============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 7 0.840 2.258 5.441 70.286 -99.200 -91.000 HIS 17 0.900 5.103 -0.322 79.316 -99.200 -91.000 TRP 19 1.040 2.567 5.219 79.149 -99.200 -91.000 TRP6 19 1.020 1.904 4.522 81.309 -99.200 -91.000 HIS 23 0.900 -7.636 18.820 80.652 -99.200 -91.000 TYR 50 0.840 0.613 1.729 58.312 -99.200 -91.000 TYR 52 0.840 6.516 3.850 59.098 -99.200 -91.000 PHE 59 1.000 21.326 -5.356 63.413 -99.200 -91.000 TYR 64 0.840 4.371 -2.973 66.131 -99.200 -91.000 PHE 75 1.000 4.419 -7.508 62.057 -99.200 -91.000 HIS 87 0.900 17.131 9.474 64.356 -99.200 -91.000 HIS 92 0.900 9.166 17.438 56.356 -99.200 -91.000 PHE 96 1.000 11.578 7.588 48.954 -99.200 -91.000 PHE 98 1.000 14.933 9.815 54.454 -99.200 -91.000 TYR 102 0.840 28.073 4.413 67.265 -99.200 -91.000 HIS 131 0.900 23.760 7.892 67.991 -99.200 -91.000 TRP 143 1.040 20.584 19.190 57.356 -99.200 -91.000 TRP6 143 1.020 21.756 20.905 58.490 -99.200 -91.000 PHE 155 1.000 24.784 11.677 52.356 -99.200 -91.000 HIS 162 0.900 18.587 5.660 43.617 -99.200 -91.000 HIS 181 0.900 19.081 11.223 68.720 -99.200 -91.000 PHE 184 1.000 16.521 20.502 60.028 -99.200 -91.000 HIS 185 0.900 12.698 28.300 65.625 -99.200 -91.000 TYR 190 0.840 18.925 30.546 62.822 -99.200 -91.000 TYR 192 0.840 17.872 25.294 67.357 -99.200 -91.000 TRP 204 1.040 24.981 22.762 63.122 -99.200 -91.000 TRP6 204 1.020 27.073 23.010 62.045 -99.200 -91.000 HIS 210 0.900 28.312 36.150 54.606 -99.200 -91.000 PHE 226 1.000 29.003 16.700 83.976 -99.200 -91.000 TRP 231 1.040 26.838 8.227 77.560 -99.200 -91.000 TRP6 231 1.020 26.298 6.592 79.182 -99.200 -91.000 HIS 236 0.900 13.033 15.234 71.213 -99.200 -91.000 HIS 243 0.900 9.647 27.457 76.394 -99.200 -91.000 TYR 245 0.840 12.639 21.937 77.528 -99.200 -91.000 PHE 257 1.000 20.631 24.651 76.079 -99.200 -91.000 PHE 271 1.000 22.177 23.390 84.128 -99.200 -91.000 PHE 281 1.000 14.403 15.327 75.975 -99.200 -91.000 HIS 285 0.900 2.478 16.450 68.340 -99.200 -91.000 TYR 289 0.840 1.097 18.717 80.506 -99.200 -91.000 HIS 298 0.900 15.116 -0.572 84.574 -99.200 -91.000 HIS 299 0.900 9.734 3.395 87.763 -99.200 -91.000 TYR 303 0.840 10.331 16.020 84.677 -99.200 -91.000 HIS 313 0.900 5.309 21.523 89.473 -99.200 -91.000 TYR 318 0.840 2.362 8.413 84.691 -99.200 -91.000 TRP 326 1.040 12.817 6.955 69.949 -99.200 -91.000 TRP6 326 1.020 14.963 7.167 68.977 -99.200 -91.000 HIS 332 0.900 -5.146 10.399 68.828 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ri6A1 SER 2 HA -0.03 -0.09 0.20 -0.75 4.49 3.83 1ri6A1 SER 2 HB2 -0.05 -0.04 0.04 -0.04 3.95 3.86 1ri6A1 SER 2 HB3 -0.04 -0.03 0.05 -0.04 3.93 3.88 1ri6A1 LEU 3 H -0.02 0.02 0.09 -0.55 8.37 7.91 1ri6A1 LEU 3 HA -0.05 0.07 0.40 -0.75 4.35 4.01 1ri6A1 LEU 3 HB2 -0.00 -0.04 0.13 -0.04 1.64 1.69 1ri6A1 LEU 3 HB3 0.00 -0.04 0.01 -0.04 1.64 1.58 1ri6A1 LEU 3 HG 0.01 0.01 -0.03 -0.04 1.64 1.59 1ri6A1 LEU 3 HD13 0.06 -0.02 -0.10 -0.04 0.93 0.83 1ri6A1 LEU 3 HD23 -0.03 -0.01 -0.11 -0.04 0.89 0.71 1ri6A1 LYS 4 H -0.18 0.47 0.39 -0.55 8.42 8.54 1ri6A1 LYS 4 HA -0.13 0.09 0.93 -0.75 4.32 4.46 1ri6A1 LYS 4 HB2 -0.40 0.21 0.23 -0.04 1.87 1.88 1ri6A1 LYS 4 HB3 -0.56 -0.01 0.02 -0.04 1.79 1.20 1ri6A1 LYS 4 HG2 -0.08 -0.06 0.08 -0.04 1.46 1.36 1ri6A1 LYS 4 HG3 -0.08 0.07 -0.12 -0.04 1.46 1.29 1ri6A1 LYS 4 HD2 0.00 0.05 0.03 -0.04 1.69 1.72 1ri6A1 LYS 4 HD3 -0.01 -0.10 0.00 -0.04 1.68 1.54 1ri6A1 LYS 4 HE2 -0.01 -0.04 0.01 -0.04 2.99 2.91 1ri6A1 LYS 4 HE3 0.01 0.06 0.01 -0.04 2.99 3.03 1ri6A1 GLN 5 H -0.07 0.27 0.25 -0.55 8.47 8.37 1ri6A1 GLN 5 HA 0.05 0.35 1.17 -0.75 4.36 5.17 1ri6A1 GLN 5 HB2 0.04 0.03 0.06 -0.04 2.15 2.24 1ri6A1 GLN 5 HB3 0.11 -0.01 -0.04 -0.04 2.02 2.03 1ri6A1 GLN 5 HG2 0.08 0.07 -0.11 -0.04 2.40 2.41 1ri6A1 GLN 5 HG3 0.03 -0.01 -0.36 -0.04 2.39 2.02 1ri6A1 GLN 5 HE21 0.14 -0.21 -0.05 -0.04 6.97 6.81 1ri6A1 GLN 5 HE22 0.09 0.15 -0.13 -0.04 7.69 7.75 1ri6A1 THR 6 H 0.19 0.71 0.37 -0.55 8.28 9.01 1ri6A1 THR 6 HA -0.01 0.30 1.16 -0.75 4.39 5.09 1ri6A1 THR 6 HB 0.04 -0.06 0.07 -0.04 4.32 4.33 1ri6A1 THR 6 HG23 -0.49 0.02 -0.15 -0.04 1.22 0.56 1ri6A1 VAL 7 H -0.06 0.78 0.33 -0.55 8.24 8.74 1ri6A1 VAL 7 HA 0.02 0.23 1.06 -0.75 4.13 4.69 1ri6A1 VAL 7 HB 0.05 -0.07 0.02 -0.04 2.12 2.08 1ri6A1 VAL 7 HG13 0.01 0.00 -0.26 -0.04 0.97 0.68 1ri6A1 VAL 7 HG23 -0.04 -0.01 -0.24 -0.04 0.95 0.61 1ri6A1 TYR 8 H 0.23 0.72 0.35 -0.55 8.29 9.04 1ri6A1 TYR 8 HA 0.14 0.33 1.07 -0.75 4.56 5.35 1ri6A1 TYR 8 HB2 0.10 -0.06 0.03 -0.04 3.06 3.10 1ri6A1 TYR 8 HB3 0.06 0.00 -0.13 -0.04 2.98 2.88 1ri6A1 TYR 8 HD2 0.03 0.00 -0.19 -0.04 7.15 6.95 1ri6A1 TYR 8 HE2 -0.00 0.03 -0.13 -0.04 6.85 6.71 1ri6A1 ILE 9 H 0.27 0.50 0.28 -0.55 8.25 8.75 1ri6A1 ILE 9 HA 0.24 0.38 1.12 -0.75 4.18 5.16 1ri6A1 ILE 9 HB 0.30 -0.13 0.08 -0.04 1.89 2.10 1ri6A1 ILE 9 HG12 0.38 0.06 -0.31 -0.04 1.49 1.58 1ri6A1 ILE 9 HG13 0.29 -0.03 -0.19 -0.04 1.21 1.24 1ri6A1 ILE 9 HG23 0.15 0.01 -0.19 -0.04 0.93 0.86 1ri6A1 ILE 9 HD13 0.09 0.04 -0.28 -0.04 0.88 0.68 1ri6A1 ALA 10 H 0.25 0.53 0.29 -0.55 8.40 8.93 1ri6A1 ALA 10 HA 0.14 0.17 0.90 -0.75 4.34 4.80 1ri6A1 ALA 10 HB3 0.16 0.01 -0.03 -0.04 1.41 1.51 1ri6A1 SER 11 H 0.13 0.74 0.23 -0.55 8.46 9.01 1ri6A1 SER 11 HA 0.13 0.21 0.63 -0.75 4.49 4.70 1ri6A1 SER 11 HB2 0.15 -0.01 0.12 -0.04 3.95 4.16 1ri6A1 SER 11 HB3 0.11 0.02 -0.23 -0.04 3.93 3.79 1ri6A1 PRO 12 HA 0.07 -0.09 0.56 -0.51 4.44 4.47 1ri6A1 PRO 12 HB2 0.09 -0.04 -0.06 -0.04 2.28 2.22 1ri6A1 PRO 12 HB3 0.08 0.24 -0.17 -0.04 2.02 2.14 1ri6A1 PRO 12 HG2 0.11 -0.08 0.18 -0.04 2.03 2.20 1ri6A1 PRO 12 HG3 0.12 0.02 0.09 -0.04 2.03 2.22 1ri6A1 PRO 12 HD2 0.13 0.31 0.19 -0.04 3.68 4.26 1ri6A1 PRO 12 HD3 0.13 0.19 0.00 -0.04 3.65 3.93 1ri6A1 GLU 13 H 0.09 0.33 -0.01 -0.55 8.60 8.46 1ri6A1 GLU 13 HA 0.06 0.05 0.40 -0.75 4.29 4.05 1ri6A1 GLU 13 HB2 0.09 0.18 -0.20 -0.04 2.09 2.12 1ri6A1 GLU 13 HB3 0.06 -0.03 -0.03 -0.04 1.99 1.94 1ri6A1 GLU 13 HG2 0.08 -0.02 0.03 -0.04 2.34 2.38 1ri6A1 GLU 13 HG3 0.09 0.00 0.05 -0.04 2.34 2.44 1ri6A1 SER 14 H 0.07 0.23 -0.24 -0.55 8.46 7.97 1ri6A1 SER 14 HA 0.03 0.21 0.85 -0.75 4.49 4.83 1ri6A1 SER 14 HB2 0.04 0.07 0.16 -0.04 3.95 4.17 1ri6A1 SER 14 HB3 0.02 -0.04 0.09 -0.04 3.93 3.96 1ri6A1 GLN 15 H 0.06 0.30 -0.34 -0.55 8.47 7.94 1ri6A1 GLN 15 HA 0.05 -0.03 0.49 -0.75 4.36 4.11 1ri6A1 GLN 15 HB2 0.03 0.06 -0.10 -0.04 2.15 2.09 1ri6A1 GLN 15 HB3 0.03 0.14 0.29 -0.04 2.02 2.45 1ri6A1 GLN 15 HG2 0.04 -0.03 -0.44 -0.04 2.40 1.93 1ri6A1 GLN 15 HG3 0.04 0.06 -0.19 -0.04 2.39 2.25 1ri6A1 GLN 15 HE21 0.02 -0.06 -0.04 -0.04 6.97 6.85 1ri6A1 GLN 15 HE22 0.03 0.06 -0.06 -0.04 7.69 7.68 1ri6A1 GLN 16 H 0.08 0.46 0.11 -0.55 8.47 8.58 1ri6A1 GLN 16 HA 0.01 0.43 1.18 -0.75 4.36 5.23 1ri6A1 GLN 16 HB2 0.15 -0.16 -0.04 -0.04 2.15 2.05 1ri6A1 GLN 16 HB3 0.04 -0.07 -0.08 -0.04 2.02 1.86 1ri6A1 GLN 16 HG2 -0.02 0.03 -0.11 -0.04 2.40 2.26 1ri6A1 GLN 16 HG3 0.03 0.34 -0.35 -0.04 2.39 2.37 1ri6A1 GLN 16 HE21 0.05 -0.03 -0.07 -0.04 6.97 6.88 1ri6A1 GLN 16 HE22 -0.02 0.03 -0.08 -0.04 7.69 7.58 1ri6A1 ILE 17 H -0.05 0.50 0.30 -0.55 8.25 8.45 1ri6A1 ILE 17 HA 0.11 0.38 1.02 -0.75 4.18 4.93 1ri6A1 ILE 17 HB -0.10 -0.09 0.10 -0.04 1.89 1.75 1ri6A1 ILE 17 HG12 0.01 0.06 -0.11 -0.04 1.49 1.40 1ri6A1 ILE 17 HG13 -0.03 -0.04 -0.40 -0.04 1.21 0.69 1ri6A1 ILE 17 HG23 0.05 0.00 -0.27 -0.04 0.93 0.67 1ri6A1 ILE 17 HD13 -0.25 -0.01 -0.19 -0.04 0.88 0.39 1ri6A1 HIS 18 H 0.27 0.47 0.26 -0.55 8.41 8.87 1ri6A1 HIS 18 HA -0.19 0.20 1.04 -0.75 4.63 4.94 1ri6A1 HIS 18 HB2 0.21 -0.05 0.13 -0.04 3.26 3.52 1ri6A1 HIS 18 HB3 -0.34 0.04 -0.03 -0.04 3.20 2.83 1ri6A1 HIS 18 HD2 0.04 -0.01 -0.26 -0.04 6.97 6.70 1ri6A1 HIS 18 HE1 -0.02 0.07 -0.16 -0.04 7.75 7.60 1ri6A1 VAL 19 H -0.35 0.83 0.43 -0.55 8.24 8.59 1ri6A1 VAL 19 HA -0.22 0.28 0.98 -0.75 4.13 4.42 1ri6A1 VAL 19 HB -0.19 -0.19 0.21 -0.04 2.12 1.92 1ri6A1 VAL 19 HG13 -0.25 0.02 -0.21 -0.04 0.97 0.49 1ri6A1 VAL 19 HG23 0.03 0.01 -0.16 -0.04 0.95 0.79 1ri6A1 TRP 20 H 0.01 0.77 0.36 -0.55 7.97 8.56 1ri6A1 TRP 20 HA -0.10 0.21 1.18 -0.75 4.62 5.16 1ri6A1 TRP 20 HB2 -0.18 -0.05 -0.02 -0.04 3.23 2.94 1ri6A1 TRP 20 HB3 -0.19 -0.02 -0.08 -0.04 3.23 2.89 1ri6A1 TRP 20 HD1 -0.07 0.19 -0.21 -0.04 7.22 7.08 1ri6A1 TRP 20 HE1 -0.00 -0.03 -0.19 -0.04 10.20 9.94 1ri6A1 TRP 20 HE3 -0.12 -0.07 -0.60 -0.04 7.59 6.76 1ri6A1 TRP 20 HZ2 0.01 0.21 -0.12 -0.04 7.44 7.50 1ri6A1 TRP 20 HZ3 0.14 -0.02 -0.12 -0.04 7.13 7.10 1ri6A1 TRP 20 HH2 0.16 0.04 -0.01 -0.04 7.19 7.33 1ri6A1 ASN 21 H 0.13 0.50 0.38 -0.55 8.53 9.00 1ri6A1 ASN 21 HA 0.03 0.29 0.95 -0.75 4.76 5.28 1ri6A1 ASN 21 HB2 0.03 0.06 0.09 -0.04 2.88 3.02 1ri6A1 ASN 21 HB3 0.05 -0.06 0.19 -0.04 2.79 2.93 1ri6A1 ASN 21 HD21 0.01 -0.03 0.00 -0.04 7.03 6.97 1ri6A1 ASN 21 HD22 0.04 0.07 0.03 -0.04 7.74 7.83 1ri6A1 LEU 22 H 0.00 0.68 0.26 -0.55 8.37 8.77 1ri6A1 LEU 22 HA -0.09 0.29 0.86 -0.75 4.35 4.65 1ri6A1 LEU 22 HB2 -0.08 -0.03 -0.20 -0.04 1.64 1.28 1ri6A1 LEU 22 HB3 -0.02 -0.02 -0.00 -0.04 1.64 1.56 1ri6A1 LEU 22 HG -0.09 0.09 -0.33 -0.04 1.64 1.27 1ri6A1 LEU 22 HD13 -0.33 -0.00 -0.23 -0.04 0.93 0.32 1ri6A1 LEU 22 HD23 0.01 -0.04 -0.15 -0.04 0.89 0.67 1ri6A1 ASN 23 H -0.08 0.49 0.16 -0.55 8.53 8.55 1ri6A1 ASN 23 HA 0.04 0.26 0.73 -0.75 4.76 5.03 1ri6A1 ASN 23 HB2 0.13 -0.04 0.18 -0.04 2.88 3.11 1ri6A1 ASN 23 HB3 0.03 0.11 0.04 -0.04 2.79 2.93 1ri6A1 ASN 23 HD21 -0.05 -0.00 -0.03 -0.04 7.03 6.90 1ri6A1 ASN 23 HD22 0.00 0.09 -0.03 -0.04 7.74 7.76 1ri6A1 HIS 24 H 0.38 0.21 0.15 -0.55 8.41 8.61 1ri6A1 HIS 24 HA 0.09 0.11 0.36 -0.75 4.63 4.44 1ri6A1 HIS 24 HB2 0.07 0.03 0.12 -0.04 3.26 3.44 1ri6A1 HIS 24 HB3 0.03 0.05 0.13 -0.04 3.20 3.38 1ri6A1 HIS 24 HD2 0.03 0.02 -0.07 -0.04 6.97 6.91 1ri6A1 HIS 24 HE1 0.01 0.02 0.00 -0.04 7.75 7.74 1ri6A1 GLU 25 H -0.32 -0.00 -0.41 -0.55 8.60 7.32 1ri6A1 GLU 25 HA -0.12 0.22 0.67 -0.75 4.29 4.31 1ri6A1 GLU 25 HB2 -0.22 -0.08 -0.01 -0.04 2.09 1.74 1ri6A1 GLU 25 HB3 -0.14 0.07 0.08 -0.04 1.99 1.95 1ri6A1 GLU 25 HG2 -0.99 -0.09 -0.08 -0.04 2.34 1.14 1ri6A1 GLU 25 HG3 -0.24 0.02 -0.02 -0.04 2.34 2.07 1ri6A1 GLY 26 H -0.40 0.43 -0.34 -0.55 8.43 7.57 1ri6A1 GLY 26 HA2 -1.17 0.02 0.15 -0.51 4.01 2.50 1ri6A1 GLY 26 HA3 -0.93 0.15 0.46 -0.51 4.01 3.18 1ri6A1 ALA 27 H -0.20 -0.09 -0.27 -0.55 8.40 7.29 1ri6A1 ALA 27 HA -0.01 0.14 0.54 -0.75 4.34 4.26 1ri6A1 ALA 27 HB3 -0.02 0.01 -0.03 -0.04 1.41 1.33 1ri6A1 LEU 28 H 0.08 0.16 0.15 -0.55 8.37 8.21 1ri6A1 LEU 28 HA -0.07 0.58 1.10 -0.75 4.35 5.20 1ri6A1 LEU 28 HB2 -1.33 -0.04 -0.05 -0.04 1.64 0.17 1ri6A1 LEU 28 HB3 -0.29 -0.02 -0.09 -0.04 1.64 1.20 1ri6A1 LEU 28 HG -0.58 0.04 -0.26 -0.04 1.64 0.80 1ri6A1 LEU 28 HD13 -1.39 -0.01 -0.21 -0.04 0.93 -0.73 1ri6A1 LEU 28 HD23 -0.23 0.01 -0.32 -0.04 0.89 0.30 1ri6A1 THR 29 H 0.19 0.39 0.31 -0.55 8.28 8.62 1ri6A1 THR 29 HA 0.29 0.15 0.85 -0.75 4.39 4.92 1ri6A1 THR 29 HB 0.09 0.06 0.02 -0.04 4.32 4.45 1ri6A1 THR 29 HG23 0.08 0.01 -0.21 -0.04 1.22 1.06 1ri6A1 LEU 30 H 0.18 0.15 0.11 -0.55 8.37 8.26 1ri6A1 LEU 30 HA -0.72 0.09 0.55 -0.75 4.35 3.51 1ri6A1 LEU 30 HB2 -0.52 -0.00 0.09 -0.04 1.64 1.17 1ri6A1 LEU 30 HB3 -0.17 -0.00 0.15 -0.04 1.64 1.57 1ri6A1 LEU 30 HG -0.37 -0.01 -0.29 -0.04 1.64 0.93 1ri6A1 LEU 30 HD13 -1.19 0.04 -0.04 -0.04 0.93 -0.30 1ri6A1 LEU 30 HD23 -0.20 0.00 -0.06 -0.04 0.89 0.60 1ri6A1 THR 31 H -0.31 0.79 0.57 -0.55 8.28 8.78 1ri6A1 THR 31 HA -0.09 0.11 0.78 -0.75 4.39 4.43 1ri6A1 THR 31 HB -0.13 0.03 -0.00 -0.04 4.32 4.18 1ri6A1 THR 31 HG23 -0.05 0.02 -0.07 -0.04 1.22 1.08 1ri6A1 GLN 32 H -0.31 0.35 0.32 -0.55 8.47 8.29 1ri6A1 GLN 32 HA -0.16 0.11 0.54 -0.75 4.36 4.09 1ri6A1 GLN 32 HB2 -0.09 0.17 -0.13 -0.04 2.15 2.06 1ri6A1 GLN 32 HB3 -0.11 -0.05 -0.07 -0.04 2.02 1.75 1ri6A1 GLN 32 HG2 -0.12 -0.01 -0.34 -0.04 2.40 1.89 1ri6A1 GLN 32 HG3 -0.08 0.04 0.04 -0.04 2.39 2.35 1ri6A1 GLN 32 HE21 0.01 0.35 0.12 -0.04 6.97 7.41 1ri6A1 GLN 32 HE22 -0.02 0.01 0.02 -0.04 7.69 7.66 1ri6A1 VAL 33 H -0.18 0.27 0.13 -0.55 8.24 7.91 1ri6A1 VAL 33 HA -0.44 0.21 1.03 -0.75 4.13 4.17 1ri6A1 VAL 33 HB -0.21 -0.01 0.15 -0.04 2.12 2.01 1ri6A1 VAL 33 HG13 -0.43 0.01 -0.16 -0.04 0.97 0.35 1ri6A1 VAL 33 HG23 -0.42 -0.01 -0.13 -0.04 0.95 0.34 1ri6A1 VAL 34 H -0.18 0.80 0.30 -0.55 8.24 8.62 1ri6A1 VAL 34 HA -0.07 0.14 0.85 -0.75 4.13 4.30 1ri6A1 VAL 34 HB -0.14 -0.05 0.11 -0.04 2.12 2.00 1ri6A1 VAL 34 HG13 -0.09 0.01 -0.28 -0.04 0.97 0.57 1ri6A1 VAL 34 HG23 -0.11 0.02 -0.09 -0.04 0.95 0.73 1ri6A1 ASP 35 H -0.02 0.17 0.17 -0.55 8.40 8.17 1ri6A1 ASP 35 HA -0.01 0.30 0.91 -0.75 4.63 5.07 1ri6A1 ASP 35 HB2 -0.01 -0.07 0.22 -0.04 2.71 2.82 1ri6A1 ASP 35 HB3 -0.00 0.06 0.06 -0.04 2.70 2.78 1ri6A1 VAL 36 H 0.02 0.56 0.20 -0.55 8.24 8.47 1ri6A1 VAL 36 HA 0.12 0.08 0.56 -0.75 4.13 4.13 1ri6A1 VAL 36 HB 0.05 0.14 0.01 -0.04 2.12 2.28 1ri6A1 VAL 36 HG13 0.15 -0.03 -0.23 -0.04 0.97 0.83 1ri6A1 VAL 36 HG23 -0.00 0.00 -0.24 -0.04 0.95 0.67 1ri6A1 PRO 37 HA -0.01 0.10 0.46 -0.51 4.44 4.48 1ri6A1 PRO 37 HB2 -0.06 -0.01 0.17 -0.04 2.28 2.34 1ri6A1 PRO 37 HB3 -0.08 0.02 0.08 -0.04 2.02 2.00 1ri6A1 PRO 37 HG2 -0.01 0.02 -0.07 -0.04 2.03 1.92 1ri6A1 PRO 37 HG3 -0.18 0.01 0.02 -0.04 2.03 1.83 1ri6A1 PRO 37 HD2 0.13 0.05 0.08 -0.04 3.68 3.90 1ri6A1 PRO 37 HD3 0.02 0.17 0.16 -0.04 3.65 3.96 1ri6A1 GLY 38 H 0.03 0.73 -0.47 -0.55 8.43 8.17 1ri6A1 GLY 38 HA2 0.03 0.02 0.30 -0.51 4.01 3.85 1ri6A1 GLY 38 HA3 0.04 0.06 0.43 -0.51 4.01 4.03 1ri6A1 GLN 39 H 0.05 0.64 0.31 -0.55 8.47 8.92 1ri6A1 GLN 39 HA 0.06 0.17 0.75 -0.75 4.36 4.58 1ri6A1 GLN 39 HB2 0.07 -0.08 0.17 -0.04 2.15 2.27 1ri6A1 GLN 39 HB3 0.07 -0.04 0.01 -0.04 2.02 2.02 1ri6A1 GLN 39 HG2 0.06 0.24 -0.05 -0.04 2.40 2.61 1ri6A1 GLN 39 HG3 0.05 -0.05 0.04 -0.04 2.39 2.39 1ri6A1 GLN 39 HE21 0.04 -0.06 -0.02 -0.04 6.97 6.90 1ri6A1 GLN 39 HE22 0.04 0.03 0.01 -0.04 7.69 7.73 1ri6A1 VAL 40 H 0.05 0.19 0.21 -0.55 8.24 8.14 1ri6A1 VAL 40 HA 0.03 0.29 0.60 -0.75 4.13 4.30 1ri6A1 VAL 40 HB 0.04 -0.01 -0.11 -0.04 2.12 2.00 1ri6A1 VAL 40 HG13 0.05 -0.03 -0.11 -0.04 0.97 0.84 1ri6A1 VAL 40 HG23 -0.02 0.01 -0.24 -0.04 0.95 0.66 1ri6A1 GLN 41 H -0.06 0.50 0.22 -0.55 8.47 8.58 1ri6A1 GLN 41 HA 0.06 0.10 0.86 -0.75 4.36 4.62 1ri6A1 GLN 41 HB2 -0.03 0.08 0.16 -0.04 2.15 2.32 1ri6A1 GLN 41 HB3 0.07 0.00 0.09 -0.04 2.02 2.14 1ri6A1 GLN 41 HG2 0.10 -0.00 -0.08 -0.04 2.40 2.37 1ri6A1 GLN 41 HG3 0.06 0.03 -0.55 -0.04 2.39 1.89 1ri6A1 GLN 41 HE21 0.10 -0.07 -0.03 -0.04 6.97 6.93 1ri6A1 GLN 41 HE22 0.11 0.01 -0.02 -0.04 7.69 7.75 1ri6A1 PRO 42 HA -3.01 0.09 0.56 -0.51 4.44 1.57 1ri6A1 PRO 42 HB2 -0.83 -0.05 -0.06 -0.04 2.28 1.30 1ri6A1 PRO 42 HB3 -0.92 0.22 -0.00 -0.04 2.02 1.27 1ri6A1 PRO 42 HG2 -0.32 -0.16 0.01 -0.04 2.03 1.52 1ri6A1 PRO 42 HG3 -0.23 0.10 -0.30 -0.04 2.03 1.56 1ri6A1 PRO 42 HD2 -0.17 0.02 0.26 -0.04 3.68 3.75 1ri6A1 PRO 42 HD3 -0.17 0.27 0.21 -0.04 3.65 3.92 1ri6A1 MET 43 H -1.70 0.26 0.27 -0.55 8.47 6.76 1ri6A1 MET 43 HA -0.24 0.33 0.88 -0.75 4.52 4.74 1ri6A1 MET 43 HB2 0.02 -0.06 -0.13 -0.04 2.15 1.93 1ri6A1 MET 43 HB3 -0.09 -0.02 -0.09 -0.04 2.03 1.79 1ri6A1 MET 43 HG2 -0.18 0.09 -0.31 -0.04 2.63 2.18 1ri6A1 MET 43 HG3 -0.29 0.11 -0.45 -0.04 2.56 1.90 1ri6A1 MET 43 HE3 0.27 -0.04 -0.44 -0.04 2.10 1.85 1ri6A1 VAL 44 H -0.02 0.56 0.25 -0.55 8.24 8.48 1ri6A1 VAL 44 HA 0.13 0.08 0.64 -0.75 4.13 4.22 1ri6A1 VAL 44 HB 0.07 0.19 -0.16 -0.04 2.12 2.17 1ri6A1 VAL 44 HG13 0.14 -0.04 -0.25 -0.04 0.97 0.79 1ri6A1 VAL 44 HG23 0.13 0.03 0.09 -0.04 0.95 1.16 1ri6A1 VAL 45 H 0.08 0.15 0.17 -0.55 8.24 8.09 1ri6A1 VAL 45 HA -0.11 0.17 0.85 -0.75 4.13 4.29 1ri6A1 VAL 45 HB 0.07 -0.00 0.12 -0.04 2.12 2.27 1ri6A1 VAL 45 HG13 -0.01 0.09 -0.02 -0.04 0.97 0.99 1ri6A1 VAL 45 HG23 0.01 -0.02 -0.09 -0.04 0.95 0.81 1ri6A1 SER 46 H -0.13 0.65 0.32 -0.55 8.46 8.75 1ri6A1 SER 46 HA 0.18 0.12 0.44 -0.75 4.49 4.47 1ri6A1 SER 46 HB2 0.16 0.02 0.11 -0.04 3.95 4.20 1ri6A1 SER 46 HB3 -0.05 0.10 0.10 -0.04 3.93 4.04 1ri6A1 PRO 47 HA 0.08 0.13 0.46 -0.51 4.44 4.60 1ri6A1 PRO 47 HB2 0.08 -0.02 -0.02 -0.04 2.28 2.27 1ri6A1 PRO 47 HB3 0.10 0.15 0.12 -0.04 2.02 2.35 1ri6A1 PRO 47 HG2 0.09 -0.07 -0.06 -0.04 2.03 1.94 1ri6A1 PRO 47 HG3 0.10 0.09 0.09 -0.04 2.03 2.27 1ri6A1 PRO 47 HD2 0.11 0.03 0.20 -0.04 3.68 3.98 1ri6A1 PRO 47 HD3 0.14 0.15 0.22 -0.04 3.65 4.11 1ri6A1 ASP 48 H 0.06 0.05 -0.21 -0.55 8.40 7.75 1ri6A1 ASP 48 HA 0.02 0.21 0.60 -0.75 4.63 4.71 1ri6A1 ASP 48 HB2 0.01 0.04 0.13 -0.04 2.71 2.86 1ri6A1 ASP 48 HB3 0.03 0.04 0.04 -0.04 2.70 2.77 1ri6A1 LYS 49 H 0.01 0.41 -0.62 -0.55 8.42 7.68 1ri6A1 LYS 49 HA -0.04 0.06 0.26 -0.75 4.32 3.85 1ri6A1 LYS 49 HB2 -0.03 0.19 -0.11 -0.04 1.87 1.88 1ri6A1 LYS 49 HB3 -0.04 -0.03 0.13 -0.04 1.79 1.81 1ri6A1 LYS 49 HG2 0.01 -0.04 0.01 -0.04 1.46 1.40 1ri6A1 LYS 49 HG3 0.01 0.11 -0.24 -0.04 1.46 1.30 1ri6A1 LYS 49 HD2 0.00 -0.04 -0.01 -0.04 1.69 1.60 1ri6A1 LYS 49 HD3 0.02 0.10 0.08 -0.04 1.68 1.83 1ri6A1 LYS 49 HE2 -0.04 -0.12 0.12 -0.04 2.99 2.90 1ri6A1 LYS 49 HE3 -0.01 0.04 0.06 -0.04 2.99 3.03 1ri6A1 ARG 50 H -0.05 -0.06 -0.44 -0.55 8.46 7.35 1ri6A1 ARG 50 HA -0.24 0.24 0.62 -0.75 4.34 4.20 1ri6A1 ARG 50 HB2 -0.08 -0.08 -0.01 -0.04 1.90 1.68 1ri6A1 ARG 50 HB3 -0.55 0.00 0.00 -0.04 1.80 1.21 1ri6A1 ARG 50 HG2 -0.13 0.06 -0.01 -0.04 1.67 1.54 1ri6A1 ARG 50 HG3 -0.06 0.06 -0.08 -0.04 1.67 1.55 1ri6A1 ARG 50 HD2 -0.10 -0.00 -0.02 -0.04 3.22 3.06 1ri6A1 ARG 50 HD3 -0.03 -0.00 -0.02 -0.04 3.22 3.13 1ri6A1 TYR 51 H -0.10 -0.02 -0.03 -0.55 8.29 7.59 1ri6A1 TYR 51 HA -0.20 0.34 1.00 -0.75 4.56 4.95 1ri6A1 TYR 51 HB2 -0.53 -0.09 -0.06 -0.04 3.06 2.34 1ri6A1 TYR 51 HB3 -0.51 0.01 -0.10 -0.04 2.98 2.33 1ri6A1 TYR 51 HD2 -0.09 -0.08 -0.38 -0.04 7.15 6.57 1ri6A1 TYR 51 HE2 -0.06 0.01 -0.13 -0.04 6.85 6.62 1ri6A1 LEU 52 H -0.12 0.66 0.24 -0.55 8.37 8.61 1ri6A1 LEU 52 HA -0.28 0.18 0.87 -0.75 4.35 4.37 1ri6A1 LEU 52 HB2 -0.35 0.02 -0.14 -0.04 1.64 1.12 1ri6A1 LEU 52 HB3 -0.15 -0.04 0.05 -0.04 1.64 1.46 1ri6A1 LEU 52 HG -0.16 0.05 -0.40 -0.04 1.64 1.10 1ri6A1 LEU 52 HD13 -0.29 0.02 -0.29 -0.04 0.93 0.33 1ri6A1 LEU 52 HD23 -0.45 -0.01 -0.21 -0.04 0.89 0.18 1ri6A1 TYR 53 H -0.17 0.64 0.25 -0.55 8.29 8.45 1ri6A1 TYR 53 HA -0.00 0.31 0.94 -0.75 4.56 5.06 1ri6A1 TYR 53 HB2 -0.05 -0.02 0.02 -0.04 3.06 2.97 1ri6A1 TYR 53 HB3 -0.06 -0.00 -0.06 -0.04 2.98 2.81 1ri6A1 TYR 53 HD2 -0.06 0.03 -0.18 -0.04 7.15 6.90 1ri6A1 TYR 53 HE2 -0.16 0.07 -0.08 -0.04 6.85 6.64 1ri6A1 VAL 54 H 0.12 0.57 0.37 -0.55 8.24 8.75 1ri6A1 VAL 54 HA -0.10 0.32 0.96 -0.75 4.13 4.56 1ri6A1 VAL 54 HB -0.05 0.09 0.00 -0.04 2.12 2.12 1ri6A1 VAL 54 HG13 -0.04 -0.01 -0.36 -0.04 0.97 0.52 1ri6A1 VAL 54 HG23 0.17 0.00 -0.21 -0.04 0.95 0.88 1ri6A1 GLY 55 H -0.14 0.51 0.24 -0.55 8.43 8.49 1ri6A1 GLY 55 HA2 -0.00 0.32 1.11 -0.51 4.01 4.93 1ri6A1 GLY 55 HA3 -0.07 -0.00 0.37 -0.51 4.01 3.80 1ri6A1 VAL 56 H 0.06 0.42 0.33 -0.55 8.24 8.51 1ri6A1 VAL 56 HA 0.06 0.40 0.77 -0.75 4.13 4.61 1ri6A1 VAL 56 HB 0.07 -0.06 -0.22 -0.04 2.12 1.87 1ri6A1 VAL 56 HG13 0.08 -0.02 -0.57 -0.04 0.97 0.43 1ri6A1 VAL 56 HG23 0.08 0.06 -0.19 -0.04 0.95 0.86 1ri6A1 ARG 57 H 0.10 0.40 0.21 -0.55 8.46 8.62 1ri6A1 ARG 57 HA 0.18 0.04 0.25 -0.75 4.34 4.06 1ri6A1 ARG 57 HB2 0.30 -0.02 0.05 -0.04 1.90 2.18 1ri6A1 ARG 57 HB3 0.37 0.01 -0.19 -0.04 1.80 1.95 1ri6A1 ARG 57 HG2 0.12 0.11 0.03 -0.04 1.67 1.89 1ri6A1 ARG 57 HG3 0.12 0.01 -0.20 -0.04 1.67 1.56 1ri6A1 ARG 57 HD2 0.13 0.01 -0.11 -0.04 3.22 3.21 1ri6A1 ARG 57 HD3 0.11 0.03 -0.07 -0.04 3.22 3.26 1ri6A1 PRO 58 HA -0.04 0.04 0.30 -0.51 4.44 4.23 1ri6A1 PRO 58 HB2 -0.10 0.04 0.08 -0.04 2.28 2.26 1ri6A1 PRO 58 HB3 -0.02 0.03 0.11 -0.04 2.02 2.11 1ri6A1 PRO 58 HG2 -0.04 0.05 -0.05 -0.04 2.03 1.95 1ri6A1 PRO 58 HG3 -0.02 0.05 0.06 -0.04 2.03 2.09 1ri6A1 PRO 58 HD2 0.01 0.16 0.29 -0.04 3.68 4.09 1ri6A1 PRO 58 HD3 0.02 0.10 0.28 -0.04 3.65 4.02 1ri6A1 GLU 59 H -0.03 0.20 -0.22 -0.55 8.60 8.01 1ri6A1 GLU 59 HA -0.21 0.17 0.86 -0.75 4.29 4.36 1ri6A1 GLU 59 HB2 -0.06 -0.01 -0.03 -0.04 2.09 1.95 1ri6A1 GLU 59 HB3 -0.02 0.04 0.06 -0.04 1.99 2.03 1ri6A1 GLU 59 HG2 -0.03 0.07 -0.21 -0.04 2.34 2.13 1ri6A1 GLU 59 HG3 -0.06 -0.00 -0.02 -0.04 2.34 2.21 1ri6A1 PHE 60 H -0.40 0.17 -0.07 -0.55 8.34 7.49 1ri6A1 PHE 60 HA 0.01 0.29 0.46 -0.75 4.62 4.63 1ri6A1 PHE 60 HB2 0.01 0.10 0.05 -0.04 3.15 3.27 1ri6A1 PHE 60 HB3 0.01 0.10 -0.16 -0.04 3.06 2.97 1ri6A1 PHE 60 HD2 0.01 0.19 -0.18 -0.04 7.28 7.26 1ri6A1 PHE 60 HE2 0.03 0.00 -0.02 -0.04 7.38 7.35 1ri6A1 PHE 60 HZ 0.03 -0.01 0.00 -0.04 7.32 7.31 1ri6A1 ARG 61 H 0.14 0.33 0.37 -0.55 8.46 8.76 1ri6A1 ARG 61 HA 0.07 0.11 0.81 -0.75 4.34 4.58 1ri6A1 ARG 61 HB2 0.07 -0.01 -0.12 -0.04 1.90 1.80 1ri6A1 ARG 61 HB3 0.06 -0.02 -0.13 -0.04 1.80 1.67 1ri6A1 ARG 61 HG2 0.04 -0.08 -0.27 -0.04 1.67 1.32 1ri6A1 ARG 61 HG3 0.06 0.04 -0.92 -0.04 1.67 0.81 1ri6A1 ARG 61 HD2 0.05 -0.04 -0.18 -0.04 3.22 3.00 1ri6A1 ARG 61 HD3 0.02 -0.05 -0.18 -0.04 3.22 2.96 1ri6A1 VAL 62 H 0.02 0.70 0.33 -0.55 8.24 8.74 1ri6A1 VAL 62 HA 0.01 0.25 0.89 -0.75 4.13 4.53 1ri6A1 VAL 62 HB -0.04 -0.05 0.10 -0.04 2.12 2.08 1ri6A1 VAL 62 HG13 -0.05 -0.01 -0.24 -0.04 0.97 0.64 1ri6A1 VAL 62 HG23 -0.05 -0.01 -0.15 -0.04 0.95 0.70 1ri6A1 LEU 63 H 0.08 0.81 0.33 -0.55 8.37 9.05 1ri6A1 LEU 63 HA 0.05 0.23 1.11 -0.75 4.35 4.99 1ri6A1 LEU 63 HB2 0.25 -0.04 0.02 -0.04 1.64 1.82 1ri6A1 LEU 63 HB3 0.11 0.01 -0.02 -0.04 1.64 1.70 1ri6A1 LEU 63 HG 0.13 0.03 -0.28 -0.04 1.64 1.47 1ri6A1 LEU 63 HD13 0.21 -0.00 -0.19 -0.04 0.93 0.90 1ri6A1 LEU 63 HD23 0.18 0.02 -0.21 -0.04 0.89 0.84 1ri6A1 ALA 64 H -0.21 0.68 0.30 -0.55 8.40 8.62 1ri6A1 ALA 64 HA 0.09 0.24 0.93 -0.75 4.34 4.84 1ri6A1 ALA 64 HB3 -0.13 -0.01 0.02 -0.04 1.41 1.24 1ri6A1 TYR 65 H 0.12 0.64 0.27 -0.55 8.29 8.77 1ri6A1 TYR 65 HA -0.03 0.17 0.94 -0.75 4.56 4.89 1ri6A1 TYR 65 HB2 -0.07 0.05 0.06 -0.04 3.06 3.05 1ri6A1 TYR 65 HB3 -0.03 -0.00 -0.15 -0.04 2.98 2.76 1ri6A1 TYR 65 HD2 0.03 0.03 -0.38 -0.04 7.15 6.79 1ri6A1 TYR 65 HE2 0.11 0.00 -0.18 -0.04 6.85 6.74 1ri6A1 ARG 66 H 0.06 0.61 0.24 -0.55 8.46 8.82 1ri6A1 ARG 66 HA -0.32 0.18 0.62 -0.75 4.34 4.07 1ri6A1 ARG 66 HB2 -0.01 -0.01 0.07 -0.04 1.90 1.92 1ri6A1 ARG 66 HB3 -0.03 -0.06 0.09 -0.04 1.80 1.75 1ri6A1 ARG 66 HG2 -0.12 -0.07 -0.08 -0.04 1.67 1.36 1ri6A1 ARG 66 HG3 -0.20 0.09 -0.22 -0.04 1.67 1.29 1ri6A1 ARG 66 HD2 -1.03 0.17 0.08 -0.04 3.22 2.40 1ri6A1 ARG 66 HD3 -0.28 -0.06 -0.02 -0.04 3.22 2.83 1ri6A1 ILE 67 H -0.29 0.71 0.23 -0.55 8.25 8.35 1ri6A1 ILE 67 HA -0.06 0.25 0.73 -0.75 4.18 4.35 1ri6A1 ILE 67 HB -0.17 0.13 -0.08 -0.04 1.89 1.73 1ri6A1 ILE 67 HG12 -0.17 0.03 -0.28 -0.04 1.49 1.03 1ri6A1 ILE 67 HG13 -0.17 -0.05 -0.38 -0.04 1.21 0.58 1ri6A1 ILE 67 HG23 -0.07 -0.01 -0.34 -0.04 0.93 0.48 1ri6A1 ILE 67 HD13 -0.17 -0.03 -0.37 -0.04 0.88 0.27 1ri6A1 ALA 68 H -0.04 0.67 0.01 -0.55 8.40 8.50 1ri6A1 ALA 68 HA -0.07 0.12 0.43 -0.75 4.34 4.07 1ri6A1 ALA 68 HB3 -0.03 -0.08 0.08 -0.04 1.41 1.33 1ri6A1 PRO 69 HA -0.16 0.16 0.35 -0.51 4.44 4.27 1ri6A1 PRO 69 HB2 -0.03 0.03 0.03 -0.04 2.28 2.27 1ri6A1 PRO 69 HB3 -0.07 0.09 0.11 -0.04 2.02 2.11 1ri6A1 PRO 69 HG2 -0.03 -0.04 0.04 -0.04 2.03 1.95 1ri6A1 PRO 69 HG3 -0.05 0.04 0.07 -0.04 2.03 2.05 1ri6A1 PRO 69 HD2 -0.06 -0.02 0.24 -0.04 3.68 3.80 1ri6A1 PRO 69 HD3 -0.09 0.32 0.26 -0.04 3.65 4.10 1ri6A1 ASP 70 H -0.03 -0.06 -0.46 -0.55 8.40 7.31 1ri6A1 ASP 70 HA 0.06 0.23 0.61 -0.75 4.63 4.78 1ri6A1 ASP 70 HB2 0.00 0.00 0.02 -0.04 2.71 2.70 1ri6A1 ASP 70 HB3 0.00 -0.14 0.08 -0.04 2.70 2.61 1ri6A1 ASP 71 H -0.00 -0.02 -0.00 -0.55 8.40 7.83 1ri6A1 ASP 71 HA 0.09 0.30 0.86 -0.75 4.63 5.12 1ri6A1 ASP 71 HB2 0.01 0.04 0.10 -0.04 2.71 2.81 1ri6A1 ASP 71 HB3 0.02 0.01 -0.05 -0.04 2.70 2.64 1ri6A1 GLY 72 H -0.07 0.37 -0.16 -0.55 8.43 8.03 1ri6A1 GLY 72 HA2 -0.05 0.19 0.18 -0.51 4.01 3.81 1ri6A1 GLY 72 HA3 0.01 0.04 0.27 -0.51 4.01 3.81 1ri6A1 ALA 73 H -0.01 -0.10 -0.34 -0.55 8.40 7.41 1ri6A1 ALA 73 HA 0.01 0.06 0.29 -0.75 4.34 3.95 1ri6A1 ALA 73 HB3 -0.01 0.00 -0.02 -0.04 1.41 1.35 1ri6A1 LEU 74 H 0.02 0.09 0.12 -0.55 8.37 8.05 1ri6A1 LEU 74 HA 0.05 0.52 1.00 -0.75 4.35 5.16 1ri6A1 LEU 74 HB2 -0.06 -0.08 -0.02 -0.04 1.64 1.43 1ri6A1 LEU 74 HB3 -0.01 -0.03 -0.12 -0.04 1.64 1.44 1ri6A1 LEU 74 HG 0.14 0.03 -0.17 -0.04 1.64 1.59 1ri6A1 LEU 74 HD13 -0.19 -0.02 -0.17 -0.04 0.93 0.51 1ri6A1 LEU 74 HD23 -0.17 0.03 -0.26 -0.04 0.89 0.46 1ri6A1 THR 75 H 0.16 0.43 0.18 -0.55 8.28 8.51 1ri6A1 THR 75 HA 0.20 0.11 0.78 -0.75 4.39 4.72 1ri6A1 THR 75 HB 0.07 0.07 0.01 -0.04 4.32 4.44 1ri6A1 THR 75 HG23 0.05 -0.01 -0.24 -0.04 1.22 0.98 1ri6A1 PHE 76 H 0.25 0.12 0.11 -0.55 8.34 8.27 1ri6A1 PHE 76 HA -0.68 0.04 0.45 -0.75 4.62 3.68 1ri6A1 PHE 76 HB2 -0.17 0.01 0.10 -0.04 3.15 3.04 1ri6A1 PHE 76 HB3 -0.08 -0.01 0.10 -0.04 3.06 3.03 1ri6A1 PHE 76 HD2 -0.33 -0.01 -0.14 -0.04 7.28 6.76 1ri6A1 PHE 76 HE2 -0.11 0.01 -0.15 -0.04 7.38 7.09 1ri6A1 PHE 76 HZ -0.08 -0.04 -0.29 -0.04 7.32 6.86 1ri6A1 ALA 77 H -0.96 0.47 0.49 -0.55 8.40 7.86 1ri6A1 ALA 77 HA -0.26 0.16 1.00 -0.75 4.34 4.49 1ri6A1 ALA 77 HB3 -0.09 -0.00 -0.01 -0.04 1.41 1.27 1ri6A1 ALA 78 H -0.91 0.35 0.42 -0.55 8.40 7.72 1ri6A1 ALA 78 HA -0.38 0.13 0.59 -0.75 4.34 3.92 1ri6A1 ALA 78 HB3 -0.22 0.04 -0.01 -0.04 1.41 1.18 1ri6A1 GLU 79 H -0.03 0.34 0.25 -0.55 8.60 8.60 1ri6A1 GLU 79 HA 0.02 0.32 0.92 -0.75 4.29 4.79 1ri6A1 GLU 79 HB2 0.12 0.03 0.00 -0.04 2.09 2.20 1ri6A1 GLU 79 HB3 0.39 0.00 -0.16 -0.04 1.99 2.17 1ri6A1 GLU 79 HG2 0.18 -0.05 0.02 -0.04 2.34 2.45 1ri6A1 GLU 79 HG3 0.07 -0.01 -0.19 -0.04 2.34 2.18 1ri6A1 SER 80 H 0.01 0.56 0.30 -0.55 8.46 8.78 1ri6A1 SER 80 HA -0.01 0.12 0.79 -0.75 4.49 4.63 1ri6A1 SER 80 HB2 -0.06 0.15 -0.27 -0.04 3.95 3.73 1ri6A1 SER 80 HB3 -0.05 -0.05 0.00 -0.04 3.93 3.79 1ri6A1 ALA 81 H 0.01 0.12 0.11 -0.55 8.40 8.09 1ri6A1 ALA 81 HA 0.04 0.22 0.68 -0.75 4.34 4.53 1ri6A1 ALA 81 HB3 0.02 0.01 0.06 -0.04 1.41 1.46 1ri6A1 LEU 82 H 0.09 0.62 0.16 -0.55 8.37 8.69 1ri6A1 LEU 82 HA 0.02 0.14 0.76 -0.75 4.35 4.51 1ri6A1 LEU 82 HB2 0.06 0.00 -0.20 -0.04 1.64 1.46 1ri6A1 LEU 82 HB3 -0.00 -0.04 -0.11 -0.04 1.64 1.45 1ri6A1 LEU 82 HG -0.02 0.00 -0.21 -0.04 1.64 1.37 1ri6A1 LEU 82 HD13 -0.02 -0.00 -0.11 -0.04 0.93 0.75 1ri6A1 LEU 82 HD23 -0.01 0.01 -0.44 -0.04 0.89 0.41 1ri6A1 PRO 83 HA 0.08 0.11 0.47 -0.51 4.44 4.59 1ri6A1 PRO 83 HB2 0.02 0.02 -0.06 -0.04 2.28 2.22 1ri6A1 PRO 83 HB3 0.02 0.03 0.03 -0.04 2.02 2.06 1ri6A1 PRO 83 HG2 -0.01 -0.04 -0.03 -0.04 2.03 1.91 1ri6A1 PRO 83 HG3 -0.01 0.04 -0.04 -0.04 2.03 1.98 1ri6A1 PRO 83 HD2 -0.00 0.10 0.11 -0.04 3.68 3.85 1ri6A1 PRO 83 HD3 0.00 0.14 0.09 -0.04 3.65 3.85 1ri6A1 GLY 84 H -0.03 0.14 -0.18 -0.55 8.43 7.81 1ri6A1 GLY 84 HA2 0.03 0.24 0.82 -0.51 4.01 4.59 1ri6A1 GLY 84 HA3 -0.11 -0.08 0.22 -0.51 4.01 3.52 1ri6A1 SER 85 H -0.65 0.02 0.10 -0.55 8.46 7.39 1ri6A1 SER 85 HA -1.56 0.11 0.35 -0.75 4.49 2.65 1ri6A1 SER 85 HB2 -0.24 0.13 -0.03 -0.04 3.95 3.77 1ri6A1 SER 85 HB3 -0.44 0.04 0.11 -0.04 3.93 3.61 1ri6A1 LEU 86 H -0.23 0.19 0.07 -0.55 8.37 7.85 1ri6A1 LEU 86 HA -0.09 0.15 0.65 -0.75 4.35 4.31 1ri6A1 LEU 86 HB2 -0.07 -0.04 0.17 -0.04 1.64 1.66 1ri6A1 LEU 86 HB3 -0.09 0.06 -0.01 -0.04 1.64 1.56 1ri6A1 LEU 86 HG -0.07 0.01 -0.14 -0.04 1.64 1.40 1ri6A1 LEU 86 HD13 -0.04 -0.02 -0.01 -0.04 0.93 0.83 1ri6A1 LEU 86 HD23 -0.04 -0.01 -0.12 -0.04 0.89 0.68 1ri6A1 THR 87 H -0.02 0.47 0.32 -0.55 8.28 8.50 1ri6A1 THR 87 HA 0.03 0.04 0.53 -0.75 4.39 4.24 1ri6A1 THR 87 HB 0.04 0.15 0.02 -0.04 4.32 4.49 1ri6A1 THR 87 HG23 -0.24 0.04 0.06 -0.04 1.22 1.03 1ri6A1 HIS 88 H 0.13 0.33 0.17 -0.55 8.41 8.49 1ri6A1 HIS 88 HA 0.14 0.17 0.80 -0.75 4.63 4.99 1ri6A1 HIS 88 HB2 0.32 0.37 -0.08 -0.04 3.26 3.84 1ri6A1 HIS 88 HB3 0.15 -0.25 -0.04 -0.04 3.20 3.02 1ri6A1 HIS 88 HD2 0.13 -0.15 -0.08 -0.04 6.97 6.83 1ri6A1 HIS 88 HE1 -0.08 0.01 0.19 -0.04 7.75 7.82 1ri6A1 ILE 89 H -0.61 0.33 0.23 -0.55 8.25 7.65 1ri6A1 ILE 89 HA -0.02 0.31 0.90 -0.75 4.18 4.62 1ri6A1 ILE 89 HB -0.16 -0.02 -0.31 -0.04 1.89 1.35 1ri6A1 ILE 89 HG12 -0.03 0.02 -0.10 -0.04 1.49 1.33 1ri6A1 ILE 89 HG13 -0.05 0.06 0.01 -0.04 1.21 1.19 1ri6A1 ILE 89 HG23 -0.22 0.01 -0.37 -0.04 0.93 0.31 1ri6A1 ILE 89 HD13 -0.04 -0.00 -0.33 -0.04 0.88 0.47 1ri6A1 SER 90 H 0.06 0.54 0.38 -0.55 8.46 8.90 1ri6A1 SER 90 HA 0.09 0.10 0.50 -0.75 4.49 4.42 1ri6A1 SER 90 HB2 0.20 -0.03 0.31 -0.04 3.95 4.38 1ri6A1 SER 90 HB3 0.18 0.14 0.03 -0.04 3.93 4.24 1ri6A1 THR 91 H 0.15 0.29 0.27 -0.55 8.28 8.44 1ri6A1 THR 91 HA -0.10 0.19 1.05 -0.75 4.39 4.77 1ri6A1 THR 91 HB -0.02 -0.05 0.26 -0.04 4.32 4.46 1ri6A1 THR 91 HG23 0.07 -0.02 -0.21 -0.04 1.22 1.03 1ri6A1 ASP 92 H 0.01 0.17 0.28 -0.55 8.40 8.31 1ri6A1 ASP 92 HA 0.25 0.17 0.66 -0.75 4.63 4.95 1ri6A1 ASP 92 HB2 0.27 0.11 0.19 -0.04 2.71 3.23 1ri6A1 ASP 92 HB3 0.41 0.08 0.09 -0.04 2.70 3.24 1ri6A1 HIS 93 H 0.08 0.20 0.18 -0.55 8.41 8.32 1ri6A1 HIS 93 HA 0.09 0.17 0.45 -0.75 4.63 4.59 1ri6A1 HIS 93 HB2 0.06 -0.02 0.11 -0.04 3.26 3.37 1ri6A1 HIS 93 HB3 0.05 0.06 0.09 -0.04 3.20 3.35 1ri6A1 HIS 93 HD2 0.03 -0.10 0.02 -0.04 6.97 6.87 1ri6A1 HIS 93 HE1 0.03 0.00 0.02 -0.04 7.75 7.76 1ri6A1 GLN 94 H 0.14 -0.02 -0.21 -0.55 8.47 7.83 1ri6A1 GLN 94 HA 0.08 0.26 0.73 -0.75 4.36 4.66 1ri6A1 GLN 94 HB2 0.06 -0.09 0.02 -0.04 2.15 2.11 1ri6A1 GLN 94 HB3 0.03 0.05 0.09 -0.04 2.02 2.15 1ri6A1 GLN 94 HG2 0.12 -0.07 -0.03 -0.04 2.40 2.37 1ri6A1 GLN 94 HG3 0.07 0.04 0.00 -0.04 2.39 2.47 1ri6A1 GLN 94 HE21 0.05 0.03 -0.05 -0.04 6.97 6.96 1ri6A1 GLN 94 HE22 0.07 -0.01 -0.08 -0.04 7.69 7.63 1ri6A1 GLY 95 H 0.06 0.27 -0.30 -0.55 8.43 7.90 1ri6A1 GLY 95 HA2 0.02 0.07 0.31 -0.51 4.01 3.90 1ri6A1 GLY 95 HA3 0.03 0.06 0.43 -0.51 4.01 4.02 1ri6A1 GLN 96 H -0.09 -0.08 -0.08 -0.55 8.47 7.67 1ri6A1 GLN 96 HA -0.32 0.26 0.84 -0.75 4.36 4.39 1ri6A1 GLN 96 HB2 -0.33 -0.07 0.02 -0.04 2.15 1.72 1ri6A1 GLN 96 HB3 -0.84 0.05 0.06 -0.04 2.02 1.25 1ri6A1 GLN 96 HG2 -0.09 -0.03 -0.25 -0.04 2.40 1.99 1ri6A1 GLN 96 HG3 -0.11 0.02 -0.03 -0.04 2.39 2.23 1ri6A1 GLN 96 HE21 -0.07 -0.08 -0.02 -0.04 6.97 6.76 1ri6A1 GLN 96 HE22 -0.06 0.21 -0.17 -0.04 7.69 7.62 1ri6A1 PHE 97 H -0.15 -0.06 0.13 -0.55 8.34 7.70 1ri6A1 PHE 97 HA -0.26 0.35 0.95 -0.75 4.62 4.90 1ri6A1 PHE 97 HB2 -0.55 -0.12 -0.06 -0.04 3.15 2.38 1ri6A1 PHE 97 HB3 -0.50 0.06 -0.06 -0.04 3.06 2.52 1ri6A1 PHE 97 HD2 -0.07 -0.04 -0.17 -0.04 7.28 6.96 1ri6A1 PHE 97 HE2 0.00 0.06 -0.15 -0.04 7.38 7.26 1ri6A1 PHE 97 HZ 0.01 0.08 -0.18 -0.04 7.32 7.19 1ri6A1 VAL 98 H -0.23 0.61 0.28 -0.55 8.24 8.35 1ri6A1 VAL 98 HA -0.29 0.26 1.05 -0.75 4.13 4.40 1ri6A1 VAL 98 HB -0.28 -0.04 0.06 -0.04 2.12 1.82 1ri6A1 VAL 98 HG13 -0.15 0.00 -0.24 -0.04 0.97 0.54 1ri6A1 VAL 98 HG23 -0.60 0.00 -0.19 -0.04 0.95 0.12 1ri6A1 PHE 99 H -0.06 0.68 0.21 -0.55 8.34 8.62 1ri6A1 PHE 99 HA -0.01 0.28 0.97 -0.75 4.62 5.11 1ri6A1 PHE 99 HB2 0.07 0.00 -0.11 -0.04 3.15 3.07 1ri6A1 PHE 99 HB3 0.04 -0.01 -0.13 -0.04 3.06 2.92 1ri6A1 PHE 99 HD2 0.01 0.07 -0.32 -0.04 7.28 7.00 1ri6A1 PHE 99 HE2 -0.03 0.01 -0.33 -0.04 7.38 6.99 1ri6A1 PHE 99 HZ 0.04 0.02 -0.17 -0.04 7.32 7.16 1ri6A1 VAL 100 H 0.12 0.54 0.26 -0.55 8.24 8.61 1ri6A1 VAL 100 HA 0.08 0.33 1.05 -0.75 4.13 4.84 1ri6A1 VAL 100 HB 0.00 -0.10 0.02 -0.04 2.12 2.01 1ri6A1 VAL 100 HG13 -0.02 0.03 -0.23 -0.04 0.97 0.70 1ri6A1 VAL 100 HG23 -0.03 0.01 -0.30 -0.04 0.95 0.59 1ri6A1 GLY 101 H 0.15 0.35 0.08 -0.55 8.43 8.46 1ri6A1 GLY 101 HA2 0.06 0.20 0.88 -0.51 4.01 4.65 1ri6A1 GLY 101 HA3 0.12 -0.01 0.08 -0.51 4.01 3.69 1ri6A1 SER 102 H 0.01 0.77 0.29 -0.55 8.46 8.99 1ri6A1 SER 102 HA -0.03 0.15 1.10 -0.75 4.49 4.96 1ri6A1 SER 102 HB2 -0.07 0.11 -0.20 -0.04 3.95 3.75 1ri6A1 SER 102 HB3 -0.04 -0.10 0.05 -0.04 3.93 3.80 1ri6A1 TYR 103 H 0.07 0.15 0.15 -0.55 8.29 8.11 1ri6A1 TYR 103 HA -0.04 0.15 0.39 -0.75 4.56 4.30 1ri6A1 TYR 103 HB2 -0.25 0.16 0.12 -0.04 3.06 3.05 1ri6A1 TYR 103 HB3 -0.08 -0.12 0.17 -0.04 2.98 2.91 1ri6A1 TYR 103 HD2 0.00 0.09 -0.13 -0.04 7.15 7.07 1ri6A1 TYR 103 HE2 0.13 0.01 0.00 -0.04 6.85 6.95 1ri6A1 ASN 104 H 0.11 0.09 0.07 -0.55 8.53 8.25 1ri6A1 ASN 104 HA 0.03 0.14 0.44 -0.75 4.76 4.61 1ri6A1 ASN 104 HB2 0.03 -0.13 0.16 -0.04 2.88 2.90 1ri6A1 ASN 104 HB3 0.07 0.08 -0.02 -0.04 2.79 2.88 1ri6A1 ASN 104 HD21 0.14 0.04 0.02 -0.04 7.03 7.18 1ri6A1 ASN 104 HD22 0.12 0.02 0.02 -0.04 7.74 7.86 1ri6A1 ALA 105 H -0.03 -0.00 -0.17 -0.55 8.40 7.65 1ri6A1 ALA 105 HA 0.00 0.14 0.45 -0.75 4.34 4.18 1ri6A1 ALA 105 HB3 -0.02 -0.00 -0.05 -0.04 1.41 1.30 1ri6A1 GLY 106 H -0.06 0.13 -0.62 -0.55 8.43 7.34 1ri6A1 GLY 106 HA2 -0.08 0.02 0.44 -0.51 4.01 3.89 1ri6A1 GLY 106 HA3 -0.06 -0.06 0.27 -0.51 4.01 3.65 1ri6A1 ASN 107 H -0.02 0.33 0.17 -0.55 8.53 8.46 1ri6A1 ASN 107 HA -0.02 0.16 0.62 -0.75 4.76 4.77 1ri6A1 ASN 107 HB2 -0.04 0.13 0.01 -0.04 2.88 2.94 1ri6A1 ASN 107 HB3 -0.02 0.02 -0.23 -0.04 2.79 2.51 1ri6A1 ASN 107 HD21 -0.02 -0.06 -0.22 -0.04 7.03 6.69 1ri6A1 ASN 107 HD22 -0.02 0.07 -0.23 -0.04 7.74 7.52 1ri6A1 VAL 108 H -0.07 0.46 0.32 -0.55 8.24 8.41 1ri6A1 VAL 108 HA 0.00 0.33 0.95 -0.75 4.13 4.66 1ri6A1 VAL 108 HB -0.01 0.02 -0.13 -0.04 2.12 1.96 1ri6A1 VAL 108 HG13 -0.26 0.01 -0.04 -0.04 0.97 0.63 1ri6A1 VAL 108 HG23 0.00 0.00 -0.21 -0.04 0.95 0.71 1ri6A1 SER 109 H 0.01 0.55 0.33 -0.55 8.46 8.80 1ri6A1 SER 109 HA -0.06 0.23 1.08 -0.75 4.49 4.99 1ri6A1 SER 109 HB2 -0.04 0.05 0.12 -0.04 3.95 4.04 1ri6A1 SER 109 HB3 -0.04 -0.05 -0.07 -0.04 3.93 3.73 1ri6A1 VAL 110 H -0.05 0.60 0.39 -0.55 8.24 8.64 1ri6A1 VAL 110 HA -0.02 0.27 1.02 -0.75 4.13 4.64 1ri6A1 VAL 110 HB -0.09 -0.09 0.19 -0.04 2.12 2.10 1ri6A1 VAL 110 HG13 -0.25 0.01 -0.14 -0.04 0.97 0.55 1ri6A1 VAL 110 HG23 0.09 0.02 -0.22 -0.04 0.95 0.80 1ri6A1 THR 111 H -0.11 0.67 0.33 -0.55 8.28 8.63 1ri6A1 THR 111 HA -0.03 0.21 1.04 -0.75 4.39 4.86 1ri6A1 THR 111 HB -0.13 -0.01 0.08 -0.04 4.32 4.21 1ri6A1 THR 111 HG23 -0.11 0.01 -0.20 -0.04 1.22 0.89 1ri6A1 ARG 112 H 0.01 0.59 0.26 -0.55 8.46 8.76 1ri6A1 ARG 112 HA 0.03 0.13 0.65 -0.75 4.34 4.39 1ri6A1 ARG 112 HB2 0.11 0.01 0.02 -0.04 1.90 2.00 1ri6A1 ARG 112 HB3 -0.01 -0.01 0.03 -0.04 1.80 1.76 1ri6A1 ARG 112 HG2 -0.10 -0.03 -0.41 -0.04 1.67 1.09 1ri6A1 ARG 112 HG3 -0.15 0.08 -0.01 -0.04 1.67 1.55 1ri6A1 ARG 112 HD2 -0.03 -0.01 -0.07 -0.04 3.22 3.07 1ri6A1 ARG 112 HD3 0.07 0.01 -0.06 -0.04 3.22 3.20 1ri6A1 LEU 113 H -0.33 0.67 0.26 -0.55 8.37 8.43 1ri6A1 LEU 113 HA -0.20 0.21 0.52 -0.75 4.35 4.13 1ri6A1 LEU 113 HB2 -0.27 0.06 -0.16 -0.04 1.64 1.23 1ri6A1 LEU 113 HB3 -0.19 -0.12 -0.34 -0.04 1.64 0.95 1ri6A1 LEU 113 HG -0.32 -0.04 -0.47 -0.04 1.64 0.78 1ri6A1 LEU 113 HD13 -0.30 -0.03 -0.42 -0.04 0.93 0.14 1ri6A1 LEU 113 HD23 -0.46 0.03 -0.51 -0.04 0.89 -0.08 1ri6A1 GLU 114 H -0.13 0.88 0.11 -0.55 8.60 8.91 1ri6A1 GLU 114 HA -0.10 0.12 0.91 -0.75 4.29 4.47 1ri6A1 GLU 114 HB2 -0.08 0.08 0.07 -0.04 2.09 2.11 1ri6A1 GLU 114 HB3 -0.07 0.00 0.02 -0.04 1.99 1.90 1ri6A1 GLU 114 HG2 -0.06 -0.02 0.01 -0.04 2.34 2.23 1ri6A1 GLU 114 HG3 -0.08 0.02 -0.17 -0.04 2.34 2.06 1ri6A1 ASP 115 H -0.07 0.22 0.07 -0.55 8.40 8.07 1ri6A1 ASP 115 HA -0.02 0.05 0.30 -0.75 4.63 4.21 1ri6A1 ASP 115 HB2 -0.03 -0.04 -0.09 -0.04 2.71 2.51 1ri6A1 ASP 115 HB3 -0.03 0.16 0.16 -0.04 2.70 2.96 1ri6A1 GLY 116 H -0.06 0.13 -0.34 -0.55 8.43 7.62 1ri6A1 GLY 116 HA2 0.03 0.02 0.18 -0.51 4.01 3.73 1ri6A1 GLY 116 HA3 0.02 0.10 0.35 -0.51 4.01 3.98 1ri6A1 LEU 117 H -0.17 0.42 -0.72 -0.55 8.37 7.35 1ri6A1 LEU 117 HA -0.29 0.19 0.82 -0.75 4.35 4.32 1ri6A1 LEU 117 HB2 -0.15 0.07 0.00 -0.04 1.64 1.52 1ri6A1 LEU 117 HB3 -0.19 0.04 -0.09 -0.04 1.64 1.36 1ri6A1 LEU 117 HG -0.25 0.09 -0.18 -0.04 1.64 1.26 1ri6A1 LEU 117 HD13 -0.11 -0.00 -0.06 -0.04 0.93 0.72 1ri6A1 LEU 117 HD23 -0.49 0.01 -0.22 -0.04 0.89 0.15 1ri6A1 PRO 118 HA -0.17 0.23 0.47 -0.51 4.44 4.45 1ri6A1 PRO 118 HB2 -0.12 -0.04 -0.11 -0.04 2.28 1.97 1ri6A1 PRO 118 HB3 -0.22 0.02 -0.09 -0.04 2.02 1.69 1ri6A1 PRO 118 HG2 -0.12 0.03 -0.11 -0.04 2.03 1.79 1ri6A1 PRO 118 HG3 -0.11 0.05 -0.19 -0.04 2.03 1.74 1ri6A1 PRO 118 HD2 -0.19 0.07 0.09 -0.04 3.68 3.61 1ri6A1 PRO 118 HD3 -0.17 0.18 0.03 -0.04 3.65 3.64 1ri6A1 VAL 119 H -0.10 0.65 0.30 -0.55 8.24 8.55 1ri6A1 VAL 119 HA -0.06 0.23 0.97 -0.75 4.13 4.52 1ri6A1 VAL 119 HB -0.04 -0.04 0.18 -0.04 2.12 2.18 1ri6A1 VAL 119 HG13 -0.07 0.03 -0.16 -0.04 0.97 0.73 1ri6A1 VAL 119 HG23 -0.06 0.04 -0.10 -0.04 0.95 0.79 1ri6A1 GLY 120 H -0.06 0.05 0.00 -0.55 8.43 7.88 1ri6A1 GLY 120 HA2 -0.03 0.02 0.33 -0.51 4.01 3.83 1ri6A1 GLY 120 HA3 -0.02 0.29 0.98 -0.51 4.01 4.75 1ri6A1 VAL 121 H -0.02 0.16 0.16 -0.55 8.24 8.00 1ri6A1 VAL 121 HA -0.03 0.15 0.79 -0.75 4.13 4.28 1ri6A1 VAL 121 HB -0.02 -0.00 0.11 -0.04 2.12 2.16 1ri6A1 VAL 121 HG13 -0.04 -0.01 -0.16 -0.04 0.97 0.72 1ri6A1 VAL 121 HG23 -0.02 0.00 -0.00 -0.04 0.95 0.89 1ri6A1 VAL 122 H -0.02 0.77 0.49 -0.55 8.24 8.93 1ri6A1 VAL 122 HA -0.00 0.13 0.72 -0.75 4.13 4.22 1ri6A1 VAL 122 HB -0.02 0.02 0.03 -0.04 2.12 2.11 1ri6A1 VAL 122 HG13 0.11 0.04 -0.05 -0.04 0.97 1.02 1ri6A1 VAL 122 HG23 0.13 -0.01 -0.07 -0.04 0.95 0.96 1ri6A1 ASP 123 H -0.09 0.25 0.31 -0.55 8.40 8.32 1ri6A1 ASP 123 HA -0.19 0.12 0.59 -0.75 4.63 4.40 1ri6A1 ASP 123 HB2 -0.51 0.14 -0.28 -0.04 2.71 2.02 1ri6A1 ASP 123 HB3 -0.20 0.03 0.01 -0.04 2.70 2.50 1ri6A1 VAL 124 H -0.13 0.30 0.23 -0.55 8.24 8.09 1ri6A1 VAL 124 HA -0.10 0.24 1.01 -0.75 4.13 4.52 1ri6A1 VAL 124 HB -0.06 -0.02 -0.00 -0.04 2.12 2.00 1ri6A1 VAL 124 HG13 -0.05 0.01 -0.19 -0.04 0.97 0.70 1ri6A1 VAL 124 HG23 -0.05 -0.02 -0.24 -0.04 0.95 0.59 1ri6A1 VAL 125 H -0.13 0.65 0.32 -0.55 8.24 8.53 1ri6A1 VAL 125 HA -0.09 0.15 1.03 -0.75 4.13 4.47 1ri6A1 VAL 125 HB -0.31 -0.06 0.17 -0.04 2.12 1.88 1ri6A1 VAL 125 HG13 0.03 0.04 -0.07 -0.04 0.97 0.92 1ri6A1 VAL 125 HG23 -0.43 -0.01 -0.13 -0.04 0.95 0.34 1ri6A1 GLU 126 H -0.03 0.13 0.12 -0.55 8.60 8.27 1ri6A1 GLU 126 HA -0.02 0.18 0.71 -0.75 4.29 4.41 1ri6A1 GLU 126 HB2 -0.01 0.01 0.04 -0.04 2.09 2.09 1ri6A1 GLU 126 HB3 -0.01 -0.02 0.17 -0.04 1.99 2.09 1ri6A1 GLU 126 HG2 -0.03 -0.04 -0.06 -0.04 2.34 2.17 1ri6A1 GLU 126 HG3 -0.01 0.02 0.00 -0.04 2.34 2.31 1ri6A1 GLY 127 H -0.01 0.22 0.21 -0.55 8.43 8.30 1ri6A1 GLY 127 HA2 -0.00 -0.01 0.37 -0.51 4.01 3.86 1ri6A1 GLY 127 HA3 0.01 0.07 0.48 -0.51 4.01 4.06 1ri6A1 LEU 128 H 0.00 0.50 -0.24 -0.55 8.37 8.08 1ri6A1 LEU 128 HA 0.02 0.15 0.69 -0.75 4.35 4.46 1ri6A1 LEU 128 HB2 0.02 -0.08 -0.14 -0.04 1.64 1.41 1ri6A1 LEU 128 HB3 0.05 -0.00 -0.08 -0.04 1.64 1.57 1ri6A1 LEU 128 HG 0.04 0.13 -0.30 -0.04 1.64 1.47 1ri6A1 LEU 128 HD13 0.09 -0.04 -0.12 -0.04 0.93 0.82 1ri6A1 LEU 128 HD23 0.15 0.01 -0.23 -0.04 0.89 0.77 1ri6A1 ASP 129 H -0.02 0.31 -0.23 -0.55 8.40 7.91 1ri6A1 ASP 129 HA -0.09 0.04 0.36 -0.75 4.63 4.19 1ri6A1 ASP 129 HB2 -0.03 -0.03 -0.00 -0.04 2.71 2.60 1ri6A1 ASP 129 HB3 -0.07 0.02 -0.03 -0.04 2.70 2.58 1ri6A1 GLY 130 H -0.26 0.30 0.32 -0.55 8.43 8.24 1ri6A1 GLY 130 HA2 -0.95 0.11 0.44 -0.51 4.01 3.10 1ri6A1 GLY 130 HA3 -0.27 -0.15 0.51 -0.51 4.01 3.59 1ri6A1 CYS 131 H -0.04 0.35 0.02 -0.55 8.50 8.28 1ri6A1 CYS 131 HA 0.09 0.19 0.48 -0.75 4.58 4.59 1ri6A1 CYS 131 HB2 0.03 0.08 -0.02 -0.04 2.97 3.02 1ri6A1 CYS 131 HB3 0.03 0.01 0.07 -0.04 2.97 3.03 1ri6A1 HIS 132 H 0.22 0.57 0.39 -0.55 8.41 9.05 1ri6A1 HIS 132 HA 0.23 0.09 0.98 -0.75 4.63 5.17 1ri6A1 HIS 132 HB2 0.21 0.02 0.18 -0.04 3.26 3.63 1ri6A1 HIS 132 HB3 0.17 0.21 0.19 -0.04 3.20 3.72 1ri6A1 HIS 132 HD2 0.20 -0.04 0.04 -0.04 6.97 7.12 1ri6A1 HIS 132 HE1 0.08 0.03 0.09 -0.04 7.75 7.91 1ri6A1 SER 133 H 0.12 0.25 0.18 -0.55 8.46 8.47 1ri6A1 SER 133 HA -0.07 -0.03 0.33 -0.75 4.49 3.96 1ri6A1 SER 133 HB2 -1.04 -0.06 0.14 -0.04 3.95 2.94 1ri6A1 SER 133 HB3 -0.39 0.27 0.16 -0.04 3.93 3.93 1ri6A1 ALA 134 H 0.17 0.28 0.03 -0.55 8.40 8.34 1ri6A1 ALA 134 HA 0.07 0.22 0.66 -0.75 4.34 4.54 1ri6A1 ALA 134 HB3 0.12 -0.01 -0.23 -0.04 1.41 1.25 1ri6A1 ASN 135 H 0.11 0.64 0.10 -0.55 8.53 8.83 1ri6A1 ASN 135 HA 0.15 0.14 0.94 -0.75 4.76 5.24 1ri6A1 ASN 135 HB2 0.14 -0.05 0.07 -0.04 2.88 2.99 1ri6A1 ASN 135 HB3 0.16 0.06 -0.01 -0.04 2.79 2.96 1ri6A1 ASN 135 HD21 -0.09 -0.02 -0.23 -0.04 7.03 6.65 1ri6A1 ASN 135 HD22 0.07 0.25 -0.13 -0.04 7.74 7.88 1ri6A1 ILE 136 H 0.05 0.19 0.09 -0.55 8.25 8.03 1ri6A1 ILE 136 HA -0.01 0.06 0.47 -0.75 4.18 3.95 1ri6A1 ILE 136 HB -0.03 -0.02 -0.00 -0.04 1.89 1.79 1ri6A1 ILE 136 HG12 0.10 -0.11 0.00 -0.04 1.49 1.44 1ri6A1 ILE 136 HG13 0.05 0.08 -0.08 -0.04 1.21 1.22 1ri6A1 ILE 136 HG23 -0.19 0.00 0.03 -0.04 0.93 0.73 1ri6A1 ILE 136 HD13 -0.02 0.04 -0.46 -0.04 0.88 0.40 1ri6A1 SER 137 H 0.04 0.50 0.30 -0.55 8.46 8.76 1ri6A1 SER 137 HA -1.05 0.17 0.46 -0.75 4.49 3.31 1ri6A1 SER 137 HB2 -0.19 0.04 0.14 -0.04 3.95 3.91 1ri6A1 SER 137 HB3 0.13 0.13 0.15 -0.04 3.93 4.30 1ri6A1 PRO 138 HA -0.10 0.13 0.45 -0.51 4.44 4.41 1ri6A1 PRO 138 HB2 -0.15 0.02 0.10 -0.04 2.28 2.21 1ri6A1 PRO 138 HB3 -0.14 0.09 0.12 -0.04 2.02 2.05 1ri6A1 PRO 138 HG2 -0.26 0.08 0.13 -0.04 2.03 1.93 1ri6A1 PRO 138 HG3 -0.37 0.08 0.11 -0.04 2.03 1.81 1ri6A1 PRO 138 HD2 -0.50 0.10 0.21 -0.04 3.68 3.44 1ri6A1 PRO 138 HD3 -1.83 0.15 0.21 -0.04 3.65 2.14 1ri6A1 ASP 139 H -0.08 0.07 -0.22 -0.55 8.40 7.62 1ri6A1 ASP 139 HA -0.04 0.21 0.60 -0.75 4.63 4.65 1ri6A1 ASP 139 HB2 -0.00 0.05 0.13 -0.04 2.71 2.85 1ri6A1 ASP 139 HB3 -0.03 0.06 0.06 -0.04 2.70 2.75 1ri6A1 ASN 140 H 0.10 0.53 -0.55 -0.55 8.53 8.06 1ri6A1 ASN 140 HA 0.19 0.06 0.25 -0.75 4.76 4.51 1ri6A1 ASN 140 HB2 0.23 0.08 -0.28 -0.04 2.88 2.86 1ri6A1 ASN 140 HB3 0.13 0.17 0.09 -0.04 2.79 3.14 1ri6A1 ASN 140 HD21 0.20 -0.19 0.09 -0.04 7.03 7.09 1ri6A1 ASN 140 HD22 0.15 0.15 0.07 -0.04 7.74 8.07 1ri6A1 ARG 141 H 0.06 -0.07 -0.35 -0.55 8.46 7.54 1ri6A1 ARG 141 HA 0.07 0.33 1.06 -0.75 4.34 5.04 1ri6A1 ARG 141 HB2 0.04 -0.05 -0.05 -0.04 1.90 1.81 1ri6A1 ARG 141 HB3 0.04 -0.03 -0.02 -0.04 1.80 1.75 1ri6A1 ARG 141 HG2 0.05 0.16 -0.20 -0.04 1.67 1.64 1ri6A1 ARG 141 HG3 0.03 -0.02 -0.04 -0.04 1.67 1.60 1ri6A1 ARG 141 HD2 0.04 -0.08 0.02 -0.04 3.22 3.16 1ri6A1 ARG 141 HD3 0.06 0.14 0.12 -0.04 3.22 3.50 1ri6A1 THR 142 H 0.08 -0.03 0.07 -0.55 8.28 7.85 1ri6A1 THR 142 HA 0.06 0.44 1.16 -0.75 4.39 5.30 1ri6A1 THR 142 HB 0.25 -0.09 0.07 -0.04 4.32 4.51 1ri6A1 THR 142 HG23 -0.01 0.02 -0.27 -0.04 1.22 0.93 1ri6A1 LEU 143 H 0.07 0.76 0.22 -0.55 8.37 8.88 1ri6A1 LEU 143 HA 0.07 0.13 0.63 -0.75 4.35 4.43 1ri6A1 LEU 143 HB2 -0.22 -0.01 -0.19 -0.04 1.64 1.19 1ri6A1 LEU 143 HB3 0.05 -0.04 -0.04 -0.04 1.64 1.57 1ri6A1 LEU 143 HG -0.06 0.05 -0.45 -0.04 1.64 1.14 1ri6A1 LEU 143 HD13 -0.76 0.00 -0.46 -0.04 0.93 -0.33 1ri6A1 LEU 143 HD23 -0.30 -0.00 -0.27 -0.04 0.89 0.28 1ri6A1 TRP 144 H 0.44 0.82 0.19 -0.55 7.97 8.87 1ri6A1 TRP 144 HA -0.05 0.21 0.68 -0.75 4.62 4.70 1ri6A1 TRP 144 HB2 0.05 0.07 0.11 -0.04 3.23 3.42 1ri6A1 TRP 144 HB3 -0.11 -0.04 -0.14 -0.04 3.23 2.90 1ri6A1 TRP 144 HD1 0.09 0.02 -0.35 -0.04 7.22 6.93 1ri6A1 TRP 144 HE1 0.07 -0.05 -0.13 -0.04 10.20 10.05 1ri6A1 TRP 144 HE3 -0.38 -0.02 -0.22 -0.04 7.59 6.93 1ri6A1 TRP 144 HZ2 0.06 0.03 -0.13 -0.04 7.44 7.36 1ri6A1 TRP 144 HZ3 -0.76 -0.04 -0.22 -0.04 7.13 6.07 1ri6A1 TRP 144 HH2 -0.01 -0.00 -0.26 -0.04 7.19 6.88 1ri6A1 VAL 145 H 0.02 0.82 0.14 -0.55 8.24 8.66 1ri6A1 VAL 145 HA 0.10 0.37 1.04 -0.75 4.13 4.88 1ri6A1 VAL 145 HB 0.24 -0.06 0.08 -0.04 2.12 2.34 1ri6A1 VAL 145 HG13 0.10 0.02 -0.17 -0.04 0.97 0.89 1ri6A1 VAL 145 HG23 0.16 0.00 -0.36 -0.04 0.95 0.70 1ri6A1 PRO 146 HA 0.03 0.07 0.58 -0.51 4.44 4.61 1ri6A1 PRO 146 HB2 0.11 0.09 -0.05 -0.04 2.28 2.40 1ri6A1 PRO 146 HB3 0.08 -0.05 -0.28 -0.04 2.02 1.73 1ri6A1 PRO 146 HG2 0.04 0.08 -0.27 -0.04 2.03 1.84 1ri6A1 PRO 146 HG3 0.05 -0.04 -0.25 -0.04 2.03 1.75 1ri6A1 PRO 146 HD2 0.05 0.21 0.09 -0.04 3.68 3.98 1ri6A1 PRO 146 HD3 0.09 0.20 -0.33 -0.04 3.65 3.57 1ri6A1 ALA 147 H 0.04 0.77 0.29 -0.55 8.40 8.95 1ri6A1 ALA 147 HA 0.08 0.10 0.51 -0.75 4.34 4.26 1ri6A1 ALA 147 HB3 0.03 0.01 -0.04 -0.04 1.41 1.37 1ri6A1 LEU 148 H 0.18 0.47 -0.05 -0.55 8.37 8.43 1ri6A1 LEU 148 HA 0.13 -0.04 0.28 -0.75 4.35 3.97 1ri6A1 LEU 148 HB2 0.34 0.18 0.15 -0.04 1.64 2.27 1ri6A1 LEU 148 HB3 0.37 -0.05 0.16 -0.04 1.64 2.07 1ri6A1 LEU 148 HG 0.16 -0.20 -0.12 -0.04 1.64 1.43 1ri6A1 LEU 148 HD13 0.22 0.01 -0.01 -0.04 0.93 1.11 1ri6A1 LEU 148 HD23 0.25 -0.02 -0.21 -0.04 0.89 0.87 1ri6A1 LYS 149 H 0.05 0.28 -0.10 -0.55 8.42 8.10 1ri6A1 LYS 149 HA 0.07 0.05 0.41 -0.75 4.32 4.09 1ri6A1 LYS 149 HB2 -0.04 0.07 -0.22 -0.04 1.87 1.65 1ri6A1 LYS 149 HB3 -0.00 -0.01 0.02 -0.04 1.79 1.76 1ri6A1 LYS 149 HG2 0.03 0.01 -0.03 -0.04 1.46 1.44 1ri6A1 LYS 149 HG3 -0.07 -0.03 -0.05 -0.04 1.46 1.27 1ri6A1 LYS 149 HD2 -0.20 -0.14 -0.26 -0.04 1.69 1.06 1ri6A1 LYS 149 HD3 -0.08 0.01 -0.06 -0.04 1.68 1.52 1ri6A1 LYS 149 HE2 -0.08 0.01 -0.02 -0.04 2.99 2.85 1ri6A1 LYS 149 HE3 -0.95 -0.01 -0.00 -0.04 2.99 1.99 1ri6A1 GLN 150 H 0.04 0.42 -0.42 -0.55 8.47 7.97 1ri6A1 GLN 150 HA 0.02 0.20 0.92 -0.75 4.36 4.74 1ri6A1 GLN 150 HB2 0.01 0.04 0.01 -0.04 2.15 2.17 1ri6A1 GLN 150 HB3 0.00 -0.02 0.10 -0.04 2.02 2.07 1ri6A1 GLN 150 HG2 0.00 0.02 -0.08 -0.04 2.40 2.30 1ri6A1 GLN 150 HG3 -0.00 -0.01 -0.16 -0.04 2.39 2.18 1ri6A1 GLN 150 HE21 -0.00 0.50 0.22 -0.04 6.97 7.66 1ri6A1 GLN 150 HE22 -0.01 -0.04 0.04 -0.04 7.69 7.64 1ri6A1 ASP 151 H 0.06 0.36 -0.13 -0.55 8.40 8.14 1ri6A1 ASP 151 HA 0.07 -0.07 0.36 -0.75 4.63 4.24 1ri6A1 ASP 151 HB2 0.04 0.17 -0.15 -0.04 2.71 2.74 1ri6A1 ASP 151 HB3 0.06 -0.00 0.12 -0.04 2.70 2.84 1ri6A1 ARG 152 H 0.03 0.35 -0.05 -0.55 8.46 8.24 1ri6A1 ARG 152 HA 0.00 0.13 0.67 -0.75 4.34 4.40 1ri6A1 ARG 152 HB2 -0.07 0.04 -0.04 -0.04 1.90 1.78 1ri6A1 ARG 152 HB3 -0.01 0.14 -0.24 -0.04 1.80 1.65 1ri6A1 ARG 152 HG2 -0.01 -0.01 -0.25 -0.04 1.67 1.36 1ri6A1 ARG 152 HG3 -0.03 -0.08 -0.36 -0.04 1.67 1.16 1ri6A1 ARG 152 HD2 -0.08 -0.02 -0.21 -0.04 3.22 2.87 1ri6A1 ARG 152 HD3 -0.04 0.03 -0.14 -0.04 3.22 3.04 1ri6A1 ILE 153 H -0.18 0.60 0.17 -0.55 8.25 8.30 1ri6A1 ILE 153 HA -0.08 0.12 0.63 -0.75 4.18 4.10 1ri6A1 ILE 153 HB -0.49 -0.05 -0.00 -0.04 1.89 1.32 1ri6A1 ILE 153 HG12 -0.03 0.03 -0.27 -0.04 1.49 1.17 1ri6A1 ILE 153 HG13 -0.10 -0.08 -0.45 -0.04 1.21 0.54 1ri6A1 ILE 153 HG23 -0.10 0.03 -0.38 -0.04 0.93 0.44 1ri6A1 ILE 153 HD13 -0.34 -0.00 -0.26 -0.04 0.88 0.24 1ri6A1 CYS 154 H -0.09 0.68 0.13 -0.55 8.50 8.68 1ri6A1 CYS 154 HA -0.33 0.18 0.79 -0.75 4.58 4.46 1ri6A1 CYS 154 HB2 0.04 -0.03 0.06 -0.04 2.97 3.00 1ri6A1 CYS 154 HB3 -0.53 0.06 0.05 -0.04 2.97 2.51 1ri6A1 LEU 155 H -0.58 0.68 0.24 -0.55 8.37 8.15 1ri6A1 LEU 155 HA -0.40 0.31 0.95 -0.75 4.35 4.46 1ri6A1 LEU 155 HB2 -0.42 0.06 -0.05 -0.04 1.64 1.19 1ri6A1 LEU 155 HB3 -0.43 -0.03 -0.12 -0.04 1.64 1.01 1ri6A1 LEU 155 HG -0.65 -0.02 -0.43 -0.04 1.64 0.50 1ri6A1 LEU 155 HD13 -0.50 0.00 -0.26 -0.04 0.93 0.13 1ri6A1 LEU 155 HD23 -1.51 0.00 -0.22 -0.04 0.89 -0.88 1ri6A1 PHE 156 H -0.00 0.50 0.22 -0.55 8.34 8.51 1ri6A1 PHE 156 HA -0.08 0.22 0.92 -0.75 4.62 4.93 1ri6A1 PHE 156 HB2 -0.08 -0.05 -0.12 -0.04 3.15 2.86 1ri6A1 PHE 156 HB3 -0.05 -0.04 -0.20 -0.04 3.06 2.72 1ri6A1 PHE 156 HD2 -0.07 0.01 -0.35 -0.04 7.28 6.83 1ri6A1 PHE 156 HE2 -0.05 0.01 -0.13 -0.04 7.38 7.16 1ri6A1 PHE 156 HZ -0.05 0.04 -0.11 -0.04 7.32 7.15 1ri6A1 THR 157 H 0.09 0.74 0.27 -0.55 8.28 8.83 1ri6A1 THR 157 HA 0.04 0.26 0.81 -0.75 4.39 4.75 1ri6A1 THR 157 HB 0.04 -0.02 0.16 -0.04 4.32 4.46 1ri6A1 THR 157 HG23 0.03 -0.01 -0.17 -0.04 1.22 1.03 1ri6A1 VAL 158 H 0.04 0.68 0.22 -0.55 8.24 8.63 1ri6A1 VAL 158 HA 0.01 0.18 0.72 -0.75 4.13 4.28 1ri6A1 VAL 158 HB 0.07 0.06 0.10 -0.04 2.12 2.32 1ri6A1 VAL 158 HG13 0.07 0.03 -0.21 -0.04 0.97 0.82 1ri6A1 VAL 158 HG23 -0.04 -0.02 -0.29 -0.04 0.95 0.56 1ri6A1 SER 159 H 0.01 0.67 0.14 -0.55 8.46 8.73 1ri6A1 SER 159 HA 0.01 0.11 0.37 -0.75 4.49 4.23 1ri6A1 SER 159 HB2 -0.03 -0.06 0.12 -0.04 3.95 3.94 1ri6A1 SER 159 HB3 0.00 0.12 0.04 -0.04 3.93 4.05 1ri6A1 ASP 160 H 0.01 0.14 0.15 -0.55 8.40 8.15 1ri6A1 ASP 160 HA 0.10 0.16 0.43 -0.75 4.63 4.56 1ri6A1 ASP 160 HB2 0.02 -0.04 0.11 -0.04 2.71 2.75 1ri6A1 ASP 160 HB3 0.06 0.05 0.04 -0.04 2.70 2.80 1ri6A1 ASP 161 H -0.04 0.02 -0.21 -0.55 8.40 7.64 1ri6A1 ASP 161 HA 0.19 0.25 0.71 -0.75 4.63 5.02 1ri6A1 ASP 161 HB2 -0.01 0.07 0.14 -0.04 2.71 2.87 1ri6A1 ASP 161 HB3 -0.03 0.01 0.02 -0.04 2.70 2.66 1ri6A1 GLY 162 H -0.17 0.42 -0.74 -0.55 8.43 7.39 1ri6A1 GLY 162 HA2 -0.91 0.06 0.10 -0.51 4.01 2.75 1ri6A1 GLY 162 HA3 -0.86 0.07 0.26 -0.51 4.01 2.98 1ri6A1 HIS 163 H 0.05 -0.06 -0.32 -0.55 8.41 7.53 1ri6A1 HIS 163 HA -0.10 0.16 0.62 -0.75 4.63 4.56 1ri6A1 HIS 163 HB2 -0.04 -0.11 -0.03 -0.04 3.26 3.04 1ri6A1 HIS 163 HB3 -0.04 0.08 -0.06 -0.04 3.20 3.14 1ri6A1 HIS 163 HD2 -0.07 0.08 -0.49 -0.04 6.97 6.44 1ri6A1 HIS 163 HE1 -0.01 -0.01 0.00 -0.04 7.75 7.69 1ri6A1 LEU 164 H -0.07 0.15 0.07 -0.55 8.37 7.98 1ri6A1 LEU 164 HA 0.00 0.33 0.82 -0.75 4.35 4.76 1ri6A1 LEU 164 HB2 -0.28 -0.02 -0.00 -0.04 1.64 1.29 1ri6A1 LEU 164 HB3 -0.37 0.00 -0.16 -0.04 1.64 1.07 1ri6A1 LEU 164 HG -0.13 0.01 -0.23 -0.04 1.64 1.26 1ri6A1 LEU 164 HD13 -0.36 -0.00 -0.26 -0.04 0.93 0.27 1ri6A1 LEU 164 HD23 -0.07 0.02 -0.32 -0.04 0.89 0.47 1ri6A1 VAL 165 H 0.11 0.63 0.24 -0.55 8.24 8.67 1ri6A1 VAL 165 HA 0.11 0.16 0.99 -0.75 4.13 4.63 1ri6A1 VAL 165 HB 0.05 -0.04 0.12 -0.04 2.12 2.21 1ri6A1 VAL 165 HG13 0.03 0.05 -0.10 -0.04 0.97 0.91 1ri6A1 VAL 165 HG23 0.05 0.00 -0.22 -0.04 0.95 0.74 1ri6A1 ALA 166 H 0.17 0.13 0.12 -0.55 8.40 8.27 1ri6A1 ALA 166 HA -0.19 0.12 0.55 -0.75 4.34 4.06 1ri6A1 ALA 166 HB3 -0.03 0.00 0.16 -0.04 1.41 1.50 1ri6A1 GLN 167 H -0.24 0.47 0.34 -0.55 8.47 8.50 1ri6A1 GLN 167 HA -0.07 0.08 0.56 -0.75 4.36 4.17 1ri6A1 GLN 167 HB2 -0.18 0.16 -0.06 -0.04 2.15 2.03 1ri6A1 GLN 167 HB3 -0.10 -0.08 0.08 -0.04 2.02 1.88 1ri6A1 GLN 167 HG2 -0.05 -0.01 -0.08 -0.04 2.40 2.21 1ri6A1 GLN 167 HG3 -0.13 0.00 -0.29 -0.04 2.39 1.93 1ri6A1 GLN 167 HE21 -0.01 -0.05 -0.17 -0.04 6.97 6.70 1ri6A1 GLN 167 HE22 -0.01 -0.02 -0.17 -0.04 7.69 7.44 1ri6A1 ASP 168 H -0.08 0.20 0.05 -0.55 8.40 8.02 1ri6A1 ASP 168 HA -0.10 -0.10 0.40 -0.75 4.63 4.07 1ri6A1 ASP 168 HB2 -0.05 0.05 -0.20 -0.04 2.71 2.47 1ri6A1 ASP 168 HB3 -0.05 -0.00 0.07 -0.04 2.70 2.68 1ri6A1 PRO 169 HA -0.09 0.03 0.39 -0.51 4.44 4.27 1ri6A1 PRO 169 HB2 -0.12 0.15 0.10 -0.04 2.28 2.37 1ri6A1 PRO 169 HB3 -0.07 0.02 0.16 -0.04 2.02 2.09 1ri6A1 PRO 169 HG2 -0.15 0.00 -0.01 -0.04 2.03 1.83 1ri6A1 PRO 169 HG3 -0.08 0.04 0.10 -0.04 2.03 2.06 1ri6A1 PRO 169 HD2 -0.07 0.15 0.33 -0.04 3.68 4.04 1ri6A1 PRO 169 HD3 -0.05 0.07 0.28 -0.04 3.65 3.91 1ri6A1 ALA 170 H -0.12 0.11 0.17 -0.55 8.40 8.00 1ri6A1 ALA 170 HA -0.24 0.30 0.53 -0.75 4.34 4.17 1ri6A1 ALA 170 HB3 -0.16 -0.01 0.13 -0.04 1.41 1.33 1ri6A1 GLU 171 H -0.19 0.14 -0.19 -0.55 8.60 7.81 1ri6A1 GLU 171 HA -0.37 0.11 0.37 -0.75 4.29 3.64 1ri6A1 GLU 171 HB2 -0.20 0.03 -0.07 -0.04 2.09 1.81 1ri6A1 GLU 171 HB3 -0.26 -0.01 0.14 -0.04 1.99 1.82 1ri6A1 GLU 171 HG2 -0.12 0.03 -0.24 -0.04 2.34 1.97 1ri6A1 GLU 171 HG3 -0.17 -0.13 -0.64 -0.04 2.34 1.37 1ri6A1 VAL 172 H -0.34 0.50 0.26 -0.55 8.24 8.11 1ri6A1 VAL 172 HA -0.09 0.16 0.82 -0.75 4.13 4.27 1ri6A1 VAL 172 HB -0.15 0.03 -0.02 -0.04 2.12 1.94 1ri6A1 VAL 172 HG13 -0.24 0.01 -0.15 -0.04 0.97 0.54 1ri6A1 VAL 172 HG23 -1.01 0.00 -0.11 -0.04 0.95 -0.21 1ri6A1 THR 173 H 0.14 0.15 0.14 -0.55 8.28 8.17 1ri6A1 THR 173 HA 0.06 0.25 1.16 -0.75 4.39 5.11 1ri6A1 THR 173 HB 0.07 0.16 0.11 -0.04 4.32 4.62 1ri6A1 THR 173 HG23 0.01 -0.00 -0.12 -0.04 1.22 1.06 1ri6A1 THR 174 H 0.12 0.59 0.16 -0.55 8.28 8.60 1ri6A1 THR 174 HA 0.21 0.17 0.80 -0.75 4.39 4.82 1ri6A1 THR 174 HB 0.15 -0.14 0.05 -0.04 4.32 4.34 1ri6A1 THR 174 HG23 0.29 0.00 -0.32 -0.04 1.22 1.16 1ri6A1 VAL 175 H 0.08 0.06 0.05 -0.55 8.24 7.88 1ri6A1 VAL 175 HA 0.04 0.09 0.41 -0.75 4.13 3.91 1ri6A1 VAL 175 HB 0.05 -0.07 -0.02 -0.04 2.12 2.03 1ri6A1 VAL 175 HG13 0.03 0.06 -0.14 -0.04 0.97 0.89 1ri6A1 VAL 175 HG23 0.02 0.01 -0.02 -0.04 0.95 0.92 1ri6A1 GLU 176 H 0.03 0.12 0.13 -0.55 8.60 8.34 1ri6A1 GLU 176 HA 0.04 0.06 0.44 -0.75 4.29 4.08 1ri6A1 GLU 176 HB2 0.03 0.03 0.12 -0.04 2.09 2.23 1ri6A1 GLU 176 HB3 0.03 -0.02 0.15 -0.04 1.99 2.11 1ri6A1 GLU 176 HG2 0.02 -0.00 -0.08 -0.04 2.34 2.24 1ri6A1 GLU 176 HG3 0.03 0.04 -0.23 -0.04 2.34 2.14 1ri6A1 GLY 177 H 0.05 0.15 0.17 -0.55 8.43 8.25 1ri6A1 GLY 177 HA2 0.05 0.03 0.28 -0.51 4.01 3.86 1ri6A1 GLY 177 HA3 0.04 0.13 0.42 -0.51 4.01 4.09 1ri6A1 ALA 178 H 0.06 0.41 -0.23 -0.55 8.40 8.11 1ri6A1 ALA 178 HA 0.07 0.10 0.30 -0.75 4.34 4.06 1ri6A1 ALA 178 HB3 0.08 -0.03 -0.08 -0.04 1.41 1.34 1ri6A1 GLY 179 H 0.08 0.09 -0.02 -0.55 8.43 8.04 1ri6A1 GLY 179 HA2 0.10 0.34 0.38 -0.51 4.01 4.33 1ri6A1 GLY 179 HA3 0.10 -0.03 0.47 -0.51 4.01 4.04 1ri6A1 PRO 180 HA 0.10 0.06 0.29 -0.51 4.44 4.38 1ri6A1 PRO 180 HB2 0.09 0.06 -0.22 -0.04 2.28 2.17 1ri6A1 PRO 180 HB3 0.14 -0.01 -0.16 -0.04 2.02 1.95 1ri6A1 PRO 180 HG2 0.09 0.03 -0.24 -0.04 2.03 1.87 1ri6A1 PRO 180 HG3 0.08 0.01 -0.19 -0.04 2.03 1.88 1ri6A1 PRO 180 HD2 0.09 0.21 0.24 -0.04 3.68 4.18 1ri6A1 PRO 180 HD3 0.10 0.03 0.04 -0.04 3.65 3.78 1ri6A1 ARG 181 H 0.04 0.53 0.34 -0.55 8.46 8.82 1ri6A1 ARG 181 HA 0.01 0.12 0.98 -0.75 4.34 4.70 1ri6A1 ARG 181 HB2 -0.15 -0.07 0.11 -0.04 1.90 1.76 1ri6A1 ARG 181 HB3 -0.14 0.01 0.28 -0.04 1.80 1.90 1ri6A1 ARG 181 HG2 -0.67 0.06 -0.03 -0.04 1.67 0.98 1ri6A1 ARG 181 HG3 -1.27 -0.06 0.09 -0.04 1.67 0.38 1ri6A1 ARG 181 HD2 -0.27 -0.07 0.12 -0.04 3.22 2.96 1ri6A1 ARG 181 HD3 -0.35 0.15 0.19 -0.04 3.22 3.17 1ri6A1 HIS 182 H 0.02 0.22 0.31 -0.55 8.41 8.42 1ri6A1 HIS 182 HA -0.09 0.22 0.99 -0.75 4.63 4.99 1ri6A1 HIS 182 HB2 -0.12 0.05 0.23 -0.04 3.26 3.39 1ri6A1 HIS 182 HB3 -0.14 0.01 0.19 -0.04 3.20 3.21 1ri6A1 HIS 182 HD2 0.01 0.21 -0.32 -0.04 6.97 6.82 1ri6A1 HIS 182 HE1 -0.31 -0.00 0.15 -0.04 7.75 7.54 1ri6A1 MET 183 H -0.08 0.31 0.27 -0.55 8.47 8.42 1ri6A1 MET 183 HA -0.03 0.21 0.82 -0.75 4.52 4.76 1ri6A1 MET 183 HB2 -0.21 0.02 -0.07 -0.04 2.15 1.84 1ri6A1 MET 183 HB3 -0.02 -0.05 -0.21 -0.04 2.03 1.71 1ri6A1 MET 183 HG2 -0.06 -0.03 -0.23 -0.04 2.63 2.27 1ri6A1 MET 183 HG3 -0.18 0.02 -0.21 -0.04 2.56 2.15 1ri6A1 MET 183 HE3 -0.96 0.01 -0.23 -0.04 2.10 0.87 1ri6A1 VAL 184 H -0.11 0.52 0.36 -0.55 8.24 8.46 1ri6A1 VAL 184 HA -0.08 0.17 0.79 -0.75 4.13 4.26 1ri6A1 VAL 184 HB 0.08 0.07 0.13 -0.04 2.12 2.36 1ri6A1 VAL 184 HG13 -0.04 -0.02 -0.09 -0.04 0.97 0.79 1ri6A1 VAL 184 HG23 0.10 -0.03 -0.20 -0.04 0.95 0.78 1ri6A1 PHE 185 H 0.19 0.20 0.20 -0.55 8.34 8.38 1ri6A1 PHE 185 HA -0.10 0.16 1.12 -0.75 4.62 5.04 1ri6A1 PHE 185 HB2 -0.02 0.00 0.10 -0.04 3.15 3.19 1ri6A1 PHE 185 HB3 -0.05 0.08 0.11 -0.04 3.06 3.15 1ri6A1 PHE 185 HD2 -0.22 0.05 -0.08 -0.04 7.28 6.99 1ri6A1 PHE 185 HE2 -0.76 0.02 -0.25 -0.04 7.38 6.35 1ri6A1 PHE 185 HZ -1.64 0.01 -0.18 -0.04 7.32 5.47 1ri6A1 HIS 186 H 0.28 0.59 0.28 -0.55 8.41 9.02 1ri6A1 HIS 186 HA 0.26 0.17 0.51 -0.75 4.63 4.81 1ri6A1 HIS 186 HB2 0.35 0.07 0.06 -0.04 3.26 3.70 1ri6A1 HIS 186 HB3 0.21 -0.27 0.13 -0.04 3.20 3.22 1ri6A1 HIS 186 HD2 0.27 0.01 -0.02 -0.04 6.97 7.19 1ri6A1 HIS 186 HE1 0.05 0.09 -0.03 -0.04 7.75 7.82 1ri6A1 PRO 187 HA 0.08 0.10 0.46 -0.51 4.44 4.58 1ri6A1 PRO 187 HB2 0.04 -0.00 0.01 -0.04 2.28 2.29 1ri6A1 PRO 187 HB3 0.03 0.05 0.14 -0.04 2.02 2.21 1ri6A1 PRO 187 HG2 -0.12 0.16 0.00 -0.04 2.03 2.03 1ri6A1 PRO 187 HG3 -0.02 0.04 0.13 -0.04 2.03 2.13 1ri6A1 PRO 187 HD2 -1.09 0.07 0.19 -0.04 3.68 2.81 1ri6A1 PRO 187 HD3 -0.22 0.18 0.23 -0.04 3.65 3.80 1ri6A1 ASN 188 H 0.82 0.08 -0.33 -0.55 8.53 8.55 1ri6A1 ASN 188 HA 0.12 0.17 0.50 -0.75 4.76 4.80 1ri6A1 ASN 188 HB2 0.07 0.02 0.13 -0.04 2.88 3.06 1ri6A1 ASN 188 HB3 0.17 0.06 0.05 -0.04 2.79 3.03 1ri6A1 ASN 188 HD21 -0.28 0.18 -0.08 -0.04 7.03 6.80 1ri6A1 ASN 188 HD22 -0.16 0.05 -0.08 -0.04 7.74 7.50 1ri6A1 GLU 189 H 0.17 0.53 -0.54 -0.55 8.60 8.22 1ri6A1 GLU 189 HA 0.04 0.08 0.30 -0.75 4.29 3.95 1ri6A1 GLU 189 HB2 -0.01 0.16 0.06 -0.04 2.09 2.26 1ri6A1 GLU 189 HB3 -0.06 -0.13 0.17 -0.04 1.99 1.94 1ri6A1 GLU 189 HG2 -0.02 0.01 -0.02 -0.04 2.34 2.27 1ri6A1 GLU 189 HG3 0.02 0.14 -0.40 -0.04 2.34 2.06 1ri6A1 GLN 190 H 0.08 -0.03 -0.41 -0.55 8.47 7.56 1ri6A1 GLN 190 HA -0.13 0.20 0.85 -0.75 4.36 4.52 1ri6A1 GLN 190 HB2 0.02 0.02 -0.02 -0.04 2.15 2.13 1ri6A1 GLN 190 HB3 -0.39 -0.05 0.04 -0.04 2.02 1.57 1ri6A1 GLN 190 HG2 0.00 0.16 -0.11 -0.04 2.40 2.41 1ri6A1 GLN 190 HG3 -0.01 -0.03 -0.01 -0.04 2.39 2.30 1ri6A1 GLN 190 HE21 -0.05 -0.00 -0.00 -0.04 6.97 6.87 1ri6A1 GLN 190 HE22 -0.06 -0.04 0.00 -0.04 7.69 7.56 1ri6A1 TYR 191 H 0.14 0.02 0.11 -0.55 8.29 8.01 1ri6A1 TYR 191 HA -0.05 0.27 1.11 -0.75 4.56 5.13 1ri6A1 TYR 191 HB2 -0.15 -0.05 -0.00 -0.04 3.06 2.82 1ri6A1 TYR 191 HB3 -0.37 0.06 0.05 -0.04 2.98 2.68 1ri6A1 TYR 191 HD2 -0.09 -0.03 -0.25 -0.04 7.15 6.73 1ri6A1 TYR 191 HE2 -0.04 0.03 -0.10 -0.04 6.85 6.70 1ri6A1 ALA 192 H -0.14 0.65 0.41 -0.55 8.40 8.78 1ri6A1 ALA 192 HA -0.51 0.21 0.99 -0.75 4.34 4.27 1ri6A1 ALA 192 HB3 -0.81 -0.01 -0.08 -0.04 1.41 0.48 1ri6A1 TYR 193 H -0.20 0.73 0.33 -0.55 8.29 8.61 1ri6A1 TYR 193 HA 0.05 0.36 1.07 -0.75 4.56 5.28 1ri6A1 TYR 193 HB2 -0.07 -0.05 0.00 -0.04 3.06 2.90 1ri6A1 TYR 193 HB3 -0.09 0.01 -0.09 -0.04 2.98 2.76 1ri6A1 TYR 193 HD2 -0.06 0.03 -0.21 -0.04 7.15 6.86 1ri6A1 TYR 193 HE2 0.03 0.00 -0.22 -0.04 6.85 6.62 1ri6A1 CYS 194 H 0.21 0.54 0.28 -0.55 8.50 8.98 1ri6A1 CYS 194 HA 0.07 0.31 1.14 -0.75 4.58 5.35 1ri6A1 CYS 194 HB2 0.22 -0.02 -0.18 -0.04 2.97 2.95 1ri6A1 CYS 194 HB3 0.43 -0.09 -0.00 -0.04 2.97 3.28 1ri6A1 VAL 195 H 0.06 0.73 0.32 -0.55 8.24 8.80 1ri6A1 VAL 195 HA 0.05 0.21 0.96 -0.75 4.13 4.60 1ri6A1 VAL 195 HB 0.03 -0.01 -0.10 -0.04 2.12 2.00 1ri6A1 VAL 195 HG13 -0.01 0.04 -0.05 -0.04 0.97 0.91 1ri6A1 VAL 195 HG23 0.03 0.00 -0.23 -0.04 0.95 0.71 1ri6A1 ASN 196 H 0.06 0.84 0.29 -0.55 8.53 9.17 1ri6A1 ASN 196 HA 0.07 0.13 0.63 -0.75 4.76 4.83 1ri6A1 ASN 196 HB2 0.07 -0.13 0.02 -0.04 2.88 2.80 1ri6A1 ASN 196 HB3 0.08 0.11 -0.39 -0.04 2.79 2.55 1ri6A1 ASN 196 HD21 0.11 -0.02 -0.25 -0.04 7.03 6.83 1ri6A1 ASN 196 HD22 0.07 -0.03 -0.30 -0.04 7.74 7.44 1ri6A1 GLU 197 H 0.04 0.66 0.28 -0.55 8.60 9.03 1ri6A1 GLU 197 HA 0.06 -0.05 0.49 -0.75 4.29 4.03 1ri6A1 GLU 197 HB2 -0.03 0.07 0.16 -0.04 2.09 2.25 1ri6A1 GLU 197 HB3 0.08 -0.01 0.22 -0.04 1.99 2.24 1ri6A1 GLU 197 HG2 0.23 -0.02 -0.33 -0.04 2.34 2.18 1ri6A1 GLU 197 HG3 0.24 0.11 0.03 -0.04 2.34 2.67 1ri6A1 LEU 198 H 0.09 0.30 0.12 -0.55 8.37 8.34 1ri6A1 LEU 198 HA 0.11 0.15 0.48 -0.75 4.35 4.33 1ri6A1 LEU 198 HB2 0.08 0.17 -0.23 -0.04 1.64 1.62 1ri6A1 LEU 198 HB3 0.07 -0.01 0.08 -0.04 1.64 1.73 1ri6A1 LEU 198 HG 0.11 -0.07 -0.02 -0.04 1.64 1.63 1ri6A1 LEU 198 HD13 0.08 -0.03 -0.10 -0.04 0.93 0.84 1ri6A1 LEU 198 HD23 0.08 0.00 -0.03 -0.04 0.89 0.90 1ri6A1 ASN 199 H 0.08 0.16 -0.28 -0.55 8.53 7.95 1ri6A1 ASN 199 HA 0.09 0.23 0.87 -0.75 4.76 5.20 1ri6A1 ASN 199 HB2 0.07 -0.01 0.08 -0.04 2.88 2.97 1ri6A1 ASN 199 HB3 0.06 0.13 -0.19 -0.04 2.79 2.75 1ri6A1 ASN 199 HD21 0.05 -0.10 -0.15 -0.04 7.03 6.79 1ri6A1 ASN 199 HD22 0.05 0.05 -0.14 -0.04 7.74 7.66 1ri6A1 SER 200 H 0.09 0.25 -0.18 -0.55 8.46 8.08 1ri6A1 SER 200 HA 0.07 0.14 0.42 -0.75 4.49 4.37 1ri6A1 SER 200 HB2 0.08 0.11 -0.15 -0.04 3.95 3.95 1ri6A1 SER 200 HB3 0.01 -0.06 0.12 -0.04 3.93 3.96 1ri6A1 SER 201 H 0.07 0.24 0.08 -0.55 8.46 8.30 1ri6A1 SER 201 HA 0.08 0.15 1.05 -0.75 4.49 5.02 1ri6A1 SER 201 HB2 0.04 0.05 -0.05 -0.04 3.95 3.94 1ri6A1 SER 201 HB3 0.06 0.10 -0.20 -0.04 3.93 3.85 1ri6A1 VAL 202 H 0.01 0.58 0.29 -0.55 8.24 8.57 1ri6A1 VAL 202 HA 0.01 0.35 1.07 -0.75 4.13 4.81 1ri6A1 VAL 202 HB -0.26 -0.05 -0.00 -0.04 2.12 1.76 1ri6A1 VAL 202 HG13 -0.15 0.01 -0.30 -0.04 0.97 0.49 1ri6A1 VAL 202 HG23 -0.04 -0.01 -0.27 -0.04 0.95 0.59 1ri6A1 ASP 203 H 0.05 0.63 0.30 -0.55 8.40 8.83 1ri6A1 ASP 203 HA -0.16 0.26 1.11 -0.75 4.63 5.08 1ri6A1 ASP 203 HB2 0.16 -0.04 0.05 -0.04 2.71 2.84 1ri6A1 ASP 203 HB3 -0.71 0.04 -0.10 -0.04 2.70 1.88 1ri6A1 VAL 204 H -0.25 0.76 0.35 -0.55 8.24 8.55 1ri6A1 VAL 204 HA -0.03 0.23 0.92 -0.75 4.13 4.49 1ri6A1 VAL 204 HB -0.11 -0.14 0.23 -0.04 2.12 2.06 1ri6A1 VAL 204 HG13 -0.04 0.05 -0.14 -0.04 0.97 0.80 1ri6A1 VAL 204 HG23 0.04 0.00 -0.16 -0.04 0.95 0.79 1ri6A1 TRP 205 H 0.08 0.90 0.36 -0.55 7.97 8.76 1ri6A1 TRP 205 HA 0.09 0.21 1.05 -0.75 4.62 5.22 1ri6A1 TRP 205 HB2 0.00 -0.04 0.04 -0.04 3.23 3.18 1ri6A1 TRP 205 HB3 0.29 0.04 -0.20 -0.04 3.23 3.32 1ri6A1 TRP 205 HD1 0.01 0.05 -0.28 -0.04 7.22 6.95 1ri6A1 TRP 205 HE1 0.07 -0.04 -0.21 -0.04 10.20 9.98 1ri6A1 TRP 205 HE3 0.12 0.05 -0.49 -0.04 7.59 7.22 1ri6A1 TRP 205 HZ2 0.04 -0.04 -0.29 -0.04 7.44 7.11 1ri6A1 TRP 205 HZ3 0.01 0.01 -0.16 -0.04 7.13 6.96 1ri6A1 TRP 205 HH2 0.01 0.26 -0.12 -0.04 7.19 7.30 1ri6A1 GLU 206 H 0.24 0.74 0.36 -0.55 8.60 9.40 1ri6A1 GLU 206 HA -0.24 0.19 0.81 -0.75 4.29 4.30 1ri6A1 GLU 206 HB2 0.23 -0.01 0.08 -0.04 2.09 2.35 1ri6A1 GLU 206 HB3 0.10 -0.06 0.21 -0.04 1.99 2.20 1ri6A1 GLU 206 HG2 -0.09 -0.11 -0.40 -0.04 2.34 1.71 1ri6A1 GLU 206 HG3 -0.51 0.12 -0.01 -0.04 2.34 1.90 1ri6A1 LEU 207 H -0.12 0.59 0.22 -0.55 8.37 8.51 1ri6A1 LEU 207 HA 0.32 -0.02 0.27 -0.75 4.35 4.17 1ri6A1 LEU 207 HB2 -0.01 0.06 0.08 -0.04 1.64 1.73 1ri6A1 LEU 207 HB3 0.15 -0.04 -0.03 -0.04 1.64 1.68 1ri6A1 LEU 207 HG -0.01 0.03 -0.42 -0.04 1.64 1.20 1ri6A1 LEU 207 HD13 0.02 0.01 -0.05 -0.04 0.93 0.86 1ri6A1 LEU 207 HD23 0.16 -0.02 -0.25 -0.04 0.89 0.74 1ri6A1 LYS 208 H -0.06 0.13 -0.25 -0.55 8.42 7.68 1ri6A1 LYS 208 HA 0.03 0.18 0.40 -0.75 4.32 4.18 1ri6A1 LYS 208 HB2 0.02 0.05 -0.27 -0.04 1.87 1.62 1ri6A1 LYS 208 HB3 -0.02 -0.04 0.06 -0.04 1.79 1.75 1ri6A1 LYS 208 HG2 -0.01 0.06 -0.16 -0.04 1.46 1.31 1ri6A1 LYS 208 HG3 0.01 0.01 -0.10 -0.04 1.46 1.34 1ri6A1 LYS 208 HD2 0.01 0.00 -0.05 -0.04 1.69 1.61 1ri6A1 LYS 208 HD3 -0.01 -0.03 -0.04 -0.04 1.68 1.56 1ri6A1 LYS 208 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.90 1ri6A1 LYS 208 HE3 0.00 0.05 0.01 -0.04 2.99 3.01 1ri6A1 ASP 209 H 0.04 0.64 0.11 -0.55 8.40 8.64 1ri6A1 ASP 209 HA -0.03 0.15 0.48 -0.75 4.63 4.48 1ri6A1 ASP 209 HB2 0.03 0.04 0.17 -0.04 2.71 2.91 1ri6A1 ASP 209 HB3 0.06 0.07 0.10 -0.04 2.70 2.89 1ri6A1 PRO 210 HA -0.16 0.13 0.42 -0.51 4.44 4.31 1ri6A1 PRO 210 HB2 -0.76 0.01 0.02 -0.04 2.28 1.52 1ri6A1 PRO 210 HB3 -0.24 0.05 0.12 -0.04 2.02 1.91 1ri6A1 PRO 210 HG2 -0.10 0.04 0.08 -0.04 2.03 2.01 1ri6A1 PRO 210 HG3 -0.09 0.07 0.10 -0.04 2.03 2.07 1ri6A1 PRO 210 HD2 -0.10 0.09 0.19 -0.04 3.68 3.81 1ri6A1 PRO 210 HD3 -0.05 0.14 0.22 -0.04 3.65 3.92 1ri6A1 HIS 211 H -0.19 -0.04 -0.66 -0.55 8.41 6.97 1ri6A1 HIS 211 HA 0.01 0.25 0.85 -0.75 4.63 4.98 1ri6A1 HIS 211 HB2 0.01 -0.04 -0.03 -0.04 3.26 3.17 1ri6A1 HIS 211 HB3 0.01 0.04 0.11 -0.04 3.20 3.31 1ri6A1 HIS 211 HD2 0.01 0.06 -0.10 -0.04 6.97 6.89 1ri6A1 HIS 211 HE1 0.01 0.02 -0.03 -0.04 7.75 7.70 1ri6A1 GLY 212 H -0.01 0.72 -0.20 -0.55 8.43 8.39 1ri6A1 GLY 212 HA2 0.01 0.06 0.23 -0.51 4.01 3.80 1ri6A1 GLY 212 HA3 0.02 0.08 0.41 -0.51 4.01 4.01 1ri6A1 ASN 213 H 0.07 -0.09 -0.23 -0.55 8.53 7.74 1ri6A1 ASN 213 HA 0.04 0.29 0.97 -0.75 4.76 5.31 1ri6A1 ASN 213 HB2 0.09 -0.11 -0.14 -0.04 2.88 2.68 1ri6A1 ASN 213 HB3 0.06 0.09 -0.02 -0.04 2.79 2.87 1ri6A1 ASN 213 HD21 0.05 0.05 -0.07 -0.04 7.03 7.02 1ri6A1 ASN 213 HD22 0.10 -0.11 -0.12 -0.04 7.74 7.57 1ri6A1 ILE 214 H 0.04 0.16 0.14 -0.55 8.25 8.03 1ri6A1 ILE 214 HA 0.17 0.37 0.60 -0.75 4.18 4.57 1ri6A1 ILE 214 HB -0.03 -0.07 0.12 -0.04 1.89 1.88 1ri6A1 ILE 214 HG12 0.18 0.16 0.07 -0.04 1.49 1.86 1ri6A1 ILE 214 HG13 0.02 -0.01 0.04 -0.04 1.21 1.22 1ri6A1 ILE 214 HG23 0.16 -0.02 -0.25 -0.04 0.93 0.77 1ri6A1 ILE 214 HD13 -0.32 -0.03 -0.08 -0.04 0.88 0.41 1ri6A1 GLU 215 H 0.23 0.49 0.24 -0.55 8.60 9.01 1ri6A1 GLU 215 HA 0.23 0.19 0.93 -0.75 4.29 4.89 1ri6A1 GLU 215 HB2 0.11 -0.04 0.00 -0.04 2.09 2.12 1ri6A1 GLU 215 HB3 0.07 0.06 -0.14 -0.04 1.99 1.94 1ri6A1 GLU 215 HG2 0.11 -0.04 -0.57 -0.04 2.34 1.80 1ri6A1 GLU 215 HG3 0.11 -0.05 -0.12 -0.04 2.34 2.24 1ri6A1 CYS 216 H -0.05 0.20 0.11 -0.55 8.50 8.21 1ri6A1 CYS 216 HA -0.74 0.21 0.83 -0.75 4.58 4.12 1ri6A1 CYS 216 HB2 -1.92 0.01 0.03 -0.04 2.97 1.06 1ri6A1 CYS 216 HB3 -0.46 -0.00 0.18 -0.04 2.97 2.65 1ri6A1 VAL 217 H -0.14 0.46 0.30 -0.55 8.24 8.31 1ri6A1 VAL 217 HA -0.06 0.16 0.78 -0.75 4.13 4.26 1ri6A1 VAL 217 HB 0.01 -0.02 0.11 -0.04 2.12 2.18 1ri6A1 VAL 217 HG13 0.08 0.00 -0.08 -0.04 0.97 0.93 1ri6A1 VAL 217 HG23 0.04 0.03 -0.03 -0.04 0.95 0.95 1ri6A1 GLN 218 H -0.20 0.27 0.15 -0.55 8.47 8.14 1ri6A1 GLN 218 HA -0.09 0.13 0.59 -0.75 4.36 4.24 1ri6A1 GLN 218 HB2 -0.07 0.15 -0.08 -0.04 2.15 2.11 1ri6A1 GLN 218 HB3 -0.09 -0.05 0.03 -0.04 2.02 1.87 1ri6A1 GLN 218 HG2 -0.07 -0.01 -0.23 -0.04 2.40 2.05 1ri6A1 GLN 218 HG3 -0.05 0.04 0.08 -0.04 2.39 2.43 1ri6A1 GLN 218 HE21 -0.03 0.27 0.11 -0.04 6.97 7.28 1ri6A1 GLN 218 HE22 -0.02 0.01 0.03 -0.04 7.69 7.67 1ri6A1 THR 219 H -0.07 0.29 0.14 -0.55 8.28 8.09 1ri6A1 THR 219 HA -0.10 0.29 0.99 -0.75 4.39 4.82 1ri6A1 THR 219 HB -0.05 -0.00 0.07 -0.04 4.32 4.29 1ri6A1 THR 219 HG23 -0.02 -0.01 -0.19 -0.04 1.22 0.96 1ri6A1 LEU 220 H -0.04 0.57 0.27 -0.55 8.37 8.62 1ri6A1 LEU 220 HA 0.04 0.21 1.06 -0.75 4.35 4.91 1ri6A1 LEU 220 HB2 0.03 -0.03 -0.05 -0.04 1.64 1.54 1ri6A1 LEU 220 HB3 0.17 0.12 -0.06 -0.04 1.64 1.82 1ri6A1 LEU 220 HG -0.03 -0.09 -0.30 -0.04 1.64 1.18 1ri6A1 LEU 220 HD13 0.09 0.05 -0.19 -0.04 0.93 0.84 1ri6A1 LEU 220 HD23 0.02 0.09 -0.01 -0.04 0.89 0.95 1ri6A1 ASP 221 H 0.08 0.17 0.15 -0.55 8.40 8.26 1ri6A1 ASP 221 HA 0.09 0.15 0.68 -0.75 4.63 4.80 1ri6A1 ASP 221 HB2 0.07 -0.01 0.12 -0.04 2.71 2.85 1ri6A1 ASP 221 HB3 0.09 0.01 0.17 -0.04 2.70 2.92 1ri6A1 MET 222 H 0.13 0.57 0.33 -0.55 8.47 8.95 1ri6A1 MET 222 HA 0.27 0.11 0.48 -0.75 4.52 4.63 1ri6A1 MET 222 HB2 0.24 -0.04 -0.03 -0.04 2.15 2.27 1ri6A1 MET 222 HB3 0.31 -0.04 -0.14 -0.04 2.03 2.12 1ri6A1 MET 222 HG2 0.09 0.45 -0.15 -0.04 2.63 2.97 1ri6A1 MET 222 HG3 0.04 -0.05 -0.33 -0.04 2.56 2.18 1ri6A1 MET 222 HE3 0.04 -0.00 -0.42 -0.04 2.10 1.67 1ri6A1 MET 223 H 0.06 0.08 -0.23 -0.55 8.47 7.83 1ri6A1 MET 223 HA -0.15 0.12 0.58 -0.75 4.52 4.31 1ri6A1 MET 223 HB2 0.03 0.08 -0.03 -0.04 2.15 2.19 1ri6A1 MET 223 HB3 -0.37 -0.02 0.04 -0.04 2.03 1.64 1ri6A1 MET 223 HG2 -0.04 0.10 0.04 -0.04 2.63 2.69 1ri6A1 MET 223 HG3 -0.28 -0.01 -0.06 -0.04 2.56 2.17 1ri6A1 MET 223 HE3 -1.08 -0.02 -0.06 -0.04 2.10 0.90 1ri6A1 PRO 224 HA -0.46 0.08 0.41 -0.51 4.44 3.96 1ri6A1 PRO 224 HB2 -0.24 -0.09 0.01 -0.04 2.28 1.92 1ri6A1 PRO 224 HB3 -0.51 0.05 0.07 -0.04 2.02 1.59 1ri6A1 PRO 224 HG2 -0.59 0.05 0.02 -0.04 2.03 1.47 1ri6A1 PRO 224 HG3 -2.27 0.08 0.01 -0.04 2.03 -0.20 1ri6A1 PRO 224 HD2 -0.44 0.04 0.15 -0.04 3.68 3.38 1ri6A1 PRO 224 HD3 -0.60 0.17 0.13 -0.04 3.65 3.31 1ri6A1 GLU 225 H 0.01 0.13 0.15 -0.55 8.60 8.34 1ri6A1 GLU 225 HA 0.04 0.17 0.32 -0.75 4.29 4.07 1ri6A1 GLU 225 HB2 0.03 0.03 0.11 -0.04 2.09 2.21 1ri6A1 GLU 225 HB3 0.05 0.03 0.14 -0.04 1.99 2.16 1ri6A1 GLU 225 HG2 0.02 -0.06 0.06 -0.04 2.34 2.32 1ri6A1 GLU 225 HG3 0.01 0.03 -0.21 -0.04 2.34 2.13 1ri6A1 ASN 226 H -0.02 -0.03 -0.47 -0.55 8.53 7.46 1ri6A1 ASN 226 HA 0.00 0.24 0.75 -0.75 4.76 5.00 1ri6A1 ASN 226 HB2 -0.02 -0.03 -0.05 -0.04 2.88 2.73 1ri6A1 ASN 226 HB3 -0.01 0.01 0.07 -0.04 2.79 2.82 1ri6A1 ASN 226 HD21 -0.00 0.01 -0.05 -0.04 7.03 6.95 1ri6A1 ASN 226 HD22 -0.02 -0.01 -0.04 -0.04 7.74 7.64 1ri6A1 PHE 227 H 0.11 0.45 -0.32 -0.55 8.34 8.03 1ri6A1 PHE 227 HA -0.06 -0.00 0.46 -0.75 4.62 4.27 1ri6A1 PHE 227 HB2 -0.13 -0.07 0.05 -0.04 3.15 2.96 1ri6A1 PHE 227 HB3 -0.08 0.19 0.04 -0.04 3.06 3.18 1ri6A1 PHE 227 HD2 -0.04 0.07 -0.14 -0.04 7.28 7.14 1ri6A1 PHE 227 HE2 0.01 0.07 -0.21 -0.04 7.38 7.21 1ri6A1 PHE 227 HZ 0.05 0.14 -0.41 -0.04 7.32 7.06 1ri6A1 SER 228 H -0.59 0.09 0.01 -0.55 8.46 7.43 1ri6A1 SER 228 HA -0.27 0.17 0.52 -0.75 4.49 4.16 1ri6A1 SER 228 HB2 -0.12 -0.02 0.13 -0.04 3.95 3.90 1ri6A1 SER 228 HB3 -0.10 0.12 -0.24 -0.04 3.93 3.66 1ri6A1 ASP 229 H -1.76 0.10 -0.07 -0.55 8.40 6.13 1ri6A1 ASP 229 HA -0.26 0.21 0.77 -0.75 4.63 4.60 1ri6A1 ASP 229 HB2 -0.50 -0.04 -0.05 -0.04 2.71 2.08 1ri6A1 ASP 229 HB3 -0.32 0.03 -0.08 -0.04 2.70 2.30 1ri6A1 THR 230 H -0.01 0.12 0.08 -0.55 8.28 7.92 1ri6A1 THR 230 HA 0.02 0.10 0.44 -0.75 4.39 4.20 1ri6A1 THR 230 HB 0.04 -0.05 0.13 -0.04 4.32 4.40 1ri6A1 THR 230 HG23 -0.10 0.03 -0.13 -0.04 1.22 0.98 1ri6A1 ARG 231 H 0.14 0.21 0.21 -0.55 8.46 8.47 1ri6A1 ARG 231 HA 0.31 -0.09 0.47 -0.75 4.34 4.27 1ri6A1 ARG 231 HB2 0.14 0.22 0.08 -0.04 1.90 2.29 1ri6A1 ARG 231 HB3 0.16 -0.11 -0.25 -0.04 1.80 1.55 1ri6A1 ARG 231 HG2 0.26 -0.06 -0.15 -0.04 1.67 1.68 1ri6A1 ARG 231 HG3 0.43 0.05 -0.08 -0.04 1.67 2.03 1ri6A1 ARG 231 HD2 0.12 0.02 0.03 -0.04 3.22 3.36 1ri6A1 ARG 231 HD3 0.13 0.06 -0.12 -0.04 3.22 3.25 1ri6A1 TRP 232 H 0.25 -0.03 0.11 -0.55 7.97 7.75 1ri6A1 TRP 232 HA 0.02 0.29 0.75 -0.75 4.62 4.94 1ri6A1 TRP 232 HB2 0.05 0.11 -0.38 -0.04 3.23 2.97 1ri6A1 TRP 232 HB3 0.03 -0.31 0.17 -0.04 3.23 3.08 1ri6A1 TRP 232 HD1 0.01 0.11 0.02 -0.04 7.22 7.32 1ri6A1 TRP 232 HE1 0.01 0.01 0.00 -0.04 10.20 10.18 1ri6A1 TRP 232 HE3 0.04 -0.06 -0.19 -0.04 7.59 7.34 1ri6A1 TRP 232 HZ2 0.03 0.01 -0.01 -0.04 7.44 7.43 1ri6A1 TRP 232 HZ3 0.03 0.03 -0.06 -0.04 7.13 7.09 1ri6A1 TRP 232 HH2 0.03 0.01 -0.02 -0.04 7.19 7.17 1ri6A1 ALA 233 H 0.14 0.39 0.24 -0.55 8.40 8.62 1ri6A1 ALA 233 HA -0.02 0.04 0.70 -0.75 4.34 4.31 1ri6A1 ALA 233 HB3 0.03 -0.01 0.04 -0.04 1.41 1.43 1ri6A1 ALA 234 H -0.06 0.50 0.34 -0.55 8.40 8.63 1ri6A1 ALA 234 HA -0.22 0.19 1.15 -0.75 4.34 4.71 1ri6A1 ALA 234 HB3 -0.21 0.04 0.15 -0.04 1.41 1.35 1ri6A1 ASP 235 H 0.01 0.08 0.22 -0.55 8.40 8.16 1ri6A1 ASP 235 HA -0.14 0.22 1.01 -0.75 4.63 4.97 1ri6A1 ASP 235 HB2 -0.08 0.31 0.13 -0.04 2.71 3.02 1ri6A1 ASP 235 HB3 0.03 -0.10 -0.06 -0.04 2.70 2.53 1ri6A1 ILE 236 H -0.37 0.31 0.23 -0.55 8.25 7.87 1ri6A1 ILE 236 HA 0.15 0.32 0.86 -0.75 4.18 4.75 1ri6A1 ILE 236 HB 0.02 -0.02 -0.18 -0.04 1.89 1.67 1ri6A1 ILE 236 HG12 -0.02 -0.04 -0.28 -0.04 1.49 1.11 1ri6A1 ILE 236 HG13 0.06 0.24 0.01 -0.04 1.21 1.48 1ri6A1 ILE 236 HG23 -0.07 -0.00 -0.19 -0.04 0.93 0.63 1ri6A1 ILE 236 HD13 -0.00 -0.01 -0.32 -0.04 0.88 0.51 1ri6A1 HIS 237 H 0.20 0.62 0.30 -0.55 8.41 8.99 1ri6A1 HIS 237 HA -0.01 0.13 0.67 -0.75 4.63 4.67 1ri6A1 HIS 237 HB2 0.04 -0.07 -0.13 -0.04 3.26 3.07 1ri6A1 HIS 237 HB3 -0.02 0.04 0.03 -0.04 3.20 3.22 1ri6A1 HIS 237 HD2 -2.07 -0.13 -0.40 -0.04 6.97 4.33 1ri6A1 HIS 237 HE1 -0.21 -0.00 0.21 -0.04 7.75 7.71 1ri6A1 ILE 238 H 0.14 0.27 0.21 -0.55 8.25 8.32 1ri6A1 ILE 238 HA 0.09 0.27 1.08 -0.75 4.18 4.86 1ri6A1 ILE 238 HB -0.03 -0.07 -0.13 -0.04 1.89 1.62 1ri6A1 ILE 238 HG12 -0.08 0.10 -0.02 -0.04 1.49 1.45 1ri6A1 ILE 238 HG13 -0.10 0.16 -0.10 -0.04 1.21 1.13 1ri6A1 ILE 238 HG23 0.05 0.02 -0.05 -0.04 0.93 0.91 1ri6A1 ILE 238 HD13 -0.21 0.01 -0.12 -0.04 0.88 0.53 1ri6A1 THR 239 H 0.11 0.50 0.26 -0.55 8.28 8.60 1ri6A1 THR 239 HA 0.09 0.14 0.52 -0.75 4.39 4.38 1ri6A1 THR 239 HB 0.12 0.00 0.14 -0.04 4.32 4.55 1ri6A1 THR 239 HG23 0.30 0.05 -0.00 -0.04 1.22 1.52 1ri6A1 PRO 240 HA 0.04 0.13 0.46 -0.51 4.44 4.56 1ri6A1 PRO 240 HB2 0.05 -0.01 0.04 -0.04 2.28 2.33 1ri6A1 PRO 240 HB3 0.07 0.06 0.12 -0.04 2.02 2.23 1ri6A1 PRO 240 HG2 0.07 0.18 0.00 -0.04 2.03 2.24 1ri6A1 PRO 240 HG3 0.06 0.06 0.12 -0.04 2.03 2.23 1ri6A1 PRO 240 HD2 0.06 0.03 0.13 -0.04 3.68 3.85 1ri6A1 PRO 240 HD3 0.04 0.17 0.23 -0.04 3.65 4.05 1ri6A1 ASP 241 H 0.03 0.09 -0.18 -0.55 8.40 7.79 1ri6A1 ASP 241 HA 0.00 0.17 0.51 -0.75 4.63 4.56 1ri6A1 ASP 241 HB2 -0.01 0.04 0.12 -0.04 2.71 2.82 1ri6A1 ASP 241 HB3 0.02 0.04 0.07 -0.04 2.70 2.78 1ri6A1 GLY 242 H -0.08 0.44 -0.59 -0.55 8.43 7.66 1ri6A1 GLY 242 HA2 -0.28 0.07 0.25 -0.51 4.01 3.54 1ri6A1 GLY 242 HA3 -0.37 0.06 0.37 -0.51 4.01 3.55 1ri6A1 ARG 243 H -0.17 -0.04 -0.39 -0.55 8.46 7.31 1ri6A1 ARG 243 HA -0.17 0.25 0.67 -0.75 4.34 4.34 1ri6A1 ARG 243 HB2 -0.68 -0.04 -0.01 -0.04 1.90 1.13 1ri6A1 ARG 243 HB3 -0.50 0.03 0.06 -0.04 1.80 1.35 1ri6A1 ARG 243 HG2 -0.10 0.05 -0.06 -0.04 1.67 1.51 1ri6A1 ARG 243 HG3 -0.11 0.06 -0.16 -0.04 1.67 1.43 1ri6A1 ARG 243 HD2 -0.09 -0.01 -0.03 -0.04 3.22 3.05 1ri6A1 ARG 243 HD3 -0.09 -0.02 -0.01 -0.04 3.22 3.06 1ri6A1 HIS 244 H -0.15 -0.02 -0.01 -0.55 8.41 7.68 1ri6A1 HIS 244 HA -0.17 0.37 1.06 -0.75 4.63 5.14 1ri6A1 HIS 244 HB2 0.12 -0.14 0.01 -0.04 3.26 3.22 1ri6A1 HIS 244 HB3 -0.23 0.15 0.00 -0.04 3.20 3.07 1ri6A1 HIS 244 HD2 0.05 -0.06 -0.03 -0.04 6.97 6.88 1ri6A1 HIS 244 HE1 -0.01 0.21 -0.09 -0.04 7.75 7.81 1ri6A1 LEU 245 H -0.25 0.67 0.21 -0.55 8.37 8.45 1ri6A1 LEU 245 HA -0.05 0.22 1.06 -0.75 4.35 4.82 1ri6A1 LEU 245 HB2 -0.33 -0.02 -0.25 -0.04 1.64 1.00 1ri6A1 LEU 245 HB3 -0.22 -0.05 -0.09 -0.04 1.64 1.24 1ri6A1 LEU 245 HG -0.10 0.08 -0.29 -0.04 1.64 1.28 1ri6A1 LEU 245 HD13 -0.20 0.03 -0.28 -0.04 0.93 0.45 1ri6A1 LEU 245 HD23 -0.60 -0.02 -0.24 -0.04 0.89 -0.02 1ri6A1 TYR 246 H 0.27 0.74 0.34 -0.55 8.29 9.09 1ri6A1 TYR 246 HA 0.14 0.41 1.11 -0.75 4.56 5.46 1ri6A1 TYR 246 HB2 0.34 -0.08 -0.08 -0.04 3.06 3.20 1ri6A1 TYR 246 HB3 -0.12 0.01 -0.06 -0.04 2.98 2.76 1ri6A1 TYR 246 HD2 -0.00 0.03 -0.25 -0.04 7.15 6.89 1ri6A1 TYR 246 HE2 -0.04 0.02 -0.18 -0.04 6.85 6.61 1ri6A1 ALA 247 H 0.16 0.49 0.32 -0.55 8.40 8.82 1ri6A1 ALA 247 HA 0.32 0.36 0.86 -0.75 4.34 5.13 1ri6A1 ALA 247 HB3 0.19 -0.01 -0.06 -0.04 1.41 1.48 1ri6A1 CYS 248 H 0.16 0.41 0.30 -0.55 8.50 8.81 1ri6A1 CYS 248 HA -0.08 0.32 1.25 -0.75 4.58 5.32 1ri6A1 CYS 248 HB2 -0.10 0.10 0.02 -0.04 2.97 2.95 1ri6A1 CYS 248 HB3 -0.26 -0.05 -0.15 -0.04 2.97 2.47 1ri6A1 ASP 249 H -0.09 0.51 0.30 -0.55 8.40 8.58 1ri6A1 ASP 249 HA -0.07 0.20 0.96 -0.75 4.63 4.97 1ri6A1 ASP 249 HB2 -0.09 0.08 -0.10 -0.04 2.71 2.56 1ri6A1 ASP 249 HB3 -0.15 -0.04 0.08 -0.04 2.70 2.56 1ri6A1 ARG 250 H -0.20 0.74 0.22 -0.55 8.46 8.66 1ri6A1 ARG 250 HA -0.21 0.06 0.45 -0.75 4.34 3.89 1ri6A1 ARG 250 HB2 -1.13 0.16 0.17 -0.04 1.90 1.05 1ri6A1 ARG 250 HB3 -1.08 -0.03 0.00 -0.04 1.80 0.65 1ri6A1 ARG 250 HG2 -0.53 -0.10 -0.42 -0.04 1.67 0.58 1ri6A1 ARG 250 HG3 -0.48 0.15 -0.15 -0.04 1.67 1.15 1ri6A1 ARG 250 HD2 -1.84 -0.05 -0.03 -0.04 3.22 1.26 1ri6A1 ARG 250 HD3 -0.60 -0.03 -0.05 -0.04 3.22 2.50 1ri6A1 THR 251 H 0.18 0.03 -0.11 -0.55 8.28 7.83 1ri6A1 THR 251 HA 0.30 0.16 0.61 -0.75 4.39 4.71 1ri6A1 THR 251 HB 0.33 -0.11 0.10 -0.04 4.32 4.60 1ri6A1 THR 251 HG23 0.27 -0.03 -0.12 -0.04 1.22 1.31 1ri6A1 ALA 252 H 0.00 0.01 -0.09 -0.55 8.40 7.78 1ri6A1 ALA 252 HA 0.09 0.16 0.52 -0.75 4.34 4.36 1ri6A1 ALA 252 HB3 -0.20 -0.01 -0.00 -0.04 1.41 1.15 1ri6A1 SER 253 H -0.02 0.11 -0.47 -0.55 8.46 7.53 1ri6A1 SER 253 HA -0.06 0.08 0.34 -0.75 4.49 4.10 1ri6A1 SER 253 HB2 -0.01 0.15 -0.11 -0.04 3.95 3.94 1ri6A1 SER 253 HB3 -0.03 0.12 0.10 -0.04 3.93 4.09 1ri6A1 LEU 254 H -0.09 0.16 0.02 -0.55 8.37 7.91 1ri6A1 LEU 254 HA -0.08 0.32 0.89 -0.75 4.35 4.73 1ri6A1 LEU 254 HB2 -0.10 -0.13 -0.14 -0.04 1.64 1.23 1ri6A1 LEU 254 HB3 -0.02 -0.01 -0.18 -0.04 1.64 1.39 1ri6A1 LEU 254 HG -0.08 0.26 -0.39 -0.04 1.64 1.40 1ri6A1 LEU 254 HD13 -0.21 -0.03 -0.11 -0.04 0.93 0.54 1ri6A1 LEU 254 HD23 -0.02 -0.01 -0.28 -0.04 0.89 0.53 1ri6A1 ILE 255 H -0.12 0.50 0.22 -0.55 8.25 8.30 1ri6A1 ILE 255 HA -0.20 0.23 0.94 -0.75 4.18 4.39 1ri6A1 ILE 255 HB -0.30 -0.04 0.10 -0.04 1.89 1.61 1ri6A1 ILE 255 HG12 -0.50 0.01 -0.21 -0.04 1.49 0.75 1ri6A1 ILE 255 HG13 -0.28 0.00 -0.29 -0.04 1.21 0.60 1ri6A1 ILE 255 HG23 -0.34 0.00 -0.26 -0.04 0.93 0.30 1ri6A1 ILE 255 HD13 -0.53 -0.01 -0.20 -0.04 0.88 0.10 1ri6A1 THR 256 H -0.05 0.75 0.32 -0.55 8.28 8.75 1ri6A1 THR 256 HA -0.20 0.13 0.92 -0.75 4.39 4.48 1ri6A1 THR 256 HB -0.05 -0.11 0.12 -0.04 4.32 4.24 1ri6A1 THR 256 HG23 -0.79 -0.01 -0.08 -0.04 1.22 0.30 1ri6A1 VAL 257 H -0.49 0.69 0.39 -0.55 8.24 8.28 1ri6A1 VAL 257 HA -0.31 0.17 0.85 -0.75 4.13 4.08 1ri6A1 VAL 257 HB -0.29 -0.17 0.08 -0.04 2.12 1.70 1ri6A1 VAL 257 HG13 -0.19 0.00 -0.27 -0.04 0.97 0.48 1ri6A1 VAL 257 HG23 0.01 -0.02 -0.17 -0.04 0.95 0.73 1ri6A1 PHE 258 H -0.31 0.62 0.37 -0.55 8.34 8.46 1ri6A1 PHE 258 HA -0.20 0.18 1.11 -0.75 4.62 4.96 1ri6A1 PHE 258 HB2 -0.25 0.08 0.07 -0.04 3.15 3.01 1ri6A1 PHE 258 HB3 -0.19 -0.02 -0.07 -0.04 3.06 2.74 1ri6A1 PHE 258 HD2 -0.13 0.04 -0.36 -0.04 7.28 6.79 1ri6A1 PHE 258 HE2 -0.05 -0.03 -0.22 -0.04 7.38 7.04 1ri6A1 PHE 258 HZ -0.02 -0.03 -0.25 -0.04 7.32 6.98 1ri6A1 SER 259 H 0.01 0.57 0.39 -0.55 8.46 8.89 1ri6A1 SER 259 HA -0.02 0.30 0.93 -0.75 4.49 4.95 1ri6A1 SER 259 HB2 -0.02 0.05 0.09 -0.04 3.95 4.02 1ri6A1 SER 259 HB3 -0.02 0.02 0.07 -0.04 3.93 3.96 1ri6A1 VAL 260 H -0.10 0.59 0.25 -0.55 8.24 8.43 1ri6A1 VAL 260 HA -0.09 0.13 0.94 -0.75 4.13 4.36 1ri6A1 VAL 260 HB -0.06 0.17 0.11 -0.04 2.12 2.30 1ri6A1 VAL 260 HG13 0.05 0.03 -0.13 -0.04 0.97 0.87 1ri6A1 VAL 260 HG23 -0.20 -0.02 -0.45 -0.04 0.95 0.23 1ri6A1 SER 261 H -0.07 0.42 0.17 -0.55 8.46 8.43 1ri6A1 SER 261 HA -0.04 0.11 0.39 -0.75 4.49 4.20 1ri6A1 SER 261 HB2 -0.05 -0.04 0.15 -0.04 3.95 3.97 1ri6A1 SER 261 HB3 -0.06 0.19 0.15 -0.04 3.93 4.18 1ri6A1 GLU 262 H -0.03 0.12 0.18 -0.55 8.60 8.32 1ri6A1 GLU 262 HA -0.00 0.20 0.38 -0.75 4.29 4.12 1ri6A1 GLU 262 HB2 -0.01 -0.07 0.11 -0.04 2.09 2.08 1ri6A1 GLU 262 HB3 -0.00 0.06 0.06 -0.04 1.99 2.07 1ri6A1 GLU 262 HG2 -0.01 0.08 0.08 -0.04 2.34 2.45 1ri6A1 GLU 262 HG3 -0.02 -0.06 0.14 -0.04 2.34 2.36 1ri6A1 ASP 263 H -0.05 -0.01 -0.16 -0.55 8.40 7.63 1ri6A1 ASP 263 HA -0.03 0.25 0.67 -0.75 4.63 4.77 1ri6A1 ASP 263 HB2 0.03 0.06 0.10 -0.04 2.71 2.87 1ri6A1 ASP 263 HB3 -0.00 0.02 0.04 -0.04 2.70 2.71 1ri6A1 GLY 264 H -0.11 0.25 -0.62 -0.55 8.43 7.41 1ri6A1 GLY 264 HA2 -0.10 0.16 0.16 -0.51 4.01 3.72 1ri6A1 GLY 264 HA3 -0.46 0.08 0.36 -0.51 4.01 3.48 1ri6A1 SER 265 H -0.30 -0.04 -0.31 -0.55 8.46 7.27 1ri6A1 SER 265 HA -1.12 0.23 0.59 -0.75 4.49 3.43 1ri6A1 SER 265 HB2 -0.23 0.02 -0.00 -0.04 3.95 3.71 1ri6A1 SER 265 HB3 -0.36 0.05 -0.10 -0.04 3.93 3.47 1ri6A1 VAL 266 H -0.15 -0.03 -0.10 -0.55 8.24 7.40 1ri6A1 VAL 266 HA -0.09 0.25 1.03 -0.75 4.13 4.56 1ri6A1 VAL 266 HB -0.06 -0.12 0.06 -0.04 2.12 1.95 1ri6A1 VAL 266 HG13 -0.04 0.03 -0.18 -0.04 0.97 0.74 1ri6A1 VAL 266 HG23 -0.07 -0.00 -0.21 -0.04 0.95 0.64 1ri6A1 LEU 267 H -0.07 0.15 0.07 -0.55 8.37 7.98 1ri6A1 LEU 267 HA -0.08 0.32 0.81 -0.75 4.35 4.65 1ri6A1 LEU 267 HB2 -0.14 -0.05 -0.06 -0.04 1.64 1.35 1ri6A1 LEU 267 HB3 -0.19 0.03 -0.10 -0.04 1.64 1.34 1ri6A1 LEU 267 HG -0.11 -0.04 -0.23 -0.04 1.64 1.23 1ri6A1 LEU 267 HD13 -0.50 0.00 -0.23 -0.04 0.93 0.15 1ri6A1 LEU 267 HD23 -0.38 0.01 -0.25 -0.04 0.89 0.23 1ri6A1 SER 268 H 0.06 0.54 0.26 -0.55 8.46 8.78 1ri6A1 SER 268 HA 0.05 0.11 0.78 -0.75 4.49 4.68 1ri6A1 SER 268 HB2 -0.01 -0.03 0.03 -0.04 3.95 3.90 1ri6A1 SER 268 HB3 -0.01 0.06 -0.06 -0.04 3.93 3.87 1ri6A1 LYS 269 H 0.03 0.14 0.10 -0.55 8.42 8.13 1ri6A1 LYS 269 HA -0.48 0.16 0.65 -0.75 4.32 3.90 1ri6A1 LYS 269 HB2 -0.04 -0.04 0.14 -0.04 1.87 1.88 1ri6A1 LYS 269 HB3 -0.19 -0.01 0.02 -0.04 1.79 1.56 1ri6A1 LYS 269 HG2 -0.80 0.05 -0.00 -0.04 1.46 0.67 1ri6A1 LYS 269 HG3 -0.49 -0.03 -0.06 -0.04 1.46 0.84 1ri6A1 LYS 269 HD2 0.03 -0.10 -0.16 -0.04 1.69 1.41 1ri6A1 LYS 269 HD3 0.05 0.10 -0.21 -0.04 1.68 1.58 1ri6A1 LYS 269 HE2 0.11 0.07 0.03 -0.04 2.99 3.16 1ri6A1 LYS 269 HE3 0.05 -0.13 0.00 -0.04 2.99 2.87 1ri6A1 GLU 270 H -0.40 0.69 0.44 -0.55 8.60 8.79 1ri6A1 GLU 270 HA -0.16 0.11 0.78 -0.75 4.29 4.27 1ri6A1 GLU 270 HB2 -0.22 0.06 -0.03 -0.04 2.09 1.86 1ri6A1 GLU 270 HB3 -0.14 -0.10 -0.04 -0.04 1.99 1.68 1ri6A1 GLU 270 HG2 -0.11 0.04 -0.06 -0.04 2.34 2.17 1ri6A1 GLU 270 HG3 -0.08 0.18 -0.05 -0.04 2.34 2.36 1ri6A1 GLY 271 H -0.60 0.36 0.30 -0.55 8.43 7.95 1ri6A1 GLY 271 HA2 -0.53 0.05 0.33 -0.51 4.01 3.35 1ri6A1 GLY 271 HA3 -0.28 0.08 0.46 -0.51 4.01 3.76 1ri6A1 PHE 272 H -0.03 0.24 0.22 -0.55 8.34 8.22 1ri6A1 PHE 272 HA -0.15 0.29 1.09 -0.75 4.62 5.09 1ri6A1 PHE 272 HB2 -0.10 -0.01 -0.00 -0.04 3.15 3.00 1ri6A1 PHE 272 HB3 -0.13 0.01 -0.04 -0.04 3.06 2.86 1ri6A1 PHE 272 HD2 -0.13 0.02 -0.05 -0.04 7.28 7.08 1ri6A1 PHE 272 HE2 -0.12 0.18 -0.19 -0.04 7.38 7.21 1ri6A1 PHE 272 HZ -0.10 0.05 -0.24 -0.04 7.32 6.99 1ri6A1 GLN 273 H -0.06 0.61 0.29 -0.55 8.47 8.77 1ri6A1 GLN 273 HA -0.06 0.25 1.08 -0.75 4.36 4.87 1ri6A1 GLN 273 HB2 -0.19 -0.06 -0.03 -0.04 2.15 1.83 1ri6A1 GLN 273 HB3 -0.28 -0.03 0.13 -0.04 2.02 1.80 1ri6A1 GLN 273 HG2 -0.72 -0.11 -0.12 -0.04 2.40 1.40 1ri6A1 GLN 273 HG3 -0.34 0.14 -0.39 -0.04 2.39 1.77 1ri6A1 GLN 273 HE21 0.03 -0.11 0.05 -0.04 6.97 6.90 1ri6A1 GLN 273 HE22 0.04 0.53 0.03 -0.04 7.69 8.24 1ri6A1 PRO 274 HA -0.04 0.22 0.61 -0.51 4.44 4.72 1ri6A1 PRO 274 HB2 -0.01 -0.03 0.07 -0.04 2.28 2.27 1ri6A1 PRO 274 HB3 -0.02 0.08 0.11 -0.04 2.02 2.15 1ri6A1 PRO 274 HG2 -0.01 0.01 0.08 -0.04 2.03 2.07 1ri6A1 PRO 274 HG3 -0.01 0.03 0.03 -0.04 2.03 2.04 1ri6A1 PRO 274 HD2 -0.02 0.07 0.24 -0.04 3.68 3.94 1ri6A1 PRO 274 HD3 -0.01 0.23 0.13 -0.04 3.65 3.97 1ri6A1 THR 275 H -0.03 0.62 0.26 -0.55 8.28 8.59 1ri6A1 THR 275 HA 0.10 0.12 0.67 -0.75 4.39 4.53 1ri6A1 THR 275 HB -0.14 0.07 -0.38 -0.04 4.32 3.84 1ri6A1 THR 275 HG23 -0.08 0.06 -0.38 -0.04 1.22 0.78 1ri6A1 GLU 276 H 0.06 0.08 -0.05 -0.55 8.60 8.14 1ri6A1 GLU 276 HA -0.01 0.00 0.28 -0.75 4.29 3.81 1ri6A1 GLU 276 HB2 0.02 0.04 -0.40 -0.04 2.09 1.71 1ri6A1 GLU 276 HB3 0.01 -0.06 -0.08 -0.04 1.99 1.81 1ri6A1 GLU 276 HG2 0.04 -0.06 -0.06 -0.04 2.34 2.23 1ri6A1 GLU 276 HG3 0.04 0.14 -0.13 -0.04 2.34 2.35 1ri6A1 THR 277 H -0.02 0.07 0.11 -0.55 8.28 7.89 1ri6A1 THR 277 HA -0.02 0.11 0.37 -0.75 4.39 4.10 1ri6A1 THR 277 HB -0.04 -0.11 -0.10 -0.04 4.32 4.03 1ri6A1 THR 277 HG23 0.00 0.03 -0.08 -0.04 1.22 1.13 1ri6A1 GLN 278 H -0.03 0.18 0.21 -0.55 8.47 8.28 1ri6A1 GLN 278 HA -0.11 0.22 0.50 -0.75 4.36 4.22 1ri6A1 GLN 278 HB2 -0.01 0.03 -0.02 -0.04 2.15 2.11 1ri6A1 GLN 278 HB3 -0.06 -0.12 0.21 -0.04 2.02 2.01 1ri6A1 GLN 278 HG2 -0.27 -0.06 0.05 -0.04 2.40 2.08 1ri6A1 GLN 278 HG3 -0.35 0.08 0.07 -0.04 2.39 2.15 1ri6A1 GLN 278 HE21 0.16 0.01 -0.02 -0.04 6.97 7.08 1ri6A1 GLN 278 HE22 -0.09 -0.02 0.00 -0.04 7.69 7.55 1ri6A1 PRO 279 HA -0.05 0.27 0.72 -0.51 4.44 4.87 1ri6A1 PRO 279 HB2 -0.04 -0.05 -0.11 -0.04 2.28 2.03 1ri6A1 PRO 279 HB3 -0.05 0.09 -0.08 -0.04 2.02 1.94 1ri6A1 PRO 279 HG2 -0.10 -0.09 -0.09 -0.04 2.03 1.71 1ri6A1 PRO 279 HG3 -0.09 -0.00 -0.15 -0.04 2.03 1.75 1ri6A1 PRO 279 HD2 -0.10 0.03 0.23 -0.04 3.68 3.80 1ri6A1 PRO 279 HD3 -0.06 0.34 0.11 -0.04 3.65 4.00 1ri6A1 ARG 280 H -0.05 0.19 0.33 -0.55 8.46 8.37 1ri6A1 ARG 280 HA -0.18 0.10 0.81 -0.75 4.34 4.32 1ri6A1 ARG 280 HB2 -0.16 -0.01 0.09 -0.04 1.90 1.78 1ri6A1 ARG 280 HB3 -0.02 0.02 0.23 -0.04 1.80 1.99 1ri6A1 ARG 280 HG2 0.02 0.14 -0.02 -0.04 1.67 1.77 1ri6A1 ARG 280 HG3 -0.11 -0.04 0.14 -0.04 1.67 1.61 1ri6A1 ARG 280 HD2 -0.05 -0.04 0.05 -0.04 3.22 3.14 1ri6A1 ARG 280 HD3 0.05 0.01 0.06 -0.04 3.22 3.31 1ri6A1 GLY 281 H 0.02 0.10 0.14 -0.55 8.43 8.14 1ri6A1 GLY 281 HA2 -0.09 0.18 0.90 -0.51 4.01 4.48 1ri6A1 GLY 281 HA3 -0.08 0.12 0.05 -0.51 4.01 3.60 1ri6A1 PHE 282 H -0.22 0.41 0.25 -0.55 8.34 8.24 1ri6A1 PHE 282 HA -0.05 0.13 0.58 -0.75 4.62 4.52 1ri6A1 PHE 282 HB2 -0.04 0.12 0.04 -0.04 3.15 3.23 1ri6A1 PHE 282 HB3 -0.03 -0.01 -0.22 -0.04 3.06 2.76 1ri6A1 PHE 282 HD2 -0.04 0.00 -0.33 -0.04 7.28 6.87 1ri6A1 PHE 282 HE2 0.06 0.02 -0.35 -0.04 7.38 7.07 1ri6A1 PHE 282 HZ 0.15 0.14 -0.58 -0.04 7.32 6.99 1ri6A1 ASN 283 H 0.12 0.58 0.30 -0.55 8.53 8.98 1ri6A1 ASN 283 HA -0.91 0.08 0.36 -0.75 4.76 3.54 1ri6A1 ASN 283 HB2 -0.30 0.12 -0.39 -0.04 2.88 2.26 1ri6A1 ASN 283 HB3 -0.19 -0.07 -0.19 -0.04 2.79 2.30 1ri6A1 ASN 283 HD21 -0.20 -0.06 0.24 -0.04 7.03 6.97 1ri6A1 ASN 283 HD22 -0.23 0.61 0.35 -0.04 7.74 8.43 1ri6A1 VAL 284 H -0.24 0.26 0.19 -0.55 8.24 7.91 1ri6A1 VAL 284 HA -0.02 0.22 1.07 -0.75 4.13 4.65 1ri6A1 VAL 284 HB -0.00 -0.01 0.07 -0.04 2.12 2.13 1ri6A1 VAL 284 HG13 0.04 -0.02 -0.27 -0.04 0.97 0.68 1ri6A1 VAL 284 HG23 -0.01 0.01 -0.11 -0.04 0.95 0.80 1ri6A1 ASP 285 H 0.02 0.38 0.25 -0.55 8.40 8.49 1ri6A1 ASP 285 HA -0.08 0.20 0.55 -0.75 4.63 4.55 1ri6A1 ASP 285 HB2 0.08 0.04 0.09 -0.04 2.71 2.89 1ri6A1 ASP 285 HB3 0.09 0.10 0.04 -0.04 2.70 2.89 1ri6A1 HIS 286 H 0.10 0.18 0.11 -0.55 8.41 8.25 1ri6A1 HIS 286 HA 0.05 0.21 0.53 -0.75 4.63 4.67 1ri6A1 HIS 286 HB2 0.05 -0.03 0.08 -0.04 3.26 3.32 1ri6A1 HIS 286 HB3 0.05 0.06 0.12 -0.04 3.20 3.38 1ri6A1 HIS 286 HD2 0.07 -0.06 -0.21 -0.04 6.97 6.73 1ri6A1 HIS 286 HE1 0.07 0.04 0.11 -0.04 7.75 7.92 1ri6A1 SER 287 H 0.10 -0.03 -0.25 -0.55 8.46 7.74 1ri6A1 SER 287 HA 0.08 0.25 0.70 -0.75 4.49 4.76 1ri6A1 SER 287 HB2 0.06 0.08 0.09 -0.04 3.95 4.14 1ri6A1 SER 287 HB3 0.10 0.01 0.02 -0.04 3.93 4.01 1ri6A1 GLY 288 H 0.04 0.25 -0.33 -0.55 8.43 7.84 1ri6A1 GLY 288 HA2 0.04 0.07 0.29 -0.51 4.01 3.90 1ri6A1 GLY 288 HA3 0.06 0.05 0.42 -0.51 4.01 4.03 1ri6A1 LYS 289 H -0.04 -0.14 -0.23 -0.55 8.42 7.45 1ri6A1 LYS 289 HA -0.20 0.34 0.97 -0.75 4.32 4.68 1ri6A1 LYS 289 HB2 -0.16 0.09 -0.12 -0.04 1.87 1.64 1ri6A1 LYS 289 HB3 -0.38 -0.07 -0.04 -0.04 1.79 1.26 1ri6A1 LYS 289 HG2 -1.09 -0.05 -0.05 -0.04 1.46 0.24 1ri6A1 LYS 289 HG3 -0.33 0.11 0.11 -0.04 1.46 1.31 1ri6A1 LYS 289 HD2 -0.11 -0.00 -0.01 -0.04 1.69 1.52 1ri6A1 LYS 289 HD3 -0.16 0.03 -0.03 -0.04 1.68 1.47 1ri6A1 LYS 289 HE2 -0.19 -0.00 -0.03 -0.04 2.99 2.73 1ri6A1 LYS 289 HE3 -0.14 -0.00 0.00 -0.04 2.99 2.81 1ri6A1 TYR 290 H -0.01 -0.10 0.10 -0.55 8.29 7.74 1ri6A1 TYR 290 HA -0.02 0.45 1.19 -0.75 4.56 5.43 1ri6A1 TYR 290 HB2 -0.03 -0.15 0.00 -0.04 3.06 2.85 1ri6A1 TYR 290 HB3 -0.03 0.08 -0.04 -0.04 2.98 2.94 1ri6A1 TYR 290 HD2 -0.01 -0.01 -0.18 -0.04 7.15 6.91 1ri6A1 TYR 290 HE2 -0.01 0.06 -0.17 -0.04 6.85 6.69 1ri6A1 LEU 291 H 0.13 0.74 0.30 -0.55 8.37 8.99 1ri6A1 LEU 291 HA 0.01 0.21 1.01 -0.75 4.35 4.82 1ri6A1 LEU 291 HB2 -0.26 0.01 -0.23 -0.04 1.64 1.12 1ri6A1 LEU 291 HB3 -0.08 -0.05 -0.02 -0.04 1.64 1.44 1ri6A1 LEU 291 HG -0.19 -0.05 -0.31 -0.04 1.64 1.05 1ri6A1 LEU 291 HD13 0.23 0.01 -0.16 -0.04 0.93 0.97 1ri6A1 LEU 291 HD23 -0.79 -0.00 -0.24 -0.04 0.89 -0.18 1ri6A1 ILE 292 H 0.05 0.65 0.24 -0.55 8.25 8.64 1ri6A1 ILE 292 HA 0.04 0.35 1.10 -0.75 4.18 4.92 1ri6A1 ILE 292 HB -0.02 -0.03 -0.02 -0.04 1.89 1.78 1ri6A1 ILE 292 HG12 -0.14 0.01 -0.22 -0.04 1.49 1.10 1ri6A1 ILE 292 HG13 -0.07 0.03 -0.29 -0.04 1.21 0.84 1ri6A1 ILE 292 HG23 -0.11 -0.00 -0.29 -0.04 0.93 0.48 1ri6A1 ILE 292 HD13 -0.00 -0.03 -0.31 -0.04 0.88 0.49 1ri6A1 ALA 293 H 0.10 0.58 0.31 -0.55 8.40 8.84 1ri6A1 ALA 293 HA 0.16 0.17 1.12 -0.75 4.34 5.04 1ri6A1 ALA 293 HB3 0.05 0.01 -0.07 -0.04 1.41 1.35 1ri6A1 ALA 294 H 0.09 0.63 0.29 -0.55 8.40 8.86 1ri6A1 ALA 294 HA 0.04 0.21 0.99 -0.75 4.34 4.82 1ri6A1 ALA 294 HB3 0.07 -0.00 -0.16 -0.04 1.41 1.28 1ri6A1 GLY 295 H 0.03 0.51 0.25 -0.55 8.43 8.68 1ri6A1 GLY 295 HA2 -0.02 0.27 0.55 -0.51 4.01 4.29 1ri6A1 GLY 295 HA3 -0.02 -0.16 0.21 -0.51 4.01 3.54 1ri6A1 GLN 296 H -0.05 0.58 0.25 -0.55 8.47 8.71 1ri6A1 GLN 296 HA 0.01 0.10 0.35 -0.75 4.36 4.07 1ri6A1 GLN 296 HB2 -0.04 -0.04 0.27 -0.04 2.15 2.30 1ri6A1 GLN 296 HB3 -0.06 0.05 0.23 -0.04 2.02 2.20 1ri6A1 GLN 296 HG2 0.04 -0.06 -0.01 -0.04 2.40 2.33 1ri6A1 GLN 296 HG3 0.05 0.03 0.05 -0.04 2.39 2.48 1ri6A1 GLN 296 HE21 0.07 -0.02 0.03 -0.04 6.97 7.00 1ri6A1 GLN 296 HE22 0.08 0.01 0.03 -0.04 7.69 7.77 1ri6A1 LYS 297 H -0.09 0.51 -0.17 -0.55 8.42 8.11 1ri6A1 LYS 297 HA -0.19 0.19 0.92 -0.75 4.32 4.49 1ri6A1 LYS 297 HB2 -0.04 0.00 -0.13 -0.04 1.87 1.67 1ri6A1 LYS 297 HB3 -0.02 -0.02 0.10 -0.04 1.79 1.81 1ri6A1 LYS 297 HG2 0.01 -0.01 -0.15 -0.04 1.46 1.27 1ri6A1 LYS 297 HG3 0.06 -0.01 -0.04 -0.04 1.46 1.43 1ri6A1 LYS 297 HD2 0.07 -0.03 0.03 -0.04 1.69 1.72 1ri6A1 LYS 297 HD3 0.05 0.11 -0.01 -0.04 1.68 1.79 1ri6A1 LYS 297 HE2 0.11 0.01 -0.05 -0.04 2.99 3.02 1ri6A1 LYS 297 HE3 0.12 -0.02 -0.01 -0.04 2.99 3.04 1ri6A1 SER 298 H -0.20 0.26 -0.17 -0.55 8.46 7.81 1ri6A1 SER 298 HA -0.08 0.23 0.92 -0.75 4.49 4.80 1ri6A1 SER 298 HB2 -0.00 0.03 0.10 -0.04 3.95 4.04 1ri6A1 SER 298 HB3 -0.04 -0.13 0.08 -0.04 3.93 3.80 1ri6A1 HIS 299 H -0.26 0.48 0.15 -0.55 8.41 8.24 1ri6A1 HIS 299 HA 0.02 0.06 0.40 -0.75 4.63 4.36 1ri6A1 HIS 299 HB2 0.04 0.14 0.08 -0.04 3.26 3.48 1ri6A1 HIS 299 HB3 -0.01 0.12 0.11 -0.04 3.20 3.38 1ri6A1 HIS 299 HD2 0.08 0.06 -0.24 -0.04 6.97 6.82 1ri6A1 HIS 299 HE1 0.05 0.07 0.07 -0.04 7.75 7.89 1ri6A1 HIS 300 H 0.11 0.09 -0.08 -0.55 8.41 7.98 1ri6A1 HIS 300 HA 0.04 0.17 0.88 -0.75 4.63 4.97 1ri6A1 HIS 300 HB2 -0.00 -0.12 -0.13 -0.04 3.26 2.97 1ri6A1 HIS 300 HB3 -0.01 0.02 -0.05 -0.04 3.20 3.12 1ri6A1 HIS 300 HD2 0.00 -0.09 -0.50 -0.04 6.97 6.34 1ri6A1 HIS 300 HE1 0.05 -0.03 -0.02 -0.04 7.75 7.71 1ri6A1 ILE 301 H 0.08 0.70 0.35 -0.55 8.25 8.82 1ri6A1 ILE 301 HA 0.02 0.32 1.04 -0.75 4.18 4.82 1ri6A1 ILE 301 HB -0.08 0.02 -0.15 -0.04 1.89 1.63 1ri6A1 ILE 301 HG12 -0.14 0.10 -0.07 -0.04 1.49 1.34 1ri6A1 ILE 301 HG13 -0.18 -0.08 -0.22 -0.04 1.21 0.68 1ri6A1 ILE 301 HG23 0.01 -0.02 -0.29 -0.04 0.93 0.59 1ri6A1 ILE 301 HD13 -0.71 -0.01 -0.24 -0.04 0.88 -0.11 1ri6A1 SER 302 H -0.00 0.54 0.35 -0.55 8.46 8.79 1ri6A1 SER 302 HA -0.11 0.27 1.15 -0.75 4.49 5.04 1ri6A1 SER 302 HB2 -0.09 -0.07 0.10 -0.04 3.95 3.85 1ri6A1 SER 302 HB3 -0.57 0.06 0.05 -0.04 3.93 3.42 1ri6A1 VAL 303 H -0.21 0.56 0.35 -0.55 8.24 8.39 1ri6A1 VAL 303 HA -0.07 0.27 1.04 -0.75 4.13 4.62 1ri6A1 VAL 303 HB -0.06 -0.08 0.13 -0.04 2.12 2.06 1ri6A1 VAL 303 HG13 -0.08 0.05 -0.13 -0.04 0.97 0.77 1ri6A1 VAL 303 HG23 -0.22 -0.00 -0.20 -0.04 0.95 0.49 1ri6A1 TYR 304 H 0.17 0.67 0.37 -0.55 8.29 8.95 1ri6A1 TYR 304 HA 0.04 0.22 0.95 -0.75 4.56 5.02 1ri6A1 TYR 304 HB2 -0.09 -0.03 -0.08 -0.04 3.06 2.83 1ri6A1 TYR 304 HB3 -0.04 -0.07 -0.18 -0.04 2.98 2.65 1ri6A1 TYR 304 HD2 -0.08 0.08 -0.26 -0.04 7.15 6.85 1ri6A1 TYR 304 HE2 -0.08 0.01 -0.10 -0.04 6.85 6.63 1ri6A1 GLU 305 H 0.20 0.62 0.29 -0.55 8.60 9.16 1ri6A1 GLU 305 HA -0.07 0.25 0.97 -0.75 4.29 4.69 1ri6A1 GLU 305 HB2 0.14 -0.00 0.04 -0.04 2.09 2.23 1ri6A1 GLU 305 HB3 0.04 -0.06 0.11 -0.04 1.99 2.03 1ri6A1 GLU 305 HG2 -0.16 0.10 -0.27 -0.04 2.34 1.97 1ri6A1 GLU 305 HG3 -0.42 0.04 0.04 -0.04 2.34 1.97 1ri6A1 ILE 306 H -0.21 0.85 0.22 -0.55 8.25 8.56 1ri6A1 ILE 306 HA -0.10 0.18 0.45 -0.75 4.18 3.96 1ri6A1 ILE 306 HB -0.15 0.04 0.10 -0.04 1.89 1.85 1ri6A1 ILE 306 HG12 -0.21 0.06 -0.28 -0.04 1.49 1.02 1ri6A1 ILE 306 HG13 -0.14 -0.08 -0.45 -0.04 1.21 0.49 1ri6A1 ILE 306 HG23 -0.23 0.03 -0.18 -0.04 0.93 0.51 1ri6A1 ILE 306 HD13 -0.06 -0.04 -0.43 -0.04 0.88 0.31 1ri6A1 VAL 307 H -0.07 0.70 0.10 -0.55 8.24 8.42 1ri6A1 VAL 307 HA -0.08 0.19 1.05 -0.75 4.13 4.53 1ri6A1 VAL 307 HB -0.03 -0.02 -0.04 -0.04 2.12 1.99 1ri6A1 VAL 307 HG13 -0.04 -0.03 -0.12 -0.04 0.97 0.74 1ri6A1 VAL 307 HG23 -0.04 0.06 -0.23 -0.04 0.95 0.70 1ri6A1 GLY 308 H -0.04 0.15 0.12 -0.55 8.43 8.11 1ri6A1 GLY 308 HA2 -0.01 0.06 0.33 -0.51 4.01 3.89 1ri6A1 GLY 308 HA3 -0.01 -0.02 0.36 -0.51 4.01 3.82 1ri6A1 GLU 309 H 0.02 0.10 0.17 -0.55 8.60 8.33 1ri6A1 GLU 309 HA 0.11 0.14 0.43 -0.75 4.29 4.22 1ri6A1 GLU 309 HB2 0.02 -0.04 0.10 -0.04 2.09 2.12 1ri6A1 GLU 309 HB3 0.03 0.06 0.02 -0.04 1.99 2.06 1ri6A1 GLU 309 HG2 0.02 0.05 0.03 -0.04 2.34 2.40 1ri6A1 GLU 309 HG3 0.01 -0.08 0.11 -0.04 2.34 2.34 1ri6A1 GLN 310 H 0.01 0.01 -0.00 -0.55 8.47 7.94 1ri6A1 GLN 310 HA 0.01 0.09 0.37 -0.75 4.36 4.08 1ri6A1 GLN 310 HB2 -0.03 -0.05 0.05 -0.04 2.15 2.07 1ri6A1 GLN 310 HB3 -0.05 0.03 -0.08 -0.04 2.02 1.88 1ri6A1 GLN 310 HG2 -0.03 0.05 0.01 -0.04 2.40 2.38 1ri6A1 GLN 310 HG3 -0.02 -0.07 0.03 -0.04 2.39 2.29 1ri6A1 GLN 310 HE21 -0.05 0.04 0.03 -0.04 6.97 6.95 1ri6A1 GLN 310 HE22 -0.06 0.01 0.03 -0.04 7.69 7.63 1ri6A1 GLY 311 H -0.06 0.16 -0.60 -0.55 8.43 7.39 1ri6A1 GLY 311 HA2 -0.31 0.07 0.03 -0.51 4.01 3.29 1ri6A1 GLY 311 HA3 -0.44 0.04 0.22 -0.51 4.01 3.32 1ri6A1 LEU 312 H -0.06 0.02 -0.21 -0.55 8.37 7.57 1ri6A1 LEU 312 HA -0.04 0.08 0.31 -0.75 4.35 3.94 1ri6A1 LEU 312 HB2 -0.03 -0.03 -0.06 -0.04 1.64 1.47 1ri6A1 LEU 312 HB3 -0.04 0.03 -0.01 -0.04 1.64 1.58 1ri6A1 LEU 312 HG -0.06 -0.09 -0.15 -0.04 1.64 1.31 1ri6A1 LEU 312 HD13 -0.04 0.00 -0.05 -0.04 0.93 0.81 1ri6A1 LEU 312 HD23 -0.10 0.04 -0.21 -0.04 0.89 0.57 1ri6A1 LEU 313 H -0.07 0.11 0.07 -0.55 8.37 7.93 1ri6A1 LEU 313 HA -0.01 0.38 0.85 -0.75 4.35 4.82 1ri6A1 LEU 313 HB2 -0.25 -0.02 -0.01 -0.04 1.64 1.32 1ri6A1 LEU 313 HB3 -0.21 -0.05 -0.15 -0.04 1.64 1.20 1ri6A1 LEU 313 HG -0.13 -0.01 -0.15 -0.04 1.64 1.31 1ri6A1 LEU 313 HD13 -0.56 -0.01 -0.17 -0.04 0.93 0.15 1ri6A1 LEU 313 HD23 -0.30 0.03 -0.36 -0.04 0.89 0.22 1ri6A1 HIS 314 H 0.17 0.47 0.22 -0.55 8.41 8.72 1ri6A1 HIS 314 HA 0.06 0.13 0.91 -0.75 4.63 4.98 1ri6A1 HIS 314 HB2 0.00 -0.00 -0.10 -0.04 3.26 3.13 1ri6A1 HIS 314 HB3 0.02 -0.02 0.15 -0.04 3.20 3.31 1ri6A1 HIS 314 HD2 -0.00 -0.03 -0.02 -0.04 6.97 6.87 1ri6A1 HIS 314 HE1 -0.01 0.01 -0.00 -0.04 7.75 7.71 1ri6A1 GLU 315 H -0.10 0.15 0.10 -0.55 8.60 8.20 1ri6A1 GLU 315 HA -0.24 0.08 0.50 -0.75 4.29 3.88 1ri6A1 GLU 315 HB2 -0.04 0.02 0.09 -0.04 2.09 2.12 1ri6A1 GLU 315 HB3 -0.17 -0.00 0.07 -0.04 1.99 1.85 1ri6A1 GLU 315 HG2 -0.23 -0.01 -0.18 -0.04 2.34 1.87 1ri6A1 GLU 315 HG3 -0.52 0.01 0.01 -0.04 2.34 1.80 1ri6A1 LYS 316 H -0.17 0.54 0.48 -0.55 8.42 8.72 1ri6A1 LYS 316 HA 0.03 0.17 0.95 -0.75 4.32 4.72 1ri6A1 LYS 316 HB2 -0.01 0.01 0.03 -0.04 1.87 1.86 1ri6A1 LYS 316 HB3 0.01 -0.02 -0.02 -0.04 1.79 1.72 1ri6A1 LYS 316 HG2 0.18 0.13 -0.19 -0.04 1.46 1.53 1ri6A1 LYS 316 HG3 0.19 -0.05 -0.14 -0.04 1.46 1.43 1ri6A1 LYS 316 HD2 0.11 0.01 -0.01 -0.04 1.69 1.76 1ri6A1 LYS 316 HD3 0.11 -0.05 -0.05 -0.04 1.68 1.65 1ri6A1 LYS 316 HE2 0.13 0.09 0.01 -0.04 2.99 3.18 1ri6A1 LYS 316 HE3 0.02 -0.06 -0.01 -0.04 2.99 2.90 1ri6A1 GLY 317 H -0.16 0.27 0.38 -0.55 8.43 8.38 1ri6A1 GLY 317 HA2 -0.19 0.15 0.64 -0.51 4.01 4.10 1ri6A1 GLY 317 HA3 -0.16 0.05 0.33 -0.51 4.01 3.72 1ri6A1 ARG 318 H -0.43 0.28 0.21 -0.55 8.46 7.97 1ri6A1 ARG 318 HA -0.09 0.25 1.07 -0.75 4.34 4.82 1ri6A1 ARG 318 HB2 -0.16 -0.02 -0.10 -0.04 1.90 1.57 1ri6A1 ARG 318 HB3 -0.17 -0.01 0.08 -0.04 1.80 1.66 1ri6A1 ARG 318 HG2 -0.06 -0.01 -0.18 -0.04 1.67 1.38 1ri6A1 ARG 318 HG3 -0.03 0.09 -0.01 -0.04 1.67 1.68 1ri6A1 ARG 318 HD2 -0.13 -0.01 -0.09 -0.04 3.22 2.95 1ri6A1 ARG 318 HD3 -0.18 -0.01 -0.08 -0.04 3.22 2.92 1ri6A1 TYR 319 H 0.12 0.75 0.35 -0.55 8.29 8.96 1ri6A1 TYR 319 HA -0.01 0.16 1.03 -0.75 4.56 4.99 1ri6A1 TYR 319 HB2 -0.58 -0.04 -0.05 -0.04 3.06 2.34 1ri6A1 TYR 319 HB3 -0.43 0.07 -0.02 -0.04 2.98 2.56 1ri6A1 TYR 319 HD2 -0.29 0.05 -0.18 -0.04 7.15 6.69 1ri6A1 TYR 319 HE2 -0.18 0.11 -0.08 -0.04 6.85 6.67 1ri6A1 ALA 320 H 0.18 0.13 0.18 -0.55 8.40 8.35 1ri6A1 ALA 320 HA -0.61 0.16 0.76 -0.75 4.34 3.90 1ri6A1 ALA 320 HB3 -0.04 0.02 0.13 -0.04 1.41 1.48 1ri6A1 VAL 321 H -0.21 0.53 0.20 -0.55 8.24 8.21 1ri6A1 VAL 321 HA -0.57 0.14 0.74 -0.75 4.13 3.68 1ri6A1 VAL 321 HB -0.29 -0.19 0.05 -0.04 2.12 1.65 1ri6A1 VAL 321 HG13 0.19 0.00 -0.31 -0.04 0.97 0.80 1ri6A1 VAL 321 HG23 -0.02 0.07 -0.28 -0.04 0.95 0.68 1ri6A1 GLY 322 H -0.21 0.04 -0.03 -0.55 8.43 7.68 1ri6A1 GLY 322 HA2 0.07 0.19 0.57 -0.51 4.01 4.33 1ri6A1 GLY 322 HA3 0.11 0.00 0.28 -0.51 4.01 3.89 1ri6A1 GLN 323 H 0.04 0.09 0.09 -0.55 8.47 8.15 1ri6A1 GLN 323 HA 0.03 0.17 0.69 -0.75 4.36 4.49 1ri6A1 GLN 323 HB2 0.01 -0.08 -0.03 -0.04 2.15 2.00 1ri6A1 GLN 323 HB3 -0.05 0.06 -0.05 -0.04 2.02 1.94 1ri6A1 GLN 323 HG2 -0.08 -0.02 -0.02 -0.04 2.40 2.24 1ri6A1 GLN 323 HG3 -0.11 0.04 -0.04 -0.04 2.39 2.24 1ri6A1 GLN 323 HE21 -0.81 0.03 -0.04 -0.04 6.97 6.11 1ri6A1 GLN 323 HE22 -0.33 -0.01 -0.02 -0.04 7.69 7.29 1ri6A1 GLY 324 H 0.82 0.17 0.20 -0.55 8.43 9.07 1ri6A1 GLY 324 HA2 0.15 0.41 0.52 -0.51 4.01 4.58 1ri6A1 GLY 324 HA3 0.16 -0.06 0.48 -0.51 4.01 4.08 1ri6A1 PRO 325 HA 0.13 0.33 0.62 -0.51 4.44 5.01 1ri6A1 PRO 325 HB2 0.09 -0.03 -0.14 -0.04 2.28 2.17 1ri6A1 PRO 325 HB3 0.09 -0.05 -0.15 -0.04 2.02 1.87 1ri6A1 PRO 325 HG2 0.05 -0.06 -0.19 -0.04 2.03 1.79 1ri6A1 PRO 325 HG3 0.06 -0.01 -0.12 -0.04 2.03 1.91 1ri6A1 PRO 325 HD2 0.10 0.08 0.23 -0.04 3.68 4.05 1ri6A1 PRO 325 HD3 0.16 0.35 -0.06 -0.04 3.65 4.06 1ri6A1 MET 326 H 0.19 0.47 0.38 -0.55 8.47 8.95 1ri6A1 MET 326 HA 0.10 -0.04 0.62 -0.75 4.52 4.44 1ri6A1 MET 326 HB2 0.16 -0.03 0.20 -0.04 2.15 2.44 1ri6A1 MET 326 HB3 0.09 0.03 0.01 -0.04 2.03 2.12 1ri6A1 MET 326 HG2 0.15 -0.05 0.03 -0.04 2.63 2.71 1ri6A1 MET 326 HG3 0.15 0.20 0.05 -0.04 2.56 2.92 1ri6A1 MET 326 HE3 0.38 -0.02 -0.02 -0.04 2.10 2.40 1ri6A1 TRP 327 H 0.26 0.17 0.23 -0.55 7.97 8.09 1ri6A1 TRP 327 HA 0.09 0.09 0.72 -0.75 4.62 4.77 1ri6A1 TRP 327 HB2 0.09 0.07 -0.26 -0.04 3.23 3.08 1ri6A1 TRP 327 HB3 0.08 -0.05 0.08 -0.04 3.23 3.29 1ri6A1 TRP 327 HD1 0.06 -0.05 -0.27 -0.04 7.22 6.92 1ri6A1 TRP 327 HE1 0.03 0.26 0.21 -0.04 10.20 10.66 1ri6A1 TRP 327 HE3 0.13 0.06 -0.03 -0.04 7.59 7.70 1ri6A1 TRP 327 HZ2 -0.10 0.07 0.24 -0.04 7.44 7.61 1ri6A1 TRP 327 HZ3 0.29 0.13 0.17 -0.04 7.13 7.69 1ri6A1 TRP 327 HH2 0.29 -0.02 0.26 -0.04 7.19 7.68 1ri6A1 VAL 328 H -0.25 0.29 0.15 -0.55 8.24 7.88 1ri6A1 VAL 328 HA 0.20 0.41 1.04 -0.75 4.13 5.02 1ri6A1 VAL 328 HB -0.07 -0.04 -0.31 -0.04 2.12 1.66 1ri6A1 VAL 328 HG13 0.02 0.01 -0.25 -0.04 0.97 0.71 1ri6A1 VAL 328 HG23 0.07 -0.02 -0.44 -0.04 0.95 0.52 1ri6A1 VAL 329 H 0.22 0.52 0.31 -0.55 8.24 8.74 1ri6A1 VAL 329 HA 0.07 0.16 0.78 -0.75 4.13 4.39 1ri6A1 VAL 329 HB 0.19 -0.00 0.04 -0.04 2.12 2.30 1ri6A1 VAL 329 HG13 0.38 0.01 -0.21 -0.04 0.97 1.12 1ri6A1 VAL 329 HG23 0.27 -0.01 -0.16 -0.04 0.95 1.01 1ri6A1 VAL 330 H 0.09 0.26 0.20 -0.55 8.24 8.24 1ri6A1 VAL 330 HA 0.17 0.35 1.16 -0.75 4.13 5.05 1ri6A1 VAL 330 HB -0.07 0.04 0.11 -0.04 2.12 2.16 1ri6A1 VAL 330 HG13 0.14 -0.03 -0.18 -0.04 0.97 0.85 1ri6A1 VAL 330 HG23 -0.01 -0.03 -0.36 -0.04 0.95 0.52 1ri6A1 ASN 331 H 0.26 0.69 0.35 -0.55 8.53 9.29 1ri6A1 ASN 331 HA 0.27 0.17 1.02 -0.75 4.76 5.47 1ri6A1 ASN 331 HB2 0.25 -0.03 -0.03 -0.04 2.88 3.02 1ri6A1 ASN 331 HB3 0.32 -0.02 0.11 -0.04 2.79 3.16 1ri6A1 ASN 331 HD21 -0.04 0.10 -0.12 -0.04 7.03 6.92 1ri6A1 ASN 331 HD22 -0.00 -0.05 -0.16 -0.04 7.74 7.48 1ri6A1 ALA 332 H -0.07 0.20 0.22 -0.55 8.40 8.21 1ri6A1 ALA 332 HA 0.10 0.25 1.10 -0.75 4.34 5.04 1ri6A1 ALA 332 HB3 -0.16 -0.03 0.07 -0.04 1.41 1.25 1ri6A1 HIS 333 H -0.20 0.84 0.44 -0.55 8.41 8.94 1ri6A1 HIS 333 HA -0.02 0.05 0.65 -0.75 4.63 4.56 1ri6A1 HIS 333 HB2 -0.00 0.09 0.04 -0.04 3.26 3.34 1ri6A1 HIS 333 HB3 -0.00 0.06 -0.04 -0.04 3.20 3.17 1ri6A1 HIS 333 HD2 0.03 -0.15 -0.54 -0.04 6.97 6.27 1ri6A1 HIS 333 HE1 0.01 0.04 -0.28 -0.04 7.75 7.48 1ri6A1 GLU 334 H 0.05 0.13 0.07 -0.55 8.60 8.31 1ri6A1 GLU 334 HA -0.03 0.13 0.28 -0.75 4.29 3.92 1ri6A1 GLU 334 HB2 0.02 -0.00 0.11 -0.04 2.09 2.17 1ri6A1 GLU 334 HB3 0.00 0.06 0.07 -0.04 1.99 2.08 1ri6A1 GLU 334 HG2 0.00 -0.00 0.02 -0.04 2.34 2.32 1ri6A1 GLU 334 HG3 -0.00 0.01 -0.03 -0.04 2.34 2.27