============================================================================= 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 69.212 -66.155 1.209 -99.200 -91.000 TYR 6 0.840 58.738 -67.161 4.813 -99.200 -91.000 TYR 32 0.840 58.488 -47.236 20.482 -99.200 -91.000 HIS 33 0.900 66.778 -52.781 17.736 -99.200 -91.000 HIS 38 0.900 64.597 -65.091 11.609 -99.200 -91.000 PHE 42 1.000 62.403 -62.279 6.410 -99.200 -91.000 TYR 44 0.840 68.361 -61.178 7.491 -99.200 -91.000 HIS 48 0.900 67.695 -59.149 0.274 -99.200 -91.000 TYR 55 0.840 46.295 -52.992 13.672 -99.200 -91.000 TYR 56 0.840 47.919 -62.657 8.081 -99.200 -91.000 TYR 66 0.840 58.275 -50.684 8.629 -99.200 -91.000 HIS 84 0.900 56.072 -42.267 9.510 -99.200 -91.000 TYR 86 0.840 47.128 -38.695 10.759 -99.200 -91.000 TYR 90 0.840 49.907 -42.655 17.716 -99.200 -91.000 TYR 92 0.840 46.778 -50.558 8.509 -99.200 -91.000 PHE 96 1.000 50.842 -54.791 14.324 -99.200 -91.000 TYR 107 0.840 50.970 -63.541 11.636 -99.200 -91.000 HIS 112 0.900 59.279 -57.791 0.095 -99.200 -91.000 TYR 114 0.840 66.458 -57.215 -6.656 -99.200 -91.000 PHE 115 1.000 70.763 -49.283 -0.123 -99.200 -91.000 PHE 128 1.000 81.435 -51.341 1.147 -99.200 -91.000 PHE 130 1.000 78.098 -48.260 3.784 -99.200 -91.000 TYR 140 0.840 73.821 -46.761 4.316 -99.200 -91.000 PHE 143 1.000 74.832 -52.670 3.390 -99.200 -91.000 PHE 148 1.000 84.261 -52.543 10.402 -99.200 -91.000 TYR 150 0.840 77.525 -55.151 17.286 -99.200 -91.000 TYR 156 0.840 84.302 -59.892 25.640 -99.200 -91.000 TYR 160 0.840 85.688 -53.549 5.171 -99.200 -91.000 TYR 163 0.840 88.487 -44.305 5.861 -99.200 -91.000 TYR 167 0.840 80.076 -37.818 3.467 -99.200 -91.000 TYR 168 0.840 72.210 -41.252 10.702 -99.200 -91.000 TYR 171 0.840 65.139 -31.217 15.159 -99.200 -91.000 TYR 178 0.840 69.768 -49.459 14.833 -99.200 -91.000 TYR 184 0.840 81.991 -52.393 19.295 -99.200 -91.000 PHE 185 1.000 80.223 -51.465 13.999 -99.200 -91.000 TYR 189 0.840 86.522 -53.009 14.240 -99.200 -91.000 HIS 196 0.900 82.861 -36.676 7.614 -99.200 -91.000 TYR 197 0.840 76.950 -39.050 13.861 -99.200 -91.000 PHE 199 1.000 74.229 -33.741 14.891 -99.200 -91.000 TYR 201 0.840 67.431 -27.017 17.240 -99.200 -91.000 PHE 210 1.000 75.598 -27.496 5.418 -99.200 -91.000 TYR 211 0.840 67.479 -30.335 4.817 -99.200 -91.000 TYR 217 0.840 78.632 -28.097 -4.651 -99.200 -91.000 PHE 223 1.000 80.555 -38.085 -2.700 -99.200 -91.000 PHE 227 1.000 81.856 -43.407 -7.573 -99.200 -91.000 TYR 230 0.840 91.518 -43.655 -1.200 -99.200 -91.000 TYR 235 0.840 75.972 -49.716 -0.968 -99.200 -91.000 HIS 239 0.900 64.143 -36.833 4.097 -99.200 -91.000 TYR 244 0.840 67.676 -35.365 -10.086 -99.200 -91.000 HIS 258 0.900 75.059 -50.601 -5.143 -99.200 -91.000 TYR 262 0.840 62.730 -45.073 3.600 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ok7A1 ASN 5 HA -0.48 -0.05 0.17 -0.75 4.76 3.64 2ok7A1 ASN 5 HB2 -0.10 -0.13 0.06 -0.04 2.88 2.68 2ok7A1 ASN 5 HB3 -0.10 0.02 0.05 -0.04 2.79 2.72 2ok7A1 ASN 5 HD21 -0.00 0.08 -0.05 -0.04 7.03 7.02 2ok7A1 ASN 5 HD22 -0.01 -0.14 -0.05 -0.04 7.74 7.50 2ok7A1 PHE 6 H -0.19 0.06 0.06 -0.55 8.34 7.72 2ok7A1 PHE 6 HA -0.11 0.24 0.47 -0.75 4.62 4.47 2ok7A1 PHE 6 HB2 -0.02 -0.08 -0.06 -0.04 3.15 2.95 2ok7A1 PHE 6 HB3 -0.13 0.21 -0.09 -0.04 3.06 3.01 2ok7A1 PHE 6 HD2 0.01 -0.00 -0.33 -0.04 7.28 6.91 2ok7A1 PHE 6 HE2 -0.03 0.03 -0.11 -0.04 7.38 7.23 2ok7A1 PHE 6 HZ -0.03 0.01 -0.05 -0.04 7.32 7.21 2ok7A1 ILE 7 H -0.06 0.07 -0.21 -0.55 8.25 7.50 2ok7A1 ILE 7 HA -0.27 0.17 0.52 -0.75 4.18 3.85 2ok7A1 ILE 7 HB -0.06 -0.00 0.07 -0.04 1.89 1.86 2ok7A1 ILE 7 HG12 -0.40 0.03 -0.07 -0.04 1.49 1.01 2ok7A1 ILE 7 HG13 -0.36 -0.08 -0.12 -0.04 1.21 0.60 2ok7A1 ILE 7 HG23 -0.09 0.01 -0.07 -0.04 0.93 0.74 2ok7A1 ILE 7 HD13 0.01 -0.01 -0.01 -0.04 0.88 0.83 2ok7A1 ASN 8 H -0.29 0.49 0.36 -0.55 8.53 8.53 2ok7A1 ASN 8 HA -0.19 0.06 0.34 -0.75 4.76 4.22 2ok7A1 ASN 8 HB2 -0.06 0.11 -0.22 -0.04 2.88 2.67 2ok7A1 ASN 8 HB3 -0.04 -0.02 0.15 -0.04 2.79 2.83 2ok7A1 ASN 8 HD21 0.06 -0.05 -0.01 -0.04 7.03 6.99 2ok7A1 ASN 8 HD22 0.01 0.02 -0.06 -0.04 7.74 7.68 2ok7A1 LEU 9 H -0.20 0.12 -0.08 -0.55 8.37 7.66 2ok7A1 LEU 9 HA -0.23 0.14 0.56 -0.75 4.35 4.07 2ok7A1 LEU 9 HB2 -0.35 -0.13 0.17 -0.04 1.64 1.30 2ok7A1 LEU 9 HB3 -0.61 0.02 0.07 -0.04 1.64 1.08 2ok7A1 LEU 9 HG -0.11 0.06 -0.12 -0.04 1.64 1.43 2ok7A1 LEU 9 HD13 -0.12 0.01 0.12 -0.04 0.93 0.90 2ok7A1 LEU 9 HD23 -0.10 0.02 0.04 -0.04 0.89 0.80 2ok7A1 TYR 10 H -0.05 -0.04 0.00 -0.55 8.29 7.65 2ok7A1 TYR 10 HA -0.00 0.30 0.83 -0.75 4.56 4.94 2ok7A1 TYR 10 HB2 0.07 -0.49 0.20 -0.04 3.06 2.80 2ok7A1 TYR 10 HB3 0.05 0.22 0.26 -0.04 2.98 3.48 2ok7A1 TYR 10 HD2 -0.04 0.03 0.03 -0.04 7.15 7.13 2ok7A1 TYR 10 HE2 -0.02 0.04 0.05 -0.04 6.85 6.87 2ok7A1 THR 11 H 0.12 0.32 0.02 -0.55 8.28 8.19 2ok7A1 THR 11 HA 0.09 0.21 0.70 -0.75 4.39 4.64 2ok7A1 THR 11 HB 0.04 -0.13 0.14 -0.04 4.32 4.32 2ok7A1 THR 11 HG23 0.03 0.05 -0.20 -0.04 1.22 1.05 2ok7A1 VAL 12 H 0.03 0.16 0.08 -0.55 8.24 7.96 2ok7A1 VAL 12 HA -0.08 0.13 0.40 -0.75 4.13 3.83 2ok7A1 VAL 12 HB -0.01 0.08 0.01 -0.04 2.12 2.17 2ok7A1 VAL 12 HG13 -0.01 0.01 -0.03 -0.04 0.97 0.90 2ok7A1 VAL 12 HG23 0.02 -0.00 0.05 -0.04 0.95 0.97 2ok7A1 LYS 13 H 0.02 -0.02 -0.20 -0.55 8.42 7.66 2ok7A1 LYS 13 HA 0.05 0.11 0.47 -0.75 4.32 4.19 2ok7A1 LYS 13 HB2 0.04 0.06 -0.08 -0.04 1.87 1.85 2ok7A1 LYS 13 HB3 0.03 0.03 0.05 -0.04 1.79 1.87 2ok7A1 LYS 13 HG2 0.03 -0.04 0.03 -0.04 1.46 1.43 2ok7A1 LYS 13 HG3 0.03 -0.07 0.03 -0.04 1.46 1.40 2ok7A1 LYS 13 HD2 0.02 0.00 0.00 -0.04 1.69 1.67 2ok7A1 LYS 13 HD3 0.02 0.05 -0.01 -0.04 1.68 1.70 2ok7A1 LYS 13 HE2 0.02 0.01 -0.00 -0.04 2.99 2.98 2ok7A1 LYS 13 HE3 0.02 0.02 0.00 -0.04 2.99 3.00 2ok7A1 ASN 14 H 0.05 -0.08 -0.37 -0.55 8.53 7.58 2ok7A1 ASN 14 HA 0.09 0.25 0.76 -0.75 4.76 5.10 2ok7A1 ASN 14 HB2 0.08 -0.09 0.13 -0.04 2.88 2.96 2ok7A1 ASN 14 HB3 0.13 0.06 0.12 -0.04 2.79 3.05 2ok7A1 ASN 14 HD21 0.04 0.00 -0.10 -0.04 7.03 6.93 2ok7A1 ASN 14 HD22 0.04 -0.05 -0.09 -0.04 7.74 7.59 2ok7A1 PRO 15 HA 0.08 0.10 0.60 -0.51 4.44 4.71 2ok7A1 PRO 15 HB2 0.02 -0.06 -0.22 -0.04 2.28 1.97 2ok7A1 PRO 15 HB3 -0.12 -0.01 -0.19 -0.04 2.02 1.65 2ok7A1 PRO 15 HG2 -1.00 -0.02 -0.07 -0.04 2.03 0.89 2ok7A1 PRO 15 HG3 -0.36 0.07 -0.06 -0.04 2.03 1.64 2ok7A1 PRO 15 HD2 0.05 0.05 0.03 -0.04 3.68 3.77 2ok7A1 PRO 15 HD3 -0.01 0.20 -0.52 -0.04 3.65 3.28 2ok7A1 LEU 16 H -0.13 0.59 0.30 -0.55 8.37 8.58 2ok7A1 LEU 16 HA -0.12 0.14 0.77 -0.75 4.35 4.39 2ok7A1 LEU 16 HB2 -1.44 0.04 0.06 -0.04 1.64 0.25 2ok7A1 LEU 16 HB3 -0.40 -0.11 0.15 -0.04 1.64 1.24 2ok7A1 LEU 16 HG -0.16 0.09 -0.32 -0.04 1.64 1.22 2ok7A1 LEU 16 HD13 -0.11 0.02 -0.01 -0.04 0.93 0.78 2ok7A1 LEU 16 HD23 -0.09 0.00 -0.14 -0.04 0.89 0.62 2ok7A1 LYS 17 H -0.02 0.19 0.15 -0.55 8.42 8.18 2ok7A1 LYS 17 HA -0.67 0.06 0.57 -0.75 4.32 3.52 2ok7A1 LYS 17 HB2 0.06 0.03 0.09 -0.04 1.87 2.00 2ok7A1 LYS 17 HB3 -0.06 -0.02 0.15 -0.04 1.79 1.82 2ok7A1 LYS 17 HG2 -0.28 0.08 -0.13 -0.04 1.46 1.08 2ok7A1 LYS 17 HG3 -0.49 -0.01 -0.02 -0.04 1.46 0.90 2ok7A1 LYS 17 HD2 0.06 -0.00 -0.01 -0.04 1.69 1.70 2ok7A1 LYS 17 HD3 -0.03 -0.02 -0.05 -0.04 1.68 1.53 2ok7A1 LYS 17 HE2 -0.04 0.01 -0.04 -0.04 2.99 2.88 2ok7A1 LYS 17 HE3 0.11 0.01 -0.02 -0.04 2.99 3.05 2ok7A1 CYS 18 H -0.37 0.57 0.44 -0.55 8.50 8.59 2ok7A1 CYS 18 HA -0.11 0.16 0.91 -0.75 4.58 4.79 2ok7A1 CYS 18 HB2 -0.16 0.03 -0.03 -0.04 2.97 2.77 2ok7A1 CYS 18 HB3 -0.09 0.01 -0.04 -0.04 2.97 2.80 2ok7A1 LYS 19 H -0.09 0.59 0.33 -0.55 8.42 8.70 2ok7A1 LYS 19 HA -0.10 0.40 1.04 -0.75 4.32 4.90 2ok7A1 LYS 19 HB2 -0.07 -0.10 0.05 -0.04 1.87 1.71 2ok7A1 LYS 19 HB3 -0.07 0.04 -0.04 -0.04 1.79 1.67 2ok7A1 LYS 19 HG2 -0.09 0.14 -0.31 -0.04 1.46 1.16 2ok7A1 LYS 19 HG3 -0.07 -0.04 -0.26 -0.04 1.46 1.05 2ok7A1 LYS 19 HD2 -0.05 -0.02 -0.10 -0.04 1.69 1.49 2ok7A1 LYS 19 HD3 -0.05 -0.06 -0.07 -0.04 1.68 1.47 2ok7A1 LYS 19 HE2 -0.04 -0.04 -0.02 -0.04 2.99 2.85 2ok7A1 LYS 19 HE3 -0.05 -0.00 -0.13 -0.04 2.99 2.76 2ok7A1 ILE 20 H -0.09 0.54 0.20 -0.55 8.25 8.35 2ok7A1 ILE 20 HA -0.10 0.09 0.71 -0.75 4.18 4.13 2ok7A1 ILE 20 HB -0.11 -0.08 0.24 -0.04 1.89 1.89 2ok7A1 ILE 20 HG12 -0.12 0.06 -0.13 -0.04 1.49 1.25 2ok7A1 ILE 20 HG13 -0.17 0.06 -0.09 -0.04 1.21 0.97 2ok7A1 ILE 20 HG23 -0.12 0.01 -0.27 -0.04 0.93 0.51 2ok7A1 ILE 20 HD13 -0.15 -0.01 -0.15 -0.04 0.88 0.52 2ok7A1 VAL 21 H -0.07 0.68 0.47 -0.55 8.24 8.77 2ok7A1 VAL 21 HA -0.04 0.12 0.80 -0.75 4.13 4.26 2ok7A1 VAL 21 HB -0.03 0.01 0.08 -0.04 2.12 2.14 2ok7A1 VAL 21 HG13 -0.01 -0.01 -0.12 -0.04 0.97 0.79 2ok7A1 VAL 21 HG23 -0.04 -0.01 -0.05 -0.04 0.95 0.82 2ok7A1 ASP 22 H -0.04 0.22 0.33 -0.55 8.40 8.36 2ok7A1 ASP 22 HA -0.03 0.23 0.70 -0.75 4.63 4.78 2ok7A1 ASP 22 HB2 0.02 -0.01 -0.08 -0.04 2.71 2.60 2ok7A1 ASP 22 HB3 0.06 -0.06 -0.03 -0.04 2.70 2.64 2ok7A1 LYS 23 H -0.02 0.23 0.02 -0.55 8.42 8.10 2ok7A1 LYS 23 HA -0.03 0.27 0.71 -0.75 4.32 4.51 2ok7A1 LYS 23 HB2 -0.14 0.02 -0.21 -0.04 1.87 1.49 2ok7A1 LYS 23 HB3 -0.13 -0.01 0.09 -0.04 1.79 1.70 2ok7A1 LYS 23 HG2 -0.26 -0.07 -0.21 -0.04 1.46 0.88 2ok7A1 LYS 23 HG3 -0.26 -0.01 -0.09 -0.04 1.46 1.06 2ok7A1 LYS 23 HD2 -0.28 0.02 -0.17 -0.04 1.69 1.22 2ok7A1 LYS 23 HD3 -0.35 -0.05 -0.05 -0.04 1.68 1.19 2ok7A1 LYS 23 HE2 -1.21 -0.16 -0.07 -0.04 2.99 1.50 2ok7A1 LYS 23 HE3 -0.49 0.01 -0.04 -0.04 2.99 2.43 2ok7A1 ILE 24 H 0.12 0.66 0.23 -0.55 8.25 8.71 2ok7A1 ILE 24 HA 0.06 0.17 0.83 -0.75 4.18 4.48 2ok7A1 ILE 24 HB 0.10 -0.05 0.09 -0.04 1.89 1.99 2ok7A1 ILE 24 HG12 0.01 0.07 -0.04 -0.04 1.49 1.49 2ok7A1 ILE 24 HG13 0.05 -0.10 -0.28 -0.04 1.21 0.84 2ok7A1 ILE 24 HG23 -0.04 0.00 -0.22 -0.04 0.93 0.62 2ok7A1 ILE 24 HD13 0.06 -0.00 -0.08 -0.04 0.88 0.81 2ok7A1 ASN 25 H 0.09 0.21 0.18 -0.55 8.53 8.46 2ok7A1 ASN 25 HA -0.11 0.14 0.83 -0.75 4.76 4.86 2ok7A1 ASN 25 HB2 0.06 0.03 0.14 -0.04 2.88 3.08 2ok7A1 ASN 25 HB3 0.00 0.00 0.23 -0.04 2.79 2.99 2ok7A1 ASN 25 HD21 -0.08 0.04 -0.02 -0.04 7.03 6.93 2ok7A1 ASN 25 HD22 -0.04 -0.04 0.05 -0.04 7.74 7.67 2ok7A1 LEU 26 H -0.14 0.49 0.34 -0.55 8.37 8.52 2ok7A1 LEU 26 HA -0.14 0.06 0.37 -0.75 4.35 3.89 2ok7A1 LEU 26 HB2 -0.15 0.05 -0.03 -0.04 1.64 1.47 2ok7A1 LEU 26 HB3 -0.18 -0.05 -0.10 -0.04 1.64 1.27 2ok7A1 LEU 26 HG -0.20 0.07 -0.04 -0.04 1.64 1.43 2ok7A1 LEU 26 HD13 -0.55 -0.02 -0.10 -0.04 0.93 0.22 2ok7A1 LEU 26 HD23 -0.53 -0.07 0.06 -0.04 0.89 0.30 2ok7A1 VAL 27 H -0.14 0.06 -0.07 -0.55 8.24 7.54 2ok7A1 VAL 27 HA -0.07 0.21 0.83 -0.75 4.13 4.35 2ok7A1 VAL 27 HB -0.07 0.14 0.09 -0.04 2.12 2.24 2ok7A1 VAL 27 HG13 -0.06 -0.06 -0.09 -0.04 0.97 0.72 2ok7A1 VAL 27 HG23 -0.13 0.04 -0.05 -0.04 0.95 0.77 2ok7A1 ARG 28 H -0.05 0.49 0.31 -0.55 8.46 8.66 2ok7A1 ARG 28 HA -0.05 0.21 0.73 -0.75 4.34 4.48 2ok7A1 ARG 28 HB2 -0.05 -0.05 0.20 -0.04 1.90 1.96 2ok7A1 ARG 28 HB3 -0.04 -0.05 0.10 -0.04 1.80 1.77 2ok7A1 ARG 28 HG2 -0.03 -0.02 0.02 -0.04 1.67 1.60 2ok7A1 ARG 28 HG3 -0.03 0.08 0.02 -0.04 1.67 1.70 2ok7A1 ARG 28 HD2 -0.03 -0.02 -0.04 -0.04 3.22 3.10 2ok7A1 ARG 28 HD3 -0.04 0.08 -0.14 -0.04 3.22 3.07 2ok7A1 PRO 29 HA -0.05 0.17 0.07 -0.51 4.44 4.12 2ok7A1 PRO 29 HB2 -0.03 0.04 0.05 -0.04 2.28 2.30 2ok7A1 PRO 29 HB3 -0.03 0.06 0.12 -0.04 2.02 2.12 2ok7A1 PRO 29 HG2 -0.03 -0.00 0.03 -0.04 2.03 1.99 2ok7A1 PRO 29 HG3 -0.03 0.07 0.07 -0.04 2.03 2.11 2ok7A1 PRO 29 HD2 -0.04 0.05 0.17 -0.04 3.68 3.82 2ok7A1 PRO 29 HD3 -0.03 0.18 0.21 -0.04 3.65 3.97 2ok7A1 ASN 30 H -0.05 0.03 -0.33 -0.55 8.53 7.63 2ok7A1 ASN 30 HA -0.05 0.27 0.82 -0.75 4.76 5.04 2ok7A1 ASN 30 HB2 -0.06 -0.13 0.04 -0.04 2.88 2.70 2ok7A1 ASN 30 HB3 -0.06 -0.02 0.18 -0.04 2.79 2.85 2ok7A1 ASN 30 HD21 -0.03 0.02 -0.04 -0.04 7.03 6.95 2ok7A1 ASN 30 HD22 -0.04 0.05 0.02 -0.04 7.74 7.73 2ok7A1 SER 31 H -0.06 0.41 -0.34 -0.55 8.46 7.92 2ok7A1 SER 31 HA -0.07 0.05 0.80 -0.75 4.49 4.51 2ok7A1 SER 31 HB2 -0.05 -0.07 -0.31 -0.04 3.95 3.47 2ok7A1 SER 31 HB3 -0.07 0.22 0.05 -0.04 3.93 4.08 2ok7A1 PRO 32 HA -0.14 0.20 0.60 -0.51 4.44 4.59 2ok7A1 PRO 32 HB2 -0.25 0.02 0.05 -0.04 2.28 2.06 2ok7A1 PRO 32 HB3 -0.29 0.05 0.08 -0.04 2.02 1.82 2ok7A1 PRO 32 HG2 -0.46 -0.03 -0.01 -0.04 2.03 1.48 2ok7A1 PRO 32 HG3 -1.13 0.02 0.05 -0.04 2.03 0.93 2ok7A1 PRO 32 HD2 -0.23 -0.06 0.24 -0.04 3.68 3.58 2ok7A1 PRO 32 HD3 -0.31 0.25 0.14 -0.04 3.65 3.70 2ok7A1 ASN 33 H -0.12 -0.05 -0.29 -0.55 8.53 7.52 2ok7A1 ASN 33 HA -0.09 0.19 0.71 -0.75 4.76 4.82 2ok7A1 ASN 33 HB2 -0.07 -0.02 0.00 -0.04 2.88 2.75 2ok7A1 ASN 33 HB3 -0.07 -0.02 0.03 -0.04 2.79 2.69 2ok7A1 ASN 33 HD21 -0.00 -0.05 0.04 -0.04 7.03 6.98 2ok7A1 ASN 33 HD22 -0.01 -0.00 0.05 -0.04 7.74 7.74 2ok7A1 GLU 34 H -0.10 0.21 0.13 -0.55 8.60 8.29 2ok7A1 GLU 34 HA -0.19 0.16 0.73 -0.75 4.29 4.23 2ok7A1 GLU 34 HB2 -0.09 0.12 -0.05 -0.04 2.09 2.03 2ok7A1 GLU 34 HB3 -0.06 0.03 0.16 -0.04 1.99 2.09 2ok7A1 GLU 34 HG2 -0.30 -0.08 -0.23 -0.04 2.34 1.69 2ok7A1 GLU 34 HG3 -0.36 0.02 -0.04 -0.04 2.34 1.92 2ok7A1 VAL 35 H -0.30 0.25 0.09 -0.55 8.24 7.73 2ok7A1 VAL 35 HA -0.16 0.31 1.00 -0.75 4.13 4.53 2ok7A1 VAL 35 HB -0.13 -0.06 -0.00 -0.04 2.12 1.89 2ok7A1 VAL 35 HG13 -0.05 -0.01 -0.38 -0.04 0.97 0.50 2ok7A1 VAL 35 HG23 -0.06 -0.02 -0.24 -0.04 0.95 0.59 2ok7A1 TYR 36 H -0.04 0.64 0.26 -0.55 8.29 8.60 2ok7A1 TYR 36 HA -0.05 0.19 1.07 -0.75 4.56 5.02 2ok7A1 TYR 36 HB2 -0.11 0.00 0.01 -0.04 3.06 2.93 2ok7A1 TYR 36 HB3 -0.08 0.06 -0.16 -0.04 2.98 2.76 2ok7A1 TYR 36 HD2 -0.08 -0.02 -0.26 -0.04 7.15 6.74 2ok7A1 TYR 36 HE2 -0.07 -0.00 -0.09 -0.04 6.85 6.65 2ok7A1 HIS 37 H 0.15 0.92 0.36 -0.55 8.41 9.30 2ok7A1 HIS 37 HA -0.01 0.26 0.98 -0.75 4.63 5.11 2ok7A1 HIS 37 HB2 -0.13 -0.08 0.07 -0.04 3.26 3.08 2ok7A1 HIS 37 HB3 -0.04 0.05 0.21 -0.04 3.20 3.38 2ok7A1 HIS 37 HD2 0.01 -0.09 -0.27 -0.04 6.97 6.58 2ok7A1 HIS 37 HE1 0.20 0.01 -0.13 -0.04 7.75 7.79 2ok7A1 LEU 38 H -0.28 0.56 0.27 -0.55 8.37 8.37 2ok7A1 LEU 38 HA -0.14 0.34 1.00 -0.75 4.35 4.79 2ok7A1 LEU 38 HB2 -0.21 -0.08 0.02 -0.04 1.64 1.33 2ok7A1 LEU 38 HB3 -0.17 0.05 -0.09 -0.04 1.64 1.39 2ok7A1 LEU 38 HG -0.14 -0.05 -0.27 -0.04 1.64 1.13 2ok7A1 LEU 38 HD13 -0.22 -0.01 -0.14 -0.04 0.93 0.53 2ok7A1 LEU 38 HD23 -0.18 0.04 -0.08 -0.04 0.89 0.63 2ok7A1 GLU 39 H -0.09 0.37 0.19 -0.55 8.60 8.52 2ok7A1 GLU 39 HA -0.11 0.22 0.86 -0.75 4.29 4.51 2ok7A1 GLU 39 HB2 0.07 -0.00 0.03 -0.04 2.09 2.15 2ok7A1 GLU 39 HB3 -0.00 -0.20 0.19 -0.04 1.99 1.94 2ok7A1 GLU 39 HG2 0.01 0.05 -0.16 -0.04 2.34 2.20 2ok7A1 GLU 39 HG3 0.07 0.04 -0.09 -0.04 2.34 2.32 2ok7A1 ILE 40 H -0.07 0.94 0.21 -0.55 8.25 8.77 2ok7A1 ILE 40 HA -0.08 0.19 0.99 -0.75 4.18 4.52 2ok7A1 ILE 40 HB -0.13 0.00 -0.06 -0.04 1.89 1.66 2ok7A1 ILE 40 HG12 -0.14 0.05 -0.28 -0.04 1.49 1.08 2ok7A1 ILE 40 HG13 -0.15 -0.13 -0.61 -0.04 1.21 0.28 2ok7A1 ILE 40 HG23 -0.11 -0.01 -0.35 -0.04 0.93 0.42 2ok7A1 ILE 40 HD13 -0.19 -0.00 -0.26 -0.04 0.88 0.39 2ok7A1 ASN 41 H -0.05 0.65 0.33 -0.55 8.53 8.90 2ok7A1 ASN 41 HA -0.07 0.03 0.85 -0.75 4.76 4.82 2ok7A1 ASN 41 HB2 -0.05 0.00 0.08 -0.04 2.88 2.86 2ok7A1 ASN 41 HB3 -0.06 0.08 0.20 -0.04 2.79 2.97 2ok7A1 ASN 41 HD21 -0.06 0.04 -0.03 -0.04 7.03 6.94 2ok7A1 ASN 41 HD22 -0.05 0.05 -0.02 -0.04 7.74 7.68 2ok7A1 HIS 42 H -0.32 0.19 0.25 -0.55 8.41 7.98 2ok7A1 HIS 42 HA -0.08 0.29 0.84 -0.75 4.63 4.92 2ok7A1 HIS 42 HB2 0.02 -0.01 0.14 -0.04 3.26 3.37 2ok7A1 HIS 42 HB3 -0.10 0.06 -0.07 -0.04 3.20 3.05 2ok7A1 HIS 42 HD2 -0.02 0.02 0.22 -0.04 6.97 7.14 2ok7A1 HIS 42 HE1 0.13 0.22 -0.05 -0.04 7.75 8.01 2ok7A1 ASN 43 H -0.15 0.07 -0.10 -0.55 8.53 7.81 2ok7A1 ASN 43 HA -0.11 0.03 0.28 -0.75 4.76 4.21 2ok7A1 ASN 43 HB2 -0.02 0.12 -0.14 -0.04 2.88 2.81 2ok7A1 ASN 43 HB3 -0.02 0.04 0.22 -0.04 2.79 3.00 2ok7A1 ASN 43 HD21 -0.03 0.00 -0.04 -0.04 7.03 6.91 2ok7A1 ASN 43 HD22 -0.03 0.09 -0.11 -0.04 7.74 7.65 2ok7A1 GLY 44 H -0.53 -0.04 -0.30 -0.55 8.43 7.01 2ok7A1 GLY 44 HA2 -0.07 0.12 0.29 -0.51 4.01 3.84 2ok7A1 GLY 44 HA3 -0.02 0.12 0.54 -0.51 4.01 4.14 2ok7A1 LEU 45 H 0.25 0.32 -0.24 -0.55 8.37 8.16 2ok7A1 LEU 45 HA 0.14 0.19 0.45 -0.75 4.35 4.37 2ok7A1 LEU 45 HB2 0.14 0.13 0.05 -0.04 1.64 1.91 2ok7A1 LEU 45 HB3 0.22 -0.04 0.09 -0.04 1.64 1.86 2ok7A1 LEU 45 HG 0.07 0.10 -0.20 -0.04 1.64 1.57 2ok7A1 LEU 45 HD13 0.07 -0.01 -0.00 -0.04 0.93 0.95 2ok7A1 LEU 45 HD23 0.08 -0.00 -0.04 -0.04 0.89 0.88 2ok7A1 PHE 46 H 0.65 0.01 -0.13 -0.55 8.34 8.32 2ok7A1 PHE 46 HA 0.14 0.12 0.82 -0.75 4.62 4.95 2ok7A1 PHE 46 HB2 -0.20 -0.02 0.02 -0.04 3.15 2.90 2ok7A1 PHE 46 HB3 -0.70 -0.02 0.06 -0.04 3.06 2.36 2ok7A1 PHE 46 HD2 -0.13 0.00 -0.22 -0.04 7.28 6.89 2ok7A1 PHE 46 HE2 -0.08 -0.11 -0.23 -0.04 7.38 6.92 2ok7A1 PHE 46 HZ -0.05 0.31 -0.25 -0.04 7.32 7.29 2ok7A1 LYS 47 H -0.28 0.20 0.10 -0.55 8.42 7.88 2ok7A1 LYS 47 HA -0.39 0.17 0.74 -0.75 4.32 4.08 2ok7A1 LYS 47 HB2 -0.44 -0.02 0.11 -0.04 1.87 1.48 2ok7A1 LYS 47 HB3 -1.53 -0.00 0.00 -0.04 1.79 0.22 2ok7A1 LYS 47 HG2 -0.14 0.02 -0.22 -0.04 1.46 1.08 2ok7A1 LYS 47 HG3 -0.17 0.02 -0.02 -0.04 1.46 1.25 2ok7A1 LYS 47 HD2 -0.35 -0.04 -0.03 -0.04 1.69 1.23 2ok7A1 LYS 47 HD3 -0.29 0.04 -0.07 -0.04 1.68 1.32 2ok7A1 LYS 47 HE2 -0.03 0.11 -0.04 -0.04 2.99 2.99 2ok7A1 LYS 47 HE3 -0.04 -0.04 -0.03 -0.04 2.99 2.85 2ok7A1 TYR 48 H -0.58 0.34 0.20 -0.55 8.29 7.70 2ok7A1 TYR 48 HA 0.17 0.06 0.60 -0.75 4.56 4.63 2ok7A1 TYR 48 HB2 0.26 0.04 0.06 -0.04 3.06 3.37 2ok7A1 TYR 48 HB3 0.12 0.05 -0.28 -0.04 2.98 2.83 2ok7A1 TYR 48 HD2 0.13 0.11 -0.42 -0.04 7.15 6.94 2ok7A1 TYR 48 HE2 0.02 0.13 -0.16 -0.04 6.85 6.80 2ok7A1 LEU 49 H 0.77 0.14 0.12 -0.55 8.37 8.86 2ok7A1 LEU 49 HA 0.08 0.16 0.80 -0.75 4.35 4.63 2ok7A1 LEU 49 HB2 -0.27 0.00 -0.01 -0.04 1.64 1.32 2ok7A1 LEU 49 HB3 -0.01 0.04 0.11 -0.04 1.64 1.73 2ok7A1 LEU 49 HG 0.39 -0.08 -0.17 -0.04 1.64 1.74 2ok7A1 LEU 49 HD13 -0.02 0.01 -0.03 -0.04 0.93 0.85 2ok7A1 LEU 49 HD23 0.10 0.03 0.04 -0.04 0.89 1.02 2ok7A1 GLU 50 H 0.07 0.12 0.13 -0.55 8.60 8.37 2ok7A1 GLU 50 HA 0.18 0.10 0.47 -0.75 4.29 4.28 2ok7A1 GLU 50 HB2 0.15 -0.02 0.11 -0.04 2.09 2.29 2ok7A1 GLU 50 HB3 0.23 0.04 -0.20 -0.04 1.99 2.03 2ok7A1 GLU 50 HG2 0.08 0.21 -0.03 -0.04 2.34 2.57 2ok7A1 GLU 50 HG3 0.13 0.07 0.01 -0.04 2.34 2.50 2ok7A1 GLY 51 H -0.03 0.19 0.20 -0.55 8.43 8.24 2ok7A1 GLY 51 HA2 -0.18 -0.08 0.41 -0.51 4.01 3.65 2ok7A1 GLY 51 HA3 0.14 0.38 0.81 -0.51 4.01 4.84 2ok7A1 HIS 52 H 0.15 0.41 -0.14 -0.55 8.41 8.29 2ok7A1 HIS 52 HA 0.10 0.07 0.56 -0.75 4.63 4.61 2ok7A1 HIS 52 HB2 0.22 0.15 0.19 -0.04 3.26 3.78 2ok7A1 HIS 52 HB3 0.13 0.07 0.09 -0.04 3.20 3.45 2ok7A1 HIS 52 HD2 0.01 0.00 -0.28 -0.04 6.97 6.65 2ok7A1 HIS 52 HE1 0.08 -0.05 -0.06 -0.04 7.75 7.67 2ok7A1 THR 53 H 0.18 0.56 0.35 -0.55 8.28 8.82 2ok7A1 THR 53 HA 0.04 0.12 0.98 -0.75 4.39 4.78 2ok7A1 THR 53 HB -0.01 -0.02 -0.01 -0.04 4.32 4.24 2ok7A1 THR 53 HG23 -0.04 -0.01 -0.19 -0.04 1.22 0.93 2ok7A1 CYS 54 H 0.04 0.66 0.37 -0.55 8.50 9.02 2ok7A1 CYS 54 HA 0.30 0.39 0.82 -0.75 4.58 5.34 2ok7A1 CYS 54 HB2 -0.23 -0.01 -0.01 -0.04 2.97 2.67 2ok7A1 CYS 54 HB3 -0.17 0.02 -0.09 -0.04 2.97 2.69 2ok7A1 GLY 55 H 0.25 0.31 0.10 -0.55 8.43 8.55 2ok7A1 GLY 55 HA2 0.00 0.28 0.85 -0.51 4.01 4.64 2ok7A1 GLY 55 HA3 0.05 0.03 0.26 -0.51 4.01 3.84 2ok7A1 ILE 56 H 0.13 0.54 0.27 -0.55 8.25 8.64 2ok7A1 ILE 56 HA 0.03 0.32 0.85 -0.75 4.18 4.63 2ok7A1 ILE 56 HB 0.21 -0.02 0.09 -0.04 1.89 2.12 2ok7A1 ILE 56 HG12 -0.03 0.04 -0.17 -0.04 1.49 1.29 2ok7A1 ILE 56 HG13 0.02 -0.04 -0.36 -0.04 1.21 0.79 2ok7A1 ILE 56 HG23 0.10 -0.01 -0.26 -0.04 0.93 0.72 2ok7A1 ILE 56 HD13 -0.20 -0.01 -0.17 -0.04 0.88 0.46 2ok7A1 ILE 57 H 0.01 0.53 0.11 -0.55 8.25 8.35 2ok7A1 ILE 57 HA -0.01 0.21 0.73 -0.75 4.18 4.35 2ok7A1 ILE 57 HB -0.12 -0.04 0.07 -0.04 1.89 1.77 2ok7A1 ILE 57 HG12 -0.05 -0.06 -0.30 -0.04 1.49 1.04 2ok7A1 ILE 57 HG13 -0.06 -0.01 -0.29 -0.04 1.21 0.81 2ok7A1 ILE 57 HG23 -0.01 0.02 -0.24 -0.04 0.93 0.66 2ok7A1 ILE 57 HD13 -0.32 -0.00 -0.16 -0.04 0.88 0.36 2ok7A1 PRO 58 HA -1.68 0.00 0.59 -0.51 4.44 2.85 2ok7A1 PRO 58 HB2 -0.73 0.10 -0.03 -0.04 2.28 1.58 2ok7A1 PRO 58 HB3 -0.82 -0.01 0.08 -0.04 2.02 1.23 2ok7A1 PRO 58 HG2 -0.20 -0.04 -0.01 -0.04 2.03 1.74 2ok7A1 PRO 58 HG3 -0.10 -0.06 0.02 -0.04 2.03 1.84 2ok7A1 PRO 58 HD2 0.09 0.18 0.22 -0.04 3.68 4.13 2ok7A1 PRO 58 HD3 0.01 0.30 0.22 -0.04 3.65 4.14 2ok7A1 TYR 59 H -1.93 0.09 0.19 -0.55 8.29 6.09 2ok7A1 TYR 59 HA -0.22 -0.00 0.29 -0.75 4.56 3.87 2ok7A1 TYR 59 HB2 -0.12 0.25 0.06 -0.04 3.06 3.22 2ok7A1 TYR 59 HB3 -0.07 0.03 0.31 -0.04 2.98 3.21 2ok7A1 TYR 59 HD2 -0.18 0.03 -0.16 -0.04 7.15 6.80 2ok7A1 TYR 59 HE2 -0.17 0.01 -0.02 -0.04 6.85 6.63 2ok7A1 TYR 60 H -0.06 0.09 -0.18 -0.55 8.29 7.59 2ok7A1 TYR 60 HA -0.13 0.12 0.42 -0.75 4.56 4.22 2ok7A1 TYR 60 HB2 -0.18 0.03 -0.10 -0.04 3.06 2.77 2ok7A1 TYR 60 HB3 -0.36 -0.06 0.01 -0.04 2.98 2.53 2ok7A1 TYR 60 HD2 -1.17 -0.02 -0.14 -0.04 7.15 5.78 2ok7A1 TYR 60 HE2 -0.24 0.01 -0.05 -0.04 6.85 6.52 2ok7A1 ASN 61 H -0.64 0.18 0.08 -0.55 8.53 7.61 2ok7A1 ASN 61 HA -0.35 0.05 0.19 -0.75 4.76 3.90 2ok7A1 ASN 61 HB2 -1.14 -0.01 -0.14 -0.04 2.88 1.54 2ok7A1 ASN 61 HB3 -0.29 0.07 -0.12 -0.04 2.79 2.40 2ok7A1 ASN 61 HD21 -0.15 -0.01 0.01 -0.04 7.03 6.83 2ok7A1 ASN 61 HD22 -0.47 0.01 0.01 -0.04 7.74 7.24 2ok7A1 LYS 95 HA -0.12 -0.06 0.18 -0.75 4.32 3.56 2ok7A1 LYS 95 HB2 0.20 0.03 -0.04 -0.04 1.87 2.02 2ok7A1 LYS 95 HB3 0.04 -0.19 0.08 -0.04 1.79 1.68 2ok7A1 LYS 95 HG2 -0.37 0.04 0.03 -0.04 1.46 1.11 2ok7A1 LYS 95 HG3 0.08 -0.02 0.01 -0.04 1.46 1.49 2ok7A1 LYS 95 HD2 -0.01 -0.00 0.02 -0.04 1.69 1.66 2ok7A1 LYS 95 HD3 -0.03 -0.06 0.05 -0.04 1.68 1.60 2ok7A1 LYS 95 HE2 -0.12 0.03 0.04 -0.04 2.99 2.89 2ok7A1 LYS 95 HE3 -0.12 0.02 0.02 -0.04 2.99 2.86 2ok7A1 LYS 96 H -0.01 0.01 0.09 -0.55 8.42 7.96 2ok7A1 LYS 96 HA -0.00 0.12 0.10 -0.75 4.32 3.79 2ok7A1 LYS 96 HB2 -0.01 -0.05 0.07 -0.04 1.87 1.83 2ok7A1 LYS 96 HB3 -0.01 0.00 0.02 -0.04 1.79 1.77 2ok7A1 LYS 96 HG2 -0.02 -0.04 0.10 -0.04 1.46 1.45 2ok7A1 LYS 96 HG3 -0.02 -0.02 0.04 -0.04 1.46 1.42 2ok7A1 LYS 96 HD2 -0.02 -0.02 0.00 -0.04 1.69 1.61 2ok7A1 LYS 96 HD3 -0.02 0.03 -0.01 -0.04 1.68 1.64 2ok7A1 LYS 96 HE2 -0.03 -0.02 -0.01 -0.04 2.99 2.89 2ok7A1 LYS 96 HE3 -0.02 -0.00 -0.02 -0.04 2.99 2.90 2ok7A1 GLN 97 H 0.04 -0.01 -0.08 -0.55 8.47 7.87 2ok7A1 GLN 97 HA 0.02 0.06 0.24 -0.75 4.36 3.92 2ok7A1 GLN 97 HB2 -0.04 -0.02 -0.01 -0.04 2.15 2.04 2ok7A1 GLN 97 HB3 -0.06 -0.03 0.04 -0.04 2.02 1.92 2ok7A1 GLN 97 HG2 -0.06 0.07 -0.08 -0.04 2.40 2.28 2ok7A1 GLN 97 HG3 -0.28 -0.03 -0.05 -0.04 2.39 2.00 2ok7A1 GLN 97 HE21 -0.33 0.00 0.00 -0.04 6.97 6.60 2ok7A1 GLN 97 HE22 -0.43 -0.01 -0.01 -0.04 7.69 7.20 2ok7A1 ARG 98 H 0.04 0.10 0.07 -0.55 8.46 8.11 2ok7A1 ARG 98 HA 0.12 0.26 0.78 -0.75 4.34 4.74 2ok7A1 CYS 99 H 0.14 0.39 -0.12 -0.55 8.50 8.36 2ok7A1 CYS 99 HA 0.02 0.11 0.88 -0.75 4.58 4.84 2ok7A1 CYS 99 HB2 0.05 0.01 0.02 -0.04 2.97 3.01 2ok7A1 CYS 99 HB3 0.01 0.03 -0.06 -0.04 2.97 2.91 2ok7A1 ALA 100 H 0.00 0.10 0.14 -0.55 8.40 8.10 2ok7A1 ALA 100 HA 0.03 0.33 0.45 -0.75 4.34 4.39 2ok7A1 ALA 100 HB3 -0.03 -0.02 -0.08 -0.04 1.41 1.25 2ok7A1 ARG 101 H 0.03 0.51 0.35 -0.55 8.46 8.79 2ok7A1 ARG 101 HA -0.14 0.12 0.90 -0.75 4.34 4.47 2ok7A1 ARG 101 HB2 0.15 -0.01 0.10 -0.04 1.90 2.10 2ok7A1 ARG 101 HB3 -0.19 -0.02 0.11 -0.04 1.80 1.66 2ok7A1 ARG 101 HG2 0.11 0.14 -0.16 -0.04 1.67 1.72 2ok7A1 ARG 101 HG3 0.18 -0.12 0.04 -0.04 1.67 1.73 2ok7A1 ARG 101 HD2 0.03 -0.07 0.05 -0.04 3.22 3.19 2ok7A1 ARG 101 HD3 0.01 0.13 -0.03 -0.04 3.22 3.29 2ok7A1 LEU 102 H -0.35 0.11 0.16 -0.55 8.37 7.74 2ok7A1 LEU 102 HA -0.21 0.31 0.72 -0.75 4.35 4.42 2ok7A1 LEU 102 HB2 -0.31 -0.04 0.10 -0.04 1.64 1.34 2ok7A1 LEU 102 HB3 -0.22 0.01 -0.02 -0.04 1.64 1.37 2ok7A1 LEU 102 HG -0.25 -0.03 -0.05 -0.04 1.64 1.28 2ok7A1 LEU 102 HD13 -0.18 -0.00 -0.05 -0.04 0.93 0.66 2ok7A1 LEU 102 HD23 -0.42 0.01 -0.26 -0.04 0.89 0.17 2ok7A1 TYR 103 H -0.05 0.65 0.38 -0.55 8.29 8.71 2ok7A1 TYR 103 HA -0.15 0.06 0.72 -0.75 4.56 4.43 2ok7A1 TYR 103 HB2 -0.09 0.02 0.00 -0.04 3.06 2.96 2ok7A1 TYR 103 HB3 -0.08 -0.01 0.01 -0.04 2.98 2.87 2ok7A1 TYR 103 HD2 -0.05 0.03 -0.02 -0.04 7.15 7.07 2ok7A1 TYR 103 HE2 0.02 -0.03 -0.01 -0.04 6.85 6.79 2ok7A1 SER 104 H -0.01 0.12 0.15 -0.55 8.46 8.17 2ok7A1 SER 104 HA -0.03 0.14 0.55 -0.75 4.49 4.39 2ok7A1 SER 104 HB2 -0.04 -0.07 0.10 -0.04 3.95 3.90 2ok7A1 SER 104 HB3 -0.09 0.11 -0.10 -0.04 3.93 3.81 2ok7A1 ILE 105 H -0.05 0.57 0.31 -0.55 8.25 8.53 2ok7A1 ILE 105 HA -0.14 0.17 0.69 -0.75 4.18 4.14 2ok7A1 ILE 105 HB -0.16 0.06 0.17 -0.04 1.89 1.92 2ok7A1 ILE 105 HG12 -0.39 -0.03 -0.05 -0.04 1.49 0.98 2ok7A1 ILE 105 HG13 -0.15 -0.05 -0.01 -0.04 1.21 0.96 2ok7A1 ILE 105 HG23 -0.50 -0.04 0.00 -0.04 0.93 0.35 2ok7A1 ILE 105 HD13 -0.27 0.02 -0.22 -0.04 0.88 0.38 2ok7A1 SER 106 H -0.10 0.46 0.10 -0.55 8.46 8.37 2ok7A1 SER 106 HA -0.20 0.31 0.73 -0.75 4.49 4.59 2ok7A1 SER 106 HB2 -0.49 -0.04 0.08 -0.04 3.95 3.45 2ok7A1 SER 106 HB3 -0.11 -0.03 -0.09 -0.04 3.93 3.66 2ok7A1 SER 107 H -0.05 0.23 -0.17 -0.55 8.46 7.93 2ok7A1 SER 107 HA 0.01 0.16 0.78 -0.75 4.49 4.68 2ok7A1 SER 107 HB2 0.11 0.13 0.04 -0.04 3.95 4.19 2ok7A1 SER 107 HB3 0.05 -0.05 -0.12 -0.04 3.93 3.77 2ok7A1 SER 108 H 0.10 0.12 0.08 -0.55 8.46 8.22 2ok7A1 SER 108 HA 0.13 0.12 0.63 -0.75 4.49 4.62 2ok7A1 SER 108 HB2 0.05 -0.03 0.07 -0.04 3.95 4.00 2ok7A1 SER 108 HB3 0.07 0.09 -0.05 -0.04 3.93 3.99 2ok7A1 ASN 109 H -0.03 0.11 0.12 -0.55 8.53 8.19 2ok7A1 ASN 109 HA -0.41 0.12 0.32 -0.75 4.76 4.03 2ok7A1 ASN 109 HB2 -0.08 -0.07 0.12 -0.04 2.88 2.81 2ok7A1 ASN 109 HB3 -0.16 0.08 -0.02 -0.04 2.79 2.65 2ok7A1 ASN 109 HD21 -0.02 0.05 0.22 -0.04 7.03 7.23 2ok7A1 ASN 109 HD22 -0.07 -0.02 0.07 -0.04 7.74 7.68 2ok7A1 ASN 110 H 0.01 -0.01 -0.24 -0.55 8.53 7.75 2ok7A1 ASN 110 HA 0.01 0.10 0.30 -0.75 4.76 4.41 2ok7A1 ASN 110 HB2 0.04 0.02 -0.02 -0.04 2.88 2.88 2ok7A1 ASN 110 HB3 0.02 0.01 0.05 -0.04 2.79 2.83 2ok7A1 ASN 110 HD21 0.10 0.04 -0.07 -0.04 7.03 7.06 2ok7A1 ASN 110 HD22 0.07 0.01 -0.20 -0.04 7.74 7.58 2ok7A1 MET 111 H 0.08 0.23 -0.47 -0.55 8.47 7.77 2ok7A1 MET 111 HA 0.06 -0.01 0.50 -0.75 4.52 4.32 2ok7A1 MET 111 HB2 0.14 0.18 -0.03 -0.04 2.15 2.41 2ok7A1 MET 111 HB3 0.10 -0.07 0.01 -0.04 2.03 2.04 2ok7A1 MET 111 HG2 0.10 -0.01 -0.01 -0.04 2.63 2.68 2ok7A1 MET 111 HG3 0.11 -0.06 -0.04 -0.04 2.56 2.53 2ok7A1 MET 111 HE3 0.25 0.02 -0.02 -0.04 2.10 2.31 2ok7A1 GLU 112 H 0.04 0.02 0.13 -0.55 8.60 8.25 2ok7A1 GLU 112 HA 0.00 0.14 0.40 -0.75 4.29 4.08 2ok7A1 GLU 112 HB2 0.01 -0.08 0.18 -0.04 2.09 2.16 2ok7A1 GLU 112 HB3 -0.03 -0.04 -0.02 -0.04 1.99 1.86 2ok7A1 GLU 112 HG2 -0.02 0.06 0.04 -0.04 2.34 2.38 2ok7A1 GLU 112 HG3 0.00 0.03 0.07 -0.04 2.34 2.40 2ok7A1 ASN 113 H 0.04 0.02 0.01 -0.55 8.53 8.05 2ok7A1 ASN 113 HA 0.03 0.05 0.83 -0.75 4.76 4.91 2ok7A1 ASN 113 HB2 0.03 -0.06 -0.09 -0.04 2.88 2.72 2ok7A1 ASN 113 HB3 0.02 0.12 -0.32 -0.04 2.79 2.56 2ok7A1 ASN 113 HD21 -0.01 0.04 -0.06 -0.04 7.03 6.95 2ok7A1 ASN 113 HD22 0.01 -0.01 -0.08 -0.04 7.74 7.61 2ok7A1 LEU 114 H 0.29 0.24 0.23 -0.55 8.37 8.57 2ok7A1 LEU 114 HA 0.08 0.14 0.67 -0.75 4.35 4.49 2ok7A1 LEU 114 HB2 -0.30 -0.02 0.06 -0.04 1.64 1.34 2ok7A1 LEU 114 HB3 -0.11 0.10 0.01 -0.04 1.64 1.60 2ok7A1 LEU 114 HG -0.11 0.05 0.03 -0.04 1.64 1.56 2ok7A1 LEU 114 HD13 -0.32 -0.02 -0.30 -0.04 0.93 0.25 2ok7A1 LEU 114 HD23 -0.77 0.01 -0.09 -0.04 0.89 -0.00 2ok7A1 SER 115 H -0.07 0.11 0.14 -0.55 8.46 8.09 2ok7A1 SER 115 HA -0.17 0.35 0.96 -0.75 4.49 4.88 2ok7A1 SER 115 HB2 -0.29 0.02 0.04 -0.04 3.95 3.69 2ok7A1 SER 115 HB3 0.03 0.01 -0.13 -0.04 3.93 3.79 2ok7A1 VAL 116 H -0.31 0.48 0.31 -0.55 8.24 8.18 2ok7A1 VAL 116 HA -0.06 0.18 0.71 -0.75 4.13 4.21 2ok7A1 VAL 116 HB -0.18 -0.01 -0.45 -0.04 2.12 1.44 2ok7A1 VAL 116 HG13 -0.21 -0.02 -0.22 -0.04 0.97 0.49 2ok7A1 VAL 116 HG23 -0.07 0.01 -0.17 -0.04 0.95 0.68 2ok7A1 ALA 117 H 0.04 0.30 0.16 -0.55 8.40 8.36 2ok7A1 ALA 117 HA 0.03 0.26 0.98 -0.75 4.34 4.86 2ok7A1 ALA 117 HB3 0.20 -0.01 0.02 -0.04 1.41 1.58 2ok7A1 ILE 118 H -0.03 0.78 0.23 -0.55 8.25 8.68 2ok7A1 ILE 118 HA 0.03 0.13 1.02 -0.75 4.18 4.60 2ok7A1 ILE 118 HB -0.12 0.04 0.09 -0.04 1.89 1.85 2ok7A1 ILE 118 HG12 -0.86 0.04 -0.19 -0.04 1.49 0.44 2ok7A1 ILE 118 HG13 -0.29 -0.11 -0.39 -0.04 1.21 0.38 2ok7A1 ILE 118 HG23 -0.10 0.01 -0.19 -0.04 0.93 0.60 2ok7A1 ILE 118 HD13 -0.56 0.01 -0.14 -0.04 0.88 0.15 2ok7A1 LYS 119 H 0.08 0.14 0.18 -0.55 8.42 8.27 2ok7A1 LYS 119 HA -0.08 0.14 0.79 -0.75 4.32 4.42 2ok7A1 LYS 119 HB2 -0.01 -0.07 0.09 -0.04 1.87 1.84 2ok7A1 LYS 119 HB3 -0.03 -0.02 0.17 -0.04 1.79 1.86 2ok7A1 LYS 119 HG2 -0.50 0.02 -0.33 -0.04 1.46 0.61 2ok7A1 LYS 119 HG3 -0.15 0.04 -0.02 -0.04 1.46 1.29 2ok7A1 LYS 119 HD2 -0.02 -0.07 0.01 -0.04 1.69 1.57 2ok7A1 LYS 119 HD3 -0.03 -0.03 0.01 -0.04 1.68 1.59 2ok7A1 LYS 119 HE2 -0.09 0.02 -0.02 -0.04 2.99 2.86 2ok7A1 LYS 119 HE3 -0.09 0.05 -0.00 -0.04 2.99 2.91 2ok7A1 ILE 120 H -0.09 1.03 0.46 -0.55 8.25 9.10 2ok7A1 ILE 120 HA 0.08 -0.01 0.74 -0.75 4.18 4.24 2ok7A1 ILE 120 HB 0.03 -0.01 0.20 -0.04 1.89 2.06 2ok7A1 ILE 120 HG12 0.03 0.02 -0.05 -0.04 1.49 1.44 2ok7A1 ILE 120 HG13 0.24 0.03 -0.08 -0.04 1.21 1.36 2ok7A1 ILE 120 HG23 0.21 0.00 -0.17 -0.04 0.93 0.92 2ok7A1 ILE 120 HD13 0.10 0.05 -0.14 -0.04 0.88 0.85 2ok7A1 HIS 121 H 0.26 0.07 0.23 -0.55 8.41 8.42 2ok7A1 HIS 121 HA 0.11 0.11 0.69 -0.75 4.63 4.78 2ok7A1 HIS 121 HB2 0.17 -0.17 0.21 -0.04 3.26 3.44 2ok7A1 HIS 121 HB3 0.15 0.11 0.05 -0.04 3.20 3.47 2ok7A1 HIS 121 HD2 0.15 -0.01 0.14 -0.04 6.97 7.20 2ok7A1 HIS 121 HE1 0.10 -0.03 0.02 -0.04 7.75 7.79 2ok7A1 LYS 122 H 0.13 0.16 0.26 -0.55 8.42 8.41 2ok7A1 LYS 122 HA -0.08 0.31 1.07 -0.75 4.32 4.86 2ok7A1 LYS 122 HB2 -0.03 -0.08 0.05 -0.04 1.87 1.77 2ok7A1 LYS 122 HB3 -0.22 0.14 0.13 -0.04 1.79 1.80 2ok7A1 LYS 122 HG2 -0.32 0.08 -0.09 -0.04 1.46 1.09 2ok7A1 LYS 122 HG3 0.08 -0.13 -0.52 -0.04 1.46 0.84 2ok7A1 LYS 122 HD2 -0.02 -0.03 0.00 -0.04 1.69 1.59 2ok7A1 LYS 122 HD3 -0.04 0.02 -0.04 -0.04 1.68 1.57 2ok7A1 LYS 122 HE2 0.19 -0.03 -0.13 -0.04 2.99 2.98 2ok7A1 LYS 122 HE3 0.03 0.09 0.01 -0.04 2.99 3.09 2ok7A1 TYR 123 H -0.35 0.82 0.31 -0.55 8.29 8.51 2ok7A1 TYR 123 HA -0.02 0.01 0.29 -0.75 4.56 4.09 2ok7A1 TYR 123 HB2 -0.00 -0.01 0.08 -0.04 3.06 3.08 2ok7A1 TYR 123 HB3 0.01 0.04 0.15 -0.04 2.98 3.14 2ok7A1 TYR 123 HD2 0.02 0.02 -0.41 -0.04 7.15 6.74 2ok7A1 TYR 123 HE2 0.05 -0.04 -0.31 -0.04 6.85 6.51 2ok7A1 GLU 124 H 0.10 0.09 0.13 -0.55 8.60 8.38 2ok7A1 GLU 124 HA -0.08 0.20 0.83 -0.75 4.29 4.49 2ok7A1 GLU 124 HB2 0.02 -0.03 0.13 -0.04 2.09 2.16 2ok7A1 GLU 124 HB3 -0.01 0.06 0.05 -0.04 1.99 2.05 2ok7A1 GLU 124 HG2 -0.05 0.06 -0.01 -0.04 2.34 2.30 2ok7A1 GLU 124 HG3 -0.02 -0.07 -0.09 -0.04 2.34 2.13 2ok7A1 GLN 125 H -0.05 0.07 0.29 -0.55 8.47 8.24 2ok7A1 GLN 125 HA -0.01 0.14 0.27 -0.75 4.36 4.00 2ok7A1 GLN 125 HB2 -0.03 -0.02 0.01 -0.04 2.15 2.07 2ok7A1 GLN 125 HB3 -0.02 0.01 0.15 -0.04 2.02 2.12 2ok7A1 GLN 125 HG2 -0.06 -0.00 -0.04 -0.04 2.40 2.26 2ok7A1 GLN 125 HG3 -0.11 0.12 1.23 -0.04 2.39 3.58 2ok7A1 GLN 125 HE21 -0.12 -0.07 -0.02 -0.04 6.97 6.71 2ok7A1 GLN 125 HE22 -0.14 0.16 0.01 -0.04 7.69 7.68 2ok7A1 ASN 134 HA -0.22 -0.10 0.27 -0.75 4.76 3.96 2ok7A1 ASN 134 HB2 -0.51 0.11 -0.14 -0.04 2.88 2.31 2ok7A1 ASN 134 HB3 -1.31 -0.04 -0.20 -0.04 2.79 1.19 2ok7A1 ASN 134 HD21 -0.01 -0.01 0.01 -0.04 7.03 6.98 2ok7A1 ASN 134 HD22 -0.09 0.00 0.05 -0.04 7.74 7.65 2ok7A1 TYR 135 H 0.02 0.15 0.14 -0.55 8.29 8.05 2ok7A1 TYR 135 HA -0.04 0.28 1.05 -0.75 4.56 5.10 2ok7A1 TYR 135 HB2 0.04 -0.02 0.05 -0.04 3.06 3.09 2ok7A1 TYR 135 HB3 0.07 -0.10 0.04 -0.04 2.98 2.95 2ok7A1 TYR 135 HD2 0.01 -0.02 -0.10 -0.04 7.15 7.00 2ok7A1 TYR 135 HE2 -0.00 -0.01 -0.08 -0.04 6.85 6.72 2ok7A1 GLY 136 H 0.33 0.48 0.24 -0.55 8.43 8.93 2ok7A1 GLY 136 HA2 0.33 0.13 0.56 -0.51 4.01 4.53 2ok7A1 GLY 136 HA3 0.27 -0.05 0.38 -0.51 4.01 4.10 2ok7A1 TYR 137 H 0.31 0.15 0.17 -0.55 8.29 8.36 2ok7A1 TYR 137 HA 0.19 0.17 0.30 -0.75 4.56 4.47 2ok7A1 TYR 137 HB2 0.10 0.03 0.15 -0.04 3.06 3.30 2ok7A1 TYR 137 HB3 0.10 -0.08 0.17 -0.04 2.98 3.14 2ok7A1 TYR 137 HD2 0.10 -0.02 -0.00 -0.04 7.15 7.19 2ok7A1 TYR 137 HE2 0.04 0.06 -0.01 -0.04 6.85 6.89 2ok7A1 CYS 138 H 0.22 0.07 0.02 -0.55 8.50 8.27 2ok7A1 CYS 138 HA -0.06 0.19 0.57 -0.75 4.58 4.52 2ok7A1 CYS 138 HB2 0.17 0.08 0.10 -0.04 2.97 3.28 2ok7A1 CYS 138 HB3 0.24 -0.04 0.05 -0.04 2.97 3.18 2ok7A1 SER 139 H 0.20 -0.03 -0.29 -0.55 8.46 7.80 2ok7A1 SER 139 HA 0.11 0.08 0.36 -0.75 4.49 4.29 2ok7A1 SER 139 HB2 0.27 0.07 0.18 -0.04 3.95 4.43 2ok7A1 SER 139 HB3 0.24 0.07 0.13 -0.04 3.93 4.33 2ok7A1 GLY 140 H 0.14 0.65 -0.21 -0.55 8.43 8.47 2ok7A1 GLY 140 HA2 -0.25 0.04 0.41 -0.51 4.01 3.69 2ok7A1 GLY 140 HA3 0.07 0.12 0.24 -0.51 4.01 3.92 2ok7A1 PHE 141 H 0.07 0.22 -0.32 -0.55 8.34 7.75 2ok7A1 PHE 141 HA -0.30 0.09 0.48 -0.75 4.62 4.14 2ok7A1 PHE 141 HB2 -1.08 0.06 0.12 -0.04 3.15 2.20 2ok7A1 PHE 141 HB3 -0.40 0.06 0.20 -0.04 3.06 2.88 2ok7A1 PHE 141 HD2 -0.62 0.04 -0.03 -0.04 7.28 6.63 2ok7A1 PHE 141 HE2 -0.18 0.03 -0.03 -0.04 7.38 7.17 2ok7A1 PHE 141 HZ -0.09 0.17 0.09 -0.04 7.32 7.44 2ok7A1 ILE 142 H -0.11 0.61 -0.04 -0.55 8.25 8.17 2ok7A1 ILE 142 HA -0.48 0.06 0.53 -0.75 4.18 3.53 2ok7A1 ILE 142 HB -0.09 0.03 0.02 -0.04 1.89 1.81 2ok7A1 ILE 142 HG12 -0.06 0.21 -0.04 -0.04 1.49 1.56 2ok7A1 ILE 142 HG13 -0.21 -0.09 -0.11 -0.04 1.21 0.77 2ok7A1 ILE 142 HG23 -0.16 -0.02 -0.11 -0.04 0.93 0.60 2ok7A1 ILE 142 HD13 -0.24 -0.01 -0.13 -0.04 0.88 0.46 2ok7A1 LYS 143 H -0.18 0.47 -0.21 -0.55 8.42 7.94 2ok7A1 LYS 143 HA -0.23 -0.03 0.37 -0.75 4.32 3.68 2ok7A1 LYS 143 HB2 -0.31 0.14 0.18 -0.04 1.87 1.83 2ok7A1 LYS 143 HB3 -0.35 0.08 0.04 -0.04 1.79 1.52 2ok7A1 LYS 143 HG2 -0.06 -0.07 0.00 -0.04 1.46 1.29 2ok7A1 LYS 143 HG3 -0.65 -0.05 -0.04 -0.04 1.46 0.68 2ok7A1 LYS 143 HD2 -0.25 -0.01 -0.08 -0.04 1.69 1.32 2ok7A1 LYS 143 HD3 -0.17 0.07 -0.07 -0.04 1.68 1.46 2ok7A1 LYS 143 HE2 0.09 -0.04 -0.02 -0.04 2.99 2.98 2ok7A1 LYS 143 HE3 0.05 -0.02 -0.04 -0.04 2.99 2.93 2ok7A1 ASN 144 H -0.24 0.38 -0.26 -0.55 8.53 7.87 2ok7A1 ASN 144 HA -0.17 0.08 0.43 -0.75 4.76 4.35 2ok7A1 ASN 144 HB2 -0.09 0.10 0.09 -0.04 2.88 2.94 2ok7A1 ASN 144 HB3 -0.07 -0.06 0.07 -0.04 2.79 2.69 2ok7A1 ASN 144 HD21 -0.11 -0.09 -0.03 -0.04 7.03 6.76 2ok7A1 ASN 144 HD22 -0.17 0.23 0.07 -0.04 7.74 7.83 2ok7A1 LEU 145 H -0.37 0.18 -0.61 -0.55 8.37 7.02 2ok7A1 LEU 145 HA -0.33 -0.03 0.40 -0.75 4.35 3.63 2ok7A1 LEU 145 HB2 -0.41 0.25 0.09 -0.04 1.64 1.53 2ok7A1 LEU 145 HB3 -0.32 -0.06 -0.14 -0.04 1.64 1.08 2ok7A1 LEU 145 HG -0.95 0.19 0.03 -0.04 1.64 0.88 2ok7A1 LEU 145 HD13 -0.37 -0.04 -0.07 -0.04 0.93 0.41 2ok7A1 LEU 145 HD23 -0.41 -0.01 -0.02 -0.04 0.89 0.41 2ok7A1 LYS 146 H -0.17 0.11 0.19 -0.55 8.42 7.99 2ok7A1 LYS 146 HA -0.14 0.16 0.80 -0.75 4.32 4.39 2ok7A1 LYS 146 HB2 -0.09 -0.03 0.05 -0.04 1.87 1.77 2ok7A1 LYS 146 HB3 -0.08 0.04 0.08 -0.04 1.79 1.79 2ok7A1 LYS 146 HG2 -0.09 -0.01 0.02 -0.04 1.46 1.34 2ok7A1 LYS 146 HG3 -0.10 0.17 -0.17 -0.04 1.46 1.31 2ok7A1 LYS 146 HD2 -0.05 -0.01 -0.00 -0.04 1.69 1.58 2ok7A1 LYS 146 HD3 -0.05 -0.04 0.01 -0.04 1.68 1.56 2ok7A1 LYS 146 HE2 -0.04 -0.05 -0.00 -0.04 2.99 2.85 2ok7A1 LYS 146 HE3 -0.06 -0.01 -0.01 -0.04 2.99 2.87 2ok7A1 ILE 147 H -0.09 0.12 0.09 -0.55 8.25 7.81 2ok7A1 ILE 147 HA -0.09 0.03 0.50 -0.75 4.18 3.86 2ok7A1 ILE 147 HB -0.06 -0.04 0.14 -0.04 1.89 1.88 2ok7A1 ILE 147 HG12 -0.05 0.07 0.00 -0.04 1.49 1.47 2ok7A1 ILE 147 HG13 -0.06 0.04 -0.31 -0.04 1.21 0.84 2ok7A1 ILE 147 HG23 -0.04 0.01 -0.07 -0.04 0.93 0.78 2ok7A1 ILE 147 HD13 -0.08 -0.07 -0.20 -0.04 0.88 0.49 2ok7A1 ASN 148 H -0.07 0.61 0.30 -0.55 8.53 8.82 2ok7A1 ASN 148 HA -0.06 0.04 0.37 -0.75 4.76 4.36 2ok7A1 ASN 148 HB2 -0.04 -0.06 -0.14 -0.04 2.88 2.60 2ok7A1 ASN 148 HB3 -0.04 0.08 0.21 -0.04 2.79 3.00 2ok7A1 ASN 148 HD21 -0.03 -0.03 0.03 -0.04 7.03 6.97 2ok7A1 ASN 148 HD22 -0.03 0.02 0.06 -0.04 7.74 7.75 2ok7A1 ASP 149 H -0.08 0.22 -0.10 -0.55 8.40 7.89 2ok7A1 ASP 149 HA -0.04 0.10 0.63 -0.75 4.63 4.57 2ok7A1 ASP 149 HB2 -0.12 0.16 0.15 -0.04 2.71 2.86 2ok7A1 ASP 149 HB3 -0.07 0.13 0.00 -0.04 2.70 2.72 2ok7A1 ASP 150 H 0.01 0.11 0.19 -0.55 8.40 8.16 2ok7A1 ASP 150 HA -0.12 0.30 0.82 -0.75 4.63 4.88 2ok7A1 ASP 150 HB2 0.10 -0.02 0.14 -0.04 2.71 2.90 2ok7A1 ASP 150 HB3 -0.16 0.00 0.02 -0.04 2.70 2.52 2ok7A1 ILE 151 H -0.22 0.69 0.28 -0.55 8.25 8.44 2ok7A1 ILE 151 HA 0.16 0.11 0.58 -0.75 4.18 4.27 2ok7A1 ILE 151 HB -0.03 0.08 -0.19 -0.04 1.89 1.70 2ok7A1 ILE 151 HG12 -0.05 -0.03 -0.29 -0.04 1.49 1.07 2ok7A1 ILE 151 HG13 0.11 -0.03 -0.03 -0.04 1.21 1.22 2ok7A1 ILE 151 HG23 -0.12 -0.01 -0.31 -0.04 0.93 0.45 2ok7A1 ILE 151 HD13 -0.03 -0.01 -0.15 -0.04 0.88 0.65 2ok7A1 TYR 152 H 0.21 0.21 0.10 -0.55 8.29 8.25 2ok7A1 TYR 152 HA -0.06 0.39 0.99 -0.75 4.56 5.13 2ok7A1 TYR 152 HB2 -0.10 -0.02 0.09 -0.04 3.06 2.99 2ok7A1 TYR 152 HB3 -0.20 0.03 -0.15 -0.04 2.98 2.63 2ok7A1 TYR 152 HD2 0.07 0.01 -0.28 -0.04 7.15 6.91 2ok7A1 TYR 152 HE2 0.14 0.06 -0.11 -0.04 6.85 6.89 2ok7A1 LEU 153 H -0.08 0.59 0.28 -0.55 8.37 8.61 2ok7A1 LEU 153 HA -0.04 0.42 0.95 -0.75 4.35 4.92 2ok7A1 LEU 153 HB2 -0.21 -0.02 0.06 -0.04 1.64 1.43 2ok7A1 LEU 153 HB3 -0.32 -0.03 -0.01 -0.04 1.64 1.23 2ok7A1 LEU 153 HG -0.23 0.05 -0.18 -0.04 1.64 1.24 2ok7A1 LEU 153 HD13 -0.70 -0.01 -0.15 -0.04 0.93 0.03 2ok7A1 LEU 153 HD23 -0.20 -0.00 -0.28 -0.04 0.89 0.36 2ok7A1 THR 154 H 0.13 0.39 0.19 -0.55 8.28 8.43 2ok7A1 THR 154 HA 0.21 0.16 0.90 -0.75 4.39 4.90 2ok7A1 THR 154 HB 0.17 0.03 -0.28 -0.04 4.32 4.20 2ok7A1 THR 154 HG23 0.03 0.05 -0.50 -0.04 1.22 0.75 2ok7A1 GLY 155 H 0.47 0.09 -0.01 -0.55 8.43 8.43 2ok7A1 GLY 155 HA2 -0.08 0.00 0.47 -0.51 4.01 3.89 2ok7A1 GLY 155 HA3 -0.14 0.10 0.31 -0.51 4.01 3.78 2ok7A1 ALA 156 H -0.35 0.28 0.38 -0.55 8.40 8.16 2ok7A1 ALA 156 HA -0.09 0.28 0.97 -0.75 4.34 4.73 2ok7A1 ALA 156 HB3 -0.47 0.04 0.07 -0.04 1.41 1.01 2ok7A1 HIS 157 H -0.02 0.63 0.38 -0.55 8.41 8.86 2ok7A1 HIS 157 HA -0.16 0.14 0.84 -0.75 4.63 4.70 2ok7A1 HIS 157 HB2 -0.03 -0.08 -0.03 -0.04 3.26 3.08 2ok7A1 HIS 157 HB3 -0.04 -0.06 0.09 -0.04 3.20 3.15 2ok7A1 HIS 157 HD2 0.04 -0.07 -0.22 -0.04 6.97 6.67 2ok7A1 HIS 157 HE1 0.01 -0.06 -0.02 -0.04 7.75 7.64 2ok7A1 GLY 158 H -0.07 0.13 0.12 -0.55 8.43 8.05 2ok7A1 GLY 158 HA2 0.09 0.02 0.36 -0.51 4.01 3.97 2ok7A1 GLY 158 HA3 0.14 0.12 0.57 -0.51 4.01 4.34 2ok7A1 TYR 159 H 0.31 0.13 0.15 -0.55 8.29 8.32 2ok7A1 TYR 159 HA 0.22 0.20 0.61 -0.75 4.56 4.83 2ok7A1 TYR 159 HB2 0.17 -0.01 0.07 -0.04 3.06 3.25 2ok7A1 TYR 159 HB3 0.15 0.05 0.19 -0.04 2.98 3.33 2ok7A1 TYR 159 HD2 0.12 -0.02 -0.04 -0.04 7.15 7.16 2ok7A1 TYR 159 HE2 0.07 -0.01 -0.03 -0.04 6.85 6.84 2ok7A1 PHE 160 H 0.37 0.07 -0.04 -0.55 8.34 8.19 2ok7A1 PHE 160 HA 0.25 0.13 0.39 -0.75 4.62 4.63 2ok7A1 PHE 160 HB2 0.17 -0.12 0.09 -0.04 3.15 3.25 2ok7A1 PHE 160 HB3 0.13 0.19 0.22 -0.04 3.06 3.55 2ok7A1 PHE 160 HD2 0.12 -0.01 -0.08 -0.04 7.28 7.27 2ok7A1 PHE 160 HE2 0.02 0.05 -0.18 -0.04 7.38 7.22 2ok7A1 PHE 160 HZ 0.50 -0.07 -0.29 -0.04 7.32 7.42 2ok7A1 ASN 161 H 0.09 0.46 0.05 -0.55 8.53 8.59 2ok7A1 ASN 161 HA 0.12 0.25 0.77 -0.75 4.76 5.16 2ok7A1 ASN 161 HB2 0.01 0.04 -0.10 -0.04 2.88 2.79 2ok7A1 ASN 161 HB3 -0.06 0.02 0.03 -0.04 2.79 2.75 2ok7A1 ASN 161 HD21 -0.10 0.03 -0.24 -0.04 7.03 6.67 2ok7A1 ASN 161 HD22 0.09 0.08 -0.15 -0.04 7.74 7.72 2ok7A1 LEU 162 H -0.23 0.13 0.11 -0.55 8.37 7.83 2ok7A1 LEU 162 HA -0.32 0.16 0.65 -0.75 4.35 4.09 2ok7A1 LEU 162 HB2 -0.26 -0.08 0.07 -0.04 1.64 1.33 2ok7A1 LEU 162 HB3 -0.23 0.11 0.06 -0.04 1.64 1.53 2ok7A1 LEU 162 HG -1.36 -0.03 0.01 -0.04 1.64 0.21 2ok7A1 LEU 162 HD13 -0.36 -0.02 0.02 -0.04 0.93 0.54 2ok7A1 LEU 162 HD23 -1.33 0.02 -0.04 -0.04 0.89 -0.51 2ok7A1 PRO 163 HA 0.01 0.11 0.67 -0.51 4.44 4.73 2ok7A1 PRO 163 HB2 0.03 -0.14 0.02 -0.04 2.28 2.15 2ok7A1 PRO 163 HB3 0.06 0.13 0.13 -0.04 2.02 2.30 2ok7A1 PRO 163 HG2 0.09 -0.07 0.07 -0.04 2.03 2.08 2ok7A1 PRO 163 HG3 0.11 0.15 0.08 -0.04 2.03 2.32 2ok7A1 PRO 163 HD2 0.15 0.06 0.23 -0.04 3.68 4.07 2ok7A1 PRO 163 HD3 0.14 0.26 0.14 -0.04 3.65 4.15 2ok7A1 ASN 164 H 0.00 0.18 0.15 -0.55 8.53 8.32 2ok7A1 ASN 164 HA -0.02 0.11 0.34 -0.75 4.76 4.44 2ok7A1 ASN 164 HB2 -0.01 0.03 0.04 -0.04 2.88 2.91 2ok7A1 ASN 164 HB3 -0.01 0.04 0.12 -0.04 2.79 2.90 2ok7A1 ASN 164 HD21 -0.00 0.03 0.00 -0.04 7.03 7.01 2ok7A1 ASN 164 HD22 -0.00 0.02 -0.08 -0.04 7.74 7.63 2ok7A1 ASP 165 H 0.00 0.07 -0.28 -0.55 8.40 7.65 2ok7A1 ASP 165 HA -0.00 0.11 0.41 -0.75 4.63 4.40 2ok7A1 ASP 165 HB2 -0.00 0.03 -0.01 -0.04 2.71 2.69 2ok7A1 ASP 165 HB3 -0.01 0.03 0.04 -0.04 2.70 2.72 2ok7A1 ALA 166 H 0.00 0.38 -0.51 -0.55 8.40 7.73 2ok7A1 ALA 166 HA 0.05 0.01 0.02 -0.75 4.34 3.66 2ok7A1 ALA 166 HB3 0.03 0.04 0.05 -0.04 1.41 1.50 2ok7A1 ILE 167 H -0.00 0.14 0.07 -0.55 8.25 7.91 2ok7A1 ILE 167 HA 0.14 0.09 0.58 -0.75 4.18 4.24 2ok7A1 ILE 167 HB 0.01 -0.01 0.09 -0.04 1.89 1.93 2ok7A1 ILE 167 HG12 -0.08 0.07 0.07 -0.04 1.49 1.51 2ok7A1 ILE 167 HG13 -0.07 -0.11 0.05 -0.04 1.21 1.04 2ok7A1 ILE 167 HG23 0.03 0.02 -0.06 -0.04 0.93 0.88 2ok7A1 ILE 167 HD13 -0.04 0.02 -0.01 -0.04 0.88 0.81 2ok7A1 GLN 168 H 0.02 0.10 -0.13 -0.55 8.47 7.91 2ok7A1 GLN 168 HA 0.01 0.09 0.35 -0.75 4.36 4.06 2ok7A1 GLN 168 HB2 0.00 0.06 0.11 -0.04 2.15 2.28 2ok7A1 GLN 168 HB3 0.00 0.00 0.01 -0.04 2.02 1.99 2ok7A1 GLN 168 HG2 0.00 -0.01 0.02 -0.04 2.40 2.36 2ok7A1 GLN 168 HG3 0.01 0.03 0.02 -0.04 2.39 2.40 2ok7A1 GLN 168 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.91 2ok7A1 GLN 168 HE22 0.01 0.03 -0.03 -0.04 7.69 7.66 2ok7A1 LYS 169 H 0.02 0.42 -0.14 -0.55 8.42 8.17 2ok7A1 LYS 169 HA -0.01 0.15 0.67 -0.75 4.32 4.37 2ok7A1 LYS 169 HB2 -0.01 -0.01 -0.09 -0.04 1.87 1.71 2ok7A1 LYS 169 HB3 -0.03 0.02 -0.03 -0.04 1.79 1.70 2ok7A1 LYS 169 HG2 -0.01 -0.02 -0.12 -0.04 1.46 1.27 2ok7A1 LYS 169 HG3 -0.02 -0.11 -0.02 -0.04 1.46 1.27 2ok7A1 LYS 169 HD2 -0.03 0.00 -0.00 -0.04 1.69 1.62 2ok7A1 LYS 169 HD3 -0.03 0.07 0.03 -0.04 1.68 1.72 2ok7A1 LYS 169 HE2 -0.02 -0.06 -0.02 -0.04 2.99 2.86 2ok7A1 LYS 169 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 2ok7A1 ASN 170 H 0.05 0.18 -0.40 -0.55 8.53 7.81 2ok7A1 ASN 170 HA 0.09 -0.00 0.36 -0.75 4.76 4.45 2ok7A1 ASN 170 HB2 -0.09 0.13 0.06 -0.04 2.88 2.94 2ok7A1 ASN 170 HB3 -0.24 -0.09 0.03 -0.04 2.79 2.45 2ok7A1 ASN 170 HD21 -0.04 0.03 -0.01 -0.04 7.03 6.98 2ok7A1 ASN 170 HD22 -0.05 0.00 -0.13 -0.04 7.74 7.52 2ok7A1 THR 171 H 0.05 0.15 -0.05 -0.55 8.28 7.88 2ok7A1 THR 171 HA -0.15 0.16 0.40 -0.75 4.39 4.05 2ok7A1 THR 171 HB -0.46 0.13 0.03 -0.04 4.32 3.98 2ok7A1 THR 171 HG23 -0.10 -0.01 -0.04 -0.04 1.22 1.03 2ok7A1 ASN 172 H -0.24 0.25 0.22 -0.55 8.53 8.22 2ok7A1 ASN 172 HA -0.14 0.12 0.80 -0.75 4.76 4.78 2ok7A1 ASN 172 HB2 -0.09 0.24 0.06 -0.04 2.88 3.06 2ok7A1 ASN 172 HB3 -0.05 -0.03 0.08 -0.04 2.79 2.75 2ok7A1 ASN 172 HD21 0.02 -0.01 0.07 -0.04 7.03 7.07 2ok7A1 ASN 172 HD22 -0.02 -0.03 0.06 -0.04 7.74 7.71 2ok7A1 PHE 173 H -0.05 0.69 0.41 -0.55 8.34 8.84 2ok7A1 PHE 173 HA -0.09 0.20 1.08 -0.75 4.62 5.06 2ok7A1 PHE 173 HB2 -0.55 -0.04 0.06 -0.04 3.15 2.58 2ok7A1 PHE 173 HB3 -1.33 -0.04 -0.12 -0.04 3.06 1.53 2ok7A1 PHE 173 HD2 0.00 0.08 -0.07 -0.04 7.28 7.25 2ok7A1 PHE 173 HE2 -0.12 -0.03 -0.06 -0.04 7.38 7.13 2ok7A1 PHE 173 HZ -0.15 -0.11 -0.04 -0.04 7.32 6.98 2ok7A1 ILE 174 H 0.17 0.59 0.20 -0.55 8.25 8.66 2ok7A1 ILE 174 HA 0.02 0.28 0.98 -0.75 4.18 4.70 2ok7A1 ILE 174 HB 0.25 -0.06 0.11 -0.04 1.89 2.15 2ok7A1 ILE 174 HG12 0.16 0.03 -0.03 -0.04 1.49 1.61 2ok7A1 ILE 174 HG13 0.09 -0.03 -0.34 -0.04 1.21 0.88 2ok7A1 ILE 174 HG23 0.52 -0.02 -0.11 -0.04 0.93 1.28 2ok7A1 ILE 174 HD13 -0.13 -0.02 -0.12 -0.04 0.88 0.57 2ok7A1 PHE 175 H -0.02 0.71 0.30 -0.55 8.34 8.77 2ok7A1 PHE 175 HA -0.13 0.19 1.05 -0.75 4.62 4.98 2ok7A1 PHE 175 HB2 -0.40 -0.05 0.11 -0.04 3.15 2.77 2ok7A1 PHE 175 HB3 -1.85 -0.03 -0.04 -0.04 3.06 1.09 2ok7A1 PHE 175 HD2 -0.23 0.04 -0.13 -0.04 7.28 6.93 2ok7A1 PHE 175 HE2 -0.66 0.04 -0.14 -0.04 7.38 6.59 2ok7A1 PHE 175 HZ -1.22 0.01 -0.13 -0.04 7.32 5.95 2ok7A1 ILE 176 H 0.41 0.76 0.33 -0.55 8.25 9.20 2ok7A1 ILE 176 HA 0.35 0.28 1.19 -0.75 4.18 5.24 2ok7A1 ILE 176 HB 0.28 -0.04 0.18 -0.04 1.89 2.27 2ok7A1 ILE 176 HG12 0.30 0.01 -0.09 -0.04 1.49 1.67 2ok7A1 ILE 176 HG13 0.35 0.04 -0.26 -0.04 1.21 1.31 2ok7A1 ILE 176 HG23 0.18 -0.04 -0.07 -0.04 0.93 0.97 2ok7A1 ILE 176 HD13 0.10 -0.01 -0.09 -0.04 0.88 0.84 2ok7A1 ALA 177 H 0.39 0.66 0.39 -0.55 8.40 9.29 2ok7A1 ALA 177 HA 0.33 0.43 1.06 -0.75 4.34 5.40 2ok7A1 ALA 177 HB3 0.37 -0.02 -0.28 -0.04 1.41 1.45 2ok7A1 THR 178 H 0.20 0.50 0.43 -0.55 8.28 8.86 2ok7A1 THR 178 HA 0.32 0.27 0.72 -0.75 4.39 4.96 2ok7A1 THR 178 HB 0.26 0.07 0.20 -0.04 4.32 4.81 2ok7A1 THR 178 HG23 0.17 -0.00 0.08 -0.04 1.22 1.42 2ok7A1 GLY 179 H 0.23 0.46 0.24 -0.55 8.43 8.81 2ok7A1 GLY 179 HA2 0.19 0.08 0.43 -0.51 4.01 4.20 2ok7A1 GLY 179 HA3 0.16 -0.01 0.43 -0.51 4.01 4.08 2ok7A1 THR 180 H 0.16 0.17 0.28 -0.55 8.28 8.34 2ok7A1 THR 180 HA 0.19 0.10 0.55 -0.75 4.39 4.47 2ok7A1 THR 180 HB 0.18 0.09 0.23 -0.04 4.32 4.78 2ok7A1 THR 180 HG23 0.13 -0.03 0.04 -0.04 1.22 1.31 2ok7A1 GLY 181 H 0.16 0.48 -0.24 -0.55 8.43 8.28 2ok7A1 GLY 181 HA2 0.03 0.07 0.37 -0.51 4.01 3.97 2ok7A1 GLY 181 HA3 0.04 0.15 0.27 -0.51 4.01 3.96 2ok7A1 ILE 182 H 0.08 0.22 -0.53 -0.55 8.25 7.48 2ok7A1 ILE 182 HA -0.05 0.13 0.55 -0.75 4.18 4.06 2ok7A1 ILE 182 HB -0.66 -0.02 -0.06 -0.04 1.89 1.11 2ok7A1 ILE 182 HG12 -0.35 0.09 -0.10 -0.04 1.49 1.09 2ok7A1 ILE 182 HG13 -0.11 -0.07 -0.05 -0.04 1.21 0.95 2ok7A1 ILE 182 HG23 0.13 0.05 -0.21 -0.04 0.93 0.86 2ok7A1 ILE 182 HD13 -0.30 0.01 -0.12 -0.04 0.88 0.42 2ok7A1 SER 183 H -0.02 0.41 -0.23 -0.55 8.46 8.08 2ok7A1 SER 183 HA -0.17 -0.03 0.23 -0.75 4.49 3.77 2ok7A1 SER 183 HB2 -0.02 0.13 0.15 -0.04 3.95 4.17 2ok7A1 SER 183 HB3 -0.06 0.08 -0.20 -0.04 3.93 3.71 2ok7A1 PRO 184 HA -0.44 0.16 0.53 -0.51 4.44 4.18 2ok7A1 PRO 184 HB2 -0.58 0.09 -0.05 -0.04 2.28 1.70 2ok7A1 PRO 184 HB3 -0.17 0.08 0.10 -0.04 2.02 2.00 2ok7A1 PRO 184 HG2 -0.76 0.11 -0.03 -0.04 2.03 1.30 2ok7A1 PRO 184 HG3 -0.20 0.03 0.04 -0.04 2.03 1.85 2ok7A1 PRO 184 HD2 -0.30 0.07 -0.31 -0.04 3.68 3.10 2ok7A1 PRO 184 HD3 -0.17 0.05 0.03 -0.04 3.65 3.52 2ok7A1 TYR 185 H -0.63 0.25 -0.47 -0.55 8.29 6.90 2ok7A1 TYR 185 HA -0.97 0.08 0.41 -0.75 4.56 3.33 2ok7A1 TYR 185 HB2 -0.29 0.10 0.02 -0.04 3.06 2.86 2ok7A1 TYR 185 HB3 -0.46 -0.01 -0.04 -0.04 2.98 2.43 2ok7A1 TYR 185 HD2 -0.59 -0.04 -0.15 -0.04 7.15 6.34 2ok7A1 TYR 185 HE2 0.11 0.01 -0.38 -0.04 6.85 6.54 2ok7A1 ILE 186 H -0.26 0.53 -0.11 -0.55 8.25 7.86 2ok7A1 ILE 186 HA -0.13 0.03 0.40 -0.75 4.18 3.73 2ok7A1 ILE 186 HB -0.45 0.11 0.08 -0.04 1.89 1.59 2ok7A1 ILE 186 HG12 -0.15 0.20 -0.15 -0.04 1.49 1.34 2ok7A1 ILE 186 HG13 -0.37 -0.09 -0.14 -0.04 1.21 0.57 2ok7A1 ILE 186 HG23 -0.46 -0.00 -0.11 -0.04 0.93 0.32 2ok7A1 ILE 186 HD13 0.03 -0.01 -0.08 -0.04 0.88 0.78 2ok7A1 SER 187 H -0.30 0.45 -0.26 -0.55 8.46 7.80 2ok7A1 SER 187 HA -0.08 0.00 0.17 -0.75 4.49 3.82 2ok7A1 SER 187 HB2 -0.01 0.03 -0.38 -0.04 3.95 3.55 2ok7A1 SER 187 HB3 -0.14 -0.03 -0.18 -0.04 3.93 3.53 2ok7A1 PHE 188 H -0.33 0.39 -0.37 -0.55 8.34 7.47 2ok7A1 PHE 188 HA -0.25 -0.01 0.46 -0.75 4.62 4.06 2ok7A1 PHE 188 HB2 -0.48 0.17 0.15 -0.04 3.15 2.95 2ok7A1 PHE 188 HB3 -0.46 -0.00 -0.07 -0.04 3.06 2.48 2ok7A1 PHE 188 HD2 -0.89 -0.09 -0.14 -0.04 7.28 6.13 2ok7A1 PHE 188 HE2 -0.68 0.09 -0.37 -0.04 7.38 6.39 2ok7A1 PHE 188 HZ -0.47 0.22 -0.22 -0.04 7.32 6.81 2ok7A1 LEU 189 H -0.11 0.59 -0.13 -0.55 8.37 8.17 2ok7A1 LEU 189 HA -0.19 0.05 0.32 -0.75 4.35 3.79 2ok7A1 LEU 189 HB2 -0.32 0.07 0.05 -0.04 1.64 1.40 2ok7A1 LEU 189 HB3 -1.15 -0.01 -0.05 -0.04 1.64 0.39 2ok7A1 LEU 189 HG -0.04 0.06 -0.01 -0.04 1.64 1.61 2ok7A1 LEU 189 HD13 -0.04 -0.03 -0.18 -0.04 0.93 0.64 2ok7A1 LEU 189 HD23 -0.04 0.00 -0.10 -0.04 0.89 0.72 2ok7A1 LYS 190 H -0.05 0.41 -0.37 -0.55 8.42 7.86 2ok7A1 LYS 190 HA 0.32 0.04 0.47 -0.75 4.32 4.39 2ok7A1 LYS 190 HB2 0.01 0.08 0.09 -0.04 1.87 2.01 2ok7A1 LYS 190 HB3 0.12 -0.10 -0.02 -0.04 1.79 1.75 2ok7A1 LYS 190 HG2 -0.12 -0.06 -0.01 -0.04 1.46 1.22 2ok7A1 LYS 190 HG3 -0.08 0.07 -0.03 -0.04 1.46 1.39 2ok7A1 LYS 190 HD2 -0.13 0.13 -0.24 -0.04 1.69 1.42 2ok7A1 LYS 190 HD3 0.00 -0.22 0.05 -0.04 1.68 1.47 2ok7A1 LYS 190 HE2 -0.23 -0.06 -0.05 -0.04 2.99 2.61 2ok7A1 LYS 190 HE3 -0.34 -0.05 -0.06 -0.04 2.99 2.50 2ok7A1 LYS 191 H -0.00 0.44 -0.24 -0.55 8.42 8.06 2ok7A1 LYS 191 HA 0.03 0.02 0.64 -0.75 4.32 4.26 2ok7A1 LYS 191 HB2 0.01 -0.04 0.18 -0.04 1.87 1.98 2ok7A1 LYS 191 HB3 -0.08 0.12 0.17 -0.04 1.79 1.96 2ok7A1 LYS 191 HG2 -0.04 0.05 -0.01 -0.04 1.46 1.42 2ok7A1 LYS 191 HG3 -0.01 -0.11 0.10 -0.04 1.46 1.40 2ok7A1 LYS 191 HD2 -0.04 -0.08 0.06 -0.04 1.69 1.59 2ok7A1 LYS 191 HD3 -0.10 0.05 -0.01 -0.04 1.68 1.57 2ok7A1 LYS 191 HE2 -0.04 0.02 0.00 -0.04 2.99 2.93 2ok7A1 LYS 191 HE3 -0.02 -0.03 0.04 -0.04 2.99 2.94 2ok7A1 LEU 192 H -0.20 0.59 0.01 -0.55 8.37 8.22 2ok7A1 LEU 192 HA -0.31 -0.00 0.31 -0.75 4.35 3.59 2ok7A1 LEU 192 HB2 -0.68 0.03 0.07 -0.04 1.64 1.01 2ok7A1 LEU 192 HB3 -1.24 0.02 -0.04 -0.04 1.64 0.34 2ok7A1 LEU 192 HG -0.43 0.02 0.03 -0.04 1.64 1.22 2ok7A1 LEU 192 HD13 -0.76 -0.00 -0.16 -0.04 0.93 -0.03 2ok7A1 LEU 192 HD23 -0.57 -0.02 -0.08 -0.04 0.89 0.18 2ok7A1 PHE 193 H -0.01 0.44 -0.23 -0.55 8.34 7.99 2ok7A1 PHE 193 HA -0.08 0.14 0.75 -0.75 4.62 4.67 2ok7A1 PHE 193 HB2 0.21 0.07 0.01 -0.04 3.15 3.40 2ok7A1 PHE 193 HB3 -0.06 0.02 0.07 -0.04 3.06 3.04 2ok7A1 PHE 193 HD2 -0.79 0.07 0.01 -0.04 7.28 6.53 2ok7A1 PHE 193 HE2 -0.21 0.01 -0.08 -0.04 7.38 7.07 2ok7A1 PHE 193 HZ 0.06 0.09 -0.17 -0.04 7.32 7.25 2ok7A1 ALA 194 H 0.10 0.21 -0.64 -0.55 8.40 7.52 2ok7A1 ALA 194 HA 0.14 0.05 0.31 -0.75 4.34 4.08 2ok7A1 ALA 194 HB3 0.11 0.01 -0.04 -0.04 1.41 1.45 2ok7A1 TYR 195 H 0.35 0.45 0.07 -0.55 8.29 8.61 2ok7A1 TYR 195 HA 0.21 0.14 0.35 -0.75 4.56 4.51 2ok7A1 TYR 195 HB2 0.45 0.06 -0.01 -0.04 3.06 3.52 2ok7A1 TYR 195 HB3 0.18 -0.09 0.11 -0.04 2.98 3.14 2ok7A1 TYR 195 HD2 0.01 0.03 -0.18 -0.04 7.15 6.97 2ok7A1 TYR 195 HE2 -0.43 -0.02 -0.10 -0.04 6.85 6.25 2ok7A1 ASP 196 H -0.39 0.36 0.07 -0.55 8.40 7.89 2ok7A1 ASP 196 HA -0.13 0.06 0.67 -0.75 4.63 4.47 2ok7A1 ASP 196 HB2 -0.05 0.20 -0.17 -0.04 2.71 2.65 2ok7A1 ASP 196 HB3 -0.16 0.07 0.01 -0.04 2.70 2.58 2ok7A1 LYS 197 H -0.21 0.19 0.05 -0.55 8.42 7.89 2ok7A1 LYS 197 HA -0.48 0.13 0.44 -0.75 4.32 3.66 2ok7A1 LYS 197 HB2 -0.02 0.01 0.07 -0.04 1.87 1.89 2ok7A1 LYS 197 HB3 -0.07 -0.00 0.05 -0.04 1.79 1.73 2ok7A1 LYS 197 HG2 -0.09 0.03 -0.05 -0.04 1.46 1.31 2ok7A1 LYS 197 HG3 -0.06 0.01 0.02 -0.04 1.46 1.38 2ok7A1 LYS 197 HD2 0.00 -0.00 -0.04 -0.04 1.69 1.61 2ok7A1 LYS 197 HD3 0.05 -0.01 -0.04 -0.04 1.68 1.64 2ok7A1 LYS 197 HE2 -0.01 -0.01 -0.06 -0.04 2.99 2.87 2ok7A1 LYS 197 HE3 -0.01 0.02 -0.07 -0.04 2.99 2.89 2ok7A1 ASN 198 H -0.14 0.06 -0.13 -0.55 8.53 7.78 2ok7A1 ASN 198 HA -0.11 0.16 0.58 -0.75 4.76 4.64 2ok7A1 ASN 198 HB2 -0.05 0.04 -0.01 -0.04 2.88 2.82 2ok7A1 ASN 198 HB3 -0.03 0.05 0.12 -0.04 2.79 2.89 2ok7A1 ASN 198 HD21 -0.01 -0.01 -0.00 -0.04 7.03 6.97 2ok7A1 ASN 198 HD22 -0.02 0.05 0.01 -0.04 7.74 7.74 2ok7A1 ASN 199 H -0.29 0.17 -0.68 -0.55 8.53 7.17 2ok7A1 ASN 199 HA -0.83 0.11 0.59 -0.75 4.76 3.88 2ok7A1 ASN 199 HB2 -0.11 -0.03 0.01 -0.04 2.88 2.71 2ok7A1 ASN 199 HB3 -0.09 0.06 0.16 -0.04 2.79 2.88 2ok7A1 ASN 199 HD21 0.02 0.01 -0.13 -0.04 7.03 6.89 2ok7A1 ASN 199 HD22 -0.04 -0.10 -0.24 -0.04 7.74 7.32 2ok7A1 LEU 200 H -0.63 0.15 -0.09 -0.55 8.37 7.26 2ok7A1 LEU 200 HA -0.26 0.16 0.41 -0.75 4.35 3.91 2ok7A1 LEU 200 HB2 -0.26 -0.05 0.03 -0.04 1.64 1.33 2ok7A1 LEU 200 HB3 -0.20 0.01 0.07 -0.04 1.64 1.48 2ok7A1 LEU 200 HG -0.48 0.08 0.15 -0.04 1.64 1.34 2ok7A1 LEU 200 HD13 -0.26 -0.03 0.04 -0.04 0.93 0.64 2ok7A1 LEU 200 HD23 -1.13 -0.03 -0.04 -0.04 0.89 -0.35 2ok7A1 TYR 201 H -1.04 -0.00 -0.31 -0.55 8.29 6.38 2ok7A1 TYR 201 HA 0.03 0.14 0.44 -0.75 4.56 4.41 2ok7A1 TYR 201 HB2 0.01 0.04 0.04 -0.04 3.06 3.11 2ok7A1 TYR 201 HB3 0.01 -0.01 0.03 -0.04 2.98 2.97 2ok7A1 TYR 201 HD2 0.00 0.04 -0.03 -0.04 7.15 7.12 2ok7A1 TYR 201 HE2 -0.01 0.01 0.01 -0.04 6.85 6.82 2ok7A1 ASN 204 HA 0.11 -0.07 0.13 -0.75 4.76 4.17 2ok7A1 ASN 204 HB2 0.11 0.05 0.09 -0.04 2.88 3.10 2ok7A1 ASN 204 HB3 0.10 -0.04 0.11 -0.04 2.79 2.92 2ok7A1 ASN 204 HD21 0.06 -0.05 -0.00 -0.04 7.03 7.00 2ok7A1 ASN 204 HD22 0.07 0.01 0.03 -0.04 7.74 7.81 2ok7A1 SER 205 H 0.23 0.22 0.10 -0.55 8.46 8.46 2ok7A1 SER 205 HA 0.12 0.03 0.59 -0.75 4.49 4.48 2ok7A1 SER 205 HB2 0.23 0.18 0.07 -0.04 3.95 4.39 2ok7A1 SER 205 HB3 0.30 0.00 0.15 -0.04 3.93 4.34 2ok7A1 ASN 206 H 0.06 0.15 0.22 -0.55 8.53 8.42 2ok7A1 ASN 206 HA 0.05 0.18 0.78 -0.75 4.76 5.01 2ok7A1 ASN 206 HB2 0.04 -0.03 0.07 -0.04 2.88 2.92 2ok7A1 ASN 206 HB3 0.03 -0.01 0.09 -0.04 2.79 2.86 2ok7A1 ASN 206 HD21 0.05 -0.00 -0.02 -0.04 7.03 7.01 2ok7A1 ASN 206 HD22 0.04 -0.01 0.07 -0.04 7.74 7.80 2ok7A1 TYR 207 H 0.06 0.12 0.06 -0.55 8.29 7.98 2ok7A1 TYR 207 HA -0.08 0.09 0.66 -0.75 4.56 4.47 2ok7A1 TYR 207 HB2 -0.21 -0.06 0.17 -0.04 3.06 2.92 2ok7A1 TYR 207 HB3 -0.44 0.14 0.14 -0.04 2.98 2.77 2ok7A1 TYR 207 HD2 -0.52 0.03 -0.06 -0.04 7.15 6.56 2ok7A1 TYR 207 HE2 -0.06 0.12 -0.18 -0.04 6.85 6.69 2ok7A1 THR 208 H -0.38 0.14 0.19 -0.55 8.28 7.68 2ok7A1 THR 208 HA -0.19 0.23 0.89 -0.75 4.39 4.57 2ok7A1 THR 208 HB -0.08 -0.02 0.20 -0.04 4.32 4.38 2ok7A1 THR 208 HG23 -0.01 0.01 -0.19 -0.04 1.22 0.99 2ok7A1 GLY 209 H -1.75 -0.03 -0.13 -0.55 8.43 5.98 2ok7A1 GLY 209 HA2 -0.20 0.17 0.64 -0.51 4.01 4.11 2ok7A1 GLY 209 HA3 -0.40 0.10 0.13 -0.51 4.01 3.34 2ok7A1 TYR 210 H 0.04 0.14 0.13 -0.55 8.29 8.06 2ok7A1 TYR 210 HA 0.01 0.40 1.04 -0.75 4.56 5.25 2ok7A1 TYR 210 HB2 -0.13 0.03 -0.04 -0.04 3.06 2.87 2ok7A1 TYR 210 HB3 -0.16 -0.09 0.03 -0.04 2.98 2.72 2ok7A1 TYR 210 HD2 -0.09 0.09 -0.16 -0.04 7.15 6.94 2ok7A1 TYR 210 HE2 -0.05 -0.02 -0.27 -0.04 6.85 6.47 2ok7A1 ILE 211 H -0.41 0.71 0.27 -0.55 8.25 8.28 2ok7A1 ILE 211 HA -0.14 0.20 1.01 -0.75 4.18 4.49 2ok7A1 ILE 211 HB -0.03 0.07 0.17 -0.04 1.89 2.06 2ok7A1 ILE 211 HG12 -0.01 -0.03 -0.10 -0.04 1.49 1.30 2ok7A1 ILE 211 HG13 0.27 0.03 -0.41 -0.04 1.21 1.05 2ok7A1 ILE 211 HG23 -0.23 -0.05 -0.22 -0.04 0.93 0.39 2ok7A1 ILE 211 HD13 0.06 -0.01 -0.14 -0.04 0.88 0.75 2ok7A1 THR 212 H -0.16 0.79 0.36 -0.55 8.28 8.72 2ok7A1 THR 212 HA -0.21 0.28 1.07 -0.75 4.39 4.77 2ok7A1 THR 212 HB 0.10 -0.06 0.20 -0.04 4.32 4.51 2ok7A1 THR 212 HG23 -0.10 -0.02 -0.10 -0.04 1.22 0.96 2ok7A1 ILE 213 H -0.22 0.77 0.38 -0.55 8.25 8.63 2ok7A1 ILE 213 HA 0.04 0.29 1.12 -0.75 4.18 4.88 2ok7A1 ILE 213 HB -0.11 -0.06 0.09 -0.04 1.89 1.78 2ok7A1 ILE 213 HG12 0.17 0.00 -0.11 -0.04 1.49 1.51 2ok7A1 ILE 213 HG13 -0.04 0.01 -0.32 -0.04 1.21 0.82 2ok7A1 ILE 213 HG23 0.05 -0.02 -0.24 -0.04 0.93 0.68 2ok7A1 ILE 213 HD13 0.06 -0.01 -0.15 -0.04 0.88 0.74 2ok7A1 TYR 214 H 0.33 0.68 0.39 -0.55 8.29 9.15 2ok7A1 TYR 214 HA 0.16 0.27 0.99 -0.75 4.56 5.23 2ok7A1 TYR 214 HB2 0.16 -0.05 0.21 -0.04 3.06 3.34 2ok7A1 TYR 214 HB3 0.13 -0.06 0.07 -0.04 2.98 3.08 2ok7A1 TYR 214 HD2 0.14 0.02 -0.09 -0.04 7.15 7.19 2ok7A1 TYR 214 HE2 0.10 0.03 -0.12 -0.04 6.85 6.82 2ok7A1 TYR 215 H 0.26 0.61 0.28 -0.55 8.29 8.88 2ok7A1 TYR 215 HA 0.22 0.28 1.09 -0.75 4.56 5.40 2ok7A1 TYR 215 HB2 0.14 0.05 -0.32 -0.04 3.06 2.89 2ok7A1 TYR 215 HB3 0.15 -0.00 -0.01 -0.04 2.98 3.08 2ok7A1 TYR 215 HD2 0.41 0.09 -0.19 -0.04 7.15 7.42 2ok7A1 TYR 215 HE2 0.24 -0.04 -0.17 -0.04 6.85 6.85 2ok7A1 GLY 216 H 0.31 0.65 0.41 -0.55 8.43 9.25 2ok7A1 GLY 216 HA2 0.08 0.32 1.01 -0.51 4.01 4.91 2ok7A1 GLY 216 HA3 0.15 -0.10 0.49 -0.51 4.01 4.04 2ok7A1 VAL 217 H 0.07 0.35 0.14 -0.55 8.24 8.24 2ok7A1 VAL 217 HA 0.08 0.08 0.62 -0.75 4.13 4.16 2ok7A1 VAL 217 HB 0.06 -0.14 0.04 -0.04 2.12 2.04 2ok7A1 VAL 217 HG13 -0.22 0.02 -0.04 -0.04 0.97 0.69 2ok7A1 VAL 217 HG23 0.02 0.02 -0.27 -0.04 0.95 0.68 2ok7A1 TYR 218 H 0.22 0.14 0.15 -0.55 8.29 8.25 2ok7A1 TYR 218 HA 0.13 0.03 0.54 -0.75 4.56 4.50 2ok7A1 TYR 218 HB2 0.04 0.02 0.17 -0.04 3.06 3.25 2ok7A1 TYR 218 HB3 -0.02 -0.06 0.20 -0.04 2.98 3.06 2ok7A1 TYR 218 HD2 -0.03 -0.01 -0.02 -0.04 7.15 7.05 2ok7A1 TYR 218 HE2 -0.22 0.06 -0.01 -0.04 6.85 6.64 2ok7A1 ASN 219 H 0.10 0.07 0.03 -0.55 8.53 8.19 2ok7A1 ASN 219 HA -0.49 0.26 0.63 -0.75 4.76 4.41 2ok7A1 ASN 219 HB2 -0.27 -0.08 0.18 -0.04 2.88 2.67 2ok7A1 ASN 219 HB3 -0.19 0.15 -0.07 -0.04 2.79 2.63 2ok7A1 ASN 219 HD21 0.04 0.72 0.14 -0.04 7.03 7.88 2ok7A1 ASN 219 HD22 -0.09 -0.00 0.01 -0.04 7.74 7.61 2ok7A1 GLU 220 H -0.63 0.25 0.12 -0.55 8.60 7.78 2ok7A1 GLU 220 HA -0.43 0.12 0.38 -0.75 4.29 3.61 2ok7A1 GLU 220 HB2 -0.41 0.05 0.15 -0.04 2.09 1.84 2ok7A1 GLU 220 HB3 -0.20 -0.01 0.09 -0.04 1.99 1.83 2ok7A1 GLU 220 HG2 -0.13 0.01 0.05 -0.04 2.34 2.23 2ok7A1 GLU 220 HG3 -0.10 0.07 0.02 -0.04 2.34 2.29 2ok7A1 ASP 221 H -0.15 0.11 -0.15 -0.55 8.40 7.66 2ok7A1 ASP 221 HA -0.07 0.16 0.34 -0.75 4.63 4.31 2ok7A1 ASP 221 HB2 -0.07 0.06 -0.23 -0.04 2.71 2.43 2ok7A1 ASP 221 HB3 -0.06 0.16 -0.08 -0.04 2.70 2.67 2ok7A1 SER 222 H -0.06 0.22 -0.67 -0.55 8.46 7.40 2ok7A1 SER 222 HA -0.01 0.19 0.73 -0.75 4.49 4.64 2ok7A1 SER 222 HB2 0.07 -0.07 0.08 -0.04 3.95 3.99 2ok7A1 SER 222 HB3 0.05 -0.03 0.16 -0.04 3.93 4.08 2ok7A1 ILE 223 H -0.01 0.40 -0.18 -0.55 8.25 7.91 2ok7A1 ILE 223 HA 0.15 -0.03 0.48 -0.75 4.18 4.02 2ok7A1 ILE 223 HB 0.01 0.08 0.12 -0.04 1.89 2.06 2ok7A1 ILE 223 HG12 -0.04 -0.03 -0.07 -0.04 1.49 1.31 2ok7A1 ILE 223 HG13 0.02 0.01 0.04 -0.04 1.21 1.24 2ok7A1 ILE 223 HG23 0.36 -0.02 -0.29 -0.04 0.93 0.95 2ok7A1 ILE 223 HD13 -0.47 0.01 0.00 -0.04 0.88 0.38 2ok7A1 LEU 224 H 0.41 0.13 0.13 -0.55 8.37 8.50 2ok7A1 LEU 224 HA -0.00 0.16 0.61 -0.75 4.35 4.36 2ok7A1 LEU 224 HB2 0.28 0.02 0.02 -0.04 1.64 1.91 2ok7A1 LEU 224 HB3 -0.05 -0.03 -0.05 -0.04 1.64 1.47 2ok7A1 LEU 224 HG 0.17 0.12 -0.02 -0.04 1.64 1.87 2ok7A1 LEU 224 HD13 0.12 0.01 -0.21 -0.04 0.93 0.82 2ok7A1 LEU 224 HD23 -0.03 0.00 -0.24 -0.04 0.89 0.58 2ok7A1 TYR 225 H -0.26 0.19 0.11 -0.55 8.29 7.78 2ok7A1 TYR 225 HA 0.01 0.01 0.30 -0.75 4.56 4.13 2ok7A1 TYR 225 HB2 0.05 0.20 0.04 -0.04 3.06 3.31 2ok7A1 TYR 225 HB3 0.02 -0.07 0.15 -0.04 2.98 3.04 2ok7A1 TYR 225 HD2 -0.01 -0.00 -0.20 -0.04 7.15 6.90 2ok7A1 TYR 225 HE2 0.04 0.00 -0.09 -0.04 6.85 6.76 2ok7A1 LEU 226 H 0.07 0.27 -0.15 -0.55 8.37 8.01 2ok7A1 LEU 226 HA 0.18 0.10 0.26 -0.75 4.35 4.14 2ok7A1 LEU 226 HB2 0.06 0.17 -0.01 -0.04 1.64 1.82 2ok7A1 LEU 226 HB3 0.04 -0.02 0.05 -0.04 1.64 1.66 2ok7A1 LEU 226 HG 0.06 -0.01 -0.22 -0.04 1.64 1.44 2ok7A1 LEU 226 HD13 0.03 0.00 -0.03 -0.04 0.93 0.89 2ok7A1 LEU 226 HD23 0.00 0.01 -0.06 -0.04 0.89 0.80 2ok7A1 ASN 227 H 0.05 0.09 -0.14 -0.55 8.53 7.98 2ok7A1 ASN 227 HA 0.05 0.12 0.40 -0.75 4.76 4.58 2ok7A1 ASN 227 HB2 0.03 -0.09 0.02 -0.04 2.88 2.80 2ok7A1 ASN 227 HB3 0.02 0.08 -0.07 -0.04 2.79 2.78 2ok7A1 ASN 227 HD21 -0.02 0.05 -0.02 -0.04 7.03 7.00 2ok7A1 ASN 227 HD22 -0.02 -0.00 -0.02 -0.04 7.74 7.65 2ok7A1 GLU 228 H 0.11 0.03 -0.33 -0.55 8.60 7.86 2ok7A1 GLU 228 HA -0.08 0.10 0.38 -0.75 4.29 3.94 2ok7A1 GLU 228 HB2 0.11 0.03 0.09 -0.04 2.09 2.28 2ok7A1 GLU 228 HB3 0.02 0.07 -0.05 -0.04 1.99 1.99 2ok7A1 GLU 228 HG2 -0.26 0.06 -0.04 -0.04 2.34 2.06 2ok7A1 GLU 228 HG3 -0.30 0.04 -0.06 -0.04 2.34 1.98 2ok7A1 LEU 229 H 0.20 0.64 -0.03 -0.55 8.37 8.63 2ok7A1 LEU 229 HA 0.33 0.03 0.34 -0.75 4.35 4.29 2ok7A1 LEU 229 HB2 0.28 0.04 0.03 -0.04 1.64 1.94 2ok7A1 LEU 229 HB3 0.28 -0.02 -0.09 -0.04 1.64 1.78 2ok7A1 LEU 229 HG 0.21 0.03 -0.02 -0.04 1.64 1.82 2ok7A1 LEU 229 HD13 0.28 -0.02 -0.17 -0.04 0.93 0.99 2ok7A1 LEU 229 HD23 0.13 -0.01 -0.11 -0.04 0.89 0.86 2ok7A1 GLU 230 H 0.15 0.55 -0.29 -0.55 8.60 8.45 2ok7A1 GLU 230 HA 0.12 0.07 0.59 -0.75 4.29 4.32 2ok7A1 GLU 230 HB2 0.09 0.10 0.07 -0.04 2.09 2.32 2ok7A1 GLU 230 HB3 0.08 -0.02 -0.00 -0.04 1.99 2.00 2ok7A1 GLU 230 HG2 0.14 -0.01 -0.01 -0.04 2.34 2.41 2ok7A1 GLU 230 HG3 0.14 0.03 -0.01 -0.04 2.34 2.46 2ok7A1 TYR 231 H 0.13 0.36 -0.20 -0.55 8.29 8.03 2ok7A1 TYR 231 HA -0.07 0.04 0.56 -0.75 4.56 4.33 2ok7A1 TYR 231 HB2 -0.08 0.00 0.13 -0.04 3.06 3.07 2ok7A1 TYR 231 HB3 -0.28 0.14 0.21 -0.04 2.98 3.00 2ok7A1 TYR 231 HD2 -0.50 -0.02 -0.07 -0.04 7.15 6.52 2ok7A1 TYR 231 HE2 -0.03 0.04 -0.05 -0.04 6.85 6.78 2ok7A1 PHE 232 H 0.01 0.45 -0.10 -0.55 8.34 8.14 2ok7A1 PHE 232 HA -0.11 0.08 0.38 -0.75 4.62 4.21 2ok7A1 PHE 232 HB2 0.01 0.02 0.01 -0.04 3.15 3.15 2ok7A1 PHE 232 HB3 -0.15 0.04 -0.07 -0.04 3.06 2.83 2ok7A1 PHE 232 HD2 0.02 0.00 -0.15 -0.04 7.28 7.11 2ok7A1 PHE 232 HE2 0.18 -0.01 -0.16 -0.04 7.38 7.35 2ok7A1 PHE 232 HZ 0.04 -0.08 -0.28 -0.04 7.32 6.97 2ok7A1 GLN 233 H 0.10 0.31 -0.30 -0.55 8.47 8.03 2ok7A1 GLN 233 HA 0.00 0.10 0.41 -0.75 4.36 4.12 2ok7A1 GLN 233 HB2 0.05 0.06 0.13 -0.04 2.15 2.36 2ok7A1 GLN 233 HB3 0.02 -0.02 -0.05 -0.04 2.02 1.93 2ok7A1 GLN 233 HG2 0.00 0.00 -0.00 -0.04 2.40 2.36 2ok7A1 GLN 233 HG3 0.06 0.07 0.02 -0.04 2.39 2.49 2ok7A1 GLN 233 HE21 0.27 -0.10 -0.09 -0.04 6.97 7.02 2ok7A1 GLN 233 HE22 0.18 0.20 -0.22 -0.04 7.69 7.80 2ok7A1 LYS 234 H -0.08 0.33 -0.30 -0.55 8.42 7.82 2ok7A1 LYS 234 HA -0.07 0.01 0.41 -0.75 4.32 3.91 2ok7A1 LYS 234 HB2 -0.04 -0.05 0.12 -0.04 1.87 1.86 2ok7A1 LYS 234 HB3 -0.15 0.08 0.25 -0.04 1.79 1.93 2ok7A1 LYS 234 HG2 -0.15 0.06 -0.25 -0.04 1.46 1.09 2ok7A1 LYS 234 HG3 -0.06 -0.07 0.01 -0.04 1.46 1.30 2ok7A1 LYS 234 HD2 -0.00 -0.06 -0.01 -0.04 1.69 1.57 2ok7A1 LYS 234 HD3 -0.05 0.01 0.02 -0.04 1.68 1.62 2ok7A1 LYS 234 HE2 0.03 -0.05 -0.03 -0.04 2.99 2.90 2ok7A1 LYS 234 HE3 -0.05 0.05 -0.05 -0.04 2.99 2.91 2ok7A1 MET 235 H -0.42 0.64 0.02 -0.55 8.47 8.16 2ok7A1 MET 235 HA -0.41 0.06 0.49 -0.75 4.52 3.91 2ok7A1 MET 235 HB2 -1.02 0.08 0.08 -0.04 2.15 1.24 2ok7A1 MET 235 HB3 -1.22 0.01 -0.02 -0.04 2.03 0.76 2ok7A1 MET 235 HG2 -0.55 -0.10 -0.01 -0.04 2.63 1.92 2ok7A1 MET 235 HG3 -1.15 -0.02 0.02 -0.04 2.56 1.37 2ok7A1 MET 235 HE3 -0.01 0.00 0.04 -0.04 2.10 2.10 2ok7A1 TYR 236 H -0.19 0.41 -0.27 -0.55 8.29 7.69 2ok7A1 TYR 236 HA -0.05 0.17 0.83 -0.75 4.56 4.75 2ok7A1 TYR 236 HB2 -0.40 0.04 0.17 -0.04 3.06 2.83 2ok7A1 TYR 236 HB3 -0.07 -0.07 0.14 -0.04 2.98 2.93 2ok7A1 TYR 236 HD2 -0.11 -0.03 0.00 -0.04 7.15 6.97 2ok7A1 TYR 236 HE2 0.19 -0.03 -0.04 -0.04 6.85 6.93 2ok7A1 PRO 237 HA 0.01 0.17 0.42 -0.51 4.44 4.53 2ok7A1 PRO 237 HB2 0.02 -0.07 0.08 -0.04 2.28 2.26 2ok7A1 PRO 237 HB3 -0.01 0.18 0.16 -0.04 2.02 2.31 2ok7A1 PRO 237 HG2 0.01 -0.05 -0.00 -0.04 2.03 1.95 2ok7A1 PRO 237 HG3 -0.03 0.05 0.05 -0.04 2.03 2.06 2ok7A1 PRO 237 HD2 -0.01 0.06 0.01 -0.04 3.68 3.70 2ok7A1 PRO 237 HD3 -0.09 0.27 -0.35 -0.04 3.65 3.43 2ok7A1 ASN 238 H 0.09 0.11 -0.30 -0.55 8.53 7.88 2ok7A1 ASN 238 HA 0.15 0.18 0.85 -0.75 4.76 5.18 2ok7A1 ASN 238 HB2 0.09 0.03 0.00 -0.04 2.88 2.97 2ok7A1 ASN 238 HB3 0.08 0.01 0.11 -0.04 2.79 2.95 2ok7A1 ASN 238 HD21 0.03 -0.04 -0.02 -0.04 7.03 6.96 2ok7A1 ASN 238 HD22 0.04 0.02 -0.00 -0.04 7.74 7.76 2ok7A1 ASN 239 H 0.12 0.28 -0.15 -0.55 8.53 8.23 2ok7A1 ASN 239 HA 0.19 0.29 0.94 -0.75 4.76 5.43 2ok7A1 ASN 239 HB2 0.26 -0.00 0.05 -0.04 2.88 3.15 2ok7A1 ASN 239 HB3 0.36 -0.00 0.05 -0.04 2.79 3.16 2ok7A1 ASN 239 HD21 0.03 -0.07 -0.09 -0.04 7.03 6.86 2ok7A1 ASN 239 HD22 0.02 0.49 -0.16 -0.04 7.74 8.05 2ok7A1 ILE 240 H -0.05 0.28 0.05 -0.55 8.25 7.99 2ok7A1 ILE 240 HA -0.37 0.22 0.95 -0.75 4.18 4.23 2ok7A1 ILE 240 HB -0.05 0.00 -0.21 -0.04 1.89 1.59 2ok7A1 ILE 240 HG12 -0.14 -0.01 -0.10 -0.04 1.49 1.21 2ok7A1 ILE 240 HG13 -0.06 -0.01 -0.02 -0.04 1.21 1.07 2ok7A1 ILE 240 HG23 -0.03 0.03 -0.25 -0.04 0.93 0.64 2ok7A1 ILE 240 HD13 -0.01 -0.04 -0.17 -0.04 0.88 0.62 2ok7A1 ASN 241 H -0.37 0.69 0.35 -0.55 8.53 8.65 2ok7A1 ASN 241 HA -0.17 0.12 0.52 -0.75 4.76 4.48 2ok7A1 ASN 241 HB2 -0.01 0.11 -0.07 -0.04 2.88 2.86 2ok7A1 ASN 241 HB3 -0.16 -0.07 0.07 -0.04 2.79 2.60 2ok7A1 ASN 241 HD21 -0.05 -0.03 -0.07 -0.04 7.03 6.84 2ok7A1 ASN 241 HD22 0.03 -0.02 -0.09 -0.04 7.74 7.61 2ok7A1 ILE 242 H -0.28 0.24 0.10 -0.55 8.25 7.77 2ok7A1 ILE 242 HA -0.37 0.29 1.14 -0.75 4.18 4.48 2ok7A1 ILE 242 HB -0.19 0.02 -0.13 -0.04 1.89 1.55 2ok7A1 ILE 242 HG12 -1.09 -0.08 -0.32 -0.04 1.49 -0.04 2ok7A1 ILE 242 HG13 -0.40 0.13 -0.24 -0.04 1.21 0.66 2ok7A1 ILE 242 HG23 -0.13 0.00 -0.05 -0.04 0.93 0.71 2ok7A1 ILE 242 HD13 -0.09 -0.02 -0.16 -0.04 0.88 0.56 2ok7A1 HIS 243 H -0.34 0.77 0.34 -0.55 8.41 8.64 2ok7A1 HIS 243 HA -0.11 0.13 0.90 -0.75 4.63 4.80 2ok7A1 HIS 243 HB2 -0.09 -0.08 0.18 -0.04 3.26 3.24 2ok7A1 HIS 243 HB3 0.02 0.02 0.01 -0.04 3.20 3.20 2ok7A1 HIS 243 HD2 -0.98 0.02 -0.13 -0.04 6.97 5.84 2ok7A1 HIS 243 HE1 0.00 0.02 -0.08 -0.04 7.75 7.65 2ok7A1 TYR 244 H 0.01 0.21 0.12 -0.55 8.29 8.08 2ok7A1 TYR 244 HA -0.01 0.22 0.89 -0.75 4.56 4.91 2ok7A1 TYR 244 HB2 -0.39 0.01 0.09 -0.04 3.06 2.73 2ok7A1 TYR 244 HB3 -0.67 -0.05 -0.06 -0.04 2.98 2.15 2ok7A1 TYR 244 HD2 0.12 0.02 -0.04 -0.04 7.15 7.21 2ok7A1 TYR 244 HE2 0.32 0.02 -0.11 -0.04 6.85 7.04 2ok7A1 VAL 245 H -0.01 0.66 0.23 -0.55 8.24 8.58 2ok7A1 VAL 245 HA -0.06 0.21 0.85 -0.75 4.13 4.37 2ok7A1 VAL 245 HB 0.13 -0.16 0.03 -0.04 2.12 2.08 2ok7A1 VAL 245 HG13 0.23 0.03 -0.37 -0.04 0.97 0.82 2ok7A1 VAL 245 HG23 0.17 0.02 -0.26 -0.04 0.95 0.84 2ok7A1 PHE 246 H -0.18 0.21 0.04 -0.55 8.34 7.85 2ok7A1 PHE 246 HA 0.04 0.22 0.57 -0.75 4.62 4.70 2ok7A1 PHE 246 HB2 0.00 0.10 0.13 -0.04 3.15 3.34 2ok7A1 PHE 246 HB3 -0.02 0.12 0.13 -0.04 3.06 3.25 2ok7A1 PHE 246 HD2 0.01 0.06 -0.22 -0.04 7.28 7.09 2ok7A1 PHE 246 HE2 -0.08 0.04 -0.15 -0.04 7.38 7.16 2ok7A1 PHE 246 HZ -0.20 0.05 -0.08 -0.04 7.32 7.05 2ok7A1 SER 247 H 0.17 0.38 0.43 -0.55 8.46 8.89 2ok7A1 SER 247 HA 0.04 0.19 0.51 -0.75 4.49 4.47 2ok7A1 SER 247 HB2 0.13 -0.05 0.09 -0.04 3.95 4.08 2ok7A1 SER 247 HB3 0.25 -0.04 0.06 -0.04 3.93 4.16 2ok7A1 TYR 248 H -0.11 0.47 0.07 -0.55 8.29 8.16 2ok7A1 TYR 248 HA -0.33 -0.01 0.66 -0.75 4.56 4.13 2ok7A1 TYR 248 HB2 -1.17 -0.04 0.06 -0.04 3.06 1.87 2ok7A1 TYR 248 HB3 -0.34 0.01 0.11 -0.04 2.98 2.72 2ok7A1 TYR 248 HD2 -0.17 0.02 0.03 -0.04 7.15 6.98 2ok7A1 TYR 248 HE2 0.00 0.04 -0.00 -0.04 6.85 6.85 2ok7A1 LYS 249 H -0.29 0.08 0.17 -0.55 8.42 7.83 2ok7A1 LYS 249 HA -0.16 0.18 0.26 -0.75 4.32 3.85 2ok7A1 LYS 249 HB2 -0.20 -0.16 0.04 -0.04 1.87 1.51 2ok7A1 LYS 249 HB3 -0.15 0.25 -0.01 -0.04 1.79 1.84 2ok7A1 LYS 249 HG2 -0.08 0.05 -0.05 -0.04 1.46 1.34 2ok7A1 LYS 249 HG3 -0.09 0.07 -0.02 -0.04 1.46 1.38 2ok7A1 LYS 249 HD2 -0.04 -0.04 -0.06 -0.04 1.69 1.51 2ok7A1 LYS 249 HD3 -0.04 -0.11 0.07 -0.04 1.68 1.56 2ok7A1 LYS 249 HE2 -0.05 0.11 0.05 -0.04 2.99 3.05 2ok7A1 LYS 249 HE3 -0.02 0.00 0.06 -0.04 2.99 2.99 2ok7A1 GLN 250 H -1.05 -0.01 -0.18 -0.55 8.47 6.68 2ok7A1 GLN 250 HA -0.53 -0.04 0.20 -0.75 4.36 3.24 2ok7A1 GLN 250 HB2 -0.17 0.21 -0.12 -0.04 2.15 2.03 2ok7A1 GLN 250 HB3 -0.13 -0.01 0.19 -0.04 2.02 2.03 2ok7A1 GLN 250 HG2 -0.05 -0.03 0.01 -0.04 2.40 2.29 2ok7A1 GLN 250 HG3 -0.37 -0.07 -0.14 -0.04 2.39 1.77 2ok7A1 GLN 250 HE21 -0.00 -0.06 -0.00 -0.04 6.97 6.86 2ok7A1 GLN 250 HE22 0.02 0.05 -0.06 -0.04 7.69 7.65 2ok7A1 ASN 251 H -0.24 0.03 -0.59 -0.55 8.53 7.18 2ok7A1 ASN 251 HA -0.08 0.01 0.51 -0.75 4.76 4.44 2ok7A1 ASN 251 HB2 -0.09 0.16 -0.32 -0.04 2.88 2.59 2ok7A1 ASN 251 HB3 -0.10 0.10 -0.13 -0.04 2.79 2.62 2ok7A1 ASN 251 HD21 -0.04 -0.02 0.00 -0.04 7.03 6.93 2ok7A1 ASN 251 HD22 -0.05 0.07 0.03 -0.04 7.74 7.74 2ok7A1 SER 252 H -0.06 0.16 0.07 -0.55 8.46 8.09 2ok7A1 SER 252 HA -0.05 0.05 0.35 -0.75 4.49 4.08 2ok7A1 SER 252 HB2 -0.01 0.05 0.05 -0.04 3.95 4.00 2ok7A1 SER 252 HB3 -0.01 -0.01 0.10 -0.04 3.93 3.97 2ok7A1 ASP 253 H -0.04 0.03 -0.23 -0.55 8.40 7.62 2ok7A1 ASP 253 HA -0.02 0.09 0.49 -0.75 4.63 4.43 2ok7A1 ASP 253 HB2 -0.03 -0.02 0.12 -0.04 2.71 2.74 2ok7A1 ASP 253 HB3 -0.02 0.03 0.13 -0.04 2.70 2.80 2ok7A1 ALA 254 H -0.03 0.67 0.29 -0.55 8.40 8.78 2ok7A1 ALA 254 HA -0.03 0.01 0.58 -0.75 4.34 4.15 2ok7A1 ALA 254 HB3 -0.06 0.03 -0.06 -0.04 1.41 1.28 2ok7A1 THR 255 H -0.01 0.10 0.10 -0.55 8.28 7.92 2ok7A1 THR 255 HA -0.01 0.15 0.79 -0.75 4.39 4.56 2ok7A1 THR 255 HB -0.00 -0.09 0.18 -0.04 4.32 4.37 2ok7A1 THR 255 HG23 -0.00 0.00 -0.01 -0.04 1.22 1.17 2ok7A1 SER 256 H -0.03 0.08 0.14 -0.55 8.46 8.10 2ok7A1 SER 256 HA -0.20 0.11 0.51 -0.75 4.49 4.16 2ok7A1 SER 256 HB2 -0.03 -0.01 0.15 -0.04 3.95 4.01 2ok7A1 SER 256 HB3 -0.34 -0.07 -0.03 -0.04 3.93 3.45 2ok7A1 PHE 257 H -0.26 0.27 0.08 -0.55 8.34 7.87 2ok7A1 PHE 257 HA -0.12 0.06 0.72 -0.75 4.62 4.52 2ok7A1 PHE 257 HB2 -0.09 0.08 -0.14 -0.04 3.15 2.96 2ok7A1 PHE 257 HB3 -0.11 0.07 0.12 -0.04 3.06 3.11 2ok7A1 PHE 257 HD2 -0.03 0.01 -0.15 -0.04 7.28 7.07 2ok7A1 PHE 257 HE2 0.01 0.00 -0.13 -0.04 7.38 7.22 2ok7A1 PHE 257 HZ 0.01 0.04 -0.23 -0.04 7.32 7.09 2ok7A1 TYR 258 H -0.21 0.09 0.00 -0.55 8.29 7.62 2ok7A1 TYR 258 HA 0.01 0.32 0.73 -0.75 4.56 4.87 2ok7A1 TYR 258 HB2 -0.11 -0.02 0.02 -0.04 3.06 2.91 2ok7A1 TYR 258 HB3 -0.05 -0.13 0.13 -0.04 2.98 2.89 2ok7A1 TYR 258 HD2 -0.03 0.03 -0.04 -0.04 7.15 7.07 2ok7A1 TYR 258 HE2 -0.01 0.04 -0.03 -0.04 6.85 6.80 2ok7A1 VAL 259 H 0.16 0.17 0.11 -0.55 8.24 8.13 2ok7A1 VAL 259 HA 0.07 0.14 0.26 -0.75 4.13 3.84 2ok7A1 VAL 259 HB 0.15 0.00 0.12 -0.04 2.12 2.35 2ok7A1 VAL 259 HG13 0.09 0.01 -0.12 -0.04 0.97 0.90 2ok7A1 VAL 259 HG23 0.19 0.06 -0.13 -0.04 0.95 1.03 2ok7A1 GLN 260 H -0.03 0.02 -0.36 -0.55 8.47 7.56 2ok7A1 GLN 260 HA -0.13 0.15 0.34 -0.75 4.36 3.96 2ok7A1 GLN 260 HB2 -0.08 -0.03 -0.07 -0.04 2.15 1.93 2ok7A1 GLN 260 HB3 -0.09 0.07 -0.08 -0.04 2.02 1.88 2ok7A1 GLN 260 HG2 -0.03 0.14 -0.08 -0.04 2.40 2.38 2ok7A1 GLN 260 HG3 -0.04 0.00 -0.05 -0.04 2.39 2.26 2ok7A1 GLN 260 HE21 -0.07 -0.03 -0.13 -0.04 6.97 6.70 2ok7A1 GLN 260 HE22 -0.03 0.15 -0.17 -0.04 7.69 7.60 2ok7A1 ASP 261 H -0.29 0.25 -0.25 -0.55 8.40 7.57 2ok7A1 ASP 261 HA -0.18 0.11 0.39 -0.75 4.63 4.19 2ok7A1 ASP 261 HB2 -1.54 0.12 0.02 -0.04 2.71 1.27 2ok7A1 ASP 261 HB3 -0.60 0.08 0.05 -0.04 2.70 2.19 2ok7A1 GLU 262 H -0.25 0.22 -0.30 -0.55 8.60 7.72 2ok7A1 GLU 262 HA 0.19 0.12 0.56 -0.75 4.29 4.40 2ok7A1 GLU 262 HB2 0.09 0.01 0.01 -0.04 2.09 2.16 2ok7A1 GLU 262 HB3 0.13 0.05 -0.15 -0.04 1.99 1.99 2ok7A1 GLU 262 HG2 0.67 -0.00 -0.09 -0.04 2.34 2.87 2ok7A1 GLU 262 HG3 0.25 0.02 -0.11 -0.04 2.34 2.45 2ok7A1 ILE 263 H -0.21 0.30 -0.21 -0.55 8.25 7.59 2ok7A1 ILE 263 HA -0.38 0.08 0.41 -0.75 4.18 3.54 2ok7A1 ILE 263 HB -0.37 0.14 0.05 -0.04 1.89 1.68 2ok7A1 ILE 263 HG12 -0.52 0.02 0.07 -0.04 1.49 1.02 2ok7A1 ILE 263 HG13 -0.44 -0.08 -0.01 -0.04 1.21 0.64 2ok7A1 ILE 263 HG23 -1.18 0.00 -0.10 -0.04 0.93 -0.38 2ok7A1 ILE 263 HD13 -1.29 0.00 -0.04 -0.04 0.88 -0.49 2ok7A1 TYR 264 H -0.04 0.31 -0.28 -0.55 8.29 7.74 2ok7A1 TYR 264 HA -0.09 0.11 0.57 -0.75 4.56 4.39 2ok7A1 TYR 264 HB2 -0.12 0.01 0.04 -0.04 3.06 2.95 2ok7A1 TYR 264 HB3 -0.09 0.04 0.01 -0.04 2.98 2.90 2ok7A1 TYR 264 HD2 -0.05 0.02 -0.07 -0.04 7.15 7.01 2ok7A1 TYR 264 HE2 -0.01 0.02 -0.02 -0.04 6.85 6.80 2ok7A1 LYS 265 H 0.04 0.31 -0.31 -0.55 8.42 7.90 2ok7A1 LYS 265 HA 0.05 0.04 0.61 -0.75 4.32 4.28 2ok7A1 LYS 265 HB2 0.23 0.09 0.17 -0.04 1.87 2.32 2ok7A1 LYS 265 HB3 0.12 0.08 0.10 -0.04 1.79 2.05 2ok7A1 LYS 265 HG2 0.06 -0.02 0.04 -0.04 1.46 1.51 2ok7A1 LYS 265 HG3 0.12 -0.02 0.07 -0.04 1.46 1.58 2ok7A1 LYS 265 HD2 0.21 -0.02 -0.01 -0.04 1.69 1.82 2ok7A1 LYS 265 HD3 0.07 -0.00 -0.02 -0.04 1.68 1.69 2ok7A1 LYS 265 HE2 -0.02 -0.00 -0.01 -0.04 2.99 2.91 2ok7A1 LYS 265 HE3 0.03 -0.01 0.01 -0.04 2.99 2.98 2ok7A1 ARG 266 H -0.03 0.41 -0.39 -0.55 8.46 7.90 2ok7A1 ARG 266 HA 0.01 0.11 0.75 -0.75 4.34 4.46 2ok7A1 ARG 266 HB2 0.04 0.04 0.12 -0.04 1.90 2.06 2ok7A1 ARG 266 HB3 0.08 -0.12 0.12 -0.04 1.80 1.84 2ok7A1 ARG 266 HG2 0.02 0.01 -0.12 -0.04 1.67 1.54 2ok7A1 ARG 266 HG3 0.03 0.12 -0.08 -0.04 1.67 1.69 2ok7A1 ARG 266 HD2 0.04 -0.02 -0.10 -0.04 3.22 3.10 2ok7A1 ARG 266 HD3 -0.04 -0.01 -0.06 -0.04 3.22 3.07 2ok7A1 LYS 267 H -0.12 0.31 -0.55 -0.55 8.42 7.50 2ok7A1 LYS 267 HA -0.12 0.18 0.33 -0.75 4.32 3.95 2ok7A1 LYS 267 HB2 -0.19 -0.00 0.11 -0.04 1.87 1.74 2ok7A1 LYS 267 HB3 -0.14 -0.01 -0.01 -0.04 1.79 1.59 2ok7A1 LYS 267 HG2 -0.49 -0.03 0.06 -0.04 1.46 0.96 2ok7A1 LYS 267 HG3 -0.84 0.19 0.15 -0.04 1.46 0.92 2ok7A1 LYS 267 HD2 -1.20 0.01 0.06 -0.04 1.69 0.51 2ok7A1 LYS 267 HD3 -0.34 -0.03 0.05 -0.04 1.68 1.32 2ok7A1 LYS 267 HE2 -0.14 -0.02 0.00 -0.04 2.99 2.78 2ok7A1 LYS 267 HE3 -0.24 0.02 0.01 -0.04 2.99 2.74 2ok7A1 THR 268 H -0.02 0.14 -0.04 -0.55 8.28 7.81 2ok7A1 THR 268 HA 0.04 0.11 0.36 -0.75 4.39 4.14 2ok7A1 THR 268 HB 0.02 0.02 0.02 -0.04 4.32 4.33 2ok7A1 THR 268 HG23 0.02 0.01 -0.01 -0.04 1.22 1.21 2ok7A1 GLU 269 H 0.06 0.09 -0.23 -0.55 8.60 7.97 2ok7A1 GLU 269 HA 0.09 0.05 0.33 -0.75 4.29 4.01 2ok7A1 GLU 269 HB2 0.12 0.11 0.02 -0.04 2.09 2.31 2ok7A1 GLU 269 HB3 0.11 0.04 0.00 -0.04 1.99 2.10 2ok7A1 GLU 269 HG2 0.06 0.04 -0.00 -0.04 2.34 2.39 2ok7A1 GLU 269 HG3 0.05 -0.13 0.02 -0.04 2.34 2.23 2ok7A1 PHE 270 H 0.24 0.55 -0.20 -0.55 8.34 8.38 2ok7A1 PHE 270 HA 0.14 0.02 0.52 -0.75 4.62 4.55 2ok7A1 PHE 270 HB2 -0.01 0.03 0.10 -0.04 3.15 3.23 2ok7A1 PHE 270 HB3 -0.01 0.22 0.13 -0.04 3.06 3.35 2ok7A1 PHE 270 HD2 -0.00 0.03 -0.08 -0.04 7.28 7.19 2ok7A1 PHE 270 HE2 -0.04 0.02 -0.07 -0.04 7.38 7.25 2ok7A1 PHE 270 HZ -0.04 -0.03 -0.08 -0.04 7.32 7.13 2ok7A1 LEU 271 H 0.18 0.43 -0.08 -0.55 8.37 8.35 2ok7A1 LEU 271 HA 0.02 0.02 0.38 -0.75 4.35 4.02 2ok7A1 LEU 271 HB2 0.08 0.07 0.21 -0.04 1.64 1.96 2ok7A1 LEU 271 HB3 0.06 -0.03 -0.03 -0.04 1.64 1.60 2ok7A1 LEU 271 HG 0.14 0.02 -0.01 -0.04 1.64 1.75 2ok7A1 LEU 271 HD13 0.04 -0.01 -0.06 -0.04 0.93 0.87 2ok7A1 LEU 271 HD23 0.06 0.03 -0.05 -0.04 0.89 0.89 2ok7A1 ASN 272 H 0.08 0.66 -0.09 -0.55 8.53 8.63 2ok7A1 ASN 272 HA 0.05 -0.03 0.46 -0.75 4.76 4.49 2ok7A1 ASN 272 HB2 0.10 0.11 0.09 -0.04 2.88 3.14 2ok7A1 ASN 272 HB3 0.13 -0.01 -0.04 -0.04 2.79 2.83 2ok7A1 ASN 272 HD21 0.04 -0.05 -0.07 -0.04 7.03 6.91 2ok7A1 ASN 272 HD22 0.07 0.01 -0.06 -0.04 7.74 7.72 2ok7A1 LEU 273 H 0.09 0.40 -0.27 -0.55 8.37 8.04 2ok7A1 LEU 273 HA 0.25 0.04 0.39 -0.75 4.35 4.27 2ok7A1 LEU 273 HB2 -0.01 0.16 0.17 -0.04 1.64 1.92 2ok7A1 LEU 273 HB3 0.04 -0.04 -0.08 -0.04 1.64 1.52 2ok7A1 LEU 273 HG 0.08 0.09 0.05 -0.04 1.64 1.82 2ok7A1 LEU 273 HD13 0.21 -0.03 -0.04 -0.04 0.93 1.03 2ok7A1 LEU 273 HD23 -0.08 -0.00 -0.07 -0.04 0.89 0.70 2ok7A1 PHE 274 H 0.00 0.47 -0.13 -0.55 8.34 8.13 2ok7A1 PHE 274 HA -0.09 -0.03 0.33 -0.75 4.62 4.07 2ok7A1 PHE 274 HB2 -0.38 -0.01 0.05 -0.04 3.15 2.76 2ok7A1 PHE 274 HB3 -0.17 0.05 0.10 -0.04 3.06 3.01 2ok7A1 PHE 274 HD2 -0.08 -0.03 -0.12 -0.04 7.28 7.01 2ok7A1 PHE 274 HE2 -0.02 -0.03 -0.05 -0.04 7.38 7.24 2ok7A1 PHE 274 HZ -0.03 0.06 -0.02 -0.04 7.32 7.28 2ok7A1 ASN 275 H 0.07 0.59 -0.04 -0.55 8.53 8.61 2ok7A1 ASN 275 HA -0.09 0.10 0.56 -0.75 4.76 4.56 2ok7A1 ASN 275 HB2 0.02 0.02 0.16 -0.04 2.88 3.04 2ok7A1 ASN 275 HB3 -0.01 -0.04 0.01 -0.04 2.79 2.71 2ok7A1 ASN 275 HD21 0.08 -0.00 0.00 -0.04 7.03 7.07 2ok7A1 ASN 275 HD22 0.05 -0.05 -0.03 -0.04 7.74 7.67 2ok7A1 ASN 276 H -0.03 0.43 0.11 -0.55 8.53 8.48 2ok7A1 ASN 276 HA -0.17 0.08 0.45 -0.75 4.76 4.36 2ok7A1 ASN 276 HB2 -0.24 0.16 0.10 -0.04 2.88 2.86 2ok7A1 ASN 276 HB3 -0.36 -0.04 0.11 -0.04 2.79 2.46 2ok7A1 ASN 276 HD21 -0.03 -0.05 0.02 -0.04 7.03 6.93 2ok7A1 ASN 276 HD22 -0.02 0.01 0.10 -0.04 7.74 7.79 2ok7A1 TYR 277 H 0.01 0.26 -0.29 -0.55 8.29 7.71 2ok7A1 TYR 277 HA -0.09 0.19 0.91 -0.75 4.56 4.82 2ok7A1 TYR 277 HB2 -0.06 0.19 0.11 -0.04 3.06 3.26 2ok7A1 TYR 277 HB3 -0.07 -0.05 0.14 -0.04 2.98 2.96 2ok7A1 TYR 277 HD2 -0.06 0.06 -0.06 -0.04 7.15 7.05 2ok7A1 TYR 277 HE2 -0.07 -0.04 -0.09 -0.04 6.85 6.61 2ok7A1 LYS 278 H -0.13 0.15 -0.37 -0.55 8.42 7.52 2ok7A1 LYS 278 HA -0.29 0.17 0.37 -0.75 4.32 3.82 2ok7A1 LYS 278 HB2 -0.11 0.05 -0.17 -0.04 1.87 1.59 2ok7A1 LYS 278 HB3 -0.15 -0.06 0.19 -0.04 1.79 1.73 2ok7A1 LYS 278 HG2 -0.16 0.01 0.07 -0.04 1.46 1.34 2ok7A1 LYS 278 HG3 -0.13 0.05 -0.07 -0.04 1.46 1.28 2ok7A1 LYS 278 HD2 -0.09 0.00 -0.04 -0.04 1.69 1.52 2ok7A1 LYS 278 HD3 -0.10 -0.03 0.01 -0.04 1.68 1.52 2ok7A1 LYS 278 HE2 -0.07 -0.06 0.00 -0.04 2.99 2.82 2ok7A1 LYS 278 HE3 -0.09 -0.00 0.02 -0.04 2.99 2.87 2ok7A1 CYS 279 H -0.26 0.19 0.00 -0.55 8.50 7.88 2ok7A1 CYS 279 HA -0.15 0.20 0.30 -0.75 4.58 4.18 2ok7A1 CYS 279 HB2 -0.00 -0.08 -0.17 -0.04 2.97 2.67 2ok7A1 CYS 279 HB3 0.08 -0.08 -0.35 -0.04 2.97 2.58 2ok7A1 GLU 280 H -0.10 0.57 0.35 -0.55 8.60 8.88 2ok7A1 GLU 280 HA 0.14 0.19 0.95 -0.75 4.29 4.82 2ok7A1 GLU 280 HB2 0.44 -0.05 0.24 -0.04 2.09 2.68 2ok7A1 GLU 280 HB3 0.43 0.03 0.09 -0.04 1.99 2.50 2ok7A1 GLU 280 HG2 -0.07 0.09 0.05 -0.04 2.34 2.37 2ok7A1 GLU 280 HG3 0.06 -0.10 0.08 -0.04 2.34 2.34 2ok7A1 LEU 281 H 0.27 0.71 0.32 -0.55 8.37 9.12 2ok7A1 LEU 281 HA 0.38 0.16 0.85 -0.75 4.35 4.99 2ok7A1 LEU 281 HB2 0.32 0.01 -0.04 -0.04 1.64 1.88 2ok7A1 LEU 281 HB3 0.22 0.03 0.10 -0.04 1.64 1.95 2ok7A1 LEU 281 HG 0.21 -0.07 -0.27 -0.04 1.64 1.47 2ok7A1 LEU 281 HD13 0.33 -0.01 -0.05 -0.04 0.93 1.17 2ok7A1 LEU 281 HD23 -0.05 -0.01 -0.11 -0.04 0.89 0.67 2ok7A1 TYR 282 H 0.52 0.43 0.35 -0.55 8.29 9.04 2ok7A1 TYR 282 HA 0.51 0.23 1.05 -0.75 4.56 5.60 2ok7A1 TYR 282 HB2 0.60 0.04 0.23 -0.04 3.06 3.89 2ok7A1 TYR 282 HB3 0.75 -0.06 -0.04 -0.04 2.98 3.58 2ok7A1 TYR 282 HD2 -0.27 0.07 -0.21 -0.04 7.15 6.70 2ok7A1 TYR 282 HE2 -0.12 0.03 -0.23 -0.04 6.85 6.49 2ok7A1 ILE 283 H 0.61 0.90 0.44 -0.55 8.25 9.65 2ok7A1 ILE 283 HA 0.40 0.20 1.06 -0.75 4.18 5.08 2ok7A1 ILE 283 HB 0.20 -0.09 0.12 -0.04 1.89 2.08 2ok7A1 ILE 283 HG12 0.25 0.05 -0.27 -0.04 1.49 1.47 2ok7A1 ILE 283 HG13 0.13 -0.03 -0.15 -0.04 1.21 1.12 2ok7A1 ILE 283 HG23 0.13 -0.04 -0.21 -0.04 0.93 0.76 2ok7A1 ILE 283 HD13 0.18 0.02 -0.20 -0.04 0.88 0.84 2ok7A1 CYS 284 H 0.30 0.59 0.25 -0.55 8.50 9.09 2ok7A1 CYS 284 HA -0.10 0.24 0.77 -0.75 4.58 4.73 2ok7A1 CYS 284 HB2 -0.19 0.04 -0.10 -0.04 2.97 2.68 2ok7A1 CYS 284 HB3 -0.09 0.08 0.21 -0.04 2.97 3.14 2ok7A1 GLY 285 H -0.18 0.37 0.24 -0.55 8.43 8.31 2ok7A1 GLY 285 HA2 -0.49 0.05 0.42 -0.51 4.01 3.48 2ok7A1 GLY 285 HA3 -0.08 -0.00 1.05 -0.51 4.01 4.47 2ok7A1 HIS 286 H 0.04 0.08 0.16 -0.55 8.41 8.15 2ok7A1 HIS 286 HA -0.13 0.18 0.47 -0.75 4.63 4.40 2ok7A1 HIS 286 HB2 -0.09 -0.01 0.14 -0.04 3.26 3.26 2ok7A1 HIS 286 HB3 -0.11 -0.11 0.09 -0.04 3.20 3.03 2ok7A1 HIS 286 HD2 -0.09 -0.01 0.08 -0.04 6.97 6.91 2ok7A1 HIS 286 HE1 -0.00 0.01 0.02 -0.04 7.75 7.74 2ok7A1 LYS 287 H 0.04 0.20 0.21 -0.55 8.42 8.31 2ok7A1 LYS 287 HA 0.02 0.14 0.39 -0.75 4.32 4.12 2ok7A1 LYS 287 HB2 0.02 -0.01 0.15 -0.04 1.87 1.99 2ok7A1 LYS 287 HB3 0.04 0.06 0.03 -0.04 1.79 1.88 2ok7A1 LYS 287 HG2 0.02 0.07 0.02 -0.04 1.46 1.53 2ok7A1 LYS 287 HG3 0.01 0.03 0.02 -0.04 1.46 1.47 2ok7A1 LYS 287 HD2 -0.03 -0.02 -0.08 -0.04 1.69 1.53 2ok7A1 LYS 287 HD3 -0.06 -0.08 0.12 -0.04 1.68 1.62 2ok7A1 LYS 287 HE2 0.01 -0.02 0.06 -0.04 2.99 3.00 2ok7A1 LYS 287 HE3 0.00 0.07 0.02 -0.04 2.99 3.04 2ok7A1 SER 288 H 0.03 0.04 -0.19 -0.55 8.46 7.79 2ok7A1 SER 288 HA 0.03 0.13 0.31 -0.75 4.49 4.21 2ok7A1 SER 288 HB2 -0.08 -0.04 -0.06 -0.04 3.95 3.74 2ok7A1 SER 288 HB3 -0.04 0.06 0.03 -0.04 3.93 3.95 2ok7A1 ILE 289 H 0.04 0.23 -0.48 -0.55 8.25 7.48 2ok7A1 ILE 289 HA 0.01 -0.01 0.30 -0.75 4.18 3.72 2ok7A1 ILE 289 HB 0.07 0.11 -0.12 -0.04 1.89 1.92 2ok7A1 ILE 289 HG12 0.05 -0.10 -0.09 -0.04 1.49 1.31 2ok7A1 ILE 289 HG13 0.05 -0.11 -0.09 -0.04 1.21 1.02 2ok7A1 ILE 289 HG23 0.06 0.01 -0.15 -0.04 0.93 0.81 2ok7A1 ILE 289 HD13 0.12 0.02 -0.18 -0.04 0.88 0.79 2ok7A1 ARG 290 H 0.06 0.23 -0.30 -0.55 8.46 7.90 2ok7A1 ARG 290 HA 0.03 0.07 0.29 -0.75 4.34 3.97 2ok7A1 ARG 290 HB2 0.06 -0.02 0.07 -0.04 1.90 1.97 2ok7A1 ARG 290 HB3 0.11 0.07 0.13 -0.04 1.80 2.07 2ok7A1 ARG 290 HG2 -0.15 0.01 -0.18 -0.04 1.67 1.31 2ok7A1 ARG 290 HG3 -0.02 0.01 -0.03 -0.04 1.67 1.59 2ok7A1 ARG 290 HD2 0.03 -0.02 -0.02 -0.04 3.22 3.17 2ok7A1 ARG 290 HD3 0.09 0.00 0.00 -0.04 3.22 3.27 2ok7A1 TYR 291 H 0.22 0.18 -0.18 -0.55 8.29 7.95 2ok7A1 TYR 291 HA -0.01 0.09 0.14 -0.75 4.56 4.02 2ok7A1 TYR 291 HB2 -0.02 0.00 0.10 -0.04 3.06 3.10 2ok7A1 TYR 291 HB3 -0.03 0.04 -0.06 -0.04 2.98 2.89 2ok7A1 TYR 291 HD2 -0.01 -0.00 -0.02 -0.04 7.15 7.08 2ok7A1 TYR 291 HE2 -0.00 0.02 -0.03 -0.04 6.85 6.79 2ok7A1 LYS 292 H 0.06 0.22 -0.07 -0.55 8.42 8.08 2ok7A1 LYS 292 HA 0.01 0.09 0.40 -0.75 4.32 4.07 2ok7A1 LYS 292 HB2 -0.03 -0.02 0.06 -0.04 1.87 1.84 2ok7A1 LYS 292 HB3 -0.05 0.00 0.00 -0.04 1.79 1.71 2ok7A1 LYS 292 HG2 -0.03 0.06 -0.11 -0.04 1.46 1.34 2ok7A1 LYS 292 HG3 -0.12 0.03 0.01 -0.04 1.46 1.34 2ok7A1 LYS 292 HD2 -0.11 -0.14 -0.20 -0.04 1.69 1.20 2ok7A1 LYS 292 HD3 -0.20 0.05 -0.14 -0.04 1.68 1.36 2ok7A1 LYS 292 HE2 -0.24 0.06 -0.05 -0.04 2.99 2.71 2ok7A1 LYS 292 HE3 -0.11 -0.02 -0.05 -0.04 2.99 2.78 2ok7A1 VAL 293 H -0.03 0.35 -0.21 -0.55 8.24 7.80 2ok7A1 VAL 293 HA -0.12 0.06 0.43 -0.75 4.13 3.74 2ok7A1 VAL 293 HB -0.01 0.17 0.08 -0.04 2.12 2.31 2ok7A1 VAL 293 HG13 0.09 0.01 -0.16 -0.04 0.97 0.87 2ok7A1 VAL 293 HG23 -0.20 -0.03 -0.02 -0.04 0.95 0.66 2ok7A1 MET 294 H -0.05 0.50 -0.07 -0.55 8.47 8.30 2ok7A1 MET 294 HA -0.06 0.07 0.46 -0.75 4.52 4.24 2ok7A1 MET 294 HB2 -0.16 0.09 0.03 -0.04 2.15 2.06 2ok7A1 MET 294 HB3 -0.12 -0.03 -0.02 -0.04 2.03 1.82 2ok7A1 MET 294 HG2 -0.10 0.29 0.05 -0.04 2.63 2.82 2ok7A1 MET 294 HG3 -0.19 -0.07 -0.07 -0.04 2.56 2.19 2ok7A1 MET 294 HE3 -0.08 -0.00 -0.05 -0.04 2.10 1.93 2ok7A1 ASP 295 H -0.01 0.27 -0.42 -0.55 8.40 7.69 2ok7A1 ASP 295 HA 0.01 0.01 0.37 -0.75 4.63 4.26 2ok7A1 ASP 295 HB2 0.03 0.12 0.16 -0.04 2.71 2.97 2ok7A1 ASP 295 HB3 0.04 0.03 -0.02 -0.04 2.70 2.71 2ok7A1 ILE 296 H 0.04 0.30 -0.23 -0.55 8.25 7.81 2ok7A1 ILE 296 HA 0.09 0.08 0.63 -0.75 4.18 4.23 2ok7A1 ILE 296 HB 0.09 0.06 0.08 -0.04 1.89 2.08 2ok7A1 ILE 296 HG12 0.22 -0.05 -0.01 -0.04 1.49 1.60 2ok7A1 ILE 296 HG13 0.11 0.22 0.07 -0.04 1.21 1.57 2ok7A1 ILE 296 HG23 0.06 -0.00 -0.03 -0.04 0.93 0.92 2ok7A1 ILE 296 HD13 -0.05 -0.02 -0.16 -0.04 0.88 0.61 2ok7A1 LEU 297 H 0.03 0.30 -0.18 -0.55 8.37 7.97 2ok7A1 LEU 297 HA 0.00 0.07 0.37 -0.75 4.35 4.03 2ok7A1 LEU 297 HB2 -0.09 0.03 0.07 -0.04 1.64 1.60 2ok7A1 LEU 297 HB3 -0.16 -0.04 0.05 -0.04 1.64 1.45 2ok7A1 LEU 297 HG 0.04 0.08 0.00 -0.04 1.64 1.72 2ok7A1 LEU 297 HD13 -0.75 -0.02 -0.08 -0.04 0.93 0.04 2ok7A1 LEU 297 HD23 -0.25 -0.01 -0.07 -0.04 0.89 0.53 2ok7A1 LYS 298 H 0.01 0.12 -0.73 -0.55 8.42 7.27 2ok7A1 LYS 298 HA 0.01 0.18 0.67 -0.75 4.32 4.42 2ok7A1 LYS 298 HB2 -0.01 0.15 0.00 -0.04 1.87 1.97 2ok7A1 LYS 298 HB3 -0.00 -0.07 0.05 -0.04 1.79 1.73 2ok7A1 LYS 298 HG2 -0.01 -0.01 0.16 -0.04 1.46 1.57 2ok7A1 LYS 298 HG3 -0.03 0.03 -0.35 -0.04 1.46 1.07 2ok7A1 LYS 298 HD2 -0.04 -0.01 -0.06 -0.04 1.69 1.54 2ok7A1 LYS 298 HD3 -0.02 -0.04 0.00 -0.04 1.68 1.58 2ok7A1 LYS 298 HE2 -0.02 -0.01 0.08 -0.04 2.99 3.01 2ok7A1 LYS 298 HE3 -0.03 0.02 -0.06 -0.04 2.99 2.88 2ok7A1 LYS 306 HA 0.00 -0.01 0.24 -0.75 4.32 3.80 2ok7A1 LYS 307 H 0.04 0.23 0.14 -0.55 8.42 8.28 2ok7A1 LYS 307 HA 0.03 0.19 0.74 -0.75 4.32 4.53 2ok7A1 LYS 307 HB2 0.17 0.02 0.00 -0.04 1.87 2.02 2ok7A1 LYS 307 HB3 0.26 0.05 0.14 -0.04 1.79 2.19 2ok7A1 LYS 307 HG2 0.03 0.05 -0.01 -0.04 1.46 1.50 2ok7A1 LYS 307 HG3 0.06 -0.06 0.00 -0.04 1.46 1.41 2ok7A1 LYS 307 HD2 0.17 0.02 -0.01 -0.04 1.69 1.82 2ok7A1 LYS 307 HD3 0.36 0.03 -0.01 -0.04 1.68 2.03 2ok7A1 LYS 307 HE2 0.04 0.02 0.01 -0.04 2.99 3.02 2ok7A1 LYS 307 HE3 0.05 -0.03 0.04 -0.04 2.99 3.00 2ok7A1 LYS 308 H 0.01 0.21 -0.20 -0.55 8.42 7.89 2ok7A1 LYS 308 HA 0.00 0.08 0.33 -0.75 4.32 3.98 2ok7A1 LYS 308 HB2 -0.01 0.03 0.08 -0.04 1.87 1.92 2ok7A1 LYS 308 HB3 -0.02 0.03 -0.00 -0.04 1.79 1.75 2ok7A1 LYS 308 HG2 -0.02 -0.00 0.03 -0.04 1.46 1.43 2ok7A1 LYS 308 HG3 -0.00 0.05 0.06 -0.04 1.46 1.53 2ok7A1 LYS 308 HD2 -0.01 0.02 0.02 -0.04 1.69 1.67 2ok7A1 LYS 308 HD3 -0.02 -0.01 0.01 -0.04 1.68 1.62 2ok7A1 LYS 308 HE2 -0.03 -0.00 0.00 -0.04 2.99 2.92 2ok7A1 LYS 308 HE3 -0.01 0.02 0.02 -0.04 2.99 2.98 2ok7A1 LYS 309 H -0.02 0.14 -0.22 -0.55 8.42 7.77 2ok7A1 LYS 309 HA -0.10 0.17 0.57 -0.75 4.32 4.21 2ok7A1 LYS 309 HB2 -0.02 0.02 0.05 -0.04 1.87 1.89 2ok7A1 LYS 309 HB3 -0.01 0.03 0.09 -0.04 1.79 1.85 2ok7A1 LYS 309 HG2 -0.01 0.03 0.05 -0.04 1.46 1.49 2ok7A1 LYS 309 HG3 -0.02 -0.06 -0.03 -0.04 1.46 1.30 2ok7A1 LYS 309 HD2 -0.01 0.02 0.01 -0.04 1.69 1.67 2ok7A1 LYS 309 HD3 0.00 0.00 0.02 -0.04 1.68 1.67 2ok7A1 LYS 309 HE2 -0.01 -0.00 0.01 -0.04 2.99 2.95 2ok7A1 LYS 309 HE3 -0.01 -0.02 -0.00 -0.04 2.99 2.92 2ok7A1 ARG 310 H -0.02 0.25 -0.44 -0.55 8.46 7.70 2ok7A1 ARG 310 HA 0.01 0.11 0.80 -0.75 4.34 4.50 2ok7A1 ARG 310 HB2 0.08 0.20 0.15 -0.04 1.90 2.29 2ok7A1 ARG 310 HB3 0.05 0.07 0.21 -0.04 1.80 2.09 2ok7A1 ARG 310 HG2 -0.02 -0.03 0.02 -0.04 1.67 1.60 2ok7A1 ARG 310 HG3 -0.05 -0.09 -0.02 -0.04 1.67 1.47 2ok7A1 ARG 310 HD2 -0.25 0.31 -0.14 -0.04 3.22 3.09 2ok7A1 ARG 310 HD3 -0.16 -0.02 -0.08 -0.04 3.22 2.92 2ok7A1 VAL 311 H -0.16 0.34 -0.25 -0.55 8.24 7.62 2ok7A1 VAL 311 HA -0.04 0.19 0.92 -0.75 4.13 4.45 2ok7A1 VAL 311 HB -0.06 0.04 0.09 -0.04 2.12 2.15 2ok7A1 VAL 311 HG13 0.01 -0.04 -0.12 -0.04 0.97 0.78 2ok7A1 VAL 311 HG23 0.01 0.02 -0.05 -0.04 0.95 0.89 2ok7A1 HIS 312 H 0.05 0.39 0.23 -0.55 8.41 8.53 2ok7A1 HIS 312 HA 0.09 0.12 0.92 -0.75 4.63 5.00 2ok7A1 HIS 312 HB2 -0.47 -0.05 0.15 -0.04 3.26 2.86 2ok7A1 HIS 312 HB3 0.05 -0.08 -0.02 -0.04 3.20 3.11 2ok7A1 HIS 312 HD2 -0.83 0.16 -0.22 -0.04 6.97 6.03 2ok7A1 HIS 312 HE1 -0.01 -0.04 -0.01 -0.04 7.75 7.64 2ok7A1 VAL 313 H 0.28 0.25 0.16 -0.55 8.24 8.37 2ok7A1 VAL 313 HA 0.25 0.20 1.04 -0.75 4.13 4.86 2ok7A1 VAL 313 HB 0.10 0.03 0.11 -0.04 2.12 2.31 2ok7A1 VAL 313 HG13 0.06 -0.04 -0.12 -0.04 0.97 0.83 2ok7A1 VAL 313 HG23 0.09 0.01 -0.21 -0.04 0.95 0.79 2ok7A1 GLU 314 H -0.08 0.74 0.25 -0.55 8.60 8.96 2ok7A1 GLU 314 HA -0.04 0.13 0.76 -0.75 4.29 4.38 2ok7A1 GLU 314 HB2 -0.68 0.02 -0.06 -0.04 2.09 1.33 2ok7A1 GLU 314 HB3 -0.80 -0.02 0.28 -0.04 1.99 1.41 2ok7A1 GLU 314 HG2 -0.08 -0.02 -0.05 -0.04 2.34 2.15 2ok7A1 GLU 314 HG3 -0.03 0.02 0.11 -0.04 2.34 2.39 2ok7A1 VAL 315 H 0.01 0.18 0.03 -0.55 8.24 7.91 2ok7A1 VAL 315 HA -0.12 0.08 0.97 -0.75 4.13 4.31 2ok7A1 VAL 315 HB -0.05 -0.02 -0.03 -0.04 2.12 1.97 2ok7A1 VAL 315 HG13 -0.00 -0.01 -0.22 -0.04 0.97 0.69 2ok7A1 VAL 315 HG23 0.02 0.00 -0.00 -0.04 0.95 0.93 2ok7A1 TYR 316 H -0.39 0.46 0.16 -0.55 8.29 7.96 2ok7A1 TYR 316 HA -0.05 0.20 0.38 -0.75 4.56 4.33 2ok7A1 TYR 316 HB2 -0.08 0.01 0.10 -0.04 3.06 3.05 2ok7A1 TYR 316 HB3 -0.08 0.14 -0.05 -0.04 2.98 2.95 2ok7A1 TYR 316 HD2 -0.09 0.04 -0.13 -0.04 7.15 6.94 2ok7A1 TYR 316 HE2 -0.06 0.01 0.02 -0.04 6.85 6.78