NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
616214 | 2nbp | 25987 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nbp 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 2211 _Distance_constraint_stats_list.Viol_count 2691 _Distance_constraint_stats_list.Viol_total 1102.091 _Distance_constraint_stats_list.Viol_max 0.399 _Distance_constraint_stats_list.Viol_rms 0.0077 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0012 _Distance_constraint_stats_list.Viol_average_violations_only 0.0205 _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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 2 PRO 0.127 0.082 20 0 "[ . 1 . 2]" 1 3 THR 0.662 0.399 20 0 "[ . 1 . 2]" 1 4 GLY 0.536 0.399 20 0 "[ . 1 . 2]" 1 5 THR 1.419 0.115 16 0 "[ . 1 . 2]" 1 6 GLY 0.208 0.101 13 0 "[ . 1 . 2]" 1 7 GLU 0.001 0.001 14 0 "[ . 1 . 2]" 1 8 SER 0.040 0.038 9 0 "[ . 1 . 2]" 1 9 LYS 0.035 0.017 2 0 "[ . 1 . 2]" 1 10 CYS 0.046 0.020 2 0 "[ . 1 . 2]" 1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 LEU 0.512 0.146 15 0 "[ . 1 . 2]" 1 13 MET 0.374 0.056 2 0 "[ . 1 . 2]" 1 14 VAL 0.001 0.001 13 0 "[ . 1 . 2]" 1 15 LYS 0.874 0.050 5 0 "[ . 1 . 2]" 1 16 VAL 0.406 0.024 13 0 "[ . 1 . 2]" 1 17 LEU 1.906 0.064 19 0 "[ . 1 . 2]" 1 18 ASP 1.273 0.053 3 0 "[ . 1 . 2]" 1 19 ALA 0.855 0.074 16 0 "[ . 1 . 2]" 1 20 VAL 1.514 0.053 14 0 "[ . 1 . 2]" 1 21 ARG 2.514 0.053 14 0 "[ . 1 . 2]" 1 22 GLY 0.064 0.016 16 0 "[ . 1 . 2]" 1 23 SER 0.192 0.020 18 0 "[ . 1 . 2]" 1 24 PRO 2.816 0.076 3 0 "[ . 1 . 2]" 1 25 ALA 1.451 0.064 19 0 "[ . 1 . 2]" 1 26 ILE 6.896 0.099 12 0 "[ . 1 . 2]" 1 27 ASN 3.871 0.067 3 0 "[ . 1 . 2]" 1 28 VAL 2.105 0.115 13 0 "[ . 1 . 2]" 1 29 ALA 2.115 0.055 16 0 "[ . 1 . 2]" 1 30 VAL 2.944 0.098 15 0 "[ . 1 . 2]" 1 31 HIS 2.909 0.098 15 0 "[ . 1 . 2]" 1 32 VAL 1.229 0.045 18 0 "[ . 1 . 2]" 1 33 PHE 2.361 0.091 10 0 "[ . 1 . 2]" 1 34 ARG 1.281 0.091 10 0 "[ . 1 . 2]" 1 35 LYS 2.977 0.125 17 0 "[ . 1 . 2]" 1 36 ALA 2.458 0.112 11 0 "[ . 1 . 2]" 1 37 ALA 0.601 0.085 17 0 "[ . 1 . 2]" 1 38 ASP 0.645 0.067 6 0 "[ . 1 . 2]" 1 39 ASP 1.677 0.106 10 0 "[ . 1 . 2]" 1 40 THR 0.721 0.047 6 0 "[ . 1 . 2]" 1 41 TRP 2.993 0.125 17 0 "[ . 1 . 2]" 1 42 GLU 1.105 0.039 17 0 "[ . 1 . 2]" 1 43 PRO 1.982 0.069 9 0 "[ . 1 . 2]" 1 44 PHE 1.400 0.097 16 0 "[ . 1 . 2]" 1 45 ALA 0.061 0.011 12 0 "[ . 1 . 2]" 1 46 SER 0.372 0.022 19 0 "[ . 1 . 2]" 1 47 GLY 1.092 0.055 19 0 "[ . 1 . 2]" 1 48 LYS 2.081 0.055 19 0 "[ . 1 . 2]" 1 49 THR 0.954 0.115 13 0 "[ . 1 . 2]" 1 50 SER 0.315 0.106 20 0 "[ . 1 . 2]" 1 51 GLU 1.817 0.106 20 0 "[ . 1 . 2]" 1 52 SER 1.376 0.076 3 0 "[ . 1 . 2]" 1 53 GLY 0.642 0.050 5 0 "[ . 1 . 2]" 1 54 GLU 0.127 0.024 16 0 "[ . 1 . 2]" 1 55 LEU 0.152 0.040 12 0 "[ . 1 . 2]" 1 56 HIS 0.077 0.011 10 0 "[ . 1 . 2]" 1 57 GLY 0.046 0.020 2 0 "[ . 1 . 2]" 1 58 LEU 0.288 0.058 5 0 "[ . 1 . 2]" 1 59 THR 0.549 0.051 4 0 "[ . 1 . 2]" 1 60 THR 1.475 0.059 10 0 "[ . 1 . 2]" 1 61 GLU 0.835 0.059 10 0 "[ . 1 . 2]" 1 62 GLU 0.052 0.010 10 0 "[ . 1 . 2]" 1 63 GLU 0.036 0.008 4 0 "[ . 1 . 2]" 1 64 PHE 0.024 0.007 18 0 "[ . 1 . 2]" 1 65 VAL 0.008 0.003 15 0 "[ . 1 . 2]" 1 66 GLU 0.004 0.002 10 0 "[ . 1 . 2]" 1 67 GLY 0.021 0.004 20 0 "[ . 1 . 2]" 1 68 ILE 0.179 0.018 17 0 "[ . 1 . 2]" 1 69 TYR 0.266 0.053 18 0 "[ . 1 . 2]" 1 70 LYS 1.942 0.173 9 0 "[ . 1 . 2]" 1 71 VAL 0.712 0.039 14 0 "[ . 1 . 2]" 1 72 GLU 0.374 0.048 9 0 "[ . 1 . 2]" 1 73 ILE 0.275 0.021 17 0 "[ . 1 . 2]" 1 74 ASP 0.013 0.006 11 0 "[ . 1 . 2]" 1 75 THR 0.061 0.016 7 0 "[ . 1 . 2]" 1 76 LYS 0.520 0.052 12 0 "[ . 1 . 2]" 1 77 SER 0.478 0.042 16 0 "[ . 1 . 2]" 1 78 TYR 0.862 0.052 12 0 "[ . 1 . 2]" 1 79 TRP 4.568 0.109 7 0 "[ . 1 . 2]" 1 80 LYS 0.609 0.041 7 0 "[ . 1 . 2]" 1 81 ALA 0.510 0.042 16 0 "[ . 1 . 2]" 1 82 LEU 2.717 0.109 7 0 "[ . 1 . 2]" 1 83 GLY 1.108 0.070 7 0 "[ . 1 . 2]" 1 84 ILE 5.738 0.093 10 0 "[ . 1 . 2]" 1 85 SER 2.201 0.093 10 0 "[ . 1 . 2]" 1 87 MET 0.179 0.081 18 0 "[ . 1 . 2]" 1 88 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 HIS 0.059 0.015 17 0 "[ . 1 . 2]" 1 91 ALA 0.055 0.009 1 0 "[ . 1 . 2]" 1 92 GLU 0.530 0.052 11 0 "[ . 1 . 2]" 1 93 VAL 0.144 0.017 4 0 "[ . 1 . 2]" 1 94 VAL 0.181 0.017 4 0 "[ . 1 . 2]" 1 95 PHE 0.218 0.016 7 0 "[ . 1 . 2]" 1 96 THR 0.066 0.011 17 0 "[ . 1 . 2]" 1 97 ALA 0.014 0.004 16 0 "[ . 1 . 2]" 1 99 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 100 SER 0.051 0.047 7 0 "[ . 1 . 2]" 1 101 GLY 0.051 0.047 7 0 "[ . 1 . 2]" 1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 105 TYR 0.031 0.018 18 0 "[ . 1 . 2]" 1 106 THR 0.145 0.024 2 0 "[ . 1 . 2]" 1 107 ILE 0.064 0.021 19 0 "[ . 1 . 2]" 1 108 ALA 0.009 0.003 16 0 "[ . 1 . 2]" 1 109 ALA 0.469 0.030 19 0 "[ . 1 . 2]" 1 110 MET 1.282 0.049 19 0 "[ . 1 . 2]" 1 111 LEU 2.124 0.058 17 0 "[ . 1 . 2]" 1 112 SER 1.507 0.059 16 0 "[ . 1 . 2]" 1 113 PRO 0.205 0.028 13 0 "[ . 1 . 2]" 1 114 TYR 0.624 0.046 16 0 "[ . 1 . 2]" 1 115 SER 0.031 0.030 19 0 "[ . 1 . 2]" 1 116 TYR 0.079 0.078 19 0 "[ . 1 . 2]" 1 118 THR 0.337 0.080 19 0 "[ . 1 . 2]" 1 119 MET 0.185 0.080 19 0 "[ . 1 . 2]" 1 120 ALA 0.013 0.010 19 0 "[ . 1 . 2]" 1 121 VAL 0.063 0.016 17 0 "[ . 1 . 2]" 1 122 VAL 0.058 0.016 17 0 "[ . 1 . 2]" 1 123 THR 0.005 0.005 12 0 "[ . 1 . 2]" 1 124 ASN 0.189 0.042 16 0 "[ . 1 . 2]" 1 125 PRO 0.189 0.042 16 0 "[ . 1 . 2]" 1 126 LYS 0.196 0.038 14 0 "[ . 1 . 2]" 1 127 GLU 0.071 0.019 20 0 "[ . 1 . 2]" 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 1 118 THR HA 1 118 THR MG . . 3.740 2.143 2.021 2.208 . 0 0 "[ . 1 . 2]" 1 2 1 21 ARG H 1 21 ARG HB3 . . 3.730 3.688 3.627 3.720 . 0 0 "[ . 1 . 2]" 1 3 1 43 PRO HB3 1 44 PHE H . . 4.230 4.128 4.113 4.142 . 0 0 "[ . 1 . 2]" 1 4 1 125 PRO HB3 1 127 GLU H . . 4.910 4.540 4.237 4.789 . 0 0 "[ . 1 . 2]" 1 5 1 124 ASN HA 1 125 PRO HD3 . . 3.530 2.334 2.299 2.352 . 0 0 "[ . 1 . 2]" 1 6 1 101 GLY HA2 1 102 PRO QD . . 3.420 2.334 2.182 2.538 . 0 0 "[ . 1 . 2]" 1 7 1 3 THR HA 1 3 THR MG . . 2.750 2.356 2.159 2.484 . 0 0 "[ . 1 . 2]" 1 8 1 5 THR HA 1 5 THR MG . . 3.090 2.856 2.142 3.205 0.115 16 0 "[ . 1 . 2]" 1 9 1 5 THR HB 1 6 GLY H . . 4.550 3.651 2.040 4.651 0.101 13 0 "[ . 1 . 2]" 1 10 1 75 THR MG 1 111 LEU MD1 . . 2.930 2.430 2.217 2.623 . 0 0 "[ . 1 . 2]" 1 11 1 75 THR MG 1 111 LEU MD2 . . 3.320 1.900 1.869 1.960 . 0 0 "[ . 1 . 2]" 1 12 1 60 THR MG 1 61 GLU H . . 3.780 3.517 3.499 3.545 . 0 0 "[ . 1 . 2]" 1 13 1 108 ALA H 1 108 ALA MB . . 3.110 2.279 2.162 2.409 . 0 0 "[ . 1 . 2]" 1 14 1 60 THR H 1 60 THR MG . . 3.470 2.837 2.718 2.917 . 0 0 "[ . 1 . 2]" 1 15 1 118 THR MG 1 119 MET H . . 3.720 2.764 2.139 3.800 0.080 19 0 "[ . 1 . 2]" 1 16 1 47 GLY HA3 1 48 LYS HG3 . . 5.490 4.626 4.511 4.705 . 0 0 "[ . 1 . 2]" 1 17 1 7 GLU HA 1 7 GLU HB2 . . 3.000 2.491 2.361 2.917 . 0 0 "[ . 1 . 2]" 1 18 1 7 GLU HA 1 7 GLU HB3 . . 3.000 2.566 2.435 2.900 . 0 0 "[ . 1 . 2]" 1 19 1 20 VAL MG1 1 21 ARG HA . . 3.600 3.487 3.364 3.541 . 0 0 "[ . 1 . 2]" 1 20 1 7 GLU HA 1 7 GLU QG . . 3.450 3.128 2.193 3.442 . 0 0 "[ . 1 . 2]" 1 21 1 7 GLU HB2 1 7 GLU QG . . 2.490 2.306 2.141 2.457 . 0 0 "[ . 1 . 2]" 1 22 1 8 SER HA 1 8 SER QB . . 2.580 2.349 2.170 2.504 . 0 0 "[ . 1 . 2]" 1 23 1 34 ARG HD3 1 44 PHE QR . . 4.510 3.301 2.497 4.283 . 0 0 "[ . 1 . 2]" 1 24 1 17 LEU H 1 110 MET HA . . 4.010 3.171 3.086 3.287 . 0 0 "[ . 1 . 2]" 1 25 1 12 LEU H 1 12 LEU MD2 . . 4.630 4.204 1.905 4.610 . 0 0 "[ . 1 . 2]" 1 26 1 12 LEU H 1 12 LEU MD1 . . 4.630 4.337 3.150 4.634 0.004 8 0 "[ . 1 . 2]" 1 27 1 46 SER HA 1 58 LEU MD1 . . 4.230 3.761 3.326 4.036 . 0 0 "[ . 1 . 2]" 1 28 1 36 ALA H 1 42 GLU QG . . 4.310 4.236 4.061 4.321 0.011 12 0 "[ . 1 . 2]" 1 29 1 42 GLU HA 1 42 GLU QG . . 3.230 2.146 2.122 2.166 . 0 0 "[ . 1 . 2]" 1 30 1 51 GLU QG 1 53 GLY H . . 4.840 4.442 4.406 4.472 . 0 0 "[ . 1 . 2]" 1 31 1 93 VAL HA 1 94 VAL HB . . 4.780 4.609 4.589 4.639 . 0 0 "[ . 1 . 2]" 1 32 1 92 GLU HB3 1 93 VAL HA . . 5.170 4.701 4.641 4.774 . 0 0 "[ . 1 . 2]" 1 33 1 93 VAL HA 1 93 VAL MG1 . . 3.200 2.311 2.245 2.397 . 0 0 "[ . 1 . 2]" 1 34 1 93 VAL HA 1 93 VAL MG2 . . 3.350 2.338 2.289 2.377 . 0 0 "[ . 1 . 2]" 1 35 1 106 THR H 1 122 VAL HB . . 4.700 4.200 3.214 4.709 0.009 17 0 "[ . 1 . 2]" 1 36 1 16 VAL H 1 16 VAL MG2 . . 3.190 2.514 2.375 2.677 . 0 0 "[ . 1 . 2]" 1 37 1 32 VAL H 1 71 VAL MG1 . . 5.410 4.981 4.776 5.050 . 0 0 "[ . 1 . 2]" 1 38 1 16 VAL H 1 16 VAL MG1 . . 4.050 3.827 3.813 3.839 . 0 0 "[ . 1 . 2]" 1 39 1 16 VAL MG1 1 17 LEU H . . 3.410 3.026 3.009 3.057 . 0 0 "[ . 1 . 2]" 1 40 1 16 VAL MG1 1 28 VAL H . . 5.290 5.222 5.129 5.299 0.009 16 0 "[ . 1 . 2]" 1 41 1 16 VAL MG1 1 25 ALA H . . 4.490 3.403 3.324 3.518 . 0 0 "[ . 1 . 2]" 1 42 1 16 VAL MG1 1 111 LEU MD2 . . 2.980 2.389 2.247 2.458 . 0 0 "[ . 1 . 2]" 1 43 1 17 LEU HB3 1 110 MET HA . . 4.750 3.462 3.429 3.511 . 0 0 "[ . 1 . 2]" 1 44 1 17 LEU HB3 1 24 PRO HA . . 4.690 4.245 4.188 4.285 . 0 0 "[ . 1 . 2]" 1 45 1 17 LEU HB2 1 110 MET HA . . 4.470 3.535 3.467 3.575 . 0 0 "[ . 1 . 2]" 1 46 1 16 VAL HA 1 17 LEU HB2 . . 4.420 4.316 4.307 4.336 . 0 0 "[ . 1 . 2]" 1 47 1 15 LYS QG 1 17 LEU HB2 . . 4.510 3.669 3.483 3.824 . 0 0 "[ . 1 . 2]" 1 48 1 17 LEU H 1 17 LEU HG . . 4.540 4.169 4.010 4.269 . 0 0 "[ . 1 . 2]" 1 49 1 18 ASP HA 1 111 LEU H . . 3.910 2.294 2.176 2.401 . 0 0 "[ . 1 . 2]" 1 50 1 18 ASP HB3 1 21 ARG HB2 . . 4.550 2.224 2.126 2.337 . 0 0 "[ . 1 . 2]" 1 51 1 18 ASP HB3 1 25 ALA MB . . 4.990 4.990 4.939 5.007 0.017 20 0 "[ . 1 . 2]" 1 52 1 81 ALA HA 1 83 GLY H . . 4.760 4.600 4.596 4.607 . 0 0 "[ . 1 . 2]" 1 53 1 19 ALA H 1 19 ALA MB . . 3.000 2.136 2.087 2.275 . 0 0 "[ . 1 . 2]" 1 54 1 35 LYS QD 1 36 ALA MB . . 3.930 3.730 3.701 3.778 . 0 0 "[ . 1 . 2]" 1 55 1 29 ALA MB 1 48 LYS HA . . 4.640 4.663 4.643 4.677 0.037 12 0 "[ . 1 . 2]" 1 56 1 29 ALA MB 1 74 ASP HA . . 5.120 4.519 4.440 4.634 . 0 0 "[ . 1 . 2]" 1 57 1 19 ALA MB 1 110 MET HA . . 4.410 4.100 4.038 4.184 . 0 0 "[ . 1 . 2]" 1 58 1 29 ALA MB 1 73 ILE HA . . 5.320 4.848 4.696 4.935 . 0 0 "[ . 1 . 2]" 1 59 1 36 ALA MB 1 37 ALA HA . . 4.200 4.167 4.162 4.179 . 0 0 "[ . 1 . 2]" 1 60 1 28 VAL HA 1 29 ALA MB . . 4.100 3.989 3.962 4.026 . 0 0 "[ . 1 . 2]" 1 61 1 35 LYS HA 1 36 ALA MB . . 4.070 3.980 3.953 4.029 . 0 0 "[ . 1 . 2]" 1 62 1 29 ALA MB 1 48 LYS QE . . 3.270 2.735 2.637 2.884 . 0 0 "[ . 1 . 2]" 1 63 1 36 ALA H 1 36 ALA MB . . 2.830 2.226 2.204 2.251 . 0 0 "[ . 1 . 2]" 1 64 1 29 ALA H 1 29 ALA MB . . 3.050 2.158 2.090 2.234 . 0 0 "[ . 1 . 2]" 1 65 1 36 ALA MB 1 37 ALA H . . 2.930 2.141 1.989 2.218 . 0 0 "[ . 1 . 2]" 1 66 1 29 ALA MB 1 30 VAL H . . 3.710 3.386 3.374 3.397 . 0 0 "[ . 1 . 2]" 1 67 1 36 ALA MB 1 38 ASP H . . 3.190 2.186 2.105 2.343 . 0 0 "[ . 1 . 2]" 1 68 1 20 VAL HA 1 20 VAL MG1 . . 2.800 2.409 2.365 2.436 . 0 0 "[ . 1 . 2]" 1 69 1 19 ALA MB 1 20 VAL HA . . 4.250 3.897 3.840 3.948 . 0 0 "[ . 1 . 2]" 1 70 1 20 VAL HB 1 79 TRP HH2 . . 4.720 3.090 2.948 3.289 . 0 0 "[ . 1 . 2]" 1 71 1 69 TYR H 1 94 VAL MG1 . . 3.430 3.319 3.190 3.436 0.006 17 0 "[ . 1 . 2]" 1 72 1 41 TRP HH2 1 94 VAL MG1 . . 3.350 2.077 1.925 2.221 . 0 0 "[ . 1 . 2]" 1 73 1 93 VAL MG1 1 95 PHE QD . . 4.070 3.408 3.354 3.430 . 0 0 "[ . 1 . 2]" 1 74 1 71 VAL MG2 1 95 PHE QE . . 3.720 2.575 2.441 2.796 . 0 0 "[ . 1 . 2]" 1 75 1 93 VAL MG1 1 95 PHE QE . . 4.090 2.717 2.675 2.764 . 0 0 "[ . 1 . 2]" 1 76 1 65 VAL H 1 65 VAL MG1 . . 3.020 2.701 2.343 2.939 . 0 0 "[ . 1 . 2]" 1 77 1 18 ASP H 1 21 ARG QD . . 5.500 5.321 5.100 5.515 0.015 2 0 "[ . 1 . 2]" 1 78 1 20 VAL H 1 21 ARG QD . . 5.500 5.319 5.153 5.511 0.011 18 0 "[ . 1 . 2]" 1 79 1 21 ARG H 1 21 ARG QD . . 4.120 3.894 3.847 3.956 . 0 0 "[ . 1 . 2]" 1 80 1 23 SER HA 1 24 PRO HD3 . . 2.950 2.344 2.334 2.348 . 0 0 "[ . 1 . 2]" 1 81 1 23 SER HA 1 24 PRO HD2 . . 2.840 2.506 2.488 2.514 . 0 0 "[ . 1 . 2]" 1 82 1 23 SER HA 1 24 PRO HB3 . . 4.970 4.867 4.862 4.868 . 0 0 "[ . 1 . 2]" 1 83 1 31 HIS HA 1 32 VAL MG2 . . 3.790 3.380 3.360 3.398 . 0 0 "[ . 1 . 2]" 1 84 1 17 LEU MD1 1 23 SER HA . . 4.900 4.810 4.751 4.876 . 0 0 "[ . 1 . 2]" 1 85 1 23 SER H 1 23 SER HB2 . . 4.060 2.681 2.558 3.775 . 0 0 "[ . 1 . 2]" 1 86 1 24 PRO HA 1 25 ALA H . . 3.340 2.168 2.154 2.177 . 0 0 "[ . 1 . 2]" 1 87 1 18 ASP HB2 1 24 PRO HA . . 4.750 4.790 4.769 4.803 0.053 3 0 "[ . 1 . 2]" 1 88 1 17 LEU MD1 1 24 PRO HA . . 3.730 3.448 3.233 3.757 0.027 5 0 "[ . 1 . 2]" 1 89 1 17 LEU MD2 1 24 PRO HA . . 3.730 3.497 3.093 3.748 0.018 9 0 "[ . 1 . 2]" 1 90 1 124 ASN HB2 1 125 PRO HD2 . . 4.640 2.565 1.979 3.597 . 0 0 "[ . 1 . 2]" 1 91 1 124 ASN HB2 1 125 PRO HD3 . . 4.640 3.888 3.432 4.682 0.042 16 0 "[ . 1 . 2]" 1 92 1 36 ALA HA 1 38 ASP H . . 4.200 4.134 4.119 4.150 . 0 0 "[ . 1 . 2]" 1 93 1 36 ALA HA 1 37 ALA HA . . 4.450 4.335 4.332 4.340 . 0 0 "[ . 1 . 2]" 1 94 1 25 ALA HA 1 26 ILE HA . . 4.900 4.384 4.383 4.385 . 0 0 "[ . 1 . 2]" 1 95 1 36 ALA HA 1 42 GLU QG . . 4.390 4.188 3.680 4.418 0.028 17 0 "[ . 1 . 2]" 1 96 1 25 ALA HA 1 26 ILE HB . . 4.460 4.476 4.471 4.484 0.024 20 0 "[ . 1 . 2]" 1 97 1 17 LEU HA 1 25 ALA MB . . 4.370 3.970 3.920 4.003 . 0 0 "[ . 1 . 2]" 1 98 1 25 ALA MB 1 26 ILE HA . . 4.660 4.143 4.130 4.152 . 0 0 "[ . 1 . 2]" 1 99 1 17 LEU H 1 25 ALA MB . . 5.110 5.022 4.973 5.061 . 0 0 "[ . 1 . 2]" 1 100 1 25 ALA MB 1 78 TYR HB2 . . 4.430 2.871 2.571 3.101 . 0 0 "[ . 1 . 2]" 1 101 1 16 VAL HB 1 25 ALA MB . . 3.760 3.141 3.079 3.234 . 0 0 "[ . 1 . 2]" 1 102 1 26 ILE HA 1 26 ILE HG13 . . 3.930 2.930 2.926 2.935 . 0 0 "[ . 1 . 2]" 1 103 1 26 ILE HA 1 26 ILE MD . . 3.790 3.769 3.767 3.771 . 0 0 "[ . 1 . 2]" 1 104 1 26 ILE HA 1 28 VAL MG2 . . 4.620 3.531 3.418 3.594 . 0 0 "[ . 1 . 2]" 1 105 1 26 ILE HB 1 51 GLU QB . . 5.500 5.456 5.437 5.481 . 0 0 "[ . 1 . 2]" 1 106 1 26 ILE HB 1 51 GLU HA . . 4.740 4.667 4.651 4.677 . 0 0 "[ . 1 . 2]" 1 107 1 65 VAL H 1 65 VAL MG2 . . 2.840 2.016 1.923 2.172 . 0 0 "[ . 1 . 2]" 1 108 1 26 ILE HA 1 26 ILE MG . . 3.030 2.476 2.473 2.480 . 0 0 "[ . 1 . 2]" 1 109 1 64 PHE HA 1 65 VAL MG2 . . 4.020 3.729 3.598 3.893 . 0 0 "[ . 1 . 2]" 1 110 1 26 ILE MG 1 28 VAL H . . 4.480 4.502 4.496 4.511 0.031 13 0 "[ . 1 . 2]" 1 111 1 26 ILE H 1 26 ILE MG . . 3.850 3.747 3.745 3.749 . 0 0 "[ . 1 . 2]" 1 112 1 26 ILE MG 1 27 ASN H . . 3.400 2.219 2.212 2.236 . 0 0 "[ . 1 . 2]" 1 113 1 65 VAL MG2 1 66 GLU H . . 3.450 3.166 3.021 3.343 . 0 0 "[ . 1 . 2]" 1 114 1 26 ILE MG 1 27 ASN HB2 . . 3.180 2.542 2.539 2.544 . 0 0 "[ . 1 . 2]" 1 115 1 34 ARG HD3 1 65 VAL MG2 . . 4.340 3.707 2.720 4.334 . 0 0 "[ . 1 . 2]" 1 116 1 34 ARG HD2 1 65 VAL MG2 . . 4.340 2.835 2.045 3.484 . 0 0 "[ . 1 . 2]" 1 117 1 27 ASN H 1 27 ASN HB3 . . 4.150 4.089 4.087 4.091 . 0 0 "[ . 1 . 2]" 1 118 1 27 ASN HB3 1 48 LYS QE . . 4.690 4.594 4.472 4.674 . 0 0 "[ . 1 . 2]" 1 119 1 27 ASN HB3 1 48 LYS HD3 . . 3.540 3.030 2.929 3.069 . 0 0 "[ . 1 . 2]" 1 120 1 27 ASN HB3 1 48 LYS HG2 . . 4.790 4.774 4.661 4.827 0.037 19 0 "[ . 1 . 2]" 1 121 1 26 ILE MG 1 27 ASN HB3 . . 3.840 3.882 3.880 3.884 0.044 13 0 "[ . 1 . 2]" 1 122 1 27 ASN HB2 1 28 VAL H . . 4.430 4.386 4.378 4.394 . 0 0 "[ . 1 . 2]" 1 123 1 27 ASN H 1 27 ASN HB2 . . 3.870 3.380 3.378 3.382 . 0 0 "[ . 1 . 2]" 1 124 1 26 ILE HA 1 27 ASN HB2 . . 4.720 4.573 4.570 4.576 . 0 0 "[ . 1 . 2]" 1 125 1 9 LYS H 1 9 LYS HB3 . . 3.750 3.409 2.457 3.767 0.017 2 0 "[ . 1 . 2]" 1 126 1 25 ALA HA 1 28 VAL MG2 . . 4.320 3.795 3.767 3.817 . 0 0 "[ . 1 . 2]" 1 127 1 27 ASN HA 1 28 VAL MG2 . . 4.740 4.465 4.390 4.581 . 0 0 "[ . 1 . 2]" 1 128 1 28 VAL MG2 1 49 THR HB . . 3.970 3.842 3.705 3.984 0.014 13 0 "[ . 1 . 2]" 1 129 1 28 VAL HA 1 28 VAL MG2 . . 3.320 2.345 2.227 2.432 . 0 0 "[ . 1 . 2]" 1 130 1 28 VAL MG2 1 78 TYR HB3 . . 4.920 3.775 3.476 3.901 . 0 0 "[ . 1 . 2]" 1 131 1 28 VAL MG2 1 78 TYR HB2 . . 4.230 2.607 2.299 2.742 . 0 0 "[ . 1 . 2]" 1 132 1 16 VAL HB 1 28 VAL MG2 . . 4.140 2.749 2.347 3.146 . 0 0 "[ . 1 . 2]" 1 133 1 28 VAL MG2 1 49 THR MG . . 3.560 2.869 2.659 3.146 . 0 0 "[ . 1 . 2]" 1 134 1 28 VAL MG2 1 29 ALA H . . 4.260 4.194 4.133 4.234 . 0 0 "[ . 1 . 2]" 1 135 1 25 ALA H 1 28 VAL MG2 . . 4.930 3.686 3.552 3.794 . 0 0 "[ . 1 . 2]" 1 136 1 26 ILE H 1 28 VAL MG2 . . 5.220 3.455 3.422 3.494 . 0 0 "[ . 1 . 2]" 1 137 1 27 ASN H 1 28 VAL MG2 . . 4.290 3.878 3.737 3.978 . 0 0 "[ . 1 . 2]" 1 138 1 28 VAL MG2 1 78 TYR H . . 4.500 4.520 4.511 4.529 0.029 1 0 "[ . 1 . 2]" 1 139 1 28 VAL MG2 1 78 TYR QR . . 4.610 3.455 3.301 3.593 . 0 0 "[ . 1 . 2]" 1 140 1 30 VAL HA 1 30 VAL MG1 . . 3.070 2.296 2.262 2.335 . 0 0 "[ . 1 . 2]" 1 141 1 111 LEU H 1 111 LEU MD1 . . 3.650 2.904 2.757 2.985 . 0 0 "[ . 1 . 2]" 1 142 1 28 VAL MG1 1 74 ASP HB3 . . 5.500 4.555 3.882 5.171 . 0 0 "[ . 1 . 2]" 1 143 1 109 ALA MB 1 111 LEU MD1 . . 3.590 3.311 3.199 3.396 . 0 0 "[ . 1 . 2]" 1 144 1 16 VAL MG2 1 49 THR MG . . 2.630 2.002 1.908 2.241 . 0 0 "[ . 1 . 2]" 1 145 1 29 ALA HA 1 48 LYS HA . . 3.670 3.167 3.141 3.189 . 0 0 "[ . 1 . 2]" 1 146 1 45 ALA HA 1 46 SER HA . . 4.740 4.616 4.606 4.622 . 0 0 "[ . 1 . 2]" 1 147 1 28 VAL HA 1 29 ALA HA . . 4.490 4.473 4.469 4.476 . 0 0 "[ . 1 . 2]" 1 148 1 29 ALA HA 1 49 THR MG . . 5.500 5.483 5.359 5.526 0.026 8 0 "[ . 1 . 2]" 1 149 1 32 VAL MG2 1 45 ALA HA . . 5.060 4.856 4.807 4.898 . 0 0 "[ . 1 . 2]" 1 150 1 44 PHE QR 1 45 ALA HA . . 4.970 4.540 4.225 4.668 . 0 0 "[ . 1 . 2]" 1 151 1 71 VAL H 1 94 VAL HA . . 4.260 3.489 3.379 3.617 . 0 0 "[ . 1 . 2]" 1 152 1 69 TYR H 1 94 VAL HA . . 4.830 4.622 4.519 4.782 . 0 0 "[ . 1 . 2]" 1 153 1 94 VAL HA 1 95 PHE QD . . 4.530 3.308 3.249 3.404 . 0 0 "[ . 1 . 2]" 1 154 1 70 LYS HB3 1 94 VAL HA . . 4.970 4.894 4.788 4.975 0.005 10 0 "[ . 1 . 2]" 1 155 1 70 LYS HB2 1 94 VAL HA . . 4.770 3.698 3.570 3.794 . 0 0 "[ . 1 . 2]" 1 156 1 29 ALA H 1 30 VAL HA . . 5.500 5.546 5.536 5.555 0.055 16 0 "[ . 1 . 2]" 1 157 1 30 VAL HA 1 73 ILE HA . . 3.840 2.516 2.479 2.577 . 0 0 "[ . 1 . 2]" 1 158 1 30 VAL HB 1 32 VAL MG2 . . 4.500 4.501 4.448 4.518 0.018 4 0 "[ . 1 . 2]" 1 159 1 15 LYS HB2 1 16 VAL H . . 4.680 4.435 4.368 4.474 . 0 0 "[ . 1 . 2]" 1 160 1 30 VAL H 1 30 VAL MG2 . . 3.050 2.812 2.779 2.845 . 0 0 "[ . 1 . 2]" 1 161 1 14 VAL MG1 1 15 LYS H . . 3.010 2.898 2.726 3.008 . 0 0 "[ . 1 . 2]" 1 162 1 14 VAL H 1 14 VAL MG2 . . 3.990 2.607 2.380 2.726 . 0 0 "[ . 1 . 2]" 1 163 1 14 VAL HA 1 14 VAL MG1 . . 3.250 2.262 2.223 2.368 . 0 0 "[ . 1 . 2]" 1 164 1 14 VAL HA 1 14 VAL MG2 . . 3.470 2.386 2.335 2.434 . 0 0 "[ . 1 . 2]" 1 165 1 30 VAL HA 1 30 VAL MG2 . . 2.940 2.350 2.329 2.373 . 0 0 "[ . 1 . 2]" 1 166 1 56 HIS HA 1 56 HIS HD2 . . 4.510 4.075 2.618 4.413 . 0 0 "[ . 1 . 2]" 1 167 1 31 HIS HB2 1 72 GLU HB3 . . 4.550 4.026 3.224 4.454 . 0 0 "[ . 1 . 2]" 1 168 1 30 VAL MG1 1 31 HIS HB2 . . 4.830 4.555 4.445 4.614 . 0 0 "[ . 1 . 2]" 1 169 1 32 VAL HA 1 70 LYS H . . 4.700 4.541 4.327 4.659 . 0 0 "[ . 1 . 2]" 1 170 1 32 VAL HA 1 33 PHE QE . . 5.050 4.680 4.620 4.744 . 0 0 "[ . 1 . 2]" 1 171 1 32 VAL HA 1 44 PHE QR . . 5.500 4.966 4.735 5.149 . 0 0 "[ . 1 . 2]" 1 172 1 32 VAL HA 1 70 LYS HA . . 5.500 5.531 5.517 5.545 0.045 18 0 "[ . 1 . 2]" 1 173 1 32 VAL HA 1 71 VAL HA . . 4.090 2.438 2.264 2.488 . 0 0 "[ . 1 . 2]" 1 174 1 32 VAL HA 1 71 VAL MG2 . . 4.120 2.919 2.833 2.968 . 0 0 "[ . 1 . 2]" 1 175 1 32 VAL HA 1 71 VAL MG1 . . 4.200 3.647 3.459 3.726 . 0 0 "[ . 1 . 2]" 1 176 1 94 VAL MG2 1 95 PHE H . . 4.210 3.998 3.949 4.075 . 0 0 "[ . 1 . 2]" 1 177 1 44 PHE QR 1 45 ALA MB . . 3.160 2.411 2.037 2.683 . 0 0 "[ . 1 . 2]" 1 178 1 32 VAL MG1 1 44 PHE QR . . 3.210 2.216 1.975 2.400 . 0 0 "[ . 1 . 2]" 1 179 1 32 VAL HA 1 32 VAL MG1 . . 3.260 2.222 2.165 2.354 . 0 0 "[ . 1 . 2]" 1 180 1 60 THR HA 1 60 THR MG . . 2.960 2.238 2.210 2.300 . 0 0 "[ . 1 . 2]" 1 181 1 45 ALA MB 1 58 LEU HA . . 3.430 3.123 2.879 3.331 . 0 0 "[ . 1 . 2]" 1 182 1 2 PRO HG2 1 3 THR MG . . 3.310 3.048 2.297 3.354 0.044 20 0 "[ . 1 . 2]" 1 183 1 32 VAL MG1 1 44 PHE HB3 . . 3.910 2.588 2.464 2.761 . 0 0 "[ . 1 . 2]" 1 184 1 33 PHE HA 1 33 PHE QE . . 5.020 4.699 4.693 4.704 . 0 0 "[ . 1 . 2]" 1 185 1 33 PHE HA 1 44 PHE QR . . 5.350 4.668 4.588 4.718 . 0 0 "[ . 1 . 2]" 1 186 1 33 PHE HA 1 33 PHE QD . . 4.100 3.133 3.110 3.142 . 0 0 "[ . 1 . 2]" 1 187 1 41 TRP HZ3 1 69 TYR HA . . 4.000 2.583 2.476 2.706 . 0 0 "[ . 1 . 2]" 1 188 1 69 TYR HA 1 69 TYR QD . . 4.130 3.051 2.943 3.117 . 0 0 "[ . 1 . 2]" 1 189 1 33 PHE HA 1 44 PHE HA . . 4.580 4.458 4.354 4.509 . 0 0 "[ . 1 . 2]" 1 190 1 33 PHE HA 1 42 GLU HB3 . . 5.500 5.516 5.413 5.539 0.039 17 0 "[ . 1 . 2]" 1 191 1 32 VAL MG1 1 69 TYR HA . . 4.970 4.445 4.342 4.604 . 0 0 "[ . 1 . 2]" 1 192 1 34 ARG QG 1 69 TYR HA . . 5.420 4.438 3.666 5.239 . 0 0 "[ . 1 . 2]" 1 193 1 34 ARG HB3 1 69 TYR HA . . 5.490 4.834 4.311 5.255 . 0 0 "[ . 1 . 2]" 1 194 1 69 TYR HA 1 94 VAL MG1 . . 5.500 4.566 4.450 4.698 . 0 0 "[ . 1 . 2]" 1 195 1 68 ILE MG 1 69 TYR HA . . 4.070 3.572 3.531 3.667 . 0 0 "[ . 1 . 2]" 1 196 1 69 TYR HA 1 70 LYS HB3 . . 4.660 4.654 4.442 4.713 0.053 18 0 "[ . 1 . 2]" 1 197 1 32 VAL MG1 1 33 PHE HA . . 4.490 3.886 3.740 3.973 . 0 0 "[ . 1 . 2]" 1 198 1 33 PHE HB2 1 70 LYS HB3 . . 4.500 2.468 2.345 2.576 . 0 0 "[ . 1 . 2]" 1 199 1 33 PHE HB2 1 41 TRP HE3 . . 4.310 3.517 3.447 3.556 . 0 0 "[ . 1 . 2]" 1 200 1 33 PHE HB3 1 41 TRP HB2 . . 4.310 3.533 3.464 3.659 . 0 0 "[ . 1 . 2]" 1 201 1 33 PHE HB3 1 41 TRP HB3 . . 4.410 2.134 2.030 2.246 . 0 0 "[ . 1 . 2]" 1 202 1 18 ASP HB3 1 21 ARG QD . . 4.540 3.324 3.132 3.522 . 0 0 "[ . 1 . 2]" 1 203 1 34 ARG HD2 1 44 PHE QR . . 4.510 3.663 2.818 4.556 0.046 9 0 "[ . 1 . 2]" 1 204 1 48 LYS H 1 48 LYS QE . . 4.840 4.833 4.748 4.849 0.009 14 0 "[ . 1 . 2]" 1 205 1 35 LYS HA 1 41 TRP HZ3 . . 4.760 3.617 3.308 3.844 . 0 0 "[ . 1 . 2]" 1 206 1 35 LYS HA 1 35 LYS QD . . 3.480 2.091 2.010 2.138 . 0 0 "[ . 1 . 2]" 1 207 1 35 LYS HA 1 35 LYS QG . . 3.800 3.125 3.108 3.141 . 0 0 "[ . 1 . 2]" 1 208 1 35 LYS HA 1 41 TRP HA . . 3.870 2.746 2.690 2.777 . 0 0 "[ . 1 . 2]" 1 209 1 35 LYS HA 1 36 ALA HA . . 4.560 4.402 4.391 4.421 . 0 0 "[ . 1 . 2]" 1 210 1 35 LYS HB3 1 41 TRP HZ3 . . 4.480 3.522 3.383 3.558 . 0 0 "[ . 1 . 2]" 1 211 1 34 ARG HA 1 35 LYS HB3 . . 4.720 4.540 4.524 4.555 . 0 0 "[ . 1 . 2]" 1 212 1 35 LYS HB3 1 35 LYS QE . . 4.360 3.529 3.510 3.555 . 0 0 "[ . 1 . 2]" 1 213 1 35 LYS HB3 1 68 ILE HB . . 3.840 2.305 2.055 2.495 . 0 0 "[ . 1 . 2]" 1 214 1 35 LYS HB3 1 35 LYS QD . . 3.430 3.441 3.412 3.460 0.030 14 0 "[ . 1 . 2]" 1 215 1 35 LYS HB2 1 41 TRP HZ3 . . 4.770 2.532 2.443 2.585 . 0 0 "[ . 1 . 2]" 1 216 1 35 LYS HB2 1 36 ALA H . . 4.590 4.248 4.209 4.320 . 0 0 "[ . 1 . 2]" 1 217 1 35 LYS QD 1 41 TRP H . . 5.300 5.036 4.829 5.143 . 0 0 "[ . 1 . 2]" 1 218 1 35 LYS QD 1 41 TRP HZ2 . . 5.110 5.079 4.956 5.152 0.042 10 0 "[ . 1 . 2]" 1 219 1 35 LYS QD 1 41 TRP HH2 . . 5.050 5.002 4.862 5.135 0.085 11 0 "[ . 1 . 2]" 1 220 1 35 LYS QD 1 41 TRP HZ3 . . 4.960 4.789 4.601 4.889 . 0 0 "[ . 1 . 2]" 1 221 1 35 LYS QD 1 36 ALA HA . . 4.490 4.367 4.317 4.414 . 0 0 "[ . 1 . 2]" 1 222 1 35 LYS QD 1 39 ASP QB . . 4.150 3.905 3.881 3.922 . 0 0 "[ . 1 . 2]" 1 223 1 35 LYS HB2 1 35 LYS QD . . 3.130 2.828 2.782 2.860 . 0 0 "[ . 1 . 2]" 1 224 1 35 LYS QE 1 41 TRP HZ2 . . 3.780 3.058 2.997 3.171 . 0 0 "[ . 1 . 2]" 1 225 1 35 LYS QE 1 41 TRP HD1 . . 5.420 5.065 4.909 5.313 . 0 0 "[ . 1 . 2]" 1 226 1 35 LYS QE 1 41 TRP HH2 . . 4.150 3.040 2.880 3.221 . 0 0 "[ . 1 . 2]" 1 227 1 35 LYS QE 1 39 ASP HA . . 3.610 2.948 2.939 2.958 . 0 0 "[ . 1 . 2]" 1 228 1 35 LYS HA 1 35 LYS QE . . 4.210 3.018 2.850 3.237 . 0 0 "[ . 1 . 2]" 1 229 1 35 LYS QE 1 39 ASP QB . . 3.850 3.883 3.846 3.956 0.106 10 0 "[ . 1 . 2]" 1 230 1 35 LYS HB2 1 35 LYS QE . . 3.400 2.056 1.990 2.157 . 0 0 "[ . 1 . 2]" 1 231 1 35 LYS QE 1 68 ILE MD . . 3.740 3.719 3.630 3.745 0.005 13 0 "[ . 1 . 2]" 1 232 1 80 LYS H 1 81 ALA HA . . 5.010 4.972 4.965 4.977 . 0 0 "[ . 1 . 2]" 1 233 1 37 ALA HA 1 38 ASP H . . 3.350 3.328 3.297 3.351 0.001 1 0 "[ . 1 . 2]" 1 234 1 37 ALA MB 1 39 ASP H . . 4.600 4.410 4.394 4.449 . 0 0 "[ . 1 . 2]" 1 235 1 37 ALA MB 1 38 ASP H . . 3.330 3.208 3.145 3.285 . 0 0 "[ . 1 . 2]" 1 236 1 38 ASP HB2 1 39 ASP H . . 4.550 4.430 4.288 4.486 . 0 0 "[ . 1 . 2]" 1 237 1 38 ASP HB3 1 40 THR MG . . 4.340 2.058 1.972 2.186 . 0 0 "[ . 1 . 2]" 1 238 1 37 ALA HA 1 38 ASP HA . . 4.740 4.574 4.562 4.584 . 0 0 "[ . 1 . 2]" 1 239 1 38 ASP HA 1 39 ASP QB . . 4.040 4.060 4.034 4.107 0.067 6 0 "[ . 1 . 2]" 1 240 1 37 ALA MB 1 38 ASP HA . . 4.240 4.029 3.973 4.073 . 0 0 "[ . 1 . 2]" 1 241 1 38 ASP HA 1 40 THR MG . . 4.410 4.263 4.147 4.312 . 0 0 "[ . 1 . 2]" 1 242 1 38 ASP H 1 39 ASP HA . . 4.790 4.676 4.636 4.712 . 0 0 "[ . 1 . 2]" 1 243 1 36 ALA H 1 39 ASP HA . . 5.000 4.783 4.645 5.003 0.003 17 0 "[ . 1 . 2]" 1 244 1 38 ASP HA 1 39 ASP HA . . 5.110 4.913 4.895 4.941 . 0 0 "[ . 1 . 2]" 1 245 1 36 ALA MB 1 39 ASP HA . . 4.900 4.872 4.834 4.919 0.019 11 0 "[ . 1 . 2]" 1 246 1 35 LYS QD 1 39 ASP HA . . 3.210 1.991 1.944 2.016 . 0 0 "[ . 1 . 2]" 1 247 1 35 LYS QG 1 39 ASP HA . . 3.960 3.868 3.790 3.909 . 0 0 "[ . 1 . 2]" 1 248 1 39 ASP QB 1 40 THR HA . . 4.280 4.262 4.241 4.296 0.016 8 0 "[ . 1 . 2]" 1 249 1 38 ASP H 1 39 ASP QB . . 5.270 5.170 5.144 5.191 . 0 0 "[ . 1 . 2]" 1 250 1 39 ASP QB 1 40 THR H . . 3.840 3.764 3.723 3.819 . 0 0 "[ . 1 . 2]" 1 251 1 85 SER H 1 85 SER HA . . 2.930 2.764 2.763 2.766 . 0 0 "[ . 1 . 2]" 1 252 1 40 THR HA 1 40 THR MG . . 2.860 2.345 2.292 2.398 . 0 0 "[ . 1 . 2]" 1 253 1 76 LYS QB 1 77 SER HA . . 4.630 4.377 4.246 4.608 . 0 0 "[ . 1 . 2]" 1 254 1 77 SER HA 1 80 LYS HB3 . . 3.710 3.540 2.948 3.655 . 0 0 "[ . 1 . 2]" 1 255 1 40 THR H 1 40 THR HB . . 4.010 3.772 3.745 3.815 . 0 0 "[ . 1 . 2]" 1 256 1 40 THR HB 1 41 TRP H . . 3.200 2.081 1.950 2.294 . 0 0 "[ . 1 . 2]" 1 257 1 40 THR HB 1 41 TRP HB2 . . 4.840 4.655 4.502 4.785 . 0 0 "[ . 1 . 2]" 1 258 1 36 ALA MB 1 40 THR HB . . 4.160 4.030 3.919 4.175 0.015 15 0 "[ . 1 . 2]" 1 259 1 38 ASP HB2 1 40 THR MG . . 4.340 3.618 3.218 3.806 . 0 0 "[ . 1 . 2]" 1 260 1 96 THR HA 1 96 THR MG . . 3.520 2.271 2.194 2.344 . 0 0 "[ . 1 . 2]" 1 261 1 40 THR HA 1 41 TRP HB2 . . 4.720 4.717 4.680 4.734 0.014 10 0 "[ . 1 . 2]" 1 262 1 42 GLU H 1 42 GLU HB3 . . 3.640 3.537 3.506 3.549 . 0 0 "[ . 1 . 2]" 1 263 1 51 GLU H 1 51 GLU QG . . 3.070 2.037 2.020 2.078 . 0 0 "[ . 1 . 2]" 1 264 1 62 GLU H 1 62 GLU HG3 . . 3.450 2.650 2.602 2.689 . 0 0 "[ . 1 . 2]" 1 265 1 51 GLU QG 1 52 SER H . . 3.600 2.390 2.354 2.432 . 0 0 "[ . 1 . 2]" 1 266 1 33 PHE QD 1 42 GLU QG . . 5.110 5.020 4.991 5.087 . 0 0 "[ . 1 . 2]" 1 267 1 60 THR HB 1 62 GLU HG3 . . 4.240 3.499 3.396 3.528 . 0 0 "[ . 1 . 2]" 1 268 1 42 GLU QG 1 43 PRO HD3 . . 3.520 3.481 3.438 3.542 0.022 17 0 "[ . 1 . 2]" 1 269 1 51 GLU HA 1 51 GLU QG . . 3.360 3.316 3.314 3.318 . 0 0 "[ . 1 . 2]" 1 270 1 42 GLU QG 1 43 PRO HD2 . . 3.300 2.825 2.752 2.933 . 0 0 "[ . 1 . 2]" 1 271 1 51 GLU QG 1 52 SER HB2 . . 3.870 3.577 3.291 3.875 0.005 14 0 "[ . 1 . 2]" 1 272 1 51 GLU QB 1 51 GLU QG . . 2.400 2.034 2.032 2.046 . 0 0 "[ . 1 . 2]" 1 273 1 36 ALA MB 1 42 GLU QG . . 2.980 2.216 2.061 2.298 . 0 0 "[ . 1 . 2]" 1 274 1 26 ILE MD 1 51 GLU QG . . 3.500 3.574 3.564 3.599 0.099 12 0 "[ . 1 . 2]" 1 275 1 50 SER H 1 50 SER HB3 . . 4.170 3.690 3.017 3.823 . 0 0 "[ . 1 . 2]" 1 276 1 43 PRO HA 1 45 ALA H . . 4.190 4.182 4.140 4.201 0.011 12 0 "[ . 1 . 2]" 1 277 1 33 PHE QE 1 43 PRO HA . . 4.130 3.237 3.161 3.287 . 0 0 "[ . 1 . 2]" 1 278 1 33 PHE QD 1 43 PRO HA . . 3.790 2.725 2.618 2.753 . 0 0 "[ . 1 . 2]" 1 279 1 33 PHE HA 1 43 PRO HA . . 3.920 3.060 3.025 3.116 . 0 0 "[ . 1 . 2]" 1 280 1 43 PRO HA 1 44 PHE HB2 . . 4.650 4.619 4.580 4.656 0.006 1 0 "[ . 1 . 2]" 1 281 1 43 PRO HA 1 44 PHE HB3 . . 4.890 4.654 4.616 4.703 . 0 0 "[ . 1 . 2]" 1 282 1 43 PRO HB2 1 44 PHE H . . 3.920 3.718 3.697 3.736 . 0 0 "[ . 1 . 2]" 1 283 1 33 PHE QE 1 43 PRO HB2 . . 4.760 4.697 4.650 4.724 . 0 0 "[ . 1 . 2]" 1 284 1 33 PHE QD 1 43 PRO HB2 . . 5.020 5.023 4.952 5.033 0.013 5 0 "[ . 1 . 2]" 1 285 1 33 PHE HA 1 43 PRO HB2 . . 5.500 5.515 5.494 5.569 0.069 9 0 "[ . 1 . 2]" 1 286 1 2 PRO HB2 1 3 THR MG . . 3.640 2.587 2.277 3.049 . 0 0 "[ . 1 . 2]" 1 287 1 42 GLU HA 1 43 PRO HB3 . . 4.890 4.857 4.846 4.861 . 0 0 "[ . 1 . 2]" 1 288 1 33 PHE QE 1 43 PRO HB3 . . 4.360 3.089 3.048 3.107 . 0 0 "[ . 1 . 2]" 1 289 1 33 PHE QE 1 43 PRO HG3 . . 4.700 4.588 4.564 4.639 . 0 0 "[ . 1 . 2]" 1 290 1 33 PHE QE 1 43 PRO HG2 . . 5.490 5.517 5.506 5.544 0.054 9 0 "[ . 1 . 2]" 1 291 1 33 PHE QD 1 43 PRO HG2 . . 5.450 5.416 5.375 5.433 . 0 0 "[ . 1 . 2]" 1 292 1 33 PHE QD 1 43 PRO HG3 . . 5.340 5.142 5.111 5.174 . 0 0 "[ . 1 . 2]" 1 293 1 42 GLU HA 1 43 PRO HG2 . . 4.710 4.564 4.514 4.580 . 0 0 "[ . 1 . 2]" 1 294 1 42 GLU HA 1 43 PRO HG3 . . 4.590 4.510 4.471 4.522 . 0 0 "[ . 1 . 2]" 1 295 1 107 ILE HA 1 108 ALA H . . 3.380 2.145 2.139 2.175 . 0 0 "[ . 1 . 2]" 1 296 1 44 PHE HA 1 44 PHE QR . . 3.330 2.489 2.342 2.729 . 0 0 "[ . 1 . 2]" 1 297 1 33 PHE HA 1 44 PHE HB3 . . 4.420 3.014 2.917 3.083 . 0 0 "[ . 1 . 2]" 1 298 1 33 PHE HA 1 44 PHE HB2 . . 4.420 2.976 2.818 3.073 . 0 0 "[ . 1 . 2]" 1 299 1 32 VAL MG2 1 44 PHE HB3 . . 4.640 4.401 4.274 4.490 . 0 0 "[ . 1 . 2]" 1 300 1 32 VAL MG1 1 44 PHE HB2 . . 3.810 3.685 3.501 3.784 . 0 0 "[ . 1 . 2]" 1 301 1 15 LYS HB2 1 15 LYS QG . . 2.800 2.480 2.464 2.511 . 0 0 "[ . 1 . 2]" 1 302 1 46 SER H 1 46 SER HB2 . . 3.830 3.785 3.753 3.824 . 0 0 "[ . 1 . 2]" 1 303 1 46 SER HB2 1 47 GLY H . . 3.660 3.609 3.565 3.652 . 0 0 "[ . 1 . 2]" 1 304 1 1 GLY HA2 1 2 PRO QD . . 2.740 2.310 2.187 2.539 . 0 0 "[ . 1 . 2]" 1 305 1 24 PRO HB3 1 53 GLY HA2 . . 3.850 3.781 3.685 3.854 0.004 3 0 "[ . 1 . 2]" 1 306 1 47 GLY HA2 1 48 LYS HG2 . . 5.090 4.947 4.861 4.995 . 0 0 "[ . 1 . 2]" 1 307 1 47 GLY HA2 1 48 LYS HG3 . . 4.580 3.503 3.422 3.563 . 0 0 "[ . 1 . 2]" 1 308 1 47 GLY HA2 1 55 LEU MD1 . . 4.040 3.607 3.278 3.931 . 0 0 "[ . 1 . 2]" 1 309 1 47 GLY HA3 1 55 LEU MD1 . . 3.740 2.307 1.983 2.606 . 0 0 "[ . 1 . 2]" 1 310 1 30 VAL HB 1 47 GLY HA3 . . 5.340 4.629 4.541 4.730 . 0 0 "[ . 1 . 2]" 1 311 1 47 GLY HA3 1 48 LYS QB . . 5.500 4.869 4.843 4.883 . 0 0 "[ . 1 . 2]" 1 312 1 47 GLY HA3 1 55 LEU HG . . 4.780 4.036 3.832 4.262 . 0 0 "[ . 1 . 2]" 1 313 1 47 GLY HA3 1 58 LEU HG . . 5.190 4.303 4.226 4.400 . 0 0 "[ . 1 . 2]" 1 314 1 47 GLY HA3 1 48 LYS HA . . 4.510 4.423 4.403 4.438 . 0 0 "[ . 1 . 2]" 1 315 1 28 VAL HB 1 48 LYS HA . . 4.800 4.068 4.019 4.155 . 0 0 "[ . 1 . 2]" 1 316 1 48 LYS HA 1 48 LYS HG2 . . 3.910 2.593 2.567 2.630 . 0 0 "[ . 1 . 2]" 1 317 1 48 LYS HA 1 48 LYS HG3 . . 3.880 2.991 2.978 3.045 . 0 0 "[ . 1 . 2]" 1 318 1 48 LYS HA 1 49 THR MG . . 4.030 3.438 3.352 3.593 . 0 0 "[ . 1 . 2]" 1 319 1 30 VAL MG2 1 48 LYS HA . . 4.020 3.200 3.123 3.257 . 0 0 "[ . 1 . 2]" 1 320 1 28 VAL MG1 1 48 LYS HA . . 4.620 4.434 4.345 4.583 . 0 0 "[ . 1 . 2]" 1 321 1 27 ASN HB3 1 48 LYS QB . . 4.790 3.993 3.880 4.087 . 0 0 "[ . 1 . 2]" 1 322 1 48 LYS QB 1 48 LYS QE . . 4.100 3.524 3.519 3.531 . 0 0 "[ . 1 . 2]" 1 323 1 27 ASN HB2 1 48 LYS QB . . 5.070 4.795 4.711 4.857 . 0 0 "[ . 1 . 2]" 1 324 1 13 MET QB 1 15 LYS HB2 . . 4.840 4.760 4.473 4.868 0.028 2 0 "[ . 1 . 2]" 1 325 1 13 MET ME 1 15 LYS HB2 . . 3.860 2.266 1.949 2.847 . 0 0 "[ . 1 . 2]" 1 326 1 48 LYS H 1 48 LYS HG2 . . 4.110 4.087 3.989 4.116 0.006 17 0 "[ . 1 . 2]" 1 327 1 30 VAL H 1 48 LYS HG2 . . 3.920 3.517 3.481 3.571 . 0 0 "[ . 1 . 2]" 1 328 1 48 LYS H 1 48 LYS HD2 . . 4.360 4.365 4.351 4.374 0.014 19 0 "[ . 1 . 2]" 1 329 1 48 LYS HA 1 48 LYS HD2 . . 4.750 4.632 4.624 4.641 . 0 0 "[ . 1 . 2]" 1 330 1 48 LYS HA 1 48 LYS HD3 . . 4.650 4.437 4.412 4.466 . 0 0 "[ . 1 . 2]" 1 331 1 27 ASN HA 1 48 LYS HD2 . . 3.940 3.804 3.681 3.841 . 0 0 "[ . 1 . 2]" 1 332 1 27 ASN HA 1 48 LYS HD3 . . 4.000 2.907 2.816 3.015 . 0 0 "[ . 1 . 2]" 1 333 1 15 LYS HA 1 15 LYS QD . . 4.260 2.531 2.423 2.797 . 0 0 "[ . 1 . 2]" 1 334 1 48 LYS HA 1 48 LYS QE . . 4.990 4.657 4.642 4.677 . 0 0 "[ . 1 . 2]" 1 335 1 29 ALA HA 1 48 LYS QE . . 4.320 3.318 3.252 3.419 . 0 0 "[ . 1 . 2]" 1 336 1 27 ASN HA 1 48 LYS QE . . 5.150 4.836 4.725 4.922 . 0 0 "[ . 1 . 2]" 1 337 1 48 LYS HD3 1 48 LYS QE . . 2.400 2.318 2.264 2.362 . 0 0 "[ . 1 . 2]" 1 338 1 48 LYS QE 1 48 LYS HG2 . . 2.840 2.496 2.459 2.544 . 0 0 "[ . 1 . 2]" 1 339 1 48 LYS QE 1 48 LYS HG3 . . 2.920 2.306 2.252 2.351 . 0 0 "[ . 1 . 2]" 1 340 1 49 THR HA 1 54 GLU H . . 5.430 4.846 4.721 4.963 . 0 0 "[ . 1 . 2]" 1 341 1 49 THR HA 1 55 LEU HG . . 5.350 5.335 5.229 5.390 0.040 12 0 "[ . 1 . 2]" 1 342 1 110 MET H 1 118 THR HB . . 4.430 3.265 2.809 4.031 . 0 0 "[ . 1 . 2]" 1 343 1 16 VAL MG2 1 49 THR HB . . 4.350 4.135 4.001 4.320 . 0 0 "[ . 1 . 2]" 1 344 1 110 MET HG2 1 118 THR HB . . 4.640 4.578 4.254 4.639 . 0 0 "[ . 1 . 2]" 1 345 1 110 MET HB2 1 118 THR HB . . 4.040 2.043 1.987 2.151 . 0 0 "[ . 1 . 2]" 1 346 1 110 MET HB3 1 118 THR HB . . 4.140 3.580 2.985 3.813 . 0 0 "[ . 1 . 2]" 1 347 1 28 VAL HB 1 49 THR HB . . 4.640 3.975 3.930 4.308 . 0 0 "[ . 1 . 2]" 1 348 1 16 VAL H 1 49 THR MG . . 4.040 2.949 2.790 3.048 . 0 0 "[ . 1 . 2]" 1 349 1 27 ASN H 1 49 THR MG . . 5.050 4.907 4.813 4.947 . 0 0 "[ . 1 . 2]" 1 350 1 15 LYS HA 1 49 THR MG . . 4.370 3.994 3.828 4.081 . 0 0 "[ . 1 . 2]" 1 351 1 49 THR HA 1 49 THR MG . . 3.350 2.419 2.303 2.455 . 0 0 "[ . 1 . 2]" 1 352 1 16 VAL HB 1 49 THR MG . . 3.480 2.078 1.971 2.552 . 0 0 "[ . 1 . 2]" 1 353 1 28 VAL HB 1 49 THR MG . . 3.250 2.016 1.950 2.139 . 0 0 "[ . 1 . 2]" 1 354 1 51 GLU HA 1 53 GLY H . . 4.380 3.958 3.865 4.073 . 0 0 "[ . 1 . 2]" 1 355 1 51 GLU QB 1 52 SER H . . 3.900 3.628 3.613 3.650 . 0 0 "[ . 1 . 2]" 1 356 1 23 SER HA 1 24 PRO HG2 . . 4.650 4.599 4.583 4.605 . 0 0 "[ . 1 . 2]" 1 357 1 60 THR HA 1 61 GLU QB . . 4.500 4.255 4.189 4.476 . 0 0 "[ . 1 . 2]" 1 358 1 60 THR HB 1 61 GLU QB . . 4.110 3.922 3.837 3.999 . 0 0 "[ . 1 . 2]" 1 359 1 26 ILE MG 1 51 GLU QB . . 4.280 4.200 4.173 4.231 . 0 0 "[ . 1 . 2]" 1 360 1 51 GLU QG 1 52 SER HA . . 4.380 4.172 4.063 4.214 . 0 0 "[ . 1 . 2]" 1 361 1 24 PRO HG2 1 52 SER HA . . 3.660 3.727 3.717 3.736 0.076 3 0 "[ . 1 . 2]" 1 362 1 24 PRO HG3 1 52 SER HA . . 3.640 2.947 2.875 3.043 . 0 0 "[ . 1 . 2]" 1 363 1 24 PRO HB3 1 52 SER HA . . 4.350 4.087 3.950 4.293 . 0 0 "[ . 1 . 2]" 1 364 1 52 SER H 1 52 SER HB3 . . 4.120 2.934 2.221 3.568 . 0 0 "[ . 1 . 2]" 1 365 1 51 GLU QG 1 52 SER HB3 . . 5.290 4.513 3.581 5.084 . 0 0 "[ . 1 . 2]" 1 366 1 51 GLU QB 1 52 SER HB2 . . 5.340 4.994 4.767 5.330 . 0 0 "[ . 1 . 2]" 1 367 1 52 SER H 1 53 GLY HA2 . . 4.590 4.566 4.541 4.600 0.010 13 0 "[ . 1 . 2]" 1 368 1 67 GLY HA3 1 69 TYR QD . . 5.410 4.801 4.531 5.215 . 0 0 "[ . 1 . 2]" 1 369 1 1 GLY HA3 1 2 PRO QD . . 2.740 2.260 2.030 2.406 . 0 0 "[ . 1 . 2]" 1 370 1 24 PRO HB3 1 53 GLY HA3 . . 3.990 2.409 2.266 2.551 . 0 0 "[ . 1 . 2]" 1 371 1 49 THR MG 1 53 GLY HA3 . . 4.450 4.337 4.167 4.439 . 0 0 "[ . 1 . 2]" 1 372 1 15 LYS QD 1 54 GLU HA . . 4.600 2.604 2.319 3.083 . 0 0 "[ . 1 . 2]" 1 373 1 49 THR MG 1 54 GLU HA . . 4.260 4.015 3.774 4.235 . 0 0 "[ . 1 . 2]" 1 374 1 18 ASP HA 1 111 LEU HB3 . . 4.550 3.441 3.401 3.534 . 0 0 "[ . 1 . 2]" 1 375 1 55 LEU HG 1 56 HIS HA . . 4.710 3.960 3.889 4.097 . 0 0 "[ . 1 . 2]" 1 376 1 58 LEU HA 1 58 LEU HG . . 3.880 2.829 2.737 2.908 . 0 0 "[ . 1 . 2]" 1 377 1 47 GLY HA2 1 55 LEU MD2 . . 4.040 3.694 3.423 3.861 . 0 0 "[ . 1 . 2]" 1 378 1 47 GLY HA3 1 55 LEU MD2 . . 3.740 2.502 2.058 2.783 . 0 0 "[ . 1 . 2]" 1 379 1 108 ALA H 1 120 ALA MB . . 3.670 2.745 2.334 3.044 . 0 0 "[ . 1 . 2]" 1 380 1 120 ALA H 1 120 ALA MB . . 3.550 2.422 2.242 2.641 . 0 0 "[ . 1 . 2]" 1 381 1 120 ALA MB 1 121 VAL H . . 3.550 3.192 2.876 3.351 . 0 0 "[ . 1 . 2]" 1 382 1 83 GLY HA3 1 84 ILE MD . . 4.710 4.029 3.937 4.080 . 0 0 "[ . 1 . 2]" 1 383 1 31 HIS HA 1 46 SER H . . 5.150 4.837 4.802 4.912 . 0 0 "[ . 1 . 2]" 1 384 1 30 VAL HA 1 73 ILE HG12 . . 4.430 3.859 3.627 4.007 . 0 0 "[ . 1 . 2]" 1 385 1 46 SER H 1 58 LEU MD2 . . 4.190 1.919 1.874 1.965 . 0 0 "[ . 1 . 2]" 1 386 1 58 LEU H 1 58 LEU MD2 . . 4.300 3.887 3.800 4.115 . 0 0 "[ . 1 . 2]" 1 387 1 82 LEU MD2 1 83 GLY H . . 4.450 4.505 4.492 4.520 0.070 7 0 "[ . 1 . 2]" 1 388 1 46 SER HA 1 58 LEU MD2 . . 4.230 2.529 2.417 2.617 . 0 0 "[ . 1 . 2]" 1 389 1 32 VAL HB 1 58 LEU MD2 . . 4.670 4.115 3.885 4.288 . 0 0 "[ . 1 . 2]" 1 390 1 58 LEU HB3 1 58 LEU MD2 . . 3.450 2.301 2.213 2.353 . 0 0 "[ . 1 . 2]" 1 391 1 32 VAL HB 1 58 LEU MD1 . . 4.670 3.429 3.058 3.696 . 0 0 "[ . 1 . 2]" 1 392 1 59 THR HA 1 63 GLU QG . . 4.620 4.500 4.412 4.619 . 0 0 "[ . 1 . 2]" 1 393 1 59 THR HA 1 60 THR MG . . 3.630 3.621 3.607 3.633 0.003 9 0 "[ . 1 . 2]" 1 394 1 59 THR H 1 59 THR HB . . 4.170 3.817 3.770 3.862 . 0 0 "[ . 1 . 2]" 1 395 1 60 THR HA 1 61 GLU H . . 3.530 2.493 2.441 2.533 . 0 0 "[ . 1 . 2]" 1 396 1 59 THR MG 1 60 THR HA . . 5.430 5.419 5.401 5.431 0.001 3 0 "[ . 1 . 2]" 1 397 1 80 LYS HA 1 83 GLY H . . 3.760 3.090 3.047 3.130 . 0 0 "[ . 1 . 2]" 1 398 1 60 THR HB 1 61 GLU HA . . 4.820 4.617 4.589 4.659 . 0 0 "[ . 1 . 2]" 1 399 1 60 THR HB 1 63 GLU HB3 . . 5.500 4.529 4.364 4.678 . 0 0 "[ . 1 . 2]" 1 400 1 60 THR HA 1 61 GLU HA . . 4.590 4.312 4.309 4.315 . 0 0 "[ . 1 . 2]" 1 401 1 61 GLU HA 1 64 PHE QB . . 4.370 2.561 2.454 2.808 . 0 0 "[ . 1 . 2]" 1 402 1 51 GLU HA 1 51 GLU QB . . 2.750 2.172 2.172 2.173 . 0 0 "[ . 1 . 2]" 1 403 1 76 LYS HA 1 76 LYS QD . . 4.540 3.773 3.703 3.932 . 0 0 "[ . 1 . 2]" 1 404 1 60 THR MG 1 61 GLU HA . . 5.500 5.542 5.531 5.559 0.059 10 0 "[ . 1 . 2]" 1 405 1 62 GLU H 1 62 GLU HG2 . . 3.450 2.374 2.343 2.443 . 0 0 "[ . 1 . 2]" 1 406 1 60 THR H 1 63 GLU QG . . 4.010 3.626 3.552 3.729 . 0 0 "[ . 1 . 2]" 1 407 1 60 THR HB 1 62 GLU HG2 . . 4.240 4.240 4.225 4.250 0.010 10 0 "[ . 1 . 2]" 1 408 1 63 GLU QG 1 64 PHE QB . . 4.700 4.409 4.272 4.574 . 0 0 "[ . 1 . 2]" 1 409 1 127 GLU HA 1 127 GLU QG . . 3.360 2.879 2.296 3.351 . 0 0 "[ . 1 . 2]" 1 410 1 60 THR H 1 63 GLU HA . . 5.380 5.368 5.338 5.388 0.008 4 0 "[ . 1 . 2]" 1 411 1 63 GLU HA 1 65 VAL MG1 . . 4.200 3.783 3.545 4.066 . 0 0 "[ . 1 . 2]" 1 412 1 63 GLU HB2 1 64 PHE H . . 4.330 4.092 4.021 4.115 . 0 0 "[ . 1 . 2]" 1 413 1 60 THR H 1 63 GLU HB2 . . 3.920 3.797 3.664 3.864 . 0 0 "[ . 1 . 2]" 1 414 1 126 LYS HA 1 127 GLU H . . 3.550 3.434 3.124 3.516 . 0 0 "[ . 1 . 2]" 1 415 1 63 GLU HA 1 63 GLU QG . . 3.240 2.971 2.493 3.134 . 0 0 "[ . 1 . 2]" 1 416 1 59 THR MG 1 64 PHE QB . . 4.770 4.487 4.167 4.721 . 0 0 "[ . 1 . 2]" 1 417 1 65 VAL HA 1 65 VAL MG2 . . 3.230 3.197 3.186 3.203 . 0 0 "[ . 1 . 2]" 1 418 1 65 VAL HA 1 65 VAL MG1 . . 2.780 2.321 2.149 2.399 . 0 0 "[ . 1 . 2]" 1 419 1 65 VAL MG1 1 66 GLU H . . 3.540 3.473 3.368 3.540 0.000 1 0 "[ . 1 . 2]" 1 420 1 64 PHE HA 1 65 VAL MG1 . . 4.340 3.984 3.787 4.262 . 0 0 "[ . 1 . 2]" 1 421 1 68 ILE MG 1 94 VAL MG1 . . 2.620 1.907 1.873 1.995 . 0 0 "[ . 1 . 2]" 1 422 1 41 TRP HH2 1 68 ILE MG . . 3.160 1.932 1.898 1.979 . 0 0 "[ . 1 . 2]" 1 423 1 41 TRP HZ3 1 68 ILE MG . . 3.460 2.432 2.270 2.655 . 0 0 "[ . 1 . 2]" 1 424 1 68 ILE MG 1 94 VAL HA . . 4.750 3.936 3.814 4.038 . 0 0 "[ . 1 . 2]" 1 425 1 68 ILE HA 1 68 ILE MG . . 3.420 2.294 2.265 2.315 . 0 0 "[ . 1 . 2]" 1 426 1 41 TRP HZ2 1 68 ILE MG . . 3.940 3.863 3.811 3.914 . 0 0 "[ . 1 . 2]" 1 427 1 68 ILE MG 1 69 TYR H . . 3.330 2.168 2.140 2.238 . 0 0 "[ . 1 . 2]" 1 428 1 35 LYS QG 1 68 ILE MG . . 4.470 4.121 3.878 4.332 . 0 0 "[ . 1 . 2]" 1 429 1 66 GLU HA 1 66 GLU HG2 . . 3.820 3.539 2.781 3.818 . 0 0 "[ . 1 . 2]" 1 430 1 66 GLU HA 1 97 ALA MB . . 4.710 3.158 2.847 3.382 . 0 0 "[ . 1 . 2]" 1 431 1 66 GLU H 1 66 GLU HB3 . . 3.710 2.714 2.526 2.936 . 0 0 "[ . 1 . 2]" 1 432 1 66 GLU HA 1 66 GLU HG3 . . 3.820 3.295 2.236 3.811 . 0 0 "[ . 1 . 2]" 1 433 1 63 GLU QG 1 65 VAL MG1 . . 4.810 4.574 4.291 4.791 . 0 0 "[ . 1 . 2]" 1 434 1 59 THR MG 1 63 GLU QG . . 4.100 2.734 2.390 2.849 . 0 0 "[ . 1 . 2]" 1 435 1 67 GLY HA2 1 68 ILE HA . . 4.780 4.353 4.326 4.383 . 0 0 "[ . 1 . 2]" 1 436 1 67 GLY HA2 1 68 ILE HG12 . . 5.500 5.420 5.362 5.500 . 0 0 "[ . 1 . 2]" 1 437 1 67 GLY HA2 1 68 ILE HB . . 5.390 5.173 5.084 5.256 . 0 0 "[ . 1 . 2]" 1 438 1 67 GLY HA2 1 68 ILE HG13 . . 4.700 3.827 3.759 3.971 . 0 0 "[ . 1 . 2]" 1 439 1 67 GLY HA2 1 97 ALA MB . . 4.350 3.914 3.075 4.345 . 0 0 "[ . 1 . 2]" 1 440 1 24 PRO HG3 1 53 GLY HA3 . . 4.440 4.237 4.013 4.405 . 0 0 "[ . 1 . 2]" 1 441 1 68 ILE HA 1 68 ILE HG12 . . 3.890 3.487 3.446 3.549 . 0 0 "[ . 1 . 2]" 1 442 1 68 ILE HA 1 68 ILE HG13 . . 3.620 2.474 2.460 2.491 . 0 0 "[ . 1 . 2]" 1 443 1 68 ILE HA 1 96 THR HA . . 3.760 2.136 1.997 2.242 . 0 0 "[ . 1 . 2]" 1 444 1 68 ILE HA 1 69 TYR QD . . 4.480 3.192 3.020 3.477 . 0 0 "[ . 1 . 2]" 1 445 1 35 LYS QE 1 68 ILE HB . . 4.550 3.674 3.558 3.843 . 0 0 "[ . 1 . 2]" 1 446 1 67 GLY HA3 1 68 ILE HB . . 5.350 5.042 4.970 5.131 . 0 0 "[ . 1 . 2]" 1 447 1 35 LYS HA 1 68 ILE HB . . 4.580 4.554 4.460 4.598 0.018 17 0 "[ . 1 . 2]" 1 448 1 68 ILE HB 1 69 TYR H . . 4.940 3.766 3.742 3.823 . 0 0 "[ . 1 . 2]" 1 449 1 68 ILE HB 1 68 ILE MD . . 2.960 2.100 2.043 2.131 . 0 0 "[ . 1 . 2]" 1 450 1 68 ILE MD 1 68 ILE MG . . 3.160 3.055 3.015 3.116 . 0 0 "[ . 1 . 2]" 1 451 1 35 LYS QG 1 68 ILE MD . . 4.070 2.081 1.958 2.167 . 0 0 "[ . 1 . 2]" 1 452 1 68 ILE MD 1 96 THR HA . . 4.340 4.185 3.955 4.334 . 0 0 "[ . 1 . 2]" 1 453 1 68 ILE HA 1 68 ILE MD . . 3.820 3.593 3.496 3.641 . 0 0 "[ . 1 . 2]" 1 454 1 67 GLY HA3 1 68 ILE MD . . 4.430 3.686 3.503 3.929 . 0 0 "[ . 1 . 2]" 1 455 1 67 GLY HA2 1 68 ILE MD . . 4.690 3.113 2.879 3.175 . 0 0 "[ . 1 . 2]" 1 456 1 41 TRP HH2 1 68 ILE MD . . 4.490 4.328 4.158 4.494 0.004 10 0 "[ . 1 . 2]" 1 457 1 41 TRP HZ3 1 68 ILE MD . . 4.930 4.590 4.463 4.742 . 0 0 "[ . 1 . 2]" 1 458 1 35 LYS H 1 68 ILE MD . . 4.440 4.422 4.352 4.450 0.010 9 0 "[ . 1 . 2]" 1 459 1 68 ILE MG 1 69 TYR QD . . 4.610 4.361 4.240 4.522 . 0 0 "[ . 1 . 2]" 1 460 1 68 ILE HG13 1 69 TYR H . . 4.700 4.471 4.427 4.507 . 0 0 "[ . 1 . 2]" 1 461 1 68 ILE H 1 68 ILE HG12 . . 4.170 3.927 3.839 4.034 . 0 0 "[ . 1 . 2]" 1 462 1 79 TRP HA 1 84 ILE HG12 . . 4.410 4.432 4.422 4.449 0.039 12 0 "[ . 1 . 2]" 1 463 1 17 LEU HG 1 24 PRO HA . . 4.200 2.146 2.123 2.162 . 0 0 "[ . 1 . 2]" 1 464 1 84 ILE HA 1 84 ILE HG12 . . 3.650 3.543 3.537 3.554 . 0 0 "[ . 1 . 2]" 1 465 1 17 LEU HG 1 24 PRO HD3 . . 3.890 3.371 3.256 3.563 . 0 0 "[ . 1 . 2]" 1 466 1 68 ILE HG12 1 68 ILE MG . . 3.170 2.142 2.114 2.170 . 0 0 "[ . 1 . 2]" 1 467 1 45 ALA MB 1 58 LEU HB3 . . 3.830 1.997 1.960 2.048 . 0 0 "[ . 1 . 2]" 1 468 1 32 VAL MG2 1 58 LEU HB3 . . 4.040 3.913 3.713 4.046 0.006 17 0 "[ . 1 . 2]" 1 469 1 58 LEU HB3 1 59 THR H . . 4.530 2.966 2.846 3.194 . 0 0 "[ . 1 . 2]" 1 470 1 72 GLU HA 1 92 GLU HG2 . . 4.690 3.258 2.762 4.285 . 0 0 "[ . 1 . 2]" 1 471 1 72 GLU HA 1 92 GLU HB3 . . 3.900 3.846 3.674 3.909 0.009 12 0 "[ . 1 . 2]" 1 472 1 72 GLU HA 1 73 ILE HG12 . . 4.830 4.808 4.758 4.838 0.008 7 0 "[ . 1 . 2]" 1 473 1 70 LYS HA 1 71 VAL MG2 . . 4.100 3.665 3.597 3.734 . 0 0 "[ . 1 . 2]" 1 474 1 70 LYS HA 1 94 VAL MG1 . . 4.370 3.535 3.412 3.683 . 0 0 "[ . 1 . 2]" 1 475 1 70 LYS HA 1 94 VAL MG2 . . 3.750 3.228 3.153 3.338 . 0 0 "[ . 1 . 2]" 1 476 1 70 LYS HA 1 95 PHE H . . 4.450 3.304 3.192 3.400 . 0 0 "[ . 1 . 2]" 1 477 1 69 TYR H 1 70 LYS HA . . 5.030 4.782 4.722 4.921 . 0 0 "[ . 1 . 2]" 1 478 1 31 HIS HB2 1 72 GLU HB2 . . 4.480 2.528 2.318 2.716 . 0 0 "[ . 1 . 2]" 1 479 1 13 MET QB 1 106 THR HA . . 3.600 2.184 1.972 2.466 . 0 0 "[ . 1 . 2]" 1 480 1 12 LEU HA 1 13 MET QB . . 4.230 4.005 3.889 4.117 . 0 0 "[ . 1 . 2]" 1 481 1 13 MET QB 1 14 VAL H . . 4.380 3.630 3.449 3.806 . 0 0 "[ . 1 . 2]" 1 482 1 13 MET H 1 13 MET QB . . 3.630 2.510 2.350 2.639 . 0 0 "[ . 1 . 2]" 1 483 1 70 LYS HB3 1 70 LYS HE3 . . 5.180 3.067 1.914 3.615 . 0 0 "[ . 1 . 2]" 1 484 1 70 LYS HB3 1 94 VAL MG2 . . 4.320 4.136 3.972 4.258 . 0 0 "[ . 1 . 2]" 1 485 1 70 LYS HB2 1 94 VAL MG2 . . 4.170 2.819 2.562 3.003 . 0 0 "[ . 1 . 2]" 1 486 1 70 LYS HA 1 70 LYS HD2 . . 5.090 4.800 4.736 4.906 . 0 0 "[ . 1 . 2]" 1 487 1 70 LYS HA 1 70 LYS HD3 . . 4.640 4.508 4.451 4.706 0.066 9 0 "[ . 1 . 2]" 1 488 1 70 LYS HD2 1 92 GLU HB2 . . 4.730 4.218 3.772 4.749 0.019 9 0 "[ . 1 . 2]" 1 489 1 33 PHE QD 1 70 LYS HD3 . . 5.500 5.354 4.440 5.507 0.007 10 0 "[ . 1 . 2]" 1 490 1 70 LYS QG 1 71 VAL H . . 4.770 2.740 2.355 2.896 . 0 0 "[ . 1 . 2]" 1 491 1 126 LYS QG 1 127 GLU H . . 3.920 2.633 2.118 3.934 0.014 15 0 "[ . 1 . 2]" 1 492 1 82 LEU H 1 82 LEU HG . . 3.640 2.128 2.110 2.155 . 0 0 "[ . 1 . 2]" 1 493 1 126 LYS QG 1 127 GLU QG . . 3.930 3.388 2.587 3.949 0.019 20 0 "[ . 1 . 2]" 1 494 1 9 LYS QD 1 9 LYS HG2 . . 2.760 2.328 2.156 2.476 . 0 0 "[ . 1 . 2]" 1 495 1 9 LYS QD 1 9 LYS HG3 . . 2.760 2.278 2.155 2.513 . 0 0 "[ . 1 . 2]" 1 496 1 93 VAL H 1 93 VAL MG2 . . 3.210 2.958 2.866 3.029 . 0 0 "[ . 1 . 2]" 1 497 1 94 VAL H 1 94 VAL MG2 . . 3.350 2.647 2.524 2.752 . 0 0 "[ . 1 . 2]" 1 498 1 122 VAL H 1 122 VAL MG2 . . 3.430 2.570 2.244 2.708 . 0 0 "[ . 1 . 2]" 1 499 1 94 VAL HA 1 94 VAL MG2 . . 2.940 2.401 2.351 2.435 . 0 0 "[ . 1 . 2]" 1 500 1 32 VAL MG2 1 71 VAL MG2 . . 2.720 2.372 2.198 2.476 . 0 0 "[ . 1 . 2]" 1 501 1 30 VAL MG1 1 32 VAL MG2 . . 2.950 2.777 2.752 2.811 . 0 0 "[ . 1 . 2]" 1 502 1 32 VAL MG2 1 46 SER HA . . 3.880 3.235 3.130 3.325 . 0 0 "[ . 1 . 2]" 1 503 1 93 VAL HA 1 94 VAL MG2 . . 3.520 3.501 3.434 3.537 0.017 4 0 "[ . 1 . 2]" 1 504 1 32 VAL HA 1 32 VAL MG2 . . 3.370 2.418 2.406 2.433 . 0 0 "[ . 1 . 2]" 1 505 1 31 HIS H 1 71 VAL MG1 . . 3.620 3.242 3.121 3.332 . 0 0 "[ . 1 . 2]" 1 506 1 71 VAL MG1 1 72 GLU HA . . 3.970 3.508 3.439 3.672 . 0 0 "[ . 1 . 2]" 1 507 1 71 VAL HA 1 71 VAL MG1 . . 3.350 2.402 2.376 2.421 . 0 0 "[ . 1 . 2]" 1 508 1 14 VAL MG1 1 107 ILE HB . . 3.620 3.425 3.264 3.583 . 0 0 "[ . 1 . 2]" 1 509 1 14 VAL MG2 1 107 ILE HB . . 3.800 3.491 3.244 3.792 . 0 0 "[ . 1 . 2]" 1 510 1 30 VAL MG2 1 49 THR MG . . 2.720 2.434 2.395 2.548 . 0 0 "[ . 1 . 2]" 1 511 1 94 VAL HA 1 94 VAL MG1 . . 3.190 2.322 2.283 2.406 . 0 0 "[ . 1 . 2]" 1 512 1 72 GLU H 1 72 GLU HG3 . . 4.710 3.421 2.960 4.531 . 0 0 "[ . 1 . 2]" 1 513 1 73 ILE H 1 73 ILE MD . . 4.090 3.850 3.792 3.950 . 0 0 "[ . 1 . 2]" 1 514 1 73 ILE MD 1 91 ALA H . . 4.860 4.756 4.631 4.857 . 0 0 "[ . 1 . 2]" 1 515 1 16 VAL H 1 73 ILE MD . . 5.500 5.365 5.122 5.500 0.000 7 0 "[ . 1 . 2]" 1 516 1 17 LEU H 1 73 ILE MD . . 5.500 5.321 5.133 5.505 0.005 7 0 "[ . 1 . 2]" 1 517 1 107 ILE MD 1 122 VAL H . . 4.540 2.276 1.906 2.542 . 0 0 "[ . 1 . 2]" 1 518 1 106 THR H 1 107 ILE MD . . 4.480 4.262 3.965 4.480 . 5 0 "[ . 1 . 2]" 1 519 1 107 ILE MD 1 108 ALA H . . 3.840 3.674 3.542 3.833 . 0 0 "[ . 1 . 2]" 1 520 1 107 ILE MD 1 121 VAL H . . 4.620 4.580 4.376 4.627 0.007 19 0 "[ . 1 . 2]" 1 521 1 105 TYR QR 1 107 ILE MD . . 5.060 3.938 2.028 5.024 . 0 0 "[ . 1 . 2]" 1 522 1 95 PHE QD 1 107 ILE MD . . 4.470 3.610 2.247 4.158 . 0 0 "[ . 1 . 2]" 1 523 1 95 PHE QE 1 107 ILE MD . . 3.960 3.337 2.552 3.910 . 0 0 "[ . 1 . 2]" 1 524 1 73 ILE MD 1 109 ALA HA . . 5.500 5.416 5.176 5.510 0.010 16 0 "[ . 1 . 2]" 1 525 1 72 GLU HA 1 73 ILE MD . . 5.270 5.017 4.924 5.093 . 0 0 "[ . 1 . 2]" 1 526 1 73 ILE HA 1 73 ILE MD . . 4.000 3.860 3.852 3.872 . 0 0 "[ . 1 . 2]" 1 527 1 107 ILE HA 1 107 ILE MD . . 3.730 2.041 1.967 2.171 . 0 0 "[ . 1 . 2]" 1 528 1 107 ILE MD 1 121 VAL HA . . 4.000 2.085 1.933 2.163 . 0 0 "[ . 1 . 2]" 1 529 1 16 VAL HB 1 73 ILE MD . . 4.930 4.775 4.659 4.924 . 0 0 "[ . 1 . 2]" 1 530 1 73 ILE MD 1 109 ALA MB . . 3.120 2.889 2.650 2.992 . 0 0 "[ . 1 . 2]" 1 531 1 73 ILE MD 1 111 LEU MD2 . . 4.220 4.129 3.870 4.239 0.019 18 0 "[ . 1 . 2]" 1 532 1 105 TYR HB2 1 107 ILE MD . . 5.100 4.236 3.409 5.082 . 0 0 "[ . 1 . 2]" 1 533 1 107 ILE HB 1 107 ILE MD . . 3.650 3.222 3.216 3.230 . 0 0 "[ . 1 . 2]" 1 534 1 107 ILE MD 1 119 MET ME . . 5.070 4.672 4.207 4.971 . 0 0 "[ . 1 . 2]" 1 535 1 107 ILE MD 1 122 VAL MG2 . . 3.200 2.979 2.368 3.196 . 0 0 "[ . 1 . 2]" 1 536 1 107 ILE MD 1 107 ILE MG . . 2.770 1.988 1.923 2.120 . 0 0 "[ . 1 . 2]" 1 537 1 73 ILE MG 1 90 HIS HA . . 5.500 5.031 4.841 5.194 . 0 0 "[ . 1 . 2]" 1 538 1 107 ILE MG 1 108 ALA HA . . 4.060 3.935 3.725 4.055 . 0 0 "[ . 1 . 2]" 1 539 1 73 ILE MG 1 74 ASP HA . . 4.230 3.964 3.860 4.085 . 0 0 "[ . 1 . 2]" 1 540 1 30 VAL HA 1 73 ILE MG . . 3.760 3.748 3.617 3.781 0.021 17 0 "[ . 1 . 2]" 1 541 1 73 ILE MG 1 75 THR HA . . 4.490 3.529 3.389 3.696 . 0 0 "[ . 1 . 2]" 1 542 1 28 VAL HA 1 73 ILE MG . . 4.860 4.431 4.318 4.584 . 0 0 "[ . 1 . 2]" 1 543 1 73 ILE HG12 1 73 ILE MG . . 3.410 2.381 2.337 2.415 . 0 0 "[ . 1 . 2]" 1 544 1 73 ILE MG 1 75 THR MG . . 3.440 2.457 2.130 2.634 . 0 0 "[ . 1 . 2]" 1 545 1 107 ILE MG 1 109 ALA MB . . 3.770 3.065 2.844 3.217 . 0 0 "[ . 1 . 2]" 1 546 1 107 ILE HG12 1 107 ILE MG . . 3.220 3.194 3.183 3.202 . 0 0 "[ . 1 . 2]" 1 547 1 73 ILE MG 1 111 LEU MD2 . . 3.440 3.003 2.819 3.152 . 0 0 "[ . 1 . 2]" 1 548 1 107 ILE MG 1 108 ALA H . . 3.490 2.777 2.460 3.199 . 0 0 "[ . 1 . 2]" 1 549 1 26 ILE HB 1 27 ASN HB2 . . 5.100 4.095 4.092 4.098 . 0 0 "[ . 1 . 2]" 1 550 1 73 ILE HA 1 73 ILE MG . . 3.430 2.290 2.205 2.368 . 0 0 "[ . 1 . 2]" 1 551 1 43 PRO HB2 1 44 PHE HA . . 4.800 4.530 4.514 4.556 . 0 0 "[ . 1 . 2]" 1 552 1 41 TRP HA 1 42 GLU HA . . 4.810 4.398 4.395 4.400 . 0 0 "[ . 1 . 2]" 1 553 1 73 ILE HA 1 74 ASP HA . . 5.160 4.377 4.374 4.385 . 0 0 "[ . 1 . 2]" 1 554 1 42 GLU HA 1 43 PRO HD3 . . 3.100 2.324 2.298 2.333 . 0 0 "[ . 1 . 2]" 1 555 1 15 LYS QE 1 15 LYS QG . . 2.810 2.352 2.106 2.561 . 0 0 "[ . 1 . 2]" 1 556 1 15 LYS QE 1 106 THR MG . . 3.710 2.681 2.394 2.963 . 0 0 "[ . 1 . 2]" 1 557 1 28 VAL MG1 1 74 ASP HB2 . . 5.500 4.188 3.665 4.832 . 0 0 "[ . 1 . 2]" 1 558 1 74 ASP HA 1 75 THR HA . . 4.980 4.515 4.456 4.540 . 0 0 "[ . 1 . 2]" 1 559 1 75 THR HA 1 78 TYR HB2 . . 5.090 3.580 3.389 3.800 . 0 0 "[ . 1 . 2]" 1 560 1 28 VAL MG1 1 75 THR HA . . 4.310 3.487 3.224 3.653 . 0 0 "[ . 1 . 2]" 1 561 1 75 THR HB 1 79 TRP HE1 . . 4.750 2.158 2.062 2.392 . 0 0 "[ . 1 . 2]" 1 562 1 75 THR HB 1 111 LEU MD1 . . 4.580 4.161 3.933 4.387 . 0 0 "[ . 1 . 2]" 1 563 1 109 ALA MB 1 110 MET H . . 3.350 2.918 2.770 3.066 . 0 0 "[ . 1 . 2]" 1 564 1 75 THR MG 1 90 HIS HA . . 3.460 3.137 2.931 3.291 . 0 0 "[ . 1 . 2]" 1 565 1 74 ASP HA 1 75 THR MG . . 3.890 3.804 3.728 3.836 . 0 0 "[ . 1 . 2]" 1 566 1 75 THR HA 1 75 THR MG . . 3.500 2.474 2.454 2.494 . 0 0 "[ . 1 . 2]" 1 567 1 28 VAL MG2 1 78 TYR HA . . 5.500 4.436 4.166 4.594 . 0 0 "[ . 1 . 2]" 1 568 1 76 LYS QD 1 77 SER H . . 4.420 2.584 1.923 2.926 . 0 0 "[ . 1 . 2]" 1 569 1 21 ARG HG3 1 23 SER H . . 4.980 4.703 4.625 4.760 . 0 0 "[ . 1 . 2]" 1 570 1 76 LYS QB 1 76 LYS QD . . 2.790 2.212 1.980 2.689 . 0 0 "[ . 1 . 2]" 1 571 1 80 LYS HG3 1 81 ALA HA . . 3.480 3.435 3.267 3.459 . 0 0 "[ . 1 . 2]" 1 572 1 79 TRP H 1 80 LYS HG2 . . 5.500 4.995 4.915 5.481 . 0 0 "[ . 1 . 2]" 1 573 1 79 TRP H 1 80 LYS HG3 . . 5.060 4.525 4.470 4.876 . 0 0 "[ . 1 . 2]" 1 574 1 80 LYS HG3 1 81 ALA H . . 4.710 2.309 2.278 2.426 . 0 0 "[ . 1 . 2]" 1 575 1 80 LYS HG3 1 82 LEU H . . 5.060 4.754 4.737 4.807 . 0 0 "[ . 1 . 2]" 1 576 1 80 LYS H 1 80 LYS HG3 . . 4.130 2.565 2.534 2.819 . 0 0 "[ . 1 . 2]" 1 577 1 80 LYS H 1 80 LYS HG2 . . 4.180 3.214 3.167 3.548 . 0 0 "[ . 1 . 2]" 1 578 1 80 LYS QD 1 80 LYS HG3 . . 2.640 2.154 2.146 2.166 . 0 0 "[ . 1 . 2]" 1 579 1 76 LYS QB 1 76 LYS QE . . 3.420 2.611 1.933 3.372 . 0 0 "[ . 1 . 2]" 1 580 1 74 ASP HB3 1 77 SER QB . . 4.770 3.360 2.880 3.665 . 0 0 "[ . 1 . 2]" 1 581 1 74 ASP HB2 1 77 SER QB . . 4.770 4.231 3.769 4.775 0.005 4 0 "[ . 1 . 2]" 1 582 1 28 VAL HA 1 78 TYR HB3 . . 5.500 5.242 4.566 5.494 . 0 0 "[ . 1 . 2]" 1 583 1 29 ALA MB 1 77 SER QB . . 3.790 3.391 2.964 3.653 . 0 0 "[ . 1 . 2]" 1 584 1 28 VAL HA 1 48 LYS HG2 . . 5.190 4.598 4.544 4.649 . 0 0 "[ . 1 . 2]" 1 585 1 84 ILE HG13 1 85 SER HB2 . . 5.500 5.394 5.329 5.493 . 0 0 "[ . 1 . 2]" 1 586 1 28 VAL HA 1 28 VAL MG1 . . 3.230 2.342 2.309 2.377 . 0 0 "[ . 1 . 2]" 1 587 1 77 SER HA 1 80 LYS QE . . 4.690 3.736 3.454 4.645 . 0 0 "[ . 1 . 2]" 1 588 1 75 THR MG 1 78 TYR HB3 . . 5.080 4.538 4.261 4.772 . 0 0 "[ . 1 . 2]" 1 589 1 28 VAL MG1 1 78 TYR HB3 . . 5.500 4.668 4.187 4.886 . 0 0 "[ . 1 . 2]" 1 590 1 7 GLU QG 1 8 SER HA . . 4.820 4.007 3.209 4.820 . 6 0 "[ . 1 . 2]" 1 591 1 79 TRP HA 1 84 ILE HB . . 3.420 2.727 2.679 2.813 . 0 0 "[ . 1 . 2]" 1 592 1 79 TRP HA 1 82 LEU HG . . 3.960 3.883 3.826 3.938 . 0 0 "[ . 1 . 2]" 1 593 1 79 TRP HA 1 82 LEU MD2 . . 3.700 3.750 3.734 3.809 0.109 7 0 "[ . 1 . 2]" 1 594 1 79 TRP HA 1 84 ILE H . . 4.530 3.369 3.289 3.509 . 0 0 "[ . 1 . 2]" 1 595 1 79 TRP HA 1 79 TRP HE3 . . 3.460 1.971 1.957 1.985 . 0 0 "[ . 1 . 2]" 1 596 1 79 TRP HB2 1 80 LYS H . . 4.860 3.021 2.996 3.077 . 0 0 "[ . 1 . 2]" 1 597 1 79 TRP HB2 1 84 ILE HB . . 4.730 4.356 4.245 4.415 . 0 0 "[ . 1 . 2]" 1 598 1 79 TRP HB3 1 84 ILE HB . . 4.730 2.727 2.593 2.797 . 0 0 "[ . 1 . 2]" 1 599 1 80 LYS HA 1 80 LYS QE . . 4.880 4.709 4.541 4.880 0.000 16 0 "[ . 1 . 2]" 1 600 1 80 LYS HA 1 80 LYS QD . . 3.690 3.677 3.383 3.705 0.015 20 0 "[ . 1 . 2]" 1 601 1 80 LYS HA 1 80 LYS HG3 . . 3.790 3.581 3.573 3.600 . 0 0 "[ . 1 . 2]" 1 602 1 80 LYS H 1 80 LYS HB2 . . 3.650 3.608 3.563 3.613 . 0 0 "[ . 1 . 2]" 1 603 1 80 LYS HB3 1 81 ALA H . . 4.000 3.993 3.857 4.018 0.018 20 0 "[ . 1 . 2]" 1 604 1 80 LYS HB3 1 80 LYS QE . . 3.420 3.212 3.108 3.432 0.012 7 0 "[ . 1 . 2]" 1 605 1 80 LYS HB2 1 80 LYS QD . . 3.280 2.144 2.062 2.279 . 0 0 "[ . 1 . 2]" 1 606 1 7 GLU HB3 1 7 GLU QG . . 2.490 2.362 2.143 2.467 . 0 0 "[ . 1 . 2]" 1 607 1 19 ALA MB 1 110 MET HB3 . . 2.850 2.137 1.974 2.315 . 0 0 "[ . 1 . 2]" 1 608 1 126 LYS H 1 126 LYS QE . . 5.080 4.217 3.743 4.904 . 0 0 "[ . 1 . 2]" 1 609 1 80 LYS QD 1 83 GLY H . . 5.500 5.402 5.035 5.500 0.000 16 0 "[ . 1 . 2]" 1 610 1 80 LYS QD 1 81 ALA H . . 5.150 3.663 3.615 3.737 . 0 0 "[ . 1 . 2]" 1 611 1 80 LYS QD 1 81 ALA HA . . 4.180 3.133 2.920 3.189 . 0 0 "[ . 1 . 2]" 1 612 1 18 ASP HA 1 19 ALA HA . . 4.540 4.361 4.357 4.367 . 0 0 "[ . 1 . 2]" 1 613 1 80 LYS QE 1 81 ALA HA . . 5.250 5.209 5.014 5.259 0.009 19 0 "[ . 1 . 2]" 1 614 1 19 ALA HA 1 110 MET HG2 . . 4.870 4.386 4.276 4.601 . 0 0 "[ . 1 . 2]" 1 615 1 19 ALA HA 1 110 MET HB2 . . 5.500 5.158 5.035 5.344 . 0 0 "[ . 1 . 2]" 1 616 1 19 ALA HA 1 110 MET HG3 . . 5.500 5.211 5.093 5.500 0.000 17 0 "[ . 1 . 2]" 1 617 1 81 ALA MB 1 82 LEU HA . . 4.220 3.952 3.922 4.012 . 0 0 "[ . 1 . 2]" 1 618 1 77 SER QB 1 81 ALA MB . . 5.320 5.052 4.974 5.230 . 0 0 "[ . 1 . 2]" 1 619 1 80 LYS QE 1 81 ALA MB . . 5.500 5.361 5.244 5.541 0.041 7 0 "[ . 1 . 2]" 1 620 1 78 TYR HB3 1 81 ALA MB . . 5.270 5.102 5.008 5.225 . 0 0 "[ . 1 . 2]" 1 621 1 81 ALA MB 1 82 LEU MD1 . . 4.250 3.454 3.359 3.538 . 0 0 "[ . 1 . 2]" 1 622 1 81 ALA MB 1 82 LEU MD2 . . 4.250 3.937 3.853 3.987 . 0 0 "[ . 1 . 2]" 1 623 1 79 TRP H 1 81 ALA MB . . 4.850 4.690 4.627 4.842 . 0 0 "[ . 1 . 2]" 1 624 1 79 TRP HE3 1 84 ILE HB . . 4.050 1.987 1.978 1.996 . 0 0 "[ . 1 . 2]" 1 625 1 79 TRP HE3 1 82 LEU HB2 . . 5.190 5.191 5.094 5.214 0.024 19 0 "[ . 1 . 2]" 1 626 1 83 GLY HA2 1 84 ILE HB . . 5.110 4.949 4.935 4.972 . 0 0 "[ . 1 . 2]" 1 627 1 82 LEU HB2 1 82 LEU MD2 . . 3.150 2.365 2.344 2.419 . 0 0 "[ . 1 . 2]" 1 628 1 82 LEU MD1 1 83 GLY H . . 4.450 2.115 2.100 2.122 . 0 0 "[ . 1 . 2]" 1 629 1 82 LEU H 1 82 LEU MD1 . . 3.750 1.950 1.929 2.017 . 0 0 "[ . 1 . 2]" 1 630 1 79 TRP HA 1 82 LEU MD1 . . 3.700 1.864 1.852 1.883 . 0 0 "[ . 1 . 2]" 1 631 1 21 ARG QD 1 82 LEU MD1 . . 3.920 3.814 3.714 3.924 0.004 17 0 "[ . 1 . 2]" 1 632 1 82 LEU HB2 1 82 LEU MD1 . . 3.150 2.240 2.237 2.247 . 0 0 "[ . 1 . 2]" 1 633 1 82 LEU HB2 1 83 GLY HA3 . . 4.600 4.581 4.566 4.594 . 0 0 "[ . 1 . 2]" 1 634 1 82 LEU H 1 83 GLY HA3 . . 4.830 4.734 4.730 4.738 . 0 0 "[ . 1 . 2]" 1 635 1 79 TRP HA 1 84 ILE MD . . 4.110 4.169 4.157 4.186 0.076 7 0 "[ . 1 . 2]" 1 636 1 84 ILE HA 1 84 ILE MD . . 3.560 2.219 2.199 2.230 . 0 0 "[ . 1 . 2]" 1 637 1 79 TRP HE3 1 84 ILE MD . . 3.650 3.501 3.343 3.605 . 0 0 "[ . 1 . 2]" 1 638 1 79 TRP HZ3 1 84 ILE MD . . 4.190 3.938 3.670 4.148 . 0 0 "[ . 1 . 2]" 1 639 1 84 ILE H 1 84 ILE MD . . 3.880 2.589 2.554 2.631 . 0 0 "[ . 1 . 2]" 1 640 1 82 LEU HB2 1 84 ILE MD . . 3.120 2.364 2.279 2.447 . 0 0 "[ . 1 . 2]" 1 641 1 84 ILE HB 1 84 ILE MD . . 3.540 2.464 2.458 2.476 . 0 0 "[ . 1 . 2]" 1 642 1 84 ILE MD 1 84 ILE MG . . 3.220 3.248 3.244 3.250 0.030 8 0 "[ . 1 . 2]" 1 643 1 26 ILE MD 1 27 ASN HB2 . . 5.400 5.366 5.364 5.368 . 0 0 "[ . 1 . 2]" 1 644 1 26 ILE MD 1 50 SER HA . . 4.320 4.177 4.128 4.255 . 0 0 "[ . 1 . 2]" 1 645 1 26 ILE MD 1 51 GLU HA . . 2.970 2.344 2.267 2.426 . 0 0 "[ . 1 . 2]" 1 646 1 26 ILE MD 1 51 GLU QB . . 3.120 2.126 2.096 2.150 . 0 0 "[ . 1 . 2]" 1 647 1 26 ILE HB 1 26 ILE MD . . 2.870 2.396 2.393 2.399 . 0 0 "[ . 1 . 2]" 1 648 1 26 ILE MD 1 27 ASN HD21 . . 4.490 4.548 4.544 4.552 0.062 13 0 "[ . 1 . 2]" 1 649 1 26 ILE H 1 26 ILE MD . . 4.210 4.087 4.084 4.093 . 0 0 "[ . 1 . 2]" 1 650 1 26 ILE MD 1 27 ASN H . . 4.730 4.710 4.704 4.717 . 0 0 "[ . 1 . 2]" 1 651 1 84 ILE MG 1 113 PRO HB2 . . 4.200 4.100 2.676 4.211 0.011 10 0 "[ . 1 . 2]" 1 652 1 84 ILE HA 1 84 ILE MG . . 3.370 2.769 2.733 2.792 . 0 0 "[ . 1 . 2]" 1 653 1 84 ILE MG 1 85 SER HB2 . . 4.510 3.999 3.945 4.041 . 0 0 "[ . 1 . 2]" 1 654 1 84 ILE MG 1 85 SER HB3 . . 4.510 3.420 3.373 3.457 . 0 0 "[ . 1 . 2]" 1 655 1 79 TRP HB3 1 84 ILE MG . . 4.470 2.398 2.275 2.504 . 0 0 "[ . 1 . 2]" 1 656 1 79 TRP HB2 1 84 ILE MG . . 4.470 3.836 3.698 3.952 . 0 0 "[ . 1 . 2]" 1 657 1 84 ILE HG12 1 84 ILE MG . . 3.530 2.410 2.403 2.428 . 0 0 "[ . 1 . 2]" 1 658 1 84 ILE HG13 1 84 ILE MG . . 3.290 2.350 2.337 2.356 . 0 0 "[ . 1 . 2]" 1 659 1 79 TRP HE3 1 84 ILE MG . . 3.990 2.618 2.597 2.728 . 0 0 "[ . 1 . 2]" 1 660 1 79 TRP HZ3 1 84 ILE MG . . 4.550 3.264 3.181 3.429 . 0 0 "[ . 1 . 2]" 1 661 1 79 TRP HZ2 1 84 ILE MG . . 5.280 4.569 4.444 4.629 . 0 0 "[ . 1 . 2]" 1 662 1 84 ILE MG 1 114 TYR QD . . 5.500 4.756 4.550 4.923 . 0 0 "[ . 1 . 2]" 1 663 1 77 SER QB 1 79 TRP H . . 4.840 4.634 4.329 4.690 . 0 0 "[ . 1 . 2]" 1 664 1 100 SER QB 1 101 GLY H . . 4.910 2.791 1.954 4.019 . 0 0 "[ . 1 . 2]" 1 665 1 84 ILE HG13 1 85 SER HB3 . . 5.500 5.344 5.239 5.484 . 0 0 "[ . 1 . 2]" 1 666 1 87 MET H 1 87 MET ME . . 5.060 4.869 4.371 5.045 . 0 0 "[ . 1 . 2]" 1 667 1 87 MET ME 1 114 TYR QD . . 4.270 2.777 2.046 3.361 . 0 0 "[ . 1 . 2]" 1 668 1 87 MET ME 1 114 TYR QE . . 4.720 3.197 1.962 4.299 . 0 0 "[ . 1 . 2]" 1 669 1 87 MET ME 1 114 TYR HA . . 3.920 3.400 2.272 3.905 . 0 0 "[ . 1 . 2]" 1 670 1 87 MET HA 1 87 MET ME . . 4.740 4.154 3.786 4.579 . 0 0 "[ . 1 . 2]" 1 671 1 17 LEU HA 1 110 MET ME . . 4.660 4.504 4.316 4.622 . 0 0 "[ . 1 . 2]" 1 672 1 19 ALA HA 1 110 MET ME . . 3.230 2.014 1.967 2.242 . 0 0 "[ . 1 . 2]" 1 673 1 22 GLY HA2 1 110 MET ME . . 4.130 2.620 2.390 2.830 . 0 0 "[ . 1 . 2]" 1 674 1 22 GLY HA3 1 110 MET ME . . 4.770 4.036 3.831 4.199 . 0 0 "[ . 1 . 2]" 1 675 1 110 MET ME 1 110 MET HG2 . . 2.930 2.071 1.986 2.235 . 0 0 "[ . 1 . 2]" 1 676 1 17 LEU HB2 1 110 MET ME . . 3.450 3.426 3.339 3.458 0.008 17 0 "[ . 1 . 2]" 1 677 1 19 ALA MB 1 110 MET ME . . 3.120 3.097 2.948 3.132 0.012 20 0 "[ . 1 . 2]" 1 678 1 17 LEU HB3 1 110 MET ME . . 3.190 2.203 2.109 2.342 . 0 0 "[ . 1 . 2]" 1 679 1 19 ALA H 1 110 MET ME . . 4.360 3.742 3.471 3.884 . 0 0 "[ . 1 . 2]" 1 680 1 18 ASP H 1 110 MET ME . . 3.820 3.606 3.362 3.744 . 0 0 "[ . 1 . 2]" 1 681 1 17 LEU H 1 110 MET ME . . 4.840 4.795 4.660 4.855 0.015 19 0 "[ . 1 . 2]" 1 682 1 22 GLY H 1 110 MET ME . . 4.390 3.711 3.475 3.895 . 0 0 "[ . 1 . 2]" 1 683 1 19 ALA MB 1 112 SER HA . . 3.780 3.110 2.846 3.338 . 0 0 "[ . 1 . 2]" 1 684 1 20 VAL MG2 1 112 SER HA . . 3.480 2.553 2.365 2.761 . 0 0 "[ . 1 . 2]" 1 685 1 12 LEU HA 1 12 LEU MD2 . . 3.970 3.210 2.129 3.943 . 0 0 "[ . 1 . 2]" 1 686 1 12 LEU HA 1 12 LEU MD1 . . 3.970 3.061 2.021 4.079 0.109 15 0 "[ . 1 . 2]" 1 687 1 110 MET HA 1 110 MET ME . . 3.670 3.432 3.282 3.578 . 0 0 "[ . 1 . 2]" 1 688 1 15 LYS HA 1 54 GLU H . . 4.750 4.753 4.701 4.774 0.024 16 0 "[ . 1 . 2]" 1 689 1 13 MET HA 1 14 VAL MG2 . . 4.050 3.552 3.410 3.686 . 0 0 "[ . 1 . 2]" 1 690 1 126 LYS QE 1 127 GLU HA . . 4.450 4.129 2.783 4.455 0.005 16 0 "[ . 1 . 2]" 1 691 1 24 PRO HB3 1 25 ALA H . . 4.240 3.921 3.883 4.022 . 0 0 "[ . 1 . 2]" 1 692 1 126 LYS H 1 126 LYS HB2 . . 3.630 3.589 3.561 3.636 0.006 15 0 "[ . 1 . 2]" 1 693 1 118 THR HB 1 119 MET HA . . 4.330 4.208 4.068 4.273 . 0 0 "[ . 1 . 2]" 1 694 1 119 MET HA 1 119 MET ME . . 4.330 4.181 3.850 4.360 0.030 19 0 "[ . 1 . 2]" 1 695 1 31 HIS HB3 1 32 VAL MG2 . . 5.300 4.777 4.750 4.807 . 0 0 "[ . 1 . 2]" 1 696 1 73 ILE H 1 90 HIS HB2 . . 5.210 3.612 3.391 3.909 . 0 0 "[ . 1 . 2]" 1 697 1 74 ASP HA 1 90 HIS HB2 . . 4.680 3.230 2.929 3.485 . 0 0 "[ . 1 . 2]" 1 698 1 90 HIS HB2 1 91 ALA MB . . 5.080 4.340 4.241 4.479 . 0 0 "[ . 1 . 2]" 1 699 1 75 THR MG 1 90 HIS HB2 . . 5.110 4.625 4.462 4.798 . 0 0 "[ . 1 . 2]" 1 700 1 75 THR MG 1 90 HIS HB3 . . 4.880 4.818 4.659 4.884 0.004 15 0 "[ . 1 . 2]" 1 701 1 74 ASP HA 1 90 HIS HA . . 4.260 3.159 2.797 3.419 . 0 0 "[ . 1 . 2]" 1 702 1 90 HIS HA 1 91 ALA HA . . 4.550 4.394 4.364 4.420 . 0 0 "[ . 1 . 2]" 1 703 1 90 HIS HA 1 91 ALA MB . . 4.620 3.898 3.848 3.941 . 0 0 "[ . 1 . 2]" 1 704 1 73 ILE MG 1 90 HIS HB2 . . 5.500 5.159 4.985 5.404 . 0 0 "[ . 1 . 2]" 1 705 1 90 HIS HB3 1 91 ALA H . . 4.070 3.620 3.554 3.783 . 0 0 "[ . 1 . 2]" 1 706 1 75 THR H 1 90 HIS HB2 . . 4.610 4.230 4.042 4.392 . 0 0 "[ . 1 . 2]" 1 707 1 73 ILE HB 1 91 ALA MB . . 3.490 2.513 2.248 2.982 . 0 0 "[ . 1 . 2]" 1 708 1 73 ILE MD 1 91 ALA MB . . 3.550 3.081 2.833 3.410 . 0 0 "[ . 1 . 2]" 1 709 1 74 ASP HA 1 91 ALA MB . . 5.500 5.348 5.249 5.476 . 0 0 "[ . 1 . 2]" 1 710 1 91 ALA H 1 91 ALA MB . . 3.560 2.283 2.199 2.345 . 0 0 "[ . 1 . 2]" 1 711 1 73 ILE H 1 92 GLU HA . . 4.460 3.507 3.388 3.561 . 0 0 "[ . 1 . 2]" 1 712 1 72 GLU HA 1 92 GLU HA . . 3.860 2.366 2.270 2.452 . 0 0 "[ . 1 . 2]" 1 713 1 91 ALA HA 1 92 GLU HA . . 5.100 4.394 4.393 4.395 . 0 0 "[ . 1 . 2]" 1 714 1 91 ALA MB 1 92 GLU HA . . 4.910 4.117 4.082 4.168 . 0 0 "[ . 1 . 2]" 1 715 1 73 ILE HG13 1 92 GLU HA . . 4.700 4.565 4.285 4.701 0.001 20 0 "[ . 1 . 2]" 1 716 1 92 GLU HA 1 93 VAL MG2 . . 4.250 3.655 3.581 3.718 . 0 0 "[ . 1 . 2]" 1 717 1 71 VAL MG1 1 92 GLU HA . . 4.540 4.515 4.444 4.544 0.004 17 0 "[ . 1 . 2]" 1 718 1 70 LYS HD2 1 92 GLU HA . . 5.500 5.134 4.823 5.407 . 0 0 "[ . 1 . 2]" 1 719 1 93 VAL HB 1 119 MET ME . . 4.210 2.468 2.311 2.713 . 0 0 "[ . 1 . 2]" 1 720 1 72 GLU HA 1 92 GLU HG3 . . 4.690 4.179 3.205 4.700 0.010 18 0 "[ . 1 . 2]" 1 721 1 93 VAL HA 1 94 VAL HA . . 4.710 4.386 4.377 4.395 . 0 0 "[ . 1 . 2]" 1 722 1 32 VAL MG2 1 72 GLU H . . 4.460 4.035 3.900 4.179 . 0 0 "[ . 1 . 2]" 1 723 1 41 TRP HH2 1 94 VAL MG2 . . 3.490 3.219 3.097 3.404 . 0 0 "[ . 1 . 2]" 1 724 1 41 TRP HZ3 1 94 VAL MG2 . . 4.580 4.525 4.309 4.586 0.006 9 0 "[ . 1 . 2]" 1 725 1 32 VAL MG2 1 44 PHE QR . . 3.790 3.602 3.431 3.782 . 0 0 "[ . 1 . 2]" 1 726 1 96 THR MG 1 97 ALA H . . 3.660 2.320 1.933 2.881 . 0 0 "[ . 1 . 2]" 1 727 1 20 VAL MG2 1 21 ARG H . . 4.270 3.945 3.862 3.989 . 0 0 "[ . 1 . 2]" 1 728 1 20 VAL MG2 1 79 TRP HH2 . . 3.970 3.178 2.886 3.455 . 0 0 "[ . 1 . 2]" 1 729 1 20 VAL MG2 1 79 TRP HZ3 . . 4.820 4.145 3.879 4.366 . 0 0 "[ . 1 . 2]" 1 730 1 20 VAL MG2 1 114 TYR QE . . 4.250 2.519 1.907 3.189 . 0 0 "[ . 1 . 2]" 1 731 1 20 VAL HA 1 20 VAL MG2 . . 2.850 2.346 2.282 2.390 . 0 0 "[ . 1 . 2]" 1 732 1 20 VAL MG1 1 21 ARG HG2 . . 3.810 3.081 2.968 3.143 . 0 0 "[ . 1 . 2]" 1 733 1 32 VAL HB 1 71 VAL MG2 . . 4.370 4.327 4.199 4.377 0.007 19 0 "[ . 1 . 2]" 1 734 1 69 TYR HB3 1 71 VAL MG2 . . 4.570 3.701 3.562 3.840 . 0 0 "[ . 1 . 2]" 1 735 1 39 ASP QB 1 40 THR MG . . 3.620 3.511 3.458 3.623 0.003 7 0 "[ . 1 . 2]" 1 736 1 95 PHE QB 1 121 VAL MG2 . . 5.000 4.697 4.302 5.004 0.004 17 0 "[ . 1 . 2]" 1 737 1 95 PHE HA 1 96 THR HB . . 5.000 4.719 4.621 4.917 . 0 0 "[ . 1 . 2]" 1 738 1 93 VAL MG1 1 95 PHE QB . . 4.490 4.484 4.456 4.501 0.011 17 0 "[ . 1 . 2]" 1 739 1 96 THR MG 1 97 ALA HA . . 4.510 3.938 3.729 4.250 . 0 0 "[ . 1 . 2]" 1 740 1 17 LEU MD2 1 23 SER HA . . 4.900 2.762 2.432 3.022 . 0 0 "[ . 1 . 2]" 1 741 1 17 LEU HA 1 17 LEU MD1 . . 3.670 3.268 3.085 3.525 . 0 0 "[ . 1 . 2]" 1 742 1 17 LEU HA 1 17 LEU MD2 . . 3.670 3.263 2.979 3.437 . 0 0 "[ . 1 . 2]" 1 743 1 17 LEU MD2 1 24 PRO HD3 . . 4.440 2.896 2.524 3.111 . 0 0 "[ . 1 . 2]" 1 744 1 35 LYS QE 1 41 TRP H . . 5.500 5.436 5.279 5.625 0.125 17 0 "[ . 1 . 2]" 1 745 1 101 GLY HA3 1 102 PRO QD . . 3.420 2.237 2.032 2.414 . 0 0 "[ . 1 . 2]" 1 746 1 100 SER HA 1 101 GLY HA3 . . 5.230 4.449 4.320 4.643 . 0 0 "[ . 1 . 2]" 1 747 1 100 SER HA 1 101 GLY HA2 . . 5.230 4.767 4.308 5.277 0.047 7 0 "[ . 1 . 2]" 1 748 1 101 GLY H 1 102 PRO QD . . 4.840 4.275 4.156 4.365 . 0 0 "[ . 1 . 2]" 1 749 1 124 ASN HB3 1 125 PRO HD3 . . 4.640 3.728 3.327 3.985 . 0 0 "[ . 1 . 2]" 1 750 1 15 LYS H 1 15 LYS QE . . 4.860 4.793 4.549 4.862 0.002 6 0 "[ . 1 . 2]" 1 751 1 105 TYR HB3 1 107 ILE MD . . 5.100 4.083 3.535 5.094 . 0 0 "[ . 1 . 2]" 1 752 1 13 MET H 1 106 THR HA . . 4.180 2.771 2.251 3.260 . 0 0 "[ . 1 . 2]" 1 753 1 106 THR HA 1 107 ILE MD . . 4.580 4.109 3.891 4.313 . 0 0 "[ . 1 . 2]" 1 754 1 13 MET QB 1 106 THR HB . . 4.200 3.771 3.575 4.150 . 0 0 "[ . 1 . 2]" 1 755 1 106 THR HB 1 108 ALA MB . . 5.480 4.971 4.608 5.222 . 0 0 "[ . 1 . 2]" 1 756 1 106 THR H 1 106 THR HB . . 4.060 2.628 2.482 2.740 . 0 0 "[ . 1 . 2]" 1 757 1 13 MET QB 1 106 THR MG . . 3.100 1.981 1.937 2.377 . 0 0 "[ . 1 . 2]" 1 758 1 15 LYS QD 1 106 THR MG . . 3.850 3.799 3.680 3.853 0.003 12 0 "[ . 1 . 2]" 1 759 1 106 THR HA 1 106 THR MG . . 3.120 2.351 2.321 2.392 . 0 0 "[ . 1 . 2]" 1 760 1 122 VAL H 1 123 THR MG . . 4.670 4.426 3.809 4.675 0.005 12 0 "[ . 1 . 2]" 1 761 1 15 LYS H 1 106 THR MG . . 3.580 3.427 3.216 3.604 0.024 2 0 "[ . 1 . 2]" 1 762 1 106 THR MG 1 107 ILE H . . 3.370 2.235 2.037 2.422 . 0 0 "[ . 1 . 2]" 1 763 1 107 ILE HG13 1 119 MET ME . . 4.860 4.709 4.212 4.862 0.002 8 0 "[ . 1 . 2]" 1 764 1 15 LYS H 1 107 ILE HG12 . . 5.500 5.414 5.096 5.521 0.021 19 0 "[ . 1 . 2]" 1 765 1 106 THR H 1 107 ILE HG12 . . 5.500 5.138 4.781 5.441 . 0 0 "[ . 1 . 2]" 1 766 1 14 VAL HA 1 108 ALA HA . . 5.500 5.350 5.064 5.501 0.001 13 0 "[ . 1 . 2]" 1 767 1 107 ILE HA 1 108 ALA HA . . 5.100 4.399 4.387 4.426 . 0 0 "[ . 1 . 2]" 1 768 1 109 ALA HA 1 110 MET HG2 . . 4.980 4.988 4.860 5.010 0.030 2 0 "[ . 1 . 2]" 1 769 1 109 ALA HA 1 110 MET HB2 . . 4.710 4.313 4.278 4.360 . 0 0 "[ . 1 . 2]" 1 770 1 109 ALA HA 1 110 MET HG3 . . 5.050 4.459 4.338 4.562 . 0 0 "[ . 1 . 2]" 1 771 1 109 ALA HA 1 119 MET HB2 . . 4.600 4.314 3.804 4.599 . 0 0 "[ . 1 . 2]" 1 772 1 107 ILE MG 1 109 ALA HA . . 4.430 4.307 3.948 4.438 0.008 16 0 "[ . 1 . 2]" 1 773 1 12 LEU HA 1 13 MET HA . . 4.930 4.398 4.383 4.414 . 0 0 "[ . 1 . 2]" 1 774 1 18 ASP HA 1 110 MET HA . . 5.090 3.982 3.862 4.074 . 0 0 "[ . 1 . 2]" 1 775 1 109 ALA HA 1 110 MET HA . . 4.770 4.390 4.381 4.408 . 0 0 "[ . 1 . 2]" 1 776 1 13 MET ME 1 55 LEU H . . 3.880 3.300 2.485 3.882 0.002 16 0 "[ . 1 . 2]" 1 777 1 119 MET ME 1 120 ALA H . . 5.270 4.442 4.157 5.003 . 0 0 "[ . 1 . 2]" 1 778 1 93 VAL H 1 119 MET ME . . 4.570 4.540 4.457 4.574 0.004 4 0 "[ . 1 . 2]" 1 779 1 94 VAL H 1 119 MET ME . . 5.500 5.472 5.269 5.511 0.011 19 0 "[ . 1 . 2]" 1 780 1 109 ALA HA 1 119 MET ME . . 4.330 4.202 3.513 4.333 0.003 2 0 "[ . 1 . 2]" 1 781 1 93 VAL HA 1 119 MET ME . . 4.900 4.616 4.472 4.711 . 0 0 "[ . 1 . 2]" 1 782 1 19 ALA H 1 110 MET HB3 . . 5.280 3.588 3.465 3.762 . 0 0 "[ . 1 . 2]" 1 783 1 110 MET HB3 1 111 LEU H . . 5.500 2.969 2.872 3.169 . 0 0 "[ . 1 . 2]" 1 784 1 13 MET HA 1 13 MET HG2 . . 3.870 2.448 2.112 2.613 . 0 0 "[ . 1 . 2]" 1 785 1 110 MET HG2 1 111 LEU H . . 4.230 3.876 3.819 4.025 . 0 0 "[ . 1 . 2]" 1 786 1 110 MET H 1 110 MET HG2 . . 3.910 3.855 3.770 3.911 0.001 9 0 "[ . 1 . 2]" 1 787 1 110 MET HA 1 110 MET HG2 . . 3.680 2.192 2.168 2.218 . 0 0 "[ . 1 . 2]" 1 788 1 17 LEU HB2 1 110 MET HG2 . . 3.880 3.174 3.129 3.218 . 0 0 "[ . 1 . 2]" 1 789 1 109 ALA H 1 110 MET HG3 . . 5.450 5.441 5.280 5.480 0.030 19 0 "[ . 1 . 2]" 1 790 1 25 ALA MB 1 111 LEU MD2 . . 3.400 3.024 2.990 3.053 . 0 0 "[ . 1 . 2]" 1 791 1 16 VAL HB 1 111 LEU MD2 . . 4.800 4.759 4.594 4.810 0.010 10 0 "[ . 1 . 2]" 1 792 1 75 THR HA 1 111 LEU MD2 . . 4.370 2.844 2.630 3.084 . 0 0 "[ . 1 . 2]" 1 793 1 111 LEU HA 1 111 LEU MD2 . . 4.040 3.803 3.800 3.808 . 0 0 "[ . 1 . 2]" 1 794 1 75 THR HB 1 111 LEU MD2 . . 4.240 2.004 1.959 2.197 . 0 0 "[ . 1 . 2]" 1 795 1 79 TRP HH2 1 111 LEU MD2 . . 4.660 4.353 4.216 4.473 . 0 0 "[ . 1 . 2]" 1 796 1 79 TRP H 1 111 LEU MD2 . . 5.500 5.160 4.971 5.339 . 0 0 "[ . 1 . 2]" 1 797 1 75 THR H 1 111 LEU MD2 . . 4.930 4.322 4.189 4.460 . 0 0 "[ . 1 . 2]" 1 798 1 18 ASP H 1 111 LEU MD2 . . 5.500 5.152 5.049 5.218 . 0 0 "[ . 1 . 2]" 1 799 1 111 LEU MD2 1 112 SER H . . 5.470 5.079 4.841 5.217 . 0 0 "[ . 1 . 2]" 1 800 1 110 MET HB2 1 111 LEU MD1 . . 5.220 5.102 5.011 5.167 . 0 0 "[ . 1 . 2]" 1 801 1 109 ALA HA 1 111 LEU MD1 . . 5.190 5.117 5.000 5.193 0.003 11 0 "[ . 1 . 2]" 1 802 1 79 TRP HE1 1 111 LEU MD1 . . 5.500 5.069 4.942 5.253 . 0 0 "[ . 1 . 2]" 1 803 1 95 PHE QE 1 121 VAL MG2 . . 5.060 2.059 1.916 2.344 . 0 0 "[ . 1 . 2]" 1 804 1 112 SER HB2 1 114 TYR QD . . 5.500 5.410 4.485 5.523 0.023 13 0 "[ . 1 . 2]" 1 805 1 112 SER HB3 1 114 TYR QD . . 5.500 5.421 5.158 5.535 0.035 16 0 "[ . 1 . 2]" 1 806 1 19 ALA MB 1 112 SER HB2 . . 4.420 2.979 1.891 4.018 . 0 0 "[ . 1 . 2]" 1 807 1 19 ALA MB 1 112 SER HB3 . . 4.420 2.421 1.883 3.371 . 0 0 "[ . 1 . 2]" 1 808 1 20 VAL MG2 1 112 SER HB3 . . 4.450 3.638 3.054 4.454 0.004 13 0 "[ . 1 . 2]" 1 809 1 14 VAL HA 1 107 ILE HB . . 4.140 2.732 2.435 3.075 . 0 0 "[ . 1 . 2]" 1 810 1 118 THR HB 1 119 MET HB2 . . 5.500 5.454 5.344 5.501 0.001 4 0 "[ . 1 . 2]" 1 811 1 109 ALA MB 1 119 MET ME . . 2.920 2.362 1.989 2.504 . 0 0 "[ . 1 . 2]" 1 812 1 93 VAL MG1 1 119 MET ME . . 3.170 2.380 2.108 2.525 . 0 0 "[ . 1 . 2]" 1 813 1 93 VAL MG2 1 119 MET ME . . 2.850 1.939 1.803 2.039 . 0 0 "[ . 1 . 2]" 1 814 1 107 ILE MG 1 119 MET ME . . 2.880 2.474 1.973 2.784 . 0 0 "[ . 1 . 2]" 1 815 1 73 ILE MD 1 119 MET ME . . 3.120 2.911 2.491 3.119 . 0 0 "[ . 1 . 2]" 1 816 1 107 ILE MD 1 120 ALA MB . . 4.650 4.479 4.290 4.660 0.010 19 0 "[ . 1 . 2]" 1 817 1 109 ALA HA 1 120 ALA MB . . 4.760 4.347 4.069 4.678 . 0 0 "[ . 1 . 2]" 1 818 1 108 ALA HA 1 120 ALA MB . . 4.560 4.386 4.186 4.554 . 0 0 "[ . 1 . 2]" 1 819 1 120 ALA MB 1 121 VAL HA . . 4.630 4.126 4.048 4.266 . 0 0 "[ . 1 . 2]" 1 820 1 122 VAL HA 1 122 VAL MG2 . . 3.080 2.406 2.339 2.472 . 0 0 "[ . 1 . 2]" 1 821 1 31 HIS HB3 1 72 GLU HB2 . . 4.960 4.258 4.063 4.456 . 0 0 "[ . 1 . 2]" 1 822 1 121 VAL H 1 121 VAL MG1 . . 4.260 3.872 3.819 3.910 . 0 0 "[ . 1 . 2]" 1 823 1 95 PHE QD 1 121 VAL MG1 . . 4.670 2.224 1.886 2.553 . 0 0 "[ . 1 . 2]" 1 824 1 30 VAL MG1 1 72 GLU H . . 4.550 3.321 3.064 3.489 . 0 0 "[ . 1 . 2]" 1 825 1 95 PHE HA 1 121 VAL MG1 . . 4.620 4.259 3.409 4.621 0.001 19 0 "[ . 1 . 2]" 1 826 1 30 VAL MG1 1 32 VAL HA . . 4.840 4.575 4.501 4.619 . 0 0 "[ . 1 . 2]" 1 827 1 24 PRO HB2 1 25 ALA H . . 3.990 3.413 3.354 3.566 . 0 0 "[ . 1 . 2]" 1 828 1 125 PRO HB2 1 126 LYS H . . 4.290 3.980 3.785 4.234 . 0 0 "[ . 1 . 2]" 1 829 1 125 PRO HB2 1 126 LYS HA . . 5.160 4.899 4.433 5.104 . 0 0 "[ . 1 . 2]" 1 830 1 126 LYS HA 1 126 LYS QG . . 3.590 3.420 3.386 3.435 . 0 0 "[ . 1 . 2]" 1 831 1 126 LYS QD 1 127 GLU QG . . 3.750 2.736 1.950 3.737 . 0 0 "[ . 1 . 2]" 1 832 1 108 ALA H 1 121 VAL HA . . 4.660 4.552 4.260 4.663 0.003 16 0 "[ . 1 . 2]" 1 833 1 125 PRO HD2 1 126 LYS H . . 5.500 5.306 4.950 5.482 . 0 0 "[ . 1 . 2]" 1 834 1 125 PRO HD3 1 126 LYS H . . 5.500 5.387 5.164 5.498 . 0 0 "[ . 1 . 2]" 1 835 1 23 SER H 1 24 PRO HD2 . . 5.130 4.787 4.784 4.790 . 0 0 "[ . 1 . 2]" 1 836 1 23 SER H 1 24 PRO HD3 . . 5.220 4.985 4.962 5.000 . 0 0 "[ . 1 . 2]" 1 837 1 18 ASP H 1 21 ARG HB2 . . 5.130 4.542 4.420 4.619 . 0 0 "[ . 1 . 2]" 1 838 1 20 VAL H 1 21 ARG HB2 . . 5.500 4.860 4.791 4.934 . 0 0 "[ . 1 . 2]" 1 839 1 20 VAL MG1 1 21 ARG HB2 . . 4.910 4.940 4.888 4.958 0.048 13 0 "[ . 1 . 2]" 1 840 1 24 PRO HB3 1 25 ALA MB . . 5.500 5.498 5.478 5.530 0.030 13 0 "[ . 1 . 2]" 1 841 1 17 LEU HA 1 24 PRO HA . . 3.400 1.959 1.950 1.972 . 0 0 "[ . 1 . 2]" 1 842 1 20 VAL H 1 21 ARG HG2 . . 5.330 5.210 5.123 5.309 . 0 0 "[ . 1 . 2]" 1 843 1 21 ARG HG2 1 23 SER H . . 5.500 5.501 5.456 5.520 0.020 18 0 "[ . 1 . 2]" 1 844 1 124 ASN HB3 1 125 PRO HD2 . . 4.640 2.544 1.963 2.965 . 0 0 "[ . 1 . 2]" 1 845 1 17 LEU MD1 1 24 PRO HD3 . . 4.440 3.859 3.736 4.021 . 0 0 "[ . 1 . 2]" 1 846 1 24 PRO HB2 1 53 GLY HA3 . . 3.450 2.395 2.151 2.627 . 0 0 "[ . 1 . 2]" 1 847 1 24 PRO HB2 1 53 GLY HA2 . . 3.400 2.908 2.712 3.000 . 0 0 "[ . 1 . 2]" 1 848 1 124 ASN HA 1 125 PRO HB3 . . 5.120 4.862 4.846 4.872 . 0 0 "[ . 1 . 2]" 1 849 1 42 GLU HB3 1 43 PRO HD2 . . 3.730 2.062 2.014 2.242 . 0 0 "[ . 1 . 2]" 1 850 1 24 PRO HB2 1 54 GLU H . . 4.960 4.761 4.638 4.916 . 0 0 "[ . 1 . 2]" 1 851 1 33 PHE HA 1 43 PRO HB3 . . 5.500 5.352 5.313 5.407 . 0 0 "[ . 1 . 2]" 1 852 1 18 ASP HB2 1 21 ARG HB3 . . 5.090 5.033 4.904 5.112 0.022 20 0 "[ . 1 . 2]" 1 853 1 13 MET HA 1 13 MET ME . . 4.280 4.226 3.154 4.336 0.056 2 0 "[ . 1 . 2]" 1 854 1 13 MET ME 1 56 HIS HD2 . . 4.440 4.266 3.428 4.448 0.008 14 0 "[ . 1 . 2]" 1 855 1 13 MET ME 1 54 GLU H . . 5.100 4.333 4.048 4.594 . 0 0 "[ . 1 . 2]" 1 856 1 13 MET ME 1 54 GLU HA . . 3.730 2.576 1.974 3.050 . 0 0 "[ . 1 . 2]" 1 857 1 13 MET ME 1 15 LYS HA . . 3.790 3.304 2.668 3.489 . 0 0 "[ . 1 . 2]" 1 858 1 13 MET ME 1 15 LYS QE . . 3.350 2.034 1.890 2.482 . 0 0 "[ . 1 . 2]" 1 859 1 13 MET ME 1 13 MET HG3 . . 3.440 2.734 2.118 3.310 . 0 0 "[ . 1 . 2]" 1 860 1 13 MET ME 1 13 MET HG2 . . 3.440 2.505 1.985 3.316 . 0 0 "[ . 1 . 2]" 1 861 1 13 MET ME 1 15 LYS QD . . 2.980 2.150 1.901 2.417 . 0 0 "[ . 1 . 2]" 1 862 1 13 MET ME 1 106 THR MG . . 2.780 1.936 1.806 2.791 0.011 2 0 "[ . 1 . 2]" 1 863 1 13 MET HA 1 13 MET HG3 . . 3.870 3.075 2.661 3.594 . 0 0 "[ . 1 . 2]" 1 864 1 14 VAL HA 1 15 LYS HB2 . . 4.910 4.456 4.376 4.533 . 0 0 "[ . 1 . 2]" 1 865 1 13 MET HA 1 14 VAL HB . . 4.920 4.692 4.653 4.740 . 0 0 "[ . 1 . 2]" 1 866 1 33 PHE QD 1 70 LYS HB2 . . 5.500 5.398 5.302 5.516 0.016 9 0 "[ . 1 . 2]" 1 867 1 70 LYS HB2 1 95 PHE H . . 5.230 4.847 4.693 4.961 . 0 0 "[ . 1 . 2]" 1 868 1 33 PHE QD 1 70 LYS HB3 . . 4.990 3.783 3.688 3.902 . 0 0 "[ . 1 . 2]" 1 869 1 33 PHE HB3 1 70 LYS HB2 . . 5.500 5.219 5.061 5.536 0.036 9 0 "[ . 1 . 2]" 1 870 1 33 PHE HB2 1 70 LYS HB2 . . 5.490 3.968 3.825 4.233 . 0 0 "[ . 1 . 2]" 1 871 1 41 TRP HB3 1 70 LYS HB2 . . 5.500 4.319 4.188 4.739 . 0 0 "[ . 1 . 2]" 1 872 1 32 VAL HA 1 70 LYS HB3 . . 5.170 5.175 5.152 5.205 0.035 9 0 "[ . 1 . 2]" 1 873 1 70 LYS HB3 1 70 LYS HE2 . . 5.180 2.367 2.015 3.484 . 0 0 "[ . 1 . 2]" 1 874 1 15 LYS H 1 15 LYS QD . . 5.010 4.415 4.211 4.661 . 0 0 "[ . 1 . 2]" 1 875 1 9 LYS HA 1 9 LYS QE . . 4.650 3.862 1.995 4.629 . 0 0 "[ . 1 . 2]" 1 876 1 124 ASN HA 1 125 PRO HD2 . . 3.530 2.479 2.402 2.517 . 0 0 "[ . 1 . 2]" 1 877 1 33 PHE QD 1 70 LYS HE2 . . 4.670 3.352 2.635 3.854 . 0 0 "[ . 1 . 2]" 1 878 1 70 LYS HE2 1 72 GLU HB2 . . 5.500 5.111 3.823 5.506 0.006 11 0 "[ . 1 . 2]" 1 879 1 33 PHE HB2 1 70 LYS HE2 . . 5.060 3.067 2.735 4.121 . 0 0 "[ . 1 . 2]" 1 880 1 70 LYS HA 1 70 LYS HE2 . . 5.500 4.893 4.531 5.673 0.173 9 0 "[ . 1 . 2]" 1 881 1 33 PHE QD 1 70 LYS HE3 . . 4.670 3.799 2.258 4.365 . 0 0 "[ . 1 . 2]" 1 882 1 70 LYS HA 1 70 LYS HE3 . . 5.500 5.001 4.290 5.502 0.002 5 0 "[ . 1 . 2]" 1 883 1 33 PHE HB2 1 70 LYS HE3 . . 5.060 4.046 1.996 4.757 . 0 0 "[ . 1 . 2]" 1 884 1 70 LYS HE3 1 72 GLU HB2 . . 5.500 4.462 4.088 4.853 . 0 0 "[ . 1 . 2]" 1 885 1 68 ILE HG12 1 96 THR HA . . 4.680 3.323 2.996 3.521 . 0 0 "[ . 1 . 2]" 1 886 1 126 LYS QE 1 126 LYS QG . . 2.630 2.231 1.986 2.383 . 0 0 "[ . 1 . 2]" 1 887 1 18 ASP HB2 1 25 ALA MB . . 4.540 3.444 3.378 3.476 . 0 0 "[ . 1 . 2]" 1 888 1 80 LYS HB2 1 80 LYS QE . . 3.220 2.606 2.416 2.827 . 0 0 "[ . 1 . 2]" 1 889 1 9 LYS HB2 1 9 LYS QE . . 3.930 3.001 1.979 3.909 . 0 0 "[ . 1 . 2]" 1 890 1 15 LYS HA 1 53 GLY HA2 . . 4.770 4.798 4.761 4.820 0.050 5 0 "[ . 1 . 2]" 1 891 1 107 ILE MG 1 121 VAL HA . . 4.120 2.838 2.335 3.268 . 0 0 "[ . 1 . 2]" 1 892 1 2 PRO HG2 1 3 THR HB . . 5.240 5.074 4.926 5.220 . 0 0 "[ . 1 . 2]" 1 893 1 2 PRO HB2 1 3 THR HB . . 5.380 5.302 5.117 5.462 0.082 20 0 "[ . 1 . 2]" 1 894 1 4 GLY QA 1 5 THR MG . . 3.770 3.482 3.104 3.770 . 0 0 "[ . 1 . 2]" 1 895 1 6 GLY HA2 1 7 GLU QG . . 5.500 4.633 4.001 5.489 . 0 0 "[ . 1 . 2]" 1 896 1 6 GLY HA3 1 7 GLU QG . . 5.500 4.948 4.144 5.490 . 0 0 "[ . 1 . 2]" 1 897 1 21 ARG HA 1 21 ARG QD . . 4.320 4.300 4.220 4.327 0.007 13 0 "[ . 1 . 2]" 1 898 1 20 VAL HB 1 21 ARG HA . . 4.740 4.541 4.447 4.600 . 0 0 "[ . 1 . 2]" 1 899 1 70 LYS HD3 1 72 GLU HG3 . . 5.470 5.058 4.315 5.299 . 0 0 "[ . 1 . 2]" 1 900 1 9 LYS HB3 1 9 LYS QE . . 3.930 2.867 1.984 3.688 . 0 0 "[ . 1 . 2]" 1 901 1 25 ALA MB 1 28 VAL HB . . 4.660 3.897 3.788 4.011 . 0 0 "[ . 1 . 2]" 1 902 1 45 ALA MB 1 58 LEU HB2 . . 3.960 3.398 3.352 3.454 . 0 0 "[ . 1 . 2]" 1 903 1 82 LEU H 1 82 LEU MD2 . . 3.750 3.688 3.684 3.695 . 0 0 "[ . 1 . 2]" 1 904 1 12 LEU H 1 12 LEU HG . . 4.980 4.518 3.330 4.990 0.010 18 0 "[ . 1 . 2]" 1 905 1 27 ASN HD21 1 48 LYS HD2 . . 5.410 5.386 5.258 5.412 0.002 17 0 "[ . 1 . 2]" 1 906 1 27 ASN HD21 1 48 LYS HD3 . . 5.250 4.830 4.730 4.906 . 0 0 "[ . 1 . 2]" 1 907 1 84 ILE H 1 84 ILE HG12 . . 4.190 4.238 4.199 4.269 0.079 16 0 "[ . 1 . 2]" 1 908 1 16 VAL HA 1 16 VAL MG1 . . 3.200 2.308 2.260 2.352 . 0 0 "[ . 1 . 2]" 1 909 1 16 VAL MG1 1 24 PRO HA . . 5.120 4.755 4.681 4.829 . 0 0 "[ . 1 . 2]" 1 910 1 16 VAL MG1 1 25 ALA MB . . 2.810 2.054 1.990 2.161 . 0 0 "[ . 1 . 2]" 1 911 1 17 LEU HA 1 17 LEU HG . . 3.720 2.153 2.137 2.176 . 0 0 "[ . 1 . 2]" 1 912 1 17 LEU HB3 1 110 MET HG2 . . 4.760 2.796 2.713 2.962 . 0 0 "[ . 1 . 2]" 1 913 1 17 LEU HB3 1 110 MET HB3 . . 4.960 4.849 4.736 4.922 . 0 0 "[ . 1 . 2]" 1 914 1 15 LYS QG 1 17 LEU HB3 . . 5.500 5.021 4.888 5.170 . 0 0 "[ . 1 . 2]" 1 915 1 17 LEU HB2 1 24 PRO HA . . 4.930 4.359 4.350 4.375 . 0 0 "[ . 1 . 2]" 1 916 1 79 TRP HE3 1 84 ILE HG12 . . 4.530 2.761 2.651 2.840 . 0 0 "[ . 1 . 2]" 1 917 1 18 ASP HA 1 111 LEU HB2 . . 4.550 2.230 2.154 2.326 . 0 0 "[ . 1 . 2]" 1 918 1 18 ASP HA 1 111 LEU MD2 . . 4.720 3.655 3.560 3.732 . 0 0 "[ . 1 . 2]" 1 919 1 29 ALA HA 1 47 GLY HA2 . . 5.320 5.317 5.176 5.347 0.027 9 0 "[ . 1 . 2]" 1 920 1 19 ALA MB 1 79 TRP HZ2 . . 5.500 5.528 5.510 5.574 0.074 16 0 "[ . 1 . 2]" 1 921 1 35 LYS QG 1 36 ALA MB . . 4.690 4.507 4.467 4.579 . 0 0 "[ . 1 . 2]" 1 922 1 20 VAL HA 1 21 ARG HG2 . . 5.500 5.522 5.447 5.553 0.053 14 0 "[ . 1 . 2]" 1 923 1 19 ALA HA 1 20 VAL HA . . 4.710 4.680 4.670 4.697 . 0 0 "[ . 1 . 2]" 1 924 1 20 VAL HB 1 21 ARG HB2 . . 5.150 4.924 4.866 4.965 . 0 0 "[ . 1 . 2]" 1 925 1 20 VAL MG2 1 112 SER HB2 . . 4.450 4.007 3.740 4.484 0.034 16 0 "[ . 1 . 2]" 1 926 1 94 VAL MG1 1 95 PHE HA . . 3.840 3.659 3.534 3.757 . 0 0 "[ . 1 . 2]" 1 927 1 20 VAL HB 1 21 ARG QD . . 4.720 4.441 4.300 4.590 . 0 0 "[ . 1 . 2]" 1 928 1 21 ARG HB3 1 21 ARG QD . . 3.050 2.840 2.588 2.978 . 0 0 "[ . 1 . 2]" 1 929 1 21 ARG QD 1 21 ARG HG2 . . 2.790 2.377 2.298 2.498 . 0 0 "[ . 1 . 2]" 1 930 1 21 ARG HB2 1 21 ARG QD . . 3.070 2.425 2.271 2.574 . 0 0 "[ . 1 . 2]" 1 931 1 20 VAL MG1 1 21 ARG QD . . 4.390 4.392 4.358 4.430 0.040 16 0 "[ . 1 . 2]" 1 932 1 21 ARG QD 1 82 LEU MD2 . . 3.920 2.070 1.991 2.234 . 0 0 "[ . 1 . 2]" 1 933 1 21 ARG QD 1 25 ALA MB . . 5.280 4.629 4.399 4.869 . 0 0 "[ . 1 . 2]" 1 934 1 21 ARG QD 1 84 ILE MD . . 4.650 4.282 4.001 4.574 . 0 0 "[ . 1 . 2]" 1 935 1 21 ARG HA 1 21 ARG HG3 . . 3.450 3.311 3.246 3.414 . 0 0 "[ . 1 . 2]" 1 936 1 20 VAL HB 1 21 ARG HG2 . . 4.370 3.810 3.663 3.932 . 0 0 "[ . 1 . 2]" 1 937 1 20 VAL HB 1 21 ARG HG3 . . 4.220 2.921 2.825 3.050 . 0 0 "[ . 1 . 2]" 1 938 1 20 VAL MG1 1 21 ARG HG3 . . 3.730 3.339 3.201 3.486 . 0 0 "[ . 1 . 2]" 1 939 1 17 LEU MD1 1 24 PRO HG3 . . 4.650 4.418 4.247 4.659 0.009 3 0 "[ . 1 . 2]" 1 940 1 17 LEU MD2 1 24 PRO HG3 . . 4.650 4.472 4.143 4.649 . 0 0 "[ . 1 . 2]" 1 941 1 22 GLY HA2 1 23 SER HA . . 4.580 4.417 4.400 4.436 . 0 0 "[ . 1 . 2]" 1 942 1 22 GLY HA3 1 23 SER HA . . 4.910 4.583 4.560 4.608 . 0 0 "[ . 1 . 2]" 1 943 1 20 VAL H 1 22 GLY HA2 . . 5.500 5.254 5.164 5.311 . 0 0 "[ . 1 . 2]" 1 944 1 23 SER HA 1 24 PRO HG3 . . 4.730 4.537 4.526 4.542 . 0 0 "[ . 1 . 2]" 1 945 1 36 ALA HA 1 40 THR H . . 4.930 4.952 4.931 4.977 0.047 6 0 "[ . 1 . 2]" 1 946 1 36 ALA HA 1 42 GLU HB2 . . 4.820 4.559 4.174 4.751 . 0 0 "[ . 1 . 2]" 1 947 1 25 ALA HA 1 111 LEU MD2 . . 5.400 5.395 5.337 5.420 0.020 18 0 "[ . 1 . 2]" 1 948 1 25 ALA MB 1 78 TYR QR . . 4.840 2.377 2.338 2.431 . 0 0 "[ . 1 . 2]" 1 949 1 25 ALA MB 1 28 VAL H . . 4.920 4.504 4.463 4.528 . 0 0 "[ . 1 . 2]" 1 950 1 16 VAL H 1 25 ALA MB . . 5.460 5.121 5.080 5.202 . 0 0 "[ . 1 . 2]" 1 951 1 68 ILE MD 1 97 ALA H . . 5.040 4.413 4.243 4.664 . 0 0 "[ . 1 . 2]" 1 952 1 67 GLY H 1 68 ILE MD . . 5.190 5.159 4.908 5.194 0.004 20 0 "[ . 1 . 2]" 1 953 1 26 ILE HA 1 26 ILE HG12 . . 3.930 2.408 2.404 2.412 . 0 0 "[ . 1 . 2]" 1 954 1 27 ASN HA 1 48 LYS QB . . 3.230 2.083 2.042 2.130 . 0 0 "[ . 1 . 2]" 1 955 1 27 ASN HA 1 48 LYS HG3 . . 5.030 4.800 4.767 4.832 . 0 0 "[ . 1 . 2]" 1 956 1 27 ASN HB3 1 28 VAL HA . . 4.970 4.715 4.691 4.742 . 0 0 "[ . 1 . 2]" 1 957 1 45 ALA H 1 58 LEU MD1 . . 5.500 4.948 4.551 5.220 . 0 0 "[ . 1 . 2]" 1 958 1 27 ASN HB2 1 28 VAL MG2 . . 4.980 4.660 4.546 4.760 . 0 0 "[ . 1 . 2]" 1 959 1 31 HIS HB3 1 46 SER HB2 . . 4.710 3.018 2.952 3.069 . 0 0 "[ . 1 . 2]" 1 960 1 45 ALA HA 1 46 SER HB3 . . 4.300 4.001 3.961 4.038 . 0 0 "[ . 1 . 2]" 1 961 1 40 THR HB 1 41 TRP HD1 . . 5.430 4.914 4.804 5.041 . 0 0 "[ . 1 . 2]" 1 962 1 35 LYS HB2 1 68 ILE H . . 4.820 4.129 3.956 4.375 . 0 0 "[ . 1 . 2]" 1 963 1 34 ARG HA 1 35 LYS HB2 . . 5.060 4.686 4.658 4.707 . 0 0 "[ . 1 . 2]" 1 964 1 35 LYS QG 1 39 ASP QB . . 5.500 5.458 5.356 5.508 0.008 9 0 "[ . 1 . 2]" 1 965 1 35 LYS QG 1 41 TRP HE3 . . 5.500 5.311 5.281 5.352 . 0 0 "[ . 1 . 2]" 1 966 1 36 ALA H 1 40 THR HA . . 4.760 4.644 4.570 4.758 . 0 0 "[ . 1 . 2]" 1 967 1 36 ALA H 1 41 TRP HB3 . . 5.500 5.533 5.483 5.612 0.112 11 0 "[ . 1 . 2]" 1 968 1 33 PHE QE 1 43 PRO HD3 . . 4.590 3.633 3.592 3.746 . 0 0 "[ . 1 . 2]" 1 969 1 33 PHE QD 1 43 PRO HD3 . . 4.790 3.496 3.465 3.540 . 0 0 "[ . 1 . 2]" 1 970 1 43 PRO HD3 1 44 PHE H . . 5.500 5.522 5.515 5.528 0.028 19 0 "[ . 1 . 2]" 1 971 1 42 GLU HA 1 43 PRO HD2 . . 3.120 2.463 2.402 2.482 . 0 0 "[ . 1 . 2]" 1 972 1 33 PHE HA 1 41 TRP HE3 . . 5.170 5.057 4.964 5.097 . 0 0 "[ . 1 . 2]" 1 973 1 34 ARG H 1 44 PHE HB2 . . 4.890 3.270 3.131 3.375 . 0 0 "[ . 1 . 2]" 1 974 1 34 ARG H 1 44 PHE HB3 . . 4.960 4.348 4.248 4.471 . 0 0 "[ . 1 . 2]" 1 975 1 44 PHE HB2 1 69 TYR QD . . 5.190 3.352 3.163 3.678 . 0 0 "[ . 1 . 2]" 1 976 1 33 PHE HA 1 34 ARG HB3 . . 5.500 4.388 4.173 4.678 . 0 0 "[ . 1 . 2]" 1 977 1 34 ARG HB2 1 69 TYR HA . . 5.490 4.219 4.013 4.363 . 0 0 "[ . 1 . 2]" 1 978 1 95 PHE QB 1 96 THR HB . . 5.500 5.450 5.342 5.508 0.008 7 0 "[ . 1 . 2]" 1 979 1 30 VAL HA 1 72 GLU HB3 . . 5.500 5.276 4.637 5.512 0.012 14 0 "[ . 1 . 2]" 1 980 1 30 VAL HA 1 31 HIS HB2 . . 5.040 4.796 4.778 4.823 . 0 0 "[ . 1 . 2]" 1 981 1 30 VAL HA 1 31 HIS HB3 . . 5.500 5.589 5.581 5.598 0.098 15 0 "[ . 1 . 2]" 1 982 1 33 PHE QD 1 41 TRP HB3 . . 4.370 3.474 3.340 3.528 . 0 0 "[ . 1 . 2]" 1 983 1 31 HIS HB3 1 33 PHE QE . . 3.890 2.326 2.255 2.469 . 0 0 "[ . 1 . 2]" 1 984 1 31 HIS HB2 1 33 PHE QE . . 3.950 2.036 1.994 2.069 . 0 0 "[ . 1 . 2]" 1 985 1 15 LYS HB3 1 109 ALA H . . 4.680 3.066 2.868 3.288 . 0 0 "[ . 1 . 2]" 1 986 1 27 ASN HB2 1 48 LYS HD3 . . 4.600 4.599 4.503 4.615 0.015 14 0 "[ . 1 . 2]" 1 987 1 106 THR MG 1 108 ALA HA . . 4.250 3.842 3.701 4.000 . 0 0 "[ . 1 . 2]" 1 988 1 46 SER HB3 1 47 GLY HA2 . . 5.250 5.026 4.959 5.085 . 0 0 "[ . 1 . 2]" 1 989 1 33 PHE HA 1 34 ARG HB2 . . 5.500 4.923 4.272 5.591 0.091 10 0 "[ . 1 . 2]" 1 990 1 34 ARG HA 1 41 TRP HZ3 . . 4.540 3.480 3.240 3.628 . 0 0 "[ . 1 . 2]" 1 991 1 34 ARG HA 1 69 TYR HA . . 3.910 2.176 2.073 2.250 . 0 0 "[ . 1 . 2]" 1 992 1 17 LEU HA 1 18 ASP HB3 . . 5.140 5.032 4.961 5.164 0.024 19 0 "[ . 1 . 2]" 1 993 1 36 ALA H 1 37 ALA HA . . 5.500 5.530 5.499 5.585 0.085 17 0 "[ . 1 . 2]" 1 994 1 37 ALA HA 1 40 THR H . . 5.460 5.315 5.308 5.323 . 0 0 "[ . 1 . 2]" 1 995 1 35 LYS QD 1 37 ALA HA . . 4.920 4.636 4.596 4.695 . 0 0 "[ . 1 . 2]" 1 996 1 49 THR HB 1 54 GLU H . . 4.940 3.947 3.765 4.118 . 0 0 "[ . 1 . 2]" 1 997 1 110 MET HG2 1 111 LEU MD1 . . 5.340 5.352 5.294 5.366 0.026 2 0 "[ . 1 . 2]" 1 998 1 21 ARG QD 1 79 TRP HE3 . . 5.500 4.499 4.446 4.561 . 0 0 "[ . 1 . 2]" 1 999 1 30 VAL HB 1 46 SER HA . . 4.640 4.541 4.463 4.658 0.018 17 0 "[ . 1 . 2]" 1 1000 1 45 ALA MB 1 46 SER HA . . 4.370 3.676 3.651 3.728 . 0 0 "[ . 1 . 2]" 1 1001 1 46 SER HA 1 47 GLY HA2 . . 4.900 4.533 4.510 4.547 . 0 0 "[ . 1 . 2]" 1 1002 1 31 HIS HA 1 46 SER HA . . 3.660 2.246 2.216 2.291 . 0 0 "[ . 1 . 2]" 1 1003 1 31 HIS HB2 1 46 SER HB2 . . 5.200 4.536 4.459 4.602 . 0 0 "[ . 1 . 2]" 1 1004 1 45 ALA MB 1 46 SER HB3 . . 4.590 4.548 4.524 4.568 . 0 0 "[ . 1 . 2]" 1 1005 1 32 VAL MG2 1 46 SER HB3 . . 5.500 5.450 5.377 5.495 . 0 0 "[ . 1 . 2]" 1 1006 1 28 VAL MG2 1 48 LYS HA . . 5.490 5.158 5.101 5.226 . 0 0 "[ . 1 . 2]" 1 1007 1 48 LYS H 1 48 LYS HD3 . . 5.260 5.254 5.226 5.269 0.009 20 0 "[ . 1 . 2]" 1 1008 1 29 ALA HA 1 48 LYS HG2 . . 3.980 2.022 1.996 2.082 . 0 0 "[ . 1 . 2]" 1 1009 1 26 ILE HA 1 49 THR HB . . 4.580 4.231 4.127 4.375 . 0 0 "[ . 1 . 2]" 1 1010 1 49 THR HB 1 53 GLY HA3 . . 4.830 3.812 3.713 3.937 . 0 0 "[ . 1 . 2]" 1 1011 1 49 THR MG 1 54 GLU H . . 4.910 4.625 4.525 4.721 . 0 0 "[ . 1 . 2]" 1 1012 1 58 LEU HB3 1 58 LEU MD1 . . 3.450 2.350 2.266 2.456 . 0 0 "[ . 1 . 2]" 1 1013 1 46 SER H 1 58 LEU HB2 . . 5.500 5.418 5.375 5.503 0.003 10 0 "[ . 1 . 2]" 1 1014 1 28 VAL MG1 1 74 ASP H . . 4.150 3.002 2.801 3.467 . 0 0 "[ . 1 . 2]" 1 1015 1 60 THR HB 1 63 GLU HB2 . . 5.500 5.082 4.872 5.262 . 0 0 "[ . 1 . 2]" 1 1016 1 59 THR HB 1 60 THR HB . . 5.500 5.527 5.498 5.551 0.051 4 0 "[ . 1 . 2]" 1 1017 1 62 GLU H 1 62 GLU HB2 . . 3.680 2.670 2.664 2.677 . 0 0 "[ . 1 . 2]" 1 1018 1 17 LEU HB2 1 110 MET HG3 . . 4.510 4.527 4.501 4.538 0.028 2 0 "[ . 1 . 2]" 1 1019 1 36 ALA MB 1 42 GLU HB2 . . 3.480 3.329 3.228 3.422 . 0 0 "[ . 1 . 2]" 1 1020 1 42 GLU HB2 1 43 PRO HD2 . . 3.930 3.642 3.609 3.759 . 0 0 "[ . 1 . 2]" 1 1021 1 63 GLU QG 1 64 PHE QD . . 5.430 5.240 4.983 5.394 . 0 0 "[ . 1 . 2]" 1 1022 1 35 LYS QG 1 68 ILE HB . . 4.930 3.091 2.891 3.304 . 0 0 "[ . 1 . 2]" 1 1023 1 68 ILE MD 1 96 THR HB . . 5.500 5.462 5.242 5.510 0.010 17 0 "[ . 1 . 2]" 1 1024 1 84 ILE HA 1 84 ILE HG13 . . 3.800 2.484 2.472 2.512 . 0 0 "[ . 1 . 2]" 1 1025 1 70 LYS HD3 1 72 GLU HG2 . . 5.470 5.432 5.229 5.518 0.048 9 0 "[ . 1 . 2]" 1 1026 1 43 PRO HB2 1 45 ALA H . . 5.210 5.051 5.007 5.084 . 0 0 "[ . 1 . 2]" 1 1027 1 73 ILE H 1 90 HIS HA . . 5.380 5.119 4.846 5.372 . 0 0 "[ . 1 . 2]" 1 1028 1 106 THR H 1 122 VAL MG2 . . 3.920 3.516 2.880 3.925 0.005 19 0 "[ . 1 . 2]" 1 1029 1 41 TRP HH2 1 94 VAL HA . . 4.890 4.641 4.360 4.788 . 0 0 "[ . 1 . 2]" 1 1030 1 32 VAL MG2 1 69 TYR QD . . 5.500 5.267 5.034 5.455 . 0 0 "[ . 1 . 2]" 1 1031 1 94 VAL MG2 1 95 PHE QE . . 5.500 5.496 5.456 5.515 0.015 4 0 "[ . 1 . 2]" 1 1032 1 68 ILE MG 1 96 THR HB . . 4.340 4.198 3.928 4.351 0.011 17 0 "[ . 1 . 2]" 1 1033 1 15 LYS HB2 1 106 THR MG . . 3.660 2.729 2.585 2.948 . 0 0 "[ . 1 . 2]" 1 1034 1 122 VAL HA 1 123 THR MG . . 4.160 3.775 3.444 4.100 . 0 0 "[ . 1 . 2]" 1 1035 1 15 LYS HB3 1 108 ALA HA . . 4.570 2.141 1.997 2.312 . 0 0 "[ . 1 . 2]" 1 1036 1 15 LYS HB2 1 108 ALA HA . . 4.830 3.573 3.374 3.735 . 0 0 "[ . 1 . 2]" 1 1037 1 95 PHE QB 1 121 VAL MG1 . . 4.790 3.663 3.357 4.011 . 0 0 "[ . 1 . 2]" 1 1038 1 3 THR H 1 3 THR MG . . 3.620 2.851 2.220 3.115 . 0 0 "[ . 1 . 2]" 1 1039 1 2 PRO HB3 1 3 THR H . . 4.380 3.991 3.905 4.251 . 0 0 "[ . 1 . 2]" 1 1040 1 2 PRO HG3 1 3 THR H . . 4.590 3.677 3.561 4.069 . 0 0 "[ . 1 . 2]" 1 1041 1 2 PRO HB2 1 3 THR H . . 4.180 3.077 2.926 3.525 . 0 0 "[ . 1 . 2]" 1 1042 1 5 THR H 1 5 THR MG . . 3.420 2.654 2.034 3.420 . 0 0 "[ . 1 . 2]" 1 1043 1 52 SER H 1 53 GLY H . . 3.250 2.252 2.228 2.288 . 0 0 "[ . 1 . 2]" 1 1044 1 51 GLU H 1 52 SER H . . 3.680 2.671 2.656 2.681 . 0 0 "[ . 1 . 2]" 1 1045 1 52 SER H 1 54 GLU H . . 3.930 3.726 3.587 3.810 . 0 0 "[ . 1 . 2]" 1 1046 1 3 THR MG 1 4 GLY H . . 4.390 3.824 3.485 4.208 . 0 0 "[ . 1 . 2]" 1 1047 1 5 THR MG 1 6 GLY H . . 4.230 3.850 3.287 4.239 0.009 10 0 "[ . 1 . 2]" 1 1048 1 7 GLU H 1 7 GLU QG . . 3.520 2.513 2.083 3.514 . 0 0 "[ . 1 . 2]" 1 1049 1 8 SER H 1 8 SER QB . . 3.100 2.790 2.195 3.138 0.038 9 0 "[ . 1 . 2]" 1 1050 1 7 GLU HA 1 8 SER H . . 2.700 2.379 2.176 2.686 . 0 0 "[ . 1 . 2]" 1 1051 1 11 PRO HB3 1 12 LEU H . . 4.560 4.163 3.970 4.325 . 0 0 "[ . 1 . 2]" 1 1052 1 11 PRO HB2 1 12 LEU H . . 4.560 3.372 3.038 3.652 . 0 0 "[ . 1 . 2]" 1 1053 1 12 LEU H 1 12 LEU QB . . 3.820 2.572 2.365 3.027 . 0 0 "[ . 1 . 2]" 1 1054 1 12 LEU HG 1 13 MET H . . 5.070 3.427 2.014 5.022 . 0 0 "[ . 1 . 2]" 1 1055 1 12 LEU MD2 1 13 MET H . . 4.660 3.437 2.139 4.594 . 0 0 "[ . 1 . 2]" 1 1056 1 12 LEU MD1 1 13 MET H . . 4.660 3.820 2.169 4.663 0.003 17 0 "[ . 1 . 2]" 1 1057 1 16 VAL H 1 17 LEU H . . 4.550 4.157 4.106 4.181 . 0 0 "[ . 1 . 2]" 1 1058 1 16 VAL H 1 54 GLU HA . . 4.260 4.006 3.955 4.085 . 0 0 "[ . 1 . 2]" 1 1059 1 15 LYS HA 1 16 VAL H . . 3.240 2.143 2.140 2.150 . 0 0 "[ . 1 . 2]" 1 1060 1 16 VAL H 1 49 THR HB . . 4.990 4.115 4.054 4.225 . 0 0 "[ . 1 . 2]" 1 1061 1 16 VAL H 1 53 GLY HA2 . . 5.140 3.627 3.518 3.683 . 0 0 "[ . 1 . 2]" 1 1062 1 16 VAL H 1 16 VAL HB . . 3.620 2.584 2.547 2.605 . 0 0 "[ . 1 . 2]" 1 1063 1 15 LYS HB3 1 16 VAL H . . 4.330 4.204 4.076 4.317 . 0 0 "[ . 1 . 2]" 1 1064 1 15 LYS QD 1 16 VAL H . . 4.170 3.867 3.698 4.162 . 0 0 "[ . 1 . 2]" 1 1065 1 15 LYS QG 1 16 VAL H . . 3.650 2.917 2.704 3.098 . 0 0 "[ . 1 . 2]" 1 1066 1 13 MET ME 1 16 VAL H . . 5.200 5.045 4.377 5.207 0.007 16 0 "[ . 1 . 2]" 1 1067 1 16 VAL H 1 53 GLY HA3 . . 4.720 3.435 3.233 3.552 . 0 0 "[ . 1 . 2]" 1 1068 1 17 LEU H 1 18 ASP H . . 4.880 4.514 4.509 4.518 . 0 0 "[ . 1 . 2]" 1 1069 1 17 LEU H 1 110 MET H . . 5.360 4.992 4.856 5.067 . 0 0 "[ . 1 . 2]" 1 1070 1 18 ASP H 1 25 ALA H . . 4.100 4.045 3.888 4.116 0.016 12 0 "[ . 1 . 2]" 1 1071 1 18 ASP H 1 19 ALA H . . 5.010 4.483 4.456 4.498 . 0 0 "[ . 1 . 2]" 1 1072 1 18 ASP H 1 22 GLY H . . 4.370 4.259 4.215 4.318 . 0 0 "[ . 1 . 2]" 1 1073 1 18 ASP H 1 18 ASP HB3 . . 3.530 2.819 2.749 2.961 . 0 0 "[ . 1 . 2]" 1 1074 1 18 ASP H 1 18 ASP HB2 . . 3.420 2.561 2.471 2.613 . 0 0 "[ . 1 . 2]" 1 1075 1 19 ALA H 1 20 VAL H . . 3.420 2.336 2.305 2.395 . 0 0 "[ . 1 . 2]" 1 1076 1 19 ALA H 1 21 ARG H . . 4.140 3.982 3.901 4.149 0.009 16 0 "[ . 1 . 2]" 1 1077 1 19 ALA H 1 79 TRP HZ2 . . 5.310 5.059 5.028 5.086 . 0 0 "[ . 1 . 2]" 1 1078 1 19 ALA H 1 110 MET HA . . 4.460 4.298 4.224 4.393 . 0 0 "[ . 1 . 2]" 1 1079 1 19 ALA H 1 112 SER HA . . 4.890 3.970 3.810 4.066 . 0 0 "[ . 1 . 2]" 1 1080 1 18 ASP HA 1 19 ALA H . . 3.180 2.168 2.154 2.181 . 0 0 "[ . 1 . 2]" 1 1081 1 19 ALA H 1 20 VAL HA . . 5.160 4.995 4.966 5.051 . 0 0 "[ . 1 . 2]" 1 1082 1 18 ASP HB2 1 19 ALA H . . 4.610 4.342 4.309 4.395 . 0 0 "[ . 1 . 2]" 1 1083 1 19 ALA H 1 20 VAL HB . . 4.660 4.527 4.489 4.589 . 0 0 "[ . 1 . 2]" 1 1084 1 18 ASP HB3 1 19 ALA H . . 4.330 3.880 3.723 3.996 . 0 0 "[ . 1 . 2]" 1 1085 1 19 ALA H 1 20 VAL MG2 . . 4.140 3.873 3.771 3.997 . 0 0 "[ . 1 . 2]" 1 1086 1 19 ALA H 1 111 LEU MD1 . . 4.830 4.842 4.817 4.852 0.022 1 0 "[ . 1 . 2]" 1 1087 1 20 VAL H 1 21 ARG H . . 3.060 2.345 2.298 2.440 . 0 0 "[ . 1 . 2]" 1 1088 1 20 VAL H 1 23 SER H . . 5.500 5.466 5.415 5.511 0.011 5 0 "[ . 1 . 2]" 1 1089 1 20 VAL H 1 79 TRP HH2 . . 4.580 3.688 3.606 3.782 . 0 0 "[ . 1 . 2]" 1 1090 1 20 VAL H 1 112 SER HA . . 4.700 3.974 3.812 4.072 . 0 0 "[ . 1 . 2]" 1 1091 1 18 ASP HA 1 20 VAL H . . 4.140 3.723 3.667 3.763 . 0 0 "[ . 1 . 2]" 1 1092 1 20 VAL H 1 21 ARG HA . . 5.100 5.039 5.007 5.103 0.003 18 0 "[ . 1 . 2]" 1 1093 1 20 VAL H 1 20 VAL HB . . 3.150 2.434 2.425 2.445 . 0 0 "[ . 1 . 2]" 1 1094 1 20 VAL H 1 110 MET ME . . 4.770 4.723 4.583 4.788 0.018 19 0 "[ . 1 . 2]" 1 1095 1 20 VAL H 1 21 ARG HG3 . . 4.080 3.861 3.779 3.966 . 0 0 "[ . 1 . 2]" 1 1096 1 19 ALA MB 1 20 VAL H . . 3.550 2.974 2.877 3.037 . 0 0 "[ . 1 . 2]" 1 1097 1 20 VAL H 1 20 VAL MG2 . . 3.050 2.461 2.406 2.553 . 0 0 "[ . 1 . 2]" 1 1098 1 21 ARG H 1 23 SER H . . 4.280 3.834 3.746 3.960 . 0 0 "[ . 1 . 2]" 1 1099 1 18 ASP HB2 1 21 ARG H . . 4.440 3.997 3.946 4.038 . 0 0 "[ . 1 . 2]" 1 1100 1 20 VAL HB 1 21 ARG H . . 3.340 2.769 2.520 2.888 . 0 0 "[ . 1 . 2]" 1 1101 1 18 ASP HB3 1 21 ARG H . . 4.460 2.466 2.258 2.608 . 0 0 "[ . 1 . 2]" 1 1102 1 21 ARG H 1 21 ARG HG3 . . 3.520 2.243 2.095 2.372 . 0 0 "[ . 1 . 2]" 1 1103 1 21 ARG H 1 21 ARG HG2 . . 3.610 3.352 3.033 3.539 . 0 0 "[ . 1 . 2]" 1 1104 1 21 ARG H 1 21 ARG HB2 . . 3.440 2.699 2.681 2.727 . 0 0 "[ . 1 . 2]" 1 1105 1 19 ALA MB 1 21 ARG H . . 4.850 4.690 4.608 4.828 . 0 0 "[ . 1 . 2]" 1 1106 1 20 VAL MG1 1 21 ARG H . . 3.500 3.448 3.223 3.530 0.030 20 0 "[ . 1 . 2]" 1 1107 1 20 VAL H 1 22 GLY H . . 3.620 3.488 3.428 3.529 . 0 0 "[ . 1 . 2]" 1 1108 1 19 ALA H 1 22 GLY H . . 4.840 4.303 4.262 4.355 . 0 0 "[ . 1 . 2]" 1 1109 1 21 ARG QD 1 22 GLY H . . 5.140 5.004 4.875 5.156 0.016 16 0 "[ . 1 . 2]" 1 1110 1 18 ASP HB2 1 22 GLY H . . 4.400 4.389 4.318 4.410 0.010 5 0 "[ . 1 . 2]" 1 1111 1 20 VAL HB 1 22 GLY H . . 5.140 4.779 4.626 4.841 . 0 0 "[ . 1 . 2]" 1 1112 1 18 ASP HB3 1 22 GLY H . . 4.490 2.678 2.589 2.761 . 0 0 "[ . 1 . 2]" 1 1113 1 21 ARG HB3 1 22 GLY H . . 4.510 4.152 4.117 4.197 . 0 0 "[ . 1 . 2]" 1 1114 1 21 ARG HG3 1 22 GLY H . . 4.220 4.054 4.014 4.126 . 0 0 "[ . 1 . 2]" 1 1115 1 21 ARG HG2 1 22 GLY H . . 5.000 4.924 4.832 4.999 . 0 0 "[ . 1 . 2]" 1 1116 1 21 ARG HB2 1 22 GLY H . . 3.770 3.056 2.998 3.124 . 0 0 "[ . 1 . 2]" 1 1117 1 19 ALA MB 1 22 GLY H . . 5.010 4.673 4.614 4.731 . 0 0 "[ . 1 . 2]" 1 1118 1 20 VAL MG1 1 22 GLY H . . 5.020 4.946 4.769 5.002 . 0 0 "[ . 1 . 2]" 1 1119 1 22 GLY H 1 23 SER HA . . 5.360 5.199 5.162 5.232 . 0 0 "[ . 1 . 2]" 1 1120 1 19 ALA HA 1 22 GLY H . . 3.720 3.546 3.431 3.696 . 0 0 "[ . 1 . 2]" 1 1121 1 18 ASP H 1 23 SER H . . 3.660 3.083 3.042 3.142 . 0 0 "[ . 1 . 2]" 1 1122 1 22 GLY H 1 23 SER H . . 3.100 2.555 2.510 2.595 . 0 0 "[ . 1 . 2]" 1 1123 1 21 ARG HA 1 23 SER H . . 4.780 4.536 4.482 4.582 . 0 0 "[ . 1 . 2]" 1 1124 1 22 GLY HA2 1 23 SER H . . 3.460 3.034 3.000 3.067 . 0 0 "[ . 1 . 2]" 1 1125 1 23 SER H 1 23 SER HB3 . . 4.060 3.614 2.642 3.695 . 0 0 "[ . 1 . 2]" 1 1126 1 21 ARG QD 1 23 SER H . . 4.760 4.480 4.292 4.667 . 0 0 "[ . 1 . 2]" 1 1127 1 18 ASP HB2 1 23 SER H . . 3.890 3.645 3.592 3.688 . 0 0 "[ . 1 . 2]" 1 1128 1 18 ASP HB3 1 23 SER H . . 4.360 2.524 2.381 2.824 . 0 0 "[ . 1 . 2]" 1 1129 1 21 ARG HB3 1 23 SER H . . 3.910 3.836 3.753 3.895 . 0 0 "[ . 1 . 2]" 1 1130 1 26 ILE H 1 78 TYR QR . . 5.500 2.407 2.142 2.679 . 0 0 "[ . 1 . 2]" 1 1131 1 17 LEU HA 1 25 ALA H . . 3.700 2.739 2.642 2.794 . 0 0 "[ . 1 . 2]" 1 1132 1 25 ALA HA 1 26 ILE H . . 3.240 2.255 2.243 2.271 . 0 0 "[ . 1 . 2]" 1 1133 1 25 ALA H 1 53 GLY HA2 . . 4.490 3.871 3.749 4.054 . 0 0 "[ . 1 . 2]" 1 1134 1 26 ILE H 1 78 TYR HB2 . . 5.060 4.729 4.433 5.063 0.003 19 0 "[ . 1 . 2]" 1 1135 1 26 ILE H 1 26 ILE HB . . 3.530 2.473 2.471 2.476 . 0 0 "[ . 1 . 2]" 1 1136 1 26 ILE H 1 26 ILE HG12 . . 4.170 4.007 3.999 4.012 . 0 0 "[ . 1 . 2]" 1 1137 1 26 ILE H 1 26 ILE HG13 . . 4.170 2.951 2.945 2.958 . 0 0 "[ . 1 . 2]" 1 1138 1 25 ALA H 1 25 ALA MB . . 3.440 2.238 2.210 2.255 . 0 0 "[ . 1 . 2]" 1 1139 1 27 ASN H 1 49 THR H . . 4.400 3.729 3.521 3.790 . 0 0 "[ . 1 . 2]" 1 1140 1 84 ILE H 1 85 SER H . . 4.720 4.565 4.554 4.570 . 0 0 "[ . 1 . 2]" 1 1141 1 83 GLY H 1 84 ILE H . . 2.990 2.387 2.378 2.399 . 0 0 "[ . 1 . 2]" 1 1142 1 27 ASN H 1 27 ASN HD22 . . 4.420 3.645 3.638 3.650 . 0 0 "[ . 1 . 2]" 1 1143 1 79 TRP HE3 1 84 ILE H . . 4.250 3.800 3.772 3.819 . 0 0 "[ . 1 . 2]" 1 1144 1 26 ILE HA 1 27 ASN H . . 3.310 2.224 2.221 2.226 . 0 0 "[ . 1 . 2]" 1 1145 1 79 TRP HB3 1 84 ILE H . . 4.630 3.158 3.098 3.227 . 0 0 "[ . 1 . 2]" 1 1146 1 79 TRP HB2 1 84 ILE H . . 4.630 4.523 4.459 4.589 . 0 0 "[ . 1 . 2]" 1 1147 1 84 ILE H 1 84 ILE HB . . 3.090 2.205 2.196 2.226 . 0 0 "[ . 1 . 2]" 1 1148 1 26 ILE HB 1 27 ASN H . . 4.130 4.055 4.049 4.062 . 0 0 "[ . 1 . 2]" 1 1149 1 27 ASN H 1 48 LYS QB . . 4.110 3.662 3.627 3.703 . 0 0 "[ . 1 . 2]" 1 1150 1 84 ILE H 1 84 ILE HG13 . . 4.510 4.392 4.384 4.403 . 0 0 "[ . 1 . 2]" 1 1151 1 84 ILE H 1 84 ILE MG . . 3.620 3.425 3.396 3.467 . 0 0 "[ . 1 . 2]" 1 1152 1 27 ASN H 1 50 SER HA . . 4.220 3.104 2.995 3.272 . 0 0 "[ . 1 . 2]" 1 1153 1 27 ASN HB2 1 27 ASN HD22 . . 3.780 3.749 3.748 3.750 . 0 0 "[ . 1 . 2]" 1 1154 1 27 ASN HD22 1 48 LYS QB . . 4.810 4.693 4.659 4.730 . 0 0 "[ . 1 . 2]" 1 1155 1 26 ILE MD 1 27 ASN HD22 . . 4.990 5.010 5.005 5.013 0.023 13 0 "[ . 1 . 2]" 1 1156 1 26 ILE MG 1 27 ASN HD22 . . 3.650 2.638 2.636 2.640 . 0 0 "[ . 1 . 2]" 1 1157 1 27 ASN HA 1 27 ASN HD22 . . 4.290 3.525 3.522 3.529 . 0 0 "[ . 1 . 2]" 1 1158 1 27 ASN HB2 1 27 ASN HD21 . . 3.360 2.858 2.854 2.860 . 0 0 "[ . 1 . 2]" 1 1159 1 27 ASN H 1 28 VAL H . . 3.610 2.801 2.793 2.814 . 0 0 "[ . 1 . 2]" 1 1160 1 28 VAL H 1 48 LYS HA . . 4.210 3.653 3.618 3.702 . 0 0 "[ . 1 . 2]" 1 1161 1 28 VAL H 1 49 THR HB . . 4.320 4.274 4.201 4.435 0.115 13 0 "[ . 1 . 2]" 1 1162 1 26 ILE HA 1 28 VAL H . . 3.820 3.871 3.855 3.891 0.071 19 0 "[ . 1 . 2]" 1 1163 1 27 ASN HB3 1 28 VAL H . . 4.390 4.370 4.367 4.373 . 0 0 "[ . 1 . 2]" 1 1164 1 28 VAL H 1 28 VAL HB . . 3.340 2.481 2.444 2.541 . 0 0 "[ . 1 . 2]" 1 1165 1 28 VAL H 1 48 LYS QB . . 3.740 2.818 2.776 2.892 . 0 0 "[ . 1 . 2]" 1 1166 1 28 VAL H 1 49 THR MG . . 3.510 3.299 3.200 3.383 . 0 0 "[ . 1 . 2]" 1 1167 1 28 VAL H 1 28 VAL MG1 . . 3.930 3.780 3.764 3.802 . 0 0 "[ . 1 . 2]" 1 1168 1 28 VAL H 1 28 VAL MG2 . . 3.360 2.503 2.315 2.634 . 0 0 "[ . 1 . 2]" 1 1169 1 29 ALA H 1 30 VAL H . . 4.860 4.388 4.385 4.390 . 0 0 "[ . 1 . 2]" 1 1170 1 29 ALA H 1 74 ASP H . . 5.250 4.251 4.106 4.501 . 0 0 "[ . 1 . 2]" 1 1171 1 35 LYS H 1 41 TRP HZ3 . . 3.810 2.808 2.248 3.065 . 0 0 "[ . 1 . 2]" 1 1172 1 35 LYS H 1 69 TYR QD . . 4.720 4.514 4.373 4.718 . 0 0 "[ . 1 . 2]" 1 1173 1 35 LYS H 1 41 TRP HE3 . . 4.140 3.262 2.971 3.427 . 0 0 "[ . 1 . 2]" 1 1174 1 29 ALA H 1 48 LYS HA . . 4.540 4.549 4.532 4.561 0.021 12 0 "[ . 1 . 2]" 1 1175 1 35 LYS H 1 69 TYR HA . . 3.970 3.132 2.815 3.241 . 0 0 "[ . 1 . 2]" 1 1176 1 34 ARG HA 1 35 LYS H . . 3.350 2.244 2.181 2.258 . 0 0 "[ . 1 . 2]" 1 1177 1 28 VAL HA 1 29 ALA H . . 3.260 2.196 2.192 2.200 . 0 0 "[ . 1 . 2]" 1 1178 1 27 ASN HB3 1 29 ALA H . . 5.500 4.880 4.830 4.940 . 0 0 "[ . 1 . 2]" 1 1179 1 29 ALA H 1 48 LYS QE . . 4.760 4.242 4.128 4.401 . 0 0 "[ . 1 . 2]" 1 1180 1 35 LYS H 1 35 LYS QE . . 5.100 4.562 4.428 4.764 . 0 0 "[ . 1 . 2]" 1 1181 1 35 LYS H 1 35 LYS HB2 . . 3.430 2.783 2.675 2.840 . 0 0 "[ . 1 . 2]" 1 1182 1 35 LYS H 1 68 ILE HB . . 3.930 3.512 3.396 3.596 . 0 0 "[ . 1 . 2]" 1 1183 1 34 ARG QG 1 35 LYS H . . 3.610 2.867 2.221 3.590 . 0 0 "[ . 1 . 2]" 1 1184 1 35 LYS H 1 35 LYS QD . . 4.500 4.428 4.383 4.457 . 0 0 "[ . 1 . 2]" 1 1185 1 35 LYS H 1 35 LYS HB3 . . 3.410 2.321 2.315 2.375 . 0 0 "[ . 1 . 2]" 1 1186 1 28 VAL MG1 1 29 ALA H . . 3.310 3.189 3.115 3.261 . 0 0 "[ . 1 . 2]" 1 1187 1 35 LYS H 1 35 LYS QG . . 4.280 3.936 3.929 3.971 . 0 0 "[ . 1 . 2]" 1 1188 1 31 HIS H 1 72 GLU H . . 3.820 2.717 2.611 2.840 . 0 0 "[ . 1 . 2]" 1 1189 1 31 HIS H 1 33 PHE QE . . 5.010 4.873 4.826 4.906 . 0 0 "[ . 1 . 2]" 1 1190 1 31 HIS H 1 72 GLU HA . . 4.840 4.674 4.584 4.762 . 0 0 "[ . 1 . 2]" 1 1191 1 31 HIS H 1 71 VAL HA . . 4.520 4.399 4.360 4.478 . 0 0 "[ . 1 . 2]" 1 1192 1 30 VAL HA 1 31 HIS H . . 2.980 2.227 2.212 2.255 . 0 0 "[ . 1 . 2]" 1 1193 1 31 HIS H 1 46 SER HA . . 4.960 4.719 4.682 4.789 . 0 0 "[ . 1 . 2]" 1 1194 1 31 HIS H 1 31 HIS HB2 . . 3.720 2.906 2.883 2.929 . 0 0 "[ . 1 . 2]" 1 1195 1 31 HIS H 1 31 HIS HB3 . . 4.090 3.868 3.860 3.877 . 0 0 "[ . 1 . 2]" 1 1196 1 31 HIS H 1 72 GLU HB3 . . 4.880 4.434 3.687 4.748 . 0 0 "[ . 1 . 2]" 1 1197 1 31 HIS H 1 72 GLU HB2 . . 4.490 3.476 3.310 3.929 . 0 0 "[ . 1 . 2]" 1 1198 1 30 VAL HB 1 31 HIS H . . 3.980 3.903 3.834 3.930 . 0 0 "[ . 1 . 2]" 1 1199 1 31 HIS H 1 71 VAL MG2 . . 5.080 5.110 5.100 5.119 0.039 14 0 "[ . 1 . 2]" 1 1200 1 31 HIS H 1 32 VAL MG2 . . 4.110 3.980 3.949 4.060 . 0 0 "[ . 1 . 2]" 1 1201 1 30 VAL MG1 1 31 HIS H . . 2.990 2.209 2.027 2.326 . 0 0 "[ . 1 . 2]" 1 1202 1 30 VAL H 1 48 LYS HA . . 3.620 2.977 2.955 3.021 . 0 0 "[ . 1 . 2]" 1 1203 1 29 ALA HA 1 30 VAL H . . 2.820 2.156 2.155 2.157 . 0 0 "[ . 1 . 2]" 1 1204 1 30 VAL H 1 30 VAL HB . . 2.830 2.694 2.673 2.706 . 0 0 "[ . 1 . 2]" 1 1205 1 31 HIS H 1 32 VAL H . . 4.560 4.431 4.412 4.442 . 0 0 "[ . 1 . 2]" 1 1206 1 32 VAL H 1 44 PHE H . . 4.630 4.279 4.241 4.378 . 0 0 "[ . 1 . 2]" 1 1207 1 32 VAL H 1 47 GLY H . . 5.370 5.226 5.140 5.266 . 0 0 "[ . 1 . 2]" 1 1208 1 32 VAL H 1 33 PHE QE . . 4.180 4.058 3.965 4.169 . 0 0 "[ . 1 . 2]" 1 1209 1 32 VAL H 1 33 PHE QD . . 4.690 3.985 3.924 4.076 . 0 0 "[ . 1 . 2]" 1 1210 1 32 VAL H 1 72 GLU H . . 5.060 4.910 4.795 4.987 . 0 0 "[ . 1 . 2]" 1 1211 1 32 VAL H 1 46 SER HA . . 3.760 3.177 3.101 3.211 . 0 0 "[ . 1 . 2]" 1 1212 1 31 HIS HA 1 32 VAL H . . 3.040 2.272 2.252 2.289 . 0 0 "[ . 1 . 2]" 1 1213 1 32 VAL H 1 45 ALA HA . . 5.020 4.812 4.778 4.856 . 0 0 "[ . 1 . 2]" 1 1214 1 32 VAL H 1 46 SER HB2 . . 4.070 3.301 3.196 3.426 . 0 0 "[ . 1 . 2]" 1 1215 1 32 VAL H 1 46 SER HB3 . . 4.790 4.531 4.422 4.628 . 0 0 "[ . 1 . 2]" 1 1216 1 31 HIS HB2 1 32 VAL H . . 4.000 3.644 3.616 3.698 . 0 0 "[ . 1 . 2]" 1 1217 1 31 HIS HB3 1 32 VAL H . . 3.820 2.854 2.799 2.910 . 0 0 "[ . 1 . 2]" 1 1218 1 32 VAL H 1 44 PHE HB3 . . 4.650 4.568 4.458 4.657 0.007 9 0 "[ . 1 . 2]" 1 1219 1 32 VAL H 1 32 VAL HB . . 3.510 2.838 2.815 2.852 . 0 0 "[ . 1 . 2]" 1 1220 1 32 VAL H 1 32 VAL MG1 . . 3.960 3.936 3.925 3.941 . 0 0 "[ . 1 . 2]" 1 1221 1 32 VAL H 1 71 VAL MG2 . . 5.160 5.044 4.948 5.079 . 0 0 "[ . 1 . 2]" 1 1222 1 32 VAL H 1 32 VAL MG2 . . 3.260 2.772 2.707 2.798 . 0 0 "[ . 1 . 2]" 1 1223 1 30 VAL MG1 1 32 VAL H . . 5.180 4.562 4.458 4.623 . 0 0 "[ . 1 . 2]" 1 1224 1 33 PHE H 1 34 ARG H . . 4.560 4.487 4.473 4.499 . 0 0 "[ . 1 . 2]" 1 1225 1 33 PHE H 1 44 PHE H . . 4.760 4.615 4.547 4.664 . 0 0 "[ . 1 . 2]" 1 1226 1 33 PHE H 1 70 LYS H . . 3.790 2.841 2.690 2.951 . 0 0 "[ . 1 . 2]" 1 1227 1 33 PHE H 1 45 ALA H . . 5.080 4.936 4.888 4.979 . 0 0 "[ . 1 . 2]" 1 1228 1 33 PHE H 1 33 PHE QE . . 5.360 4.733 4.694 4.791 . 0 0 "[ . 1 . 2]" 1 1229 1 33 PHE H 1 44 PHE QR . . 5.500 5.186 4.924 5.308 . 0 0 "[ . 1 . 2]" 1 1230 1 33 PHE H 1 41 TRP HE3 . . 5.110 5.111 5.057 5.125 0.015 1 0 "[ . 1 . 2]" 1 1231 1 33 PHE H 1 33 PHE QD . . 3.690 2.529 2.481 2.624 . 0 0 "[ . 1 . 2]" 1 1232 1 33 PHE H 1 69 TYR QD . . 4.620 4.263 3.978 4.499 . 0 0 "[ . 1 . 2]" 1 1233 1 32 VAL HA 1 33 PHE H . . 3.220 2.146 2.141 2.152 . 0 0 "[ . 1 . 2]" 1 1234 1 33 PHE H 1 69 TYR HA . . 5.040 4.657 4.559 4.897 . 0 0 "[ . 1 . 2]" 1 1235 1 33 PHE H 1 70 LYS HA . . 5.450 4.628 4.591 4.668 . 0 0 "[ . 1 . 2]" 1 1236 1 33 PHE H 1 71 VAL HA . . 4.240 3.486 3.298 3.551 . 0 0 "[ . 1 . 2]" 1 1237 1 33 PHE H 1 33 PHE HB2 . . 4.010 2.605 2.574 2.640 . 0 0 "[ . 1 . 2]" 1 1238 1 32 VAL HB 1 33 PHE H . . 4.540 4.106 4.051 4.162 . 0 0 "[ . 1 . 2]" 1 1239 1 33 PHE H 1 69 TYR HB3 . . 4.890 4.012 3.862 4.348 . 0 0 "[ . 1 . 2]" 1 1240 1 32 VAL MG1 1 33 PHE H . . 3.330 2.638 2.502 2.779 . 0 0 "[ . 1 . 2]" 1 1241 1 33 PHE H 1 71 VAL MG2 . . 4.280 3.918 3.817 4.004 . 0 0 "[ . 1 . 2]" 1 1242 1 32 VAL MG2 1 33 PHE H . . 4.470 4.167 4.142 4.181 . 0 0 "[ . 1 . 2]" 1 1243 1 33 PHE H 1 70 LYS HB3 . . 4.140 3.557 3.514 3.594 . 0 0 "[ . 1 . 2]" 1 1244 1 33 PHE H 1 70 LYS HB2 . . 5.040 4.893 4.808 5.018 . 0 0 "[ . 1 . 2]" 1 1245 1 34 ARG H 1 42 GLU H . . 3.550 2.805 2.747 2.845 . 0 0 "[ . 1 . 2]" 1 1246 1 34 ARG H 1 44 PHE H . . 4.110 4.054 3.967 4.126 0.016 9 0 "[ . 1 . 2]" 1 1247 1 34 ARG H 1 35 LYS H . . 4.490 4.462 4.389 4.480 . 0 0 "[ . 1 . 2]" 1 1248 1 34 ARG H 1 41 TRP HE3 . . 3.920 3.754 3.544 3.887 . 0 0 "[ . 1 . 2]" 1 1249 1 33 PHE QD 1 34 ARG H . . 4.080 3.830 3.773 3.869 . 0 0 "[ . 1 . 2]" 1 1250 1 34 ARG H 1 69 TYR QD . . 4.750 4.292 4.118 4.592 . 0 0 "[ . 1 . 2]" 1 1251 1 33 PHE HA 1 34 ARG H . . 3.190 2.379 2.359 2.410 . 0 0 "[ . 1 . 2]" 1 1252 1 34 ARG H 1 69 TYR HA . . 4.780 4.685 4.602 4.788 0.008 7 0 "[ . 1 . 2]" 1 1253 1 34 ARG H 1 42 GLU HA . . 4.640 4.480 4.401 4.522 . 0 0 "[ . 1 . 2]" 1 1254 1 34 ARG H 1 41 TRP HA . . 4.180 3.940 3.866 4.005 . 0 0 "[ . 1 . 2]" 1 1255 1 34 ARG H 1 43 PRO HA . . 4.540 4.379 4.343 4.419 . 0 0 "[ . 1 . 2]" 1 1256 1 33 PHE HB3 1 34 ARG H . . 3.660 2.490 2.416 2.537 . 0 0 "[ . 1 . 2]" 1 1257 1 33 PHE HB2 1 34 ARG H . . 3.820 3.688 3.620 3.726 . 0 0 "[ . 1 . 2]" 1 1258 1 34 ARG H 1 42 GLU QG . . 5.100 5.099 4.998 5.124 0.024 17 0 "[ . 1 . 2]" 1 1259 1 34 ARG H 1 42 GLU HB3 . . 4.340 4.325 4.137 4.350 0.010 10 0 "[ . 1 . 2]" 1 1260 1 34 ARG H 1 42 GLU HB2 . . 3.960 3.598 3.446 3.628 . 0 0 "[ . 1 . 2]" 1 1261 1 34 ARG H 1 34 ARG HB2 . . 3.850 3.410 2.980 3.822 . 0 0 "[ . 1 . 2]" 1 1262 1 34 ARG H 1 34 ARG QG . . 4.090 3.262 2.289 4.089 . 0 0 "[ . 1 . 2]" 1 1263 1 34 ARG H 1 34 ARG HB3 . . 3.850 2.737 2.542 2.927 . 0 0 "[ . 1 . 2]" 1 1264 1 35 LYS HA 1 36 ALA H . . 2.880 2.144 2.140 2.153 . 0 0 "[ . 1 . 2]" 1 1265 1 36 ALA H 1 42 GLU H . . 3.830 3.604 3.511 3.665 . 0 0 "[ . 1 . 2]" 1 1266 1 36 ALA H 1 37 ALA H . . 4.560 4.502 4.492 4.517 . 0 0 "[ . 1 . 2]" 1 1267 1 36 ALA H 1 41 TRP HE3 . . 4.860 4.679 4.394 4.852 . 0 0 "[ . 1 . 2]" 1 1268 1 36 ALA H 1 41 TRP HA . . 3.520 3.105 3.032 3.180 . 0 0 "[ . 1 . 2]" 1 1269 1 35 LYS QG 1 36 ALA H . . 3.780 3.512 3.418 3.682 . 0 0 "[ . 1 . 2]" 1 1270 1 35 LYS QD 1 36 ALA H . . 3.290 2.338 2.251 2.458 . 0 0 "[ . 1 . 2]" 1 1271 1 35 LYS HB3 1 36 ALA H . . 4.480 4.423 4.395 4.468 . 0 0 "[ . 1 . 2]" 1 1272 1 35 LYS QE 1 36 ALA H . . 4.660 4.165 3.947 4.550 . 0 0 "[ . 1 . 2]" 1 1273 1 36 ALA H 1 42 GLU HB2 . . 4.920 4.616 4.372 4.784 . 0 0 "[ . 1 . 2]" 1 1274 1 38 ASP H 1 39 ASP H . . 2.900 2.678 2.607 2.730 . 0 0 "[ . 1 . 2]" 1 1275 1 36 ALA H 1 38 ASP H . . 4.400 4.403 4.365 4.411 0.011 8 0 "[ . 1 . 2]" 1 1276 1 37 ALA H 1 38 ASP H . . 3.330 2.446 2.436 2.453 . 0 0 "[ . 1 . 2]" 1 1277 1 38 ASP H 1 38 ASP HB2 . . 3.260 2.559 2.332 2.647 . 0 0 "[ . 1 . 2]" 1 1278 1 38 ASP H 1 38 ASP HB3 . . 3.260 2.883 2.775 3.210 . 0 0 "[ . 1 . 2]" 1 1279 1 38 ASP H 1 40 THR MG . . 4.110 4.039 3.903 4.115 0.005 8 0 "[ . 1 . 2]" 1 1280 1 35 LYS QD 1 38 ASP H . . 4.590 4.550 4.445 4.602 0.012 18 0 "[ . 1 . 2]" 1 1281 1 36 ALA H 1 39 ASP H . . 4.780 4.708 4.644 4.814 0.034 17 0 "[ . 1 . 2]" 1 1282 1 37 ALA H 1 39 ASP H . . 4.560 4.475 4.450 4.509 . 0 0 "[ . 1 . 2]" 1 1283 1 38 ASP HA 1 39 ASP H . . 3.250 2.962 2.933 3.005 . 0 0 "[ . 1 . 2]" 1 1284 1 37 ALA HA 1 39 ASP H . . 3.640 3.506 3.460 3.550 . 0 0 "[ . 1 . 2]" 1 1285 1 39 ASP H 1 39 ASP HA . . 2.630 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1 1286 1 39 ASP H 1 39 ASP QB . . 3.310 3.292 3.275 3.321 0.011 6 0 "[ . 1 . 2]" 1 1287 1 38 ASP HB3 1 39 ASP H . . 4.550 4.058 4.002 4.138 . 0 0 "[ . 1 . 2]" 1 1288 1 35 LYS QE 1 39 ASP H . . 4.790 4.784 4.763 4.805 0.015 9 0 "[ . 1 . 2]" 1 1289 1 36 ALA MB 1 39 ASP H . . 3.860 3.830 3.793 3.869 0.009 10 0 "[ . 1 . 2]" 1 1290 1 39 ASP H 1 40 THR MG . . 4.320 4.258 4.211 4.313 . 0 0 "[ . 1 . 2]" 1 1291 1 35 LYS QD 1 39 ASP H . . 3.490 3.113 3.030 3.161 . 0 0 "[ . 1 . 2]" 1 1292 1 35 LYS QG 1 39 ASP H . . 4.630 4.424 4.367 4.477 . 0 0 "[ . 1 . 2]" 1 1293 1 35 LYS QG 1 40 THR H . . 4.800 4.707 4.532 4.799 . 0 0 "[ . 1 . 2]" 1 1294 1 36 ALA MB 1 40 THR H . . 3.150 2.698 2.637 2.745 . 0 0 "[ . 1 . 2]" 1 1295 1 40 THR H 1 40 THR MG . . 2.910 2.767 2.683 2.869 . 0 0 "[ . 1 . 2]" 1 1296 1 35 LYS QD 1 40 THR H . . 3.810 2.956 2.726 3.113 . 0 0 "[ . 1 . 2]" 1 1297 1 38 ASP HB2 1 40 THR H . . 4.760 4.566 4.138 4.742 . 0 0 "[ . 1 . 2]" 1 1298 1 38 ASP HB3 1 40 THR H . . 4.760 3.458 3.371 3.599 . 0 0 "[ . 1 . 2]" 1 1299 1 35 LYS QE 1 40 THR H . . 4.420 4.209 4.035 4.411 . 0 0 "[ . 1 . 2]" 1 1300 1 38 ASP HA 1 40 THR H . . 4.710 4.459 4.356 4.621 . 0 0 "[ . 1 . 2]" 1 1301 1 39 ASP HA 1 40 THR H . . 3.220 2.945 2.872 2.996 . 0 0 "[ . 1 . 2]" 1 1302 1 35 LYS HA 1 40 THR H . . 4.690 4.571 4.361 4.690 0.000 9 0 "[ . 1 . 2]" 1 1303 1 36 ALA H 1 40 THR H . . 3.880 3.166 3.135 3.191 . 0 0 "[ . 1 . 2]" 1 1304 1 40 THR H 1 41 TRP H . . 4.480 4.444 4.418 4.472 . 0 0 "[ . 1 . 2]" 1 1305 1 39 ASP H 1 40 THR H . . 3.020 2.682 2.669 2.696 . 0 0 "[ . 1 . 2]" 1 1306 1 38 ASP H 1 40 THR H . . 3.610 3.095 2.999 3.190 . 0 0 "[ . 1 . 2]" 1 1307 1 41 TRP H 1 42 GLU H . . 4.380 4.214 4.170 4.286 . 0 0 "[ . 1 . 2]" 1 1308 1 36 ALA H 1 41 TRP H . . 4.830 4.585 4.480 4.723 . 0 0 "[ . 1 . 2]" 1 1309 1 80 LYS H 1 83 GLY H . . 4.510 4.476 4.462 4.503 . 0 0 "[ . 1 . 2]" 1 1310 1 80 LYS H 1 81 ALA H . . 3.390 2.395 2.386 2.410 . 0 0 "[ . 1 . 2]" 1 1311 1 41 TRP H 1 42 GLU HA . . 4.900 4.802 4.733 4.916 0.016 17 0 "[ . 1 . 2]" 1 1312 1 40 THR HA 1 41 TRP H . . 2.650 2.576 2.453 2.655 0.005 9 0 "[ . 1 . 2]" 1 1313 1 41 TRP H 1 41 TRP HB2 . . 3.140 2.640 2.588 2.675 . 0 0 "[ . 1 . 2]" 1 1314 1 41 TRP H 1 41 TRP HB3 . . 3.910 3.770 3.727 3.792 . 0 0 "[ . 1 . 2]" 1 1315 1 41 TRP H 1 42 GLU QG . . 4.920 4.805 4.745 4.918 . 0 0 "[ . 1 . 2]" 1 1316 1 80 LYS H 1 81 ALA MB . . 4.070 3.993 3.947 4.082 0.012 7 0 "[ . 1 . 2]" 1 1317 1 35 LYS QE 1 41 TRP HE1 . . 4.400 3.958 3.829 4.142 . 0 0 "[ . 1 . 2]" 1 1318 1 41 TRP HB2 1 41 TRP HE1 . . 4.890 4.764 4.756 4.767 . 0 0 "[ . 1 . 2]" 1 1319 1 41 TRP HE1 1 70 LYS QG . . 5.220 5.018 4.296 5.228 0.008 8 0 "[ . 1 . 2]" 1 1320 1 41 TRP HE1 1 94 VAL MG2 . . 4.500 4.259 4.116 4.406 . 0 0 "[ . 1 . 2]" 1 1321 1 41 TRP HE1 1 70 LYS HD3 . . 4.330 3.627 3.422 3.876 . 0 0 "[ . 1 . 2]" 1 1322 1 41 TRP HE1 1 70 LYS HD2 . . 5.240 4.761 4.552 5.090 . 0 0 "[ . 1 . 2]" 1 1323 1 35 LYS H 1 42 GLU H . . 4.910 4.907 4.789 4.927 0.017 12 0 "[ . 1 . 2]" 1 1324 1 41 TRP HE3 1 42 GLU H . . 4.000 3.947 3.651 4.004 0.004 17 0 "[ . 1 . 2]" 1 1325 1 33 PHE QD 1 42 GLU H . . 4.140 4.043 4.017 4.065 . 0 0 "[ . 1 . 2]" 1 1326 1 33 PHE HA 1 42 GLU H . . 4.910 4.731 4.689 4.757 . 0 0 "[ . 1 . 2]" 1 1327 1 41 TRP HA 1 42 GLU H . . 3.040 2.144 2.142 2.145 . 0 0 "[ . 1 . 2]" 1 1328 1 42 GLU H 1 43 PRO HD3 . . 5.210 5.078 5.056 5.082 . 0 0 "[ . 1 . 2]" 1 1329 1 42 GLU H 1 43 PRO HD2 . . 4.970 4.775 4.771 4.795 . 0 0 "[ . 1 . 2]" 1 1330 1 35 LYS HA 1 42 GLU H . . 3.970 3.882 3.796 3.940 . 0 0 "[ . 1 . 2]" 1 1331 1 33 PHE HB3 1 42 GLU H . . 4.140 3.363 3.305 3.400 . 0 0 "[ . 1 . 2]" 1 1332 1 41 TRP HB2 1 42 GLU H . . 4.470 4.332 4.310 4.372 . 0 0 "[ . 1 . 2]" 1 1333 1 41 TRP HB3 1 42 GLU H . . 3.720 3.580 3.558 3.590 . 0 0 "[ . 1 . 2]" 1 1334 1 42 GLU H 1 42 GLU QG . . 3.340 3.094 3.041 3.150 . 0 0 "[ . 1 . 2]" 1 1335 1 42 GLU H 1 42 GLU HB2 . . 3.190 2.271 2.230 2.294 . 0 0 "[ . 1 . 2]" 1 1336 1 34 ARG HB2 1 42 GLU H . . 5.340 5.138 5.068 5.244 . 0 0 "[ . 1 . 2]" 1 1337 1 36 ALA MB 1 42 GLU H . . 4.000 3.410 3.176 3.683 . 0 0 "[ . 1 . 2]" 1 1338 1 34 ARG HB3 1 42 GLU H . . 5.340 4.339 3.792 4.988 . 0 0 "[ . 1 . 2]" 1 1339 1 35 LYS QD 1 42 GLU H . . 5.330 5.258 5.138 5.324 . 0 0 "[ . 1 . 2]" 1 1340 1 44 PHE H 1 44 PHE QR . . 4.310 4.201 4.166 4.220 . 0 0 "[ . 1 . 2]" 1 1341 1 33 PHE QD 1 44 PHE H . . 4.270 4.020 3.951 4.070 . 0 0 "[ . 1 . 2]" 1 1342 1 33 PHE HA 1 44 PHE H . . 3.570 2.320 2.260 2.373 . 0 0 "[ . 1 . 2]" 1 1343 1 44 PHE H 1 45 ALA HA . . 4.800 4.609 4.582 4.639 . 0 0 "[ . 1 . 2]" 1 1344 1 43 PRO HA 1 44 PHE H . . 3.260 2.153 2.152 2.155 . 0 0 "[ . 1 . 2]" 1 1345 1 43 PRO HD2 1 44 PHE H . . 5.500 5.520 5.510 5.531 0.031 19 0 "[ . 1 . 2]" 1 1346 1 44 PHE H 1 44 PHE HB2 . . 3.720 2.909 2.853 2.945 . 0 0 "[ . 1 . 2]" 1 1347 1 44 PHE H 1 44 PHE HB3 . . 3.690 2.560 2.526 2.602 . 0 0 "[ . 1 . 2]" 1 1348 1 32 VAL H 1 45 ALA H . . 3.470 3.125 3.057 3.203 . 0 0 "[ . 1 . 2]" 1 1349 1 44 PHE H 1 45 ALA H . . 3.040 2.307 2.264 2.341 . 0 0 "[ . 1 . 2]" 1 1350 1 45 ALA H 1 46 SER H . . 4.460 4.381 4.378 4.384 . 0 0 "[ . 1 . 2]" 1 1351 1 44 PHE QR 1 45 ALA H . . 3.710 3.295 3.032 3.412 . 0 0 "[ . 1 . 2]" 1 1352 1 33 PHE QD 1 45 ALA H . . 5.350 5.230 5.156 5.311 . 0 0 "[ . 1 . 2]" 1 1353 1 33 PHE HA 1 45 ALA H . . 3.960 3.891 3.855 3.943 . 0 0 "[ . 1 . 2]" 1 1354 1 45 ALA H 1 46 SER HA . . 5.000 4.868 4.841 4.885 . 0 0 "[ . 1 . 2]" 1 1355 1 45 ALA H 1 46 SER HB3 . . 5.260 5.142 5.054 5.198 . 0 0 "[ . 1 . 2]" 1 1356 1 44 PHE HB2 1 45 ALA H . . 3.820 3.699 3.656 3.721 . 0 0 "[ . 1 . 2]" 1 1357 1 44 PHE HB3 1 45 ALA H . . 3.480 2.279 2.248 2.312 . 0 0 "[ . 1 . 2]" 1 1358 1 32 VAL HB 1 45 ALA H . . 3.280 2.493 2.439 2.565 . 0 0 "[ . 1 . 2]" 1 1359 1 45 ALA H 1 58 LEU HB3 . . 5.500 5.447 5.377 5.504 0.004 6 0 "[ . 1 . 2]" 1 1360 1 45 ALA H 1 45 ALA MB . . 3.030 2.754 2.729 2.782 . 0 0 "[ . 1 . 2]" 1 1361 1 32 VAL MG2 1 45 ALA H . . 4.000 3.881 3.812 3.938 . 0 0 "[ . 1 . 2]" 1 1362 1 45 ALA H 1 58 LEU MD2 . . 5.500 4.637 4.531 4.721 . 0 0 "[ . 1 . 2]" 1 1363 1 45 ALA HA 1 46 SER H . . 2.710 2.542 2.538 2.546 . 0 0 "[ . 1 . 2]" 1 1364 1 77 SER H 1 77 SER QB . . 2.990 2.402 2.089 2.561 . 0 0 "[ . 1 . 2]" 1 1365 1 46 SER H 1 46 SER HB3 . . 3.420 2.991 2.957 3.007 . 0 0 "[ . 1 . 2]" 1 1366 1 76 LYS QE 1 77 SER H . . 5.010 4.287 3.755 4.726 . 0 0 "[ . 1 . 2]" 1 1367 1 76 LYS QB 1 77 SER H . . 3.710 3.462 3.342 3.582 . 0 0 "[ . 1 . 2]" 1 1368 1 77 SER H 1 80 LYS HB3 . . 5.420 5.370 5.262 5.447 0.027 14 0 "[ . 1 . 2]" 1 1369 1 46 SER H 1 58 LEU HB3 . . 4.230 3.995 3.931 4.093 . 0 0 "[ . 1 . 2]" 1 1370 1 45 ALA MB 1 46 SER H . . 2.690 2.342 2.314 2.352 . 0 0 "[ . 1 . 2]" 1 1371 1 32 VAL MG2 1 46 SER H . . 4.190 4.206 4.201 4.212 0.022 19 0 "[ . 1 . 2]" 1 1372 1 46 SER H 1 58 LEU MD1 . . 4.190 3.997 3.585 4.209 0.019 12 0 "[ . 1 . 2]" 1 1373 1 32 VAL H 1 46 SER H . . 4.980 4.677 4.638 4.708 . 0 0 "[ . 1 . 2]" 1 1374 1 76 LYS H 1 77 SER H . . 3.600 2.767 2.704 2.824 . 0 0 "[ . 1 . 2]" 1 1375 1 77 SER H 1 78 TYR H . . 3.640 2.549 2.370 2.717 . 0 0 "[ . 1 . 2]" 1 1376 1 31 HIS H 1 47 GLY H . . 5.040 4.901 4.877 4.921 . 0 0 "[ . 1 . 2]" 1 1377 1 47 GLY H 1 48 LYS H . . 4.500 4.382 4.378 4.384 . 0 0 "[ . 1 . 2]" 1 1378 1 47 GLY H 1 48 LYS HA . . 4.780 4.639 4.638 4.641 . 0 0 "[ . 1 . 2]" 1 1379 1 46 SER HA 1 47 GLY H . . 3.130 2.293 2.260 2.313 . 0 0 "[ . 1 . 2]" 1 1380 1 31 HIS HA 1 47 GLY H . . 3.940 3.493 3.458 3.530 . 0 0 "[ . 1 . 2]" 1 1381 1 29 ALA HA 1 47 GLY H . . 5.320 4.841 4.768 4.895 . 0 0 "[ . 1 . 2]" 1 1382 1 30 VAL HA 1 47 GLY H . . 5.500 4.807 4.770 4.873 . 0 0 "[ . 1 . 2]" 1 1383 1 46 SER HB3 1 47 GLY H . . 4.190 4.089 4.034 4.158 . 0 0 "[ . 1 . 2]" 1 1384 1 31 HIS HB3 1 47 GLY H . . 5.500 5.516 5.505 5.526 0.026 12 0 "[ . 1 . 2]" 1 1385 1 30 VAL HB 1 47 GLY H . . 3.630 3.330 3.256 3.431 . 0 0 "[ . 1 . 2]" 1 1386 1 47 GLY H 1 48 LYS HG2 . . 5.500 5.522 5.506 5.555 0.055 19 0 "[ . 1 . 2]" 1 1387 1 47 GLY H 1 55 LEU HG . . 5.500 5.437 5.271 5.505 0.005 10 0 "[ . 1 . 2]" 1 1388 1 47 GLY H 1 58 LEU HG . . 5.500 5.507 5.504 5.517 0.017 4 0 "[ . 1 . 2]" 1 1389 1 47 GLY H 1 48 LYS HG3 . . 5.160 4.814 4.770 4.922 . 0 0 "[ . 1 . 2]" 1 1390 1 32 VAL MG2 1 47 GLY H . . 4.790 4.606 4.491 4.670 . 0 0 "[ . 1 . 2]" 1 1391 1 29 ALA HA 1 48 LYS H . . 5.180 5.141 5.034 5.182 0.002 17 0 "[ . 1 . 2]" 1 1392 1 47 GLY HA2 1 48 LYS H . . 2.870 2.544 2.504 2.607 . 0 0 "[ . 1 . 2]" 1 1393 1 47 GLY HA3 1 48 LYS H . . 2.890 2.580 2.518 2.621 . 0 0 "[ . 1 . 2]" 1 1394 1 48 LYS H 1 48 LYS QB . . 2.900 2.543 2.512 2.591 . 0 0 "[ . 1 . 2]" 1 1395 1 48 LYS H 1 48 LYS HG3 . . 3.490 2.957 2.864 2.980 . 0 0 "[ . 1 . 2]" 1 1396 1 48 LYS H 1 55 LEU MD2 . . 3.300 3.132 2.863 3.311 0.011 14 0 "[ . 1 . 2]" 1 1397 1 48 LYS H 1 55 LEU MD1 . . 3.300 2.534 2.292 2.803 . 0 0 "[ . 1 . 2]" 1 1398 1 28 VAL H 1 49 THR H . . 3.380 1.876 1.872 1.880 . 0 0 "[ . 1 . 2]" 1 1399 1 48 LYS HA 1 49 THR H . . 3.130 2.365 2.340 2.438 . 0 0 "[ . 1 . 2]" 1 1400 1 29 ALA HA 1 49 THR H . . 4.900 4.858 4.824 4.944 0.044 13 0 "[ . 1 . 2]" 1 1401 1 27 ASN HA 1 49 THR H . . 4.010 3.476 3.267 3.545 . 0 0 "[ . 1 . 2]" 1 1402 1 49 THR H 1 49 THR HB . . 3.890 3.670 3.655 3.709 . 0 0 "[ . 1 . 2]" 1 1403 1 28 VAL HB 1 49 THR H . . 3.920 2.691 2.619 3.004 . 0 0 "[ . 1 . 2]" 1 1404 1 48 LYS QB 1 49 THR H . . 3.280 2.481 2.322 2.538 . 0 0 "[ . 1 . 2]" 1 1405 1 48 LYS HG2 1 49 THR H . . 4.290 4.031 3.985 4.081 . 0 0 "[ . 1 . 2]" 1 1406 1 48 LYS HG3 1 49 THR H . . 4.800 4.828 4.809 4.845 0.045 10 0 "[ . 1 . 2]" 1 1407 1 49 THR H 1 49 THR MG . . 3.140 2.326 2.251 2.519 . 0 0 "[ . 1 . 2]" 1 1408 1 30 VAL MG2 1 49 THR H . . 4.270 3.657 3.576 3.886 . 0 0 "[ . 1 . 2]" 1 1409 1 28 VAL MG2 1 49 THR H . . 4.160 3.661 3.559 3.737 . 0 0 "[ . 1 . 2]" 1 1410 1 50 SER H 1 54 GLU H . . 4.130 3.385 3.222 3.533 . 0 0 "[ . 1 . 2]" 1 1411 1 50 SER H 1 50 SER HB2 . . 4.170 2.980 2.752 3.809 . 0 0 "[ . 1 . 2]" 1 1412 1 49 THR HB 1 50 SER H . . 3.460 2.267 2.212 2.343 . 0 0 "[ . 1 . 2]" 1 1413 1 49 THR HA 1 50 SER H . . 3.320 2.470 2.430 2.507 . 0 0 "[ . 1 . 2]" 1 1414 1 49 THR MG 1 50 SER H . . 3.790 3.695 3.670 3.749 . 0 0 "[ . 1 . 2]" 1 1415 1 50 SER H 1 51 GLU H . . 4.420 4.332 4.319 4.351 . 0 0 "[ . 1 . 2]" 1 1416 1 50 SER HA 1 51 GLU H . . 2.980 2.751 2.737 2.766 . 0 0 "[ . 1 . 2]" 1 1417 1 50 SER HB2 1 51 GLU H . . 3.380 2.539 1.919 2.762 . 0 0 "[ . 1 . 2]" 1 1418 1 50 SER HB3 1 51 GLU H . . 3.380 2.290 1.977 3.486 0.106 20 0 "[ . 1 . 2]" 1 1419 1 26 ILE HA 1 51 GLU H . . 5.240 4.719 4.635 4.830 . 0 0 "[ . 1 . 2]" 1 1420 1 51 GLU H 1 52 SER HB2 . . 5.500 4.854 4.531 5.520 0.020 14 0 "[ . 1 . 2]" 1 1421 1 51 GLU H 1 51 GLU QB . . 2.940 2.657 2.653 2.667 . 0 0 "[ . 1 . 2]" 1 1422 1 26 ILE HG12 1 51 GLU H . . 4.830 3.079 3.035 3.160 . 0 0 "[ . 1 . 2]" 1 1423 1 26 ILE HG13 1 51 GLU H . . 4.830 4.653 4.604 4.742 . 0 0 "[ . 1 . 2]" 1 1424 1 26 ILE MD 1 51 GLU H . . 3.980 3.248 3.195 3.326 . 0 0 "[ . 1 . 2]" 1 1425 1 26 ILE MG 1 51 GLU H . . 4.100 3.874 3.830 3.979 . 0 0 "[ . 1 . 2]" 1 1426 1 52 SER H 1 52 SER HB2 . . 3.440 2.542 2.230 3.171 . 0 0 "[ . 1 . 2]" 1 1427 1 24 PRO HB2 1 52 SER H . . 4.780 4.516 4.461 4.615 . 0 0 "[ . 1 . 2]" 1 1428 1 26 ILE MD 1 52 SER H . . 5.190 4.932 4.868 4.985 . 0 0 "[ . 1 . 2]" 1 1429 1 51 GLU H 1 53 GLY H . . 4.490 4.077 4.044 4.101 . 0 0 "[ . 1 . 2]" 1 1430 1 53 GLY H 1 54 GLU HA . . 5.360 5.172 5.075 5.205 . 0 0 "[ . 1 . 2]" 1 1431 1 52 SER HB3 1 53 GLY H . . 4.070 3.462 3.131 3.956 . 0 0 "[ . 1 . 2]" 1 1432 1 60 THR H 1 64 PHE QB . . 4.520 4.231 4.123 4.350 . 0 0 "[ . 1 . 2]" 1 1433 1 60 THR H 1 63 GLU HB3 . . 3.920 2.408 2.366 2.432 . 0 0 "[ . 1 . 2]" 1 1434 1 24 PRO HB2 1 53 GLY H . . 3.930 3.028 2.906 3.164 . 0 0 "[ . 1 . 2]" 1 1435 1 24 PRO HB3 1 53 GLY H . . 4.190 4.160 4.066 4.205 0.015 12 0 "[ . 1 . 2]" 1 1436 1 59 THR MG 1 60 THR H . . 3.670 3.339 3.292 3.372 . 0 0 "[ . 1 . 2]" 1 1437 1 49 THR MG 1 53 GLY H . . 5.120 4.852 4.816 4.900 . 0 0 "[ . 1 . 2]" 1 1438 1 52 SER HA 1 54 GLU H . . 4.430 4.244 4.214 4.379 . 0 0 "[ . 1 . 2]" 1 1439 1 52 SER HB3 1 54 GLU H . . 3.770 2.693 2.328 3.056 . 0 0 "[ . 1 . 2]" 1 1440 1 52 SER HB2 1 54 GLU H . . 4.390 3.698 2.863 4.265 . 0 0 "[ . 1 . 2]" 1 1441 1 53 GLY H 1 54 GLU H . . 3.310 2.581 2.460 2.599 . 0 0 "[ . 1 . 2]" 1 1442 1 16 VAL H 1 54 GLU H . . 5.290 5.058 4.993 5.098 . 0 0 "[ . 1 . 2]" 1 1443 1 15 LYS QD 1 54 GLU H . . 4.100 3.536 3.245 3.882 . 0 0 "[ . 1 . 2]" 1 1444 1 58 LEU H 1 59 THR H . . 3.960 2.700 2.308 2.861 . 0 0 "[ . 1 . 2]" 1 1445 1 58 LEU H 1 58 LEU HB3 . . 3.790 3.495 3.462 3.532 . 0 0 "[ . 1 . 2]" 1 1446 1 58 LEU H 1 58 LEU HG . . 3.810 2.975 2.721 3.345 . 0 0 "[ . 1 . 2]" 1 1447 1 58 LEU H 1 58 LEU HB2 . . 4.050 2.192 2.140 2.253 . 0 0 "[ . 1 . 2]" 1 1448 1 58 LEU H 1 58 LEU MD1 . . 4.300 3.827 3.640 3.949 . 0 0 "[ . 1 . 2]" 1 1449 1 58 LEU HB2 1 59 THR H . . 4.650 2.510 2.397 2.769 . 0 0 "[ . 1 . 2]" 1 1450 1 59 THR H 1 59 THR MG . . 4.240 3.325 3.226 3.406 . 0 0 "[ . 1 . 2]" 1 1451 1 58 LEU MD1 1 59 THR H . . 5.320 4.343 4.249 4.530 . 0 0 "[ . 1 . 2]" 1 1452 1 58 LEU MD2 1 59 THR H . . 5.320 4.468 4.398 4.603 . 0 0 "[ . 1 . 2]" 1 1453 1 60 THR HB 1 61 GLU H . . 3.920 2.187 2.107 2.299 . 0 0 "[ . 1 . 2]" 1 1454 1 61 GLU H 1 62 GLU HG3 . . 4.330 4.314 4.281 4.331 0.001 2 0 "[ . 1 . 2]" 1 1455 1 61 GLU H 1 62 GLU HG2 . . 4.330 4.169 4.143 4.205 . 0 0 "[ . 1 . 2]" 1 1456 1 61 GLU H 1 61 GLU QB . . 3.510 2.224 2.067 2.266 . 0 0 "[ . 1 . 2]" 1 1457 1 61 GLU H 1 62 GLU H . . 4.040 2.476 2.458 2.499 . 0 0 "[ . 1 . 2]" 1 1458 1 60 THR HA 1 62 GLU H . . 4.290 4.250 4.145 4.294 0.004 13 0 "[ . 1 . 2]" 1 1459 1 60 THR HB 1 62 GLU H . . 3.710 2.547 2.486 2.580 . 0 0 "[ . 1 . 2]" 1 1460 1 62 GLU H 1 63 GLU HA . . 5.110 5.090 5.019 5.113 0.003 4 0 "[ . 1 . 2]" 1 1461 1 61 GLU QB 1 62 GLU H . . 3.040 2.883 2.823 2.961 . 0 0 "[ . 1 . 2]" 1 1462 1 62 GLU H 1 62 GLU HB3 . . 3.680 3.611 3.604 3.628 . 0 0 "[ . 1 . 2]" 1 1463 1 60 THR MG 1 62 GLU H . . 4.170 4.153 4.116 4.171 0.001 4 0 "[ . 1 . 2]" 1 1464 1 62 GLU H 1 63 GLU H . . 4.380 2.421 2.342 2.451 . 0 0 "[ . 1 . 2]" 1 1465 1 63 GLU H 1 64 PHE H . . 4.210 2.203 2.156 2.256 . 0 0 "[ . 1 . 2]" 1 1466 1 63 GLU H 1 63 GLU HB3 . . 4.030 2.404 2.377 2.495 . 0 0 "[ . 1 . 2]" 1 1467 1 63 GLU H 1 63 GLU HB2 . . 4.030 2.886 2.777 2.929 . 0 0 "[ . 1 . 2]" 1 1468 1 62 GLU H 1 64 PHE H . . 4.580 3.851 3.816 3.888 . 0 0 "[ . 1 . 2]" 1 1469 1 64 PHE H 1 64 PHE QD . . 4.270 4.177 4.114 4.200 . 0 0 "[ . 1 . 2]" 1 1470 1 60 THR HB 1 64 PHE H . . 5.370 4.983 4.929 5.012 . 0 0 "[ . 1 . 2]" 1 1471 1 61 GLU HA 1 64 PHE H . . 4.030 3.315 3.255 3.414 . 0 0 "[ . 1 . 2]" 1 1472 1 64 PHE H 1 64 PHE QB . . 3.300 2.256 2.213 2.278 . 0 0 "[ . 1 . 2]" 1 1473 1 63 GLU QG 1 64 PHE H . . 3.870 3.697 3.659 3.843 . 0 0 "[ . 1 . 2]" 1 1474 1 63 GLU HB3 1 64 PHE H . . 4.330 2.900 2.874 2.913 . 0 0 "[ . 1 . 2]" 1 1475 1 60 THR MG 1 64 PHE H . . 5.500 5.487 5.432 5.507 0.007 18 0 "[ . 1 . 2]" 1 1476 1 64 PHE H 1 65 VAL MG1 . . 4.990 4.534 4.292 4.786 . 0 0 "[ . 1 . 2]" 1 1477 1 59 THR MG 1 64 PHE H . . 5.200 5.073 5.031 5.119 . 0 0 "[ . 1 . 2]" 1 1478 1 64 PHE QD 1 65 VAL H . . 4.060 3.846 3.225 4.063 0.003 15 0 "[ . 1 . 2]" 1 1479 1 65 VAL H 1 65 VAL HB . . 4.180 3.691 3.608 3.750 . 0 0 "[ . 1 . 2]" 1 1480 1 66 GLU H 1 67 GLY H . . 4.660 4.592 4.571 4.616 . 0 0 "[ . 1 . 2]" 1 1481 1 65 VAL H 1 66 GLU H . . 4.780 4.476 4.444 4.560 . 0 0 "[ . 1 . 2]" 1 1482 1 65 VAL HA 1 66 GLU H . . 3.030 2.585 2.553 2.594 . 0 0 "[ . 1 . 2]" 1 1483 1 65 VAL HB 1 66 GLU H . . 2.990 2.010 1.982 2.067 . 0 0 "[ . 1 . 2]" 1 1484 1 66 GLU H 1 66 GLU HB2 . . 3.710 3.205 2.296 3.666 . 0 0 "[ . 1 . 2]" 1 1485 1 67 GLY H 1 97 ALA H . . 4.080 3.778 3.466 3.952 . 0 0 "[ . 1 . 2]" 1 1486 1 67 GLY H 1 69 TYR QD . . 5.170 4.737 4.553 5.051 . 0 0 "[ . 1 . 2]" 1 1487 1 66 GLU HA 1 67 GLY H . . 3.440 2.393 2.283 2.432 . 0 0 "[ . 1 . 2]" 1 1488 1 66 GLU HB2 1 67 GLY H . . 4.130 3.015 2.389 4.127 . 0 0 "[ . 1 . 2]" 1 1489 1 66 GLU HB3 1 67 GLY H . . 4.130 3.662 3.070 4.000 . 0 0 "[ . 1 . 2]" 1 1490 1 67 GLY H 1 96 THR MG . . 5.050 5.009 4.830 5.054 0.004 8 0 "[ . 1 . 2]" 1 1491 1 67 GLY H 1 97 ALA MB . . 3.900 2.198 1.860 2.576 . 0 0 "[ . 1 . 2]" 1 1492 1 35 LYS H 1 68 ILE H . . 3.990 3.818 3.710 3.922 . 0 0 "[ . 1 . 2]" 1 1493 1 67 GLY H 1 68 ILE H . . 4.620 4.463 4.424 4.492 . 0 0 "[ . 1 . 2]" 1 1494 1 41 TRP HZ3 1 68 ILE H . . 5.230 4.873 4.751 5.048 . 0 0 "[ . 1 . 2]" 1 1495 1 68 ILE H 1 69 TYR QD . . 5.280 4.571 4.242 4.932 . 0 0 "[ . 1 . 2]" 1 1496 1 34 ARG HA 1 68 ILE H . . 5.500 5.452 5.342 5.506 0.006 18 0 "[ . 1 . 2]" 1 1497 1 125 PRO HA 1 126 LYS H . . 2.900 2.226 2.159 2.386 . 0 0 "[ . 1 . 2]" 1 1498 1 67 GLY HA3 1 68 ILE H . . 3.150 2.441 2.333 2.571 . 0 0 "[ . 1 . 2]" 1 1499 1 67 GLY HA2 1 68 ILE H . . 3.100 2.695 2.555 2.823 . 0 0 "[ . 1 . 2]" 1 1500 1 126 LYS H 1 127 GLU QG . . 4.500 3.801 2.832 4.481 . 0 0 "[ . 1 . 2]" 1 1501 1 126 LYS H 1 126 LYS HB3 . . 3.630 2.627 2.333 3.379 . 0 0 "[ . 1 . 2]" 1 1502 1 126 LYS H 1 126 LYS QD . . 3.620 2.643 1.963 3.658 0.038 14 0 "[ . 1 . 2]" 1 1503 1 68 ILE H 1 68 ILE HB . . 3.400 2.638 2.618 2.654 . 0 0 "[ . 1 . 2]" 1 1504 1 126 LYS H 1 126 LYS QG . . 3.570 2.567 1.914 3.296 . 0 0 "[ . 1 . 2]" 1 1505 1 68 ILE H 1 68 ILE HG13 . . 3.750 2.831 2.717 2.937 . 0 0 "[ . 1 . 2]" 1 1506 1 68 ILE H 1 68 ILE MG . . 3.840 3.817 3.794 3.839 . 0 0 "[ . 1 . 2]" 1 1507 1 68 ILE H 1 68 ILE MD . . 3.480 2.084 1.904 2.287 . 0 0 "[ . 1 . 2]" 1 1508 1 68 ILE H 1 69 TYR H . . 4.700 4.571 4.547 4.596 . 0 0 "[ . 1 . 2]" 1 1509 1 69 TYR H 1 97 ALA H . . 4.890 4.507 3.934 4.851 . 0 0 "[ . 1 . 2]" 1 1510 1 41 TRP HZ3 1 69 TYR H . . 4.510 3.573 3.409 3.680 . 0 0 "[ . 1 . 2]" 1 1511 1 69 TYR H 1 96 THR HA . . 4.190 3.443 3.224 3.625 . 0 0 "[ . 1 . 2]" 1 1512 1 68 ILE HA 1 69 TYR H . . 3.400 2.253 2.230 2.262 . 0 0 "[ . 1 . 2]" 1 1513 1 69 TYR H 1 69 TYR HB3 . . 4.200 3.809 3.712 3.853 . 0 0 "[ . 1 . 2]" 1 1514 1 69 TYR H 1 69 TYR HB2 . . 3.910 2.703 2.557 2.771 . 0 0 "[ . 1 . 2]" 1 1515 1 70 LYS H 1 71 VAL H . . 4.700 4.309 4.030 4.423 . 0 0 "[ . 1 . 2]" 1 1516 1 70 LYS H 1 95 PHE H . . 5.020 4.819 4.581 4.911 . 0 0 "[ . 1 . 2]" 1 1517 1 41 TRP HE3 1 70 LYS H . . 4.260 3.401 3.171 3.881 . 0 0 "[ . 1 . 2]" 1 1518 1 41 TRP HZ3 1 70 LYS H . . 3.780 3.509 3.317 3.787 0.007 4 0 "[ . 1 . 2]" 1 1519 1 69 TYR QD 1 70 LYS H . . 3.980 3.815 3.303 3.986 0.006 20 0 "[ . 1 . 2]" 1 1520 1 33 PHE HA 1 70 LYS H . . 5.230 4.540 4.454 4.633 . 0 0 "[ . 1 . 2]" 1 1521 1 69 TYR HA 1 70 LYS H . . 3.150 2.275 2.205 2.424 . 0 0 "[ . 1 . 2]" 1 1522 1 34 ARG HA 1 70 LYS H . . 3.880 3.468 3.425 3.526 . 0 0 "[ . 1 . 2]" 1 1523 1 33 PHE HB3 1 70 LYS H . . 4.830 4.365 4.210 4.739 . 0 0 "[ . 1 . 2]" 1 1524 1 33 PHE HB2 1 70 LYS H . . 4.180 3.277 3.118 3.677 . 0 0 "[ . 1 . 2]" 1 1525 1 69 TYR HB3 1 70 LYS H . . 3.830 2.778 2.385 2.992 . 0 0 "[ . 1 . 2]" 1 1526 1 69 TYR HB2 1 70 LYS H . . 4.060 3.945 3.722 4.063 0.003 3 0 "[ . 1 . 2]" 1 1527 1 32 VAL MG1 1 70 LYS H . . 3.810 3.697 3.365 3.811 0.001 3 0 "[ . 1 . 2]" 1 1528 1 70 LYS H 1 71 VAL MG2 . . 4.430 4.207 3.868 4.389 . 0 0 "[ . 1 . 2]" 1 1529 1 70 LYS H 1 70 LYS HB3 . . 3.680 2.723 2.629 2.986 . 0 0 "[ . 1 . 2]" 1 1530 1 70 LYS H 1 70 LYS HB2 . . 3.890 2.982 2.880 3.249 . 0 0 "[ . 1 . 2]" 1 1531 1 71 VAL H 1 92 GLU HA . . 4.750 4.687 4.489 4.771 0.021 7 0 "[ . 1 . 2]" 1 1532 1 71 VAL H 1 93 VAL HA . . 5.130 4.877 4.782 4.945 . 0 0 "[ . 1 . 2]" 1 1533 1 70 LYS HA 1 71 VAL H . . 3.420 2.151 2.139 2.172 . 0 0 "[ . 1 . 2]" 1 1534 1 71 VAL H 1 71 VAL HB . . 3.830 2.537 2.505 2.606 . 0 0 "[ . 1 . 2]" 1 1535 1 71 VAL H 1 92 GLU HB3 . . 5.500 5.080 4.902 5.229 . 0 0 "[ . 1 . 2]" 1 1536 1 71 VAL H 1 119 MET ME . . 5.500 5.473 5.402 5.512 0.012 19 0 "[ . 1 . 2]" 1 1537 1 71 VAL H 1 71 VAL MG2 . . 3.640 2.658 2.527 2.785 . 0 0 "[ . 1 . 2]" 1 1538 1 71 VAL H 1 94 VAL MG2 . . 4.540 4.288 4.103 4.519 . 0 0 "[ . 1 . 2]" 1 1539 1 71 VAL H 1 71 VAL MG1 . . 3.840 3.802 3.792 3.825 . 0 0 "[ . 1 . 2]" 1 1540 1 33 PHE QE 1 72 GLU H . . 4.610 4.485 4.253 4.597 . 0 0 "[ . 1 . 2]" 1 1541 1 33 PHE QD 1 72 GLU H . . 4.800 4.222 3.964 4.314 . 0 0 "[ . 1 . 2]" 1 1542 1 72 GLU H 1 92 GLU HA . . 4.830 4.803 4.705 4.868 0.038 7 0 "[ . 1 . 2]" 1 1543 1 32 VAL HA 1 72 GLU H . . 4.030 3.726 3.589 3.790 . 0 0 "[ . 1 . 2]" 1 1544 1 71 VAL HA 1 72 GLU H . . 3.290 2.187 2.151 2.225 . 0 0 "[ . 1 . 2]" 1 1545 1 30 VAL HA 1 72 GLU H . . 4.840 4.533 4.422 4.656 . 0 0 "[ . 1 . 2]" 1 1546 1 31 HIS HB2 1 72 GLU H . . 4.680 3.262 3.187 3.318 . 0 0 "[ . 1 . 2]" 1 1547 1 72 GLU H 1 72 GLU HB3 . . 4.110 3.691 3.390 3.788 . 0 0 "[ . 1 . 2]" 1 1548 1 72 GLU H 1 72 GLU HG2 . . 4.710 3.974 3.688 4.553 . 0 0 "[ . 1 . 2]" 1 1549 1 72 GLU H 1 72 GLU HB2 . . 3.760 2.585 2.420 2.676 . 0 0 "[ . 1 . 2]" 1 1550 1 32 VAL MG1 1 72 GLU H . . 5.490 5.116 4.986 5.174 . 0 0 "[ . 1 . 2]" 1 1551 1 71 VAL MG2 1 72 GLU H . . 4.140 3.895 3.840 3.962 . 0 0 "[ . 1 . 2]" 1 1552 1 71 VAL MG1 1 72 GLU H . . 3.470 2.413 2.206 2.606 . 0 0 "[ . 1 . 2]" 1 1553 1 72 GLU HB3 1 73 ILE H . . 4.560 3.473 3.272 3.795 . 0 0 "[ . 1 . 2]" 1 1554 1 72 GLU HB2 1 73 ILE H . . 4.560 4.340 4.138 4.569 0.009 18 0 "[ . 1 . 2]" 1 1555 1 73 ILE H 1 73 ILE HG12 . . 4.400 3.569 3.476 3.690 . 0 0 "[ . 1 . 2]" 1 1556 1 73 ILE H 1 75 THR MG . . 4.980 4.894 4.790 4.988 0.008 17 0 "[ . 1 . 2]" 1 1557 1 73 ILE H 1 73 ILE HG13 . . 4.360 2.412 2.324 2.554 . 0 0 "[ . 1 . 2]" 1 1558 1 71 VAL MG1 1 73 ILE H . . 4.510 3.824 3.646 4.097 . 0 0 "[ . 1 . 2]" 1 1559 1 30 VAL MG1 1 73 ILE H . . 4.560 4.461 4.271 4.564 0.004 19 0 "[ . 1 . 2]" 1 1560 1 73 ILE H 1 73 ILE MG . . 4.780 3.854 3.842 3.882 . 0 0 "[ . 1 . 2]" 1 1561 1 73 ILE HA 1 74 ASP H . . 3.350 2.168 2.140 2.193 . 0 0 "[ . 1 . 2]" 1 1562 1 30 VAL HA 1 74 ASP H . . 3.830 3.403 3.310 3.554 . 0 0 "[ . 1 . 2]" 1 1563 1 74 ASP H 1 74 ASP HB2 . . 3.620 2.381 2.206 2.568 . 0 0 "[ . 1 . 2]" 1 1564 1 74 ASP H 1 74 ASP HB3 . . 3.620 3.344 2.827 3.626 0.006 11 0 "[ . 1 . 2]" 1 1565 1 73 ILE H 1 73 ILE HB . . 4.030 2.676 2.659 2.718 . 0 0 "[ . 1 . 2]" 1 1566 1 73 ILE HB 1 91 ALA H . . 4.100 3.036 2.942 3.154 . 0 0 "[ . 1 . 2]" 1 1567 1 29 ALA MB 1 74 ASP H . . 3.780 3.482 3.237 3.600 . 0 0 "[ . 1 . 2]" 1 1568 1 75 THR MG 1 91 ALA H . . 3.950 3.158 2.941 3.339 . 0 0 "[ . 1 . 2]" 1 1569 1 73 ILE HG13 1 91 ALA H . . 4.650 4.633 4.531 4.659 0.009 1 0 "[ . 1 . 2]" 1 1570 1 73 ILE MG 1 74 ASP H . . 3.340 2.433 2.089 2.714 . 0 0 "[ . 1 . 2]" 1 1571 1 90 HIS HB2 1 91 ALA H . . 3.620 2.403 2.279 2.694 . 0 0 "[ . 1 . 2]" 1 1572 1 74 ASP H 1 75 THR HA . . 5.280 4.857 4.791 4.932 . 0 0 "[ . 1 . 2]" 1 1573 1 28 VAL HA 1 74 ASP H . . 5.500 4.934 4.784 5.351 . 0 0 "[ . 1 . 2]" 1 1574 1 90 HIS HA 1 91 ALA H . . 3.360 2.419 2.301 2.472 . 0 0 "[ . 1 . 2]" 1 1575 1 72 GLU HA 1 91 ALA H . . 5.130 4.646 4.531 4.816 . 0 0 "[ . 1 . 2]" 1 1576 1 90 HIS H 1 91 ALA H . . 4.620 4.406 4.367 4.443 . 0 0 "[ . 1 . 2]" 1 1577 1 73 ILE H 1 91 ALA H . . 3.990 3.032 2.861 3.174 . 0 0 "[ . 1 . 2]" 1 1578 1 75 THR H 1 90 HIS HA . . 3.760 2.773 2.613 2.926 . 0 0 "[ . 1 . 2]" 1 1579 1 74 ASP HA 1 75 THR H . . 3.230 2.296 2.218 2.321 . 0 0 "[ . 1 . 2]" 1 1580 1 75 THR H 1 90 HIS HB3 . . 4.310 3.897 3.710 4.006 . 0 0 "[ . 1 . 2]" 1 1581 1 75 THR H 1 76 LYS QB . . 4.920 4.587 4.217 4.797 . 0 0 "[ . 1 . 2]" 1 1582 1 73 ILE HB 1 75 THR H . . 4.890 4.219 4.112 4.522 . 0 0 "[ . 1 . 2]" 1 1583 1 75 THR H 1 111 LEU HG . . 5.500 5.349 5.186 5.513 0.013 12 0 "[ . 1 . 2]" 1 1584 1 75 THR H 1 91 ALA MB . . 4.970 4.404 4.262 4.669 . 0 0 "[ . 1 . 2]" 1 1585 1 75 THR H 1 75 THR MG . . 3.490 1.939 1.906 2.069 . 0 0 "[ . 1 . 2]" 1 1586 1 73 ILE MG 1 75 THR H . . 4.320 3.384 3.198 3.622 . 0 0 "[ . 1 . 2]" 1 1587 1 75 THR HB 1 76 LYS H . . 4.790 4.102 4.024 4.141 . 0 0 "[ . 1 . 2]" 1 1588 1 76 LYS H 1 90 HIS HA . . 4.530 3.904 3.662 4.110 . 0 0 "[ . 1 . 2]" 1 1589 1 74 ASP HA 1 76 LYS H . . 4.020 3.299 3.234 3.361 . 0 0 "[ . 1 . 2]" 1 1590 1 76 LYS H 1 77 SER QB . . 4.920 4.782 4.516 4.936 0.016 3 0 "[ . 1 . 2]" 1 1591 1 76 LYS H 1 90 HIS HB3 . . 4.670 4.504 4.225 4.672 0.002 17 0 "[ . 1 . 2]" 1 1592 1 76 LYS H 1 76 LYS QE . . 5.090 4.409 2.176 4.973 . 0 0 "[ . 1 . 2]" 1 1593 1 76 LYS H 1 78 TYR HB3 . . 5.500 5.508 5.223 5.552 0.052 12 0 "[ . 1 . 2]" 1 1594 1 76 LYS H 1 76 LYS QB . . 2.990 2.424 2.242 2.527 . 0 0 "[ . 1 . 2]" 1 1595 1 76 LYS H 1 76 LYS QD . . 4.230 3.675 1.986 4.143 . 0 0 "[ . 1 . 2]" 1 1596 1 76 LYS H 1 76 LYS HG2 . . 4.000 3.250 2.978 3.677 . 0 0 "[ . 1 . 2]" 1 1597 1 75 THR MG 1 76 LYS H . . 4.180 3.773 3.749 3.817 . 0 0 "[ . 1 . 2]" 1 1598 1 76 LYS H 1 79 TRP HD1 . . 4.880 3.586 3.362 3.735 . 0 0 "[ . 1 . 2]" 1 1599 1 76 LYS H 1 76 LYS HG3 . . 4.000 2.536 2.120 3.977 . 0 0 "[ . 1 . 2]" 1 1600 1 78 TYR H 1 80 LYS H . . 4.310 3.853 3.813 4.117 . 0 0 "[ . 1 . 2]" 1 1601 1 78 TYR H 1 78 TYR QR . . 4.820 4.156 4.105 4.165 . 0 0 "[ . 1 . 2]" 1 1602 1 77 SER QB 1 78 TYR H . . 3.970 2.773 2.432 2.886 . 0 0 "[ . 1 . 2]" 1 1603 1 78 TYR H 1 78 TYR HB3 . . 3.650 2.525 2.322 2.586 . 0 0 "[ . 1 . 2]" 1 1604 1 78 TYR H 1 78 TYR HB2 . . 3.740 2.648 2.593 2.892 . 0 0 "[ . 1 . 2]" 1 1605 1 76 LYS QB 1 78 TYR H . . 5.500 5.028 4.923 5.508 0.008 7 0 "[ . 1 . 2]" 1 1606 1 28 VAL MG1 1 78 TYR H . . 5.500 4.799 4.482 5.060 . 0 0 "[ . 1 . 2]" 1 1607 1 79 TRP H 1 80 LYS H . . 3.580 2.398 2.364 2.437 . 0 0 "[ . 1 . 2]" 1 1608 1 78 TYR H 1 79 TRP H . . 3.420 2.347 2.322 2.696 . 0 0 "[ . 1 . 2]" 1 1609 1 75 THR HB 1 79 TRP H . . 4.850 4.591 4.484 4.764 . 0 0 "[ . 1 . 2]" 1 1610 1 76 LYS HA 1 79 TRP H . . 3.860 3.302 3.107 3.732 . 0 0 "[ . 1 . 2]" 1 1611 1 79 TRP H 1 79 TRP HB3 . . 3.940 3.604 3.586 3.610 . 0 0 "[ . 1 . 2]" 1 1612 1 79 TRP H 1 79 TRP HB2 . . 3.940 2.422 2.367 2.441 . 0 0 "[ . 1 . 2]" 1 1613 1 78 TYR HB2 1 79 TRP H . . 4.190 4.031 3.982 4.168 . 0 0 "[ . 1 . 2]" 1 1614 1 76 LYS QB 1 79 TRP H . . 5.180 4.779 4.566 5.067 . 0 0 "[ . 1 . 2]" 1 1615 1 79 TRP H 1 80 LYS HB3 . . 4.510 4.515 4.385 4.548 0.038 9 0 "[ . 1 . 2]" 1 1616 1 76 LYS QD 1 79 TRP H . . 5.500 5.170 4.997 5.444 . 0 0 "[ . 1 . 2]" 1 1617 1 79 TRP H 1 84 ILE HB . . 5.500 5.362 5.325 5.399 . 0 0 "[ . 1 . 2]" 1 1618 1 79 TRP H 1 84 ILE MG . . 5.500 5.267 5.174 5.351 . 0 0 "[ . 1 . 2]" 1 1619 1 78 TYR HB3 1 79 TRP H . . 3.650 2.942 2.924 2.990 . 0 0 "[ . 1 . 2]" 1 1620 1 79 TRP HB3 1 80 LYS H . . 4.860 3.930 3.906 3.962 . 0 0 "[ . 1 . 2]" 1 1621 1 80 LYS H 1 80 LYS HB3 . . 3.250 2.455 2.301 2.474 . 0 0 "[ . 1 . 2]" 1 1622 1 80 LYS H 1 80 LYS QD . . 4.440 4.194 4.178 4.279 . 0 0 "[ . 1 . 2]" 1 1623 1 79 TRP H 1 81 ALA H . . 4.580 3.919 3.903 3.989 . 0 0 "[ . 1 . 2]" 1 1624 1 81 ALA H 1 82 LEU H . . 3.170 2.617 2.594 2.650 . 0 0 "[ . 1 . 2]" 1 1625 1 79 TRP HA 1 81 ALA H . . 4.170 3.913 3.865 3.957 . 0 0 "[ . 1 . 2]" 1 1626 1 77 SER QB 1 81 ALA H . . 5.500 5.518 5.491 5.542 0.042 16 0 "[ . 1 . 2]" 1 1627 1 80 LYS HB2 1 81 ALA H . . 4.420 4.207 4.190 4.295 . 0 0 "[ . 1 . 2]" 1 1628 1 80 LYS HG2 1 81 ALA H . . 4.390 3.960 3.939 4.077 . 0 0 "[ . 1 . 2]" 1 1629 1 81 ALA H 1 81 ALA MB . . 2.750 2.093 2.031 2.221 . 0 0 "[ . 1 . 2]" 1 1630 1 81 ALA H 1 82 LEU MD1 . . 5.390 3.240 3.196 3.330 . 0 0 "[ . 1 . 2]" 1 1631 1 81 ALA H 1 82 LEU MD2 . . 5.390 5.211 5.191 5.239 . 0 0 "[ . 1 . 2]" 1 1632 1 82 LEU H 1 82 LEU HB2 . . 3.880 3.430 3.414 3.448 . 0 0 "[ . 1 . 2]" 1 1633 1 82 LEU H 1 82 LEU HB3 . . 4.170 3.445 3.427 3.465 . 0 0 "[ . 1 . 2]" 1 1634 1 81 ALA MB 1 82 LEU H . . 3.040 2.732 2.629 2.787 . 0 0 "[ . 1 . 2]" 1 1635 1 82 LEU H 1 83 GLY HA2 . . 4.470 4.317 4.312 4.320 . 0 0 "[ . 1 . 2]" 1 1636 1 80 LYS H 1 82 LEU H . . 4.380 4.279 4.257 4.323 . 0 0 "[ . 1 . 2]" 1 1637 1 82 LEU H 1 84 ILE H . . 3.890 3.792 3.777 3.803 . 0 0 "[ . 1 . 2]" 1 1638 1 81 ALA H 1 83 GLY H . . 3.740 3.670 3.644 3.691 . 0 0 "[ . 1 . 2]" 1 1639 1 82 LEU H 1 83 GLY H . . 2.940 2.000 1.995 2.004 . 0 0 "[ . 1 . 2]" 1 1640 1 83 GLY H 1 83 GLY HA3 . . 2.940 2.919 2.917 2.922 . 0 0 "[ . 1 . 2]" 1 1641 1 83 GLY H 1 83 GLY HA2 . . 2.880 2.353 2.351 2.358 . 0 0 "[ . 1 . 2]" 1 1642 1 80 LYS HB2 1 83 GLY H . . 5.440 5.171 5.138 5.217 . 0 0 "[ . 1 . 2]" 1 1643 1 82 LEU HB2 1 83 GLY H . . 3.600 3.538 3.510 3.562 . 0 0 "[ . 1 . 2]" 1 1644 1 81 ALA MB 1 83 GLY H . . 4.470 4.321 4.285 4.338 . 0 0 "[ . 1 . 2]" 1 1645 1 83 GLY H 1 84 ILE MD . . 4.270 3.534 3.448 3.602 . 0 0 "[ . 1 . 2]" 1 1646 1 84 ILE HA 1 85 SER H . . 2.780 2.209 2.203 2.215 . 0 0 "[ . 1 . 2]" 1 1647 1 85 SER H 1 85 SER HB2 . . 3.090 2.315 2.275 2.363 . 0 0 "[ . 1 . 2]" 1 1648 1 85 SER H 1 85 SER HB3 . . 3.090 2.787 2.727 2.838 . 0 0 "[ . 1 . 2]" 1 1649 1 36 ALA HA 1 37 ALA H . . 3.170 2.633 2.622 2.641 . 0 0 "[ . 1 . 2]" 1 1650 1 118 THR HA 1 119 MET H . . 3.270 2.171 2.143 2.225 . 0 0 "[ . 1 . 2]" 1 1651 1 8 SER HA 1 9 LYS H . . 2.930 2.432 2.144 2.921 . 0 0 "[ . 1 . 2]" 1 1652 1 109 ALA HA 1 119 MET H . . 5.390 4.937 4.789 5.219 . 0 0 "[ . 1 . 2]" 1 1653 1 37 ALA H 1 40 THR H . . 4.960 4.860 4.799 4.951 . 0 0 "[ . 1 . 2]" 1 1654 1 85 SER H 1 114 TYR QE . . 4.440 4.373 4.135 4.458 0.018 19 0 "[ . 1 . 2]" 1 1655 1 30 VAL H 1 31 HIS H . . 4.500 4.452 4.440 4.468 . 0 0 "[ . 1 . 2]" 1 1656 1 119 MET H 1 119 MET HB2 . . 3.650 3.079 2.813 3.409 . 0 0 "[ . 1 . 2]" 1 1657 1 9 LYS H 1 9 LYS HB2 . . 3.750 2.603 2.208 3.092 . 0 0 "[ . 1 . 2]" 1 1658 1 84 ILE HB 1 85 SER H . . 4.180 4.269 4.264 4.273 0.093 10 0 "[ . 1 . 2]" 1 1659 1 37 ALA H 1 37 ALA MB . . 2.590 2.190 2.078 2.283 . 0 0 "[ . 1 . 2]" 1 1660 1 84 ILE HG13 1 85 SER H . . 3.600 3.357 3.290 3.461 . 0 0 "[ . 1 . 2]" 1 1661 1 84 ILE MD 1 85 SER H . . 3.870 3.889 3.873 3.899 0.029 7 0 "[ . 1 . 2]" 1 1662 1 84 ILE MG 1 85 SER H . . 3.090 2.370 2.343 2.387 . 0 0 "[ . 1 . 2]" 1 1663 1 87 MET H 1 88 HIS H . . 3.820 2.271 2.130 2.847 . 0 0 "[ . 1 . 2]" 1 1664 1 87 MET H 1 87 MET HG2 . . 4.030 2.978 2.278 3.986 . 0 0 "[ . 1 . 2]" 1 1665 1 87 MET H 1 87 MET HG3 . . 4.030 3.478 2.531 4.035 0.005 1 0 "[ . 1 . 2]" 1 1666 1 87 MET H 1 87 MET HB2 . . 3.680 2.441 2.173 2.604 . 0 0 "[ . 1 . 2]" 1 1667 1 87 MET H 1 87 MET HB3 . . 3.680 3.624 3.483 3.678 . 0 0 "[ . 1 . 2]" 1 1668 1 87 MET HB2 1 88 HIS H . . 4.310 2.857 2.383 3.042 . 0 0 "[ . 1 . 2]" 1 1669 1 87 MET HB3 1 88 HIS H . . 4.310 3.751 3.103 3.992 . 0 0 "[ . 1 . 2]" 1 1670 1 90 HIS H 1 90 HIS HB3 . . 4.090 3.481 3.383 3.588 . 0 0 "[ . 1 . 2]" 1 1671 1 90 HIS H 1 90 HIS HB2 . . 4.030 3.840 3.779 3.915 . 0 0 "[ . 1 . 2]" 1 1672 1 92 GLU H 1 92 GLU HG2 . . 3.930 3.555 3.195 3.982 0.052 11 0 "[ . 1 . 2]" 1 1673 1 92 GLU H 1 92 GLU HB2 . . 4.020 2.755 2.721 2.811 . 0 0 "[ . 1 . 2]" 1 1674 1 92 GLU H 1 92 GLU HG3 . . 3.930 2.649 2.481 2.756 . 0 0 "[ . 1 . 2]" 1 1675 1 92 GLU H 1 92 GLU HB3 . . 3.840 3.763 3.725 3.787 . 0 0 "[ . 1 . 2]" 1 1676 1 91 ALA MB 1 92 GLU H . . 3.630 3.277 3.262 3.297 . 0 0 "[ . 1 . 2]" 1 1677 1 92 GLU H 1 93 VAL MG2 . . 4.370 3.842 3.738 3.941 . 0 0 "[ . 1 . 2]" 1 1678 1 71 VAL H 1 93 VAL H . . 3.780 3.038 2.906 3.116 . 0 0 "[ . 1 . 2]" 1 1679 1 93 VAL H 1 95 PHE QD . . 5.500 5.476 5.240 5.516 0.016 7 0 "[ . 1 . 2]" 1 1680 1 92 GLU HA 1 93 VAL H . . 3.160 2.166 2.154 2.203 . 0 0 "[ . 1 . 2]" 1 1681 1 72 GLU HA 1 93 VAL H . . 4.010 3.750 3.625 3.818 . 0 0 "[ . 1 . 2]" 1 1682 1 93 VAL H 1 93 VAL HB . . 3.760 2.801 2.767 2.867 . 0 0 "[ . 1 . 2]" 1 1683 1 71 VAL HB 1 93 VAL H . . 4.050 3.594 3.459 3.799 . 0 0 "[ . 1 . 2]" 1 1684 1 92 GLU HB2 1 93 VAL H . . 4.280 3.978 3.798 4.054 . 0 0 "[ . 1 . 2]" 1 1685 1 92 GLU HB3 1 93 VAL H . . 3.300 3.219 3.069 3.298 . 0 0 "[ . 1 . 2]" 1 1686 1 93 VAL H 1 93 VAL MG1 . . 4.130 3.916 3.894 3.943 . 0 0 "[ . 1 . 2]" 1 1687 1 71 VAL MG1 1 93 VAL H . . 4.630 4.209 4.089 4.381 . 0 0 "[ . 1 . 2]" 1 1688 1 93 VAL HB 1 94 VAL H . . 4.210 3.924 3.829 4.015 . 0 0 "[ . 1 . 2]" 1 1689 1 94 VAL H 1 94 VAL HB . . 3.470 2.576 2.546 2.615 . 0 0 "[ . 1 . 2]" 1 1690 1 93 VAL MG1 1 94 VAL H . . 3.270 2.242 2.118 2.371 . 0 0 "[ . 1 . 2]" 1 1691 1 93 VAL HA 1 94 VAL H . . 3.280 2.223 2.192 2.247 . 0 0 "[ . 1 . 2]" 1 1692 1 93 VAL H 1 94 VAL H . . 4.530 4.380 4.339 4.425 . 0 0 "[ . 1 . 2]" 1 1693 1 94 VAL HB 1 95 PHE H . . 4.300 4.120 4.072 4.185 . 0 0 "[ . 1 . 2]" 1 1694 1 94 VAL MG1 1 95 PHE H . . 3.300 2.391 2.199 2.646 . 0 0 "[ . 1 . 2]" 1 1695 1 68 ILE MG 1 95 PHE H . . 3.440 3.166 3.013 3.346 . 0 0 "[ . 1 . 2]" 1 1696 1 94 VAL HA 1 95 PHE H . . 3.120 2.166 2.148 2.179 . 0 0 "[ . 1 . 2]" 1 1697 1 41 TRP HH2 1 95 PHE H . . 5.090 4.846 4.579 5.092 0.002 19 0 "[ . 1 . 2]" 1 1698 1 95 PHE H 1 95 PHE QE . . 4.540 4.503 4.419 4.551 0.011 17 0 "[ . 1 . 2]" 1 1699 1 71 VAL H 1 95 PHE H . . 4.680 4.541 4.422 4.687 0.007 9 0 "[ . 1 . 2]" 1 1700 1 69 TYR H 1 95 PHE H . . 4.130 2.974 2.851 3.101 . 0 0 "[ . 1 . 2]" 1 1701 1 94 VAL H 1 95 PHE H . . 4.510 4.442 4.381 4.484 . 0 0 "[ . 1 . 2]" 1 1702 1 95 PHE QB 1 96 THR H . . 3.550 3.308 3.103 3.493 . 0 0 "[ . 1 . 2]" 1 1703 1 95 PHE QD 1 96 THR H . . 4.870 4.558 4.433 4.694 . 0 0 "[ . 1 . 2]" 1 1704 1 96 THR H 1 97 ALA H . . 4.660 4.482 4.338 4.601 . 0 0 "[ . 1 . 2]" 1 1705 1 95 PHE H 1 96 THR H . . 4.560 4.254 4.144 4.352 . 0 0 "[ . 1 . 2]" 1 1706 1 95 PHE HA 1 96 THR H . . 3.210 2.144 2.138 2.163 . 0 0 "[ . 1 . 2]" 1 1707 1 96 THR H 1 96 THR HB . . 3.470 2.609 2.494 2.787 . 0 0 "[ . 1 . 2]" 1 1708 1 96 THR H 1 96 THR MG . . 3.910 3.816 3.773 3.858 . 0 0 "[ . 1 . 2]" 1 1709 1 68 ILE MG 1 96 THR H . . 3.980 3.605 3.379 3.827 . 0 0 "[ . 1 . 2]" 1 1710 1 68 ILE H 1 97 ALA H . . 4.810 4.330 4.137 4.527 . 0 0 "[ . 1 . 2]" 1 1711 1 69 TYR QD 1 97 ALA H . . 4.690 4.251 3.638 4.588 . 0 0 "[ . 1 . 2]" 1 1712 1 96 THR HA 1 97 ALA H . . 3.420 2.170 2.143 2.256 . 0 0 "[ . 1 . 2]" 1 1713 1 68 ILE HA 1 97 ALA H . . 4.090 2.703 2.267 3.022 . 0 0 "[ . 1 . 2]" 1 1714 1 96 THR HB 1 97 ALA H . . 4.540 4.073 3.626 4.317 . 0 0 "[ . 1 . 2]" 1 1715 1 68 ILE HG12 1 97 ALA H . . 4.670 4.611 4.441 4.674 0.004 16 0 "[ . 1 . 2]" 1 1716 1 100 SER H 1 101 GLY H . . 4.790 3.742 2.238 4.630 . 0 0 "[ . 1 . 2]" 1 1717 1 105 TYR QR 1 106 THR H . . 4.840 3.637 2.791 4.304 . 0 0 "[ . 1 . 2]" 1 1718 1 13 MET QB 1 106 THR H . . 4.940 4.451 4.124 4.935 . 0 0 "[ . 1 . 2]" 1 1719 1 106 THR H 1 106 THR MG . . 4.280 3.846 3.785 3.890 . 0 0 "[ . 1 . 2]" 1 1720 1 107 ILE H 1 108 ALA HA . . 5.290 4.981 4.895 5.124 . 0 0 "[ . 1 . 2]" 1 1721 1 106 THR HA 1 107 ILE H . . 3.370 2.212 2.185 2.235 . 0 0 "[ . 1 . 2]" 1 1722 1 107 ILE H 1 107 ILE HB . . 3.870 2.598 2.535 2.653 . 0 0 "[ . 1 . 2]" 1 1723 1 107 ILE H 1 107 ILE HG13 . . 4.260 3.974 3.812 4.111 . 0 0 "[ . 1 . 2]" 1 1724 1 107 ILE H 1 107 ILE MG . . 3.920 3.830 3.802 3.856 . 0 0 "[ . 1 . 2]" 1 1725 1 107 ILE H 1 107 ILE MD . . 4.230 3.478 3.322 3.677 . 0 0 "[ . 1 . 2]" 1 1726 1 107 ILE H 1 107 ILE HG12 . . 4.380 2.571 2.356 2.770 . 0 0 "[ . 1 . 2]" 1 1727 1 108 ALA H 1 120 ALA H . . 4.110 3.887 3.422 4.111 0.001 17 0 "[ . 1 . 2]" 1 1728 1 107 ILE HB 1 108 ALA H . . 4.760 4.268 4.180 4.409 . 0 0 "[ . 1 . 2]" 1 1729 1 108 ALA HA 1 109 ALA H . . 3.430 2.145 2.141 2.151 . 0 0 "[ . 1 . 2]" 1 1730 1 109 ALA H 1 110 MET HG2 . . 5.350 5.287 5.068 5.356 0.006 11 0 "[ . 1 . 2]" 1 1731 1 17 LEU HB2 1 109 ALA H . . 5.500 4.299 4.110 4.448 . 0 0 "[ . 1 . 2]" 1 1732 1 109 ALA H 1 120 ALA MB . . 5.260 5.056 4.914 5.261 0.001 11 0 "[ . 1 . 2]" 1 1733 1 109 ALA H 1 109 ALA MB . . 3.280 2.456 2.372 2.557 . 0 0 "[ . 1 . 2]" 1 1734 1 107 ILE MG 1 109 ALA H . . 4.300 4.074 3.822 4.301 0.001 18 0 "[ . 1 . 2]" 1 1735 1 109 ALA HA 1 110 MET H . . 3.230 2.203 2.173 2.236 . 0 0 "[ . 1 . 2]" 1 1736 1 110 MET H 1 110 MET HB2 . . 3.700 2.412 2.371 2.508 . 0 0 "[ . 1 . 2]" 1 1737 1 110 MET H 1 110 MET HB3 . . 3.810 3.620 3.597 3.684 . 0 0 "[ . 1 . 2]" 1 1738 1 110 MET H 1 111 LEU MD1 . . 4.270 4.169 3.966 4.245 . 0 0 "[ . 1 . 2]" 1 1739 1 110 MET HA 1 111 LEU H . . 3.300 2.229 2.178 2.255 . 0 0 "[ . 1 . 2]" 1 1740 1 111 LEU H 1 111 LEU HG . . 4.590 4.511 4.448 4.554 . 0 0 "[ . 1 . 2]" 1 1741 1 109 ALA MB 1 111 LEU H . . 5.240 5.211 5.051 5.256 0.016 16 0 "[ . 1 . 2]" 1 1742 1 16 VAL MG1 1 111 LEU H . . 4.590 4.607 4.598 4.614 0.024 13 0 "[ . 1 . 2]" 1 1743 1 111 LEU H 1 111 LEU MD2 . . 3.990 3.938 3.805 4.000 0.010 4 0 "[ . 1 . 2]" 1 1744 1 79 TRP HZ2 1 111 LEU H . . 5.350 5.326 5.300 5.350 . 0 0 "[ . 1 . 2]" 1 1745 1 18 ASP H 1 111 LEU H . . 5.160 4.413 4.352 4.490 . 0 0 "[ . 1 . 2]" 1 1746 1 17 LEU H 1 111 LEU H . . 4.860 4.332 4.265 4.388 . 0 0 "[ . 1 . 2]" 1 1747 1 111 LEU H 1 112 SER H . . 5.280 4.382 4.319 4.497 . 0 0 "[ . 1 . 2]" 1 1748 1 110 MET H 1 111 LEU H . . 4.540 4.486 4.395 4.526 . 0 0 "[ . 1 . 2]" 1 1749 1 19 ALA H 1 112 SER H . . 5.020 4.692 4.559 4.875 . 0 0 "[ . 1 . 2]" 1 1750 1 79 TRP HH2 1 112 SER H . . 5.420 5.436 5.421 5.457 0.037 18 0 "[ . 1 . 2]" 1 1751 1 79 TRP HZ2 1 112 SER H . . 4.420 4.094 3.918 4.196 . 0 0 "[ . 1 . 2]" 1 1752 1 112 SER H 1 112 SER HB2 . . 3.950 3.485 3.018 3.861 . 0 0 "[ . 1 . 2]" 1 1753 1 112 SER H 1 112 SER HB3 . . 3.950 3.540 3.140 3.792 . 0 0 "[ . 1 . 2]" 1 1754 1 111 LEU HB2 1 112 SER H . . 4.490 4.471 4.306 4.526 0.036 17 0 "[ . 1 . 2]" 1 1755 1 111 LEU HB3 1 112 SER H . . 4.490 3.544 3.194 3.687 . 0 0 "[ . 1 . 2]" 1 1756 1 111 LEU HG 1 112 SER H . . 4.460 4.002 3.732 4.200 . 0 0 "[ . 1 . 2]" 1 1757 1 111 LEU MD1 1 112 SER H . . 3.810 3.852 3.836 3.868 0.058 17 0 "[ . 1 . 2]" 1 1758 1 112 SER HA 1 114 TYR H . . 4.310 3.598 3.333 3.695 . 0 0 "[ . 1 . 2]" 1 1759 1 114 TYR H 1 115 SER HA . . 5.360 5.163 4.613 5.287 . 0 0 "[ . 1 . 2]" 1 1760 1 114 TYR H 1 114 TYR HB2 . . 3.790 2.651 2.598 2.725 . 0 0 "[ . 1 . 2]" 1 1761 1 114 TYR H 1 114 TYR HB3 . . 3.790 3.623 3.597 3.715 . 0 0 "[ . 1 . 2]" 1 1762 1 20 VAL MG2 1 114 TYR H . . 4.210 3.447 3.276 3.554 . 0 0 "[ . 1 . 2]" 1 1763 1 84 ILE MG 1 114 TYR H . . 5.500 5.432 5.252 5.515 0.015 7 0 "[ . 1 . 2]" 1 1764 1 114 TYR H 1 114 TYR QE . . 4.640 4.099 3.955 4.543 . 0 0 "[ . 1 . 2]" 1 1765 1 68 ILE HA 1 96 THR H . . 4.870 4.718 4.598 4.834 . 0 0 "[ . 1 . 2]" 1 1766 1 114 TYR HB2 1 115 SER H . . 4.260 2.228 1.918 3.124 . 0 0 "[ . 1 . 2]" 1 1767 1 114 TYR HB3 1 115 SER H . . 4.260 3.512 3.265 4.176 . 0 0 "[ . 1 . 2]" 1 1768 1 112 SER HA 1 115 SER H . . 4.700 4.213 3.910 4.473 . 0 0 "[ . 1 . 2]" 1 1769 1 114 TYR H 1 115 SER H . . 3.390 2.628 2.446 2.798 . 0 0 "[ . 1 . 2]" 1 1770 1 110 MET H 1 118 THR H . . 4.410 3.772 3.422 4.459 0.049 19 0 "[ . 1 . 2]" 1 1771 1 118 THR H 1 118 THR HB . . 3.850 3.277 2.993 3.851 0.001 19 0 "[ . 1 . 2]" 1 1772 1 110 MET HB2 1 118 THR H . . 4.330 3.533 3.093 4.357 0.027 19 0 "[ . 1 . 2]" 1 1773 1 110 MET HB3 1 118 THR H . . 5.320 4.375 3.828 5.219 . 0 0 "[ . 1 . 2]" 1 1774 1 118 THR H 1 119 MET HB2 . . 5.500 4.598 3.950 4.887 . 0 0 "[ . 1 . 2]" 1 1775 1 118 THR H 1 118 THR MG . . 4.170 3.858 3.458 4.049 . 0 0 "[ . 1 . 2]" 1 1776 1 111 LEU MD1 1 118 THR H . . 5.240 5.120 4.824 5.288 0.048 16 0 "[ . 1 . 2]" 1 1777 1 109 ALA HA 1 120 ALA H . . 4.270 3.091 2.703 3.425 . 0 0 "[ . 1 . 2]" 1 1778 1 107 ILE HA 1 120 ALA H . . 5.500 5.193 4.866 5.484 . 0 0 "[ . 1 . 2]" 1 1779 1 119 MET H 1 120 ALA H . . 4.560 4.219 4.023 4.428 . 0 0 "[ . 1 . 2]" 1 1780 1 120 ALA H 1 121 VAL H . . 5.000 4.305 4.115 4.521 . 0 0 "[ . 1 . 2]" 1 1781 1 108 ALA MB 1 120 ALA H . . 3.990 3.763 3.392 3.975 . 0 0 "[ . 1 . 2]" 1 1782 1 119 MET HB3 1 120 ALA H . . 4.470 3.831 2.813 4.381 . 0 0 "[ . 1 . 2]" 1 1783 1 119 MET HB2 1 120 ALA H . . 4.660 4.271 4.042 4.517 . 0 0 "[ . 1 . 2]" 1 1784 1 107 ILE MG 1 120 ALA H . . 4.810 3.492 3.117 3.802 . 0 0 "[ . 1 . 2]" 1 1785 1 120 ALA H 1 121 VAL MG2 . . 5.500 4.031 3.701 4.414 . 0 0 "[ . 1 . 2]" 1 1786 1 121 VAL H 1 121 VAL HB . . 3.410 2.685 2.568 2.766 . 0 0 "[ . 1 . 2]" 1 1787 1 121 VAL H 1 122 VAL MG2 . . 4.410 4.372 4.250 4.426 0.016 17 0 "[ . 1 . 2]" 1 1788 1 121 VAL H 1 121 VAL MG2 . . 3.540 2.685 2.509 2.915 . 0 0 "[ . 1 . 2]" 1 1789 1 121 VAL MG1 1 122 VAL H . . 4.470 2.377 2.049 2.945 . 0 0 "[ . 1 . 2]" 1 1790 1 107 ILE HA 1 122 VAL H . . 4.710 4.167 3.314 4.516 . 0 0 "[ . 1 . 2]" 1 1791 1 125 PRO HA 1 127 GLU H . . 3.990 3.433 3.223 3.658 . 0 0 "[ . 1 . 2]" 1 1792 1 126 LYS H 1 127 GLU H . . 3.340 2.546 2.098 2.757 . 0 0 "[ . 1 . 2]" 1 1793 1 126 LYS QE 1 127 GLU H . . 4.440 3.874 3.359 4.447 0.007 19 0 "[ . 1 . 2]" 1 1794 1 125 PRO HB2 1 127 GLU H . . 3.990 3.572 2.946 3.991 0.001 12 0 "[ . 1 . 2]" 1 1795 1 127 GLU H 1 127 GLU QG . . 3.220 2.183 2.022 2.969 . 0 0 "[ . 1 . 2]" 1 1796 1 126 LYS QD 1 127 GLU H . . 3.210 2.300 1.938 2.740 . 0 0 "[ . 1 . 2]" 1 1797 1 21 ARG HB2 1 23 SER H . . 3.770 2.572 2.522 2.609 . 0 0 "[ . 1 . 2]" 1 1798 1 17 LEU HB3 1 23 SER H . . 5.500 4.991 4.871 5.083 . 0 0 "[ . 1 . 2]" 1 1799 1 12 LEU H 1 13 MET H . . 4.480 4.282 4.057 4.511 0.031 2 0 "[ . 1 . 2]" 1 1800 1 15 LYS H 1 107 ILE HB . . 4.130 3.485 3.168 3.654 . 0 0 "[ . 1 . 2]" 1 1801 1 15 LYS H 1 15 LYS HB3 . . 3.810 2.687 2.602 2.755 . 0 0 "[ . 1 . 2]" 1 1802 1 15 LYS H 1 15 LYS HB2 . . 3.930 2.720 2.563 2.934 . 0 0 "[ . 1 . 2]" 1 1803 1 15 LYS H 1 15 LYS QG . . 4.100 4.102 4.069 4.129 0.029 12 0 "[ . 1 . 2]" 1 1804 1 15 LYS H 1 108 ALA HA . . 3.740 3.530 3.248 3.673 . 0 0 "[ . 1 . 2]" 1 1805 1 14 VAL HA 1 15 LYS H . . 3.330 2.143 2.138 2.148 . 0 0 "[ . 1 . 2]" 1 1806 1 34 ARG HD2 1 34 ARG QH1 . . 3.930 2.381 1.952 3.396 . 0 0 "[ . 1 . 2]" 1 1807 1 34 ARG HD3 1 34 ARG QH1 . . 3.930 2.666 1.940 3.427 . 0 0 "[ . 1 . 2]" 1 1808 1 2 PRO QD 1 3 THR H . . 4.050 2.654 2.601 2.688 . 0 0 "[ . 1 . 2]" 1 1809 1 3 THR HA 1 4 GLY H . . 3.060 2.446 2.147 3.459 0.399 20 0 "[ . 1 . 2]" 1 1810 1 5 THR HA 1 6 GLY H . . 3.060 2.379 2.154 2.975 . 0 0 "[ . 1 . 2]" 1 1811 1 3 THR HB 1 4 GLY H . . 3.650 2.642 1.951 3.787 0.137 20 0 "[ . 1 . 2]" 1 1812 1 4 GLY QA 1 5 THR H . . 2.830 2.238 2.109 2.506 . 0 0 "[ . 1 . 2]" 1 1813 1 7 GLU QG 1 8 SER H . . 3.890 3.328 2.171 3.861 . 0 0 "[ . 1 . 2]" 1 1814 1 7 GLU HB2 1 8 SER H . . 4.320 2.894 1.953 4.293 . 0 0 "[ . 1 . 2]" 1 1815 1 7 GLU HB3 1 8 SER H . . 4.320 3.686 2.172 4.247 . 0 0 "[ . 1 . 2]" 1 1816 1 10 CYS QB 1 12 LEU H . . 4.800 2.571 2.191 3.798 . 0 0 "[ . 1 . 2]" 1 1817 1 16 VAL HB 1 17 LEU H . . 4.620 4.398 4.379 4.419 . 0 0 "[ . 1 . 2]" 1 1818 1 17 LEU H 1 17 LEU HB2 . . 3.930 2.341 2.328 2.356 . 0 0 "[ . 1 . 2]" 1 1819 1 17 LEU H 1 109 ALA MB . . 4.080 3.804 3.400 4.015 . 0 0 "[ . 1 . 2]" 1 1820 1 16 VAL HA 1 17 LEU H . . 3.400 2.180 2.178 2.181 . 0 0 "[ . 1 . 2]" 1 1821 1 17 LEU HB2 1 18 ASP H . . 4.220 4.072 4.047 4.085 . 0 0 "[ . 1 . 2]" 1 1822 1 17 LEU HG 1 18 ASP H . . 4.660 3.365 3.192 3.637 . 0 0 "[ . 1 . 2]" 1 1823 1 17 LEU HB3 1 18 ASP H . . 3.620 2.800 2.744 2.830 . 0 0 "[ . 1 . 2]" 1 1824 1 18 ASP H 1 25 ALA MB . . 4.690 4.422 4.358 4.462 . 0 0 "[ . 1 . 2]" 1 1825 1 18 ASP H 1 24 PRO HD3 . . 5.400 5.196 5.154 5.268 . 0 0 "[ . 1 . 2]" 1 1826 1 18 ASP H 1 22 GLY HA2 . . 5.020 4.505 4.430 4.581 . 0 0 "[ . 1 . 2]" 1 1827 1 18 ASP H 1 24 PRO HA . . 3.800 3.343 3.303 3.407 . 0 0 "[ . 1 . 2]" 1 1828 1 17 LEU HA 1 18 ASP H . . 3.040 2.341 2.337 2.345 . 0 0 "[ . 1 . 2]" 1 1829 1 16 VAL MG2 1 25 ALA H . . 5.500 5.165 5.136 5.207 . 0 0 "[ . 1 . 2]" 1 1830 1 25 ALA H 1 28 VAL MG1 . . 5.500 5.486 5.391 5.517 0.017 4 0 "[ . 1 . 2]" 1 1831 1 27 ASN HD21 1 48 LYS QB . . 4.190 4.055 4.032 4.092 . 0 0 "[ . 1 . 2]" 1 1832 1 26 ILE MG 1 27 ASN HD21 . . 3.770 1.819 1.817 1.820 . 0 0 "[ . 1 . 2]" 1 1833 1 26 ILE HB 1 27 ASN HD21 . . 4.790 4.252 4.249 4.255 . 0 0 "[ . 1 . 2]" 1 1834 1 27 ASN HA 1 27 ASN HD21 . . 4.380 2.413 2.406 2.420 . 0 0 "[ . 1 . 2]" 1 1835 1 34 ARG QH1 1 65 VAL HB . . 5.390 4.729 3.829 5.392 0.002 11 0 "[ . 1 . 2]" 1 1836 1 34 ARG HB2 1 34 ARG QH1 . . 4.400 3.686 1.996 4.403 0.003 14 0 "[ . 1 . 2]" 1 1837 1 34 ARG QG 1 34 ARG QH1 . . 3.930 2.864 1.919 3.846 . 0 0 "[ . 1 . 2]" 1 1838 1 34 ARG HB3 1 34 ARG QH1 . . 4.400 3.881 3.005 4.406 0.006 12 0 "[ . 1 . 2]" 1 1839 1 34 ARG QH1 1 65 VAL MG2 . . 4.090 2.604 1.928 3.352 . 0 0 "[ . 1 . 2]" 1 1840 1 41 TRP HZ2 1 94 VAL HB . . 5.110 5.089 4.913 5.117 0.007 19 0 "[ . 1 . 2]" 1 1841 1 35 LYS HB2 1 41 TRP HZ2 . . 4.570 4.476 4.396 4.562 . 0 0 "[ . 1 . 2]" 1 1842 1 41 TRP HZ2 1 94 VAL MG1 . . 3.510 2.922 2.789 3.164 . 0 0 "[ . 1 . 2]" 1 1843 1 41 TRP HZ2 1 94 VAL MG2 . . 3.270 2.833 2.627 3.009 . 0 0 "[ . 1 . 2]" 1 1844 1 41 TRP H 1 41 TRP HD1 . . 3.520 3.277 3.082 3.563 0.043 9 0 "[ . 1 . 2]" 1 1845 1 40 THR HA 1 41 TRP HD1 . . 4.150 3.854 3.786 4.106 . 0 0 "[ . 1 . 2]" 1 1846 1 41 TRP HB2 1 41 TRP HD1 . . 3.380 2.590 2.563 2.597 . 0 0 "[ . 1 . 2]" 1 1847 1 41 TRP HD1 1 70 LYS HD3 . . 4.380 3.758 3.554 3.943 . 0 0 "[ . 1 . 2]" 1 1848 1 79 TRP HH2 1 113 PRO HD2 . . 5.140 3.426 3.285 3.531 . 0 0 "[ . 1 . 2]" 1 1849 1 79 TRP HH2 1 113 PRO HD3 . . 5.140 3.051 2.330 3.304 . 0 0 "[ . 1 . 2]" 1 1850 1 21 ARG QD 1 79 TRP HH2 . . 4.490 4.508 4.492 4.528 0.038 18 0 "[ . 1 . 2]" 1 1851 1 21 ARG HG3 1 79 TRP HH2 . . 4.500 4.031 3.850 4.255 . 0 0 "[ . 1 . 2]" 1 1852 1 79 TRP HH2 1 84 ILE HG12 . . 4.980 4.794 4.517 4.979 . 0 0 "[ . 1 . 2]" 1 1853 1 41 TRP HZ3 1 68 ILE HB . . 4.360 2.993 2.860 3.131 . 0 0 "[ . 1 . 2]" 1 1854 1 79 TRP HZ2 1 112 SER HA . . 4.140 3.961 3.779 4.199 0.059 16 0 "[ . 1 . 2]" 1 1855 1 79 TRP HZ2 1 113 PRO HA . . 5.270 5.163 4.324 5.298 0.028 13 0 "[ . 1 . 2]" 1 1856 1 79 TRP HZ2 1 111 LEU HB2 . . 3.820 3.668 3.544 3.697 . 0 0 "[ . 1 . 2]" 1 1857 1 79 TRP HZ2 1 111 LEU HB3 . . 3.820 1.984 1.965 1.995 . 0 0 "[ . 1 . 2]" 1 1858 1 20 VAL MG2 1 79 TRP HZ2 . . 4.740 4.450 4.241 4.707 . 0 0 "[ . 1 . 2]" 1 1859 1 79 TRP HZ2 1 111 LEU MD1 . . 4.910 4.553 4.504 4.608 . 0 0 "[ . 1 . 2]" 1 1860 1 79 TRP HZ2 1 111 LEU MD2 . . 4.100 3.239 3.129 3.347 . 0 0 "[ . 1 . 2]" 1 1861 1 79 TRP H 1 79 TRP HD1 . . 4.300 3.533 3.509 3.557 . 0 0 "[ . 1 . 2]" 1 1862 1 76 LYS QB 1 79 TRP HD1 . . 3.940 3.841 3.558 3.958 0.018 11 0 "[ . 1 . 2]" 1 1863 1 75 THR MG 1 79 TRP HD1 . . 4.490 4.393 4.321 4.506 0.016 7 0 "[ . 1 . 2]" 1 1864 1 75 THR HB 1 79 TRP HD1 . . 3.840 3.317 3.214 3.405 . 0 0 "[ . 1 . 2]" 1 1865 1 79 TRP HA 1 79 TRP HD1 . . 4.850 4.647 4.610 4.666 . 0 0 "[ . 1 . 2]" 1 1866 1 76 LYS HA 1 79 TRP HD1 . . 4.090 2.326 2.061 2.432 . 0 0 "[ . 1 . 2]" 1 1867 1 32 VAL HA 1 33 PHE QD . . 4.230 3.186 3.123 3.249 . 0 0 "[ . 1 . 2]" 1 1868 1 33 PHE QD 1 43 PRO HD2 . . 4.560 4.466 4.447 4.493 . 0 0 "[ . 1 . 2]" 1 1869 1 33 PHE QD 1 41 TRP HB2 . . 4.110 3.945 3.901 4.012 . 0 0 "[ . 1 . 2]" 1 1870 1 33 PHE QD 1 42 GLU HB3 . . 5.180 4.852 4.835 4.868 . 0 0 "[ . 1 . 2]" 1 1871 1 33 PHE QD 1 43 PRO HB3 . . 4.330 3.941 3.873 3.959 . 0 0 "[ . 1 . 2]" 1 1872 1 33 PHE QD 1 72 GLU HB2 . . 4.850 4.320 3.672 4.686 . 0 0 "[ . 1 . 2]" 1 1873 1 32 VAL HB 1 44 PHE QR . . 3.830 2.623 2.436 2.857 . 0 0 "[ . 1 . 2]" 1 1874 1 44 PHE QR 1 63 GLU QG . . 4.340 2.510 2.047 3.174 . 0 0 "[ . 1 . 2]" 1 1875 1 44 PHE QR 1 65 VAL MG2 . . 4.750 3.407 3.009 3.812 . 0 0 "[ . 1 . 2]" 1 1876 1 44 PHE QR 1 58 LEU MD1 . . 4.830 3.871 3.664 4.052 . 0 0 "[ . 1 . 2]" 1 1877 1 44 PHE QR 1 64 PHE QB . . 4.360 3.707 3.396 3.947 . 0 0 "[ . 1 . 2]" 1 1878 1 44 PHE QR 1 59 THR MG . . 4.150 2.593 2.388 3.010 . 0 0 "[ . 1 . 2]" 1 1879 1 44 PHE QR 1 58 LEU MD2 . . 4.830 4.713 4.505 4.888 0.058 5 0 "[ . 1 . 2]" 1 1880 1 44 PHE QR 1 64 PHE H . . 5.130 4.406 3.931 4.821 . 0 0 "[ . 1 . 2]" 1 1881 1 34 ARG H 1 44 PHE QR . . 4.960 4.949 4.790 4.993 0.033 10 0 "[ . 1 . 2]" 1 1882 1 55 LEU H 1 56 HIS HD2 . . 4.010 3.845 3.025 4.014 0.004 17 0 "[ . 1 . 2]" 1 1883 1 64 PHE HA 1 64 PHE QD . . 4.040 3.017 2.848 3.106 . 0 0 "[ . 1 . 2]" 1 1884 1 69 TYR H 1 69 TYR QD . . 3.780 2.993 2.877 3.168 . 0 0 "[ . 1 . 2]" 1 1885 1 34 ARG HA 1 69 TYR QD . . 4.380 2.927 2.678 3.223 . 0 0 "[ . 1 . 2]" 1 1886 1 32 VAL MG1 1 69 TYR QD . . 3.530 2.667 2.385 2.892 . 0 0 "[ . 1 . 2]" 1 1887 1 69 TYR QD 1 97 ALA MB . . 3.680 3.383 2.837 3.681 0.001 2 0 "[ . 1 . 2]" 1 1888 1 90 HIS HD2 1 91 ALA H . . 4.680 4.093 3.954 4.307 . 0 0 "[ . 1 . 2]" 1 1889 1 90 HIS HD2 1 92 GLU H . . 4.890 3.806 3.717 3.884 . 0 0 "[ . 1 . 2]" 1 1890 1 90 HIS H 1 90 HIS HD2 . . 4.310 3.314 3.113 3.553 . 0 0 "[ . 1 . 2]" 1 1891 1 90 HIS HD2 1 92 GLU HB3 . . 5.120 4.955 4.658 5.118 . 0 0 "[ . 1 . 2]" 1 1892 1 90 HIS HD2 1 91 ALA MB . . 5.480 4.987 4.895 5.125 . 0 0 "[ . 1 . 2]" 1 1893 1 90 HIS HA 1 90 HIS HD2 . . 4.450 4.329 4.244 4.423 . 0 0 "[ . 1 . 2]" 1 1894 1 71 VAL MG2 1 95 PHE QD . . 3.740 2.872 2.744 3.018 . 0 0 "[ . 1 . 2]" 1 1895 1 95 PHE QD 1 121 VAL MG2 . . 3.700 2.912 2.368 3.390 . 0 0 "[ . 1 . 2]" 1 1896 1 70 LYS HA 1 95 PHE QD . . 4.210 3.455 3.196 3.583 . 0 0 "[ . 1 . 2]" 1 1897 1 95 PHE H 1 95 PHE QD . . 3.740 2.503 2.412 2.578 . 0 0 "[ . 1 . 2]" 1 1898 1 93 VAL MG2 1 95 PHE QE . . 3.920 3.836 3.727 3.920 . 2 0 "[ . 1 . 2]" 1 1899 1 95 PHE QE 1 107 ILE MG . . 3.800 2.726 2.146 3.197 . 0 0 "[ . 1 . 2]" 1 1900 1 70 LYS HA 1 95 PHE QE . . 4.780 4.316 4.106 4.475 . 0 0 "[ . 1 . 2]" 1 1901 1 94 VAL HA 1 95 PHE QE . . 5.300 4.353 4.286 4.426 . 0 0 "[ . 1 . 2]" 1 1902 1 71 VAL HA 1 95 PHE QE . . 4.770 4.712 4.575 4.772 0.002 5 0 "[ . 1 . 2]" 1 1903 1 71 VAL HB 1 95 PHE QD . . 4.610 3.954 3.725 4.185 . 0 0 "[ . 1 . 2]" 1 1904 1 95 PHE QD 1 121 VAL HB . . 5.140 4.719 4.345 5.142 0.002 19 0 "[ . 1 . 2]" 1 1905 1 114 TYR HA 1 114 TYR QD . . 3.010 2.820 2.362 2.990 . 0 0 "[ . 1 . 2]" 1 1906 1 114 TYR H 1 114 TYR QD . . 3.620 2.465 2.206 3.243 . 0 0 "[ . 1 . 2]" 1 1907 1 20 VAL MG2 1 114 TYR QD . . 3.620 2.148 1.954 2.398 . 0 0 "[ . 1 . 2]" 1 1908 1 113 PRO HB2 1 114 TYR QD . . 4.550 4.262 3.558 4.498 . 0 0 "[ . 1 . 2]" 1 1909 1 20 VAL MG1 1 114 TYR QE . . 3.430 2.709 1.946 3.265 . 0 0 "[ . 1 . 2]" 1 1910 1 84 ILE MD 1 114 TYR QE . . 4.770 4.782 4.696 4.816 0.046 16 0 "[ . 1 . 2]" 1 1911 1 84 ILE MG 1 114 TYR QE . . 3.660 3.294 3.047 3.660 . 0 0 "[ . 1 . 2]" 1 1912 1 116 TYR H 1 116 TYR QD . . 3.930 2.197 1.947 3.924 . 0 0 "[ . 1 . 2]" 1 1913 1 116 TYR HA 1 116 TYR QD . . 3.910 3.694 2.911 3.741 . 0 0 "[ . 1 . 2]" 1 1914 1 116 TYR QD 1 118 THR MG . . 4.480 3.824 3.464 4.558 0.078 19 0 "[ . 1 . 2]" 1 1915 1 116 TYR QE 1 118 THR MG . . 3.890 2.861 2.176 3.784 . 0 0 "[ . 1 . 2]" 1 1916 1 41 TRP HE3 1 69 TYR HA . . 4.090 3.480 3.343 3.635 . 0 0 "[ . 1 . 2]" 1 1917 1 41 TRP HA 1 41 TRP HE3 . . 3.610 2.737 2.516 2.785 . 0 0 "[ . 1 . 2]" 1 1918 1 35 LYS HA 1 41 TRP HE3 . . 4.020 2.937 2.755 3.074 . 0 0 "[ . 1 . 2]" 1 1919 1 33 PHE HB3 1 41 TRP HE3 . . 3.990 3.478 3.349 3.529 . 0 0 "[ . 1 . 2]" 1 1920 1 41 TRP HB3 1 41 TRP HE3 . . 3.790 2.727 2.705 2.830 . 0 0 "[ . 1 . 2]" 1 1921 1 35 LYS HB2 1 41 TRP HE3 . . 4.110 3.634 3.513 3.745 . 0 0 "[ . 1 . 2]" 1 1922 1 35 LYS HB3 1 41 TRP HE3 . . 4.650 4.652 4.622 4.669 0.019 4 0 "[ . 1 . 2]" 1 1923 1 93 VAL MG1 1 95 PHE HZ . . 4.170 2.559 2.405 2.662 . 0 0 "[ . 1 . 2]" 1 1924 1 93 VAL MG2 1 95 PHE HZ . . 4.360 3.416 3.216 3.552 . 0 0 "[ . 1 . 2]" 1 1925 1 95 PHE HZ 1 107 ILE MG . . 4.020 2.981 2.304 3.431 . 0 0 "[ . 1 . 2]" 1 1926 1 95 PHE HZ 1 121 VAL MG2 . . 4.530 3.825 3.220 4.355 . 0 0 "[ . 1 . 2]" 1 1927 1 59 THR MG 1 64 PHE QD . . 4.510 4.281 3.952 4.495 . 0 0 "[ . 1 . 2]" 1 1928 1 31 HIS HB3 1 31 HIS HD2 . . 3.650 3.239 3.218 3.265 . 0 0 "[ . 1 . 2]" 1 1929 1 29 ALA MB 1 31 HIS HD2 . . 4.180 4.190 4.185 4.198 0.018 11 0 "[ . 1 . 2]" 1 1930 1 31 HIS HD2 1 46 SER HB2 . . 3.530 2.721 2.610 2.797 . 0 0 "[ . 1 . 2]" 1 1931 1 31 HIS HD2 1 46 SER HB3 . . 4.350 4.046 3.941 4.149 . 0 0 "[ . 1 . 2]" 1 1932 1 31 HIS HA 1 31 HIS HD2 . . 3.680 2.771 2.736 2.811 . 0 0 "[ . 1 . 2]" 1 1933 1 31 HIS HD2 1 47 GLY H . . 4.040 3.432 3.343 3.538 . 0 0 "[ . 1 . 2]" 1 1934 1 31 HIS HD2 1 32 VAL H . . 5.270 4.816 4.791 4.858 . 0 0 "[ . 1 . 2]" 1 1935 1 31 HIS H 1 31 HIS HD2 . . 4.090 3.978 3.934 4.043 . 0 0 "[ . 1 . 2]" 1 1936 1 95 PHE HA 1 95 PHE QD . . 3.930 3.071 3.062 3.086 . 0 0 "[ . 1 . 2]" 1 1937 1 1 GLY QA 1 2 PRO HG2 . . 4.330 4.047 4.006 4.065 . 0 0 "[ . 1 . 2]" 1 1938 1 5 THR MG 1 6 GLY QA . . 5.030 4.243 3.562 5.023 . 0 0 "[ . 1 . 2]" 1 1939 1 6 GLY QA 1 7 GLU H . . 2.620 2.237 2.111 2.609 . 0 0 "[ . 1 . 2]" 1 1940 1 6 GLY QA 1 7 GLU QB . . 4.450 4.104 3.852 4.441 . 0 0 "[ . 1 . 2]" 1 1941 1 7 GLU H 1 7 GLU QB . . 2.780 2.548 2.043 2.781 0.001 14 0 "[ . 1 . 2]" 1 1942 1 7 GLU HA 1 7 GLU QB . . 2.590 2.249 2.174 2.538 . 0 0 "[ . 1 . 2]" 1 1943 1 7 GLU QB 1 8 SER H . . 3.450 2.605 1.943 3.146 . 0 0 "[ . 1 . 2]" 1 1944 1 7 GLU QB 1 8 SER HA . . 4.890 4.310 3.856 4.795 . 0 0 "[ . 1 . 2]" 1 1945 1 9 LYS H 1 9 LYS QG . . 4.640 3.226 2.213 4.128 . 0 0 "[ . 1 . 2]" 1 1946 1 9 LYS HA 1 9 LYS QG . . 2.820 2.448 2.169 2.713 . 0 0 "[ . 1 . 2]" 1 1947 1 9 LYS QB 1 9 LYS QG . . 2.260 2.058 2.018 2.088 . 0 0 "[ . 1 . 2]" 1 1948 1 9 LYS QB 1 9 LYS QE . . 3.420 2.382 1.951 3.374 . 0 0 "[ . 1 . 2]" 1 1949 1 9 LYS QD 1 9 LYS QG . . 2.300 2.027 2.012 2.069 . 0 0 "[ . 1 . 2]" 1 1950 1 9 LYS QE 1 9 LYS QG . . 2.950 2.280 2.036 2.564 . 0 0 "[ . 1 . 2]" 1 1951 1 10 CYS QB 1 57 GLY QA . . 4.520 4.213 3.196 4.540 0.020 2 0 "[ . 1 . 2]" 1 1952 1 11 PRO QB 1 12 LEU H . . 4.010 3.232 2.947 3.469 . 0 0 "[ . 1 . 2]" 1 1953 1 12 LEU H 1 12 LEU QD . . 4.000 3.738 1.903 4.002 0.002 8 0 "[ . 1 . 2]" 1 1954 1 12 LEU HA 1 12 LEU QD . . 3.160 2.514 2.014 3.306 0.146 15 0 "[ . 1 . 2]" 1 1955 1 12 LEU HA 1 105 TYR QB . . 5.340 4.647 2.912 5.358 0.018 18 0 "[ . 1 . 2]" 1 1956 1 12 LEU QD 1 13 MET H . . 3.870 2.827 2.136 3.836 . 0 0 "[ . 1 . 2]" 1 1957 1 12 LEU QD 1 13 MET QB . . 5.370 4.274 3.607 5.113 . 0 0 "[ . 1 . 2]" 1 1958 1 12 LEU QD 1 32 VAL MG1 . . 3.880 3.233 2.416 3.884 0.004 5 0 "[ . 1 . 2]" 1 1959 1 12 LEU QD 1 44 PHE QR . . 5.040 4.002 2.774 5.137 0.097 16 0 "[ . 1 . 2]" 1 1960 1 12 LEU QD 1 105 TYR QB . . 5.280 4.350 2.465 5.282 0.002 9 0 "[ . 1 . 2]" 1 1961 1 13 MET H 1 13 MET QG . . 4.960 4.115 4.011 4.219 . 0 0 "[ . 1 . 2]" 1 1962 1 13 MET HA 1 13 MET QG . . 3.400 2.310 2.083 2.381 . 0 0 "[ . 1 . 2]" 1 1963 1 13 MET ME 1 13 MET QG . . 2.730 2.062 1.961 2.179 . 0 0 "[ . 1 . 2]" 1 1964 1 13 MET QG 1 14 VAL H . . 4.590 2.912 2.048 3.603 . 0 0 "[ . 1 . 2]" 1 1965 1 13 MET QG 1 15 LYS HB2 . . 5.250 4.738 4.202 5.256 0.006 16 0 "[ . 1 . 2]" 1 1966 1 13 MET QG 1 15 LYS QE . . 4.750 4.667 4.536 4.751 0.001 11 0 "[ . 1 . 2]" 1 1967 1 13 MET QG 1 55 LEU H . . 4.920 3.405 2.801 4.015 . 0 0 "[ . 1 . 2]" 1 1968 1 13 MET QG 1 56 HIS HD2 . . 3.850 3.573 2.263 3.855 0.005 1 0 "[ . 1 . 2]" 1 1969 1 13 MET QG 1 106 THR HB . . 5.340 5.282 4.885 5.359 0.019 5 0 "[ . 1 . 2]" 1 1970 1 13 MET QG 1 106 THR MG . . 3.460 3.106 2.958 3.483 0.023 12 0 "[ . 1 . 2]" 1 1971 1 15 LYS HA 1 17 LEU QD . . 4.570 4.387 4.189 4.574 0.004 5 0 "[ . 1 . 2]" 1 1972 1 15 LYS QG 1 17 LEU QD . . 3.110 1.980 1.913 2.081 . 0 0 "[ . 1 . 2]" 1 1973 1 15 LYS QD 1 17 LEU QD . . 3.540 2.940 2.538 3.205 . 0 0 "[ . 1 . 2]" 1 1974 1 16 VAL H 1 17 LEU QD . . 4.730 4.198 3.939 4.542 . 0 0 "[ . 1 . 2]" 1 1975 1 17 LEU H 1 17 LEU QD . . 3.720 3.452 3.343 3.580 . 0 0 "[ . 1 . 2]" 1 1976 1 17 LEU HA 1 17 LEU QD . . 3.140 2.872 2.829 2.896 . 0 0 "[ . 1 . 2]" 1 1977 1 17 LEU HB2 1 17 LEU QD . . 2.870 1.989 1.928 2.064 . 0 0 "[ . 1 . 2]" 1 1978 1 17 LEU QD 1 18 ASP H . . 3.500 2.917 2.591 3.101 . 0 0 "[ . 1 . 2]" 1 1979 1 17 LEU QD 1 18 ASP HB3 . . 4.790 4.723 4.488 4.809 0.019 16 0 "[ . 1 . 2]" 1 1980 1 17 LEU QD 1 22 GLY H . . 4.930 4.690 4.529 4.818 . 0 0 "[ . 1 . 2]" 1 1981 1 17 LEU QD 1 22 GLY HA2 . . 4.250 3.542 3.464 3.651 . 0 0 "[ . 1 . 2]" 1 1982 1 17 LEU QD 1 23 SER H . . 3.860 3.530 3.199 3.775 . 0 0 "[ . 1 . 2]" 1 1983 1 17 LEU QD 1 23 SER HA . . 3.680 2.744 2.425 2.993 . 0 0 "[ . 1 . 2]" 1 1984 1 17 LEU QD 1 23 SER QB . . 4.690 4.189 3.897 4.411 . 0 0 "[ . 1 . 2]" 1 1985 1 17 LEU QD 1 24 PRO HA . . 3.210 3.028 2.955 3.091 . 0 0 "[ . 1 . 2]" 1 1986 1 17 LEU QD 1 24 PRO HG3 . . 3.930 3.933 3.868 3.948 0.018 2 0 "[ . 1 . 2]" 1 1987 1 17 LEU QD 1 24 PRO HD2 . . 4.200 3.971 3.705 4.158 . 0 0 "[ . 1 . 2]" 1 1988 1 17 LEU QD 1 24 PRO HD3 . . 3.670 2.804 2.498 2.977 . 0 0 "[ . 1 . 2]" 1 1989 1 17 LEU QD 1 25 ALA H . . 4.350 4.386 4.373 4.414 0.064 19 0 "[ . 1 . 2]" 1 1990 1 17 LEU QD 1 53 GLY HA3 . . 4.610 3.586 3.310 3.978 . 0 0 "[ . 1 . 2]" 1 1991 1 17 LEU QD 1 110 MET HG2 . . 3.580 3.569 3.517 3.600 0.020 19 0 "[ . 1 . 2]" 1 1992 1 17 LEU QD 1 110 MET ME . . 3.120 2.407 2.265 2.598 . 0 0 "[ . 1 . 2]" 1 1993 1 18 ASP HA 1 111 LEU QB . . 3.840 2.203 2.132 2.295 . 0 0 "[ . 1 . 2]" 1 1994 1 19 ALA H 1 111 LEU QB . . 4.010 3.187 3.132 3.232 . 0 0 "[ . 1 . 2]" 1 1995 1 19 ALA MB 1 112 SER QB . . 3.830 1.974 1.872 2.520 . 0 0 "[ . 1 . 2]" 1 1996 1 20 VAL MG2 1 112 SER QB . . 3.840 3.296 2.959 3.721 . 0 0 "[ . 1 . 2]" 1 1997 1 20 VAL MG2 1 113 PRO QD . . 3.520 2.152 1.876 2.261 . 0 0 "[ . 1 . 2]" 1 1998 1 21 ARG HB2 1 23 SER QB . . 3.780 3.099 3.032 3.288 . 0 0 "[ . 1 . 2]" 1 1999 1 21 ARG HB3 1 23 SER QB . . 4.000 3.344 3.249 3.478 . 0 0 "[ . 1 . 2]" 1 2000 1 21 ARG HB3 1 82 LEU QD . . 4.660 4.682 4.667 4.706 0.046 20 0 "[ . 1 . 2]" 1 2001 1 21 ARG QD 1 23 SER QB . . 4.520 4.175 3.796 4.536 0.016 3 0 "[ . 1 . 2]" 1 2002 1 21 ARG QD 1 82 LEU QD . . 3.420 2.061 1.983 2.221 . 0 0 "[ . 1 . 2]" 1 2003 1 23 SER H 1 23 SER QB . . 3.250 2.570 2.510 2.620 . 0 0 "[ . 1 . 2]" 1 2004 1 23 SER QB 1 24 PRO HG2 . . 4.220 3.667 3.618 4.230 0.010 3 0 "[ . 1 . 2]" 1 2005 1 23 SER QB 1 24 PRO HG3 . . 4.740 4.531 4.496 4.748 0.008 3 0 "[ . 1 . 2]" 1 2006 1 23 SER QB 1 24 PRO HD2 . . 2.960 2.043 2.001 2.210 . 0 0 "[ . 1 . 2]" 1 2007 1 25 ALA MB 1 111 LEU QB . . 5.340 4.298 4.219 4.397 . 0 0 "[ . 1 . 2]" 1 2008 1 26 ILE H 1 26 ILE QG . . 3.570 2.879 2.873 2.885 . 0 0 "[ . 1 . 2]" 1 2009 1 26 ILE QG 1 26 ILE MG . . 3.190 2.367 2.365 2.370 . 0 0 "[ . 1 . 2]" 1 2010 1 26 ILE QG 1 27 ASN HD21 . . 4.470 4.382 4.379 4.386 . 0 0 "[ . 1 . 2]" 1 2011 1 26 ILE QG 1 27 ASN HD22 . . 5.340 5.403 5.397 5.407 0.067 3 0 "[ . 1 . 2]" 1 2012 1 26 ILE QG 1 50 SER QB . . 5.180 4.119 4.067 4.200 . 0 0 "[ . 1 . 2]" 1 2013 1 26 ILE QG 1 51 GLU HA . . 3.560 1.945 1.925 1.980 . 0 0 "[ . 1 . 2]" 1 2014 1 26 ILE QG 1 51 GLU QB . . 4.070 3.169 3.119 3.218 . 0 0 "[ . 1 . 2]" 1 2015 1 26 ILE QG 1 51 GLU QG . . 4.390 4.140 4.097 4.201 . 0 0 "[ . 1 . 2]" 1 2016 1 26 ILE QG 1 52 SER H . . 4.440 4.287 4.270 4.333 . 0 0 "[ . 1 . 2]" 1 2017 1 28 VAL HA 1 74 ASP QB . . 5.340 4.488 4.207 4.996 . 0 0 "[ . 1 . 2]" 1 2018 1 29 ALA H 1 74 ASP QB . . 4.390 3.228 2.933 3.675 . 0 0 "[ . 1 . 2]" 1 2019 1 29 ALA HA 1 74 ASP QB . . 5.340 4.241 4.037 4.437 . 0 0 "[ . 1 . 2]" 1 2020 1 29 ALA MB 1 74 ASP QB . . 3.460 1.921 1.883 2.013 . 0 0 "[ . 1 . 2]" 1 2021 1 30 VAL HA 1 74 ASP QB . . 5.340 4.516 4.255 4.771 . 0 0 "[ . 1 . 2]" 1 2022 1 30 VAL MG2 1 55 LEU QB . . 4.350 3.760 3.643 3.989 . 0 0 "[ . 1 . 2]" 1 2023 1 31 HIS HA 1 55 LEU QD . . 5.440 5.023 4.822 5.217 . 0 0 "[ . 1 . 2]" 1 2024 1 31 HIS HA 1 58 LEU QD . . 4.890 3.988 3.906 4.077 . 0 0 "[ . 1 . 2]" 1 2025 1 32 VAL H 1 58 LEU QD . . 5.440 3.987 3.923 4.057 . 0 0 "[ . 1 . 2]" 1 2026 1 32 VAL HB 1 58 LEU QD . . 4.090 3.259 2.987 3.400 . 0 0 "[ . 1 . 2]" 1 2027 1 32 VAL MG2 1 58 LEU QD . . 2.470 1.908 1.815 1.997 . 0 0 "[ . 1 . 2]" 1 2028 1 33 PHE HA 1 34 ARG QB . . 4.700 4.016 3.956 4.080 . 0 0 "[ . 1 . 2]" 1 2029 1 33 PHE HB2 1 70 LYS QE . . 4.430 2.753 1.979 2.996 . 0 0 "[ . 1 . 2]" 1 2030 1 33 PHE QD 1 70 LYS QE . . 3.950 3.049 2.136 3.234 . 0 0 "[ . 1 . 2]" 1 2031 1 33 PHE QE 1 70 LYS QE . . 5.040 4.139 3.384 4.248 . 0 0 "[ . 1 . 2]" 1 2032 1 33 PHE QE 1 72 GLU QG . . 5.020 3.854 3.313 4.938 . 0 0 "[ . 1 . 2]" 1 2033 1 34 ARG H 1 34 ARG QB . . 3.370 2.625 2.439 2.839 . 0 0 "[ . 1 . 2]" 1 2034 1 34 ARG H 1 34 ARG QD . . 4.870 4.317 3.699 4.838 . 0 0 "[ . 1 . 2]" 1 2035 1 34 ARG HA 1 34 ARG QD . . 4.870 4.126 3.903 4.267 . 0 0 "[ . 1 . 2]" 1 2036 1 34 ARG QB 1 34 ARG QH1 . . 3.740 3.252 1.969 3.742 0.002 4 0 "[ . 1 . 2]" 1 2037 1 34 ARG QB 1 35 LYS H . . 3.920 3.229 2.823 3.661 . 0 0 "[ . 1 . 2]" 1 2038 1 34 ARG QB 1 42 GLU H . . 4.680 4.070 3.691 4.504 . 0 0 "[ . 1 . 2]" 1 2039 1 34 ARG QB 1 44 PHE H . . 5.340 4.900 4.778 5.048 . 0 0 "[ . 1 . 2]" 1 2040 1 34 ARG QB 1 44 PHE HB2 . . 4.390 2.589 2.459 2.717 . 0 0 "[ . 1 . 2]" 1 2041 1 34 ARG QB 1 44 PHE QR . . 4.730 3.255 3.092 3.450 . 0 0 "[ . 1 . 2]" 1 2042 1 34 ARG QB 1 65 VAL MG2 . . 4.760 4.121 3.573 4.755 . 0 0 "[ . 1 . 2]" 1 2043 1 34 ARG QB 1 69 TYR HA . . 4.750 3.953 3.692 4.150 . 0 0 "[ . 1 . 2]" 1 2044 1 34 ARG QB 1 69 TYR QD . . 3.970 2.751 2.487 3.089 . 0 0 "[ . 1 . 2]" 1 2045 1 34 ARG QD 1 34 ARG QH1 . . 3.420 1.952 1.885 2.080 . 0 0 "[ . 1 . 2]" 1 2046 1 34 ARG QD 1 44 PHE QR . . 3.950 3.009 2.412 3.546 . 0 0 "[ . 1 . 2]" 1 2047 1 34 ARG QD 1 65 VAL MG2 . . 3.720 2.736 1.989 3.139 . 0 0 "[ . 1 . 2]" 1 2048 1 34 ARG QD 1 69 TYR QD . . 5.190 4.367 3.916 4.803 . 0 0 "[ . 1 . 2]" 1 2049 1 36 ALA MB 1 38 ASP QB . . 4.090 3.163 3.136 3.191 . 0 0 "[ . 1 . 2]" 1 2050 1 37 ALA H 1 38 ASP QB . . 4.230 4.079 4.025 4.129 . 0 0 "[ . 1 . 2]" 1 2051 1 37 ALA HA 1 38 ASP QB . . 5.320 5.050 5.033 5.096 . 0 0 "[ . 1 . 2]" 1 2052 1 37 ALA MB 1 38 ASP QB . . 4.070 3.891 3.807 3.993 . 0 0 "[ . 1 . 2]" 1 2053 1 38 ASP HA 1 38 ASP QB . . 2.630 2.481 2.451 2.540 . 0 0 "[ . 1 . 2]" 1 2054 1 38 ASP QB 1 39 ASP H . . 3.770 3.755 3.714 3.777 0.007 4 0 "[ . 1 . 2]" 1 2055 1 38 ASP QB 1 39 ASP HA . . 5.340 5.200 5.161 5.235 . 0 0 "[ . 1 . 2]" 1 2056 1 38 ASP QB 1 40 THR H . . 4.020 3.357 3.279 3.485 . 0 0 "[ . 1 . 2]" 1 2057 1 38 ASP QB 1 40 THR MG . . 3.700 2.046 1.955 2.173 . 0 0 "[ . 1 . 2]" 1 2058 1 41 TRP HB3 1 70 LYS QE . . 5.340 3.535 3.297 3.814 . 0 0 "[ . 1 . 2]" 1 2059 1 41 TRP HD1 1 70 LYS QE . . 4.900 4.594 4.371 4.709 . 0 0 "[ . 1 . 2]" 1 2060 1 41 TRP HE1 1 70 LYS QE . . 5.340 5.321 5.170 5.417 0.077 9 0 "[ . 1 . 2]" 1 2061 1 44 PHE QR 1 58 LEU QD . . 4.090 3.700 3.524 3.867 . 0 0 "[ . 1 . 2]" 1 2062 1 45 ALA H 1 58 LEU QD . . 4.540 4.247 4.103 4.310 . 0 0 "[ . 1 . 2]" 1 2063 1 45 ALA HA 1 58 LEU QD . . 3.960 3.454 3.340 3.544 . 0 0 "[ . 1 . 2]" 1 2064 1 45 ALA MB 1 58 LEU QD . . 2.960 1.839 1.751 1.894 . 0 0 "[ . 1 . 2]" 1 2065 1 46 SER H 1 58 LEU QD . . 3.090 1.915 1.868 1.961 . 0 0 "[ . 1 . 2]" 1 2066 1 46 SER HA 1 58 LEU QD . . 3.570 2.489 2.391 2.578 . 0 0 "[ . 1 . 2]" 1 2067 1 46 SER HB2 1 58 LEU QD . . 4.510 4.180 4.134 4.243 . 0 0 "[ . 1 . 2]" 1 2068 1 46 SER HB3 1 58 LEU QD . . 4.300 4.051 3.994 4.112 . 0 0 "[ . 1 . 2]" 1 2069 1 47 GLY H 1 55 LEU QD . . 3.630 3.016 2.879 3.150 . 0 0 "[ . 1 . 2]" 1 2070 1 47 GLY H 1 58 LEU QD . . 3.450 3.138 3.101 3.197 . 0 0 "[ . 1 . 2]" 1 2071 1 47 GLY HA2 1 55 LEU QD . . 3.510 3.239 3.018 3.429 . 0 0 "[ . 1 . 2]" 1 2072 1 47 GLY HA3 1 55 LEU QD . . 3.140 2.099 1.877 2.319 . 0 0 "[ . 1 . 2]" 1 2073 1 48 LYS H 1 55 LEU QD . . 2.860 2.421 2.237 2.568 . 0 0 "[ . 1 . 2]" 1 2074 1 48 LYS HA 1 55 LEU QD . . 4.850 2.793 2.690 2.965 . 0 0 "[ . 1 . 2]" 1 2075 1 49 THR H 1 55 LEU QD . . 4.820 3.604 3.439 3.729 . 0 0 "[ . 1 . 2]" 1 2076 1 49 THR HA 1 55 LEU QB . . 3.860 2.548 2.388 2.834 . 0 0 "[ . 1 . 2]" 1 2077 1 49 THR HA 1 55 LEU QD . . 4.260 3.064 2.858 3.223 . 0 0 "[ . 1 . 2]" 1 2078 1 50 SER H 1 50 SER QB . . 3.660 2.784 2.691 2.914 . 0 0 "[ . 1 . 2]" 1 2079 1 50 SER QB 1 51 GLU H . . 2.910 1.990 1.910 2.075 . 0 0 "[ . 1 . 2]" 1 2080 1 50 SER QB 1 51 GLU QB . . 4.570 4.112 4.071 4.195 . 0 0 "[ . 1 . 2]" 1 2081 1 50 SER QB 1 51 GLU QG . . 3.360 2.817 2.786 2.920 . 0 0 "[ . 1 . 2]" 1 2082 1 50 SER QB 1 52 SER H . . 3.500 2.471 2.277 3.220 . 0 0 "[ . 1 . 2]" 1 2083 1 54 GLU H 1 54 GLU QB . . 3.370 2.620 2.262 2.833 . 0 0 "[ . 1 . 2]" 1 2084 1 54 GLU HA 1 55 LEU QB . . 4.910 3.958 3.933 3.978 . 0 0 "[ . 1 . 2]" 1 2085 1 54 GLU QB 1 55 LEU H . . 3.760 2.963 2.749 3.551 . 0 0 "[ . 1 . 2]" 1 2086 1 54 GLU QB 1 56 HIS HD2 . . 4.210 3.067 2.461 4.221 0.011 10 0 "[ . 1 . 2]" 1 2087 1 55 LEU H 1 55 LEU QB . . 3.570 2.521 2.483 2.558 . 0 0 "[ . 1 . 2]" 1 2088 1 55 LEU H 1 55 LEU QD . . 4.630 3.932 3.920 3.942 . 0 0 "[ . 1 . 2]" 1 2089 1 55 LEU QD 1 56 HIS HA . . 5.440 3.865 3.683 4.079 . 0 0 "[ . 1 . 2]" 1 2090 1 55 LEU QD 1 56 HIS QB . . 5.280 4.571 4.341 4.756 . 0 0 "[ . 1 . 2]" 1 2091 1 56 HIS QB 1 56 HIS HD2 . . 3.390 2.849 2.729 3.193 . 0 0 "[ . 1 . 2]" 1 2092 1 58 LEU H 1 58 LEU QD . . 3.670 3.435 3.311 3.587 . 0 0 "[ . 1 . 2]" 1 2093 1 58 LEU HA 1 58 LEU QD . . 2.800 2.077 1.948 2.222 . 0 0 "[ . 1 . 2]" 1 2094 1 58 LEU HB2 1 58 LEU QD . . 2.840 2.271 2.152 2.324 . 0 0 "[ . 1 . 2]" 1 2095 1 58 LEU HB3 1 58 LEU QD . . 2.790 2.070 2.033 2.125 . 0 0 "[ . 1 . 2]" 1 2096 1 58 LEU QD 1 59 THR H . . 4.610 3.921 3.848 4.051 . 0 0 "[ . 1 . 2]" 1 2097 1 60 THR H 1 63 GLU QB . . 3.400 2.383 2.341 2.405 . 0 0 "[ . 1 . 2]" 1 2098 1 60 THR HA 1 63 GLU QB . . 5.040 4.638 4.532 4.668 . 0 0 "[ . 1 . 2]" 1 2099 1 60 THR HB 1 62 GLU QG . . 3.680 3.343 3.264 3.364 . 0 0 "[ . 1 . 2]" 1 2100 1 60 THR HB 1 63 GLU QB . . 4.650 4.231 4.071 4.320 . 0 0 "[ . 1 . 2]" 1 2101 1 60 THR MG 1 62 GLU QG . . 4.260 4.185 4.127 4.248 . 0 0 "[ . 1 . 2]" 1 2102 1 60 THR MG 1 63 GLU QB . . 3.920 3.872 3.730 3.921 0.001 18 0 "[ . 1 . 2]" 1 2103 1 61 GLU H 1 62 GLU QB . . 5.340 4.738 4.721 4.765 . 0 0 "[ . 1 . 2]" 1 2104 1 61 GLU H 1 62 GLU QG . . 3.810 3.775 3.756 3.792 . 0 0 "[ . 1 . 2]" 1 2105 1 62 GLU H 1 62 GLU QB . . 3.100 2.604 2.600 2.609 . 0 0 "[ . 1 . 2]" 1 2106 1 62 GLU H 1 62 GLU QG . . 2.980 2.214 2.191 2.268 . 0 0 "[ . 1 . 2]" 1 2107 1 62 GLU HA 1 62 GLU QG . . 2.780 2.581 2.575 2.590 . 0 0 "[ . 1 . 2]" 1 2108 1 62 GLU QB 1 62 GLU QG . . 2.330 2.033 2.032 2.036 . 0 0 "[ . 1 . 2]" 1 2109 1 62 GLU QB 1 63 GLU H . . 4.060 2.912 2.837 2.965 . 0 0 "[ . 1 . 2]" 1 2110 1 63 GLU H 1 63 GLU QB . . 3.420 2.290 2.275 2.325 . 0 0 "[ . 1 . 2]" 1 2111 1 63 GLU HA 1 63 GLU QB . . 2.630 2.316 2.303 2.358 . 0 0 "[ . 1 . 2]" 1 2112 1 63 GLU QB 1 64 PHE H . . 3.590 2.843 2.814 2.856 . 0 0 "[ . 1 . 2]" 1 2113 1 65 VAL MG1 1 66 GLU QB . . 5.320 5.119 4.765 5.322 0.002 10 0 "[ . 1 . 2]" 1 2114 1 66 GLU H 1 66 GLU QB . . 3.030 2.488 2.203 2.721 . 0 0 "[ . 1 . 2]" 1 2115 1 66 GLU H 1 66 GLU QG . . 4.440 2.762 1.923 4.094 . 0 0 "[ . 1 . 2]" 1 2116 1 66 GLU HA 1 66 GLU QG . . 3.340 3.001 2.183 3.339 . 0 0 "[ . 1 . 2]" 1 2117 1 66 GLU QB 1 67 GLY H . . 3.610 2.710 2.364 3.379 . 0 0 "[ . 1 . 2]" 1 2118 1 66 GLU QG 1 67 GLY H . . 3.920 2.948 1.915 3.737 . 0 0 "[ . 1 . 2]" 1 2119 1 66 GLU QG 1 67 GLY HA3 . . 4.630 4.058 3.719 4.521 . 0 0 "[ . 1 . 2]" 1 2120 1 70 LYS H 1 70 LYS QE . . 4.550 4.410 3.748 4.541 . 0 0 "[ . 1 . 2]" 1 2121 1 70 LYS HA 1 70 LYS QE . . 4.700 4.322 4.156 4.416 . 0 0 "[ . 1 . 2]" 1 2122 1 70 LYS HD3 1 72 GLU QG . . 4.790 4.644 4.170 4.794 0.004 10 0 "[ . 1 . 2]" 1 2123 1 70 LYS QE 1 71 VAL H . . 5.340 4.540 4.373 4.720 . 0 0 "[ . 1 . 2]" 1 2124 1 70 LYS QE 1 72 GLU HA . . 5.340 4.745 4.419 5.218 . 0 0 "[ . 1 . 2]" 1 2125 1 70 LYS QE 1 72 GLU HB2 . . 4.770 4.149 3.510 4.523 . 0 0 "[ . 1 . 2]" 1 2126 1 70 LYS QE 1 72 GLU QG . . 4.970 2.255 1.959 3.284 . 0 0 "[ . 1 . 2]" 1 2127 1 71 VAL MG1 1 72 GLU QG . . 5.340 4.503 4.318 4.788 . 0 0 "[ . 1 . 2]" 1 2128 1 72 GLU H 1 72 GLU QG . . 4.120 3.193 2.858 3.841 . 0 0 "[ . 1 . 2]" 1 2129 1 72 GLU HA 1 72 GLU QG . . 3.670 2.298 2.090 2.439 . 0 0 "[ . 1 . 2]" 1 2130 1 72 GLU HA 1 92 GLU QG . . 4.060 2.978 2.732 3.271 . 0 0 "[ . 1 . 2]" 1 2131 1 72 GLU HB2 1 72 GLU QG . . 2.540 2.266 2.134 2.492 . 0 0 "[ . 1 . 2]" 1 2132 1 72 GLU QG 1 92 GLU HA . . 4.520 2.848 2.653 3.166 . 0 0 "[ . 1 . 2]" 1 2133 1 72 GLU QG 1 93 VAL H . . 4.580 3.982 3.777 4.288 . 0 0 "[ . 1 . 2]" 1 2134 1 73 ILE H 1 92 GLU QG . . 4.600 3.872 3.491 4.109 . 0 0 "[ . 1 . 2]" 1 2135 1 73 ILE HA 1 74 ASP QB . . 4.880 4.135 3.982 4.280 . 0 0 "[ . 1 . 2]" 1 2136 1 73 ILE MG 1 74 ASP QB . . 4.590 4.025 3.893 4.142 . 0 0 "[ . 1 . 2]" 1 2137 1 74 ASP QB 1 76 LYS H . . 5.310 3.869 3.579 4.332 . 0 0 "[ . 1 . 2]" 1 2138 1 74 ASP QB 1 77 SER H . . 4.430 3.155 2.769 3.571 . 0 0 "[ . 1 . 2]" 1 2139 1 75 THR MG 1 111 LEU QB . . 5.000 3.604 3.526 3.649 . 0 0 "[ . 1 . 2]" 1 2140 1 76 LYS HA 1 76 LYS QG . . 3.600 3.400 3.367 3.415 . 0 0 "[ . 1 . 2]" 1 2141 1 76 LYS HA 1 79 TRP QB . . 4.790 2.491 2.255 2.740 . 0 0 "[ . 1 . 2]" 1 2142 1 76 LYS QB 1 79 TRP QB . . 4.870 4.040 3.767 4.245 . 0 0 "[ . 1 . 2]" 1 2143 1 76 LYS QG 1 77 SER H . . 4.630 2.102 1.940 2.775 . 0 0 "[ . 1 . 2]" 1 2144 1 76 LYS QG 1 77 SER QB . . 5.040 3.800 3.284 4.050 . 0 0 "[ . 1 . 2]" 1 2145 1 76 LYS QG 1 79 TRP H . . 5.340 5.172 5.096 5.330 . 0 0 "[ . 1 . 2]" 1 2146 1 79 TRP H 1 79 TRP QB . . 3.350 2.386 2.336 2.404 . 0 0 "[ . 1 . 2]" 1 2147 1 79 TRP H 1 82 LEU QD . . 5.440 3.989 3.944 4.099 . 0 0 "[ . 1 . 2]" 1 2148 1 79 TRP HA 1 82 LEU QD . . 2.500 1.860 1.848 1.879 . 0 0 "[ . 1 . 2]" 1 2149 1 79 TRP QB 1 80 LYS H . . 4.040 2.928 2.906 2.969 . 0 0 "[ . 1 . 2]" 1 2150 1 79 TRP QB 1 80 LYS HA . . 4.710 3.993 3.988 3.999 . 0 0 "[ . 1 . 2]" 1 2151 1 79 TRP QB 1 84 ILE H . . 4.000 3.101 3.044 3.166 . 0 0 "[ . 1 . 2]" 1 2152 1 79 TRP QB 1 84 ILE HB . . 4.000 2.700 2.572 2.768 . 0 0 "[ . 1 . 2]" 1 2153 1 79 TRP QB 1 84 ILE MG . . 3.900 2.375 2.255 2.478 . 0 0 "[ . 1 . 2]" 1 2154 1 79 TRP HE3 1 82 LEU QD . . 3.510 1.948 1.894 1.985 . 0 0 "[ . 1 . 2]" 1 2155 1 79 TRP HH2 1 111 LEU QB . . 5.140 3.113 2.961 3.257 . 0 0 "[ . 1 . 2]" 1 2156 1 79 TRP HH2 1 113 PRO QD . . 4.480 2.843 2.295 3.033 . 0 0 "[ . 1 . 2]" 1 2157 1 81 ALA H 1 82 LEU QD . . 4.480 3.209 3.169 3.295 . 0 0 "[ . 1 . 2]" 1 2158 1 81 ALA HA 1 82 LEU QD . . 4.750 4.685 4.654 4.716 . 0 0 "[ . 1 . 2]" 1 2159 1 81 ALA MB 1 82 LEU QD . . 3.440 3.243 3.183 3.309 . 0 0 "[ . 1 . 2]" 1 2160 1 82 LEU H 1 82 LEU QD . . 3.130 1.943 1.922 2.008 . 0 0 "[ . 1 . 2]" 1 2161 1 82 LEU HA 1 82 LEU QD . . 4.180 3.346 3.339 3.348 . 0 0 "[ . 1 . 2]" 1 2162 1 82 LEU HB2 1 82 LEU QD . . 2.700 2.046 2.038 2.067 . 0 0 "[ . 1 . 2]" 1 2163 1 82 LEU QD 1 83 GLY H . . 3.560 2.111 2.097 2.118 . 0 0 "[ . 1 . 2]" 1 2164 1 82 LEU QD 1 83 GLY HA2 . . 3.900 3.683 3.657 3.709 . 0 0 "[ . 1 . 2]" 1 2165 1 82 LEU QD 1 83 GLY HA3 . . 4.880 3.901 3.861 3.936 . 0 0 "[ . 1 . 2]" 1 2166 1 82 LEU QD 1 84 ILE H . . 4.680 2.076 2.058 2.113 . 0 0 "[ . 1 . 2]" 1 2167 1 82 LEU QD 1 84 ILE HA . . 3.770 3.555 3.488 3.636 . 0 0 "[ . 1 . 2]" 1 2168 1 82 LEU QD 1 84 ILE HB . . 3.130 2.075 2.033 2.125 . 0 0 "[ . 1 . 2]" 1 2169 1 84 ILE HA 1 85 SER QB . . 5.000 4.129 4.120 4.139 . 0 0 "[ . 1 . 2]" 1 2170 1 84 ILE MG 1 85 SER QB . . 3.800 3.237 3.212 3.253 . 0 0 "[ . 1 . 2]" 1 2171 1 84 ILE MG 1 113 PRO QD . . 4.750 3.979 3.851 4.092 . 0 0 "[ . 1 . 2]" 1 2172 1 84 ILE MD 1 85 SER QB . . 5.340 5.214 5.192 5.233 . 0 0 "[ . 1 . 2]" 1 2173 1 87 MET H 1 87 MET QB . . 3.190 2.404 2.152 2.553 . 0 0 "[ . 1 . 2]" 1 2174 1 87 MET H 1 87 MET QG . . 3.490 2.695 2.258 3.571 0.081 18 0 "[ . 1 . 2]" 1 2175 1 87 MET QB 1 87 MET ME . . 3.710 3.382 2.459 3.714 0.004 1 0 "[ . 1 . 2]" 1 2176 1 87 MET QG 1 88 HIS H . . 4.640 4.141 3.763 4.481 . 0 0 "[ . 1 . 2]" 1 2177 1 87 MET QG 1 114 TYR QD . . 4.350 3.967 3.365 4.354 0.004 8 0 "[ . 1 . 2]" 1 2178 1 87 MET ME 1 114 TYR QB . . 4.590 4.232 3.476 4.567 . 0 0 "[ . 1 . 2]" 1 2179 1 90 HIS HA 1 92 GLU QG . . 5.340 5.302 5.237 5.355 0.015 17 0 "[ . 1 . 2]" 1 2180 1 90 HIS HB2 1 92 GLU QG . . 4.370 3.633 3.552 3.713 . 0 0 "[ . 1 . 2]" 1 2181 1 90 HIS HB3 1 92 GLU QG . . 5.340 4.957 4.881 5.076 . 0 0 "[ . 1 . 2]" 1 2182 1 90 HIS HD2 1 92 GLU QG . . 3.560 2.101 1.981 2.517 . 0 0 "[ . 1 . 2]" 1 2183 1 97 ALA MB 1 124 ASN QD . . 4.610 4.351 3.745 4.611 0.001 6 0 "[ . 1 . 2]" 1 2184 1 99 ASP QB 1 100 SER H . . 4.280 3.211 1.976 4.035 . 0 0 "[ . 1 . 2]" 1 2185 1 100 SER HA 1 101 GLY QA . . 4.390 4.080 3.909 4.310 . 0 0 "[ . 1 . 2]" 1 2186 1 105 TYR QB 1 107 ILE MD . . 4.310 3.514 3.347 3.827 . 0 0 "[ . 1 . 2]" 1 2187 1 111 LEU H 1 111 LEU QB . . 3.560 2.221 2.185 2.259 . 0 0 "[ . 1 . 2]" 1 2188 1 111 LEU QB 1 111 LEU MD2 . . 3.210 2.030 2.006 2.047 . 0 0 "[ . 1 . 2]" 1 2189 1 111 LEU QB 1 112 SER H . . 3.900 3.415 3.113 3.533 . 0 0 "[ . 1 . 2]" 1 2190 1 111 LEU QB 1 112 SER HA . . 4.850 4.001 3.969 4.055 . 0 0 "[ . 1 . 2]" 1 2191 1 112 SER HA 1 113 PRO QD . . 3.520 1.871 1.862 1.874 . 0 0 "[ . 1 . 2]" 1 2192 1 112 SER QB 1 113 PRO QD . . 4.040 3.524 3.385 3.769 . 0 0 "[ . 1 . 2]" 1 2193 1 112 SER QB 1 114 TYR H . . 4.170 3.958 3.180 4.185 0.015 7 0 "[ . 1 . 2]" 1 2194 1 112 SER QB 1 115 SER H . . 3.960 3.084 2.574 3.667 . 0 0 "[ . 1 . 2]" 1 2195 1 114 TYR H 1 114 TYR QB . . 3.280 2.588 2.542 2.660 . 0 0 "[ . 1 . 2]" 1 2196 1 114 TYR QB 1 115 SER H . . 3.670 2.202 1.906 3.041 . 0 0 "[ . 1 . 2]" 1 2197 1 114 TYR QB 1 115 SER QB . . 4.980 3.691 3.218 4.428 . 0 0 "[ . 1 . 2]" 1 2198 1 114 TYR QD 1 115 SER QB . . 5.340 4.954 4.644 5.370 0.030 19 0 "[ . 1 . 2]" 1 2199 1 115 SER H 1 115 SER QB . . 3.520 2.397 2.231 3.022 . 0 0 "[ . 1 . 2]" 1 2200 1 115 SER QB 1 116 TYR H . . 4.080 2.411 2.023 3.120 . 0 0 "[ . 1 . 2]" 1 2201 1 115 SER QB 1 116 TYR QB . . 5.180 4.339 3.161 4.804 . 0 0 "[ . 1 . 2]" 1 2202 1 115 SER QB 1 116 TYR QD . . 4.220 3.452 2.865 4.221 0.001 16 0 "[ . 1 . 2]" 1 2203 1 124 ASN QB 1 125 PRO HA . . 4.970 4.546 4.476 4.594 . 0 0 "[ . 1 . 2]" 1 2204 1 124 ASN QB 1 125 PRO QD . . 3.240 1.947 1.931 2.016 . 0 0 "[ . 1 . 2]" 1 2205 1 124 ASN QB 1 126 LYS H . . 5.340 4.901 4.218 5.295 . 0 0 "[ . 1 . 2]" 1 2206 1 124 ASN QD 1 125 PRO QD . . 5.180 4.248 3.186 4.605 . 0 0 "[ . 1 . 2]" 1 2207 1 126 LYS H 1 126 LYS QB . . 3.100 2.546 2.303 3.102 0.002 1 0 "[ . 1 . 2]" 1 2208 1 126 LYS QB 1 127 GLU H . . 4.230 3.592 3.444 3.913 . 0 0 "[ . 1 . 2]" 1 2209 1 127 GLU H 1 127 GLU QB . . 2.720 2.545 2.346 2.650 . 0 0 "[ . 1 . 2]" 1 2210 1 127 GLU HA 1 127 GLU QB . . 2.620 2.280 2.175 2.437 . 0 0 "[ . 1 . 2]" 1 2211 1 127 GLU QB 1 127 GLU QG . . 2.420 2.063 2.002 2.085 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 72 _Distance_constraint_stats_list.Viol_count 1360 _Distance_constraint_stats_list.Viol_total 3668.762 _Distance_constraint_stats_list.Viol_max 0.322 _Distance_constraint_stats_list.Viol_rms 0.0868 _Distance_constraint_stats_list.Viol_average_all_restraints 0.1274 _Distance_constraint_stats_list.Viol_average_violations_only 0.1349 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 13 MET 3.117 0.227 13 0 "[ . 1 . 2]" 1 15 LYS 8.042 0.274 17 0 "[ . 1 . 2]" 1 16 VAL 21.109 0.322 12 0 "[ . 1 . 2]" 1 17 LEU 13.129 0.288 2 0 "[ . 1 . 2]" 1 18 ASP 2.927 0.132 17 0 "[ . 1 . 2]" 1 19 ALA 0.942 0.044 12 0 "[ . 1 . 2]" 1 23 SER 2.927 0.132 17 0 "[ . 1 . 2]" 1 25 ALA 11.088 0.322 12 0 "[ . 1 . 2]" 1 27 ASN 19.199 0.316 11 0 "[ . 1 . 2]" 1 29 ALA 5.220 0.214 9 0 "[ . 1 . 2]" 1 30 VAL 7.148 0.225 17 0 "[ . 1 . 2]" 1 31 HIS 14.068 0.253 9 0 "[ . 1 . 2]" 1 32 VAL 15.523 0.273 9 0 "[ . 1 . 2]" 1 33 PHE 4.164 0.136 1 0 "[ . 1 . 2]" 1 34 ARG 3.790 0.101 6 0 "[ . 1 . 2]" 1 35 LYS 4.907 0.263 20 0 "[ . 1 . 2]" 1 36 ALA 0.854 0.066 4 0 "[ . 1 . 2]" 1 40 THR 0.854 0.066 4 0 "[ . 1 . 2]" 1 42 GLU 3.790 0.101 6 0 "[ . 1 . 2]" 1 44 PHE 6.130 0.233 9 0 "[ . 1 . 2]" 1 45 ALA 9.393 0.273 9 0 "[ . 1 . 2]" 1 47 GLY 7.148 0.225 17 0 "[ . 1 . 2]" 1 49 THR 8.883 0.254 13 0 "[ . 1 . 2]" 1 50 SER 3.439 0.207 14 0 "[ . 1 . 2]" 1 53 GLY 13.460 0.296 13 0 "[ . 1 . 2]" 1 60 THR 7.180 0.214 16 0 "[ . 1 . 2]" 1 64 PHE 7.180 0.214 16 0 "[ . 1 . 2]" 1 68 ILE 4.907 0.263 20 0 "[ . 1 . 2]" 1 69 TYR 6.690 0.242 19 0 "[ . 1 . 2]" 1 70 LYS 4.164 0.136 1 0 "[ . 1 . 2]" 1 71 VAL 12.833 0.261 4 0 "[ . 1 . 2]" 1 72 GLU 14.068 0.253 9 0 "[ . 1 . 2]" 1 73 ILE 11.825 0.314 12 0 "[ . 1 . 2]" 1 74 ASP 5.220 0.214 9 0 "[ . 1 . 2]" 1 75 THR 4.618 0.211 9 0 "[ . 1 . 2]" 1 79 TRP 11.337 0.240 5 0 "[ . 1 . 2]" 1 83 GLY 6.008 0.240 5 0 "[ . 1 . 2]" 1 84 ILE 0.711 0.045 5 0 "[ . 1 . 2]" 1 91 ALA 11.825 0.314 12 0 "[ . 1 . 2]" 1 93 VAL 12.833 0.261 4 0 "[ . 1 . 2]" 1 95 PHE 6.690 0.242 19 0 "[ . 1 . 2]" 1 107 ILE 11.159 0.274 17 0 "[ . 1 . 2]" 1 109 ALA 9.256 0.288 2 0 "[ . 1 . 2]" 1 110 MET 5.994 0.265 14 0 "[ . 1 . 2]" 1 111 LEU 4.815 0.199 16 0 "[ . 1 . 2]" 1 118 THR 5.994 0.265 14 0 "[ . 1 . 2]" 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 15 LYS H 1 107 ILE O . . 1.800 1.981 1.882 2.018 0.218 10 0 "[ . 1 . 2]" 2 2 1 15 LYS N 1 107 ILE O . . 2.700 2.921 2.838 2.974 0.274 17 0 "[ . 1 . 2]" 2 3 1 16 VAL H 1 53 GLY O . . 1.800 2.028 2.017 2.049 0.249 13 0 "[ . 1 . 2]" 2 4 1 16 VAL N 1 53 GLY O . . 2.700 2.973 2.959 2.996 0.296 13 0 "[ . 1 . 2]" 2 5 1 17 LEU H 1 109 ALA O . . 1.800 2.004 1.925 2.026 0.226 17 0 "[ . 1 . 2]" 2 6 1 17 LEU N 1 109 ALA O . . 2.700 2.959 2.886 2.988 0.288 2 0 "[ . 1 . 2]" 2 7 1 18 ASP H 1 23 SER O . . 1.800 1.873 1.838 1.923 0.123 18 0 "[ . 1 . 2]" 2 8 1 18 ASP N 1 23 SER O . . 2.700 2.773 2.733 2.832 0.132 17 0 "[ . 1 . 2]" 2 9 1 19 ALA H 1 111 LEU O . . 1.800 1.809 1.798 1.837 0.037 16 0 "[ . 1 . 2]" 2 10 1 19 ALA N 1 111 LEU O . . 2.700 2.738 2.727 2.744 0.044 12 0 "[ . 1 . 2]" 2 11 1 16 VAL O 1 25 ALA H . . 1.800 2.055 2.045 2.064 0.264 19 0 "[ . 1 . 2]" 2 12 1 16 VAL O 1 25 ALA N . . 2.700 3.000 2.949 3.022 0.322 12 0 "[ . 1 . 2]" 2 13 1 27 ASN H 1 49 THR O . . 1.800 2.033 2.020 2.054 0.254 13 0 "[ . 1 . 2]" 2 14 1 27 ASN N 1 49 THR O . . 2.700 2.911 2.896 2.949 0.249 13 0 "[ . 1 . 2]" 2 15 1 27 ASN HD21 1 27 ASN N . . 1.800 2.113 2.109 2.116 0.316 11 0 "[ . 1 . 2]" 2 16 1 27 ASN N 1 27 ASN ND2 . . 2.700 2.902 2.898 2.905 0.205 10 0 "[ . 1 . 2]" 2 17 1 30 VAL H 1 47 GLY O . . 1.800 1.849 1.820 1.871 0.071 7 0 "[ . 1 . 2]" 2 18 1 30 VAL N 1 47 GLY O . . 2.700 2.747 2.736 2.762 0.062 18 0 "[ . 1 . 2]" 2 19 1 31 HIS H 1 72 GLU O . . 1.800 2.005 1.914 2.028 0.228 9 0 "[ . 1 . 2]" 2 20 1 31 HIS N 1 72 GLU O . . 2.700 2.901 2.824 2.953 0.253 9 0 "[ . 1 . 2]" 2 21 1 32 VAL H 1 45 ALA O . . 1.800 1.817 1.795 1.827 0.027 17 0 "[ . 1 . 2]" 2 22 1 32 VAL N 1 45 ALA O . . 2.700 2.741 2.730 2.746 0.046 10 0 "[ . 1 . 2]" 2 23 1 33 PHE H 1 70 LYS O . . 1.800 1.818 1.786 1.915 0.115 6 0 "[ . 1 . 2]" 2 24 1 33 PHE N 1 70 LYS O . . 2.700 2.765 2.742 2.826 0.126 6 0 "[ . 1 . 2]" 2 25 1 34 ARG H 1 42 GLU O . . 1.800 1.860 1.831 1.892 0.092 6 0 "[ . 1 . 2]" 2 26 1 34 ARG N 1 42 GLU O . . 2.700 2.772 2.747 2.801 0.101 6 0 "[ . 1 . 2]" 2 27 1 35 LYS H 1 68 ILE O . . 1.800 1.891 1.798 2.004 0.204 20 0 "[ . 1 . 2]" 2 28 1 35 LYS N 1 68 ILE O . . 2.700 2.855 2.748 2.963 0.263 20 0 "[ . 1 . 2]" 2 29 1 36 ALA H 1 40 THR O . . 1.800 1.789 1.771 1.800 . 0 0 "[ . 1 . 2]" 2 30 1 36 ALA N 1 40 THR O . . 2.700 2.743 2.702 2.766 0.066 4 0 "[ . 1 . 2]" 2 31 1 34 ARG O 1 42 GLU H . . 1.800 1.805 1.794 1.819 0.019 12 0 "[ . 1 . 2]" 2 32 1 34 ARG O 1 42 GLU N . . 2.700 2.751 2.743 2.764 0.064 9 0 "[ . 1 . 2]" 2 33 1 32 VAL O 1 44 PHE H . . 1.800 1.970 1.918 2.033 0.233 9 0 "[ . 1 . 2]" 2 34 1 32 VAL O 1 44 PHE N . . 2.700 2.836 2.783 2.915 0.215 9 0 "[ . 1 . 2]" 2 35 1 32 VAL O 1 45 ALA H . . 1.800 1.975 1.929 2.007 0.207 17 0 "[ . 1 . 2]" 2 36 1 32 VAL O 1 45 ALA N . . 2.700 2.937 2.895 2.973 0.273 9 0 "[ . 1 . 2]" 2 37 1 30 VAL O 1 47 GLY H . . 1.800 1.899 1.867 1.959 0.159 17 0 "[ . 1 . 2]" 2 38 1 30 VAL O 1 47 GLY N . . 2.700 2.863 2.832 2.925 0.225 17 0 "[ . 1 . 2]" 2 39 1 50 SER O 1 53 GLY H . . 1.800 1.913 1.870 2.007 0.207 14 0 "[ . 1 . 2]" 2 40 1 50 SER O 1 53 GLY N . . 2.700 2.759 2.743 2.808 0.108 12 0 "[ . 1 . 2]" 2 41 1 60 THR O 1 64 PHE H . . 1.800 2.007 2.003 2.014 0.214 16 0 "[ . 1 . 2]" 2 42 1 60 THR O 1 64 PHE N . . 2.700 2.852 2.843 2.874 0.174 10 0 "[ . 1 . 2]" 2 43 1 69 TYR H 1 95 PHE O . . 1.800 1.899 1.808 1.999 0.199 19 0 "[ . 1 . 2]" 2 44 1 69 TYR N 1 95 PHE O . . 2.700 2.837 2.746 2.942 0.242 19 0 "[ . 1 . 2]" 2 45 1 33 PHE O 1 70 LYS H . . 1.800 1.858 1.798 1.936 0.136 1 0 "[ . 1 . 2]" 2 46 1 33 PHE O 1 70 LYS N . . 2.700 2.765 2.740 2.807 0.107 1 0 "[ . 1 . 2]" 2 47 1 71 VAL H 1 93 VAL O . . 1.800 1.890 1.799 1.958 0.158 10 0 "[ . 1 . 2]" 2 48 1 71 VAL N 1 93 VAL O . . 2.700 2.839 2.753 2.921 0.221 8 0 "[ . 1 . 2]" 2 49 1 31 HIS O 1 72 GLU H . . 1.800 1.925 1.797 2.003 0.203 9 0 "[ . 1 . 2]" 2 50 1 31 HIS O 1 72 GLU N . . 2.700 2.873 2.749 2.939 0.239 9 0 "[ . 1 . 2]" 2 51 1 73 ILE H 1 91 ALA O . . 1.800 1.846 1.785 1.963 0.163 20 0 "[ . 1 . 2]" 2 52 1 73 ILE N 1 91 ALA O . . 2.700 2.814 2.748 2.932 0.232 20 0 "[ . 1 . 2]" 2 53 1 29 ALA O 1 74 ASP H . . 1.800 1.941 1.798 2.012 0.212 18 0 "[ . 1 . 2]" 2 54 1 29 ALA O 1 74 ASP N . . 2.700 2.820 2.742 2.914 0.214 9 0 "[ . 1 . 2]" 2 55 1 75 THR O 1 79 TRP H . . 1.800 1.938 1.892 2.011 0.211 9 0 "[ . 1 . 2]" 2 56 1 75 THR O 1 79 TRP N . . 2.700 2.793 2.748 2.867 0.167 7 0 "[ . 1 . 2]" 2 57 1 79 TRP O 1 83 GLY H . . 1.800 2.017 1.991 2.040 0.240 5 0 "[ . 1 . 2]" 2 58 1 79 TRP O 1 83 GLY N . . 2.700 2.784 2.751 2.819 0.119 7 0 "[ . 1 . 2]" 2 59 1 79 TRP O 1 84 ILE H . . 1.800 1.789 1.783 1.796 . 0 0 "[ . 1 . 2]" 2 60 1 79 TRP O 1 84 ILE N . . 2.700 2.736 2.729 2.745 0.045 5 0 "[ . 1 . 2]" 2 61 1 73 ILE O 1 91 ALA H . . 1.800 1.999 1.931 2.041 0.241 12 0 "[ . 1 . 2]" 2 62 1 73 ILE O 1 91 ALA N . . 2.700 2.931 2.866 3.014 0.314 12 0 "[ . 1 . 2]" 2 63 1 71 VAL O 1 93 VAL H . . 1.800 1.981 1.866 2.012 0.212 4 0 "[ . 1 . 2]" 2 64 1 71 VAL O 1 93 VAL N . . 2.700 2.931 2.828 2.961 0.261 4 0 "[ . 1 . 2]" 2 65 1 69 TYR O 1 95 PHE H . . 1.800 1.819 1.794 1.961 0.161 4 0 "[ . 1 . 2]" 2 66 1 69 TYR O 1 95 PHE N . . 2.700 2.779 2.748 2.852 0.152 4 0 "[ . 1 . 2]" 2 67 1 13 MET O 1 107 ILE H . . 1.800 1.853 1.799 2.000 0.200 13 0 "[ . 1 . 2]" 2 68 1 13 MET O 1 107 ILE N . . 2.700 2.803 2.743 2.927 0.227 13 0 "[ . 1 . 2]" 2 69 1 110 MET H 1 118 THR O . . 1.800 1.923 1.818 2.000 0.200 2 0 "[ . 1 . 2]" 2 70 1 110 MET N 1 118 THR O . . 2.700 2.876 2.762 2.965 0.265 14 0 "[ . 1 . 2]" 2 71 1 17 LEU O 1 111 LEU H . . 1.800 1.954 1.899 1.999 0.199 16 0 "[ . 1 . 2]" 2 72 1 17 LEU O 1 111 LEU N . . 2.700 2.740 2.720 2.775 0.075 16 0 "[ . 1 . 2]" 2 stop_ save_
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