 1 1 32 32 GLU CB C 32 30.289 30.289 30.274 0.015 25848 150 1 . 1 1 33 33 VAL N N 33 121.027 121.027 116.667 4.360 25848 151 1 . 1 1 33 33 VAL HA H 33 5.101 5.101 4.630 0.471 25848 152 1 . 1 1 33 33 VAL C C 33 175.754 175.754 174.940 0.814 25848 153 1 . 1 1 33 33 VAL CA C 33 58.545 58.545 59.669 -1.124 25848 154 1 . 1 1 33 33 VAL CB C 33 37.464 37.464 35.485 1.979 25848 155 1 . 1 1 33 33 VAL H H 33 8.581 8.581 8.087 0.494 25848 156 1 . 1 1 34 34 CYS N N 34 119.365 119.365 120.127 -0.762 25848 157 1 . 1 1 34 34 CYS HA H 34 5.064 5.064 4.773 0.291 25848 158 1 . 1 1 34 34 CYS C C 34 174.853 174.853 174.960 -0.107 25848 159 1 . 1 1 34 34 CYS CA C 34 54.695 54.695 59.911 -5.216 25848 160 1 . 1 1 34 34 CYS CB C 34 39.974 39.974 25.618 14.356 25848 161 1 . 1 1 34 34 CYS H H 34 7.968 7.968 8.721 -0.753 25848 162 1 . 1 1 35 35 VAL N N 35 122.141 122.141 117.095 5.046 25848 163 1 . 1 1 35 35 VAL HA H 35 4.468 4.468 4.119 0.349 25848 164 1 . 1 1 35 35 VAL CA C 35 58.030 58.030 57.748 0.282 25848 165 1 . 1 1 35 35 VAL CB C 35 33.216 33.216 33.427 -0.211 25848 166 1 . 1 1 35 35 VAL H H 35 9.611 9.611 8.789 0.822 25848 167 1 . 1 1 36 36 PRO HA H 36 4.398 4.398 4.601 -0.203 25848 168 1 . 1 1 36 36 PRO C C 36 176.509 176.509 176.644 -0.135 25848 169 1 . 1 1 36 36 PRO CA C 36 63.320 63.320 62.322 0.998 25848 170 1 . 1 1 36 36 PRO CB C 36 32.112 32.112 31.868 0.244 25848 171 1 . 1 1 37 37 ILE N N 37 125.294 125.294 126.135 -0.841 25848 172 1 . 1 1 37 37 ILE HA H 37 4.131 4.131 4.397 -0.266 25848 173 1 . 1 1 37 37 ILE CA C 37 59.790 59.790 59.100 0.690 25848 174 1 . 1 1 37 37 ILE CB C 37 39.566 39.566 38.079 1.487 25848 175 1 . 1 1 37 37 ILE H H 37 7.927 7.927 7.919 0.008 25848 176 1 . 1 1 38 38 PRO HA H 38 4.337 4.337 4.527 -0.190 25848 177 1 . 1 1 38 38 PRO C C 38 177.800 177.800 177.610 0.190 25848 178 1 . 1 1 38 38 PRO CA C 38 64.094 64.094 63.572 0.522 25848 179 1 . 1 1 38 38 PRO CB C 38 31.731 31.731 31.846 -0.115 25848 180 1 . 1 1 39 39 GLY N N 39 112.745 112.745 112.579 0.166 25848 181 1 . 1 1 39 39 GLY C C 39 174.463 174.463 174.676 -0.213 25848 182 1 . 1 1 39 39 GLY CA C 39 45.463 45.463 45.097 0.366 25848 183 1 . 1 1 39 39 GLY H H 39 8.843 8.843 8.555 0.288 25848 184 1 . 1 1 40 40 PHE N N 40 120.803 120.803 120.414 0.389 25848 185 1 . 1 1 40 40 PHE HA H 40 4.321 4.321 4.454 -0.133 25848 186 1 . 1 1 40 40 PHE C C 40 174.706 174.706 174.740 -0.034 25848 187 1 . 1 1 40 40 PHE CA C 40 59.668 59.668 59.176 0.492 25848 188 1 . 1 1 40 40 PHE CB C 40 39.815 39.815 39.997 -0.182 25848 189 1 . 1 1 40 40 PHE H H 40 7.762 7.762 7.582 0.180 25848 190 1 . 1 1 41 41 CYS N N 41 120.807 120.807 121.568 -0.761 25848 191 1 . 1 1 41 41 CYS HA H 41 4.574 4.574 4.607 -0.033 25848 192 1 . 1 1 41 41 CYS C C 41 171.732 171.732 171.842 -0.110 25848 193 1 . 1 1 41 41 CYS CA C 41 53.666 53.666 55.466 -1.800 25848 194 1 . 1 1 41 41 CYS CB C 41 44.109 44.109 30.586 13.523 25848 195 1 . 1 1 41 41 CYS H H 41 7.040 7.040 7.383 -0.343 25848 196 1 . 1 1 42 42 LEU N N 42 119.987 119.987 119.736 0.251 25848 197 1 . 1 1 42 42 LEU HA H 42 4.272 4.272 4.810 -0.538 25848 198 1 . 1 1 42 42 LEU C C 42 173.872 173.872 176.133 -2.261 25848 199 1 . 1 1 42 42 LEU CA C 42 54.003 54.003 53.342 0.661 25848 200 1 . 1 1 42 42 LEU CB C 42 43.826 43.826 44.819 -0.993 25848 201 1 . 1 1 42 42 LEU H H 42 8.728 8.728 8.134 0.594 25848 202 1 . 1 1 43 43 VAL N N 43 115.632 115.632 115.770 -0.138 25848 203 1 . 1 1 43 43 VAL HA H 43 3.808 3.808 4.419 -0.611 25848 204 1 . 1 1 43 43 VAL C C 43 173.751 173.751 175.984 -2.233 25848 205 1 . 1 1 43 43 VAL CA C 43 60.258 60.258 60.462 -0.204 25848 206 1 . 1 1 43 43 VAL CB C 43 32.857 32.857 34.008 -1.151 25848 207 1 . 1 1 43 43 VAL H H 43 7.192 7.192 8.132 -0.940 25848 208 1 . 1 1 44 44 LYS N N 44 117.023 117.023 116.986 0.037 25848 209 1 . 1 1 44 44 LYS HA H 44 3.230 3.230 4.134 -0.904 25848 210 1 . 1 1 44 44 LYS C C 44 176.385 176.385 175.351 1.034 25848 211 1 . 1 1 44 44 LYS CA C 44 58.773 58.773 58.016 0.757 25848 212 1 . 1 1 44 44 LYS CB C 44 32.031 32.031 31.806 0.225 25848 213 1 . 1 1 44 44 LYS H H 44 7.531 7.531 8.606 -1.075 25848 214 1 . 1 1 45 45 TRP N N 45 117.377 117.377 118.292 -0.915 25848 215 1 . 1 1 45 45 TRP HA H 45 4.447 4.447 4.799 -0.352 25848 216 1 . 1 1 45 45 TRP C C 45 175.675 175.675 175.216 0.459 25848 217 1 . 1 1 45 45 TRP CA C 45 58.021 58.021 56.222 1.799 25848 218 1 . 1 1 45 45 TRP CB C 45 27.995 27.995 30.498 -2.503 25848 219 1 . 1 1 45 45 TRP H H 45 9.364 9.364 7.613 1.751 25848 220 1 . 1 1 46 46 LYS N N 46 119.913 119.913 119.856 0.057 25848 221 1 . 1 1 46 46 LYS HA H 46 4.390 4.390 4.769 -0.379 25848 222 1 . 1 1 46 46 LYS C C 46 176.776 176.776 175.868 0.908 25848 223 1 . 1 1 46 46 LYS CA C 46 55.161 55.161 54.682 0.479 25848 224 1 . 1 1 46 46 LYS CB C 46 33.666 33.666 35.244 -1.578 25848 225 1 . 1 1 46 46 LYS H H 46 7.985 7.985 7.447 0.538 25848 226 1 . 1 1 47 47 GLN N N 47 121.031 121.031 120.250 0.781 25848 227 1 . 1 1 47 47 GLN HA H 47 4.879 4.879 4.356 0.523 25848 228 1 . 1 1 47 47 GLN C C 47 177.118 177.118 176.786 0.332 25848 229 1 . 1 1 47 47 GLN CB C 47 28.555 28.555 28.987 -0.432 25848 230 1 . 1 1 47 47 GLN H H 47 8.623 8.623 8.758 -0.135 25848 231 1 . 1 1 48 48 CYS N N 48 115.456 115.456 120.377 -4.921 25848 232 1 . 1 1 48 48 CYS HA H 48 4.756 4.756 4.712 0.044 25848 233 1 . 1 1 48 48 CYS C C 48 173.978 173.978 175.498 -1.520 25848 234 1 . 1 1 48 48 CYS CB C 48 43.989 43.989 29.102 14.887 25848 235 1 . 1 1 48 48 CYS H H 48 8.365 8.365 8.498 -0.133 25848 236 1 . 1 1 49 49 ASP N N 49 123.208 123.208 123.820 -0.612 25848 237 1 . 1 1 49 49 ASP HA H 49 4.448 4.448 4.391 0.057 25848 238 1 . 1 1 49 49 ASP C C 49 177.773 177.773 177.402 0.371 25848 239 1 . 1 1 49 49 ASP CA C 49 56.988 56.988 56.390 0.598 25848 240 1 . 1 1 49 49 ASP CB C 49 41.080 41.080 40.755 0.325 25848 241 1 . 1 1 49 49 ASP H H 49 7.839 7.839 7.641 0.198 25848 242 1 . 1 1 50 50 GLY N N 50 115.583 115.583 115.303 0.280 25848 243 1 . 1 1 50 50 GLY C C 50 173.522 173.522 175.127 -1.605 25848 244 1 . 1 1 50 50 GLY CA C 50 46.284 46.284 45.684 0.600 25848 245 1 . 1 1 50 50 GLY H H 50 9.371 9.371 8.957 0.414 25848 246 1 . 1 1 51 51 ARG N N 51 122.794 122.794 122.034 0.760 25848 247 1 . 1 1 51 51 ARG HA H 51 4.658 4.658 4.638 0.021 25848 248 1 . 1 1 51 51 ARG C C 51 176.977 176.977 176.808 0.169 25848 249 1 . 1 1 51 51 ARG CA C 51 54.752 54.752 54.544 0.208 25848 250 1 . 1 1 51 51 ARG CB C 51 31.083 31.083 29.706 1.377 25848 251 1 . 1 1 51 51 ARG H H 51 8.199 8.199 8.004 0.195 25848 252 1 . 1 1 52 52 GLU N N 52 117.957 117.957 118.479 -0.522 25848 253 1 . 1 1 52 52 GLU HA H 52 4.074 4.074 4.103 -0.029 25848 254 1 . 1 1 52 52 GLU C C 52 178.254 178.254 176.459 1.795 25848 255 1 . 1 1 52 52 GLU CA C 52 61.230 61.230 58.624 2.606 25848 256 1 . 1 1 52 52 GLU CB C 52 28.808 28.808 29.139 -0.331 25848 257 1 . 1 1 52 52 GLU H H 52 8.992 8.992 8.641 0.351 25848 258 1 . 1 1 53 53 ARG N N 53 116.423 116.423 116.455 -0.032 25848 259 1 . 1 1 53 53 ARG HA H 53 4.564 4.564 4.550 0.014 25848 260 1 . 1 1 53 53 ARG C C 53 177.327 177.327 175.411 1.916 25848 261 1 . 1 1 53 53 ARG CA C 53 55.480 55.480 55.985 -0.505 25848 262 1 . 1 1 53 53 ARG CB C 53 29.265 29.265 30.138 -0.873 25848 263 1 . 1 1 53 53 ARG H H 53 8.513 8.513 7.920 0.593 25848 264 1 . 1 1 54 54 ASP N N 54 118.043 118.043 120.250 -2.207 25848 265 1 . 1 1 54 54 ASP HA H 54 4.815 4.815 4.794 0.021 25848 266 1 . 1 1 54 54 ASP C C 54 176.941 176.941 175.349 1.592 25848 267 1 . 1 1 54 54 ASP CB C 54 40.747 40.747 43.448 -2.701 25848 268 1 . 1 1 54 54 ASP H H 54 7.933 7.933 7.993 -0.060 25848 269 1 . 1 1 55 55 CYS N N 55 118.999 118.999 118.260 0.739 25848 270 1 . 1 1 55 55 CYS HA H 55 4.977 4.977 4.171 0.806 25848 271 1 . 1 1 55 55 CYS C C 55 175.757 175.757 175.494 0.263 25848 272 1 . 1 1 55 55 CYS CA C 55 55.989 55.989 60.849 -4.860 25848 273 1 . 1 1 55 55 CYS CB C 55 38.434 38.434 27.278 11.156 25848 274 1 . 1 1 55 55 CYS H H 55 8.222 8.222 7.574 0.648 25848 275 1 . 1 1 56 56 CYS N N 56 121.139 121.139 120.067 1.072 25848 276 1 . 1 1 56 56 CYS HA H 56 4.334 4.334 4.317 0.017 25848 277 1 . 1 1 56 56 CYS C C 56 171.957 171.957 175.568 -3.611 25848 278 1 . 1 1 56 56 CYS CA C 56 54.491 54.491 59.833 -5.342 25848 279 1 . 1 1 56 56 CYS CB C 56 41.013 41.013 28.327 12.686 25848 280 1 . 1 1 56 56 CYS H H 56 8.999 8.999 8.100 0.899 25848 281 1 . 1 1 57 57 ALA N N 57 120.553 120.553 124.413 -3.860 25848 282 1 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.150 -0.077 25848 283 1 . 1 1 57 57 ALA C C 57 178.248 178.248 178.296 -0.048 25848 284 1 . 1 1 57 57 ALA CA C 57 53.764 53.764 53.172 0.592 25848 285 1 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.477 -0.080 25848 286 1 . 1 1 57 57 ALA H H 57 8.084 8.084 8.530 -0.445 25848 287 1 . 1 1 58 58 GLY N N 58 110.247 110.247 111.641 -1.394 25848 288 1 . 1 1 58 58 GLY C C 58 173.204 173.204 174.046 -0.842 25848 289 1 . 1 1 58 58 GLY CA C 58 44.758 44.758 44.861 -0.103 25848 290 1 . 1 1 58 58 GLY H H 58 8.713 8.713 8.604 0.109 25848 291 1 . 1 1 59 59 LEU N N 59 120.155 120.155 121.535 -1.380 25848 292 1 . 1 1 59 59 LEU HA H 59 4.966 4.966 4.579 0.387 25848 293 1 . 1 1 59 59 LEU C C 59 175.349 175.349 176.043 -0.694 25848 294 1 . 1 1 59 59 LEU CA C 59 52.445 52.445 54.680 -2.235 25848 295 1 . 1 1 59 59 LEU CB C 59 44.484 44.484 43.555 0.929 25848 296 1 . 1 1 59 59 LEU H H 59 7.901 7.901 7.353 0.548 25848 297 1 . 1 1 60 60 GLU N N 60 117.726 117.726 114.757 2.969 25848 298 1 . 1 1 60 60 GLU HA H 60 4.679 4.679 4.477 0.202 25848 299 1 . 1 1 60 60 GLU C C 60 174.016 174.016 174.617 -0.601 25848 300 1 . 1 1 60 60 GLU CB C 60 32.595 32.595 32.164 0.431 25848 301 1 . 1 1 60 60 GLU H H 60 9.145 9.145 8.109 1.036 25848 302 1 . 1 1 61 61 CYS N N 61 122.299 122.299 122.571 -0.272 25848 303 1 . 1 1 61 61 CYS HA H 61 4.846 4.846 4.443 0.403 25848 304 1 . 1 1 61 61 CYS C C 61 173.374 173.374 174.868 -1.494 25848 305 1 . 1 1 61 61 CYS CB C 61 39.474 39.474 25.415 14.059 25848 306 1 . 1 1 61 61 CYS H H 61 9.064 9.064 8.989 0.075 25848 307 1 . 1 1 62 62 TRP N N 62 135.668 135.668 130.842 4.826 25848 308 1 . 1 1 62 62 TRP HA H 62 4.898 4.898 4.607 0.291 25848 309 1 . 1 1 62 62 TRP C C 62 174.430 174.430 174.788 -0.358 25848 310 1 . 1 1 62 62 TRP CA C 62 56.466 56.466 55.470 0.996 25848 311 1 . 1 1 62 62 TRP CB C 62 30.985 30.985 30.854 0.131 25848 312 1 . 1 1 62 62 TRP H H 62 9.434 9.434 8.482 0.952 25848 313 1 . 1 1 63 63 LYS N N 63 128.624 128.624 128.143 0.481 25848 314 1 . 1 1 63 63 LYS HA H 63 4.347 4.347 4.374 -0.027 25848 315 1 . 1 1 63 63 LYS C C 63 175.409 175.409 175.606 -0.197 25848 316 1 . 1 1 63 63 LYS CA C 63 55.621 55.621 55.125 0.496 25848 317 1 . 1 1 63 63 LYS CB C 63 32.518 32.518 32.391 0.127 25848 318 1 . 1 1 63 63 LYS H H 63 8.392 8.392 8.590 -0.198 25848 319 1 . 1 1 64 64 ARG N N 64 125.507 125.507 124.602 0.905 25848 320 1 . 1 1 64 64 ARG HA H 64 3.935 3.935 4.314 -0.379 25848 321 1 . 1 1 64 64 ARG C C 64 175.704 175.704 174.733 0.971 25848 322 1 . 1 1 64 64 ARG CA C 64 55.854 55.854 55.377 0.477 25848 323 1 . 1 1 64 64 ARG CB C 64 32.496 32.496 32.147 0.349 25848 324 1 . 1 1 64 64 ARG H H 64 7.877 7.877 8.053 -0.176 25848 325 1 . 1 1 65 65 SER N N 65 115.709 115.709 118.353 -2.644 25848 326 1 . 1 1 65 65 SER HA H 65 4.306 4.306 4.743 -0.437 25848 327 1 . 1 1 65 65 SER C C 65 175.289 175.289 175.082 0.207 25848 328 1 . 1 1 65 65 SER CA C 65 58.778 58.778 57.594 1.184 25848 329 1 . 1 1 65 65 SER CB C 65 63.667 63.667 64.725 -1.058 25848 330 1 . 1 1 65 65 SER H H 65 8.198 8.198 8.306 -0.108 25848 331 1 . 1 1 66 66 GLY N N 66 110.671 110.671 113.610 -2.939 25848 332 1 . 1 1 66 66 GLY C C 66 174.634 174.634 174.797 -0.163 25848 333 1 . 1 1 66 66 GLY CA C 66 46.080 46.080 45.072 1.008 25848 334 1 . 1 1 66 66 GLY H H 66 8.675 8.675 8.645 0.030 25848 335 1 . 1 1 67 67 ASN N N 67 118.608 118.608 117.912 0.696 25848 336 1 . 1 1 67 67 ASN HA H 67 4.662 4.662 4.854 -0.192 25848 337 1 . 1 1 67 67 ASN C C 67 175.108 175.108 175.649 -0.541 25848 338 1 . 1 1 67 67 ASN CA C 67 52.755 52.755 54.027 -1.272 25848 339 1 . 1 1 67 67 ASN CB C 67 38.500 38.500 39.516 -1.016 25848 340 1 . 1 1 67 67 ASN H H 67 8.374 8.374 8.372 0.002 25848 341 1 . 1 1 68 68 LYS N N 68 119.218 119.218 118.835 0.383 25848 342 1 . 1 1 68 68 LYS HA H 68 4.330 4.330 4.443 -0.113 25848 343 1 . 1 1 68 68 LYS C C 68 176.405 176.405 175.321 1.084 25848 344 1 . 1 1 68 68 LYS CA C 68 56.407 56.407 55.396 1.011 25848 345 1 . 1 1 68 68 LYS CB C 68 33.907 33.907 34.224 -0.317 25848 346 1 . 1 1 68 68 LYS H H 68 7.816 7.816 7.699 0.117 25848 347 1 . 1 1 69 69 SER N N 69 115.165 115.165 115.591 -0.426 25848 348 1 . 1 1 69 69 SER HA H 69 4.615 4.615 4.377 0.238 25848 349 1 . 1 1 69 69 SER C C 69 174.381 174.381 174.312 0.069 25848 350 1 . 1 1 69 69 SER CA C 69 57.773 57.773 58.706 -0.933 25848 351 1 . 1 1 69 69 SER CB C 69 64.533 64.533 63.755 0.778 25848 352 1 . 1 1 69 69 SER H H 69 8.176 8.176 8.324 -0.148 25848 353 1 . 1 1 70 70 SER N N 70 121.583 121.583 116.757 4.826 25848 354 1 . 1 1 70 70 SER HA H 70 5.011 5.011 4.373 0.638 25848 355 1 . 1 1 70 70 SER C C 70 175.256 175.256 174.410 0.846 25848 356 1 . 1 1 70 70 SER CA C 70 58.455 58.455 58.802 -0.347 25848 357 1 . 1 1 70 70 SER CB C 70 63.987 63.987 63.209 0.778 25848 358 1 . 1 1 70 70 SER H H 70 9.539 9.539 8.322 1.217 25848 359 1 . 1 1 71 71 VAL N N 71 115.977 115.977 118.667 -2.690 25848 360 1 . 1 1 71 71 VAL HA H 71 5.338 5.338 4.903 0.435 25848 361 1 . 1 1 71 71 VAL C C 71 176.220 176.220 174.972 1.248 25848 362 1 . 1 1 71 71 VAL CA C 71 58.655 58.655 59.062 -0.407 25848 363 1 . 1 1 71 71 VAL CB C 71 37.422 37.422 34.667 2.755 25848 364 1 . 1 1 71 71 VAL H H 71 8.502 8.502 7.848 0.654 25848 365 1 . 1 1 72 72 CYS N N 72 120.794 120.794 118.650 2.144 25848 366 1 . 1 1 72 72 CYS HA H 72 5.025 5.025 5.540 -0.515 25848 367 1 . 1 1 72 72 CYS C C 72 174.142 174.142 174.558 -0.416 25848 368 1 . 1 1 72 72 CYS CA C 72 54.465 54.465 57.955 -3.490 25848 369 1 . 1 1 72 72 CYS CB C 72 38.458 38.458 29.045 9.413 25848 370 1 . 1 1 72 72 CYS H H 72 8.557 8.557 8.111 0.446 25848 371 1 . 1 1 73 73 ALA N N 73 130.318 130.318 125.631 4.687 25848 372 1 . 1 1 73 73 ALA HA H 73 4.460 4.460 4.764 -0.304 25848 373 1 . 1 1 73 73 ALA CA C 73 49.597 49.597 49.519 0.078 25848 374 1 . 1 1 73 73 ALA CB C 73 21.534 21.534 20.370 1.164 25848 375 1 . 1 1 73 73 ALA H H 73 9.629 9.629 8.751 0.878 25848 376 1 . 1 1 74 74 PRO HA H 74 4.500 4.500 4.507 -0.007 25848 377 1 . 1 1 74 74 PRO C C 74 176.504 176.504 176.719 -0.215 25848 378 1 . 1 1 74 74 PRO CA C 74 63.219 63.219 62.029 1.190 25848 379 1 . 1 1 74 74 PRO CB C 74 31.903 31.903 32.332 -0.429 25848 380 1 . 1 1 75 75 ILE N N 75 122.019 122.019 114.467 7.552 25848 381 1 . 1 1 75 75 ILE HA H 75 3.944 3.944 4.107 -0.163 25848 382 1 . 1 1 75 75 ILE C C 75 175.793 175.793 176.072 -0.279 25848 383 1 . 1 1 75 75 ILE CA C 75 62.346 62.346 61.849 0.497 25848 384 1 . 1 1 75 75 ILE CB C 75 38.969 38.969 37.843 1.126 25848 385 1 . 1 1 75 75 ILE H H 75 7.769 7.769 7.958 -0.189 25848 stop_ save_