============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 2 1.000 7.588 -30.068 -12.238 -99.200 -91.000 TYR 6 0.840 -2.942 -31.409 -8.438 -99.200 -91.000 TYR 32 0.840 -3.181 -11.765 7.605 -99.200 -91.000 HIS 33 0.900 5.012 -17.311 4.964 -99.200 -91.000 HIS 38 0.900 3.011 -29.295 -1.549 -99.200 -91.000 PHE 42 1.000 0.548 -26.421 -6.533 -99.200 -91.000 TYR 44 0.840 6.619 -25.284 -5.590 -99.200 -91.000 HIS 48 0.900 6.047 -23.030 -12.747 -99.200 -91.000 TYR 55 0.840 -15.697 -17.597 0.655 -99.200 -91.000 TYR 56 0.840 -13.833 -27.078 -5.116 -99.200 -91.000 TYR 64 0.840 -3.593 -14.781 -4.165 -99.200 -91.000 HIS 82 0.900 -5.856 -6.073 -3.272 -99.200 -91.000 TYR 84 0.840 -15.041 -2.649 -1.939 -99.200 -91.000 TYR 87 0.840 -12.535 -7.362 5.145 -99.200 -91.000 TYR 89 0.840 -15.526 -14.707 -4.311 -99.200 -91.000 PHE 93 1.000 -11.083 -19.309 1.300 -99.200 -91.000 TYR 104 0.840 -10.811 -28.043 -1.584 -99.200 -91.000 HIS 109 0.900 -2.444 -21.929 -13.160 -99.200 -91.000 TYR 111 0.840 4.608 -20.713 -19.611 -99.200 -91.000 PHE 112 1.000 8.998 -13.108 -12.948 -99.200 -91.000 PHE 125 1.000 19.693 -15.295 -11.884 -99.200 -91.000 PHE 127 1.000 16.264 -12.084 -8.822 -99.200 -91.000 TYR 137 0.840 11.912 -10.744 -8.379 -99.200 -91.000 PHE 140 1.000 13.138 -16.474 -9.486 -99.200 -91.000 PHE 145 1.000 22.630 -16.791 -2.328 -99.200 -91.000 TYR 147 0.840 15.497 -19.657 4.461 -99.200 -91.000 TYR 153 0.840 22.698 -24.537 12.597 -99.200 -91.000 TYR 159 0.840 24.059 -17.571 -7.727 -99.200 -91.000 TYR 162 0.840 26.927 -8.082 -6.602 -99.200 -91.000 TYR 166 0.840 18.142 -1.705 -8.999 -99.200 -91.000 TYR 167 0.840 10.175 -5.191 -1.861 -99.200 -91.000 TYR 170 0.840 3.077 4.626 2.689 -99.200 -91.000 TYR 177 0.840 7.824 -13.888 2.131 -99.200 -91.000 TYR 183 0.840 20.103 -16.763 6.452 -99.200 -91.000 PHE 184 1.000 18.425 -15.923 1.251 -99.200 -91.000 TYR 188 0.840 24.552 -17.215 1.370 -99.200 -91.000 HIS 195 0.900 20.789 -0.231 -4.770 -99.200 -91.000 TYR 196 0.840 15.097 -2.880 1.217 -99.200 -91.000 PHE 198 1.000 12.201 2.423 2.568 -99.200 -91.000 TYR 200 0.840 5.717 8.982 4.674 -99.200 -91.000 PHE 204 1.000 13.177 8.565 -6.686 -99.200 -91.000 TYR 205 0.840 5.288 5.606 -7.819 -99.200 -91.000 TYR 211 0.840 16.482 8.686 -16.900 -99.200 -91.000 PHE 217 1.000 18.601 -1.898 -15.180 -99.200 -91.000 PHE 221 1.000 19.865 -6.447 -19.969 -99.200 -91.000 TYR 224 0.840 29.632 -7.741 -13.989 -99.200 -91.000 TYR 229 0.840 14.145 -13.616 -13.674 -99.200 -91.000 HIS 233 0.900 2.193 -0.841 -8.764 -99.200 -91.000 TYR 238 0.840 3.685 1.779 -20.134 -99.200 -91.000 HIS 250 0.900 13.086 -14.635 -18.044 -99.200 -91.000 TYR 254 0.840 0.791 -9.134 -9.253 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ok7E1 ASN 5 HA -0.44 -0.12 0.21 -0.75 4.76 3.65 2ok7E1 ASN 5 HB2 -0.07 -0.07 -0.03 -0.04 2.88 2.66 2ok7E1 ASN 5 HB3 -0.10 0.00 0.05 -0.04 2.79 2.70 2ok7E1 ASN 5 HD21 -0.04 0.01 0.01 -0.04 7.03 6.97 2ok7E1 ASN 5 HD22 -0.04 -0.02 -0.05 -0.04 7.74 7.58 2ok7E1 PHE 6 H -0.21 0.07 0.01 -0.55 8.34 7.66 2ok7E1 PHE 6 HA -0.07 0.25 0.62 -0.75 4.62 4.67 2ok7E1 PHE 6 HB2 -0.03 -0.04 -0.14 -0.04 3.15 2.90 2ok7E1 PHE 6 HB3 -0.09 0.06 -0.04 -0.04 3.06 2.94 2ok7E1 PHE 6 HD2 0.04 -0.03 -0.24 -0.04 7.28 7.01 2ok7E1 PHE 6 HE2 -0.01 0.00 -0.13 -0.04 7.38 7.19 2ok7E1 PHE 6 HZ -0.02 0.00 -0.07 -0.04 7.32 7.19 2ok7E1 ILE 7 H -0.06 0.09 -0.26 -0.55 8.25 7.47 2ok7E1 ILE 7 HA -0.24 0.20 0.54 -0.75 4.18 3.93 2ok7E1 ILE 7 HB -0.04 -0.02 0.09 -0.04 1.89 1.88 2ok7E1 ILE 7 HG12 -0.32 -0.03 0.00 -0.04 1.49 1.10 2ok7E1 ILE 7 HG13 -0.41 0.12 -0.07 -0.04 1.21 0.81 2ok7E1 ILE 7 HG23 -0.08 -0.01 -0.05 -0.04 0.93 0.75 2ok7E1 ILE 7 HD13 0.05 -0.04 -0.03 -0.04 0.88 0.83 2ok7E1 ASN 8 H -0.30 0.13 0.39 -0.55 8.53 8.21 2ok7E1 ASN 8 HA -0.19 -0.07 0.42 -0.75 4.76 4.17 2ok7E1 ASN 8 HB2 -0.06 0.13 -0.26 -0.04 2.88 2.64 2ok7E1 ASN 8 HB3 -0.04 0.00 0.19 -0.04 2.79 2.89 2ok7E1 ASN 8 HD21 0.19 -0.05 -0.00 -0.04 7.03 7.13 2ok7E1 ASN 8 HD22 -0.01 0.10 0.04 -0.04 7.74 7.83 2ok7E1 LEU 9 H -0.16 0.20 -0.05 -0.55 8.37 7.82 2ok7E1 LEU 9 HA -0.19 0.14 0.51 -0.75 4.35 4.05 2ok7E1 LEU 9 HB2 -0.23 -0.01 0.10 -0.04 1.64 1.45 2ok7E1 LEU 9 HB3 -0.42 0.01 0.09 -0.04 1.64 1.28 2ok7E1 LEU 9 HG -0.07 0.05 -0.26 -0.04 1.64 1.31 2ok7E1 LEU 9 HD13 0.00 0.02 0.04 -0.04 0.93 0.95 2ok7E1 LEU 9 HD23 -0.07 0.01 -0.03 -0.04 0.89 0.76 2ok7E1 TYR 10 H -0.00 -0.08 0.05 -0.55 8.29 7.70 2ok7E1 TYR 10 HA -0.00 0.32 0.79 -0.75 4.56 4.91 2ok7E1 TYR 10 HB2 0.04 -0.45 0.20 -0.04 3.06 2.81 2ok7E1 TYR 10 HB3 0.04 0.24 0.24 -0.04 2.98 3.47 2ok7E1 TYR 10 HD2 -0.08 0.08 -0.05 -0.04 7.15 7.06 2ok7E1 TYR 10 HE2 -0.04 0.04 -0.00 -0.04 6.85 6.81 2ok7E1 THR 11 H 0.12 0.38 0.04 -0.55 8.28 8.28 2ok7E1 THR 11 HA 0.09 0.18 0.79 -0.75 4.39 4.70 2ok7E1 THR 11 HB 0.04 -0.18 0.17 -0.04 4.32 4.31 2ok7E1 THR 11 HG23 0.03 0.05 -0.17 -0.04 1.22 1.09 2ok7E1 VAL 12 H 0.03 0.16 0.08 -0.55 8.24 7.96 2ok7E1 VAL 12 HA -0.07 0.16 0.50 -0.75 4.13 3.97 2ok7E1 VAL 12 HB 0.01 0.06 0.00 -0.04 2.12 2.15 2ok7E1 VAL 12 HG13 -0.01 0.02 -0.10 -0.04 0.97 0.84 2ok7E1 VAL 12 HG23 0.02 0.01 0.03 -0.04 0.95 0.97 2ok7E1 LYS 13 H 0.03 -0.02 -0.11 -0.55 8.42 7.77 2ok7E1 LYS 13 HA 0.05 0.12 0.53 -0.75 4.32 4.27 2ok7E1 LYS 13 HB2 0.03 -0.05 0.03 -0.04 1.87 1.84 2ok7E1 LYS 13 HB3 0.03 0.06 -0.00 -0.04 1.79 1.84 2ok7E1 LYS 13 HG2 0.03 0.05 0.03 -0.04 1.46 1.52 2ok7E1 LYS 13 HG3 0.03 -0.09 0.02 -0.04 1.46 1.38 2ok7E1 LYS 13 HD2 0.02 -0.04 0.02 -0.04 1.69 1.65 2ok7E1 LYS 13 HD3 0.02 0.05 0.00 -0.04 1.68 1.71 2ok7E1 LYS 13 HE2 0.02 -0.03 0.01 -0.04 2.99 2.94 2ok7E1 LYS 13 HE3 0.02 0.02 0.01 -0.04 2.99 2.99 2ok7E1 ASN 14 H 0.05 -0.12 -0.45 -0.55 8.53 7.47 2ok7E1 ASN 14 HA 0.09 0.25 0.77 -0.75 4.76 5.12 2ok7E1 ASN 14 HB2 0.05 -0.06 -0.18 -0.04 2.88 2.66 2ok7E1 ASN 14 HB3 0.08 -0.06 0.19 -0.04 2.79 2.95 2ok7E1 ASN 14 HD21 0.11 -0.01 0.00 -0.04 7.03 7.10 2ok7E1 ASN 14 HD22 0.11 -0.01 0.06 -0.04 7.74 7.86 2ok7E1 PRO 15 HA 0.09 0.13 0.60 -0.51 4.44 4.75 2ok7E1 PRO 15 HB2 0.02 -0.06 -0.18 -0.04 2.28 2.01 2ok7E1 PRO 15 HB3 -0.13 0.02 -0.13 -0.04 2.02 1.74 2ok7E1 PRO 15 HG2 -0.97 -0.02 -0.07 -0.04 2.03 0.93 2ok7E1 PRO 15 HG3 -0.35 0.06 -0.05 -0.04 2.03 1.64 2ok7E1 PRO 15 HD2 0.06 0.05 0.03 -0.04 3.68 3.78 2ok7E1 PRO 15 HD3 0.01 0.20 -0.43 -0.04 3.65 3.39 2ok7E1 LEU 16 H -0.07 0.50 0.24 -0.55 8.37 8.49 2ok7E1 LEU 16 HA -0.07 0.18 0.91 -0.75 4.35 4.61 2ok7E1 LEU 16 HB2 -1.40 0.05 -0.01 -0.04 1.64 0.24 2ok7E1 LEU 16 HB3 -0.36 -0.09 0.12 -0.04 1.64 1.27 2ok7E1 LEU 16 HG -0.15 0.05 -0.37 -0.04 1.64 1.14 2ok7E1 LEU 16 HD13 -0.08 0.01 -0.03 -0.04 0.93 0.80 2ok7E1 LEU 16 HD23 -0.13 -0.00 -0.14 -0.04 0.89 0.58 2ok7E1 LYS 17 H 0.00 0.19 0.09 -0.55 8.42 8.16 2ok7E1 LYS 17 HA -0.59 0.06 0.54 -0.75 4.32 3.58 2ok7E1 LYS 17 HB2 0.06 0.01 0.07 -0.04 1.87 1.96 2ok7E1 LYS 17 HB3 -0.05 -0.02 0.14 -0.04 1.79 1.82 2ok7E1 LYS 17 HG2 -0.20 0.03 -0.16 -0.04 1.46 1.09 2ok7E1 LYS 17 HG3 -0.62 0.00 -0.03 -0.04 1.46 0.77 2ok7E1 LYS 17 HD2 0.16 -0.01 -0.03 -0.04 1.69 1.77 2ok7E1 LYS 17 HD3 0.02 -0.02 -0.03 -0.04 1.68 1.61 2ok7E1 LYS 17 HE2 0.04 0.01 -0.04 -0.04 2.99 2.96 2ok7E1 LYS 17 HE3 0.10 -0.02 -0.03 -0.04 2.99 3.00 2ok7E1 CYS 18 H -0.33 0.61 0.46 -0.55 8.50 8.69 2ok7E1 CYS 18 HA -0.10 0.15 0.93 -0.75 4.58 4.80 2ok7E1 CYS 18 HB2 -0.17 0.03 0.04 -0.04 2.97 2.83 2ok7E1 CYS 18 HB3 -0.10 0.03 0.03 -0.04 2.97 2.89 2ok7E1 LYS 19 H -0.09 0.57 0.34 -0.55 8.42 8.69 2ok7E1 LYS 19 HA -0.11 0.42 1.06 -0.75 4.32 4.93 2ok7E1 LYS 19 HB2 -0.07 -0.09 0.04 -0.04 1.87 1.71 2ok7E1 LYS 19 HB3 -0.07 0.02 -0.05 -0.04 1.79 1.65 2ok7E1 LYS 19 HG2 -0.09 0.12 -0.31 -0.04 1.46 1.14 2ok7E1 LYS 19 HG3 -0.08 -0.04 -0.31 -0.04 1.46 1.00 2ok7E1 LYS 19 HD2 -0.05 -0.01 -0.11 -0.04 1.69 1.48 2ok7E1 LYS 19 HD3 -0.05 -0.05 -0.08 -0.04 1.68 1.47 2ok7E1 LYS 19 HE2 -0.04 -0.02 -0.04 -0.04 2.99 2.85 2ok7E1 LYS 19 HE3 -0.05 0.01 -0.17 -0.04 2.99 2.73 2ok7E1 ILE 20 H -0.10 0.48 0.26 -0.55 8.25 8.35 2ok7E1 ILE 20 HA -0.10 0.10 0.71 -0.75 4.18 4.14 2ok7E1 ILE 20 HB -0.11 -0.18 0.25 -0.04 1.89 1.81 2ok7E1 ILE 20 HG12 -0.13 0.04 -0.07 -0.04 1.49 1.29 2ok7E1 ILE 20 HG13 -0.17 0.08 -0.07 -0.04 1.21 1.01 2ok7E1 ILE 20 HG23 -0.12 0.02 -0.27 -0.04 0.93 0.53 2ok7E1 ILE 20 HD13 -0.16 -0.00 -0.12 -0.04 0.88 0.55 2ok7E1 VAL 21 H -0.07 0.72 0.47 -0.55 8.24 8.81 2ok7E1 VAL 21 HA -0.04 0.12 0.81 -0.75 4.13 4.27 2ok7E1 VAL 21 HB -0.03 0.00 -0.04 -0.04 2.12 2.01 2ok7E1 VAL 21 HG13 -0.01 -0.01 -0.13 -0.04 0.97 0.78 2ok7E1 VAL 21 HG23 -0.04 -0.00 -0.06 -0.04 0.95 0.81 2ok7E1 ASP 22 H -0.04 0.35 0.35 -0.55 8.40 8.51 2ok7E1 ASP 22 HA -0.02 0.21 0.73 -0.75 4.63 4.79 2ok7E1 ASP 22 HB2 0.02 -0.02 -0.17 -0.04 2.71 2.51 2ok7E1 ASP 22 HB3 0.07 -0.07 -0.07 -0.04 2.70 2.60 2ok7E1 LYS 23 H -0.02 0.25 0.05 -0.55 8.42 8.14 2ok7E1 LYS 23 HA -0.03 0.29 0.85 -0.75 4.32 4.68 2ok7E1 LYS 23 HB2 -0.14 0.01 -0.18 -0.04 1.87 1.52 2ok7E1 LYS 23 HB3 -0.11 -0.02 0.06 -0.04 1.79 1.68 2ok7E1 LYS 23 HG2 -0.23 -0.05 -0.21 -0.04 1.46 0.92 2ok7E1 LYS 23 HG3 -0.22 -0.01 -0.08 -0.04 1.46 1.10 2ok7E1 LYS 23 HD2 -0.30 -0.03 -0.17 -0.04 1.69 1.15 2ok7E1 LYS 23 HD3 -0.26 -0.01 -0.12 -0.04 1.68 1.25 2ok7E1 LYS 23 HE2 -0.90 -0.13 -0.08 -0.04 2.99 1.84 2ok7E1 LYS 23 HE3 -0.74 -0.04 -0.08 -0.04 2.99 2.10 2ok7E1 ILE 24 H 0.13 0.77 0.26 -0.55 8.25 8.85 2ok7E1 ILE 24 HA 0.07 0.17 0.84 -0.75 4.18 4.51 2ok7E1 ILE 24 HB 0.12 -0.08 0.05 -0.04 1.89 1.94 2ok7E1 ILE 24 HG12 0.11 -0.10 -0.24 -0.04 1.49 1.22 2ok7E1 ILE 24 HG13 0.01 0.01 -0.10 -0.04 1.21 1.10 2ok7E1 ILE 24 HG23 -0.05 0.01 -0.21 -0.04 0.93 0.64 2ok7E1 ILE 24 HD13 0.02 0.07 -0.14 -0.04 0.88 0.79 2ok7E1 ASN 25 H 0.08 0.20 0.19 -0.55 8.53 8.45 2ok7E1 ASN 25 HA -0.18 0.16 0.86 -0.75 4.76 4.84 2ok7E1 ASN 25 HB2 0.03 0.03 0.18 -0.04 2.88 3.08 2ok7E1 ASN 25 HB3 -0.03 0.00 0.20 -0.04 2.79 2.92 2ok7E1 ASN 25 HD21 -0.09 0.02 -0.02 -0.04 7.03 6.90 2ok7E1 ASN 25 HD22 -0.05 -0.04 0.03 -0.04 7.74 7.64 2ok7E1 LEU 26 H -0.18 0.35 0.23 -0.55 8.37 8.22 2ok7E1 LEU 26 HA -0.14 0.11 0.51 -0.75 4.35 4.08 2ok7E1 LEU 26 HB2 -0.16 0.02 -0.05 -0.04 1.64 1.41 2ok7E1 LEU 26 HB3 -0.19 -0.08 -0.08 -0.04 1.64 1.26 2ok7E1 LEU 26 HG -0.17 0.04 -0.07 -0.04 1.64 1.40 2ok7E1 LEU 26 HD13 -0.38 -0.02 -0.15 -0.04 0.93 0.34 2ok7E1 LEU 26 HD23 -0.60 -0.06 0.02 -0.04 0.89 0.22 2ok7E1 VAL 27 H -0.15 0.06 0.01 -0.55 8.24 7.62 2ok7E1 VAL 27 HA -0.06 0.18 0.69 -0.75 4.13 4.19 2ok7E1 VAL 27 HB -0.07 0.17 0.11 -0.04 2.12 2.28 2ok7E1 VAL 27 HG13 -0.06 -0.05 -0.08 -0.04 0.97 0.74 2ok7E1 VAL 27 HG23 -0.14 0.06 0.05 -0.04 0.95 0.88 2ok7E1 ARG 28 H -0.06 0.40 0.29 -0.55 8.46 8.54 2ok7E1 ARG 28 HA -0.05 0.20 0.67 -0.75 4.34 4.40 2ok7E1 ARG 28 HB2 -0.05 -0.09 0.18 -0.04 1.90 1.89 2ok7E1 ARG 28 HB3 -0.05 -0.03 0.06 -0.04 1.80 1.74 2ok7E1 ARG 28 HG2 -0.04 -0.02 0.00 -0.04 1.67 1.57 2ok7E1 ARG 28 HG3 -0.04 0.07 0.01 -0.04 1.67 1.67 2ok7E1 ARG 28 HD2 -0.03 -0.01 -0.04 -0.04 3.22 3.10 2ok7E1 ARG 28 HD3 -0.04 0.06 -0.18 -0.04 3.22 3.01 2ok7E1 PRO 29 HA -0.05 0.14 0.12 -0.51 4.44 4.13 2ok7E1 PRO 29 HB2 -0.04 0.05 0.00 -0.04 2.28 2.25 2ok7E1 PRO 29 HB3 -0.04 0.05 0.11 -0.04 2.02 2.11 2ok7E1 PRO 29 HG2 -0.04 -0.01 0.03 -0.04 2.03 1.96 2ok7E1 PRO 29 HG3 -0.03 0.07 0.06 -0.04 2.03 2.08 2ok7E1 PRO 29 HD2 -0.04 0.05 0.17 -0.04 3.68 3.81 2ok7E1 PRO 29 HD3 -0.04 0.18 0.21 -0.04 3.65 3.95 2ok7E1 ASN 30 H -0.06 0.04 -0.33 -0.55 8.53 7.63 2ok7E1 ASN 30 HA -0.06 0.27 0.83 -0.75 4.76 5.05 2ok7E1 ASN 30 HB2 -0.07 -0.08 0.09 -0.04 2.88 2.78 2ok7E1 ASN 30 HB3 -0.07 0.01 0.16 -0.04 2.79 2.85 2ok7E1 ASN 30 HD21 -0.04 0.01 -0.07 -0.04 7.03 6.90 2ok7E1 ASN 30 HD22 -0.05 0.04 -0.01 -0.04 7.74 7.68 2ok7E1 SER 31 H -0.07 0.39 -0.34 -0.55 8.46 7.89 2ok7E1 SER 31 HA -0.07 0.04 0.72 -0.75 4.49 4.43 2ok7E1 SER 31 HB2 -0.05 -0.21 -0.38 -0.04 3.95 3.27 2ok7E1 SER 31 HB3 -0.07 0.33 0.03 -0.04 3.93 4.18 2ok7E1 PRO 32 HA -0.16 0.19 0.49 -0.51 4.44 4.45 2ok7E1 PRO 32 HB2 -0.24 0.03 0.00 -0.04 2.28 2.03 2ok7E1 PRO 32 HB3 -0.42 0.06 0.08 -0.04 2.02 1.70 2ok7E1 PRO 32 HG2 -0.27 -0.03 0.06 -0.04 2.03 1.75 2ok7E1 PRO 32 HG3 -1.09 0.03 0.07 -0.04 2.03 0.99 2ok7E1 PRO 32 HD2 -0.14 -0.05 0.21 -0.04 3.68 3.65 2ok7E1 PRO 32 HD3 -0.41 0.18 0.16 -0.04 3.65 3.53 2ok7E1 ASN 33 H -0.10 -0.02 -0.20 -0.55 8.53 7.67 2ok7E1 ASN 33 HA -0.07 0.29 0.86 -0.75 4.76 5.09 2ok7E1 ASN 33 HB2 -0.06 -0.01 -0.04 -0.04 2.88 2.72 2ok7E1 ASN 33 HB3 -0.05 0.04 -0.01 -0.04 2.79 2.73 2ok7E1 ASN 33 HD21 0.03 -0.10 0.07 -0.04 7.03 6.98 2ok7E1 ASN 33 HD22 -0.02 0.06 -0.00 -0.04 7.74 7.73 2ok7E1 GLU 34 H -0.07 0.23 0.15 -0.55 8.60 8.36 2ok7E1 GLU 34 HA -0.18 0.18 0.88 -0.75 4.29 4.43 2ok7E1 GLU 34 HB2 -0.04 0.08 -0.01 -0.04 2.09 2.09 2ok7E1 GLU 34 HB3 -0.01 0.00 0.24 -0.04 1.99 2.18 2ok7E1 GLU 34 HG2 -0.10 -0.04 -0.17 -0.04 2.34 1.99 2ok7E1 GLU 34 HG3 -0.19 0.03 -0.01 -0.04 2.34 2.12 2ok7E1 VAL 35 H -0.27 0.22 0.12 -0.55 8.24 7.76 2ok7E1 VAL 35 HA -0.12 0.33 1.02 -0.75 4.13 4.60 2ok7E1 VAL 35 HB -0.12 -0.06 -0.04 -0.04 2.12 1.85 2ok7E1 VAL 35 HG13 -0.03 -0.01 -0.36 -0.04 0.97 0.53 2ok7E1 VAL 35 HG23 -0.05 -0.01 -0.25 -0.04 0.95 0.60 2ok7E1 TYR 36 H 0.00 0.61 0.25 -0.55 8.29 8.61 2ok7E1 TYR 36 HA -0.05 0.21 1.05 -0.75 4.56 5.02 2ok7E1 TYR 36 HB2 -0.10 -0.01 0.01 -0.04 3.06 2.92 2ok7E1 TYR 36 HB3 -0.08 0.08 -0.13 -0.04 2.98 2.80 2ok7E1 TYR 36 HD2 -0.06 -0.02 -0.31 -0.04 7.15 6.71 2ok7E1 TYR 36 HE2 -0.05 -0.01 -0.10 -0.04 6.85 6.64 2ok7E1 HIS 37 H 0.12 0.80 0.34 -0.55 8.41 9.12 2ok7E1 HIS 37 HA -0.02 0.23 0.93 -0.75 4.63 5.02 2ok7E1 HIS 37 HB2 -0.17 -0.07 0.07 -0.04 3.26 3.05 2ok7E1 HIS 37 HB3 -0.04 -0.01 0.16 -0.04 3.20 3.26 2ok7E1 HIS 37 HD2 0.01 -0.08 -0.32 -0.04 6.97 6.53 2ok7E1 HIS 37 HE1 0.19 0.02 -0.14 -0.04 7.75 7.78 2ok7E1 LEU 38 H -0.35 0.68 0.32 -0.55 8.37 8.47 2ok7E1 LEU 38 HA -0.14 0.33 1.04 -0.75 4.35 4.82 2ok7E1 LEU 38 HB2 -0.21 -0.10 0.06 -0.04 1.64 1.35 2ok7E1 LEU 38 HB3 -0.18 0.05 -0.07 -0.04 1.64 1.40 2ok7E1 LEU 38 HG -0.14 -0.03 -0.29 -0.04 1.64 1.13 2ok7E1 LEU 38 HD13 -0.21 -0.01 -0.14 -0.04 0.93 0.52 2ok7E1 LEU 38 HD23 -0.17 0.04 -0.07 -0.04 0.89 0.65 2ok7E1 GLU 39 H -0.09 0.50 0.20 -0.55 8.60 8.67 2ok7E1 GLU 39 HA -0.10 0.24 0.92 -0.75 4.29 4.60 2ok7E1 GLU 39 HB2 0.10 -0.00 0.03 -0.04 2.09 2.18 2ok7E1 GLU 39 HB3 0.00 -0.19 0.17 -0.04 1.99 1.93 2ok7E1 GLU 39 HG2 0.01 0.02 -0.12 -0.04 2.34 2.21 2ok7E1 GLU 39 HG3 0.08 0.06 -0.05 -0.04 2.34 2.39 2ok7E1 ILE 40 H -0.07 0.89 0.22 -0.55 8.25 8.74 2ok7E1 ILE 40 HA -0.08 0.18 1.02 -0.75 4.18 4.54 2ok7E1 ILE 40 HB -0.14 -0.01 -0.11 -0.04 1.89 1.59 2ok7E1 ILE 40 HG12 -0.14 0.05 -0.25 -0.04 1.49 1.12 2ok7E1 ILE 40 HG13 -0.15 -0.10 -0.63 -0.04 1.21 0.29 2ok7E1 ILE 40 HG23 -0.12 -0.01 -0.31 -0.04 0.93 0.45 2ok7E1 ILE 40 HD13 -0.19 -0.00 -0.24 -0.04 0.88 0.40 2ok7E1 ASN 41 H -0.06 0.62 0.32 -0.55 8.53 8.86 2ok7E1 ASN 41 HA -0.10 0.05 0.88 -0.75 4.76 4.84 2ok7E1 ASN 41 HB2 -0.06 0.01 0.08 -0.04 2.88 2.86 2ok7E1 ASN 41 HB3 -0.06 0.09 0.18 -0.04 2.79 2.96 2ok7E1 ASN 41 HD21 -0.06 0.04 -0.04 -0.04 7.03 6.93 2ok7E1 ASN 41 HD22 -0.06 0.04 -0.03 -0.04 7.74 7.66 2ok7E1 HIS 42 H -0.40 0.19 0.23 -0.55 8.41 7.89 2ok7E1 HIS 42 HA -0.07 0.29 0.89 -0.75 4.63 4.99 2ok7E1 HIS 42 HB2 0.01 0.00 0.16 -0.04 3.26 3.39 2ok7E1 HIS 42 HB3 -0.12 0.06 -0.12 -0.04 3.20 2.98 2ok7E1 HIS 42 HD2 -0.05 -0.06 0.12 -0.04 6.97 6.94 2ok7E1 HIS 42 HE1 0.14 0.21 -0.07 -0.04 7.75 7.99 2ok7E1 ASN 43 H -0.15 0.08 -0.00 -0.55 8.53 7.92 2ok7E1 ASN 43 HA -0.09 0.03 0.31 -0.75 4.76 4.26 2ok7E1 ASN 43 HB2 0.02 0.15 -0.04 -0.04 2.88 2.97 2ok7E1 ASN 43 HB3 -0.00 0.04 0.18 -0.04 2.79 2.96 2ok7E1 ASN 43 HD21 -0.03 0.03 -0.08 -0.04 7.03 6.92 2ok7E1 ASN 43 HD22 -0.01 0.09 -0.23 -0.04 7.74 7.55 2ok7E1 GLY 44 H -0.48 -0.04 -0.34 -0.55 8.43 7.02 2ok7E1 GLY 44 HA2 0.02 0.11 0.28 -0.51 4.01 3.91 2ok7E1 GLY 44 HA3 -0.00 0.11 0.61 -0.51 4.01 4.22 2ok7E1 LEU 45 H 0.32 0.39 -0.12 -0.55 8.37 8.41 2ok7E1 LEU 45 HA 0.15 0.18 0.57 -0.75 4.35 4.49 2ok7E1 LEU 45 HB2 0.15 0.15 0.08 -0.04 1.64 1.98 2ok7E1 LEU 45 HB3 0.21 -0.04 0.04 -0.04 1.64 1.81 2ok7E1 LEU 45 HG 0.08 0.05 -0.16 -0.04 1.64 1.57 2ok7E1 LEU 45 HD13 0.09 -0.01 -0.02 -0.04 0.93 0.94 2ok7E1 LEU 45 HD23 0.09 0.01 -0.07 -0.04 0.89 0.87 2ok7E1 PHE 46 H 0.55 -0.01 -0.04 -0.55 8.34 8.29 2ok7E1 PHE 46 HA 0.05 0.11 0.71 -0.75 4.62 4.74 2ok7E1 PHE 46 HB2 -0.31 -0.05 0.05 -0.04 3.15 2.80 2ok7E1 PHE 46 HB3 -0.78 -0.04 0.05 -0.04 3.06 2.25 2ok7E1 PHE 46 HD2 -0.25 -0.05 -0.21 -0.04 7.28 6.73 2ok7E1 PHE 46 HE2 -0.12 -0.14 -0.27 -0.04 7.38 6.80 2ok7E1 PHE 46 HZ -0.05 -0.07 -0.12 -0.04 7.32 7.04 2ok7E1 LYS 47 H -0.27 0.20 0.15 -0.55 8.42 7.95 2ok7E1 LYS 47 HA -0.30 0.14 0.71 -0.75 4.32 4.12 2ok7E1 LYS 47 HB2 -0.21 -0.01 0.12 -0.04 1.87 1.74 2ok7E1 LYS 47 HB3 -1.04 -0.03 -0.04 -0.04 1.79 0.64 2ok7E1 LYS 47 HG2 -0.10 0.06 -0.25 -0.04 1.46 1.14 2ok7E1 LYS 47 HG3 -0.10 -0.00 -0.02 -0.04 1.46 1.30 2ok7E1 LYS 47 HD2 -0.45 -0.03 -0.05 -0.04 1.69 1.12 2ok7E1 LYS 47 HD3 -0.42 0.02 -0.05 -0.04 1.68 1.19 2ok7E1 LYS 47 HE2 -0.04 0.10 -0.07 -0.04 2.99 2.94 2ok7E1 LYS 47 HE3 -0.04 -0.04 -0.03 -0.04 2.99 2.83 2ok7E1 TYR 48 H -0.47 0.32 0.18 -0.55 8.29 7.76 2ok7E1 TYR 48 HA 0.25 0.05 0.59 -0.75 4.56 4.69 2ok7E1 TYR 48 HB2 0.26 0.01 0.03 -0.04 3.06 3.31 2ok7E1 TYR 48 HB3 0.13 0.11 -0.30 -0.04 2.98 2.89 2ok7E1 TYR 48 HD2 0.10 0.12 -0.38 -0.04 7.15 6.95 2ok7E1 TYR 48 HE2 0.02 0.16 -0.17 -0.04 6.85 6.81 2ok7E1 LEU 49 H 0.66 0.13 0.11 -0.55 8.37 8.72 2ok7E1 LEU 49 HA 0.01 0.16 0.81 -0.75 4.35 4.58 2ok7E1 LEU 49 HB2 -0.44 -0.02 -0.02 -0.04 1.64 1.12 2ok7E1 LEU 49 HB3 -0.07 0.06 0.04 -0.04 1.64 1.63 2ok7E1 LEU 49 HG 0.37 -0.05 -0.11 -0.04 1.64 1.80 2ok7E1 LEU 49 HD13 0.01 0.02 -0.03 -0.04 0.93 0.88 2ok7E1 LEU 49 HD23 0.10 0.03 0.03 -0.04 0.89 1.00 2ok7E1 GLU 50 H 0.01 0.12 0.12 -0.55 8.60 8.31 2ok7E1 GLU 50 HA 0.15 0.10 0.47 -0.75 4.29 4.26 2ok7E1 GLU 50 HB2 0.10 -0.04 0.14 -0.04 2.09 2.25 2ok7E1 GLU 50 HB3 0.18 0.05 -0.21 -0.04 1.99 1.97 2ok7E1 GLU 50 HG2 0.04 0.23 0.00 -0.04 2.34 2.57 2ok7E1 GLU 50 HG3 0.08 0.05 0.07 -0.04 2.34 2.50 2ok7E1 GLY 51 H 0.02 0.20 0.26 -0.55 8.43 8.37 2ok7E1 GLY 51 HA2 -0.17 -0.07 0.40 -0.51 4.01 3.66 2ok7E1 GLY 51 HA3 0.12 0.39 0.79 -0.51 4.01 4.80 2ok7E1 HIS 52 H 0.14 0.41 -0.04 -0.55 8.41 8.37 2ok7E1 HIS 52 HA 0.10 0.10 0.62 -0.75 4.63 4.69 2ok7E1 HIS 52 HB2 0.22 0.11 0.17 -0.04 3.26 3.72 2ok7E1 HIS 52 HB3 0.12 0.06 0.11 -0.04 3.20 3.45 2ok7E1 HIS 52 HD2 0.03 0.00 -0.23 -0.04 6.97 6.73 2ok7E1 HIS 52 HE1 0.13 -0.05 -0.05 -0.04 7.75 7.73 2ok7E1 THR 53 H 0.15 0.51 0.29 -0.55 8.28 8.69 2ok7E1 THR 53 HA 0.04 0.13 0.94 -0.75 4.39 4.74 2ok7E1 THR 53 HB -0.00 0.02 -0.09 -0.04 4.32 4.21 2ok7E1 THR 53 HG23 -0.06 -0.01 -0.26 -0.04 1.22 0.85 2ok7E1 CYS 54 H 0.03 0.63 0.32 -0.55 8.50 8.92 2ok7E1 CYS 54 HA 0.30 0.26 0.75 -0.75 4.58 5.14 2ok7E1 CYS 54 HB2 -0.19 0.00 0.02 -0.04 2.97 2.77 2ok7E1 CYS 54 HB3 -0.16 0.04 -0.02 -0.04 2.97 2.78 2ok7E1 GLY 55 H 0.21 0.30 0.17 -0.55 8.43 8.57 2ok7E1 GLY 55 HA2 -0.01 0.26 0.79 -0.51 4.01 4.55 2ok7E1 GLY 55 HA3 0.00 -0.01 0.16 -0.51 4.01 3.66 2ok7E1 ILE 56 H 0.10 0.68 0.25 -0.55 8.25 8.74 2ok7E1 ILE 56 HA 0.02 0.26 0.91 -0.75 4.18 4.61 2ok7E1 ILE 56 HB 0.19 -0.02 0.07 -0.04 1.89 2.09 2ok7E1 ILE 56 HG12 -0.04 0.05 -0.24 -0.04 1.49 1.22 2ok7E1 ILE 56 HG13 0.09 -0.02 -0.33 -0.04 1.21 0.90 2ok7E1 ILE 56 HG23 0.07 -0.01 -0.26 -0.04 0.93 0.69 2ok7E1 ILE 56 HD13 -0.19 -0.01 -0.17 -0.04 0.88 0.47 2ok7E1 ILE 57 H -0.01 0.54 0.14 -0.55 8.25 8.37 2ok7E1 ILE 57 HA -0.04 0.18 0.73 -0.75 4.18 4.30 2ok7E1 ILE 57 HB -0.12 -0.02 0.09 -0.04 1.89 1.81 2ok7E1 ILE 57 HG12 -0.06 -0.07 -0.24 -0.04 1.49 1.08 2ok7E1 ILE 57 HG13 -0.05 -0.04 -0.27 -0.04 1.21 0.81 2ok7E1 ILE 57 HG23 0.00 0.01 -0.24 -0.04 0.93 0.66 2ok7E1 ILE 57 HD13 -0.29 0.00 -0.17 -0.04 0.88 0.38 2ok7E1 PRO 58 HA -1.94 0.02 0.55 -0.51 4.44 2.56 2ok7E1 PRO 58 HB2 -0.69 0.09 -0.05 -0.04 2.28 1.59 2ok7E1 PRO 58 HB3 -0.97 -0.01 0.09 -0.04 2.02 1.09 2ok7E1 PRO 58 HG2 -0.14 -0.01 0.02 -0.04 2.03 1.86 2ok7E1 PRO 58 HG3 -0.15 -0.06 0.04 -0.04 2.03 1.81 2ok7E1 PRO 58 HD2 0.00 0.15 0.21 -0.04 3.68 4.00 2ok7E1 PRO 58 HD3 -0.04 0.31 0.31 -0.04 3.65 4.19 2ok7E1 TYR 59 H -1.85 0.11 0.15 -0.55 8.29 6.14 2ok7E1 TYR 59 HA -0.09 0.05 0.30 -0.75 4.56 4.06 2ok7E1 TYR 59 HB2 -0.11 0.14 0.04 -0.04 3.06 3.09 2ok7E1 TYR 59 HB3 -0.05 0.01 0.14 -0.04 2.98 3.04 2ok7E1 TYR 59 HD2 -0.17 0.08 -0.13 -0.04 7.15 6.88 2ok7E1 TYR 59 HE2 -0.23 0.04 -0.02 -0.04 6.85 6.59 2ok7E1 TYR 60 H 0.04 0.10 -0.11 -0.55 8.29 7.77 2ok7E1 TYR 60 HA -0.11 0.13 0.65 -0.75 4.56 4.47 2ok7E1 TYR 60 HB2 -0.17 0.03 -0.20 -0.04 3.06 2.69 2ok7E1 TYR 60 HB3 -0.31 -0.04 -0.01 -0.04 2.98 2.57 2ok7E1 TYR 60 HD2 -1.11 -0.01 -0.18 -0.04 7.15 5.81 2ok7E1 TYR 60 HE2 -0.25 0.00 -0.05 -0.04 6.85 6.51 2ok7E1 ASN 61 H -0.58 0.13 0.10 -0.55 8.53 7.64 2ok7E1 ASN 61 HA -0.31 0.05 0.19 -0.75 4.76 3.94 2ok7E1 ASN 61 HB2 -0.84 -0.01 -0.14 -0.04 2.88 1.84 2ok7E1 ASN 61 HB3 -0.19 0.10 -0.13 -0.04 2.79 2.53 2ok7E1 ASN 61 HD21 0.01 -0.01 -0.00 -0.04 7.03 6.98 2ok7E1 ASN 61 HD22 0.08 0.01 -0.03 -0.04 7.74 7.77 2ok7E1 GLN 97 HA 0.03 -0.08 0.21 -0.75 4.36 3.77 2ok7E1 ARG 98 H 0.06 0.07 0.05 -0.55 8.46 8.09 2ok7E1 ARG 98 HA 0.10 0.13 0.48 -0.75 4.34 4.29 2ok7E1 CYS 99 H 0.10 0.34 0.15 -0.55 8.50 8.54 2ok7E1 CYS 99 HA 0.02 0.09 0.85 -0.75 4.58 4.78 2ok7E1 CYS 99 HB2 0.14 0.05 0.17 -0.04 2.97 3.29 2ok7E1 CYS 99 HB3 0.02 -0.06 0.02 -0.04 2.97 2.91 2ok7E1 ALA 100 H -0.01 0.13 0.02 -0.55 8.40 7.99 2ok7E1 ALA 100 HA 0.01 0.35 0.49 -0.75 4.34 4.44 2ok7E1 ALA 100 HB3 -0.03 -0.03 -0.19 -0.04 1.41 1.12 2ok7E1 ARG 101 H 0.02 0.57 0.35 -0.55 8.46 8.85 2ok7E1 ARG 101 HA -0.14 0.14 0.96 -0.75 4.34 4.55 2ok7E1 ARG 101 HB2 0.08 -0.02 0.09 -0.04 1.90 2.01 2ok7E1 ARG 101 HB3 -0.19 -0.01 0.11 -0.04 1.80 1.66 2ok7E1 ARG 101 HG2 0.08 0.18 0.06 -0.04 1.67 1.95 2ok7E1 ARG 101 HG3 0.15 -0.14 0.08 -0.04 1.67 1.72 2ok7E1 ARG 101 HD2 0.03 -0.08 0.03 -0.04 3.22 3.16 2ok7E1 ARG 101 HD3 -0.01 0.10 -0.14 -0.04 3.22 3.13 2ok7E1 LEU 102 H -0.32 0.13 0.17 -0.55 8.37 7.81 2ok7E1 LEU 102 HA -0.18 0.24 0.66 -0.75 4.35 4.32 2ok7E1 LEU 102 HB2 -0.30 -0.03 0.09 -0.04 1.64 1.36 2ok7E1 LEU 102 HB3 -0.20 0.01 -0.04 -0.04 1.64 1.36 2ok7E1 LEU 102 HG -0.24 0.00 -0.03 -0.04 1.64 1.33 2ok7E1 LEU 102 HD13 -0.18 -0.00 -0.04 -0.04 0.93 0.66 2ok7E1 LEU 102 HD23 -0.40 -0.01 -0.25 -0.04 0.89 0.20 2ok7E1 TYR 103 H -0.04 0.76 0.37 -0.55 8.29 8.84 2ok7E1 TYR 103 HA -0.14 0.06 0.76 -0.75 4.56 4.48 2ok7E1 TYR 103 HB2 -0.09 0.02 0.00 -0.04 3.06 2.95 2ok7E1 TYR 103 HB3 -0.08 0.01 -0.01 -0.04 2.98 2.85 2ok7E1 TYR 103 HD2 -0.05 0.04 -0.02 -0.04 7.15 7.07 2ok7E1 TYR 103 HE2 0.01 -0.04 -0.00 -0.04 6.85 6.78 2ok7E1 SER 104 H -0.01 0.12 0.15 -0.55 8.46 8.18 2ok7E1 SER 104 HA -0.03 0.12 0.53 -0.75 4.49 4.35 2ok7E1 SER 104 HB2 -0.04 -0.06 0.11 -0.04 3.95 3.91 2ok7E1 SER 104 HB3 -0.09 0.11 -0.10 -0.04 3.93 3.81 2ok7E1 ILE 105 H -0.04 0.57 0.33 -0.55 8.25 8.56 2ok7E1 ILE 105 HA -0.13 0.16 0.70 -0.75 4.18 4.16 2ok7E1 ILE 105 HB -0.09 0.02 0.18 -0.04 1.89 1.97 2ok7E1 ILE 105 HG12 -0.30 -0.03 -0.06 -0.04 1.49 1.06 2ok7E1 ILE 105 HG13 -0.08 -0.07 0.03 -0.04 1.21 1.05 2ok7E1 ILE 105 HG23 -0.46 -0.06 0.02 -0.04 0.93 0.40 2ok7E1 ILE 105 HD13 -0.16 0.02 -0.25 -0.04 0.88 0.45 2ok7E1 SER 106 H -0.10 0.56 0.20 -0.55 8.46 8.58 2ok7E1 SER 106 HA -0.20 0.34 0.75 -0.75 4.49 4.64 2ok7E1 SER 106 HB2 -0.51 -0.05 0.08 -0.04 3.95 3.43 2ok7E1 SER 106 HB3 -0.11 -0.04 -0.06 -0.04 3.93 3.68 2ok7E1 SER 107 H -0.04 0.19 -0.20 -0.55 8.46 7.87 2ok7E1 SER 107 HA 0.00 0.17 0.84 -0.75 4.49 4.76 2ok7E1 SER 107 HB2 0.12 0.18 0.04 -0.04 3.95 4.25 2ok7E1 SER 107 HB3 0.05 -0.02 -0.11 -0.04 3.93 3.81 2ok7E1 SER 108 H 0.10 0.11 0.11 -0.55 8.46 8.23 2ok7E1 SER 108 HA 0.10 0.16 0.71 -0.75 4.49 4.71 2ok7E1 SER 108 HB2 0.03 -0.05 0.07 -0.04 3.95 3.96 2ok7E1 SER 108 HB3 0.05 0.09 -0.10 -0.04 3.93 3.93 2ok7E1 ASN 109 H -0.06 0.12 0.13 -0.55 8.53 8.17 2ok7E1 ASN 109 HA -0.29 0.15 0.31 -0.75 4.76 4.17 2ok7E1 ASN 109 HB2 -0.10 -0.05 0.11 -0.04 2.88 2.79 2ok7E1 ASN 109 HB3 -0.18 0.07 0.04 -0.04 2.79 2.68 2ok7E1 ASN 109 HD21 -0.13 0.03 0.22 -0.04 7.03 7.11 2ok7E1 ASN 109 HD22 -0.13 -0.02 0.07 -0.04 7.74 7.62 2ok7E1 ASN 110 H 0.01 -0.00 -0.20 -0.55 8.53 7.79 2ok7E1 ASN 110 HA 0.01 0.10 0.37 -0.75 4.76 4.49 2ok7E1 ASN 110 HB2 0.03 0.01 0.02 -0.04 2.88 2.90 2ok7E1 ASN 110 HB3 0.02 -0.00 0.07 -0.04 2.79 2.84 2ok7E1 ASN 110 HD21 0.11 0.09 -0.03 -0.04 7.03 7.15 2ok7E1 ASN 110 HD22 0.07 -0.03 -0.31 -0.04 7.74 7.43 2ok7E1 MET 111 H 0.08 0.16 -0.40 -0.55 8.47 7.76 2ok7E1 MET 111 HA 0.06 -0.03 0.47 -0.75 4.52 4.27 2ok7E1 MET 111 HB2 0.13 0.21 0.04 -0.04 2.15 2.48 2ok7E1 MET 111 HB3 0.10 -0.02 0.03 -0.04 2.03 2.09 2ok7E1 MET 111 HG2 0.10 -0.07 0.02 -0.04 2.63 2.64 2ok7E1 MET 111 HG3 0.11 -0.01 -0.04 -0.04 2.56 2.58 2ok7E1 MET 111 HE3 0.24 0.02 -0.02 -0.04 2.10 2.30 2ok7E1 GLU 112 H 0.03 0.02 0.16 -0.55 8.60 8.26 2ok7E1 GLU 112 HA -0.01 0.17 0.50 -0.75 4.29 4.20 2ok7E1 GLU 112 HB2 -0.01 0.03 0.15 -0.04 2.09 2.22 2ok7E1 GLU 112 HB3 -0.02 -0.08 0.09 -0.04 1.99 1.93 2ok7E1 GLU 112 HG2 -0.08 -0.07 -0.01 -0.04 2.34 2.14 2ok7E1 GLU 112 HG3 -0.03 0.07 0.03 -0.04 2.34 2.37 2ok7E1 ASN 113 H 0.02 0.01 0.01 -0.55 8.53 8.03 2ok7E1 ASN 113 HA -0.04 0.06 0.89 -0.75 4.76 4.91 2ok7E1 ASN 113 HB2 0.03 -0.07 -0.00 -0.04 2.88 2.80 2ok7E1 ASN 113 HB3 0.01 0.12 -0.13 -0.04 2.79 2.75 2ok7E1 ASN 113 HD21 -0.02 0.03 -0.07 -0.04 7.03 6.92 2ok7E1 ASN 113 HD22 0.00 -0.01 -0.09 -0.04 7.74 7.60 2ok7E1 LEU 114 H 0.27 0.29 0.25 -0.55 8.37 8.64 2ok7E1 LEU 114 HA 0.09 0.18 0.77 -0.75 4.35 4.64 2ok7E1 LEU 114 HB2 -0.31 -0.05 0.07 -0.04 1.64 1.31 2ok7E1 LEU 114 HB3 -0.10 0.09 0.01 -0.04 1.64 1.61 2ok7E1 LEU 114 HG -0.10 0.03 -0.03 -0.04 1.64 1.50 2ok7E1 LEU 114 HD13 -0.32 -0.02 -0.32 -0.04 0.93 0.23 2ok7E1 LEU 114 HD23 -0.84 0.01 -0.10 -0.04 0.89 -0.08 2ok7E1 SER 115 H -0.10 0.17 0.14 -0.55 8.46 8.12 2ok7E1 SER 115 HA -0.17 0.35 0.93 -0.75 4.49 4.85 2ok7E1 SER 115 HB2 -0.17 0.03 0.02 -0.04 3.95 3.79 2ok7E1 SER 115 HB3 0.04 0.02 -0.26 -0.04 3.93 3.69 2ok7E1 VAL 116 H -0.28 0.54 0.34 -0.55 8.24 8.28 2ok7E1 VAL 116 HA -0.06 0.18 0.82 -0.75 4.13 4.32 2ok7E1 VAL 116 HB -0.18 -0.03 -0.37 -0.04 2.12 1.50 2ok7E1 VAL 116 HG13 -0.21 -0.01 -0.22 -0.04 0.97 0.49 2ok7E1 VAL 116 HG23 -0.07 0.01 -0.16 -0.04 0.95 0.70 2ok7E1 ALA 117 H 0.03 0.31 0.17 -0.55 8.40 8.37 2ok7E1 ALA 117 HA 0.01 0.35 1.06 -0.75 4.34 5.01 2ok7E1 ALA 117 HB3 0.20 -0.01 0.01 -0.04 1.41 1.56 2ok7E1 ILE 118 H -0.02 0.71 0.25 -0.55 8.25 8.63 2ok7E1 ILE 118 HA 0.03 0.13 1.03 -0.75 4.18 4.62 2ok7E1 ILE 118 HB -0.12 0.03 0.06 -0.04 1.89 1.81 2ok7E1 ILE 118 HG12 -0.87 0.05 -0.22 -0.04 1.49 0.40 2ok7E1 ILE 118 HG13 -0.30 -0.08 -0.40 -0.04 1.21 0.39 2ok7E1 ILE 118 HG23 -0.10 0.01 -0.21 -0.04 0.93 0.59 2ok7E1 ILE 118 HD13 -0.61 0.01 -0.15 -0.04 0.88 0.09 2ok7E1 LYS 119 H 0.10 0.14 0.18 -0.55 8.42 8.29 2ok7E1 LYS 119 HA -0.04 0.14 0.74 -0.75 4.32 4.40 2ok7E1 LYS 119 HB2 0.02 -0.07 0.09 -0.04 1.87 1.88 2ok7E1 LYS 119 HB3 -0.05 -0.01 0.11 -0.04 1.79 1.79 2ok7E1 LYS 119 HG2 -0.30 0.14 -0.24 -0.04 1.46 1.02 2ok7E1 LYS 119 HG3 -0.09 -0.04 -0.04 -0.04 1.46 1.24 2ok7E1 LYS 119 HD2 0.01 -0.09 0.01 -0.04 1.69 1.58 2ok7E1 LYS 119 HD3 -0.26 0.01 -0.05 -0.04 1.68 1.33 2ok7E1 LYS 119 HE2 -0.11 0.08 -0.03 -0.04 2.99 2.90 2ok7E1 LYS 119 HE3 -0.04 -0.05 -0.02 -0.04 2.99 2.84 2ok7E1 ILE 120 H -0.04 0.84 0.40 -0.55 8.25 8.90 2ok7E1 ILE 120 HA 0.10 0.02 0.82 -0.75 4.18 4.37 2ok7E1 ILE 120 HB 0.08 -0.03 0.21 -0.04 1.89 2.11 2ok7E1 ILE 120 HG12 0.12 0.12 -0.02 -0.04 1.49 1.66 2ok7E1 ILE 120 HG13 0.27 0.01 -0.05 -0.04 1.21 1.40 2ok7E1 ILE 120 HG23 0.22 0.02 -0.12 -0.04 0.93 1.00 2ok7E1 ILE 120 HD13 0.13 0.05 -0.15 -0.04 0.88 0.86 2ok7E1 HIS 121 H 0.25 0.06 0.20 -0.55 8.41 8.38 2ok7E1 HIS 121 HA 0.11 0.13 0.73 -0.75 4.63 4.84 2ok7E1 HIS 121 HB2 0.16 -0.14 0.18 -0.04 3.26 3.42 2ok7E1 HIS 121 HB3 0.14 0.09 0.02 -0.04 3.20 3.40 2ok7E1 HIS 121 HD2 0.15 0.02 0.06 -0.04 6.97 7.15 2ok7E1 HIS 121 HE1 0.09 -0.02 0.00 -0.04 7.75 7.78 2ok7E1 LYS 122 H 0.16 0.20 0.25 -0.55 8.42 8.47 2ok7E1 LYS 122 HA -0.01 0.32 0.93 -0.75 4.32 4.80 2ok7E1 LYS 122 HB2 0.00 -0.06 0.02 -0.04 1.87 1.79 2ok7E1 LYS 122 HB3 -0.11 0.04 -0.05 -0.04 1.79 1.63 2ok7E1 LYS 122 HG2 -0.39 0.16 -0.06 -0.04 1.46 1.13 2ok7E1 LYS 122 HG3 0.04 -0.05 -0.43 -0.04 1.46 0.98 2ok7E1 LYS 122 HD2 -0.03 -0.01 -0.07 -0.04 1.69 1.53 2ok7E1 LYS 122 HD3 0.02 0.02 -0.09 -0.04 1.68 1.59 2ok7E1 LYS 122 HE2 0.14 -0.03 -0.12 -0.04 2.99 2.94 2ok7E1 LYS 122 HE3 0.04 0.02 -0.09 -0.04 2.99 2.92 2ok7E1 TYR 123 H -0.30 0.59 0.19 -0.55 8.29 8.22 2ok7E1 TYR 123 HA -0.00 0.03 0.50 -0.75 4.56 4.34 2ok7E1 TYR 123 HB2 0.01 -0.02 0.04 -0.04 3.06 3.05 2ok7E1 TYR 123 HB3 0.02 0.05 -0.03 -0.04 2.98 2.99 2ok7E1 TYR 123 HD2 0.02 -0.04 -0.28 -0.04 7.15 6.80 2ok7E1 TYR 123 HE2 0.04 -0.00 -0.21 -0.04 6.85 6.63 2ok7E1 GLU 124 H 0.08 0.13 0.06 -0.55 8.60 8.32 2ok7E1 GLU 124 HA 0.02 0.03 0.24 -0.75 4.29 3.81 2ok7E1 GLU 124 HB2 0.08 -0.04 0.00 -0.04 2.09 2.09 2ok7E1 GLU 124 HB3 0.04 0.15 -0.16 -0.04 1.99 1.97 2ok7E1 GLU 124 HG2 0.02 -0.00 0.00 -0.04 2.34 2.32 2ok7E1 GLU 124 HG3 -0.03 0.06 0.05 -0.04 2.34 2.37 2ok7E1 ASN 134 HA -0.22 -0.08 0.28 -0.75 4.76 4.00 2ok7E1 ASN 134 HB2 -1.04 0.14 0.22 -0.04 2.88 2.16 2ok7E1 ASN 134 HB3 -0.69 -0.01 -0.01 -0.04 2.79 2.03 2ok7E1 ASN 134 HD21 -0.09 -0.02 -0.04 -0.04 7.03 6.84 2ok7E1 ASN 134 HD22 -0.27 0.07 0.05 -0.04 7.74 7.55 2ok7E1 TYR 135 H 0.07 0.14 0.15 -0.55 8.29 8.10 2ok7E1 TYR 135 HA 0.03 0.26 1.04 -0.75 4.56 5.15 2ok7E1 TYR 135 HB2 0.07 -0.01 0.07 -0.04 3.06 3.15 2ok7E1 TYR 135 HB3 0.09 -0.06 -0.00 -0.04 2.98 2.97 2ok7E1 TYR 135 HD2 0.03 -0.02 -0.06 -0.04 7.15 7.06 2ok7E1 TYR 135 HE2 0.01 -0.01 -0.07 -0.04 6.85 6.74 2ok7E1 GLY 136 H 0.31 0.42 0.21 -0.55 8.43 8.83 2ok7E1 GLY 136 HA2 0.30 0.13 0.57 -0.51 4.01 4.50 2ok7E1 GLY 136 HA3 0.27 -0.06 0.36 -0.51 4.01 4.08 2ok7E1 TYR 137 H 0.30 0.14 0.17 -0.55 8.29 8.35 2ok7E1 TYR 137 HA 0.19 0.19 0.26 -0.75 4.56 4.44 2ok7E1 TYR 137 HB2 0.10 0.03 0.16 -0.04 3.06 3.31 2ok7E1 TYR 137 HB3 0.09 -0.07 0.18 -0.04 2.98 3.14 2ok7E1 TYR 137 HD2 0.10 -0.01 0.01 -0.04 7.15 7.20 2ok7E1 TYR 137 HE2 0.04 0.06 0.03 -0.04 6.85 6.94 2ok7E1 CYS 138 H 0.23 0.09 0.09 -0.55 8.50 8.36 2ok7E1 CYS 138 HA -0.03 0.17 0.62 -0.75 4.58 4.60 2ok7E1 CYS 138 HB2 0.18 0.06 0.15 -0.04 2.97 3.32 2ok7E1 CYS 138 HB3 0.26 -0.02 0.03 -0.04 2.97 3.20 2ok7E1 SER 139 H 0.21 -0.01 -0.29 -0.55 8.46 7.82 2ok7E1 SER 139 HA 0.12 0.09 0.33 -0.75 4.49 4.27 2ok7E1 SER 139 HB2 0.27 0.03 0.13 -0.04 3.95 4.34 2ok7E1 SER 139 HB3 0.23 0.04 0.17 -0.04 3.93 4.33 2ok7E1 GLY 140 H 0.15 0.53 -0.34 -0.55 8.43 8.22 2ok7E1 GLY 140 HA2 -0.20 0.06 0.51 -0.51 4.01 3.87 2ok7E1 GLY 140 HA3 0.08 0.13 0.23 -0.51 4.01 3.93 2ok7E1 PHE 141 H 0.08 0.23 -0.28 -0.55 8.34 7.81 2ok7E1 PHE 141 HA -0.27 0.10 0.54 -0.75 4.62 4.23 2ok7E1 PHE 141 HB2 -0.83 0.06 0.14 -0.04 3.15 2.48 2ok7E1 PHE 141 HB3 -0.33 0.11 0.23 -0.04 3.06 3.03 2ok7E1 PHE 141 HD2 -0.65 0.04 -0.02 -0.04 7.28 6.61 2ok7E1 PHE 141 HE2 -0.18 0.03 -0.00 -0.04 7.38 7.19 2ok7E1 PHE 141 HZ -0.09 0.21 0.12 -0.04 7.32 7.52 2ok7E1 ILE 142 H -0.06 0.47 -0.08 -0.55 8.25 8.03 2ok7E1 ILE 142 HA -0.40 0.05 0.35 -0.75 4.18 3.42 2ok7E1 ILE 142 HB -0.08 0.05 0.01 -0.04 1.89 1.83 2ok7E1 ILE 142 HG12 -0.02 0.27 -0.03 -0.04 1.49 1.67 2ok7E1 ILE 142 HG13 -0.18 -0.08 -0.12 -0.04 1.21 0.79 2ok7E1 ILE 142 HG23 -0.17 -0.01 -0.15 -0.04 0.93 0.55 2ok7E1 ILE 142 HD13 -0.15 -0.01 -0.14 -0.04 0.88 0.53 2ok7E1 LYS 143 H -0.16 0.35 -0.23 -0.55 8.42 7.83 2ok7E1 LYS 143 HA -0.28 0.01 0.39 -0.75 4.32 3.69 2ok7E1 LYS 143 HB2 -0.17 0.02 0.13 -0.04 1.87 1.81 2ok7E1 LYS 143 HB3 -0.33 0.06 0.12 -0.04 1.79 1.60 2ok7E1 LYS 143 HG2 -0.21 0.03 -0.11 -0.04 1.46 1.13 2ok7E1 LYS 143 HG3 -0.14 -0.06 -0.01 -0.04 1.46 1.21 2ok7E1 LYS 143 HD2 -1.35 -0.04 -0.04 -0.04 1.69 0.22 2ok7E1 LYS 143 HD3 -0.59 0.06 -0.05 -0.04 1.68 1.07 2ok7E1 LYS 143 HE2 -0.24 -0.01 -0.05 -0.04 2.99 2.65 2ok7E1 LYS 143 HE3 -0.17 0.02 -0.10 -0.04 2.99 2.70 2ok7E1 ASN 144 H -0.24 0.29 -0.40 -0.55 8.53 7.64 2ok7E1 ASN 144 HA -0.18 0.10 0.49 -0.75 4.76 4.42 2ok7E1 ASN 144 HB2 -0.11 0.06 0.08 -0.04 2.88 2.88 2ok7E1 ASN 144 HB3 -0.09 -0.07 0.12 -0.04 2.79 2.71 2ok7E1 ASN 144 HD21 -0.08 -0.10 0.01 -0.04 7.03 6.82 2ok7E1 ASN 144 HD22 0.02 -0.02 0.01 -0.04 7.74 7.71 2ok7E1 LEU 145 H -0.36 0.20 -0.60 -0.55 8.37 7.05 2ok7E1 LEU 145 HA -0.34 -0.03 0.48 -0.75 4.35 3.71 2ok7E1 LEU 145 HB2 -0.40 0.26 0.10 -0.04 1.64 1.56 2ok7E1 LEU 145 HB3 -0.32 -0.04 -0.13 -0.04 1.64 1.12 2ok7E1 LEU 145 HG -0.95 0.17 -0.05 -0.04 1.64 0.77 2ok7E1 LEU 145 HD13 -0.37 -0.05 -0.09 -0.04 0.93 0.38 2ok7E1 LEU 145 HD23 -0.45 -0.01 -0.06 -0.04 0.89 0.34 2ok7E1 LYS 146 H -0.18 0.10 0.16 -0.55 8.42 7.94 2ok7E1 LYS 146 HA -0.14 0.18 0.77 -0.75 4.32 4.37 2ok7E1 LYS 146 HB2 -0.09 -0.01 0.04 -0.04 1.87 1.76 2ok7E1 LYS 146 HB3 -0.08 -0.02 0.11 -0.04 1.79 1.76 2ok7E1 LYS 146 HG2 -0.09 -0.04 0.01 -0.04 1.46 1.31 2ok7E1 LYS 146 HG3 -0.12 0.15 -0.32 -0.04 1.46 1.14 2ok7E1 LYS 146 HD2 -0.06 -0.01 -0.01 -0.04 1.69 1.57 2ok7E1 LYS 146 HD3 -0.06 -0.04 0.00 -0.04 1.68 1.54 2ok7E1 LYS 146 HE2 -0.07 0.12 -0.03 -0.04 2.99 2.97 2ok7E1 LYS 146 HE3 -0.04 -0.04 -0.00 -0.04 2.99 2.86 2ok7E1 ILE 147 H -0.09 0.11 0.09 -0.55 8.25 7.81 2ok7E1 ILE 147 HA -0.09 0.02 0.43 -0.75 4.18 3.78 2ok7E1 ILE 147 HB -0.07 -0.03 0.12 -0.04 1.89 1.87 2ok7E1 ILE 147 HG12 -0.05 0.09 0.01 -0.04 1.49 1.50 2ok7E1 ILE 147 HG13 -0.06 0.00 -0.28 -0.04 1.21 0.83 2ok7E1 ILE 147 HG23 -0.05 0.01 -0.09 -0.04 0.93 0.76 2ok7E1 ILE 147 HD13 -0.07 -0.06 -0.10 -0.04 0.88 0.61 2ok7E1 ASN 148 H -0.07 0.50 0.24 -0.55 8.53 8.66 2ok7E1 ASN 148 HA -0.06 0.07 0.40 -0.75 4.76 4.41 2ok7E1 ASN 148 HB2 -0.04 -0.05 -0.10 -0.04 2.88 2.64 2ok7E1 ASN 148 HB3 -0.04 0.08 0.19 -0.04 2.79 2.98 2ok7E1 ASN 148 HD21 -0.03 -0.03 0.03 -0.04 7.03 6.96 2ok7E1 ASN 148 HD22 -0.03 0.01 0.07 -0.04 7.74 7.76 2ok7E1 ASP 149 H -0.09 0.09 -0.02 -0.55 8.40 7.83 2ok7E1 ASP 149 HA -0.05 0.20 0.87 -0.75 4.63 4.89 2ok7E1 ASP 149 HB2 -0.14 0.12 0.06 -0.04 2.71 2.71 2ok7E1 ASP 149 HB3 -0.10 0.04 0.01 -0.04 2.70 2.61 2ok7E1 ASP 150 H -0.01 0.16 0.17 -0.55 8.40 8.16 2ok7E1 ASP 150 HA -0.14 0.34 0.80 -0.75 4.63 4.88 2ok7E1 ASP 150 HB2 0.07 -0.01 0.18 -0.04 2.71 2.91 2ok7E1 ASP 150 HB3 -0.22 0.01 0.01 -0.04 2.70 2.46 2ok7E1 ILE 151 H -0.17 0.51 0.26 -0.55 8.25 8.30 2ok7E1 ILE 151 HA 0.15 0.17 0.67 -0.75 4.18 4.42 2ok7E1 ILE 151 HB -0.06 -0.02 -0.25 -0.04 1.89 1.51 2ok7E1 ILE 151 HG12 -0.11 -0.01 -0.20 -0.04 1.49 1.13 2ok7E1 ILE 151 HG13 -0.10 0.02 -0.28 -0.04 1.21 0.81 2ok7E1 ILE 151 HG23 0.11 0.01 -0.07 -0.04 0.93 0.94 2ok7E1 ILE 151 HD13 -0.14 -0.02 -0.33 -0.04 0.88 0.36 2ok7E1 TYR 152 H 0.19 0.24 0.09 -0.55 8.29 8.26 2ok7E1 TYR 152 HA -0.07 0.37 0.87 -0.75 4.56 4.98 2ok7E1 TYR 152 HB2 -0.17 -0.01 0.10 -0.04 3.06 2.93 2ok7E1 TYR 152 HB3 -0.25 0.02 -0.12 -0.04 2.98 2.58 2ok7E1 TYR 152 HD2 0.05 0.00 -0.25 -0.04 7.15 6.91 2ok7E1 TYR 152 HE2 0.15 0.08 -0.10 -0.04 6.85 6.94 2ok7E1 LEU 153 H -0.08 0.51 0.27 -0.55 8.37 8.52 2ok7E1 LEU 153 HA -0.02 0.37 0.84 -0.75 4.35 4.78 2ok7E1 LEU 153 HB2 -0.18 0.00 0.01 -0.04 1.64 1.43 2ok7E1 LEU 153 HB3 -0.26 -0.02 0.03 -0.04 1.64 1.34 2ok7E1 LEU 153 HG -0.23 0.07 -0.14 -0.04 1.64 1.31 2ok7E1 LEU 153 HD13 -0.70 -0.01 -0.14 -0.04 0.93 0.03 2ok7E1 LEU 153 HD23 -0.17 -0.02 -0.30 -0.04 0.89 0.35 2ok7E1 THR 154 H 0.15 0.24 0.23 -0.55 8.28 8.36 2ok7E1 THR 154 HA 0.21 0.17 0.87 -0.75 4.39 4.89 2ok7E1 THR 154 HB 0.22 0.12 -0.19 -0.04 4.32 4.42 2ok7E1 THR 154 HG23 0.05 0.05 -0.52 -0.04 1.22 0.76 2ok7E1 GLY 155 H 0.25 0.08 0.17 -0.55 8.43 8.39 2ok7E1 GLY 155 HA2 -0.00 -0.07 0.47 -0.51 4.01 3.90 2ok7E1 GLY 155 HA3 -0.18 -0.07 0.55 -0.51 4.01 3.80 2ok7E1 ALA 156 H -0.58 0.02 0.26 -0.55 8.40 7.55 2ok7E1 ALA 156 HA -0.10 0.23 0.67 -0.75 4.34 4.38 2ok7E1 ALA 156 HB3 -0.30 0.09 0.08 -0.04 1.41 1.23 2ok7E1 HIS 157 H -0.01 0.58 0.34 -0.55 8.41 8.77 2ok7E1 HIS 157 HA -0.21 0.20 1.07 -0.75 4.63 4.93 2ok7E1 HIS 157 HB2 -0.06 -0.04 -0.01 -0.04 3.26 3.11 2ok7E1 HIS 157 HB3 -0.09 -0.03 0.12 -0.04 3.20 3.16 2ok7E1 HIS 157 HD2 0.02 0.06 -0.20 -0.04 6.97 6.81 2ok7E1 HIS 157 HE1 -0.01 0.02 -0.09 -0.04 7.75 7.63 2ok7E1 GLY 158 H -0.16 0.10 0.16 -0.55 8.43 7.98 2ok7E1 GLY 158 HA2 -0.04 0.02 0.39 -0.51 4.01 3.87 2ok7E1 GLY 158 HA3 0.06 0.09 0.49 -0.51 4.01 4.14 2ok7E1 TYR 159 H 0.25 0.14 0.11 -0.55 8.29 8.24 2ok7E1 TYR 159 HA 0.25 0.20 0.63 -0.75 4.56 4.88 2ok7E1 TYR 159 HB2 0.17 0.01 0.12 -0.04 3.06 3.32 2ok7E1 TYR 159 HB3 0.16 0.05 0.20 -0.04 2.98 3.35 2ok7E1 TYR 159 HD2 0.12 -0.00 -0.01 -0.04 7.15 7.22 2ok7E1 TYR 159 HE2 0.06 -0.01 -0.02 -0.04 6.85 6.84 2ok7E1 PHE 160 H 0.37 0.14 -0.12 -0.55 8.34 8.19 2ok7E1 PHE 160 HA 0.27 0.15 0.55 -0.75 4.62 4.84 2ok7E1 PHE 160 HB2 0.17 -0.14 0.08 -0.04 3.15 3.21 2ok7E1 PHE 160 HB3 0.12 0.25 0.22 -0.04 3.06 3.60 2ok7E1 PHE 160 HD2 0.10 -0.00 -0.08 -0.04 7.28 7.26 2ok7E1 PHE 160 HE2 0.01 0.01 -0.24 -0.04 7.38 7.13 2ok7E1 PHE 160 HZ 0.52 -0.08 -0.31 -0.04 7.32 7.41 2ok7E1 ASN 161 H 0.12 0.34 -0.35 -0.55 8.53 8.10 2ok7E1 ASN 161 HA 0.12 0.30 0.69 -0.75 4.76 5.11 2ok7E1 ASN 161 HB2 0.03 0.02 -0.12 -0.04 2.88 2.77 2ok7E1 ASN 161 HB3 -0.05 0.03 0.02 -0.04 2.79 2.74 2ok7E1 ASN 161 HD21 0.17 0.05 -0.15 -0.04 7.03 7.05 2ok7E1 ASN 161 HD22 0.16 0.06 -0.12 -0.04 7.74 7.80 2ok7E1 LEU 162 H -0.18 0.14 0.13 -0.55 8.37 7.91 2ok7E1 LEU 162 HA -0.29 0.16 0.64 -0.75 4.35 4.11 2ok7E1 LEU 162 HB2 -0.25 -0.09 0.09 -0.04 1.64 1.35 2ok7E1 LEU 162 HB3 -0.25 0.10 0.05 -0.04 1.64 1.50 2ok7E1 LEU 162 HG -1.31 -0.00 0.03 -0.04 1.64 0.31 2ok7E1 LEU 162 HD13 -0.42 -0.02 0.03 -0.04 0.93 0.49 2ok7E1 LEU 162 HD23 -1.33 0.02 -0.03 -0.04 0.89 -0.49 2ok7E1 PRO 163 HA 0.01 0.12 0.69 -0.51 4.44 4.75 2ok7E1 PRO 163 HB2 0.03 -0.11 0.01 -0.04 2.28 2.17 2ok7E1 PRO 163 HB3 0.05 0.12 0.12 -0.04 2.02 2.26 2ok7E1 PRO 163 HG2 0.10 -0.05 0.06 -0.04 2.03 2.09 2ok7E1 PRO 163 HG3 0.10 0.14 0.07 -0.04 2.03 2.30 2ok7E1 PRO 163 HD2 0.15 0.06 0.22 -0.04 3.68 4.07 2ok7E1 PRO 163 HD3 0.11 0.26 0.15 -0.04 3.65 4.13 2ok7E1 ASN 164 H 0.00 0.18 0.13 -0.55 8.53 8.30 2ok7E1 ASN 164 HA -0.02 0.10 0.24 -0.75 4.76 4.32 2ok7E1 ASN 164 HB2 -0.01 0.02 0.11 -0.04 2.88 2.96 2ok7E1 ASN 164 HB3 -0.01 0.04 0.12 -0.04 2.79 2.91 2ok7E1 ASN 164 HD21 -0.00 0.01 -0.01 -0.04 7.03 6.99 2ok7E1 ASN 164 HD22 -0.01 0.02 0.01 -0.04 7.74 7.72 2ok7E1 ASP 165 H 0.00 0.09 -0.47 -0.55 8.40 7.48 2ok7E1 ASP 165 HA 0.00 0.15 0.54 -0.75 4.63 4.57 2ok7E1 ASP 165 HB2 0.00 0.05 -0.03 -0.04 2.71 2.69 2ok7E1 ASP 165 HB3 -0.00 0.02 0.07 -0.04 2.70 2.75 2ok7E1 ALA 166 H 0.00 0.36 -0.36 -0.55 8.40 7.86 2ok7E1 ALA 166 HA 0.08 0.02 0.10 -0.75 4.34 3.79 2ok7E1 ALA 166 HB3 -0.01 0.05 0.06 -0.04 1.41 1.47 2ok7E1 ILE 167 H -0.01 0.12 0.01 -0.55 8.25 7.82 2ok7E1 ILE 167 HA 0.15 0.16 0.69 -0.75 4.18 4.42 2ok7E1 ILE 167 HB -0.00 0.00 -0.00 -0.04 1.89 1.85 2ok7E1 ILE 167 HG12 -0.15 0.09 -0.01 -0.04 1.49 1.38 2ok7E1 ILE 167 HG13 -0.08 -0.14 0.03 -0.04 1.21 0.98 2ok7E1 ILE 167 HG23 0.04 0.03 -0.06 -0.04 0.93 0.90 2ok7E1 ILE 167 HD13 -0.06 0.01 -0.03 -0.04 0.88 0.76 2ok7E1 GLN 168 H 0.02 0.02 -0.20 -0.55 8.47 7.76 2ok7E1 GLN 168 HA 0.01 0.08 0.43 -0.75 4.36 4.13 2ok7E1 GLN 168 HB2 0.00 -0.01 0.09 -0.04 2.15 2.20 2ok7E1 GLN 168 HB3 0.00 0.01 -0.01 -0.04 2.02 1.98 2ok7E1 GLN 168 HG2 0.00 -0.01 0.02 -0.04 2.40 2.37 2ok7E1 GLN 168 HG3 0.01 0.02 0.03 -0.04 2.39 2.41 2ok7E1 GLN 168 HE21 0.00 -0.01 -0.02 -0.04 6.97 6.90 2ok7E1 GLN 168 HE22 0.01 0.02 -0.03 -0.04 7.69 7.65 2ok7E1 LYS 169 H 0.02 0.42 -0.14 -0.55 8.42 8.17 2ok7E1 LYS 169 HA -0.01 0.19 0.81 -0.75 4.32 4.55 2ok7E1 LYS 169 HB2 -0.01 -0.00 -0.05 -0.04 1.87 1.77 2ok7E1 LYS 169 HB3 -0.03 0.02 0.04 -0.04 1.79 1.78 2ok7E1 LYS 169 HG2 -0.01 -0.06 -0.18 -0.04 1.46 1.17 2ok7E1 LYS 169 HG3 -0.01 -0.08 -0.03 -0.04 1.46 1.30 2ok7E1 LYS 169 HD2 -0.02 -0.00 0.00 -0.04 1.69 1.63 2ok7E1 LYS 169 HD3 -0.01 0.10 0.00 -0.04 1.68 1.73 2ok7E1 LYS 169 HE2 -0.01 -0.02 -0.07 -0.04 2.99 2.85 2ok7E1 LYS 169 HE3 -0.01 -0.04 -0.03 -0.04 2.99 2.87 2ok7E1 ASN 170 H 0.06 0.10 -0.33 -0.55 8.53 7.81 2ok7E1 ASN 170 HA 0.14 0.06 0.35 -0.75 4.76 4.56 2ok7E1 ASN 170 HB2 -0.08 0.11 -0.03 -0.04 2.88 2.84 2ok7E1 ASN 170 HB3 -0.24 -0.05 0.01 -0.04 2.79 2.47 2ok7E1 ASN 170 HD21 -0.04 0.07 0.02 -0.04 7.03 7.04 2ok7E1 ASN 170 HD22 -0.06 -0.00 -0.08 -0.04 7.74 7.56 2ok7E1 THR 171 H 0.06 0.12 -0.05 -0.55 8.28 7.86 2ok7E1 THR 171 HA -0.16 0.13 0.31 -0.75 4.39 3.91 2ok7E1 THR 171 HB -0.70 -0.03 -0.07 -0.04 4.32 3.48 2ok7E1 THR 171 HG23 -0.25 0.03 0.05 -0.04 1.22 1.01 2ok7E1 ASN 172 H -0.26 0.24 0.20 -0.55 8.53 8.16 2ok7E1 ASN 172 HA -0.15 0.20 0.87 -0.75 4.76 4.93 2ok7E1 ASN 172 HB2 -0.13 0.12 0.06 -0.04 2.88 2.90 2ok7E1 ASN 172 HB3 -0.12 -0.02 0.04 -0.04 2.79 2.65 2ok7E1 ASN 172 HD21 -0.20 -0.01 0.09 -0.04 7.03 6.87 2ok7E1 ASN 172 HD22 -0.32 -0.02 0.04 -0.04 7.74 7.40 2ok7E1 PHE 173 H -0.05 0.62 0.39 -0.55 8.34 8.74 2ok7E1 PHE 173 HA -0.13 0.19 1.08 -0.75 4.62 5.01 2ok7E1 PHE 173 HB2 -0.51 -0.03 0.06 -0.04 3.15 2.63 2ok7E1 PHE 173 HB3 -1.04 -0.03 -0.08 -0.04 3.06 1.88 2ok7E1 PHE 173 HD2 0.07 0.08 -0.06 -0.04 7.28 7.33 2ok7E1 PHE 173 HE2 -0.06 -0.01 -0.05 -0.04 7.38 7.22 2ok7E1 PHE 173 HZ -0.13 -0.10 -0.03 -0.04 7.32 7.02 2ok7E1 ILE 174 H 0.07 0.64 0.26 -0.55 8.25 8.68 2ok7E1 ILE 174 HA -0.06 0.27 1.00 -0.75 4.18 4.63 2ok7E1 ILE 174 HB 0.18 -0.08 0.11 -0.04 1.89 2.06 2ok7E1 ILE 174 HG12 0.06 0.03 -0.05 -0.04 1.49 1.48 2ok7E1 ILE 174 HG13 -0.02 -0.04 -0.39 -0.04 1.21 0.71 2ok7E1 ILE 174 HG23 0.45 -0.01 -0.10 -0.04 0.93 1.22 2ok7E1 ILE 174 HD13 -0.18 -0.02 -0.14 -0.04 0.88 0.51 2ok7E1 PHE 175 H -0.09 0.72 0.34 -0.55 8.34 8.76 2ok7E1 PHE 175 HA -0.09 0.19 1.09 -0.75 4.62 5.05 2ok7E1 PHE 175 HB2 -0.41 -0.06 0.11 -0.04 3.15 2.75 2ok7E1 PHE 175 HB3 -1.92 -0.02 -0.02 -0.04 3.06 1.06 2ok7E1 PHE 175 HD2 -0.18 0.03 -0.12 -0.04 7.28 6.98 2ok7E1 PHE 175 HE2 -0.48 0.04 -0.13 -0.04 7.38 6.77 2ok7E1 PHE 175 HZ -0.86 0.02 -0.12 -0.04 7.32 6.32 2ok7E1 ILE 176 H 0.41 0.62 0.32 -0.55 8.25 9.04 2ok7E1 ILE 176 HA 0.37 0.31 1.13 -0.75 4.18 5.23 2ok7E1 ILE 176 HB 0.33 -0.06 0.20 -0.04 1.89 2.33 2ok7E1 ILE 176 HG12 0.42 0.03 -0.11 -0.04 1.49 1.79 2ok7E1 ILE 176 HG13 0.41 0.06 -0.24 -0.04 1.21 1.40 2ok7E1 ILE 176 HG23 0.23 -0.03 -0.07 -0.04 0.93 1.02 2ok7E1 ILE 176 HD13 0.23 -0.01 -0.10 -0.04 0.88 0.96 2ok7E1 ALA 177 H 0.39 0.61 0.39 -0.55 8.40 9.24 2ok7E1 ALA 177 HA 0.34 0.43 1.03 -0.75 4.34 5.38 2ok7E1 ALA 177 HB3 0.36 -0.02 -0.29 -0.04 1.41 1.41 2ok7E1 THR 178 H 0.20 0.43 0.40 -0.55 8.28 8.77 2ok7E1 THR 178 HA 0.35 0.35 0.82 -0.75 4.39 5.15 2ok7E1 THR 178 HB 0.28 0.06 0.15 -0.04 4.32 4.77 2ok7E1 THR 178 HG23 0.19 0.01 0.08 -0.04 1.22 1.46 2ok7E1 GLY 179 H 0.27 0.47 0.26 -0.55 8.43 8.88 2ok7E1 GLY 179 HA2 0.21 0.08 0.43 -0.51 4.01 4.23 2ok7E1 GLY 179 HA3 0.17 0.00 0.47 -0.51 4.01 4.14 2ok7E1 THR 180 H 0.17 0.18 0.29 -0.55 8.28 8.37 2ok7E1 THR 180 HA 0.18 0.10 0.53 -0.75 4.39 4.44 2ok7E1 THR 180 HB 0.18 0.07 0.19 -0.04 4.32 4.71 2ok7E1 THR 180 HG23 0.14 -0.02 0.01 -0.04 1.22 1.31 2ok7E1 GLY 181 H 0.15 0.55 -0.24 -0.55 8.43 8.34 2ok7E1 GLY 181 HA2 0.02 0.06 0.32 -0.51 4.01 3.89 2ok7E1 GLY 181 HA3 0.05 0.10 0.28 -0.51 4.01 3.93 2ok7E1 ILE 182 H 0.07 0.18 -0.61 -0.55 8.25 7.33 2ok7E1 ILE 182 HA -0.01 0.10 0.46 -0.75 4.18 3.98 2ok7E1 ILE 182 HB -0.68 -0.02 -0.07 -0.04 1.89 1.08 2ok7E1 ILE 182 HG12 -0.13 0.16 -0.11 -0.04 1.49 1.37 2ok7E1 ILE 182 HG13 -0.07 -0.10 -0.10 -0.04 1.21 0.90 2ok7E1 ILE 182 HG23 0.14 0.04 -0.14 -0.04 0.93 0.93 2ok7E1 ILE 182 HD13 -0.28 0.00 -0.11 -0.04 0.88 0.46 2ok7E1 SER 183 H -0.03 0.48 -0.20 -0.55 8.46 8.17 2ok7E1 SER 183 HA -0.16 -0.05 0.17 -0.75 4.49 3.70 2ok7E1 SER 183 HB2 -0.01 0.17 0.14 -0.04 3.95 4.21 2ok7E1 SER 183 HB3 -0.07 0.07 -0.25 -0.04 3.93 3.64 2ok7E1 PRO 184 HA -0.42 0.19 0.61 -0.51 4.44 4.31 2ok7E1 PRO 184 HB2 -0.69 0.09 -0.03 -0.04 2.28 1.62 2ok7E1 PRO 184 HB3 -0.20 0.07 0.12 -0.04 2.02 1.97 2ok7E1 PRO 184 HG2 -0.83 0.08 -0.02 -0.04 2.03 1.22 2ok7E1 PRO 184 HG3 -0.25 0.03 0.04 -0.04 2.03 1.81 2ok7E1 PRO 184 HD2 -0.35 0.16 -0.32 -0.04 3.68 3.13 2ok7E1 PRO 184 HD3 -0.20 0.03 0.02 -0.04 3.65 3.46 2ok7E1 TYR 185 H -0.66 0.32 -0.32 -0.55 8.29 7.09 2ok7E1 TYR 185 HA -1.01 0.07 0.41 -0.75 4.56 3.29 2ok7E1 TYR 185 HB2 -0.29 0.11 0.05 -0.04 3.06 2.89 2ok7E1 TYR 185 HB3 -0.49 -0.02 -0.03 -0.04 2.98 2.40 2ok7E1 TYR 185 HD2 -0.61 -0.04 -0.13 -0.04 7.15 6.34 2ok7E1 TYR 185 HE2 0.11 0.01 -0.32 -0.04 6.85 6.61 2ok7E1 ILE 186 H -0.24 0.47 -0.14 -0.55 8.25 7.79 2ok7E1 ILE 186 HA -0.10 0.02 0.42 -0.75 4.18 3.76 2ok7E1 ILE 186 HB -0.41 0.15 0.07 -0.04 1.89 1.67 2ok7E1 ILE 186 HG12 -0.14 0.13 -0.19 -0.04 1.49 1.26 2ok7E1 ILE 186 HG13 -0.37 -0.09 -0.14 -0.04 1.21 0.57 2ok7E1 ILE 186 HG23 -0.53 0.01 -0.11 -0.04 0.93 0.25 2ok7E1 ILE 186 HD13 0.03 0.00 -0.08 -0.04 0.88 0.79 2ok7E1 SER 187 H -0.29 0.41 -0.28 -0.55 8.46 7.76 2ok7E1 SER 187 HA -0.08 -0.01 0.16 -0.75 4.49 3.80 2ok7E1 SER 187 HB2 -0.00 0.06 -0.31 -0.04 3.95 3.66 2ok7E1 SER 187 HB3 -0.13 -0.04 -0.20 -0.04 3.93 3.52 2ok7E1 PHE 188 H -0.30 0.42 -0.33 -0.55 8.34 7.57 2ok7E1 PHE 188 HA -0.27 -0.01 0.46 -0.75 4.62 4.05 2ok7E1 PHE 188 HB2 -0.47 0.17 0.17 -0.04 3.15 2.99 2ok7E1 PHE 188 HB3 -0.45 -0.01 -0.05 -0.04 3.06 2.50 2ok7E1 PHE 188 HD2 -0.90 -0.10 -0.12 -0.04 7.28 6.12 2ok7E1 PHE 188 HE2 -0.77 0.13 -0.20 -0.04 7.38 6.50 2ok7E1 PHE 188 HZ -0.53 0.21 -0.21 -0.04 7.32 6.76 2ok7E1 LEU 189 H -0.10 0.55 -0.14 -0.55 8.37 8.14 2ok7E1 LEU 189 HA -0.21 0.05 0.33 -0.75 4.35 3.76 2ok7E1 LEU 189 HB2 -0.44 0.04 -0.02 -0.04 1.64 1.18 2ok7E1 LEU 189 HB3 -0.82 0.02 -0.01 -0.04 1.64 0.79 2ok7E1 LEU 189 HG -0.07 0.37 0.05 -0.04 1.64 1.95 2ok7E1 LEU 189 HD13 -0.00 -0.03 -0.13 -0.04 0.93 0.73 2ok7E1 LEU 189 HD23 0.14 -0.02 -0.11 -0.04 0.89 0.86 2ok7E1 LYS 190 H -0.05 0.42 -0.32 -0.55 8.42 7.91 2ok7E1 LYS 190 HA 0.29 0.02 0.47 -0.75 4.32 4.35 2ok7E1 LYS 190 HB2 -0.00 0.10 0.09 -0.04 1.87 2.01 2ok7E1 LYS 190 HB3 0.09 -0.12 -0.00 -0.04 1.79 1.72 2ok7E1 LYS 190 HG2 -0.10 -0.07 0.01 -0.04 1.46 1.25 2ok7E1 LYS 190 HG3 -0.07 0.07 -0.01 -0.04 1.46 1.41 2ok7E1 LYS 190 HD2 -0.14 0.13 -0.28 -0.04 1.69 1.36 2ok7E1 LYS 190 HD3 -0.03 -0.23 0.05 -0.04 1.68 1.43 2ok7E1 LYS 190 HE2 -0.29 -0.07 -0.04 -0.04 2.99 2.54 2ok7E1 LYS 190 HE3 -0.37 -0.04 -0.06 -0.04 2.99 2.48 2ok7E1 LYS 191 H -0.03 0.42 -0.29 -0.55 8.42 7.96 2ok7E1 LYS 191 HA 0.01 0.08 0.85 -0.75 4.32 4.50 2ok7E1 LYS 191 HB2 -0.02 -0.07 0.16 -0.04 1.87 1.90 2ok7E1 LYS 191 HB3 -0.10 0.13 0.18 -0.04 1.79 1.96 2ok7E1 LYS 191 HG2 -0.06 0.04 -0.02 -0.04 1.46 1.38 2ok7E1 LYS 191 HG3 -0.03 -0.10 0.09 -0.04 1.46 1.38 2ok7E1 LYS 191 HD2 -0.07 -0.05 0.06 -0.04 1.69 1.58 2ok7E1 LYS 191 HD3 -0.12 0.04 -0.03 -0.04 1.68 1.52 2ok7E1 LYS 191 HE2 -0.05 0.02 -0.00 -0.04 2.99 2.91 2ok7E1 LYS 191 HE3 -0.04 -0.03 0.04 -0.04 2.99 2.91 2ok7E1 LEU 192 H -0.22 0.60 0.10 -0.55 8.37 8.30 2ok7E1 LEU 192 HA -0.37 -0.01 0.29 -0.75 4.35 3.51 2ok7E1 LEU 192 HB2 -0.62 0.01 0.06 -0.04 1.64 1.05 2ok7E1 LEU 192 HB3 -1.23 0.03 -0.02 -0.04 1.64 0.38 2ok7E1 LEU 192 HG -0.45 0.10 0.04 -0.04 1.64 1.28 2ok7E1 LEU 192 HD13 -0.80 -0.00 -0.12 -0.04 0.93 -0.03 2ok7E1 LEU 192 HD23 -0.48 -0.02 -0.09 -0.04 0.89 0.26 2ok7E1 PHE 193 H -0.07 0.41 -0.22 -0.55 8.34 7.91 2ok7E1 PHE 193 HA -0.12 0.14 0.87 -0.75 4.62 4.75 2ok7E1 PHE 193 HB2 -0.03 0.04 -0.02 -0.04 3.15 3.09 2ok7E1 PHE 193 HB3 -0.21 0.06 0.06 -0.04 3.06 2.93 2ok7E1 PHE 193 HD2 -0.87 0.02 0.01 -0.04 7.28 6.40 2ok7E1 PHE 193 HE2 -0.25 -0.00 -0.06 -0.04 7.38 7.03 2ok7E1 PHE 193 HZ -0.01 0.08 -0.13 -0.04 7.32 7.22 2ok7E1 ALA 194 H 0.06 0.15 -0.56 -0.55 8.40 7.50 2ok7E1 ALA 194 HA 0.12 0.05 0.39 -0.75 4.34 4.16 2ok7E1 ALA 194 HB3 0.09 0.07 0.11 -0.04 1.41 1.65 2ok7E1 TYR 195 H 0.35 0.34 0.09 -0.55 8.29 8.52 2ok7E1 TYR 195 HA 0.22 0.14 0.40 -0.75 4.56 4.57 2ok7E1 TYR 195 HB2 0.45 0.04 0.04 -0.04 3.06 3.54 2ok7E1 TYR 195 HB3 0.16 -0.08 0.12 -0.04 2.98 3.14 2ok7E1 TYR 195 HD2 -0.01 0.03 -0.16 -0.04 7.15 6.97 2ok7E1 TYR 195 HE2 -0.41 -0.02 -0.10 -0.04 6.85 6.27 2ok7E1 ASP 196 H -0.37 0.37 0.05 -0.55 8.40 7.91 2ok7E1 ASP 196 HA -0.12 0.06 0.58 -0.75 4.63 4.39 2ok7E1 ASP 196 HB2 -0.05 0.24 -0.14 -0.04 2.71 2.72 2ok7E1 ASP 196 HB3 -0.16 -0.00 0.04 -0.04 2.70 2.54 2ok7E1 LYS 197 H -0.20 0.19 0.04 -0.55 8.42 7.89 2ok7E1 LYS 197 HA -0.51 0.15 0.42 -0.75 4.32 3.62 2ok7E1 LYS 197 HB2 -0.01 0.00 0.06 -0.04 1.87 1.88 2ok7E1 LYS 197 HB3 -0.07 0.01 -0.01 -0.04 1.79 1.68 2ok7E1 LYS 197 HG2 -0.09 0.03 0.03 -0.04 1.46 1.38 2ok7E1 LYS 197 HG3 -0.05 0.02 0.02 -0.04 1.46 1.40 2ok7E1 LYS 197 HD2 0.02 -0.01 -0.04 -0.04 1.69 1.62 2ok7E1 LYS 197 HD3 0.08 -0.01 -0.04 -0.04 1.68 1.67 2ok7E1 LYS 197 HE2 -0.01 0.00 -0.07 -0.04 2.99 2.87 2ok7E1 LYS 197 HE3 -0.02 0.02 -0.05 -0.04 2.99 2.91 2ok7E1 ASN 198 H -0.16 0.04 -0.22 -0.55 8.53 7.64 2ok7E1 ASN 198 HA -0.12 0.18 0.68 -0.75 4.76 4.75 2ok7E1 ASN 198 HB2 -0.06 0.04 -0.03 -0.04 2.88 2.78 2ok7E1 ASN 198 HB3 -0.04 0.04 0.09 -0.04 2.79 2.84 2ok7E1 ASN 198 HD21 -0.02 -0.00 -0.01 -0.04 7.03 6.96 2ok7E1 ASN 198 HD22 -0.03 0.06 -0.00 -0.04 7.74 7.72 2ok7E1 ASN 199 H -0.28 0.18 -0.50 -0.55 8.53 7.38 2ok7E1 ASN 199 HA -0.73 0.12 0.75 -0.75 4.76 4.16 2ok7E1 ASN 199 HB2 -0.12 0.00 0.03 -0.04 2.88 2.76 2ok7E1 ASN 199 HB3 -0.11 0.01 0.16 -0.04 2.79 2.80 2ok7E1 ASN 199 HD21 0.00 0.02 -0.13 -0.04 7.03 6.88 2ok7E1 ASN 199 HD22 -0.05 -0.09 -0.20 -0.04 7.74 7.36 2ok7E1 LEU 200 H -0.60 0.14 -0.15 -0.55 8.37 7.21 2ok7E1 LEU 200 HA -0.24 0.20 0.41 -0.75 4.35 3.97 2ok7E1 LEU 200 HB2 -0.24 -0.05 0.01 -0.04 1.64 1.31 2ok7E1 LEU 200 HB3 -0.20 0.03 0.04 -0.04 1.64 1.47 2ok7E1 LEU 200 HG -0.44 -0.01 0.03 -0.04 1.64 1.18 2ok7E1 LEU 200 HD13 -0.23 -0.02 0.02 -0.04 0.93 0.66 2ok7E1 LEU 200 HD23 -0.95 -0.02 -0.05 -0.04 0.89 -0.16 2ok7E1 TYR 201 H -1.02 -0.04 -0.18 -0.55 8.29 6.49 2ok7E1 TYR 201 HA 0.03 0.13 0.56 -0.75 4.56 4.52 2ok7E1 TYR 201 HB2 0.01 0.01 -0.06 -0.04 3.06 2.98 2ok7E1 TYR 201 HB3 0.00 -0.01 0.06 -0.04 2.98 2.99 2ok7E1 TYR 201 HD2 -0.00 0.03 -0.05 -0.04 7.15 7.09 2ok7E1 TYR 201 HE2 -0.01 0.01 0.01 -0.04 6.85 6.82 2ok7E1 ASN 202 H -0.02 0.02 -0.33 -0.55 8.53 7.65 2ok7E1 ASN 202 HA 0.14 -0.02 0.38 -0.75 4.76 4.50 2ok7E1 ASN 202 HB2 0.04 0.22 0.03 -0.04 2.88 3.13 2ok7E1 ASN 202 HB3 0.09 -0.05 -0.05 -0.04 2.79 2.74 2ok7E1 ASN 202 HD21 0.16 -0.02 -0.03 -0.04 7.03 7.10 2ok7E1 ASN 202 HD22 0.14 0.01 -0.00 -0.04 7.74 7.85 2ok7E1 ARG 203 H 0.10 -0.04 0.11 -0.55 8.46 8.07 2ok7E1 ARG 203 HA 0.15 0.24 0.60 -0.75 4.34 4.57 2ok7E1 ARG 203 HB2 0.08 0.01 0.15 -0.04 1.90 2.10 2ok7E1 ARG 203 HB3 0.10 -0.25 0.25 -0.04 1.80 1.86 2ok7E1 ARG 203 HG2 0.11 -0.04 0.05 -0.04 1.67 1.76 2ok7E1 ARG 203 HG3 0.20 0.05 -0.05 -0.04 1.67 1.83 2ok7E1 ARG 203 HD2 0.06 -0.05 0.04 -0.04 3.22 3.23 2ok7E1 ARG 203 HD3 0.11 -0.01 0.03 -0.04 3.22 3.31 2ok7E1 ASN 204 H 0.11 -0.01 0.10 -0.55 8.53 8.19 2ok7E1 ASN 204 HA 0.10 -0.07 0.30 -0.75 4.76 4.33 2ok7E1 ASN 204 HB2 0.11 0.23 -0.20 -0.04 2.88 2.98 2ok7E1 ASN 204 HB3 0.09 -0.00 0.16 -0.04 2.79 2.99 2ok7E1 ASN 204 HD21 0.05 -0.05 -0.01 -0.04 7.03 6.98 2ok7E1 ASN 204 HD22 0.05 0.03 -0.00 -0.04 7.74 7.78 2ok7E1 SER 205 H 0.15 0.09 -0.09 -0.55 8.46 8.06 2ok7E1 SER 205 HA 0.10 0.12 0.72 -0.75 4.49 4.67 2ok7E1 SER 205 HB2 0.27 0.31 -0.12 -0.04 3.95 4.36 2ok7E1 SER 205 HB3 0.30 -0.05 0.04 -0.04 3.93 4.17 2ok7E1 ASN 206 H 0.05 0.20 0.08 -0.55 8.53 8.31 2ok7E1 ASN 206 HA 0.05 0.17 0.77 -0.75 4.76 4.99 2ok7E1 ASN 206 HB2 0.03 -0.01 0.06 -0.04 2.88 2.92 2ok7E1 ASN 206 HB3 0.03 0.05 0.14 -0.04 2.79 2.96 2ok7E1 ASN 206 HD21 0.03 -0.03 -0.06 -0.04 7.03 6.94 2ok7E1 ASN 206 HD22 0.03 0.01 -0.04 -0.04 7.74 7.69 2ok7E1 TYR 207 H 0.07 0.12 -0.17 -0.55 8.29 7.76 2ok7E1 TYR 207 HA -0.08 0.14 0.83 -0.75 4.56 4.69 2ok7E1 TYR 207 HB2 -0.20 -0.08 0.11 -0.04 3.06 2.84 2ok7E1 TYR 207 HB3 -0.42 0.19 0.20 -0.04 2.98 2.92 2ok7E1 TYR 207 HD2 -0.50 0.02 -0.03 -0.04 7.15 6.60 2ok7E1 TYR 207 HE2 -0.08 0.11 -0.15 -0.04 6.85 6.69 2ok7E1 THR 208 H -0.32 0.21 0.05 -0.55 8.28 7.67 2ok7E1 THR 208 HA -0.18 0.22 0.78 -0.75 4.39 4.46 2ok7E1 THR 208 HB -0.05 -0.01 0.16 -0.04 4.32 4.38 2ok7E1 THR 208 HG23 0.03 -0.01 -0.17 -0.04 1.22 1.04 2ok7E1 GLY 209 H -1.39 0.10 -0.11 -0.55 8.43 6.49 2ok7E1 GLY 209 HA2 -0.21 0.18 0.81 -0.51 4.01 4.27 2ok7E1 GLY 209 HA3 -0.45 0.15 0.20 -0.51 4.01 3.39 2ok7E1 TYR 210 H -0.01 0.13 0.15 -0.55 8.29 8.00 2ok7E1 TYR 210 HA -0.03 0.34 0.89 -0.75 4.56 5.00 2ok7E1 TYR 210 HB2 -0.20 0.00 0.02 -0.04 3.06 2.85 2ok7E1 TYR 210 HB3 -0.23 -0.07 0.00 -0.04 2.98 2.64 2ok7E1 TYR 210 HD2 -0.10 0.03 -0.23 -0.04 7.15 6.81 2ok7E1 TYR 210 HE2 -0.04 -0.03 -0.20 -0.04 6.85 6.54 2ok7E1 ILE 211 H -0.45 0.55 0.25 -0.55 8.25 8.06 2ok7E1 ILE 211 HA -0.09 0.21 1.04 -0.75 4.18 4.59 2ok7E1 ILE 211 HB -0.04 0.04 0.22 -0.04 1.89 2.07 2ok7E1 ILE 211 HG12 0.06 -0.05 -0.07 -0.04 1.49 1.39 2ok7E1 ILE 211 HG13 0.22 0.06 -0.43 -0.04 1.21 1.02 2ok7E1 ILE 211 HG23 -0.20 -0.05 -0.21 -0.04 0.93 0.44 2ok7E1 ILE 211 HD13 0.14 -0.01 -0.12 -0.04 0.88 0.85 2ok7E1 THR 212 H -0.12 0.73 0.37 -0.55 8.28 8.71 2ok7E1 THR 212 HA -0.08 0.30 1.08 -0.75 4.39 4.93 2ok7E1 THR 212 HB 0.06 -0.07 0.17 -0.04 4.32 4.44 2ok7E1 THR 212 HG23 -0.09 -0.01 -0.06 -0.04 1.22 1.02 2ok7E1 ILE 213 H -0.15 0.74 0.41 -0.55 8.25 8.69 2ok7E1 ILE 213 HA 0.02 0.27 1.15 -0.75 4.18 4.87 2ok7E1 ILE 213 HB -0.05 -0.07 0.08 -0.04 1.89 1.81 2ok7E1 ILE 213 HG12 0.20 0.01 -0.16 -0.04 1.49 1.50 2ok7E1 ILE 213 HG13 -0.02 -0.01 -0.38 -0.04 1.21 0.76 2ok7E1 ILE 213 HG23 0.08 -0.02 -0.19 -0.04 0.93 0.76 2ok7E1 ILE 213 HD13 0.09 -0.00 -0.16 -0.04 0.88 0.77 2ok7E1 TYR 214 H 0.27 0.78 0.39 -0.55 8.29 9.18 2ok7E1 TYR 214 HA 0.17 0.20 0.95 -0.75 4.56 5.13 2ok7E1 TYR 214 HB2 0.19 -0.03 0.22 -0.04 3.06 3.40 2ok7E1 TYR 214 HB3 0.15 -0.06 0.03 -0.04 2.98 3.06 2ok7E1 TYR 214 HD2 0.14 0.01 -0.09 -0.04 7.15 7.17 2ok7E1 TYR 214 HE2 0.02 0.03 -0.12 -0.04 6.85 6.74 2ok7E1 TYR 215 H 0.27 0.60 0.24 -0.55 8.29 8.85 2ok7E1 TYR 215 HA 0.24 0.24 1.06 -0.75 4.56 5.34 2ok7E1 TYR 215 HB2 0.17 0.03 -0.24 -0.04 3.06 2.98 2ok7E1 TYR 215 HB3 0.18 0.04 0.06 -0.04 2.98 3.21 2ok7E1 TYR 215 HD2 0.40 0.11 -0.16 -0.04 7.15 7.46 2ok7E1 TYR 215 HE2 0.24 -0.04 -0.14 -0.04 6.85 6.86 2ok7E1 GLY 216 H 0.36 0.70 0.42 -0.55 8.43 9.36 2ok7E1 GLY 216 HA2 0.11 0.30 1.06 -0.51 4.01 4.97 2ok7E1 GLY 216 HA3 0.18 -0.10 0.49 -0.51 4.01 4.08 2ok7E1 VAL 217 H 0.06 0.37 0.16 -0.55 8.24 8.27 2ok7E1 VAL 217 HA 0.10 0.07 0.54 -0.75 4.13 4.09 2ok7E1 VAL 217 HB 0.07 -0.25 0.13 -0.04 2.12 2.03 2ok7E1 VAL 217 HG13 -0.10 0.05 0.05 -0.04 0.97 0.92 2ok7E1 VAL 217 HG23 -0.10 0.04 -0.30 -0.04 0.95 0.55 2ok7E1 TYR 218 H 0.22 0.11 0.16 -0.55 8.29 8.22 2ok7E1 TYR 218 HA 0.14 0.07 0.55 -0.75 4.56 4.57 2ok7E1 TYR 218 HB2 0.06 0.02 0.15 -0.04 3.06 3.25 2ok7E1 TYR 218 HB3 0.00 -0.08 0.20 -0.04 2.98 3.05 2ok7E1 TYR 218 HD2 -0.00 -0.03 -0.04 -0.04 7.15 7.04 2ok7E1 TYR 218 HE2 -0.13 0.06 -0.02 -0.04 6.85 6.72 2ok7E1 ASN 219 H 0.10 -0.02 0.05 -0.55 8.53 8.13 2ok7E1 ASN 219 HA -0.47 0.27 0.58 -0.75 4.76 4.39 2ok7E1 ASN 219 HB2 -0.32 -0.12 0.24 -0.04 2.88 2.63 2ok7E1 ASN 219 HB3 -0.22 0.20 -0.00 -0.04 2.79 2.73 2ok7E1 ASN 219 HD21 0.02 0.44 0.18 -0.04 7.03 7.63 2ok7E1 ASN 219 HD22 -0.10 0.05 0.03 -0.04 7.74 7.68 2ok7E1 GLU 220 H -0.59 0.26 0.14 -0.55 8.60 7.86 2ok7E1 GLU 220 HA -0.33 0.15 0.53 -0.75 4.29 3.88 2ok7E1 GLU 220 HB2 -0.38 0.05 0.15 -0.04 2.09 1.86 2ok7E1 GLU 220 HB3 -0.20 0.01 0.06 -0.04 1.99 1.82 2ok7E1 GLU 220 HG2 -0.12 0.01 0.07 -0.04 2.34 2.26 2ok7E1 GLU 220 HG3 -0.10 0.06 0.02 -0.04 2.34 2.28 2ok7E1 ASP 221 H -0.15 0.10 -0.13 -0.55 8.40 7.67 2ok7E1 ASP 221 HA -0.07 0.18 0.35 -0.75 4.63 4.34 2ok7E1 ASP 221 HB2 -0.07 0.08 -0.24 -0.04 2.71 2.44 2ok7E1 ASP 221 HB3 -0.06 0.08 -0.05 -0.04 2.70 2.62 2ok7E1 SER 222 H -0.04 0.07 -0.53 -0.55 8.46 7.41 2ok7E1 SER 222 HA 0.00 0.22 0.75 -0.75 4.49 4.71 2ok7E1 SER 222 HB2 0.08 -0.16 0.10 -0.04 3.95 3.94 2ok7E1 SER 222 HB3 0.07 -0.00 0.19 -0.04 3.93 4.14 2ok7E1 ILE 223 H -0.00 0.29 -0.37 -0.55 8.25 7.61 2ok7E1 ILE 223 HA 0.15 -0.01 0.46 -0.75 4.18 4.02 2ok7E1 ILE 223 HB 0.02 0.12 0.12 -0.04 1.89 2.11 2ok7E1 ILE 223 HG12 0.00 -0.04 -0.06 -0.04 1.49 1.35 2ok7E1 ILE 223 HG13 0.02 0.04 0.05 -0.04 1.21 1.27 2ok7E1 ILE 223 HG23 0.35 -0.01 -0.25 -0.04 0.93 0.98 2ok7E1 ILE 223 HD13 -0.40 0.01 0.01 -0.04 0.88 0.46 2ok7E1 LEU 224 H 0.48 0.14 0.11 -0.55 8.37 8.55 2ok7E1 LEU 224 HA 0.04 0.12 0.45 -0.75 4.35 4.21 2ok7E1 LEU 224 HB2 0.30 0.04 0.02 -0.04 1.64 1.95 2ok7E1 LEU 224 HB3 0.07 -0.04 -0.08 -0.04 1.64 1.55 2ok7E1 LEU 224 HG 0.17 0.17 -0.09 -0.04 1.64 1.85 2ok7E1 LEU 224 HD13 0.15 0.04 -0.24 -0.04 0.93 0.84 2ok7E1 LEU 224 HD23 -0.03 0.00 -0.22 -0.04 0.89 0.60 2ok7E1 TYR 225 H -0.22 0.15 0.09 -0.55 8.29 7.76 2ok7E1 TYR 225 HA 0.01 0.02 0.30 -0.75 4.56 4.13 2ok7E1 TYR 225 HB2 0.04 0.18 -0.02 -0.04 3.06 3.22 2ok7E1 TYR 225 HB3 0.02 -0.06 0.14 -0.04 2.98 3.03 2ok7E1 TYR 225 HD2 -0.01 -0.02 -0.17 -0.04 7.15 6.91 2ok7E1 TYR 225 HE2 0.04 0.00 -0.09 -0.04 6.85 6.76 2ok7E1 LEU 226 H 0.06 0.24 -0.10 -0.55 8.37 8.02 2ok7E1 LEU 226 HA 0.16 0.12 0.28 -0.75 4.35 4.15 2ok7E1 LEU 226 HB2 0.06 0.20 0.01 -0.04 1.64 1.87 2ok7E1 LEU 226 HB3 0.03 -0.03 0.08 -0.04 1.64 1.68 2ok7E1 LEU 226 HG 0.06 -0.03 -0.25 -0.04 1.64 1.37 2ok7E1 LEU 226 HD13 0.03 0.01 -0.03 -0.04 0.93 0.90 2ok7E1 LEU 226 HD23 0.00 0.01 -0.05 -0.04 0.89 0.81 2ok7E1 ASN 227 H 0.04 0.11 -0.10 -0.55 8.53 8.03 2ok7E1 ASN 227 HA 0.05 0.10 0.29 -0.75 4.76 4.44 2ok7E1 ASN 227 HB2 0.02 -0.07 0.02 -0.04 2.88 2.80 2ok7E1 ASN 227 HB3 0.01 0.08 -0.07 -0.04 2.79 2.77 2ok7E1 ASN 227 HD21 -0.03 0.05 -0.01 -0.04 7.03 7.00 2ok7E1 ASN 227 HD22 -0.03 -0.00 -0.02 -0.04 7.74 7.64 2ok7E1 GLU 228 H 0.09 0.06 -0.43 -0.55 8.60 7.78 2ok7E1 GLU 228 HA -0.09 0.11 0.40 -0.75 4.29 3.95 2ok7E1 GLU 228 HB2 0.09 0.06 0.05 -0.04 2.09 2.25 2ok7E1 GLU 228 HB3 0.03 0.07 -0.06 -0.04 1.99 1.98 2ok7E1 GLU 228 HG2 -0.27 0.06 -0.05 -0.04 2.34 2.04 2ok7E1 GLU 228 HG3 -0.33 0.04 -0.07 -0.04 2.34 1.94 2ok7E1 LEU 229 H 0.17 0.43 -0.09 -0.55 8.37 8.33 2ok7E1 LEU 229 HA 0.28 0.05 0.39 -0.75 4.35 4.31 2ok7E1 LEU 229 HB2 0.25 0.07 0.09 -0.04 1.64 2.01 2ok7E1 LEU 229 HB3 0.27 -0.02 -0.06 -0.04 1.64 1.78 2ok7E1 LEU 229 HG 0.20 0.07 0.01 -0.04 1.64 1.88 2ok7E1 LEU 229 HD13 0.30 -0.02 -0.14 -0.04 0.93 1.03 2ok7E1 LEU 229 HD23 0.16 -0.01 -0.10 -0.04 0.89 0.89 2ok7E1 GLU 230 H 0.13 0.62 -0.17 -0.55 8.60 8.64 2ok7E1 GLU 230 HA 0.11 0.05 0.45 -0.75 4.29 4.15 2ok7E1 GLU 230 HB2 0.08 0.07 -0.00 -0.04 2.09 2.20 2ok7E1 GLU 230 HB3 0.07 -0.02 -0.02 -0.04 1.99 1.98 2ok7E1 GLU 230 HG2 0.12 -0.02 -0.03 -0.04 2.34 2.38 2ok7E1 GLU 230 HG3 0.07 -0.08 -0.15 -0.04 2.34 2.13 2ok7E1 TYR 231 H 0.12 0.28 -0.35 -0.55 8.29 7.79 2ok7E1 TYR 231 HA -0.07 0.04 0.49 -0.75 4.56 4.27 2ok7E1 TYR 231 HB2 -0.09 0.01 0.12 -0.04 3.06 3.05 2ok7E1 TYR 231 HB3 -0.30 0.07 0.20 -0.04 2.98 2.91 2ok7E1 TYR 231 HD2 -0.56 -0.03 -0.07 -0.04 7.15 6.45 2ok7E1 TYR 231 HE2 -0.02 0.04 -0.06 -0.04 6.85 6.78 2ok7E1 PHE 232 H 0.01 0.55 -0.04 -0.55 8.34 8.31 2ok7E1 PHE 232 HA -0.09 0.09 0.30 -0.75 4.62 4.16 2ok7E1 PHE 232 HB2 0.04 0.01 0.04 -0.04 3.15 3.20 2ok7E1 PHE 232 HB3 -0.12 0.03 -0.06 -0.04 3.06 2.87 2ok7E1 PHE 232 HD2 0.06 0.01 -0.14 -0.04 7.28 7.17 2ok7E1 PHE 232 HE2 0.19 0.01 -0.15 -0.04 7.38 7.39 2ok7E1 PHE 232 HZ 0.17 -0.08 -0.25 -0.04 7.32 7.13 2ok7E1 GLN 233 H 0.10 0.35 -0.35 -0.55 8.47 8.03 2ok7E1 GLN 233 HA 0.01 0.11 0.40 -0.75 4.36 4.12 2ok7E1 GLN 233 HB2 0.07 0.03 0.06 -0.04 2.15 2.28 2ok7E1 GLN 233 HB3 0.05 0.04 0.07 -0.04 2.02 2.13 2ok7E1 GLN 233 HG2 0.02 -0.01 -0.11 -0.04 2.40 2.26 2ok7E1 GLN 233 HG3 0.00 0.07 0.05 -0.04 2.39 2.47 2ok7E1 GLN 233 HE21 0.16 -0.05 -0.03 -0.04 6.97 7.01 2ok7E1 GLN 233 HE22 0.12 0.03 -0.04 -0.04 7.69 7.76 2ok7E1 LYS 234 H -0.06 0.37 -0.24 -0.55 8.42 7.94 2ok7E1 LYS 234 HA -0.06 0.02 0.53 -0.75 4.32 4.05 2ok7E1 LYS 234 HB2 -0.04 0.08 0.17 -0.04 1.87 2.03 2ok7E1 LYS 234 HB3 -0.15 0.07 0.14 -0.04 1.79 1.81 2ok7E1 LYS 234 HG2 -0.08 0.01 -0.03 -0.04 1.46 1.32 2ok7E1 LYS 234 HG3 -0.04 -0.06 0.06 -0.04 1.46 1.39 2ok7E1 LYS 234 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.63 2ok7E1 LYS 234 HD3 -0.04 0.00 -0.03 -0.04 1.68 1.58 2ok7E1 LYS 234 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.93 2ok7E1 LYS 234 HE3 0.00 -0.05 -0.01 -0.04 2.99 2.89 2ok7E1 MET 235 H -0.34 0.55 -0.07 -0.55 8.47 8.06 2ok7E1 MET 235 HA -0.37 0.09 0.55 -0.75 4.52 4.03 2ok7E1 MET 235 HB2 -0.99 0.06 0.01 -0.04 2.15 1.19 2ok7E1 MET 235 HB3 -0.93 0.03 0.06 -0.04 2.03 1.15 2ok7E1 MET 235 HG2 -0.47 -0.10 -0.06 -0.04 2.63 1.95 2ok7E1 MET 235 HG3 -1.02 -0.02 -0.00 -0.04 2.56 1.48 2ok7E1 MET 235 HE3 -0.15 0.01 0.04 -0.04 2.10 1.96 2ok7E1 TYR 236 H -0.15 0.36 -0.30 -0.55 8.29 7.65 2ok7E1 TYR 236 HA -0.08 0.10 0.48 -0.75 4.56 4.30 2ok7E1 TYR 236 HB2 -0.46 0.04 0.15 -0.04 3.06 2.75 2ok7E1 TYR 236 HB3 -0.14 -0.07 0.14 -0.04 2.98 2.87 2ok7E1 TYR 236 HD2 -0.11 -0.07 -0.01 -0.04 7.15 6.92 2ok7E1 TYR 236 HE2 0.20 -0.07 -0.05 -0.04 6.85 6.88 2ok7E1 PRO 237 HA -0.02 0.18 0.37 -0.51 4.44 4.46 2ok7E1 PRO 237 HB2 0.00 -0.06 0.05 -0.04 2.28 2.23 2ok7E1 PRO 237 HB3 -0.02 0.21 0.18 -0.04 2.02 2.36 2ok7E1 PRO 237 HG2 -0.01 -0.06 0.04 -0.04 2.03 1.97 2ok7E1 PRO 237 HG3 -0.04 0.08 0.07 -0.04 2.03 2.10 2ok7E1 PRO 237 HD2 -0.03 0.05 -0.03 -0.04 3.68 3.63 2ok7E1 PRO 237 HD3 -0.10 0.26 -0.24 -0.04 3.65 3.53 2ok7E1 ASN 238 H 0.04 0.14 -0.18 -0.55 8.53 7.99 2ok7E1 ASN 238 HA 0.11 0.13 0.63 -0.75 4.76 4.88 2ok7E1 ASN 238 HB2 0.07 0.02 0.01 -0.04 2.88 2.94 2ok7E1 ASN 238 HB3 0.09 0.01 0.12 -0.04 2.79 2.97 2ok7E1 ASN 238 HD21 0.03 -0.03 -0.01 -0.04 7.03 6.98 2ok7E1 ASN 238 HD22 0.05 0.01 0.01 -0.04 7.74 7.77 2ok7E1 ASN 239 H -0.02 0.25 -0.38 -0.55 8.53 7.83 2ok7E1 ASN 239 HA -0.09 0.17 0.83 -0.75 4.76 4.92 2ok7E1 ASN 239 HB2 0.20 0.06 0.02 -0.04 2.88 3.12 2ok7E1 ASN 239 HB3 0.23 0.08 0.10 -0.04 2.79 3.16 2ok7E1 ASN 239 HD21 0.03 -0.07 -0.16 -0.04 7.03 6.79 2ok7E1 ASN 239 HD22 -0.01 0.19 -0.20 -0.04 7.74 7.68 2ok7E1 ILE 240 H -0.17 0.22 0.11 -0.55 8.25 7.86 2ok7E1 ILE 240 HA -0.32 0.20 0.95 -0.75 4.18 4.24 2ok7E1 ILE 240 HB -0.02 0.04 -0.22 -0.04 1.89 1.65 2ok7E1 ILE 240 HG12 -0.03 -0.09 -0.17 -0.04 1.49 1.16 2ok7E1 ILE 240 HG13 -0.06 0.05 0.05 -0.04 1.21 1.21 2ok7E1 ILE 240 HG23 -0.02 0.02 -0.26 -0.04 0.93 0.63 2ok7E1 ILE 240 HD13 0.06 -0.03 -0.13 -0.04 0.88 0.74 2ok7E1 ASN 241 H -0.21 0.55 0.29 -0.55 8.53 8.61 2ok7E1 ASN 241 HA -0.12 0.11 0.81 -0.75 4.76 4.81 2ok7E1 ASN 241 HB2 0.04 0.11 -0.16 -0.04 2.88 2.83 2ok7E1 ASN 241 HB3 0.05 -0.03 0.12 -0.04 2.79 2.89 2ok7E1 ASN 241 HD21 -0.12 -0.05 -0.01 -0.04 7.03 6.81 2ok7E1 ASN 241 HD22 -0.06 0.12 0.14 -0.04 7.74 7.90 2ok7E1 ILE 242 H -0.20 0.24 0.13 -0.55 8.25 7.86 2ok7E1 ILE 242 HA -0.24 0.26 1.19 -0.75 4.18 4.64 2ok7E1 ILE 242 HB -0.10 0.00 -0.15 -0.04 1.89 1.60 2ok7E1 ILE 242 HG12 -0.90 -0.07 -0.32 -0.04 1.49 0.16 2ok7E1 ILE 242 HG13 -0.34 0.15 -0.16 -0.04 1.21 0.82 2ok7E1 ILE 242 HG23 -0.04 0.00 -0.04 -0.04 0.93 0.81 2ok7E1 ILE 242 HD13 0.04 -0.02 -0.15 -0.04 0.88 0.70 2ok7E1 HIS 243 H -0.17 0.71 0.38 -0.55 8.41 8.79 2ok7E1 HIS 243 HA -0.13 0.14 0.92 -0.75 4.63 4.80 2ok7E1 HIS 243 HB2 0.02 -0.06 0.15 -0.04 3.26 3.33 2ok7E1 HIS 243 HB3 0.04 0.01 0.01 -0.04 3.20 3.22 2ok7E1 HIS 243 HD2 -0.58 0.08 -0.07 -0.04 6.97 6.35 2ok7E1 HIS 243 HE1 0.05 0.01 -0.06 -0.04 7.75 7.70 2ok7E1 TYR 244 H 0.01 0.21 0.17 -0.55 8.29 8.13 2ok7E1 TYR 244 HA 0.01 0.26 1.03 -0.75 4.56 5.11 2ok7E1 TYR 244 HB2 -0.41 -0.00 0.07 -0.04 3.06 2.67 2ok7E1 TYR 244 HB3 -0.52 -0.04 -0.07 -0.04 2.98 2.31 2ok7E1 TYR 244 HD2 0.10 0.01 -0.05 -0.04 7.15 7.18 2ok7E1 TYR 244 HE2 0.30 0.01 -0.11 -0.04 6.85 7.01 2ok7E1 VAL 245 H 0.03 0.67 0.27 -0.55 8.24 8.66 2ok7E1 VAL 245 HA -0.12 0.20 0.85 -0.75 4.13 4.31 2ok7E1 VAL 245 HB 0.16 -0.14 0.06 -0.04 2.12 2.16 2ok7E1 VAL 245 HG13 0.25 0.03 -0.43 -0.04 0.97 0.77 2ok7E1 VAL 245 HG23 0.18 0.01 -0.25 -0.04 0.95 0.85 2ok7E1 PHE 246 H -0.25 0.23 -0.01 -0.55 8.34 7.76 2ok7E1 PHE 246 HA 0.02 0.18 0.60 -0.75 4.62 4.66 2ok7E1 PHE 246 HB2 -0.01 0.07 0.16 -0.04 3.15 3.33 2ok7E1 PHE 246 HB3 -0.02 0.11 0.11 -0.04 3.06 3.22 2ok7E1 PHE 246 HD2 0.00 0.05 -0.23 -0.04 7.28 7.07 2ok7E1 PHE 246 HE2 -0.07 0.05 -0.15 -0.04 7.38 7.17 2ok7E1 PHE 246 HZ -0.16 0.04 -0.09 -0.04 7.32 7.07 2ok7E1 SER 247 H 0.17 0.47 0.40 -0.55 8.46 8.95 2ok7E1 SER 247 HA 0.05 0.19 0.39 -0.75 4.49 4.37 2ok7E1 SER 247 HB2 0.15 -0.04 0.13 -0.04 3.95 4.15 2ok7E1 SER 247 HB3 0.27 -0.04 0.13 -0.04 3.93 4.24 2ok7E1 TYR 248 H -0.10 0.29 -0.20 -0.55 8.29 7.73 2ok7E1 TYR 248 HA -0.29 0.09 0.43 -0.75 4.56 4.04 2ok7E1 TYR 248 HB2 -1.38 -0.08 0.05 -0.04 3.06 1.61 2ok7E1 TYR 248 HB3 -0.40 0.05 0.09 -0.04 2.98 2.68 2ok7E1 TYR 248 HD2 -0.12 -0.02 0.05 -0.04 7.15 7.02 2ok7E1 TYR 248 HE2 0.00 -0.00 0.02 -0.04 6.85 6.83 2ok7E1 ALA 254 HA -0.01 -0.10 0.23 -0.75 4.34 3.70 2ok7E1 ALA 254 HB3 -0.04 0.00 0.13 -0.04 1.41 1.46 2ok7E1 THR 255 H 0.00 0.08 0.05 -0.55 8.28 7.86 2ok7E1 THR 255 HA -0.03 0.02 0.55 -0.75 4.39 4.18 2ok7E1 THR 255 HB -0.01 0.00 0.07 -0.04 4.32 4.34 2ok7E1 THR 255 HG23 -0.04 0.01 -0.05 -0.04 1.22 1.10 2ok7E1 SER 256 H -0.06 0.07 0.15 -0.55 8.46 8.07 2ok7E1 SER 256 HA -0.15 0.07 0.24 -0.75 4.49 3.90 2ok7E1 SER 256 HB2 -0.10 0.03 0.15 -0.04 3.95 4.00 2ok7E1 SER 256 HB3 -0.14 -0.06 0.11 -0.04 3.93 3.81 2ok7E1 PHE 257 H -0.11 0.22 0.09 -0.55 8.34 7.98 2ok7E1 PHE 257 HA -0.16 0.10 0.89 -0.75 4.62 4.69 2ok7E1 PHE 257 HB2 -0.11 0.11 -0.00 -0.04 3.15 3.10 2ok7E1 PHE 257 HB3 -0.10 0.01 0.00 -0.04 3.06 2.94 2ok7E1 PHE 257 HD2 -0.03 0.03 -0.19 -0.04 7.28 7.05 2ok7E1 PHE 257 HE2 -0.00 -0.04 -0.09 -0.04 7.38 7.21 2ok7E1 PHE 257 HZ 0.00 0.03 -0.19 -0.04 7.32 7.12 2ok7E1 TYR 258 H -0.28 0.15 0.15 -0.55 8.29 7.76 2ok7E1 TYR 258 HA 0.09 0.27 0.79 -0.75 4.56 4.95 2ok7E1 TYR 258 HB2 -0.09 0.03 0.01 -0.04 3.06 2.98 2ok7E1 TYR 258 HB3 -0.02 -0.18 0.13 -0.04 2.98 2.86 2ok7E1 TYR 258 HD2 -0.02 0.02 -0.02 -0.04 7.15 7.09 2ok7E1 TYR 258 HE2 -0.01 0.01 -0.05 -0.04 6.85 6.77 2ok7E1 VAL 259 H 0.21 0.16 0.12 -0.55 8.24 8.19 2ok7E1 VAL 259 HA 0.17 0.15 0.34 -0.75 4.13 4.03 2ok7E1 VAL 259 HB 0.20 0.00 0.08 -0.04 2.12 2.36 2ok7E1 VAL 259 HG13 0.14 0.01 -0.10 -0.04 0.97 0.98 2ok7E1 VAL 259 HG23 0.22 0.05 -0.16 -0.04 0.95 1.02 2ok7E1 GLN 260 H 0.05 0.04 -0.22 -0.55 8.47 7.79 2ok7E1 GLN 260 HA -0.07 0.14 0.37 -0.75 4.36 4.04 2ok7E1 GLN 260 HB2 -0.04 -0.04 -0.04 -0.04 2.15 2.00 2ok7E1 GLN 260 HB3 -0.06 0.11 -0.04 -0.04 2.02 1.99 2ok7E1 GLN 260 HG2 0.00 0.18 0.01 -0.04 2.40 2.55 2ok7E1 GLN 260 HG3 0.00 0.01 -0.00 -0.04 2.39 2.35 2ok7E1 GLN 260 HE21 -0.08 -0.06 -0.10 -0.04 6.97 6.69 2ok7E1 GLN 260 HE22 0.01 0.12 -0.09 -0.04 7.69 7.69 2ok7E1 ASP 261 H -0.13 0.23 -0.39 -0.55 8.40 7.56 2ok7E1 ASP 261 HA -0.14 0.12 0.39 -0.75 4.63 4.25 2ok7E1 ASP 261 HB2 -1.20 0.13 0.07 -0.04 2.71 1.67 2ok7E1 ASP 261 HB3 -0.68 0.07 0.04 -0.04 2.70 2.09 2ok7E1 GLU 262 H 0.05 0.20 -0.20 -0.55 8.60 8.11 2ok7E1 GLU 262 HA 0.16 0.10 0.52 -0.75 4.29 4.31 2ok7E1 GLU 262 HB2 0.13 0.05 0.05 -0.04 2.09 2.27 2ok7E1 GLU 262 HB3 0.08 0.04 -0.10 -0.04 1.99 1.97 2ok7E1 GLU 262 HG2 0.48 -0.02 -0.06 -0.04 2.34 2.70 2ok7E1 GLU 262 HG3 0.21 -0.00 -0.09 -0.04 2.34 2.41 2ok7E1 ILE 263 H -0.19 0.24 -0.29 -0.55 8.25 7.46 2ok7E1 ILE 263 HA -0.47 0.09 0.50 -0.75 4.18 3.55 2ok7E1 ILE 263 HB -0.32 0.19 0.07 -0.04 1.89 1.79 2ok7E1 ILE 263 HG12 -0.30 0.18 0.11 -0.04 1.49 1.45 2ok7E1 ILE 263 HG13 -0.37 -0.05 -0.03 -0.04 1.21 0.72 2ok7E1 ILE 263 HG23 -1.23 0.00 -0.08 -0.04 0.93 -0.42 2ok7E1 ILE 263 HD13 -0.92 -0.02 -0.07 -0.04 0.88 -0.16 2ok7E1 TYR 264 H -0.01 0.29 -0.19 -0.55 8.29 7.83 2ok7E1 TYR 264 HA -0.11 0.09 0.42 -0.75 4.56 4.21 2ok7E1 TYR 264 HB2 -0.12 0.05 0.10 -0.04 3.06 3.05 2ok7E1 TYR 264 HB3 -0.11 0.03 0.07 -0.04 2.98 2.93 2ok7E1 TYR 264 HD2 -0.06 0.03 -0.06 -0.04 7.15 7.01 2ok7E1 TYR 264 HE2 -0.03 0.00 -0.02 -0.04 6.85 6.76 2ok7E1 LYS 265 H 0.03 0.31 -0.31 -0.55 8.42 7.90 2ok7E1 LYS 265 HA 0.01 0.04 0.55 -0.75 4.32 4.17 2ok7E1 LYS 265 HB2 0.14 0.17 0.18 -0.04 1.87 2.31 2ok7E1 LYS 265 HB3 0.07 0.05 0.01 -0.04 1.79 1.88 2ok7E1 LYS 265 HG2 0.06 -0.02 0.04 -0.04 1.46 1.50 2ok7E1 LYS 265 HG3 0.10 -0.01 0.07 -0.04 1.46 1.58 2ok7E1 LYS 265 HD2 0.35 -0.01 -0.05 -0.04 1.69 1.93 2ok7E1 LYS 265 HD3 0.13 -0.01 -0.02 -0.04 1.68 1.74 2ok7E1 LYS 265 HE2 0.06 -0.00 -0.00 -0.04 2.99 3.00 2ok7E1 LYS 265 HE3 0.11 -0.00 -0.00 -0.04 2.99 3.06 2ok7E1 ARG 266 H -0.05 0.32 -0.58 -0.55 8.46 7.60 2ok7E1 ARG 266 HA 0.00 0.10 0.79 -0.75 4.34 4.48 2ok7E1 ARG 266 HB2 0.02 0.10 0.18 -0.04 1.90 2.16 2ok7E1 ARG 266 HB3 0.07 -0.14 0.11 -0.04 1.80 1.81 2ok7E1 ARG 266 HG2 0.03 -0.01 -0.08 -0.04 1.67 1.57 2ok7E1 ARG 266 HG3 0.02 0.01 -0.18 -0.04 1.67 1.47 2ok7E1 ARG 266 HD2 0.04 0.04 -0.05 -0.04 3.22 3.20 2ok7E1 ARG 266 HD3 0.02 -0.03 -0.04 -0.04 3.22 3.13 2ok7E1 LYS 267 H -0.10 0.28 -0.31 -0.55 8.42 7.74 2ok7E1 LYS 267 HA -0.07 0.18 0.35 -0.75 4.32 4.03 2ok7E1 LYS 267 HB2 -0.17 -0.01 0.11 -0.04 1.87 1.76 2ok7E1 LYS 267 HB3 -0.11 0.01 -0.04 -0.04 1.79 1.61 2ok7E1 LYS 267 HG2 -0.24 -0.00 0.05 -0.04 1.46 1.22 2ok7E1 LYS 267 HG3 -0.57 0.26 0.11 -0.04 1.46 1.22 2ok7E1 LYS 267 HD2 -0.88 -0.01 0.04 -0.04 1.69 0.80 2ok7E1 LYS 267 HD3 -0.32 -0.04 0.03 -0.04 1.68 1.32 2ok7E1 LYS 267 HE2 -0.10 -0.01 -0.01 -0.04 2.99 2.82 2ok7E1 LYS 267 HE3 -0.10 0.04 0.01 -0.04 2.99 2.90 2ok7E1 THR 268 H -0.01 0.12 -0.03 -0.55 8.28 7.81 2ok7E1 THR 268 HA 0.02 0.13 0.42 -0.75 4.39 4.22 2ok7E1 THR 268 HB 0.02 0.00 0.03 -0.04 4.32 4.33 2ok7E1 THR 268 HG23 0.01 0.01 -0.01 -0.04 1.22 1.19 2ok7E1 GLU 269 H 0.06 0.08 -0.31 -0.55 8.60 7.89 2ok7E1 GLU 269 HA 0.09 0.07 0.31 -0.75 4.29 4.00 2ok7E1 GLU 269 HB2 0.11 0.08 0.03 -0.04 2.09 2.28 2ok7E1 GLU 269 HB3 0.13 0.04 -0.02 -0.04 1.99 2.09 2ok7E1 GLU 269 HG2 0.07 0.05 -0.01 -0.04 2.34 2.41 2ok7E1 GLU 269 HG3 0.06 0.00 -0.03 -0.04 2.34 2.33 2ok7E1 PHE 270 H 0.23 0.46 -0.21 -0.55 8.34 8.26 2ok7E1 PHE 270 HA 0.13 0.04 0.52 -0.75 4.62 4.56 2ok7E1 PHE 270 HB2 -0.01 0.14 0.14 -0.04 3.15 3.38 2ok7E1 PHE 270 HB3 -0.01 0.12 0.09 -0.04 3.06 3.22 2ok7E1 PHE 270 HD2 0.01 0.04 -0.10 -0.04 7.28 7.19 2ok7E1 PHE 270 HE2 0.03 -0.01 -0.09 -0.04 7.38 7.27 2ok7E1 PHE 270 HZ 0.12 -0.04 -0.09 -0.04 7.32 7.27 2ok7E1 LEU 271 H 0.15 0.38 -0.13 -0.55 8.37 8.23 2ok7E1 LEU 271 HA 0.03 0.05 0.52 -0.75 4.35 4.19 2ok7E1 LEU 271 HB2 0.05 0.07 0.15 -0.04 1.64 1.87 2ok7E1 LEU 271 HB3 0.03 -0.04 0.05 -0.04 1.64 1.64 2ok7E1 LEU 271 HG 0.10 0.04 0.07 -0.04 1.64 1.81 2ok7E1 LEU 271 HD13 0.01 -0.01 -0.01 -0.04 0.93 0.89 2ok7E1 LEU 271 HD23 -0.02 0.03 0.07 -0.04 0.89 0.93 2ok7E1 ASN 272 H 0.08 0.45 -0.19 -0.55 8.53 8.32 2ok7E1 ASN 272 HA 0.04 0.01 0.44 -0.75 4.76 4.50 2ok7E1 ASN 272 HB2 0.09 0.07 0.13 -0.04 2.88 3.12 2ok7E1 ASN 272 HB3 0.12 0.00 -0.08 -0.04 2.79 2.79 2ok7E1 ASN 272 HD21 0.02 -0.03 -0.03 -0.04 7.03 6.94 2ok7E1 ASN 272 HD22 0.06 0.01 -0.04 -0.04 7.74 7.73 2ok7E1 LEU 273 H 0.08 0.34 -0.32 -0.55 8.37 7.93 2ok7E1 LEU 273 HA 0.33 0.08 0.43 -0.75 4.35 4.44 2ok7E1 LEU 273 HB2 -0.03 0.12 0.08 -0.04 1.64 1.77 2ok7E1 LEU 273 HB3 -0.01 -0.02 -0.10 -0.04 1.64 1.47 2ok7E1 LEU 273 HG 0.06 0.07 0.02 -0.04 1.64 1.74 2ok7E1 LEU 273 HD13 0.12 -0.01 -0.03 -0.04 0.93 0.96 2ok7E1 LEU 273 HD23 -0.16 -0.00 -0.09 -0.04 0.89 0.60 2ok7E1 PHE 274 H 0.10 0.33 -0.22 -0.55 8.34 8.00 2ok7E1 PHE 274 HA -0.09 -0.01 0.22 -0.75 4.62 3.99 2ok7E1 PHE 274 HB2 -0.25 0.14 0.14 -0.04 3.15 3.14 2ok7E1 PHE 274 HB3 -0.08 0.06 0.10 -0.04 3.06 3.11 2ok7E1 PHE 274 HD2 -0.17 -0.00 -0.12 -0.04 7.28 6.96 2ok7E1 PHE 274 HE2 -0.00 -0.02 -0.06 -0.04 7.38 7.26 2ok7E1 PHE 274 HZ -0.00 -0.05 -0.10 -0.04 7.32 7.13 2ok7E1 ASN 275 H 0.11 0.38 -0.12 -0.55 8.53 8.35 2ok7E1 ASN 275 HA 0.05 0.17 0.73 -0.75 4.76 4.96 2ok7E1 ASN 275 HB2 0.03 0.05 0.11 -0.04 2.88 3.04 2ok7E1 ASN 275 HB3 0.02 -0.02 0.03 -0.04 2.79 2.78 2ok7E1 ASN 275 HD21 0.05 0.01 0.05 -0.04 7.03 7.10 2ok7E1 ASN 275 HD22 0.06 0.17 0.09 -0.04 7.74 8.02 2ok7E1 ASN 276 H -0.04 0.31 0.02 -0.55 8.53 8.27 2ok7E1 ASN 276 HA -0.17 0.11 0.55 -0.75 4.76 4.49 2ok7E1 ASN 276 HB2 -0.36 0.24 0.13 -0.04 2.88 2.85 2ok7E1 ASN 276 HB3 -0.39 -0.04 0.14 -0.04 2.79 2.47 2ok7E1 ASN 276 HD21 -0.04 -0.06 0.03 -0.04 7.03 6.92 2ok7E1 ASN 276 HD22 -0.05 0.14 0.18 -0.04 7.74 7.97 2ok7E1 TYR 277 H -0.00 0.14 -0.31 -0.55 8.29 7.56 2ok7E1 TYR 277 HA -0.07 0.19 0.83 -0.75 4.56 4.75 2ok7E1 TYR 277 HB2 -0.09 0.20 0.06 -0.04 3.06 3.18 2ok7E1 TYR 277 HB3 -0.09 -0.04 0.13 -0.04 2.98 2.94 2ok7E1 TYR 277 HD2 -0.06 0.03 0.04 -0.04 7.15 7.12 2ok7E1 TYR 277 HE2 -0.07 -0.04 -0.10 -0.04 6.85 6.60 2ok7E1 LYS 278 H -0.06 0.06 -0.33 -0.55 8.42 7.54 2ok7E1 LYS 278 HA -0.14 0.15 0.37 -0.75 4.32 3.95 2ok7E1 LYS 278 HB2 -0.08 0.07 -0.05 -0.04 1.87 1.76 2ok7E1 LYS 278 HB3 -0.11 -0.04 0.19 -0.04 1.79 1.78 2ok7E1 LYS 278 HG2 -0.07 0.03 0.08 -0.04 1.46 1.47 2ok7E1 LYS 278 HG3 -0.07 0.02 -0.08 -0.04 1.46 1.29 2ok7E1 LYS 278 HD2 -0.06 -0.00 -0.02 -0.04 1.69 1.57 2ok7E1 LYS 278 HD3 -0.06 -0.04 0.02 -0.04 1.68 1.56 2ok7E1 LYS 278 HE2 -0.04 -0.06 0.01 -0.04 2.99 2.85 2ok7E1 LYS 278 HE3 -0.04 0.01 0.02 -0.04 2.99 2.94 2ok7E1 CYS 279 H -0.25 0.21 0.00 -0.55 8.50 7.91 2ok7E1 CYS 279 HA -0.25 0.22 0.29 -0.75 4.58 4.09 2ok7E1 CYS 279 HB2 -0.30 -0.06 -0.19 -0.04 2.97 2.38 2ok7E1 CYS 279 HB3 -0.24 -0.07 -0.33 -0.04 2.97 2.29 2ok7E1 GLU 280 H -0.25 0.58 0.34 -0.55 8.60 8.72 2ok7E1 GLU 280 HA -0.11 0.18 0.98 -0.75 4.29 4.59 2ok7E1 GLU 280 HB2 0.11 -0.02 0.22 -0.04 2.09 2.36 2ok7E1 GLU 280 HB3 0.28 0.03 0.07 -0.04 1.99 2.33 2ok7E1 GLU 280 HG2 -0.16 0.09 -0.04 -0.04 2.34 2.19 2ok7E1 GLU 280 HG3 0.01 -0.10 0.04 -0.04 2.34 2.26 2ok7E1 LEU 281 H -0.02 0.39 0.14 -0.55 8.37 8.33 2ok7E1 LEU 281 HA 0.27 0.16 0.82 -0.75 4.35 4.84 2ok7E1 LEU 281 HB2 0.36 0.03 -0.05 -0.04 1.64 1.94 2ok7E1 LEU 281 HB3 0.27 -0.06 0.05 -0.04 1.64 1.86 2ok7E1 LEU 281 HG 0.35 -0.03 -0.24 -0.04 1.64 1.67 2ok7E1 LEU 281 HD13 0.43 0.01 -0.05 -0.04 0.93 1.28 2ok7E1 LEU 281 HD23 0.39 -0.02 -0.13 -0.04 0.89 1.09 2ok7E1 TYR 282 H 0.52 0.49 0.37 -0.55 8.29 9.11 2ok7E1 TYR 282 HA 0.46 0.21 1.03 -0.75 4.56 5.50 2ok7E1 TYR 282 HB2 0.60 0.01 0.22 -0.04 3.06 3.84 2ok7E1 TYR 282 HB3 0.71 -0.05 -0.02 -0.04 2.98 3.58 2ok7E1 TYR 282 HD2 -0.41 0.04 -0.19 -0.04 7.15 6.56 2ok7E1 TYR 282 HE2 -0.11 0.03 -0.22 -0.04 6.85 6.51 2ok7E1 ILE 283 H 0.65 0.81 0.37 -0.55 8.25 9.52 2ok7E1 ILE 283 HA 0.42 0.15 0.99 -0.75 4.18 4.99 2ok7E1 ILE 283 HB 0.25 -0.06 0.16 -0.04 1.89 2.20 2ok7E1 ILE 283 HG12 0.30 0.08 -0.23 -0.04 1.49 1.60 2ok7E1 ILE 283 HG13 0.19 -0.04 -0.15 -0.04 1.21 1.17 2ok7E1 ILE 283 HG23 0.15 -0.04 -0.20 -0.04 0.93 0.80 2ok7E1 ILE 283 HD13 0.26 0.02 -0.21 -0.04 0.88 0.91 2ok7E1 CYS 284 H 0.34 0.58 0.25 -0.55 8.50 9.12 2ok7E1 CYS 284 HA -0.09 0.24 0.87 -0.75 4.58 4.85 2ok7E1 CYS 284 HB2 -0.09 0.01 -0.12 -0.04 2.97 2.74 2ok7E1 CYS 284 HB3 -0.02 0.08 0.22 -0.04 2.97 3.21 2ok7E1 GLY 285 H -0.17 0.31 0.21 -0.55 8.43 8.22 2ok7E1 GLY 285 HA2 -0.53 0.06 0.40 -0.51 4.01 3.43 2ok7E1 GLY 285 HA3 -0.10 0.02 1.08 -0.51 4.01 4.50 2ok7E1 HIS 286 H 0.05 0.12 0.16 -0.55 8.41 8.19 2ok7E1 HIS 286 HA -0.11 0.16 0.60 -0.75 4.63 4.53 2ok7E1 HIS 286 HB2 -0.06 0.00 0.13 -0.04 3.26 3.30 2ok7E1 HIS 286 HB3 -0.07 -0.12 0.04 -0.04 3.20 3.00 2ok7E1 HIS 286 HD2 -0.06 -0.02 0.08 -0.04 6.97 6.92 2ok7E1 HIS 286 HE1 0.01 0.02 0.01 -0.04 7.75 7.74 2ok7E1 LYS 287 H 0.04 0.21 0.20 -0.55 8.42 8.32 2ok7E1 LYS 287 HA -0.02 0.12 0.40 -0.75 4.32 4.07 2ok7E1 LYS 287 HB2 0.07 -0.00 0.15 -0.04 1.87 2.04 2ok7E1 LYS 287 HB3 0.01 0.06 -0.01 -0.04 1.79 1.81 2ok7E1 LYS 287 HG2 -0.01 0.08 0.01 -0.04 1.46 1.51 2ok7E1 LYS 287 HG3 -0.03 0.01 0.01 -0.04 1.46 1.41 2ok7E1 LYS 287 HD2 -0.02 -0.00 -0.08 -0.04 1.69 1.55 2ok7E1 LYS 287 HD3 -0.01 -0.07 0.11 -0.04 1.68 1.67 2ok7E1 LYS 287 HE2 0.02 0.07 0.00 -0.04 2.99 3.04 2ok7E1 LYS 287 HE3 0.01 -0.02 0.03 -0.04 2.99 2.97 2ok7E1 SER 288 H 0.10 0.06 -0.27 -0.55 8.46 7.81 2ok7E1 SER 288 HA 0.37 0.10 0.20 -0.75 4.49 4.41 2ok7E1 SER 288 HB2 -0.02 -0.01 -0.06 -0.04 3.95 3.81 2ok7E1 SER 288 HB3 0.05 0.08 0.07 -0.04 3.93 4.09 2ok7E1 ILE 289 H 0.06 0.29 -0.55 -0.55 8.25 7.50 2ok7E1 ILE 289 HA 0.05 0.07 0.55 -0.75 4.18 4.10 2ok7E1 ILE 289 HB 0.09 0.07 -0.10 -0.04 1.89 1.91 2ok7E1 ILE 289 HG12 0.08 -0.09 -0.11 -0.04 1.49 1.33 2ok7E1 ILE 289 HG13 0.08 -0.02 -0.09 -0.04 1.21 1.14 2ok7E1 ILE 289 HG23 0.09 0.01 -0.11 -0.04 0.93 0.87 2ok7E1 ILE 289 HD13 0.14 -0.01 -0.18 -0.04 0.88 0.78 2ok7E1 ARG 290 H 0.00 0.34 -0.09 -0.55 8.46 8.16 2ok7E1 ARG 290 HA 0.02 0.07 0.27 -0.75 4.34 3.95 2ok7E1 ARG 290 HB2 -0.05 -0.02 0.09 -0.04 1.90 1.87 2ok7E1 ARG 290 HB3 -0.23 0.06 0.06 -0.04 1.80 1.65 2ok7E1 ARG 290 HG2 -0.05 -0.02 -0.02 -0.04 1.67 1.54 2ok7E1 ARG 290 HG3 -0.01 0.02 -0.02 -0.04 1.67 1.62 2ok7E1 ARG 290 HD2 -0.23 -0.01 -0.08 -0.04 3.22 2.87 2ok7E1 ARG 290 HD3 -0.08 0.03 -0.05 -0.04 3.22 3.09 2ok7E1 TYR 291 H 0.00 0.14 -0.29 -0.55 8.29 7.59 2ok7E1 TYR 291 HA 0.00 0.09 0.40 -0.75 4.56 4.30 2ok7E1 TYR 291 HB2 -0.02 0.06 0.05 -0.04 3.06 3.11 2ok7E1 TYR 291 HB3 -0.02 0.04 -0.04 -0.04 2.98 2.91 2ok7E1 TYR 291 HD2 -0.01 -0.02 -0.02 -0.04 7.15 7.06 2ok7E1 TYR 291 HE2 0.00 -0.02 -0.08 -0.04 6.85 6.71 2ok7E1 LYS 292 H 0.10 0.27 -0.29 -0.55 8.42 7.94 2ok7E1 LYS 292 HA 0.02 0.13 0.32 -0.75 4.32 4.03 2ok7E1 LYS 292 HB2 -0.03 0.01 0.07 -0.04 1.87 1.88 2ok7E1 LYS 292 HB3 -0.06 0.03 0.09 -0.04 1.79 1.80 2ok7E1 LYS 292 HG2 0.07 0.12 0.08 -0.04 1.46 1.69 2ok7E1 LYS 292 HG3 -0.02 -0.07 0.01 -0.04 1.46 1.34 2ok7E1 LYS 292 HD2 -0.08 0.04 -0.06 -0.04 1.69 1.55 2ok7E1 LYS 292 HD3 0.01 -0.03 -0.21 -0.04 1.68 1.41 2ok7E1 LYS 292 HE2 -0.02 -0.01 0.00 -0.04 2.99 2.93 2ok7E1 LYS 292 HE3 -0.07 -0.01 -0.03 -0.04 2.99 2.84 2ok7E1 VAL 293 H 0.03 0.17 -0.52 -0.55 8.24 7.37 2ok7E1 VAL 293 HA -0.04 0.22 0.90 -0.75 4.13 4.45 2ok7E1 VAL 293 HB 0.05 0.08 0.00 -0.04 2.12 2.21 2ok7E1 VAL 293 HG13 0.15 0.00 -0.20 -0.04 0.97 0.88 2ok7E1 VAL 293 HG23 -0.06 -0.01 -0.14 -0.04 0.95 0.70 2ok7E1 MET 294 H 0.03 0.29 0.07 -0.55 8.47 8.30 2ok7E1 MET 294 HA -0.00 0.13 0.31 -0.75 4.52 4.20 2ok7E1 MET 294 HB2 0.02 0.04 0.07 -0.04 2.15 2.25 2ok7E1 MET 294 HB3 0.01 0.03 0.06 -0.04 2.03 2.09 2ok7E1 MET 294 HG2 0.02 0.15 0.11 -0.04 2.63 2.87 2ok7E1 MET 294 HG3 0.02 0.02 0.02 -0.04 2.56 2.57 2ok7E1 MET 294 HE3 0.03 0.02 -0.04 -0.04 2.10 2.07 2ok7E1 ASP 295 H 0.02 0.15 -0.17 -0.55 8.40 7.85 2ok7E1 ASP 295 HA 0.01 0.08 0.59 -0.75 4.63 4.56 2ok7E1 ASP 295 HB2 0.03 0.03 0.08 -0.04 2.71 2.81 2ok7E1 ASP 295 HB3 0.02 0.02 -0.05 -0.04 2.70 2.65 2ok7E1 ILE 296 H 0.02 0.01 -0.44 -0.55 8.25 7.29 2ok7E1 ILE 296 HA 0.05 0.10 0.43 -0.75 4.18 4.01 2ok7E1 ILE 296 HB 0.00 0.08 0.02 -0.04 1.89 1.95 2ok7E1 ILE 296 HG12 0.04 -0.09 -0.13 -0.04 1.49 1.27 2ok7E1 ILE 296 HG13 0.18 0.02 -0.01 -0.04 1.21 1.36 2ok7E1 ILE 296 HG23 0.03 -0.00 -0.09 -0.04 0.93 0.82 2ok7E1 ILE 296 HD13 0.17 -0.01 -0.12 -0.04 0.88 0.88 2ok7E1 LEU 297 H -0.01 0.32 -0.21 -0.55 8.37 7.93 2ok7E1 LEU 297 HA -0.07 0.07 0.56 -0.75 4.35 4.16 2ok7E1 LEU 297 HB2 -0.11 -0.04 0.00 -0.04 1.64 1.46 2ok7E1 LEU 297 HB3 -0.30 -0.01 -0.20 -0.04 1.64 1.10 2ok7E1 LEU 297 HG 0.06 0.02 -0.07 -0.04 1.64 1.61 2ok7E1 LEU 297 HD13 -0.26 -0.03 -0.18 -0.04 0.93 0.42 2ok7E1 LEU 297 HD23 -0.64 0.00 -0.07 -0.04 0.89 0.14 2ok7E1 LYS 298 H -0.02 0.26 -0.34 -0.55 8.42 7.76 2ok7E1 LYS 298 HA -0.02 0.21 0.73 -0.75 4.32 4.48 2ok7E1 LYS 308 HA 0.07 -0.00 0.27 -0.75 4.32 3.90 2ok7E1 LYS 309 H -0.01 0.19 0.12 -0.55 8.42 8.16 2ok7E1 LYS 309 HA -0.05 0.15 0.71 -0.75 4.32 4.37 2ok7E1 LYS 309 HB2 -0.02 -0.04 0.11 -0.04 1.87 1.89 2ok7E1 LYS 309 HB3 -0.03 0.03 0.09 -0.04 1.79 1.84 2ok7E1 LYS 309 HG2 -0.04 0.02 0.16 -0.04 1.46 1.57 2ok7E1 LYS 309 HG3 -0.03 -0.00 0.09 -0.04 1.46 1.48 2ok7E1 LYS 309 HD2 -0.01 -0.02 0.04 -0.04 1.69 1.66 2ok7E1 LYS 309 HD3 -0.01 -0.02 0.04 -0.04 1.68 1.64 2ok7E1 LYS 309 HE2 -0.01 -0.02 0.02 -0.04 2.99 2.94 2ok7E1 LYS 309 HE3 -0.01 0.02 0.03 -0.04 2.99 2.98 2ok7E1 ARG 310 H -0.04 0.20 -0.40 -0.55 8.46 7.67 2ok7E1 ARG 310 HA -0.10 0.15 0.64 -0.75 4.34 4.27 2ok7E1 ARG 310 HB2 -0.16 0.05 0.06 -0.04 1.90 1.81 2ok7E1 ARG 310 HB3 -0.17 0.06 0.26 -0.04 1.80 1.91 2ok7E1 ARG 310 HG2 -0.08 -0.02 -0.06 -0.04 1.67 1.47 2ok7E1 ARG 310 HG3 -0.07 -0.14 -0.03 -0.04 1.67 1.39 2ok7E1 ARG 310 HD2 -0.25 0.32 -0.10 -0.04 3.22 3.16 2ok7E1 ARG 310 HD3 -0.12 -0.05 -0.04 -0.04 3.22 2.96 2ok7E1 VAL 311 H -0.11 0.16 -0.23 -0.55 8.24 7.50 2ok7E1 VAL 311 HA -0.00 0.19 0.81 -0.75 4.13 4.37 2ok7E1 VAL 311 HB 0.02 0.03 0.05 -0.04 2.12 2.19 2ok7E1 VAL 311 HG13 0.13 -0.04 -0.20 -0.04 0.97 0.82 2ok7E1 VAL 311 HG23 0.25 -0.01 -0.09 -0.04 0.95 1.07 2ok7E1 HIS 312 H 0.05 0.58 0.28 -0.55 8.41 8.78 2ok7E1 HIS 312 HA 0.10 0.14 0.94 -0.75 4.63 5.05 2ok7E1 HIS 312 HB2 -0.48 -0.03 0.16 -0.04 3.26 2.87 2ok7E1 HIS 312 HB3 0.08 -0.06 0.03 -0.04 3.20 3.22 2ok7E1 HIS 312 HD2 -0.79 0.21 -0.09 -0.04 6.97 6.26 2ok7E1 HIS 312 HE1 -0.02 -0.06 -0.02 -0.04 7.75 7.61 2ok7E1 VAL 313 H 0.31 0.25 0.15 -0.55 8.24 8.41 2ok7E1 VAL 313 HA 0.31 0.24 1.04 -0.75 4.13 4.97 2ok7E1 VAL 313 HB 0.12 0.02 0.10 -0.04 2.12 2.32 2ok7E1 VAL 313 HG13 0.06 -0.04 -0.13 -0.04 0.97 0.83 2ok7E1 VAL 313 HG23 0.12 0.01 -0.23 -0.04 0.95 0.81 2ok7E1 GLU 314 H -0.09 0.68 0.24 -0.55 8.60 8.89 2ok7E1 GLU 314 HA -0.02 0.09 0.63 -0.75 4.29 4.23 2ok7E1 GLU 314 HB2 -0.54 0.02 -0.05 -0.04 2.09 1.48 2ok7E1 GLU 314 HB3 -0.71 -0.01 0.23 -0.04 1.99 1.46 2ok7E1 GLU 314 HG2 -0.07 -0.01 -0.02 -0.04 2.34 2.20 2ok7E1 GLU 314 HG3 0.01 0.02 0.13 -0.04 2.34 2.46 2ok7E1 VAL 315 H 0.01 0.23 0.10 -0.55 8.24 8.02 2ok7E1 VAL 315 HA -0.13 0.07 1.02 -0.75 4.13 4.34 2ok7E1 VAL 315 HB -0.08 0.00 -0.13 -0.04 2.12 1.88 2ok7E1 VAL 315 HG13 -0.02 -0.04 -0.35 -0.04 0.97 0.52 2ok7E1 VAL 315 HG23 -0.01 0.00 -0.06 -0.04 0.95 0.84 2ok7E1 TYR 316 H -0.36 0.61 0.22 -0.55 8.29 8.20 2ok7E1 TYR 316 HA -0.06 0.18 0.55 -0.75 4.56 4.48 2ok7E1 TYR 316 HB2 -0.08 0.02 0.07 -0.04 3.06 3.03 2ok7E1 TYR 316 HB3 -0.08 0.13 -0.14 -0.04 2.98 2.85 2ok7E1 TYR 316 HD2 -0.09 0.02 -0.16 -0.04 7.15 6.88 2ok7E1 TYR 316 HE2 -0.07 0.02 0.01 -0.04 6.85 6.77