============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 17 0.840 46.991 -12.078 23.189 -99.200 -91.000 TRP 27 1.040 54.214 -6.850 11.734 -99.200 -91.000 TRP6 27 1.020 53.907 -7.557 13.970 -99.200 -91.000 TYR 35 0.840 42.106 -4.845 7.635 -99.200 -91.000 PHE 36 1.000 46.491 2.071 10.478 -99.200 -91.000 PHE 42 1.000 33.811 2.473 3.677 -99.200 -91.000 PHE 46 1.000 23.477 10.967 2.341 -99.200 -91.000 PHE 49 1.000 28.510 13.818 -1.276 -99.200 -91.000 TRP 62 1.040 53.448 12.489 16.031 -99.200 -91.000 TRP6 62 1.020 51.906 13.128 14.359 -99.200 -91.000 PHE 69 1.000 54.768 6.356 4.036 -99.200 -91.000 HIS 93 0.900 42.424 18.700 16.313 -99.200 -91.000 HIS 100 0.900 41.697 15.693 29.932 -99.200 -91.000 TYR 106 0.840 32.450 13.379 20.863 -99.200 -91.000 TYR 109 0.840 37.151 18.200 13.954 -99.200 -91.000 PHE 121 1.000 38.697 3.058 12.791 -99.200 -91.000 TYR 129 0.840 46.834 -0.737 20.522 -99.200 -91.000 HIS 135 0.900 36.348 5.614 26.998 -99.200 -91.000 TYR 147 0.840 47.106 -17.387 12.539 -99.200 -91.000 HIS 151 0.900 63.062 -10.425 20.909 -99.200 -91.000 PHE 155 1.000 55.337 -9.330 24.292 -99.200 -91.000 PHE 156 1.000 45.508 -5.330 22.695 -99.200 -91.000 PHE 160 1.000 42.186 -9.023 21.075 -99.200 -91.000 TRP 165 1.040 40.295 -11.068 29.155 -99.200 -91.000 TRP6 165 1.020 39.014 -9.443 30.296 -99.200 -91.000 TRP 169 1.040 37.244 -8.207 24.577 -99.200 -91.000 TRP6 169 1.020 36.694 -6.421 23.135 -99.200 -91.000 HIS 174 0.900 36.358 -11.894 5.995 -99.200 -91.000 TRP 180 1.040 31.914 -1.548 12.143 -99.200 -91.000 TRP6 180 1.020 34.147 -0.779 12.153 -99.200 -91.000 HIS 187 0.900 36.838 -16.050 5.168 -99.200 -91.000 PHE 195 1.000 57.450 -13.732 9.532 -99.200 -91.000 TYR 197 0.840 49.112 -10.754 6.883 -99.200 -91.000 PHE 199 1.000 43.725 -8.241 6.868 -99.200 -91.000 TRP 202 1.040 38.767 -11.152 17.974 -99.200 -91.000 TRP6 202 1.020 38.416 -13.042 19.358 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fziA1 MET 1 HA -0.18 -0.16 0.22 -0.75 4.52 3.64 2fziA1 MET 1 HB2 -0.09 0.03 0.11 -0.04 2.15 2.16 2fziA1 MET 1 HB3 -0.25 0.01 -0.01 -0.04 2.03 1.73 2fziA1 MET 1 HG2 -0.09 -0.02 0.04 -0.04 2.63 2.52 2fziA1 MET 1 HG3 -0.06 -0.01 0.04 -0.04 2.56 2.50 2fziA1 MET 1 HE3 -0.05 -0.00 0.03 -0.04 2.10 2.04 2fziA1 ASN 2 H -0.21 -0.32 0.17 -0.55 8.53 7.62 2fziA1 ASN 2 HA 0.08 0.13 0.36 -0.75 4.76 4.58 2fziA1 ASN 2 HB2 0.02 0.21 -0.25 -0.04 2.88 2.82 2fziA1 ASN 2 HB3 0.02 -0.03 -0.14 -0.04 2.79 2.60 2fziA1 ASN 2 HD21 0.03 -0.03 0.00 -0.04 7.03 6.99 2fziA1 ASN 2 HD22 0.02 0.01 -0.05 -0.04 7.74 7.68 2fziA1 GLN 3 H -0.10 -0.11 0.12 -0.55 8.47 7.82 2fziA1 GLN 3 HA 0.14 0.23 0.67 -0.75 4.36 4.65 2fziA1 GLN 3 HB2 0.09 0.06 0.15 -0.04 2.15 2.41 2fziA1 GLN 3 HB3 0.12 0.04 -0.09 -0.04 2.02 2.04 2fziA1 GLN 3 HG2 0.02 0.01 -0.05 -0.04 2.40 2.34 2fziA1 GLN 3 HG3 0.00 -0.11 -0.07 -0.04 2.39 2.17 2fziA1 GLN 3 HE21 -0.02 0.03 -0.09 -0.04 6.97 6.86 2fziA1 GLN 3 HE22 -0.03 -0.06 -0.08 -0.04 7.69 7.48 2fziA1 GLN 4 H -0.19 0.04 0.04 -0.55 8.47 7.82 2fziA1 GLN 4 HA -0.02 0.15 0.66 -0.75 4.36 4.40 2fziA1 GLN 4 HB2 -0.04 0.06 0.03 -0.04 2.15 2.16 2fziA1 GLN 4 HB3 -0.11 -0.03 0.09 -0.04 2.02 1.93 2fziA1 GLN 4 HG2 -0.09 -0.10 0.08 -0.04 2.40 2.25 2fziA1 GLN 4 HG3 -0.09 0.08 -0.01 -0.04 2.39 2.33 2fziA1 GLN 4 HE21 -1.02 0.03 -0.13 -0.04 6.97 5.82 2fziA1 GLN 4 HE22 -0.67 0.10 -0.04 -0.04 7.69 7.04 2fziA1 LYS 5 H 0.15 -0.03 -0.02 -0.55 8.42 7.96 2fziA1 LYS 5 HA 0.08 0.13 0.65 -0.75 4.32 4.43 2fziA1 LYS 5 HB2 0.22 -0.08 0.01 -0.04 1.87 1.99 2fziA1 LYS 5 HB3 0.09 0.13 0.06 -0.04 1.79 2.03 2fziA1 LYS 5 HG2 0.09 0.03 -0.01 -0.04 1.46 1.53 2fziA1 LYS 5 HG3 0.20 -0.12 -0.03 -0.04 1.46 1.47 2fziA1 LYS 5 HD2 0.13 -0.10 -0.12 -0.04 1.69 1.56 2fziA1 LYS 5 HD3 0.06 0.14 -0.01 -0.04 1.68 1.83 2fziA1 LYS 5 HE2 0.05 0.27 -0.13 -0.04 2.99 3.14 2fziA1 LYS 5 HE3 0.07 -0.06 0.02 -0.04 2.99 2.98 2fziA1 SER 6 H 0.07 0.09 0.18 -0.55 8.46 8.26 2fziA1 SER 6 HA 0.07 0.15 0.72 -0.75 4.49 4.67 2fziA1 SER 6 HB2 0.05 0.14 0.21 -0.04 3.95 4.31 2fziA1 SER 6 HB3 0.06 -0.02 0.12 -0.04 3.93 4.05 2fziA1 LEU 7 H 0.04 0.72 0.17 -0.55 8.37 8.75 2fziA1 LEU 7 HA -0.03 0.26 0.92 -0.75 4.35 4.74 2fziA1 LEU 7 HB2 0.01 -0.07 -0.13 -0.04 1.64 1.41 2fziA1 LEU 7 HB3 -0.01 -0.02 -0.08 -0.04 1.64 1.49 2fziA1 LEU 7 HG -0.08 0.01 -0.21 -0.04 1.64 1.33 2fziA1 LEU 7 HD13 -0.30 -0.02 -0.10 -0.04 0.93 0.47 2fziA1 LEU 7 HD23 -0.06 0.04 -0.22 -0.04 0.89 0.61 2fziA1 THR 8 H -0.09 0.57 0.35 -0.55 8.28 8.56 2fziA1 THR 8 HA -0.03 0.14 1.04 -0.75 4.39 4.79 2fziA1 THR 8 HB -0.44 0.03 0.08 -0.04 4.32 3.95 2fziA1 THR 8 HG23 0.01 -0.01 -0.19 -0.04 1.22 0.99 2fziA1 LEU 9 H 0.02 0.82 0.43 -0.55 8.37 9.10 2fziA1 LEU 9 HA 0.20 0.13 1.01 -0.75 4.35 4.95 2fziA1 LEU 9 HB2 0.06 -0.03 0.03 -0.04 1.64 1.67 2fziA1 LEU 9 HB3 -0.10 0.01 0.16 -0.04 1.64 1.67 2fziA1 LEU 9 HG 0.28 0.02 0.02 -0.04 1.64 1.92 2fziA1 LEU 9 HD13 0.05 -0.03 -0.06 -0.04 0.93 0.85 2fziA1 LEU 9 HD23 -0.37 -0.01 -0.35 -0.04 0.89 0.12 2fziA1 ILE 10 H 0.31 0.62 0.35 -0.55 8.25 8.98 2fziA1 ILE 10 HA 0.15 0.25 1.06 -0.75 4.18 4.89 2fziA1 ILE 10 HB 0.34 0.02 -0.10 -0.04 1.89 2.10 2fziA1 ILE 10 HG12 0.34 -0.07 -0.17 -0.04 1.49 1.54 2fziA1 ILE 10 HG13 0.26 0.13 0.11 -0.04 1.21 1.67 2fziA1 ILE 10 HG23 0.37 0.02 0.01 -0.04 0.93 1.29 2fziA1 ILE 10 HD13 0.10 -0.00 -0.06 -0.04 0.88 0.88 2fziA1 VAL 11 H 0.07 0.74 0.35 -0.55 8.24 8.84 2fziA1 VAL 11 HA 0.14 0.12 0.71 -0.75 4.13 4.35 2fziA1 VAL 11 HB -0.34 0.06 -0.36 -0.04 2.12 1.44 2fziA1 VAL 11 HG13 -0.48 -0.01 -0.20 -0.04 0.97 0.24 2fziA1 VAL 11 HG23 0.00 -0.01 -0.16 -0.04 0.95 0.74 2fziA1 ALA 12 H 0.14 0.24 0.18 -0.55 8.40 8.41 2fziA1 ALA 12 HA -0.03 0.16 0.96 -0.75 4.34 4.67 2fziA1 ALA 12 HB3 0.16 0.00 0.06 -0.04 1.41 1.59 2fziA1 LEU 13 H -0.19 0.67 0.32 -0.55 8.37 8.62 2fziA1 LEU 13 HA 0.13 0.36 0.93 -0.75 4.35 5.02 2fziA1 LEU 13 HB2 0.00 -0.06 -0.19 -0.04 1.64 1.35 2fziA1 LEU 13 HB3 -0.04 -0.04 -0.42 -0.04 1.64 1.11 2fziA1 LEU 13 HG -0.36 0.10 -0.26 -0.04 1.64 1.08 2fziA1 LEU 13 HD13 -0.19 -0.03 -0.12 -0.04 0.93 0.55 2fziA1 LEU 13 HD23 -0.22 0.03 -0.15 -0.04 0.89 0.51 2fziA1 THR 14 H -0.03 0.41 0.27 -0.55 8.28 8.38 2fziA1 THR 14 HA -0.33 0.25 0.83 -0.75 4.39 4.38 2fziA1 THR 14 HB -0.12 0.22 0.37 -0.04 4.32 4.74 2fziA1 THR 14 HG23 -0.02 0.07 0.12 -0.04 1.22 1.35 2fziA1 THR 15 H -0.18 0.33 0.27 -0.55 8.28 8.15 2fziA1 THR 15 HA -0.32 0.11 0.38 -0.75 4.39 3.81 2fziA1 THR 15 HB -0.06 0.04 0.08 -0.04 4.32 4.34 2fziA1 THR 15 HG23 0.00 0.03 -0.00 -0.04 1.22 1.21 2fziA1 SER 16 H -0.06 -0.02 -0.60 -0.55 8.46 7.24 2fziA1 SER 16 HA 0.09 0.25 0.79 -0.75 4.49 4.86 2fziA1 SER 16 HB2 0.15 -0.04 0.03 -0.04 3.95 4.05 2fziA1 SER 16 HB3 0.20 0.05 0.14 -0.04 3.93 4.28 2fziA1 TYR 17 H -0.29 0.61 -0.32 -0.55 8.29 7.74 2fziA1 TYR 17 HA 0.02 0.09 0.24 -0.75 4.56 4.16 2fziA1 TYR 17 HB2 0.18 0.26 -0.14 -0.04 3.06 3.32 2fziA1 TYR 17 HB3 0.23 -0.09 0.18 -0.04 2.98 3.26 2fziA1 TYR 17 HD2 -0.00 0.01 -0.22 -0.04 7.15 6.89 2fziA1 TYR 17 HE2 -0.47 -0.01 -0.06 -0.04 6.85 6.27 2fziA1 GLY 18 H 0.14 -0.06 -0.30 -0.55 8.43 7.66 2fziA1 GLY 18 HA2 -0.49 0.15 0.62 -0.51 4.01 3.78 2fziA1 GLY 18 HA3 -0.13 0.09 0.30 -0.51 4.01 3.76 2fziA1 ILE 19 H -0.21 0.45 0.44 -0.55 8.25 8.39 2fziA1 ILE 19 HA 0.27 0.33 1.21 -0.75 4.18 5.24 2fziA1 ILE 19 HB 0.16 -0.01 0.08 -0.04 1.89 2.07 2fziA1 ILE 19 HG12 0.07 0.02 -0.23 -0.04 1.49 1.30 2fziA1 ILE 19 HG13 -0.01 -0.00 -0.23 -0.04 1.21 0.93 2fziA1 ILE 19 HG23 0.23 0.06 -0.23 -0.04 0.93 0.95 2fziA1 ILE 19 HD13 0.28 -0.03 -0.22 -0.04 0.88 0.87 2fziA1 GLY 20 H -0.27 0.25 0.36 -0.55 8.43 8.22 2fziA1 GLY 20 HA2 -0.43 0.24 0.76 -0.51 4.01 4.07 2fziA1 GLY 20 HA3 -0.22 -0.02 0.34 -0.51 4.01 3.60 2fziA1 ARG 21 H -0.26 0.56 0.16 -0.55 8.46 8.37 2fziA1 ARG 21 HA -0.22 -0.02 0.97 -0.75 4.34 4.32 2fziA1 ARG 21 HB2 -0.22 0.13 -0.01 -0.04 1.90 1.76 2fziA1 ARG 21 HB3 -0.18 0.01 0.10 -0.04 1.80 1.69 2fziA1 ARG 21 HG2 -0.09 0.08 0.02 -0.04 1.67 1.64 2fziA1 ARG 21 HG3 -0.11 -0.01 0.06 -0.04 1.67 1.57 2fziA1 ARG 21 HD2 -0.29 -0.13 -0.03 -0.04 3.22 2.72 2fziA1 ARG 21 HD3 -0.27 0.26 -0.14 -0.04 3.22 3.03 2fziA1 SER 22 H -0.11 0.22 0.05 -0.55 8.46 8.07 2fziA1 SER 22 HA -0.07 0.10 0.45 -0.75 4.49 4.22 2fziA1 SER 22 HB2 -0.06 0.04 0.17 -0.04 3.95 4.05 2fziA1 SER 22 HB3 -0.04 0.06 0.10 -0.04 3.93 4.01 2fziA1 ASN 23 H -0.09 0.52 0.23 -0.55 8.53 8.65 2fziA1 ASN 23 HA -0.08 -0.06 0.27 -0.75 4.76 4.14 2fziA1 ASN 23 HB2 -0.04 -0.06 -0.09 -0.04 2.88 2.65 2fziA1 ASN 23 HB3 -0.05 0.19 0.08 -0.04 2.79 2.97 2fziA1 ASN 23 HD21 -0.02 0.05 -0.00 -0.04 7.03 7.02 2fziA1 ASN 23 HD22 -0.04 0.07 0.02 -0.04 7.74 7.75 2fziA1 SER 24 H -0.15 -0.02 -0.47 -0.55 8.46 7.27 2fziA1 SER 24 HA -0.15 0.16 0.43 -0.75 4.49 4.18 2fziA1 SER 24 HB2 -0.14 -0.01 0.13 -0.04 3.95 3.89 2fziA1 SER 24 HB3 -0.10 0.23 -0.25 -0.04 3.93 3.76 2fziA1 LEU 25 H -0.26 0.22 0.14 -0.55 8.37 7.93 2fziA1 LEU 25 HA -0.72 0.20 0.70 -0.75 4.35 3.78 2fziA1 LEU 25 HB2 -0.39 0.06 0.24 -0.04 1.64 1.50 2fziA1 LEU 25 HB3 -1.09 0.01 0.10 -0.04 1.64 0.62 2fziA1 LEU 25 HG -0.24 -0.01 0.09 -0.04 1.64 1.43 2fziA1 LEU 25 HD13 -0.08 0.00 0.04 -0.04 0.93 0.85 2fziA1 LEU 25 HD23 -0.28 0.01 0.03 -0.04 0.89 0.62 2fziA1 PRO 26 HA -0.22 0.10 0.40 -0.51 4.44 4.20 2fziA1 PRO 26 HB2 -0.08 0.05 0.10 -0.04 2.28 2.30 2fziA1 PRO 26 HB3 -0.25 -0.04 0.02 -0.04 2.02 1.71 2fziA1 PRO 26 HG2 -0.82 0.03 -0.20 -0.04 2.03 1.00 2fziA1 PRO 26 HG3 -0.42 0.01 -0.22 -0.04 2.03 1.37 2fziA1 PRO 26 HD2 -1.72 0.22 0.09 -0.04 3.68 2.22 2fziA1 PRO 26 HD3 -0.64 -0.03 0.20 -0.04 3.65 3.14 2fziA1 TRP 27 H -0.62 0.28 -0.90 -0.55 7.97 6.19 2fziA1 TRP 27 HA 0.08 0.12 0.48 -0.75 4.62 4.55 2fziA1 TRP 27 HB2 0.08 -0.03 -0.10 -0.04 3.23 3.15 2fziA1 TRP 27 HB3 0.02 0.13 -0.16 -0.04 3.23 3.18 2fziA1 TRP 27 HD1 -0.07 -0.13 -0.27 -0.04 7.22 6.70 2fziA1 TRP 27 HE1 -0.12 0.01 -0.06 -0.04 10.20 9.99 2fziA1 TRP 27 HE3 -0.14 0.08 -0.31 -0.04 7.59 7.18 2fziA1 TRP 27 HZ2 -0.11 0.11 -0.05 -0.04 7.44 7.35 2fziA1 TRP 27 HZ3 -0.16 -0.02 -0.18 -0.04 7.13 6.73 2fziA1 TRP 27 HH2 -0.13 0.21 0.05 -0.04 7.19 7.29 2fziA1 LYS 28 H 0.25 0.22 -0.01 -0.55 8.42 8.33 2fziA1 LYS 28 HA 0.10 0.20 0.87 -0.75 4.32 4.74 2fziA1 LYS 28 HB2 0.06 -0.02 0.09 -0.04 1.87 1.95 2fziA1 LYS 28 HB3 0.04 0.09 0.00 -0.04 1.79 1.88 2fziA1 LYS 28 HG2 0.11 -0.02 0.03 -0.04 1.46 1.54 2fziA1 LYS 28 HG3 0.08 -0.02 0.14 -0.04 1.46 1.62 2fziA1 LYS 28 HD2 0.03 -0.01 0.03 -0.04 1.69 1.70 2fziA1 LYS 28 HD3 0.03 0.04 -0.01 -0.04 1.68 1.70 2fziA1 LYS 28 HE2 0.02 0.02 0.00 -0.04 2.99 2.99 2fziA1 LYS 28 HE3 0.05 0.03 -0.01 -0.04 2.99 3.01 2fziA1 LEU 29 H 0.22 0.30 -0.15 -0.55 8.37 8.20 2fziA1 LEU 29 HA 0.11 0.17 0.83 -0.75 4.35 4.71 2fziA1 LEU 29 HB2 0.05 0.07 0.07 -0.04 1.64 1.78 2fziA1 LEU 29 HB3 -0.06 -0.21 0.04 -0.04 1.64 1.37 2fziA1 LEU 29 HG -0.01 0.04 -0.09 -0.04 1.64 1.53 2fziA1 LEU 29 HD13 0.20 0.04 -0.38 -0.04 0.93 0.75 2fziA1 LEU 29 HD23 -0.72 0.02 -0.14 -0.04 0.89 0.01 2fziA1 LYS 30 H 0.08 0.29 0.02 -0.55 8.42 8.25 2fziA1 LYS 30 HA 0.04 0.12 0.35 -0.75 4.32 4.08 2fziA1 LYS 30 HB2 0.05 0.04 0.09 -0.04 1.87 2.00 2fziA1 LYS 30 HB3 0.06 0.01 0.03 -0.04 1.79 1.85 2fziA1 LYS 30 HG2 0.03 0.02 -0.02 -0.04 1.46 1.45 2fziA1 LYS 30 HG3 0.01 0.02 0.02 -0.04 1.46 1.48 2fziA1 LYS 30 HD2 0.03 0.04 -0.02 -0.04 1.69 1.71 2fziA1 LYS 30 HD3 0.03 -0.01 -0.00 -0.04 1.68 1.66 2fziA1 LYS 30 HE2 0.04 0.02 -0.05 -0.04 2.99 2.96 2fziA1 LYS 30 HE3 0.04 0.03 -0.02 -0.04 2.99 2.99 2fziA1 LYS 31 H 0.13 0.07 -0.18 -0.55 8.42 7.89 2fziA1 LYS 31 HA 0.14 0.16 0.42 -0.75 4.32 4.29 2fziA1 LYS 31 HB2 0.25 -0.06 0.00 -0.04 1.87 2.02 2fziA1 LYS 31 HB3 0.25 0.08 -0.08 -0.04 1.79 2.01 2fziA1 LYS 31 HG2 0.11 -0.06 0.00 -0.04 1.46 1.47 2fziA1 LYS 31 HG3 0.11 0.06 -0.02 -0.04 1.46 1.57 2fziA1 LYS 31 HD2 0.13 0.04 0.00 -0.04 1.69 1.82 2fziA1 LYS 31 HD3 0.10 -0.01 -0.06 -0.04 1.68 1.67 2fziA1 LYS 31 HE2 0.06 -0.02 -0.02 -0.04 2.99 2.97 2fziA1 LYS 31 HE3 0.07 0.02 -0.01 -0.04 2.99 3.02 2fziA1 GLU 32 H 0.14 0.05 -0.31 -0.55 8.60 7.92 2fziA1 GLU 32 HA 0.36 0.09 0.32 -0.75 4.29 4.31 2fziA1 GLU 32 HB2 -0.25 -0.07 0.04 -0.04 2.09 1.77 2fziA1 GLU 32 HB3 0.04 0.10 0.06 -0.04 1.99 2.15 2fziA1 GLU 32 HG2 -0.16 0.01 -0.06 -0.04 2.34 2.09 2fziA1 GLU 32 HG3 -0.29 0.01 -0.08 -0.04 2.34 1.94 2fziA1 ILE 33 H 0.11 0.47 -0.12 -0.55 8.25 8.17 2fziA1 ILE 33 HA 0.17 0.02 0.35 -0.75 4.18 3.97 2fziA1 ILE 33 HB 0.04 0.10 0.09 -0.04 1.89 2.08 2fziA1 ILE 33 HG12 0.05 0.07 0.06 -0.04 1.49 1.63 2fziA1 ILE 33 HG13 -0.04 0.00 -0.01 -0.04 1.21 1.13 2fziA1 ILE 33 HG23 0.00 0.01 -0.10 -0.04 0.93 0.80 2fziA1 ILE 33 HD13 -0.04 -0.00 -0.01 -0.04 0.88 0.79 2fziA1 SER 34 H 0.13 0.30 -0.45 -0.55 8.46 7.89 2fziA1 SER 34 HA 0.06 0.04 0.38 -0.75 4.49 4.21 2fziA1 SER 34 HB2 0.08 0.01 0.11 -0.04 3.95 4.10 2fziA1 SER 34 HB3 0.13 0.18 0.17 -0.04 3.93 4.37 2fziA1 TYR 35 H 0.26 0.42 -0.24 -0.55 8.29 8.18 2fziA1 TYR 35 HA -0.11 0.04 0.44 -0.75 4.56 4.18 2fziA1 TYR 35 HB2 -0.19 -0.02 0.10 -0.04 3.06 2.90 2fziA1 TYR 35 HB3 0.05 0.21 0.21 -0.04 2.98 3.40 2fziA1 TYR 35 HD2 -0.24 0.01 -0.10 -0.04 7.15 6.78 2fziA1 TYR 35 HE2 -0.13 0.00 -0.13 -0.04 6.85 6.55 2fziA1 PHE 36 H 0.31 0.51 -0.07 -0.55 8.34 8.54 2fziA1 PHE 36 HA -0.15 -0.01 0.32 -0.75 4.62 4.02 2fziA1 PHE 36 HB2 0.08 -0.07 0.02 -0.04 3.15 3.14 2fziA1 PHE 36 HB3 0.02 0.12 0.16 -0.04 3.06 3.33 2fziA1 PHE 36 HD2 -0.02 0.00 -0.06 -0.04 7.28 7.16 2fziA1 PHE 36 HE2 -0.01 -0.00 -0.06 -0.04 7.38 7.27 2fziA1 PHE 36 HZ 0.01 -0.02 -0.08 -0.04 7.32 7.18 2fziA1 LYS 37 H 0.03 0.58 -0.19 -0.55 8.42 8.28 2fziA1 LYS 37 HA -0.46 0.03 0.35 -0.75 4.32 3.49 2fziA1 LYS 37 HB2 -0.00 -0.03 0.06 -0.04 1.87 1.86 2fziA1 LYS 37 HB3 -0.04 0.06 0.11 -0.04 1.79 1.88 2fziA1 LYS 37 HG2 -0.08 0.03 -0.24 -0.04 1.46 1.12 2fziA1 LYS 37 HG3 -0.09 0.02 -0.02 -0.04 1.46 1.33 2fziA1 LYS 37 HD2 0.01 -0.04 -0.03 -0.04 1.69 1.59 2fziA1 LYS 37 HD3 -0.00 -0.03 -0.04 -0.04 1.68 1.56 2fziA1 LYS 37 HE2 -0.00 0.05 -0.04 -0.04 2.99 2.95 2fziA1 LYS 37 HE3 0.02 -0.05 -0.04 -0.04 2.99 2.88 2fziA1 ARG 38 H -0.15 0.48 -0.20 -0.55 8.46 8.04 2fziA1 ARG 38 HA -0.10 0.01 0.34 -0.75 4.34 3.83 2fziA1 ARG 38 HB2 -0.07 0.03 0.12 -0.04 1.90 1.94 2fziA1 ARG 38 HB3 -0.20 0.04 0.15 -0.04 1.80 1.75 2fziA1 ARG 38 HG2 -0.11 0.04 -0.18 -0.04 1.67 1.37 2fziA1 ARG 38 HG3 -0.05 -0.05 -0.01 -0.04 1.67 1.53 2fziA1 ARG 38 HD2 -0.14 -0.00 -0.13 -0.04 3.22 2.90 2fziA1 ARG 38 HD3 -0.10 -0.04 -0.12 -0.04 3.22 2.92 2fziA1 VAL 39 H -0.45 0.68 -0.09 -0.55 8.24 7.84 2fziA1 VAL 39 HA -0.23 0.09 0.45 -0.75 4.13 3.68 2fziA1 VAL 39 HB -0.51 0.02 0.09 -0.04 2.12 1.68 2fziA1 VAL 39 HG13 -0.01 -0.01 -0.17 -0.04 0.97 0.74 2fziA1 VAL 39 HG23 -0.89 0.01 -0.03 -0.04 0.95 0.01 2fziA1 THR 40 H -0.65 0.55 -0.08 -0.55 8.28 7.56 2fziA1 THR 40 HA -1.34 0.03 0.33 -0.75 4.39 2.66 2fziA1 THR 40 HB -0.53 -0.06 -0.01 -0.04 4.32 3.68 2fziA1 THR 40 HG23 -0.91 -0.02 -0.02 -0.04 1.22 0.22 2fziA1 SER 41 H -0.25 0.22 -0.58 -0.55 8.46 7.30 2fziA1 SER 41 HA -0.11 0.13 0.74 -0.75 4.49 4.50 2fziA1 SER 41 HB2 -0.10 0.02 0.04 -0.04 3.95 3.86 2fziA1 SER 41 HB3 -0.08 -0.09 0.01 -0.04 3.93 3.73 2fziA1 PHE 42 H 0.01 0.36 -0.05 -0.55 8.34 8.10 2fziA1 PHE 42 HA -0.10 -0.07 0.44 -0.75 4.62 4.13 2fziA1 PHE 42 HB2 -0.14 0.05 0.15 -0.04 3.15 3.18 2fziA1 PHE 42 HB3 -0.16 0.06 0.16 -0.04 3.06 3.09 2fziA1 PHE 42 HD2 -0.14 -0.03 -0.15 -0.04 7.28 6.91 2fziA1 PHE 42 HE2 -0.10 -0.08 -0.11 -0.04 7.38 7.05 2fziA1 PHE 42 HZ -0.06 -0.13 -0.02 -0.04 7.32 7.07 2fziA1 VAL 43 H -0.85 0.19 0.20 -0.55 8.24 7.22 2fziA1 VAL 43 HA -0.37 0.15 0.73 -0.75 4.13 3.88 2fziA1 VAL 43 HB -0.26 0.01 0.06 -0.04 2.12 1.88 2fziA1 VAL 43 HG13 -0.15 0.04 -0.29 -0.04 0.97 0.53 2fziA1 VAL 43 HG23 -0.13 0.06 -0.28 -0.04 0.95 0.56 2fziA1 PRO 44 HA -0.17 0.04 0.45 -0.51 4.44 4.24 2fziA1 PRO 44 HB2 0.01 -0.13 0.08 -0.04 2.28 2.20 2fziA1 PRO 44 HB3 0.03 0.01 0.10 -0.04 2.02 2.12 2fziA1 PRO 44 HG2 -0.03 0.05 0.06 -0.04 2.03 2.07 2fziA1 PRO 44 HG3 0.01 0.12 0.05 -0.04 2.03 2.17 2fziA1 PRO 44 HD2 -0.13 0.09 0.12 -0.04 3.68 3.72 2fziA1 PRO 44 HD3 -0.20 0.27 0.11 -0.04 3.65 3.78 2fziA1 THR 45 H -0.02 0.15 0.23 -0.55 8.28 8.09 2fziA1 THR 45 HA -0.08 0.17 0.42 -0.75 4.39 4.14 2fziA1 THR 45 HB 0.07 0.03 0.03 -0.04 4.32 4.41 2fziA1 THR 45 HG23 0.02 0.02 0.12 -0.04 1.22 1.34 2fziA1 PHE 46 H 0.23 0.07 -0.12 -0.55 8.34 7.97 2fziA1 PHE 46 HA 0.20 0.07 0.37 -0.75 4.62 4.51 2fziA1 PHE 46 HB2 0.03 -0.02 0.10 -0.04 3.15 3.21 2fziA1 PHE 46 HB3 0.02 -0.02 0.03 -0.04 3.06 3.05 2fziA1 PHE 46 HD2 -0.02 -0.00 -0.09 -0.04 7.28 7.12 2fziA1 PHE 46 HE2 -0.08 0.00 -0.02 -0.04 7.38 7.25 2fziA1 PHE 46 HZ -0.08 -0.00 -0.01 -0.04 7.32 7.19 2fziA1 ASP 47 H 0.15 0.12 -0.31 -0.55 8.40 7.81 2fziA1 ASP 47 HA -0.01 0.08 0.56 -0.75 4.63 4.51 2fziA1 ASP 47 HB2 -0.00 0.11 -0.01 -0.04 2.71 2.77 2fziA1 ASP 47 HB3 0.02 0.02 0.02 -0.04 2.70 2.72 2fziA1 SER 48 H 0.00 0.37 -0.31 -0.55 8.46 7.98 2fziA1 SER 48 HA -0.11 0.11 0.32 -0.75 4.49 4.06 2fziA1 SER 48 HB2 -0.18 0.18 0.15 -0.04 3.95 4.05 2fziA1 SER 48 HB3 -0.20 -0.07 0.06 -0.04 3.93 3.68 2fziA1 PHE 49 H 0.27 0.18 -0.61 -0.55 8.34 7.63 2fziA1 PHE 49 HA -0.09 0.02 0.42 -0.75 4.62 4.22 2fziA1 PHE 49 HB2 -0.20 0.04 0.08 -0.04 3.15 3.03 2fziA1 PHE 49 HB3 -0.12 -0.03 0.01 -0.04 3.06 2.87 2fziA1 PHE 49 HD2 -0.16 0.10 0.03 -0.04 7.28 7.21 2fziA1 PHE 49 HE2 -0.08 -0.07 -0.02 -0.04 7.38 7.17 2fziA1 PHE 49 HZ -0.05 -0.07 -0.01 -0.04 7.32 7.15 2fziA1 GLU 50 H 0.04 0.28 -0.08 -0.55 8.60 8.29 2fziA1 GLU 50 HA 0.01 0.17 0.75 -0.75 4.29 4.46 2fziA1 GLU 50 HB2 0.02 0.20 0.32 -0.04 2.09 2.58 2fziA1 GLU 50 HB3 0.03 -0.02 -0.06 -0.04 1.99 1.89 2fziA1 GLU 50 HG2 0.00 0.02 -0.08 -0.04 2.34 2.24 2fziA1 GLU 50 HG3 -0.00 0.02 0.01 -0.04 2.34 2.33 2fziA1 SER 51 H -0.03 0.29 0.01 -0.55 8.46 8.19 2fziA1 SER 51 HA -0.03 0.39 1.14 -0.75 4.49 5.24 2fziA1 SER 51 HB2 -0.04 0.02 -0.10 -0.04 3.95 3.79 2fziA1 SER 51 HB3 -0.04 -0.05 -0.17 -0.04 3.93 3.63 2fziA1 MET 52 H -0.07 0.64 0.33 -0.55 8.47 8.81 2fziA1 MET 52 HA -0.07 0.26 0.94 -0.75 4.52 4.89 2fziA1 MET 52 HB2 -0.11 -0.06 -0.06 -0.04 2.15 1.88 2fziA1 MET 52 HB3 -0.07 0.03 -0.01 -0.04 2.03 1.94 2fziA1 MET 52 HG2 -0.06 0.13 -0.07 -0.04 2.63 2.59 2fziA1 MET 52 HG3 -0.05 -0.01 -0.44 -0.04 2.56 2.02 2fziA1 MET 52 HE3 -0.03 0.02 -0.40 -0.04 2.10 1.64 2fziA1 ASN 53 H -0.04 0.33 0.25 -0.55 8.53 8.53 2fziA1 ASN 53 HA 0.01 -0.06 0.91 -0.75 4.76 4.86 2fziA1 ASN 53 HB2 0.05 0.23 0.17 -0.04 2.88 3.29 2fziA1 ASN 53 HB3 0.27 0.00 0.15 -0.04 2.79 3.18 2fziA1 ASN 53 HD21 0.02 0.65 -0.31 -0.04 7.03 7.34 2fziA1 ASN 53 HD22 0.01 0.13 -0.47 -0.04 7.74 7.37 2fziA1 VAL 54 H 0.08 0.72 0.53 -0.55 8.24 9.02 2fziA1 VAL 54 HA 0.02 0.28 1.09 -0.75 4.13 4.77 2fziA1 VAL 54 HB -0.01 -0.08 0.16 -0.04 2.12 2.15 2fziA1 VAL 54 HG13 0.02 -0.00 -0.21 -0.04 0.97 0.74 2fziA1 VAL 54 HG23 -0.11 -0.00 -0.12 -0.04 0.95 0.67 2fziA1 VAL 55 H 0.08 0.73 0.26 -0.55 8.24 8.75 2fziA1 VAL 55 HA 0.20 0.20 1.05 -0.75 4.13 4.82 2fziA1 VAL 55 HB 0.17 -0.08 -0.06 -0.04 2.12 2.10 2fziA1 VAL 55 HG13 0.04 0.02 -0.22 -0.04 0.97 0.76 2fziA1 VAL 55 HG23 0.11 -0.01 -0.08 -0.04 0.95 0.92 2fziA1 LEU 56 H 0.13 0.92 0.41 -0.55 8.37 9.28 2fziA1 LEU 56 HA 0.05 0.31 0.95 -0.75 4.35 4.92 2fziA1 LEU 56 HB2 0.06 -0.10 0.20 -0.04 1.64 1.76 2fziA1 LEU 56 HB3 0.03 -0.07 0.05 -0.04 1.64 1.60 2fziA1 LEU 56 HG 0.05 0.14 -0.06 -0.04 1.64 1.72 2fziA1 LEU 56 HD13 -0.01 -0.02 -0.11 -0.04 0.93 0.75 2fziA1 LEU 56 HD23 0.01 0.00 -0.14 -0.04 0.89 0.72 2fziA1 MET 57 H 0.04 0.64 0.44 -0.55 8.47 9.04 2fziA1 MET 57 HA 0.01 0.06 0.87 -0.75 4.52 4.70 2fziA1 MET 57 HB2 0.08 -0.09 -0.02 -0.04 2.15 2.08 2fziA1 MET 57 HB3 0.13 0.06 -0.29 -0.04 2.03 1.88 2fziA1 MET 57 HG2 0.12 0.06 -0.04 -0.04 2.63 2.73 2fziA1 MET 57 HG3 0.19 0.09 -0.28 -0.04 2.56 2.51 2fziA1 MET 57 HE3 0.25 -0.00 -0.15 -0.04 2.10 2.16 2fziA1 GLY 58 H -0.04 0.36 0.24 -0.55 8.43 8.45 2fziA1 GLY 58 HA2 -0.01 0.23 0.72 -0.51 4.01 4.44 2fziA1 GLY 58 HA3 -0.03 -0.11 0.47 -0.51 4.01 3.83 2fziA1 ARG 59 H 0.00 0.27 0.30 -0.55 8.46 8.48 2fziA1 ARG 59 HA 0.07 0.17 0.40 -0.75 4.34 4.23 2fziA1 ARG 59 HB2 -0.01 0.14 0.20 -0.04 1.90 2.19 2fziA1 ARG 59 HB3 0.02 -0.09 0.18 -0.04 1.80 1.88 2fziA1 ARG 59 HG2 0.06 0.05 0.05 -0.04 1.67 1.79 2fziA1 ARG 59 HG3 -0.00 0.05 0.04 -0.04 1.67 1.72 2fziA1 ARG 59 HD2 0.08 -0.02 -0.31 -0.04 3.22 2.93 2fziA1 ARG 59 HD3 0.06 0.05 -0.03 -0.04 3.22 3.26 2fziA1 LYS 60 H 0.03 0.04 -0.02 -0.55 8.42 7.91 2fziA1 LYS 60 HA 0.04 0.16 0.39 -0.75 4.32 4.15 2fziA1 LYS 60 HB2 -0.01 -0.15 0.13 -0.04 1.87 1.81 2fziA1 LYS 60 HB3 -0.01 0.08 -0.04 -0.04 1.79 1.77 2fziA1 LYS 60 HG2 -0.01 0.07 0.05 -0.04 1.46 1.53 2fziA1 LYS 60 HG3 0.01 0.04 0.06 -0.04 1.46 1.53 2fziA1 LYS 60 HD2 -0.00 -0.09 0.09 -0.04 1.69 1.65 2fziA1 LYS 60 HD3 -0.01 -0.03 0.06 -0.04 1.68 1.66 2fziA1 LYS 60 HE2 0.00 0.05 0.03 -0.04 2.99 3.03 2fziA1 LYS 60 HE3 -0.00 -0.00 0.05 -0.04 2.99 2.99 2fziA1 THR 61 H 0.02 -0.02 -0.30 -0.55 8.28 7.43 2fziA1 THR 61 HA -0.02 0.09 0.32 -0.75 4.39 4.02 2fziA1 THR 61 HB 0.02 0.08 -0.05 -0.04 4.32 4.33 2fziA1 THR 61 HG23 -0.01 0.05 -0.19 -0.04 1.22 1.03 2fziA1 TRP 62 H 0.24 0.31 -0.38 -0.55 7.97 7.59 2fziA1 TRP 62 HA -0.00 0.06 0.35 -0.75 4.62 4.27 2fziA1 TRP 62 HB2 -0.00 -0.03 -0.01 -0.04 3.23 3.15 2fziA1 TRP 62 HB3 -0.01 0.09 0.16 -0.04 3.23 3.43 2fziA1 TRP 62 HD1 -0.01 -0.02 -0.16 -0.04 7.22 7.00 2fziA1 TRP 62 HE1 -0.00 -0.00 -0.08 -0.04 10.20 10.08 2fziA1 TRP 62 HE3 0.02 -0.02 -0.05 -0.04 7.59 7.50 2fziA1 TRP 62 HZ2 -0.00 0.03 -0.05 -0.04 7.44 7.38 2fziA1 TRP 62 HZ3 0.02 -0.05 -0.00 -0.04 7.13 7.06 2fziA1 TRP 62 HH2 -0.00 -0.01 -0.03 -0.04 7.19 7.11 2fziA1 GLU 63 H 0.16 0.37 -0.14 -0.55 8.60 8.44 2fziA1 GLU 63 HA -0.16 0.08 0.47 -0.75 4.29 3.94 2fziA1 GLU 63 HB2 0.03 0.05 0.10 -0.04 2.09 2.23 2fziA1 GLU 63 HB3 0.01 -0.04 0.08 -0.04 1.99 2.00 2fziA1 GLU 63 HG2 0.22 -0.01 0.01 -0.04 2.34 2.52 2fziA1 GLU 63 HG3 0.26 0.24 0.08 -0.04 2.34 2.88 2fziA1 SER 64 H -0.04 0.21 -0.42 -0.55 8.46 7.67 2fziA1 SER 64 HA -0.07 0.06 0.48 -0.75 4.49 4.20 2fziA1 SER 64 HB2 -0.06 0.00 0.09 -0.04 3.95 3.94 2fziA1 SER 64 HB3 -0.06 0.01 0.12 -0.04 3.93 3.96 2fziA1 ILE 65 H -0.18 0.28 -0.52 -0.55 8.25 7.29 2fziA1 ILE 65 HA -0.08 0.06 0.61 -0.75 4.18 4.02 2fziA1 ILE 65 HB -0.33 0.12 0.05 -0.04 1.89 1.69 2fziA1 ILE 65 HG12 -0.07 -0.06 -0.07 -0.04 1.49 1.25 2fziA1 ILE 65 HG13 -0.08 0.30 0.02 -0.04 1.21 1.41 2fziA1 ILE 65 HG23 -0.05 -0.00 -0.32 -0.04 0.93 0.51 2fziA1 ILE 65 HD13 0.03 -0.03 -0.09 -0.04 0.88 0.75 2fziA1 PRO 66 HA -0.05 0.04 0.41 -0.51 4.44 4.33 2fziA1 PRO 66 HB2 0.37 -0.07 0.09 -0.04 2.28 2.62 2fziA1 PRO 66 HB3 0.06 0.00 0.09 -0.04 2.02 2.13 2fziA1 PRO 66 HG2 0.17 -0.00 0.09 -0.04 2.03 2.25 2fziA1 PRO 66 HG3 0.04 0.09 0.09 -0.04 2.03 2.20 2fziA1 PRO 66 HD2 0.10 0.04 0.18 -0.04 3.68 3.96 2fziA1 PRO 66 HD3 -0.02 0.37 0.35 -0.04 3.65 4.32 2fziA1 LEU 67 H -0.11 0.15 0.19 -0.55 8.37 8.06 2fziA1 LEU 67 HA -0.19 0.13 0.36 -0.75 4.35 3.90 2fziA1 LEU 67 HB2 -0.11 -0.08 0.10 -0.04 1.64 1.51 2fziA1 LEU 67 HB3 -0.10 0.06 0.05 -0.04 1.64 1.61 2fziA1 LEU 67 HG -0.10 -0.01 0.14 -0.04 1.64 1.63 2fziA1 LEU 67 HD13 -0.05 -0.01 0.03 -0.04 0.93 0.86 2fziA1 LEU 67 HD23 -0.12 0.02 0.04 -0.04 0.89 0.80 2fziA1 GLN 68 H -0.21 -0.02 -0.39 -0.55 8.47 7.30 2fziA1 GLN 68 HA -0.27 0.07 0.36 -0.75 4.36 3.77 2fziA1 GLN 68 HB2 -0.94 0.04 -0.05 -0.04 2.15 1.16 2fziA1 GLN 68 HB3 -0.35 -0.02 0.06 -0.04 2.02 1.67 2fziA1 GLN 68 HG2 -0.23 -0.11 -0.03 -0.04 2.40 1.99 2fziA1 GLN 68 HG3 -0.62 0.05 -0.08 -0.04 2.39 1.70 2fziA1 GLN 68 HE21 0.06 -0.00 -0.01 -0.04 6.97 6.98 2fziA1 GLN 68 HE22 0.06 -0.02 0.01 -0.04 7.69 7.69 2fziA1 PHE 69 H -0.14 0.70 -0.29 -0.55 8.34 8.06 2fziA1 PHE 69 HA -0.03 0.16 0.75 -0.75 4.62 4.75 2fziA1 PHE 69 HB2 -0.05 0.02 -0.03 -0.04 3.15 3.05 2fziA1 PHE 69 HB3 -0.01 -0.04 0.08 -0.04 3.06 3.05 2fziA1 PHE 69 HD2 -0.03 0.05 -0.03 -0.04 7.28 7.23 2fziA1 PHE 69 HE2 -0.01 -0.02 -0.04 -0.04 7.38 7.27 2fziA1 PHE 69 HZ -0.01 -0.03 -0.04 -0.04 7.32 7.20 2fziA1 ARG 70 H -0.11 0.51 -0.35 -0.55 8.46 7.96 2fziA1 ARG 70 HA -0.11 -0.04 0.73 -0.75 4.34 4.17 2fziA1 ARG 70 HB2 -0.37 0.04 -0.33 -0.04 1.90 1.20 2fziA1 ARG 70 HB3 -0.30 -0.04 0.03 -0.04 1.80 1.45 2fziA1 ARG 70 HG2 -0.59 0.00 -0.19 -0.04 1.67 0.85 2fziA1 ARG 70 HG3 -1.41 -0.06 -0.02 -0.04 1.67 0.14 2fziA1 ARG 70 HD2 -0.50 -0.07 -0.07 -0.04 3.22 2.53 2fziA1 ARG 70 HD3 -2.06 -0.08 -0.07 -0.04 3.22 0.97 2fziA1 PRO 71 HA 0.02 0.02 0.36 -0.51 4.44 4.33 2fziA1 PRO 71 HB2 0.24 0.09 0.01 -0.04 2.28 2.58 2fziA1 PRO 71 HB3 0.54 -0.05 0.06 -0.04 2.02 2.53 2fziA1 PRO 71 HG2 0.09 0.07 -0.09 -0.04 2.03 2.06 2fziA1 PRO 71 HG3 0.14 -0.02 0.03 -0.04 2.03 2.14 2fziA1 PRO 71 HD2 0.05 0.12 0.38 -0.04 3.68 4.20 2fziA1 PRO 71 HD3 0.13 -0.00 0.04 -0.04 3.65 3.78 2fziA1 LEU 72 H 0.16 0.02 0.09 -0.55 8.37 8.09 2fziA1 LEU 72 HA 0.08 0.11 0.46 -0.75 4.35 4.25 2fziA1 LEU 72 HB2 0.10 -0.02 0.06 -0.04 1.64 1.73 2fziA1 LEU 72 HB3 0.06 0.08 -0.03 -0.04 1.64 1.70 2fziA1 LEU 72 HG 0.17 -0.10 0.06 -0.04 1.64 1.73 2fziA1 LEU 72 HD13 0.23 -0.01 -0.08 -0.04 0.93 1.03 2fziA1 LEU 72 HD23 0.14 0.07 -0.02 -0.04 0.89 1.04 2fziA1 LYS 73 H 0.05 0.11 0.21 -0.55 8.42 8.23 2fziA1 LYS 73 HA 0.02 0.06 0.42 -0.75 4.32 4.06 2fziA1 LYS 73 HB2 0.02 -0.03 0.04 -0.04 1.87 1.86 2fziA1 LYS 73 HB3 0.01 -0.04 0.05 -0.04 1.79 1.76 2fziA1 LYS 73 HG2 0.02 -0.01 0.01 -0.04 1.46 1.44 2fziA1 LYS 73 HG3 0.04 0.17 0.10 -0.04 1.46 1.73 2fziA1 LYS 73 HD2 0.04 -0.05 0.02 -0.04 1.69 1.66 2fziA1 LYS 73 HD3 0.02 -0.05 0.00 -0.04 1.68 1.61 2fziA1 LYS 73 HE2 0.00 -0.01 -0.02 -0.04 2.99 2.92 2fziA1 LYS 73 HE3 0.04 0.09 -0.02 -0.04 2.99 3.05 2fziA1 GLY 74 H -0.00 0.11 0.15 -0.55 8.43 8.14 2fziA1 GLY 74 HA2 -0.03 -0.01 0.33 -0.51 4.01 3.80 2fziA1 GLY 74 HA3 -0.04 0.09 0.46 -0.51 4.01 4.02 2fziA1 ARG 75 H -0.00 0.23 -0.32 -0.55 8.46 7.81 2fziA1 ARG 75 HA -0.03 0.16 0.75 -0.75 4.34 4.47 2fziA1 ARG 75 HB2 -0.01 -0.01 -0.25 -0.04 1.90 1.59 2fziA1 ARG 75 HB3 0.00 -0.05 -0.22 -0.04 1.80 1.49 2fziA1 ARG 75 HG2 -0.05 0.17 -0.09 -0.04 1.67 1.66 2fziA1 ARG 75 HG3 -0.07 0.11 -0.51 -0.04 1.67 1.16 2fziA1 ARG 75 HD2 -0.15 -0.14 -0.29 -0.04 3.22 2.60 2fziA1 ARG 75 HD3 -0.21 -0.04 -0.70 -0.04 3.22 2.23 2fziA1 ILE 76 H -0.03 0.72 0.25 -0.55 8.25 8.64 2fziA1 ILE 76 HA 0.00 0.04 0.59 -0.75 4.18 4.06 2fziA1 ILE 76 HB -0.08 -0.04 0.09 -0.04 1.89 1.82 2fziA1 ILE 76 HG12 -0.08 -0.01 -0.08 -0.04 1.49 1.28 2fziA1 ILE 76 HG13 -0.12 0.05 -0.09 -0.04 1.21 1.01 2fziA1 ILE 76 HG23 0.10 -0.01 -0.17 -0.04 0.93 0.81 2fziA1 ILE 76 HD13 -0.68 0.00 -0.17 -0.04 0.88 -0.01 2fziA1 ASN 77 H 0.02 0.16 0.23 -0.55 8.53 8.40 2fziA1 ASN 77 HA 0.08 0.24 0.87 -0.75 4.76 5.20 2fziA1 ASN 77 HB2 0.08 -0.06 0.11 -0.04 2.88 2.98 2fziA1 ASN 77 HB3 0.16 -0.04 0.01 -0.04 2.79 2.88 2fziA1 ASN 77 HD21 0.08 0.46 -0.01 -0.04 7.03 7.52 2fziA1 ASN 77 HD22 0.06 -0.31 -0.29 -0.04 7.74 7.17 2fziA1 VAL 78 H 0.05 0.58 0.29 -0.55 8.24 8.61 2fziA1 VAL 78 HA -0.01 0.21 0.69 -0.75 4.13 4.27 2fziA1 VAL 78 HB 0.03 -0.04 0.01 -0.04 2.12 2.09 2fziA1 VAL 78 HG13 0.02 -0.04 -0.29 -0.04 0.97 0.62 2fziA1 VAL 78 HG23 0.15 0.01 -0.33 -0.04 0.95 0.75 2fziA1 VAL 79 H -0.19 0.53 0.13 -0.55 8.24 8.17 2fziA1 VAL 79 HA -0.09 0.24 0.88 -0.75 4.13 4.42 2fziA1 VAL 79 HB -0.40 0.05 0.11 -0.04 2.12 1.84 2fziA1 VAL 79 HG13 -0.21 -0.01 -0.29 -0.04 0.97 0.42 2fziA1 VAL 79 HG23 -0.93 0.01 -0.10 -0.04 0.95 -0.11 2fziA1 ILE 80 H -0.04 0.70 0.36 -0.55 8.25 8.72 2fziA1 ILE 80 HA -0.03 0.34 0.75 -0.75 4.18 4.49 2fziA1 ILE 80 HB -0.01 -0.14 0.08 -0.04 1.89 1.77 2fziA1 ILE 80 HG12 -0.01 0.12 -0.06 -0.04 1.49 1.49 2fziA1 ILE 80 HG13 0.00 -0.07 -0.17 -0.04 1.21 0.93 2fziA1 ILE 80 HG23 0.01 -0.04 -0.33 -0.04 0.93 0.53 2fziA1 ILE 80 HD13 0.00 0.01 -0.31 -0.04 0.88 0.55 2fziA1 THR 81 H -0.04 0.88 0.38 -0.55 8.28 8.95 2fziA1 THR 81 HA -0.03 -0.04 0.61 -0.75 4.39 4.18 2fziA1 THR 81 HB -0.05 -0.02 -0.03 -0.04 4.32 4.18 2fziA1 THR 81 HG23 -0.09 0.05 -0.24 -0.04 1.22 0.90 2fziA1 ARG 82 H -0.02 0.02 0.20 -0.55 8.46 8.11 2fziA1 ARG 82 HA -0.04 0.22 0.84 -0.75 4.34 4.61 2fziA1 ARG 82 HB2 -0.01 -0.04 0.09 -0.04 1.90 1.89 2fziA1 ARG 82 HB3 -0.02 0.04 0.10 -0.04 1.80 1.89 2fziA1 ARG 82 HG2 -0.02 0.09 0.04 -0.04 1.67 1.74 2fziA1 ARG 82 HG3 -0.01 -0.10 -0.09 -0.04 1.67 1.43 2fziA1 ARG 82 HD2 -0.00 -0.05 0.02 -0.04 3.22 3.15 2fziA1 ARG 82 HD3 -0.00 0.02 0.03 -0.04 3.22 3.23 2fziA1 ASN 83 H -0.02 -0.07 0.09 -0.55 8.53 7.99 2fziA1 ASN 83 HA -0.02 0.17 0.72 -0.75 4.76 4.88 2fziA1 ASN 83 HB2 -0.01 -0.02 0.09 -0.04 2.88 2.90 2fziA1 ASN 83 HB3 -0.01 -0.03 0.17 -0.04 2.79 2.88 2fziA1 ASN 83 HD21 0.00 0.02 -0.08 -0.04 7.03 6.93 2fziA1 ASN 83 HD22 0.00 -0.03 -0.07 -0.04 7.74 7.60 2fziA1 GLU 84 H -0.02 0.29 0.08 -0.55 8.60 8.40 2fziA1 GLU 84 HA -0.03 0.09 0.88 -0.75 4.29 4.48 2fziA1 GLU 84 HB2 -0.03 0.06 -0.03 -0.04 2.09 2.05 2fziA1 GLU 84 HB3 -0.04 0.05 -0.14 -0.04 1.99 1.81 2fziA1 GLU 84 HG2 -0.04 0.03 -0.06 -0.04 2.34 2.23 2fziA1 GLU 84 HG3 -0.03 0.05 -0.04 -0.04 2.34 2.27 2fziA1 SER 85 H -0.01 0.04 0.01 -0.55 8.46 7.95 2fziA1 SER 85 HA -0.01 0.26 0.92 -0.75 4.49 4.92 2fziA1 SER 85 HB2 0.00 0.07 0.01 -0.04 3.95 3.99 2fziA1 SER 85 HB3 -0.00 0.01 -0.04 -0.04 3.93 3.85 2fziA1 LEU 86 H 0.00 0.05 0.09 -0.55 8.37 7.97 2fziA1 LEU 86 HA 0.00 0.24 0.58 -0.75 4.35 4.42 2fziA1 LEU 86 HB2 0.01 0.01 0.18 -0.04 1.64 1.80 2fziA1 LEU 86 HB3 0.00 0.11 -0.02 -0.04 1.64 1.69 2fziA1 LEU 86 HG 0.01 -0.11 -0.12 -0.04 1.64 1.37 2fziA1 LEU 86 HD13 0.02 0.00 -0.12 -0.04 0.93 0.79 2fziA1 LEU 86 HD23 0.01 0.02 -0.03 -0.04 0.89 0.84 2fziA1 ASP 87 H -0.00 -0.01 0.00 -0.55 8.40 7.84 2fziA1 ASP 87 HA 0.04 0.00 0.45 -0.75 4.63 4.37 2fziA1 ASP 87 HB2 -0.04 0.02 0.15 -0.04 2.71 2.81 2fziA1 ASP 87 HB3 -0.02 0.13 0.06 -0.04 2.70 2.84 2fziA1 LEU 88 H 0.06 0.07 0.30 -0.55 8.37 8.25 2fziA1 LEU 88 HA 0.03 0.08 0.39 -0.75 4.35 4.08 2fziA1 LEU 88 HB2 0.07 -0.03 0.08 -0.04 1.64 1.71 2fziA1 LEU 88 HB3 0.04 -0.04 0.16 -0.04 1.64 1.77 2fziA1 LEU 88 HG 0.03 0.12 0.18 -0.04 1.64 1.94 2fziA1 LEU 88 HD13 0.03 -0.01 0.05 -0.04 0.93 0.95 2fziA1 LEU 88 HD23 0.02 -0.00 0.02 -0.04 0.89 0.88 2fziA1 GLY 89 H 0.04 0.27 0.23 -0.55 8.43 8.42 2fziA1 GLY 89 HA2 0.14 0.07 0.33 -0.51 4.01 4.05 2fziA1 GLY 89 HA3 0.04 0.12 0.43 -0.51 4.01 4.09 2fziA1 ASN 90 H 0.07 0.19 0.07 -0.55 8.53 8.32 2fziA1 ASN 90 HA 0.02 0.22 0.93 -0.75 4.76 5.18 2fziA1 ASN 90 HB2 0.05 0.03 0.18 -0.04 2.88 3.10 2fziA1 ASN 90 HB3 0.02 0.05 0.20 -0.04 2.79 3.02 2fziA1 ASN 90 HD21 0.02 -0.00 -0.02 -0.04 7.03 6.99 2fziA1 ASN 90 HD22 0.03 0.05 0.03 -0.04 7.74 7.81 2fziA1 GLY 91 H -0.02 0.19 -0.23 -0.55 8.43 7.83 2fziA1 GLY 91 HA2 -0.04 0.03 0.23 -0.51 4.01 3.73 2fziA1 GLY 91 HA3 -0.05 0.18 0.62 -0.51 4.01 4.26 2fziA1 ILE 92 H -0.06 -0.13 -0.24 -0.55 8.25 7.27 2fziA1 ILE 92 HA -0.22 0.11 0.45 -0.75 4.18 3.77 2fziA1 ILE 92 HB -0.17 -0.08 0.11 -0.04 1.89 1.72 2fziA1 ILE 92 HG12 0.19 0.01 0.00 -0.04 1.49 1.65 2fziA1 ILE 92 HG13 0.02 0.08 0.00 -0.04 1.21 1.28 2fziA1 ILE 92 HG23 -0.52 0.06 -0.20 -0.04 0.93 0.22 2fziA1 ILE 92 HD13 0.10 -0.04 -0.08 -0.04 0.88 0.82 2fziA1 HIS 93 H -0.42 0.26 0.30 -0.55 8.41 8.01 2fziA1 HIS 93 HA -0.05 0.05 0.34 -0.75 4.63 4.21 2fziA1 HIS 93 HB2 -0.02 -0.02 0.11 -0.04 3.26 3.29 2fziA1 HIS 93 HB3 -0.02 -0.06 0.05 -0.04 3.20 3.13 2fziA1 HIS 93 HD2 0.11 -0.01 -0.06 -0.04 6.97 6.96 2fziA1 HIS 93 HE1 -0.02 -0.01 0.02 -0.04 7.75 7.70 2fziA1 SER 94 H 0.04 0.21 0.14 -0.55 8.46 8.31 2fziA1 SER 94 HA -0.09 0.21 0.93 -0.75 4.49 4.78 2fziA1 SER 94 HB2 -0.10 0.12 -0.13 -0.04 3.95 3.79 2fziA1 SER 94 HB3 -0.05 -0.04 0.09 -0.04 3.93 3.89 2fziA1 ALA 95 H -0.05 0.58 0.23 -0.55 8.40 8.62 2fziA1 ALA 95 HA -0.03 0.22 0.94 -0.75 4.34 4.72 2fziA1 ALA 95 HB3 0.02 -0.02 -0.14 -0.04 1.41 1.23 2fziA1 LYS 96 H -0.07 0.16 0.14 -0.55 8.42 8.09 2fziA1 LYS 96 HA -0.03 0.33 0.78 -0.75 4.32 4.64 2fziA1 LYS 96 HB2 -0.07 -0.04 0.15 -0.04 1.87 1.87 2fziA1 LYS 96 HB3 -0.10 0.14 0.13 -0.04 1.79 1.92 2fziA1 LYS 96 HG2 -0.31 0.00 0.12 -0.04 1.46 1.23 2fziA1 LYS 96 HG3 -0.49 -0.07 -0.03 -0.04 1.46 0.82 2fziA1 LYS 96 HD2 -0.20 -0.02 0.02 -0.04 1.69 1.46 2fziA1 LYS 96 HD3 -0.18 0.06 0.04 -0.04 1.68 1.56 2fziA1 LYS 96 HE2 -0.39 0.04 0.02 -0.04 2.99 2.63 2fziA1 LYS 96 HE3 -1.12 -0.05 0.01 -0.04 2.99 1.79 2fziA1 SER 97 H 0.09 0.23 -0.12 -0.55 8.46 8.11 2fziA1 SER 97 HA 0.07 0.17 0.42 -0.75 4.49 4.39 2fziA1 SER 97 HB2 0.11 0.05 0.16 -0.04 3.95 4.23 2fziA1 SER 97 HB3 0.23 0.21 -0.27 -0.04 3.93 4.07 2fziA1 LEU 98 H 0.06 0.24 0.11 -0.55 8.37 8.24 2fziA1 LEU 98 HA 0.02 0.13 0.39 -0.75 4.35 4.13 2fziA1 LEU 98 HB2 0.04 -0.01 0.09 -0.04 1.64 1.72 2fziA1 LEU 98 HB3 0.08 0.06 0.02 -0.04 1.64 1.76 2fziA1 LEU 98 HG -0.15 0.05 -0.07 -0.04 1.64 1.43 2fziA1 LEU 98 HD13 -0.01 -0.00 -0.03 -0.04 0.93 0.85 2fziA1 LEU 98 HD23 0.01 0.02 -0.12 -0.04 0.89 0.76 2fziA1 ASP 99 H 0.06 0.09 -0.12 -0.55 8.40 7.88 2fziA1 ASP 99 HA 0.07 0.23 0.57 -0.75 4.63 4.74 2fziA1 ASP 99 HB2 -0.04 -0.05 0.05 -0.04 2.71 2.63 2fziA1 ASP 99 HB3 -0.03 0.09 -0.02 -0.04 2.70 2.70 2fziA1 HIS 100 H 0.08 -0.02 -0.31 -0.55 8.41 7.62 2fziA1 HIS 100 HA 0.02 0.15 0.44 -0.75 4.63 4.48 2fziA1 HIS 100 HB2 0.01 -0.13 0.10 -0.04 3.26 3.19 2fziA1 HIS 100 HB3 0.00 0.03 0.06 -0.04 3.20 3.25 2fziA1 HIS 100 HD2 0.01 0.06 0.04 -0.04 6.97 7.03 2fziA1 HIS 100 HE1 0.01 0.04 -0.03 -0.04 7.75 7.73 2fziA1 ALA 101 H 0.07 0.31 -0.43 -0.55 8.40 7.81 2fziA1 ALA 101 HA 0.02 0.05 0.38 -0.75 4.34 4.03 2fziA1 ALA 101 HB3 0.00 0.05 0.01 -0.04 1.41 1.44 2fziA1 LEU 102 H 0.01 0.29 -0.19 -0.55 8.37 7.93 2fziA1 LEU 102 HA -0.18 0.04 0.39 -0.75 4.35 3.85 2fziA1 LEU 102 HB2 0.10 0.06 0.21 -0.04 1.64 1.97 2fziA1 LEU 102 HB3 0.21 0.09 0.08 -0.04 1.64 1.98 2fziA1 LEU 102 HG -0.04 0.15 0.12 -0.04 1.64 1.83 2fziA1 LEU 102 HD13 0.02 -0.01 0.03 -0.04 0.93 0.94 2fziA1 LEU 102 HD23 -0.07 -0.02 -0.07 -0.04 0.89 0.69 2fziA1 GLU 103 H 0.06 0.43 -0.14 -0.55 8.60 8.40 2fziA1 GLU 103 HA 0.18 0.12 0.48 -0.75 4.29 4.32 2fziA1 GLU 103 HB2 0.06 -0.00 0.04 -0.04 2.09 2.15 2fziA1 GLU 103 HB3 0.06 0.01 0.11 -0.04 1.99 2.13 2fziA1 GLU 103 HG2 0.06 0.04 0.23 -0.04 2.34 2.63 2fziA1 GLU 103 HG3 0.09 0.05 0.07 -0.04 2.34 2.51 2fziA1 LEU 104 H 0.02 0.37 -0.30 -0.55 8.37 7.91 2fziA1 LEU 104 HA -0.03 0.03 0.42 -0.75 4.35 4.01 2fziA1 LEU 104 HB2 -0.01 0.03 0.13 -0.04 1.64 1.75 2fziA1 LEU 104 HB3 -0.05 0.10 0.14 -0.04 1.64 1.79 2fziA1 LEU 104 HG -0.27 0.01 -0.18 -0.04 1.64 1.17 2fziA1 LEU 104 HD13 -0.08 -0.01 0.05 -0.04 0.93 0.86 2fziA1 LEU 104 HD23 -0.04 -0.01 -0.06 -0.04 0.89 0.74 2fziA1 LEU 105 H -0.09 0.50 -0.15 -0.55 8.37 8.09 2fziA1 LEU 105 HA 0.05 0.03 0.43 -0.75 4.35 4.10 2fziA1 LEU 105 HB2 -0.35 0.07 0.11 -0.04 1.64 1.43 2fziA1 LEU 105 HB3 -0.14 0.00 -0.04 -0.04 1.64 1.42 2fziA1 LEU 105 HG -0.07 0.10 0.02 -0.04 1.64 1.65 2fziA1 LEU 105 HD13 -0.13 -0.03 -0.16 -0.04 0.93 0.57 2fziA1 LEU 105 HD23 0.03 -0.01 -0.10 -0.04 0.89 0.77 2fziA1 TYR 106 H -0.08 0.61 -0.08 -0.55 8.29 8.19 2fziA1 TYR 106 HA 0.07 0.11 0.34 -0.75 4.56 4.33 2fziA1 TYR 106 HB2 0.02 0.09 0.08 -0.04 3.06 3.21 2fziA1 TYR 106 HB3 0.02 -0.03 -0.03 -0.04 2.98 2.90 2fziA1 TYR 106 HD2 0.03 0.07 -0.10 -0.04 7.15 7.10 2fziA1 TYR 106 HE2 0.02 0.14 -0.14 -0.04 6.85 6.84 2fziA1 ARG 107 H 0.06 0.31 -0.49 -0.55 8.46 7.80 2fziA1 ARG 107 HA 0.04 0.04 0.54 -0.75 4.34 4.20 2fziA1 ARG 107 HB2 0.03 0.06 0.10 -0.04 1.90 2.05 2fziA1 ARG 107 HB3 -0.02 0.06 0.14 -0.04 1.80 1.94 2fziA1 ARG 107 HG2 -0.03 -0.01 -0.14 -0.04 1.67 1.45 2fziA1 ARG 107 HG3 0.00 -0.04 0.05 -0.04 1.67 1.63 2fziA1 ARG 107 HD2 -0.01 -0.05 -0.01 -0.04 3.22 3.11 2fziA1 ARG 107 HD3 0.01 -0.01 -0.01 -0.04 3.22 3.17 2fziA1 THR 108 H -0.09 0.52 -0.02 -0.55 8.28 8.15 2fziA1 THR 108 HA -0.22 -0.01 0.49 -0.75 4.39 3.91 2fziA1 THR 108 HB -0.49 0.04 0.13 -0.04 4.32 3.96 2fziA1 THR 108 HG23 -0.63 -0.03 0.01 -0.04 1.22 0.53 2fziA1 TYR 109 H 0.05 0.54 -0.28 -0.55 8.29 8.06 2fziA1 TYR 109 HA 0.02 0.10 0.94 -0.75 4.56 4.86 2fziA1 TYR 109 HB2 0.00 0.02 0.19 -0.04 3.06 3.23 2fziA1 TYR 109 HB3 0.02 0.12 0.17 -0.04 2.98 3.25 2fziA1 TYR 109 HD2 -0.02 0.20 0.05 -0.04 7.15 7.34 2fziA1 TYR 109 HE2 0.03 -0.06 -0.06 -0.04 6.85 6.73 2fziA1 GLY 110 H 0.04 0.10 -0.09 -0.55 8.43 7.93 2fziA1 GLY 110 HA2 0.10 0.25 0.70 -0.51 4.01 4.55 2fziA1 GLY 110 HA3 0.05 -0.02 0.38 -0.51 4.01 3.92 2fziA1 SER 111 H 0.04 0.15 0.17 -0.55 8.46 8.28 2fziA1 SER 111 HA 0.04 0.15 0.36 -0.75 4.49 4.30 2fziA1 SER 111 HB2 0.02 0.02 0.13 -0.04 3.95 4.08 2fziA1 SER 111 HB3 0.03 0.00 0.14 -0.04 3.93 4.06 2fziA1 GLU 112 H 0.03 -0.13 -0.69 -0.55 8.60 7.27 2fziA1 GLU 112 HA 0.02 0.17 0.72 -0.75 4.29 4.44 2fziA1 GLU 112 HB2 0.01 -0.07 -0.01 -0.04 2.09 1.98 2fziA1 GLU 112 HB3 0.01 0.00 -0.04 -0.04 1.99 1.92 2fziA1 GLU 112 HG2 0.01 0.02 0.02 -0.04 2.34 2.35 2fziA1 GLU 112 HG3 0.01 0.00 0.03 -0.04 2.34 2.34 2fziA1 SER 113 H 0.04 0.17 -0.17 -0.55 8.46 7.95 2fziA1 SER 113 HA 0.02 -0.04 0.40 -0.75 4.49 4.12 2fziA1 SER 113 HB2 0.02 -0.16 0.23 -0.04 3.95 4.00 2fziA1 SER 113 HB3 0.11 0.26 0.01 -0.04 3.93 4.27 2fziA1 SER 114 H 0.04 0.03 0.19 -0.55 8.46 8.18 2fziA1 SER 114 HA 0.03 0.12 0.49 -0.75 4.49 4.38 2fziA1 SER 114 HB2 0.03 -0.03 0.14 -0.04 3.95 4.05 2fziA1 SER 114 HB3 0.05 -0.05 0.13 -0.04 3.93 4.02 2fziA1 VAL 115 H 0.13 -0.01 -0.00 -0.55 8.24 7.81 2fziA1 VAL 115 HA 0.06 0.26 0.80 -0.75 4.13 4.50 2fziA1 VAL 115 HB 0.32 -0.06 0.06 -0.04 2.12 2.39 2fziA1 VAL 115 HG13 -0.02 0.01 -0.24 -0.04 0.97 0.67 2fziA1 VAL 115 HG23 0.09 -0.02 -0.07 -0.04 0.95 0.91 2fziA1 GLN 116 H 0.02 0.83 0.35 -0.55 8.47 9.13 2fziA1 GLN 116 HA 0.07 0.14 0.84 -0.75 4.36 4.67 2fziA1 GLN 116 HB2 0.02 0.04 0.04 -0.04 2.15 2.20 2fziA1 GLN 116 HB3 0.04 -0.01 -0.02 -0.04 2.02 1.98 2fziA1 GLN 116 HG2 0.04 0.10 -0.27 -0.04 2.40 2.23 2fziA1 GLN 116 HG3 0.03 -0.09 -0.09 -0.04 2.39 2.20 2fziA1 GLN 116 HE21 0.07 0.38 -0.11 -0.04 6.97 7.26 2fziA1 GLN 116 HE22 0.06 0.29 -0.42 -0.04 7.69 7.58 2fziA1 ILE 117 H 0.01 0.16 0.12 -0.55 8.25 7.99 2fziA1 ILE 117 HA -0.13 0.26 0.63 -0.75 4.18 4.19 2fziA1 ILE 117 HB -0.01 -0.02 0.04 -0.04 1.89 1.85 2fziA1 ILE 117 HG12 -0.36 0.01 -0.10 -0.04 1.49 1.00 2fziA1 ILE 117 HG13 -0.20 0.03 -0.02 -0.04 1.21 0.98 2fziA1 ILE 117 HG23 -0.09 -0.00 -0.27 -0.04 0.93 0.53 2fziA1 ILE 117 HD13 -0.13 -0.01 -0.11 -0.04 0.88 0.59 2fziA1 ASN 118 H -0.05 0.55 0.19 -0.55 8.53 8.68 2fziA1 ASN 118 HA -0.01 0.13 0.78 -0.75 4.76 4.91 2fziA1 ASN 118 HB2 -0.05 0.00 -0.17 -0.04 2.88 2.63 2fziA1 ASN 118 HB3 -0.03 -0.06 -0.07 -0.04 2.79 2.59 2fziA1 ASN 118 HD21 -0.04 -0.05 -0.04 -0.04 7.03 6.86 2fziA1 ASN 118 HD22 -0.02 0.02 0.02 -0.04 7.74 7.73 2fziA1 ARG 119 H 0.00 0.18 0.17 -0.55 8.46 8.26 2fziA1 ARG 119 HA -0.03 0.21 0.98 -0.75 4.34 4.74 2fziA1 ARG 119 HB2 0.05 0.08 0.06 -0.04 1.90 2.05 2fziA1 ARG 119 HB3 -0.30 0.00 -0.04 -0.04 1.80 1.42 2fziA1 ARG 119 HG2 0.01 -0.01 -0.02 -0.04 1.67 1.61 2fziA1 ARG 119 HG3 -0.06 -0.04 -0.23 -0.04 1.67 1.30 2fziA1 ARG 119 HD2 -0.17 0.14 -0.03 -0.04 3.22 3.13 2fziA1 ARG 119 HD3 -0.17 -0.04 -0.06 -0.04 3.22 2.90 2fziA1 ILE 120 H -0.12 0.28 0.19 -0.55 8.25 8.05 2fziA1 ILE 120 HA 0.00 0.13 1.07 -0.75 4.18 4.62 2fziA1 ILE 120 HB -0.05 0.06 0.13 -0.04 1.89 1.98 2fziA1 ILE 120 HG12 -0.04 -0.01 -0.25 -0.04 1.49 1.14 2fziA1 ILE 120 HG13 -0.06 -0.00 -0.12 -0.04 1.21 0.99 2fziA1 ILE 120 HG23 -0.03 -0.02 -0.20 -0.04 0.93 0.64 2fziA1 ILE 120 HD13 -0.11 0.01 -0.13 -0.04 0.88 0.61 2fziA1 PHE 121 H 0.22 0.86 0.38 -0.55 8.34 9.24 2fziA1 PHE 121 HA 0.11 0.32 1.11 -0.75 4.62 5.41 2fziA1 PHE 121 HB2 0.07 0.13 0.22 -0.04 3.15 3.54 2fziA1 PHE 121 HB3 0.14 -0.07 -0.06 -0.04 3.06 3.02 2fziA1 PHE 121 HD2 0.10 0.04 -0.13 -0.04 7.28 7.25 2fziA1 PHE 121 HE2 0.20 0.02 -0.13 -0.04 7.38 7.42 2fziA1 PHE 121 HZ 0.21 0.09 -0.13 -0.04 7.32 7.45 2fziA1 VAL 122 H 0.25 0.68 0.42 -0.55 8.24 9.04 2fziA1 VAL 122 HA 0.14 0.13 0.88 -0.75 4.13 4.52 2fziA1 VAL 122 HB 0.21 -0.01 0.21 -0.04 2.12 2.49 2fziA1 VAL 122 HG13 0.17 -0.03 -0.13 -0.04 0.97 0.94 2fziA1 VAL 122 HG23 0.07 0.00 -0.09 -0.04 0.95 0.89 2fziA1 ILE 123 H 0.16 0.73 0.29 -0.55 8.25 8.88 2fziA1 ILE 123 HA 0.33 0.31 1.15 -0.75 4.18 5.22 2fziA1 ILE 123 HB 0.32 -0.01 0.14 -0.04 1.89 2.30 2fziA1 ILE 123 HG12 0.17 0.17 -0.16 -0.04 1.49 1.63 2fziA1 ILE 123 HG13 0.11 -0.11 -0.34 -0.04 1.21 0.83 2fziA1 ILE 123 HG23 0.34 0.02 -0.16 -0.04 0.93 1.09 2fziA1 ILE 123 HD13 0.29 0.01 -0.14 -0.04 0.88 0.99 2fziA1 GLY 124 H -0.13 0.13 0.07 -0.55 8.43 7.96 2fziA1 GLY 124 HA2 -0.50 0.06 0.44 -0.51 4.01 3.50 2fziA1 GLY 124 HA3 -0.14 0.14 0.42 -0.51 4.01 3.92 2fziA1 GLY 125 H -0.37 0.25 0.06 -0.55 8.43 7.82 2fziA1 GLY 125 HA2 -0.14 0.06 0.44 -0.51 4.01 3.86 2fziA1 GLY 125 HA3 -0.18 0.04 0.86 -0.51 4.01 4.23 2fziA1 ALA 126 H -0.04 0.20 0.15 -0.55 8.40 8.17 2fziA1 ALA 126 HA 0.20 0.15 0.44 -0.75 4.34 4.38 2fziA1 ALA 126 HB3 0.05 0.06 0.12 -0.04 1.41 1.59 2fziA1 GLN 127 H -0.04 0.01 -0.09 -0.55 8.47 7.81 2fziA1 GLN 127 HA -0.02 0.17 0.43 -0.75 4.36 4.19 2fziA1 GLN 127 HB2 -0.02 0.02 0.14 -0.04 2.15 2.25 2fziA1 GLN 127 HB3 -0.03 -0.09 0.12 -0.04 2.02 1.98 2fziA1 GLN 127 HG2 -0.01 0.01 -0.09 -0.04 2.40 2.27 2fziA1 GLN 127 HG3 -0.01 0.06 0.06 -0.04 2.39 2.46 2fziA1 GLN 127 HE21 -0.00 0.03 0.02 -0.04 6.97 6.98 2fziA1 GLN 127 HE22 0.00 0.03 0.00 -0.04 7.69 7.68 2fziA1 LEU 128 H -0.09 0.00 -0.15 -0.55 8.37 7.59 2fziA1 LEU 128 HA -0.02 0.05 0.36 -0.75 4.35 3.99 2fziA1 LEU 128 HB2 -0.07 -0.13 0.16 -0.04 1.64 1.56 2fziA1 LEU 128 HB3 -0.16 0.20 -0.00 -0.04 1.64 1.63 2fziA1 LEU 128 HG -0.03 -0.02 -0.16 -0.04 1.64 1.39 2fziA1 LEU 128 HD13 -0.00 0.01 -0.16 -0.04 0.93 0.74 2fziA1 LEU 128 HD23 0.00 -0.01 -0.03 -0.04 0.89 0.81 2fziA1 TYR 129 H -0.10 0.55 -0.36 -0.55 8.29 7.83 2fziA1 TYR 129 HA -0.02 0.03 0.33 -0.75 4.56 4.15 2fziA1 TYR 129 HB2 -0.17 0.06 0.16 -0.04 3.06 3.08 2fziA1 TYR 129 HB3 -0.39 -0.02 -0.06 -0.04 2.98 2.47 2fziA1 TYR 129 HD2 0.10 -0.05 -0.14 -0.04 7.15 7.03 2fziA1 TYR 129 HE2 0.14 0.09 -0.15 -0.04 6.85 6.89 2fziA1 LYS 130 H -0.01 0.49 -0.21 -0.55 8.42 8.13 2fziA1 LYS 130 HA -0.14 0.02 0.45 -0.75 4.32 3.90 2fziA1 LYS 130 HB2 -0.07 0.02 0.17 -0.04 1.87 1.96 2fziA1 LYS 130 HB3 -0.03 0.14 0.23 -0.04 1.79 2.09 2fziA1 LYS 130 HG2 -0.02 0.00 -0.19 -0.04 1.46 1.21 2fziA1 LYS 130 HG3 -0.05 0.01 0.03 -0.04 1.46 1.41 2fziA1 LYS 130 HD2 -0.03 -0.02 0.02 -0.04 1.69 1.62 2fziA1 LYS 130 HD3 -0.01 -0.04 0.01 -0.04 1.68 1.60 2fziA1 LYS 130 HE2 -0.00 -0.01 -0.01 -0.04 2.99 2.92 2fziA1 LYS 130 HE3 -0.01 0.03 -0.01 -0.04 2.99 2.95 2fziA1 ALA 131 H 0.01 0.36 -0.17 -0.55 8.40 8.05 2fziA1 ALA 131 HA 0.03 0.06 0.41 -0.75 4.34 4.09 2fziA1 ALA 131 HB3 0.04 -0.00 0.09 -0.04 1.41 1.50 2fziA1 ALA 132 H 0.06 0.47 -0.15 -0.55 8.40 8.23 2fziA1 ALA 132 HA 0.10 -0.01 0.46 -0.75 4.34 4.13 2fziA1 ALA 132 HB3 0.10 0.00 0.06 -0.04 1.41 1.53 2fziA1 MET 133 H 0.01 0.64 -0.11 -0.55 8.47 8.47 2fziA1 MET 133 HA 0.08 0.03 0.34 -0.75 4.52 4.21 2fziA1 MET 133 HB2 -0.10 0.12 0.12 -0.04 2.15 2.25 2fziA1 MET 133 HB3 -0.10 -0.04 -0.03 -0.04 2.03 1.83 2fziA1 MET 133 HG2 -0.18 0.14 0.04 -0.04 2.63 2.60 2fziA1 MET 133 HG3 -0.35 -0.13 -0.05 -0.04 2.56 1.98 2fziA1 MET 133 HE3 -0.29 -0.01 -0.08 -0.04 2.10 1.68 2fziA1 ASP 134 H 0.05 0.20 -0.58 -0.55 8.40 7.52 2fziA1 ASP 134 HA 0.05 0.09 0.54 -0.75 4.63 4.56 2fziA1 ASP 134 HB2 0.04 0.05 0.07 -0.04 2.71 2.84 2fziA1 ASP 134 HB3 0.03 -0.08 0.08 -0.04 2.70 2.69 2fziA1 HIS 135 H 0.16 0.46 -0.22 -0.55 8.41 8.26 2fziA1 HIS 135 HA 0.03 0.06 0.59 -0.75 4.63 4.56 2fziA1 HIS 135 HB2 0.04 0.04 0.16 -0.04 3.26 3.46 2fziA1 HIS 135 HB3 0.05 0.00 0.18 -0.04 3.20 3.39 2fziA1 HIS 135 HD2 0.03 -0.08 -0.03 -0.04 6.97 6.84 2fziA1 HIS 135 HE1 0.04 0.09 -0.01 -0.04 7.75 7.82 2fziA1 PRO 136 HA 0.02 0.18 0.44 -0.51 4.44 4.57 2fziA1 PRO 136 HB2 -0.03 0.02 0.09 -0.04 2.28 2.31 2fziA1 PRO 136 HB3 -0.05 0.04 0.13 -0.04 2.02 2.10 2fziA1 PRO 136 HG2 -0.21 0.01 0.03 -0.04 2.03 1.82 2fziA1 PRO 136 HG3 -0.17 0.01 0.08 -0.04 2.03 1.92 2fziA1 PRO 136 HD2 -0.87 -0.02 0.25 -0.04 3.68 3.01 2fziA1 PRO 136 HD3 -0.20 0.24 0.27 -0.04 3.65 3.92 2fziA1 LYS 137 H 0.58 -0.01 -0.47 -0.55 8.42 7.97 2fziA1 LYS 137 HA 0.11 0.24 0.80 -0.75 4.32 4.72 2fziA1 LYS 137 HB2 0.22 -0.07 -0.01 -0.04 1.87 1.97 2fziA1 LYS 137 HB3 0.12 0.04 0.17 -0.04 1.79 2.07 2fziA1 LYS 137 HG2 0.20 -0.10 -0.16 -0.04 1.46 1.36 2fziA1 LYS 137 HG3 0.35 -0.05 -0.01 -0.04 1.46 1.71 2fziA1 LYS 137 HD2 0.10 0.07 0.01 -0.04 1.69 1.83 2fziA1 LYS 137 HD3 0.10 0.25 -0.20 -0.04 1.68 1.79 2fziA1 LYS 137 HE2 0.08 0.00 -0.01 -0.04 2.99 3.02 2fziA1 LYS 137 HE3 0.06 -0.07 -0.08 -0.04 2.99 2.85 2fziA1 LEU 138 H 0.19 0.41 -0.15 -0.55 8.37 8.26 2fziA1 LEU 138 HA 0.09 0.12 0.67 -0.75 4.35 4.47 2fziA1 LEU 138 HB2 0.13 -0.09 0.07 -0.04 1.64 1.71 2fziA1 LEU 138 HB3 0.18 0.22 0.13 -0.04 1.64 2.13 2fziA1 LEU 138 HG 0.12 -0.08 -0.25 -0.04 1.64 1.39 2fziA1 LEU 138 HD13 0.35 -0.00 -0.36 -0.04 0.93 0.88 2fziA1 LEU 138 HD23 0.08 0.04 -0.15 -0.04 0.89 0.81 2fziA1 ASP 139 H 0.08 0.40 0.38 -0.55 8.40 8.71 2fziA1 ASP 139 HA -0.02 0.24 0.92 -0.75 4.63 5.01 2fziA1 ASP 139 HB2 -0.04 0.15 0.27 -0.04 2.71 3.05 2fziA1 ASP 139 HB3 -0.00 0.01 -0.13 -0.04 2.70 2.54 2fziA1 ARG 140 H 0.15 0.18 0.25 -0.55 8.46 8.49 2fziA1 ARG 140 HA 0.22 0.34 1.08 -0.75 4.34 5.23 2fziA1 ARG 140 HB2 -0.18 0.06 -0.24 -0.04 1.90 1.49 2fziA1 ARG 140 HB3 -0.20 -0.04 0.09 -0.04 1.80 1.61 2fziA1 ARG 140 HG2 -0.35 -0.06 -0.23 -0.04 1.67 0.99 2fziA1 ARG 140 HG3 -0.33 0.04 -0.02 -0.04 1.67 1.32 2fziA1 ARG 140 HD2 -1.60 -0.00 -0.10 -0.04 3.22 1.47 2fziA1 ARG 140 HD3 -1.88 -0.01 -0.10 -0.04 3.22 1.18 2fziA1 ILE 141 H 0.09 0.79 0.36 -0.55 8.25 8.93 2fziA1 ILE 141 HA -0.13 0.31 1.14 -0.75 4.18 4.74 2fziA1 ILE 141 HB -0.39 -0.05 0.09 -0.04 1.89 1.49 2fziA1 ILE 141 HG12 -0.55 0.01 -0.11 -0.04 1.49 0.80 2fziA1 ILE 141 HG13 -0.64 -0.01 -0.48 -0.04 1.21 0.05 2fziA1 ILE 141 HG23 -0.72 -0.03 -0.36 -0.04 0.93 -0.22 2fziA1 ILE 141 HD13 -2.00 -0.01 -0.16 -0.04 0.88 -1.33 2fziA1 MET 142 H 0.04 0.81 0.34 -0.55 8.47 9.11 2fziA1 MET 142 HA 0.17 0.14 0.85 -0.75 4.52 4.93 2fziA1 MET 142 HB2 0.22 -0.06 0.29 -0.04 2.15 2.56 2fziA1 MET 142 HB3 0.29 0.00 0.08 -0.04 2.03 2.36 2fziA1 MET 142 HG2 0.14 0.03 -0.06 -0.04 2.63 2.70 2fziA1 MET 142 HG3 0.37 0.04 -0.05 -0.04 2.56 2.88 2fziA1 MET 142 HE3 0.36 0.01 -0.07 -0.04 2.10 2.36 2fziA1 ALA 143 H 0.24 0.54 0.25 -0.55 8.40 8.88 2fziA1 ALA 143 HA 0.05 0.36 1.15 -0.75 4.34 5.15 2fziA1 ALA 143 HB3 0.12 -0.03 -0.12 -0.04 1.41 1.34 2fziA1 THR 144 H 0.02 0.61 0.40 -0.55 8.28 8.76 2fziA1 THR 144 HA 0.03 0.22 0.99 -0.75 4.39 4.88 2fziA1 THR 144 HB -0.05 -0.10 0.23 -0.04 4.32 4.36 2fziA1 THR 144 HG23 -0.35 -0.02 -0.21 -0.04 1.22 0.60 2fziA1 ILE 145 H -0.15 0.51 0.21 -0.55 8.25 8.28 2fziA1 ILE 145 HA -0.35 0.23 0.70 -0.75 4.18 4.01 2fziA1 ILE 145 HB -0.44 -0.06 0.10 -0.04 1.89 1.44 2fziA1 ILE 145 HG12 -0.01 0.08 -0.07 -0.04 1.49 1.44 2fziA1 ILE 145 HG13 -0.01 0.01 -0.09 -0.04 1.21 1.08 2fziA1 ILE 145 HG23 -0.53 -0.00 -0.20 -0.04 0.93 0.16 2fziA1 ILE 145 HD13 -0.19 -0.01 -0.25 -0.04 0.88 0.40 2fziA1 ILE 146 H -0.48 0.67 0.37 -0.55 8.25 8.26 2fziA1 ILE 146 HA -0.40 0.18 0.94 -0.75 4.18 4.14 2fziA1 ILE 146 HB -0.63 -0.06 0.00 -0.04 1.89 1.15 2fziA1 ILE 146 HG12 -0.74 0.01 -0.23 -0.04 1.49 0.49 2fziA1 ILE 146 HG13 -0.71 0.12 -0.27 -0.04 1.21 0.30 2fziA1 ILE 146 HG23 -0.56 -0.01 -0.17 -0.04 0.93 0.16 2fziA1 ILE 146 HD13 -2.12 -0.01 -0.20 -0.04 0.88 -1.49 2fziA1 TYR 147 H -0.24 0.74 0.30 -0.55 8.29 8.53 2fziA1 TYR 147 HA -0.12 -0.01 0.58 -0.75 4.56 4.27 2fziA1 TYR 147 HB2 -0.06 0.05 0.25 -0.04 3.06 3.25 2fziA1 TYR 147 HB3 -0.06 -0.02 0.15 -0.04 2.98 3.01 2fziA1 TYR 147 HD2 -0.08 -0.02 -0.19 -0.04 7.15 6.82 2fziA1 TYR 147 HE2 -0.07 -0.01 -0.13 -0.04 6.85 6.60 2fziA1 LYS 148 H -0.15 0.47 0.12 -0.55 8.42 8.30 2fziA1 LYS 148 HA -0.05 0.08 0.53 -0.75 4.32 4.12 2fziA1 LYS 148 HB2 -0.19 0.17 -0.12 -0.04 1.87 1.69 2fziA1 LYS 148 HB3 -0.48 -0.05 -0.12 -0.04 1.79 1.10 2fziA1 LYS 148 HG2 -1.05 0.03 -0.09 -0.04 1.46 0.31 2fziA1 LYS 148 HG3 -0.24 -0.06 -0.29 -0.04 1.46 0.82 2fziA1 LYS 148 HD2 0.01 -0.03 0.09 -0.04 1.69 1.71 2fziA1 LYS 148 HD3 0.15 0.09 0.06 -0.04 1.68 1.94 2fziA1 LYS 148 HE2 0.06 -0.03 -0.07 -0.04 2.99 2.91 2fziA1 LYS 148 HE3 0.08 -0.01 -0.03 -0.04 2.99 2.98 2fziA1 ASP 149 H -0.03 0.22 0.06 -0.55 8.40 8.10 2fziA1 ASP 149 HA 0.00 0.03 0.59 -0.75 4.63 4.49 2fziA1 ASP 149 HB2 0.02 -0.02 0.11 -0.04 2.71 2.77 2fziA1 ASP 149 HB3 0.03 0.03 0.19 -0.04 2.70 2.91 2fziA1 ILE 150 H -0.07 0.43 -0.21 -0.55 8.25 7.85 2fziA1 ILE 150 HA 0.02 0.02 0.38 -0.75 4.18 3.84 2fziA1 ILE 150 HB 0.12 -0.05 -0.00 -0.04 1.89 1.92 2fziA1 ILE 150 HG12 -0.32 0.03 -0.04 -0.04 1.49 1.11 2fziA1 ILE 150 HG13 -0.34 -0.08 -0.14 -0.04 1.21 0.60 2fziA1 ILE 150 HG23 0.12 0.08 -0.09 -0.04 0.93 1.00 2fziA1 ILE 150 HD13 -0.35 0.03 -0.08 -0.04 0.88 0.44 2fziA1 HIS 151 H 0.16 0.09 0.17 -0.55 8.41 8.28 2fziA1 HIS 151 HA 0.06 0.06 0.48 -0.75 4.63 4.47 2fziA1 HIS 151 HB2 0.04 0.02 0.15 -0.04 3.26 3.43 2fziA1 HIS 151 HB3 0.02 -0.03 0.14 -0.04 3.20 3.28 2fziA1 HIS 151 HD2 0.09 0.00 0.09 -0.04 6.97 7.11 2fziA1 HIS 151 HE1 0.02 -0.02 -0.06 -0.04 7.75 7.65 2fziA1 CYS 152 H -0.07 0.25 0.27 -0.55 8.50 8.41 2fziA1 CYS 152 HA -0.34 0.13 0.82 -0.75 4.58 4.44 2fziA1 CYS 152 HB2 -0.69 -0.02 0.08 -0.04 2.97 2.29 2fziA1 CYS 152 HB3 -0.61 0.02 0.29 -0.04 2.97 2.63 2fziA1 ASP 153 H -0.28 0.44 0.50 -0.55 8.40 8.51 2fziA1 ASP 153 HA 0.01 0.22 0.97 -0.75 4.63 5.08 2fziA1 ASP 153 HB2 -0.02 -0.00 0.13 -0.04 2.71 2.78 2fziA1 ASP 153 HB3 -0.10 0.01 0.03 -0.04 2.70 2.60 2fziA1 VAL 154 H -0.33 0.31 0.30 -0.55 8.24 7.96 2fziA1 VAL 154 HA 0.07 0.22 0.93 -0.75 4.13 4.59 2fziA1 VAL 154 HB -0.12 -0.09 0.10 -0.04 2.12 1.97 2fziA1 VAL 154 HG13 0.02 -0.01 -0.02 -0.04 0.97 0.92 2fziA1 VAL 154 HG23 -0.05 0.01 -0.12 -0.04 0.95 0.75 2fziA1 PHE 155 H 0.25 0.22 0.15 -0.55 8.34 8.41 2fziA1 PHE 155 HA 0.13 0.11 1.12 -0.75 4.62 5.22 2fziA1 PHE 155 HB2 0.06 -0.02 -0.06 -0.04 3.15 3.08 2fziA1 PHE 155 HB3 0.13 0.16 0.00 -0.04 3.06 3.31 2fziA1 PHE 155 HD2 0.08 0.05 -0.36 -0.04 7.28 7.00 2fziA1 PHE 155 HE2 0.04 0.02 -0.17 -0.04 7.38 7.23 2fziA1 PHE 155 HZ 0.05 0.04 -0.03 -0.04 7.32 7.34 2fziA1 PHE 156 H 0.44 0.72 0.28 -0.55 8.34 9.23 2fziA1 PHE 156 HA 0.12 0.02 0.50 -0.75 4.62 4.50 2fziA1 PHE 156 HB2 0.13 0.03 0.05 -0.04 3.15 3.32 2fziA1 PHE 156 HB3 0.23 -0.02 0.05 -0.04 3.06 3.28 2fziA1 PHE 156 HD2 -0.12 0.04 -0.08 -0.04 7.28 7.08 2fziA1 PHE 156 HE2 -0.79 0.02 -0.06 -0.04 7.38 6.52 2fziA1 PHE 156 HZ -0.58 0.05 -0.09 -0.04 7.32 6.66 2fziA1 PRO 157 HA -0.10 0.10 0.37 -0.51 4.44 4.30 2fziA1 PRO 157 HB2 -0.19 0.06 0.03 -0.04 2.28 2.14 2fziA1 PRO 157 HB3 -0.14 -0.00 0.11 -0.04 2.02 1.95 2fziA1 PRO 157 HG2 -0.75 0.08 -0.08 -0.04 2.03 1.24 2fziA1 PRO 157 HG3 -0.34 0.01 -0.16 -0.04 2.03 1.49 2fziA1 PRO 157 HD2 -1.68 0.05 0.16 -0.04 3.68 2.17 2fziA1 PRO 157 HD3 -0.26 0.11 0.27 -0.04 3.65 3.72 2fziA1 LEU 158 H -0.26 0.14 -0.34 -0.55 8.37 7.35 2fziA1 LEU 158 HA -0.13 0.16 0.81 -0.75 4.35 4.44 2fziA1 LEU 158 HB2 -0.26 0.06 -0.33 -0.04 1.64 1.07 2fziA1 LEU 158 HB3 -0.25 -0.03 -0.02 -0.04 1.64 1.30 2fziA1 LEU 158 HG -0.45 -0.02 -0.07 -0.04 1.64 1.06 2fziA1 LEU 158 HD13 -0.56 0.03 -0.10 -0.04 0.93 0.25 2fziA1 LEU 158 HD23 -1.36 -0.02 -0.35 -0.04 0.89 -0.88 2fziA1 LYS 159 H -0.14 0.22 -0.00 -0.55 8.42 7.94 2fziA1 LYS 159 HA -1.18 0.10 0.40 -0.75 4.32 2.89 2fziA1 LYS 159 HB2 0.03 -0.01 0.17 -0.04 1.87 2.02 2fziA1 LYS 159 HB3 -0.30 -0.02 0.10 -0.04 1.79 1.52 2fziA1 LYS 159 HG2 -0.77 0.07 -0.08 -0.04 1.46 0.64 2fziA1 LYS 159 HG3 -0.23 0.01 0.01 -0.04 1.46 1.21 2fziA1 LYS 159 HD2 -0.05 0.05 -0.02 -0.04 1.69 1.63 2fziA1 LYS 159 HD3 -0.01 -0.06 0.02 -0.04 1.68 1.59 2fziA1 LYS 159 HE2 0.04 -0.02 -0.03 -0.04 2.99 2.94 2fziA1 LYS 159 HE3 -0.05 0.06 -0.06 -0.04 2.99 2.90 2fziA1 PHE 160 H 0.07 0.64 0.01 -0.55 8.34 8.51 2fziA1 PHE 160 HA -0.29 0.07 0.19 -0.75 4.62 3.84 2fziA1 PHE 160 HB2 -1.24 0.05 -0.04 -0.04 3.15 1.88 2fziA1 PHE 160 HB3 -0.99 0.03 -0.03 -0.04 3.06 2.04 2fziA1 PHE 160 HD2 -0.80 0.18 -0.08 -0.04 7.28 6.54 2fziA1 PHE 160 HE2 -1.17 -0.02 -0.14 -0.04 7.38 6.02 2fziA1 PHE 160 HZ -0.66 -0.02 -0.16 -0.04 7.32 6.43 2fziA1 ARG 161 H -0.66 -0.01 -0.49 -0.55 8.46 6.74 2fziA1 ARG 161 HA -0.94 0.25 0.60 -0.75 4.34 3.49 2fziA1 ARG 161 HB2 -0.46 -0.02 -0.10 -0.04 1.90 1.29 2fziA1 ARG 161 HB3 -0.42 0.01 0.04 -0.04 1.80 1.39 2fziA1 ARG 161 HG2 -2.19 0.06 -0.18 -0.04 1.67 -0.68 2fziA1 ARG 161 HG3 -2.39 -0.09 -0.15 -0.04 1.67 -0.99 2fziA1 ARG 161 HD2 -0.92 -0.01 -0.14 -0.04 3.22 2.11 2fziA1 ARG 161 HD3 -0.77 0.00 -0.11 -0.04 3.22 2.31 2fziA1 ASP 162 H 0.05 0.51 -0.25 -0.55 8.40 8.16 2fziA1 ASP 162 HA 0.10 0.13 0.59 -0.75 4.63 4.69 2fziA1 ASP 162 HB2 0.18 0.19 0.13 -0.04 2.71 3.17 2fziA1 ASP 162 HB3 0.11 -0.14 0.10 -0.04 2.70 2.73 2fziA1 LYS 163 H 0.09 0.15 0.16 -0.55 8.42 8.26 2fziA1 LYS 163 HA 0.12 0.15 0.38 -0.75 4.32 4.22 2fziA1 LYS 163 HB2 0.07 0.05 0.14 -0.04 1.87 2.08 2fziA1 LYS 163 HB3 0.05 -0.04 0.13 -0.04 1.79 1.89 2fziA1 LYS 163 HG2 0.02 0.01 -0.25 -0.04 1.46 1.20 2fziA1 LYS 163 HG3 0.05 0.02 0.05 -0.04 1.46 1.54 2fziA1 LYS 163 HD2 0.04 0.01 0.02 -0.04 1.69 1.72 2fziA1 LYS 163 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.64 2fziA1 LYS 163 HE2 0.03 0.02 -0.01 -0.04 2.99 2.98 2fziA1 LYS 163 HE3 0.02 0.00 -0.01 -0.04 2.99 2.96 2fziA1 GLU 164 H 0.05 0.05 -0.21 -0.55 8.60 7.94 2fziA1 GLU 164 HA -0.09 0.09 0.37 -0.75 4.29 3.91 2fziA1 GLU 164 HB2 -0.32 0.05 0.03 -0.04 2.09 1.81 2fziA1 GLU 164 HB3 -0.08 -0.01 0.07 -0.04 1.99 1.92 2fziA1 GLU 164 HG2 0.09 -0.12 -0.03 -0.04 2.34 2.23 2fziA1 GLU 164 HG3 -0.03 0.10 -0.18 -0.04 2.34 2.18 2fziA1 TRP 165 H 0.27 0.34 -0.44 -0.55 7.97 7.59 2fziA1 TRP 165 HA 0.15 0.17 0.89 -0.75 4.62 5.08 2fziA1 TRP 165 HB2 0.17 0.16 -0.04 -0.04 3.23 3.49 2fziA1 TRP 165 HB3 0.45 -0.03 0.13 -0.04 3.23 3.75 2fziA1 TRP 165 HD1 0.03 0.05 -0.21 -0.04 7.22 7.05 2fziA1 TRP 165 HE1 0.03 -0.04 -0.11 -0.04 10.20 10.04 2fziA1 TRP 165 HE3 0.24 -0.05 0.03 -0.04 7.59 7.77 2fziA1 TRP 165 HZ2 0.06 -0.01 -0.06 -0.04 7.44 7.39 2fziA1 TRP 165 HZ3 0.10 0.05 -0.03 -0.04 7.13 7.21 2fziA1 TRP 165 HH2 0.08 0.03 -0.05 -0.04 7.19 7.21 2fziA1 SER 166 H 0.21 0.33 -0.25 -0.55 8.46 8.20 2fziA1 SER 166 HA 0.39 0.31 0.42 -0.75 4.49 4.85 2fziA1 SER 166 HB2 0.19 -0.04 0.07 -0.04 3.95 4.13 2fziA1 SER 166 HB3 0.22 -0.03 0.05 -0.04 3.93 4.13 2fziA1 SER 167 H 0.13 0.07 -0.31 -0.55 8.46 7.81 2fziA1 SER 167 HA 0.09 0.14 0.65 -0.75 4.49 4.61 2fziA1 SER 167 HB2 0.04 -0.00 0.07 -0.04 3.95 4.01 2fziA1 SER 167 HB3 0.04 -0.04 0.03 -0.04 3.93 3.92 2fziA1 VAL 168 H 0.25 0.07 -0.25 -0.55 8.24 7.76 2fziA1 VAL 168 HA -0.00 0.11 0.70 -0.75 4.13 4.19 2fziA1 VAL 168 HB 0.53 0.02 0.15 -0.04 2.12 2.77 2fziA1 VAL 168 HG13 -0.32 0.00 -0.11 -0.04 0.97 0.50 2fziA1 VAL 168 HG23 0.20 -0.02 -0.02 -0.04 0.95 1.06 2fziA1 TRP 169 H 0.53 0.73 0.21 -0.55 7.97 8.89 2fziA1 TRP 169 HA 0.27 0.29 0.89 -0.75 4.62 5.31 2fziA1 TRP 169 HB2 0.37 0.16 0.12 -0.04 3.23 3.84 2fziA1 TRP 169 HB3 0.59 -0.09 -0.12 -0.04 3.23 3.56 2fziA1 TRP 169 HD1 0.10 -0.03 -0.02 -0.04 7.22 7.23 2fziA1 TRP 169 HE1 -0.32 0.00 -0.11 -0.04 10.20 9.73 2fziA1 TRP 169 HE3 0.26 -0.00 -0.42 -0.04 7.59 7.38 2fziA1 TRP 169 HZ2 -0.10 0.07 -0.16 -0.04 7.44 7.21 2fziA1 TRP 169 HZ3 0.01 0.08 -0.47 -0.04 7.13 6.70 2fziA1 TRP 169 HH2 -0.06 -0.05 -0.43 -0.04 7.19 6.60 2fziA1 LYS 170 H 0.44 0.59 0.33 -0.55 8.42 9.23 2fziA1 LYS 170 HA 0.21 0.17 0.91 -0.75 4.32 4.86 2fziA1 LYS 170 HB2 0.06 -0.05 0.02 -0.04 1.87 1.85 2fziA1 LYS 170 HB3 0.01 -0.03 0.01 -0.04 1.79 1.73 2fziA1 LYS 170 HG2 0.12 0.08 -0.39 -0.04 1.46 1.23 2fziA1 LYS 170 HG3 0.05 -0.07 -0.08 -0.04 1.46 1.32 2fziA1 LYS 170 HD2 0.06 -0.13 -0.01 -0.04 1.69 1.58 2fziA1 LYS 170 HD3 0.15 0.27 -0.10 -0.04 1.68 1.96 2fziA1 LYS 170 HE2 0.08 0.20 -0.13 -0.04 2.99 3.10 2fziA1 LYS 170 HE3 0.04 -0.11 -0.03 -0.04 2.99 2.85 2fziA1 LYS 171 H -0.46 0.16 0.16 -0.55 8.42 7.73 2fziA1 LYS 171 HA -1.06 0.15 0.82 -0.75 4.32 3.47 2fziA1 LYS 171 HB2 -2.37 -0.01 0.04 -0.04 1.87 -0.52 2fziA1 LYS 171 HB3 -0.66 -0.03 0.16 -0.04 1.79 1.22 2fziA1 LYS 171 HG2 -0.37 0.21 -0.16 -0.04 1.46 1.10 2fziA1 LYS 171 HG3 -0.75 -0.07 0.03 -0.04 1.46 0.63 2fziA1 LYS 171 HD2 -0.18 -0.02 -0.02 -0.04 1.69 1.42 2fziA1 LYS 171 HD3 -0.19 -0.02 -0.01 -0.04 1.68 1.41 2fziA1 LYS 171 HE2 -0.04 0.02 0.01 -0.04 2.99 2.94 2fziA1 LYS 171 HE3 -0.02 -0.04 0.03 -0.04 2.99 2.91 2fziA1 GLU 172 H -0.26 0.69 0.42 -0.55 8.60 8.92 2fziA1 GLU 172 HA -0.09 0.08 0.58 -0.75 4.29 4.10 2fziA1 GLU 172 HB2 -0.07 0.03 0.08 -0.04 2.09 2.09 2fziA1 GLU 172 HB3 -0.04 -0.11 0.09 -0.04 1.99 1.89 2fziA1 GLU 172 HG2 -0.05 0.06 -0.02 -0.04 2.34 2.29 2fziA1 GLU 172 HG3 -0.05 0.01 -0.09 -0.04 2.34 2.18 2fziA1 LYS 173 H -0.04 0.10 0.18 -0.55 8.42 8.11 2fziA1 LYS 173 HA -0.03 0.17 0.53 -0.75 4.32 4.24 2fziA1 LYS 173 HB2 -0.01 -0.06 0.13 -0.04 1.87 1.88 2fziA1 LYS 173 HB3 -0.01 -0.09 0.14 -0.04 1.79 1.80 2fziA1 LYS 173 HG2 -0.01 0.07 0.07 -0.04 1.46 1.55 2fziA1 LYS 173 HG3 -0.02 0.05 0.10 -0.04 1.46 1.55 2fziA1 LYS 173 HD2 0.00 -0.03 0.05 -0.04 1.69 1.67 2fziA1 LYS 173 HD3 -0.00 0.06 0.04 -0.04 1.68 1.74 2fziA1 LYS 173 HE2 0.00 0.06 0.02 -0.04 2.99 3.04 2fziA1 LYS 173 HE3 -0.00 -0.02 0.05 -0.04 2.99 2.98 2fziA1 HIS 174 H 0.01 0.19 0.21 -0.55 8.41 8.28 2fziA1 HIS 174 HA -0.08 0.14 0.42 -0.75 4.63 4.36 2fziA1 HIS 174 HB2 -0.48 0.04 0.20 -0.04 3.26 2.98 2fziA1 HIS 174 HB3 -0.40 -0.01 0.11 -0.04 3.20 2.86 2fziA1 HIS 174 HD2 -0.16 -0.02 -0.05 -0.04 6.97 6.69 2fziA1 HIS 174 HE1 0.13 0.12 -0.17 -0.04 7.75 7.78 2fziA1 SER 175 H -0.01 0.08 -0.14 -0.55 8.46 7.84 2fziA1 SER 175 HA -0.06 0.11 0.40 -0.75 4.49 4.18 2fziA1 SER 175 HB2 -0.00 0.08 0.02 -0.04 3.95 4.01 2fziA1 SER 175 HB3 0.00 0.02 0.08 -0.04 3.93 3.99 2fziA1 ASP 176 H -0.02 0.13 -0.39 -0.55 8.40 7.57 2fziA1 ASP 176 HA 0.03 0.12 0.48 -0.75 4.63 4.50 2fziA1 ASP 176 HB2 -0.01 0.06 0.08 -0.04 2.71 2.80 2fziA1 ASP 176 HB3 0.03 0.07 0.01 -0.04 2.70 2.77 2fziA1 LEU 177 H -0.05 0.32 -0.21 -0.55 8.37 7.88 2fziA1 LEU 177 HA 0.10 0.06 0.39 -0.75 4.35 4.14 2fziA1 LEU 177 HB2 0.00 -0.01 0.03 -0.04 1.64 1.63 2fziA1 LEU 177 HB3 -0.21 0.11 0.19 -0.04 1.64 1.69 2fziA1 LEU 177 HG 0.15 0.00 -0.09 -0.04 1.64 1.66 2fziA1 LEU 177 HD13 0.18 -0.01 -0.26 -0.04 0.93 0.81 2fziA1 LEU 177 HD23 0.00 0.01 -0.33 -0.04 0.89 0.52 2fziA1 GLU 178 H -0.22 0.54 0.01 -0.55 8.60 8.38 2fziA1 GLU 178 HA -0.09 0.11 0.38 -0.75 4.29 3.94 2fziA1 GLU 178 HB2 -0.13 0.01 0.11 -0.04 2.09 2.05 2fziA1 GLU 178 HB3 -0.08 0.01 -0.09 -0.04 1.99 1.78 2fziA1 GLU 178 HG2 -0.10 0.04 0.27 -0.04 2.34 2.51 2fziA1 GLU 178 HG3 -0.44 0.03 0.11 -0.04 2.34 2.01 2fziA1 SER 179 H -0.01 0.35 -0.42 -0.55 8.46 7.84 2fziA1 SER 179 HA -0.02 0.00 0.36 -0.75 4.49 4.08 2fziA1 SER 179 HB2 0.01 -0.01 0.10 -0.04 3.95 4.01 2fziA1 SER 179 HB3 0.06 0.04 0.16 -0.04 3.93 4.16 2fziA1 TRP 180 H 0.22 0.49 -0.21 -0.55 7.97 7.92 2fziA1 TRP 180 HA 0.02 0.04 0.51 -0.75 4.62 4.44 2fziA1 TRP 180 HB2 0.01 -0.03 0.09 -0.04 3.23 3.26 2fziA1 TRP 180 HB3 0.01 0.04 0.13 -0.04 3.23 3.37 2fziA1 TRP 180 HD1 0.03 -0.03 -0.00 -0.04 7.22 7.17 2fziA1 TRP 180 HE1 0.02 -0.02 -0.03 -0.04 10.20 10.13 2fziA1 TRP 180 HE3 0.06 0.03 -0.27 -0.04 7.59 7.36 2fziA1 TRP 180 HZ2 -0.08 -0.02 -0.08 -0.04 7.44 7.23 2fziA1 TRP 180 HZ3 0.23 -0.03 -0.12 -0.04 7.13 7.17 2fziA1 TRP 180 HH2 0.04 -0.01 -0.12 -0.04 7.19 7.07 2fziA1 VAL 181 H 0.14 0.63 -0.02 -0.55 8.24 8.44 2fziA1 VAL 181 HA -0.18 0.09 0.44 -0.75 4.13 3.74 2fziA1 VAL 181 HB -0.06 0.02 0.04 -0.04 2.12 2.07 2fziA1 VAL 181 HG13 -0.21 -0.03 -0.11 -0.04 0.97 0.58 2fziA1 VAL 181 HG23 0.27 0.01 -0.07 -0.04 0.95 1.12 2fziA1 GLY 182 H -0.20 0.38 -0.44 -0.55 8.43 7.62 2fziA1 GLY 182 HA2 -0.23 -0.01 0.24 -0.51 4.01 3.51 2fziA1 GLY 182 HA3 -0.91 0.06 0.39 -0.51 4.01 3.04 2fziA1 THR 183 H -0.33 0.18 -0.35 -0.55 8.28 7.23 2fziA1 THR 183 HA -0.18 0.12 0.69 -0.75 4.39 4.26 2fziA1 THR 183 HB -0.13 -0.06 0.01 -0.04 4.32 4.09 2fziA1 THR 183 HG23 -0.38 0.01 -0.23 -0.04 1.22 0.58 2fziA1 LYS 184 H -0.05 0.14 0.08 -0.55 8.42 8.03 2fziA1 LYS 184 HA -0.02 0.03 0.52 -0.75 4.32 4.10 2fziA1 LYS 184 HB2 0.00 0.00 0.08 -0.04 1.87 1.91 2fziA1 LYS 184 HB3 0.02 0.00 0.09 -0.04 1.79 1.86 2fziA1 LYS 184 HG2 0.05 -0.02 -0.11 -0.04 1.46 1.34 2fziA1 LYS 184 HG3 0.07 0.06 -0.11 -0.04 1.46 1.44 2fziA1 LYS 184 HD2 0.03 0.00 -0.02 -0.04 1.69 1.65 2fziA1 LYS 184 HD3 0.05 -0.02 -0.03 -0.04 1.68 1.64 2fziA1 LYS 184 HE2 0.03 -0.01 -0.01 -0.04 2.99 2.95 2fziA1 LYS 184 HE3 -0.00 0.01 -0.07 -0.04 2.99 2.89 2fziA1 VAL 185 H 0.04 0.14 0.17 -0.55 8.24 8.03 2fziA1 VAL 185 HA 0.10 0.24 0.88 -0.75 4.13 4.60 2fziA1 VAL 185 HB 0.04 -0.07 -0.00 -0.04 2.12 2.04 2fziA1 VAL 185 HG13 0.09 0.03 -0.06 -0.04 0.97 0.99 2fziA1 VAL 185 HG23 0.04 0.06 -0.24 -0.04 0.95 0.77 2fziA1 PRO 186 HA 0.16 -0.00 0.42 -0.51 4.44 4.50 2fziA1 PRO 186 HB2 0.33 -0.02 0.05 -0.04 2.28 2.60 2fziA1 PRO 186 HB3 0.13 0.04 0.01 -0.04 2.02 2.16 2fziA1 PRO 186 HG2 0.27 0.00 0.03 -0.04 2.03 2.30 2fziA1 PRO 186 HG3 0.15 0.05 0.03 -0.04 2.03 2.22 2fziA1 PRO 186 HD2 0.17 0.07 0.16 -0.04 3.68 4.04 2fziA1 PRO 186 HD3 0.13 0.23 0.19 -0.04 3.65 4.17 2fziA1 HIS 187 H 0.11 0.12 0.22 -0.55 8.41 8.33 2fziA1 HIS 187 HA -0.49 0.14 0.89 -0.75 4.63 4.42 2fziA1 HIS 187 HB2 -0.46 0.06 0.10 -0.04 3.26 2.92 2fziA1 HIS 187 HB3 -0.15 -0.02 0.16 -0.04 3.20 3.15 2fziA1 HIS 187 HD2 -0.34 -0.07 0.17 -0.04 6.97 6.68 2fziA1 HIS 187 HE1 -0.04 -0.01 0.03 -0.04 7.75 7.69 2fziA1 GLY 188 H 0.04 0.12 0.18 -0.55 8.43 8.22 2fziA1 GLY 188 HA2 -0.18 -0.02 0.34 -0.51 4.01 3.64 2fziA1 GLY 188 HA3 -0.21 0.21 0.80 -0.51 4.01 4.30 2fziA1 LYS 189 H -0.12 0.08 0.13 -0.55 8.42 7.95 2fziA1 LYS 189 HA -0.14 0.20 0.48 -0.75 4.32 4.10 2fziA1 LYS 189 HB2 -0.11 -0.01 0.09 -0.04 1.87 1.81 2fziA1 LYS 189 HB3 -0.08 -0.02 -0.03 -0.04 1.79 1.62 2fziA1 LYS 189 HG2 0.05 0.01 -0.13 -0.04 1.46 1.36 2fziA1 LYS 189 HG3 -0.09 -0.05 0.01 -0.04 1.46 1.29 2fziA1 LYS 189 HD2 -0.13 -0.01 -0.04 -0.04 1.69 1.47 2fziA1 LYS 189 HD3 -0.30 0.01 -0.04 -0.04 1.68 1.31 2fziA1 LYS 189 HE2 -0.11 0.00 0.01 -0.04 2.99 2.85 2fziA1 LYS 189 HE3 -0.13 0.01 -0.01 -0.04 2.99 2.82 2fziA1 ILE 190 H -0.49 0.89 0.50 -0.55 8.25 8.60 2fziA1 ILE 190 HA -0.26 0.13 0.84 -0.75 4.18 4.14 2fziA1 ILE 190 HB -1.47 0.00 0.10 -0.04 1.89 0.49 2fziA1 ILE 190 HG12 -0.17 -0.00 -0.11 -0.04 1.49 1.17 2fziA1 ILE 190 HG13 -0.32 0.13 -0.26 -0.04 1.21 0.72 2fziA1 ILE 190 HG23 -0.27 -0.03 -0.18 -0.04 0.93 0.41 2fziA1 ILE 190 HD13 -0.20 -0.02 -0.08 -0.04 0.88 0.53 2fziA1 ASN 191 H -0.17 0.20 0.14 -0.55 8.53 8.16 2fziA1 ASN 191 HA -0.10 0.44 1.00 -0.75 4.76 5.35 2fziA1 ASN 191 HB2 -0.08 0.02 -0.07 -0.04 2.88 2.71 2fziA1 ASN 191 HB3 -0.07 0.00 0.14 -0.04 2.79 2.82 2fziA1 ASN 191 HD21 -0.04 -0.05 -0.09 -0.04 7.03 6.81 2fziA1 ASN 191 HD22 -0.04 0.03 -0.05 -0.04 7.74 7.64 2fziA1 GLU 192 H 0.05 0.59 0.17 -0.55 8.60 8.87 2fziA1 GLU 192 HA 0.02 0.10 0.75 -0.75 4.29 4.40 2fziA1 GLU 192 HB2 0.30 0.02 -0.13 -0.04 2.09 2.24 2fziA1 GLU 192 HB3 0.17 0.01 -0.01 -0.04 1.99 2.13 2fziA1 GLU 192 HG2 0.07 0.02 0.10 -0.04 2.34 2.49 2fziA1 GLU 192 HG3 0.07 0.18 -0.01 -0.04 2.34 2.53 2fziA1 ASP 193 H -0.04 0.18 0.13 -0.55 8.40 8.12 2fziA1 ASP 193 HA -0.13 0.06 0.35 -0.75 4.63 4.15 2fziA1 ASP 193 HB2 -0.08 0.21 0.09 -0.04 2.71 2.89 2fziA1 ASP 193 HB3 -0.24 0.02 0.24 -0.04 2.70 2.67 2fziA1 GLY 194 H -0.13 0.04 -0.13 -0.55 8.43 7.67 2fziA1 GLY 194 HA2 -0.10 0.01 0.22 -0.51 4.01 3.62 2fziA1 GLY 194 HA3 -0.26 0.09 0.35 -0.51 4.01 3.69 2fziA1 PHE 195 H -0.03 0.10 -0.53 -0.55 8.34 7.33 2fziA1 PHE 195 HA 0.01 0.19 0.88 -0.75 4.62 4.95 2fziA1 PHE 195 HB2 0.04 0.09 -0.02 -0.04 3.15 3.22 2fziA1 PHE 195 HB3 -0.02 -0.02 -0.11 -0.04 3.06 2.87 2fziA1 PHE 195 HD2 0.03 0.04 -0.03 -0.04 7.28 7.28 2fziA1 PHE 195 HE2 0.08 -0.03 -0.00 -0.04 7.38 7.38 2fziA1 PHE 195 HZ 0.07 -0.04 -0.01 -0.04 7.32 7.30 2fziA1 ASP 196 H 0.16 0.24 0.14 -0.55 8.40 8.40 2fziA1 ASP 196 HA -0.03 0.31 0.88 -0.75 4.63 5.04 2fziA1 ASP 196 HB2 0.09 0.03 0.15 -0.04 2.71 2.95 2fziA1 ASP 196 HB3 0.14 -0.02 -0.03 -0.04 2.70 2.75 2fziA1 TYR 197 H -0.31 0.51 0.41 -0.55 8.29 8.35 2fziA1 TYR 197 HA -0.31 0.16 0.78 -0.75 4.56 4.44 2fziA1 TYR 197 HB2 -0.41 0.15 -0.01 -0.04 3.06 2.75 2fziA1 TYR 197 HB3 -0.31 -0.06 -0.22 -0.04 2.98 2.36 2fziA1 TYR 197 HD2 -0.38 0.05 -0.35 -0.04 7.15 6.43 2fziA1 TYR 197 HE2 -0.30 -0.01 -0.16 -0.04 6.85 6.34 2fziA1 GLU 198 H -0.19 0.51 0.33 -0.55 8.60 8.71 2fziA1 GLU 198 HA -0.42 0.20 0.74 -0.75 4.29 4.05 2fziA1 GLU 198 HB2 -0.05 0.07 0.05 -0.04 2.09 2.11 2fziA1 GLU 198 HB3 -0.04 -0.08 -0.40 -0.04 1.99 1.44 2fziA1 GLU 198 HG2 0.10 -0.06 -0.07 -0.04 2.34 2.27 2fziA1 GLU 198 HG3 0.05 0.07 -0.35 -0.04 2.34 2.07 2fziA1 PHE 199 H -0.16 0.25 0.20 -0.55 8.34 8.08 2fziA1 PHE 199 HA -0.05 0.17 0.94 -0.75 4.62 4.93 2fziA1 PHE 199 HB2 -0.01 0.05 0.12 -0.04 3.15 3.28 2fziA1 PHE 199 HB3 -0.18 0.06 0.01 -0.04 3.06 2.91 2fziA1 PHE 199 HD2 -0.27 0.16 -0.00 -0.04 7.28 7.12 2fziA1 PHE 199 HE2 -0.11 -0.02 -0.05 -0.04 7.38 7.16 2fziA1 PHE 199 HZ 0.07 -0.04 -0.14 -0.04 7.32 7.17 2fziA1 GLU 200 H 0.25 0.83 0.48 -0.55 8.60 9.62 2fziA1 GLU 200 HA 0.17 0.14 0.87 -0.75 4.29 4.72 2fziA1 GLU 200 HB2 0.42 -0.02 -0.01 -0.04 2.09 2.44 2fziA1 GLU 200 HB3 0.18 -0.01 0.05 -0.04 1.99 2.17 2fziA1 GLU 200 HG2 0.15 0.07 -0.18 -0.04 2.34 2.34 2fziA1 GLU 200 HG3 0.15 -0.03 -0.40 -0.04 2.34 2.02 2fziA1 MET 201 H 0.01 0.25 0.19 -0.55 8.47 8.37 2fziA1 MET 201 HA 0.18 0.31 1.12 -0.75 4.52 5.37 2fziA1 MET 201 HB2 0.09 0.02 -0.05 -0.04 2.15 2.16 2fziA1 MET 201 HB3 0.01 -0.08 0.10 -0.04 2.03 2.02 2fziA1 MET 201 HG2 -0.07 -0.02 -0.31 -0.04 2.63 2.19 2fziA1 MET 201 HG3 -0.09 0.07 -0.06 -0.04 2.56 2.44 2fziA1 MET 201 HE3 -0.01 0.03 -0.25 -0.04 2.10 1.82 2fziA1 TRP 202 H 0.33 0.73 0.38 -0.55 7.97 8.87 2fziA1 TRP 202 HA 0.16 0.28 1.12 -0.75 4.62 5.43 2fziA1 TRP 202 HB2 -0.02 -0.06 0.06 -0.04 3.23 3.17 2fziA1 TRP 202 HB3 0.38 0.08 -0.11 -0.04 3.23 3.54 2fziA1 TRP 202 HD1 0.14 -0.00 -0.26 -0.04 7.22 7.05 2fziA1 TRP 202 HE1 0.05 -0.04 -0.15 -0.04 10.20 10.03 2fziA1 TRP 202 HE3 0.40 0.02 -0.55 -0.04 7.59 7.43 2fziA1 TRP 202 HZ2 0.00 -0.04 -0.07 -0.04 7.44 7.29 2fziA1 TRP 202 HZ3 0.21 0.24 -0.15 -0.04 7.13 7.39 2fziA1 TRP 202 HH2 0.06 0.05 -0.02 -0.04 7.19 7.24 2fziA1 THR 203 H 0.35 0.62 0.41 -0.55 8.28 9.11 2fziA1 THR 203 HA 0.39 0.27 1.09 -0.75 4.39 5.38 2fziA1 THR 203 HB 0.00 0.12 0.15 -0.04 4.32 4.55 2fziA1 THR 203 HG23 -0.04 -0.04 -0.18 -0.04 1.22 0.93 2fziA1 ARG 204 H -0.18 0.59 0.32 -0.55 8.46 8.63 2fziA1 ARG 204 HA -0.30 0.26 0.87 -0.75 4.34 4.42 2fziA1 ARG 204 HB2 -0.73 0.05 0.06 -0.04 1.90 1.24 2fziA1 ARG 204 HB3 -2.05 -0.07 -0.20 -0.04 1.80 -0.56 2fziA1 ARG 204 HG2 -1.24 -0.13 -0.12 -0.04 1.67 0.14 2fziA1 ARG 204 HG3 -0.43 -0.00 -0.16 -0.04 1.67 1.04 2fziA1 ARG 204 HD2 -0.99 -0.11 -0.12 -0.04 3.22 1.96 2fziA1 ARG 204 HD3 -0.25 0.14 -0.06 -0.04 3.22 3.01 2fziA1 ASP 205 H -0.16 0.19 0.19 -0.55 8.40 8.07 2fziA1 ASP 205 HA -0.07 0.01 0.60 -0.75 4.63 4.42 2fziA1 ASP 205 HB2 -0.06 -0.00 0.18 -0.04 2.71 2.78 2fziA1 ASP 205 HB3 -0.04 0.08 0.04 -0.04 2.70 2.73 2fziA1 LEU 206 H -0.04 0.06 0.13 -0.55 8.37 7.96 2fziA1 LEU 206 HA -0.05 0.22 0.32 -0.75 4.35 4.09 2fziA1 LEU 206 HB2 -0.01 -0.06 0.14 -0.04 1.64 1.66 2fziA1 LEU 206 HB3 -0.00 -0.03 0.10 -0.04 1.64 1.66 2fziA1 LEU 206 HG 0.01 0.42 0.16 -0.04 1.64 2.19 2fziA1 LEU 206 HD13 -0.01 -0.03 -0.34 -0.04 0.93 0.50 2fziA1 LEU 206 HD23 0.03 -0.05 0.04 -0.04 0.89 0.87