NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
582479 | 2mh9 | 19530 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mh9 save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 1602 _Distance_constraint_stats_list.Viol_count 1565 _Distance_constraint_stats_list.Viol_total 997.279 _Distance_constraint_stats_list.Viol_max 0.339 _Distance_constraint_stats_list.Viol_rms 0.0265 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0062 _Distance_constraint_stats_list.Viol_average_violations_only 0.0637 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 3 THR 0.000 0.000 . 0 "[ . 1]" 1 4 LYS 0.436 0.135 4 0 "[ . 1]" 1 5 ASP 0.495 0.151 10 0 "[ . 1]" 1 6 TYR 0.346 0.151 10 0 "[ . 1]" 1 7 LYS 0.252 0.114 3 0 "[ . 1]" 1 8 THR 1.291 0.171 10 0 "[ . 1]" 1 9 ARG 1.921 0.171 10 0 "[ . 1]" 1 10 ASP 1.782 0.192 4 0 "[ . 1]" 1 11 VAL 4.473 0.232 3 0 "[ . 1]" 1 12 THR 5.838 0.229 10 0 "[ . 1]" 1 13 ASP 0.138 0.060 3 0 "[ . 1]" 1 14 ASP 1.785 0.156 7 0 "[ . 1]" 1 15 VAL 3.834 0.232 3 0 "[ . 1]" 1 16 LYS 2.281 0.194 7 0 "[ . 1]" 1 17 SER 0.146 0.053 1 0 "[ . 1]" 1 18 ILE 2.100 0.132 10 0 "[ . 1]" 1 19 VAL 4.055 0.217 7 0 "[ . 1]" 1 20 ARG 0.215 0.086 4 0 "[ . 1]" 1 21 PHE 2.652 0.139 8 0 "[ . 1]" 1 22 VAL 2.413 0.118 10 0 "[ . 1]" 1 23 GLN 2.411 0.217 7 0 "[ . 1]" 1 24 GLU 0.078 0.018 8 0 "[ . 1]" 1 25 HIS 0.925 0.103 4 0 "[ . 1]" 1 26 SER 0.135 0.049 2 0 "[ . 1]" 1 27 SER 0.011 0.011 1 0 "[ . 1]" 1 29 GLN 0.000 0.000 . 0 "[ . 1]" 1 30 GLY 0.000 0.000 . 0 "[ . 1]" 1 31 MET 0.000 0.000 . 0 "[ . 1]" 1 33 ASN 0.119 0.050 7 0 "[ . 1]" 1 34 ILE 1.310 0.189 2 0 "[ . 1]" 1 35 LYS 0.258 0.107 10 0 "[ . 1]" 1 36 HIS 0.066 0.066 9 0 "[ . 1]" 1 37 VAL 0.243 0.109 9 0 "[ . 1]" 1 38 GLY 0.177 0.109 9 0 "[ . 1]" 1 39 PRO 0.000 0.000 . 0 "[ . 1]" 1 41 GLY 0.000 0.000 . 0 "[ . 1]" 1 42 ARG 0.801 0.118 5 0 "[ . 1]" 1 43 PHE 1.229 0.120 8 0 "[ . 1]" 1 44 THR 0.995 0.092 9 0 "[ . 1]" 1 45 MET 1.050 0.090 10 0 "[ . 1]" 1 46 ASN 0.326 0.088 2 0 "[ . 1]" 1 47 MET 0.309 0.052 9 0 "[ . 1]" 1 48 LEU 0.854 0.144 9 0 "[ . 1]" 1 49 VAL 4.585 0.315 2 0 "[ . 1]" 1 50 ASP 1.465 0.155 9 0 "[ . 1]" 1 51 ILE 4.460 0.339 9 0 "[ . 1]" 1 52 PHE 1.275 0.339 9 0 "[ . 1]" 1 53 LEU 3.939 0.192 6 0 "[ . 1]" 1 54 GLY 0.179 0.044 3 0 "[ . 1]" 1 55 SER 1.093 0.148 2 0 "[ . 1]" 1 58 ALA 2.926 0.331 9 0 "[ . 1]" 1 59 LYS 0.040 0.040 9 0 "[ . 1]" 1 60 ILE 1.974 0.277 10 0 "[ . 1]" 1 61 GLN 2.085 0.219 9 0 "[ . 1]" 1 62 SER 0.244 0.063 5 0 "[ . 1]" 1 63 GLY 0.042 0.033 8 0 "[ . 1]" 1 64 ILE 2.690 0.199 9 0 "[ . 1]" 1 65 PHE 4.603 0.331 9 0 "[ . 1]" 1 66 GLY 0.031 0.014 9 0 "[ . 1]" 1 67 LYS 1.876 0.199 9 0 "[ . 1]" 1 68 GLY 0.215 0.108 8 0 "[ . 1]" 1 69 SER 0.618 0.109 9 0 "[ . 1]" 1 70 ALA 1.539 0.171 3 0 "[ . 1]" 1 71 TYR 2.015 0.192 6 0 "[ . 1]" 1 72 SER 0.139 0.036 5 0 "[ . 1]" 1 73 ARG 0.099 0.082 5 0 "[ . 1]" 1 74 HIS 0.998 0.153 2 0 "[ . 1]" 1 75 ASN 0.066 0.066 9 0 "[ . 1]" 1 76 ALA 0.359 0.048 10 0 "[ . 1]" 1 77 GLU 0.314 0.131 2 0 "[ . 1]" 1 78 ARG 1.641 0.210 8 0 "[ . 1]" 1 79 LEU 9.589 0.268 4 0 "[ . 1]" 1 80 PHE 0.902 0.090 8 0 "[ . 1]" 1 81 LYS 3.814 0.268 4 0 "[ . 1]" 1 82 LYS 2.961 0.198 8 0 "[ . 1]" 1 83 LEU 5.207 0.249 1 0 "[ . 1]" 1 84 ILE 0.341 0.045 8 0 "[ . 1]" 1 85 LEU 1.453 0.159 1 0 "[ . 1]" 1 86 ASP 0.236 0.048 4 0 "[ . 1]" 1 87 LYS 5.375 0.248 4 0 "[ . 1]" 1 88 ILE 2.414 0.158 10 0 "[ . 1]" 1 89 LEU 4.115 0.216 7 0 "[ . 1]" 1 90 ASP 0.666 0.096 3 0 "[ . 1]" 1 91 GLU 1.284 0.178 1 0 "[ . 1]" 1 92 ASP 0.209 0.093 10 0 "[ . 1]" 1 93 LEU 0.766 0.154 10 0 "[ . 1]" 1 94 TYR 2.195 0.196 8 0 "[ . 1]" 1 95 ILE 6.223 0.224 7 0 "[ . 1]" 1 96 ASN 1.392 0.185 5 0 "[ . 1]" 1 97 ALA 0.350 0.184 6 0 "[ . 1]" 1 98 ASN 1.959 0.162 9 0 "[ . 1]" 1 99 ASP 1.635 0.224 7 0 "[ . 1]" 1 100 GLN 1.481 0.179 5 0 "[ . 1]" 1 101 ALA 0.961 0.179 5 0 "[ . 1]" 1 102 ILE 2.088 0.220 9 0 "[ . 1]" 1 103 ALA 0.434 0.055 8 0 "[ . 1]" 1 104 TYR 0.832 0.092 9 0 "[ . 1]" 1 105 VAL 3.055 0.190 7 0 "[ . 1]" 1 106 MET 1.551 0.190 7 0 "[ . 1]" 1 107 LEU 0.626 0.070 1 0 "[ . 1]" 1 108 GLY 0.380 0.096 3 0 "[ . 1]" 1 109 ASN 0.347 0.080 5 0 "[ . 1]" 1 110 LYS 1.240 0.143 5 0 "[ . 1]" 1 111 ALA 1.120 0.229 8 0 "[ . 1]" 1 112 GLN 1.965 0.229 8 0 "[ . 1]" 1 113 THR 0.368 0.041 9 0 "[ . 1]" 1 114 VAL 0.780 0.106 6 0 "[ . 1]" 1 115 LEU 0.772 0.119 6 0 "[ . 1]" 1 116 ASN 1.160 0.136 6 0 "[ . 1]" 1 117 GLY 1.236 0.259 7 0 "[ . 1]" 1 118 ASN 0.341 0.063 5 0 "[ . 1]" 1 119 LEU 4.376 0.291 8 0 "[ . 1]" 1 120 LYS 3.696 0.291 8 0 "[ . 1]" 1 121 VAL 3.648 0.184 10 0 "[ . 1]" 1 122 ASP 2.243 0.184 10 0 "[ . 1]" 1 123 PHE 1.108 0.179 8 0 "[ . 1]" 1 124 MET 0.439 0.108 10 0 "[ . 1]" 1 125 GLU 0.419 0.088 5 0 "[ . 1]" 1 126 THR 0.290 0.066 10 0 "[ . 1]" 1 127 GLU 0.026 0.026 9 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 3 THR HA 1 3 THR MG 2.855 . 3.910 2.486 2.236 3.279 . 0 0 "[ . 1]" 1 2 1 4 LYS QB 1 4 LYS QE 2.150 . 2.500 2.088 1.944 2.579 0.079 7 0 "[ . 1]" 1 3 1 4 LYS HA 1 4 LYS QG 2.710 . 3.620 2.648 2.441 3.359 . 0 0 "[ . 1]" 1 4 1 4 LYS QB 1 4 LYS QG 2.165 . 2.530 2.055 1.995 2.102 . 0 0 "[ . 1]" 1 5 1 4 LYS HA 1 4 LYS QB 2.300 . 2.800 2.385 2.184 2.520 . 0 0 "[ . 1]" 1 6 1 4 LYS QB 1 5 ASP H 3.070 . 4.340 2.838 2.255 3.508 . 0 0 "[ . 1]" 1 7 1 4 LYS H 1 4 LYS QE 3.650 . 5.500 4.529 2.993 5.513 0.013 9 0 "[ . 1]" 1 8 1 4 LYS QG 1 5 ASP H 3.460 . 5.120 3.860 1.693 4.711 0.107 9 0 "[ . 1]" 1 9 1 4 LYS H 1 4 LYS QG 3.650 . 5.500 3.507 2.129 4.505 . 0 0 "[ . 1]" 1 10 1 4 LYS QB 1 5 ASP QB 3.275 . 4.750 4.216 3.074 4.885 0.135 4 0 "[ . 1]" 1 11 1 5 ASP HA 1 6 TYR QD 3.610 . 5.420 4.373 3.594 5.571 0.151 10 0 "[ . 1]" 1 12 1 5 ASP HA 1 6 TYR H 2.290 . 2.780 2.264 2.042 2.669 . 0 0 "[ . 1]" 1 13 1 5 ASP H 1 6 TYR H 3.305 . 4.810 4.286 4.029 4.591 . 0 0 "[ . 1]" 1 14 1 5 ASP H 1 5 ASP QB 2.695 . 3.590 2.534 2.241 3.271 . 0 0 "[ . 1]" 1 15 1 5 ASP QB 1 6 TYR H 3.095 . 4.390 3.236 2.459 3.979 . 0 0 "[ . 1]" 1 16 1 6 TYR HA 1 6 TYR QD 2.825 . 3.850 3.096 2.374 3.785 . 0 0 "[ . 1]" 1 17 1 6 TYR H 1 6 TYR QD 3.150 . 4.500 3.107 2.176 4.513 0.013 8 0 "[ . 1]" 1 18 1 6 TYR HB3 1 7 LYS H 3.140 . 4.480 4.133 3.470 4.416 . 0 0 "[ . 1]" 1 19 1 6 TYR HB2 1 7 LYS H 3.140 . 4.480 3.802 2.189 4.476 . 0 0 "[ . 1]" 1 20 1 6 TYR H 1 6 TYR HB2 2.820 . 3.840 3.163 2.512 3.873 0.033 9 0 "[ . 1]" 1 21 1 6 TYR H 1 6 TYR HB3 2.820 . 3.840 3.271 2.836 3.851 0.011 6 0 "[ . 1]" 1 22 1 6 TYR H 1 7 LYS H 3.375 . 4.950 2.826 1.883 4.220 . 0 0 "[ . 1]" 1 23 1 6 TYR H 1 6 TYR QB 2.530 . 3.260 2.715 2.466 3.042 . 0 0 "[ . 1]" 1 24 1 6 TYR HA 1 6 TYR QB 2.190 . 2.580 2.316 2.170 2.523 . 0 0 "[ . 1]" 1 25 1 6 TYR QB 1 7 LYS H 2.810 . 3.820 3.441 2.167 3.913 0.093 10 0 "[ . 1]" 1 26 1 7 LYS HA 1 7 LYS QB 2.410 . 3.020 2.370 2.206 2.464 . 0 0 "[ . 1]" 1 27 1 7 LYS QB 1 7 LYS QG 2.260 . 2.720 2.059 2.003 2.097 . 0 0 "[ . 1]" 1 28 1 7 LYS HA 1 7 LYS QG 2.475 . 3.150 2.646 2.264 3.264 0.114 3 0 "[ . 1]" 1 29 1 7 LYS HA 1 8 THR H 2.415 . 3.030 2.344 2.124 2.908 . 0 0 "[ . 1]" 1 30 1 7 LYS QB 1 8 THR H 2.815 . 3.830 3.122 1.838 3.791 . 0 0 "[ . 1]" 1 31 1 7 LYS QG 1 8 THR H 3.350 . 4.900 3.385 2.088 4.332 . 0 0 "[ . 1]" 1 32 1 7 LYS H 1 8 THR H 3.450 . 5.100 4.165 3.457 4.562 . 0 0 "[ . 1]" 1 33 1 8 THR MG 1 10 ASP HA 3.650 . 5.500 4.712 2.841 5.546 0.046 4 0 "[ . 1]" 1 34 1 8 THR HA 1 9 ARG QG 3.650 . 5.500 4.236 3.149 5.599 0.099 7 0 "[ . 1]" 1 35 1 8 THR MG 1 9 ARG H 2.695 . 3.590 1.971 1.752 2.290 0.048 4 0 "[ . 1]" 1 36 1 8 THR MG 1 9 ARG QB 2.655 . 3.510 3.584 3.514 3.681 0.171 10 0 "[ . 1]" 1 37 1 8 THR MG 1 9 ARG HA 3.190 . 4.580 4.153 3.585 4.666 0.086 8 0 "[ . 1]" 1 38 1 8 THR HA 1 8 THR MG 2.670 . 3.540 2.347 2.054 3.201 . 0 0 "[ . 1]" 1 39 1 8 THR MG 1 10 ASP H 3.650 . 5.500 4.980 3.591 5.513 0.013 8 0 "[ . 1]" 1 40 1 8 THR H 1 8 THR MG 2.910 . 4.020 3.529 2.369 3.872 . 0 0 "[ . 1]" 1 41 1 8 THR HB 1 9 ARG H 2.850 . 3.900 3.363 2.356 3.843 . 0 0 "[ . 1]" 1 42 1 8 THR H 1 9 ARG H 3.235 . 4.670 4.462 4.364 4.595 . 0 0 "[ . 1]" 1 43 1 8 THR H 1 8 THR HB 2.790 . 3.780 2.686 2.504 3.076 . 0 0 "[ . 1]" 1 44 1 8 THR HA 1 9 ARG H 2.455 . 3.110 2.518 2.031 2.825 . 0 0 "[ . 1]" 1 45 1 8 THR MG 1 9 ARG QD 3.550 . 5.300 4.671 3.082 5.408 0.108 7 0 "[ . 1]" 1 46 1 9 ARG HA 1 9 ARG QG 2.510 . 3.220 2.545 2.297 3.035 . 0 0 "[ . 1]" 1 47 1 9 ARG QB 1 9 ARG HD2 2.385 . 2.970 2.530 2.148 3.037 0.067 3 0 "[ . 1]" 1 48 1 9 ARG QB 1 9 ARG HD3 2.385 . 2.970 2.565 2.283 3.139 0.169 4 0 "[ . 1]" 1 49 1 9 ARG HA 1 10 ASP H 2.445 . 3.090 2.142 2.030 2.268 . 0 0 "[ . 1]" 1 50 1 9 ARG H 1 9 ARG QG 2.840 . 3.880 3.042 2.359 3.922 0.042 1 0 "[ . 1]" 1 51 1 9 ARG QB 1 10 ASP H 2.830 . 3.860 3.201 2.543 3.865 0.005 7 0 "[ . 1]" 1 52 1 9 ARG QG 1 10 ASP H 3.015 . 4.230 3.899 2.734 4.358 0.128 10 0 "[ . 1]" 1 53 1 9 ARG H 1 9 ARG QB 2.700 . 3.600 2.285 2.157 2.398 . 0 0 "[ . 1]" 1 54 1 9 ARG QB 1 9 ARG QD 2.190 . 2.580 2.210 2.046 2.521 . 0 0 "[ . 1]" 1 55 1 10 ASP HA 1 122 ASP HA 3.075 . 4.350 2.381 2.107 2.740 . 0 0 "[ . 1]" 1 56 1 10 ASP HA 1 11 VAL MG1 3.650 . 5.500 4.296 3.953 5.206 . 0 0 "[ . 1]" 1 57 1 10 ASP HA 1 11 VAL MG2 3.650 . 4.520 3.737 3.555 4.051 . 0 0 "[ . 1]" 1 58 1 10 ASP HA 1 122 ASP QB 3.340 . 4.880 3.689 2.364 4.068 . 0 0 "[ . 1]" 1 59 1 10 ASP HB2 1 11 VAL H 3.090 . 4.380 4.340 3.667 4.468 0.088 10 0 "[ . 1]" 1 60 1 10 ASP HB3 1 12 THR H 3.470 . 5.140 4.275 3.706 5.155 0.015 1 0 "[ . 1]" 1 61 1 10 ASP HB2 1 12 THR H 3.470 . 5.140 4.983 3.892 5.332 0.192 4 0 "[ . 1]" 1 62 1 10 ASP H 1 122 ASP HA 3.650 . 5.500 4.752 4.494 5.172 . 0 0 "[ . 1]" 1 63 1 10 ASP HB3 1 11 VAL H 3.090 . 4.380 4.029 3.614 4.390 0.010 1 0 "[ . 1]" 1 64 1 10 ASP HA 1 11 VAL H 2.595 . 3.390 2.108 2.034 2.221 . 0 0 "[ . 1]" 1 65 1 10 ASP H 1 10 ASP QB 2.285 . 2.770 2.379 2.026 2.631 . 0 0 "[ . 1]" 1 66 1 10 ASP H 1 11 VAL MG2 3.620 . 5.440 5.142 4.364 5.458 0.018 1 0 "[ . 1]" 1 67 1 10 ASP QB 1 11 VAL HA 3.505 . 5.210 4.384 4.091 4.685 . 0 0 "[ . 1]" 1 68 1 10 ASP QB 1 12 THR H 3.100 . 4.400 3.930 3.633 4.456 0.056 6 0 "[ . 1]" 1 69 1 10 ASP QB 1 12 THR MG 2.600 . 3.400 2.793 2.058 3.561 0.161 2 0 "[ . 1]" 1 70 1 10 ASP QB 1 122 ASP HA 3.225 . 4.650 4.357 3.781 4.678 0.028 7 0 "[ . 1]" 1 71 1 11 VAL MG2 1 122 ASP HA 3.280 . 3.860 3.288 2.260 3.831 . 0 0 "[ . 1]" 1 72 1 11 VAL MG1 1 122 ASP HA 3.280 . 4.760 4.488 3.768 4.788 0.028 6 0 "[ . 1]" 1 73 1 11 VAL MG1 1 123 PHE HA 3.380 . 4.960 4.682 4.390 4.993 0.033 8 0 "[ . 1]" 1 74 1 11 VAL HA 1 11 VAL MG1 2.865 . 3.930 2.314 2.265 2.528 . 0 0 "[ . 1]" 1 75 1 11 VAL MG2 1 123 PHE HB2 3.355 . 4.910 2.153 1.868 2.910 . 0 0 "[ . 1]" 1 76 1 11 VAL HA 1 11 VAL MG2 2.865 . 3.930 3.061 2.160 3.192 . 0 0 "[ . 1]" 1 77 1 11 VAL MG2 1 123 PHE HB3 3.355 . 4.910 2.563 2.087 3.058 . 0 0 "[ . 1]" 1 78 1 11 VAL MG1 1 123 PHE HB3 3.355 . 4.910 2.503 1.909 3.981 . 0 0 "[ . 1]" 1 79 1 11 VAL MG1 1 123 PHE HB2 3.355 . 4.910 3.081 2.511 4.246 . 0 0 "[ . 1]" 1 80 1 11 VAL MG2 1 123 PHE QD 3.390 . 4.320 3.626 3.337 4.141 . 0 0 "[ . 1]" 1 81 1 11 VAL HB 1 79 LEU MD1 3.650 . 5.500 3.519 2.983 4.003 . 0 0 "[ . 1]" 1 82 1 11 VAL HB 1 79 LEU MD2 3.650 . 5.500 3.971 3.374 4.821 . 0 0 "[ . 1]" 1 83 1 11 VAL MG2 1 123 PHE HA 3.380 . 3.990 3.921 3.708 4.066 0.076 8 0 "[ . 1]" 1 84 1 11 VAL H 1 122 ASP QB 3.170 . 4.540 4.422 3.421 4.646 0.106 10 0 "[ . 1]" 1 85 1 11 VAL HB 1 15 VAL H 3.650 . 5.500 3.203 2.879 5.106 . 0 0 "[ . 1]" 1 86 1 11 VAL HA 1 14 ASP H 2.795 . 3.790 3.359 2.617 3.863 0.073 3 0 "[ . 1]" 1 87 1 11 VAL MG2 1 123 PHE H 3.045 . 3.700 3.202 2.401 3.734 0.034 5 0 "[ . 1]" 1 88 1 11 VAL MG2 1 12 THR H 3.215 . 4.010 4.070 3.896 4.133 0.123 8 0 "[ . 1]" 1 89 1 11 VAL H 1 122 ASP HA 2.990 . 4.180 2.697 1.844 3.007 . 0 0 "[ . 1]" 1 90 1 11 VAL MG1 1 123 PHE H 3.045 . 4.290 3.810 3.108 4.411 0.121 6 0 "[ . 1]" 1 91 1 11 VAL MG1 1 12 THR H 3.215 . 4.630 4.013 3.330 4.315 . 0 0 "[ . 1]" 1 92 1 11 VAL H 1 123 PHE H 3.170 . 4.540 3.487 2.935 4.124 . 0 0 "[ . 1]" 1 93 1 11 VAL MG1 1 123 PHE QD 3.390 . 4.980 3.223 2.456 4.634 . 0 0 "[ . 1]" 1 94 1 11 VAL H 1 11 VAL MG2 2.690 . 3.580 2.041 1.890 2.638 . 0 0 "[ . 1]" 1 95 1 11 VAL HA 1 14 ASP QB 3.570 . 5.340 3.481 2.492 4.770 . 0 0 "[ . 1]" 1 96 1 11 VAL HA 1 15 VAL QG 3.620 . 5.440 4.005 3.698 4.565 . 0 0 "[ . 1]" 1 97 1 11 VAL HB 1 15 VAL QG 3.620 . 5.440 2.214 1.894 3.672 . 0 0 "[ . 1]" 1 98 1 11 VAL HB 1 121 VAL MG2 3.620 . 5.440 3.895 2.077 4.639 . 0 0 "[ . 1]" 1 99 1 11 VAL MG2 1 14 ASP H 3.305 . 4.810 4.841 4.280 4.966 0.156 7 0 "[ . 1]" 1 100 1 11 VAL MG2 1 15 VAL H 3.000 . 4.200 4.068 3.809 4.382 0.182 6 0 "[ . 1]" 1 101 1 11 VAL MG2 1 15 VAL HB 3.620 . 5.440 3.972 3.641 5.442 0.002 6 0 "[ . 1]" 1 102 1 11 VAL MG1 1 15 VAL QG 2.525 . 3.250 3.232 1.795 3.482 0.232 3 0 "[ . 1]" 1 103 1 11 VAL MG1 1 79 LEU MD1 2.660 . 3.520 2.760 2.050 3.400 . 0 0 "[ . 1]" 1 104 1 11 VAL MG2 1 121 VAL HB 3.620 . 5.440 4.357 3.930 5.569 0.129 6 0 "[ . 1]" 1 105 1 11 VAL MG2 1 123 PHE QB 2.600 . 3.400 2.020 1.824 2.448 . 0 0 "[ . 1]" 1 106 1 12 THR MG 1 120 LYS HA 2.660 . 3.520 1.871 1.751 2.361 0.049 1 0 "[ . 1]" 1 107 1 12 THR MG 1 119 LEU MD2 3.300 . 4.800 3.745 2.930 4.855 0.055 3 0 "[ . 1]" 1 108 1 12 THR HB 1 15 VAL HB 3.075 . 4.350 4.469 4.243 4.579 0.229 10 0 "[ . 1]" 1 109 1 12 THR HA 1 12 THR MG 2.765 . 3.730 2.441 2.173 3.131 . 0 0 "[ . 1]" 1 110 1 12 THR MG 1 119 LEU MD1 3.300 . 4.800 3.864 3.583 4.362 . 0 0 "[ . 1]" 1 111 1 12 THR MG 1 120 LYS HB2 2.100 . 2.400 2.377 2.232 2.454 0.054 4 0 "[ . 1]" 1 112 1 12 THR HB 1 15 VAL H 3.650 . 5.500 5.456 5.342 5.584 0.084 3 0 "[ . 1]" 1 113 1 12 THR HB 1 120 LYS H 3.650 . 5.500 5.419 4.769 5.607 0.107 6 0 "[ . 1]" 1 114 1 12 THR HA 1 14 ASP H 3.650 . 5.500 4.179 3.916 4.336 . 0 0 "[ . 1]" 1 115 1 12 THR MG 1 15 VAL HB 3.355 . 4.910 4.448 3.912 4.946 0.036 3 0 "[ . 1]" 1 116 1 12 THR MG 1 120 LYS HB3 2.100 . 2.400 2.194 1.837 2.394 . 0 0 "[ . 1]" 1 117 1 12 THR MG 1 120 LYS H 3.650 . 5.500 4.206 4.088 4.515 . 0 0 "[ . 1]" 1 118 1 12 THR MG 1 119 LEU H 3.650 . 5.500 5.031 4.826 5.235 . 0 0 "[ . 1]" 1 119 1 12 THR MG 1 16 LYS QE 3.650 . 5.500 5.121 3.962 5.562 0.062 10 0 "[ . 1]" 1 120 1 12 THR H 1 12 THR MG 2.945 . 4.090 2.361 1.799 2.618 0.001 7 0 "[ . 1]" 1 121 1 12 THR MG 1 13 ASP H 2.985 . 4.170 3.467 2.113 3.962 . 0 0 "[ . 1]" 1 122 1 12 THR MG 1 14 ASP H 3.650 . 5.500 4.904 4.020 5.159 . 0 0 "[ . 1]" 1 123 1 12 THR HB 1 14 ASP H 3.650 . 5.500 5.497 5.245 5.616 0.116 3 0 "[ . 1]" 1 124 1 12 THR H 1 12 THR HG1 3.050 . 4.300 2.909 2.348 4.443 0.143 7 0 "[ . 1]" 1 125 1 12 THR HB 1 121 VAL H 3.395 . 4.990 4.058 1.775 4.669 0.025 7 0 "[ . 1]" 1 126 1 12 THR MG 1 121 VAL H 2.720 . 3.640 2.434 2.164 2.764 . 0 0 "[ . 1]" 1 127 1 12 THR MG 1 16 LYS H 3.650 . 5.500 5.450 5.175 5.621 0.121 6 0 "[ . 1]" 1 128 1 12 THR H 1 15 VAL H 3.540 . 5.280 4.201 3.943 4.612 . 0 0 "[ . 1]" 1 129 1 12 THR H 1 12 THR HB 2.960 . 4.120 3.685 3.064 3.838 . 0 0 "[ . 1]" 1 130 1 12 THR HB 1 13 ASP H 3.400 . 5.000 3.880 3.532 4.212 . 0 0 "[ . 1]" 1 131 1 12 THR H 1 120 LYS QB 3.570 . 5.340 5.223 4.685 5.432 0.092 5 0 "[ . 1]" 1 132 1 12 THR HA 1 121 VAL MG2 3.585 . 5.370 3.740 2.996 4.486 . 0 0 "[ . 1]" 1 133 1 12 THR HB 1 15 VAL QG 3.375 . 4.950 4.634 4.280 4.766 . 0 0 "[ . 1]" 1 134 1 12 THR HB 1 120 LYS QB 3.180 . 4.560 3.728 3.494 4.001 . 0 0 "[ . 1]" 1 135 1 12 THR HB 1 121 VAL MG2 3.620 . 5.440 4.990 2.953 5.483 0.043 1 0 "[ . 1]" 1 136 1 12 THR MG 1 15 VAL QG 3.105 . 4.410 4.203 3.814 4.630 0.220 7 0 "[ . 1]" 1 137 1 12 THR MG 1 121 VAL MG2 2.845 . 3.890 3.688 3.346 3.961 0.071 3 0 "[ . 1]" 1 138 1 13 ASP HA 1 16 LYS HB3 2.965 . 4.130 2.519 1.899 3.306 . 0 0 "[ . 1]" 1 139 1 13 ASP HA 1 16 LYS HB2 2.965 . 4.130 2.774 1.858 4.068 . 0 0 "[ . 1]" 1 140 1 13 ASP HA 1 16 LYS H 2.795 . 3.790 2.990 2.358 3.704 . 0 0 "[ . 1]" 1 141 1 13 ASP QB 1 15 VAL H 3.650 . 5.500 5.080 4.870 5.479 . 0 0 "[ . 1]" 1 142 1 13 ASP H 1 14 ASP H 2.750 . 3.700 2.361 2.158 2.481 . 0 0 "[ . 1]" 1 143 1 13 ASP QB 1 14 ASP H 2.585 . 3.370 3.335 3.208 3.430 0.060 3 0 "[ . 1]" 1 144 1 13 ASP H 1 13 ASP QB 2.540 . 3.280 2.455 2.312 2.581 . 0 0 "[ . 1]" 1 145 1 13 ASP HA 1 16 LYS QB 2.565 . 3.330 2.259 1.751 3.018 0.049 3 0 "[ . 1]" 1 146 1 14 ASP HA 1 17 SER H 3.360 . 4.920 3.553 3.176 4.016 . 0 0 "[ . 1]" 1 147 1 14 ASP H 1 14 ASP HA 2.350 . 2.900 2.865 2.823 2.911 0.011 3 0 "[ . 1]" 1 148 1 14 ASP HB3 1 18 ILE MD 3.650 . 5.500 4.333 3.916 5.558 0.058 3 0 "[ . 1]" 1 149 1 14 ASP HB2 1 18 ILE MD 3.650 . 5.500 4.894 3.896 5.594 0.094 9 0 "[ . 1]" 1 150 1 14 ASP H 1 14 ASP HB2 2.795 . 3.790 2.708 2.307 3.649 . 0 0 "[ . 1]" 1 151 1 14 ASP H 1 14 ASP HB3 2.795 . 3.790 2.959 2.430 3.593 . 0 0 "[ . 1]" 1 152 1 14 ASP H 1 15 VAL H 2.720 . 3.640 2.400 2.076 2.703 . 0 0 "[ . 1]" 1 153 1 14 ASP H 1 15 VAL HB 3.390 . 4.980 4.366 3.951 4.705 . 0 0 "[ . 1]" 1 154 1 14 ASP H 1 15 VAL QG 3.030 . 4.260 3.971 3.412 4.263 0.003 6 0 "[ . 1]" 1 155 1 14 ASP H 1 16 LYS QB 3.565 . 5.330 4.577 4.128 4.950 . 0 0 "[ . 1]" 1 156 1 14 ASP QB 1 15 VAL H 2.530 . 3.260 2.356 1.976 3.279 0.019 3 0 "[ . 1]" 1 157 1 14 ASP HB3 1 79 LEU MD1 4.000 . 6.000 4.241 3.413 5.610 . 0 0 "[ . 1]" 1 158 1 14 ASP HB2 1 79 LEU MD1 4.000 . 6.000 4.725 3.317 6.067 0.067 8 0 "[ . 1]" 1 159 1 15 VAL HA 1 18 ILE HB 2.920 . 4.040 2.434 2.040 2.866 . 0 0 "[ . 1]" 1 160 1 15 VAL HA 1 18 ILE MG 2.945 . 4.090 3.709 3.285 4.096 0.006 10 0 "[ . 1]" 1 161 1 15 VAL HA 1 18 ILE MD 2.900 . 4.000 2.146 1.931 2.528 . 0 0 "[ . 1]" 1 162 1 15 VAL H 1 16 LYS HA 3.650 . 5.500 5.273 5.156 5.436 . 0 0 "[ . 1]" 1 163 1 15 VAL HA 1 19 VAL H 3.295 . 4.790 4.075 3.910 4.279 . 0 0 "[ . 1]" 1 164 1 15 VAL HA 1 79 LEU MD1 3.650 . 5.500 4.705 4.272 5.328 . 0 0 "[ . 1]" 1 165 1 15 VAL HA 1 79 LEU MD2 3.650 . 5.500 4.263 3.591 5.494 . 0 0 "[ . 1]" 1 166 1 15 VAL H 1 15 VAL HB 2.720 . 3.640 2.395 2.179 2.480 . 0 0 "[ . 1]" 1 167 1 15 VAL HB 1 16 LYS H 2.860 . 3.920 2.877 2.604 3.278 . 0 0 "[ . 1]" 1 168 1 15 VAL H 1 16 LYS H 2.850 . 3.900 2.670 2.530 2.826 . 0 0 "[ . 1]" 1 169 1 15 VAL H 1 17 SER H 3.415 . 5.030 4.164 3.990 4.351 . 0 0 "[ . 1]" 1 170 1 15 VAL HA 1 18 ILE H 2.955 . 4.110 3.263 2.779 3.669 . 0 0 "[ . 1]" 1 171 1 15 VAL H 1 18 ILE H 3.650 . 5.500 4.697 4.397 4.870 . 0 0 "[ . 1]" 1 172 1 15 VAL H 1 18 ILE MD 3.650 . 5.500 4.195 3.994 4.648 . 0 0 "[ . 1]" 1 173 1 15 VAL H 1 15 VAL QG 2.530 . 3.260 2.238 1.993 2.422 . 0 0 "[ . 1]" 1 174 1 15 VAL H 1 79 LEU MD1 3.650 . 5.500 4.979 4.564 5.540 0.040 8 0 "[ . 1]" 1 175 1 15 VAL HA 1 18 ILE QG 3.570 . 5.340 3.030 2.741 3.525 . 0 0 "[ . 1]" 1 176 1 15 VAL HA 1 83 LEU MD1 3.620 . 5.440 4.045 3.614 5.201 . 0 0 "[ . 1]" 1 177 1 15 VAL HB 1 79 LEU MD1 3.650 . 5.500 5.553 5.511 5.591 0.091 4 0 "[ . 1]" 1 178 1 15 VAL HB 1 121 VAL MG2 3.005 . 4.210 3.768 3.058 4.206 . 0 0 "[ . 1]" 1 179 1 15 VAL QG 1 16 LYS H 2.980 . 4.160 3.235 2.980 3.509 . 0 0 "[ . 1]" 1 180 1 15 VAL QG 1 18 ILE MD 3.035 . 4.270 2.559 1.921 3.140 . 0 0 "[ . 1]" 1 181 1 15 VAL QG 1 79 LEU MD1 2.745 . 3.690 2.973 2.787 3.184 . 0 0 "[ . 1]" 1 182 1 15 VAL QG 1 83 LEU MD1 2.690 . 3.580 2.323 1.999 2.784 . 0 0 "[ . 1]" 1 183 1 16 LYS QD 1 16 LYS QE 2.325 . 2.850 2.050 1.978 2.105 . 0 0 "[ . 1]" 1 184 1 16 LYS HA 1 19 VAL HB 2.595 . 3.390 2.528 2.120 2.984 . 0 0 "[ . 1]" 1 185 1 16 LYS HA 1 20 ARG H 3.650 . 5.500 3.958 3.658 4.654 . 0 0 "[ . 1]" 1 186 1 16 LYS HA 1 16 LYS QD 2.845 . 3.890 2.916 2.060 4.049 0.159 7 0 "[ . 1]" 1 187 1 16 LYS HA 1 16 LYS QE 3.650 . 5.500 3.044 2.541 3.659 . 0 0 "[ . 1]" 1 188 1 16 LYS HA 1 19 VAL H 3.020 . 4.240 3.256 2.906 3.479 . 0 0 "[ . 1]" 1 189 1 16 LYS H 1 16 LYS QG 2.995 . 4.190 4.024 3.913 4.089 . 0 0 "[ . 1]" 1 190 1 16 LYS H 1 16 LYS HB2 2.640 . 3.480 2.387 2.203 2.572 . 0 0 "[ . 1]" 1 191 1 16 LYS H 1 17 SER H 2.850 . 3.900 2.650 2.481 2.860 . 0 0 "[ . 1]" 1 192 1 16 LYS HB2 1 17 SER H 2.840 . 3.880 3.748 3.463 3.933 0.053 1 0 "[ . 1]" 1 193 1 16 LYS HB3 1 17 SER H 2.840 . 3.880 2.606 2.348 2.905 . 0 0 "[ . 1]" 1 194 1 16 LYS QG 1 17 SER H 3.580 . 5.360 3.856 3.724 4.414 . 0 0 "[ . 1]" 1 195 1 16 LYS H 1 16 LYS HB3 2.640 . 3.480 2.662 2.517 3.088 . 0 0 "[ . 1]" 1 196 1 16 LYS H 1 16 LYS QB 2.355 . 2.910 2.209 2.112 2.280 . 0 0 "[ . 1]" 1 197 1 16 LYS H 1 19 VAL MG2 3.260 . 4.720 4.485 4.135 4.762 0.042 8 0 "[ . 1]" 1 198 1 16 LYS HA 1 19 VAL MG2 2.525 . 3.250 2.911 2.288 3.317 0.067 2 0 "[ . 1]" 1 199 1 16 LYS QB 1 16 LYS QE 3.315 . 4.830 1.960 1.782 2.093 0.018 7 0 "[ . 1]" 1 200 1 16 LYS QE 1 19 VAL MG2 3.035 . 4.270 4.363 4.289 4.464 0.194 7 0 "[ . 1]" 1 201 1 17 SER H 1 18 ILE H 2.815 . 3.830 2.675 2.523 2.780 . 0 0 "[ . 1]" 1 202 1 17 SER H 1 17 SER QB 2.590 . 3.380 2.397 2.157 2.693 . 0 0 "[ . 1]" 1 203 1 17 SER HA 1 20 ARG H 3.245 . 4.690 3.421 3.196 3.591 . 0 0 "[ . 1]" 1 204 1 17 SER H 1 19 VAL H 3.260 . 4.720 4.183 3.947 4.413 . 0 0 "[ . 1]" 1 205 1 17 SER H 1 20 ARG H 3.650 . 5.500 4.678 4.576 5.036 . 0 0 "[ . 1]" 1 206 1 17 SER QB 1 18 ILE H 3.120 . 4.440 2.681 2.426 3.554 . 0 0 "[ . 1]" 1 207 1 17 SER HA 1 21 PHE H 3.650 . 5.500 4.240 3.933 4.557 . 0 0 "[ . 1]" 1 208 1 18 ILE MD 1 79 LEU MD1 3.500 . 4.300 3.146 2.731 3.742 . 0 0 "[ . 1]" 1 209 1 18 ILE HA 1 18 ILE MG 2.730 . 3.660 2.573 2.409 2.686 . 0 0 "[ . 1]" 1 210 1 18 ILE MG 1 19 VAL MG1 3.170 . 4.540 4.581 4.479 4.619 0.079 9 0 "[ . 1]" 1 211 1 18 ILE HA 1 21 PHE H 3.590 . 5.380 3.682 3.353 3.962 . 0 0 "[ . 1]" 1 212 1 18 ILE MD 1 19 VAL H 3.400 . 5.000 4.496 4.355 4.782 . 0 0 "[ . 1]" 1 213 1 18 ILE MD 1 52 PHE QE 3.250 . 4.700 3.260 2.805 4.328 . 0 0 "[ . 1]" 1 214 1 18 ILE MD 1 80 PHE QE 3.505 . 5.210 2.964 2.501 3.789 . 0 0 "[ . 1]" 1 215 1 18 ILE HB 1 18 ILE MD 2.815 . 3.830 2.458 2.433 2.488 . 0 0 "[ . 1]" 1 216 1 18 ILE MG 1 80 PHE HZ 3.650 . 5.500 3.385 2.499 4.356 . 0 0 "[ . 1]" 1 217 1 18 ILE HB 1 19 VAL HA 3.465 . 5.130 4.393 4.275 4.579 . 0 0 "[ . 1]" 1 218 1 18 ILE MD 1 52 PHE QD 3.650 . 5.500 4.008 3.225 4.659 . 0 0 "[ . 1]" 1 219 1 18 ILE MD 1 83 LEU HG 3.650 . 5.500 4.968 4.194 5.530 0.030 3 0 "[ . 1]" 1 220 1 18 ILE MG 1 79 LEU MD1 3.650 . 5.500 5.284 4.840 5.593 0.093 7 0 "[ . 1]" 1 221 1 18 ILE MG 1 79 LEU MD2 3.650 . 5.500 4.568 3.955 5.202 . 0 0 "[ . 1]" 1 222 1 18 ILE MG 1 19 VAL MG2 3.170 . 3.700 3.004 2.892 3.084 . 0 0 "[ . 1]" 1 223 1 18 ILE HG12 1 80 PHE HZ 3.650 . 5.500 3.546 2.666 4.021 . 0 0 "[ . 1]" 1 224 1 18 ILE HA 1 52 PHE QD 3.650 . 5.500 4.828 4.309 5.319 . 0 0 "[ . 1]" 1 225 1 18 ILE MG 1 21 PHE QB 3.105 . 4.410 4.187 3.675 4.542 0.132 10 0 "[ . 1]" 1 226 1 18 ILE MG 1 19 VAL HB 3.185 . 4.570 4.643 4.617 4.673 0.103 9 0 "[ . 1]" 1 227 1 18 ILE MG 1 19 VAL HA 2.945 . 4.090 3.033 2.982 3.119 . 0 0 "[ . 1]" 1 228 1 18 ILE HA 1 18 ILE MD 3.165 . 4.530 3.821 3.782 3.860 . 0 0 "[ . 1]" 1 229 1 18 ILE MD 1 79 LEU MD2 3.500 . 5.200 2.992 2.095 3.699 . 0 0 "[ . 1]" 1 230 1 18 ILE MD 1 18 ILE MG 2.380 . 2.960 1.965 1.910 2.026 . 0 0 "[ . 1]" 1 231 1 18 ILE HA 1 64 ILE MD 2.730 . 3.660 2.433 1.991 3.019 . 0 0 "[ . 1]" 1 232 1 18 ILE MG 1 19 VAL H 2.870 . 3.940 2.881 2.764 2.973 . 0 0 "[ . 1]" 1 233 1 18 ILE H 1 18 ILE MG 2.755 . 3.710 3.706 3.641 3.734 0.024 5 0 "[ . 1]" 1 234 1 18 ILE H 1 19 VAL HB 3.395 . 4.990 4.864 4.687 5.001 0.011 2 0 "[ . 1]" 1 235 1 18 ILE H 1 19 VAL H 2.910 . 4.020 2.796 2.651 2.865 . 0 0 "[ . 1]" 1 236 1 18 ILE H 1 18 ILE HB 2.590 . 3.380 2.367 2.221 2.455 . 0 0 "[ . 1]" 1 237 1 18 ILE HB 1 19 VAL H 2.750 . 3.700 2.421 2.273 2.751 . 0 0 "[ . 1]" 1 238 1 18 ILE MG 1 22 VAL H 3.250 . 4.700 3.953 3.587 4.232 . 0 0 "[ . 1]" 1 239 1 18 ILE H 1 18 ILE MD 3.030 . 4.260 3.625 3.545 3.712 . 0 0 "[ . 1]" 1 240 1 18 ILE MG 1 20 ARG H 3.430 . 5.060 4.812 4.762 4.896 . 0 0 "[ . 1]" 1 241 1 18 ILE H 1 20 ARG H 3.650 . 5.500 4.225 4.084 4.496 . 0 0 "[ . 1]" 1 242 1 18 ILE MD 1 80 PHE HZ 3.095 . 4.390 2.995 2.410 3.898 . 0 0 "[ . 1]" 1 243 1 18 ILE HG13 1 80 PHE HZ 3.650 . 5.500 5.036 4.294 5.512 0.012 8 0 "[ . 1]" 1 244 1 18 ILE H 1 18 ILE QG 3.085 . 4.370 2.277 2.127 2.449 . 0 0 "[ . 1]" 1 245 1 18 ILE H 1 19 VAL MG2 3.215 . 4.630 4.298 4.139 4.457 . 0 0 "[ . 1]" 1 246 1 18 ILE MG 1 22 VAL MG2 3.225 . 4.650 2.876 2.682 3.032 . 0 0 "[ . 1]" 1 247 1 18 ILE QG 1 19 VAL H 3.500 . 5.200 4.075 3.978 4.282 . 0 0 "[ . 1]" 1 248 1 18 ILE QG 1 52 PHE QD 3.230 . 4.660 3.457 2.906 4.142 . 0 0 "[ . 1]" 1 249 1 18 ILE QG 1 64 ILE MD 2.850 . 3.900 2.577 2.142 2.903 . 0 0 "[ . 1]" 1 250 1 18 ILE MD 1 22 VAL MG2 3.620 . 5.440 5.391 5.212 5.494 0.054 7 0 "[ . 1]" 1 251 1 18 ILE MD 1 83 LEU MD1 3.025 . 4.250 3.052 2.171 3.655 . 0 0 "[ . 1]" 1 252 1 18 ILE HA 1 22 VAL H 3.650 . 5.500 4.188 3.863 4.493 . 0 0 "[ . 1]" 1 253 1 19 VAL HA 1 22 VAL H 3.095 . 4.390 3.434 3.258 3.625 . 0 0 "[ . 1]" 1 254 1 19 VAL HA 1 20 ARG QB 3.610 . 5.420 5.240 5.089 5.437 0.017 4 0 "[ . 1]" 1 255 1 19 VAL H 1 19 VAL HB 2.670 . 3.540 2.456 2.407 2.515 . 0 0 "[ . 1]" 1 256 1 19 VAL H 1 20 ARG H 2.805 . 3.810 2.783 2.656 2.839 . 0 0 "[ . 1]" 1 257 1 19 VAL HA 1 23 GLN H 3.615 . 5.430 3.696 3.594 3.813 . 0 0 "[ . 1]" 1 258 1 19 VAL HB 1 20 ARG H 2.785 . 3.770 2.611 2.372 2.779 . 0 0 "[ . 1]" 1 259 1 19 VAL H 1 21 PHE H 3.360 . 4.920 4.259 4.030 4.435 . 0 0 "[ . 1]" 1 260 1 19 VAL H 1 20 ARG HA 3.650 . 5.500 5.364 5.251 5.436 . 0 0 "[ . 1]" 1 261 1 19 VAL H 1 19 VAL MG2 2.370 . 2.940 2.096 2.040 2.235 . 0 0 "[ . 1]" 1 262 1 19 VAL HA 1 22 VAL MG2 2.805 . 3.810 1.946 1.841 2.126 . 0 0 "[ . 1]" 1 263 1 19 VAL MG2 1 20 ARG H 2.885 . 3.970 3.850 3.715 3.960 . 0 0 "[ . 1]" 1 264 1 19 VAL MG2 1 20 ARG HA 3.650 . 5.500 5.375 5.306 5.476 . 0 0 "[ . 1]" 1 265 1 19 VAL MG2 1 21 PHE H 3.620 . 5.440 5.377 5.242 5.493 0.053 1 0 "[ . 1]" 1 266 1 19 VAL MG2 1 23 GLN H 3.415 . 5.030 5.194 5.148 5.247 0.217 7 0 "[ . 1]" 1 267 1 20 ARG QG 1 21 PHE HA 3.650 . 5.500 3.817 2.952 5.586 0.086 4 0 "[ . 1]" 1 268 1 20 ARG QB 1 20 ARG QD 2.725 . 3.650 2.250 2.133 2.418 . 0 0 "[ . 1]" 1 269 1 20 ARG HA 1 23 GLN HB3 3.070 . 4.340 3.452 2.561 4.371 0.031 3 0 "[ . 1]" 1 270 1 20 ARG QB 1 21 PHE QD 3.650 . 5.500 3.843 3.066 5.343 . 0 0 "[ . 1]" 1 271 1 20 ARG HA 1 23 GLN H 3.245 . 4.690 3.823 3.548 4.071 . 0 0 "[ . 1]" 1 272 1 20 ARG H 1 20 ARG QB 2.230 . 2.660 2.304 2.150 2.503 . 0 0 "[ . 1]" 1 273 1 20 ARG HA 1 20 ARG QD 3.250 . 4.700 3.802 2.186 4.154 . 0 0 "[ . 1]" 1 274 1 20 ARG HA 1 23 GLN HB2 3.070 . 4.340 3.376 2.528 3.991 . 0 0 "[ . 1]" 1 275 1 20 ARG QD 1 20 ARG QG 2.100 . 2.400 2.055 1.998 2.107 . 0 0 "[ . 1]" 1 276 1 20 ARG QB 1 21 PHE H 2.630 . 3.460 2.500 2.231 2.844 . 0 0 "[ . 1]" 1 277 1 20 ARG QB 1 22 VAL H 3.500 . 5.200 4.811 4.630 4.943 . 0 0 "[ . 1]" 1 278 1 20 ARG H 1 21 PHE HA 3.630 . 5.460 5.321 5.223 5.400 . 0 0 "[ . 1]" 1 279 1 20 ARG H 1 21 PHE H 2.845 . 3.890 2.771 2.664 2.883 . 0 0 "[ . 1]" 1 280 1 20 ARG HA 1 23 GLN QB 2.705 . 3.610 2.772 2.505 3.036 . 0 0 "[ . 1]" 1 281 1 21 PHE QD 1 64 ILE MD 3.115 . 4.430 3.751 2.762 4.460 0.030 5 0 "[ . 1]" 1 282 1 21 PHE QE 1 64 ILE MG 2.820 . 3.840 3.225 2.426 3.979 0.139 8 0 "[ . 1]" 1 283 1 21 PHE QD 1 64 ILE MG 2.705 . 3.610 2.437 1.872 3.511 . 0 0 "[ . 1]" 1 284 1 21 PHE H 1 64 ILE MG 3.650 . 5.500 4.449 3.689 5.503 0.003 9 0 "[ . 1]" 1 285 1 21 PHE HA 1 21 PHE QD 2.995 . 4.190 2.488 2.065 2.882 . 0 0 "[ . 1]" 1 286 1 21 PHE QD 1 22 VAL HA 3.650 . 5.500 5.159 3.371 5.614 0.114 6 0 "[ . 1]" 1 287 1 21 PHE QD 1 63 GLY HA2 3.490 . 5.180 3.283 2.028 5.213 0.033 8 0 "[ . 1]" 1 288 1 21 PHE QD 1 63 GLY HA3 3.490 . 5.180 3.311 2.162 4.243 . 0 0 "[ . 1]" 1 289 1 21 PHE QE 1 63 GLY HA2 3.650 . 5.500 3.829 2.345 5.508 0.008 9 0 "[ . 1]" 1 290 1 21 PHE QE 1 63 GLY HA3 3.650 . 5.500 4.004 2.338 5.307 . 0 0 "[ . 1]" 1 291 1 21 PHE QB 1 64 ILE MG 3.430 . 5.060 2.674 1.959 3.643 . 0 0 "[ . 1]" 1 292 1 21 PHE HA 1 64 ILE MG 3.650 . 5.500 4.879 4.102 5.621 0.121 7 0 "[ . 1]" 1 293 1 21 PHE QB 1 64 ILE MD 2.955 . 4.110 2.908 1.945 3.589 . 0 0 "[ . 1]" 1 294 1 21 PHE QE 1 64 ILE HB 3.650 . 5.500 4.940 3.308 5.596 0.096 4 0 "[ . 1]" 1 295 1 21 PHE QD 1 22 VAL H 3.285 . 4.770 4.246 3.168 4.546 . 0 0 "[ . 1]" 1 296 1 21 PHE HA 1 24 GLU H 3.165 . 4.530 3.360 2.835 3.951 . 0 0 "[ . 1]" 1 297 1 21 PHE H 1 21 PHE QD 3.025 . 4.250 3.057 2.500 4.182 . 0 0 "[ . 1]" 1 298 1 21 PHE H 1 22 VAL H 2.920 . 4.040 2.676 2.406 2.982 . 0 0 "[ . 1]" 1 299 1 21 PHE H 1 23 GLN H 3.510 . 5.220 4.037 3.731 4.267 . 0 0 "[ . 1]" 1 300 1 21 PHE QB 1 23 GLN H 3.260 . 4.720 4.707 4.582 4.780 0.060 3 0 "[ . 1]" 1 301 1 21 PHE QE 1 64 ILE H 3.390 . 4.980 3.997 3.252 5.041 0.061 7 0 "[ . 1]" 1 302 1 21 PHE H 1 21 PHE QB 2.515 . 3.230 2.300 2.196 2.358 . 0 0 "[ . 1]" 1 303 1 21 PHE QB 1 22 VAL H 2.785 . 3.770 2.711 2.264 2.999 . 0 0 "[ . 1]" 1 304 1 21 PHE H 1 22 VAL MG2 3.620 . 5.440 3.891 3.608 4.138 . 0 0 "[ . 1]" 1 305 1 21 PHE HA 1 24 GLU QB 3.255 . 4.710 4.067 3.106 4.727 0.017 7 0 "[ . 1]" 1 306 1 21 PHE HA 1 24 GLU QG 2.510 . 3.220 2.082 1.862 2.624 . 0 0 "[ . 1]" 1 307 1 21 PHE HA 1 64 ILE QG 3.570 . 5.340 5.074 3.928 5.441 0.101 8 0 "[ . 1]" 1 308 1 21 PHE QB 1 64 ILE QG 3.360 . 4.920 2.615 1.827 3.298 . 0 0 "[ . 1]" 1 309 1 21 PHE QD 1 22 VAL MG2 3.585 . 5.370 5.226 4.137 5.488 0.118 10 0 "[ . 1]" 1 310 1 21 PHE QD 1 63 GLY QA 3.175 . 4.550 2.698 2.016 4.066 . 0 0 "[ . 1]" 1 311 1 21 PHE QE 1 63 GLY QA 3.255 . 4.710 3.164 2.304 3.880 . 0 0 "[ . 1]" 1 312 1 22 VAL HA 1 22 VAL MG2 2.705 . 3.610 3.177 3.148 3.207 . 0 0 "[ . 1]" 1 313 1 22 VAL HA 1 22 VAL MG1 2.705 . 3.610 2.320 2.299 2.331 . 0 0 "[ . 1]" 1 314 1 22 VAL HA 1 25 HIS HD2 3.650 . 5.500 5.011 4.481 5.531 0.031 10 0 "[ . 1]" 1 315 1 22 VAL H 1 22 VAL MG1 2.825 . 3.850 2.401 2.325 2.469 . 0 0 "[ . 1]" 1 316 1 22 VAL H 1 22 VAL MG2 2.825 . 3.280 1.964 1.876 2.041 . 0 0 "[ . 1]" 1 317 1 22 VAL HA 1 25 HIS H 3.100 . 4.400 3.269 3.116 3.393 . 0 0 "[ . 1]" 1 318 1 22 VAL H 1 22 VAL HB 2.710 . 3.620 3.665 3.653 3.672 0.052 4 0 "[ . 1]" 1 319 1 22 VAL H 1 23 GLN QB 3.415 . 5.030 4.350 4.120 4.523 . 0 0 "[ . 1]" 1 320 1 22 VAL HA 1 24 GLU QG 3.570 . 5.340 4.759 4.102 5.355 0.015 10 0 "[ . 1]" 1 321 1 22 VAL HA 1 25 HIS QB 3.570 . 5.340 2.446 2.129 3.202 . 0 0 "[ . 1]" 1 322 1 22 VAL MG2 1 23 GLN H 2.530 . 3.260 2.237 2.108 2.310 . 0 0 "[ . 1]" 1 323 1 22 VAL MG2 1 23 GLN HA 2.735 . 3.670 3.527 3.406 3.650 . 0 0 "[ . 1]" 1 324 1 22 VAL MG2 1 23 GLN QB 3.005 . 4.210 3.510 3.174 3.975 . 0 0 "[ . 1]" 1 325 1 22 VAL MG2 1 24 GLU H 3.230 . 4.660 4.610 4.521 4.672 0.012 9 0 "[ . 1]" 1 326 1 22 VAL MG2 1 25 HIS H 3.320 . 4.840 4.905 4.848 4.943 0.103 4 0 "[ . 1]" 1 327 1 23 GLN HA 1 23 GLN HG3 3.020 . 4.240 3.124 2.593 3.734 . 0 0 "[ . 1]" 1 328 1 23 GLN HA 1 26 SER H 3.650 . 5.500 4.243 3.378 5.387 . 0 0 "[ . 1]" 1 329 1 23 GLN HA 1 23 GLN HG2 3.020 . 4.240 3.168 2.492 3.789 . 0 0 "[ . 1]" 1 330 1 23 GLN H 1 24 GLU HA 3.650 . 5.500 5.370 5.311 5.441 . 0 0 "[ . 1]" 1 331 1 23 GLN H 1 23 GLN HB2 2.635 . 3.470 2.429 2.279 2.549 . 0 0 "[ . 1]" 1 332 1 23 GLN H 1 24 GLU H 2.915 . 4.030 2.869 2.789 2.947 . 0 0 "[ . 1]" 1 333 1 23 GLN HB2 1 24 GLU H 2.975 . 4.150 3.346 2.412 3.912 . 0 0 "[ . 1]" 1 334 1 23 GLN H 1 25 HIS H 3.245 . 4.690 3.931 3.774 4.122 . 0 0 "[ . 1]" 1 335 1 23 GLN H 1 23 GLN HB3 2.635 . 3.470 2.960 2.494 3.559 0.089 4 0 "[ . 1]" 1 336 1 23 GLN HB3 1 24 GLU H 2.975 . 4.150 2.853 2.407 3.671 . 0 0 "[ . 1]" 1 337 1 23 GLN HA 1 25 HIS H 3.015 . 4.230 4.046 3.818 4.271 0.041 7 0 "[ . 1]" 1 338 1 23 GLN H 1 23 GLN QB 2.375 . 2.950 2.275 2.220 2.379 . 0 0 "[ . 1]" 1 339 1 23 GLN H 1 24 GLU QG 3.395 . 4.990 4.357 4.007 4.646 . 0 0 "[ . 1]" 1 340 1 23 GLN HA 1 23 GLN QG 2.625 . 3.450 2.706 2.336 2.986 . 0 0 "[ . 1]" 1 341 1 23 GLN HA 1 23 GLN QE 2.935 . 4.070 3.860 3.499 4.222 0.152 10 0 "[ . 1]" 1 342 1 23 GLN QB 1 24 GLU H 2.605 . 3.410 2.483 2.348 2.731 . 0 0 "[ . 1]" 1 343 1 23 GLN QB 1 24 GLU HA 3.455 . 5.110 4.030 3.789 4.263 . 0 0 "[ . 1]" 1 344 1 23 GLN QE 1 23 GLN QG 2.410 . 3.020 2.157 2.035 2.200 . 0 0 "[ . 1]" 1 345 1 24 GLU H 1 25 HIS H 2.835 . 3.870 2.564 2.482 2.688 . 0 0 "[ . 1]" 1 346 1 24 GLU H 1 24 GLU HG3 2.850 . 3.900 2.992 2.093 3.570 . 0 0 "[ . 1]" 1 347 1 24 GLU H 1 24 GLU HG2 2.850 . 3.900 2.681 2.061 3.891 . 0 0 "[ . 1]" 1 348 1 24 GLU H 1 24 GLU QB 2.515 . 3.230 2.678 2.513 2.840 . 0 0 "[ . 1]" 1 349 1 24 GLU H 1 24 GLU QG 2.570 . 3.340 2.210 2.046 2.535 . 0 0 "[ . 1]" 1 350 1 24 GLU HA 1 24 GLU QB 2.195 . 2.590 2.179 2.172 2.192 . 0 0 "[ . 1]" 1 351 1 24 GLU HA 1 24 GLU QG 2.765 . 3.730 3.417 3.345 3.625 . 0 0 "[ . 1]" 1 352 1 24 GLU QB 1 25 HIS H 2.845 . 3.890 3.780 3.652 3.908 0.018 8 0 "[ . 1]" 1 353 1 24 GLU QG 1 25 HIS H 3.415 . 5.030 3.021 2.563 3.433 . 0 0 "[ . 1]" 1 354 1 25 HIS HB3 1 26 SER H 3.140 . 4.480 3.730 2.712 4.430 . 0 0 "[ . 1]" 1 355 1 25 HIS H 1 25 HIS HB2 2.810 . 3.820 2.592 2.255 3.590 . 0 0 "[ . 1]" 1 356 1 25 HIS H 1 26 SER H 2.700 . 3.600 2.667 2.457 3.060 . 0 0 "[ . 1]" 1 357 1 25 HIS HA 1 26 SER H 2.645 . 3.490 3.224 2.824 3.494 0.004 10 0 "[ . 1]" 1 358 1 25 HIS H 1 25 HIS HB3 2.810 . 3.820 3.015 2.324 3.806 . 0 0 "[ . 1]" 1 359 1 25 HIS HB2 1 26 SER H 3.140 . 4.480 3.979 3.002 4.529 0.049 2 0 "[ . 1]" 1 360 1 25 HIS H 1 25 HIS QB 2.560 . 3.320 2.323 2.217 2.618 . 0 0 "[ . 1]" 1 361 1 25 HIS HA 1 25 HIS QB 2.140 . 2.480 2.399 2.177 2.493 0.013 10 0 "[ . 1]" 1 362 1 26 SER H 1 27 SER H 2.980 . 4.160 2.630 2.355 3.254 . 0 0 "[ . 1]" 1 363 1 26 SER QB 1 27 SER H 2.945 . 4.090 3.160 2.621 3.945 . 0 0 "[ . 1]" 1 364 1 26 SER H 1 26 SER QB 2.315 . 2.830 2.474 2.254 2.850 0.020 10 0 "[ . 1]" 1 365 1 27 SER HA 1 27 SER QB 2.100 . 2.400 2.346 2.202 2.411 0.011 1 0 "[ . 1]" 1 366 1 27 SER H 1 27 SER QB 2.975 . 4.150 2.581 2.315 3.093 . 0 0 "[ . 1]" 1 367 1 29 GLN HA 1 29 GLN QG 2.780 . 3.760 2.614 2.374 3.005 . 0 0 "[ . 1]" 1 368 1 29 GLN QG 1 30 GLY H 3.650 . 5.500 3.954 3.014 4.440 . 0 0 "[ . 1]" 1 369 1 29 GLN HE21 1 29 GLN QG 2.100 . 2.400 2.172 2.115 2.218 . 0 0 "[ . 1]" 1 370 1 29 GLN QB 1 29 GLN QG 2.055 . 2.310 2.053 1.984 2.091 . 0 0 "[ . 1]" 1 371 1 31 MET H 1 31 MET QG 3.095 . 4.390 2.596 2.033 4.137 . 0 0 "[ . 1]" 1 372 1 33 ASN QB 1 34 ILE H 2.845 . 3.890 2.943 1.780 3.940 0.050 7 0 "[ . 1]" 1 373 1 34 ILE MG 1 61 GLN QG 2.695 . 3.590 2.972 2.232 3.677 0.087 7 0 "[ . 1]" 1 374 1 34 ILE HA 1 34 ILE MG 2.670 . 3.540 2.844 2.385 3.239 . 0 0 "[ . 1]" 1 375 1 34 ILE HB 1 34 ILE MD 2.750 . 3.700 2.495 2.433 2.657 . 0 0 "[ . 1]" 1 376 1 34 ILE MD 1 65 PHE QE 2.880 . 3.960 3.478 2.147 4.061 0.101 9 0 "[ . 1]" 1 377 1 34 ILE MD 1 65 PHE HZ 3.030 . 4.260 3.986 3.464 4.386 0.126 8 0 "[ . 1]" 1 378 1 34 ILE HB 1 61 GLN QG 2.925 . 4.050 2.314 1.804 4.092 0.042 8 0 "[ . 1]" 1 379 1 34 ILE MG 1 35 LYS H 2.910 . 4.020 3.224 2.281 4.127 0.107 10 0 "[ . 1]" 1 380 1 34 ILE MD 1 65 PHE QD 3.495 . 5.190 4.360 2.854 5.379 0.189 2 0 "[ . 1]" 1 381 1 34 ILE H 1 61 GLN QG 3.505 . 5.210 3.824 3.032 4.917 . 0 0 "[ . 1]" 1 382 1 34 ILE H 1 34 ILE QG 3.140 . 4.480 3.292 1.831 4.213 . 0 0 "[ . 1]" 1 383 1 34 ILE HA 1 34 ILE QG 2.450 . 3.100 2.476 2.394 2.521 . 0 0 "[ . 1]" 1 384 1 34 ILE QG 1 61 GLN QB 3.255 . 4.710 3.640 1.921 4.828 0.118 2 0 "[ . 1]" 1 385 1 35 LYS H 1 35 LYS QE 3.650 . 5.500 4.771 3.545 5.568 0.068 7 0 "[ . 1]" 1 386 1 35 LYS H 1 35 LYS QB 2.655 . 3.510 2.805 2.386 3.399 . 0 0 "[ . 1]" 1 387 1 35 LYS H 1 35 LYS QG 3.650 . 5.500 3.013 1.933 4.234 . 0 0 "[ . 1]" 1 388 1 36 HIS QB 1 36 HIS HD2 2.450 . 3.100 2.772 2.655 2.933 . 0 0 "[ . 1]" 1 389 1 36 HIS HA 1 37 VAL HA 3.310 . 4.820 4.369 4.274 4.512 . 0 0 "[ . 1]" 1 390 1 36 HIS QB 1 37 VAL H 3.000 . 4.200 3.112 1.975 4.018 . 0 0 "[ . 1]" 1 391 1 36 HIS HA 1 37 VAL H 2.615 . 3.430 2.511 2.134 3.496 0.066 9 0 "[ . 1]" 1 392 1 37 VAL HA 1 37 VAL QG 2.360 . 2.920 2.263 2.158 2.353 . 0 0 "[ . 1]" 1 393 1 37 VAL H 1 37 VAL QG 2.710 . 3.620 2.156 1.859 2.953 . 0 0 "[ . 1]" 1 394 1 37 VAL HB 1 38 GLY H 3.155 . 4.510 3.518 1.789 4.368 0.011 9 0 "[ . 1]" 1 395 1 37 VAL HA 1 38 GLY H 2.565 . 3.330 2.642 2.084 3.439 0.109 9 0 "[ . 1]" 1 396 1 37 VAL H 1 38 GLY H 3.650 . 5.500 3.509 1.796 4.579 0.004 10 0 "[ . 1]" 1 397 1 37 VAL QG 1 38 GLY H 2.995 . 4.190 2.988 2.415 3.706 . 0 0 "[ . 1]" 1 398 1 37 VAL H 1 37 VAL HB 2.850 . 3.900 3.264 2.580 3.858 . 0 0 "[ . 1]" 1 399 1 38 GLY H 1 39 PRO QD 3.130 . 4.460 3.832 2.258 4.374 . 0 0 "[ . 1]" 1 400 1 41 GLY QA 1 42 ARG H 2.635 . 3.470 2.365 2.070 2.811 . 0 0 "[ . 1]" 1 401 1 42 ARG HA 1 42 ARG QD 2.840 . 3.880 3.481 2.111 3.941 0.061 1 0 "[ . 1]" 1 402 1 42 ARG H 1 43 PHE QE 3.650 . 5.500 4.886 3.917 5.618 0.118 5 0 "[ . 1]" 1 403 1 42 ARG H 1 42 ARG QD 3.245 . 4.690 4.177 2.846 4.795 0.105 5 0 "[ . 1]" 1 404 1 42 ARG H 1 43 PHE H 3.010 . 4.220 3.976 2.883 4.264 0.044 1 0 "[ . 1]" 1 405 1 42 ARG H 1 42 ARG QG 2.615 . 3.430 2.998 2.535 3.245 . 0 0 "[ . 1]" 1 406 1 42 ARG HA 1 42 ARG QG 2.690 . 3.580 2.693 2.357 3.519 . 0 0 "[ . 1]" 1 407 1 42 ARG QB 1 42 ARG QD 2.690 . 3.580 2.249 2.022 2.651 . 0 0 "[ . 1]" 1 408 1 43 PHE HA 1 47 MET QB 2.925 . 4.050 3.375 3.100 3.788 . 0 0 "[ . 1]" 1 409 1 43 PHE HA 1 44 THR MG 3.515 . 5.230 3.787 3.446 3.985 . 0 0 "[ . 1]" 1 410 1 43 PHE HA 1 43 PHE QD 3.040 . 4.280 2.886 2.218 3.734 . 0 0 "[ . 1]" 1 411 1 43 PHE QD 1 48 LEU MD2 2.610 . 3.420 2.547 2.147 3.396 . 0 0 "[ . 1]" 1 412 1 43 PHE HA 1 48 LEU MD1 3.570 . 5.340 4.785 3.606 5.317 . 0 0 "[ . 1]" 1 413 1 43 PHE HA 1 48 LEU HG 3.235 . 4.670 4.354 3.537 4.755 0.085 8 0 "[ . 1]" 1 414 1 43 PHE HA 1 48 LEU MD2 3.585 . 5.370 3.638 2.336 4.286 . 0 0 "[ . 1]" 1 415 1 43 PHE HB3 1 48 LEU MD2 3.225 . 4.650 2.590 2.055 3.124 . 0 0 "[ . 1]" 1 416 1 43 PHE HB2 1 48 LEU MD2 3.225 . 4.650 3.649 2.100 4.676 0.026 1 0 "[ . 1]" 1 417 1 43 PHE HA 1 44 THR H 2.600 . 3.400 2.121 2.014 2.299 . 0 0 "[ . 1]" 1 418 1 43 PHE H 1 43 PHE QD 3.095 . 4.390 2.931 2.334 3.422 . 0 0 "[ . 1]" 1 419 1 43 PHE QD 1 44 THR H 3.650 . 5.500 4.462 4.041 4.780 . 0 0 "[ . 1]" 1 420 1 43 PHE HB2 1 44 THR H 3.310 . 4.820 4.129 3.328 4.445 . 0 0 "[ . 1]" 1 421 1 43 PHE HB3 1 44 THR H 3.310 . 4.820 3.597 2.622 3.947 . 0 0 "[ . 1]" 1 422 1 43 PHE HA 1 47 MET H 3.650 . 5.500 5.385 5.235 5.552 0.052 9 0 "[ . 1]" 1 423 1 43 PHE H 1 43 PHE QB 2.710 . 3.620 2.634 2.496 3.031 . 0 0 "[ . 1]" 1 424 1 43 PHE HA 1 105 VAL MG2 3.650 . 5.500 5.541 5.338 5.620 0.120 8 0 "[ . 1]" 1 425 1 43 PHE QB 1 47 MET QB 3.570 . 5.340 4.177 2.958 5.266 . 0 0 "[ . 1]" 1 426 1 43 PHE QB 1 48 LEU MD2 2.940 . 4.080 2.450 2.040 3.080 . 0 0 "[ . 1]" 1 427 1 44 THR MG 1 104 TYR HA 3.185 . 4.570 2.223 2.050 2.834 . 0 0 "[ . 1]" 1 428 1 44 THR MG 1 102 ILE MG 2.665 . 3.530 3.144 2.061 3.590 0.060 10 0 "[ . 1]" 1 429 1 44 THR HB 1 102 ILE MG 3.555 . 5.310 4.868 3.492 5.384 0.074 8 0 "[ . 1]" 1 430 1 44 THR HA 1 44 THR MG 2.880 . 3.960 2.413 2.335 2.527 . 0 0 "[ . 1]" 1 431 1 44 THR HA 1 44 THR HB 2.210 . 2.620 2.499 2.478 2.529 . 0 0 "[ . 1]" 1 432 1 44 THR MG 1 47 MET QB 3.060 . 4.320 4.035 3.291 4.328 0.008 7 0 "[ . 1]" 1 433 1 44 THR MG 1 102 ILE MD 3.200 . 4.600 2.573 1.927 4.556 . 0 0 "[ . 1]" 1 434 1 44 THR HA 1 105 VAL HB 2.905 . 4.010 3.464 3.164 3.982 . 0 0 "[ . 1]" 1 435 1 44 THR HA 1 105 VAL H 3.275 . 4.750 2.632 2.351 2.924 . 0 0 "[ . 1]" 1 436 1 44 THR MG 1 104 TYR QB 2.600 . 3.400 3.261 1.832 3.492 0.092 9 0 "[ . 1]" 1 437 1 44 THR MG 1 104 TYR H 3.650 . 5.500 4.106 3.864 4.336 . 0 0 "[ . 1]" 1 438 1 44 THR MG 1 105 VAL H 3.650 . 5.500 3.848 3.622 4.146 . 0 0 "[ . 1]" 1 439 1 44 THR HB 1 45 MET H 2.605 . 3.410 2.739 2.533 2.958 . 0 0 "[ . 1]" 1 440 1 44 THR MG 1 47 MET H 3.460 . 5.120 4.418 4.041 4.689 . 0 0 "[ . 1]" 1 441 1 44 THR H 1 47 MET QB 2.650 . 3.500 2.403 2.007 2.804 . 0 0 "[ . 1]" 1 442 1 44 THR H 1 47 MET H 2.990 . 4.180 3.590 3.346 3.877 . 0 0 "[ . 1]" 1 443 1 44 THR MG 1 45 MET H 2.940 . 4.080 3.883 3.794 4.059 . 0 0 "[ . 1]" 1 444 1 44 THR MG 1 46 ASN H 3.290 . 4.780 4.511 4.329 4.716 . 0 0 "[ . 1]" 1 445 1 44 THR H 1 104 TYR QB 3.585 . 5.370 5.186 3.645 5.446 0.076 2 0 "[ . 1]" 1 446 1 44 THR H 1 44 THR MG 2.750 . 3.700 2.675 2.200 2.904 . 0 0 "[ . 1]" 1 447 1 44 THR H 1 48 LEU HG 3.650 . 5.500 3.789 3.231 4.499 . 0 0 "[ . 1]" 1 448 1 44 THR H 1 104 TYR QD 3.650 . 5.500 4.850 4.370 5.586 0.086 6 0 "[ . 1]" 1 449 1 44 THR MG 1 104 TYR QD 2.890 . 3.980 2.729 2.406 2.934 . 0 0 "[ . 1]" 1 450 1 44 THR MG 1 104 TYR QE 3.265 . 4.730 3.332 2.924 4.796 0.066 6 0 "[ . 1]" 1 451 1 44 THR HA 1 105 VAL MG2 3.075 . 4.350 2.796 2.612 3.080 . 0 0 "[ . 1]" 1 452 1 44 THR HA 1 47 MET H 3.650 . 5.500 4.691 4.518 4.904 . 0 0 "[ . 1]" 1 453 1 45 MET HA 1 105 VAL HB 2.880 . 3.960 3.995 3.943 4.050 0.090 10 0 "[ . 1]" 1 454 1 45 MET HA 1 48 LEU MD1 2.955 . 4.110 2.468 2.264 2.713 . 0 0 "[ . 1]" 1 455 1 45 MET HA 1 48 LEU HB2 3.300 . 4.800 2.886 2.760 3.062 . 0 0 "[ . 1]" 1 456 1 45 MET HA 1 48 LEU MD2 3.600 . 5.400 4.512 4.133 4.804 . 0 0 "[ . 1]" 1 457 1 45 MET QG 1 46 ASN HD22 3.650 . 5.500 4.684 3.078 5.588 0.088 2 0 "[ . 1]" 1 458 1 45 MET QG 1 46 ASN HA 3.025 . 4.250 3.236 3.015 3.504 . 0 0 "[ . 1]" 1 459 1 45 MET QB 1 80 PHE HB3 3.135 . 4.470 2.714 2.289 3.322 . 0 0 "[ . 1]" 1 460 1 45 MET HA 1 48 LEU H 3.395 . 4.990 3.516 3.177 3.710 . 0 0 "[ . 1]" 1 461 1 45 MET HA 1 49 VAL H 3.650 . 5.500 4.415 4.187 4.597 . 0 0 "[ . 1]" 1 462 1 45 MET HA 1 48 LEU HG 3.500 . 5.200 3.041 2.537 3.429 . 0 0 "[ . 1]" 1 463 1 45 MET QB 1 48 LEU MD1 2.925 . 4.050 3.746 3.244 4.085 0.035 10 0 "[ . 1]" 1 464 1 45 MET QG 1 48 LEU H 3.650 . 5.500 5.235 5.108 5.505 0.005 1 0 "[ . 1]" 1 465 1 45 MET HA 1 47 MET H 3.390 . 4.980 4.307 4.022 4.523 . 0 0 "[ . 1]" 1 466 1 45 MET H 1 46 ASN H 3.010 . 4.220 2.820 2.596 3.041 . 0 0 "[ . 1]" 1 467 1 45 MET QG 1 46 ASN H 2.570 . 3.340 2.187 1.945 2.476 . 0 0 "[ . 1]" 1 468 1 45 MET H 1 105 VAL HB 2.930 . 4.060 4.070 3.939 4.120 0.060 9 0 "[ . 1]" 1 469 1 45 MET H 1 46 ASN HA 3.650 . 5.500 5.387 5.226 5.513 0.013 9 0 "[ . 1]" 1 470 1 45 MET H 1 48 LEU HB2 3.650 . 5.500 5.398 5.122 5.518 0.018 1 0 "[ . 1]" 1 471 1 45 MET H 1 48 LEU MD1 3.650 . 5.500 4.340 4.027 4.567 . 0 0 "[ . 1]" 1 472 1 45 MET QG 1 46 ASN HD21 3.650 . 5.500 4.104 2.541 5.120 . 0 0 "[ . 1]" 1 473 1 45 MET HA 1 80 PHE QE 3.650 . 5.500 4.901 4.152 5.502 0.002 5 0 "[ . 1]" 1 474 1 45 MET QB 1 80 PHE QD 2.975 . 4.150 3.598 2.936 4.154 0.004 5 0 "[ . 1]" 1 475 1 45 MET H 1 105 VAL MG2 2.915 . 4.030 2.250 2.114 2.418 . 0 0 "[ . 1]" 1 476 1 45 MET HA 1 49 VAL MG2 3.620 . 5.440 3.907 3.617 4.059 . 0 0 "[ . 1]" 1 477 1 45 MET HA 1 105 VAL MG2 2.415 . 3.030 2.319 2.150 2.542 . 0 0 "[ . 1]" 1 478 1 45 MET QB 1 49 VAL MG2 3.300 . 4.800 3.437 3.193 3.607 . 0 0 "[ . 1]" 1 479 1 46 ASN HA 1 49 VAL HB 3.130 . 4.460 2.777 2.310 3.026 . 0 0 "[ . 1]" 1 480 1 46 ASN H 1 47 MET H 2.965 . 4.130 2.611 2.488 2.742 . 0 0 "[ . 1]" 1 481 1 46 ASN H 1 48 LEU HG 3.650 . 5.500 5.032 4.816 5.297 . 0 0 "[ . 1]" 1 482 1 46 ASN H 1 46 ASN HB2 2.725 . 3.650 2.437 2.304 2.573 . 0 0 "[ . 1]" 1 483 1 46 ASN H 1 46 ASN HB3 2.725 . 3.650 3.121 2.515 3.666 0.016 1 0 "[ . 1]" 1 484 1 46 ASN HA 1 49 VAL H 2.710 . 3.620 3.408 2.983 3.595 . 0 0 "[ . 1]" 1 485 1 46 ASN H 1 49 VAL MG2 3.620 . 5.440 4.396 4.087 4.606 . 0 0 "[ . 1]" 1 486 1 46 ASN H 1 105 VAL MG2 3.620 . 5.440 4.493 4.320 4.722 . 0 0 "[ . 1]" 1 487 1 46 ASN HA 1 49 VAL MG2 3.080 . 4.360 2.843 2.166 3.311 . 0 0 "[ . 1]" 1 488 1 46 ASN QB 1 47 MET H 2.750 . 3.700 2.768 2.441 3.155 . 0 0 "[ . 1]" 1 489 1 46 ASN QB 1 49 VAL MG2 3.540 . 5.280 4.482 3.844 4.953 . 0 0 "[ . 1]" 1 490 1 47 MET QB 1 47 MET ME 2.905 . 4.010 3.022 2.042 3.706 . 0 0 "[ . 1]" 1 491 1 47 MET H 1 48 LEU MD2 3.315 . 4.830 4.822 4.535 4.872 0.042 5 0 "[ . 1]" 1 492 1 47 MET H 1 47 MET ME 3.300 . 4.800 4.381 4.054 4.679 . 0 0 "[ . 1]" 1 493 1 47 MET H 1 47 MET QB 2.605 . 3.410 2.319 2.199 2.434 . 0 0 "[ . 1]" 1 494 1 47 MET QB 1 48 LEU H 3.095 . 4.390 2.599 2.482 2.736 . 0 0 "[ . 1]" 1 495 1 47 MET H 1 48 LEU HG 3.250 . 4.700 4.053 3.965 4.178 . 0 0 "[ . 1]" 1 496 1 47 MET HA 1 50 ASP H 3.650 . 5.500 3.507 3.138 3.896 . 0 0 "[ . 1]" 1 497 1 48 LEU HG 1 105 VAL HB 2.985 . 4.170 3.837 3.670 3.969 . 0 0 "[ . 1]" 1 498 1 48 LEU HG 1 105 VAL MG1 3.410 . 5.020 4.180 4.001 4.755 . 0 0 "[ . 1]" 1 499 1 48 LEU HG 1 105 VAL MG2 3.410 . 3.770 3.709 3.550 3.831 0.061 9 0 "[ . 1]" 1 500 1 48 LEU HB2 1 48 LEU MD2 2.920 . 4.040 3.203 3.176 3.216 . 0 0 "[ . 1]" 1 501 1 48 LEU HA 1 51 ILE MD 2.955 . 4.110 3.268 2.494 4.254 0.144 9 0 "[ . 1]" 1 502 1 48 LEU HB2 1 48 LEU MD1 2.220 . 2.640 2.362 2.338 2.397 . 0 0 "[ . 1]" 1 503 1 48 LEU HA 1 48 LEU MD2 2.325 . 2.850 2.069 1.995 2.139 . 0 0 "[ . 1]" 1 504 1 48 LEU HB3 1 48 LEU MD2 2.915 . 4.030 2.430 2.357 2.494 . 0 0 "[ . 1]" 1 505 1 48 LEU HB3 1 48 LEU MD1 2.870 . 3.940 2.330 2.291 2.343 . 0 0 "[ . 1]" 1 506 1 48 LEU H 1 48 LEU MD2 2.465 . 3.130 3.091 2.948 3.154 0.024 6 0 "[ . 1]" 1 507 1 48 LEU HB3 1 49 VAL H 3.290 . 4.780 3.814 3.653 3.992 . 0 0 "[ . 1]" 1 508 1 48 LEU HA 1 51 ILE HB 2.880 . 3.960 2.952 2.366 3.921 . 0 0 "[ . 1]" 1 509 1 48 LEU HA 1 48 LEU MD1 2.915 . 4.030 3.836 3.819 3.857 . 0 0 "[ . 1]" 1 510 1 48 LEU H 1 48 LEU HG 2.705 . 3.610 2.244 2.186 2.299 . 0 0 "[ . 1]" 1 511 1 48 LEU H 1 48 LEU HB3 2.780 . 3.760 3.590 3.565 3.614 . 0 0 "[ . 1]" 1 512 1 48 LEU H 1 49 VAL HB 3.650 . 5.500 4.568 4.343 4.692 . 0 0 "[ . 1]" 1 513 1 48 LEU HB2 1 49 VAL H 3.015 . 4.230 2.767 2.580 2.949 . 0 0 "[ . 1]" 1 514 1 48 LEU HB2 1 50 ASP H 3.535 . 5.270 5.071 4.945 5.273 0.003 3 0 "[ . 1]" 1 515 1 48 LEU H 1 48 LEU HB2 2.690 . 3.580 2.529 2.477 2.599 . 0 0 "[ . 1]" 1 516 1 48 LEU H 1 48 LEU MD1 2.850 . 3.900 3.679 3.627 3.758 . 0 0 "[ . 1]" 1 517 1 48 LEU HG 1 49 VAL H 3.110 . 4.420 4.388 4.322 4.438 0.018 6 0 "[ . 1]" 1 518 1 48 LEU H 1 49 VAL H 2.720 . 3.640 2.719 2.594 2.826 . 0 0 "[ . 1]" 1 519 1 48 LEU MD1 1 80 PHE QE 2.785 . 3.770 2.830 2.573 3.108 . 0 0 "[ . 1]" 1 520 1 48 LEU HB3 1 80 PHE HZ 3.040 . 4.280 3.121 2.781 3.660 . 0 0 "[ . 1]" 1 521 1 48 LEU HB2 1 80 PHE HZ 3.230 . 4.660 3.846 3.013 4.297 . 0 0 "[ . 1]" 1 522 1 48 LEU HB2 1 49 VAL MG2 3.200 . 4.600 3.160 2.915 3.349 . 0 0 "[ . 1]" 1 523 1 48 LEU MD1 1 105 VAL MG2 2.590 . 3.380 2.359 2.039 2.611 . 0 0 "[ . 1]" 1 524 1 48 LEU HA 1 51 ILE H 3.650 . 5.500 3.553 3.357 3.813 . 0 0 "[ . 1]" 1 525 1 48 LEU HA 1 52 PHE H 3.650 . 5.500 3.928 3.712 4.220 . 0 0 "[ . 1]" 1 526 1 49 VAL HA 1 49 VAL MG2 2.855 . 3.910 2.252 2.168 2.291 . 0 0 "[ . 1]" 1 527 1 49 VAL MG2 1 76 ALA MB . . 2.580 2.421 1.994 2.628 0.048 10 0 "[ . 1]" 1 528 1 49 VAL HA 1 76 ALA MB 3.195 . 4.590 2.954 2.468 3.234 . 0 0 "[ . 1]" 1 529 1 49 VAL MG2 1 77 GLU QG 3.080 . 3.780 2.109 1.776 3.631 0.024 3 0 "[ . 1]" 1 530 1 49 VAL HA 1 52 PHE H 3.305 . 4.810 3.439 3.216 3.642 . 0 0 "[ . 1]" 1 531 1 49 VAL HA 1 53 LEU H 3.650 . 5.500 4.121 3.840 4.448 . 0 0 "[ . 1]" 1 532 1 49 VAL MG1 1 77 GLU QG 3.080 . 4.360 2.234 1.799 3.855 0.001 9 0 "[ . 1]" 1 533 1 49 VAL MG1 1 76 ALA MB 2.660 . 3.520 1.855 1.805 1.921 . 0 0 "[ . 1]" 1 534 1 49 VAL HA 1 49 VAL MG1 2.855 . 3.910 2.365 2.301 2.460 . 0 0 "[ . 1]" 1 535 1 49 VAL H 1 49 VAL MG2 2.495 . 2.580 1.978 1.845 2.187 . 0 0 "[ . 1]" 1 536 1 49 VAL MG1 1 50 ASP H 3.095 . 4.390 3.009 2.708 3.222 . 0 0 "[ . 1]" 1 537 1 49 VAL MG1 1 77 GLU H 3.440 . 5.080 3.070 2.854 3.321 . 0 0 "[ . 1]" 1 538 1 49 VAL H 1 49 VAL MG1 2.495 . 3.190 3.488 3.467 3.505 0.315 2 0 "[ . 1]" 1 539 1 49 VAL H 1 49 VAL HB 2.730 . 3.660 2.190 2.106 2.245 . 0 0 "[ . 1]" 1 540 1 49 VAL H 1 50 ASP H 2.785 . 3.770 2.517 2.375 2.630 . 0 0 "[ . 1]" 1 541 1 49 VAL HB 1 50 ASP H 2.900 . 4.000 2.351 2.257 2.512 . 0 0 "[ . 1]" 1 542 1 49 VAL MG2 1 50 ASP H 3.095 . 3.550 3.670 3.644 3.705 0.155 9 0 "[ . 1]" 1 543 1 49 VAL HB 1 52 PHE H 3.650 . 5.500 5.388 5.243 5.507 0.007 10 0 "[ . 1]" 1 544 1 49 VAL HA 1 51 ILE H 3.265 . 4.730 4.474 4.261 4.598 . 0 0 "[ . 1]" 1 545 1 49 VAL MG2 1 77 GLU H 3.440 . 4.220 3.172 2.810 3.789 . 0 0 "[ . 1]" 1 546 1 49 VAL HA 1 80 PHE HZ 3.615 . 5.430 4.176 3.861 4.563 . 0 0 "[ . 1]" 1 547 1 49 VAL HA 1 80 PHE QE 3.100 . 4.400 2.823 2.267 3.299 . 0 0 "[ . 1]" 1 548 1 49 VAL H 1 50 ASP QB 3.285 . 4.770 4.333 4.036 4.526 . 0 0 "[ . 1]" 1 549 1 49 VAL MG2 1 76 ALA H 3.620 . 5.440 4.748 4.319 5.283 . 0 0 "[ . 1]" 1 550 1 49 VAL MG2 1 76 ALA HA 3.275 . 4.750 4.218 3.923 4.443 . 0 0 "[ . 1]" 1 551 1 49 VAL MG2 1 77 GLU HA 2.870 . 3.940 2.397 2.046 2.736 . 0 0 "[ . 1]" 1 552 1 49 VAL MG2 1 78 ARG H 3.620 . 5.440 4.850 4.561 5.420 . 0 0 "[ . 1]" 1 553 1 49 VAL MG2 1 80 PHE HB2 3.295 . 4.790 3.561 2.888 4.307 . 0 0 "[ . 1]" 1 554 1 49 VAL MG2 1 80 PHE HZ 2.975 . 4.150 4.145 3.985 4.229 0.079 5 0 "[ . 1]" 1 555 1 49 VAL MG2 1 80 PHE QE 2.655 . 3.510 2.437 2.124 2.997 . 0 0 "[ . 1]" 1 556 1 49 VAL MG2 1 80 PHE QD 2.575 . 3.350 2.339 2.127 2.664 . 0 0 "[ . 1]" 1 557 1 50 ASP HB3 1 51 ILE H 3.365 . 4.930 2.801 2.282 3.448 . 0 0 "[ . 1]" 1 558 1 50 ASP HB2 1 51 ILE H 3.365 . 4.930 3.321 2.335 3.736 . 0 0 "[ . 1]" 1 559 1 50 ASP H 1 50 ASP HA 2.345 . 2.890 2.813 2.790 2.843 . 0 0 "[ . 1]" 1 560 1 50 ASP HA 1 52 PHE H 3.650 . 5.500 4.530 4.367 4.712 . 0 0 "[ . 1]" 1 561 1 50 ASP H 1 50 ASP HB3 2.710 . 3.620 3.100 2.780 3.669 0.049 6 0 "[ . 1]" 1 562 1 50 ASP H 1 50 ASP HB2 2.710 . 3.620 2.330 2.177 2.621 . 0 0 "[ . 1]" 1 563 1 50 ASP HB3 1 58 ALA H 3.640 . 5.480 3.369 2.982 4.094 . 0 0 "[ . 1]" 1 564 1 50 ASP H 1 51 ILE HB 3.615 . 5.430 4.785 4.464 5.118 . 0 0 "[ . 1]" 1 565 1 50 ASP H 1 58 ALA MB 3.650 . 5.500 4.891 4.241 5.443 . 0 0 "[ . 1]" 1 566 1 50 ASP HA 1 53 LEU H 3.115 . 4.430 3.823 3.460 4.198 . 0 0 "[ . 1]" 1 567 1 50 ASP HB2 1 58 ALA H 3.640 . 5.480 4.624 4.087 5.519 0.039 8 0 "[ . 1]" 1 568 1 50 ASP H 1 50 ASP QB 2.480 . 3.160 2.256 2.121 2.567 . 0 0 "[ . 1]" 1 569 1 50 ASP H 1 55 SER QB 3.385 . 4.970 4.880 4.581 5.012 0.042 6 0 "[ . 1]" 1 570 1 50 ASP HA 1 53 LEU MD1 3.620 . 5.440 4.474 4.200 5.178 . 0 0 "[ . 1]" 1 571 1 50 ASP HA 1 55 SER QB 2.280 . 2.760 2.569 2.156 2.780 0.020 9 0 "[ . 1]" 1 572 1 50 ASP QB 1 51 ILE MD 3.215 . 4.630 3.871 2.235 4.636 0.006 3 0 "[ . 1]" 1 573 1 50 ASP QB 1 55 SER QB 2.750 . 3.700 3.102 1.981 3.383 . 0 0 "[ . 1]" 1 574 1 50 ASP QB 1 58 ALA H 3.235 . 4.670 3.289 2.913 3.990 . 0 0 "[ . 1]" 1 575 1 50 ASP QB 1 58 ALA MB 3.095 . 4.390 2.615 2.293 2.888 . 0 0 "[ . 1]" 1 576 1 51 ILE HA 1 65 PHE QD 3.060 . 4.320 3.279 2.489 4.522 0.202 10 0 "[ . 1]" 1 577 1 51 ILE MD 1 65 PHE QE 2.850 . 3.900 3.729 2.341 4.117 0.217 7 0 "[ . 1]" 1 578 1 51 ILE MD 1 60 ILE MG 2.960 . 4.120 3.385 1.839 4.397 0.277 10 0 "[ . 1]" 1 579 1 51 ILE HB 1 52 PHE H 2.485 . 3.170 2.827 2.506 3.509 0.339 9 0 "[ . 1]" 1 580 1 51 ILE HB 1 51 ILE MD 2.325 . 2.850 2.442 2.243 2.590 . 0 0 "[ . 1]" 1 581 1 51 ILE MG 1 58 ALA MB 2.815 . 3.830 3.345 2.567 3.619 . 0 0 "[ . 1]" 1 582 1 51 ILE MG 1 65 PHE QE 2.570 . 3.340 3.208 2.497 3.487 0.147 5 0 "[ . 1]" 1 583 1 51 ILE H 1 51 ILE MG 3.020 . 4.240 3.471 2.086 3.807 . 0 0 "[ . 1]" 1 584 1 51 ILE MG 1 66 GLY H 3.315 . 4.830 3.836 3.602 4.345 . 0 0 "[ . 1]" 1 585 1 51 ILE MG 1 65 PHE HA 2.820 . 3.840 2.421 2.072 2.843 . 0 0 "[ . 1]" 1 586 1 51 ILE HA 1 51 ILE MG 2.265 . 2.730 2.600 2.237 3.028 0.298 9 0 "[ . 1]" 1 587 1 51 ILE MG 1 65 PHE HB2 3.285 . 4.770 3.102 2.512 4.654 . 0 0 "[ . 1]" 1 588 1 51 ILE MD 1 65 PHE QD 3.325 . 4.850 3.493 1.976 4.466 . 0 0 "[ . 1]" 1 589 1 51 ILE HG12 1 51 ILE MG 2.900 . 4.000 2.253 2.033 2.426 . 0 0 "[ . 1]" 1 590 1 51 ILE HG13 1 51 ILE MG 2.900 . 4.000 2.897 2.177 3.208 . 0 0 "[ . 1]" 1 591 1 51 ILE MG 1 65 PHE HZ 3.650 . 5.500 4.984 3.639 5.440 . 0 0 "[ . 1]" 1 592 1 51 ILE MD 1 60 ILE HB 3.650 . 5.500 2.936 1.885 5.395 . 0 0 "[ . 1]" 1 593 1 51 ILE HA 1 58 ALA MB 2.690 . 3.580 2.382 1.882 2.697 . 0 0 "[ . 1]" 1 594 1 51 ILE MG 1 52 PHE HA 3.650 . 5.500 3.265 3.042 3.947 . 0 0 "[ . 1]" 1 595 1 51 ILE MG 1 58 ALA HA 3.650 . 5.500 5.305 4.298 5.591 0.091 3 0 "[ . 1]" 1 596 1 51 ILE MG 1 52 PHE H 2.720 . 3.640 3.015 2.055 3.661 0.021 6 0 "[ . 1]" 1 597 1 51 ILE H 1 52 PHE H 2.880 . 3.960 2.590 2.369 2.709 . 0 0 "[ . 1]" 1 598 1 51 ILE H 1 54 GLY H 3.650 . 5.500 4.682 4.468 4.923 . 0 0 "[ . 1]" 1 599 1 51 ILE MG 1 54 GLY H 3.260 . 4.720 4.400 4.144 4.738 0.018 3 0 "[ . 1]" 1 600 1 51 ILE HA 1 60 ILE H 3.650 . 5.500 4.992 3.412 5.533 0.033 2 0 "[ . 1]" 1 601 1 51 ILE MD 1 60 ILE H 2.695 . 3.590 2.794 2.232 3.435 . 0 0 "[ . 1]" 1 602 1 51 ILE H 1 51 ILE MD 2.810 . 3.820 3.272 2.079 3.958 0.138 9 0 "[ . 1]" 1 603 1 51 ILE HG13 1 52 PHE H 3.650 . 5.500 4.631 4.059 5.196 . 0 0 "[ . 1]" 1 604 1 51 ILE HG12 1 52 PHE H 3.650 . 5.500 4.853 4.269 5.301 . 0 0 "[ . 1]" 1 605 1 51 ILE HG12 1 60 ILE H 2.965 . 4.130 3.486 3.040 3.944 . 0 0 "[ . 1]" 1 606 1 51 ILE HG13 1 60 ILE H 2.965 . 4.130 3.492 2.488 4.156 0.026 3 0 "[ . 1]" 1 607 1 51 ILE MG 1 65 PHE H 3.140 . 4.480 3.548 3.089 4.351 . 0 0 "[ . 1]" 1 608 1 51 ILE H 1 52 PHE QB 3.445 . 5.090 4.250 4.123 4.380 . 0 0 "[ . 1]" 1 609 1 51 ILE H 1 51 ILE HB 2.665 . 3.530 2.375 2.005 2.627 . 0 0 "[ . 1]" 1 610 1 51 ILE H 1 55 SER H 3.625 . 5.450 4.870 4.586 5.111 . 0 0 "[ . 1]" 1 611 1 51 ILE MG 1 65 PHE QD 2.800 . 3.800 1.902 1.766 2.772 0.034 6 0 "[ . 1]" 1 612 1 51 ILE H 1 51 ILE QG 2.800 . 3.800 2.928 2.092 3.766 . 0 0 "[ . 1]" 1 613 1 51 ILE H 1 55 SER QB 3.570 . 5.340 4.591 4.303 4.764 . 0 0 "[ . 1]" 1 614 1 51 ILE HA 1 51 ILE QG 2.625 . 3.450 2.307 1.898 2.624 . 0 0 "[ . 1]" 1 615 1 51 ILE QG 1 51 ILE MG 2.475 . 3.150 2.153 1.975 2.349 . 0 0 "[ . 1]" 1 616 1 51 ILE QG 1 52 PHE H 3.260 . 4.720 4.191 3.840 4.675 . 0 0 "[ . 1]" 1 617 1 51 ILE QG 1 58 ALA H 3.490 . 5.180 4.698 4.366 5.186 0.006 8 0 "[ . 1]" 1 618 1 51 ILE QG 1 58 ALA MB 2.925 . 4.050 1.903 1.775 2.191 0.025 7 0 "[ . 1]" 1 619 1 51 ILE QG 1 60 ILE H 2.670 . 3.540 2.933 2.460 3.266 . 0 0 "[ . 1]" 1 620 1 51 ILE QG 1 60 ILE MD 3.455 . 5.110 4.390 3.112 5.149 0.039 7 0 "[ . 1]" 1 621 1 52 PHE HA 1 52 PHE QD 2.900 . 4.000 2.461 2.255 2.828 . 0 0 "[ . 1]" 1 622 1 52 PHE QD 1 64 ILE MD 2.945 . 4.090 2.285 2.028 2.635 . 0 0 "[ . 1]" 1 623 1 52 PHE QE 1 64 ILE MD 2.990 . 4.180 3.405 2.100 4.186 0.006 3 0 "[ . 1]" 1 624 1 52 PHE H 1 64 ILE MD 3.590 . 5.380 4.375 3.514 5.464 0.084 7 0 "[ . 1]" 1 625 1 52 PHE QB 1 64 ILE MD 3.050 . 4.300 3.061 2.119 4.234 . 0 0 "[ . 1]" 1 626 1 52 PHE QD 1 64 ILE MG 3.075 . 4.350 2.835 2.125 3.896 . 0 0 "[ . 1]" 1 627 1 52 PHE QD 1 76 ALA MB 3.045 . 4.290 2.463 1.989 2.789 . 0 0 "[ . 1]" 1 628 1 52 PHE QB 1 76 ALA MB 3.320 . 4.840 3.336 2.993 3.534 . 0 0 "[ . 1]" 1 629 1 52 PHE QD 1 53 LEU MD2 3.615 . 5.430 4.668 4.334 4.908 . 0 0 "[ . 1]" 1 630 1 52 PHE QE 1 76 ALA MB 3.380 . 4.960 3.268 2.835 3.714 . 0 0 "[ . 1]" 1 631 1 52 PHE QD 1 64 ILE HB 3.650 . 5.500 2.966 1.931 5.120 . 0 0 "[ . 1]" 1 632 1 52 PHE HA 1 64 ILE MD 2.975 . 4.150 3.409 3.027 3.990 . 0 0 "[ . 1]" 1 633 1 52 PHE HA 1 68 GLY H 3.475 . 5.150 3.686 3.357 4.005 . 0 0 "[ . 1]" 1 634 1 52 PHE H 1 53 LEU H 3.015 . 4.230 2.808 2.696 2.924 . 0 0 "[ . 1]" 1 635 1 52 PHE HA 1 66 GLY H 3.450 . 5.100 3.357 2.793 3.715 . 0 0 "[ . 1]" 1 636 1 52 PHE QD 1 53 LEU H 3.135 . 4.470 3.902 3.652 4.136 . 0 0 "[ . 1]" 1 637 1 52 PHE H 1 52 PHE QD 3.085 . 4.370 4.148 4.073 4.237 . 0 0 "[ . 1]" 1 638 1 52 PHE QB 1 53 LEU H 2.765 . 3.730 2.504 2.351 2.602 . 0 0 "[ . 1]" 1 639 1 52 PHE HA 1 54 GLY H 3.085 . 4.370 4.276 3.968 4.414 0.044 3 0 "[ . 1]" 1 640 1 52 PHE QE 1 68 GLY H 3.615 . 5.430 4.303 3.975 5.311 . 0 0 "[ . 1]" 1 641 1 52 PHE H 1 52 PHE QB 2.625 . 3.450 2.203 2.139 2.303 . 0 0 "[ . 1]" 1 642 1 52 PHE QB 1 80 PHE HZ 3.650 . 5.500 3.282 2.724 4.072 . 0 0 "[ . 1]" 1 643 1 52 PHE QD 1 67 LYS QB 3.490 . 5.180 3.604 2.655 5.245 0.065 9 0 "[ . 1]" 1 644 1 52 PHE QD 1 53 LEU MD1 3.615 . 4.640 2.307 2.008 2.569 . 0 0 "[ . 1]" 1 645 1 52 PHE QB 1 80 PHE QE 3.320 . 4.840 3.346 2.973 3.969 . 0 0 "[ . 1]" 1 646 1 52 PHE HA 1 53 LEU MD1 3.620 . 5.440 4.618 4.413 4.702 . 0 0 "[ . 1]" 1 647 1 52 PHE QB 1 53 LEU MD1 2.330 . 2.860 2.796 2.629 2.879 0.019 7 0 "[ . 1]" 1 648 1 52 PHE QD 1 67 LYS QG 3.570 . 5.340 4.578 3.429 5.368 0.028 10 0 "[ . 1]" 1 649 1 52 PHE QD 1 79 LEU MD1 3.620 . 5.440 5.309 4.933 5.559 0.119 8 0 "[ . 1]" 1 650 1 52 PHE QE 1 53 LEU MD1 3.555 . 5.310 3.595 3.225 3.847 . 0 0 "[ . 1]" 1 651 1 52 PHE QE 1 79 LEU MD1 3.610 . 5.420 4.153 3.863 4.444 . 0 0 "[ . 1]" 1 652 1 53 LEU HA 1 69 SER HA 3.055 . 4.310 2.195 1.961 2.463 . 0 0 "[ . 1]" 1 653 1 53 LEU HA 1 53 LEU MD2 2.790 . 3.780 3.788 3.769 3.813 0.033 9 0 "[ . 1]" 1 654 1 53 LEU MD2 1 76 ALA MB 2.755 . 3.710 3.566 3.136 3.748 0.038 4 0 "[ . 1]" 1 655 1 53 LEU HA 1 53 LEU MD1 2.790 . 3.230 2.394 2.270 2.596 . 0 0 "[ . 1]" 1 656 1 53 LEU MD2 1 71 TYR HB2 3.310 . 4.820 3.602 3.496 3.739 . 0 0 "[ . 1]" 1 657 1 53 LEU MD1 1 71 TYR HB3 3.310 . 4.820 2.630 2.396 2.882 . 0 0 "[ . 1]" 1 658 1 53 LEU MD1 1 71 TYR HB2 3.310 . 4.820 1.966 1.898 2.054 . 0 0 "[ . 1]" 1 659 1 53 LEU MD2 1 71 TYR HB3 3.310 . 4.820 3.811 3.681 3.949 . 0 0 "[ . 1]" 1 660 1 53 LEU MD1 1 76 ALA MB . . 2.680 2.374 2.017 2.570 . 0 0 "[ . 1]" 1 661 1 53 LEU MD2 1 76 ALA H 3.650 . 5.500 4.584 4.061 4.807 . 0 0 "[ . 1]" 1 662 1 53 LEU H 1 53 LEU HB3 2.760 . 3.720 3.490 3.433 3.542 . 0 0 "[ . 1]" 1 663 1 53 LEU MD2 1 54 GLY H 3.650 . 5.500 5.040 4.761 5.306 . 0 0 "[ . 1]" 1 664 1 53 LEU HA 1 71 TYR H 3.580 . 5.360 4.566 4.289 4.823 . 0 0 "[ . 1]" 1 665 1 53 LEU H 1 54 GLY H 2.875 . 3.950 2.477 2.325 2.548 . 0 0 "[ . 1]" 1 666 1 53 LEU MD1 1 54 GLY H 3.650 . 4.700 4.456 4.295 4.540 . 0 0 "[ . 1]" 1 667 1 53 LEU HB2 1 54 GLY H 3.205 . 4.610 3.255 2.919 3.579 . 0 0 "[ . 1]" 1 668 1 53 LEU MD1 1 74 HIS H 3.650 . 5.500 5.547 5.313 5.653 0.153 2 0 "[ . 1]" 1 669 1 53 LEU MD2 1 74 HIS H 3.650 . 5.500 4.644 4.472 4.943 . 0 0 "[ . 1]" 1 670 1 53 LEU H 1 53 LEU HB2 2.760 . 3.720 2.216 2.145 2.275 . 0 0 "[ . 1]" 1 671 1 53 LEU HB3 1 54 GLY H 3.205 . 4.610 3.621 3.400 3.840 . 0 0 "[ . 1]" 1 672 1 53 LEU H 1 55 SER H 3.165 . 4.530 3.923 3.731 4.118 . 0 0 "[ . 1]" 1 673 1 53 LEU MD1 1 55 SER H 3.650 . 5.500 5.417 5.138 5.525 0.025 2 0 "[ . 1]" 1 674 1 53 LEU MD2 1 55 SER H 3.650 . 5.500 5.091 4.574 5.341 . 0 0 "[ . 1]" 1 675 1 53 LEU MD1 1 76 ALA H 3.650 . 4.040 3.922 3.509 4.074 0.034 7 0 "[ . 1]" 1 676 1 53 LEU HA 1 55 SER H 3.650 . 5.500 5.007 4.678 5.363 . 0 0 "[ . 1]" 1 677 1 53 LEU H 1 53 LEU QB 2.425 . 3.050 2.193 2.125 2.249 . 0 0 "[ . 1]" 1 678 1 53 LEU H 1 53 LEU MD1 2.335 . 2.870 2.696 2.528 2.800 . 0 0 "[ . 1]" 1 679 1 53 LEU H 1 55 SER QB 3.250 . 4.700 4.412 3.910 4.735 0.035 3 0 "[ . 1]" 1 680 1 53 LEU QB 1 54 GLY H 2.785 . 3.770 3.032 2.766 3.291 . 0 0 "[ . 1]" 1 681 1 53 LEU QB 1 55 SER H 2.680 . 3.560 3.341 2.857 3.551 . 0 0 "[ . 1]" 1 682 1 53 LEU QB 1 69 SER HA 3.305 . 4.810 3.275 2.723 3.492 . 0 0 "[ . 1]" 1 683 1 53 LEU MD1 1 68 GLY H 3.620 . 5.440 4.203 3.858 4.613 . 0 0 "[ . 1]" 1 684 1 53 LEU MD1 1 69 SER HA 2.625 . 3.450 3.260 3.058 3.459 0.009 3 0 "[ . 1]" 1 685 1 53 LEU MD1 1 70 ALA HA 3.620 . 5.440 5.594 5.582 5.611 0.171 3 0 "[ . 1]" 1 686 1 53 LEU MD1 1 71 TYR H 2.860 . 3.920 3.180 3.111 3.291 . 0 0 "[ . 1]" 1 687 1 53 LEU MD1 1 71 TYR HA 3.295 . 4.790 4.182 4.038 4.346 . 0 0 "[ . 1]" 1 688 1 53 LEU MD2 1 71 TYR QB 2.485 . 3.170 3.288 3.235 3.362 0.192 6 0 "[ . 1]" 1 689 1 53 LEU MD1 1 71 TYR QD 3.620 . 5.440 3.646 3.478 3.788 . 0 0 "[ . 1]" 1 690 1 53 LEU MD1 1 72 SER H 3.350 . 4.900 4.313 3.899 4.638 . 0 0 "[ . 1]" 1 691 1 53 LEU MD1 1 72 SER HA 3.105 . 4.410 4.031 3.487 4.430 0.020 7 0 "[ . 1]" 1 692 1 53 LEU MD1 1 76 ALA HA 3.485 . 5.170 4.537 4.058 4.857 . 0 0 "[ . 1]" 1 693 1 53 LEU MD1 1 80 PHE QE 3.620 . 5.440 4.902 4.530 5.336 . 0 0 "[ . 1]" 1 694 1 54 GLY H 1 55 SER H 2.650 . 3.500 2.237 2.048 2.397 . 0 0 "[ . 1]" 1 695 1 54 GLY HA2 1 66 GLY H 3.065 . 4.330 3.199 2.646 4.276 . 0 0 "[ . 1]" 1 696 1 54 GLY HA3 1 66 GLY H 3.065 . 4.330 3.624 3.131 4.334 0.004 9 0 "[ . 1]" 1 697 1 54 GLY H 1 66 GLY H 3.110 . 4.420 3.191 2.653 3.758 . 0 0 "[ . 1]" 1 698 1 54 GLY H 1 55 SER QB 3.030 . 4.260 3.818 3.563 4.265 0.005 4 0 "[ . 1]" 1 699 1 54 GLY H 1 66 GLY QA 3.570 . 5.340 3.655 3.315 4.419 . 0 0 "[ . 1]" 1 700 1 54 GLY QA 1 66 GLY H 2.795 . 3.790 2.986 2.513 3.799 0.009 5 0 "[ . 1]" 1 701 1 55 SER HB2 1 58 ALA MB 3.190 . 4.580 4.362 3.593 4.728 0.148 2 0 "[ . 1]" 1 702 1 55 SER H 1 58 ALA MB 3.605 . 5.410 3.537 2.232 4.556 . 0 0 "[ . 1]" 1 703 1 55 SER HB3 1 58 ALA MB 3.190 . 4.580 3.600 3.139 4.637 0.057 3 0 "[ . 1]" 1 704 1 55 SER H 1 58 ALA H 3.650 . 5.500 4.723 3.761 5.310 . 0 0 "[ . 1]" 1 705 1 55 SER H 1 55 SER QB 2.445 . 3.090 2.199 2.072 2.320 . 0 0 "[ . 1]" 1 706 1 55 SER QB 1 58 ALA H 2.675 . 3.550 3.417 2.968 3.652 0.102 5 0 "[ . 1]" 1 707 1 55 SER QB 1 58 ALA MB 2.805 . 3.810 3.306 3.093 3.648 . 0 0 "[ . 1]" 1 708 1 58 ALA MB 1 65 PHE QD 2.855 . 3.910 3.587 3.039 4.241 0.331 9 0 "[ . 1]" 1 709 1 58 ALA MB 1 59 LYS H 3.360 . 4.920 3.089 2.269 3.537 . 0 0 "[ . 1]" 1 710 1 58 ALA MB 1 59 LYS HA 3.120 . 4.440 4.222 4.031 4.480 0.040 9 0 "[ . 1]" 1 711 1 58 ALA MB 1 65 PHE HB2 3.650 . 5.500 5.414 4.991 5.629 0.129 10 0 "[ . 1]" 1 712 1 58 ALA H 1 59 LYS H 3.290 . 4.780 4.263 3.750 4.557 . 0 0 "[ . 1]" 1 713 1 58 ALA H 1 60 ILE H 3.650 . 5.500 5.276 4.856 5.582 0.082 1 0 "[ . 1]" 1 714 1 58 ALA MB 1 61 GLN HE22 3.155 . 4.510 2.870 1.835 3.805 . 0 0 "[ . 1]" 1 715 1 58 ALA H 1 61 GLN HE21 3.650 . 5.500 5.390 5.026 5.570 0.070 4 0 "[ . 1]" 1 716 1 58 ALA H 1 58 ALA MB 2.515 . 3.230 2.132 2.045 2.266 . 0 0 "[ . 1]" 1 717 1 58 ALA MB 1 61 GLN HE21 3.155 . 4.510 2.939 2.530 3.217 . 0 0 "[ . 1]" 1 718 1 58 ALA H 1 61 GLN HE22 3.650 . 5.500 4.866 3.884 5.576 0.076 9 0 "[ . 1]" 1 719 1 58 ALA MB 1 60 ILE H 2.495 . 3.190 2.842 2.368 3.280 0.090 5 0 "[ . 1]" 1 720 1 58 ALA H 1 61 GLN QE 3.285 . 4.770 4.483 3.761 4.901 0.131 5 0 "[ . 1]" 1 721 1 58 ALA MB 1 61 GLN QE 2.790 . 3.780 2.490 1.812 3.037 . 0 0 "[ . 1]" 1 722 1 59 LYS H 1 60 ILE H 2.965 . 4.130 2.464 2.088 3.118 . 0 0 "[ . 1]" 1 723 1 59 LYS H 1 59 LYS QB 2.605 . 3.410 2.432 2.235 2.587 . 0 0 "[ . 1]" 1 724 1 60 ILE HB 1 60 ILE MD 2.900 . 4.000 2.515 2.399 3.222 . 0 0 "[ . 1]" 1 725 1 60 ILE HA 1 60 ILE MG 2.810 . 3.820 2.541 2.355 3.221 . 0 0 "[ . 1]" 1 726 1 60 ILE HG12 1 60 ILE MG 2.810 . 3.820 2.460 2.227 3.217 . 0 0 "[ . 1]" 1 727 1 60 ILE HG13 1 60 ILE MG 2.810 . 3.820 3.062 2.402 3.219 . 0 0 "[ . 1]" 1 728 1 60 ILE MD 1 60 ILE MG 2.585 . 3.370 2.079 1.879 3.256 . 0 0 "[ . 1]" 1 729 1 60 ILE HA 1 60 ILE MD 2.810 . 3.820 3.558 2.193 3.876 0.056 2 0 "[ . 1]" 1 730 1 60 ILE MG 1 61 GLN H 3.290 . 4.780 2.847 2.407 3.303 . 0 0 "[ . 1]" 1 731 1 60 ILE MG 1 62 SER QB 3.480 . 5.160 3.288 2.167 4.525 . 0 0 "[ . 1]" 1 732 1 60 ILE MG 1 65 PHE HB2 3.650 . 5.500 4.350 1.880 5.563 0.063 8 0 "[ . 1]" 1 733 1 60 ILE MG 1 61 GLN HA 3.285 . 4.770 3.687 3.010 4.380 . 0 0 "[ . 1]" 1 734 1 60 ILE H 1 60 ILE HG13 3.205 . 4.610 3.324 2.804 4.634 0.024 7 0 "[ . 1]" 1 735 1 60 ILE H 1 60 ILE MG 2.945 . 4.090 3.745 2.505 4.016 . 0 0 "[ . 1]" 1 736 1 60 ILE H 1 60 ILE HB 2.515 . 3.230 2.868 2.335 3.427 0.197 10 0 "[ . 1]" 1 737 1 60 ILE H 1 60 ILE HG12 3.205 . 4.610 3.907 2.564 4.554 . 0 0 "[ . 1]" 1 738 1 60 ILE H 1 61 GLN H 3.650 . 5.500 3.787 2.465 4.386 . 0 0 "[ . 1]" 1 739 1 60 ILE MG 1 62 SER H 2.670 . 3.540 2.301 1.794 2.894 0.006 5 0 "[ . 1]" 1 740 1 60 ILE MD 1 62 SER H 3.650 . 5.500 4.971 3.116 5.553 0.053 4 0 "[ . 1]" 1 741 1 60 ILE H 1 60 ILE QG 2.890 . 3.980 3.051 2.524 4.072 0.092 7 0 "[ . 1]" 1 742 1 60 ILE HA 1 60 ILE QG 2.645 . 3.490 2.455 2.270 2.913 . 0 0 "[ . 1]" 1 743 1 60 ILE HA 1 61 GLN QE 2.980 . 4.160 3.970 3.538 4.331 0.171 5 0 "[ . 1]" 1 744 1 60 ILE QG 1 60 ILE MG 2.435 . 3.070 2.308 2.094 2.356 . 0 0 "[ . 1]" 1 745 1 61 GLN HA 1 61 GLN QG 2.600 . 3.400 2.795 2.263 3.303 . 0 0 "[ . 1]" 1 746 1 61 GLN HA 1 65 PHE HB2 2.960 . 4.120 3.500 2.257 4.263 0.143 9 0 "[ . 1]" 1 747 1 61 GLN H 1 61 GLN QG 3.650 . 5.500 2.971 2.393 3.927 . 0 0 "[ . 1]" 1 748 1 61 GLN HA 1 65 PHE QD 2.685 . 3.570 2.977 2.194 3.789 0.219 9 0 "[ . 1]" 1 749 1 61 GLN QG 1 62 SER H 3.325 . 4.850 4.680 4.274 4.909 0.059 8 0 "[ . 1]" 1 750 1 61 GLN H 1 62 SER H 3.035 . 4.270 3.097 2.372 3.870 . 0 0 "[ . 1]" 1 751 1 61 GLN HA 1 61 GLN QB 2.220 . 2.640 2.370 2.266 2.462 . 0 0 "[ . 1]" 1 752 1 61 GLN HA 1 61 GLN QE 2.950 . 4.100 3.114 1.774 4.140 0.040 9 0 "[ . 1]" 1 753 1 61 GLN QB 1 61 GLN QE 2.985 . 4.170 3.364 2.871 3.758 . 0 0 "[ . 1]" 1 754 1 61 GLN QB 1 62 SER H 3.010 . 4.220 3.748 3.402 3.918 . 0 0 "[ . 1]" 1 755 1 61 GLN QB 1 65 PHE HB2 3.570 . 5.340 4.411 3.661 5.358 0.018 7 0 "[ . 1]" 1 756 1 62 SER H 1 65 PHE HB3 3.650 . 5.500 4.752 3.609 5.563 0.063 5 0 "[ . 1]" 1 757 1 62 SER H 1 65 PHE HB2 3.200 . 4.600 3.332 2.208 4.339 . 0 0 "[ . 1]" 1 758 1 63 GLY QA 1 64 ILE MG 3.570 . 5.340 4.165 3.918 4.789 . 0 0 "[ . 1]" 1 759 1 63 GLY QA 1 65 PHE H 3.005 . 4.210 3.320 2.940 3.521 . 0 0 "[ . 1]" 1 760 1 64 ILE H 1 64 ILE MD 3.250 . 4.700 4.056 3.514 4.582 . 0 0 "[ . 1]" 1 761 1 64 ILE HA 1 64 ILE MD 2.975 . 4.150 3.896 2.017 4.187 0.037 6 0 "[ . 1]" 1 762 1 64 ILE HB 1 64 ILE MD 2.905 . 4.010 2.541 2.399 3.186 . 0 0 "[ . 1]" 1 763 1 64 ILE HA 1 64 ILE MG 2.630 . 3.460 2.436 2.151 3.194 . 0 0 "[ . 1]" 1 764 1 64 ILE MD 1 64 ILE MG 2.450 . 3.100 1.912 1.854 2.038 . 0 0 "[ . 1]" 1 765 1 64 ILE HA 1 67 LYS HG2 2.795 . 3.790 2.701 1.976 3.304 . 0 0 "[ . 1]" 1 766 1 64 ILE HA 1 67 LYS HG3 2.795 . 3.790 2.535 1.997 3.813 0.023 4 0 "[ . 1]" 1 767 1 64 ILE MG 1 68 GLY H 3.650 . 5.500 5.038 4.735 5.608 0.108 8 0 "[ . 1]" 1 768 1 64 ILE HB 1 67 LYS H 3.650 . 5.500 4.322 3.647 5.699 0.199 9 0 "[ . 1]" 1 769 1 64 ILE H 1 64 ILE MG 2.945 . 4.090 2.878 1.852 4.149 0.059 7 0 "[ . 1]" 1 770 1 64 ILE H 1 64 ILE HG12 3.300 . 4.800 2.964 1.835 4.616 . 0 0 "[ . 1]" 1 771 1 64 ILE MG 1 65 PHE H 3.345 . 4.890 4.014 2.903 4.509 . 0 0 "[ . 1]" 1 772 1 64 ILE H 1 64 ILE HG13 3.300 . 4.800 3.596 2.389 4.558 . 0 0 "[ . 1]" 1 773 1 64 ILE H 1 65 PHE H 3.075 . 4.350 2.783 2.130 3.188 . 0 0 "[ . 1]" 1 774 1 64 ILE MG 1 67 LYS H 3.065 . 4.330 4.289 3.760 4.455 0.125 10 0 "[ . 1]" 1 775 1 64 ILE H 1 64 ILE QG 2.945 . 4.090 2.788 1.787 4.009 0.013 1 0 "[ . 1]" 1 776 1 64 ILE HA 1 67 LYS QG 2.545 . 3.290 2.225 1.824 2.828 . 0 0 "[ . 1]" 1 777 1 64 ILE MG 1 67 LYS QG 2.660 . 3.520 3.013 1.981 3.662 0.142 8 0 "[ . 1]" 1 778 1 64 ILE QG 1 65 PHE H 3.545 . 5.290 3.866 3.158 4.479 . 0 0 "[ . 1]" 1 779 1 65 PHE H 1 65 PHE HB2 2.360 . 2.920 2.420 2.073 2.839 . 0 0 "[ . 1]" 1 780 1 65 PHE HA 1 65 PHE QD 2.940 . 4.080 2.701 2.169 3.014 . 0 0 "[ . 1]" 1 781 1 65 PHE H 1 66 GLY H 3.255 . 4.710 4.255 4.115 4.322 . 0 0 "[ . 1]" 1 782 1 65 PHE QD 1 66 GLY H 3.610 . 5.420 3.980 3.617 4.575 . 0 0 "[ . 1]" 1 783 1 65 PHE HB3 1 66 GLY H 3.240 . 4.680 4.110 3.473 4.359 . 0 0 "[ . 1]" 1 784 1 65 PHE HA 1 66 GLY H 2.400 . 3.000 2.092 2.037 2.162 . 0 0 "[ . 1]" 1 785 1 65 PHE H 1 65 PHE HB3 2.815 . 3.830 2.914 2.533 3.569 . 0 0 "[ . 1]" 1 786 1 65 PHE H 1 67 LYS H 3.650 . 5.500 4.500 4.252 4.961 . 0 0 "[ . 1]" 1 787 1 65 PHE QD 1 67 LYS H 3.650 . 5.500 5.501 5.273 5.566 0.066 8 0 "[ . 1]" 1 788 1 66 GLY H 1 67 LYS QB 3.300 . 4.800 4.531 3.994 4.814 0.014 9 0 "[ . 1]" 1 789 1 66 GLY H 1 68 GLY H 3.410 . 5.020 3.851 3.522 4.065 . 0 0 "[ . 1]" 1 790 1 66 GLY H 1 67 LYS H 2.930 . 4.060 2.459 2.227 2.673 . 0 0 "[ . 1]" 1 791 1 66 GLY H 1 66 GLY QA 2.190 . 2.580 2.229 2.195 2.292 . 0 0 "[ . 1]" 1 792 1 67 LYS H 1 67 LYS HG2 3.025 . 4.250 3.228 2.709 4.091 . 0 0 "[ . 1]" 1 793 1 67 LYS QB 1 68 GLY H 2.845 . 3.890 3.028 2.185 3.717 . 0 0 "[ . 1]" 1 794 1 67 LYS H 1 68 GLY H 2.475 . 3.150 2.327 1.834 2.886 . 0 0 "[ . 1]" 1 795 1 67 LYS H 1 67 LYS HG3 3.025 . 4.250 3.803 2.214 4.333 0.083 5 0 "[ . 1]" 1 796 1 67 LYS H 1 67 LYS QB 2.490 . 3.180 2.448 2.002 2.695 . 0 0 "[ . 1]" 1 797 1 67 LYS H 1 67 LYS QG 2.715 . 3.630 2.906 2.198 3.724 0.094 4 0 "[ . 1]" 1 798 1 67 LYS HA 1 67 LYS QD 3.230 . 4.660 2.676 1.899 3.841 . 0 0 "[ . 1]" 1 799 1 67 LYS QG 1 68 GLY H 3.570 . 5.340 4.259 3.328 4.841 . 0 0 "[ . 1]" 1 800 1 68 GLY HA2 1 71 TYR QD 3.255 . 4.710 3.176 2.571 4.466 . 0 0 "[ . 1]" 1 801 1 68 GLY H 1 69 SER H 3.155 . 4.510 2.891 2.326 3.868 . 0 0 "[ . 1]" 1 802 1 68 GLY HA3 1 71 TYR QD 3.255 . 4.710 3.101 2.459 3.638 . 0 0 "[ . 1]" 1 803 1 68 GLY QA 1 69 SER HA 3.395 . 4.990 4.127 4.013 4.164 . 0 0 "[ . 1]" 1 804 1 68 GLY QA 1 71 TYR H 3.560 . 5.320 3.852 3.587 4.311 . 0 0 "[ . 1]" 1 805 1 68 GLY QA 1 71 TYR QD 2.955 . 4.110 2.753 2.326 3.143 . 0 0 "[ . 1]" 1 806 1 69 SER HA 1 70 ALA MB 3.650 . 5.500 4.867 4.824 4.908 . 0 0 "[ . 1]" 1 807 1 69 SER HA 1 71 TYR H 2.990 . 4.180 3.360 3.209 3.571 . 0 0 "[ . 1]" 1 808 1 69 SER H 1 70 ALA H 2.670 . 3.540 2.684 2.452 2.798 . 0 0 "[ . 1]" 1 809 1 69 SER H 1 71 TYR H 3.015 . 4.230 4.290 4.250 4.339 0.109 9 0 "[ . 1]" 1 810 1 69 SER H 1 69 SER QB 2.725 . 3.650 2.439 2.240 2.768 . 0 0 "[ . 1]" 1 811 1 69 SER QB 1 70 ALA H 2.950 . 4.100 3.476 3.345 3.863 . 0 0 "[ . 1]" 1 812 1 69 SER QB 1 71 TYR H 3.570 . 5.340 4.585 4.454 4.729 . 0 0 "[ . 1]" 1 813 1 70 ALA MB 1 71 TYR H 2.750 . 3.700 3.314 3.225 3.359 . 0 0 "[ . 1]" 1 814 1 70 ALA H 1 71 TYR H 2.585 . 3.370 2.211 2.094 2.342 . 0 0 "[ . 1]" 1 815 1 70 ALA H 1 70 ALA MB 2.420 . 3.040 2.375 2.346 2.402 . 0 0 "[ . 1]" 1 816 1 70 ALA MB 1 71 TYR QD 3.385 . 4.970 3.362 2.942 3.925 . 0 0 "[ . 1]" 1 817 1 70 ALA HA 1 71 TYR QB 3.570 . 5.340 5.106 5.057 5.155 . 0 0 "[ . 1]" 1 818 1 71 TYR HA 1 72 SER HB3 3.550 . 5.300 4.660 4.469 4.762 . 0 0 "[ . 1]" 1 819 1 71 TYR QE 1 79 LEU MD1 3.510 . 4.340 2.487 2.117 2.733 . 0 0 "[ . 1]" 1 820 1 71 TYR QD 1 76 ALA MB 3.160 . 4.520 3.175 2.779 3.586 . 0 0 "[ . 1]" 1 821 1 71 TYR HB2 1 76 ALA MB 2.910 . 4.020 2.972 2.793 3.296 . 0 0 "[ . 1]" 1 822 1 71 TYR HA 1 72 SER HB2 3.550 . 5.300 4.626 4.534 4.759 . 0 0 "[ . 1]" 1 823 1 71 TYR QD 1 76 ALA HA 3.110 . 4.420 2.957 2.531 3.350 . 0 0 "[ . 1]" 1 824 1 71 TYR HB3 1 76 ALA MB 2.910 . 4.020 2.519 2.058 3.178 . 0 0 "[ . 1]" 1 825 1 71 TYR HA 1 71 TYR QD 3.340 . 4.880 3.135 3.035 3.222 . 0 0 "[ . 1]" 1 826 1 71 TYR H 1 71 TYR QE 3.565 . 5.330 4.877 4.698 5.038 . 0 0 "[ . 1]" 1 827 1 71 TYR HB2 1 72 SER H 3.340 . 4.880 3.988 3.687 4.129 . 0 0 "[ . 1]" 1 828 1 71 TYR H 1 72 SER H 3.240 . 4.680 4.466 4.378 4.524 . 0 0 "[ . 1]" 1 829 1 71 TYR QD 1 72 SER H 3.590 . 5.380 3.906 3.447 4.224 . 0 0 "[ . 1]" 1 830 1 71 TYR H 1 71 TYR HB2 2.750 . 3.700 2.333 2.237 2.386 . 0 0 "[ . 1]" 1 831 1 71 TYR H 1 71 TYR HB3 2.750 . 3.700 3.573 3.511 3.598 . 0 0 "[ . 1]" 1 832 1 71 TYR H 1 71 TYR QD 2.650 . 3.500 2.592 2.380 2.791 . 0 0 "[ . 1]" 1 833 1 71 TYR HB3 1 72 SER H 3.340 . 4.880 2.835 2.354 3.077 . 0 0 "[ . 1]" 1 834 1 71 TYR HA 1 72 SER H 2.445 . 3.090 2.237 2.101 2.364 . 0 0 "[ . 1]" 1 835 1 71 TYR QD 1 76 ALA H 3.080 . 4.360 3.290 3.100 3.672 . 0 0 "[ . 1]" 1 836 1 71 TYR HA 1 76 ALA H 3.620 . 5.440 5.061 4.674 5.390 . 0 0 "[ . 1]" 1 837 1 71 TYR QD 1 77 GLU H 3.650 . 5.500 5.503 5.448 5.547 0.047 3 0 "[ . 1]" 1 838 1 71 TYR QE 1 79 LEU MD2 3.510 . 5.220 4.771 3.249 5.266 0.046 5 0 "[ . 1]" 1 839 1 71 TYR H 1 71 TYR QB 2.515 . 3.230 2.304 2.213 2.354 . 0 0 "[ . 1]" 1 840 1 71 TYR HA 1 75 ASN QB 2.985 . 4.170 3.578 2.807 4.236 0.066 9 0 "[ . 1]" 1 841 1 71 TYR QB 1 72 SER H 2.980 . 4.160 2.776 2.328 2.997 . 0 0 "[ . 1]" 1 842 1 71 TYR QB 1 76 ALA H 3.045 . 4.290 2.927 2.523 3.191 . 0 0 "[ . 1]" 1 843 1 71 TYR QB 1 76 ALA MB 2.645 . 3.490 2.380 2.010 2.881 . 0 0 "[ . 1]" 1 844 1 71 TYR QD 1 79 LEU MD1 3.620 . 5.440 3.905 3.493 4.169 . 0 0 "[ . 1]" 1 845 1 72 SER H 1 75 ASN H 3.650 . 5.500 3.758 3.291 4.274 . 0 0 "[ . 1]" 1 846 1 72 SER H 1 76 ALA H 3.550 . 5.300 4.067 3.655 4.484 . 0 0 "[ . 1]" 1 847 1 72 SER HA 1 76 ALA H 3.650 . 5.500 5.173 4.899 5.536 0.036 5 0 "[ . 1]" 1 848 1 72 SER H 1 76 ALA MB 3.400 . 5.000 4.658 4.281 5.021 0.021 4 0 "[ . 1]" 1 849 1 72 SER H 1 72 SER QB 2.155 . 2.510 2.298 2.229 2.380 . 0 0 "[ . 1]" 1 850 1 72 SER H 1 75 ASN QB 3.445 . 5.090 2.578 1.997 3.512 . 0 0 "[ . 1]" 1 851 1 72 SER QB 1 75 ASN H 3.180 . 4.560 2.851 2.577 3.039 . 0 0 "[ . 1]" 1 852 1 73 ARG QB 1 74 HIS H 2.645 . 3.490 2.786 2.354 3.572 0.082 5 0 "[ . 1]" 1 853 1 74 HIS H 1 74 HIS HB2 2.725 . 3.650 2.560 2.326 2.758 . 0 0 "[ . 1]" 1 854 1 74 HIS H 1 75 ASN H 2.825 . 3.850 2.529 2.270 3.078 . 0 0 "[ . 1]" 1 855 1 74 HIS H 1 76 ALA MB 3.650 . 5.500 4.811 4.457 5.058 . 0 0 "[ . 1]" 1 856 1 74 HIS HA 1 76 ALA H 3.650 . 5.500 4.478 4.125 4.991 . 0 0 "[ . 1]" 1 857 1 74 HIS H 1 74 HIS HB3 2.725 . 3.650 2.957 2.298 3.700 0.050 9 0 "[ . 1]" 1 858 1 74 HIS HA 1 77 GLU H 3.205 . 4.610 3.415 2.982 4.254 . 0 0 "[ . 1]" 1 859 1 74 HIS H 1 76 ALA H 3.105 . 4.410 4.138 3.958 4.310 . 0 0 "[ . 1]" 1 860 1 74 HIS H 1 74 HIS HD2 3.475 . 5.150 4.623 3.552 5.209 0.059 6 0 "[ . 1]" 1 861 1 74 HIS QB 1 75 ASN H 2.820 . 3.840 2.908 2.304 3.315 . 0 0 "[ . 1]" 1 862 1 74 HIS QB 1 76 ALA H 3.570 . 5.340 4.900 4.443 5.097 . 0 0 "[ . 1]" 1 863 1 75 ASN HA 1 78 ARG QB 2.860 . 3.920 2.593 2.053 3.209 . 0 0 "[ . 1]" 1 864 1 75 ASN H 1 78 ARG QB 3.620 . 5.440 4.856 4.366 5.422 . 0 0 "[ . 1]" 1 865 1 75 ASN HB3 1 76 ALA H 3.235 . 4.670 3.616 3.436 3.903 . 0 0 "[ . 1]" 1 866 1 75 ASN H 1 75 ASN HB3 3.000 . 4.200 3.633 3.559 3.731 . 0 0 "[ . 1]" 1 867 1 75 ASN H 1 76 ALA H 2.775 . 3.750 2.437 2.241 2.773 . 0 0 "[ . 1]" 1 868 1 75 ASN HB2 1 76 ALA H 3.235 . 4.670 2.596 2.119 3.495 . 0 0 "[ . 1]" 1 869 1 75 ASN H 1 75 ASN HB2 3.000 . 4.200 2.524 2.372 2.757 . 0 0 "[ . 1]" 1 870 1 75 ASN H 1 75 ASN QB 2.580 . 3.360 2.479 2.342 2.688 . 0 0 "[ . 1]" 1 871 1 75 ASN QB 1 76 ALA H 2.845 . 3.890 2.526 2.101 3.215 . 0 0 "[ . 1]" 1 872 1 75 ASN HA 1 78 ARG H 3.650 . 5.500 3.206 2.661 3.745 . 0 0 "[ . 1]" 1 873 1 76 ALA MB 1 77 GLU QG 2.940 . 4.080 3.441 3.155 4.112 0.032 2 0 "[ . 1]" 1 874 1 76 ALA HA 1 79 LEU HB2 3.395 . 4.990 3.045 2.651 3.511 . 0 0 "[ . 1]" 1 875 1 76 ALA HA 1 79 LEU H 2.815 . 3.830 3.441 3.203 3.743 . 0 0 "[ . 1]" 1 876 1 76 ALA H 1 76 ALA MB 2.595 . 3.390 2.206 2.180 2.228 . 0 0 "[ . 1]" 1 877 1 76 ALA H 1 77 GLU H 2.850 . 3.900 2.701 2.547 2.836 . 0 0 "[ . 1]" 1 878 1 76 ALA MB 1 77 GLU H 2.705 . 3.610 2.465 2.323 2.559 . 0 0 "[ . 1]" 1 879 1 76 ALA MB 1 78 ARG H 3.145 . 4.490 4.353 4.167 4.446 . 0 0 "[ . 1]" 1 880 1 76 ALA H 1 78 ARG H 3.520 . 5.240 3.947 3.715 4.123 . 0 0 "[ . 1]" 1 881 1 76 ALA MB 1 80 PHE QE 3.315 . 4.830 2.662 2.205 2.938 . 0 0 "[ . 1]" 1 882 1 76 ALA MB 1 80 PHE QD 3.650 . 5.500 3.344 2.792 3.655 . 0 0 "[ . 1]" 1 883 1 76 ALA MB 1 80 PHE HZ 3.650 . 5.500 4.665 4.049 5.034 . 0 0 "[ . 1]" 1 884 1 76 ALA HA 1 79 LEU MD1 2.910 . 4.020 3.380 2.896 4.025 0.005 8 0 "[ . 1]" 1 885 1 77 GLU HA 1 77 GLU QG 2.715 . 3.630 2.499 2.168 3.426 . 0 0 "[ . 1]" 1 886 1 77 GLU HB2 1 77 GLU QG 2.285 . 2.770 2.351 2.230 2.478 . 0 0 "[ . 1]" 1 887 1 77 GLU HB3 1 77 GLU QG 2.285 . 2.770 2.311 2.128 2.421 . 0 0 "[ . 1]" 1 888 1 77 GLU HA 1 80 PHE QD 2.895 . 3.990 2.690 2.155 3.221 . 0 0 "[ . 1]" 1 889 1 77 GLU HA 1 80 PHE HB2 2.815 . 3.830 2.906 2.393 3.405 . 0 0 "[ . 1]" 1 890 1 77 GLU HA 1 80 PHE H 2.920 . 4.040 3.420 2.891 3.781 . 0 0 "[ . 1]" 1 891 1 77 GLU H 1 77 GLU HB2 2.895 . 3.990 2.605 2.402 3.623 . 0 0 "[ . 1]" 1 892 1 77 GLU H 1 77 GLU QG 2.780 . 3.760 2.305 2.092 2.676 . 0 0 "[ . 1]" 1 893 1 77 GLU H 1 78 ARG H 2.780 . 3.760 2.688 2.449 2.788 . 0 0 "[ . 1]" 1 894 1 77 GLU QG 1 78 ARG H 3.375 . 4.950 4.043 2.509 4.488 . 0 0 "[ . 1]" 1 895 1 77 GLU H 1 77 GLU HB3 2.895 . 3.990 3.510 2.547 3.683 . 0 0 "[ . 1]" 1 896 1 77 GLU H 1 79 LEU H 3.275 . 4.750 4.073 3.909 4.173 . 0 0 "[ . 1]" 1 897 1 77 GLU H 1 77 GLU QB 2.585 . 3.370 2.455 2.368 2.543 . 0 0 "[ . 1]" 1 898 1 77 GLU QB 1 77 GLU QG 2.050 . 2.300 2.069 2.012 2.084 . 0 0 "[ . 1]" 1 899 1 77 GLU QB 1 78 ARG H 2.650 . 3.500 2.880 2.495 3.631 0.131 2 0 "[ . 1]" 1 900 1 78 ARG QB 1 79 LEU HA 3.060 . 4.320 3.987 3.538 4.253 . 0 0 "[ . 1]" 1 901 1 78 ARG QB 1 80 PHE H 3.650 . 5.500 4.959 4.760 5.082 . 0 0 "[ . 1]" 1 902 1 78 ARG QG 1 79 LEU H 3.185 . 4.570 4.047 3.552 4.439 . 0 0 "[ . 1]" 1 903 1 78 ARG H 1 78 ARG QB 2.550 . 3.300 2.339 2.198 2.695 . 0 0 "[ . 1]" 1 904 1 78 ARG H 1 78 ARG QG 2.890 . 3.980 3.257 2.055 4.007 0.027 9 0 "[ . 1]" 1 905 1 78 ARG H 1 80 PHE HB2 3.630 . 5.460 5.375 5.090 5.511 0.051 5 0 "[ . 1]" 1 906 1 78 ARG H 1 79 LEU HB2 3.650 . 5.500 4.306 4.131 4.453 . 0 0 "[ . 1]" 1 907 1 78 ARG H 1 79 LEU H 2.850 . 3.900 2.389 2.203 2.518 . 0 0 "[ . 1]" 1 908 1 78 ARG QB 1 79 LEU H 2.820 . 3.840 2.803 2.548 3.069 . 0 0 "[ . 1]" 1 909 1 78 ARG H 1 79 LEU MD1 3.620 . 5.440 5.572 5.513 5.650 0.210 8 0 "[ . 1]" 1 910 1 78 ARG QB 1 79 LEU MD1 3.620 . 5.440 5.056 4.570 5.438 . 0 0 "[ . 1]" 1 911 1 78 ARG HA 1 81 LYS H 2.920 . 4.040 3.524 3.045 3.897 . 0 0 "[ . 1]" 1 912 1 79 LEU HA 1 82 LYS QB 3.150 . 4.500 2.528 2.162 3.378 . 0 0 "[ . 1]" 1 913 1 79 LEU HA 1 123 PHE QD 3.050 . 4.300 3.049 2.795 3.338 . 0 0 "[ . 1]" 1 914 1 79 LEU HA 1 79 LEU MD1 3.275 . 3.570 3.373 2.093 3.593 0.023 3 0 "[ . 1]" 1 915 1 79 LEU MD1 1 80 PHE H 3.635 . 4.500 4.086 4.011 4.219 . 0 0 "[ . 1]" 1 916 1 79 LEU HB3 1 79 LEU MD1 2.795 . 3.790 2.182 2.058 3.027 . 0 0 "[ . 1]" 1 917 1 79 LEU H 1 79 LEU MD2 3.330 . 4.860 4.223 4.121 4.278 . 0 0 "[ . 1]" 1 918 1 79 LEU HA 1 79 LEU MD2 3.275 . 4.750 2.764 1.995 3.812 . 0 0 "[ . 1]" 1 919 1 79 LEU HB3 1 79 LEU MD2 2.795 . 3.790 2.347 2.132 2.486 . 0 0 "[ . 1]" 1 920 1 79 LEU MD1 1 83 LEU H 3.650 . 5.500 5.479 4.862 5.579 0.079 1 0 "[ . 1]" 1 921 1 79 LEU MD2 1 83 LEU H 3.650 . 5.500 3.418 3.115 5.484 . 0 0 "[ . 1]" 1 922 1 79 LEU HB2 1 80 PHE H 2.975 . 4.150 3.387 3.025 3.609 . 0 0 "[ . 1]" 1 923 1 79 LEU H 1 80 PHE HB2 3.275 . 4.750 4.593 4.383 4.770 0.020 8 0 "[ . 1]" 1 924 1 79 LEU H 1 79 LEU HB3 2.670 . 3.540 2.677 2.459 3.015 . 0 0 "[ . 1]" 1 925 1 79 LEU H 1 79 LEU MD1 3.330 . 3.850 3.855 3.787 3.893 0.043 8 0 "[ . 1]" 1 926 1 79 LEU MD2 1 80 PHE H 3.635 . 5.470 3.568 3.246 4.015 . 0 0 "[ . 1]" 1 927 1 79 LEU H 1 80 PHE QD 3.035 . 4.270 4.203 3.944 4.320 0.050 5 0 "[ . 1]" 1 928 1 79 LEU H 1 80 PHE H 2.835 . 3.870 2.532 2.390 2.770 . 0 0 "[ . 1]" 1 929 1 79 LEU MD1 1 82 LYS H 3.650 . 5.500 5.547 4.813 5.678 0.178 5 0 "[ . 1]" 1 930 1 79 LEU MD2 1 82 LYS H 3.650 . 5.500 4.067 3.650 5.698 0.198 8 0 "[ . 1]" 1 931 1 79 LEU HB2 1 81 LYS H 3.650 . 5.500 4.925 4.695 5.304 . 0 0 "[ . 1]" 1 932 1 79 LEU HG 1 81 LYS H 3.650 . 5.500 5.598 5.082 5.736 0.236 9 0 "[ . 1]" 1 933 1 79 LEU H 1 79 LEU HB2 2.710 . 3.620 2.217 2.013 2.423 . 0 0 "[ . 1]" 1 934 1 79 LEU HA 1 82 LYS H 3.055 . 4.310 2.966 2.818 3.477 . 0 0 "[ . 1]" 1 935 1 79 LEU HB3 1 80 PHE H 2.450 . 3.100 2.275 1.941 2.383 . 0 0 "[ . 1]" 1 936 1 79 LEU HB3 1 80 PHE QD 3.650 . 5.500 3.621 3.207 3.963 . 0 0 "[ . 1]" 1 937 1 79 LEU HB3 1 83 LEU MD1 3.510 . 5.220 3.921 3.667 4.169 . 0 0 "[ . 1]" 1 938 1 79 LEU MD1 1 80 PHE HA 3.515 . 5.230 4.929 4.732 5.110 . 0 0 "[ . 1]" 1 939 1 79 LEU MD1 1 80 PHE QE 3.620 . 5.440 4.741 4.361 5.384 . 0 0 "[ . 1]" 1 940 1 79 LEU MD1 1 80 PHE QD 3.540 . 5.280 4.693 4.341 5.200 . 0 0 "[ . 1]" 1 941 1 79 LEU MD1 1 81 LYS H 3.620 . 5.440 5.622 5.513 5.708 0.268 4 0 "[ . 1]" 1 942 1 79 LEU MD1 1 82 LYS QB 3.250 . 4.700 4.592 4.013 4.794 0.094 9 0 "[ . 1]" 1 943 1 79 LEU MD1 1 83 LEU HG 3.575 . 5.350 4.675 4.418 5.492 0.142 9 0 "[ . 1]" 1 944 1 79 LEU MD1 1 83 LEU MD1 2.720 . 3.640 3.600 2.847 3.795 0.155 1 0 "[ . 1]" 1 945 1 79 LEU MD2 1 121 VAL MG2 3.285 . 4.770 3.460 2.541 4.819 0.049 8 0 "[ . 1]" 1 946 1 79 LEU MD2 1 123 PHE QB 2.810 . 3.820 3.616 2.731 3.999 0.179 8 0 "[ . 1]" 1 947 1 79 LEU MD1 1 123 PHE QD 2.870 . 3.940 3.104 2.607 3.676 . 0 0 "[ . 1]" 1 948 1 79 LEU MD1 1 124 MET H 3.620 . 5.440 5.422 5.038 5.548 0.108 10 0 "[ . 1]" 1 949 1 80 PHE QD 1 89 LEU HG 3.465 . 5.130 3.423 2.048 4.730 . 0 0 "[ . 1]" 1 950 1 80 PHE HA 1 83 LEU MD1 3.135 . 3.780 2.201 1.849 3.821 0.041 9 0 "[ . 1]" 1 951 1 80 PHE HA 1 83 LEU HB2 2.915 . 4.030 2.427 2.155 2.608 . 0 0 "[ . 1]" 1 952 1 80 PHE HA 1 83 LEU HG 3.200 . 4.600 3.383 2.660 4.690 0.090 8 0 "[ . 1]" 1 953 1 80 PHE HA 1 83 LEU H 2.775 . 3.750 3.291 3.142 3.481 . 0 0 "[ . 1]" 1 954 1 80 PHE HA 1 89 LEU HG 3.245 . 4.690 4.125 3.204 4.697 0.007 7 0 "[ . 1]" 1 955 1 80 PHE HA 1 80 PHE QD 3.360 . 4.920 2.796 2.513 3.038 . 0 0 "[ . 1]" 1 956 1 80 PHE HA 1 83 LEU MD2 3.135 . 4.470 4.021 2.337 4.496 0.026 5 0 "[ . 1]" 1 957 1 80 PHE H 1 80 PHE HB2 2.505 . 3.210 2.428 2.381 2.485 . 0 0 "[ . 1]" 1 958 1 80 PHE H 1 82 LYS QB 3.650 . 5.500 4.920 4.676 5.405 . 0 0 "[ . 1]" 1 959 1 80 PHE H 1 83 LEU HB2 3.650 . 5.500 5.001 4.361 5.167 . 0 0 "[ . 1]" 1 960 1 80 PHE H 1 81 LYS H 2.725 . 3.650 2.495 2.440 2.616 . 0 0 "[ . 1]" 1 961 1 80 PHE QD 1 81 LYS H 3.480 . 5.160 4.411 4.267 4.526 . 0 0 "[ . 1]" 1 962 1 80 PHE H 1 80 PHE QD 2.800 . 3.800 2.538 2.236 2.760 . 0 0 "[ . 1]" 1 963 1 80 PHE HB2 1 81 LYS H 2.805 . 3.810 3.100 2.884 3.234 . 0 0 "[ . 1]" 1 964 1 80 PHE HB2 1 82 LYS H 3.515 . 5.230 5.167 5.067 5.272 0.042 9 0 "[ . 1]" 1 965 1 80 PHE H 1 80 PHE QE 3.650 . 5.500 4.447 4.272 4.576 . 0 0 "[ . 1]" 1 966 1 80 PHE QD 1 83 LEU MD2 3.550 . 5.300 4.883 2.911 5.340 0.040 1 0 "[ . 1]" 1 967 1 81 LYS H 1 81 LYS QB 2.250 . 2.700 2.495 2.317 2.664 . 0 0 "[ . 1]" 1 968 1 81 LYS QB 1 82 LYS H 2.440 . 3.080 3.039 2.937 3.107 0.027 10 0 "[ . 1]" 1 969 1 81 LYS HA 1 84 ILE MD 3.310 . 4.820 3.167 2.890 3.418 . 0 0 "[ . 1]" 1 970 1 81 LYS HA 1 84 ILE MG 2.805 . 3.810 3.356 3.125 3.760 . 0 0 "[ . 1]" 1 971 1 81 LYS HA 1 83 LEU H 3.595 . 5.390 4.243 4.100 4.394 . 0 0 "[ . 1]" 1 972 1 81 LYS HA 1 81 LYS HG2 2.705 . 3.610 2.691 2.353 3.209 . 0 0 "[ . 1]" 1 973 1 81 LYS HA 1 81 LYS QD 2.915 . 4.030 2.952 1.882 4.043 0.013 1 0 "[ . 1]" 1 974 1 81 LYS HA 1 84 ILE HB 3.650 . 5.500 4.767 4.547 4.942 . 0 0 "[ . 1]" 1 975 1 81 LYS HA 1 81 LYS HG3 2.705 . 3.610 3.342 2.728 3.699 0.089 7 0 "[ . 1]" 1 976 1 81 LYS HA 1 81 LYS QB 2.190 . 2.580 2.417 2.346 2.497 . 0 0 "[ . 1]" 1 977 1 81 LYS H 1 81 LYS HG2 2.955 . 4.110 3.322 2.568 4.127 0.017 2 0 "[ . 1]" 1 978 1 81 LYS H 1 84 ILE H 3.650 . 5.500 4.579 4.448 4.777 . 0 0 "[ . 1]" 1 979 1 81 LYS H 1 82 LYS H 2.740 . 3.680 2.298 2.161 2.620 . 0 0 "[ . 1]" 1 980 1 81 LYS HA 1 84 ILE H 3.070 . 4.340 3.073 2.883 3.330 . 0 0 "[ . 1]" 1 981 1 81 LYS H 1 81 LYS HG3 2.955 . 4.110 3.543 2.715 4.143 0.033 9 0 "[ . 1]" 1 982 1 81 LYS H 1 81 LYS QG 2.560 . 3.320 2.797 2.540 3.178 . 0 0 "[ . 1]" 1 983 1 81 LYS H 1 83 LEU MD1 3.620 . 5.440 4.781 4.453 5.121 . 0 0 "[ . 1]" 1 984 1 81 LYS HA 1 81 LYS QG 2.380 . 2.960 2.570 2.237 3.025 0.065 7 0 "[ . 1]" 1 985 1 82 LYS HA 1 82 LYS QD 3.365 . 4.930 3.157 2.139 4.094 . 0 0 "[ . 1]" 1 986 1 82 LYS QB 1 82 LYS QD 2.495 . 3.190 2.262 2.100 2.416 . 0 0 "[ . 1]" 1 987 1 82 LYS H 1 82 LYS QB 2.345 . 2.890 2.233 2.108 2.415 . 0 0 "[ . 1]" 1 988 1 82 LYS QD 1 123 PHE QD 3.255 . 4.710 3.753 3.196 4.622 . 0 0 "[ . 1]" 1 989 1 82 LYS H 1 82 LYS HG2 3.345 . 4.890 4.486 4.271 4.596 . 0 0 "[ . 1]" 1 990 1 82 LYS HA 1 85 LEU H 2.835 . 3.870 3.393 3.009 3.555 . 0 0 "[ . 1]" 1 991 1 82 LYS H 1 83 LEU MD2 3.650 . 5.500 5.094 4.822 5.535 0.035 8 0 "[ . 1]" 1 992 1 82 LYS H 1 84 ILE H 3.525 . 5.250 3.950 3.828 4.137 . 0 0 "[ . 1]" 1 993 1 82 LYS H 1 123 PHE QD 3.650 . 5.500 5.307 4.999 5.595 0.095 9 0 "[ . 1]" 1 994 1 82 LYS H 1 82 LYS HG3 3.345 . 4.890 4.411 4.202 4.550 . 0 0 "[ . 1]" 1 995 1 82 LYS H 1 82 LYS QD 3.495 . 5.190 4.394 4.160 4.782 . 0 0 "[ . 1]" 1 996 1 82 LYS H 1 83 LEU MD1 3.650 . 4.720 4.601 3.475 4.825 0.105 6 0 "[ . 1]" 1 997 1 82 LYS QB 1 123 PHE QD 3.160 . 4.520 3.426 2.827 4.102 . 0 0 "[ . 1]" 1 998 1 82 LYS HA 1 82 LYS QG 2.570 . 3.340 2.751 2.278 3.232 . 0 0 "[ . 1]" 1 999 1 82 LYS HA 1 82 LYS QE 3.570 . 5.340 4.577 4.188 5.115 . 0 0 "[ . 1]" 1 1000 1 82 LYS QB 1 82 LYS QE 2.940 . 4.080 3.337 2.103 3.657 . 0 0 "[ . 1]" 1 1001 1 82 LYS QB 1 121 VAL MG2 3.175 . 4.550 4.250 3.768 4.561 0.011 9 0 "[ . 1]" 1 1002 1 82 LYS QG 1 83 LEU H 2.945 . 4.090 3.592 3.212 4.098 0.008 8 0 "[ . 1]" 1 1003 1 82 LYS QG 1 83 LEU HA 3.035 . 4.270 3.796 3.449 4.300 0.030 9 0 "[ . 1]" 1 1004 1 82 LYS QE 1 121 VAL HA 3.570 . 5.340 4.532 3.399 5.368 0.028 1 0 "[ . 1]" 1 1005 1 82 LYS QE 1 121 VAL MG2 2.825 . 3.850 3.425 2.378 3.925 0.075 5 0 "[ . 1]" 1 1006 1 82 LYS QE 1 123 PHE QD 3.570 . 5.340 4.392 3.571 5.380 0.040 6 0 "[ . 1]" 1 1007 1 83 LEU HB2 1 89 LEU HG 2.895 . 3.990 3.158 2.518 3.873 . 0 0 "[ . 1]" 1 1008 1 83 LEU HA 1 83 LEU MD2 3.215 . 4.630 2.310 1.911 3.803 . 0 0 "[ . 1]" 1 1009 1 83 LEU HA 1 88 ILE MD 3.005 . 4.210 3.280 2.053 3.672 . 0 0 "[ . 1]" 1 1010 1 83 LEU HA 1 86 ASP QB 2.910 . 4.020 2.713 2.381 3.241 . 0 0 "[ . 1]" 1 1011 1 83 LEU HB2 1 89 LEU QD 3.435 . 5.070 2.794 2.024 3.273 . 0 0 "[ . 1]" 1 1012 1 83 LEU HA 1 83 LEU MD1 3.215 . 3.440 3.412 1.929 3.689 0.249 1 0 "[ . 1]" 1 1013 1 83 LEU HB3 1 88 ILE HB 3.340 . 4.880 2.899 2.461 3.793 . 0 0 "[ . 1]" 1 1014 1 83 LEU HB3 1 89 LEU HG 3.190 . 4.580 2.825 1.841 3.760 . 0 0 "[ . 1]" 1 1015 1 83 LEU H 1 83 LEU HG 3.205 . 4.610 2.482 2.023 4.339 . 0 0 "[ . 1]" 1 1016 1 83 LEU HB2 1 88 ILE MG 3.650 . 5.500 4.497 4.163 4.907 . 0 0 "[ . 1]" 1 1017 1 83 LEU HG 1 88 ILE MG 3.650 . 5.500 4.313 2.599 4.911 . 0 0 "[ . 1]" 1 1018 1 83 LEU HG 1 89 LEU QD 2.970 . 4.140 3.926 3.196 4.092 . 0 0 "[ . 1]" 1 1019 1 83 LEU HB2 1 84 ILE H 3.650 . 5.500 2.768 2.382 3.072 . 0 0 "[ . 1]" 1 1020 1 83 LEU H 1 84 ILE MG 3.650 . 5.500 4.563 4.293 4.697 . 0 0 "[ . 1]" 1 1021 1 83 LEU H 1 83 LEU HB2 2.570 . 3.340 2.406 1.992 2.525 . 0 0 "[ . 1]" 1 1022 1 83 LEU H 1 83 LEU MD1 3.030 . 3.540 3.197 2.123 3.492 . 0 0 "[ . 1]" 1 1023 1 83 LEU HA 1 85 LEU H 3.085 . 4.370 4.248 4.162 4.386 0.016 10 0 "[ . 1]" 1 1024 1 83 LEU H 1 83 LEU MD2 3.030 . 4.260 3.362 3.100 4.037 . 0 0 "[ . 1]" 1 1025 1 83 LEU HA 1 89 LEU H 3.420 . 5.040 3.674 3.392 3.951 . 0 0 "[ . 1]" 1 1026 1 83 LEU HB2 1 89 LEU H 3.650 . 5.500 4.164 3.913 4.964 . 0 0 "[ . 1]" 1 1027 1 83 LEU HG 1 89 LEU H 3.650 . 5.500 5.335 4.086 5.603 0.103 2 0 "[ . 1]" 1 1028 1 83 LEU H 1 84 ILE H 2.830 . 3.860 2.886 2.811 2.947 . 0 0 "[ . 1]" 1 1029 1 83 LEU H 1 85 LEU H 3.155 . 4.510 4.123 4.018 4.235 . 0 0 "[ . 1]" 1 1030 1 83 LEU HA 1 86 ASP H 3.055 . 4.310 3.489 3.279 3.773 . 0 0 "[ . 1]" 1 1031 1 83 LEU HB3 1 89 LEU QB 3.570 . 5.340 2.316 1.964 2.935 . 0 0 "[ . 1]" 1 1032 1 83 LEU MD1 1 84 ILE H 3.340 . 4.880 4.463 4.220 4.572 . 0 0 "[ . 1]" 1 1033 1 83 LEU MD1 1 88 ILE HB 3.620 . 5.440 3.993 3.383 4.292 . 0 0 "[ . 1]" 1 1034 1 83 LEU MD1 1 89 LEU H 3.620 . 5.440 4.617 4.410 5.274 . 0 0 "[ . 1]" 1 1035 1 83 LEU MD2 1 89 LEU QB 3.540 . 5.280 4.052 3.766 4.653 . 0 0 "[ . 1]" 1 1036 1 83 LEU MD1 1 89 LEU HG 2.775 . 3.750 3.105 2.638 3.923 0.173 9 0 "[ . 1]" 1 1037 1 83 LEU MD2 1 89 LEU QD 2.835 . 3.870 2.677 1.965 3.725 . 0 0 "[ . 1]" 1 1038 1 84 ILE MG 1 85 LEU H 3.205 . 4.610 4.136 4.021 4.191 . 0 0 "[ . 1]" 1 1039 1 84 ILE HA 1 84 ILE HB 2.195 . 2.590 2.450 2.412 2.480 . 0 0 "[ . 1]" 1 1040 1 84 ILE HA 1 84 ILE MD 2.790 . 3.780 3.704 3.679 3.733 . 0 0 "[ . 1]" 1 1041 1 84 ILE H 1 84 ILE MD 3.040 . 4.280 3.525 3.379 3.603 . 0 0 "[ . 1]" 1 1042 1 84 ILE HA 1 84 ILE MG 2.685 . 3.570 2.352 2.296 2.391 . 0 0 "[ . 1]" 1 1043 1 84 ILE HG13 1 84 ILE MG 2.665 . 3.530 2.636 2.586 2.708 . 0 0 "[ . 1]" 1 1044 1 84 ILE HB 1 84 ILE MD 2.340 . 2.880 2.342 2.308 2.362 . 0 0 "[ . 1]" 1 1045 1 84 ILE HB 1 85 LEU H 3.095 . 4.390 4.056 3.928 4.143 . 0 0 "[ . 1]" 1 1046 1 84 ILE MD 1 85 LEU HG 2.855 . 3.910 2.594 1.946 3.877 . 0 0 "[ . 1]" 1 1047 1 84 ILE MD 1 84 ILE MG 2.515 . 3.230 3.171 3.137 3.198 . 0 0 "[ . 1]" 1 1048 1 84 ILE HG12 1 84 ILE MG 2.665 . 3.530 2.134 2.075 2.176 . 0 0 "[ . 1]" 1 1049 1 84 ILE MD 1 85 LEU H 3.535 . 5.270 2.629 2.522 2.777 . 0 0 "[ . 1]" 1 1050 1 84 ILE H 1 84 ILE HB 2.730 . 3.660 3.694 3.673 3.705 0.045 8 0 "[ . 1]" 1 1051 1 84 ILE MG 1 91 GLU H 3.165 . 4.530 2.827 2.354 3.369 . 0 0 "[ . 1]" 1 1052 1 84 ILE H 1 84 ILE MG 2.595 . 3.390 2.416 2.316 2.497 . 0 0 "[ . 1]" 1 1053 1 84 ILE H 1 86 ASP H 3.215 . 4.630 4.160 4.020 4.304 . 0 0 "[ . 1]" 1 1054 1 84 ILE H 1 85 LEU H 2.790 . 3.780 2.516 2.390 2.597 . 0 0 "[ . 1]" 1 1055 1 84 ILE HA 1 89 LEU H 2.960 . 4.120 3.011 2.910 3.156 . 0 0 "[ . 1]" 1 1056 1 84 ILE H 1 84 ILE QG 2.475 . 3.150 2.103 2.003 2.183 . 0 0 "[ . 1]" 1 1057 1 84 ILE HA 1 89 LEU QB 3.395 . 4.990 2.681 2.430 2.961 . 0 0 "[ . 1]" 1 1058 1 84 ILE MG 1 91 GLU QG 2.775 . 3.750 2.243 1.854 3.740 . 0 0 "[ . 1]" 1 1059 1 84 ILE QG 1 85 LEU H 2.660 . 3.520 2.764 2.553 2.939 . 0 0 "[ . 1]" 1 1060 1 84 ILE QG 1 89 LEU QB 3.490 . 5.180 4.161 4.051 4.317 . 0 0 "[ . 1]" 1 1061 1 84 ILE HA 1 87 LYS H 3.650 . 5.500 3.229 3.119 3.344 . 0 0 "[ . 1]" 1 1062 1 85 LEU HA 1 85 LEU HG 2.100 . 2.400 2.517 2.425 2.559 0.159 1 0 "[ . 1]" 1 1063 1 85 LEU H 1 85 LEU HG 2.955 . 4.110 3.066 2.491 4.205 0.095 2 0 "[ . 1]" 1 1064 1 85 LEU HB3 1 86 ASP H 3.050 . 4.300 3.072 2.312 3.497 . 0 0 "[ . 1]" 1 1065 1 85 LEU HG 1 86 ASP H 3.565 . 5.330 4.527 4.346 4.822 . 0 0 "[ . 1]" 1 1066 1 85 LEU H 1 86 ASP H 2.715 . 3.630 2.514 2.450 2.609 . 0 0 "[ . 1]" 1 1067 1 85 LEU HB2 1 86 ASP H 3.050 . 4.300 2.848 2.463 3.561 . 0 0 "[ . 1]" 1 1068 1 85 LEU H 1 85 LEU QB 2.260 . 2.720 2.225 2.090 2.292 . 0 0 "[ . 1]" 1 1069 1 85 LEU HA 1 85 LEU QD 2.395 . 2.990 2.245 2.002 2.767 . 0 0 "[ . 1]" 1 1070 1 85 LEU QB 1 86 ASP H 2.620 . 3.440 2.441 2.280 2.676 . 0 0 "[ . 1]" 1 1071 1 86 ASP QB 1 88 ILE MD 2.915 . 4.030 1.913 1.823 2.132 . 0 0 "[ . 1]" 1 1072 1 86 ASP H 1 88 ILE MD 3.650 . 5.500 4.222 3.817 4.430 . 0 0 "[ . 1]" 1 1073 1 86 ASP H 1 86 ASP QB 2.290 . 2.780 2.464 2.304 2.594 . 0 0 "[ . 1]" 1 1074 1 86 ASP H 1 87 LYS H 2.725 . 3.650 2.529 2.435 2.586 . 0 0 "[ . 1]" 1 1075 1 86 ASP QB 1 87 LYS H 2.815 . 3.830 2.793 2.527 3.195 . 0 0 "[ . 1]" 1 1076 1 86 ASP QB 1 88 ILE H 3.000 . 4.200 2.773 2.475 3.229 . 0 0 "[ . 1]" 1 1077 1 86 ASP H 1 89 LEU H 3.475 . 5.150 5.090 4.930 5.192 0.042 8 0 "[ . 1]" 1 1078 1 86 ASP H 1 88 ILE H 3.220 . 4.640 4.125 3.972 4.217 . 0 0 "[ . 1]" 1 1079 1 86 ASP H 1 87 LYS HA 3.235 . 4.670 4.636 4.430 4.718 0.048 4 0 "[ . 1]" 1 1080 1 87 LYS H 1 88 ILE HA 3.345 . 4.890 4.905 4.890 4.921 0.031 10 0 "[ . 1]" 1 1081 1 87 LYS QB 1 110 LYS HG2 2.845 . 3.890 2.535 1.920 3.816 . 0 0 "[ . 1]" 1 1082 1 87 LYS QB 1 110 LYS HG3 3.005 . 4.210 3.164 2.385 3.726 . 0 0 "[ . 1]" 1 1083 1 87 LYS QB 1 88 ILE HB 3.615 . 5.430 5.466 5.436 5.515 0.085 8 0 "[ . 1]" 1 1084 1 87 LYS QB 1 110 LYS HB3 3.210 . 4.620 4.669 4.438 4.763 0.143 5 0 "[ . 1]" 1 1085 1 87 LYS H 1 87 LYS HG2 3.510 . 5.220 4.637 3.576 5.258 0.038 4 0 "[ . 1]" 1 1086 1 87 LYS H 1 87 LYS HG3 3.170 . 4.540 3.932 3.116 4.444 . 0 0 "[ . 1]" 1 1087 1 87 LYS H 1 88 ILE MD 3.650 . 5.500 3.543 3.336 3.802 . 0 0 "[ . 1]" 1 1088 1 87 LYS QB 1 110 LYS QE 3.500 . 5.200 3.654 2.222 4.956 . 0 0 "[ . 1]" 1 1089 1 87 LYS HA 1 87 LYS HG3 2.325 . 2.850 2.370 2.129 2.852 0.002 6 0 "[ . 1]" 1 1090 1 87 LYS HA 1 87 LYS HG2 2.520 . 3.240 3.052 2.138 3.488 0.248 4 0 "[ . 1]" 1 1091 1 87 LYS H 1 110 LYS HB2 3.650 . 5.500 5.104 4.712 5.508 0.008 9 0 "[ . 1]" 1 1092 1 87 LYS H 1 89 LEU H 2.995 . 4.190 3.254 3.126 3.377 . 0 0 "[ . 1]" 1 1093 1 87 LYS HA 1 89 LEU H 3.000 . 4.200 3.201 2.640 3.493 . 0 0 "[ . 1]" 1 1094 1 87 LYS H 1 88 ILE H 2.780 . 3.760 2.220 2.167 2.258 . 0 0 "[ . 1]" 1 1095 1 87 LYS H 1 88 ILE HB 2.855 . 3.910 3.999 3.955 4.021 0.111 10 0 "[ . 1]" 1 1096 1 87 LYS HG2 1 109 ASN H 3.145 . 4.490 4.310 3.447 4.570 0.080 5 0 "[ . 1]" 1 1097 1 87 LYS QB 1 109 ASN H 3.265 . 4.730 3.476 2.567 4.807 0.077 4 0 "[ . 1]" 1 1098 1 87 LYS QB 1 88 ILE H 3.275 . 4.750 3.615 3.511 3.708 . 0 0 "[ . 1]" 1 1099 1 87 LYS QB 1 110 LYS H 2.885 . 3.970 2.998 2.654 3.652 . 0 0 "[ . 1]" 1 1100 1 87 LYS H 1 87 LYS QB 2.780 . 3.760 3.270 3.154 3.358 . 0 0 "[ . 1]" 1 1101 1 87 LYS H 1 89 LEU QD 3.480 . 5.160 5.311 5.228 5.376 0.216 7 0 "[ . 1]" 1 1102 1 87 LYS QB 1 109 ASN QD 3.125 . 4.450 3.510 2.042 4.449 . 0 0 "[ . 1]" 1 1103 1 87 LYS HG3 1 109 ASN QD 3.570 . 5.340 4.470 2.651 5.370 0.030 10 0 "[ . 1]" 1 1104 1 88 ILE HA 1 88 ILE MD 2.960 . 4.120 2.906 2.768 3.799 . 0 0 "[ . 1]" 1 1105 1 88 ILE HA 1 88 ILE MG 2.830 . 3.860 2.593 2.422 2.660 . 0 0 "[ . 1]" 1 1106 1 88 ILE HA 1 88 ILE HG13 3.005 . 4.210 2.420 2.369 2.638 . 0 0 "[ . 1]" 1 1107 1 88 ILE HA 1 110 LYS HB2 2.950 . 4.100 2.062 1.872 2.491 . 0 0 "[ . 1]" 1 1108 1 88 ILE HB 1 88 ILE MD 2.585 . 3.370 2.358 2.129 2.402 . 0 0 "[ . 1]" 1 1109 1 88 ILE MG 1 111 ALA HA 2.590 . 3.380 3.203 2.828 3.455 0.075 9 0 "[ . 1]" 1 1110 1 88 ILE MG 1 111 ALA MB 2.925 . 4.050 3.863 3.438 4.126 0.076 1 0 "[ . 1]" 1 1111 1 88 ILE HA 1 111 ALA MB 3.285 . 4.770 3.924 3.606 4.154 . 0 0 "[ . 1]" 1 1112 1 88 ILE HA 1 111 ALA HA 3.110 . 4.420 3.504 3.299 3.731 . 0 0 "[ . 1]" 1 1113 1 88 ILE H 1 88 ILE MG 3.435 . 5.070 3.660 3.623 3.689 . 0 0 "[ . 1]" 1 1114 1 88 ILE MD 1 88 ILE MG 2.990 . 4.180 3.150 2.300 3.254 . 0 0 "[ . 1]" 1 1115 1 88 ILE HG12 1 88 ILE MG 2.410 . 3.020 2.226 2.181 2.253 . 0 0 "[ . 1]" 1 1116 1 88 ILE MG 1 89 LEU H 3.020 . 4.240 3.132 3.011 3.314 . 0 0 "[ . 1]" 1 1117 1 88 ILE MD 1 89 LEU H 3.575 . 5.350 3.912 3.680 4.067 . 0 0 "[ . 1]" 1 1118 1 88 ILE HG13 1 110 LYS HB3 3.115 . 4.430 3.071 2.416 4.040 . 0 0 "[ . 1]" 1 1119 1 88 ILE HG13 1 110 LYS HB2 3.220 . 4.640 2.779 2.299 3.364 . 0 0 "[ . 1]" 1 1120 1 88 ILE MG 1 89 LEU QD 2.195 . 2.590 2.032 1.787 2.592 0.013 2 0 "[ . 1]" 1 1121 1 88 ILE HA 1 110 LYS HB3 2.755 . 3.710 3.382 2.858 3.707 . 0 0 "[ . 1]" 1 1122 1 88 ILE MG 1 89 LEU HG 3.650 . 5.500 3.752 2.223 4.396 . 0 0 "[ . 1]" 1 1123 1 88 ILE H 1 89 LEU H 2.670 . 3.540 2.373 2.277 2.507 . 0 0 "[ . 1]" 1 1124 1 88 ILE H 1 88 ILE HG13 2.730 . 3.660 3.530 2.043 3.707 0.047 1 0 "[ . 1]" 1 1125 1 88 ILE HA 1 110 LYS H 2.965 . 4.130 3.068 2.827 3.260 . 0 0 "[ . 1]" 1 1126 1 88 ILE H 1 110 LYS HG3 3.220 . 4.640 4.170 3.787 4.653 0.013 6 0 "[ . 1]" 1 1127 1 88 ILE HB 1 89 LEU H 2.685 . 3.570 2.532 2.154 2.700 . 0 0 "[ . 1]" 1 1128 1 88 ILE H 1 88 ILE HB 2.625 . 3.450 2.183 2.135 2.223 . 0 0 "[ . 1]" 1 1129 1 88 ILE H 1 88 ILE MD 2.140 . 2.480 2.183 2.054 2.638 0.158 10 0 "[ . 1]" 1 1130 1 88 ILE MG 1 111 ALA H 3.325 . 4.850 4.810 4.414 4.927 0.077 5 0 "[ . 1]" 1 1131 1 88 ILE HA 1 111 ALA H 2.940 . 4.080 3.595 3.137 3.874 . 0 0 "[ . 1]" 1 1132 1 88 ILE H 1 110 LYS H 3.650 . 5.500 4.589 4.516 4.670 . 0 0 "[ . 1]" 1 1133 1 88 ILE MG 1 110 LYS H 3.650 . 5.500 5.077 4.868 5.245 . 0 0 "[ . 1]" 1 1134 1 88 ILE HG13 1 110 LYS H 3.650 . 5.500 4.921 4.605 5.120 . 0 0 "[ . 1]" 1 1135 1 89 LEU HA 1 107 LEU HA 3.090 . 4.380 2.495 2.119 2.852 . 0 0 "[ . 1]" 1 1136 1 89 LEU QD 1 107 LEU HA 2.790 . 3.780 2.720 2.205 2.997 . 0 0 "[ . 1]" 1 1137 1 89 LEU H 1 89 LEU HG 3.650 . 5.500 3.966 2.797 4.509 . 0 0 "[ . 1]" 1 1138 1 89 LEU QD 1 90 ASP QB 3.320 . 4.840 4.582 4.286 4.867 0.027 8 0 "[ . 1]" 1 1139 1 89 LEU HA 1 89 LEU QD 3.650 . 5.500 1.952 1.868 2.046 . 0 0 "[ . 1]" 1 1140 1 89 LEU H 1 89 LEU QD 2.545 . 3.290 2.972 2.766 3.341 0.051 8 0 "[ . 1]" 1 1141 1 89 LEU H 1 90 ASP H 3.185 . 4.570 4.418 4.363 4.481 . 0 0 "[ . 1]" 1 1142 1 89 LEU HB3 1 90 ASP H 3.050 . 4.300 2.748 2.371 3.039 . 0 0 "[ . 1]" 1 1143 1 89 LEU HB2 1 90 ASP H 3.050 . 4.300 3.952 3.501 4.179 . 0 0 "[ . 1]" 1 1144 1 89 LEU QD 1 90 ASP H 2.510 . 3.220 2.867 2.484 3.251 0.031 7 0 "[ . 1]" 1 1145 1 89 LEU QD 1 108 GLY H 3.145 . 4.490 3.879 3.108 4.468 . 0 0 "[ . 1]" 1 1146 1 89 LEU HA 1 90 ASP H 2.515 . 3.230 2.237 2.130 2.335 . 0 0 "[ . 1]" 1 1147 1 89 LEU QD 1 91 GLU H 3.380 . 4.960 5.083 4.975 5.138 0.178 1 0 "[ . 1]" 1 1148 1 89 LEU HA 1 108 GLY H 2.795 . 3.790 3.056 2.311 3.684 . 0 0 "[ . 1]" 1 1149 1 89 LEU HA 1 108 GLY QA 3.570 . 5.340 4.529 3.134 5.428 0.088 1 0 "[ . 1]" 1 1150 1 89 LEU QB 1 90 ASP H 2.650 . 3.500 2.699 2.335 2.970 . 0 0 "[ . 1]" 1 1151 1 89 LEU QB 1 105 VAL MG2 3.465 . 5.130 3.841 3.423 4.119 . 0 0 "[ . 1]" 1 1152 1 89 LEU QD 1 106 MET QB 3.570 . 5.340 4.584 4.394 4.786 . 0 0 "[ . 1]" 1 1153 1 90 ASP QB 1 107 LEU HA 3.475 . 5.150 3.720 2.959 4.459 . 0 0 "[ . 1]" 1 1154 1 90 ASP QB 1 107 LEU QD 3.595 . 5.390 5.165 4.967 5.456 0.066 8 0 "[ . 1]" 1 1155 1 90 ASP QB 1 108 GLY HA2 2.870 . 3.940 3.215 1.919 4.036 0.096 3 0 "[ . 1]" 1 1156 1 90 ASP QB 1 107 LEU H 3.145 . 4.490 4.433 4.104 4.560 0.070 8 0 "[ . 1]" 1 1157 1 90 ASP QB 1 108 GLY HA3 2.870 . 3.940 2.738 2.421 3.025 . 0 0 "[ . 1]" 1 1158 1 90 ASP H 1 90 ASP QB 2.625 . 3.450 2.653 2.581 2.722 . 0 0 "[ . 1]" 1 1159 1 90 ASP H 1 106 MET H 3.125 . 4.450 3.356 2.966 3.615 . 0 0 "[ . 1]" 1 1160 1 90 ASP HA 1 91 GLU H 2.525 . 3.250 2.091 2.011 2.163 . 0 0 "[ . 1]" 1 1161 1 90 ASP QB 1 91 GLU H 2.750 . 3.700 3.452 2.979 3.724 0.024 6 0 "[ . 1]" 1 1162 1 90 ASP QB 1 108 GLY H 3.215 . 4.630 3.214 2.616 3.990 . 0 0 "[ . 1]" 1 1163 1 90 ASP H 1 108 GLY H 3.080 . 4.360 3.526 3.428 3.702 . 0 0 "[ . 1]" 1 1164 1 90 ASP H 1 107 LEU HA 3.185 . 4.570 2.756 1.997 3.265 . 0 0 "[ . 1]" 1 1165 1 90 ASP H 1 91 GLU H 3.420 . 5.040 3.952 3.766 4.163 . 0 0 "[ . 1]" 1 1166 1 90 ASP H 1 105 VAL MG2 3.650 . 5.500 4.938 4.427 5.317 . 0 0 "[ . 1]" 1 1167 1 90 ASP H 1 106 MET QB 3.225 . 4.650 3.801 3.483 4.134 . 0 0 "[ . 1]" 1 1168 1 90 ASP QB 1 108 GLY QA 2.600 . 3.400 2.418 1.869 2.792 . 0 0 "[ . 1]" 1 1169 1 91 GLU HA 1 105 VAL HA 2.920 . 4.040 2.681 2.164 3.379 . 0 0 "[ . 1]" 1 1170 1 91 GLU HA 1 106 MET H 3.110 . 4.420 2.805 2.218 3.661 . 0 0 "[ . 1]" 1 1171 1 91 GLU HA 1 91 GLU HG2 3.025 . 4.250 3.260 2.365 3.826 . 0 0 "[ . 1]" 1 1172 1 91 GLU HA 1 91 GLU HG3 3.025 . 4.250 3.516 2.833 4.279 0.029 1 0 "[ . 1]" 1 1173 1 91 GLU HA 1 105 VAL MG1 3.590 . 5.380 4.397 3.582 5.108 . 0 0 "[ . 1]" 1 1174 1 91 GLU HA 1 105 VAL MG2 3.590 . 4.430 3.713 3.220 3.978 . 0 0 "[ . 1]" 1 1175 1 91 GLU HA 1 92 ASP H 2.625 . 3.450 2.183 2.082 2.337 . 0 0 "[ . 1]" 1 1176 1 91 GLU HA 1 104 TYR H 3.650 . 5.500 4.539 3.849 5.080 . 0 0 "[ . 1]" 1 1177 1 91 GLU H 1 106 MET H 3.650 . 5.500 4.661 4.234 5.257 . 0 0 "[ . 1]" 1 1178 1 91 GLU H 1 91 GLU QB 2.450 . 3.100 2.639 2.368 2.828 . 0 0 "[ . 1]" 1 1179 1 91 GLU H 1 91 GLU QG 2.615 . 3.430 2.387 1.910 2.905 . 0 0 "[ . 1]" 1 1180 1 91 GLU HA 1 91 GLU QG 2.695 . 3.590 2.989 2.296 3.572 . 0 0 "[ . 1]" 1 1181 1 91 GLU QB 1 92 ASP H 2.595 . 3.390 2.677 2.215 3.159 . 0 0 "[ . 1]" 1 1182 1 91 GLU QB 1 103 ALA MB 2.745 . 3.690 2.313 2.011 2.796 . 0 0 "[ . 1]" 1 1183 1 91 GLU QB 1 104 TYR H 3.515 . 5.230 3.594 2.648 4.440 . 0 0 "[ . 1]" 1 1184 1 91 GLU QG 1 92 ASP H 3.215 . 4.630 3.829 3.545 4.285 . 0 0 "[ . 1]" 1 1185 1 92 ASP HA 1 92 ASP QB 2.245 . 2.690 2.313 2.192 2.469 . 0 0 "[ . 1]" 1 1186 1 92 ASP HA 1 93 LEU H 2.595 . 3.390 2.249 2.004 2.755 . 0 0 "[ . 1]" 1 1187 1 92 ASP H 1 104 TYR H 2.920 . 4.040 2.833 2.470 3.361 . 0 0 "[ . 1]" 1 1188 1 92 ASP H 1 92 ASP QB 2.745 . 3.690 2.528 2.182 2.915 . 0 0 "[ . 1]" 1 1189 1 92 ASP QB 1 93 LEU H 2.765 . 3.730 3.299 2.424 3.823 0.093 10 0 "[ . 1]" 1 1190 1 92 ASP QB 1 104 TYR H 3.100 . 4.400 3.238 2.180 4.459 0.059 8 0 "[ . 1]" 1 1191 1 92 ASP H 1 93 LEU H 3.140 . 4.480 4.340 4.024 4.494 0.014 6 0 "[ . 1]" 1 1192 1 92 ASP H 1 103 ALA MB 3.410 . 5.020 3.784 3.361 4.078 . 0 0 "[ . 1]" 1 1193 1 92 ASP H 1 106 MET H 3.650 . 5.500 4.226 3.680 4.716 . 0 0 "[ . 1]" 1 1194 1 92 ASP H 1 105 VAL MG2 3.620 . 5.440 4.655 4.214 5.178 . 0 0 "[ . 1]" 1 1195 1 92 ASP H 1 106 MET QG 3.270 . 4.740 3.882 3.137 4.769 0.029 1 0 "[ . 1]" 1 1196 1 92 ASP QB 1 106 MET QG 3.180 . 4.560 3.469 2.017 4.448 . 0 0 "[ . 1]" 1 1197 1 93 LEU HA 1 104 TYR H 3.040 . 4.280 3.854 3.576 4.282 0.002 6 0 "[ . 1]" 1 1198 1 93 LEU HA 1 93 LEU QD 2.795 . 3.790 2.065 2.008 2.174 . 0 0 "[ . 1]" 1 1199 1 93 LEU HA 1 94 TYR QB 3.170 . 4.540 4.003 3.852 4.396 . 0 0 "[ . 1]" 1 1200 1 93 LEU HA 1 103 ALA HA 2.810 . 3.820 2.561 2.335 2.758 . 0 0 "[ . 1]" 1 1201 1 93 LEU QD 1 103 ALA HA 3.110 . 4.420 2.869 2.478 3.418 . 0 0 "[ . 1]" 1 1202 1 93 LEU HB3 1 93 LEU QD 2.685 . 3.570 2.145 2.115 2.349 . 0 0 "[ . 1]" 1 1203 1 93 LEU HB2 1 93 LEU QD 2.600 . 3.400 2.285 2.260 2.336 . 0 0 "[ . 1]" 1 1204 1 93 LEU HA 1 103 ALA MB 2.830 . 3.860 3.220 2.394 3.590 . 0 0 "[ . 1]" 1 1205 1 93 LEU QD 1 103 ALA MB 2.645 . 3.490 2.070 1.897 2.262 . 0 0 "[ . 1]" 1 1206 1 93 LEU HB2 1 94 TYR H 3.185 . 4.570 4.216 3.832 4.322 . 0 0 "[ . 1]" 1 1207 1 93 LEU HA 1 103 ALA H 3.650 . 5.500 4.929 4.537 5.106 . 0 0 "[ . 1]" 1 1208 1 93 LEU H 1 93 LEU HB2 2.585 . 3.370 2.555 2.446 2.655 . 0 0 "[ . 1]" 1 1209 1 93 LEU H 1 93 LEU HG 2.780 . 3.760 2.906 2.315 3.914 0.154 10 0 "[ . 1]" 1 1210 1 93 LEU H 1 93 LEU HB3 2.805 . 3.810 3.676 3.557 3.754 . 0 0 "[ . 1]" 1 1211 1 93 LEU QD 1 104 TYR H 3.530 . 5.260 4.190 3.874 4.405 . 0 0 "[ . 1]" 1 1212 1 93 LEU HA 1 94 TYR H 2.485 . 3.170 2.082 1.997 2.191 . 0 0 "[ . 1]" 1 1213 1 93 LEU QD 1 94 TYR H 3.175 . 4.550 3.539 3.210 3.837 . 0 0 "[ . 1]" 1 1214 1 93 LEU HB3 1 94 TYR H 2.645 . 3.490 3.370 2.662 3.585 0.095 4 0 "[ . 1]" 1 1215 1 93 LEU H 1 93 LEU QD 2.850 . 3.900 3.219 1.990 3.468 . 0 0 "[ . 1]" 1 1216 1 93 LEU H 1 94 TYR H 3.280 . 4.760 4.261 3.986 4.484 . 0 0 "[ . 1]" 1 1217 1 93 LEU QD 1 103 ALA H 3.050 . 4.300 4.252 3.966 4.333 0.033 9 0 "[ . 1]" 1 1218 1 94 TYR QD 1 102 ILE MG 3.520 . 5.240 2.413 1.848 3.778 . 0 0 "[ . 1]" 1 1219 1 94 TYR QB 1 102 ILE MG 3.490 . 5.180 2.769 2.051 4.056 . 0 0 "[ . 1]" 1 1220 1 94 TYR H 1 102 ILE H 3.255 . 4.710 3.345 2.832 4.405 . 0 0 "[ . 1]" 1 1221 1 94 TYR H 1 94 TYR QB 2.705 . 3.610 2.407 2.290 2.673 . 0 0 "[ . 1]" 1 1222 1 94 TYR QB 1 95 ILE H 2.850 . 3.900 3.716 2.468 3.931 0.031 5 0 "[ . 1]" 1 1223 1 94 TYR H 1 102 ILE MG 3.650 . 5.500 3.776 3.099 4.926 . 0 0 "[ . 1]" 1 1224 1 94 TYR H 1 94 TYR QD 3.130 . 4.460 4.011 3.143 4.230 . 0 0 "[ . 1]" 1 1225 1 94 TYR H 1 95 ILE MG 3.500 . 5.200 5.295 5.261 5.354 0.154 8 0 "[ . 1]" 1 1226 1 94 TYR H 1 103 ALA HA 3.000 . 4.200 3.039 2.145 3.461 . 0 0 "[ . 1]" 1 1227 1 94 TYR QB 1 102 ILE H 2.995 . 4.190 3.618 3.344 3.839 . 0 0 "[ . 1]" 1 1228 1 94 TYR H 1 103 ALA MB 3.125 . 4.450 4.212 3.367 4.505 0.055 8 0 "[ . 1]" 1 1229 1 94 TYR H 1 95 ILE H 3.030 . 4.260 4.143 3.884 4.256 . 0 0 "[ . 1]" 1 1230 1 94 TYR H 1 104 TYR H 3.580 . 5.360 4.256 3.600 4.798 . 0 0 "[ . 1]" 1 1231 1 94 TYR H 1 104 TYR QD 3.565 . 5.330 4.011 3.557 4.578 . 0 0 "[ . 1]" 1 1232 1 94 TYR H 1 104 TYR QE 3.365 . 4.930 4.462 3.922 4.959 0.029 8 0 "[ . 1]" 1 1233 1 94 TYR QB 1 104 TYR QD 3.045 . 4.290 2.818 2.280 3.821 . 0 0 "[ . 1]" 1 1234 1 94 TYR QD 1 95 ILE H 2.875 . 3.950 3.811 3.536 3.986 0.036 4 0 "[ . 1]" 1 1235 1 94 TYR QD 1 102 ILE HA 3.650 . 5.500 5.551 5.347 5.696 0.196 8 0 "[ . 1]" 1 1236 1 94 TYR QB 1 104 TYR QE 2.500 . 3.200 2.302 1.923 3.222 0.022 8 0 "[ . 1]" 1 1237 1 94 TYR QD 1 104 TYR QE 3.075 . 4.350 2.654 2.145 3.161 . 0 0 "[ . 1]" 1 1238 1 95 ILE HA 1 95 ILE MG 2.560 . 3.320 3.172 3.129 3.189 . 0 0 "[ . 1]" 1 1239 1 95 ILE HG12 1 95 ILE MG 2.800 . 3.800 2.291 2.028 3.122 . 0 0 "[ . 1]" 1 1240 1 95 ILE MD 1 101 ALA HA 2.955 . 4.110 3.612 3.327 4.184 0.074 4 0 "[ . 1]" 1 1241 1 95 ILE HA 1 95 ILE MD 2.835 . 3.870 3.552 2.611 3.730 . 0 0 "[ . 1]" 1 1242 1 95 ILE HB 1 95 ILE MD 2.705 . 3.610 2.357 2.102 3.216 . 0 0 "[ . 1]" 1 1243 1 95 ILE MG 1 100 GLN H 3.240 . 4.680 4.721 4.636 4.783 0.103 4 0 "[ . 1]" 1 1244 1 95 ILE HA 1 101 ALA MB 3.065 . 4.330 3.159 1.729 3.765 0.071 5 0 "[ . 1]" 1 1245 1 95 ILE MD 1 101 ALA MB 2.500 . 3.400 2.203 1.950 2.840 . 0 0 "[ . 1]" 1 1246 1 95 ILE HA 1 101 ALA HA 3.050 . 4.300 2.526 2.005 4.344 0.044 5 0 "[ . 1]" 1 1247 1 95 ILE MG 1 99 ASP HA 2.595 . 3.390 3.544 3.462 3.614 0.224 7 0 "[ . 1]" 1 1248 1 95 ILE MD 1 102 ILE H 3.455 . 5.110 5.011 4.328 5.168 0.058 10 0 "[ . 1]" 1 1249 1 95 ILE H 1 95 ILE MD 3.125 . 4.450 4.546 4.481 4.584 0.134 4 0 "[ . 1]" 1 1250 1 95 ILE HG13 1 95 ILE MG 2.800 . 3.800 3.040 2.569 3.120 . 0 0 "[ . 1]" 1 1251 1 95 ILE MD 1 96 ASN H 3.650 . 5.500 3.828 1.754 4.182 0.046 5 0 "[ . 1]" 1 1252 1 95 ILE MD 1 101 ALA H 3.650 . 5.500 3.287 2.377 3.558 . 0 0 "[ . 1]" 1 1253 1 95 ILE H 1 95 ILE HG13 3.330 . 4.860 4.590 4.496 4.907 0.047 5 0 "[ . 1]" 1 1254 1 95 ILE H 1 95 ILE HG12 3.330 . 4.860 4.483 4.254 4.737 . 0 0 "[ . 1]" 1 1255 1 95 ILE HA 1 96 ASN H 2.445 . 3.090 2.226 2.168 2.290 . 0 0 "[ . 1]" 1 1256 1 95 ILE HA 1 102 ILE H 3.065 . 4.330 3.212 2.766 3.909 . 0 0 "[ . 1]" 1 1257 1 95 ILE H 1 95 ILE HB 2.610 . 3.420 2.935 2.774 3.054 . 0 0 "[ . 1]" 1 1258 1 95 ILE H 1 95 ILE MG 2.800 . 3.800 2.306 2.120 2.859 . 0 0 "[ . 1]" 1 1259 1 95 ILE HA 1 101 ALA H 3.650 . 5.500 4.472 4.163 4.723 . 0 0 "[ . 1]" 1 1260 1 95 ILE MG 1 99 ASP H 3.215 . 4.630 4.315 4.090 4.435 . 0 0 "[ . 1]" 1 1261 1 95 ILE H 1 96 ASN H 3.280 . 4.760 4.303 4.210 4.430 . 0 0 "[ . 1]" 1 1262 1 95 ILE MG 1 96 ASN H 2.655 . 3.510 3.447 2.991 3.560 0.050 1 0 "[ . 1]" 1 1263 1 95 ILE MG 1 101 ALA H 3.650 . 5.500 5.456 5.013 5.538 0.038 3 0 "[ . 1]" 1 1264 1 95 ILE H 1 95 ILE QG 2.935 . 4.070 4.033 4.000 4.103 0.033 4 0 "[ . 1]" 1 1265 1 95 ILE HA 1 95 ILE QG 2.670 . 3.540 2.251 1.976 2.316 . 0 0 "[ . 1]" 1 1266 1 95 ILE QG 1 95 ILE MG 2.455 . 3.110 2.184 1.997 2.456 . 0 0 "[ . 1]" 1 1267 1 95 ILE QG 1 96 ASN H 2.330 . 2.860 2.459 2.201 3.045 0.185 5 0 "[ . 1]" 1 1268 1 95 ILE QG 1 99 ASP HA 3.035 . 4.270 2.396 2.048 3.833 . 0 0 "[ . 1]" 1 1269 1 95 ILE QG 1 101 ALA H 2.580 . 3.360 3.018 2.924 3.322 . 0 0 "[ . 1]" 1 1270 1 95 ILE QG 1 101 ALA MB 2.795 . 3.790 2.477 1.884 2.996 . 0 0 "[ . 1]" 1 1271 1 95 ILE QG 1 102 ILE H 3.380 . 4.960 4.215 3.755 4.708 . 0 0 "[ . 1]" 1 1272 1 95 ILE MD 1 98 ASN QB 3.570 . 5.340 5.357 4.494 5.502 0.162 9 0 "[ . 1]" 1 1273 1 95 ILE MD 1 99 ASP QB 3.570 . 5.340 3.048 2.667 3.405 . 0 0 "[ . 1]" 1 1274 1 96 ASN HA 1 97 ALA MB 3.310 . 4.820 4.136 4.038 4.223 . 0 0 "[ . 1]" 1 1275 1 96 ASN HB3 1 97 ALA MB 3.650 . 5.500 4.962 3.353 5.274 . 0 0 "[ . 1]" 1 1276 1 96 ASN HB2 1 97 ALA MB 2.905 . 4.005 3.826 3.640 3.964 . 0 0 "[ . 1]" 1 1277 1 96 ASN HB2 1 97 ALA H 2.325 . 2.850 2.190 2.008 2.744 . 0 0 "[ . 1]" 1 1278 1 96 ASN HB3 1 97 ALA H 3.650 . 5.500 3.391 1.899 3.671 . 0 0 "[ . 1]" 1 1279 1 96 ASN H 1 96 ASN HB3 2.945 . 4.090 3.073 2.796 3.785 . 0 0 "[ . 1]" 1 1280 1 96 ASN H 1 96 ASN HB2 2.810 . 3.820 3.639 2.774 3.778 . 0 0 "[ . 1]" 1 1281 1 96 ASN HB2 1 96 ASN HD22 2.900 . 4.000 3.497 3.376 3.604 . 0 0 "[ . 1]" 1 1282 1 96 ASN H 1 100 GLN H 3.125 . 4.450 3.194 2.970 3.616 . 0 0 "[ . 1]" 1 1283 1 96 ASN HB3 1 98 ASN H 3.465 . 5.130 4.449 3.591 4.866 . 0 0 "[ . 1]" 1 1284 1 96 ASN H 1 102 ILE H 3.650 . 5.500 4.975 4.551 5.436 . 0 0 "[ . 1]" 1 1285 1 96 ASN H 1 100 GLN QB 3.255 . 4.710 3.752 3.141 4.859 0.149 5 0 "[ . 1]" 1 1286 1 96 ASN H 1 101 ALA H 3.650 . 5.500 4.891 3.910 5.091 . 0 0 "[ . 1]" 1 1287 1 96 ASN HD22 1 100 GLN QB 2.780 . 3.760 2.725 2.096 3.794 0.034 6 0 "[ . 1]" 1 1288 1 96 ASN HB2 1 96 ASN HD21 2.100 . 2.400 2.315 2.017 2.506 0.106 8 0 "[ . 1]" 1 1289 1 96 ASN HD21 1 100 GLN QB 3.085 . 4.370 3.770 2.635 4.380 0.010 9 0 "[ . 1]" 1 1290 1 96 ASN HD21 1 97 ALA MB 3.650 . 5.500 4.819 3.940 5.684 0.184 6 0 "[ . 1]" 1 1291 1 97 ALA MB 1 98 ASN H 2.920 . 4.040 3.473 3.348 3.567 . 0 0 "[ . 1]" 1 1292 1 97 ALA H 1 97 ALA MB 2.865 . 3.930 2.191 2.029 2.237 . 0 0 "[ . 1]" 1 1293 1 97 ALA H 1 98 ASN H 2.835 . 3.870 2.942 2.701 3.144 . 0 0 "[ . 1]" 1 1294 1 97 ALA MB 1 98 ASN QB 3.310 . 4.820 4.613 4.018 4.801 . 0 0 "[ . 1]" 1 1295 1 98 ASN H 1 98 ASN HB3 2.805 . 3.810 3.604 2.606 3.773 . 0 0 "[ . 1]" 1 1296 1 98 ASN HB3 1 99 ASP H 3.325 . 4.850 4.186 3.402 4.330 . 0 0 "[ . 1]" 1 1297 1 98 ASN HB2 1 99 ASP H 3.325 . 4.850 3.621 3.486 4.129 . 0 0 "[ . 1]" 1 1298 1 98 ASN H 1 98 ASN HB2 2.805 . 3.810 2.544 2.423 2.698 . 0 0 "[ . 1]" 1 1299 1 98 ASN H 1 99 ASP H 3.045 . 4.290 1.982 1.864 2.126 . 0 0 "[ . 1]" 1 1300 1 98 ASN HB3 1 98 ASN HD21 2.810 . 3.820 2.428 2.156 2.940 . 0 0 "[ . 1]" 1 1301 1 98 ASN HB2 1 98 ASN HD21 2.810 . 3.820 3.209 2.292 3.508 . 0 0 "[ . 1]" 1 1302 1 98 ASN HB3 1 98 ASN HD22 2.810 . 3.820 3.543 3.430 3.754 . 0 0 "[ . 1]" 1 1303 1 98 ASN HB2 1 98 ASN HD22 2.810 . 3.820 3.857 3.505 3.948 0.128 2 0 "[ . 1]" 1 1304 1 98 ASN H 1 98 ASN QB 2.375 . 2.950 2.475 2.360 2.595 . 0 0 "[ . 1]" 1 1305 1 98 ASN QB 1 98 ASN QD 2.345 . 2.890 2.255 2.068 2.679 . 0 0 "[ . 1]" 1 1306 1 98 ASN QB 1 99 ASP H 2.885 . 3.970 3.381 3.251 3.480 . 0 0 "[ . 1]" 1 1307 1 98 ASN QB 1 100 GLN QB 3.215 . 4.630 2.745 2.167 3.097 . 0 0 "[ . 1]" 1 1308 1 98 ASN QB 1 100 GLN QG 2.915 . 4.030 2.251 1.966 3.074 . 0 0 "[ . 1]" 1 1309 1 98 ASN QB 1 100 GLN QE 2.905 . 4.010 3.104 1.811 3.884 . 0 0 "[ . 1]" 1 1310 1 98 ASN QD 1 100 GLN QG 3.145 . 4.490 4.039 2.788 4.553 0.063 5 0 "[ . 1]" 1 1311 1 99 ASP H 1 99 ASP HB2 2.980 . 4.160 3.372 3.151 3.490 . 0 0 "[ . 1]" 1 1312 1 99 ASP HA 1 100 GLN H 2.625 . 3.450 2.796 2.662 2.882 . 0 0 "[ . 1]" 1 1313 1 99 ASP H 1 99 ASP HB3 2.980 . 4.160 3.964 3.696 4.098 . 0 0 "[ . 1]" 1 1314 1 99 ASP H 1 100 GLN H 2.470 . 3.140 2.573 2.476 2.641 . 0 0 "[ . 1]" 1 1315 1 99 ASP H 1 100 GLN QB 3.245 . 4.690 4.638 4.416 4.712 0.022 10 0 "[ . 1]" 1 1316 1 99 ASP H 1 100 GLN QG 3.185 . 4.570 4.315 4.023 4.592 0.022 5 0 "[ . 1]" 1 1317 1 99 ASP H 1 99 ASP QB 2.690 . 3.580 3.196 2.985 3.302 . 0 0 "[ . 1]" 1 1318 1 100 GLN HA 1 100 GLN QG 2.775 . 3.750 2.511 2.343 3.001 . 0 0 "[ . 1]" 1 1319 1 100 GLN QB 1 101 ALA H 2.635 . 3.470 3.507 3.427 3.649 0.179 5 0 "[ . 1]" 1 1320 1 100 GLN H 1 101 ALA H 2.980 . 4.160 4.011 3.205 4.179 0.019 6 0 "[ . 1]" 1 1321 1 100 GLN H 1 100 GLN QG 2.620 . 3.440 2.722 2.495 3.138 . 0 0 "[ . 1]" 1 1322 1 100 GLN H 1 100 GLN QB 2.445 . 3.090 2.469 2.366 2.549 . 0 0 "[ . 1]" 1 1323 1 101 ALA MB 1 102 ILE HA 3.170 . 4.540 3.936 3.742 4.196 . 0 0 "[ . 1]" 1 1324 1 101 ALA HA 1 102 ILE MG 3.650 . 5.500 3.834 3.587 5.083 . 0 0 "[ . 1]" 1 1325 1 101 ALA H 1 101 ALA MB 2.485 . 3.170 2.396 2.242 2.776 . 0 0 "[ . 1]" 1 1326 1 101 ALA MB 1 102 ILE H 2.715 . 3.630 2.723 1.926 3.302 . 0 0 "[ . 1]" 1 1327 1 101 ALA HA 1 102 ILE H 2.530 . 3.260 2.260 2.077 2.807 . 0 0 "[ . 1]" 1 1328 1 101 ALA H 1 102 ILE H 3.170 . 4.540 4.457 4.384 4.553 0.013 8 0 "[ . 1]" 1 1329 1 102 ILE HA 1 102 ILE MD 2.810 . 3.820 2.935 1.962 3.835 0.015 2 0 "[ . 1]" 1 1330 1 102 ILE HG12 1 102 ILE MG 2.800 . 3.800 2.409 2.208 3.209 . 0 0 "[ . 1]" 1 1331 1 102 ILE MD 1 102 ILE MG 2.455 . 3.110 2.474 1.934 3.207 0.097 4 0 "[ . 1]" 1 1332 1 102 ILE HG13 1 102 ILE MG 2.800 . 3.800 2.795 2.315 3.226 . 0 0 "[ . 1]" 1 1333 1 102 ILE HA 1 102 ILE MG 2.790 . 3.780 3.167 2.718 3.235 . 0 0 "[ . 1]" 1 1334 1 102 ILE H 1 102 ILE MG 2.430 . 3.060 2.449 2.182 3.280 0.220 9 0 "[ . 1]" 1 1335 1 102 ILE MG 1 104 TYR QD 3.555 . 5.310 3.180 2.535 3.677 . 0 0 "[ . 1]" 1 1336 1 102 ILE HB 1 102 ILE MD 2.550 . 3.300 2.489 2.368 3.252 . 0 0 "[ . 1]" 1 1337 1 102 ILE HA 1 102 ILE HG12 2.965 . 4.130 3.340 2.831 3.805 . 0 0 "[ . 1]" 1 1338 1 102 ILE HA 1 102 ILE HG13 2.965 . 4.130 2.815 2.449 3.640 . 0 0 "[ . 1]" 1 1339 1 102 ILE HG13 1 103 ALA H 3.440 . 5.080 2.752 1.843 5.115 0.035 9 0 "[ . 1]" 1 1340 1 102 ILE HA 1 103 ALA MB 3.125 . 4.450 3.897 3.748 4.075 . 0 0 "[ . 1]" 1 1341 1 102 ILE MG 1 104 TYR QB 3.650 . 5.500 4.805 4.129 5.169 . 0 0 "[ . 1]" 1 1342 1 102 ILE H 1 102 ILE MD 3.340 . 4.880 4.556 3.932 4.865 . 0 0 "[ . 1]" 1 1343 1 102 ILE H 1 102 ILE HB 2.825 . 3.850 3.118 2.045 3.299 . 0 0 "[ . 1]" 1 1344 1 102 ILE HB 1 103 ALA H 3.115 . 4.430 4.062 3.857 4.281 . 0 0 "[ . 1]" 1 1345 1 102 ILE MG 1 103 ALA H 2.700 . 3.600 3.495 2.728 3.630 0.030 3 0 "[ . 1]" 1 1346 1 102 ILE H 1 103 ALA H 3.140 . 4.480 4.321 4.268 4.386 . 0 0 "[ . 1]" 1 1347 1 102 ILE HA 1 103 ALA H 2.505 . 3.210 2.284 2.124 2.494 . 0 0 "[ . 1]" 1 1348 1 102 ILE HG12 1 103 ALA H 3.440 . 5.080 3.219 2.193 4.802 . 0 0 "[ . 1]" 1 1349 1 102 ILE MD 1 103 ALA H 3.160 . 4.520 3.168 2.175 4.103 . 0 0 "[ . 1]" 1 1350 1 102 ILE MG 1 104 TYR QE 2.355 . 2.910 2.491 1.818 2.941 0.031 6 0 "[ . 1]" 1 1351 1 102 ILE H 1 102 ILE QG 3.185 . 4.570 4.067 3.025 4.295 . 0 0 "[ . 1]" 1 1352 1 102 ILE HA 1 102 ILE QG 2.670 . 3.540 2.630 2.361 2.957 . 0 0 "[ . 1]" 1 1353 1 102 ILE QG 1 102 ILE MG 2.545 . 3.290 2.213 2.033 2.374 . 0 0 "[ . 1]" 1 1354 1 102 ILE QG 1 103 ALA H 3.090 . 4.380 2.457 1.836 4.402 0.022 9 0 "[ . 1]" 1 1355 1 103 ALA HA 1 104 TYR H 2.430 . 3.060 2.141 2.077 2.207 . 0 0 "[ . 1]" 1 1356 1 103 ALA MB 1 104 TYR H 2.705 . 3.610 2.990 2.804 3.191 . 0 0 "[ . 1]" 1 1357 1 103 ALA H 1 103 ALA MB 2.460 . 3.120 2.362 2.242 2.413 . 0 0 "[ . 1]" 1 1358 1 103 ALA H 1 104 TYR H 3.280 . 4.760 4.371 4.282 4.512 . 0 0 "[ . 1]" 1 1359 1 104 TYR HA 1 105 VAL HB 3.345 . 4.890 4.353 4.193 4.448 . 0 0 "[ . 1]" 1 1360 1 104 TYR HA 1 104 TYR QB 2.235 . 2.670 2.342 2.171 2.422 . 0 0 "[ . 1]" 1 1361 1 104 TYR H 1 104 TYR QB 2.740 . 3.680 2.597 2.421 3.305 . 0 0 "[ . 1]" 1 1362 1 104 TYR QD 1 105 VAL H 3.160 . 4.520 3.807 3.424 4.024 . 0 0 "[ . 1]" 1 1363 1 104 TYR H 1 104 TYR QE 3.580 . 5.360 4.710 4.350 5.040 . 0 0 "[ . 1]" 1 1364 1 104 TYR QB 1 105 VAL H 2.690 . 3.580 2.378 2.039 2.716 . 0 0 "[ . 1]" 1 1365 1 104 TYR HA 1 104 TYR QD 2.810 . 3.820 3.115 2.853 3.632 . 0 0 "[ . 1]" 1 1366 1 104 TYR H 1 104 TYR QD 2.845 . 3.890 2.646 2.379 3.194 . 0 0 "[ . 1]" 1 1367 1 104 TYR HA 1 105 VAL MG2 3.445 . 5.090 3.475 3.205 3.611 . 0 0 "[ . 1]" 1 1368 1 105 VAL H 1 105 VAL HB 2.645 . 3.490 2.436 2.219 2.574 . 0 0 "[ . 1]" 1 1369 1 105 VAL HA 1 106 MET H 2.370 . 2.940 1.962 1.918 2.006 . 0 0 "[ . 1]" 1 1370 1 105 VAL H 1 105 VAL MG2 2.320 . 2.840 2.830 2.665 2.953 0.113 1 0 "[ . 1]" 1 1371 1 105 VAL MG2 1 106 MET H 2.505 . 3.210 3.354 3.307 3.400 0.190 7 0 "[ . 1]" 1 1372 1 106 MET HA 1 107 LEU QD 3.075 . 4.350 3.002 2.864 3.342 . 0 0 "[ . 1]" 1 1373 1 106 MET H 1 106 MET HG3 3.150 . 4.500 3.947 3.048 4.523 0.023 5 0 "[ . 1]" 1 1374 1 106 MET H 1 106 MET HG2 3.150 . 4.500 3.603 2.978 4.163 . 0 0 "[ . 1]" 1 1375 1 106 MET HA 1 107 LEU HG 3.635 . 5.470 5.315 5.129 5.494 0.024 10 0 "[ . 1]" 1 1376 1 106 MET HA 1 107 LEU H 2.680 . 3.560 2.580 2.404 2.751 . 0 0 "[ . 1]" 1 1377 1 106 MET H 1 107 LEU H 3.530 . 5.260 4.318 4.278 4.369 . 0 0 "[ . 1]" 1 1378 1 106 MET H 1 106 MET QB 2.665 . 3.530 2.684 2.610 2.792 . 0 0 "[ . 1]" 1 1379 1 106 MET H 1 106 MET QG 2.770 . 3.740 3.156 2.926 3.372 . 0 0 "[ . 1]" 1 1380 1 106 MET QB 1 106 MET QG 2.015 . 2.230 2.028 1.982 2.090 . 0 0 "[ . 1]" 1 1381 1 106 MET QB 1 107 LEU H 2.510 . 3.220 2.135 1.869 2.436 . 0 0 "[ . 1]" 1 1382 1 106 MET QB 1 107 LEU HA 3.290 . 4.780 4.048 3.860 4.253 . 0 0 "[ . 1]" 1 1383 1 106 MET QB 1 107 LEU QD 3.130 . 4.460 3.449 2.819 4.040 . 0 0 "[ . 1]" 1 1384 1 106 MET QG 1 107 LEU H 3.075 . 4.350 4.026 3.839 4.310 . 0 0 "[ . 1]" 1 1385 1 107 LEU HA 1 107 LEU QD 2.900 . 4.000 3.198 2.813 3.436 . 0 0 "[ . 1]" 1 1386 1 107 LEU HA 1 107 LEU QB 2.245 . 2.690 2.283 2.178 2.443 . 0 0 "[ . 1]" 1 1387 1 107 LEU QD 1 111 ALA MB 2.340 . 2.880 2.254 2.043 2.666 . 0 0 "[ . 1]" 1 1388 1 107 LEU HG 1 111 ALA MB 2.805 . 3.810 3.171 2.225 3.812 0.002 1 0 "[ . 1]" 1 1389 1 107 LEU HA 1 111 ALA MB 3.215 . 4.630 3.452 3.022 3.747 . 0 0 "[ . 1]" 1 1390 1 107 LEU H 1 107 LEU QB 2.435 . 3.070 2.797 2.406 3.110 0.040 9 0 "[ . 1]" 1 1391 1 107 LEU H 1 108 GLY H 3.380 . 4.960 4.375 4.187 4.525 . 0 0 "[ . 1]" 1 1392 1 107 LEU QD 1 108 GLY H 3.315 . 4.830 4.223 3.950 4.400 . 0 0 "[ . 1]" 1 1393 1 107 LEU QD 1 112 GLN H 3.650 . 5.500 5.160 4.386 5.570 0.070 1 0 "[ . 1]" 1 1394 1 107 LEU H 1 107 LEU QD 2.790 . 3.780 2.082 1.746 2.674 0.054 7 0 "[ . 1]" 1 1395 1 107 LEU H 1 107 LEU HG 3.005 . 4.210 3.483 2.859 4.142 . 0 0 "[ . 1]" 1 1396 1 107 LEU HG 1 108 GLY H 3.320 . 4.840 4.297 4.066 4.586 . 0 0 "[ . 1]" 1 1397 1 107 LEU QB 1 108 GLY H 2.900 . 4.000 3.014 2.643 3.268 . 0 0 "[ . 1]" 1 1398 1 108 GLY H 1 109 ASN H 3.300 . 4.800 3.440 2.605 4.405 . 0 0 "[ . 1]" 1 1399 1 108 GLY H 1 111 ALA MB 3.050 . 4.300 2.649 2.294 3.175 . 0 0 "[ . 1]" 1 1400 1 109 ASN H 1 110 LYS H 3.065 . 4.330 2.853 2.623 3.068 . 0 0 "[ . 1]" 1 1401 1 109 ASN H 1 111 ALA MB 3.405 . 5.010 4.483 3.933 5.002 . 0 0 "[ . 1]" 1 1402 1 109 ASN QB 1 109 ASN QD 2.465 . 3.130 2.176 2.080 2.266 . 0 0 "[ . 1]" 1 1403 1 109 ASN QB 1 110 LYS H 3.100 . 4.400 2.958 2.428 3.937 . 0 0 "[ . 1]" 1 1404 1 109 ASN QB 1 111 ALA H 3.570 . 5.340 4.509 4.245 4.881 . 0 0 "[ . 1]" 1 1405 1 109 ASN QD 1 110 LYS H 3.515 . 5.230 4.419 3.361 5.060 . 0 0 "[ . 1]" 1 1406 1 109 ASN QD 1 110 LYS HG2 3.570 . 5.340 4.300 2.235 5.381 0.041 9 0 "[ . 1]" 1 1407 1 110 LYS H 1 110 LYS HG3 3.040 . 4.280 3.919 2.702 4.288 0.008 6 0 "[ . 1]" 1 1408 1 110 LYS HB3 1 113 THR HB 3.410 . 5.020 2.920 2.477 3.624 . 0 0 "[ . 1]" 1 1409 1 110 LYS QE 1 110 LYS HG2 2.880 . 3.960 2.783 2.273 3.303 . 0 0 "[ . 1]" 1 1410 1 110 LYS HA 1 110 LYS HG2 3.025 . 4.250 3.046 2.479 3.322 . 0 0 "[ . 1]" 1 1411 1 110 LYS HA 1 110 LYS HB3 2.295 . 2.790 2.480 2.402 2.687 . 0 0 "[ . 1]" 1 1412 1 110 LYS QE 1 110 LYS HG3 2.100 . 2.400 2.430 2.400 2.500 0.100 4 0 "[ . 1]" 1 1413 1 110 LYS HA 1 110 LYS HG3 2.915 . 4.030 3.734 3.383 3.848 . 0 0 "[ . 1]" 1 1414 1 110 LYS HB2 1 110 LYS QE 3.585 . 5.370 4.153 2.220 4.473 . 0 0 "[ . 1]" 1 1415 1 110 LYS H 1 110 LYS HB2 2.535 . 3.270 2.560 2.322 2.671 . 0 0 "[ . 1]" 1 1416 1 110 LYS HB2 1 111 ALA H 2.915 . 4.030 3.757 3.485 3.999 . 0 0 "[ . 1]" 1 1417 1 110 LYS H 1 111 ALA H 2.635 . 3.470 2.388 2.217 2.720 . 0 0 "[ . 1]" 1 1418 1 110 LYS H 1 110 LYS HB3 2.745 . 3.690 3.692 3.543 3.720 0.030 9 0 "[ . 1]" 1 1419 1 110 LYS HB3 1 113 THR H 3.205 . 4.610 4.179 3.833 4.503 . 0 0 "[ . 1]" 1 1420 1 110 LYS H 1 110 LYS HG2 2.595 . 3.390 2.830 2.448 3.413 0.023 10 0 "[ . 1]" 1 1421 1 110 LYS H 1 111 ALA HA 3.310 . 4.820 4.554 4.409 4.818 . 0 0 "[ . 1]" 1 1422 1 111 ALA MB 1 114 VAL H 3.650 . 5.500 4.366 4.276 4.571 . 0 0 "[ . 1]" 1 1423 1 111 ALA HA 1 114 VAL HB 3.515 . 5.230 2.965 2.300 3.470 . 0 0 "[ . 1]" 1 1424 1 111 ALA HA 1 114 VAL H 3.500 . 5.200 3.222 3.038 3.584 . 0 0 "[ . 1]" 1 1425 1 111 ALA MB 1 112 GLN H 2.800 . 3.800 2.615 2.452 2.802 . 0 0 "[ . 1]" 1 1426 1 111 ALA HA 1 113 THR H 3.120 . 4.440 4.073 3.937 4.274 . 0 0 "[ . 1]" 1 1427 1 111 ALA H 1 111 ALA MB 2.445 . 3.090 2.242 2.189 2.303 . 0 0 "[ . 1]" 1 1428 1 111 ALA H 1 112 GLN H 2.810 . 3.820 2.563 2.079 2.895 . 0 0 "[ . 1]" 1 1429 1 111 ALA MB 1 113 THR H 3.455 . 5.110 4.411 4.226 4.593 . 0 0 "[ . 1]" 1 1430 1 111 ALA H 1 112 GLN QG 3.465 . 5.130 4.703 3.675 5.359 0.229 8 0 "[ . 1]" 1 1431 1 111 ALA H 1 112 GLN QB 3.405 . 5.010 4.525 3.577 5.033 0.023 7 0 "[ . 1]" 1 1432 1 111 ALA MB 1 112 GLN QB 3.145 . 4.490 3.858 3.677 4.020 . 0 0 "[ . 1]" 1 1433 1 112 GLN HA 1 115 LEU QD 2.635 . 3.470 2.211 2.103 2.429 . 0 0 "[ . 1]" 1 1434 1 112 GLN HA 1 112 GLN QG 2.880 . 3.960 3.388 3.091 3.531 . 0 0 "[ . 1]" 1 1435 1 112 GLN HE21 1 112 GLN QG 2.945 . 4.090 2.353 2.186 2.888 . 0 0 "[ . 1]" 1 1436 1 112 GLN HA 1 115 LEU H 3.080 . 4.360 3.212 3.064 3.327 . 0 0 "[ . 1]" 1 1437 1 112 GLN HA 1 114 VAL HB 3.260 . 4.720 4.718 4.588 4.780 0.060 2 0 "[ . 1]" 1 1438 1 112 GLN HA 1 116 ASN H 3.650 . 5.500 4.163 3.964 4.248 . 0 0 "[ . 1]" 1 1439 1 112 GLN HE21 1 116 ASN QB 2.775 . 3.750 3.444 2.698 3.769 0.019 3 0 "[ . 1]" 1 1440 1 112 GLN QG 1 115 LEU QD 3.650 . 5.500 4.588 4.181 5.054 . 0 0 "[ . 1]" 1 1441 1 112 GLN QG 1 113 THR MG 3.650 . 5.500 4.602 4.420 4.757 . 0 0 "[ . 1]" 1 1442 1 112 GLN H 1 113 THR H 2.905 . 4.010 2.558 2.423 2.672 . 0 0 "[ . 1]" 1 1443 1 112 GLN QG 1 113 THR H 3.045 . 4.290 2.657 2.136 3.237 . 0 0 "[ . 1]" 1 1444 1 112 GLN H 1 115 LEU QD 3.650 . 5.500 4.293 4.149 4.459 . 0 0 "[ . 1]" 1 1445 1 112 GLN H 1 114 VAL H 3.380 . 4.960 3.874 3.797 4.003 . 0 0 "[ . 1]" 1 1446 1 112 GLN HE22 1 116 ASN H 3.315 . 4.830 4.777 4.364 4.882 0.052 1 0 "[ . 1]" 1 1447 1 112 GLN HE21 1 116 ASN H 3.315 . 4.830 4.336 3.249 4.627 . 0 0 "[ . 1]" 1 1448 1 112 GLN H 1 112 GLN QG 2.985 . 4.170 2.822 2.179 3.749 . 0 0 "[ . 1]" 1 1449 1 112 GLN HE22 1 116 ASN QB 2.775 . 3.750 3.488 3.160 3.774 0.024 8 0 "[ . 1]" 1 1450 1 112 GLN QG 1 116 ASN H 3.650 . 5.500 5.256 4.567 5.636 0.136 6 0 "[ . 1]" 1 1451 1 112 GLN H 1 112 GLN QB 2.545 . 3.290 2.368 2.058 2.549 . 0 0 "[ . 1]" 1 1452 1 112 GLN QB 1 112 GLN QE 3.145 . 4.490 3.087 1.792 3.701 0.008 6 0 "[ . 1]" 1 1453 1 112 GLN QB 1 113 THR H 2.905 . 4.010 3.342 2.596 3.698 . 0 0 "[ . 1]" 1 1454 1 112 GLN QB 1 115 LEU QD 2.745 . 3.690 3.262 2.649 3.595 . 0 0 "[ . 1]" 1 1455 1 112 GLN QE 1 113 THR HA 2.915 . 4.030 2.839 2.012 4.067 0.037 2 0 "[ . 1]" 1 1456 1 112 GLN QE 1 116 ASN H 2.985 . 4.170 4.007 3.165 4.212 0.042 6 0 "[ . 1]" 1 1457 1 112 GLN QE 1 116 ASN QB 2.475 . 3.150 3.031 2.642 3.264 0.114 9 0 "[ . 1]" 1 1458 1 113 THR MG 1 119 LEU H 3.025 . 4.250 3.767 3.274 4.291 0.041 9 0 "[ . 1]" 1 1459 1 113 THR HA 1 113 THR MG 2.625 . 3.450 2.290 2.241 2.345 . 0 0 "[ . 1]" 1 1460 1 113 THR MG 1 118 ASN HB3 2.750 . 3.700 2.465 1.875 3.291 . 0 0 "[ . 1]" 1 1461 1 113 THR MG 1 118 ASN HB2 2.750 . 3.700 3.226 2.236 3.736 0.036 9 0 "[ . 1]" 1 1462 1 113 THR HA 1 116 ASN QB 2.995 . 4.190 2.313 2.079 2.593 . 0 0 "[ . 1]" 1 1463 1 113 THR MG 1 118 ASN HA 3.325 . 4.850 4.153 3.952 4.290 . 0 0 "[ . 1]" 1 1464 1 113 THR H 1 113 THR HB 2.650 . 3.500 2.600 2.473 2.699 . 0 0 "[ . 1]" 1 1465 1 113 THR HB 1 119 LEU HB3 2.695 . 3.590 3.359 3.026 3.595 0.005 3 0 "[ . 1]" 1 1466 1 113 THR HB 1 114 VAL H 2.745 . 3.690 2.877 2.697 2.980 . 0 0 "[ . 1]" 1 1467 1 113 THR MG 1 118 ASN H 3.065 . 4.330 3.113 2.948 3.466 . 0 0 "[ . 1]" 1 1468 1 113 THR H 1 116 ASN QB 3.585 . 5.370 4.675 4.478 4.828 . 0 0 "[ . 1]" 1 1469 1 113 THR H 1 113 THR MG 2.835 . 3.870 3.691 3.637 3.747 . 0 0 "[ . 1]" 1 1470 1 113 THR MG 1 114 VAL H 2.875 . 3.950 3.930 3.853 3.975 0.025 5 0 "[ . 1]" 1 1471 1 113 THR HA 1 116 ASN H 2.920 . 4.040 3.161 2.796 3.478 . 0 0 "[ . 1]" 1 1472 1 113 THR H 1 115 LEU H 3.225 . 4.650 4.001 3.789 4.198 . 0 0 "[ . 1]" 1 1473 1 113 THR H 1 116 ASN H 3.500 . 5.200 4.562 4.390 4.736 . 0 0 "[ . 1]" 1 1474 1 113 THR MG 1 117 GLY H 3.300 . 4.800 4.411 4.192 4.623 . 0 0 "[ . 1]" 1 1475 1 113 THR H 1 114 VAL MG2 3.015 . 4.230 3.619 3.437 3.924 . 0 0 "[ . 1]" 1 1476 1 113 THR HA 1 114 VAL MG2 3.620 . 5.440 4.924 4.831 5.048 . 0 0 "[ . 1]" 1 1477 1 113 THR HA 1 118 ASN QB 3.180 . 4.560 3.764 3.313 4.235 . 0 0 "[ . 1]" 1 1478 1 113 THR HB 1 114 VAL MG2 2.925 . 4.050 3.432 3.271 3.564 . 0 0 "[ . 1]" 1 1479 1 113 THR HB 1 119 LEU MD1 3.510 . 5.220 4.902 4.315 5.244 0.024 10 0 "[ . 1]" 1 1480 1 113 THR MG 1 119 LEU MD1 3.140 . 4.480 4.230 3.989 4.490 0.010 9 0 "[ . 1]" 1 1481 1 114 VAL HA 1 114 VAL MG2 2.815 . 3.130 2.506 2.422 2.553 . 0 0 "[ . 1]" 1 1482 1 114 VAL HA 1 114 VAL MG1 2.815 . 3.830 2.381 2.319 2.498 . 0 0 "[ . 1]" 1 1483 1 114 VAL H 1 114 VAL MG1 2.855 . 3.910 3.777 3.742 3.795 . 0 0 "[ . 1]" 1 1484 1 114 VAL HA 1 119 LEU HB3 2.745 . 3.690 2.339 2.158 2.456 . 0 0 "[ . 1]" 1 1485 1 114 VAL HB 1 115 LEU H 2.490 . 3.180 2.463 2.389 2.558 . 0 0 "[ . 1]" 1 1486 1 114 VAL MG2 1 119 LEU HB3 2.855 . 3.330 2.953 2.638 3.336 0.006 7 0 "[ . 1]" 1 1487 1 114 VAL HA 1 119 LEU HB2 3.350 . 4.900 3.713 3.557 3.869 . 0 0 "[ . 1]" 1 1488 1 114 VAL HB 1 115 LEU HA 3.410 . 5.020 4.134 4.030 4.312 . 0 0 "[ . 1]" 1 1489 1 114 VAL MG1 1 119 LEU HB3 2.855 . 3.910 3.887 3.803 3.954 0.044 7 0 "[ . 1]" 1 1490 1 114 VAL HA 1 119 LEU H 2.885 . 3.970 3.881 3.487 4.076 0.106 6 0 "[ . 1]" 1 1491 1 114 VAL H 1 115 LEU HG 3.140 . 4.480 4.048 3.924 4.158 . 0 0 "[ . 1]" 1 1492 1 114 VAL H 1 114 VAL HB 2.625 . 3.450 2.598 2.496 2.701 . 0 0 "[ . 1]" 1 1493 1 114 VAL H 1 115 LEU H 2.730 . 3.660 2.528 2.386 2.643 . 0 0 "[ . 1]" 1 1494 1 114 VAL H 1 116 ASN H 3.120 . 4.440 3.883 3.723 3.975 . 0 0 "[ . 1]" 1 1495 1 114 VAL H 1 114 VAL MG2 2.855 . 3.910 1.997 1.945 2.151 . 0 0 "[ . 1]" 1 1496 1 114 VAL HA 1 119 LEU MD1 3.035 . 4.270 2.081 1.957 2.259 . 0 0 "[ . 1]" 1 1497 1 114 VAL MG2 1 115 LEU H 2.855 . 3.910 3.625 3.523 3.801 . 0 0 "[ . 1]" 1 1498 1 114 VAL MG2 1 119 LEU HG 2.755 . 3.710 2.005 1.858 2.415 . 0 0 "[ . 1]" 1 1499 1 114 VAL MG1 1 119 LEU MD1 2.360 . 2.920 2.478 2.139 2.738 . 0 0 "[ . 1]" 1 1500 1 115 LEU HA 1 115 LEU QD 2.565 . 3.330 2.236 2.075 3.411 0.081 6 0 "[ . 1]" 1 1501 1 115 LEU HB3 1 115 LEU QD 2.580 . 3.360 2.126 2.112 2.148 . 0 0 "[ . 1]" 1 1502 1 115 LEU H 1 115 LEU HB2 2.945 . 4.090 2.659 2.520 3.643 . 0 0 "[ . 1]" 1 1503 1 115 LEU HA 1 116 ASN HA 3.480 . 5.160 4.746 4.712 4.785 . 0 0 "[ . 1]" 1 1504 1 115 LEU HB2 1 115 LEU QD 2.650 . 3.500 2.253 2.064 2.293 . 0 0 "[ . 1]" 1 1505 1 115 LEU HB2 1 116 ASN H 2.670 . 3.540 2.708 2.477 3.659 0.119 6 0 "[ . 1]" 1 1506 1 115 LEU QD 1 116 ASN H 3.030 . 4.260 3.857 2.267 4.112 . 0 0 "[ . 1]" 1 1507 1 115 LEU HG 1 117 GLY H 3.630 . 5.460 5.450 4.793 5.547 0.087 10 0 "[ . 1]" 1 1508 1 115 LEU H 1 115 LEU HG 2.325 . 2.850 2.086 1.969 2.210 . 0 0 "[ . 1]" 1 1509 1 115 LEU H 1 115 LEU HB3 2.845 . 3.890 3.510 2.848 3.601 . 0 0 "[ . 1]" 1 1510 1 115 LEU H 1 116 ASN H 2.745 . 3.690 2.574 2.472 2.666 . 0 0 "[ . 1]" 1 1511 1 115 LEU HA 1 116 ASN H 2.685 . 3.570 3.508 3.440 3.562 . 0 0 "[ . 1]" 1 1512 1 115 LEU HB3 1 116 ASN H 2.940 . 4.080 3.773 3.624 4.086 0.006 6 0 "[ . 1]" 1 1513 1 115 LEU QD 1 117 GLY H 3.510 . 5.220 4.876 4.234 5.035 . 0 0 "[ . 1]" 1 1514 1 115 LEU H 1 115 LEU QD 2.450 . 3.100 2.963 2.868 3.071 . 0 0 "[ . 1]" 1 1515 1 116 ASN HA 1 116 ASN QB 2.180 . 2.560 2.410 2.351 2.449 . 0 0 "[ . 1]" 1 1516 1 116 ASN HA 1 118 ASN H 3.190 . 4.580 4.467 4.293 4.588 0.008 4 0 "[ . 1]" 1 1517 1 116 ASN HA 1 117 GLY HA3 3.635 . 5.470 4.542 4.413 4.707 . 0 0 "[ . 1]" 1 1518 1 116 ASN HA 1 117 GLY HA2 3.635 . 5.470 5.143 5.037 5.276 . 0 0 "[ . 1]" 1 1519 1 116 ASN QB 1 118 ASN H 2.735 . 3.670 2.719 2.466 2.996 . 0 0 "[ . 1]" 1 1520 1 116 ASN QB 1 117 GLY H 2.805 . 3.810 2.968 2.735 3.235 . 0 0 "[ . 1]" 1 1521 1 116 ASN H 1 117 GLY H 2.565 . 3.330 2.462 2.382 2.561 . 0 0 "[ . 1]" 1 1522 1 116 ASN H 1 116 ASN QB 2.495 . 3.190 2.273 2.205 2.417 . 0 0 "[ . 1]" 1 1523 1 116 ASN H 1 118 ASN H 3.365 . 4.930 4.044 3.887 4.195 . 0 0 "[ . 1]" 1 1524 1 116 ASN H 1 118 ASN QB 3.505 . 5.210 5.116 4.846 5.273 0.063 5 0 "[ . 1]" 1 1525 1 116 ASN HA 1 117 GLY QA 3.255 . 4.710 4.257 4.158 4.392 . 0 0 "[ . 1]" 1 1526 1 116 ASN QB 1 117 GLY QA 3.150 . 4.500 4.193 4.107 4.337 . 0 0 "[ . 1]" 1 1527 1 117 GLY H 1 118 ASN H 2.685 . 3.570 2.500 2.368 2.633 . 0 0 "[ . 1]" 1 1528 1 117 GLY QA 1 119 LEU H 2.900 . 4.000 3.240 2.614 3.828 . 0 0 "[ . 1]" 1 1529 1 117 GLY QA 1 119 LEU MD1 2.635 . 3.470 2.915 2.316 3.729 0.259 7 0 "[ . 1]" 1 1530 1 118 ASN H 1 119 LEU HA 3.450 . 5.100 4.913 4.701 5.135 0.035 5 0 "[ . 1]" 1 1531 1 118 ASN HB3 1 119 LEU H 3.185 . 4.570 4.203 3.931 4.363 . 0 0 "[ . 1]" 1 1532 1 118 ASN H 1 119 LEU H 2.675 . 3.550 2.977 2.460 3.555 0.005 5 0 "[ . 1]" 1 1533 1 118 ASN HB2 1 119 LEU H 3.185 . 4.570 4.382 3.902 4.584 0.014 5 0 "[ . 1]" 1 1534 1 118 ASN H 1 118 ASN HB3 2.830 . 3.860 2.896 2.504 3.638 . 0 0 "[ . 1]" 1 1535 1 118 ASN HA 1 119 LEU H 2.645 . 3.490 2.758 2.430 3.013 . 0 0 "[ . 1]" 1 1536 1 118 ASN H 1 118 ASN HB2 2.830 . 3.860 2.567 2.285 2.751 . 0 0 "[ . 1]" 1 1537 1 118 ASN H 1 118 ASN QB 2.570 . 3.340 2.326 2.260 2.377 . 0 0 "[ . 1]" 1 1538 1 118 ASN QB 1 119 LEU H 2.880 . 3.960 3.802 3.622 3.971 0.011 5 0 "[ . 1]" 1 1539 1 119 LEU HA 1 119 LEU MD2 2.945 . 4.090 3.280 2.275 3.800 . 0 0 "[ . 1]" 1 1540 1 119 LEU HA 1 120 LYS H 2.610 . 3.420 2.010 1.844 2.162 . 0 0 "[ . 1]" 1 1541 1 119 LEU HB2 1 119 LEU MD1 2.935 . 4.070 3.130 3.107 3.148 . 0 0 "[ . 1]" 1 1542 1 119 LEU HB2 1 119 LEU MD2 2.935 . 4.070 2.334 2.252 2.518 . 0 0 "[ . 1]" 1 1543 1 119 LEU HB2 1 120 LYS H 3.310 . 4.820 3.782 3.026 4.304 . 0 0 "[ . 1]" 1 1544 1 119 LEU HA 1 119 LEU MD1 2.945 . 3.390 3.389 3.342 3.447 0.057 3 0 "[ . 1]" 1 1545 1 119 LEU MD2 1 120 LYS H 3.140 . 4.480 3.427 2.099 4.468 . 0 0 "[ . 1]" 1 1546 1 119 LEU H 1 120 LYS H 3.010 . 4.220 3.841 3.372 4.085 . 0 0 "[ . 1]" 1 1547 1 119 LEU H 1 119 LEU MD1 2.985 . 4.170 2.387 1.815 3.626 . 0 0 "[ . 1]" 1 1548 1 119 LEU H 1 119 LEU MD2 2.985 . 4.170 3.979 3.842 4.215 0.045 6 0 "[ . 1]" 1 1549 1 119 LEU H 1 120 LYS QG 3.210 . 4.620 4.694 4.633 4.757 0.137 6 0 "[ . 1]" 1 1550 1 119 LEU MD1 1 120 LYS H 3.140 . 3.750 3.804 3.319 4.041 0.291 8 0 "[ . 1]" 1 1551 1 119 LEU H 1 119 LEU HB3 2.415 . 3.030 2.853 2.545 3.086 0.056 5 0 "[ . 1]" 1 1552 1 119 LEU HB3 1 119 LEU MD1 2.350 . 2.900 2.458 2.158 2.623 . 0 0 "[ . 1]" 1 1553 1 119 LEU MD1 1 120 LYS HA 3.275 . 4.750 3.509 2.563 3.974 . 0 0 "[ . 1]" 1 1554 1 119 LEU MD2 1 120 LYS QB 3.540 . 5.280 4.454 4.139 5.021 . 0 0 "[ . 1]" 1 1555 1 120 LYS H 1 120 LYS QG 2.490 . 3.180 2.364 2.098 2.589 . 0 0 "[ . 1]" 1 1556 1 120 LYS H 1 121 VAL H 3.275 . 4.750 4.090 3.645 4.317 . 0 0 "[ . 1]" 1 1557 1 120 LYS HA 1 121 VAL H 2.535 . 3.270 2.151 1.970 2.305 . 0 0 "[ . 1]" 1 1558 1 120 LYS HA 1 121 VAL MG2 3.450 . 5.100 4.093 3.941 4.248 . 0 0 "[ . 1]" 1 1559 1 120 LYS QB 1 121 VAL H 2.645 . 3.490 3.348 3.125 3.564 0.074 8 0 "[ . 1]" 1 1560 1 121 VAL HA 1 122 ASP HA 3.650 . 5.500 4.332 4.272 4.403 . 0 0 "[ . 1]" 1 1561 1 121 VAL HA 1 122 ASP H 2.665 . 3.530 2.478 2.385 2.749 . 0 0 "[ . 1]" 1 1562 1 121 VAL HA 1 121 VAL MG2 2.710 . 3.080 3.152 3.146 3.164 0.084 2 0 "[ . 1]" 1 1563 1 121 VAL HA 1 121 VAL MG1 2.710 . 3.620 2.493 2.452 2.515 . 0 0 "[ . 1]" 1 1564 1 121 VAL H 1 121 VAL HB 2.795 . 3.790 3.797 3.721 3.854 0.064 9 0 "[ . 1]" 1 1565 1 121 VAL HB 1 122 ASP H 3.020 . 4.240 2.130 1.966 2.216 . 0 0 "[ . 1]" 1 1566 1 121 VAL H 1 122 ASP H 3.165 . 4.530 4.343 4.259 4.472 . 0 0 "[ . 1]" 1 1567 1 121 VAL MG1 1 122 ASP H 2.720 . 3.640 3.671 3.605 3.697 0.057 8 0 "[ . 1]" 1 1568 1 121 VAL MG2 1 122 ASP H 2.720 . 3.060 2.636 2.207 2.826 . 0 0 "[ . 1]" 1 1569 1 121 VAL H 1 121 VAL MG2 2.625 . 3.450 2.333 2.240 2.434 . 0 0 "[ . 1]" 1 1570 1 121 VAL MG2 1 122 ASP QB 2.990 . 4.180 4.325 4.269 4.364 0.184 10 0 "[ . 1]" 1 1571 1 122 ASP HA 1 123 PHE H 2.605 . 3.410 2.298 2.160 2.446 . 0 0 "[ . 1]" 1 1572 1 122 ASP H 1 122 ASP QB 2.595 . 3.390 2.700 2.526 2.939 . 0 0 "[ . 1]" 1 1573 1 122 ASP H 1 123 PHE H 3.305 . 4.810 4.380 4.178 4.495 . 0 0 "[ . 1]" 1 1574 1 122 ASP QB 1 123 PHE H 2.980 . 4.160 2.642 2.200 3.162 . 0 0 "[ . 1]" 1 1575 1 123 PHE H 1 124 MET HA 3.650 . 5.500 4.588 4.224 4.992 . 0 0 "[ . 1]" 1 1576 1 123 PHE H 1 123 PHE HB3 2.890 . 3.980 2.986 2.589 3.211 . 0 0 "[ . 1]" 1 1577 1 123 PHE H 1 123 PHE QD 3.195 . 4.590 4.448 4.247 4.541 . 0 0 "[ . 1]" 1 1578 1 123 PHE QD 1 124 MET H 2.970 . 4.140 2.923 2.627 3.294 . 0 0 "[ . 1]" 1 1579 1 123 PHE QD 1 125 GLU H 3.540 . 5.280 4.801 3.671 5.368 0.088 5 0 "[ . 1]" 1 1580 1 123 PHE H 1 123 PHE HB2 2.890 . 3.980 3.353 3.102 3.518 . 0 0 "[ . 1]" 1 1581 1 123 PHE HA 1 123 PHE QD 2.665 . 3.530 2.475 2.313 2.790 . 0 0 "[ . 1]" 1 1582 1 123 PHE QD 1 124 MET HA 3.650 . 5.500 4.581 4.407 4.727 . 0 0 "[ . 1]" 1 1583 1 123 PHE QB 1 124 MET H 3.035 . 4.270 3.366 2.812 3.717 . 0 0 "[ . 1]" 1 1584 1 124 MET HA 1 124 MET QG 2.765 . 3.730 2.958 2.409 3.580 . 0 0 "[ . 1]" 1 1585 1 124 MET HA 1 125 GLU HA 3.505 . 5.210 4.299 4.111 4.486 . 0 0 "[ . 1]" 1 1586 1 124 MET H 1 124 MET QB 2.730 . 3.660 2.652 2.409 3.188 . 0 0 "[ . 1]" 1 1587 1 124 MET H 1 124 MET QG 3.190 . 4.580 3.129 1.841 4.263 . 0 0 "[ . 1]" 1 1588 1 124 MET H 1 125 GLU H 3.270 . 4.740 4.279 4.013 4.500 . 0 0 "[ . 1]" 1 1589 1 124 MET QG 1 125 GLU H 3.235 . 4.670 3.772 2.579 4.504 . 0 0 "[ . 1]" 1 1590 1 125 GLU H 1 125 GLU HG2 3.570 . 5.340 3.592 1.986 4.501 . 0 0 "[ . 1]" 1 1591 1 125 GLU H 1 125 GLU HG3 3.570 . 5.340 3.637 1.979 4.638 . 0 0 "[ . 1]" 1 1592 1 125 GLU QB 1 126 THR HB 3.170 . 4.540 3.850 3.163 4.236 . 0 0 "[ . 1]" 1 1593 1 125 GLU HA 1 126 THR H 2.650 . 3.500 3.447 3.124 3.566 0.066 10 0 "[ . 1]" 1 1594 1 125 GLU H 1 125 GLU QB 2.715 . 3.630 2.550 2.125 3.380 . 0 0 "[ . 1]" 1 1595 1 125 GLU QB 1 126 THR H 2.775 . 3.750 2.195 1.748 2.779 0.052 1 0 "[ . 1]" 1 1596 1 125 GLU H 1 125 GLU QG 3.185 . 4.570 3.029 1.961 4.024 . 0 0 "[ . 1]" 1 1597 1 125 GLU QG 1 126 THR H 3.120 . 4.440 3.684 2.531 4.329 . 0 0 "[ . 1]" 1 1598 1 126 THR HA 1 126 THR MG 2.760 . 3.720 2.794 2.297 3.241 . 0 0 "[ . 1]" 1 1599 1 126 THR H 1 126 THR MG 2.945 . 4.090 3.103 2.048 3.997 . 0 0 "[ . 1]" 1 1600 1 126 THR MG 1 127 GLU H 3.650 . 5.500 3.229 1.774 3.963 0.026 9 0 "[ . 1]" 1 1601 1 126 THR HB 1 127 GLU H 3.650 . 5.500 3.930 3.290 4.448 . 0 0 "[ . 1]" 1 1602 1 127 GLU HA 1 127 GLU QB 2.375 . 2.950 2.399 2.228 2.512 . 0 0 "[ . 1]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 64 _Distance_constraint_stats_list.Viol_count 96 _Distance_constraint_stats_list.Viol_total 35.198 _Distance_constraint_stats_list.Viol_max 0.138 _Distance_constraint_stats_list.Viol_rms 0.0169 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0055 _Distance_constraint_stats_list.Viol_average_violations_only 0.0367 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 9 ARG 0.000 0.000 . 0 "[ . 1]" 1 12 THR 0.034 0.034 2 0 "[ . 1]" 1 13 ASP 0.081 0.038 7 0 "[ . 1]" 1 14 ASP 0.091 0.050 4 0 "[ . 1]" 1 15 VAL 0.000 0.000 . 0 "[ . 1]" 1 16 LYS 0.109 0.062 8 0 "[ . 1]" 1 17 SER 0.156 0.038 7 0 "[ . 1]" 1 18 ILE 0.091 0.050 4 0 "[ . 1]" 1 19 VAL 0.000 0.000 . 0 "[ . 1]" 1 20 ARG 0.087 0.062 8 0 "[ . 1]" 1 21 PHE 0.368 0.066 1 0 "[ . 1]" 1 22 VAL 0.000 0.000 . 0 "[ . 1]" 1 23 GLN 0.000 0.000 . 0 "[ . 1]" 1 24 GLU 0.012 0.007 6 0 "[ . 1]" 1 25 HIS 0.293 0.066 1 0 "[ . 1]" 1 45 MET 0.006 0.006 7 0 "[ . 1]" 1 46 ASN 0.115 0.064 8 0 "[ . 1]" 1 47 MET 0.050 0.040 6 0 "[ . 1]" 1 48 LEU 0.000 0.000 . 0 "[ . 1]" 1 49 VAL 0.031 0.018 5 0 "[ . 1]" 1 50 ASP 0.115 0.064 8 0 "[ . 1]" 1 51 ILE 0.050 0.040 6 0 "[ . 1]" 1 52 PHE 0.000 0.000 . 0 "[ . 1]" 1 53 LEU 0.025 0.018 5 0 "[ . 1]" 1 73 ARG 0.125 0.067 4 0 "[ . 1]" 1 74 HIS 0.377 0.081 8 0 "[ . 1]" 1 75 ASN 0.233 0.066 2 0 "[ . 1]" 1 76 ALA 0.031 0.030 8 0 "[ . 1]" 1 77 GLU 0.639 0.114 3 0 "[ . 1]" 1 78 ARG 0.452 0.081 8 0 "[ . 1]" 1 79 LEU 0.233 0.066 2 0 "[ . 1]" 1 80 PHE 0.243 0.057 5 0 "[ . 1]" 1 81 LYS 1.187 0.114 3 0 "[ . 1]" 1 82 LYS 0.075 0.024 2 0 "[ . 1]" 1 83 LEU 0.000 0.000 . 0 "[ . 1]" 1 84 ILE 0.212 0.057 5 0 "[ . 1]" 1 85 LEU 0.673 0.102 8 0 "[ . 1]" 1 90 ASP 0.060 0.028 10 0 "[ . 1]" 1 92 ASP 0.000 0.000 . 0 "[ . 1]" 1 94 TYR 0.178 0.138 4 0 "[ . 1]" 1 102 ILE 0.178 0.138 4 0 "[ . 1]" 1 104 TYR 0.000 0.000 . 0 "[ . 1]" 1 106 MET 0.060 0.028 10 0 "[ . 1]" 1 110 LYS 0.132 0.037 6 0 "[ . 1]" 1 111 ALA 0.053 0.024 3 0 "[ . 1]" 1 114 VAL 0.132 0.037 6 0 "[ . 1]" 1 115 LEU 0.053 0.024 3 0 "[ . 1]" 1 123 PHE 0.000 0.000 . 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 12 THR O 1 16 LYS N 2.800 2.400 3.300 2.776 2.614 3.142 . 0 0 "[ . 1]" 2 2 1 12 THR O 1 16 LYS H 1.800 . 2.300 1.956 1.754 2.334 0.034 2 0 "[ . 1]" 2 3 1 13 ASP O 1 17 SER N 2.800 2.400 3.300 2.996 2.660 3.245 . 0 0 "[ . 1]" 2 4 1 13 ASP O 1 17 SER H 1.800 . 2.300 2.088 1.721 2.338 0.038 7 0 "[ . 1]" 2 5 1 14 ASP O 1 18 ILE N 2.800 2.400 3.300 3.040 2.677 3.322 0.022 4 0 "[ . 1]" 2 6 1 14 ASP O 1 18 ILE H 1.800 . 2.300 2.104 1.756 2.350 0.050 4 0 "[ . 1]" 2 7 1 15 VAL O 1 19 VAL N 2.800 2.400 3.300 2.872 2.703 3.034 . 0 0 "[ . 1]" 2 8 1 15 VAL O 1 19 VAL H 1.800 . 2.300 1.923 1.772 2.141 . 0 0 "[ . 1]" 2 9 1 16 LYS O 1 20 ARG N 2.800 2.400 3.300 2.851 2.671 3.313 0.013 8 0 "[ . 1]" 2 10 1 16 LYS O 1 20 ARG H 1.800 . 2.300 1.911 1.720 2.362 0.062 8 0 "[ . 1]" 2 11 1 17 SER O 1 21 PHE N 2.800 2.400 3.300 3.086 2.898 3.282 . 0 0 "[ . 1]" 2 12 1 17 SER O 1 21 PHE H 1.800 . 2.300 2.164 1.949 2.333 0.033 9 0 "[ . 1]" 2 13 1 18 ILE O 1 22 VAL N 2.800 2.400 3.300 2.896 2.647 3.146 . 0 0 "[ . 1]" 2 14 1 18 ILE O 1 22 VAL H 1.800 . 2.300 1.948 1.722 2.201 . 0 0 "[ . 1]" 2 15 1 19 VAL O 1 23 GLN N 2.800 2.400 3.300 2.797 2.723 3.002 . 0 0 "[ . 1]" 2 16 1 19 VAL O 1 23 GLN H 1.800 . 2.300 1.839 1.766 2.026 . 0 0 "[ . 1]" 2 17 1 20 ARG O 1 24 GLU N 2.800 2.400 3.300 2.915 2.681 3.240 . 0 0 "[ . 1]" 2 18 1 20 ARG O 1 24 GLU H 1.800 . 2.300 1.968 1.697 2.307 0.007 6 0 "[ . 1]" 2 19 1 21 PHE O 1 25 HIS N 2.800 2.400 3.300 2.948 2.750 3.195 . 0 0 "[ . 1]" 2 20 1 21 PHE O 1 25 HIS H 1.800 . 2.300 2.273 2.041 2.366 0.066 1 0 "[ . 1]" 2 21 1 45 MET O 1 49 VAL N 2.800 2.400 3.300 3.055 2.935 3.215 . 0 0 "[ . 1]" 2 22 1 45 MET O 1 49 VAL H 1.800 . 2.300 2.186 1.983 2.306 0.006 7 0 "[ . 1]" 2 23 1 46 ASN O 1 50 ASP N 2.800 2.400 3.300 3.146 2.873 3.284 . 0 0 "[ . 1]" 2 24 1 46 ASN O 1 50 ASP H 1.800 . 2.300 2.216 1.945 2.364 0.064 8 0 "[ . 1]" 2 25 1 47 MET O 1 51 ILE N 2.800 2.400 3.300 3.023 2.797 3.261 . 0 0 "[ . 1]" 2 26 1 47 MET O 1 51 ILE H 1.800 . 2.300 2.081 1.846 2.340 0.040 6 0 "[ . 1]" 2 27 1 48 LEU O 1 52 PHE N 2.800 2.400 3.300 2.784 2.680 2.887 . 0 0 "[ . 1]" 2 28 1 48 LEU O 1 52 PHE H 1.800 . 2.300 1.893 1.757 2.139 . 0 0 "[ . 1]" 2 29 1 49 VAL O 1 53 LEU N 2.800 2.400 3.300 3.021 2.785 3.244 . 0 0 "[ . 1]" 2 30 1 49 VAL O 1 53 LEU H 1.800 . 2.300 2.081 1.846 2.318 0.018 5 0 "[ . 1]" 2 31 1 73 ARG O 1 77 GLU N 2.800 2.400 3.300 2.995 2.735 3.317 0.017 4 0 "[ . 1]" 2 32 1 73 ARG O 1 77 GLU H 1.800 . 2.300 2.047 1.768 2.367 0.067 4 0 "[ . 1]" 2 33 1 74 HIS O 1 78 ARG N 2.800 2.400 3.300 3.000 2.757 3.158 . 0 0 "[ . 1]" 2 34 1 74 HIS O 1 78 ARG H 1.800 . 2.300 2.266 1.895 2.381 0.081 8 0 "[ . 1]" 2 35 1 75 ASN O 1 79 LEU N 2.800 2.400 3.300 3.076 2.923 3.210 . 0 0 "[ . 1]" 2 36 1 75 ASN O 1 79 LEU H 1.800 . 2.300 2.296 2.130 2.366 0.066 2 0 "[ . 1]" 2 37 1 76 ALA O 1 80 PHE N 2.800 2.400 3.300 3.070 2.881 3.301 0.001 8 0 "[ . 1]" 2 38 1 76 ALA O 1 80 PHE H 1.800 . 2.300 2.104 1.898 2.330 0.030 8 0 "[ . 1]" 2 39 1 77 GLU O 1 81 LYS N 2.800 2.400 3.300 3.019 2.877 3.139 . 0 0 "[ . 1]" 2 40 1 77 GLU O 1 81 LYS H 1.800 . 2.300 2.350 2.288 2.414 0.114 3 0 "[ . 1]" 2 41 1 78 ARG O 1 82 LYS N 2.800 2.400 3.300 2.913 2.778 3.002 . 0 0 "[ . 1]" 2 42 1 78 ARG O 1 82 LYS H 1.800 . 2.300 2.246 2.007 2.324 0.024 2 0 "[ . 1]" 2 43 1 79 LEU O 1 83 LEU N 2.800 2.400 3.300 2.795 2.687 3.004 . 0 0 "[ . 1]" 2 44 1 79 LEU O 1 83 LEU H 1.800 . 2.300 1.822 1.717 2.051 . 0 0 "[ . 1]" 2 45 1 80 PHE O 1 84 ILE N 2.800 2.400 3.300 3.149 2.981 3.244 . 0 0 "[ . 1]" 2 46 1 80 PHE O 1 84 ILE H 1.800 . 2.300 2.307 2.166 2.357 0.057 5 0 "[ . 1]" 2 47 1 81 LYS O 1 85 LEU N 2.800 2.400 3.300 3.215 3.109 3.263 . 0 0 "[ . 1]" 2 48 1 81 LYS O 1 85 LEU H 1.800 . 2.300 2.367 2.332 2.402 0.102 8 0 "[ . 1]" 2 49 1 110 LYS O 1 114 VAL N 2.800 2.400 3.300 3.088 2.867 3.200 . 0 0 "[ . 1]" 2 50 1 110 LYS O 1 114 VAL H 1.800 . 2.300 2.277 2.055 2.337 0.037 6 0 "[ . 1]" 2 51 1 111 ALA O 1 115 LEU N 2.800 2.400 3.300 3.100 2.827 3.253 . 0 0 "[ . 1]" 2 52 1 111 ALA O 1 115 LEU H 1.800 . 2.300 2.193 1.922 2.324 0.024 3 0 "[ . 1]" 2 53 1 90 ASP O 1 106 MET H 2.000 . 2.500 2.315 2.061 2.528 0.028 10 0 "[ . 1]" 2 54 1 90 ASP O 1 106 MET N 3.000 2.300 3.500 3.051 2.849 3.203 . 0 0 "[ . 1]" 2 55 1 90 ASP N 1 106 MET O 3.000 2.300 3.500 2.977 2.796 3.368 . 0 0 "[ . 1]" 2 56 1 92 ASP O 1 104 TYR H 2.000 . 2.500 1.957 1.813 2.250 . 0 0 "[ . 1]" 2 57 1 92 ASP O 1 104 TYR N 3.000 2.300 3.500 2.884 2.765 3.134 . 0 0 "[ . 1]" 2 58 1 92 ASP N 1 104 TYR O 3.000 2.300 3.500 2.881 2.621 3.126 . 0 0 "[ . 1]" 2 59 1 94 TYR O 1 102 ILE H 2.000 . 2.500 1.922 1.717 2.638 0.138 4 0 "[ . 1]" 2 60 1 94 TYR O 1 102 ILE N 3.000 2.300 3.500 2.819 2.701 3.340 . 0 0 "[ . 1]" 2 61 1 94 TYR N 1 102 ILE O 3.000 2.300 3.500 2.959 2.763 3.417 . 0 0 "[ . 1]" 2 62 1 9 ARG O 1 123 PHE H 2.000 . 2.500 2.007 1.783 2.347 . 0 0 "[ . 1]" 2 63 1 9 ARG O 1 123 PHE N 3.000 2.300 3.500 2.867 2.743 3.106 . 0 0 "[ . 1]" 2 64 1 9 ARG N 1 123 PHE O 3.000 2.300 3.500 3.239 2.937 3.469 . 0 0 "[ . 1]" 2 stop_ save_
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