NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
432768 | 2jt8 | 15400 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jt8 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 1305 _Distance_constraint_stats_list.Viol_count 581 _Distance_constraint_stats_list.Viol_total 514.789 _Distance_constraint_stats_list.Viol_max 0.659 _Distance_constraint_stats_list.Viol_rms 0.0327 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0039 _Distance_constraint_stats_list.Viol_average_violations_only 0.0886 _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 ASP 0.166 0.032 5 0 "[ . 1]" 1 4 ILE 3.147 0.524 7 1 "[ . + 1]" 1 5 TYR 3.497 0.524 7 1 "[ . + 1]" 1 6 LYS 0.157 0.033 3 0 "[ . 1]" 1 7 ALA 0.879 0.388 7 0 "[ . 1]" 1 8 ALA 0.192 0.043 3 0 "[ . 1]" 1 9 VAL 0.007 0.007 2 0 "[ . 1]" 1 10 GLU 0.000 0.000 . 0 "[ . 1]" 1 11 GLN 0.053 0.035 1 0 "[ . 1]" 1 12 LEU 0.315 0.087 3 0 "[ . 1]" 1 13 THR 0.057 0.022 1 0 "[ . 1]" 1 14 GLU 0.013 0.013 3 0 "[ . 1]" 1 15 GLU 0.013 0.013 3 0 "[ . 1]" 1 16 GLN 0.051 0.022 1 0 "[ . 1]" 1 17 LYS 0.018 0.018 5 0 "[ . 1]" 1 18 ASN 0.257 0.116 4 0 "[ . 1]" 1 19 GLU 0.227 0.116 4 0 "[ . 1]" 1 20 PHE 4.874 0.459 7 0 "[ . 1]" 1 21 LYS 1.043 0.139 10 0 "[ . 1]" 1 22 ALA 0.004 0.004 6 0 "[ . 1]" 1 23 ALA 0.004 0.004 2 0 "[ . 1]" 1 24 PHE 0.036 0.024 5 0 "[ . 1]" 1 25 ASP 0.317 0.180 10 0 "[ . 1]" 1 26 ILE 1.374 0.436 10 0 "[ . 1]" 1 27 PHE 5.071 0.440 5 0 "[ . 1]" 1 28 VAL 0.439 0.193 5 0 "[ . 1]" 1 29 LEU 0.096 0.096 5 0 "[ . 1]" 1 30 GLY 0.000 0.000 . 0 "[ . 1]" 1 31 ALA 0.221 0.096 5 0 "[ . 1]" 1 32 GLU 0.003 0.003 5 0 "[ . 1]" 1 33 ASP 0.000 0.000 . 0 "[ . 1]" 1 34 GLY 0.000 0.000 . 0 "[ . 1]" 1 35 SER 0.363 0.193 5 0 "[ . 1]" 1 36 ILE 0.363 0.159 5 0 "[ . 1]" 1 38 THR 0.372 0.323 4 0 "[ . 1]" 1 39 LYS 0.285 0.177 4 0 "[ . 1]" 1 40 GLU 1.043 0.323 4 0 "[ . 1]" 1 41 LEU 0.145 0.133 4 0 "[ . 1]" 1 42 GLY 0.300 0.143 9 0 "[ . 1]" 1 43 LYS 0.304 0.143 9 0 "[ . 1]" 1 44 VAL 0.112 0.106 5 0 "[ . 1]" 1 45 MET 0.004 0.004 4 0 "[ . 1]" 1 46 ARG 0.003 0.002 10 0 "[ . 1]" 1 47 MET 0.404 0.298 4 0 "[ . 1]" 1 48 LEU 0.300 0.298 4 0 "[ . 1]" 1 49 GLY 0.000 0.000 . 0 "[ . 1]" 1 50 GLN 0.003 0.001 8 0 "[ . 1]" 1 51 ASN 0.000 0.000 . 0 "[ . 1]" 1 52 PRO 0.000 0.000 . 0 "[ . 1]" 1 53 THR 0.000 0.000 . 0 "[ . 1]" 1 54 PRO 0.000 0.000 . 0 "[ . 1]" 1 55 GLU 0.000 0.000 . 0 "[ . 1]" 1 56 GLU 0.001 0.001 1 0 "[ . 1]" 1 57 LEU 0.147 0.146 3 0 "[ . 1]" 1 58 GLN 0.008 0.007 4 0 "[ . 1]" 1 59 GLU 0.000 0.000 . 0 "[ . 1]" 1 60 MET 0.036 0.030 1 0 "[ . 1]" 1 61 ILE 0.019 0.011 1 0 "[ . 1]" 1 62 ASP 0.046 0.030 1 0 "[ . 1]" 1 63 GLU 0.006 0.003 9 0 "[ . 1]" 1 64 VAL 0.003 0.003 9 0 "[ . 1]" 1 65 ASP 0.000 0.000 . 0 "[ . 1]" 1 66 GLU 0.000 0.000 . 0 "[ . 1]" 1 67 ASP 0.000 0.000 . 0 "[ . 1]" 1 68 GLY 0.025 0.025 5 0 "[ . 1]" 1 69 SER 0.000 0.000 10 0 "[ . 1]" 1 70 GLY 0.025 0.025 5 0 "[ . 1]" 1 71 THR 0.000 0.000 10 0 "[ . 1]" 1 72 VAL 0.751 0.151 9 0 "[ . 1]" 1 73 ASP 0.001 0.001 1 0 "[ . 1]" 1 74 PHE 0.001 0.001 1 0 "[ . 1]" 1 75 ASP 0.000 0.000 . 0 "[ . 1]" 1 76 GLU 0.018 0.018 10 0 "[ . 1]" 1 77 PHE 0.014 0.014 2 0 "[ . 1]" 1 78 LEU 0.096 0.044 1 0 "[ . 1]" 1 79 VAL 0.505 0.163 8 0 "[ . 1]" 1 80 MET 0.021 0.013 5 0 "[ . 1]" 1 81 MET 0.000 0.000 . 0 "[ . 1]" 1 82 VAL 0.264 0.055 5 0 "[ . 1]" 1 83 ARG 0.094 0.026 7 0 "[ . 1]" 1 84 SER 0.024 0.013 5 0 "[ . 1]" 1 85 MET 0.348 0.144 9 0 "[ . 1]" 1 86 LYS 0.568 0.144 9 0 "[ . 1]" 1 87 ASP 0.101 0.063 1 0 "[ . 1]" 1 88 ASP 0.000 0.000 . 0 "[ . 1]" 1 89 SER 0.100 0.062 8 0 "[ . 1]" 1 90 LYS 0.100 0.062 8 0 "[ . 1]" 1 91 GLY 0.000 0.000 . 0 "[ . 1]" 1 92 LYS 0.022 0.010 3 0 "[ . 1]" 1 93 SER 0.022 0.010 3 0 "[ . 1]" 1 94 GLU 0.036 0.018 3 0 "[ . 1]" 1 95 GLU 0.077 0.077 6 0 "[ . 1]" 1 96 GLU 0.077 0.077 6 0 "[ . 1]" 1 97 LEU 1.551 0.210 2 0 "[ . 1]" 1 98 SER 0.025 0.012 4 0 "[ . 1]" 1 99 ASP 0.095 0.040 2 0 "[ . 1]" 1 100 LEU 0.007 0.007 4 0 "[ . 1]" 1 101 PHE 1.317 0.115 3 0 "[ . 1]" 1 102 ARG 1.348 0.115 3 0 "[ . 1]" 1 103 MET 0.000 0.000 . 0 "[ . 1]" 1 104 PHE 6.559 0.659 5 10 [***-+*****] 1 105 ASP 0.043 0.037 5 0 "[ . 1]" 1 106 LYS 0.043 0.017 10 0 "[ . 1]" 1 107 ASN 0.053 0.037 5 0 "[ . 1]" 1 108 ALA 0.006 0.006 4 0 "[ . 1]" 1 109 ASP 0.016 0.016 3 0 "[ . 1]" 1 110 GLY 0.000 0.000 . 0 "[ . 1]" 1 111 TYR 6.474 0.246 8 0 "[ . 1]" 1 112 ILE 2.699 0.205 5 0 "[ . 1]" 1 113 ASP 0.030 0.030 9 0 "[ . 1]" 1 114 LEU 3.078 0.467 10 0 "[ . 1]" 1 115 ASP 2.877 0.467 10 0 "[ . 1]" 1 116 GLU 0.295 0.233 10 0 "[ . 1]" 1 117 LEU 1.537 0.292 10 0 "[ . 1]" 1 118 LYS 1.765 0.292 10 0 "[ . 1]" 1 119 ILE 0.660 0.242 10 0 "[ . 1]" 1 120 MET 0.005 0.005 8 0 "[ . 1]" 1 121 LEU 0.010 0.007 4 0 "[ . 1]" 1 122 GLN 0.112 0.046 10 0 "[ . 1]" 1 123 ALA 0.056 0.020 4 0 "[ . 1]" 1 124 THR 0.025 0.018 10 0 "[ . 1]" 1 125 GLY 0.000 0.000 . 0 "[ . 1]" 1 126 GLU 0.004 0.004 7 0 "[ . 1]" 1 127 THR 0.048 0.026 10 0 "[ . 1]" 1 128 ILE 0.058 0.026 10 0 "[ . 1]" 1 129 THR 0.012 0.010 8 0 "[ . 1]" 1 130 GLU 0.193 0.139 5 0 "[ . 1]" 1 131 ASP 0.054 0.054 5 0 "[ . 1]" 1 132 ASP 0.338 0.087 4 0 "[ . 1]" 1 133 ILE 0.592 0.087 4 0 "[ . 1]" 1 134 GLU 0.102 0.034 8 0 "[ . 1]" 1 135 GLU 0.000 0.000 . 0 "[ . 1]" 1 136 LEU 0.165 0.124 6 0 "[ . 1]" 1 137 MET 0.715 0.124 6 0 "[ . 1]" 1 138 LYS 0.138 0.061 4 0 "[ . 1]" 1 139 ASP 0.138 0.061 4 0 "[ . 1]" 1 140 GLY 0.042 0.019 2 0 "[ . 1]" 1 141 ASP 0.227 0.119 3 0 "[ . 1]" 1 142 LYS 0.146 0.092 10 0 "[ . 1]" 1 143 ASN 0.717 0.197 8 0 "[ . 1]" 1 144 ASN 0.465 0.158 8 0 "[ . 1]" 1 145 ASP 0.080 0.038 10 0 "[ . 1]" 1 146 GLY 0.061 0.044 9 0 "[ . 1]" 1 147 ARG 0.497 0.218 8 0 "[ . 1]" 1 148 ILE 0.321 0.119 3 0 "[ . 1]" 1 149 ASP 0.223 0.047 6 0 "[ . 1]" 1 150 TYR 0.751 0.120 8 0 "[ . 1]" 1 151 ASP 0.843 0.207 8 0 "[ . 1]" 1 152 GLU 0.905 0.207 8 0 "[ . 1]" 1 154 LEU 1.253 0.210 2 0 "[ . 1]" 1 155 GLU 0.169 0.064 2 0 "[ . 1]" 1 156 PHE 4.129 0.261 1 0 "[ . 1]" 1 157 MET 2.373 0.261 1 0 "[ . 1]" 1 158 LYS 0.892 0.210 2 0 "[ . 1]" 1 159 GLY 0.651 0.210 2 0 "[ . 1]" 1 160 VAL 0.004 0.002 2 0 "[ . 1]" 1 161 GLU 0.002 0.002 7 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 ASP H 1 3 ASP QB . . 3.590 2.289 2.054 2.668 . 0 0 "[ . 1]" 1 2 1 3 ASP H 1 4 ILE H . . 4.130 2.598 2.395 2.885 . 0 0 "[ . 1]" 1 3 1 3 ASP HA 1 4 ILE MG . . 5.770 4.726 4.159 5.321 . 0 0 "[ . 1]" 1 4 1 3 ASP QB 1 4 ILE H . . 3.630 2.796 2.332 3.662 0.032 5 0 "[ . 1]" 1 5 1 3 ASP QB 1 4 ILE MG . . 4.340 3.691 2.200 4.336 . 0 0 "[ . 1]" 1 6 1 3 ASP QB 1 5 TYR H . . 4.940 3.935 2.364 4.943 0.003 5 0 "[ . 1]" 1 7 1 3 ASP QB 1 6 LYS QB . . 4.360 3.759 2.609 4.383 0.023 2 0 "[ . 1]" 1 8 1 3 ASP QB 1 6 LYS QD . . 4.370 4.061 3.356 4.362 . 0 0 "[ . 1]" 1 9 1 3 ASP HB2 1 4 ILE H . . 4.210 3.259 2.439 4.004 . 0 0 "[ . 1]" 1 10 1 3 ASP HB2 1 4 ILE HA . . 6.000 4.938 4.308 5.586 . 0 0 "[ . 1]" 1 11 1 3 ASP HB2 1 5 TYR H . . 5.750 4.812 3.433 5.682 . 0 0 "[ . 1]" 1 12 1 3 ASP HB2 1 7 ALA H . . 6.000 5.477 4.324 6.014 0.014 2 0 "[ . 1]" 1 13 1 3 ASP HB3 1 4 ILE H . . 4.210 3.270 2.423 4.239 0.029 5 0 "[ . 1]" 1 14 1 3 ASP HB3 1 4 ILE HA . . 6.000 4.538 3.960 5.720 . 0 0 "[ . 1]" 1 15 1 3 ASP HB3 1 5 TYR H . . 5.750 4.291 2.409 5.729 . 0 0 "[ . 1]" 1 16 1 3 ASP HB3 1 7 ALA H . . 6.000 4.973 3.525 6.014 0.014 5 0 "[ . 1]" 1 17 1 4 ILE H 1 4 ILE HB . . 3.990 3.558 2.709 3.950 . 0 0 "[ . 1]" 1 18 1 4 ILE H 1 4 ILE MD . . 4.720 3.181 1.880 4.809 0.089 7 0 "[ . 1]" 1 19 1 4 ILE H 1 4 ILE MG . . 3.970 2.514 1.909 3.877 . 0 0 "[ . 1]" 1 20 1 4 ILE H 1 5 TYR H . . 3.790 2.611 1.845 3.228 . 0 0 "[ . 1]" 1 21 1 4 ILE H 1 7 ALA H . . 5.070 4.557 3.646 5.119 0.049 7 0 "[ . 1]" 1 22 1 4 ILE HA 1 4 ILE MD . . 4.360 3.396 2.074 4.087 . 0 0 "[ . 1]" 1 23 1 4 ILE HA 1 4 ILE MG . . 3.550 2.577 2.163 3.191 . 0 0 "[ . 1]" 1 24 1 4 ILE HA 1 7 ALA H . . 4.360 4.088 3.411 4.368 0.008 8 0 "[ . 1]" 1 25 1 4 ILE HA 1 7 ALA MB . . 3.730 3.338 2.538 3.689 . 0 0 "[ . 1]" 1 26 1 4 ILE HB 1 4 ILE MD . . 3.530 2.707 2.060 3.221 . 0 0 "[ . 1]" 1 27 1 4 ILE HB 1 5 TYR QE . . 4.230 4.247 3.752 4.754 0.524 7 1 "[ . + 1]" 1 28 1 4 ILE MD 1 5 TYR HD1 . . 5.150 4.206 3.315 5.223 0.073 6 0 "[ . 1]" 1 29 1 4 ILE MD 1 5 TYR QE . . 4.600 3.464 2.293 4.728 0.128 6 0 "[ . 1]" 1 30 1 4 ILE MD 1 7 ALA H . . 6.000 5.812 5.009 6.388 0.388 7 0 "[ . 1]" 1 31 1 4 ILE MG 1 5 TYR H . . 4.220 3.503 1.914 4.291 0.071 9 0 "[ . 1]" 1 32 1 4 ILE MG 1 5 TYR HA . . 6.000 4.885 2.794 5.579 . 0 0 "[ . 1]" 1 33 1 4 ILE MG 1 5 TYR HD1 . . 5.190 4.371 2.002 5.263 0.073 10 0 "[ . 1]" 1 34 1 4 ILE MG 1 5 TYR QE . . 4.880 4.125 2.404 4.951 0.071 9 0 "[ . 1]" 1 35 1 5 TYR H 1 5 TYR HB2 . . 3.730 2.644 2.508 2.778 . 0 0 "[ . 1]" 1 36 1 5 TYR H 1 5 TYR QB . . 3.120 2.590 2.469 2.710 . 0 0 "[ . 1]" 1 37 1 5 TYR H 1 5 TYR HB3 . . 3.730 3.711 3.594 3.803 0.073 9 0 "[ . 1]" 1 38 1 5 TYR H 1 5 TYR HD1 . . 3.740 3.580 3.043 3.810 0.070 10 0 "[ . 1]" 1 39 1 5 TYR H 1 5 TYR QE . . 4.920 4.746 4.241 5.148 0.228 9 0 "[ . 1]" 1 40 1 5 TYR H 1 6 LYS H . . 3.190 2.154 1.845 2.533 . 0 0 "[ . 1]" 1 41 1 5 TYR H 1 6 LYS QB . . 4.950 3.962 3.602 4.310 . 0 0 "[ . 1]" 1 42 1 5 TYR HA 1 5 TYR HD1 . . 3.020 2.102 1.952 2.345 . 0 0 "[ . 1]" 1 43 1 5 TYR HA 1 5 TYR QE . . 4.850 4.436 4.302 4.647 . 0 0 "[ . 1]" 1 44 1 5 TYR HA 1 7 ALA H . . 4.290 3.967 3.605 4.304 0.014 5 0 "[ . 1]" 1 45 1 5 TYR HA 1 8 ALA H . . 3.950 3.549 3.374 3.931 . 0 0 "[ . 1]" 1 46 1 5 TYR HA 1 8 ALA MB . . 3.650 3.099 2.544 3.422 . 0 0 "[ . 1]" 1 47 1 5 TYR HA 1 9 VAL H . . 5.040 4.475 4.030 5.038 . 0 0 "[ . 1]" 1 48 1 5 TYR QB 1 5 TYR HD1 . . 3.020 2.914 2.860 2.979 . 0 0 "[ . 1]" 1 49 1 5 TYR QB 1 6 LYS H . . 3.720 2.710 1.975 2.981 . 0 0 "[ . 1]" 1 50 1 5 TYR QB 1 79 VAL MG1 . . 4.370 2.407 1.905 3.348 . 0 0 "[ . 1]" 1 51 1 5 TYR QB 1 79 VAL MG2 . . 3.820 3.443 1.923 3.983 0.163 8 0 "[ . 1]" 1 52 1 5 TYR HD1 1 6 LYS H . . 5.010 4.967 4.884 5.043 0.033 3 0 "[ . 1]" 1 53 1 5 TYR HD1 1 8 ALA MB . . 4.450 4.339 3.905 4.472 0.022 3 0 "[ . 1]" 1 54 1 5 TYR HD1 1 82 VAL MG2 . . 3.930 2.712 1.921 3.679 . 0 0 "[ . 1]" 1 55 1 5 TYR QE 1 83 ARG HA . . 5.700 4.450 2.160 5.706 0.006 3 0 "[ . 1]" 1 56 1 6 LYS H 1 6 LYS QB . . 2.900 2.254 2.154 2.481 . 0 0 "[ . 1]" 1 57 1 6 LYS H 1 6 LYS QG . . 4.400 3.567 2.169 4.028 . 0 0 "[ . 1]" 1 58 1 6 LYS HA 1 6 LYS QD . . 4.100 3.709 3.045 4.100 0.000 3 0 "[ . 1]" 1 59 1 6 LYS HA 1 8 ALA H . . 4.650 4.396 4.092 4.664 0.014 3 0 "[ . 1]" 1 60 1 6 LYS HA 1 9 VAL H . . 4.190 3.607 3.405 3.871 . 0 0 "[ . 1]" 1 61 1 6 LYS QB 1 6 LYS QE . . 4.360 3.325 2.568 3.618 . 0 0 "[ . 1]" 1 62 1 6 LYS QB 1 7 ALA H . . 3.410 2.955 2.714 3.198 . 0 0 "[ . 1]" 1 63 1 6 LYS QE 1 6 LYS QG . . 3.230 2.099 1.982 2.341 . 0 0 "[ . 1]" 1 64 1 7 ALA H 1 7 ALA MB . . 2.900 2.166 2.052 2.242 . 0 0 "[ . 1]" 1 65 1 7 ALA H 1 8 ALA H . . 3.400 2.540 2.336 2.786 . 0 0 "[ . 1]" 1 66 1 7 ALA MB 1 8 ALA H . . 3.410 2.622 2.334 2.877 . 0 0 "[ . 1]" 1 67 1 7 ALA MB 1 9 VAL H . . 5.250 4.582 4.203 4.906 . 0 0 "[ . 1]" 1 68 1 7 ALA MB 1 10 GLU H . . 5.260 4.667 4.436 4.746 . 0 0 "[ . 1]" 1 69 1 8 ALA H 1 8 ALA MB . . 3.040 2.131 2.027 2.247 . 0 0 "[ . 1]" 1 70 1 8 ALA H 1 9 VAL H . . 3.340 2.643 2.441 2.946 . 0 0 "[ . 1]" 1 71 1 8 ALA H 1 11 GLN QG . . 5.810 5.246 4.369 5.773 . 0 0 "[ . 1]" 1 72 1 8 ALA H 1 82 VAL HB . . 4.500 4.468 4.345 4.543 0.043 3 0 "[ . 1]" 1 73 1 8 ALA HA 1 11 GLN H . . 4.060 3.560 3.211 3.917 . 0 0 "[ . 1]" 1 74 1 8 ALA HA 1 11 GLN QB . . 4.470 4.193 3.211 4.505 0.035 1 0 "[ . 1]" 1 75 1 8 ALA HA 1 11 GLN QG . . 3.680 2.967 2.282 3.682 0.002 6 0 "[ . 1]" 1 76 1 8 ALA MB 1 9 VAL H . . 3.570 2.591 2.181 2.931 . 0 0 "[ . 1]" 1 77 1 8 ALA MB 1 10 GLU H . . 4.690 4.316 4.137 4.609 . 0 0 "[ . 1]" 1 78 1 8 ALA MB 1 11 GLN H . . 4.910 4.501 4.194 4.763 . 0 0 "[ . 1]" 1 79 1 8 ALA MB 1 82 VAL HB . . 3.790 2.416 1.957 3.599 . 0 0 "[ . 1]" 1 80 1 8 ALA MB 1 82 VAL MG1 . . 3.090 2.180 1.751 2.801 . 0 0 "[ . 1]" 1 81 1 9 VAL H 1 9 VAL HB . . 3.130 2.550 2.406 2.684 . 0 0 "[ . 1]" 1 82 1 9 VAL H 1 9 VAL MG1 . . 3.980 3.150 2.116 3.766 . 0 0 "[ . 1]" 1 83 1 9 VAL H 1 9 VAL MG2 . . 3.980 2.771 1.986 3.764 . 0 0 "[ . 1]" 1 84 1 9 VAL H 1 10 GLU H . . 3.400 2.723 2.631 2.814 . 0 0 "[ . 1]" 1 85 1 9 VAL H 1 11 GLN H . . 4.680 4.402 4.123 4.687 0.007 2 0 "[ . 1]" 1 86 1 9 VAL H 1 12 LEU QB . . 5.650 4.600 3.842 5.578 . 0 0 "[ . 1]" 1 87 1 9 VAL HA 1 9 VAL MG1 . . 3.330 2.667 2.236 3.203 . 0 0 "[ . 1]" 1 88 1 9 VAL HA 1 9 VAL MG2 . . 3.330 2.305 2.187 2.380 . 0 0 "[ . 1]" 1 89 1 9 VAL HA 1 11 GLN H . . 4.830 4.106 3.562 4.362 . 0 0 "[ . 1]" 1 90 1 9 VAL HA 1 12 LEU H . . 5.020 3.248 2.800 3.715 . 0 0 "[ . 1]" 1 91 1 9 VAL HA 1 12 LEU HG . . 4.090 2.913 2.010 3.693 . 0 0 "[ . 1]" 1 92 1 9 VAL HB 1 10 GLU H . . 4.090 3.335 2.628 4.089 . 0 0 "[ . 1]" 1 93 1 10 GLU H 1 10 GLU QG . . 3.950 2.919 2.024 3.949 . 0 0 "[ . 1]" 1 94 1 10 GLU H 1 11 GLN H . . 3.330 2.700 2.531 2.880 . 0 0 "[ . 1]" 1 95 1 10 GLU H 1 12 LEU QB . . 5.640 4.600 4.332 5.137 . 0 0 "[ . 1]" 1 96 1 10 GLU HA 1 10 GLU QB . . 2.600 2.437 2.307 2.529 . 0 0 "[ . 1]" 1 97 1 10 GLU HA 1 10 GLU QG . . 2.870 2.349 2.134 2.537 . 0 0 "[ . 1]" 1 98 1 10 GLU HA 1 12 LEU H . . 4.500 4.041 3.832 4.300 . 0 0 "[ . 1]" 1 99 1 10 GLU QB 1 11 GLN H . . 4.010 2.692 2.428 3.056 . 0 0 "[ . 1]" 1 100 1 11 GLN H 1 11 GLN HB2 . . 3.830 3.381 2.568 3.796 . 0 0 "[ . 1]" 1 101 1 11 GLN H 1 11 GLN QB . . 3.310 2.637 2.412 2.929 . 0 0 "[ . 1]" 1 102 1 11 GLN H 1 11 GLN HB3 . . 3.830 3.014 2.450 3.750 . 0 0 "[ . 1]" 1 103 1 11 GLN H 1 11 GLN QG . . 3.380 2.320 2.120 2.524 . 0 0 "[ . 1]" 1 104 1 11 GLN HA 1 11 GLN QG . . 3.450 3.104 2.506 3.384 . 0 0 "[ . 1]" 1 105 1 11 GLN QB 1 12 LEU H . . 4.360 3.713 2.822 4.046 . 0 0 "[ . 1]" 1 106 1 11 GLN QG 1 12 LEU H . . 4.750 3.320 2.246 4.379 . 0 0 "[ . 1]" 1 107 1 12 LEU H 1 12 LEU HB2 . . 3.920 2.497 2.067 3.409 . 0 0 "[ . 1]" 1 108 1 12 LEU H 1 12 LEU QB . . 3.360 2.188 2.049 2.418 . 0 0 "[ . 1]" 1 109 1 12 LEU H 1 12 LEU HB3 . . 3.920 3.131 2.431 3.494 . 0 0 "[ . 1]" 1 110 1 12 LEU H 1 12 LEU HG . . 4.000 3.900 3.314 4.087 0.087 3 0 "[ . 1]" 1 111 1 12 LEU H 1 13 THR H . . 4.750 4.448 4.132 4.623 . 0 0 "[ . 1]" 1 112 1 12 LEU HA 1 12 LEU MD1 . . 4.760 2.592 2.199 3.784 . 0 0 "[ . 1]" 1 113 1 12 LEU HA 1 12 LEU MD2 . . 4.760 2.745 2.073 3.979 . 0 0 "[ . 1]" 1 114 1 12 LEU HA 1 13 THR H . . 3.060 2.251 2.140 2.566 . 0 0 "[ . 1]" 1 115 1 12 LEU QB 1 13 THR H . . 3.950 3.194 2.106 3.849 . 0 0 "[ . 1]" 1 116 1 12 LEU HB2 1 12 LEU MD1 . . 3.620 2.729 2.112 3.177 . 0 0 "[ . 1]" 1 117 1 12 LEU HB2 1 12 LEU MD2 . . 3.620 2.558 2.300 3.189 . 0 0 "[ . 1]" 1 118 1 12 LEU HB2 1 13 THR H . . 4.710 4.133 3.613 4.558 . 0 0 "[ . 1]" 1 119 1 12 LEU HB3 1 12 LEU MD1 . . 3.620 2.566 2.156 3.194 . 0 0 "[ . 1]" 1 120 1 12 LEU HB3 1 12 LEU MD2 . . 3.620 2.734 2.184 3.194 . 0 0 "[ . 1]" 1 121 1 12 LEU HB3 1 13 THR H . . 4.710 3.457 2.120 4.511 . 0 0 "[ . 1]" 1 122 1 13 THR H 1 13 THR MG . . 3.110 2.427 1.918 3.119 0.009 3 0 "[ . 1]" 1 123 1 13 THR H 1 16 GLN H . . 4.890 4.475 4.015 4.912 0.022 1 0 "[ . 1]" 1 124 1 13 THR HA 1 13 THR MG . . 3.230 2.805 2.021 3.193 . 0 0 "[ . 1]" 1 125 1 13 THR HA 1 14 GLU H . . 3.160 2.206 2.163 2.400 . 0 0 "[ . 1]" 1 126 1 13 THR HA 1 14 GLU QB . . 4.690 4.467 4.268 4.637 . 0 0 "[ . 1]" 1 127 1 13 THR HA 1 14 GLU QG . . 5.140 3.964 3.551 4.414 . 0 0 "[ . 1]" 1 128 1 13 THR HA 1 15 GLU H . . 4.710 3.821 3.640 4.088 . 0 0 "[ . 1]" 1 129 1 13 THR HA 1 16 GLN H . . 5.020 4.929 4.746 5.029 0.009 5 0 "[ . 1]" 1 130 1 13 THR MG 1 14 GLU H . . 4.220 3.822 3.361 3.995 . 0 0 "[ . 1]" 1 131 1 13 THR MG 1 15 GLU H . . 4.500 3.454 2.981 4.122 . 0 0 "[ . 1]" 1 132 1 13 THR MG 1 15 GLU QG . . 3.830 3.488 3.042 3.830 . 0 0 "[ . 1]" 1 133 1 13 THR MG 1 16 GLN H . . 4.790 3.142 1.920 4.794 0.004 2 0 "[ . 1]" 1 134 1 14 GLU H 1 14 GLU QB . . 3.070 2.562 2.326 2.679 . 0 0 "[ . 1]" 1 135 1 14 GLU H 1 14 GLU QG . . 3.800 2.198 1.977 2.551 . 0 0 "[ . 1]" 1 136 1 14 GLU H 1 15 GLU H . . 3.630 2.615 2.428 2.770 . 0 0 "[ . 1]" 1 137 1 14 GLU QB 1 15 GLU H . . 3.600 3.380 2.706 3.613 0.013 3 0 "[ . 1]" 1 138 1 14 GLU QG 1 15 GLU H . . 4.050 2.737 2.146 4.012 . 0 0 "[ . 1]" 1 139 1 15 GLU H 1 15 GLU QG . . 3.760 2.242 1.930 2.676 . 0 0 "[ . 1]" 1 140 1 15 GLU H 1 16 GLN H . . 3.400 2.796 2.602 2.952 . 0 0 "[ . 1]" 1 141 1 15 GLU HA 1 18 ASN HB2 . . 4.610 3.912 3.168 4.314 . 0 0 "[ . 1]" 1 142 1 15 GLU HA 1 18 ASN HB3 . . 4.610 4.158 3.573 4.580 . 0 0 "[ . 1]" 1 143 1 15 GLU QB 1 16 GLN H . . 3.740 2.683 2.141 3.582 . 0 0 "[ . 1]" 1 144 1 16 GLN H 1 16 GLN QB . . 3.490 2.385 2.233 2.477 . 0 0 "[ . 1]" 1 145 1 16 GLN H 1 16 GLN HG2 . . 3.020 2.380 2.248 2.680 . 0 0 "[ . 1]" 1 146 1 16 GLN H 1 16 GLN HG3 . . 4.200 3.635 3.302 3.850 . 0 0 "[ . 1]" 1 147 1 16 GLN H 1 17 LYS H . . 3.430 2.559 2.453 2.719 . 0 0 "[ . 1]" 1 148 1 16 GLN HA 1 16 GLN HG2 . . 4.070 3.741 3.670 3.821 . 0 0 "[ . 1]" 1 149 1 16 GLN HA 1 16 GLN HG3 . . 4.040 3.727 3.637 3.801 . 0 0 "[ . 1]" 1 150 1 16 GLN HA 1 19 GLU H . . 3.960 3.091 2.957 3.315 . 0 0 "[ . 1]" 1 151 1 16 GLN HA 1 20 PHE HB3 . . 5.780 5.176 4.368 5.783 0.003 8 0 "[ . 1]" 1 152 1 16 GLN QB 1 19 GLU H . . 5.210 4.527 4.387 4.799 . 0 0 "[ . 1]" 1 153 1 16 GLN HG3 1 17 LYS H . . 3.600 2.809 2.467 3.042 . 0 0 "[ . 1]" 1 154 1 16 GLN HG3 1 18 ASN H . . 5.610 5.031 4.638 5.237 . 0 0 "[ . 1]" 1 155 1 16 GLN HG3 1 20 PHE QD . . 5.310 4.853 4.447 5.170 . 0 0 "[ . 1]" 1 156 1 17 LYS H 1 17 LYS QB . . 3.120 2.190 2.118 2.247 . 0 0 "[ . 1]" 1 157 1 17 LYS H 1 17 LYS QD . . 4.730 4.383 4.085 4.679 . 0 0 "[ . 1]" 1 158 1 17 LYS H 1 17 LYS QE . . 6.000 5.095 4.306 5.940 . 0 0 "[ . 1]" 1 159 1 17 LYS H 1 17 LYS QG . . 4.420 3.911 3.759 4.024 . 0 0 "[ . 1]" 1 160 1 17 LYS H 1 18 ASN QB . . 5.810 4.475 4.302 4.604 . 0 0 "[ . 1]" 1 161 1 17 LYS HA 1 17 LYS QG . . 3.650 2.333 2.084 2.509 . 0 0 "[ . 1]" 1 162 1 17 LYS HA 1 20 PHE H . . 4.230 3.943 3.725 4.084 . 0 0 "[ . 1]" 1 163 1 17 LYS HA 1 20 PHE HB3 . . 5.280 4.754 3.707 5.298 0.018 5 0 "[ . 1]" 1 164 1 17 LYS HA 1 20 PHE QD . . 4.170 2.818 2.474 3.038 . 0 0 "[ . 1]" 1 165 1 17 LYS QB 1 17 LYS QE . . 4.340 2.704 2.212 3.654 . 0 0 "[ . 1]" 1 166 1 17 LYS QB 1 18 ASN H . . 3.300 2.741 2.585 2.981 . 0 0 "[ . 1]" 1 167 1 17 LYS QB 1 18 ASN QB . . 4.580 3.800 3.631 3.891 . 0 0 "[ . 1]" 1 168 1 17 LYS QB 1 20 PHE QD . . 5.390 4.592 4.291 4.778 . 0 0 "[ . 1]" 1 169 1 17 LYS QG 1 20 PHE QD . . 4.270 3.938 3.562 4.182 . 0 0 "[ . 1]" 1 170 1 18 ASN H 1 18 ASN HB2 . . 3.600 2.344 2.213 2.434 . 0 0 "[ . 1]" 1 171 1 18 ASN H 1 18 ASN QB . . 3.050 2.238 2.161 2.286 . 0 0 "[ . 1]" 1 172 1 18 ASN H 1 18 ASN HB3 . . 3.600 2.864 2.738 3.026 . 0 0 "[ . 1]" 1 173 1 18 ASN H 1 19 GLU H . . 3.290 2.343 2.284 2.375 . 0 0 "[ . 1]" 1 174 1 18 ASN H 1 19 GLU QG . . 5.810 5.194 3.776 5.926 0.116 4 0 "[ . 1]" 1 175 1 18 ASN HA 1 20 PHE H . . 5.000 4.667 4.582 4.835 . 0 0 "[ . 1]" 1 176 1 18 ASN HA 1 21 LYS HB2 . . 4.500 2.727 1.958 4.515 0.015 7 0 "[ . 1]" 1 177 1 18 ASN HA 1 21 LYS QB . . 3.950 2.357 1.944 3.314 . 0 0 "[ . 1]" 1 178 1 18 ASN HA 1 21 LYS HB3 . . 4.500 3.343 3.307 3.410 . 0 0 "[ . 1]" 1 179 1 18 ASN QB 1 19 GLU H . . 3.440 2.977 2.945 3.018 . 0 0 "[ . 1]" 1 180 1 18 ASN HB2 1 19 GLU H . . 3.940 3.814 3.679 3.927 . 0 0 "[ . 1]" 1 181 1 18 ASN HB3 1 19 GLU H . . 3.940 3.110 3.056 3.204 . 0 0 "[ . 1]" 1 182 1 19 GLU H 1 19 GLU QG . . 4.000 3.418 2.376 3.919 . 0 0 "[ . 1]" 1 183 1 19 GLU H 1 20 PHE H . . 3.540 2.642 2.394 2.752 . 0 0 "[ . 1]" 1 184 1 19 GLU H 1 20 PHE QD . . 4.690 3.679 3.647 3.716 . 0 0 "[ . 1]" 1 185 1 19 GLU H 1 21 LYS H . . 4.840 3.722 3.563 3.816 . 0 0 "[ . 1]" 1 186 1 19 GLU H 1 21 LYS QB . . 4.940 4.352 4.126 4.868 . 0 0 "[ . 1]" 1 187 1 19 GLU HA 1 19 GLU HG2 . . 3.920 2.564 2.034 3.855 . 0 0 "[ . 1]" 1 188 1 19 GLU HA 1 19 GLU QG . . 3.220 2.346 2.017 3.163 . 0 0 "[ . 1]" 1 189 1 19 GLU HA 1 19 GLU HG3 . . 3.920 3.238 2.654 3.643 . 0 0 "[ . 1]" 1 190 1 20 PHE H 1 20 PHE HB3 . . 3.570 2.394 2.170 2.515 . 0 0 "[ . 1]" 1 191 1 20 PHE H 1 20 PHE QD . . 4.060 2.058 1.884 2.460 . 0 0 "[ . 1]" 1 192 1 20 PHE H 1 21 LYS H . . 3.670 2.656 2.618 2.684 . 0 0 "[ . 1]" 1 193 1 20 PHE H 1 22 ALA H . . 4.740 4.571 4.201 4.744 0.004 6 0 "[ . 1]" 1 194 1 20 PHE HA 1 20 PHE QD . . 3.150 3.548 3.502 3.609 0.459 7 0 "[ . 1]" 1 195 1 20 PHE HA 1 23 ALA H . . 4.300 3.305 2.902 3.901 . 0 0 "[ . 1]" 1 196 1 20 PHE HA 1 23 ALA MB . . 4.030 3.060 2.274 3.771 . 0 0 "[ . 1]" 1 197 1 20 PHE HB2 1 23 ALA H . . 5.850 4.955 4.258 5.749 . 0 0 "[ . 1]" 1 198 1 20 PHE HB2 1 23 ALA MB . . 5.130 3.870 3.069 4.928 . 0 0 "[ . 1]" 1 199 1 20 PHE HB3 1 20 PHE QD . . 3.320 2.744 2.711 2.759 . 0 0 "[ . 1]" 1 200 1 20 PHE HB3 1 21 LYS H . . 4.360 4.246 3.919 4.407 0.047 5 0 "[ . 1]" 1 201 1 20 PHE QD 1 21 LYS H . . 4.460 2.544 2.131 2.758 . 0 0 "[ . 1]" 1 202 1 20 PHE QD 1 21 LYS HA . . 3.710 3.569 3.499 3.630 . 0 0 "[ . 1]" 1 203 1 20 PHE QD 1 21 LYS QB . . 3.820 3.391 2.699 3.707 . 0 0 "[ . 1]" 1 204 1 20 PHE QD 1 21 LYS HG2 . . 4.220 3.908 3.844 4.025 . 0 0 "[ . 1]" 1 205 1 20 PHE QD 1 21 LYS QG . . 3.530 3.597 3.564 3.669 0.139 10 0 "[ . 1]" 1 206 1 20 PHE QD 1 21 LYS HG3 . . 4.220 4.208 4.110 4.232 0.012 2 0 "[ . 1]" 1 207 1 20 PHE QD 1 78 LEU MD1 . . 3.750 3.219 2.584 3.634 . 0 0 "[ . 1]" 1 208 1 21 LYS H 1 21 LYS HB2 . . 3.670 2.571 2.108 3.644 . 0 0 "[ . 1]" 1 209 1 21 LYS H 1 21 LYS QB . . 3.200 2.213 2.084 2.506 . 0 0 "[ . 1]" 1 210 1 21 LYS H 1 21 LYS HB3 . . 3.670 3.077 2.551 3.310 . 0 0 "[ . 1]" 1 211 1 21 LYS H 1 21 LYS QD . . 5.190 4.556 4.191 4.773 . 0 0 "[ . 1]" 1 212 1 21 LYS H 1 21 LYS HG2 . . 4.830 3.608 3.122 3.878 . 0 0 "[ . 1]" 1 213 1 21 LYS H 1 21 LYS QG . . 4.250 3.127 2.415 3.438 . 0 0 "[ . 1]" 1 214 1 21 LYS H 1 21 LYS HG3 . . 4.830 3.480 2.511 3.904 . 0 0 "[ . 1]" 1 215 1 21 LYS H 1 22 ALA H . . 3.680 2.388 2.279 2.514 . 0 0 "[ . 1]" 1 216 1 21 LYS H 1 22 ALA MB . . 4.970 4.043 3.916 4.179 . 0 0 "[ . 1]" 1 217 1 21 LYS HA 1 21 LYS QD . . 4.440 3.397 3.126 3.788 . 0 0 "[ . 1]" 1 218 1 21 LYS HA 1 22 ALA MB . . 5.130 4.914 4.798 4.983 . 0 0 "[ . 1]" 1 219 1 21 LYS HA 1 24 PHE H . . 4.350 3.862 3.458 4.091 . 0 0 "[ . 1]" 1 220 1 21 LYS HA 1 24 PHE QB . . 3.920 3.123 2.486 3.697 . 0 0 "[ . 1]" 1 221 1 21 LYS HA 1 25 ASP H . . 5.360 4.779 3.859 5.496 0.136 5 0 "[ . 1]" 1 222 1 21 LYS QB 1 21 LYS QD . . 3.330 2.050 1.964 2.126 . 0 0 "[ . 1]" 1 223 1 21 LYS QG 1 24 PHE H . . 5.810 5.567 5.117 5.813 0.003 9 0 "[ . 1]" 1 224 1 22 ALA H 1 22 ALA MB . . 3.010 2.260 2.101 2.392 . 0 0 "[ . 1]" 1 225 1 22 ALA H 1 23 ALA H . . 3.340 2.319 1.935 2.818 . 0 0 "[ . 1]" 1 226 1 22 ALA H 1 23 ALA MB . . 4.770 4.000 3.747 4.439 . 0 0 "[ . 1]" 1 227 1 22 ALA HA 1 25 ASP H . . 4.330 3.677 3.093 4.098 . 0 0 "[ . 1]" 1 228 1 22 ALA HA 1 25 ASP QB . . 3.810 3.160 2.639 3.724 . 0 0 "[ . 1]" 1 229 1 22 ALA MB 1 23 ALA H . . 3.510 2.689 2.379 2.854 . 0 0 "[ . 1]" 1 230 1 23 ALA H 1 23 ALA MB . . 3.180 2.156 2.036 2.263 . 0 0 "[ . 1]" 1 231 1 23 ALA H 1 24 PHE H . . 3.670 2.545 2.426 2.693 . 0 0 "[ . 1]" 1 232 1 23 ALA H 1 24 PHE HA . . 6.000 5.140 5.003 5.283 . 0 0 "[ . 1]" 1 233 1 23 ALA H 1 25 ASP H . . 4.660 4.201 3.789 4.475 . 0 0 "[ . 1]" 1 234 1 23 ALA H 1 25 ASP QB . . 5.400 5.069 4.450 5.326 . 0 0 "[ . 1]" 1 235 1 23 ALA HA 1 26 ILE H . . 4.310 3.469 3.277 3.770 . 0 0 "[ . 1]" 1 236 1 23 ALA HA 1 26 ILE HB . . 4.660 3.375 2.649 4.650 . 0 0 "[ . 1]" 1 237 1 23 ALA HA 1 26 ILE MD . . 3.590 2.592 2.268 3.423 . 0 0 "[ . 1]" 1 238 1 23 ALA HA 1 26 ILE HG12 . . 5.020 4.672 2.918 5.024 0.004 2 0 "[ . 1]" 1 239 1 23 ALA HA 1 26 ILE HG13 . . 5.020 3.593 3.221 4.439 . 0 0 "[ . 1]" 1 240 1 23 ALA MB 1 24 PHE H . . 3.660 2.783 2.242 2.992 . 0 0 "[ . 1]" 1 241 1 23 ALA MB 1 24 PHE HA . . 4.960 3.821 3.748 3.897 . 0 0 "[ . 1]" 1 242 1 23 ALA MB 1 25 ASP H . . 5.130 4.575 4.295 4.839 . 0 0 "[ . 1]" 1 243 1 24 PHE H 1 24 PHE HB2 . . 3.720 2.642 2.123 3.501 . 0 0 "[ . 1]" 1 244 1 24 PHE H 1 24 PHE HB3 . . 3.720 2.633 2.192 3.520 . 0 0 "[ . 1]" 1 245 1 24 PHE H 1 25 ASP H . . 3.780 2.626 2.429 2.781 . 0 0 "[ . 1]" 1 246 1 24 PHE H 1 26 ILE H . . 4.500 4.078 3.818 4.428 . 0 0 "[ . 1]" 1 247 1 24 PHE HA 1 25 ASP HA . . 5.210 4.795 4.722 4.856 . 0 0 "[ . 1]" 1 248 1 24 PHE HA 1 26 ILE H . . 4.330 4.112 3.815 4.354 0.024 5 0 "[ . 1]" 1 249 1 24 PHE HA 1 36 ILE MD . . 5.020 4.578 3.389 5.024 0.004 10 0 "[ . 1]" 1 250 1 24 PHE QB 1 25 ASP H . . 3.720 2.753 2.393 3.422 . 0 0 "[ . 1]" 1 251 1 25 ASP H 1 25 ASP HB2 . . 3.790 2.207 2.068 2.684 . 0 0 "[ . 1]" 1 252 1 25 ASP H 1 25 ASP QB . . 3.130 2.126 2.047 2.296 . 0 0 "[ . 1]" 1 253 1 25 ASP H 1 25 ASP HB3 . . 3.790 3.110 2.385 3.561 . 0 0 "[ . 1]" 1 254 1 25 ASP H 1 26 ILE H . . 3.860 2.627 2.433 2.746 . 0 0 "[ . 1]" 1 255 1 25 ASP H 1 26 ILE HB . . 5.760 5.069 4.786 5.940 0.180 10 0 "[ . 1]" 1 256 1 25 ASP HA 1 26 ILE HA . . 5.560 4.702 4.668 4.773 . 0 0 "[ . 1]" 1 257 1 25 ASP QB 1 26 ILE H . . 3.730 2.834 2.651 2.949 . 0 0 "[ . 1]" 1 258 1 25 ASP HB2 1 26 ILE H . . 4.330 3.455 3.002 4.168 . 0 0 "[ . 1]" 1 259 1 25 ASP HB3 1 26 ILE H . . 4.330 3.090 2.813 3.715 . 0 0 "[ . 1]" 1 260 1 26 ILE H 1 26 ILE HB . . 3.160 2.641 2.482 3.589 0.429 10 0 "[ . 1]" 1 261 1 26 ILE H 1 26 ILE MD . . 3.810 3.539 3.405 3.828 0.018 10 0 "[ . 1]" 1 262 1 26 ILE H 1 26 ILE HG12 . . 3.830 3.476 2.812 3.669 . 0 0 "[ . 1]" 1 263 1 26 ILE H 1 26 ILE HG13 . . 3.830 2.385 2.083 3.985 0.155 10 0 "[ . 1]" 1 264 1 26 ILE H 1 26 ILE MG . . 3.810 3.592 1.918 3.793 . 0 0 "[ . 1]" 1 265 1 26 ILE HA 1 26 ILE MD . . 4.010 3.898 3.857 4.138 0.128 10 0 "[ . 1]" 1 266 1 26 ILE HA 1 26 ILE HG12 . . 3.750 2.746 2.607 3.707 . 0 0 "[ . 1]" 1 267 1 26 ILE HA 1 26 ILE HG13 . . 3.750 3.002 2.826 3.489 . 0 0 "[ . 1]" 1 268 1 26 ILE HA 1 26 ILE MG . . 3.650 2.346 2.266 2.659 . 0 0 "[ . 1]" 1 269 1 26 ILE MD 1 26 ILE MG . . 3.440 2.078 1.993 2.244 . 0 0 "[ . 1]" 1 270 1 26 ILE MG 1 27 PHE HA . . 4.640 3.831 3.486 5.076 0.436 10 0 "[ . 1]" 1 271 1 27 PHE HA 1 27 PHE QE . . 3.620 4.055 4.053 4.060 0.440 5 0 "[ . 1]" 1 272 1 27 PHE HA 1 29 LEU H . . 5.110 3.757 3.547 3.925 . 0 0 "[ . 1]" 1 273 1 27 PHE QB 1 36 ILE MD . . 4.180 2.864 2.062 4.293 0.113 5 0 "[ . 1]" 1 274 1 27 PHE QB 1 36 ILE MG . . 5.500 3.967 2.362 5.510 0.010 5 0 "[ . 1]" 1 275 1 27 PHE HB2 1 36 ILE MD . . 4.780 4.040 3.274 4.716 . 0 0 "[ . 1]" 1 276 1 27 PHE HB3 1 36 ILE MD . . 4.780 2.975 2.084 4.939 0.159 5 0 "[ . 1]" 1 277 1 27 PHE QE 1 47 MET ME . . 3.630 3.193 2.789 3.576 . 0 0 "[ . 1]" 1 278 1 28 VAL HA 1 31 ALA H . . 4.090 2.928 2.754 3.217 . 0 0 "[ . 1]" 1 279 1 28 VAL HA 1 31 ALA MB . . 3.920 2.659 2.068 3.353 . 0 0 "[ . 1]" 1 280 1 28 VAL HB 1 29 LEU H . . 4.800 4.402 3.874 4.487 . 0 0 "[ . 1]" 1 281 1 28 VAL HB 1 31 ALA H . . 4.840 3.549 3.182 4.573 . 0 0 "[ . 1]" 1 282 1 28 VAL HB 1 31 ALA MB . . 3.780 2.357 2.017 3.827 0.047 5 0 "[ . 1]" 1 283 1 28 VAL HB 1 35 SER H . . 5.260 4.809 4.383 5.391 0.131 5 0 "[ . 1]" 1 284 1 28 VAL HB 1 36 ILE MG . . 3.440 3.282 2.757 3.458 0.018 2 0 "[ . 1]" 1 285 1 28 VAL MG1 1 29 LEU H . . 4.940 4.287 4.268 4.355 . 0 0 "[ . 1]" 1 286 1 28 VAL MG1 1 31 ALA H . . 4.810 4.226 2.702 4.561 . 0 0 "[ . 1]" 1 287 1 28 VAL MG1 1 35 SER H . . 5.540 4.261 3.356 5.015 . 0 0 "[ . 1]" 1 288 1 28 VAL MG2 1 29 LEU H . . 4.940 3.481 3.333 4.043 . 0 0 "[ . 1]" 1 289 1 28 VAL MG2 1 31 ALA H . . 4.810 4.339 3.950 4.851 0.041 5 0 "[ . 1]" 1 290 1 28 VAL MG2 1 35 SER H . . 5.540 5.462 5.185 5.733 0.193 5 0 "[ . 1]" 1 291 1 29 LEU H 1 29 LEU HB2 . . 3.970 2.537 2.243 3.490 . 0 0 "[ . 1]" 1 292 1 29 LEU H 1 29 LEU QB . . 3.470 2.205 2.156 2.232 . 0 0 "[ . 1]" 1 293 1 29 LEU H 1 29 LEU HB3 . . 3.970 2.547 2.176 2.801 . 0 0 "[ . 1]" 1 294 1 29 LEU H 1 30 GLY H . . 4.700 2.762 2.726 2.827 . 0 0 "[ . 1]" 1 295 1 29 LEU HA 1 29 LEU HG . . 3.950 2.797 2.402 3.595 . 0 0 "[ . 1]" 1 296 1 29 LEU QB 1 31 ALA H . . 5.110 4.736 4.491 5.206 0.096 5 0 "[ . 1]" 1 297 1 29 LEU HG 1 30 GLY H . . 5.750 4.202 2.869 4.816 . 0 0 "[ . 1]" 1 298 1 30 GLY H 1 31 ALA H . . 3.820 2.302 2.144 2.566 . 0 0 "[ . 1]" 1 299 1 30 GLY QA 1 31 ALA MB . . 4.730 4.120 4.023 4.201 . 0 0 "[ . 1]" 1 300 1 31 ALA H 1 31 ALA MB . . 3.170 2.174 2.047 2.377 . 0 0 "[ . 1]" 1 301 1 31 ALA H 1 32 GLU H . . 4.860 4.417 4.020 4.573 . 0 0 "[ . 1]" 1 302 1 31 ALA HA 1 32 GLU QB . . 4.880 4.446 4.263 4.818 . 0 0 "[ . 1]" 1 303 1 31 ALA HA 1 32 GLU QG . . 4.410 3.925 3.707 4.413 0.003 5 0 "[ . 1]" 1 304 1 31 ALA MB 1 32 GLU H . . 4.460 3.130 1.899 3.594 . 0 0 "[ . 1]" 1 305 1 31 ALA MB 1 32 GLU QG . . 5.000 4.402 2.667 4.835 . 0 0 "[ . 1]" 1 306 1 31 ALA MB 1 33 ASP H . . 4.030 3.314 2.858 3.494 . 0 0 "[ . 1]" 1 307 1 31 ALA MB 1 34 GLY H . . 4.070 2.562 2.183 2.941 . 0 0 "[ . 1]" 1 308 1 31 ALA MB 1 34 GLY QA . . 4.010 2.854 2.085 3.446 . 0 0 "[ . 1]" 1 309 1 31 ALA MB 1 35 SER H . . 3.790 2.747 1.918 3.823 0.033 5 0 "[ . 1]" 1 310 1 31 ALA MB 1 35 SER QB . . 4.910 4.093 3.165 4.829 . 0 0 "[ . 1]" 1 311 1 32 GLU H 1 32 GLU QB . . 3.630 2.503 2.311 2.644 . 0 0 "[ . 1]" 1 312 1 32 GLU H 1 32 GLU QG . . 4.650 2.283 1.932 2.747 . 0 0 "[ . 1]" 1 313 1 32 GLU H 1 33 ASP H . . 4.160 2.382 2.198 2.853 . 0 0 "[ . 1]" 1 314 1 32 GLU QB 1 33 ASP H . . 3.780 3.226 2.709 3.602 . 0 0 "[ . 1]" 1 315 1 32 GLU QG 1 33 ASP H . . 4.760 3.008 1.958 4.271 . 0 0 "[ . 1]" 1 316 1 33 ASP H 1 33 ASP HB2 . . 4.120 2.304 2.099 2.639 . 0 0 "[ . 1]" 1 317 1 33 ASP H 1 33 ASP QB . . 3.590 2.252 2.073 2.439 . 0 0 "[ . 1]" 1 318 1 33 ASP H 1 33 ASP HB3 . . 4.120 3.336 2.869 3.601 . 0 0 "[ . 1]" 1 319 1 33 ASP H 1 34 GLY H . . 3.710 2.431 1.975 2.637 . 0 0 "[ . 1]" 1 320 1 33 ASP H 1 34 GLY QA . . 4.760 4.312 3.929 4.424 . 0 0 "[ . 1]" 1 321 1 33 ASP H 1 35 SER H . . 4.310 3.725 3.079 4.003 . 0 0 "[ . 1]" 1 322 1 34 GLY H 1 35 SER H . . 3.550 2.571 2.447 2.749 . 0 0 "[ . 1]" 1 323 1 34 GLY QA 1 35 SER H . . 3.050 2.824 2.778 2.876 . 0 0 "[ . 1]" 1 324 1 34 GLY QA 1 36 ILE MG . . 4.210 3.724 3.094 4.195 . 0 0 "[ . 1]" 1 325 1 35 SER H 1 35 SER QB . . 3.410 2.572 2.054 3.012 . 0 0 "[ . 1]" 1 326 1 35 SER H 1 36 ILE MG . . 5.260 4.017 3.532 4.972 . 0 0 "[ . 1]" 1 327 1 35 SER QB 1 36 ILE MG . . 5.180 4.561 4.161 5.080 . 0 0 "[ . 1]" 1 328 1 35 SER QB 1 72 VAL H . . 4.730 3.879 1.929 4.698 . 0 0 "[ . 1]" 1 329 1 36 ILE H 1 36 ILE MD . . 5.120 4.220 3.528 4.997 . 0 0 "[ . 1]" 1 330 1 36 ILE H 1 36 ILE HG12 . . 4.990 3.678 2.952 4.675 . 0 0 "[ . 1]" 1 331 1 36 ILE H 1 36 ILE HG13 . . 4.990 3.255 2.066 4.833 . 0 0 "[ . 1]" 1 332 1 36 ILE H 1 36 ILE MG . . 4.730 2.999 2.414 3.405 . 0 0 "[ . 1]" 1 333 1 36 ILE H 1 72 VAL H . . 4.410 4.134 3.111 4.440 0.030 5 0 "[ . 1]" 1 334 1 36 ILE H 1 72 VAL HB . . 5.140 4.322 3.628 5.155 0.015 5 0 "[ . 1]" 1 335 1 36 ILE HA 1 36 ILE MD . . 4.660 3.879 2.984 4.125 . 0 0 "[ . 1]" 1 336 1 38 THR HA 1 38 THR MG . . 3.370 2.356 1.967 3.208 . 0 0 "[ . 1]" 1 337 1 38 THR HA 1 40 GLU H . . 5.480 4.899 3.760 5.803 0.323 4 0 "[ . 1]" 1 338 1 39 LYS H 1 39 LYS QB . . 3.450 2.548 2.042 3.327 . 0 0 "[ . 1]" 1 339 1 39 LYS H 1 39 LYS QG . . 4.320 3.304 2.110 4.289 . 0 0 "[ . 1]" 1 340 1 39 LYS H 1 40 GLU H . . 4.360 3.817 2.700 4.537 0.177 4 0 "[ . 1]" 1 341 1 39 LYS QB 1 39 LYS QG . . 2.370 2.057 2.015 2.087 . 0 0 "[ . 1]" 1 342 1 39 LYS QB 1 40 GLU H . . 4.440 3.279 1.707 4.017 . 0 0 "[ . 1]" 1 343 1 39 LYS QB 1 42 GLY H . . 5.400 3.730 2.581 5.332 . 0 0 "[ . 1]" 1 344 1 40 GLU H 1 40 GLU QG . . 3.700 2.423 1.807 3.830 0.130 1 0 "[ . 1]" 1 345 1 40 GLU H 1 41 LEU HA . . 5.370 5.082 4.797 5.324 . 0 0 "[ . 1]" 1 346 1 40 GLU H 1 41 LEU QB . . 4.550 4.412 4.156 4.550 . 6 0 "[ . 1]" 1 347 1 40 GLU H 1 41 LEU MD1 . . 6.000 4.524 2.695 5.607 . 0 0 "[ . 1]" 1 348 1 40 GLU H 1 41 LEU MD2 . . 6.000 5.385 3.494 6.004 0.004 9 0 "[ . 1]" 1 349 1 40 GLU H 1 42 GLY H . . 5.020 4.012 3.310 4.716 . 0 0 "[ . 1]" 1 350 1 40 GLU QG 1 41 LEU QB . . 4.080 3.555 2.754 4.088 0.008 9 0 "[ . 1]" 1 351 1 40 GLU QG 1 41 LEU HG . . 4.230 3.329 2.358 4.363 0.133 4 0 "[ . 1]" 1 352 1 41 LEU H 1 41 LEU QB . . 3.360 2.327 2.082 2.596 . 0 0 "[ . 1]" 1 353 1 41 LEU H 1 41 LEU MD1 . . 5.080 3.050 1.790 3.754 . 0 0 "[ . 1]" 1 354 1 41 LEU H 1 41 LEU MD2 . . 5.080 3.699 2.604 4.122 . 0 0 "[ . 1]" 1 355 1 41 LEU H 1 42 GLY H . . 4.150 2.673 2.550 2.805 . 0 0 "[ . 1]" 1 356 1 41 LEU H 1 43 LYS H . . 4.580 4.077 3.746 4.565 . 0 0 "[ . 1]" 1 357 1 41 LEU HA 1 44 VAL H . . 4.230 3.817 3.440 4.066 . 0 0 "[ . 1]" 1 358 1 41 LEU QB 1 42 GLY H . . 3.950 2.872 2.262 3.765 . 0 0 "[ . 1]" 1 359 1 41 LEU QB 1 42 GLY QA . . 5.610 3.736 3.449 4.365 . 0 0 "[ . 1]" 1 360 1 42 GLY H 1 43 LYS H . . 3.740 2.570 2.482 2.757 . 0 0 "[ . 1]" 1 361 1 42 GLY H 1 43 LYS QB . . 5.810 4.353 4.143 4.587 . 0 0 "[ . 1]" 1 362 1 42 GLY QA 1 43 LYS HA . . 4.340 4.053 4.003 4.085 . 0 0 "[ . 1]" 1 363 1 42 GLY QA 1 43 LYS QB . . 5.550 4.363 4.268 4.616 . 0 0 "[ . 1]" 1 364 1 42 GLY QA 1 43 LYS QD . . 5.610 5.341 4.773 5.753 0.143 9 0 "[ . 1]" 1 365 1 42 GLY QA 1 44 VAL H . . 4.570 3.913 3.492 4.354 . 0 0 "[ . 1]" 1 366 1 42 GLY QA 1 45 MET H . . 4.380 3.472 3.091 3.710 . 0 0 "[ . 1]" 1 367 1 42 GLY QA 1 45 MET QB . . 4.510 3.240 2.002 3.943 . 0 0 "[ . 1]" 1 368 1 43 LYS H 1 43 LYS QB . . 3.020 2.209 2.037 2.417 . 0 0 "[ . 1]" 1 369 1 43 LYS H 1 43 LYS QD . . 4.520 3.936 3.395 4.283 . 0 0 "[ . 1]" 1 370 1 43 LYS H 1 44 VAL H . . 3.520 2.667 2.540 2.845 . 0 0 "[ . 1]" 1 371 1 43 LYS H 1 45 MET H . . 4.700 4.157 3.694 4.632 . 0 0 "[ . 1]" 1 372 1 43 LYS H 1 46 ARG H . . 5.270 4.987 4.601 5.272 0.002 10 0 "[ . 1]" 1 373 1 43 LYS HA 1 43 LYS QD . . 4.140 2.752 2.065 3.861 . 0 0 "[ . 1]" 1 374 1 43 LYS HA 1 46 ARG H . . 4.270 3.416 3.067 4.023 . 0 0 "[ . 1]" 1 375 1 43 LYS HA 1 46 ARG QD . . 4.650 4.135 3.158 4.651 0.001 5 0 "[ . 1]" 1 376 1 43 LYS HA 1 47 MET H . . 5.020 4.420 3.847 4.981 . 0 0 "[ . 1]" 1 377 1 43 LYS QD 1 44 VAL H . . 5.090 4.193 2.317 4.967 . 0 0 "[ . 1]" 1 378 1 44 VAL H 1 44 VAL HB . . 3.630 2.873 2.435 3.632 0.002 9 0 "[ . 1]" 1 379 1 44 VAL H 1 45 MET H . . 3.560 2.668 2.499 2.863 . 0 0 "[ . 1]" 1 380 1 44 VAL H 1 45 MET QG . . 4.860 4.386 4.048 4.637 . 0 0 "[ . 1]" 1 381 1 44 VAL H 1 46 ARG H . . 4.560 4.234 3.810 4.471 . 0 0 "[ . 1]" 1 382 1 44 VAL H 1 47 MET ME . . 5.020 4.706 4.417 5.126 0.106 5 0 "[ . 1]" 1 383 1 44 VAL HA 1 44 VAL MG1 . . 3.610 2.683 2.293 3.203 . 0 0 "[ . 1]" 1 384 1 44 VAL HA 1 44 VAL MG2 . . 3.610 2.578 2.184 3.203 . 0 0 "[ . 1]" 1 385 1 44 VAL HA 1 46 ARG H . . 4.800 4.372 4.059 4.595 . 0 0 "[ . 1]" 1 386 1 44 VAL HA 1 47 MET H . . 4.240 3.509 3.354 3.795 . 0 0 "[ . 1]" 1 387 1 44 VAL HA 1 47 MET QB . . 3.970 2.783 2.215 3.600 . 0 0 "[ . 1]" 1 388 1 44 VAL HA 1 47 MET ME . . 4.450 3.504 2.385 4.448 . 0 0 "[ . 1]" 1 389 1 44 VAL HB 1 45 MET H . . 3.980 3.543 2.405 3.984 0.004 4 0 "[ . 1]" 1 390 1 44 VAL MG1 1 45 MET H . . 4.540 3.122 2.067 4.031 . 0 0 "[ . 1]" 1 391 1 44 VAL MG2 1 45 MET H . . 4.540 3.292 1.883 3.873 . 0 0 "[ . 1]" 1 392 1 45 MET H 1 45 MET QB . . 3.470 2.367 2.216 2.510 . 0 0 "[ . 1]" 1 393 1 45 MET H 1 45 MET QG . . 3.310 2.434 2.140 2.764 . 0 0 "[ . 1]" 1 394 1 45 MET H 1 46 ARG H . . 3.660 2.587 2.436 2.831 . 0 0 "[ . 1]" 1 395 1 45 MET HA 1 45 MET QG . . 3.700 2.760 2.312 3.418 . 0 0 "[ . 1]" 1 396 1 45 MET HA 1 48 LEU H . . 4.510 3.774 3.380 4.078 . 0 0 "[ . 1]" 1 397 1 45 MET QG 1 46 ARG H . . 4.940 3.734 2.091 4.255 . 0 0 "[ . 1]" 1 398 1 46 ARG H 1 46 ARG QB . . 3.060 2.211 2.074 2.474 . 0 0 "[ . 1]" 1 399 1 46 ARG H 1 47 MET QB . . 5.420 4.382 4.109 4.871 . 0 0 "[ . 1]" 1 400 1 46 ARG H 1 48 LEU H . . 5.030 4.170 3.820 4.666 . 0 0 "[ . 1]" 1 401 1 46 ARG QB 1 46 ARG QD . . 3.030 2.109 1.965 2.303 . 0 0 "[ . 1]" 1 402 1 46 ARG QB 1 47 MET H . . 3.450 2.769 2.533 2.963 . 0 0 "[ . 1]" 1 403 1 47 MET H 1 47 MET QB . . 3.080 2.222 2.045 2.566 . 0 0 "[ . 1]" 1 404 1 47 MET H 1 47 MET QG . . 3.930 3.122 2.139 3.931 0.001 2 0 "[ . 1]" 1 405 1 47 MET H 1 48 LEU H . . 3.420 2.688 2.534 2.923 . 0 0 "[ . 1]" 1 406 1 47 MET HA 1 47 MET QG . . 3.720 2.288 2.002 2.433 . 0 0 "[ . 1]" 1 407 1 47 MET QB 1 47 MET QG . . 2.360 2.045 1.991 2.085 . 0 0 "[ . 1]" 1 408 1 47 MET QB 1 48 LEU H . . 3.990 2.808 2.351 3.007 . 0 0 "[ . 1]" 1 409 1 47 MET QB 1 48 LEU HG . . 3.770 3.201 2.416 4.068 0.298 4 0 "[ . 1]" 1 410 1 48 LEU H 1 48 LEU QB . . 3.690 2.464 2.186 2.664 . 0 0 "[ . 1]" 1 411 1 48 LEU H 1 48 LEU MD1 . . 4.390 3.412 2.881 3.891 . 0 0 "[ . 1]" 1 412 1 48 LEU H 1 48 LEU MD2 . . 4.390 3.612 1.885 3.984 . 0 0 "[ . 1]" 1 413 1 48 LEU H 1 48 LEU HG . . 4.310 2.767 2.075 4.142 . 0 0 "[ . 1]" 1 414 1 48 LEU H 1 49 GLY H . . 3.390 2.515 2.049 2.839 . 0 0 "[ . 1]" 1 415 1 48 LEU HA 1 48 LEU MD1 . . 4.270 3.710 1.986 3.967 . 0 0 "[ . 1]" 1 416 1 48 LEU HA 1 48 LEU MD2 . . 4.270 2.472 2.029 3.481 . 0 0 "[ . 1]" 1 417 1 48 LEU HA 1 49 GLY QA . . 4.750 4.181 4.048 4.336 . 0 0 "[ . 1]" 1 418 1 48 LEU QB 1 49 GLY H . . 3.900 3.378 3.019 3.761 . 0 0 "[ . 1]" 1 419 1 48 LEU QB 1 50 GLN H . . 3.720 3.390 2.638 3.721 0.001 8 0 "[ . 1]" 1 420 1 49 GLY H 1 50 GLN H . . 3.250 2.597 2.360 2.837 . 0 0 "[ . 1]" 1 421 1 49 GLY H 1 50 GLN QG . . 4.940 4.037 3.642 4.485 . 0 0 "[ . 1]" 1 422 1 50 GLN H 1 50 GLN QG . . 3.230 2.444 2.158 2.730 . 0 0 "[ . 1]" 1 423 1 50 GLN HA 1 50 GLN QG . . 3.540 2.713 2.441 3.353 . 0 0 "[ . 1]" 1 424 1 50 GLN QG 1 51 ASN H . . 4.460 3.955 2.906 4.459 . 0 0 "[ . 1]" 1 425 1 51 ASN H 1 52 PRO QD . . 4.900 4.343 4.326 4.370 . 0 0 "[ . 1]" 1 426 1 51 ASN HA 1 52 PRO QG . . 5.000 4.073 4.071 4.077 . 0 0 "[ . 1]" 1 427 1 52 PRO HA 1 53 THR H . . 2.980 2.244 2.156 2.431 . 0 0 "[ . 1]" 1 428 1 52 PRO HA 1 54 PRO HG2 . . 4.920 4.645 4.550 4.812 . 0 0 "[ . 1]" 1 429 1 53 THR H 1 53 THR MG . . 3.830 3.815 3.814 3.816 . 0 0 "[ . 1]" 1 430 1 53 THR H 1 54 PRO QD . . 4.230 1.862 1.860 1.862 . 0 0 "[ . 1]" 1 431 1 53 THR H 1 54 PRO HG2 . . 3.690 3.624 3.623 3.626 . 0 0 "[ . 1]" 1 432 1 53 THR H 1 56 GLU H . . 4.680 4.251 3.869 4.524 . 0 0 "[ . 1]" 1 433 1 53 THR HB 1 54 PRO QD . . 3.330 1.870 1.869 1.870 . 0 0 "[ . 1]" 1 434 1 53 THR MG 1 54 PRO QD . . 3.420 1.949 1.948 1.950 . 0 0 "[ . 1]" 1 435 1 53 THR MG 1 54 PRO HG3 . . 3.850 3.753 3.752 3.754 . 0 0 "[ . 1]" 1 436 1 53 THR MG 1 55 GLU H . . 4.450 4.193 4.138 4.277 . 0 0 "[ . 1]" 1 437 1 53 THR MG 1 56 GLU H . . 4.970 4.715 4.658 4.843 . 0 0 "[ . 1]" 1 438 1 53 THR MG 1 56 GLU QB . . 5.290 4.830 4.605 5.121 . 0 0 "[ . 1]" 1 439 1 54 PRO HA 1 56 GLU H . . 4.920 3.824 3.650 4.026 . 0 0 "[ . 1]" 1 440 1 54 PRO HA 1 57 LEU H . . 4.780 3.191 2.970 3.664 . 0 0 "[ . 1]" 1 441 1 54 PRO HA 1 57 LEU QB . . 5.060 3.337 2.423 4.626 . 0 0 "[ . 1]" 1 442 1 54 PRO HA 1 57 LEU HG . . 5.520 2.412 2.007 3.040 . 0 0 "[ . 1]" 1 443 1 54 PRO QB 1 55 GLU H . . 3.710 3.502 3.366 3.587 . 0 0 "[ . 1]" 1 444 1 54 PRO HG2 1 55 GLU H . . 3.120 2.877 2.627 3.042 . 0 0 "[ . 1]" 1 445 1 55 GLU H 1 55 GLU QG . . 3.420 2.486 1.979 3.397 . 0 0 "[ . 1]" 1 446 1 55 GLU H 1 56 GLU H . . 3.350 2.700 2.590 2.770 . 0 0 "[ . 1]" 1 447 1 55 GLU H 1 57 LEU H . . 4.620 4.164 3.998 4.424 . 0 0 "[ . 1]" 1 448 1 56 GLU H 1 56 GLU QB . . 3.270 2.485 2.400 2.555 . 0 0 "[ . 1]" 1 449 1 56 GLU H 1 56 GLU QG . . 2.960 2.261 2.084 2.431 . 0 0 "[ . 1]" 1 450 1 56 GLU H 1 57 LEU H . . 3.540 2.517 2.399 2.745 . 0 0 "[ . 1]" 1 451 1 56 GLU H 1 57 LEU MD1 . . 6.000 4.921 4.593 5.092 . 0 0 "[ . 1]" 1 452 1 56 GLU H 1 57 LEU MD2 . . 6.000 4.910 3.384 5.474 . 0 0 "[ . 1]" 1 453 1 56 GLU H 1 57 LEU HG . . 4.270 4.003 3.775 4.268 . 0 0 "[ . 1]" 1 454 1 56 GLU HA 1 56 GLU QG . . 3.330 2.795 2.442 3.330 . 0 0 "[ . 1]" 1 455 1 56 GLU QB 1 56 GLU QG . . 2.330 2.037 1.967 2.082 . 0 0 "[ . 1]" 1 456 1 56 GLU QB 1 57 LEU H . . 3.920 2.883 2.359 3.539 . 0 0 "[ . 1]" 1 457 1 56 GLU QG 1 57 LEU H . . 4.130 3.645 2.226 4.131 0.001 1 0 "[ . 1]" 1 458 1 57 LEU H 1 57 LEU HB2 . . 3.740 2.624 2.404 3.473 . 0 0 "[ . 1]" 1 459 1 57 LEU H 1 57 LEU QB . . 3.280 2.518 2.369 2.865 . 0 0 "[ . 1]" 1 460 1 57 LEU H 1 57 LEU HB3 . . 3.740 3.530 3.052 3.591 . 0 0 "[ . 1]" 1 461 1 57 LEU H 1 57 LEU MD1 . . 4.940 3.482 3.208 3.649 . 0 0 "[ . 1]" 1 462 1 57 LEU H 1 57 LEU MD2 . . 4.940 3.228 2.057 3.668 . 0 0 "[ . 1]" 1 463 1 57 LEU H 1 57 LEU HG . . 4.030 2.153 1.916 2.431 . 0 0 "[ . 1]" 1 464 1 57 LEU H 1 58 GLN HB2 . . 6.000 4.685 4.287 5.162 . 0 0 "[ . 1]" 1 465 1 57 LEU H 1 58 GLN HB3 . . 6.000 5.344 4.950 5.790 . 0 0 "[ . 1]" 1 466 1 57 LEU HA 1 57 LEU MD2 . . 3.120 2.377 2.039 3.266 0.146 3 0 "[ . 1]" 1 467 1 57 LEU HA 1 57 LEU HG . . 3.660 3.106 2.901 3.648 . 0 0 "[ . 1]" 1 468 1 57 LEU HA 1 61 ILE MD . . 6.000 5.493 4.890 5.933 . 0 0 "[ . 1]" 1 469 1 57 LEU QB 1 58 GLN H . . 3.930 2.880 2.688 3.400 . 0 0 "[ . 1]" 1 470 1 57 LEU QB 1 58 GLN HA . . 4.280 3.921 3.881 4.064 . 0 0 "[ . 1]" 1 471 1 57 LEU MD1 1 58 GLN H . . 5.710 4.522 3.739 4.799 . 0 0 "[ . 1]" 1 472 1 57 LEU MD2 1 58 GLN H . . 5.710 4.684 3.837 4.906 . 0 0 "[ . 1]" 1 473 1 58 GLN H 1 58 GLN HB2 . . 3.460 2.272 2.064 2.553 . 0 0 "[ . 1]" 1 474 1 58 GLN H 1 58 GLN QB . . 3.000 2.158 2.043 2.250 . 0 0 "[ . 1]" 1 475 1 58 GLN H 1 58 GLN HB3 . . 3.460 2.892 2.492 3.411 . 0 0 "[ . 1]" 1 476 1 58 GLN H 1 58 GLN QG . . 4.640 3.746 3.091 3.995 . 0 0 "[ . 1]" 1 477 1 58 GLN H 1 59 GLU H . . 3.540 2.709 2.493 2.781 . 0 0 "[ . 1]" 1 478 1 58 GLN H 1 61 ILE MD . . 4.610 4.280 4.044 4.611 0.001 4 0 "[ . 1]" 1 479 1 58 GLN HA 1 58 GLN QG . . 3.560 2.308 2.195 2.530 . 0 0 "[ . 1]" 1 480 1 58 GLN HA 1 61 ILE HB . . 4.840 4.759 4.705 4.847 0.007 4 0 "[ . 1]" 1 481 1 58 GLN HA 1 61 ILE MD . . 3.500 2.137 1.975 2.303 . 0 0 "[ . 1]" 1 482 1 58 GLN HA 1 61 ILE MG . . 4.510 3.335 3.137 3.530 . 0 0 "[ . 1]" 1 483 1 58 GLN QB 1 58 GLN QG . . 2.290 2.071 2.027 2.086 . 0 0 "[ . 1]" 1 484 1 58 GLN QB 1 59 GLU H . . 3.130 2.804 2.665 2.926 . 0 0 "[ . 1]" 1 485 1 58 GLN QB 1 61 ILE MD . . 4.430 3.608 3.441 3.770 . 0 0 "[ . 1]" 1 486 1 59 GLU H 1 59 GLU HG2 . . 4.230 3.241 2.439 3.944 . 0 0 "[ . 1]" 1 487 1 59 GLU H 1 59 GLU QG . . 3.480 2.751 2.103 3.260 . 0 0 "[ . 1]" 1 488 1 59 GLU H 1 59 GLU HG3 . . 4.230 3.186 2.157 3.850 . 0 0 "[ . 1]" 1 489 1 59 GLU H 1 60 MET H . . 3.720 2.502 2.449 2.614 . 0 0 "[ . 1]" 1 490 1 59 GLU H 1 61 ILE MD . . 6.000 5.003 4.891 5.154 . 0 0 "[ . 1]" 1 491 1 59 GLU H 1 62 ASP H . . 5.060 4.764 4.404 4.963 . 0 0 "[ . 1]" 1 492 1 59 GLU HA 1 59 GLU QG . . 3.460 2.379 2.095 3.326 . 0 0 "[ . 1]" 1 493 1 59 GLU HA 1 61 ILE MD . . 6.000 5.506 5.356 5.692 . 0 0 "[ . 1]" 1 494 1 59 GLU QG 1 60 MET H . . 5.060 4.040 2.032 4.533 . 0 0 "[ . 1]" 1 495 1 60 MET H 1 61 ILE MG . . 4.610 4.153 3.996 4.450 . 0 0 "[ . 1]" 1 496 1 60 MET H 1 62 ASP H . . 3.850 3.808 3.765 3.880 0.030 1 0 "[ . 1]" 1 497 1 60 MET HA 1 63 GLU H . . 4.090 3.921 3.784 4.091 0.001 1 0 "[ . 1]" 1 498 1 61 ILE HA 1 61 ILE MD . . 4.220 4.170 4.151 4.180 . 0 0 "[ . 1]" 1 499 1 61 ILE HA 1 61 ILE MG . . 3.250 2.330 2.209 2.409 . 0 0 "[ . 1]" 1 500 1 61 ILE HA 1 64 VAL HB . . 4.800 2.941 2.008 4.641 . 0 0 "[ . 1]" 1 501 1 61 ILE HB 1 62 ASP H . . 4.050 3.995 3.908 4.061 0.011 1 0 "[ . 1]" 1 502 1 61 ILE MD 1 62 ASP H . . 4.130 4.059 4.030 4.101 . 0 0 "[ . 1]" 1 503 1 61 ILE MG 1 62 ASP H . . 4.070 3.984 3.918 4.048 . 0 0 "[ . 1]" 1 504 1 62 ASP H 1 62 ASP QB . . 3.470 2.127 2.046 2.275 . 0 0 "[ . 1]" 1 505 1 62 ASP H 1 63 GLU H . . 3.530 2.727 2.467 2.781 . 0 0 "[ . 1]" 1 506 1 62 ASP QB 1 63 GLU QB . . 4.450 3.890 3.504 4.315 . 0 0 "[ . 1]" 1 507 1 63 GLU H 1 63 GLU QB . . 3.010 2.781 2.499 3.011 0.001 8 0 "[ . 1]" 1 508 1 63 GLU H 1 63 GLU HG2 . . 3.730 3.122 2.219 3.721 . 0 0 "[ . 1]" 1 509 1 63 GLU H 1 63 GLU HG3 . . 3.730 2.923 2.193 3.731 0.001 1 0 "[ . 1]" 1 510 1 63 GLU H 1 64 VAL H . . 3.540 2.999 2.641 3.543 0.003 9 0 "[ . 1]" 1 511 1 63 GLU HA 1 65 ASP H . . 5.100 3.870 3.146 4.531 . 0 0 "[ . 1]" 1 512 1 65 ASP H 1 65 ASP QB . . 3.390 2.218 2.049 2.721 . 0 0 "[ . 1]" 1 513 1 65 ASP HA 1 66 GLU H . . 3.230 2.198 2.142 2.354 . 0 0 "[ . 1]" 1 514 1 65 ASP HA 1 66 GLU QB . . 4.710 4.294 4.076 4.556 . 0 0 "[ . 1]" 1 515 1 65 ASP HA 1 67 ASP H . . 4.280 3.547 3.120 3.916 . 0 0 "[ . 1]" 1 516 1 66 GLU H 1 66 GLU QB . . 3.100 2.321 2.131 2.518 . 0 0 "[ . 1]" 1 517 1 66 GLU H 1 66 GLU QG . . 4.240 2.984 2.104 4.052 . 0 0 "[ . 1]" 1 518 1 66 GLU H 1 67 ASP H . . 3.420 2.510 2.268 2.681 . 0 0 "[ . 1]" 1 519 1 66 GLU QB 1 67 ASP H . . 3.450 2.829 2.642 3.074 . 0 0 "[ . 1]" 1 520 1 66 GLU QB 1 67 ASP QB . . 4.230 4.046 3.878 4.230 . 0 0 "[ . 1]" 1 521 1 66 GLU QB 1 68 GLY H . . 4.720 4.448 4.395 4.641 . 0 0 "[ . 1]" 1 522 1 66 GLU QG 1 67 ASP H . . 4.360 4.199 3.905 4.353 . 0 0 "[ . 1]" 1 523 1 67 ASP H 1 67 ASP HB2 . . 3.960 3.415 2.628 3.703 . 0 0 "[ . 1]" 1 524 1 67 ASP H 1 67 ASP QB . . 3.400 2.569 2.253 2.780 . 0 0 "[ . 1]" 1 525 1 67 ASP H 1 67 ASP HB3 . . 3.960 2.672 2.385 2.873 . 0 0 "[ . 1]" 1 526 1 67 ASP H 1 68 GLY QA . . 4.870 4.365 4.065 4.445 . 0 0 "[ . 1]" 1 527 1 67 ASP H 1 69 SER H . . 4.600 4.310 3.842 4.585 . 0 0 "[ . 1]" 1 528 1 68 GLY H 1 69 SER H . . 3.550 2.847 2.712 2.947 . 0 0 "[ . 1]" 1 529 1 68 GLY H 1 70 GLY H . . 4.840 4.448 4.014 4.800 . 0 0 "[ . 1]" 1 530 1 68 GLY QA 1 70 GLY H . . 4.340 3.818 3.561 4.365 0.025 5 0 "[ . 1]" 1 531 1 69 SER H 1 69 SER QB . . 3.330 2.854 2.672 3.007 . 0 0 "[ . 1]" 1 532 1 69 SER H 1 70 GLY H . . 3.340 2.028 1.894 2.204 . 0 0 "[ . 1]" 1 533 1 69 SER H 1 70 GLY QA . . 4.590 3.935 3.707 4.129 . 0 0 "[ . 1]" 1 534 1 69 SER H 1 71 THR H . . 4.200 4.008 3.371 4.200 . 10 0 "[ . 1]" 1 535 1 70 GLY H 1 71 THR H . . 3.370 2.669 2.434 2.987 . 0 0 "[ . 1]" 1 536 1 70 GLY H 1 71 THR MG . . 4.690 4.314 3.931 4.599 . 0 0 "[ . 1]" 1 537 1 70 GLY QA 1 71 THR HB . . 4.670 4.231 4.001 4.359 . 0 0 "[ . 1]" 1 538 1 70 GLY QA 1 71 THR MG . . 5.050 3.971 3.791 4.216 . 0 0 "[ . 1]" 1 539 1 71 THR H 1 71 THR MG . . 3.970 2.200 1.994 2.418 . 0 0 "[ . 1]" 1 540 1 71 THR HA 1 71 THR MG . . 3.250 3.194 3.184 3.205 . 0 0 "[ . 1]" 1 541 1 71 THR HA 1 72 VAL H . . 3.510 2.370 2.218 2.542 . 0 0 "[ . 1]" 1 542 1 71 THR MG 1 72 VAL H . . 4.220 3.496 2.947 3.964 . 0 0 "[ . 1]" 1 543 1 72 VAL H 1 72 VAL HB . . 3.810 2.891 2.393 3.657 . 0 0 "[ . 1]" 1 544 1 72 VAL H 1 72 VAL MG1 . . 4.580 2.385 1.899 3.565 . 0 0 "[ . 1]" 1 545 1 72 VAL H 1 72 VAL MG2 . . 3.700 3.505 1.987 3.851 0.151 9 0 "[ . 1]" 1 546 1 72 VAL HA 1 72 VAL MG1 . . 3.470 2.968 2.066 3.185 . 0 0 "[ . 1]" 1 547 1 72 VAL HA 1 72 VAL MG2 . . 3.460 2.399 2.078 3.161 . 0 0 "[ . 1]" 1 548 1 72 VAL HA 1 73 ASP H . . 3.270 2.148 2.140 2.178 . 0 0 "[ . 1]" 1 549 1 72 VAL HA 1 76 GLU H . . 6.000 5.497 4.704 5.785 . 0 0 "[ . 1]" 1 550 1 72 VAL HA 1 76 GLU QB . . 4.670 3.177 2.458 4.688 0.018 10 0 "[ . 1]" 1 551 1 72 VAL HA 1 76 GLU QG . . 4.490 3.989 3.321 4.489 . 0 0 "[ . 1]" 1 552 1 72 VAL HB 1 73 ASP H . . 4.860 4.181 3.290 4.463 . 0 0 "[ . 1]" 1 553 1 72 VAL MG1 1 73 ASP H . . 4.450 3.794 2.740 4.204 . 0 0 "[ . 1]" 1 554 1 72 VAL MG2 1 73 ASP H . . 4.450 3.036 2.494 4.214 . 0 0 "[ . 1]" 1 555 1 73 ASP H 1 76 GLU H . . 4.530 3.779 3.215 4.152 . 0 0 "[ . 1]" 1 556 1 73 ASP H 1 76 GLU QB . . 4.180 2.367 1.906 4.101 . 0 0 "[ . 1]" 1 557 1 73 ASP H 1 76 GLU QG . . 3.770 2.959 2.301 3.737 . 0 0 "[ . 1]" 1 558 1 73 ASP QB 1 74 PHE H . . 3.200 2.330 2.039 2.723 . 0 0 "[ . 1]" 1 559 1 73 ASP QB 1 76 GLU H . . 3.900 2.668 2.422 3.146 . 0 0 "[ . 1]" 1 560 1 73 ASP HB2 1 74 PHE H . . 3.810 3.483 2.715 3.811 0.001 1 0 "[ . 1]" 1 561 1 73 ASP HB3 1 74 PHE H . . 3.810 2.370 2.107 2.789 . 0 0 "[ . 1]" 1 562 1 74 PHE H 1 75 ASP H . . 3.170 2.763 2.266 3.075 . 0 0 "[ . 1]" 1 563 1 74 PHE H 1 75 ASP HA . . 5.540 5.320 4.913 5.521 . 0 0 "[ . 1]" 1 564 1 75 ASP H 1 75 ASP QB . . 2.980 2.264 2.053 2.676 . 0 0 "[ . 1]" 1 565 1 75 ASP H 1 76 GLU H . . 3.500 2.633 2.484 2.722 . 0 0 "[ . 1]" 1 566 1 75 ASP QB 1 76 GLU H . . 4.220 2.774 2.337 3.456 . 0 0 "[ . 1]" 1 567 1 76 GLU H 1 76 GLU QB . . 3.560 2.254 2.054 2.632 . 0 0 "[ . 1]" 1 568 1 76 GLU H 1 76 GLU QG . . 3.290 2.721 1.931 3.288 . 0 0 "[ . 1]" 1 569 1 76 GLU H 1 77 PHE H . . 3.690 2.676 2.497 2.872 . 0 0 "[ . 1]" 1 570 1 76 GLU HA 1 79 VAL H . . 4.340 3.550 3.143 3.912 . 0 0 "[ . 1]" 1 571 1 76 GLU QB 1 77 PHE H . . 4.240 2.836 2.477 3.524 . 0 0 "[ . 1]" 1 572 1 76 GLU QB 1 79 VAL H . . 5.720 4.881 4.421 5.298 . 0 0 "[ . 1]" 1 573 1 76 GLU QG 1 77 PHE H . . 4.800 4.126 2.336 4.514 . 0 0 "[ . 1]" 1 574 1 77 PHE H 1 77 PHE HB2 . . 3.970 2.351 2.076 2.713 . 0 0 "[ . 1]" 1 575 1 77 PHE H 1 77 PHE QB . . 3.410 2.198 2.051 2.364 . 0 0 "[ . 1]" 1 576 1 77 PHE H 1 77 PHE HB3 . . 3.970 2.877 2.400 3.579 . 0 0 "[ . 1]" 1 577 1 77 PHE H 1 78 LEU H . . 3.930 2.670 2.536 2.840 . 0 0 "[ . 1]" 1 578 1 77 PHE H 1 78 LEU HB2 . . 4.670 4.475 4.283 4.684 0.014 2 0 "[ . 1]" 1 579 1 77 PHE H 1 79 VAL H . . 4.760 4.065 3.907 4.282 . 0 0 "[ . 1]" 1 580 1 77 PHE HA 1 80 MET H . . 4.270 3.566 3.201 3.916 . 0 0 "[ . 1]" 1 581 1 77 PHE QB 1 78 LEU H . . 3.950 2.558 2.336 2.781 . 0 0 "[ . 1]" 1 582 1 77 PHE HB2 1 78 LEU H . . 4.520 3.526 2.846 3.963 . 0 0 "[ . 1]" 1 583 1 77 PHE HB3 1 78 LEU H . . 4.520 2.717 2.358 3.688 . 0 0 "[ . 1]" 1 584 1 78 LEU H 1 78 LEU HB2 . . 3.610 2.089 2.050 2.206 . 0 0 "[ . 1]" 1 585 1 78 LEU H 1 78 LEU MD1 . . 4.380 3.263 2.338 3.948 . 0 0 "[ . 1]" 1 586 1 78 LEU H 1 78 LEU MD2 . . 4.380 3.811 2.333 4.385 0.005 6 0 "[ . 1]" 1 587 1 78 LEU H 1 78 LEU HG . . 4.300 4.059 3.484 4.344 0.044 1 0 "[ . 1]" 1 588 1 78 LEU H 1 79 VAL H . . 3.860 2.655 2.402 2.843 . 0 0 "[ . 1]" 1 589 1 78 LEU HA 1 78 LEU MD1 . . 4.100 2.669 1.969 3.718 . 0 0 "[ . 1]" 1 590 1 78 LEU HA 1 78 LEU MD2 . . 4.100 3.144 2.317 3.786 . 0 0 "[ . 1]" 1 591 1 78 LEU HA 1 78 LEU HG . . 3.730 2.664 2.231 3.702 . 0 0 "[ . 1]" 1 592 1 78 LEU HA 1 81 MET H . . 4.190 3.624 3.171 3.998 . 0 0 "[ . 1]" 1 593 1 78 LEU HB2 1 78 LEU MD1 . . 3.650 2.405 1.977 3.191 . 0 0 "[ . 1]" 1 594 1 78 LEU HB2 1 78 LEU MD2 . . 3.650 2.617 2.159 3.160 . 0 0 "[ . 1]" 1 595 1 78 LEU HB2 1 79 VAL H . . 4.150 3.170 2.847 3.552 . 0 0 "[ . 1]" 1 596 1 79 VAL H 1 79 VAL HB . . 3.460 2.671 2.495 3.604 0.144 1 0 "[ . 1]" 1 597 1 79 VAL H 1 79 VAL MG1 . . 4.080 3.470 2.051 3.786 . 0 0 "[ . 1]" 1 598 1 79 VAL H 1 79 VAL MG2 . . 4.080 2.332 1.931 3.778 . 0 0 "[ . 1]" 1 599 1 79 VAL H 1 80 MET H . . 3.780 2.573 2.399 2.690 . 0 0 "[ . 1]" 1 600 1 79 VAL HA 1 79 VAL MG1 . . 3.540 2.388 2.168 3.203 . 0 0 "[ . 1]" 1 601 1 79 VAL HA 1 79 VAL MG2 . . 3.540 2.448 2.289 3.197 . 0 0 "[ . 1]" 1 602 1 79 VAL HA 1 82 VAL H . . 4.410 3.780 3.461 4.062 . 0 0 "[ . 1]" 1 603 1 80 MET H 1 80 MET QB . . 3.530 2.192 2.066 2.416 . 0 0 "[ . 1]" 1 604 1 80 MET H 1 80 MET QG . . 4.300 3.090 2.397 3.750 . 0 0 "[ . 1]" 1 605 1 80 MET H 1 81 MET H . . 3.680 2.515 2.333 2.765 . 0 0 "[ . 1]" 1 606 1 80 MET HA 1 82 VAL H . . 5.020 4.232 3.571 5.019 . 0 0 "[ . 1]" 1 607 1 80 MET HA 1 83 ARG H . . 4.450 3.603 3.370 3.799 . 0 0 "[ . 1]" 1 608 1 80 MET HA 1 83 ARG QB . . 4.670 3.617 1.964 4.572 . 0 0 "[ . 1]" 1 609 1 80 MET HA 1 83 ARG QD . . 4.410 3.000 1.995 4.037 . 0 0 "[ . 1]" 1 610 1 80 MET QB 1 81 MET H . . 4.070 3.066 2.812 3.280 . 0 0 "[ . 1]" 1 611 1 80 MET QB 1 81 MET HA . . 4.630 3.954 3.855 4.091 . 0 0 "[ . 1]" 1 612 1 80 MET QB 1 84 SER H . . 5.460 5.154 4.524 5.473 0.013 5 0 "[ . 1]" 1 613 1 81 MET H 1 81 MET QB . . 3.320 2.186 2.040 2.490 . 0 0 "[ . 1]" 1 614 1 81 MET H 1 81 MET QG . . 4.040 3.603 2.076 4.017 . 0 0 "[ . 1]" 1 615 1 81 MET HA 1 84 SER H . . 4.260 3.501 3.190 4.048 . 0 0 "[ . 1]" 1 616 1 82 VAL H 1 82 VAL HB . . 3.600 3.207 2.570 3.655 0.055 5 0 "[ . 1]" 1 617 1 82 VAL HA 1 82 VAL MG1 . . 3.410 2.711 2.343 3.204 . 0 0 "[ . 1]" 1 618 1 82 VAL HA 1 82 VAL MG2 . . 3.410 2.856 2.302 3.193 . 0 0 "[ . 1]" 1 619 1 82 VAL HB 1 83 ARG H . . 4.050 3.984 3.869 4.059 0.009 6 0 "[ . 1]" 1 620 1 82 VAL MG1 1 83 ARG H . . 4.120 3.151 1.929 3.904 . 0 0 "[ . 1]" 1 621 1 82 VAL MG1 1 83 ARG HG2 . . 5.480 4.889 3.721 5.498 0.018 7 0 "[ . 1]" 1 622 1 82 VAL MG1 1 83 ARG HG3 . . 5.480 4.336 2.606 5.506 0.026 7 0 "[ . 1]" 1 623 1 82 VAL MG2 1 83 ARG H . . 4.120 2.632 1.970 3.711 . 0 0 "[ . 1]" 1 624 1 82 VAL MG2 1 83 ARG HG2 . . 5.480 3.978 2.768 5.491 0.011 1 0 "[ . 1]" 1 625 1 82 VAL MG2 1 83 ARG HG3 . . 5.480 3.728 2.252 5.340 . 0 0 "[ . 1]" 1 626 1 83 ARG H 1 83 ARG HB2 . . 3.780 2.784 2.063 3.600 . 0 0 "[ . 1]" 1 627 1 83 ARG H 1 83 ARG HB3 . . 3.780 3.275 2.625 3.598 . 0 0 "[ . 1]" 1 628 1 83 ARG H 1 83 ARG QD . . 4.490 3.946 3.530 4.444 . 0 0 "[ . 1]" 1 629 1 83 ARG H 1 83 ARG QG . . 4.300 2.314 1.931 3.378 . 0 0 "[ . 1]" 1 630 1 83 ARG H 1 84 SER H . . 3.560 2.658 2.518 2.871 . 0 0 "[ . 1]" 1 631 1 83 ARG H 1 84 SER QB . . 5.410 4.726 4.189 5.081 . 0 0 "[ . 1]" 1 632 1 83 ARG HA 1 83 ARG QD . . 4.680 4.042 3.829 4.261 . 0 0 "[ . 1]" 1 633 1 83 ARG HA 1 83 ARG QG . . 3.600 2.682 2.138 3.388 . 0 0 "[ . 1]" 1 634 1 83 ARG QB 1 84 SER H . . 3.940 2.805 2.397 3.457 . 0 0 "[ . 1]" 1 635 1 83 ARG QD 1 84 SER H . . 4.730 4.261 2.766 4.733 0.003 9 0 "[ . 1]" 1 636 1 84 SER H 1 84 SER QB . . 3.240 2.716 2.066 3.223 . 0 0 "[ . 1]" 1 637 1 84 SER QB 1 85 MET H . . 3.850 2.715 2.019 3.823 . 0 0 "[ . 1]" 1 638 1 84 SER QB 1 86 LYS H . . 5.170 3.554 2.133 5.169 . 0 0 "[ . 1]" 1 639 1 85 MET H 1 85 MET QG . . 3.610 2.735 2.213 3.572 . 0 0 "[ . 1]" 1 640 1 85 MET H 1 86 LYS H . . 3.410 2.606 1.885 3.374 . 0 0 "[ . 1]" 1 641 1 85 MET H 1 86 LYS QB . . 4.960 4.382 3.448 4.964 0.004 7 0 "[ . 1]" 1 642 1 85 MET HA 1 86 LYS H . . 3.370 2.998 2.240 3.514 0.144 9 0 "[ . 1]" 1 643 1 85 MET QG 1 86 LYS H . . 4.880 3.491 1.946 4.714 . 0 0 "[ . 1]" 1 644 1 86 LYS H 1 86 LYS QB . . 3.130 2.891 2.667 3.084 . 0 0 "[ . 1]" 1 645 1 86 LYS H 1 86 LYS QD . . 4.460 4.140 3.221 4.545 0.085 7 0 "[ . 1]" 1 646 1 86 LYS H 1 86 LYS QG . . 4.410 3.767 2.010 4.375 . 0 0 "[ . 1]" 1 647 1 86 LYS H 1 87 ASP H . . 4.570 3.525 1.898 4.571 0.001 10 0 "[ . 1]" 1 648 1 86 LYS HA 1 86 LYS QD . . 4.230 2.862 2.215 4.263 0.033 7 0 "[ . 1]" 1 649 1 86 LYS HA 1 86 LYS QG . . 3.540 2.545 2.145 3.345 . 0 0 "[ . 1]" 1 650 1 86 LYS HA 1 87 ASP H . . 3.490 2.862 2.462 3.553 0.063 1 0 "[ . 1]" 1 651 1 86 LYS HA 1 87 ASP HA . . 4.660 4.492 4.359 4.635 . 0 0 "[ . 1]" 1 652 1 86 LYS QB 1 86 LYS QD . . 2.500 2.121 1.987 2.304 . 0 0 "[ . 1]" 1 653 1 86 LYS QB 1 87 ASP H . . 4.480 2.911 2.007 4.045 . 0 0 "[ . 1]" 1 654 1 86 LYS QG 1 87 ASP H . . 4.600 3.683 1.933 4.598 . 0 0 "[ . 1]" 1 655 1 87 ASP H 1 87 ASP QB . . 3.500 2.748 2.329 3.280 . 0 0 "[ . 1]" 1 656 1 87 ASP QB 1 88 ASP H . . 4.310 2.692 1.954 3.764 . 0 0 "[ . 1]" 1 657 1 88 ASP QB 1 89 SER H . . 4.230 2.781 1.938 3.977 . 0 0 "[ . 1]" 1 658 1 89 SER H 1 89 SER QB . . 3.530 3.087 2.403 3.435 . 0 0 "[ . 1]" 1 659 1 89 SER HA 1 90 LYS H . . 3.490 2.821 2.391 3.552 0.062 8 0 "[ . 1]" 1 660 1 89 SER HA 1 90 LYS QB . . 4.570 4.133 3.731 4.570 . 0 0 "[ . 1]" 1 661 1 89 SER QB 1 90 LYS H . . 4.340 2.726 2.013 4.018 . 0 0 "[ . 1]" 1 662 1 90 LYS H 1 90 LYS QB . . 3.490 2.898 2.667 3.077 . 0 0 "[ . 1]" 1 663 1 90 LYS H 1 90 LYS QG . . 4.290 3.856 3.116 4.266 . 0 0 "[ . 1]" 1 664 1 90 LYS HA 1 90 LYS QD . . 4.610 3.360 2.080 4.005 . 0 0 "[ . 1]" 1 665 1 90 LYS HA 1 90 LYS QG . . 3.600 2.251 2.024 2.517 . 0 0 "[ . 1]" 1 666 1 90 LYS HA 1 91 GLY H . . 3.360 2.472 2.228 2.715 . 0 0 "[ . 1]" 1 667 1 90 LYS QB 1 91 GLY H . . 4.270 2.693 1.965 4.014 . 0 0 "[ . 1]" 1 668 1 90 LYS QG 1 91 GLY H . . 4.930 3.017 2.174 3.977 . 0 0 "[ . 1]" 1 669 1 91 GLY QA 1 92 LYS H . . 2.820 2.243 2.111 2.820 . 0 0 "[ . 1]" 1 670 1 91 GLY QA 1 92 LYS HA . . 4.560 3.974 3.934 4.130 . 0 0 "[ . 1]" 1 671 1 91 GLY QA 1 92 LYS QB . . 4.600 4.133 3.960 4.528 . 0 0 "[ . 1]" 1 672 1 91 GLY QA 1 92 LYS QG . . 4.570 3.738 3.066 4.370 . 0 0 "[ . 1]" 1 673 1 92 LYS H 1 92 LYS QB . . 3.680 2.914 2.376 3.418 . 0 0 "[ . 1]" 1 674 1 92 LYS H 1 92 LYS QG . . 3.430 2.485 1.960 3.285 . 0 0 "[ . 1]" 1 675 1 92 LYS H 1 93 SER H . . 4.500 3.732 1.913 4.510 0.010 3 0 "[ . 1]" 1 676 1 92 LYS HA 1 92 LYS QD . . 4.730 3.702 2.063 4.422 . 0 0 "[ . 1]" 1 677 1 92 LYS HA 1 92 LYS QG . . 3.510 3.153 2.321 3.396 . 0 0 "[ . 1]" 1 678 1 92 LYS HA 1 93 SER H . . 3.120 2.574 2.158 2.930 . 0 0 "[ . 1]" 1 679 1 92 LYS QG 1 93 SER H . . 4.800 3.882 3.021 4.361 . 0 0 "[ . 1]" 1 680 1 93 SER H 1 93 SER QB . . 3.520 2.698 2.233 3.096 . 0 0 "[ . 1]" 1 681 1 93 SER H 1 94 GLU H . . 4.670 4.245 3.934 4.529 . 0 0 "[ . 1]" 1 682 1 93 SER HA 1 94 GLU H . . 3.370 2.421 2.210 2.718 . 0 0 "[ . 1]" 1 683 1 93 SER HA 1 95 GLU H . . 4.680 3.906 3.297 4.653 . 0 0 "[ . 1]" 1 684 1 93 SER QB 1 94 GLU H . . 3.840 2.881 2.048 3.781 . 0 0 "[ . 1]" 1 685 1 93 SER QB 1 95 GLU H . . 3.700 2.902 2.232 3.634 . 0 0 "[ . 1]" 1 686 1 94 GLU H 1 94 GLU QB . . 3.230 2.303 2.078 2.603 . 0 0 "[ . 1]" 1 687 1 94 GLU H 1 94 GLU QG . . 4.280 3.023 1.970 4.016 . 0 0 "[ . 1]" 1 688 1 94 GLU H 1 95 GLU H . . 3.790 2.530 2.431 2.704 . 0 0 "[ . 1]" 1 689 1 94 GLU H 1 96 GLU H . . 4.940 4.313 3.685 4.687 . 0 0 "[ . 1]" 1 690 1 94 GLU HA 1 96 GLU H . . 4.310 3.904 3.587 4.307 . 0 0 "[ . 1]" 1 691 1 94 GLU HA 1 97 LEU H . . 4.220 3.503 2.968 3.832 . 0 0 "[ . 1]" 1 692 1 94 GLU HA 1 97 LEU HB2 . . 4.410 3.417 2.190 4.330 . 0 0 "[ . 1]" 1 693 1 94 GLU HA 1 97 LEU HG . . 4.710 4.487 3.706 4.728 0.018 3 0 "[ . 1]" 1 694 1 95 GLU H 1 95 GLU QB . . 2.930 2.382 2.122 2.603 . 0 0 "[ . 1]" 1 695 1 95 GLU H 1 95 GLU QG . . 4.520 2.915 2.021 4.063 . 0 0 "[ . 1]" 1 696 1 95 GLU H 1 96 GLU H . . 3.620 2.720 2.411 2.870 . 0 0 "[ . 1]" 1 697 1 95 GLU QB 1 96 GLU H . . 3.160 2.817 2.466 3.237 0.077 6 0 "[ . 1]" 1 698 1 95 GLU QG 1 96 GLU H . . 4.280 3.913 1.938 4.269 . 0 0 "[ . 1]" 1 699 1 96 GLU H 1 97 LEU H . . 3.430 2.666 2.447 2.774 . 0 0 "[ . 1]" 1 700 1 96 GLU H 1 98 SER H . . 5.280 4.182 3.910 4.326 . 0 0 "[ . 1]" 1 701 1 96 GLU HA 1 99 ASP H . . 3.720 3.407 3.133 3.689 . 0 0 "[ . 1]" 1 702 1 96 GLU HA 1 99 ASP QB . . 3.720 3.159 2.691 3.715 . 0 0 "[ . 1]" 1 703 1 96 GLU QB 1 97 LEU HA . . 5.060 3.922 3.804 4.426 . 0 0 "[ . 1]" 1 704 1 96 GLU QB 1 99 ASP H . . 5.100 4.732 4.355 5.083 . 0 0 "[ . 1]" 1 705 1 97 LEU H 1 97 LEU HB2 . . 3.360 2.151 2.064 2.273 . 0 0 "[ . 1]" 1 706 1 97 LEU H 1 97 LEU HB3 . . 3.910 3.459 3.332 3.540 . 0 0 "[ . 1]" 1 707 1 97 LEU H 1 97 LEU MD1 . . 4.420 3.335 2.235 4.007 . 0 0 "[ . 1]" 1 708 1 97 LEU H 1 97 LEU HG . . 4.110 3.430 2.713 3.930 . 0 0 "[ . 1]" 1 709 1 97 LEU H 1 98 SER H . . 3.600 2.656 2.500 2.783 . 0 0 "[ . 1]" 1 710 1 97 LEU HA 1 97 LEU MD2 . . 4.020 2.652 2.048 3.608 . 0 0 "[ . 1]" 1 711 1 97 LEU HA 1 97 LEU HG . . 3.740 2.660 2.241 3.702 . 0 0 "[ . 1]" 1 712 1 97 LEU HA 1 100 LEU MD2 . . 4.250 3.513 2.819 3.962 . 0 0 "[ . 1]" 1 713 1 97 LEU HB2 1 98 SER H . . 4.120 3.078 2.777 3.258 . 0 0 "[ . 1]" 1 714 1 97 LEU HB3 1 98 SER H . . 4.690 3.454 3.336 3.599 . 0 0 "[ . 1]" 1 715 1 97 LEU HB3 1 150 TYR QE . . 5.090 5.063 4.637 5.158 0.068 1 0 "[ . 1]" 1 716 1 97 LEU MD1 1 98 SER H . . 5.430 4.673 4.278 4.872 . 0 0 "[ . 1]" 1 717 1 97 LEU MD2 1 98 SER H . . 5.430 4.702 4.125 5.006 . 0 0 "[ . 1]" 1 718 1 97 LEU HG 1 98 SER H . . 5.460 5.040 4.739 5.271 . 0 0 "[ . 1]" 1 719 1 97 LEU HG 1 154 LEU HA . . 3.800 3.833 3.190 4.010 0.210 2 0 "[ . 1]" 1 720 1 98 SER H 1 98 SER QB . . 3.440 2.251 2.102 2.425 . 0 0 "[ . 1]" 1 721 1 98 SER H 1 99 ASP H . . 3.660 2.583 2.417 2.765 . 0 0 "[ . 1]" 1 722 1 98 SER HA 1 150 TYR HD1 . . 5.590 5.280 4.738 5.602 0.012 4 0 "[ . 1]" 1 723 1 98 SER HA 1 150 TYR QE . . 3.760 3.431 2.676 3.768 0.008 6 0 "[ . 1]" 1 724 1 98 SER QB 1 99 ASP H . . 4.060 3.271 2.709 3.555 . 0 0 "[ . 1]" 1 725 1 98 SER QB 1 150 TYR QE . . 3.970 3.438 2.986 3.950 . 0 0 "[ . 1]" 1 726 1 99 ASP H 1 99 ASP HB2 . . 3.690 2.366 2.102 2.744 . 0 0 "[ . 1]" 1 727 1 99 ASP H 1 99 ASP QB . . 3.060 2.286 2.083 2.668 . 0 0 "[ . 1]" 1 728 1 99 ASP H 1 99 ASP HB3 . . 3.690 3.236 2.612 3.633 . 0 0 "[ . 1]" 1 729 1 99 ASP H 1 100 LEU HB2 . . 4.870 4.406 4.007 4.723 . 0 0 "[ . 1]" 1 730 1 99 ASP H 1 102 ARG QB . . 5.810 5.721 5.432 5.850 0.040 2 0 "[ . 1]" 1 731 1 99 ASP HA 1 102 ARG H . . 3.990 3.780 3.544 3.953 . 0 0 "[ . 1]" 1 732 1 99 ASP HA 1 102 ARG QG . . 5.430 4.928 2.292 5.408 . 0 0 "[ . 1]" 1 733 1 99 ASP HA 1 103 MET H . . 5.200 4.332 4.106 4.877 . 0 0 "[ . 1]" 1 734 1 99 ASP QB 1 100 LEU H . . 3.490 2.420 2.070 2.788 . 0 0 "[ . 1]" 1 735 1 99 ASP HB2 1 100 LEU H . . 4.120 2.979 2.323 3.803 . 0 0 "[ . 1]" 1 736 1 99 ASP HB3 1 100 LEU H . . 4.120 2.889 2.091 4.051 . 0 0 "[ . 1]" 1 737 1 100 LEU H 1 100 LEU HB2 . . 3.380 2.168 2.053 2.238 . 0 0 "[ . 1]" 1 738 1 100 LEU H 1 100 LEU MD1 . . 4.600 2.913 1.940 3.915 . 0 0 "[ . 1]" 1 739 1 100 LEU H 1 100 LEU MD2 . . 4.410 3.200 2.097 4.057 . 0 0 "[ . 1]" 1 740 1 100 LEU H 1 100 LEU HG . . 4.250 4.027 3.906 4.257 0.007 4 0 "[ . 1]" 1 741 1 100 LEU HA 1 100 LEU MD1 . . 3.800 2.278 2.091 2.461 . 0 0 "[ . 1]" 1 742 1 100 LEU HA 1 100 LEU MD2 . . 4.000 3.256 2.354 3.815 . 0 0 "[ . 1]" 1 743 1 100 LEU HA 1 102 ARG H . . 5.030 4.683 4.611 4.819 . 0 0 "[ . 1]" 1 744 1 100 LEU HA 1 104 PHE H . . 4.560 3.928 3.440 4.303 . 0 0 "[ . 1]" 1 745 1 100 LEU HB2 1 101 PHE H . . 4.630 2.977 2.858 3.117 . 0 0 "[ . 1]" 1 746 1 100 LEU HB3 1 101 PHE H . . 3.880 3.369 3.065 3.562 . 0 0 "[ . 1]" 1 747 1 100 LEU HB3 1 101 PHE QB . . 4.980 4.762 4.378 4.966 . 0 0 "[ . 1]" 1 748 1 100 LEU MD1 1 101 PHE H . . 5.540 4.439 4.103 4.710 . 0 0 "[ . 1]" 1 749 1 100 LEU MD2 1 101 PHE H . . 5.540 4.532 4.106 4.832 . 0 0 "[ . 1]" 1 750 1 101 PHE H 1 101 PHE HB2 . . 3.500 2.623 2.170 2.819 . 0 0 "[ . 1]" 1 751 1 101 PHE H 1 101 PHE QB . . 3.050 2.197 2.119 2.241 . 0 0 "[ . 1]" 1 752 1 101 PHE H 1 101 PHE HB3 . . 3.500 2.468 2.280 2.971 . 0 0 "[ . 1]" 1 753 1 101 PHE H 1 101 PHE HD1 . . 5.130 4.689 4.605 4.789 . 0 0 "[ . 1]" 1 754 1 101 PHE H 1 102 ARG H . . 3.240 2.918 2.843 2.969 . 0 0 "[ . 1]" 1 755 1 101 PHE HA 1 101 PHE HD1 . . 3.960 2.343 2.167 2.707 . 0 0 "[ . 1]" 1 756 1 101 PHE HA 1 104 PHE H . . 4.730 3.838 3.452 4.181 . 0 0 "[ . 1]" 1 757 1 101 PHE HA 1 112 ILE MD . . 3.960 3.103 2.801 3.264 . 0 0 "[ . 1]" 1 758 1 101 PHE QB 1 101 PHE HD1 . . 3.170 2.862 2.790 2.919 . 0 0 "[ . 1]" 1 759 1 101 PHE QB 1 102 ARG H . . 3.330 2.351 2.244 2.446 . 0 0 "[ . 1]" 1 760 1 101 PHE HB2 1 102 ARG H . . 4.020 3.734 3.374 3.851 . 0 0 "[ . 1]" 1 761 1 101 PHE HB3 1 102 ARG H . . 4.020 2.377 2.278 2.474 . 0 0 "[ . 1]" 1 762 1 101 PHE HD1 1 102 ARG H . . 4.340 4.308 3.957 4.415 0.075 9 0 "[ . 1]" 1 763 1 101 PHE HD1 1 102 ARG HA . . 4.300 4.265 3.663 4.415 0.115 3 0 "[ . 1]" 1 764 1 101 PHE HD1 1 112 ILE MD . . 3.870 2.072 1.961 2.494 . 0 0 "[ . 1]" 1 765 1 101 PHE QE 1 110 GLY QA . . 4.500 4.007 3.560 4.385 . 0 0 "[ . 1]" 1 766 1 101 PHE QE 1 111 TYR HA . . 4.880 3.143 2.604 3.414 . 0 0 "[ . 1]" 1 767 1 101 PHE QE 1 112 ILE H . . 4.610 4.421 3.975 4.636 0.026 3 0 "[ . 1]" 1 768 1 101 PHE QE 1 112 ILE MD . . 4.290 2.591 2.246 3.004 . 0 0 "[ . 1]" 1 769 1 101 PHE QE 1 149 ASP HA . . 4.740 3.859 2.983 4.754 0.014 9 0 "[ . 1]" 1 770 1 102 ARG H 1 102 ARG QB . . 2.970 2.165 2.046 2.387 . 0 0 "[ . 1]" 1 771 1 102 ARG H 1 102 ARG QG . . 4.190 3.534 2.325 3.970 . 0 0 "[ . 1]" 1 772 1 102 ARG HA 1 102 ARG QD . . 4.720 3.362 2.047 4.262 . 0 0 "[ . 1]" 1 773 1 102 ARG HA 1 102 ARG QG . . 3.570 2.472 2.006 3.328 . 0 0 "[ . 1]" 1 774 1 102 ARG HA 1 104 PHE H . . 4.830 4.152 3.760 4.697 . 0 0 "[ . 1]" 1 775 1 102 ARG HA 1 105 ASP H . . 4.430 3.216 2.803 3.477 . 0 0 "[ . 1]" 1 776 1 102 ARG HA 1 105 ASP HA . . 5.770 5.021 4.626 5.456 . 0 0 "[ . 1]" 1 777 1 102 ARG QB 1 102 ARG QG . . 2.260 2.029 1.995 2.087 . 0 0 "[ . 1]" 1 778 1 103 MET H 1 103 MET QB . . 3.040 2.197 2.059 2.256 . 0 0 "[ . 1]" 1 779 1 103 MET H 1 104 PHE H . . 3.410 2.562 2.300 2.850 . 0 0 "[ . 1]" 1 780 1 103 MET H 1 104 PHE HA . . 5.830 5.203 4.995 5.421 . 0 0 "[ . 1]" 1 781 1 103 MET QB 1 104 PHE H . . 3.810 2.732 2.297 2.995 . 0 0 "[ . 1]" 1 782 1 104 PHE H 1 104 PHE QB . . 3.300 2.188 2.128 2.222 . 0 0 "[ . 1]" 1 783 1 104 PHE H 1 105 ASP H . . 3.250 2.288 2.154 2.607 . 0 0 "[ . 1]" 1 784 1 104 PHE H 1 112 ILE MD . . 4.440 3.962 3.638 4.344 . 0 0 "[ . 1]" 1 785 1 104 PHE H 1 112 ILE MG . . 5.610 5.326 4.832 5.627 0.017 3 0 "[ . 1]" 1 786 1 104 PHE HA 1 104 PHE QE . . 3.730 4.379 4.354 4.389 0.659 5 10 [***-+*****] 1 787 1 104 PHE HA 1 112 ILE MD . . 4.830 4.487 4.222 4.840 0.010 4 0 "[ . 1]" 1 788 1 104 PHE QB 1 112 ILE MD . . 3.190 2.297 2.033 2.683 . 0 0 "[ . 1]" 1 789 1 104 PHE QE 1 119 ILE HB . . 4.080 3.784 2.501 4.100 0.020 4 0 "[ . 1]" 1 790 1 105 ASP H 1 105 ASP HB2 . . 3.380 2.502 2.332 2.657 . 0 0 "[ . 1]" 1 791 1 105 ASP H 1 105 ASP HB3 . . 3.190 2.622 2.469 2.817 . 0 0 "[ . 1]" 1 792 1 105 ASP H 1 112 ILE MD . . 4.320 3.330 2.957 3.743 . 0 0 "[ . 1]" 1 793 1 105 ASP HA 1 106 LYS H . . 3.030 2.489 2.274 2.559 . 0 0 "[ . 1]" 1 794 1 105 ASP HA 1 107 ASN H . . 4.210 3.173 2.999 3.577 . 0 0 "[ . 1]" 1 795 1 105 ASP HA 1 108 ALA H . . 4.650 4.066 3.498 4.331 . 0 0 "[ . 1]" 1 796 1 105 ASP HA 1 112 ILE MD . . 3.950 2.767 2.513 3.120 . 0 0 "[ . 1]" 1 797 1 105 ASP HB2 1 107 ASN H . . 5.770 5.296 4.968 5.807 0.037 5 0 "[ . 1]" 1 798 1 105 ASP HB2 1 112 ILE MD . . 4.020 2.684 2.249 3.129 . 0 0 "[ . 1]" 1 799 1 105 ASP HB3 1 106 LYS H . . 4.760 4.399 4.348 4.460 . 0 0 "[ . 1]" 1 800 1 105 ASP HB3 1 107 ASN H . . 5.380 4.962 4.796 5.166 . 0 0 "[ . 1]" 1 801 1 105 ASP HB3 1 108 ALA H . . 4.500 4.178 3.507 4.506 0.006 4 0 "[ . 1]" 1 802 1 106 LYS H 1 106 LYS QB . . 3.060 2.480 2.334 2.599 . 0 0 "[ . 1]" 1 803 1 106 LYS H 1 106 LYS QG . . 3.420 2.236 1.951 2.699 . 0 0 "[ . 1]" 1 804 1 106 LYS H 1 107 ASN H . . 3.490 2.516 2.272 2.809 . 0 0 "[ . 1]" 1 805 1 106 LYS H 1 107 ASN HA . . 5.380 5.098 4.937 5.395 0.015 5 0 "[ . 1]" 1 806 1 106 LYS H 1 112 ILE MD . . 5.410 4.555 4.404 4.843 . 0 0 "[ . 1]" 1 807 1 106 LYS H 1 112 ILE MG . . 5.470 4.846 4.590 5.057 . 0 0 "[ . 1]" 1 808 1 106 LYS H 1 116 GLU QB . . 4.040 3.609 3.298 4.048 0.008 3 0 "[ . 1]" 1 809 1 106 LYS H 1 116 GLU QG . . 4.210 2.532 1.923 3.375 . 0 0 "[ . 1]" 1 810 1 106 LYS HA 1 106 LYS QD . . 4.130 4.039 3.933 4.117 . 0 0 "[ . 1]" 1 811 1 106 LYS QB 1 106 LYS QG . . 2.360 2.070 2.038 2.087 . 0 0 "[ . 1]" 1 812 1 106 LYS QB 1 107 ASN H . . 3.430 2.981 2.476 3.188 . 0 0 "[ . 1]" 1 813 1 106 LYS QB 1 119 ILE MD . . 4.600 4.282 3.721 4.617 0.017 10 0 "[ . 1]" 1 814 1 106 LYS QE 1 106 LYS QG . . 3.430 2.337 2.046 2.409 . 0 0 "[ . 1]" 1 815 1 106 LYS QE 1 119 ILE MD . . 4.210 2.279 1.887 3.226 . 0 0 "[ . 1]" 1 816 1 106 LYS QE 1 119 ILE MG . . 3.780 2.731 2.108 3.474 . 0 0 "[ . 1]" 1 817 1 106 LYS QG 1 107 ASN H . . 5.770 4.152 3.902 4.458 . 0 0 "[ . 1]" 1 818 1 107 ASN H 1 107 ASN HB2 . . 3.930 2.382 2.094 3.568 . 0 0 "[ . 1]" 1 819 1 107 ASN H 1 107 ASN QB . . 3.250 2.223 2.070 2.755 . 0 0 "[ . 1]" 1 820 1 107 ASN H 1 107 ASN HB3 . . 3.930 3.159 2.496 3.519 . 0 0 "[ . 1]" 1 821 1 107 ASN H 1 108 ALA MB . . 4.830 4.698 4.629 4.731 . 0 0 "[ . 1]" 1 822 1 107 ASN HA 1 108 ALA MB . . 4.750 3.959 3.907 4.019 . 0 0 "[ . 1]" 1 823 1 107 ASN QB 1 108 ALA H . . 4.190 3.324 3.263 3.748 . 0 0 "[ . 1]" 1 824 1 107 ASN HB2 1 108 ALA H . . 4.820 3.779 3.475 4.287 . 0 0 "[ . 1]" 1 825 1 107 ASN HB3 1 108 ALA H . . 4.820 3.792 3.390 4.391 . 0 0 "[ . 1]" 1 826 1 108 ALA H 1 108 ALA HA . . 2.850 2.284 2.282 2.290 . 0 0 "[ . 1]" 1 827 1 108 ALA H 1 108 ALA MB . . 3.430 2.787 2.745 2.819 . 0 0 "[ . 1]" 1 828 1 108 ALA H 1 109 ASP H . . 3.440 2.831 2.780 3.084 . 0 0 "[ . 1]" 1 829 1 108 ALA H 1 110 GLY H . . 5.020 4.198 4.023 4.672 . 0 0 "[ . 1]" 1 830 1 108 ALA HA 1 109 ASP H . . 3.310 2.873 2.558 2.936 . 0 0 "[ . 1]" 1 831 1 108 ALA HA 1 110 GLY H . . 3.800 3.368 3.113 3.655 . 0 0 "[ . 1]" 1 832 1 108 ALA MB 1 109 ASP H . . 4.190 3.644 3.617 3.718 . 0 0 "[ . 1]" 1 833 1 108 ALA MB 1 109 ASP HA . . 5.140 4.161 4.112 4.197 . 0 0 "[ . 1]" 1 834 1 108 ALA MB 1 110 GLY H . . 4.780 4.504 4.242 4.749 . 0 0 "[ . 1]" 1 835 1 109 ASP H 1 109 ASP HB2 . . 3.950 3.719 3.675 3.776 . 0 0 "[ . 1]" 1 836 1 109 ASP H 1 109 ASP QB . . 3.330 2.794 2.685 2.944 . 0 0 "[ . 1]" 1 837 1 109 ASP H 1 109 ASP HB3 . . 3.950 2.891 2.760 3.098 . 0 0 "[ . 1]" 1 838 1 109 ASP H 1 110 GLY H . . 3.100 2.124 1.925 2.359 . 0 0 "[ . 1]" 1 839 1 109 ASP H 1 111 TYR H . . 3.980 3.640 3.471 3.996 0.016 3 0 "[ . 1]" 1 840 1 109 ASP HA 1 111 TYR H . . 4.760 4.400 4.301 4.559 . 0 0 "[ . 1]" 1 841 1 109 ASP HB2 1 110 GLY H . . 4.770 4.279 4.160 4.456 . 0 0 "[ . 1]" 1 842 1 109 ASP HB3 1 110 GLY H . . 4.770 4.285 4.114 4.436 . 0 0 "[ . 1]" 1 843 1 110 GLY H 1 111 TYR H . . 3.190 2.768 2.567 2.941 . 0 0 "[ . 1]" 1 844 1 110 GLY QA 1 111 TYR HD1 . . 5.000 4.581 4.546 4.650 . 0 0 "[ . 1]" 1 845 1 111 TYR H 1 111 TYR HB2 . . 3.870 2.859 2.845 2.868 . 0 0 "[ . 1]" 1 846 1 111 TYR H 1 111 TYR HB3 . . 3.870 3.734 3.732 3.737 . 0 0 "[ . 1]" 1 847 1 111 TYR H 1 111 TYR HD1 . . 4.030 4.224 4.203 4.276 0.246 8 0 "[ . 1]" 1 848 1 111 TYR H 1 111 TYR HE2 . . 4.220 4.426 4.397 4.446 0.226 3 0 "[ . 1]" 1 849 1 111 TYR H 1 112 ILE H . . 4.840 4.490 4.478 4.506 . 0 0 "[ . 1]" 1 850 1 111 TYR H 1 147 ARG QB . . 5.810 5.563 5.000 5.827 0.017 6 0 "[ . 1]" 1 851 1 111 TYR HA 1 111 TYR HD1 . . 3.090 2.908 2.885 2.933 . 0 0 "[ . 1]" 1 852 1 111 TYR HA 1 112 ILE H . . 3.230 2.515 2.468 2.544 . 0 0 "[ . 1]" 1 853 1 111 TYR QB 1 111 TYR HD1 . . 2.980 2.500 2.484 2.507 . 0 0 "[ . 1]" 1 854 1 111 TYR QB 1 112 ILE H . . 3.600 2.329 2.292 2.395 . 0 0 "[ . 1]" 1 855 1 111 TYR QB 1 147 ARG QB . . 3.710 2.389 2.110 2.586 . 0 0 "[ . 1]" 1 856 1 111 TYR QB 1 147 ARG QD . . 4.210 4.182 4.057 4.228 0.018 3 0 "[ . 1]" 1 857 1 111 TYR QB 1 147 ARG QG . . 4.460 2.904 2.474 3.861 . 0 0 "[ . 1]" 1 858 1 111 TYR QB 1 148 ILE H . . 4.800 2.843 2.349 3.163 . 0 0 "[ . 1]" 1 859 1 111 TYR QB 1 149 ASP HA . . 5.460 4.000 3.679 4.161 . 0 0 "[ . 1]" 1 860 1 111 TYR HB2 1 112 ILE H . . 4.300 3.005 2.936 3.114 . 0 0 "[ . 1]" 1 861 1 111 TYR HB3 1 112 ILE H . . 4.300 2.426 2.392 2.489 . 0 0 "[ . 1]" 1 862 1 111 TYR HD1 1 112 ILE H . . 4.310 4.501 4.476 4.514 0.204 9 0 "[ . 1]" 1 863 1 111 TYR HD1 1 147 ARG QB . . 4.580 3.633 2.518 4.032 . 0 0 "[ . 1]" 1 864 1 111 TYR HD1 1 147 ARG QD . . 4.420 3.910 3.517 4.184 . 0 0 "[ . 1]" 1 865 1 111 TYR HD1 1 147 ARG HG2 . . 4.960 4.310 3.697 4.935 . 0 0 "[ . 1]" 1 866 1 111 TYR HD1 1 147 ARG QG . . 4.350 2.815 2.407 3.615 . 0 0 "[ . 1]" 1 867 1 111 TYR HD1 1 147 ARG HG3 . . 4.960 2.989 2.424 5.100 0.140 8 0 "[ . 1]" 1 868 1 111 TYR HD1 1 149 ASP H . . 4.780 4.510 3.548 4.811 0.031 1 0 "[ . 1]" 1 869 1 111 TYR HD1 1 149 ASP HA . . 3.960 2.823 2.305 3.024 . 0 0 "[ . 1]" 1 870 1 111 TYR HD1 1 149 ASP QB . . 4.000 3.345 2.095 3.892 . 0 0 "[ . 1]" 1 871 1 111 TYR HD1 1 150 TYR H . . 5.040 4.974 4.587 5.160 0.120 8 0 "[ . 1]" 1 872 1 111 TYR QE 1 149 ASP QB . . 4.580 3.951 2.723 4.588 0.008 9 0 "[ . 1]" 1 873 1 112 ILE H 1 112 ILE HB . . 3.510 2.691 2.609 2.764 . 0 0 "[ . 1]" 1 874 1 112 ILE H 1 112 ILE MD . . 4.740 3.371 3.060 3.551 . 0 0 "[ . 1]" 1 875 1 112 ILE H 1 112 ILE HG12 . . 4.340 2.317 2.147 2.407 . 0 0 "[ . 1]" 1 876 1 112 ILE H 1 112 ILE HG13 . . 4.340 3.775 3.647 3.847 . 0 0 "[ . 1]" 1 877 1 112 ILE H 1 112 ILE MG . . 4.660 3.849 3.828 3.882 . 0 0 "[ . 1]" 1 878 1 112 ILE H 1 137 MET ME . . 5.370 3.887 3.422 4.263 . 0 0 "[ . 1]" 1 879 1 112 ILE H 1 147 ARG QB . . 4.640 4.066 3.799 4.644 0.004 8 0 "[ . 1]" 1 880 1 112 ILE H 1 148 ILE H . . 3.990 2.792 2.376 3.065 . 0 0 "[ . 1]" 1 881 1 112 ILE H 1 148 ILE HB . . 4.170 2.211 1.943 2.737 . 0 0 "[ . 1]" 1 882 1 112 ILE H 1 148 ILE MG . . 4.680 3.667 3.307 3.921 . 0 0 "[ . 1]" 1 883 1 112 ILE H 1 149 ASP HA . . 4.860 4.719 4.401 4.907 0.047 6 0 "[ . 1]" 1 884 1 112 ILE HA 1 112 ILE MD . . 3.750 2.112 2.025 2.211 . 0 0 "[ . 1]" 1 885 1 112 ILE HA 1 112 ILE MG . . 3.530 2.234 2.162 2.340 . 0 0 "[ . 1]" 1 886 1 112 ILE HA 1 113 ASP H . . 2.990 2.192 2.157 2.205 . 0 0 "[ . 1]" 1 887 1 112 ILE HB 1 112 ILE MD . . 3.740 3.228 3.226 3.230 . 0 0 "[ . 1]" 1 888 1 112 ILE HB 1 113 ASP H . . 4.720 3.906 3.846 3.991 . 0 0 "[ . 1]" 1 889 1 112 ILE HB 1 148 ILE H . . 4.840 3.781 3.660 3.956 . 0 0 "[ . 1]" 1 890 1 112 ILE HB 1 148 ILE HB . . 3.710 2.192 1.970 2.564 . 0 0 "[ . 1]" 1 891 1 112 ILE HB 1 148 ILE MG . . 4.100 3.130 2.791 3.578 . 0 0 "[ . 1]" 1 892 1 112 ILE MD 1 112 ILE MG . . 3.150 2.055 1.997 2.154 . 0 0 "[ . 1]" 1 893 1 112 ILE MD 1 113 ASP H . . 4.640 3.812 3.643 3.941 . 0 0 "[ . 1]" 1 894 1 112 ILE MD 1 148 ILE MG . . 4.410 3.398 2.818 3.629 . 0 0 "[ . 1]" 1 895 1 112 ILE MG 1 113 ASP H . . 3.590 2.389 2.216 2.616 . 0 0 "[ . 1]" 1 896 1 112 ILE MG 1 116 GLU H . . 4.490 4.221 4.061 4.392 . 0 0 "[ . 1]" 1 897 1 112 ILE MG 1 116 GLU HB2 . . 4.180 2.702 2.364 3.099 . 0 0 "[ . 1]" 1 898 1 112 ILE MG 1 116 GLU QB . . 3.400 2.481 2.162 2.792 . 0 0 "[ . 1]" 1 899 1 112 ILE MG 1 116 GLU HB3 . . 4.180 3.086 2.267 3.821 . 0 0 "[ . 1]" 1 900 1 112 ILE MG 1 117 LEU H . . 4.040 3.255 2.676 3.739 . 0 0 "[ . 1]" 1 901 1 112 ILE MG 1 117 LEU HA . . 3.870 3.747 3.165 4.075 0.205 5 0 "[ . 1]" 1 902 1 112 ILE MG 1 117 LEU HG . . 3.530 3.059 2.304 3.565 0.035 2 0 "[ . 1]" 1 903 1 113 ASP H 1 113 ASP QB . . 3.530 2.368 2.233 2.494 . 0 0 "[ . 1]" 1 904 1 113 ASP H 1 116 GLU H . . 4.080 3.793 3.647 3.983 . 0 0 "[ . 1]" 1 905 1 113 ASP H 1 116 GLU QB . . 3.880 2.447 1.918 3.211 . 0 0 "[ . 1]" 1 906 1 113 ASP H 1 116 GLU QG . . 4.510 3.620 2.750 4.013 . 0 0 "[ . 1]" 1 907 1 113 ASP H 1 117 LEU HG . . 5.080 4.658 4.089 5.110 0.030 9 0 "[ . 1]" 1 908 1 113 ASP H 1 137 MET ME . . 5.570 4.649 4.131 4.885 . 0 0 "[ . 1]" 1 909 1 113 ASP HA 1 114 LEU H . . 3.310 2.328 2.185 2.453 . 0 0 "[ . 1]" 1 910 1 113 ASP HA 1 115 ASP H . . 5.060 4.427 3.748 4.775 . 0 0 "[ . 1]" 1 911 1 113 ASP QB 1 114 LEU H . . 3.180 3.030 2.646 3.175 . 0 0 "[ . 1]" 1 912 1 113 ASP QB 1 115 ASP H . . 4.210 2.966 2.247 3.812 . 0 0 "[ . 1]" 1 913 1 113 ASP QB 1 116 GLU H . . 4.210 2.848 2.510 3.856 . 0 0 "[ . 1]" 1 914 1 114 LEU H 1 114 LEU QB . . 2.890 2.722 2.652 2.782 . 0 0 "[ . 1]" 1 915 1 114 LEU H 1 114 LEU MD2 . . 4.100 2.611 2.192 3.509 . 0 0 "[ . 1]" 1 916 1 114 LEU H 1 115 ASP H . . 2.950 2.844 2.699 2.908 . 0 0 "[ . 1]" 1 917 1 114 LEU H 1 137 MET ME . . 4.020 3.813 2.370 4.067 0.047 6 0 "[ . 1]" 1 918 1 114 LEU HA 1 114 LEU HG . . 3.900 3.500 3.336 3.664 . 0 0 "[ . 1]" 1 919 1 114 LEU HA 1 117 LEU H . . 4.130 3.371 3.041 3.645 . 0 0 "[ . 1]" 1 920 1 114 LEU HA 1 118 LYS H . . 4.360 3.599 3.245 4.040 . 0 0 "[ . 1]" 1 921 1 114 LEU MD2 1 118 LYS QE . . 4.220 4.040 3.882 4.244 0.024 3 0 "[ . 1]" 1 922 1 114 LEU MD2 1 137 MET H . . 4.160 3.895 3.739 3.981 . 0 0 "[ . 1]" 1 923 1 114 LEU HG 1 115 ASP H . . 3.340 3.592 3.022 3.807 0.467 10 0 "[ . 1]" 1 924 1 115 ASP H 1 115 ASP HB2 . . 3.600 2.390 2.129 2.590 . 0 0 "[ . 1]" 1 925 1 115 ASP H 1 115 ASP HB3 . . 3.600 3.561 3.444 3.595 . 0 0 "[ . 1]" 1 926 1 115 ASP H 1 116 GLU H . . 3.290 2.717 2.402 2.901 . 0 0 "[ . 1]" 1 927 1 115 ASP H 1 117 LEU H . . 4.820 4.334 3.864 4.656 . 0 0 "[ . 1]" 1 928 1 115 ASP HA 1 118 LYS QB . . 4.110 3.691 2.108 4.146 0.036 7 0 "[ . 1]" 1 929 1 115 ASP HA 1 118 LYS QD . . 4.090 2.336 1.945 2.786 . 0 0 "[ . 1]" 1 930 1 115 ASP HA 1 119 ILE H . . 5.020 4.149 3.512 4.704 . 0 0 "[ . 1]" 1 931 1 115 ASP QB 1 116 GLU H . . 3.540 2.823 2.385 3.026 . 0 0 "[ . 1]" 1 932 1 115 ASP QB 1 116 GLU HA . . 4.190 3.945 3.845 4.031 . 0 0 "[ . 1]" 1 933 1 115 ASP QB 1 117 LEU H . . 5.610 4.891 4.360 5.215 . 0 0 "[ . 1]" 1 934 1 115 ASP QB 1 118 LYS QG . . 5.620 4.038 3.677 5.515 . 0 0 "[ . 1]" 1 935 1 115 ASP QB 1 119 ILE MD . . 5.310 3.414 2.036 4.383 . 0 0 "[ . 1]" 1 936 1 115 ASP HB2 1 116 GLU H . . 4.120 2.941 2.430 3.177 . 0 0 "[ . 1]" 1 937 1 115 ASP HB2 1 116 GLU HA . . 5.070 4.567 4.269 4.955 . 0 0 "[ . 1]" 1 938 1 115 ASP HB3 1 116 GLU H . . 4.120 3.698 3.146 4.059 . 0 0 "[ . 1]" 1 939 1 115 ASP HB3 1 116 GLU HA . . 5.070 4.356 4.021 4.644 . 0 0 "[ . 1]" 1 940 1 116 GLU H 1 116 GLU HB2 . . 3.690 2.370 2.177 2.672 . 0 0 "[ . 1]" 1 941 1 116 GLU H 1 116 GLU QB . . 3.090 2.335 2.155 2.606 . 0 0 "[ . 1]" 1 942 1 116 GLU H 1 116 GLU HB3 . . 3.690 3.557 3.468 3.626 . 0 0 "[ . 1]" 1 943 1 116 GLU H 1 116 GLU QG . . 4.240 2.677 1.998 3.183 . 0 0 "[ . 1]" 1 944 1 116 GLU H 1 117 LEU H . . 3.330 2.520 2.349 2.864 . 0 0 "[ . 1]" 1 945 1 116 GLU H 1 117 LEU QB . . 5.180 4.813 4.531 5.222 0.042 10 0 "[ . 1]" 1 946 1 116 GLU H 1 119 ILE MD . . 4.630 4.255 3.567 4.635 0.005 1 0 "[ . 1]" 1 947 1 116 GLU HA 1 119 ILE H . . 4.270 3.782 3.624 3.976 . 0 0 "[ . 1]" 1 948 1 116 GLU HA 1 119 ILE HB . . 4.170 3.129 2.531 4.103 . 0 0 "[ . 1]" 1 949 1 116 GLU HA 1 119 ILE MD . . 3.880 2.290 1.897 2.787 . 0 0 "[ . 1]" 1 950 1 116 GLU HA 1 119 ILE MG . . 4.930 4.107 3.611 5.163 0.233 10 0 "[ . 1]" 1 951 1 116 GLU QB 1 117 LEU H . . 4.030 2.596 2.352 2.911 . 0 0 "[ . 1]" 1 952 1 116 GLU QB 1 117 LEU HA . . 4.700 3.859 3.763 3.983 . 0 0 "[ . 1]" 1 953 1 116 GLU QB 1 119 ILE MD . . 4.610 3.949 3.218 4.499 . 0 0 "[ . 1]" 1 954 1 116 GLU QG 1 117 LEU H . . 5.810 4.196 3.824 4.285 . 0 0 "[ . 1]" 1 955 1 116 GLU QG 1 119 ILE MD . . 5.520 3.405 3.032 4.073 . 0 0 "[ . 1]" 1 956 1 117 LEU H 1 117 LEU QB . . 3.430 2.600 2.480 2.667 . 0 0 "[ . 1]" 1 957 1 117 LEU H 1 117 LEU HG . . 3.400 2.014 1.820 2.347 . 0 0 "[ . 1]" 1 958 1 117 LEU H 1 118 LYS H . . 3.760 2.607 2.521 2.667 . 0 0 "[ . 1]" 1 959 1 117 LEU H 1 118 LYS QB . . 5.250 4.646 4.198 4.844 . 0 0 "[ . 1]" 1 960 1 117 LEU H 1 118 LYS QG . . 5.550 4.160 3.475 5.842 0.292 10 0 "[ . 1]" 1 961 1 117 LEU H 1 119 ILE HB . . 5.870 4.917 4.538 5.774 . 0 0 "[ . 1]" 1 962 1 117 LEU HA 1 118 LYS HA . . 5.050 4.804 4.749 4.860 . 0 0 "[ . 1]" 1 963 1 117 LEU QB 1 118 LYS H . . 4.040 2.903 2.319 3.563 . 0 0 "[ . 1]" 1 964 1 117 LEU HG 1 118 LYS H . . 3.920 2.914 1.925 4.091 0.171 4 0 "[ . 1]" 1 965 1 118 LYS H 1 118 LYS QB . . 3.020 2.347 2.057 2.598 . 0 0 "[ . 1]" 1 966 1 118 LYS H 1 118 LYS HG2 . . 4.390 2.584 1.878 4.582 0.192 10 0 "[ . 1]" 1 967 1 118 LYS H 1 118 LYS QG . . 3.800 2.463 1.869 3.685 . 0 0 "[ . 1]" 1 968 1 118 LYS H 1 118 LYS HG3 . . 4.390 3.631 3.377 3.900 . 0 0 "[ . 1]" 1 969 1 118 LYS H 1 119 ILE H . . 3.730 2.683 2.580 2.816 . 0 0 "[ . 1]" 1 970 1 118 LYS H 1 133 ILE MD . . 4.490 3.208 2.691 3.979 . 0 0 "[ . 1]" 1 971 1 118 LYS HA 1 118 LYS HG2 . . 3.840 3.665 2.933 3.857 0.017 9 0 "[ . 1]" 1 972 1 118 LYS HA 1 118 LYS HG3 . . 3.840 3.573 2.181 3.919 0.079 4 0 "[ . 1]" 1 973 1 118 LYS HA 1 120 MET H . . 4.790 3.831 3.667 4.238 . 0 0 "[ . 1]" 1 974 1 118 LYS HA 1 121 LEU H . . 4.150 3.384 3.126 3.786 . 0 0 "[ . 1]" 1 975 1 118 LYS HA 1 133 ILE MD . . 3.580 2.795 1.881 3.439 . 0 0 "[ . 1]" 1 976 1 118 LYS QD 1 122 GLN QB . . 5.120 4.774 4.242 5.166 0.046 10 0 "[ . 1]" 1 977 1 118 LYS QG 1 119 ILE HA . . 4.490 3.310 2.952 4.732 0.242 10 0 "[ . 1]" 1 978 1 118 LYS QG 1 119 ILE MD . . 4.630 4.200 3.508 4.700 0.070 10 0 "[ . 1]" 1 979 1 118 LYS QG 1 122 GLN QB . . 4.460 3.647 3.084 4.068 . 0 0 "[ . 1]" 1 980 1 119 ILE H 1 119 ILE HB . . 3.050 2.335 2.103 2.605 . 0 0 "[ . 1]" 1 981 1 119 ILE H 1 119 ILE MD . . 4.200 3.516 2.316 4.013 . 0 0 "[ . 1]" 1 982 1 119 ILE H 1 119 ILE MG . . 4.150 3.602 3.312 3.768 . 0 0 "[ . 1]" 1 983 1 119 ILE H 1 121 LEU H . . 4.900 4.612 4.105 4.841 . 0 0 "[ . 1]" 1 984 1 119 ILE HA 1 119 ILE MD . . 3.910 3.723 3.407 3.839 . 0 0 "[ . 1]" 1 985 1 119 ILE HA 1 119 ILE HG12 . . 3.660 2.640 2.486 3.335 . 0 0 "[ . 1]" 1 986 1 119 ILE HA 1 119 ILE HG13 . . 3.660 2.533 2.175 3.020 . 0 0 "[ . 1]" 1 987 1 119 ILE HA 1 119 ILE MG . . 3.340 2.620 2.327 2.962 . 0 0 "[ . 1]" 1 988 1 119 ILE HA 1 120 MET HA . . 4.960 4.784 4.737 4.869 . 0 0 "[ . 1]" 1 989 1 119 ILE HA 1 122 GLN H . . 4.370 3.445 3.008 3.703 . 0 0 "[ . 1]" 1 990 1 119 ILE HA 1 122 GLN QB . . 3.720 2.317 1.990 2.632 . 0 0 "[ . 1]" 1 991 1 119 ILE HA 1 123 ALA H . . 5.000 4.701 4.276 5.015 0.015 8 0 "[ . 1]" 1 992 1 119 ILE HB 1 119 ILE MD . . 3.380 2.279 2.023 2.412 . 0 0 "[ . 1]" 1 993 1 119 ILE HB 1 120 MET H . . 3.380 3.034 2.751 3.385 0.005 8 0 "[ . 1]" 1 994 1 119 ILE MD 1 120 MET H . . 5.100 4.746 4.049 5.037 . 0 0 "[ . 1]" 1 995 1 119 ILE HG12 1 119 ILE MG . . 3.560 2.282 1.956 2.369 . 0 0 "[ . 1]" 1 996 1 119 ILE HG13 1 119 ILE MG . . 3.560 3.151 2.830 3.202 . 0 0 "[ . 1]" 1 997 1 119 ILE MG 1 120 MET H . . 4.180 3.109 2.485 3.692 . 0 0 "[ . 1]" 1 998 1 119 ILE MG 1 120 MET HA . . 4.630 3.218 2.823 3.705 . 0 0 "[ . 1]" 1 999 1 119 ILE MG 1 123 ALA H . . 4.910 4.490 4.059 4.921 0.011 8 0 "[ . 1]" 1 1000 1 119 ILE MG 1 123 ALA MB . . 4.140 3.888 3.102 4.160 0.020 4 0 "[ . 1]" 1 1001 1 120 MET H 1 121 LEU H . . 3.660 2.742 2.531 2.886 . 0 0 "[ . 1]" 1 1002 1 120 MET HA 1 123 ALA H . . 4.460 3.793 3.531 4.121 . 0 0 "[ . 1]" 1 1003 1 120 MET HA 1 123 ALA MB . . 4.180 3.503 2.798 4.174 . 0 0 "[ . 1]" 1 1004 1 120 MET QG 1 121 LEU H . . 4.090 3.192 1.940 3.922 . 0 0 "[ . 1]" 1 1005 1 120 MET QG 1 123 ALA H . . 5.690 4.897 4.552 5.576 . 0 0 "[ . 1]" 1 1006 1 121 LEU H 1 121 LEU QB . . 3.030 2.283 2.228 2.378 . 0 0 "[ . 1]" 1 1007 1 121 LEU H 1 121 LEU HG . . 3.640 2.777 2.503 2.974 . 0 0 "[ . 1]" 1 1008 1 121 LEU H 1 122 GLN QB . . 4.780 4.275 4.065 4.504 . 0 0 "[ . 1]" 1 1009 1 121 LEU HA 1 124 THR H . . 4.980 4.101 3.108 4.983 0.003 1 0 "[ . 1]" 1 1010 1 121 LEU HA 1 124 THR MG . . 4.090 2.556 1.893 3.577 . 0 0 "[ . 1]" 1 1011 1 121 LEU HG 1 122 GLN H . . 4.060 2.405 2.238 2.567 . 0 0 "[ . 1]" 1 1012 1 121 LEU HG 1 123 ALA H . . 4.820 4.696 4.604 4.827 0.007 4 0 "[ . 1]" 1 1013 1 122 GLN H 1 122 GLN QB . . 3.030 2.210 2.081 2.279 . 0 0 "[ . 1]" 1 1014 1 122 GLN H 1 122 GLN HG2 . . 4.580 4.228 2.868 4.510 . 0 0 "[ . 1]" 1 1015 1 122 GLN H 1 122 GLN QG . . 3.970 3.776 2.774 3.973 0.003 7 0 "[ . 1]" 1 1016 1 122 GLN H 1 122 GLN HG3 . . 4.580 4.290 3.690 4.522 . 0 0 "[ . 1]" 1 1017 1 122 GLN H 1 123 ALA H . . 3.190 2.536 2.352 2.664 . 0 0 "[ . 1]" 1 1018 1 122 GLN H 1 123 ALA MB . . 4.570 4.247 4.024 4.533 . 0 0 "[ . 1]" 1 1019 1 122 GLN H 1 124 THR MG . . 5.270 4.548 3.908 5.288 0.018 10 0 "[ . 1]" 1 1020 1 122 GLN HA 1 122 GLN QG . . 3.530 2.351 2.030 2.550 . 0 0 "[ . 1]" 1 1021 1 122 GLN QB 1 123 ALA H . . 4.080 2.978 2.872 3.152 . 0 0 "[ . 1]" 1 1022 1 122 GLN QG 1 123 ALA H . . 4.860 4.177 3.708 4.597 . 0 0 "[ . 1]" 1 1023 1 123 ALA H 1 123 ALA MB . . 2.950 2.299 2.157 2.550 . 0 0 "[ . 1]" 1 1024 1 123 ALA H 1 124 THR H . . 3.590 2.916 2.307 3.589 . 0 0 "[ . 1]" 1 1025 1 123 ALA H 1 124 THR MG . . 4.450 3.561 2.922 4.025 . 0 0 "[ . 1]" 1 1026 1 123 ALA MB 1 124 THR H . . 3.900 3.099 2.028 3.708 . 0 0 "[ . 1]" 1 1027 1 123 ALA MB 1 125 GLY H . . 5.260 4.778 4.234 5.255 . 0 0 "[ . 1]" 1 1028 1 124 THR H 1 124 THR MG . . 3.580 2.289 1.894 2.964 . 0 0 "[ . 1]" 1 1029 1 124 THR H 1 125 GLY H . . 3.320 2.230 1.894 3.023 . 0 0 "[ . 1]" 1 1030 1 124 THR MG 1 125 GLY H . . 4.810 2.491 1.883 3.891 . 0 0 "[ . 1]" 1 1031 1 124 THR MG 1 126 GLU H . . 4.330 2.664 1.931 4.334 0.004 7 0 "[ . 1]" 1 1032 1 124 THR MG 1 126 GLU QB . . 4.720 3.627 2.283 4.686 . 0 0 "[ . 1]" 1 1033 1 126 GLU H 1 127 THR H . . 4.770 3.992 3.229 4.631 . 0 0 "[ . 1]" 1 1034 1 126 GLU HA 1 126 GLU QG . . 3.520 2.364 2.072 3.243 . 0 0 "[ . 1]" 1 1035 1 126 GLU QB 1 126 GLU QG . . 2.190 2.040 2.014 2.084 . 0 0 "[ . 1]" 1 1036 1 126 GLU QB 1 127 THR H . . 4.430 2.357 1.884 3.809 . 0 0 "[ . 1]" 1 1037 1 126 GLU QB 1 127 THR HA . . 4.830 4.235 4.002 4.535 . 0 0 "[ . 1]" 1 1038 1 126 GLU QB 1 127 THR MG . . 4.960 4.080 2.475 4.873 . 0 0 "[ . 1]" 1 1039 1 127 THR H 1 127 THR HB . . 3.970 3.437 3.031 3.809 . 0 0 "[ . 1]" 1 1040 1 127 THR H 1 128 ILE H . . 3.970 2.789 1.888 3.565 . 0 0 "[ . 1]" 1 1041 1 127 THR H 1 128 ILE MG . . 4.130 3.035 2.628 3.873 . 0 0 "[ . 1]" 1 1042 1 127 THR HA 1 127 THR MG . . 3.460 2.653 1.985 3.195 . 0 0 "[ . 1]" 1 1043 1 127 THR HA 1 128 ILE H . . 3.410 2.712 2.318 3.432 0.022 2 0 "[ . 1]" 1 1044 1 127 THR HA 1 128 ILE HA . . 4.570 4.439 4.380 4.596 0.026 10 0 "[ . 1]" 1 1045 1 127 THR HA 1 128 ILE MG . . 4.790 4.328 4.091 4.707 . 0 0 "[ . 1]" 1 1046 1 127 THR HB 1 128 ILE H . . 4.720 4.355 3.903 4.631 . 0 0 "[ . 1]" 1 1047 1 127 THR MG 1 128 ILE H . . 4.460 4.073 3.453 4.417 . 0 0 "[ . 1]" 1 1048 1 128 ILE H 1 128 ILE HB . . 4.020 3.806 3.673 3.861 . 0 0 "[ . 1]" 1 1049 1 128 ILE H 1 128 ILE HG12 . . 4.070 2.504 2.113 3.234 . 0 0 "[ . 1]" 1 1050 1 128 ILE H 1 128 ILE HG13 . . 4.070 3.258 2.311 3.909 . 0 0 "[ . 1]" 1 1051 1 128 ILE H 1 128 ILE MG . . 3.560 2.852 2.579 3.080 . 0 0 "[ . 1]" 1 1052 1 128 ILE H 1 129 THR H . . 4.590 4.463 4.422 4.556 . 0 0 "[ . 1]" 1 1053 1 128 ILE HA 1 128 ILE MD . . 4.220 3.875 3.554 4.180 . 0 0 "[ . 1]" 1 1054 1 128 ILE HA 1 128 ILE MG . . 3.550 2.337 2.210 2.400 . 0 0 "[ . 1]" 1 1055 1 128 ILE HA 1 129 THR H . . 2.960 2.447 2.259 2.561 . 0 0 "[ . 1]" 1 1056 1 128 ILE HB 1 129 THR H . . 3.930 2.304 2.055 2.782 . 0 0 "[ . 1]" 1 1057 1 128 ILE HB 1 132 ASP HB2 . . 4.850 3.425 2.288 4.368 . 0 0 "[ . 1]" 1 1058 1 128 ILE HB 1 132 ASP HB3 . . 4.850 3.243 2.308 4.139 . 0 0 "[ . 1]" 1 1059 1 128 ILE MG 1 129 THR H . . 3.900 3.658 3.538 3.910 0.010 8 0 "[ . 1]" 1 1060 1 129 THR H 1 129 THR MG . . 3.300 2.950 2.622 3.302 0.002 1 0 "[ . 1]" 1 1061 1 129 THR H 1 132 ASP H . . 4.410 3.983 3.482 4.311 . 0 0 "[ . 1]" 1 1062 1 129 THR H 1 132 ASP HB2 . . 3.700 2.900 1.952 3.594 . 0 0 "[ . 1]" 1 1063 1 129 THR H 1 132 ASP HB3 . . 4.430 3.650 2.736 4.252 . 0 0 "[ . 1]" 1 1064 1 129 THR HA 1 129 THR MG . . 2.710 2.205 2.040 2.310 . 0 0 "[ . 1]" 1 1065 1 129 THR HA 1 130 GLU H . . 3.110 2.441 2.367 2.562 . 0 0 "[ . 1]" 1 1066 1 129 THR HB 1 131 ASP H . . 3.490 2.562 2.357 2.731 . 0 0 "[ . 1]" 1 1067 1 129 THR MG 1 130 GLU H . . 4.250 3.339 2.583 3.771 . 0 0 "[ . 1]" 1 1068 1 129 THR MG 1 131 ASP H . . 4.510 4.095 3.468 4.316 . 0 0 "[ . 1]" 1 1069 1 130 GLU H 1 130 GLU QB . . 3.190 2.325 2.151 2.652 . 0 0 "[ . 1]" 1 1070 1 130 GLU H 1 130 GLU QG . . 4.540 2.864 2.019 3.926 . 0 0 "[ . 1]" 1 1071 1 130 GLU H 1 131 ASP H . . 3.650 2.540 2.453 2.706 . 0 0 "[ . 1]" 1 1072 1 130 GLU HA 1 130 GLU QG . . 3.180 2.434 2.090 3.319 0.139 5 0 "[ . 1]" 1 1073 1 130 GLU QB 1 131 ASP H . . 3.300 2.848 2.531 3.354 0.054 5 0 "[ . 1]" 1 1074 1 130 GLU QG 1 131 ASP H . . 4.510 4.058 1.924 4.424 . 0 0 "[ . 1]" 1 1075 1 131 ASP H 1 131 ASP HB2 . . 3.730 2.379 2.090 3.585 . 0 0 "[ . 1]" 1 1076 1 131 ASP H 1 131 ASP QB . . 3.000 2.198 2.071 2.367 . 0 0 "[ . 1]" 1 1077 1 131 ASP H 1 131 ASP HB3 . . 3.730 3.138 2.401 3.576 . 0 0 "[ . 1]" 1 1078 1 131 ASP H 1 132 ASP H . . 3.260 2.583 2.419 2.784 . 0 0 "[ . 1]" 1 1079 1 131 ASP H 1 132 ASP HB2 . . 4.870 4.573 4.219 4.817 . 0 0 "[ . 1]" 1 1080 1 131 ASP H 1 133 ILE H . . 4.690 4.343 4.211 4.463 . 0 0 "[ . 1]" 1 1081 1 131 ASP QB 1 132 ASP H . . 4.390 3.043 2.812 3.668 . 0 0 "[ . 1]" 1 1082 1 131 ASP QB 1 134 GLU H . . 5.410 4.931 4.709 5.102 . 0 0 "[ . 1]" 1 1083 1 132 ASP H 1 132 ASP HB2 . . 3.210 2.288 2.087 2.550 . 0 0 "[ . 1]" 1 1084 1 132 ASP H 1 132 ASP HB3 . . 3.390 2.911 2.510 3.392 0.002 6 0 "[ . 1]" 1 1085 1 132 ASP H 1 133 ILE H . . 3.500 2.573 2.439 2.769 . 0 0 "[ . 1]" 1 1086 1 132 ASP H 1 133 ILE MG . . 5.710 4.379 4.033 4.613 . 0 0 "[ . 1]" 1 1087 1 132 ASP HA 1 134 GLU H . . 3.840 3.818 3.725 3.874 0.034 8 0 "[ . 1]" 1 1088 1 132 ASP HA 1 135 GLU H . . 3.910 3.546 3.418 3.718 . 0 0 "[ . 1]" 1 1089 1 132 ASP HA 1 135 GLU QB . . 4.330 3.470 3.093 4.169 . 0 0 "[ . 1]" 1 1090 1 132 ASP HB2 1 133 ILE H . . 3.900 3.567 3.170 3.902 0.002 1 0 "[ . 1]" 1 1091 1 132 ASP HB3 1 133 ILE H . . 3.880 2.784 2.587 3.205 . 0 0 "[ . 1]" 1 1092 1 132 ASP HB3 1 133 ILE MG . . 5.120 5.074 4.610 5.207 0.087 4 0 "[ . 1]" 1 1093 1 132 ASP HB3 1 134 GLU H . . 5.880 4.864 4.760 4.989 . 0 0 "[ . 1]" 1 1094 1 133 ILE H 1 133 ILE HB . . 3.540 2.239 2.127 2.403 . 0 0 "[ . 1]" 1 1095 1 133 ILE H 1 133 ILE MD . . 4.410 4.136 3.790 4.377 . 0 0 "[ . 1]" 1 1096 1 133 ILE H 1 133 ILE MG . . 3.630 2.721 2.310 3.012 . 0 0 "[ . 1]" 1 1097 1 133 ILE HA 1 133 ILE MG . . 3.220 3.134 3.080 3.196 . 0 0 "[ . 1]" 1 1098 1 133 ILE HA 1 135 GLU H . . 4.910 4.036 3.687 4.497 . 0 0 "[ . 1]" 1 1099 1 133 ILE HA 1 136 LEU H . . 4.140 3.189 3.073 3.287 . 0 0 "[ . 1]" 1 1100 1 133 ILE HA 1 136 LEU HB2 . . 4.410 2.530 2.072 2.775 . 0 0 "[ . 1]" 1 1101 1 133 ILE HA 1 136 LEU HB3 . . 4.410 3.866 2.255 4.428 0.018 5 0 "[ . 1]" 1 1102 1 133 ILE HA 1 136 LEU HG . . 4.350 4.218 3.745 4.357 0.007 3 0 "[ . 1]" 1 1103 1 133 ILE HA 1 137 MET H . . 5.360 4.692 3.939 5.108 . 0 0 "[ . 1]" 1 1104 1 133 ILE HB 1 133 ILE MD . . 3.260 2.859 2.041 3.230 . 0 0 "[ . 1]" 1 1105 1 133 ILE HB 1 134 GLU H . . 4.320 3.764 3.613 3.968 . 0 0 "[ . 1]" 1 1106 1 133 ILE MG 1 134 GLU H . . 3.710 2.191 1.999 2.306 . 0 0 "[ . 1]" 1 1107 1 133 ILE MG 1 134 GLU HA . . 3.750 2.973 2.863 3.156 . 0 0 "[ . 1]" 1 1108 1 133 ILE MG 1 134 GLU QG . . 4.310 3.646 3.062 4.219 . 0 0 "[ . 1]" 1 1109 1 133 ILE MG 1 137 MET H . . 4.680 4.669 4.476 4.759 0.079 10 0 "[ . 1]" 1 1110 1 133 ILE MG 1 137 MET QB . . 4.720 4.572 4.258 4.793 0.073 4 0 "[ . 1]" 1 1111 1 134 GLU H 1 134 GLU QG . . 4.100 3.553 3.152 3.917 . 0 0 "[ . 1]" 1 1112 1 134 GLU H 1 135 GLU H . . 3.200 2.712 2.585 2.853 . 0 0 "[ . 1]" 1 1113 1 134 GLU HA 1 134 GLU HG2 . . 4.080 2.455 2.026 3.213 . 0 0 "[ . 1]" 1 1114 1 134 GLU HA 1 134 GLU QG . . 3.510 2.157 2.007 2.374 . 0 0 "[ . 1]" 1 1115 1 134 GLU HA 1 134 GLU HG3 . . 4.080 2.803 2.042 3.384 . 0 0 "[ . 1]" 1 1116 1 134 GLU HA 1 137 MET H . . 4.190 3.971 3.764 4.200 0.010 2 0 "[ . 1]" 1 1117 1 135 GLU H 1 135 GLU QB . . 2.550 2.171 2.072 2.396 . 0 0 "[ . 1]" 1 1118 1 135 GLU H 1 135 GLU QG . . 4.590 3.471 2.440 4.013 . 0 0 "[ . 1]" 1 1119 1 135 GLU HA 1 135 GLU QG . . 3.650 2.268 2.052 2.469 . 0 0 "[ . 1]" 1 1120 1 135 GLU QB 1 136 LEU H . . 3.420 2.862 2.717 2.923 . 0 0 "[ . 1]" 1 1121 1 135 GLU QG 1 136 LEU H . . 5.030 4.487 4.222 4.674 . 0 0 "[ . 1]" 1 1122 1 136 LEU H 1 136 LEU HB2 . . 3.470 2.098 2.040 2.560 . 0 0 "[ . 1]" 1 1123 1 136 LEU H 1 136 LEU HB3 . . 3.470 3.182 2.446 3.348 . 0 0 "[ . 1]" 1 1124 1 136 LEU H 1 136 LEU MD1 . . 4.130 3.726 3.562 3.988 . 0 0 "[ . 1]" 1 1125 1 136 LEU H 1 137 MET H . . 3.240 2.900 2.693 3.002 . 0 0 "[ . 1]" 1 1126 1 136 LEU HA 1 156 PHE QE . . 5.370 3.780 3.241 4.503 . 0 0 "[ . 1]" 1 1127 1 136 LEU QB 1 137 MET H . . 3.120 2.373 2.210 2.928 . 0 0 "[ . 1]" 1 1128 1 136 LEU QB 1 156 PHE QE . . 5.040 3.960 2.863 4.682 . 0 0 "[ . 1]" 1 1129 1 136 LEU HB2 1 137 MET H . . 3.580 3.050 2.787 3.704 0.124 6 0 "[ . 1]" 1 1130 1 136 LEU HB3 1 137 MET H . . 3.580 2.501 2.228 3.174 . 0 0 "[ . 1]" 1 1131 1 136 LEU MD2 1 156 PHE HE1 . . 3.920 2.365 1.910 2.953 . 0 0 "[ . 1]" 1 1132 1 137 MET H 1 137 MET QB . . 3.400 2.205 2.040 2.255 . 0 0 "[ . 1]" 1 1133 1 137 MET H 1 138 LYS H . . 3.270 2.771 2.628 2.910 . 0 0 "[ . 1]" 1 1134 1 137 MET HA 1 140 GLY H . . 4.090 3.420 2.982 3.784 . 0 0 "[ . 1]" 1 1135 1 137 MET HA 1 148 ILE MD . . 3.870 3.140 2.383 3.659 . 0 0 "[ . 1]" 1 1136 1 137 MET QB 1 140 GLY H . . 5.750 4.916 4.494 5.389 . 0 0 "[ . 1]" 1 1137 1 137 MET ME 1 140 GLY H . . 5.620 5.451 5.048 5.639 0.019 2 0 "[ . 1]" 1 1138 1 137 MET ME 1 141 ASP H . . 5.250 4.660 3.998 5.250 . 8 0 "[ . 1]" 1 1139 1 137 MET ME 1 147 ARG H . . 4.810 4.490 4.114 4.816 0.006 9 0 "[ . 1]" 1 1140 1 137 MET ME 1 147 ARG HA . . 3.050 2.276 1.914 3.060 0.010 4 0 "[ . 1]" 1 1141 1 137 MET ME 1 148 ILE H . . 3.820 2.540 2.319 2.831 . 0 0 "[ . 1]" 1 1142 1 137 MET ME 1 148 ILE MD . . 3.930 2.644 1.933 3.587 . 0 0 "[ . 1]" 1 1143 1 138 LYS H 1 138 LYS QG . . 4.420 3.450 2.267 4.046 . 0 0 "[ . 1]" 1 1144 1 138 LYS HA 1 138 LYS QD . . 3.050 2.429 1.965 3.021 . 0 0 "[ . 1]" 1 1145 1 138 LYS HA 1 138 LYS QG . . 3.510 2.471 2.172 2.719 . 0 0 "[ . 1]" 1 1146 1 138 LYS HA 1 139 ASP HA . . 4.710 4.710 4.665 4.771 0.061 4 0 "[ . 1]" 1 1147 1 139 ASP H 1 139 ASP QB . . 2.940 2.258 2.084 2.549 . 0 0 "[ . 1]" 1 1148 1 139 ASP H 1 140 GLY H . . 3.030 2.515 2.333 2.760 . 0 0 "[ . 1]" 1 1149 1 139 ASP QB 1 140 GLY H . . 4.230 2.866 2.278 3.389 . 0 0 "[ . 1]" 1 1150 1 140 GLY H 1 141 ASP QB . . 5.120 4.407 3.816 4.685 . 0 0 "[ . 1]" 1 1151 1 140 GLY H 1 148 ILE MD . . 4.670 3.925 3.053 4.352 . 0 0 "[ . 1]" 1 1152 1 140 GLY QA 1 148 ILE MD . . 3.870 2.325 1.875 2.586 . 0 0 "[ . 1]" 1 1153 1 140 GLY QA 1 156 PHE QB . . 4.670 3.914 3.291 4.573 . 0 0 "[ . 1]" 1 1154 1 140 GLY QA 1 156 PHE HD1 . . 3.800 2.846 2.377 3.297 . 0 0 "[ . 1]" 1 1155 1 141 ASP H 1 141 ASP HB2 . . 4.030 2.588 2.195 3.697 . 0 0 "[ . 1]" 1 1156 1 141 ASP H 1 141 ASP QB . . 3.220 2.256 2.137 2.692 . 0 0 "[ . 1]" 1 1157 1 141 ASP H 1 141 ASP HB3 . . 4.030 2.663 2.278 2.939 . 0 0 "[ . 1]" 1 1158 1 141 ASP H 1 148 ILE MD . . 4.480 3.604 2.686 4.250 . 0 0 "[ . 1]" 1 1159 1 141 ASP HA 1 142 LYS H . . 3.030 2.328 2.149 2.817 . 0 0 "[ . 1]" 1 1160 1 141 ASP HA 1 143 ASN H . . 4.270 3.668 3.219 4.128 . 0 0 "[ . 1]" 1 1161 1 141 ASP HA 1 148 ILE MD . . 4.530 3.910 3.291 4.649 0.119 3 0 "[ . 1]" 1 1162 1 141 ASP QB 1 148 ILE MD . . 5.090 4.016 2.984 5.015 . 0 0 "[ . 1]" 1 1163 1 142 LYS H 1 142 LYS QB . . 3.210 2.520 2.258 2.860 . 0 0 "[ . 1]" 1 1164 1 142 LYS H 1 142 LYS QG . . 4.310 4.145 3.994 4.309 . 0 0 "[ . 1]" 1 1165 1 142 LYS H 1 143 ASN H . . 2.920 2.046 1.870 2.696 . 0 0 "[ . 1]" 1 1166 1 142 LYS H 1 152 GLU QB . . 4.310 3.808 3.186 4.324 0.014 8 0 "[ . 1]" 1 1167 1 142 LYS H 1 152 GLU QG . . 4.110 2.280 1.869 3.974 . 0 0 "[ . 1]" 1 1168 1 142 LYS HA 1 142 LYS QD . . 3.410 2.453 1.948 3.074 . 0 0 "[ . 1]" 1 1169 1 142 LYS HA 1 142 LYS QG . . 3.630 2.522 2.143 3.021 . 0 0 "[ . 1]" 1 1170 1 142 LYS QB 1 143 ASN H . . 3.610 3.009 2.566 3.633 0.023 2 0 "[ . 1]" 1 1171 1 142 LYS QB 1 143 ASN QB . . 5.020 4.314 3.985 4.574 . 0 0 "[ . 1]" 1 1172 1 142 LYS QB 1 144 ASN H . . 5.620 4.615 2.731 5.712 0.092 10 0 "[ . 1]" 1 1173 1 142 LYS QD 1 143 ASN H . . 5.130 4.660 4.123 5.103 . 0 0 "[ . 1]" 1 1174 1 142 LYS QG 1 143 ASN H . . 5.200 4.379 3.904 4.841 . 0 0 "[ . 1]" 1 1175 1 143 ASN H 1 143 ASN HB2 . . 4.030 2.567 2.089 3.520 . 0 0 "[ . 1]" 1 1176 1 143 ASN H 1 143 ASN QB . . 3.450 2.366 2.070 3.326 . 0 0 "[ . 1]" 1 1177 1 143 ASN H 1 143 ASN HB3 . . 4.030 3.152 2.404 4.092 0.062 8 0 "[ . 1]" 1 1178 1 143 ASN H 1 144 ASN H . . 3.080 2.723 2.469 3.113 0.033 5 0 "[ . 1]" 1 1179 1 143 ASN H 1 144 ASN HA . . 4.950 4.848 4.652 5.108 0.158 8 0 "[ . 1]" 1 1180 1 143 ASN H 1 144 ASN QB . . 5.400 5.023 4.900 5.284 . 0 0 "[ . 1]" 1 1181 1 143 ASN H 1 145 ASP H . . 4.860 4.292 3.291 4.898 0.038 10 0 "[ . 1]" 1 1182 1 143 ASN H 1 152 GLU QB . . 4.550 4.533 4.329 4.747 0.197 8 0 "[ . 1]" 1 1183 1 143 ASN H 1 152 GLU QG . . 4.610 2.898 2.527 4.317 . 0 0 "[ . 1]" 1 1184 1 143 ASN QB 1 144 ASN H . . 4.180 3.010 1.968 3.716 . 0 0 "[ . 1]" 1 1185 1 143 ASN HB2 1 144 ASN H . . 4.780 3.582 2.152 4.499 . 0 0 "[ . 1]" 1 1186 1 143 ASN HB3 1 144 ASN H . . 4.780 3.416 1.978 4.397 . 0 0 "[ . 1]" 1 1187 1 144 ASN H 1 144 ASN HA . . 2.900 2.476 2.274 2.794 . 0 0 "[ . 1]" 1 1188 1 144 ASN H 1 144 ASN HB2 . . 4.140 3.244 2.960 3.758 . 0 0 "[ . 1]" 1 1189 1 144 ASN H 1 144 ASN QB . . 3.510 2.982 2.870 3.117 . 0 0 "[ . 1]" 1 1190 1 144 ASN H 1 144 ASN HB3 . . 4.140 3.668 3.150 4.087 . 0 0 "[ . 1]" 1 1191 1 144 ASN H 1 145 ASP H . . 3.470 2.460 1.742 3.283 . 0 0 "[ . 1]" 1 1192 1 144 ASN HA 1 145 ASP H . . 3.530 2.972 2.272 3.517 . 0 0 "[ . 1]" 1 1193 1 144 ASN HA 1 146 GLY H . . 4.020 3.765 3.217 4.064 0.044 9 0 "[ . 1]" 1 1194 1 145 ASP H 1 146 GLY H . . 3.180 2.216 1.654 2.787 . 0 0 "[ . 1]" 1 1195 1 145 ASP H 1 146 GLY QA . . 4.880 4.089 3.567 4.626 . 0 0 "[ . 1]" 1 1196 1 145 ASP HA 1 147 ARG QD . . 4.810 4.710 4.465 4.824 0.014 9 0 "[ . 1]" 1 1197 1 145 ASP QB 1 147 ARG QD . . 4.510 2.728 1.966 3.468 . 0 0 "[ . 1]" 1 1198 1 145 ASP HB2 1 146 GLY H . . 4.740 3.674 2.624 4.428 . 0 0 "[ . 1]" 1 1199 1 145 ASP HB3 1 146 GLY H . . 4.740 4.147 3.719 4.543 . 0 0 "[ . 1]" 1 1200 1 146 GLY H 1 147 ARG H . . 3.240 2.379 1.989 2.816 . 0 0 "[ . 1]" 1 1201 1 147 ARG H 1 147 ARG QB . . 3.560 3.038 2.574 3.255 . 0 0 "[ . 1]" 1 1202 1 147 ARG H 1 147 ARG QG . . 3.500 2.454 2.029 3.718 0.218 8 0 "[ . 1]" 1 1203 1 147 ARG H 1 148 ILE H . . 5.020 4.382 4.180 4.519 . 0 0 "[ . 1]" 1 1204 1 147 ARG HA 1 148 ILE H . . 3.340 2.319 2.166 2.429 . 0 0 "[ . 1]" 1 1205 1 147 ARG HB2 1 148 ILE H . . 4.460 2.816 2.419 4.334 . 0 0 "[ . 1]" 1 1206 1 147 ARG HB3 1 148 ILE H . . 4.460 3.843 3.249 4.151 . 0 0 "[ . 1]" 1 1207 1 147 ARG QG 1 148 ILE H . . 4.440 3.628 3.374 4.202 . 0 0 "[ . 1]" 1 1208 1 148 ILE H 1 148 ILE HB . . 3.400 2.619 2.292 2.761 . 0 0 "[ . 1]" 1 1209 1 148 ILE H 1 148 ILE MD . . 4.520 3.575 3.253 3.899 . 0 0 "[ . 1]" 1 1210 1 148 ILE H 1 148 ILE HG12 . . 4.280 2.838 2.068 4.144 . 0 0 "[ . 1]" 1 1211 1 148 ILE H 1 148 ILE HG13 . . 4.280 2.868 2.071 3.619 . 0 0 "[ . 1]" 1 1212 1 148 ILE H 1 148 ILE MG . . 4.780 3.778 3.641 3.817 . 0 0 "[ . 1]" 1 1213 1 148 ILE HA 1 148 ILE MD . . 4.150 3.125 2.099 3.810 . 0 0 "[ . 1]" 1 1214 1 148 ILE HA 1 148 ILE MG . . 3.470 2.293 2.216 2.573 . 0 0 "[ . 1]" 1 1215 1 148 ILE HA 1 149 ASP H . . 3.100 2.186 2.153 2.202 . 0 0 "[ . 1]" 1 1216 1 148 ILE HA 1 152 GLU H . . 5.300 4.569 4.081 4.913 . 0 0 "[ . 1]" 1 1217 1 148 ILE HA 1 152 GLU QB . . 4.490 2.502 2.228 2.904 . 0 0 "[ . 1]" 1 1218 1 148 ILE HB 1 148 ILE MD . . 3.750 2.760 2.337 3.226 . 0 0 "[ . 1]" 1 1219 1 148 ILE MD 1 148 ILE MG . . 3.280 1.936 1.874 2.030 . 0 0 "[ . 1]" 1 1220 1 148 ILE MD 1 156 PHE HE1 . . 4.350 4.030 3.467 4.230 . 0 0 "[ . 1]" 1 1221 1 148 ILE MG 1 149 ASP H . . 3.920 2.712 2.297 3.152 . 0 0 "[ . 1]" 1 1222 1 148 ILE MG 1 151 ASP H . . 5.400 4.298 3.786 5.494 0.094 9 0 "[ . 1]" 1 1223 1 148 ILE MG 1 152 GLU H . . 4.610 3.624 3.089 3.954 . 0 0 "[ . 1]" 1 1224 1 148 ILE MG 1 152 GLU QB . . 3.490 2.180 1.912 2.542 . 0 0 "[ . 1]" 1 1225 1 148 ILE MG 1 152 GLU QG . . 5.070 3.947 3.387 4.402 . 0 0 "[ . 1]" 1 1226 1 149 ASP H 1 152 GLU H . . 4.340 3.167 2.794 3.673 . 0 0 "[ . 1]" 1 1227 1 149 ASP H 1 152 GLU QB . . 3.750 2.278 1.819 3.105 . 0 0 "[ . 1]" 1 1228 1 149 ASP H 1 152 GLU QG . . 4.670 3.736 3.249 4.263 . 0 0 "[ . 1]" 1 1229 1 149 ASP HA 1 150 TYR H . . 3.500 2.717 2.578 2.832 . 0 0 "[ . 1]" 1 1230 1 149 ASP QB 1 151 ASP H . . 4.840 3.635 2.293 4.544 . 0 0 "[ . 1]" 1 1231 1 149 ASP HB2 1 150 TYR H . . 3.880 3.050 1.961 3.706 . 0 0 "[ . 1]" 1 1232 1 149 ASP HB3 1 150 TYR H . . 3.880 2.663 1.949 3.765 . 0 0 "[ . 1]" 1 1233 1 150 TYR H 1 150 TYR HD1 . . 4.910 4.706 4.568 4.869 . 0 0 "[ . 1]" 1 1234 1 150 TYR H 1 151 ASP H . . 3.630 3.405 2.457 3.661 0.031 4 0 "[ . 1]" 1 1235 1 150 TYR HD1 1 151 ASP H . . 4.110 3.770 3.616 4.145 0.035 9 0 "[ . 1]" 1 1236 1 150 TYR HD1 1 151 ASP HA . . 4.420 3.679 3.477 4.127 . 0 0 "[ . 1]" 1 1237 1 150 TYR HD1 1 154 LEU MD1 . . 3.780 3.503 3.020 3.695 . 0 0 "[ . 1]" 1 1238 1 150 TYR HD1 1 154 LEU MD2 . . 4.120 3.591 3.358 3.972 . 0 0 "[ . 1]" 1 1239 1 150 TYR HE1 1 154 LEU MD1 . . 4.000 3.794 3.635 3.852 . 0 0 "[ . 1]" 1 1240 1 151 ASP H 1 152 GLU H . . 3.390 1.970 1.882 2.272 . 0 0 "[ . 1]" 1 1241 1 151 ASP H 1 152 GLU QB . . 3.770 3.796 3.664 3.977 0.207 8 0 "[ . 1]" 1 1242 1 151 ASP H 1 154 LEU HG . . 5.700 4.042 3.601 4.663 . 0 0 "[ . 1]" 1 1243 1 151 ASP HA 1 154 LEU H . . 4.190 3.921 3.683 4.147 . 0 0 "[ . 1]" 1 1244 1 151 ASP HA 1 154 LEU QB . . 4.420 4.034 3.646 4.359 . 0 0 "[ . 1]" 1 1245 1 151 ASP HA 1 154 LEU MD1 . . 4.760 2.520 1.923 2.843 . 0 0 "[ . 1]" 1 1246 1 151 ASP HA 1 154 LEU MD2 . . 4.760 3.926 3.646 4.519 . 0 0 "[ . 1]" 1 1247 1 151 ASP HA 1 154 LEU HG . . 4.830 2.750 2.346 3.590 . 0 0 "[ . 1]" 1 1248 1 151 ASP HA 1 155 GLU H . . 5.640 5.090 4.632 5.561 . 0 0 "[ . 1]" 1 1249 1 152 GLU H 1 152 GLU QB . . 3.290 2.242 2.088 2.513 . 0 0 "[ . 1]" 1 1250 1 152 GLU H 1 152 GLU QG . . 4.120 3.166 2.349 3.796 . 0 0 "[ . 1]" 1 1251 1 152 GLU H 1 154 LEU HG . . 5.280 4.497 4.206 5.040 . 0 0 "[ . 1]" 1 1252 1 152 GLU HA 1 152 GLU QG . . 3.420 2.254 2.000 2.528 . 0 0 "[ . 1]" 1 1253 1 154 LEU H 1 154 LEU QB . . 3.330 2.684 2.562 2.730 . 0 0 "[ . 1]" 1 1254 1 154 LEU H 1 154 LEU MD1 . . 4.330 3.523 3.004 3.636 . 0 0 "[ . 1]" 1 1255 1 154 LEU H 1 154 LEU MD2 . . 4.330 2.749 2.494 3.631 . 0 0 "[ . 1]" 1 1256 1 154 LEU H 1 155 GLU H . . 3.790 2.612 2.471 2.754 . 0 0 "[ . 1]" 1 1257 1 154 LEU H 1 156 PHE H . . 4.490 3.597 3.521 3.710 . 0 0 "[ . 1]" 1 1258 1 154 LEU HA 1 154 LEU HG . . 3.590 3.409 2.926 3.540 . 0 0 "[ . 1]" 1 1259 1 154 LEU HA 1 157 MET H . . 5.120 4.798 4.610 5.021 . 0 0 "[ . 1]" 1 1260 1 154 LEU QB 1 155 GLU H . . 3.820 2.359 2.148 2.700 . 0 0 "[ . 1]" 1 1261 1 154 LEU QB 1 156 PHE H . . 4.900 4.232 4.119 4.422 . 0 0 "[ . 1]" 1 1262 1 154 LEU MD1 1 155 GLU H . . 5.260 4.144 3.885 4.459 . 0 0 "[ . 1]" 1 1263 1 154 LEU MD2 1 155 GLU H . . 5.260 4.399 4.277 4.869 . 0 0 "[ . 1]" 1 1264 1 154 LEU HG 1 155 GLU H . . 4.180 3.698 3.515 4.151 . 0 0 "[ . 1]" 1 1265 1 154 LEU HG 1 156 PHE H . . 5.400 5.325 5.214 5.460 0.060 8 0 "[ . 1]" 1 1266 1 155 GLU H 1 155 GLU QB . . 3.190 2.295 2.111 2.526 . 0 0 "[ . 1]" 1 1267 1 155 GLU H 1 155 GLU QG . . 4.300 2.994 2.026 3.856 . 0 0 "[ . 1]" 1 1268 1 155 GLU H 1 156 PHE H . . 3.550 2.525 2.386 2.586 . 0 0 "[ . 1]" 1 1269 1 155 GLU H 1 156 PHE QB . . 5.140 4.237 4.111 4.288 . 0 0 "[ . 1]" 1 1270 1 155 GLU H 1 157 MET H . . 5.330 5.260 5.207 5.315 . 0 0 "[ . 1]" 1 1271 1 155 GLU QB 1 156 PHE H . . 3.700 3.384 3.206 3.764 0.064 2 0 "[ . 1]" 1 1272 1 155 GLU QB 1 158 LYS H . . 5.810 4.783 4.435 5.576 . 0 0 "[ . 1]" 1 1273 1 155 GLU QG 1 156 PHE H . . 4.880 3.956 2.624 4.724 . 0 0 "[ . 1]" 1 1274 1 156 PHE H 1 156 PHE HB2 . . 3.400 2.124 2.105 2.179 . 0 0 "[ . 1]" 1 1275 1 156 PHE H 1 156 PHE HB3 . . 3.400 3.129 2.998 3.186 . 0 0 "[ . 1]" 1 1276 1 156 PHE H 1 156 PHE HD1 . . 4.650 4.550 4.485 4.594 . 0 0 "[ . 1]" 1 1277 1 156 PHE H 1 157 MET H . . 3.670 3.180 3.115 3.214 . 0 0 "[ . 1]" 1 1278 1 156 PHE H 1 158 LYS H . . 5.300 4.429 3.911 5.097 . 0 0 "[ . 1]" 1 1279 1 156 PHE HA 1 156 PHE HD1 . . 3.530 2.120 2.026 2.188 . 0 0 "[ . 1]" 1 1280 1 156 PHE HA 1 156 PHE HE1 . . 4.110 4.267 4.239 4.295 0.185 5 0 "[ . 1]" 1 1281 1 156 PHE QB 1 156 PHE HD1 . . 3.260 2.954 2.917 3.022 . 0 0 "[ . 1]" 1 1282 1 156 PHE QB 1 157 MET H . . 3.410 2.053 2.007 2.096 . 0 0 "[ . 1]" 1 1283 1 156 PHE HB2 1 157 MET H . . 4.160 3.168 3.096 3.301 . 0 0 "[ . 1]" 1 1284 1 156 PHE HB3 1 157 MET H . . 4.160 2.080 2.024 2.130 . 0 0 "[ . 1]" 1 1285 1 156 PHE HD1 1 157 MET H . . 3.990 4.196 4.107 4.251 0.261 1 0 "[ . 1]" 1 1286 1 156 PHE HD1 1 157 MET HA . . 4.830 4.319 4.136 4.421 . 0 0 "[ . 1]" 1 1287 1 156 PHE HD1 1 157 MET ME . . 5.040 3.628 3.286 4.168 . 0 0 "[ . 1]" 1 1288 1 156 PHE QE 1 157 MET ME . . 4.180 4.109 3.847 4.286 0.106 3 0 "[ . 1]" 1 1289 1 157 MET H 1 158 LYS H . . 3.580 2.916 2.232 3.623 0.043 1 0 "[ . 1]" 1 1290 1 157 MET H 1 158 LYS QD . . 5.750 4.957 4.004 5.759 0.009 4 0 "[ . 1]" 1 1291 1 157 MET HA 1 157 MET ME . . 4.050 3.752 3.369 3.869 . 0 0 "[ . 1]" 1 1292 1 158 LYS H 1 158 LYS QD . . 3.720 3.388 2.581 3.828 0.108 9 0 "[ . 1]" 1 1293 1 158 LYS H 1 159 GLY H . . 4.150 3.518 2.397 4.360 0.210 2 0 "[ . 1]" 1 1294 1 158 LYS HA 1 159 GLY H . . 3.360 2.760 2.145 3.557 0.197 7 0 "[ . 1]" 1 1295 1 158 LYS QB 1 159 GLY QA . . 4.480 4.071 3.573 4.439 . 0 0 "[ . 1]" 1 1296 1 159 GLY H 1 160 VAL H . . 3.720 2.612 1.908 3.722 0.002 2 0 "[ . 1]" 1 1297 1 159 GLY QA 1 160 VAL H . . 3.100 2.604 2.116 2.863 . 0 0 "[ . 1]" 1 1298 1 160 VAL H 1 160 VAL HB . . 3.820 2.941 2.595 3.638 . 0 0 "[ . 1]" 1 1299 1 160 VAL H 1 161 GLU H . . 4.780 4.550 4.434 4.626 . 0 0 "[ . 1]" 1 1300 1 160 VAL HA 1 160 VAL MG1 . . 3.600 2.393 2.220 3.184 . 0 0 "[ . 1]" 1 1301 1 160 VAL HA 1 160 VAL MG2 . . 3.600 2.622 2.305 3.203 . 0 0 "[ . 1]" 1 1302 1 160 VAL HA 1 161 GLU H . . 2.780 2.225 2.143 2.393 . 0 0 "[ . 1]" 1 1303 1 160 VAL HB 1 161 GLU H . . 4.170 3.600 2.426 4.172 0.002 7 0 "[ . 1]" 1 1304 1 160 VAL MG1 1 161 GLU H . . 4.630 2.977 2.035 3.932 . 0 0 "[ . 1]" 1 1305 1 160 VAL MG2 1 161 GLU H . . 4.630 3.715 2.211 4.153 . 0 0 "[ . 1]" 1 stop_ save_
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