NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
619900 | 5tgw | 30185 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5tgw 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 751 _Distance_constraint_stats_list.Viol_count 481 _Distance_constraint_stats_list.Viol_total 915.179 _Distance_constraint_stats_list.Viol_max 0.488 _Distance_constraint_stats_list.Viol_rms 0.0225 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0030 _Distance_constraint_stats_list.Viol_average_violations_only 0.0951 _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 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 THR 0.462 0.214 2 0 "[ . 1 . 2]" 1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 LEU 0.498 0.090 20 0 "[ . 1 . 2]" 1 14 VAL 0.452 0.268 15 0 "[ . 1 . 2]" 1 15 GLN 0.698 0.407 7 0 "[ . 1 . 2]" 1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 PHE 0.672 0.132 20 0 "[ . 1 . 2]" 1 18 GLN 2.379 0.268 15 0 "[ . 1 . 2]" 1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 LEU 0.224 0.079 9 0 "[ . 1 . 2]" 1 21 ARG 3.125 0.236 8 0 "[ . 1 . 2]" 1 22 GLU 1.617 0.254 20 0 "[ . 1 . 2]" 1 23 ILE 0.447 0.119 16 0 "[ . 1 . 2]" 1 24 PHE 0.756 0.133 11 0 "[ . 1 . 2]" 1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 26 LYS 1.021 0.190 16 0 "[ . 1 . 2]" 1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 ASP 0.077 0.035 10 0 "[ . 1 . 2]" 1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 SER 0.014 0.014 17 0 "[ . 1 . 2]" 1 32 LEU 1.306 0.119 16 0 "[ . 1 . 2]" 1 33 GLU 0.918 0.151 11 0 "[ . 1 . 2]" 1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 VAL 1.299 0.151 17 0 "[ . 1 . 2]" 1 36 LEU 0.896 0.176 6 0 "[ . 1 . 2]" 1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 GLU 5.358 0.294 8 0 "[ . 1 . 2]" 1 39 ILE 0.947 0.338 16 0 "[ . 1 . 2]" 1 40 GLU 2.241 0.208 14 0 "[ . 1 . 2]" 1 41 GLU 1.236 0.140 5 0 "[ . 1 . 2]" 1 42 LEU 0.801 0.088 1 0 "[ . 1 . 2]" 1 43 ILE 1.538 0.132 20 0 "[ . 1 . 2]" 1 44 GLN 1.126 0.213 15 0 "[ . 1 . 2]" 1 45 LYS 0.027 0.027 18 0 "[ . 1 . 2]" 1 46 HIS 0.708 0.214 2 0 "[ . 1 . 2]" 1 47 ARG 0.067 0.033 8 0 "[ . 1 . 2]" 1 48 GLN 1.060 0.123 2 0 "[ . 1 . 2]" 1 49 LEU 0.251 0.197 10 0 "[ . 1 . 2]" 1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 TRP 4.939 0.338 16 0 "[ . 1 . 2]" 1 69 VAL 0.204 0.189 16 0 "[ . 1 . 2]" 1 70 GLN 0.777 0.123 4 0 "[ . 1 . 2]" 1 71 LEU 4.508 0.385 17 0 "[ . 1 . 2]" 1 72 PHE 0.015 0.015 7 0 "[ . 1 . 2]" 1 73 GLN 0.063 0.016 6 0 "[ . 1 . 2]" 1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 PHE 0.284 0.069 19 0 "[ . 1 . 2]" 1 76 ARG 0.087 0.087 20 0 "[ . 1 . 2]" 1 77 GLU 0.042 0.027 2 0 "[ . 1 . 2]" 1 78 ALA 0.053 0.038 12 0 "[ . 1 . 2]" 1 79 ILE 0.087 0.087 20 0 "[ . 1 . 2]" 1 80 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 LYS 0.824 0.201 8 0 "[ . 1 . 2]" 1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 ASP 0.053 0.038 12 0 "[ . 1 . 2]" 1 84 LYS 2.495 0.203 12 0 "[ . 1 . 2]" 1 85 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 LEU 2.838 0.310 10 0 "[ . 1 . 2]" 1 88 GLU 0.747 0.133 11 0 "[ . 1 . 2]" 1 89 GLN 1.529 0.164 5 0 "[ . 1 . 2]" 1 90 LEU 0.370 0.310 10 0 "[ . 1 . 2]" 1 91 LEU 0.293 0.079 9 0 "[ . 1 . 2]" 1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 GLU 0.395 0.097 13 0 "[ . 1 . 2]" 1 94 LEU 0.541 0.116 14 0 "[ . 1 . 2]" 1 95 GLU 0.066 0.022 12 0 "[ . 1 . 2]" 1 96 GLN 2.019 0.322 16 0 "[ . 1 . 2]" 1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 98 LEU 0.551 0.141 8 0 "[ . 1 . 2]" 1 99 GLN 1.966 0.231 10 0 "[ . 1 . 2]" 1 100 LYS 0.337 0.077 5 0 "[ . 1 . 2]" 1 101 ILE 0.444 0.074 12 0 "[ . 1 . 2]" 1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 103 GLU 1.936 0.369 7 0 "[ . 1 . 2]" 1 104 LEU 0.488 0.488 19 0 "[ . 1 . 2]" 1 105 ALA 0.172 0.065 20 0 "[ . 1 . 2]" 1 106 GLU 0.000 0.000 . 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 8 GLN HA 1 11 ASP QB 4.780 . 7.770 2.649 1.960 3.184 . 0 0 "[ . 1 . 2]" 1 2 1 9 THR HA 1 13 LEU H 3.700 . 5.600 4.249 3.887 4.931 . 0 0 "[ . 1 . 2]" 1 3 1 9 THR MG 1 10 GLY H 3.580 . 5.360 3.552 3.359 3.707 . 0 0 "[ . 1 . 2]" 1 4 1 9 THR MG 1 13 LEU MD1 3.230 . 4.670 3.355 2.711 4.372 . 0 0 "[ . 1 . 2]" 1 5 1 9 THR MG 1 45 LYS QB 3.120 . 4.440 2.907 1.981 4.131 . 0 0 "[ . 1 . 2]" 1 6 1 9 THR MG 1 46 HIS H 3.420 . 5.050 3.140 2.391 4.439 . 0 0 "[ . 1 . 2]" 1 7 1 9 THR MG 1 46 HIS HA 2.830 . 3.870 2.521 2.003 3.068 . 0 0 "[ . 1 . 2]" 1 8 1 9 THR MG 1 46 HIS QB 3.740 . 5.690 2.356 1.793 3.044 . 0 0 "[ . 1 . 2]" 1 9 1 9 THR MG 1 46 HIS HD2 3.190 . 4.590 3.201 1.866 4.804 0.214 2 0 "[ . 1 . 2]" 1 10 1 9 THR MG 1 49 LEU MD1 3.060 . 4.320 2.705 2.025 3.704 . 0 0 "[ . 1 . 2]" 1 11 1 11 ASP H 1 12 GLU H 3.080 . 4.370 2.624 2.494 2.717 . 0 0 "[ . 1 . 2]" 1 12 1 11 ASP HA 1 14 VAL H 3.360 . 4.930 3.375 3.199 3.628 . 0 0 "[ . 1 . 2]" 1 13 1 11 ASP HA 1 14 VAL HB 3.190 . 4.590 2.936 2.560 3.389 . 0 0 "[ . 1 . 2]" 1 14 1 11 ASP HA 1 14 VAL MG1 4.120 . 6.450 4.236 3.976 4.646 . 0 0 "[ . 1 . 2]" 1 15 1 11 ASP HA 1 14 VAL MG2 3.170 . 4.540 2.767 2.156 3.426 . 0 0 "[ . 1 . 2]" 1 16 1 12 GLU H 1 12 GLU HG2 3.250 . 4.710 3.744 2.219 4.582 . 0 0 "[ . 1 . 2]" 1 17 1 12 GLU H 1 12 GLU QG 3.170 . 4.540 3.018 2.098 4.053 . 0 0 "[ . 1 . 2]" 1 18 1 12 GLU H 1 12 GLU HG3 3.250 . 4.710 3.423 2.127 4.525 . 0 0 "[ . 1 . 2]" 1 19 1 12 GLU H 1 13 LEU H 3.130 . 4.460 2.678 2.602 2.786 . 0 0 "[ . 1 . 2]" 1 20 1 12 GLU HA 1 12 GLU HG2 2.970 . 4.140 2.953 2.389 3.768 . 0 0 "[ . 1 . 2]" 1 21 1 12 GLU HA 1 12 GLU HG3 2.970 . 4.140 3.060 2.536 3.754 . 0 0 "[ . 1 . 2]" 1 22 1 12 GLU HA 1 15 GLN H 2.990 . 4.190 3.426 2.996 3.801 . 0 0 "[ . 1 . 2]" 1 23 1 12 GLU HA 1 15 GLN QB 3.070 . 4.350 2.782 2.316 4.142 . 0 0 "[ . 1 . 2]" 1 24 1 12 GLU QG 1 13 LEU H 3.390 . 4.990 3.979 3.390 4.574 . 0 0 "[ . 1 . 2]" 1 25 1 12 GLU HG2 1 13 LEU H 3.610 . 5.420 4.646 3.488 5.122 . 0 0 "[ . 1 . 2]" 1 26 1 12 GLU HG3 1 13 LEU H 3.610 . 5.420 4.484 4.003 5.292 . 0 0 "[ . 1 . 2]" 1 27 1 13 LEU H 1 13 LEU HB2 2.840 . 3.880 2.431 2.335 2.585 . 0 0 "[ . 1 . 2]" 1 28 1 13 LEU H 1 13 LEU QB 2.760 . 3.720 2.355 2.201 2.531 . 0 0 "[ . 1 . 2]" 1 29 1 13 LEU H 1 13 LEU HB3 2.840 . 3.880 3.375 2.534 3.609 . 0 0 "[ . 1 . 2]" 1 30 1 13 LEU H 1 13 LEU MD1 3.360 . 4.930 3.710 3.502 4.076 . 0 0 "[ . 1 . 2]" 1 31 1 13 LEU H 1 13 LEU MD2 3.440 . 5.090 3.625 2.936 4.256 . 0 0 "[ . 1 . 2]" 1 32 1 13 LEU H 1 13 LEU HG 3.180 . 4.570 2.853 2.234 4.511 . 0 0 "[ . 1 . 2]" 1 33 1 13 LEU H 1 14 VAL H 2.770 . 3.750 2.703 2.580 2.765 . 0 0 "[ . 1 . 2]" 1 34 1 13 LEU H 1 14 VAL MG2 3.860 . 5.930 4.069 3.819 4.277 . 0 0 "[ . 1 . 2]" 1 35 1 13 LEU H 1 42 LEU MD1 3.340 . 4.890 3.890 3.048 4.895 0.005 4 0 "[ . 1 . 2]" 1 36 1 13 LEU HA 1 13 LEU MD1 3.150 . 4.500 3.508 2.081 3.883 . 0 0 "[ . 1 . 2]" 1 37 1 13 LEU HA 1 13 LEU MD2 3.000 . 4.200 2.415 1.997 3.905 . 0 0 "[ . 1 . 2]" 1 38 1 13 LEU HA 1 16 ALA H 2.910 . 4.020 3.541 3.381 3.813 . 0 0 "[ . 1 . 2]" 1 39 1 13 LEU HA 1 42 LEU MD1 3.420 . 5.040 2.673 1.957 3.400 . 0 0 "[ . 1 . 2]" 1 40 1 13 LEU HB2 1 14 VAL H 3.200 . 4.600 2.769 2.442 3.802 . 0 0 "[ . 1 . 2]" 1 41 1 13 LEU HB3 1 14 VAL H 3.200 . 4.600 3.245 2.398 3.679 . 0 0 "[ . 1 . 2]" 1 42 1 13 LEU MD1 1 39 ILE HA 3.980 . 6.160 5.450 3.261 6.250 0.090 20 0 "[ . 1 . 2]" 1 43 1 13 LEU MD1 1 43 ILE H 3.930 . 6.070 4.526 2.965 5.480 . 0 0 "[ . 1 . 2]" 1 44 1 13 LEU MD1 1 43 ILE HA 3.670 . 5.540 3.245 2.573 4.058 . 0 0 "[ . 1 . 2]" 1 45 1 13 LEU MD1 1 43 ILE MD 3.750 . 5.710 4.419 3.017 5.465 . 0 0 "[ . 1 . 2]" 1 46 1 13 LEU MD1 1 43 ILE MG 4.290 . 6.780 4.238 3.393 5.167 . 0 0 "[ . 1 . 2]" 1 47 1 13 LEU MD1 1 46 HIS HD1 3.430 . 5.060 4.113 2.454 5.097 0.037 7 0 "[ . 1 . 2]" 1 48 1 13 LEU MD1 1 68 TRP HZ2 3.470 . 5.140 3.705 2.528 4.824 . 0 0 "[ . 1 . 2]" 1 49 1 13 LEU MD2 1 14 VAL H 3.910 . 6.020 4.547 4.088 4.698 . 0 0 "[ . 1 . 2]" 1 50 1 13 LEU MD2 1 42 LEU HB2 3.230 . 4.660 2.768 2.006 4.703 0.043 9 0 "[ . 1 . 2]" 1 51 1 13 LEU MD2 1 42 LEU QB 2.950 . 4.110 2.352 1.881 4.045 . 0 0 "[ . 1 . 2]" 1 52 1 13 LEU MD2 1 42 LEU HB3 3.230 . 4.660 2.625 1.936 4.454 . 0 0 "[ . 1 . 2]" 1 53 1 13 LEU MD2 1 68 TRP HZ2 3.610 . 5.420 3.804 2.949 5.023 . 0 0 "[ . 1 . 2]" 1 54 1 14 VAL H 1 14 VAL HB 2.630 . 3.470 2.580 2.498 2.639 . 0 0 "[ . 1 . 2]" 1 55 1 14 VAL H 1 14 VAL MG1 3.170 . 4.540 3.775 3.764 3.792 . 0 0 "[ . 1 . 2]" 1 56 1 14 VAL H 1 14 VAL MG2 2.640 . 3.490 2.031 1.936 2.190 . 0 0 "[ . 1 . 2]" 1 57 1 14 VAL H 1 15 GLN H 2.610 . 3.420 2.716 2.626 2.793 . 0 0 "[ . 1 . 2]" 1 58 1 14 VAL HA 1 14 VAL MG2 2.690 . 3.580 2.399 2.328 2.451 . 0 0 "[ . 1 . 2]" 1 59 1 14 VAL HA 1 17 PHE H 3.240 . 4.680 3.604 3.404 3.805 . 0 0 "[ . 1 . 2]" 1 60 1 14 VAL HA 1 17 PHE HB2 3.950 . 6.100 2.928 2.536 3.429 . 0 0 "[ . 1 . 2]" 1 61 1 14 VAL HA 1 17 PHE QB 3.570 . 5.350 2.876 2.512 3.164 . 0 0 "[ . 1 . 2]" 1 62 1 14 VAL HA 1 17 PHE HB3 3.950 . 6.100 4.461 3.347 4.842 . 0 0 "[ . 1 . 2]" 1 63 1 14 VAL HB 1 15 GLN H 2.880 . 3.960 2.551 2.434 2.718 . 0 0 "[ . 1 . 2]" 1 64 1 14 VAL MG1 1 15 GLN H 3.110 . 4.430 3.432 3.309 3.568 . 0 0 "[ . 1 . 2]" 1 65 1 14 VAL MG1 1 15 GLN HA 3.720 . 5.650 3.448 3.270 3.614 . 0 0 "[ . 1 . 2]" 1 66 1 14 VAL MG1 1 18 GLN H 3.930 . 6.070 4.033 3.565 4.360 . 0 0 "[ . 1 . 2]" 1 67 1 14 VAL MG1 1 18 GLN HG2 3.380 . 4.970 3.265 2.460 5.238 0.268 15 0 "[ . 1 . 2]" 1 68 1 14 VAL MG1 1 18 GLN QG 3.280 . 4.770 2.800 2.275 4.294 . 0 0 "[ . 1 . 2]" 1 69 1 14 VAL MG1 1 18 GLN HG3 3.380 . 4.970 3.256 2.546 5.110 0.140 9 0 "[ . 1 . 2]" 1 70 1 14 VAL MG2 1 15 GLN H 3.160 . 4.530 3.776 3.638 3.907 . 0 0 "[ . 1 . 2]" 1 71 1 14 VAL MG2 1 102 ARG QD 3.160 . 4.520 3.023 1.908 4.487 . 0 0 "[ . 1 . 2]" 1 72 1 15 GLN H 1 15 GLN QB 2.510 . 3.220 2.459 2.082 2.718 . 0 0 "[ . 1 . 2]" 1 73 1 15 GLN H 1 15 GLN HG2 2.860 . 3.930 2.832 1.972 4.337 0.407 7 0 "[ . 1 . 2]" 1 74 1 15 GLN H 1 15 GLN HG3 2.860 . 3.930 3.008 2.083 4.222 0.292 7 0 "[ . 1 . 2]" 1 75 1 15 GLN H 1 16 ALA H 2.620 . 3.440 2.683 2.623 2.742 . 0 0 "[ . 1 . 2]" 1 76 1 15 GLN H 1 16 ALA MB 4.010 . 6.230 4.358 4.293 4.412 . 0 0 "[ . 1 . 2]" 1 77 1 15 GLN HA 1 18 GLN H 2.960 . 4.120 3.497 3.206 3.864 . 0 0 "[ . 1 . 2]" 1 78 1 15 GLN HA 1 18 GLN QB 3.450 . 5.100 2.724 2.214 3.138 . 0 0 "[ . 1 . 2]" 1 79 1 15 GLN QB 1 16 ALA H 2.630 . 3.470 2.584 2.404 3.447 . 0 0 "[ . 1 . 2]" 1 80 1 16 ALA H 1 16 ALA MB 2.660 . 3.530 2.237 2.224 2.245 . 0 0 "[ . 1 . 2]" 1 81 1 16 ALA H 1 17 PHE H 2.690 . 3.590 2.694 2.613 2.785 . 0 0 "[ . 1 . 2]" 1 82 1 16 ALA H 1 42 LEU MD1 3.490 . 5.180 4.058 3.417 4.732 . 0 0 "[ . 1 . 2]" 1 83 1 16 ALA MB 1 17 PHE H 2.920 . 4.050 2.505 2.424 2.623 . 0 0 "[ . 1 . 2]" 1 84 1 16 ALA MB 1 35 VAL MG1 2.960 . 4.130 2.966 2.329 3.772 . 0 0 "[ . 1 . 2]" 1 85 1 16 ALA MB 1 39 ILE H 3.990 . 6.190 4.512 3.881 5.310 . 0 0 "[ . 1 . 2]" 1 86 1 16 ALA MB 1 39 ILE HA 3.900 . 6.000 3.645 3.118 4.235 . 0 0 "[ . 1 . 2]" 1 87 1 16 ALA MB 1 39 ILE MD 2.920 . 4.040 2.500 1.880 3.346 . 0 0 "[ . 1 . 2]" 1 88 1 16 ALA MB 1 39 ILE HG12 3.810 . 5.830 2.855 1.904 4.224 . 0 0 "[ . 1 . 2]" 1 89 1 16 ALA MB 1 39 ILE QG 3.470 . 5.140 2.714 1.855 3.853 . 0 0 "[ . 1 . 2]" 1 90 1 16 ALA MB 1 39 ILE HG13 3.810 . 5.830 3.509 2.557 4.446 . 0 0 "[ . 1 . 2]" 1 91 1 17 PHE H 1 17 PHE HB2 2.770 . 3.750 2.351 2.271 2.571 . 0 0 "[ . 1 . 2]" 1 92 1 17 PHE H 1 17 PHE QB 2.690 . 3.590 2.317 2.192 2.520 . 0 0 "[ . 1 . 2]" 1 93 1 17 PHE H 1 17 PHE HB3 2.770 . 3.750 3.548 2.839 3.625 . 0 0 "[ . 1 . 2]" 1 94 1 17 PHE H 1 18 GLN H 2.800 . 3.800 2.659 2.572 2.747 . 0 0 "[ . 1 . 2]" 1 95 1 17 PHE HA 1 20 LEU H 3.070 . 4.340 3.134 3.012 3.241 . 0 0 "[ . 1 . 2]" 1 96 1 17 PHE HA 1 20 LEU QB 3.540 . 5.290 2.260 2.114 2.543 . 0 0 "[ . 1 . 2]" 1 97 1 17 PHE HA 1 20 LEU MD2 3.430 . 5.070 3.024 2.816 3.297 . 0 0 "[ . 1 . 2]" 1 98 1 17 PHE HA 1 39 ILE MD 3.180 . 4.570 3.062 1.991 3.624 . 0 0 "[ . 1 . 2]" 1 99 1 17 PHE HB2 1 18 GLN H 3.280 . 4.770 2.895 2.687 3.685 . 0 0 "[ . 1 . 2]" 1 100 1 17 PHE HB3 1 18 GLN H 3.280 . 4.770 3.537 2.718 3.767 . 0 0 "[ . 1 . 2]" 1 101 1 17 PHE QD 1 18 GLN H 3.420 . 5.040 4.481 4.112 4.648 . 0 0 "[ . 1 . 2]" 1 102 1 17 PHE QD 1 20 LEU MD2 3.760 . 5.720 2.463 1.991 3.464 . 0 0 "[ . 1 . 2]" 1 103 1 17 PHE QD 1 39 ILE MD 3.410 . 5.030 3.029 2.232 3.722 . 0 0 "[ . 1 . 2]" 1 104 1 17 PHE QD 1 39 ILE MG 3.000 . 4.200 3.810 2.429 4.255 0.055 8 0 "[ . 1 . 2]" 1 105 1 17 PHE QE 1 20 LEU MD2 3.380 . 4.960 3.216 2.696 4.089 . 0 0 "[ . 1 . 2]" 1 106 1 17 PHE QE 1 43 ILE MD 3.010 . 4.220 3.981 3.145 4.352 0.132 20 0 "[ . 1 . 2]" 1 107 1 18 GLN H 1 18 GLN HB2 2.650 . 3.510 2.452 2.328 2.557 . 0 0 "[ . 1 . 2]" 1 108 1 18 GLN H 1 18 GLN HB3 2.650 . 3.510 3.438 2.529 3.600 0.090 16 0 "[ . 1 . 2]" 1 109 1 18 GLN H 1 18 GLN HG2 3.130 . 4.460 2.916 2.137 4.526 0.066 9 0 "[ . 1 . 2]" 1 110 1 18 GLN H 1 18 GLN QG 3.040 . 4.280 2.536 2.109 4.016 . 0 0 "[ . 1 . 2]" 1 111 1 18 GLN H 1 18 GLN HG3 3.130 . 4.460 3.476 2.134 4.521 0.061 2 0 "[ . 1 . 2]" 1 112 1 18 GLN H 1 19 ARG H 2.690 . 3.580 2.657 2.546 2.738 . 0 0 "[ . 1 . 2]" 1 113 1 18 GLN HA 1 21 ARG HB2 3.050 . 4.300 3.175 2.672 3.976 . 0 0 "[ . 1 . 2]" 1 114 1 18 GLN HA 1 21 ARG QB 2.920 . 4.040 2.846 2.491 3.251 . 0 0 "[ . 1 . 2]" 1 115 1 18 GLN HA 1 21 ARG HB3 3.050 . 4.300 3.598 2.682 4.461 0.161 18 0 "[ . 1 . 2]" 1 116 1 18 GLN QB 1 19 ARG H 2.960 . 4.130 2.546 2.417 2.761 . 0 0 "[ . 1 . 2]" 1 117 1 18 GLN HB2 1 19 ARG H 3.090 . 4.380 2.788 2.456 3.820 . 0 0 "[ . 1 . 2]" 1 118 1 18 GLN HB3 1 19 ARG H 3.090 . 4.380 3.436 2.495 3.754 . 0 0 "[ . 1 . 2]" 1 119 1 19 ARG H 1 19 ARG HB2 2.970 . 4.140 2.541 2.219 3.629 . 0 0 "[ . 1 . 2]" 1 120 1 19 ARG H 1 19 ARG HB3 2.970 . 4.140 3.085 2.259 3.617 . 0 0 "[ . 1 . 2]" 1 121 1 19 ARG H 1 19 ARG QD 3.600 . 5.410 3.974 2.198 4.884 . 0 0 "[ . 1 . 2]" 1 122 1 19 ARG H 1 19 ARG QG 3.380 . 4.970 3.093 2.016 4.028 . 0 0 "[ . 1 . 2]" 1 123 1 19 ARG H 1 20 LEU H 2.660 . 3.520 2.560 2.502 2.639 . 0 0 "[ . 1 . 2]" 1 124 1 19 ARG HA 1 22 GLU H 2.990 . 4.190 3.363 3.118 3.700 . 0 0 "[ . 1 . 2]" 1 125 1 19 ARG QB 1 20 LEU H 3.010 . 4.230 2.654 2.392 3.520 . 0 0 "[ . 1 . 2]" 1 126 1 19 ARG HB2 1 20 LEU H 3.120 . 4.440 3.241 2.464 4.095 . 0 0 "[ . 1 . 2]" 1 127 1 19 ARG HB3 1 20 LEU H 3.120 . 4.440 3.235 2.424 3.837 . 0 0 "[ . 1 . 2]" 1 128 1 20 LEU H 1 20 LEU HB2 2.740 . 3.680 2.413 2.311 2.517 . 0 0 "[ . 1 . 2]" 1 129 1 20 LEU H 1 20 LEU QB 2.610 . 3.430 2.205 2.172 2.229 . 0 0 "[ . 1 . 2]" 1 130 1 20 LEU H 1 20 LEU HB3 2.740 . 3.680 2.557 2.473 2.667 . 0 0 "[ . 1 . 2]" 1 131 1 20 LEU H 1 20 LEU MD1 3.540 . 5.280 4.012 3.895 4.107 . 0 0 "[ . 1 . 2]" 1 132 1 20 LEU H 1 20 LEU MD2 3.220 . 4.640 4.231 4.194 4.257 . 0 0 "[ . 1 . 2]" 1 133 1 20 LEU H 1 22 GLU H 3.190 . 4.580 4.169 4.026 4.403 . 0 0 "[ . 1 . 2]" 1 134 1 20 LEU H 1 35 VAL MG1 3.110 . 4.430 3.476 2.716 4.097 . 0 0 "[ . 1 . 2]" 1 135 1 20 LEU HA 1 20 LEU MD1 2.720 . 3.650 2.140 2.081 2.192 . 0 0 "[ . 1 . 2]" 1 136 1 20 LEU HA 1 20 LEU MD2 3.440 . 5.090 3.908 3.876 3.938 . 0 0 "[ . 1 . 2]" 1 137 1 20 LEU HA 1 23 ILE H 3.390 . 4.990 3.490 3.267 3.807 . 0 0 "[ . 1 . 2]" 1 138 1 20 LEU HA 1 23 ILE HB 3.030 . 4.260 2.757 2.415 3.117 . 0 0 "[ . 1 . 2]" 1 139 1 20 LEU HA 1 35 VAL MG1 2.860 . 3.930 3.055 2.461 3.488 . 0 0 "[ . 1 . 2]" 1 140 1 20 LEU QB 1 91 LEU MD2 3.350 . 4.910 4.473 3.894 4.989 0.079 9 0 "[ . 1 . 2]" 1 141 1 20 LEU HB2 1 21 ARG H 2.940 . 4.080 3.780 3.690 3.915 . 0 0 "[ . 1 . 2]" 1 142 1 20 LEU HB3 1 21 ARG H 2.940 . 4.080 2.528 2.411 2.656 . 0 0 "[ . 1 . 2]" 1 143 1 20 LEU MD1 1 35 VAL MG1 2.770 . 3.750 2.224 2.031 2.658 . 0 0 "[ . 1 . 2]" 1 144 1 20 LEU MD2 1 75 PHE QD 3.210 . 4.630 3.909 3.347 4.659 0.029 20 0 "[ . 1 . 2]" 1 145 1 20 LEU MD2 1 94 LEU MD2 3.210 . 4.620 3.098 2.466 4.129 . 0 0 "[ . 1 . 2]" 1 146 1 21 ARG H 1 21 ARG HB2 2.780 . 3.770 2.451 2.184 2.726 . 0 0 "[ . 1 . 2]" 1 147 1 21 ARG H 1 21 ARG QB 2.700 . 3.600 2.296 2.116 2.645 . 0 0 "[ . 1 . 2]" 1 148 1 21 ARG H 1 21 ARG HB3 2.780 . 3.770 2.952 2.470 3.610 . 0 0 "[ . 1 . 2]" 1 149 1 21 ARG H 1 21 ARG QG 2.960 . 4.120 3.380 1.803 4.023 . 0 0 "[ . 1 . 2]" 1 150 1 21 ARG H 1 22 GLU H 2.680 . 3.560 2.686 2.600 2.790 . 0 0 "[ . 1 . 2]" 1 151 1 21 ARG HA 1 21 ARG QD 2.860 . 3.930 3.779 2.137 4.166 0.236 8 0 "[ . 1 . 2]" 1 152 1 21 ARG HA 1 24 PHE H 3.060 . 4.330 3.480 3.280 3.928 . 0 0 "[ . 1 . 2]" 1 153 1 21 ARG HA 1 24 PHE QB 3.730 . 5.670 2.476 2.159 2.957 . 0 0 "[ . 1 . 2]" 1 154 1 21 ARG HA 1 91 LEU MD1 4.030 . 6.260 3.662 2.698 4.385 . 0 0 "[ . 1 . 2]" 1 155 1 21 ARG HB2 1 22 GLU H 2.770 . 3.750 3.362 2.271 3.910 0.160 6 0 "[ . 1 . 2]" 1 156 1 21 ARG HB3 1 22 GLU H 2.770 . 3.750 2.908 2.434 3.638 . 0 0 "[ . 1 . 2]" 1 157 1 22 GLU H 1 22 GLU HB2 2.870 . 3.950 2.431 1.993 2.656 . 0 0 "[ . 1 . 2]" 1 158 1 22 GLU H 1 22 GLU QB 2.750 . 3.700 2.379 1.971 2.590 . 0 0 "[ . 1 . 2]" 1 159 1 22 GLU H 1 22 GLU HB3 2.870 . 3.950 3.499 2.400 3.623 . 0 0 "[ . 1 . 2]" 1 160 1 22 GLU H 1 22 GLU HG2 2.930 . 4.060 3.189 2.017 4.290 0.230 20 0 "[ . 1 . 2]" 1 161 1 22 GLU H 1 22 GLU QG 2.830 . 3.870 2.495 2.006 3.833 . 0 0 "[ . 1 . 2]" 1 162 1 22 GLU H 1 22 GLU HG3 2.930 . 4.060 3.047 2.157 4.314 0.254 20 0 "[ . 1 . 2]" 1 163 1 22 GLU H 1 23 ILE H 2.720 . 3.650 2.675 2.564 2.736 . 0 0 "[ . 1 . 2]" 1 164 1 22 GLU H 1 24 PHE H 3.300 . 4.800 4.074 4.014 4.188 . 0 0 "[ . 1 . 2]" 1 165 1 22 GLU HA 1 25 ASP H 3.140 . 4.490 3.451 3.308 3.670 . 0 0 "[ . 1 . 2]" 1 166 1 22 GLU HA 1 25 ASP HB2 3.310 . 4.820 3.507 3.117 3.847 . 0 0 "[ . 1 . 2]" 1 167 1 22 GLU HA 1 25 ASP HB3 3.310 . 4.820 2.740 2.251 3.231 . 0 0 "[ . 1 . 2]" 1 168 1 22 GLU QB 1 23 ILE H 3.010 . 4.230 2.500 2.404 2.650 . 0 0 "[ . 1 . 2]" 1 169 1 22 GLU HB2 1 23 ILE H 3.120 . 4.450 2.660 2.447 3.810 . 0 0 "[ . 1 . 2]" 1 170 1 22 GLU HB3 1 23 ILE H 3.120 . 4.450 3.431 2.447 3.739 . 0 0 "[ . 1 . 2]" 1 171 1 23 ILE H 1 23 ILE HB 2.590 . 3.380 2.481 2.370 2.541 . 0 0 "[ . 1 . 2]" 1 172 1 23 ILE H 1 23 ILE MD 2.940 . 4.080 3.561 3.483 3.676 . 0 0 "[ . 1 . 2]" 1 173 1 23 ILE H 1 23 ILE HG12 3.020 . 4.240 3.432 3.338 3.647 . 0 0 "[ . 1 . 2]" 1 174 1 23 ILE H 1 23 ILE QG 2.840 . 3.890 2.135 2.026 2.385 . 0 0 "[ . 1 . 2]" 1 175 1 23 ILE H 1 23 ILE HG13 3.020 . 4.240 2.157 2.044 2.418 . 0 0 "[ . 1 . 2]" 1 176 1 23 ILE H 1 23 ILE MG 3.160 . 4.530 3.751 3.729 3.771 . 0 0 "[ . 1 . 2]" 1 177 1 23 ILE H 1 24 PHE H 2.680 . 3.570 2.641 2.571 2.729 . 0 0 "[ . 1 . 2]" 1 178 1 23 ILE HA 1 23 ILE MD 3.170 . 4.550 3.817 3.772 3.843 . 0 0 "[ . 1 . 2]" 1 179 1 23 ILE HA 1 23 ILE HG12 3.020 . 4.250 2.506 2.416 2.562 . 0 0 "[ . 1 . 2]" 1 180 1 23 ILE HA 1 23 ILE QG 2.870 . 3.950 2.378 2.292 2.431 . 0 0 "[ . 1 . 2]" 1 181 1 23 ILE HA 1 23 ILE HG13 3.020 . 4.250 2.959 2.848 3.025 . 0 0 "[ . 1 . 2]" 1 182 1 23 ILE HA 1 26 LYS H 3.850 . 5.900 3.372 3.184 3.664 . 0 0 "[ . 1 . 2]" 1 183 1 23 ILE HA 1 26 LYS QB 3.220 . 4.650 2.736 2.232 3.333 . 0 0 "[ . 1 . 2]" 1 184 1 23 ILE HA 1 28 ASP H 3.480 . 5.160 4.078 3.733 4.569 . 0 0 "[ . 1 . 2]" 1 185 1 23 ILE HB 1 24 PHE H 2.870 . 3.940 2.610 2.467 2.786 . 0 0 "[ . 1 . 2]" 1 186 1 23 ILE MD 1 24 PHE H 3.960 . 6.130 4.578 4.446 4.772 . 0 0 "[ . 1 . 2]" 1 187 1 23 ILE MD 1 31 SER HB2 3.740 . 5.680 2.645 2.198 3.167 . 0 0 "[ . 1 . 2]" 1 188 1 23 ILE MD 1 31 SER QB 3.610 . 5.430 2.217 1.856 2.948 . 0 0 "[ . 1 . 2]" 1 189 1 23 ILE MD 1 31 SER HB3 3.740 . 5.680 2.528 1.984 4.163 . 0 0 "[ . 1 . 2]" 1 190 1 23 ILE MD 1 32 LEU H 3.410 . 5.030 4.048 3.574 4.410 . 0 0 "[ . 1 . 2]" 1 191 1 23 ILE MD 1 32 LEU HA 2.570 . 3.350 3.220 2.761 3.469 0.119 16 0 "[ . 1 . 2]" 1 192 1 23 ILE MD 1 35 VAL H 3.610 . 5.420 4.203 3.949 4.449 . 0 0 "[ . 1 . 2]" 1 193 1 23 ILE MD 1 35 VAL HB 2.870 . 3.940 3.452 3.038 4.024 0.084 8 0 "[ . 1 . 2]" 1 194 1 23 ILE MD 1 35 VAL MG1 2.950 . 4.110 3.205 2.581 3.687 . 0 0 "[ . 1 . 2]" 1 195 1 23 ILE MD 1 35 VAL MG2 2.800 . 3.810 1.876 1.793 2.017 . 0 0 "[ . 1 . 2]" 1 196 1 23 ILE MG 1 24 PHE H 3.430 . 5.060 3.371 3.247 3.484 . 0 0 "[ . 1 . 2]" 1 197 1 23 ILE MG 1 24 PHE HA 3.420 . 5.050 3.443 3.341 3.555 . 0 0 "[ . 1 . 2]" 1 198 1 23 ILE MG 1 28 ASP H 3.550 . 5.300 3.071 2.833 3.354 . 0 0 "[ . 1 . 2]" 1 199 1 23 ILE MG 1 28 ASP HB2 3.400 . 5.000 3.315 1.938 3.843 . 0 0 "[ . 1 . 2]" 1 200 1 23 ILE MG 1 28 ASP QB 3.300 . 4.810 2.006 1.836 2.413 . 0 0 "[ . 1 . 2]" 1 201 1 23 ILE MG 1 28 ASP HB3 3.400 . 5.000 2.080 1.849 3.101 . 0 0 "[ . 1 . 2]" 1 202 1 23 ILE MG 1 31 SER H 4.400 . 7.000 3.676 3.443 3.996 . 0 0 "[ . 1 . 2]" 1 203 1 23 ILE MG 1 31 SER HB2 3.700 . 5.610 2.210 1.776 3.802 0.014 17 0 "[ . 1 . 2]" 1 204 1 23 ILE MG 1 31 SER HB3 3.700 . 5.610 3.100 2.729 4.213 . 0 0 "[ . 1 . 2]" 1 205 1 23 ILE MG 1 32 LEU H 3.260 . 4.720 2.702 2.472 2.936 . 0 0 "[ . 1 . 2]" 1 206 1 23 ILE MG 1 32 LEU HA 2.750 . 3.700 2.544 2.256 3.007 . 0 0 "[ . 1 . 2]" 1 207 1 24 PHE H 1 24 PHE HB2 2.750 . 3.710 2.653 2.389 2.828 . 0 0 "[ . 1 . 2]" 1 208 1 24 PHE H 1 24 PHE HB3 2.750 . 3.710 2.401 2.276 2.609 . 0 0 "[ . 1 . 2]" 1 209 1 24 PHE H 1 24 PHE QD 3.200 . 4.610 4.155 4.057 4.204 . 0 0 "[ . 1 . 2]" 1 210 1 24 PHE H 1 25 ASP H 2.890 . 3.980 2.662 2.572 2.731 . 0 0 "[ . 1 . 2]" 1 211 1 24 PHE H 1 32 LEU MD2 3.660 . 5.520 4.774 2.432 5.581 0.061 19 0 "[ . 1 . 2]" 1 212 1 24 PHE QB 1 25 ASP H 2.980 . 4.160 2.607 2.397 2.679 . 0 0 "[ . 1 . 2]" 1 213 1 24 PHE QB 1 91 LEU MD1 3.630 . 5.470 3.622 2.848 4.279 . 0 0 "[ . 1 . 2]" 1 214 1 24 PHE HB2 1 25 ASP H 3.090 . 4.380 3.948 3.692 4.029 . 0 0 "[ . 1 . 2]" 1 215 1 24 PHE HB2 1 91 LEU MD1 3.920 . 6.040 4.498 3.285 5.346 . 0 0 "[ . 1 . 2]" 1 216 1 24 PHE HB3 1 25 ASP H 3.090 . 4.380 2.645 2.428 2.720 . 0 0 "[ . 1 . 2]" 1 217 1 24 PHE HB3 1 91 LEU MD1 3.920 . 6.040 3.835 3.124 4.590 . 0 0 "[ . 1 . 2]" 1 218 1 24 PHE QD 1 25 ASP H 3.910 . 6.020 3.496 3.058 3.720 . 0 0 "[ . 1 . 2]" 1 219 1 24 PHE QD 1 32 LEU MD1 3.100 . 4.410 3.000 2.043 4.029 . 0 0 "[ . 1 . 2]" 1 220 1 24 PHE QD 1 32 LEU MD2 3.300 . 4.810 3.050 2.067 4.823 0.013 8 0 "[ . 1 . 2]" 1 221 1 24 PHE QD 1 91 LEU MD1 2.870 . 3.940 2.576 2.029 3.252 . 0 0 "[ . 1 . 2]" 1 222 1 24 PHE QD 1 91 LEU MD2 3.050 . 4.300 3.687 2.430 4.341 0.041 14 0 "[ . 1 . 2]" 1 223 1 24 PHE HZ 1 88 GLU H 3.270 . 4.750 4.416 3.536 4.883 0.133 11 0 "[ . 1 . 2]" 1 224 1 25 ASP H 1 25 ASP HB2 2.800 . 3.800 2.575 2.464 2.696 . 0 0 "[ . 1 . 2]" 1 225 1 25 ASP H 1 25 ASP QB 2.690 . 3.590 2.243 2.200 2.280 . 0 0 "[ . 1 . 2]" 1 226 1 25 ASP H 1 25 ASP HB3 2.800 . 3.800 2.481 2.333 2.621 . 0 0 "[ . 1 . 2]" 1 227 1 25 ASP H 1 26 LYS H 2.730 . 3.660 2.610 2.508 2.681 . 0 0 "[ . 1 . 2]" 1 228 1 25 ASP QB 1 26 LYS H 3.040 . 4.280 2.790 2.690 2.943 . 0 0 "[ . 1 . 2]" 1 229 1 25 ASP HB2 1 26 LYS H 3.150 . 4.500 4.026 3.922 4.096 . 0 0 "[ . 1 . 2]" 1 230 1 25 ASP HB3 1 26 LYS H 3.150 . 4.500 2.846 2.738 3.018 . 0 0 "[ . 1 . 2]" 1 231 1 26 LYS H 1 26 LYS QB 2.490 . 3.190 2.361 2.171 2.613 . 0 0 "[ . 1 . 2]" 1 232 1 26 LYS H 1 26 LYS QD 3.640 . 5.490 3.840 2.382 4.606 . 0 0 "[ . 1 . 2]" 1 233 1 26 LYS H 1 26 LYS QG 2.780 . 3.760 2.923 2.201 3.950 0.190 16 0 "[ . 1 . 2]" 1 234 1 26 LYS QB 1 26 LYS QD 2.680 . 3.560 2.247 2.104 2.438 . 0 0 "[ . 1 . 2]" 1 235 1 26 LYS QB 1 28 ASP H 3.320 . 4.840 2.936 2.641 3.408 . 0 0 "[ . 1 . 2]" 1 236 1 27 GLY H 1 28 ASP H 2.860 . 3.930 2.510 2.407 2.611 . 0 0 "[ . 1 . 2]" 1 237 1 28 ASP H 1 28 ASP HB2 2.810 . 3.830 2.638 2.401 2.787 . 0 0 "[ . 1 . 2]" 1 238 1 28 ASP H 1 28 ASP HB3 2.810 . 3.830 2.712 2.594 3.631 . 0 0 "[ . 1 . 2]" 1 239 1 29 ASP HA 1 32 LEU H 3.540 . 5.290 3.409 3.113 3.633 . 0 0 "[ . 1 . 2]" 1 240 1 29 ASP HA 1 32 LEU MD1 3.180 . 4.570 3.915 1.901 4.605 0.035 10 0 "[ . 1 . 2]" 1 241 1 29 ASP HA 1 32 LEU MD2 3.470 . 5.140 3.196 2.615 4.347 . 0 0 "[ . 1 . 2]" 1 242 1 30 ASP H 1 30 ASP QB 2.760 . 3.730 2.312 2.214 2.715 . 0 0 "[ . 1 . 2]" 1 243 1 30 ASP H 1 31 SER H 3.450 . 5.100 2.775 2.676 2.862 . 0 0 "[ . 1 . 2]" 1 244 1 30 ASP QB 1 31 SER H 3.020 . 4.240 2.536 2.321 3.443 . 0 0 "[ . 1 . 2]" 1 245 1 31 SER H 1 32 LEU H 2.780 . 3.770 2.516 2.480 2.625 . 0 0 "[ . 1 . 2]" 1 246 1 31 SER QB 1 35 VAL MG2 4.200 . 6.610 3.246 2.707 3.849 . 0 0 "[ . 1 . 2]" 1 247 1 32 LEU H 1 32 LEU HB2 2.650 . 3.500 2.347 2.186 2.428 . 0 0 "[ . 1 . 2]" 1 248 1 32 LEU H 1 32 LEU QB 2.550 . 3.300 2.200 2.116 2.373 . 0 0 "[ . 1 . 2]" 1 249 1 32 LEU H 1 32 LEU HB3 2.650 . 3.500 2.718 2.546 3.584 0.084 17 0 "[ . 1 . 2]" 1 250 1 32 LEU H 1 32 LEU MD1 3.480 . 5.160 3.962 3.674 4.100 . 0 0 "[ . 1 . 2]" 1 251 1 32 LEU H 1 32 LEU MD2 3.530 . 5.260 4.170 3.482 4.321 . 0 0 "[ . 1 . 2]" 1 252 1 32 LEU H 1 33 GLU H 2.850 . 3.910 2.756 2.677 2.854 . 0 0 "[ . 1 . 2]" 1 253 1 32 LEU HA 1 32 LEU MD1 2.840 . 3.880 2.550 2.068 3.862 . 0 0 "[ . 1 . 2]" 1 254 1 32 LEU HA 1 32 LEU MD2 3.030 . 4.260 3.562 1.999 3.920 . 0 0 "[ . 1 . 2]" 1 255 1 32 LEU HA 1 35 VAL H 3.130 . 4.470 3.657 3.470 3.878 . 0 0 "[ . 1 . 2]" 1 256 1 32 LEU HA 1 35 VAL HB 3.080 . 4.360 3.163 2.777 3.551 . 0 0 "[ . 1 . 2]" 1 257 1 32 LEU HA 1 35 VAL MG2 3.100 . 4.400 3.296 2.589 3.658 . 0 0 "[ . 1 . 2]" 1 258 1 32 LEU HB2 1 33 GLU H 3.400 . 5.000 3.579 2.508 3.783 . 0 0 "[ . 1 . 2]" 1 259 1 32 LEU HB3 1 33 GLU H 3.400 . 5.000 2.530 2.356 3.402 . 0 0 "[ . 1 . 2]" 1 260 1 32 LEU MD1 1 33 GLU H 3.880 . 5.960 4.597 4.423 4.675 . 0 0 "[ . 1 . 2]" 1 261 1 32 LEU MD2 1 33 GLU H 3.830 . 5.870 4.050 3.463 4.651 . 0 0 "[ . 1 . 2]" 1 262 1 32 LEU MD2 1 36 LEU MD1 2.980 . 4.160 3.338 2.110 4.202 0.042 16 0 "[ . 1 . 2]" 1 263 1 32 LEU MD2 1 36 LEU MD2 2.940 . 4.080 3.939 2.668 4.171 0.091 20 0 "[ . 1 . 2]" 1 264 1 33 GLU H 1 33 GLU QB 2.450 . 3.100 2.296 2.039 2.480 . 0 0 "[ . 1 . 2]" 1 265 1 33 GLU H 1 33 GLU QG 2.830 . 3.870 3.149 2.169 4.021 0.151 11 0 "[ . 1 . 2]" 1 266 1 33 GLU H 1 34 GLN H 2.790 . 3.790 2.665 2.610 2.758 . 0 0 "[ . 1 . 2]" 1 267 1 33 GLU HA 1 36 LEU H 3.080 . 4.370 3.479 3.201 3.715 . 0 0 "[ . 1 . 2]" 1 268 1 33 GLU HA 1 36 LEU QB 3.800 . 5.800 2.861 2.304 3.401 . 0 0 "[ . 1 . 2]" 1 269 1 33 GLU HA 1 36 LEU MD1 3.210 . 4.630 2.178 2.010 2.502 . 0 0 "[ . 1 . 2]" 1 270 1 33 GLU QB 1 34 GLN H 2.680 . 3.560 2.625 2.484 2.746 . 0 0 "[ . 1 . 2]" 1 271 1 34 GLN H 1 34 GLN QG 3.230 . 4.670 2.744 2.013 4.050 . 0 0 "[ . 1 . 2]" 1 272 1 34 GLN H 1 35 VAL H 2.780 . 3.760 2.686 2.608 2.752 . 0 0 "[ . 1 . 2]" 1 273 1 34 GLN QB 1 35 VAL H 2.750 . 3.700 2.554 2.343 2.666 . 0 0 "[ . 1 . 2]" 1 274 1 34 GLN QG 1 35 VAL H 3.870 . 5.940 3.934 3.211 4.307 . 0 0 "[ . 1 . 2]" 1 275 1 34 GLN QG 1 35 VAL MG2 4.170 . 6.550 4.453 3.343 4.972 . 0 0 "[ . 1 . 2]" 1 276 1 35 VAL H 1 35 VAL HB 2.660 . 3.520 2.541 2.487 2.618 . 0 0 "[ . 1 . 2]" 1 277 1 35 VAL H 1 35 VAL MG1 3.100 . 4.400 3.781 3.767 3.789 . 0 0 "[ . 1 . 2]" 1 278 1 35 VAL H 1 35 VAL MG2 2.730 . 3.660 2.130 2.002 2.230 . 0 0 "[ . 1 . 2]" 1 279 1 35 VAL H 1 36 LEU H 2.630 . 3.470 2.637 2.559 2.726 . 0 0 "[ . 1 . 2]" 1 280 1 35 VAL HA 1 35 VAL MG2 2.710 . 3.620 2.353 2.302 2.419 . 0 0 "[ . 1 . 2]" 1 281 1 35 VAL HA 1 38 GLU H 3.240 . 4.680 3.119 3.029 3.295 . 0 0 "[ . 1 . 2]" 1 282 1 35 VAL HA 1 38 GLU HB2 2.860 . 3.930 2.568 2.113 3.348 . 0 0 "[ . 1 . 2]" 1 283 1 35 VAL HA 1 38 GLU QB 2.760 . 3.730 2.424 2.101 2.578 . 0 0 "[ . 1 . 2]" 1 284 1 35 VAL HA 1 38 GLU HB3 2.860 . 3.930 3.718 2.511 4.081 0.151 17 0 "[ . 1 . 2]" 1 285 1 35 VAL HB 1 36 LEU H 2.870 . 3.950 2.829 2.730 2.995 . 0 0 "[ . 1 . 2]" 1 286 1 35 VAL MG1 1 36 LEU H 3.380 . 4.960 3.581 3.487 3.667 . 0 0 "[ . 1 . 2]" 1 287 1 35 VAL MG1 1 38 GLU QG 3.860 . 5.920 4.158 3.627 4.599 . 0 0 "[ . 1 . 2]" 1 288 1 35 VAL MG1 1 39 ILE MD 2.910 . 4.030 2.420 2.051 2.886 . 0 0 "[ . 1 . 2]" 1 289 1 35 VAL MG2 1 36 LEU H 3.390 . 4.990 3.918 3.802 4.057 . 0 0 "[ . 1 . 2]" 1 290 1 36 LEU H 1 36 LEU HB2 2.800 . 3.810 2.486 2.242 2.609 . 0 0 "[ . 1 . 2]" 1 291 1 36 LEU H 1 36 LEU QB 2.710 . 3.630 2.443 2.218 2.551 . 0 0 "[ . 1 . 2]" 1 292 1 36 LEU H 1 36 LEU HB3 2.800 . 3.810 3.599 3.526 3.614 . 0 0 "[ . 1 . 2]" 1 293 1 36 LEU H 1 36 LEU MD1 3.550 . 5.300 3.496 2.053 3.710 . 0 0 "[ . 1 . 2]" 1 294 1 36 LEU H 1 36 LEU MD2 3.810 . 5.830 3.368 3.026 3.989 . 0 0 "[ . 1 . 2]" 1 295 1 36 LEU H 1 36 LEU HG 2.740 . 3.690 2.454 2.109 3.866 0.176 6 0 "[ . 1 . 2]" 1 296 1 36 LEU H 1 37 GLU H 2.710 . 3.630 2.682 2.623 2.756 . 0 0 "[ . 1 . 2]" 1 297 1 36 LEU H 1 38 GLU H 3.500 . 5.200 4.092 4.017 4.199 . 0 0 "[ . 1 . 2]" 1 298 1 36 LEU HA 1 36 LEU MD1 3.260 . 4.720 3.746 2.604 3.886 . 0 0 "[ . 1 . 2]" 1 299 1 36 LEU HA 1 36 LEU MD2 2.810 . 3.830 2.221 1.984 3.766 . 0 0 "[ . 1 . 2]" 1 300 1 36 LEU QB 1 37 GLU H 2.930 . 4.060 2.604 2.462 2.714 . 0 0 "[ . 1 . 2]" 1 301 1 36 LEU HB2 1 37 GLU H 3.100 . 4.410 2.671 2.512 2.859 . 0 0 "[ . 1 . 2]" 1 302 1 36 LEU HB3 1 37 GLU H 3.100 . 4.410 3.633 3.382 3.753 . 0 0 "[ . 1 . 2]" 1 303 1 37 GLU H 1 37 GLU HB2 2.730 . 3.660 2.488 2.102 2.625 . 0 0 "[ . 1 . 2]" 1 304 1 37 GLU H 1 37 GLU QB 2.640 . 3.490 2.304 2.083 2.507 . 0 0 "[ . 1 . 2]" 1 305 1 37 GLU H 1 37 GLU HB3 2.730 . 3.660 2.980 2.361 3.617 . 0 0 "[ . 1 . 2]" 1 306 1 37 GLU H 1 37 GLU QG 3.260 . 4.720 3.295 2.177 4.037 . 0 0 "[ . 1 . 2]" 1 307 1 37 GLU H 1 38 GLU H 2.650 . 3.500 2.593 2.524 2.670 . 0 0 "[ . 1 . 2]" 1 308 1 37 GLU QG 1 38 GLU H 3.190 . 4.590 3.845 3.426 4.561 . 0 0 "[ . 1 . 2]" 1 309 1 38 GLU H 1 38 GLU HB2 2.840 . 3.890 2.419 2.237 2.571 . 0 0 "[ . 1 . 2]" 1 310 1 38 GLU H 1 38 GLU QB 2.730 . 3.670 2.343 2.140 2.517 . 0 0 "[ . 1 . 2]" 1 311 1 38 GLU H 1 38 GLU HB3 2.840 . 3.890 3.356 2.383 3.605 . 0 0 "[ . 1 . 2]" 1 312 1 38 GLU H 1 38 GLU HG2 2.920 . 4.050 3.248 2.057 4.344 0.294 8 0 "[ . 1 . 2]" 1 313 1 38 GLU H 1 38 GLU QG 2.830 . 3.860 2.608 2.045 3.833 . 0 0 "[ . 1 . 2]" 1 314 1 38 GLU H 1 38 GLU HG3 2.920 . 4.050 3.188 2.134 4.297 0.247 5 0 "[ . 1 . 2]" 1 315 1 38 GLU H 1 39 ILE H 2.700 . 3.610 2.638 2.566 2.744 . 0 0 "[ . 1 . 2]" 1 316 1 38 GLU HA 1 38 GLU QG 2.880 . 3.960 2.571 2.342 3.055 . 0 0 "[ . 1 . 2]" 1 317 1 38 GLU HA 1 40 GLU H 2.960 . 4.120 4.232 4.149 4.328 0.208 14 0 "[ . 1 . 2]" 1 318 1 38 GLU HA 1 41 GLU H 2.790 . 3.780 3.486 3.245 3.658 . 0 0 "[ . 1 . 2]" 1 319 1 38 GLU QB 1 39 ILE H 2.830 . 3.870 2.498 2.363 2.611 . 0 0 "[ . 1 . 2]" 1 320 1 38 GLU HB2 1 39 ILE H 2.950 . 4.100 2.806 2.436 3.883 . 0 0 "[ . 1 . 2]" 1 321 1 38 GLU HB3 1 39 ILE H 2.950 . 4.100 3.325 2.393 3.737 . 0 0 "[ . 1 . 2]" 1 322 1 39 ILE H 1 39 ILE HB 2.810 . 3.820 2.503 2.421 2.552 . 0 0 "[ . 1 . 2]" 1 323 1 39 ILE H 1 39 ILE MD 3.360 . 4.930 3.422 3.154 3.656 . 0 0 "[ . 1 . 2]" 1 324 1 39 ILE H 1 39 ILE HG12 3.210 . 4.620 2.872 2.138 3.581 . 0 0 "[ . 1 . 2]" 1 325 1 39 ILE H 1 39 ILE QG 3.090 . 4.380 2.153 2.082 2.311 . 0 0 "[ . 1 . 2]" 1 326 1 39 ILE H 1 39 ILE HG13 3.210 . 4.620 2.829 2.100 3.678 . 0 0 "[ . 1 . 2]" 1 327 1 39 ILE HA 1 39 ILE MD 3.300 . 4.810 3.018 2.005 3.845 . 0 0 "[ . 1 . 2]" 1 328 1 39 ILE HA 1 42 LEU H 3.200 . 4.600 3.363 3.170 3.621 . 0 0 "[ . 1 . 2]" 1 329 1 39 ILE HA 1 42 LEU QB 3.630 . 5.470 2.632 2.339 3.034 . 0 0 "[ . 1 . 2]" 1 330 1 39 ILE HA 1 42 LEU MD1 3.120 . 4.440 2.333 2.112 2.921 . 0 0 "[ . 1 . 2]" 1 331 1 39 ILE HB 1 40 GLU H 2.790 . 3.780 2.708 2.568 2.811 . 0 0 "[ . 1 . 2]" 1 332 1 39 ILE QG 1 40 GLU H 3.610 . 5.430 4.069 3.969 4.153 . 0 0 "[ . 1 . 2]" 1 333 1 39 ILE MG 1 40 GLU H 3.310 . 4.820 3.442 3.310 3.506 . 0 0 "[ . 1 . 2]" 1 334 1 39 ILE MG 1 40 GLU HA 3.620 . 5.450 3.372 3.266 3.487 . 0 0 "[ . 1 . 2]" 1 335 1 39 ILE MG 1 43 ILE MD 3.050 . 4.300 2.086 1.880 2.306 . 0 0 "[ . 1 . 2]" 1 336 1 39 ILE MG 1 68 TRP HZ2 3.000 . 4.210 3.848 3.008 4.548 0.338 16 0 "[ . 1 . 2]" 1 337 1 40 GLU H 1 40 GLU QB 2.850 . 3.900 2.299 2.173 2.488 . 0 0 "[ . 1 . 2]" 1 338 1 40 GLU H 1 40 GLU QG 3.370 . 4.950 3.455 2.142 4.042 . 0 0 "[ . 1 . 2]" 1 339 1 40 GLU H 1 41 GLU H 2.760 . 3.720 2.695 2.598 2.800 . 0 0 "[ . 1 . 2]" 1 340 1 40 GLU HA 1 43 ILE H 3.380 . 4.960 3.469 3.089 3.996 . 0 0 "[ . 1 . 2]" 1 341 1 40 GLU HA 1 43 ILE HB 3.140 . 4.490 2.784 2.367 3.504 . 0 0 "[ . 1 . 2]" 1 342 1 40 GLU HA 1 43 ILE MD 3.370 . 4.950 2.370 1.895 3.651 . 0 0 "[ . 1 . 2]" 1 343 1 40 GLU HA 1 43 ILE MG 3.640 . 5.490 4.086 3.790 4.770 . 0 0 "[ . 1 . 2]" 1 344 1 40 GLU QB 1 41 GLU H 2.860 . 3.920 2.520 2.404 2.674 . 0 0 "[ . 1 . 2]" 1 345 1 40 GLU QB 1 43 ILE MD 4.020 . 6.240 3.979 3.416 5.131 . 0 0 "[ . 1 . 2]" 1 346 1 40 GLU HB2 1 41 GLU H 3.130 . 4.460 3.442 2.447 3.962 . 0 0 "[ . 1 . 2]" 1 347 1 40 GLU HB3 1 41 GLU H 3.130 . 4.460 2.864 2.454 3.677 . 0 0 "[ . 1 . 2]" 1 348 1 41 GLU H 1 41 GLU HB2 2.610 . 3.420 2.452 2.160 2.647 . 0 0 "[ . 1 . 2]" 1 349 1 41 GLU H 1 41 GLU QB 2.500 . 3.200 2.311 2.140 2.577 . 0 0 "[ . 1 . 2]" 1 350 1 41 GLU H 1 41 GLU HB3 2.610 . 3.420 3.087 2.484 3.560 0.140 5 0 "[ . 1 . 2]" 1 351 1 41 GLU H 1 41 GLU QG 3.500 . 5.210 3.058 1.828 4.050 . 0 0 "[ . 1 . 2]" 1 352 1 41 GLU H 1 42 LEU H 2.640 . 3.490 2.637 2.570 2.712 . 0 0 "[ . 1 . 2]" 1 353 1 41 GLU H 1 42 LEU MD1 4.250 . 6.710 5.288 5.212 5.444 . 0 0 "[ . 1 . 2]" 1 354 1 41 GLU HA 1 41 GLU HG2 2.950 . 4.100 3.041 2.457 3.823 . 0 0 "[ . 1 . 2]" 1 355 1 41 GLU HA 1 41 GLU QG 2.760 . 3.730 2.667 2.363 3.033 . 0 0 "[ . 1 . 2]" 1 356 1 41 GLU HA 1 41 GLU HG3 2.950 . 4.100 3.181 2.569 3.736 . 0 0 "[ . 1 . 2]" 1 357 1 42 LEU H 1 42 LEU HB2 2.980 . 4.160 2.520 2.457 2.588 . 0 0 "[ . 1 . 2]" 1 358 1 42 LEU H 1 42 LEU QB 2.690 . 3.580 2.473 2.417 2.530 . 0 0 "[ . 1 . 2]" 1 359 1 42 LEU H 1 42 LEU HB3 2.980 . 4.160 3.590 3.571 3.607 . 0 0 "[ . 1 . 2]" 1 360 1 42 LEU H 1 42 LEU MD1 3.090 . 4.380 3.612 3.536 3.683 . 0 0 "[ . 1 . 2]" 1 361 1 42 LEU H 1 42 LEU MD2 3.110 . 4.430 3.215 3.048 3.472 . 0 0 "[ . 1 . 2]" 1 362 1 42 LEU H 1 42 LEU HG 2.620 . 3.450 2.215 2.056 2.315 . 0 0 "[ . 1 . 2]" 1 363 1 42 LEU H 1 43 ILE H 2.810 . 3.820 2.651 2.541 2.758 . 0 0 "[ . 1 . 2]" 1 364 1 42 LEU HA 1 42 LEU MD1 3.750 . 5.700 3.862 3.817 3.900 . 0 0 "[ . 1 . 2]" 1 365 1 42 LEU HA 1 42 LEU MD2 2.620 . 3.440 2.064 2.012 2.159 . 0 0 "[ . 1 . 2]" 1 366 1 42 LEU HA 1 42 LEU HG 2.810 . 3.820 3.148 3.022 3.243 . 0 0 "[ . 1 . 2]" 1 367 1 42 LEU QB 1 43 ILE H 3.010 . 4.220 2.551 2.481 2.628 . 0 0 "[ . 1 . 2]" 1 368 1 42 LEU HB2 1 43 ILE H 3.160 . 4.520 2.602 2.530 2.685 . 0 0 "[ . 1 . 2]" 1 369 1 42 LEU HB3 1 43 ILE H 3.160 . 4.520 3.672 3.584 3.765 . 0 0 "[ . 1 . 2]" 1 370 1 42 LEU MD2 1 45 LYS QD 2.960 . 4.120 2.893 2.039 4.147 0.027 18 0 "[ . 1 . 2]" 1 371 1 42 LEU HG 1 43 ILE H 3.020 . 4.240 4.266 4.044 4.328 0.088 1 0 "[ . 1 . 2]" 1 372 1 43 ILE H 1 43 ILE HB 2.660 . 3.530 2.512 2.420 2.551 . 0 0 "[ . 1 . 2]" 1 373 1 43 ILE H 1 43 ILE MD 3.600 . 5.410 3.589 3.494 3.760 . 0 0 "[ . 1 . 2]" 1 374 1 43 ILE H 1 43 ILE HG12 2.860 . 3.930 3.467 3.402 3.603 . 0 0 "[ . 1 . 2]" 1 375 1 43 ILE H 1 43 ILE QG 2.740 . 3.690 2.167 2.079 2.305 . 0 0 "[ . 1 . 2]" 1 376 1 43 ILE H 1 43 ILE HG13 2.860 . 3.930 2.190 2.098 2.333 . 0 0 "[ . 1 . 2]" 1 377 1 43 ILE H 1 44 GLN H 2.830 . 3.860 2.713 2.640 2.750 . 0 0 "[ . 1 . 2]" 1 378 1 43 ILE HA 1 43 ILE MD 3.160 . 4.520 3.837 3.792 3.865 . 0 0 "[ . 1 . 2]" 1 379 1 43 ILE HA 1 46 HIS H 3.660 . 5.530 3.510 3.286 3.681 . 0 0 "[ . 1 . 2]" 1 380 1 43 ILE HA 1 46 HIS HB2 3.560 . 5.330 3.557 3.158 3.819 . 0 0 "[ . 1 . 2]" 1 381 1 43 ILE HA 1 46 HIS QB 3.370 . 4.950 2.779 2.421 3.023 . 0 0 "[ . 1 . 2]" 1 382 1 43 ILE HA 1 46 HIS HB3 3.560 . 5.330 2.909 2.514 3.259 . 0 0 "[ . 1 . 2]" 1 383 1 43 ILE HB 1 44 GLN H 2.930 . 4.060 2.582 2.487 2.764 . 0 0 "[ . 1 . 2]" 1 384 1 43 ILE HB 1 68 TRP HE1 4.300 . 6.810 4.581 3.896 5.920 . 0 0 "[ . 1 . 2]" 1 385 1 43 ILE MD 1 43 ILE MG 3.090 . 4.380 1.938 1.894 1.977 . 0 0 "[ . 1 . 2]" 1 386 1 43 ILE MD 1 69 VAL HA 3.690 . 5.580 4.304 2.827 5.438 . 0 0 "[ . 1 . 2]" 1 387 1 43 ILE QG 1 44 GLN H 4.090 . 6.390 4.048 3.965 4.139 . 0 0 "[ . 1 . 2]" 1 388 1 43 ILE QG 1 68 TRP HE1 4.220 . 6.640 2.375 1.740 3.629 0.060 14 0 "[ . 1 . 2]" 1 389 1 43 ILE QG 1 68 TRP HZ2 4.040 . 6.280 3.574 2.463 5.125 . 0 0 "[ . 1 . 2]" 1 390 1 43 ILE MG 1 44 GLN H 3.460 . 5.130 3.317 3.092 3.530 . 0 0 "[ . 1 . 2]" 1 391 1 43 ILE MG 1 44 GLN HA 3.880 . 5.960 3.323 3.133 3.491 . 0 0 "[ . 1 . 2]" 1 392 1 43 ILE MG 1 68 TRP HD1 3.160 . 4.520 2.727 2.013 3.953 . 0 0 "[ . 1 . 2]" 1 393 1 43 ILE MG 1 68 TRP HE1 4.700 . 7.600 2.818 1.947 4.651 . 0 0 "[ . 1 . 2]" 1 394 1 43 ILE MG 1 69 VAL MG1 4.810 . 7.830 5.133 3.506 6.719 . 0 0 "[ . 1 . 2]" 1 395 1 43 ILE MG 1 69 VAL MG2 3.690 . 5.580 3.496 1.955 4.808 . 0 0 "[ . 1 . 2]" 1 396 1 43 ILE MG 1 101 ILE MD 3.560 . 5.320 5.013 4.359 5.355 0.035 18 0 "[ . 1 . 2]" 1 397 1 44 GLN H 1 44 GLN QB 2.520 . 3.240 2.339 2.159 2.511 . 0 0 "[ . 1 . 2]" 1 398 1 44 GLN H 1 44 GLN QG 2.790 . 3.790 2.970 2.136 4.003 0.213 15 0 "[ . 1 . 2]" 1 399 1 44 GLN H 1 45 LYS H 2.660 . 3.530 2.645 2.550 2.726 . 0 0 "[ . 1 . 2]" 1 400 1 44 GLN QB 1 45 LYS H 2.620 . 3.450 2.578 2.408 2.819 . 0 0 "[ . 1 . 2]" 1 401 1 44 GLN QG 1 45 LYS H 3.540 . 5.290 3.934 3.323 4.624 . 0 0 "[ . 1 . 2]" 1 402 1 45 LYS H 1 45 LYS QB 2.520 . 3.240 2.328 2.141 2.531 . 0 0 "[ . 1 . 2]" 1 403 1 45 LYS H 1 45 LYS HG2 3.520 . 5.250 3.958 3.118 4.516 . 0 0 "[ . 1 . 2]" 1 404 1 45 LYS H 1 45 LYS QG 3.200 . 4.600 3.111 2.167 3.988 . 0 0 "[ . 1 . 2]" 1 405 1 45 LYS H 1 45 LYS HG3 3.520 . 5.250 3.376 2.196 4.522 . 0 0 "[ . 1 . 2]" 1 406 1 45 LYS H 1 46 HIS H 2.820 . 3.850 2.672 2.591 2.742 . 0 0 "[ . 1 . 2]" 1 407 1 45 LYS QB 1 46 HIS H 3.010 . 4.230 2.495 2.358 2.665 . 0 0 "[ . 1 . 2]" 1 408 1 46 HIS H 1 46 HIS HB2 2.870 . 3.940 2.477 2.393 2.534 . 0 0 "[ . 1 . 2]" 1 409 1 46 HIS H 1 46 HIS HB3 2.870 . 3.940 2.591 2.530 2.653 . 0 0 "[ . 1 . 2]" 1 410 1 46 HIS H 1 47 ARG H 2.820 . 3.850 2.663 2.547 2.781 . 0 0 "[ . 1 . 2]" 1 411 1 46 HIS HA 1 49 LEU MD1 3.100 . 4.400 2.765 2.244 3.174 . 0 0 "[ . 1 . 2]" 1 412 1 46 HIS HE1 1 101 ILE MG 3.340 . 4.880 2.631 1.812 4.139 . 0 0 "[ . 1 . 2]" 1 413 1 46 HIS HE1 1 105 ALA MB 3.050 . 4.310 3.825 2.474 4.375 0.065 20 0 "[ . 1 . 2]" 1 414 1 47 ARG H 1 47 ARG QB 2.650 . 3.510 2.327 2.202 2.650 . 0 0 "[ . 1 . 2]" 1 415 1 47 ARG H 1 47 ARG QG 2.900 . 4.000 3.229 2.001 4.033 0.033 8 0 "[ . 1 . 2]" 1 416 1 47 ARG H 1 48 GLN H 3.180 . 4.560 2.656 2.576 2.745 . 0 0 "[ . 1 . 2]" 1 417 1 48 GLN H 1 48 GLN QB 2.730 . 3.660 2.266 2.062 2.467 . 0 0 "[ . 1 . 2]" 1 418 1 48 GLN H 1 48 GLN HG2 3.120 . 4.450 4.134 2.231 4.573 0.123 2 0 "[ . 1 . 2]" 1 419 1 48 GLN H 1 48 GLN QG 3.010 . 4.220 3.559 2.214 4.022 . 0 0 "[ . 1 . 2]" 1 420 1 48 GLN H 1 48 GLN HG3 3.120 . 4.450 4.054 2.254 4.480 0.030 14 0 "[ . 1 . 2]" 1 421 1 48 GLN H 1 49 LEU H 2.950 . 4.110 2.652 2.580 2.739 . 0 0 "[ . 1 . 2]" 1 422 1 48 GLN QB 1 49 LEU H 2.870 . 3.940 2.543 2.397 2.795 . 0 0 "[ . 1 . 2]" 1 423 1 49 LEU H 1 49 LEU HB2 2.970 . 4.150 2.456 2.298 2.513 . 0 0 "[ . 1 . 2]" 1 424 1 49 LEU H 1 49 LEU QB 2.790 . 3.780 2.416 2.272 2.469 . 0 0 "[ . 1 . 2]" 1 425 1 49 LEU H 1 49 LEU HB3 2.970 . 4.150 3.590 3.555 3.610 . 0 0 "[ . 1 . 2]" 1 426 1 49 LEU H 1 49 LEU MD1 3.280 . 4.770 3.566 2.133 3.689 . 0 0 "[ . 1 . 2]" 1 427 1 49 LEU H 1 49 LEU MD2 3.390 . 4.990 3.386 3.167 4.090 . 0 0 "[ . 1 . 2]" 1 428 1 49 LEU H 1 49 LEU HG 2.680 . 3.570 2.405 2.273 3.624 0.054 10 0 "[ . 1 . 2]" 1 429 1 49 LEU H 1 50 PHE H 2.890 . 3.980 2.643 2.519 2.746 . 0 0 "[ . 1 . 2]" 1 430 1 49 LEU HA 1 49 LEU MD2 2.590 . 3.390 2.110 2.001 3.587 0.197 10 0 "[ . 1 . 2]" 1 431 1 50 PHE H 1 51 ASP H 3.040 . 4.290 2.590 2.444 2.728 . 0 0 "[ . 1 . 2]" 1 432 1 67 GLN HA 1 70 GLN H 3.490 . 5.190 3.535 3.227 3.888 . 0 0 "[ . 1 . 2]" 1 433 1 68 TRP H 1 68 TRP HD1 3.200 . 4.610 4.739 3.651 4.910 0.300 12 0 "[ . 1 . 2]" 1 434 1 68 TRP HA 1 68 TRP HE3 2.970 . 4.150 2.580 2.088 3.009 . 0 0 "[ . 1 . 2]" 1 435 1 68 TRP HA 1 71 LEU H 3.370 . 4.950 3.496 3.242 3.777 . 0 0 "[ . 1 . 2]" 1 436 1 68 TRP HA 1 71 LEU HB2 3.240 . 4.690 3.260 2.642 3.897 . 0 0 "[ . 1 . 2]" 1 437 1 68 TRP HA 1 71 LEU QB 3.090 . 4.380 2.801 2.390 3.058 . 0 0 "[ . 1 . 2]" 1 438 1 68 TRP HA 1 71 LEU HB3 3.240 . 4.690 3.496 2.447 4.734 0.044 16 0 "[ . 1 . 2]" 1 439 1 68 TRP HD1 1 69 VAL MG2 3.420 . 5.050 3.267 2.619 5.239 0.189 16 0 "[ . 1 . 2]" 1 440 1 68 TRP HE1 1 101 ILE MD 4.110 . 6.430 4.577 3.103 5.496 . 0 0 "[ . 1 . 2]" 1 441 1 68 TRP HE3 1 101 ILE MD 3.400 . 5.000 3.328 2.506 4.756 . 0 0 "[ . 1 . 2]" 1 442 1 68 TRP HH2 1 97 ALA MB 3.090 . 4.390 3.598 2.615 4.293 . 0 0 "[ . 1 . 2]" 1 443 1 68 TRP HH2 1 98 LEU MD2 2.900 . 4.000 2.201 1.861 2.970 . 0 0 "[ . 1 . 2]" 1 444 1 68 TRP HH2 1 101 ILE MD 3.510 . 5.220 3.438 2.668 4.417 . 0 0 "[ . 1 . 2]" 1 445 1 68 TRP HZ2 1 98 LEU MD2 3.420 . 5.050 3.235 2.195 4.201 . 0 0 "[ . 1 . 2]" 1 446 1 68 TRP HZ2 1 101 ILE MD 2.940 . 4.090 3.896 3.261 4.164 0.074 12 0 "[ . 1 . 2]" 1 447 1 68 TRP HZ3 1 94 LEU MD1 3.210 . 4.630 2.966 1.888 3.940 . 0 0 "[ . 1 . 2]" 1 448 1 68 TRP HZ3 1 98 LEU MD1 3.690 . 5.590 4.970 3.632 5.649 0.059 9 0 "[ . 1 . 2]" 1 449 1 69 VAL H 1 69 VAL HB 2.630 . 3.470 2.526 2.485 2.574 . 0 0 "[ . 1 . 2]" 1 450 1 69 VAL H 1 69 VAL MG1 3.060 . 4.320 3.778 3.767 3.787 . 0 0 "[ . 1 . 2]" 1 451 1 69 VAL H 1 69 VAL MG2 2.610 . 3.430 2.143 2.040 2.241 . 0 0 "[ . 1 . 2]" 1 452 1 69 VAL HA 1 69 VAL MG2 2.670 . 3.540 2.358 2.333 2.395 . 0 0 "[ . 1 . 2]" 1 453 1 69 VAL HA 1 72 PHE H 3.290 . 4.780 3.392 3.167 3.588 . 0 0 "[ . 1 . 2]" 1 454 1 69 VAL HA 1 72 PHE QB 4.070 . 6.350 2.740 2.379 3.426 . 0 0 "[ . 1 . 2]" 1 455 1 69 VAL HA 1 72 PHE QD 3.230 . 4.660 3.783 1.954 4.675 0.015 7 0 "[ . 1 . 2]" 1 456 1 69 VAL HB 1 70 GLN H 2.640 . 3.480 2.706 2.603 2.786 . 0 0 "[ . 1 . 2]" 1 457 1 69 VAL MG1 1 70 GLN H 3.280 . 4.760 3.453 3.311 3.534 . 0 0 "[ . 1 . 2]" 1 458 1 69 VAL MG1 1 70 GLN HA 3.330 . 4.870 3.424 3.251 3.552 . 0 0 "[ . 1 . 2]" 1 459 1 69 VAL MG1 1 70 GLN QG 3.990 . 6.180 4.784 3.672 5.577 . 0 0 "[ . 1 . 2]" 1 460 1 69 VAL MG1 1 73 GLN HG2 4.020 . 6.250 4.166 2.159 5.978 . 0 0 "[ . 1 . 2]" 1 461 1 69 VAL MG1 1 73 GLN QG 3.840 . 5.890 3.491 2.077 4.976 . 0 0 "[ . 1 . 2]" 1 462 1 69 VAL MG1 1 73 GLN HG3 4.020 . 6.250 3.910 2.418 5.908 . 0 0 "[ . 1 . 2]" 1 463 1 69 VAL MG2 1 70 GLN H 3.370 . 4.950 3.897 3.795 3.972 . 0 0 "[ . 1 . 2]" 1 464 1 70 GLN H 1 70 GLN QB 2.690 . 3.590 2.305 2.187 2.560 . 0 0 "[ . 1 . 2]" 1 465 1 70 GLN H 1 70 GLN HG2 3.120 . 4.440 3.964 2.259 4.563 0.123 4 0 "[ . 1 . 2]" 1 466 1 70 GLN H 1 70 GLN QG 2.990 . 4.190 3.381 2.186 4.017 . 0 0 "[ . 1 . 2]" 1 467 1 70 GLN H 1 70 GLN HG3 3.120 . 4.440 3.886 2.211 4.479 0.039 15 0 "[ . 1 . 2]" 1 468 1 71 LEU H 1 71 LEU HB2 2.830 . 3.870 2.423 2.135 2.637 . 0 0 "[ . 1 . 2]" 1 469 1 71 LEU H 1 71 LEU QB 2.680 . 3.560 2.202 2.078 2.420 . 0 0 "[ . 1 . 2]" 1 470 1 71 LEU H 1 71 LEU HB3 2.830 . 3.870 2.811 2.278 3.600 . 0 0 "[ . 1 . 2]" 1 471 1 71 LEU H 1 71 LEU MD1 3.830 . 5.860 4.002 3.629 4.220 . 0 0 "[ . 1 . 2]" 1 472 1 71 LEU H 1 71 LEU HG 2.890 . 3.990 3.737 2.397 4.375 0.385 17 0 "[ . 1 . 2]" 1 473 1 71 LEU H 1 72 PHE H 2.790 . 3.790 2.649 2.538 2.730 . 0 0 "[ . 1 . 2]" 1 474 1 71 LEU H 1 73 GLN H 3.350 . 4.900 4.058 3.778 4.279 . 0 0 "[ . 1 . 2]" 1 475 1 71 LEU HB2 1 72 PHE H 3.000 . 4.200 3.417 2.562 3.965 . 0 0 "[ . 1 . 2]" 1 476 1 71 LEU HB3 1 72 PHE H 3.000 . 4.200 2.816 2.424 3.570 . 0 0 "[ . 1 . 2]" 1 477 1 71 LEU MD1 1 93 GLU QB 2.820 . 3.840 3.357 2.000 3.937 0.097 13 0 "[ . 1 . 2]" 1 478 1 71 LEU MD2 1 93 GLU QB 3.130 . 4.470 3.331 2.440 4.358 . 0 0 "[ . 1 . 2]" 1 479 1 71 LEU MD2 1 94 LEU HA 2.970 . 4.150 3.464 2.061 4.266 0.116 14 0 "[ . 1 . 2]" 1 480 1 72 PHE H 1 72 PHE HB2 2.940 . 4.080 2.465 2.241 2.656 . 0 0 "[ . 1 . 2]" 1 481 1 72 PHE H 1 72 PHE QB 2.810 . 3.820 2.274 2.217 2.436 . 0 0 "[ . 1 . 2]" 1 482 1 72 PHE H 1 72 PHE HB3 2.940 . 4.080 2.861 2.418 3.610 . 0 0 "[ . 1 . 2]" 1 483 1 72 PHE H 1 72 PHE QD 3.150 . 4.510 3.652 2.266 4.199 . 0 0 "[ . 1 . 2]" 1 484 1 72 PHE H 1 73 GLN H 2.850 . 3.900 2.631 2.503 2.750 . 0 0 "[ . 1 . 2]" 1 485 1 72 PHE HA 1 75 PHE H 3.440 . 5.090 3.368 3.153 3.792 . 0 0 "[ . 1 . 2]" 1 486 1 72 PHE HB2 1 73 GLN H 3.430 . 5.070 3.546 2.668 3.977 . 0 0 "[ . 1 . 2]" 1 487 1 72 PHE HB3 1 73 GLN H 3.430 . 5.070 2.897 2.514 3.760 . 0 0 "[ . 1 . 2]" 1 488 1 73 GLN H 1 73 GLN HB2 2.700 . 3.600 2.481 2.221 2.588 . 0 0 "[ . 1 . 2]" 1 489 1 73 GLN H 1 73 GLN HB3 2.700 . 3.600 3.030 2.473 3.614 0.014 16 0 "[ . 1 . 2]" 1 490 1 73 GLN H 1 73 GLN HG2 3.190 . 4.590 3.716 2.196 4.587 . 0 0 "[ . 1 . 2]" 1 491 1 73 GLN H 1 73 GLN QG 3.070 . 4.350 3.206 2.114 4.031 . 0 0 "[ . 1 . 2]" 1 492 1 73 GLN H 1 73 GLN HG3 3.190 . 4.590 3.860 2.137 4.606 0.016 6 0 "[ . 1 . 2]" 1 493 1 73 GLN H 1 74 ARG H 2.630 . 3.460 2.684 2.613 2.732 . 0 0 "[ . 1 . 2]" 1 494 1 73 GLN HA 1 76 ARG H 3.050 . 4.310 3.455 3.179 4.027 . 0 0 "[ . 1 . 2]" 1 495 1 73 GLN QB 1 74 ARG H 3.020 . 4.250 2.516 2.430 2.704 . 0 0 "[ . 1 . 2]" 1 496 1 73 GLN HB2 1 74 ARG H 3.210 . 4.620 3.266 2.478 3.884 . 0 0 "[ . 1 . 2]" 1 497 1 73 GLN HB3 1 74 ARG H 3.210 . 4.620 3.010 2.460 3.754 . 0 0 "[ . 1 . 2]" 1 498 1 74 ARG H 1 74 ARG QB 2.800 . 3.800 2.337 2.172 2.586 . 0 0 "[ . 1 . 2]" 1 499 1 74 ARG H 1 75 PHE H 2.700 . 3.600 2.645 2.557 2.732 . 0 0 "[ . 1 . 2]" 1 500 1 74 ARG QB 1 90 LEU MD1 3.860 . 5.930 3.095 1.870 4.314 . 0 0 "[ . 1 . 2]" 1 501 1 74 ARG QB 1 90 LEU MD2 3.560 . 5.320 3.117 2.235 3.703 . 0 0 "[ . 1 . 2]" 1 502 1 74 ARG HB2 1 75 PHE H 3.480 . 5.170 3.277 2.411 3.992 . 0 0 "[ . 1 . 2]" 1 503 1 74 ARG HB3 1 75 PHE H 3.480 . 5.170 3.137 2.547 3.822 . 0 0 "[ . 1 . 2]" 1 504 1 75 PHE H 1 75 PHE HB2 2.820 . 3.850 2.494 2.432 2.623 . 0 0 "[ . 1 . 2]" 1 505 1 75 PHE H 1 75 PHE QB 2.700 . 3.610 2.241 2.217 2.266 . 0 0 "[ . 1 . 2]" 1 506 1 75 PHE H 1 75 PHE HB3 2.820 . 3.850 2.541 2.475 2.594 . 0 0 "[ . 1 . 2]" 1 507 1 75 PHE H 1 75 PHE QD 3.080 . 4.370 4.178 4.158 4.199 . 0 0 "[ . 1 . 2]" 1 508 1 75 PHE H 1 76 ARG H 2.870 . 3.940 2.688 2.626 2.787 . 0 0 "[ . 1 . 2]" 1 509 1 75 PHE H 1 90 LEU MD1 4.180 . 6.560 3.259 2.589 4.069 . 0 0 "[ . 1 . 2]" 1 510 1 75 PHE H 1 90 LEU MD2 3.900 . 6.000 4.269 3.307 4.840 . 0 0 "[ . 1 . 2]" 1 511 1 75 PHE HA 1 78 ALA H 2.930 . 4.060 3.562 3.347 3.731 . 0 0 "[ . 1 . 2]" 1 512 1 75 PHE HA 1 78 ALA MB 3.040 . 4.290 2.820 2.602 3.182 . 0 0 "[ . 1 . 2]" 1 513 1 75 PHE HA 1 90 LEU MD1 2.830 . 3.870 1.980 1.763 2.784 0.027 5 0 "[ . 1 . 2]" 1 514 1 75 PHE HA 1 90 LEU MD2 3.210 . 4.630 3.943 2.948 4.395 . 0 0 "[ . 1 . 2]" 1 515 1 75 PHE HB2 1 76 ARG H 3.160 . 4.530 3.807 3.761 3.858 . 0 0 "[ . 1 . 2]" 1 516 1 75 PHE HB3 1 76 ARG H 3.160 . 4.530 2.502 2.449 2.571 . 0 0 "[ . 1 . 2]" 1 517 1 75 PHE QD 1 79 ILE MD 3.430 . 5.070 3.103 2.714 3.990 . 0 0 "[ . 1 . 2]" 1 518 1 75 PHE QD 1 87 LEU MD2 3.050 . 4.310 3.026 2.696 3.706 . 0 0 "[ . 1 . 2]" 1 519 1 75 PHE QD 1 90 LEU MD1 3.950 . 6.110 2.353 1.941 3.114 . 0 0 "[ . 1 . 2]" 1 520 1 75 PHE QD 1 90 LEU MD2 3.080 . 4.370 3.848 2.394 4.371 0.001 20 0 "[ . 1 . 2]" 1 521 1 75 PHE QD 1 94 LEU MD2 3.300 . 4.800 4.141 3.150 4.869 0.069 19 0 "[ . 1 . 2]" 1 522 1 75 PHE QE 1 94 LEU MD2 3.490 . 5.180 4.117 2.780 4.897 . 0 0 "[ . 1 . 2]" 1 523 1 76 ARG H 1 76 ARG HB2 3.000 . 4.200 2.559 2.051 3.668 . 0 0 "[ . 1 . 2]" 1 524 1 76 ARG H 1 76 ARG QB 2.830 . 3.870 2.297 2.024 2.656 . 0 0 "[ . 1 . 2]" 1 525 1 76 ARG H 1 76 ARG HB3 3.000 . 4.200 2.901 2.368 3.605 . 0 0 "[ . 1 . 2]" 1 526 1 76 ARG H 1 76 ARG QG 3.310 . 4.820 3.345 2.118 4.054 . 0 0 "[ . 1 . 2]" 1 527 1 76 ARG HA 1 79 ILE HB 3.380 . 4.970 2.831 2.304 3.095 . 0 0 "[ . 1 . 2]" 1 528 1 76 ARG HA 1 79 ILE MD 3.060 . 4.330 2.683 2.104 4.417 0.087 20 0 "[ . 1 . 2]" 1 529 1 76 ARG HA 1 79 ILE MG 3.470 . 5.150 4.123 3.672 4.350 . 0 0 "[ . 1 . 2]" 1 530 1 76 ARG QB 1 77 GLU H 3.120 . 4.440 2.669 2.452 3.586 . 0 0 "[ . 1 . 2]" 1 531 1 76 ARG HB2 1 77 GLU H 3.280 . 4.770 3.468 2.554 4.003 . 0 0 "[ . 1 . 2]" 1 532 1 76 ARG HB3 1 77 GLU H 3.280 . 4.770 3.018 2.488 4.150 . 0 0 "[ . 1 . 2]" 1 533 1 77 GLU H 1 77 GLU HB2 2.800 . 3.800 2.463 2.289 2.630 . 0 0 "[ . 1 . 2]" 1 534 1 77 GLU H 1 77 GLU HB3 2.800 . 3.800 3.064 2.415 3.601 . 0 0 "[ . 1 . 2]" 1 535 1 77 GLU H 1 77 GLU HG2 3.180 . 4.570 3.691 2.210 4.597 0.027 2 0 "[ . 1 . 2]" 1 536 1 77 GLU H 1 77 GLU QG 3.020 . 4.250 3.139 2.070 4.052 . 0 0 "[ . 1 . 2]" 1 537 1 77 GLU H 1 77 GLU HG3 3.180 . 4.570 3.727 2.092 4.524 . 0 0 "[ . 1 . 2]" 1 538 1 77 GLU H 1 78 ALA H 2.540 . 3.280 2.698 2.616 2.742 . 0 0 "[ . 1 . 2]" 1 539 1 77 GLU H 1 78 ALA MB 3.870 . 5.950 4.360 4.278 4.405 . 0 0 "[ . 1 . 2]" 1 540 1 77 GLU HA 1 80 ASP H 3.260 . 4.730 3.389 3.115 3.556 . 0 0 "[ . 1 . 2]" 1 541 1 77 GLU HA 1 80 ASP HB2 3.060 . 4.320 3.507 3.035 3.965 . 0 0 "[ . 1 . 2]" 1 542 1 77 GLU HA 1 80 ASP QB 2.960 . 4.130 2.619 2.275 2.930 . 0 0 "[ . 1 . 2]" 1 543 1 77 GLU HA 1 80 ASP HB3 3.060 . 4.320 2.713 2.330 3.125 . 0 0 "[ . 1 . 2]" 1 544 1 77 GLU HB2 1 78 ALA H 2.920 . 4.050 3.215 2.528 3.901 . 0 0 "[ . 1 . 2]" 1 545 1 77 GLU HB3 1 78 ALA H 2.920 . 4.050 3.044 2.393 3.714 . 0 0 "[ . 1 . 2]" 1 546 1 78 ALA H 1 78 ALA MB 2.660 . 3.530 2.234 2.218 2.242 . 0 0 "[ . 1 . 2]" 1 547 1 78 ALA H 1 79 ILE H 2.730 . 3.660 2.673 2.603 2.732 . 0 0 "[ . 1 . 2]" 1 548 1 78 ALA H 1 90 LEU MD1 3.740 . 5.680 4.042 3.595 5.137 . 0 0 "[ . 1 . 2]" 1 549 1 78 ALA HA 1 83 ASP H 3.200 . 4.610 3.618 3.114 3.992 . 0 0 "[ . 1 . 2]" 1 550 1 78 ALA HA 1 83 ASP HB2 3.250 . 4.710 4.017 2.635 4.748 0.038 12 0 "[ . 1 . 2]" 1 551 1 78 ALA HA 1 83 ASP QB 3.170 . 4.550 3.041 2.468 3.576 . 0 0 "[ . 1 . 2]" 1 552 1 78 ALA HA 1 83 ASP HB3 3.250 . 4.710 3.224 2.549 4.258 . 0 0 "[ . 1 . 2]" 1 553 1 78 ALA MB 1 79 ILE H 3.040 . 4.290 2.628 2.537 2.690 . 0 0 "[ . 1 . 2]" 1 554 1 78 ALA MB 1 79 ILE MD 3.550 . 5.300 4.475 3.679 4.700 . 0 0 "[ . 1 . 2]" 1 555 1 78 ALA MB 1 80 ASP H 3.790 . 5.780 4.576 4.478 4.675 . 0 0 "[ . 1 . 2]" 1 556 1 78 ALA MB 1 83 ASP H 3.170 . 4.550 3.697 3.415 3.882 . 0 0 "[ . 1 . 2]" 1 557 1 78 ALA MB 1 83 ASP HB2 3.870 . 5.940 4.147 2.289 4.754 . 0 0 "[ . 1 . 2]" 1 558 1 78 ALA MB 1 83 ASP QB 3.730 . 5.660 2.728 2.242 3.185 . 0 0 "[ . 1 . 2]" 1 559 1 78 ALA MB 1 83 ASP HB3 3.870 . 5.940 2.812 2.311 3.236 . 0 0 "[ . 1 . 2]" 1 560 1 78 ALA MB 1 86 SER QB 3.040 . 4.290 2.373 1.924 3.095 . 0 0 "[ . 1 . 2]" 1 561 1 78 ALA MB 1 87 LEU H 3.040 . 4.280 3.368 3.174 3.856 . 0 0 "[ . 1 . 2]" 1 562 1 78 ALA MB 1 87 LEU MD2 3.020 . 4.240 1.937 1.879 2.024 . 0 0 "[ . 1 . 2]" 1 563 1 78 ALA MB 1 90 LEU MD1 3.050 . 4.310 2.575 2.145 4.141 . 0 0 "[ . 1 . 2]" 1 564 1 79 ILE H 1 79 ILE HB 2.810 . 3.830 2.523 2.443 2.561 . 0 0 "[ . 1 . 2]" 1 565 1 79 ILE H 1 79 ILE MD 3.300 . 4.800 3.596 3.306 3.672 . 0 0 "[ . 1 . 2]" 1 566 1 79 ILE H 1 79 ILE HG12 3.350 . 4.910 3.255 2.178 3.518 . 0 0 "[ . 1 . 2]" 1 567 1 79 ILE H 1 79 ILE QG 3.200 . 4.610 2.177 2.086 2.281 . 0 0 "[ . 1 . 2]" 1 568 1 79 ILE H 1 79 ILE HG13 3.350 . 4.910 2.408 2.107 3.667 . 0 0 "[ . 1 . 2]" 1 569 1 79 ILE H 1 79 ILE MG 3.100 . 4.410 3.782 3.761 3.793 . 0 0 "[ . 1 . 2]" 1 570 1 79 ILE H 1 80 ASP H 2.660 . 3.520 2.616 2.523 2.687 . 0 0 "[ . 1 . 2]" 1 571 1 79 ILE HA 1 79 ILE MD 2.940 . 4.090 3.573 2.052 3.854 . 0 0 "[ . 1 . 2]" 1 572 1 79 ILE HA 1 82 GLY H 3.150 . 4.510 3.379 3.143 3.619 . 0 0 "[ . 1 . 2]" 1 573 1 79 ILE HB 1 80 ASP H 2.670 . 3.550 2.539 2.443 2.679 . 0 0 "[ . 1 . 2]" 1 574 1 79 ILE MD 1 80 ASP H 3.610 . 5.430 4.561 4.467 4.703 . 0 0 "[ . 1 . 2]" 1 575 1 79 ILE MD 1 87 LEU QB 3.630 . 5.460 4.728 3.589 5.292 . 0 0 "[ . 1 . 2]" 1 576 1 79 ILE MG 1 80 ASP H 3.050 . 4.310 3.354 3.163 3.500 . 0 0 "[ . 1 . 2]" 1 577 1 79 ILE MG 1 80 ASP HA 3.390 . 4.990 3.351 3.154 3.521 . 0 0 "[ . 1 . 2]" 1 578 1 80 ASP H 1 80 ASP HB2 2.720 . 3.640 2.563 2.376 2.640 . 0 0 "[ . 1 . 2]" 1 579 1 80 ASP H 1 80 ASP QB 2.590 . 3.390 2.246 2.209 2.274 . 0 0 "[ . 1 . 2]" 1 580 1 80 ASP H 1 80 ASP HB3 2.720 . 3.640 2.492 2.387 2.625 . 0 0 "[ . 1 . 2]" 1 581 1 80 ASP H 1 81 LYS H 2.690 . 3.580 2.633 2.539 2.689 . 0 0 "[ . 1 . 2]" 1 582 1 80 ASP H 1 82 GLY H 3.330 . 4.870 3.823 3.726 3.876 . 0 0 "[ . 1 . 2]" 1 583 1 80 ASP HB2 1 81 LYS H 3.050 . 4.310 3.973 3.816 4.048 . 0 0 "[ . 1 . 2]" 1 584 1 80 ASP HB3 1 81 LYS H 3.050 . 4.310 2.750 2.650 2.922 . 0 0 "[ . 1 . 2]" 1 585 1 81 LYS H 1 81 LYS HB2 2.840 . 3.880 2.505 2.281 2.690 . 0 0 "[ . 1 . 2]" 1 586 1 81 LYS H 1 81 LYS QB 2.700 . 3.600 2.377 2.181 2.625 . 0 0 "[ . 1 . 2]" 1 587 1 81 LYS H 1 81 LYS HB3 2.840 . 3.880 3.279 2.310 3.676 . 0 0 "[ . 1 . 2]" 1 588 1 81 LYS H 1 81 LYS QD 2.950 . 4.110 3.658 2.408 4.311 0.201 8 0 "[ . 1 . 2]" 1 589 1 81 LYS H 1 81 LYS QG 3.000 . 4.200 2.966 2.163 4.064 . 0 0 "[ . 1 . 2]" 1 590 1 81 LYS H 1 82 GLY H 2.690 . 3.580 2.408 2.203 2.471 . 0 0 "[ . 1 . 2]" 1 591 1 81 LYS H 1 83 ASP H 3.390 . 4.990 3.804 3.624 3.954 . 0 0 "[ . 1 . 2]" 1 592 1 81 LYS QB 1 83 ASP H 3.330 . 4.870 2.931 2.604 3.414 . 0 0 "[ . 1 . 2]" 1 593 1 81 LYS HB2 1 83 ASP H 3.480 . 5.160 3.500 2.686 4.705 . 0 0 "[ . 1 . 2]" 1 594 1 81 LYS HB3 1 83 ASP H 3.480 . 5.160 3.704 2.835 4.519 . 0 0 "[ . 1 . 2]" 1 595 1 82 GLY H 1 83 ASP H 2.660 . 3.520 2.529 2.439 2.595 . 0 0 "[ . 1 . 2]" 1 596 1 83 ASP H 1 83 ASP HB2 2.750 . 3.710 2.710 2.362 2.966 . 0 0 "[ . 1 . 2]" 1 597 1 83 ASP H 1 83 ASP QB 2.660 . 3.530 2.370 2.317 2.431 . 0 0 "[ . 1 . 2]" 1 598 1 83 ASP H 1 83 ASP HB3 2.750 . 3.710 2.667 2.542 3.611 . 0 0 "[ . 1 . 2]" 1 599 1 83 ASP QB 1 86 SER H 4.130 . 6.470 3.467 2.721 3.704 . 0 0 "[ . 1 . 2]" 1 600 1 84 LYS H 1 84 LYS QB 2.750 . 3.710 2.401 2.211 2.586 . 0 0 "[ . 1 . 2]" 1 601 1 84 LYS H 1 84 LYS QG 3.940 . 6.080 2.749 1.930 4.054 . 0 0 "[ . 1 . 2]" 1 602 1 84 LYS HA 1 87 LEU H 2.940 . 4.090 3.219 3.071 3.600 . 0 0 "[ . 1 . 2]" 1 603 1 84 LYS HA 1 87 LEU HB2 3.140 . 4.480 2.326 1.934 3.278 . 0 0 "[ . 1 . 2]" 1 604 1 84 LYS HA 1 87 LEU QB 2.980 . 4.170 2.305 1.925 3.209 . 0 0 "[ . 1 . 2]" 1 605 1 84 LYS HA 1 87 LEU HB3 3.140 . 4.480 3.821 3.508 4.569 0.089 20 0 "[ . 1 . 2]" 1 606 1 84 LYS HA 1 87 LEU MD2 2.920 . 4.040 4.160 4.027 4.243 0.203 12 0 "[ . 1 . 2]" 1 607 1 85 ASP H 1 85 ASP QB 2.720 . 3.640 2.343 2.206 2.654 . 0 0 "[ . 1 . 2]" 1 608 1 85 ASP H 1 86 SER H 3.060 . 4.330 2.759 2.635 2.844 . 0 0 "[ . 1 . 2]" 1 609 1 85 ASP HA 1 88 GLU H 3.340 . 4.890 3.761 3.438 4.062 . 0 0 "[ . 1 . 2]" 1 610 1 85 ASP QB 1 86 SER H 2.750 . 3.700 2.651 2.352 3.564 . 0 0 "[ . 1 . 2]" 1 611 1 86 SER H 1 86 SER QB 2.700 . 3.610 2.523 2.272 2.727 . 0 0 "[ . 1 . 2]" 1 612 1 86 SER QB 1 87 LEU H 2.900 . 4.010 2.799 2.597 3.480 . 0 0 "[ . 1 . 2]" 1 613 1 86 SER QB 1 90 LEU MD1 3.710 . 5.630 2.996 2.568 4.527 . 0 0 "[ . 1 . 2]" 1 614 1 87 LEU H 1 87 LEU HB2 2.890 . 3.980 2.479 2.347 2.558 . 0 0 "[ . 1 . 2]" 1 615 1 87 LEU H 1 87 LEU QB 2.700 . 3.600 2.437 2.316 2.506 . 0 0 "[ . 1 . 2]" 1 616 1 87 LEU H 1 87 LEU HB3 2.890 . 3.980 3.589 3.551 3.603 . 0 0 "[ . 1 . 2]" 1 617 1 87 LEU H 1 87 LEU MD2 3.450 . 5.100 3.310 3.069 3.662 . 0 0 "[ . 1 . 2]" 1 618 1 87 LEU H 1 87 LEU HG 2.730 . 3.670 2.290 2.152 2.476 . 0 0 "[ . 1 . 2]" 1 619 1 87 LEU H 1 88 GLU H 2.760 . 3.730 2.772 2.677 2.849 . 0 0 "[ . 1 . 2]" 1 620 1 87 LEU H 1 89 GLN H 4.010 . 6.230 4.214 4.073 4.422 . 0 0 "[ . 1 . 2]" 1 621 1 87 LEU HA 1 87 LEU MD2 2.950 . 4.100 2.006 1.965 2.043 . 0 0 "[ . 1 . 2]" 1 622 1 87 LEU HA 1 90 LEU H 3.140 . 4.480 3.456 3.235 3.678 . 0 0 "[ . 1 . 2]" 1 623 1 87 LEU HA 1 90 LEU MD1 3.030 . 4.270 2.583 1.973 4.580 0.310 10 0 "[ . 1 . 2]" 1 624 1 87 LEU QB 1 88 GLU H 2.970 . 4.140 2.478 2.358 2.616 . 0 0 "[ . 1 . 2]" 1 625 1 87 LEU HB2 1 88 GLU H 3.140 . 4.480 2.534 2.399 2.689 . 0 0 "[ . 1 . 2]" 1 626 1 87 LEU HB3 1 88 GLU H 3.140 . 4.480 3.518 3.404 3.672 . 0 0 "[ . 1 . 2]" 1 627 1 87 LEU MD2 1 88 GLU H 3.640 . 5.490 4.632 4.552 4.694 . 0 0 "[ . 1 . 2]" 1 628 1 87 LEU MD2 1 90 LEU MD1 3.110 . 4.430 2.572 1.976 4.463 0.033 10 0 "[ . 1 . 2]" 1 629 1 88 GLU H 1 88 GLU HB2 2.680 . 3.570 2.557 2.289 3.602 0.032 2 0 "[ . 1 . 2]" 1 630 1 88 GLU H 1 88 GLU QB 2.580 . 3.370 2.350 2.188 2.694 . 0 0 "[ . 1 . 2]" 1 631 1 88 GLU H 1 88 GLU HB3 2.680 . 3.570 3.004 2.379 3.603 0.033 7 0 "[ . 1 . 2]" 1 632 1 88 GLU H 1 88 GLU QG 3.150 . 4.500 3.128 1.836 4.055 . 0 0 "[ . 1 . 2]" 1 633 1 88 GLU H 1 89 GLN H 2.750 . 3.710 2.718 2.629 2.850 . 0 0 "[ . 1 . 2]" 1 634 1 88 GLU HA 1 91 LEU H 3.090 . 4.380 3.564 3.160 3.873 . 0 0 "[ . 1 . 2]" 1 635 1 88 GLU HA 1 91 LEU MD1 3.140 . 4.480 2.302 1.991 2.663 . 0 0 "[ . 1 . 2]" 1 636 1 89 GLN H 1 89 GLN QB 2.540 . 3.280 2.323 2.183 2.529 . 0 0 "[ . 1 . 2]" 1 637 1 89 GLN H 1 89 GLN HG2 3.090 . 4.380 3.761 2.222 4.544 0.164 5 0 "[ . 1 . 2]" 1 638 1 89 GLN H 1 89 GLN QG 2.980 . 4.160 3.176 2.001 4.000 . 0 0 "[ . 1 . 2]" 1 639 1 89 GLN H 1 89 GLN HG3 3.090 . 4.380 3.727 2.022 4.528 0.148 12 0 "[ . 1 . 2]" 1 640 1 89 GLN H 1 90 LEU H 2.740 . 3.690 2.587 2.494 2.712 . 0 0 "[ . 1 . 2]" 1 641 1 89 GLN QB 1 90 LEU H 2.920 . 4.050 2.552 2.441 2.693 . 0 0 "[ . 1 . 2]" 1 642 1 90 LEU H 1 90 LEU MD1 3.380 . 4.970 3.619 3.255 4.040 . 0 0 "[ . 1 . 2]" 1 643 1 90 LEU H 1 90 LEU MD2 3.360 . 4.920 3.437 2.435 3.901 . 0 0 "[ . 1 . 2]" 1 644 1 90 LEU H 1 90 LEU HG 2.930 . 4.070 2.504 2.225 3.911 . 0 0 "[ . 1 . 2]" 1 645 1 90 LEU H 1 91 LEU H 2.880 . 3.960 2.680 2.563 2.745 . 0 0 "[ . 1 . 2]" 1 646 1 90 LEU HA 1 90 LEU MD2 2.730 . 3.660 2.033 1.944 2.240 . 0 0 "[ . 1 . 2]" 1 647 1 90 LEU HA 1 93 GLU H 3.310 . 4.830 3.311 3.154 3.618 . 0 0 "[ . 1 . 2]" 1 648 1 90 LEU HA 1 93 GLU QB 2.800 . 3.800 2.595 2.284 2.944 . 0 0 "[ . 1 . 2]" 1 649 1 90 LEU MD2 1 93 GLU QB 2.940 . 4.080 3.305 2.832 4.027 . 0 0 "[ . 1 . 2]" 1 650 1 91 LEU H 1 91 LEU MD1 3.340 . 4.880 3.619 3.511 3.688 . 0 0 "[ . 1 . 2]" 1 651 1 91 LEU H 1 91 LEU MD2 3.330 . 4.860 3.407 3.180 3.601 . 0 0 "[ . 1 . 2]" 1 652 1 91 LEU H 1 91 LEU HG 2.730 . 3.670 2.358 2.176 2.487 . 0 0 "[ . 1 . 2]" 1 653 1 91 LEU H 1 92 GLU H 2.700 . 3.610 2.706 2.615 2.773 . 0 0 "[ . 1 . 2]" 1 654 1 91 LEU H 1 93 GLU H 3.080 . 4.370 4.215 4.054 4.361 . 0 0 "[ . 1 . 2]" 1 655 1 91 LEU HA 1 91 LEU MD1 3.600 . 5.400 3.863 3.844 3.883 . 0 0 "[ . 1 . 2]" 1 656 1 91 LEU HA 1 91 LEU MD2 2.880 . 3.960 2.045 2.008 2.094 . 0 0 "[ . 1 . 2]" 1 657 1 91 LEU HB2 1 92 GLU H 3.120 . 4.450 2.648 2.496 2.773 . 0 0 "[ . 1 . 2]" 1 658 1 91 LEU HB3 1 92 GLU H 3.120 . 4.450 3.595 3.414 3.760 . 0 0 "[ . 1 . 2]" 1 659 1 91 LEU MD2 1 95 GLU H 3.750 . 5.700 5.250 4.866 5.722 0.022 12 0 "[ . 1 . 2]" 1 660 1 92 GLU H 1 92 GLU QB 2.450 . 3.100 2.340 2.213 2.511 . 0 0 "[ . 1 . 2]" 1 661 1 92 GLU H 1 92 GLU QG 2.930 . 4.060 3.037 2.079 4.042 . 0 0 "[ . 1 . 2]" 1 662 1 92 GLU H 1 93 GLU H 2.640 . 3.480 2.625 2.529 2.727 . 0 0 "[ . 1 . 2]" 1 663 1 92 GLU HA 1 95 GLU H 3.050 . 4.300 3.564 3.255 3.872 . 0 0 "[ . 1 . 2]" 1 664 1 92 GLU QB 1 93 GLU H 2.720 . 3.640 2.483 2.411 2.608 . 0 0 "[ . 1 . 2]" 1 665 1 92 GLU QG 1 93 GLU H 3.140 . 4.490 3.825 3.436 4.224 . 0 0 "[ . 1 . 2]" 1 666 1 93 GLU H 1 93 GLU QB 2.360 . 2.930 2.347 2.196 2.500 . 0 0 "[ . 1 . 2]" 1 667 1 93 GLU H 1 93 GLU QG 2.990 . 4.190 2.906 2.067 4.041 . 0 0 "[ . 1 . 2]" 1 668 1 93 GLU H 1 94 LEU H 2.740 . 3.680 2.592 2.483 2.714 . 0 0 "[ . 1 . 2]" 1 669 1 93 GLU QB 1 94 LEU H 2.640 . 3.490 2.576 2.416 2.803 . 0 0 "[ . 1 . 2]" 1 670 1 94 LEU H 1 94 LEU HB2 2.730 . 3.670 2.413 2.219 2.514 . 0 0 "[ . 1 . 2]" 1 671 1 94 LEU H 1 94 LEU HB3 2.730 . 3.670 2.591 2.403 3.514 . 0 0 "[ . 1 . 2]" 1 672 1 94 LEU H 1 94 LEU HG 3.200 . 4.610 4.426 4.004 4.517 . 0 0 "[ . 1 . 2]" 1 673 1 94 LEU H 1 95 GLU H 2.820 . 3.850 2.712 2.591 2.794 . 0 0 "[ . 1 . 2]" 1 674 1 94 LEU HA 1 94 LEU MD1 2.830 . 3.860 2.137 2.052 2.405 . 0 0 "[ . 1 . 2]" 1 675 1 94 LEU HA 1 94 LEU MD2 3.840 . 5.880 3.880 3.808 3.926 . 0 0 "[ . 1 . 2]" 1 676 1 94 LEU MD1 1 97 ALA MB 3.240 . 4.690 3.064 2.712 4.004 . 0 0 "[ . 1 . 2]" 1 677 1 95 GLU H 1 95 GLU HG2 3.180 . 4.560 3.994 2.319 4.580 0.020 20 0 "[ . 1 . 2]" 1 678 1 95 GLU H 1 95 GLU QG 3.080 . 4.370 3.324 2.175 4.045 . 0 0 "[ . 1 . 2]" 1 679 1 95 GLU H 1 95 GLU HG3 3.180 . 4.560 3.725 2.206 4.503 . 0 0 "[ . 1 . 2]" 1 680 1 95 GLU H 1 96 GLN H 2.790 . 3.780 2.710 2.630 2.820 . 0 0 "[ . 1 . 2]" 1 681 1 95 GLU QG 1 96 GLN H 3.520 . 5.250 3.839 3.360 4.286 . 0 0 "[ . 1 . 2]" 1 682 1 96 GLN H 1 96 GLN HG2 2.950 . 4.100 3.290 2.102 4.422 0.322 16 0 "[ . 1 . 2]" 1 683 1 96 GLN H 1 96 GLN QG 2.860 . 3.930 2.554 2.057 3.892 . 0 0 "[ . 1 . 2]" 1 684 1 96 GLN H 1 96 GLN HG3 2.950 . 4.100 3.079 2.078 4.321 0.221 18 0 "[ . 1 . 2]" 1 685 1 96 GLN H 1 97 ALA H 2.650 . 3.500 2.623 2.580 2.694 . 0 0 "[ . 1 . 2]" 1 686 1 96 GLN H 1 97 ALA MB 3.890 . 5.980 4.302 4.258 4.367 . 0 0 "[ . 1 . 2]" 1 687 1 96 GLN HA 1 99 GLN H 2.770 . 3.750 3.457 3.284 3.728 . 0 0 "[ . 1 . 2]" 1 688 1 96 GLN QB 1 97 ALA H 2.570 . 3.350 2.609 2.526 2.742 . 0 0 "[ . 1 . 2]" 1 689 1 97 ALA H 1 97 ALA MB 2.570 . 3.350 2.236 2.230 2.244 . 0 0 "[ . 1 . 2]" 1 690 1 97 ALA H 1 98 LEU H 2.660 . 3.530 2.656 2.581 2.757 . 0 0 "[ . 1 . 2]" 1 691 1 97 ALA HA 1 100 LYS H 2.860 . 3.920 3.385 3.239 3.629 . 0 0 "[ . 1 . 2]" 1 692 1 98 LEU H 1 98 LEU QB 2.840 . 3.880 2.383 2.287 2.452 . 0 0 "[ . 1 . 2]" 1 693 1 98 LEU H 1 98 LEU MD1 3.440 . 5.090 3.632 3.456 3.841 . 0 0 "[ . 1 . 2]" 1 694 1 98 LEU H 1 98 LEU MD2 3.220 . 4.640 3.089 2.078 3.682 . 0 0 "[ . 1 . 2]" 1 695 1 98 LEU H 1 98 LEU HG 2.850 . 3.900 2.750 2.231 4.041 0.141 8 0 "[ . 1 . 2]" 1 696 1 98 LEU H 1 99 GLN H 2.790 . 3.790 2.652 2.592 2.695 . 0 0 "[ . 1 . 2]" 1 697 1 98 LEU HA 1 98 LEU MD1 3.190 . 4.580 3.391 1.942 3.878 . 0 0 "[ . 1 . 2]" 1 698 1 98 LEU HA 1 98 LEU MD2 2.600 . 3.400 2.177 1.987 2.900 . 0 0 "[ . 1 . 2]" 1 699 1 98 LEU HA 1 101 ILE H 3.220 . 4.640 3.354 3.035 3.705 . 0 0 "[ . 1 . 2]" 1 700 1 98 LEU HA 1 101 ILE MD 3.110 . 4.430 2.596 2.267 3.269 . 0 0 "[ . 1 . 2]" 1 701 1 98 LEU HB2 1 99 GLN H 2.980 . 4.160 2.712 2.457 2.989 . 0 0 "[ . 1 . 2]" 1 702 1 98 LEU HB3 1 99 GLN H 2.980 . 4.160 3.600 3.498 3.778 . 0 0 "[ . 1 . 2]" 1 703 1 99 GLN H 1 99 GLN QB 2.480 . 3.160 2.357 2.166 2.620 . 0 0 "[ . 1 . 2]" 1 704 1 99 GLN H 1 99 GLN QG 2.780 . 3.760 2.964 1.926 3.991 0.231 10 0 "[ . 1 . 2]" 1 705 1 99 GLN H 1 100 LYS H 2.700 . 3.610 2.594 2.464 2.657 . 0 0 "[ . 1 . 2]" 1 706 1 99 GLN H 1 100 LYS QB 3.180 . 4.570 4.399 4.138 4.647 0.077 5 0 "[ . 1 . 2]" 1 707 1 99 GLN HA 1 99 GLN QG 2.870 . 3.940 2.814 2.400 3.148 . 0 0 "[ . 1 . 2]" 1 708 1 99 GLN QB 1 100 LYS H 2.720 . 3.650 2.508 2.396 2.624 . 0 0 "[ . 1 . 2]" 1 709 1 99 GLN QG 1 100 LYS H 3.280 . 4.760 3.752 3.229 4.126 . 0 0 "[ . 1 . 2]" 1 710 1 100 LYS H 1 100 LYS QB 2.470 . 3.140 2.290 2.181 2.511 . 0 0 "[ . 1 . 2]" 1 711 1 100 LYS H 1 100 LYS QD 3.600 . 5.410 4.169 3.697 4.700 . 0 0 "[ . 1 . 2]" 1 712 1 100 LYS H 1 100 LYS QG 3.080 . 4.370 3.343 2.030 3.977 . 0 0 "[ . 1 . 2]" 1 713 1 100 LYS H 1 101 ILE QG 3.490 . 5.190 4.274 4.129 4.453 . 0 0 "[ . 1 . 2]" 1 714 1 100 LYS QB 1 104 LEU MD1 3.400 . 5.000 3.945 2.837 4.941 . 0 0 "[ . 1 . 2]" 1 715 1 101 ILE H 1 101 ILE HB 2.750 . 3.700 2.505 2.451 2.532 . 0 0 "[ . 1 . 2]" 1 716 1 101 ILE H 1 101 ILE MD 3.190 . 4.590 3.630 3.585 3.709 . 0 0 "[ . 1 . 2]" 1 717 1 101 ILE H 1 101 ILE HG12 3.010 . 4.220 3.439 3.391 3.548 . 0 0 "[ . 1 . 2]" 1 718 1 101 ILE H 1 101 ILE QG 2.860 . 3.920 2.177 2.128 2.264 . 0 0 "[ . 1 . 2]" 1 719 1 101 ILE H 1 101 ILE HG13 3.010 . 4.220 2.201 2.149 2.290 . 0 0 "[ . 1 . 2]" 1 720 1 101 ILE H 1 101 ILE MG 3.020 . 4.240 3.775 3.755 3.787 . 0 0 "[ . 1 . 2]" 1 721 1 101 ILE H 1 102 ARG H 2.740 . 3.690 2.697 2.599 2.769 . 0 0 "[ . 1 . 2]" 1 722 1 101 ILE HA 1 101 ILE MD 3.310 . 4.820 3.820 3.789 3.843 . 0 0 "[ . 1 . 2]" 1 723 1 101 ILE HA 1 104 LEU MD1 3.200 . 4.610 2.640 2.174 3.598 . 0 0 "[ . 1 . 2]" 1 724 1 101 ILE HB 1 102 ARG H 3.340 . 4.880 2.625 2.516 2.751 . 0 0 "[ . 1 . 2]" 1 725 1 101 ILE MD 1 101 ILE MG 2.910 . 4.030 1.925 1.898 1.943 . 0 0 "[ . 1 . 2]" 1 726 1 101 ILE QG 1 104 LEU MD1 3.530 . 5.260 3.492 2.682 4.527 . 0 0 "[ . 1 . 2]" 1 727 1 101 ILE MG 1 102 ARG H 3.250 . 4.700 3.351 3.196 3.481 . 0 0 "[ . 1 . 2]" 1 728 1 102 ARG H 1 102 ARG QG 3.890 . 5.980 3.159 2.179 4.063 . 0 0 "[ . 1 . 2]" 1 729 1 102 ARG H 1 103 GLU H 2.730 . 3.660 2.701 2.619 2.757 . 0 0 "[ . 1 . 2]" 1 730 1 102 ARG HB2 1 103 GLU H 2.940 . 4.090 3.246 2.504 4.061 . 0 0 "[ . 1 . 2]" 1 731 1 102 ARG HB3 1 103 GLU H 2.940 . 4.090 3.104 2.449 3.728 . 0 0 "[ . 1 . 2]" 1 732 1 103 GLU H 1 103 GLU QB 2.510 . 3.220 2.377 1.971 2.639 . 0 0 "[ . 1 . 2]" 1 733 1 103 GLU H 1 103 GLU HG2 2.890 . 3.980 2.982 2.058 4.349 0.369 7 0 "[ . 1 . 2]" 1 734 1 103 GLU H 1 103 GLU QG 2.790 . 3.790 2.493 2.028 3.836 0.046 13 0 "[ . 1 . 2]" 1 735 1 103 GLU H 1 103 GLU HG3 2.890 . 3.980 3.252 2.175 4.336 0.356 13 0 "[ . 1 . 2]" 1 736 1 103 GLU H 1 104 LEU H 2.660 . 3.530 2.637 2.529 2.746 . 0 0 "[ . 1 . 2]" 1 737 1 103 GLU QB 1 104 LEU H 2.760 . 3.730 2.627 2.451 3.566 . 0 0 "[ . 1 . 2]" 1 738 1 103 GLU QB 1 104 LEU MD2 3.650 . 5.510 3.704 3.247 4.390 . 0 0 "[ . 1 . 2]" 1 739 1 104 LEU H 1 104 LEU HB2 2.820 . 3.850 2.527 2.395 3.647 . 0 0 "[ . 1 . 2]" 1 740 1 104 LEU H 1 104 LEU QB 2.710 . 3.630 2.442 2.361 2.715 . 0 0 "[ . 1 . 2]" 1 741 1 104 LEU H 1 104 LEU HB3 2.820 . 3.850 3.557 2.800 3.607 . 0 0 "[ . 1 . 2]" 1 742 1 104 LEU H 1 104 LEU MD1 3.450 . 5.100 3.650 3.467 3.737 . 0 0 "[ . 1 . 2]" 1 743 1 104 LEU H 1 104 LEU MD2 3.380 . 4.960 3.350 3.175 3.617 . 0 0 "[ . 1 . 2]" 1 744 1 104 LEU H 1 104 LEU HG 2.600 . 3.400 2.347 2.023 2.511 . 0 0 "[ . 1 . 2]" 1 745 1 104 LEU HA 1 104 LEU MD1 3.110 . 4.420 3.852 3.707 3.878 . 0 0 "[ . 1 . 2]" 1 746 1 104 LEU HA 1 104 LEU MD2 2.620 . 3.450 2.136 1.997 3.938 0.488 19 0 "[ . 1 . 2]" 1 747 1 104 LEU HB2 1 105 ALA H 3.330 . 4.870 2.791 2.596 3.852 . 0 0 "[ . 1 . 2]" 1 748 1 104 LEU HB3 1 105 ALA H 3.330 . 4.870 3.741 3.556 4.183 . 0 0 "[ . 1 . 2]" 1 749 1 105 ALA H 1 105 ALA MB 2.710 . 3.620 2.246 2.227 2.266 . 0 0 "[ . 1 . 2]" 1 750 1 106 GLU H 1 106 GLU HG2 3.220 . 4.640 3.555 2.231 4.623 . 0 0 "[ . 1 . 2]" 1 751 1 106 GLU H 1 106 GLU HG3 3.220 . 4.640 3.514 2.387 4.635 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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