NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
573051 | 2map | 19367 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2map 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 1666 _Distance_constraint_stats_list.Viol_count 9 _Distance_constraint_stats_list.Viol_total 14.600 _Distance_constraint_stats_list.Viol_max 0.465 _Distance_constraint_stats_list.Viol_rms 0.0029 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0901 _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 4 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 5 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 6 THR 0.000 0.000 . 0 "[ . 1 . ]" 1 7 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 8 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 9 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 10 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 11 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 12 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 13 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 14 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 15 GLN 0.001 0.001 10 0 "[ . 1 . ]" 1 16 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 17 GLY 0.000 0.000 . 0 "[ . 1 . ]" 1 18 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 19 GLN 0.465 0.465 2 0 "[ . 1 . ]" 1 20 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 21 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 22 PHE 0.000 0.000 . 0 "[ . 1 . ]" 1 23 ASN 0.465 0.465 2 0 "[ . 1 . ]" 1 24 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 25 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 26 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 27 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 28 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 29 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 30 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 31 HIS 0.000 0.000 . 0 "[ . 1 . ]" 1 32 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 33 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 34 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 35 SER 0.000 0.000 . 0 "[ . 1 . ]" 1 36 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 37 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 38 SER 0.000 0.000 . 0 "[ . 1 . ]" 1 39 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 40 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 41 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 42 PRO 0.000 0.000 . 0 "[ . 1 . ]" 1 43 SER 0.000 0.000 . 0 "[ . 1 . ]" 1 44 GLY 0.000 0.000 . 0 "[ . 1 . ]" 1 45 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 46 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 47 PRO 0.000 0.000 . 0 "[ . 1 . ]" 1 48 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 49 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 50 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 51 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 52 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 53 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 54 PHE 0.000 0.000 . 0 "[ . 1 . ]" 1 55 ILE 0.000 0.000 . 0 "[ . 1 . ]" 1 56 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 57 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 58 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 59 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 60 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 61 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 62 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 63 SER 0.000 0.000 . 0 "[ . 1 . ]" 1 64 PHE 0.000 0.000 . 0 "[ . 1 . ]" 1 65 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 66 GLY 0.000 0.000 . 0 "[ . 1 . ]" 1 67 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 68 SER 0.000 0.000 . 0 "[ . 1 . ]" 1 69 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 70 PHE 0.000 0.000 . 0 "[ . 1 . ]" 1 71 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 72 THR 0.000 0.000 . 0 "[ . 1 . ]" 1 73 TRP 0.000 0.000 . 0 "[ . 1 . ]" 1 74 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 75 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 76 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 77 ILE 0.000 0.000 . 0 "[ . 1 . ]" 1 78 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 79 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 80 ASN 0.000 0.000 . 0 "[ . 1 . ]" 1 81 THR 0.000 0.000 . 0 "[ . 1 . ]" 1 82 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 83 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 84 ASN 0.000 0.000 . 0 "[ . 1 . ]" 1 85 TYR 0.018 0.018 6 0 "[ . 1 . ]" 1 86 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 87 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 88 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 89 GLN 0.028 0.018 6 0 "[ . 1 . ]" 1 90 GLY 0.000 0.000 . 0 "[ . 1 . ]" 1 91 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 92 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 93 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 94 GLU 0.010 0.010 2 0 "[ . 1 . ]" 1 95 LEU 0.316 0.133 4 0 "[ . 1 . ]" 1 96 VAL 0.306 0.133 4 0 "[ . 1 . ]" 2 1 DT 0.000 0.000 . 0 "[ . 1 . ]" 2 2 DG 0.000 0.000 . 0 "[ . 1 . ]" 2 3 DT 0.000 0.000 . 0 "[ . 1 . ]" 2 4 DC 0.000 0.000 . 0 "[ . 1 . ]" 2 5 DA 0.000 0.000 . 0 "[ . 1 . ]" 2 6 DA 0.000 0.000 . 0 "[ . 1 . ]" 2 7 DA 0.000 0.000 . 0 "[ . 1 . ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 4 GLN H 1 4 GLN HB3 3.790 . 4.290 3.618 2.538 4.003 . 0 0 "[ . 1 . ]" 1 2 1 4 GLN HA 1 5 LEU H 3.150 . 3.650 2.519 2.249 3.237 . 0 0 "[ . 1 . ]" 1 3 1 4 GLN HA 1 5 LEU MD1 4.500 . 5.000 3.150 2.479 3.940 . 0 0 "[ . 1 . ]" 1 4 1 4 GLN HA 1 6 THR H 5.000 . 5.500 4.446 3.413 5.051 . 0 0 "[ . 1 . ]" 1 5 1 4 GLN HB2 1 5 LEU H 4.450 . 4.950 3.768 2.646 4.620 . 0 0 "[ . 1 . ]" 1 6 1 5 LEU H 1 5 LEU HB2 4.130 . 4.630 2.504 2.283 3.855 . 0 0 "[ . 1 . ]" 1 7 1 5 LEU H 1 5 LEU HB3 3.900 . 4.400 3.630 3.491 3.851 . 0 0 "[ . 1 . ]" 1 8 1 5 LEU H 1 5 LEU HG 4.100 . 4.600 3.894 2.572 4.179 . 0 0 "[ . 1 . ]" 1 9 1 5 LEU H 1 5 LEU MD1 5.070 . 5.570 2.418 2.115 3.426 . 0 0 "[ . 1 . ]" 1 10 1 5 LEU H 1 6 THR H 4.800 . 5.300 3.299 2.064 3.974 . 0 0 "[ . 1 . ]" 1 11 1 5 LEU H 1 6 THR MG 5.420 . 5.920 3.856 2.733 4.532 . 0 0 "[ . 1 . ]" 1 12 1 5 LEU HA 1 10 LEU H 5.150 . 5.650 4.924 4.356 5.175 . 0 0 "[ . 1 . ]" 1 13 1 5 LEU HA 1 5 LEU HG 3.960 . 4.460 2.589 2.388 3.719 . 0 0 "[ . 1 . ]" 1 14 1 5 LEU HA 1 5 LEU MD1 4.060 . 4.560 2.829 2.090 3.486 . 0 0 "[ . 1 . ]" 1 15 1 5 LEU HA 1 9 VAL HB 4.630 . 5.130 4.671 4.461 4.909 . 0 0 "[ . 1 . ]" 1 16 1 5 LEU HA 1 9 VAL MG1 5.690 . 6.190 2.538 2.060 3.483 . 0 0 "[ . 1 . ]" 1 17 1 5 LEU HA 1 9 VAL MG2 5.400 . 5.900 3.326 1.991 4.142 . 0 0 "[ . 1 . ]" 1 18 1 5 LEU HB2 1 6 THR H 4.550 . 5.050 4.423 4.012 4.594 . 0 0 "[ . 1 . ]" 1 19 1 5 LEU HB3 1 6 THR H 4.480 . 4.980 4.345 4.129 4.639 . 0 0 "[ . 1 . ]" 1 20 1 5 LEU HB3 1 9 VAL MG1 5.820 . 6.320 4.134 3.223 5.015 . 0 0 "[ . 1 . ]" 1 21 1 5 LEU MD1 1 6 THR H 5.340 . 5.840 4.335 3.045 4.485 . 0 0 "[ . 1 . ]" 1 22 1 5 LEU MD1 1 9 VAL MG1 6.530 . 7.030 4.040 3.436 4.560 . 0 0 "[ . 1 . ]" 1 23 1 6 THR H 1 6 THR MG 3.730 . 4.230 2.127 2.041 2.242 . 0 0 "[ . 1 . ]" 1 24 1 6 THR H 1 7 ASP H 4.710 . 5.210 4.635 4.576 4.693 . 0 0 "[ . 1 . ]" 1 25 1 6 THR HA 1 8 GLN H 4.310 . 4.810 4.111 4.044 4.191 . 0 0 "[ . 1 . ]" 1 26 1 6 THR HB 1 7 ASP H 3.220 . 3.720 2.265 2.120 2.428 . 0 0 "[ . 1 . ]" 1 27 1 6 THR MG 1 7 ASP H 4.800 . 5.300 3.693 3.528 3.803 . 0 0 "[ . 1 . ]" 1 28 1 6 THR MG 1 8 GLN H 5.760 . 6.260 4.160 4.064 4.234 . 0 0 "[ . 1 . ]" 1 29 1 6 THR MG 1 8 GLN HB2 6.080 . 6.580 4.739 4.353 5.049 . 0 0 "[ . 1 . ]" 1 30 1 7 ASP H 1 10 LEU QB 5.220 . 5.720 4.537 4.419 4.654 . 0 0 "[ . 1 . ]" 1 31 1 7 ASP H 1 7 ASP HB2 3.480 . 3.980 3.386 2.530 3.566 . 0 0 "[ . 1 . ]" 1 32 1 7 ASP H 1 7 ASP HB3 3.810 . 4.310 2.719 2.519 3.588 . 0 0 "[ . 1 . ]" 1 33 1 7 ASP H 1 8 GLN H 3.570 . 4.070 2.726 2.680 2.783 . 0 0 "[ . 1 . ]" 1 34 1 7 ASP HA 1 10 LEU H 4.090 . 4.590 3.309 3.080 3.502 . 0 0 "[ . 1 . ]" 1 35 1 7 ASP HA 1 10 LEU HG 4.540 . 5.040 4.584 4.532 4.649 . 0 0 "[ . 1 . ]" 1 36 1 7 ASP HA 1 10 LEU QB 4.040 . 4.540 2.291 2.149 2.414 . 0 0 "[ . 1 . ]" 1 37 1 7 ASP HA 1 10 LEU MD2 5.480 . 5.980 3.229 3.079 3.325 . 0 0 "[ . 1 . ]" 1 38 1 7 ASP HA 1 11 VAL MG2 5.520 . 6.020 3.488 3.287 3.870 . 0 0 "[ . 1 . ]" 1 39 1 7 ASP HA 1 25 LEU MD1 4.130 . 4.630 3.135 2.996 3.309 . 0 0 "[ . 1 . ]" 1 40 1 7 ASP HA 1 25 LEU MD2 5.660 . 6.160 4.671 4.511 4.742 . 0 0 "[ . 1 . ]" 1 41 1 7 ASP HB2 1 11 VAL MG2 5.940 . 6.440 3.259 2.660 4.357 . 0 0 "[ . 1 . ]" 1 42 1 7 ASP HB2 1 25 LEU MD1 5.570 . 6.070 3.406 2.930 4.522 . 0 0 "[ . 1 . ]" 1 43 1 7 ASP HB2 1 70 PHE HB3 4.110 . 4.610 2.733 2.172 3.622 . 0 0 "[ . 1 . ]" 1 44 1 7 ASP HB2 1 70 PHE QD 4.220 . 4.720 3.303 2.781 3.853 . 0 0 "[ . 1 . ]" 1 45 1 7 ASP HB2 1 8 GLN H 4.100 . 4.600 4.010 3.293 4.180 . 0 0 "[ . 1 . ]" 1 46 1 7 ASP HB2 1 8 GLN HA 5.500 . 6.000 4.562 4.252 4.660 . 0 0 "[ . 1 . ]" 1 47 1 7 ASP HB3 1 25 LEU MD1 5.340 . 5.840 3.380 2.633 3.869 . 0 0 "[ . 1 . ]" 1 48 1 7 ASP HB3 1 70 PHE HB2 4.570 . 5.070 4.562 3.839 4.688 . 0 0 "[ . 1 . ]" 1 49 1 7 ASP HB3 1 70 PHE HB3 4.120 . 4.620 3.659 2.950 3.921 . 0 0 "[ . 1 . ]" 1 50 1 7 ASP HB3 1 70 PHE QD 4.500 . 5.000 3.766 2.709 4.054 . 0 0 "[ . 1 . ]" 1 51 1 7 ASP HB3 1 8 GLN H 4.400 . 4.900 4.299 4.232 4.370 . 0 0 "[ . 1 . ]" 1 52 1 8 GLN H 1 10 LEU H 4.510 . 5.010 3.720 3.645 3.785 . 0 0 "[ . 1 . ]" 1 53 1 8 GLN H 1 11 VAL H 4.640 . 5.140 4.699 4.660 4.752 . 0 0 "[ . 1 . ]" 1 54 1 8 GLN H 1 8 GLN HB2 3.140 . 3.640 2.467 2.327 2.562 . 0 0 "[ . 1 . ]" 1 55 1 8 GLN H 1 8 GLN HB3 3.580 . 4.080 3.046 2.450 3.600 . 0 0 "[ . 1 . ]" 1 56 1 8 GLN H 1 8 GLN QG 4.580 . 5.080 3.089 2.071 4.019 . 0 0 "[ . 1 . ]" 1 57 1 8 GLN H 1 9 VAL H 3.370 . 3.870 2.623 2.501 2.688 . 0 0 "[ . 1 . ]" 1 58 1 8 GLN HA 1 11 VAL H 4.050 . 4.550 3.826 3.686 3.918 . 0 0 "[ . 1 . ]" 1 59 1 8 GLN HA 1 11 VAL MG2 4.730 . 5.230 3.937 3.674 4.021 . 0 0 "[ . 1 . ]" 1 60 1 8 GLN HA 1 12 GLU H 4.560 . 5.060 4.591 4.350 4.726 . 0 0 "[ . 1 . ]" 1 61 1 8 GLN HA 1 8 GLN HB2 2.970 . 3.470 2.771 2.475 3.047 . 0 0 "[ . 1 . ]" 1 62 1 8 GLN HA 1 9 VAL HA 4.740 . 5.240 4.669 4.639 4.722 . 0 0 "[ . 1 . ]" 1 63 1 8 GLN HA 1 9 VAL MG1 6.080 . 6.580 4.955 4.738 5.116 . 0 0 "[ . 1 . ]" 1 64 1 8 GLN HB2 1 9 VAL H 3.930 . 4.430 3.215 2.438 3.986 . 0 0 "[ . 1 . ]" 1 65 1 8 GLN HB2 1 9 VAL MG1 6.210 . 6.710 4.204 2.931 5.248 . 0 0 "[ . 1 . ]" 1 66 1 8 GLN HB3 1 9 VAL H 3.580 . 4.080 3.099 2.440 3.655 . 0 0 "[ . 1 . ]" 1 67 1 8 GLN HB3 1 9 VAL HA 4.400 . 4.900 4.409 4.158 4.466 . 0 0 "[ . 1 . ]" 1 68 1 8 GLN HB3 1 9 VAL MG1 5.940 . 6.440 4.044 2.797 4.952 . 0 0 "[ . 1 . ]" 1 69 1 8 GLN QG 1 9 VAL H 5.200 . 5.700 3.890 3.572 4.320 . 0 0 "[ . 1 . ]" 1 70 1 8 GLN QG 1 9 VAL MG1 6.580 . 7.080 4.561 3.164 4.954 . 0 0 "[ . 1 . ]" 1 71 1 9 VAL H 1 10 LEU H 3.330 . 3.830 2.379 2.307 2.518 . 0 0 "[ . 1 . ]" 1 72 1 9 VAL H 1 11 VAL H 4.860 . 5.360 4.059 3.988 4.134 . 0 0 "[ . 1 . ]" 1 73 1 9 VAL H 1 9 VAL HB 3.610 . 4.110 3.001 2.594 3.668 . 0 0 "[ . 1 . ]" 1 74 1 9 VAL HA 1 12 GLU H 4.430 . 4.930 3.270 3.018 3.556 . 0 0 "[ . 1 . ]" 1 75 1 9 VAL HA 1 12 GLU HG2 4.720 . 5.220 3.793 2.061 4.838 . 0 0 "[ . 1 . ]" 1 76 1 9 VAL HA 1 12 GLU HG3 4.720 . 5.220 3.296 2.932 3.989 . 0 0 "[ . 1 . ]" 1 77 1 9 VAL HA 1 13 ARG H 4.220 . 4.720 4.217 4.117 4.307 . 0 0 "[ . 1 . ]" 1 78 1 9 VAL HB 1 10 LEU H 4.080 . 4.580 4.158 4.114 4.193 . 0 0 "[ . 1 . ]" 1 79 1 9 VAL MG1 1 12 GLU HG3 6.520 . 7.020 5.344 4.644 5.623 . 0 0 "[ . 1 . ]" 1 80 1 9 VAL MG2 1 10 LEU H 4.820 . 5.320 3.392 2.430 3.937 . 0 0 "[ . 1 . ]" 1 81 1 9 VAL MG2 1 10 LEU HA 5.240 . 5.740 3.515 2.997 3.817 . 0 0 "[ . 1 . ]" 1 82 1 9 VAL MG2 1 13 ARG HB3 5.400 . 5.900 4.482 4.252 4.597 . 0 0 "[ . 1 . ]" 1 83 1 9 VAL MG2 1 13 ARG QD 5.550 . 6.050 4.116 3.899 4.230 . 0 0 "[ . 1 . ]" 1 84 1 10 LEU H 1 10 LEU HG 4.500 . 5.000 4.486 4.456 4.504 . 0 0 "[ . 1 . ]" 1 85 1 10 LEU H 1 10 LEU MD1 5.040 . 5.540 4.038 4.012 4.082 . 0 0 "[ . 1 . ]" 1 86 1 10 LEU H 1 10 LEU MD2 5.000 . 5.500 4.193 4.175 4.223 . 0 0 "[ . 1 . ]" 1 87 1 10 LEU H 1 11 VAL H 3.520 . 4.020 2.507 2.449 2.568 . 0 0 "[ . 1 . ]" 1 88 1 10 LEU H 1 25 LEU MD1 5.990 . 6.490 5.004 4.872 5.080 . 0 0 "[ . 1 . ]" 1 89 1 10 LEU HA 1 10 LEU HG 3.820 . 4.320 3.082 3.017 3.154 . 0 0 "[ . 1 . ]" 1 90 1 10 LEU HA 1 10 LEU MD1 4.400 . 4.900 1.987 1.971 2.011 . 0 0 "[ . 1 . ]" 1 91 1 10 LEU HA 1 11 VAL MG2 6.040 . 6.540 5.026 5.004 5.049 . 0 0 "[ . 1 . ]" 1 92 1 10 LEU HA 1 13 ARG H 3.910 . 4.410 3.323 3.200 3.455 . 0 0 "[ . 1 . ]" 1 93 1 10 LEU HA 1 13 ARG HB2 4.510 . 5.010 3.332 3.185 3.611 . 0 0 "[ . 1 . ]" 1 94 1 10 LEU HA 1 13 ARG HB3 4.260 . 4.760 2.568 2.386 2.747 . 0 0 "[ . 1 . ]" 1 95 1 10 LEU HA 1 13 ARG QD 4.370 . 4.870 3.392 3.187 3.659 . 0 0 "[ . 1 . ]" 1 96 1 10 LEU HA 1 14 VAL H 4.450 . 4.950 4.416 4.288 4.494 . 0 0 "[ . 1 . ]" 1 97 1 10 LEU HA 1 21 ALA MB 4.310 . 4.810 3.610 3.483 3.673 . 0 0 "[ . 1 . ]" 1 98 1 10 LEU HG 1 11 VAL H 5.050 . 5.550 4.287 4.227 4.334 . 0 0 "[ . 1 . ]" 1 99 1 10 LEU HG 1 25 LEU MD1 5.850 . 6.350 2.991 2.722 3.295 . 0 0 "[ . 1 . ]" 1 100 1 10 LEU HG 1 25 LEU MD2 6.060 . 6.560 3.063 2.874 3.182 . 0 0 "[ . 1 . ]" 1 101 1 10 LEU QB 1 11 VAL H 4.160 . 4.660 2.863 2.819 2.894 . 0 0 "[ . 1 . ]" 1 102 1 10 LEU QB 1 11 VAL MG2 5.860 . 6.360 3.334 3.301 3.382 . 0 0 "[ . 1 . ]" 1 103 1 10 LEU QB 1 21 ALA MB 6.070 . 6.570 4.546 4.517 4.575 . 0 0 "[ . 1 . ]" 1 104 1 10 LEU QB 1 25 LEU MD1 4.920 . 5.420 2.843 2.748 2.891 . 0 0 "[ . 1 . ]" 1 105 1 10 LEU QB 1 25 LEU MD2 5.780 . 6.280 3.781 3.601 3.920 . 0 0 "[ . 1 . ]" 1 106 1 10 LEU MD1 1 11 VAL H 6.150 . 6.650 4.675 4.616 4.721 . 0 0 "[ . 1 . ]" 1 107 1 10 LEU MD1 1 13 ARG QD 5.820 . 6.320 2.561 2.380 3.059 . 0 0 "[ . 1 . ]" 1 108 1 10 LEU MD1 1 14 VAL MG2 6.920 . 7.420 3.385 3.127 3.489 . 0 0 "[ . 1 . ]" 1 109 1 10 LEU MD1 1 21 ALA HA 5.370 . 5.870 2.683 2.495 2.813 . 0 0 "[ . 1 . ]" 1 110 1 10 LEU MD1 1 21 ALA MB 5.670 . 6.170 2.042 1.996 2.079 . 0 0 "[ . 1 . ]" 1 111 1 10 LEU MD1 1 24 LEU QB 4.370 . 4.870 2.826 2.728 3.035 . 0 0 "[ . 1 . ]" 1 112 1 10 LEU MD1 1 25 LEU MD1 6.710 . 7.210 4.150 3.972 4.330 . 0 0 "[ . 1 . ]" 1 113 1 10 LEU MD2 1 11 VAL H 5.680 . 6.180 4.748 4.708 4.785 . 0 0 "[ . 1 . ]" 1 114 1 10 LEU MD2 1 24 LEU H 5.960 . 6.460 4.351 4.112 4.701 . 0 0 "[ . 1 . ]" 1 115 1 10 LEU MD2 1 24 LEU QB 4.670 . 5.170 2.679 2.482 2.980 . 0 0 "[ . 1 . ]" 1 116 1 10 LEU MD2 1 25 LEU H 5.690 . 6.190 3.086 2.865 3.335 . 0 0 "[ . 1 . ]" 1 117 1 10 LEU MD2 1 25 LEU HA 5.310 . 5.810 2.590 2.473 2.714 . 0 0 "[ . 1 . ]" 1 118 1 10 LEU MD2 1 25 LEU HG 5.600 . 6.100 4.303 4.270 4.361 . 0 0 "[ . 1 . ]" 1 119 1 10 LEU MD2 1 25 LEU MD1 4.020 . 4.520 2.052 1.997 2.085 . 0 0 "[ . 1 . ]" 1 120 1 10 LEU MD2 1 25 LEU MD2 6.360 . 6.860 3.480 3.376 3.566 . 0 0 "[ . 1 . ]" 1 121 1 10 LEU MD2 1 28 ARG HD2 6.080 . 6.580 3.080 2.610 3.550 . 0 0 "[ . 1 . ]" 1 122 1 11 VAL H 1 11 VAL HB 3.180 . 3.680 2.279 2.260 2.299 . 0 0 "[ . 1 . ]" 1 123 1 11 VAL H 1 11 VAL MG2 3.880 . 4.380 2.506 2.450 2.543 . 0 0 "[ . 1 . ]" 1 124 1 11 VAL H 1 12 GLU H 3.470 . 3.970 2.534 2.490 2.602 . 0 0 "[ . 1 . ]" 1 125 1 11 VAL H 1 25 LEU MD1 5.640 . 6.140 4.485 4.306 4.633 . 0 0 "[ . 1 . ]" 1 126 1 11 VAL H 1 25 LEU MD2 5.750 . 6.250 4.373 4.222 4.551 . 0 0 "[ . 1 . ]" 1 127 1 11 VAL HA 1 14 VAL H 3.940 . 4.440 3.267 3.156 3.364 . 0 0 "[ . 1 . ]" 1 128 1 11 VAL HA 1 14 VAL HB 3.580 . 4.080 2.920 2.735 3.117 . 0 0 "[ . 1 . ]" 1 129 1 11 VAL HA 1 14 VAL MG2 4.950 . 5.450 3.207 3.032 3.374 . 0 0 "[ . 1 . ]" 1 130 1 11 VAL HA 1 15 GLN H 4.570 . 5.070 4.433 4.172 4.585 . 0 0 "[ . 1 . ]" 1 131 1 11 VAL HA 1 25 LEU MD1 5.980 . 6.480 4.479 4.228 4.646 . 0 0 "[ . 1 . ]" 1 132 1 11 VAL HA 1 25 LEU MD2 4.790 . 5.290 3.092 2.857 3.312 . 0 0 "[ . 1 . ]" 1 133 1 11 VAL HA 1 61 LEU MD1 5.120 . 5.620 2.846 2.729 2.970 . 0 0 "[ . 1 . ]" 1 134 1 11 VAL HA 1 61 LEU MD2 4.380 . 4.880 3.215 2.917 3.369 . 0 0 "[ . 1 . ]" 1 135 1 11 VAL HB 1 12 GLU H 3.920 . 4.420 2.869 2.753 2.977 . 0 0 "[ . 1 . ]" 1 136 1 11 VAL HB 1 25 LEU MD2 6.090 . 6.590 4.721 4.545 4.933 . 0 0 "[ . 1 . ]" 1 137 1 11 VAL MG1 1 12 GLU H 4.760 . 5.260 3.358 3.296 3.453 . 0 0 "[ . 1 . ]" 1 138 1 11 VAL MG1 1 12 GLU HA 4.720 . 5.220 3.382 3.261 3.503 . 0 0 "[ . 1 . ]" 1 139 1 11 VAL MG1 1 12 GLU HG2 6.000 . 6.500 4.194 3.575 4.997 . 0 0 "[ . 1 . ]" 1 140 1 11 VAL MG1 1 14 VAL HB 5.690 . 6.190 3.861 3.640 3.985 . 0 0 "[ . 1 . ]" 1 141 1 11 VAL MG1 1 14 VAL MG2 6.970 . 7.470 4.549 4.374 4.740 . 0 0 "[ . 1 . ]" 1 142 1 11 VAL MG1 1 15 GLN H 5.510 . 6.010 4.283 4.042 4.395 . 0 0 "[ . 1 . ]" 1 143 1 11 VAL MG1 1 15 GLN HE22 6.090 . 6.590 3.663 2.860 4.383 . 0 0 "[ . 1 . ]" 1 144 1 11 VAL MG1 1 15 GLN HE21 5.250 . 5.750 3.485 2.328 5.146 . 0 0 "[ . 1 . ]" 1 145 1 11 VAL MG1 1 15 GLN HG2 6.340 . 6.840 4.281 3.966 4.435 . 0 0 "[ . 1 . ]" 1 146 1 11 VAL MG1 1 15 GLN HG3 6.410 . 6.910 3.511 3.017 5.350 . 0 0 "[ . 1 . ]" 1 147 1 11 VAL MG1 1 25 LEU MD2 7.140 . 7.640 3.887 3.693 4.070 . 0 0 "[ . 1 . ]" 1 148 1 11 VAL MG1 1 61 LEU HA 5.980 . 6.480 4.551 4.319 4.693 . 0 0 "[ . 1 . ]" 1 149 1 11 VAL MG1 1 61 LEU MD1 4.760 . 5.260 2.215 2.156 2.341 . 0 0 "[ . 1 . ]" 1 150 1 11 VAL MG1 1 61 LEU MD2 3.720 . 4.220 2.265 2.164 2.325 . 0 0 "[ . 1 . ]" 1 151 1 11 VAL MG1 1 64 PHE QD 5.900 . 6.400 2.351 2.189 2.806 . 0 0 "[ . 1 . ]" 1 152 1 11 VAL MG1 1 64 PHE QE 6.300 . 6.800 3.040 2.763 3.440 . 0 0 "[ . 1 . ]" 1 153 1 11 VAL MG1 1 70 PHE HB2 5.800 . 6.300 4.144 3.884 4.458 . 0 0 "[ . 1 . ]" 1 154 1 11 VAL MG1 1 70 PHE QD 6.320 . 6.820 3.194 3.073 3.355 . 0 0 "[ . 1 . ]" 1 155 1 11 VAL MG2 1 12 GLU H 5.310 . 5.810 4.117 4.038 4.155 . 0 0 "[ . 1 . ]" 1 156 1 11 VAL MG2 1 14 VAL HB 5.810 . 6.310 4.367 4.183 4.552 . 0 0 "[ . 1 . ]" 1 157 1 11 VAL MG2 1 25 LEU MD1 5.160 . 5.660 2.891 2.704 3.089 . 0 0 "[ . 1 . ]" 1 158 1 11 VAL MG2 1 25 LEU MD2 5.280 . 5.780 2.316 2.168 2.525 . 0 0 "[ . 1 . ]" 1 159 1 11 VAL MG2 1 61 LEU MD1 5.700 . 6.200 2.244 2.135 2.365 . 0 0 "[ . 1 . ]" 1 160 1 11 VAL MG2 1 61 LEU MD2 5.290 . 5.790 3.660 3.483 3.702 . 0 0 "[ . 1 . ]" 1 161 1 11 VAL MG2 1 70 PHE HB2 4.910 . 5.410 2.695 2.527 2.922 . 0 0 "[ . 1 . ]" 1 162 1 11 VAL MG2 1 70 PHE HB3 5.540 . 6.040 3.643 3.422 3.873 . 0 0 "[ . 1 . ]" 1 163 1 11 VAL MG2 1 70 PHE QD 4.420 . 4.920 2.627 2.461 2.821 . 0 0 "[ . 1 . ]" 1 164 1 11 VAL MG2 1 70 PHE QE 5.550 . 6.050 3.039 2.929 3.148 . 0 0 "[ . 1 . ]" 1 165 1 12 GLU H 1 12 GLU HG2 4.050 . 4.550 2.875 2.043 3.557 . 0 0 "[ . 1 . ]" 1 166 1 12 GLU H 1 12 GLU HG3 4.280 . 4.780 2.781 2.236 3.653 . 0 0 "[ . 1 . ]" 1 167 1 12 GLU H 1 13 ARG H 3.450 . 3.950 2.544 2.496 2.596 . 0 0 "[ . 1 . ]" 1 168 1 12 GLU H 1 15 GLN H 5.110 . 5.610 4.858 4.764 5.094 . 0 0 "[ . 1 . ]" 1 169 1 12 GLU HA 1 12 GLU HG2 3.650 . 4.150 2.875 2.395 3.785 . 0 0 "[ . 1 . ]" 1 170 1 12 GLU HA 1 12 GLU HG3 3.860 . 4.360 3.364 2.971 3.741 . 0 0 "[ . 1 . ]" 1 171 1 12 GLU HA 1 15 GLN H 3.850 . 4.350 3.244 2.977 3.707 . 0 0 "[ . 1 . ]" 1 172 1 12 GLU HA 1 15 GLN HG2 4.800 . 5.300 4.257 2.315 4.809 . 0 0 "[ . 1 . ]" 1 173 1 12 GLU HA 1 16 LYS H 4.640 . 5.140 4.651 4.497 4.715 . 0 0 "[ . 1 . ]" 1 174 1 12 GLU HG2 1 13 ARG H 4.950 . 5.450 4.374 2.874 5.105 . 0 0 "[ . 1 . ]" 1 175 1 13 ARG H 1 13 ARG HB2 3.880 . 4.380 2.587 2.523 2.641 . 0 0 "[ . 1 . ]" 1 176 1 13 ARG H 1 13 ARG HB3 3.020 . 3.520 2.412 2.345 2.437 . 0 0 "[ . 1 . ]" 1 177 1 13 ARG H 1 13 ARG QD 4.970 . 5.470 4.395 4.339 4.531 . 0 0 "[ . 1 . ]" 1 178 1 13 ARG H 1 13 ARG QG 4.870 . 5.370 3.943 3.926 3.957 . 0 0 "[ . 1 . ]" 1 179 1 13 ARG H 1 14 VAL H 3.410 . 3.910 2.547 2.487 2.591 . 0 0 "[ . 1 . ]" 1 180 1 13 ARG H 1 14 VAL MG2 5.700 . 6.200 4.115 4.076 4.152 . 0 0 "[ . 1 . ]" 1 181 1 13 ARG H 1 16 LYS H 4.870 . 5.370 4.842 4.735 4.896 . 0 0 "[ . 1 . ]" 1 182 1 13 ARG H 1 21 ALA MB 5.730 . 6.230 4.543 4.385 4.659 . 0 0 "[ . 1 . ]" 1 183 1 13 ARG HA 1 13 ARG QD 4.480 . 4.980 3.975 3.912 4.154 . 0 0 "[ . 1 . ]" 1 184 1 13 ARG HA 1 13 ARG QG 3.340 . 3.840 2.393 2.350 2.449 . 0 0 "[ . 1 . ]" 1 185 1 13 ARG HA 1 16 LYS H 4.000 . 4.500 3.331 3.249 3.529 . 0 0 "[ . 1 . ]" 1 186 1 13 ARG HA 1 16 LYS HB2 3.870 . 4.370 2.828 2.675 3.006 . 0 0 "[ . 1 . ]" 1 187 1 13 ARG HA 1 16 LYS QE 5.430 . 5.930 3.774 2.069 4.920 . 0 0 "[ . 1 . ]" 1 188 1 13 ARG HB2 1 21 ALA MB 4.970 . 5.470 3.926 3.821 4.068 . 0 0 "[ . 1 . ]" 1 189 1 13 ARG HB3 1 13 ARG QD 3.640 . 4.140 2.417 2.390 2.467 . 0 0 "[ . 1 . ]" 1 190 1 13 ARG HB3 1 14 VAL H 4.030 . 4.530 2.920 2.848 2.978 . 0 0 "[ . 1 . ]" 1 191 1 13 ARG HB3 1 14 VAL HA 4.550 . 5.050 4.565 4.494 4.615 . 0 0 "[ . 1 . ]" 1 192 1 13 ARG HB3 1 14 VAL MG2 5.630 . 6.130 3.362 3.299 3.452 . 0 0 "[ . 1 . ]" 1 193 1 13 ARG HB3 1 21 ALA MB 5.140 . 5.640 2.711 2.561 2.884 . 0 0 "[ . 1 . ]" 1 194 1 13 ARG QD 1 21 ALA MB 5.120 . 5.620 2.232 2.059 2.581 . 0 0 "[ . 1 . ]" 1 195 1 13 ARG QG 1 14 VAL H 4.200 . 4.700 3.796 3.703 3.875 . 0 0 "[ . 1 . ]" 1 196 1 13 ARG QG 1 14 VAL MG2 5.740 . 6.240 3.730 3.583 3.841 . 0 0 "[ . 1 . ]" 1 197 1 13 ARG QG 1 18 ASP H 5.490 . 5.990 4.024 3.936 4.101 . 0 0 "[ . 1 . ]" 1 198 1 13 ARG QG 1 18 ASP HB2 4.520 . 5.020 2.902 2.757 3.086 . 0 0 "[ . 1 . ]" 1 199 1 13 ARG QG 1 18 ASP HB3 4.600 . 5.100 2.265 2.114 2.411 . 0 0 "[ . 1 . ]" 1 200 1 13 ARG QG 1 21 ALA MB 4.460 . 4.960 2.172 2.066 2.244 . 0 0 "[ . 1 . ]" 1 201 1 14 VAL H 1 14 VAL HB 3.200 . 3.700 2.392 2.317 2.424 . 0 0 "[ . 1 . ]" 1 202 1 14 VAL H 1 14 VAL MG2 3.730 . 4.230 2.317 2.234 2.439 . 0 0 "[ . 1 . ]" 1 203 1 14 VAL H 1 15 GLN H 3.430 . 3.930 2.525 2.472 2.610 . 0 0 "[ . 1 . ]" 1 204 1 14 VAL H 1 18 ASP H 5.040 . 5.540 5.070 4.991 5.096 . 0 0 "[ . 1 . ]" 1 205 1 14 VAL H 1 21 ALA MB 5.150 . 5.650 3.666 3.510 3.812 . 0 0 "[ . 1 . ]" 1 206 1 14 VAL H 1 61 LEU MD2 5.720 . 6.220 3.981 3.720 4.105 . 0 0 "[ . 1 . ]" 1 207 1 14 VAL HA 1 14 VAL MG1 3.350 . 3.850 2.447 2.418 2.506 . 0 0 "[ . 1 . ]" 1 208 1 14 VAL HA 1 16 LYS H 4.690 . 5.190 3.757 3.643 4.004 . 0 0 "[ . 1 . ]" 1 209 1 14 VAL HA 1 17 GLY H 4.180 . 4.680 3.583 3.477 3.683 . 0 0 "[ . 1 . ]" 1 210 1 14 VAL HA 1 18 ASP H 3.200 . 3.700 2.822 2.730 2.981 . 0 0 "[ . 1 . ]" 1 211 1 14 VAL HA 1 18 ASP HB2 4.220 . 4.720 4.192 4.136 4.247 . 0 0 "[ . 1 . ]" 1 212 1 14 VAL HA 1 18 ASP HB3 4.010 . 4.510 2.878 2.770 2.997 . 0 0 "[ . 1 . ]" 1 213 1 14 VAL HA 1 21 ALA MB 5.680 . 6.180 3.091 2.823 3.322 . 0 0 "[ . 1 . ]" 1 214 1 14 VAL HB 1 15 GLN H 3.560 . 4.060 2.974 2.775 3.059 . 0 0 "[ . 1 . ]" 1 215 1 14 VAL HB 1 61 LEU MD2 4.300 . 4.800 2.412 2.308 2.559 . 0 0 "[ . 1 . ]" 1 216 1 14 VAL MG1 1 15 GLN H 5.060 . 5.560 3.633 3.307 3.734 . 0 0 "[ . 1 . ]" 1 217 1 14 VAL MG1 1 17 GLY H 6.300 . 6.800 4.143 4.018 4.247 . 0 0 "[ . 1 . ]" 1 218 1 14 VAL MG1 1 19 GLN HA 4.770 . 5.270 3.626 3.441 3.995 . 0 0 "[ . 1 . ]" 1 219 1 14 VAL MG1 1 21 ALA MB 6.390 . 6.890 3.988 3.880 4.179 . 0 0 "[ . 1 . ]" 1 220 1 14 VAL MG1 1 22 PHE H 5.940 . 6.440 3.909 3.790 4.013 . 0 0 "[ . 1 . ]" 1 221 1 14 VAL MG1 1 22 PHE HB2 4.420 . 4.920 2.290 2.119 2.391 . 0 0 "[ . 1 . ]" 1 222 1 14 VAL MG1 1 22 PHE HB3 5.240 . 5.740 3.649 3.516 3.742 . 0 0 "[ . 1 . ]" 1 223 1 14 VAL MG1 1 22 PHE QD 4.770 . 5.270 2.364 2.207 2.464 . 0 0 "[ . 1 . ]" 1 224 1 14 VAL MG1 1 22 PHE QE 6.850 . 7.350 3.847 3.700 3.955 . 0 0 "[ . 1 . ]" 1 225 1 14 VAL MG1 1 58 TYR HA 5.600 . 6.100 3.830 3.612 3.974 . 0 0 "[ . 1 . ]" 1 226 1 14 VAL MG1 1 58 TYR QD 4.230 . 4.730 2.957 2.702 3.068 . 0 0 "[ . 1 . ]" 1 227 1 14 VAL MG1 1 58 TYR QE 3.680 . 4.180 2.646 2.269 2.762 . 0 0 "[ . 1 . ]" 1 228 1 14 VAL MG1 1 61 LEU HB3 5.980 . 6.480 3.635 3.501 3.759 . 0 0 "[ . 1 . ]" 1 229 1 14 VAL MG2 1 15 GLN H 5.620 . 6.120 4.068 4.024 4.110 . 0 0 "[ . 1 . ]" 1 230 1 14 VAL MG2 1 19 GLN HA 5.450 . 5.950 4.022 3.893 4.409 . 0 0 "[ . 1 . ]" 1 231 1 14 VAL MG2 1 21 ALA H 5.150 . 5.650 3.848 3.776 3.975 . 0 0 "[ . 1 . ]" 1 232 1 14 VAL MG2 1 22 PHE H 4.190 . 4.690 2.587 2.537 2.647 . 0 0 "[ . 1 . ]" 1 233 1 14 VAL MG2 1 22 PHE HA 4.060 . 4.560 2.348 2.244 2.454 . 0 0 "[ . 1 . ]" 1 234 1 14 VAL MG2 1 22 PHE HB2 3.880 . 4.380 2.168 2.115 2.229 . 0 0 "[ . 1 . ]" 1 235 1 14 VAL MG2 1 22 PHE HB3 4.560 . 5.060 3.493 3.457 3.531 . 0 0 "[ . 1 . ]" 1 236 1 14 VAL MG2 1 22 PHE QD 3.860 . 4.360 2.239 2.161 2.386 . 0 0 "[ . 1 . ]" 1 237 1 14 VAL MG2 1 23 ASN H 5.600 . 6.100 4.506 4.439 4.573 . 0 0 "[ . 1 . ]" 1 238 1 14 VAL MG2 1 25 LEU HG 6.210 . 6.710 5.161 4.961 5.238 . 0 0 "[ . 1 . ]" 1 239 1 14 VAL MG2 1 25 LEU MD2 5.780 . 6.280 2.794 2.645 2.884 . 0 0 "[ . 1 . ]" 1 240 1 14 VAL MG2 1 58 TYR QD 6.790 . 7.290 4.413 4.192 4.586 . 0 0 "[ . 1 . ]" 1 241 1 14 VAL MG2 1 58 TYR QE 6.730 . 7.230 4.201 3.812 4.382 . 0 0 "[ . 1 . ]" 1 242 1 14 VAL MG2 1 61 LEU MD2 6.360 . 6.860 3.592 3.466 3.745 . 0 0 "[ . 1 . ]" 1 243 1 15 GLN H 1 15 GLN HB2 3.490 . 3.990 2.574 2.345 3.623 . 0 0 "[ . 1 . ]" 1 244 1 15 GLN H 1 15 GLN HB3 3.670 . 4.170 3.419 2.546 3.598 . 0 0 "[ . 1 . ]" 1 245 1 15 GLN H 1 15 GLN HG2 3.540 . 4.040 3.349 2.009 3.624 . 0 0 "[ . 1 . ]" 1 246 1 15 GLN H 1 15 GLN HG3 3.920 . 4.420 2.603 2.375 3.531 . 0 0 "[ . 1 . ]" 1 247 1 15 GLN H 1 16 LYS H 3.490 . 3.990 2.548 2.481 2.578 . 0 0 "[ . 1 . ]" 1 248 1 15 GLN H 1 17 GLY H 4.450 . 4.950 4.055 4.018 4.108 . 0 0 "[ . 1 . ]" 1 249 1 15 GLN HA 1 15 GLN HE22 5.500 . 6.000 5.901 5.862 6.001 0.001 10 0 "[ . 1 . ]" 1 250 1 15 GLN HA 1 15 GLN HG2 3.930 . 4.430 2.606 2.341 3.741 . 0 0 "[ . 1 . ]" 1 251 1 15 GLN HA 1 15 GLN HG3 3.780 . 4.280 3.094 2.923 3.817 . 0 0 "[ . 1 . ]" 1 252 1 15 GLN HA 1 17 GLY H 4.440 . 4.940 3.297 3.202 3.384 . 0 0 "[ . 1 . ]" 1 253 1 15 GLN HA 1 62 ASP HA 4.290 . 4.790 3.985 3.682 4.277 . 0 0 "[ . 1 . ]" 1 254 1 15 GLN HA 1 62 ASP QB 5.190 . 5.690 4.275 3.327 4.643 . 0 0 "[ . 1 . ]" 1 255 1 15 GLN HB2 1 16 LYS H 4.070 . 4.570 3.416 3.222 4.239 . 0 0 "[ . 1 . ]" 1 256 1 15 GLN HB2 1 17 GLY H 5.050 . 5.550 5.000 4.967 5.042 . 0 0 "[ . 1 . ]" 1 257 1 15 GLN HB3 1 15 GLN HE22 4.770 . 5.270 4.503 3.624 4.655 . 0 0 "[ . 1 . ]" 1 258 1 15 GLN HB3 1 16 LYS H 4.570 . 5.070 4.083 4.037 4.254 . 0 0 "[ . 1 . ]" 1 259 1 15 GLN HE22 1 61 LEU MD2 5.660 . 6.160 4.065 3.833 4.411 . 0 0 "[ . 1 . ]" 1 260 1 15 GLN HE22 1 62 ASP HA 4.110 . 4.610 4.195 3.390 4.359 . 0 0 "[ . 1 . ]" 1 261 1 15 GLN HE21 1 61 LEU MD2 5.250 . 5.750 2.779 2.516 4.298 . 0 0 "[ . 1 . ]" 1 262 1 15 GLN HE21 1 62 ASP HA 4.310 . 4.810 3.090 2.674 4.143 . 0 0 "[ . 1 . ]" 1 263 1 15 GLN HG2 1 61 LEU MD2 5.020 . 5.520 2.591 2.295 3.632 . 0 0 "[ . 1 . ]" 1 264 1 15 GLN HG2 1 62 ASP HA 4.810 . 5.310 2.853 2.285 4.826 . 0 0 "[ . 1 . ]" 1 265 1 15 GLN HE22 1 15 GLN HG3 4.010 . 4.510 3.741 3.654 4.148 . 0 0 "[ . 1 . ]" 1 266 1 15 GLN HG3 1 62 ASP HA 4.200 . 4.700 4.122 3.904 4.446 . 0 0 "[ . 1 . ]" 1 267 1 16 LYS H 1 16 LYS HB2 3.310 . 3.810 2.383 2.308 2.447 . 0 0 "[ . 1 . ]" 1 268 1 16 LYS H 1 16 LYS HB3 3.660 . 4.160 3.453 2.597 3.632 . 0 0 "[ . 1 . ]" 1 269 1 16 LYS H 1 16 LYS HG3 4.520 . 5.020 2.874 2.487 4.379 . 0 0 "[ . 1 . ]" 1 270 1 16 LYS H 1 17 GLY H 3.300 . 3.800 2.582 2.532 2.631 . 0 0 "[ . 1 . ]" 1 271 1 16 LYS H 1 18 ASP H 4.720 . 5.220 3.542 3.458 3.767 . 0 0 "[ . 1 . ]" 1 272 1 16 LYS HA 1 16 LYS HD2 4.450 . 4.950 4.532 4.142 4.625 . 0 0 "[ . 1 . ]" 1 273 1 16 LYS HA 1 16 LYS HD3 4.350 . 4.850 4.339 4.193 4.563 . 0 0 "[ . 1 . ]" 1 274 1 16 LYS HA 1 16 LYS HG3 3.660 . 4.160 2.793 2.295 2.961 . 0 0 "[ . 1 . ]" 1 275 1 16 LYS HB2 1 16 LYS HD2 4.030 . 4.530 2.690 2.394 3.720 . 0 0 "[ . 1 . ]" 1 276 1 16 LYS HB2 1 16 LYS HD3 3.950 . 4.450 2.998 2.454 3.822 . 0 0 "[ . 1 . ]" 1 277 1 16 LYS HB2 1 17 GLY H 4.500 . 5.000 3.825 3.680 4.284 . 0 0 "[ . 1 . ]" 1 278 1 16 LYS HB2 1 18 ASP H 4.580 . 5.080 3.690 3.386 4.665 . 0 0 "[ . 1 . ]" 1 279 1 16 LYS HB3 1 16 LYS HD3 3.800 . 4.300 2.696 2.426 3.680 . 0 0 "[ . 1 . ]" 1 280 1 16 LYS HB3 1 17 GLY H 4.780 . 5.280 4.207 3.351 4.378 . 0 0 "[ . 1 . ]" 1 281 1 16 LYS HB3 1 18 ASP H 4.650 . 5.150 4.185 3.142 4.652 . 0 0 "[ . 1 . ]" 1 282 1 16 LYS HD2 1 16 LYS HG3 2.980 . 3.480 2.508 2.423 3.048 . 0 0 "[ . 1 . ]" 1 283 1 17 GLY H 1 18 ASP H 3.090 . 3.590 2.438 2.280 2.490 . 0 0 "[ . 1 . ]" 1 284 1 17 GLY H 1 18 ASP HB2 4.720 . 5.220 4.769 4.631 4.794 . 0 0 "[ . 1 . ]" 1 285 1 18 ASP H 1 18 ASP HB2 3.290 . 3.790 2.476 2.441 2.525 . 0 0 "[ . 1 . ]" 1 286 1 18 ASP H 1 18 ASP HB3 3.230 . 3.730 2.562 2.519 2.611 . 0 0 "[ . 1 . ]" 1 287 1 18 ASP H 1 21 ALA MB 6.030 . 6.530 4.284 4.205 4.413 . 0 0 "[ . 1 . ]" 1 288 1 18 ASP HA 1 19 GLN H 3.190 . 3.690 2.196 2.168 2.221 . 0 0 "[ . 1 . ]" 1 289 1 18 ASP HA 1 20 LYS H 4.700 . 5.200 3.580 3.509 3.678 . 0 0 "[ . 1 . ]" 1 290 1 18 ASP HB2 1 21 ALA MB 4.670 . 5.170 3.620 3.523 3.746 . 0 0 "[ . 1 . ]" 1 291 1 18 ASP HB3 1 21 ALA MB 5.260 . 5.760 2.305 2.224 2.378 . 0 0 "[ . 1 . ]" 1 292 1 18 ASP HB3 1 22 PHE H 4.520 . 5.020 4.578 4.521 4.613 . 0 0 "[ . 1 . ]" 1 293 1 19 GLN H 1 19 GLN HB2 3.540 . 4.040 2.472 2.143 2.710 . 0 0 "[ . 1 . ]" 1 294 1 19 GLN H 1 19 GLN HB3 3.360 . 3.860 2.599 2.305 3.467 . 0 0 "[ . 1 . ]" 1 295 1 19 GLN H 1 19 GLN QG 4.820 . 5.320 3.938 2.911 4.008 . 0 0 "[ . 1 . ]" 1 296 1 19 GLN HA 1 21 ALA H 4.610 . 5.110 4.156 4.018 4.270 . 0 0 "[ . 1 . ]" 1 297 1 19 GLN HA 1 22 PHE H 3.830 . 4.330 3.270 3.027 3.505 . 0 0 "[ . 1 . ]" 1 298 1 19 GLN HA 1 22 PHE HB2 4.690 . 5.190 3.373 3.210 3.728 . 0 0 "[ . 1 . ]" 1 299 1 19 GLN HA 1 22 PHE HB3 4.470 . 4.970 3.112 2.869 3.381 . 0 0 "[ . 1 . ]" 1 300 1 19 GLN HA 1 23 ASN H 4.720 . 5.220 4.594 4.055 4.738 . 0 0 "[ . 1 . ]" 1 301 1 19 GLN HB2 1 20 LYS H 4.130 . 4.630 4.007 3.229 4.202 . 0 0 "[ . 1 . ]" 1 302 1 19 GLN HB2 1 20 LYS QE 5.840 . 6.340 4.877 4.594 5.361 . 0 0 "[ . 1 . ]" 1 303 1 19 GLN HB3 1 20 LYS H 4.030 . 4.530 3.091 2.976 3.770 . 0 0 "[ . 1 . ]" 1 304 1 19 GLN HE21 1 22 PHE QD 3.940 . 4.440 3.166 2.910 4.401 . 0 0 "[ . 1 . ]" 1 305 1 19 GLN HE21 1 23 ASN H 4.900 . 5.400 4.818 3.451 5.865 0.465 2 0 "[ . 1 . ]" 1 306 1 20 LYS H 1 20 LYS HB2 3.140 . 3.640 2.497 2.421 2.602 . 0 0 "[ . 1 . ]" 1 307 1 20 LYS H 1 20 LYS HB3 3.630 . 4.130 3.602 3.590 3.614 . 0 0 "[ . 1 . ]" 1 308 1 20 LYS H 1 20 LYS HG2 3.860 . 4.360 2.168 2.080 2.316 . 0 0 "[ . 1 . ]" 1 309 1 20 LYS H 1 20 LYS HG3 3.840 . 4.340 3.450 3.399 3.601 . 0 0 "[ . 1 . ]" 1 310 1 20 LYS H 1 20 LYS QD 4.930 . 5.430 4.067 2.912 4.269 . 0 0 "[ . 1 . ]" 1 311 1 20 LYS H 1 21 ALA H 2.990 . 3.490 2.494 2.396 2.540 . 0 0 "[ . 1 . ]" 1 312 1 20 LYS H 1 21 ALA MB 5.720 . 6.220 4.162 4.053 4.201 . 0 0 "[ . 1 . ]" 1 313 1 20 LYS H 1 22 PHE H 4.650 . 5.150 3.938 3.863 3.998 . 0 0 "[ . 1 . ]" 1 314 1 20 LYS HA 1 20 LYS HG2 4.010 . 4.510 3.067 2.935 3.375 . 0 0 "[ . 1 . ]" 1 315 1 20 LYS HA 1 20 LYS HG3 3.820 . 4.320 3.861 3.785 3.885 . 0 0 "[ . 1 . ]" 1 316 1 20 LYS HA 1 20 LYS QD 4.620 . 5.120 3.162 2.351 3.327 . 0 0 "[ . 1 . ]" 1 317 1 20 LYS HA 1 22 PHE H 4.130 . 4.630 3.960 3.868 4.139 . 0 0 "[ . 1 . ]" 1 318 1 20 LYS HA 1 23 ASN H 3.890 . 4.390 3.065 2.982 3.328 . 0 0 "[ . 1 . ]" 1 319 1 20 LYS HA 1 23 ASN HB2 4.090 . 4.590 3.092 3.004 3.352 . 0 0 "[ . 1 . ]" 1 320 1 20 LYS HA 1 23 ASN HB3 4.380 . 4.880 2.807 2.543 2.965 . 0 0 "[ . 1 . ]" 1 321 1 20 LYS HA 1 24 LEU MD2 5.620 . 6.120 4.179 3.957 4.732 . 0 0 "[ . 1 . ]" 1 322 1 20 LYS HB2 1 21 ALA H 3.680 . 4.180 2.820 2.768 2.850 . 0 0 "[ . 1 . ]" 1 323 1 20 LYS HB3 1 21 ALA H 4.090 . 4.590 3.916 3.804 3.996 . 0 0 "[ . 1 . ]" 1 324 1 20 LYS HG3 1 21 ALA H 4.890 . 5.390 4.936 4.904 5.038 . 0 0 "[ . 1 . ]" 1 325 1 20 LYS QE 1 23 ASN HB3 3.750 . 4.250 3.207 2.802 3.403 . 0 0 "[ . 1 . ]" 1 326 1 20 LYS QE 1 23 ASN HD21 5.530 . 6.030 4.785 4.257 4.955 . 0 0 "[ . 1 . ]" 1 327 1 20 LYS QE 1 24 LEU MD2 6.960 . 7.460 4.590 4.149 5.179 . 0 0 "[ . 1 . ]" 1 328 1 21 ALA H 1 22 PHE H 3.190 . 3.690 2.590 2.547 2.639 . 0 0 "[ . 1 . ]" 1 329 1 21 ALA H 1 24 LEU MD2 5.840 . 6.340 4.714 4.646 4.798 . 0 0 "[ . 1 . ]" 1 330 1 21 ALA HA 1 24 LEU H 3.870 . 4.370 3.467 3.369 3.675 . 0 0 "[ . 1 . ]" 1 331 1 21 ALA HA 1 24 LEU QB 3.710 . 4.210 2.999 2.814 3.099 . 0 0 "[ . 1 . ]" 1 332 1 21 ALA HA 1 24 LEU MD2 3.730 . 4.230 3.088 2.830 3.149 . 0 0 "[ . 1 . ]" 1 333 1 21 ALA MB 1 22 PHE H 4.770 . 5.270 2.792 2.756 2.864 . 0 0 "[ . 1 . ]" 1 334 1 21 ALA MB 1 22 PHE HA 5.760 . 6.260 3.952 3.925 3.975 . 0 0 "[ . 1 . ]" 1 335 1 21 ALA MB 1 22 PHE HB2 5.430 . 5.930 4.102 3.970 4.145 . 0 0 "[ . 1 . ]" 1 336 1 21 ALA MB 1 23 ASN H 5.720 . 6.220 4.558 4.514 4.720 . 0 0 "[ . 1 . ]" 1 337 1 21 ALA MB 1 24 LEU H 6.430 . 6.930 4.660 4.593 4.779 . 0 0 "[ . 1 . ]" 1 338 1 21 ALA MB 1 24 LEU MD2 6.420 . 6.920 4.407 4.082 4.463 . 0 0 "[ . 1 . ]" 1 339 1 21 ALA MB 1 25 LEU MD2 7.440 . 7.940 4.810 4.687 4.881 . 0 0 "[ . 1 . ]" 1 340 1 22 PHE H 1 22 PHE HB2 3.280 . 3.780 2.545 2.520 2.593 . 0 0 "[ . 1 . ]" 1 341 1 22 PHE H 1 22 PHE HB3 3.380 . 3.880 2.547 2.514 2.600 . 0 0 "[ . 1 . ]" 1 342 1 22 PHE H 1 22 PHE QD 4.990 . 5.490 4.207 4.199 4.226 . 0 0 "[ . 1 . ]" 1 343 1 22 PHE H 1 23 ASN H 3.090 . 3.590 2.495 2.456 2.524 . 0 0 "[ . 1 . ]" 1 344 1 22 PHE H 1 23 ASN HB2 4.910 . 5.410 4.803 4.767 4.849 . 0 0 "[ . 1 . ]" 1 345 1 22 PHE HA 1 22 PHE QD 3.260 . 3.760 2.516 2.377 2.607 . 0 0 "[ . 1 . ]" 1 346 1 22 PHE HA 1 25 LEU H 4.000 . 4.500 3.027 2.955 3.075 . 0 0 "[ . 1 . ]" 1 347 1 22 PHE HA 1 25 LEU HB2 4.020 . 4.520 2.904 2.809 2.961 . 0 0 "[ . 1 . ]" 1 348 1 22 PHE HA 1 25 LEU HB3 4.420 . 4.920 2.357 2.290 2.422 . 0 0 "[ . 1 . ]" 1 349 1 22 PHE HA 1 25 LEU MD2 4.340 . 4.840 3.078 3.010 3.140 . 0 0 "[ . 1 . ]" 1 350 1 22 PHE HA 1 26 VAL MG2 5.990 . 6.490 4.141 4.002 4.212 . 0 0 "[ . 1 . ]" 1 351 1 22 PHE HB2 1 23 ASN H 4.000 . 4.500 4.015 3.951 4.036 . 0 0 "[ . 1 . ]" 1 352 1 22 PHE HB2 1 58 TYR QD 4.380 . 4.880 3.281 3.081 3.461 . 0 0 "[ . 1 . ]" 1 353 1 22 PHE HB3 1 23 ASN H 3.630 . 4.130 2.880 2.790 2.922 . 0 0 "[ . 1 . ]" 1 354 1 22 PHE HB3 1 25 LEU MD2 6.290 . 6.790 5.197 5.126 5.246 . 0 0 "[ . 1 . ]" 1 355 1 22 PHE HB3 1 58 TYR QD 4.640 . 5.140 3.630 3.401 3.914 . 0 0 "[ . 1 . ]" 1 356 1 22 PHE HZ 1 54 PHE HA 4.250 . 4.750 3.055 2.888 3.263 . 0 0 "[ . 1 . ]" 1 357 1 22 PHE HZ 1 54 PHE HB2 4.650 . 5.150 4.522 4.193 4.675 . 0 0 "[ . 1 . ]" 1 358 1 22 PHE HZ 1 57 ALA MB 4.710 . 5.210 2.686 2.433 2.932 . 0 0 "[ . 1 . ]" 1 359 1 22 PHE HZ 1 58 TYR H 4.370 . 4.870 3.263 3.092 3.424 . 0 0 "[ . 1 . ]" 1 360 1 22 PHE HZ 1 58 TYR HA 4.590 . 5.090 3.584 3.395 3.925 . 0 0 "[ . 1 . ]" 1 361 1 22 PHE QD 1 25 LEU HB2 5.190 . 5.690 4.173 3.999 4.270 . 0 0 "[ . 1 . ]" 1 362 1 22 PHE QD 1 25 LEU MD2 4.390 . 4.890 2.305 2.191 2.349 . 0 0 "[ . 1 . ]" 1 363 1 22 PHE QD 1 26 VAL H 5.430 . 5.930 4.773 4.701 4.833 . 0 0 "[ . 1 . ]" 1 364 1 22 PHE QD 1 26 VAL MG2 5.220 . 5.720 2.980 2.850 3.091 . 0 0 "[ . 1 . ]" 1 365 1 22 PHE QD 1 26 VAL QG 4.870 . 5.370 2.962 2.834 3.071 . 0 0 "[ . 1 . ]" 1 366 1 22 PHE QD 1 58 TYR HA 5.380 . 5.880 4.186 3.972 4.386 . 0 0 "[ . 1 . ]" 1 367 1 22 PHE QD 1 58 TYR HB3 5.860 . 6.360 5.225 5.100 5.295 . 0 0 "[ . 1 . ]" 1 368 1 22 PHE QD 1 58 TYR QD 4.430 . 4.930 3.046 2.997 3.154 . 0 0 "[ . 1 . ]" 1 369 1 22 PHE QE 1 25 LEU MD2 5.660 . 6.160 2.596 2.473 2.680 . 0 0 "[ . 1 . ]" 1 370 1 22 PHE QE 1 26 VAL QG 4.800 . 5.300 2.684 2.535 2.801 . 0 0 "[ . 1 . ]" 1 371 1 22 PHE QE 1 54 PHE HA 5.060 . 5.560 4.151 3.906 4.325 . 0 0 "[ . 1 . ]" 1 372 1 22 PHE QE 1 54 PHE HB3 4.280 . 4.780 2.655 2.340 2.875 . 0 0 "[ . 1 . ]" 1 373 1 22 PHE QE 1 57 ALA MB 5.450 . 5.950 3.309 3.127 3.466 . 0 0 "[ . 1 . ]" 1 374 1 22 PHE QE 1 58 TYR H 4.870 . 5.370 3.997 3.867 4.088 . 0 0 "[ . 1 . ]" 1 375 1 22 PHE QE 1 58 TYR HA 4.340 . 4.840 3.335 3.170 3.512 . 0 0 "[ . 1 . ]" 1 376 1 22 PHE QE 1 58 TYR HB2 4.610 . 5.110 2.684 2.608 2.800 . 0 0 "[ . 1 . ]" 1 377 1 22 PHE QE 1 58 TYR HB3 4.600 . 5.100 4.132 4.096 4.167 . 0 0 "[ . 1 . ]" 1 378 1 23 ASN H 1 23 ASN HB2 3.060 . 3.560 2.503 2.451 2.522 . 0 0 "[ . 1 . ]" 1 379 1 23 ASN H 1 23 ASN HB3 3.490 . 3.990 2.460 2.428 2.491 . 0 0 "[ . 1 . ]" 1 380 1 23 ASN H 1 24 LEU H 3.290 . 3.790 2.689 2.620 2.804 . 0 0 "[ . 1 . ]" 1 381 1 23 ASN H 1 24 LEU MD2 6.060 . 6.560 4.123 3.855 5.152 . 0 0 "[ . 1 . ]" 1 382 1 23 ASN H 1 25 LEU H 4.500 . 5.000 3.923 3.874 4.008 . 0 0 "[ . 1 . ]" 1 383 1 23 ASN H 1 26 VAL MG2 5.380 . 5.880 4.547 4.517 4.569 . 0 0 "[ . 1 . ]" 1 384 1 23 ASN HA 1 23 ASN HD21 4.680 . 5.180 3.878 3.842 3.914 . 0 0 "[ . 1 . ]" 1 385 1 23 ASN HA 1 23 ASN HD22 4.350 . 4.850 4.380 4.358 4.406 . 0 0 "[ . 1 . ]" 1 386 1 23 ASN HA 1 24 LEU H 3.540 . 4.040 3.587 3.550 3.609 . 0 0 "[ . 1 . ]" 1 387 1 23 ASN HA 1 25 LEU H 4.490 . 4.990 4.140 4.077 4.253 . 0 0 "[ . 1 . ]" 1 388 1 23 ASN HA 1 26 VAL H 3.940 . 4.440 3.256 3.177 3.340 . 0 0 "[ . 1 . ]" 1 389 1 23 ASN HA 1 26 VAL HB 3.190 . 3.690 2.685 2.557 2.821 . 0 0 "[ . 1 . ]" 1 390 1 23 ASN HA 1 26 VAL MG1 5.070 . 5.570 4.045 3.962 4.165 . 0 0 "[ . 1 . ]" 1 391 1 23 ASN HA 1 26 VAL MG2 4.080 . 4.580 2.931 2.903 2.974 . 0 0 "[ . 1 . ]" 1 392 1 23 ASN HA 1 27 VAL H 4.200 . 4.700 4.209 4.061 4.311 . 0 0 "[ . 1 . ]" 1 393 1 23 ASN HA 1 27 VAL MG2 5.240 . 5.740 4.143 4.051 4.207 . 0 0 "[ . 1 . ]" 1 394 1 23 ASN HB2 1 24 LEU H 4.000 . 4.500 4.016 4.002 4.053 . 0 0 "[ . 1 . ]" 1 395 1 23 ASN HB3 1 24 LEU H 4.230 . 4.730 2.766 2.734 2.830 . 0 0 "[ . 1 . ]" 1 396 1 23 ASN HB3 1 26 VAL MG2 6.460 . 6.960 5.451 5.430 5.479 . 0 0 "[ . 1 . ]" 1 397 1 23 ASN HD21 1 24 LEU QB 5.250 . 5.750 4.469 4.382 4.505 . 0 0 "[ . 1 . ]" 1 398 1 23 ASN HD22 1 27 VAL MG2 6.080 . 6.580 2.964 2.735 3.184 . 0 0 "[ . 1 . ]" 1 399 1 24 LEU H 1 24 LEU QB 3.290 . 3.790 2.209 2.078 2.266 . 0 0 "[ . 1 . ]" 1 400 1 24 LEU H 1 24 LEU MD1 4.770 . 5.270 3.587 2.382 3.864 . 0 0 "[ . 1 . ]" 1 401 1 24 LEU H 1 24 LEU MD2 4.840 . 5.340 2.498 2.284 3.419 . 0 0 "[ . 1 . ]" 1 402 1 24 LEU H 1 25 LEU H 2.980 . 3.480 2.502 2.438 2.535 . 0 0 "[ . 1 . ]" 1 403 1 24 LEU HA 1 24 LEU HG 4.170 . 4.670 3.532 2.694 3.705 . 0 0 "[ . 1 . ]" 1 404 1 24 LEU HA 1 24 LEU MD1 3.420 . 3.920 1.996 1.955 2.131 . 0 0 "[ . 1 . ]" 1 405 1 24 LEU HA 1 27 VAL HB 3.500 . 4.000 2.643 2.478 2.984 . 0 0 "[ . 1 . ]" 1 406 1 24 LEU HA 1 27 VAL MG2 4.670 . 5.170 3.256 3.075 3.613 . 0 0 "[ . 1 . ]" 1 407 1 24 LEU QB 1 25 LEU H 3.880 . 4.380 2.918 2.838 3.017 . 0 0 "[ . 1 . ]" 1 408 1 24 LEU MD2 1 25 LEU H 5.580 . 6.080 4.306 4.198 4.726 . 0 0 "[ . 1 . ]" 1 409 1 25 LEU H 1 25 LEU HB2 3.360 . 3.860 2.456 2.408 2.505 . 0 0 "[ . 1 . ]" 1 410 1 25 LEU H 1 25 LEU HB3 3.830 . 4.330 2.427 2.407 2.449 . 0 0 "[ . 1 . ]" 1 411 1 25 LEU H 1 25 LEU HG 4.380 . 4.880 4.434 4.420 4.447 . 0 0 "[ . 1 . ]" 1 412 1 25 LEU H 1 25 LEU MD2 4.920 . 5.420 4.138 4.118 4.155 . 0 0 "[ . 1 . ]" 1 413 1 25 LEU H 1 26 VAL H 3.260 . 3.760 2.490 2.445 2.557 . 0 0 "[ . 1 . ]" 1 414 1 25 LEU H 1 26 VAL MG2 5.320 . 5.820 4.114 4.032 4.176 . 0 0 "[ . 1 . ]" 1 415 1 25 LEU H 1 27 VAL H 4.450 . 4.950 4.124 4.071 4.242 . 0 0 "[ . 1 . ]" 1 416 1 25 LEU HA 1 25 LEU HG 3.510 . 4.010 3.117 3.073 3.148 . 0 0 "[ . 1 . ]" 1 417 1 25 LEU HA 1 25 LEU MD1 3.820 . 4.320 2.057 2.029 2.082 . 0 0 "[ . 1 . ]" 1 418 1 25 LEU HA 1 28 ARG HB2 3.990 . 4.490 2.948 2.781 3.073 . 0 0 "[ . 1 . ]" 1 419 1 25 LEU HA 1 28 ARG HB3 4.300 . 4.800 3.075 2.582 4.375 . 0 0 "[ . 1 . ]" 1 420 1 25 LEU HA 1 28 ARG HG3 5.040 . 5.540 4.713 3.389 5.180 . 0 0 "[ . 1 . ]" 1 421 1 25 LEU HB2 1 26 VAL H 4.270 . 4.770 3.996 3.970 4.019 . 0 0 "[ . 1 . ]" 1 422 1 25 LEU HB3 1 26 VAL H 3.760 . 4.260 2.850 2.811 2.907 . 0 0 "[ . 1 . ]" 1 423 1 25 LEU HB3 1 26 VAL MG2 5.810 . 6.310 3.437 3.372 3.467 . 0 0 "[ . 1 . ]" 1 424 1 25 LEU HG 1 26 VAL H 4.800 . 5.300 4.158 4.080 4.213 . 0 0 "[ . 1 . ]" 1 425 1 25 LEU MD1 1 28 ARG HD3 5.490 . 5.990 3.320 2.156 4.084 . 0 0 "[ . 1 . ]" 1 426 1 25 LEU MD1 1 29 TYR QD 4.680 . 5.180 2.835 2.681 2.980 . 0 0 "[ . 1 . ]" 1 427 1 25 LEU MD1 1 29 TYR QE 4.070 . 4.570 2.105 2.032 2.319 . 0 0 "[ . 1 . ]" 1 428 1 25 LEU MD1 1 70 PHE HZ 5.320 . 5.820 4.065 3.930 4.239 . 0 0 "[ . 1 . ]" 1 429 1 25 LEU MD1 1 70 PHE QD 5.000 . 5.500 2.822 2.608 3.096 . 0 0 "[ . 1 . ]" 1 430 1 25 LEU MD1 1 70 PHE QE 4.870 . 5.370 2.560 2.286 2.789 . 0 0 "[ . 1 . ]" 1 431 1 25 LEU MD2 1 26 VAL MG2 6.890 . 7.390 4.272 4.204 4.356 . 0 0 "[ . 1 . ]" 1 432 1 25 LEU MD2 1 70 PHE HZ 4.490 . 4.990 2.603 2.441 2.752 . 0 0 "[ . 1 . ]" 1 433 1 26 VAL H 1 26 VAL HB 3.230 . 3.730 2.355 2.321 2.393 . 0 0 "[ . 1 . ]" 1 434 1 26 VAL H 1 26 VAL MG2 3.580 . 4.080 2.354 2.308 2.396 . 0 0 "[ . 1 . ]" 1 435 1 26 VAL H 1 27 VAL H 3.390 . 3.890 2.605 2.558 2.679 . 0 0 "[ . 1 . ]" 1 436 1 26 VAL H 1 27 VAL MG2 5.370 . 5.870 4.181 4.133 4.220 . 0 0 "[ . 1 . ]" 1 437 1 26 VAL HA 1 26 VAL MG1 3.460 . 3.960 2.471 2.438 2.502 . 0 0 "[ . 1 . ]" 1 438 1 26 VAL HA 1 29 TYR H 4.550 . 5.050 3.493 3.415 3.683 . 0 0 "[ . 1 . ]" 1 439 1 26 VAL HA 1 30 GLN H 4.490 . 4.990 4.275 4.154 4.507 . 0 0 "[ . 1 . ]" 1 440 1 26 VAL HA 1 54 PHE HZ 4.520 . 5.020 3.513 3.424 3.606 . 0 0 "[ . 1 . ]" 1 441 1 26 VAL HA 1 54 PHE QD 4.320 . 4.820 3.671 3.427 3.842 . 0 0 "[ . 1 . ]" 1 442 1 26 VAL HA 1 54 PHE QE 4.210 . 4.710 3.051 2.870 3.214 . 0 0 "[ . 1 . ]" 1 443 1 26 VAL HB 1 27 VAL H 3.230 . 3.730 2.605 2.539 2.724 . 0 0 "[ . 1 . ]" 1 444 1 26 VAL HB 1 27 VAL HA 4.540 . 5.040 4.448 4.403 4.484 . 0 0 "[ . 1 . ]" 1 445 1 26 VAL HB 1 27 VAL MG2 4.910 . 5.410 3.225 3.103 3.297 . 0 0 "[ . 1 . ]" 1 446 1 26 VAL HB 1 28 ARG H 4.840 . 5.340 4.812 4.758 4.910 . 0 0 "[ . 1 . ]" 1 447 1 26 VAL MG1 1 27 VAL H 4.460 . 4.960 3.263 3.124 3.371 . 0 0 "[ . 1 . ]" 1 448 1 26 VAL MG1 1 27 VAL HA 4.860 . 5.360 3.280 3.151 3.343 . 0 0 "[ . 1 . ]" 1 449 1 26 VAL MG1 1 27 VAL MG1 7.180 . 7.680 4.823 4.610 4.895 . 0 0 "[ . 1 . ]" 1 450 1 26 VAL MG1 1 27 VAL MG2 5.990 . 6.490 3.229 2.973 3.337 . 0 0 "[ . 1 . ]" 1 451 1 26 VAL MG1 1 30 GLN HA 5.700 . 6.200 3.878 3.735 3.976 . 0 0 "[ . 1 . ]" 1 452 1 26 VAL MG1 1 30 GLN HB2 5.010 . 5.510 3.570 2.744 3.827 . 0 0 "[ . 1 . ]" 1 453 1 26 VAL MG1 1 30 GLN HB3 5.010 . 5.510 2.822 2.454 4.218 . 0 0 "[ . 1 . ]" 1 454 1 26 VAL MG1 1 30 GLN HE22 6.470 . 6.970 4.743 3.428 5.126 . 0 0 "[ . 1 . ]" 1 455 1 26 VAL MG1 1 30 GLN QG 6.480 . 6.980 3.948 3.703 4.040 . 0 0 "[ . 1 . ]" 1 456 1 26 VAL MG1 1 54 PHE HB2 5.450 . 5.950 3.808 3.594 4.092 . 0 0 "[ . 1 . ]" 1 457 1 26 VAL MG1 1 54 PHE HZ 6.340 . 6.840 3.721 3.556 3.830 . 0 0 "[ . 1 . ]" 1 458 1 26 VAL MG1 1 54 PHE QE 6.160 . 6.660 2.972 2.864 3.063 . 0 0 "[ . 1 . ]" 1 459 1 26 VAL MG2 1 27 VAL H 5.010 . 5.510 3.966 3.925 4.019 . 0 0 "[ . 1 . ]" 1 460 1 26 VAL MG2 1 54 PHE HB2 5.000 . 5.500 3.462 3.267 3.656 . 0 0 "[ . 1 . ]" 1 461 1 26 VAL MG2 1 54 PHE HB3 5.870 . 6.370 2.435 2.294 2.660 . 0 0 "[ . 1 . ]" 1 462 1 26 VAL MG2 1 54 PHE QD 5.220 . 5.720 2.862 2.759 2.975 . 0 0 "[ . 1 . ]" 1 463 1 26 VAL MG2 1 54 PHE QE 5.470 . 5.970 3.682 3.582 3.791 . 0 0 "[ . 1 . ]" 1 464 1 26 VAL QG 1 54 PHE HZ 5.350 . 5.850 3.571 3.421 3.656 . 0 0 "[ . 1 . ]" 1 465 1 26 VAL QG 1 54 PHE QD 4.270 . 4.770 2.574 2.510 2.674 . 0 0 "[ . 1 . ]" 1 466 1 26 VAL QG 1 54 PHE QE 4.630 . 5.130 2.853 2.767 2.929 . 0 0 "[ . 1 . ]" 1 467 1 27 VAL H 1 27 VAL HB 3.130 . 3.630 2.366 2.335 2.406 . 0 0 "[ . 1 . ]" 1 468 1 27 VAL H 1 27 VAL MG1 4.530 . 5.030 3.739 3.727 3.751 . 0 0 "[ . 1 . ]" 1 469 1 27 VAL H 1 27 VAL MG2 3.640 . 4.140 2.214 2.154 2.266 . 0 0 "[ . 1 . ]" 1 470 1 27 VAL H 1 28 ARG H 4.300 . 4.800 2.635 2.603 2.680 . 0 0 "[ . 1 . ]" 1 471 1 27 VAL HA 1 29 TYR H 4.630 . 5.130 4.213 4.050 4.303 . 0 0 "[ . 1 . ]" 1 472 1 27 VAL HA 1 30 GLN H 4.170 . 4.670 3.369 3.037 3.453 . 0 0 "[ . 1 . ]" 1 473 1 27 VAL HA 1 30 GLN HB2 4.410 . 4.910 4.117 2.396 4.554 . 0 0 "[ . 1 . ]" 1 474 1 27 VAL HA 1 30 GLN HB3 3.930 . 4.430 3.126 2.604 3.319 . 0 0 "[ . 1 . ]" 1 475 1 27 VAL HA 1 30 GLN HE22 4.420 . 4.920 3.442 3.124 4.260 . 0 0 "[ . 1 . ]" 1 476 1 27 VAL HA 1 30 GLN HE21 4.530 . 5.030 3.172 2.005 3.937 . 0 0 "[ . 1 . ]" 1 477 1 27 VAL HA 1 30 GLN QG 4.670 . 5.170 2.744 2.329 4.219 . 0 0 "[ . 1 . ]" 1 478 1 27 VAL HB 1 28 ARG H 4.840 . 5.340 3.103 3.083 3.132 . 0 0 "[ . 1 . ]" 1 479 1 27 VAL HB 1 28 ARG HA 4.500 . 5.000 4.549 4.505 4.599 . 0 0 "[ . 1 . ]" 1 480 1 27 VAL MG1 1 28 ARG H 5.430 . 5.930 3.723 3.687 3.782 . 0 0 "[ . 1 . ]" 1 481 1 27 VAL MG1 1 28 ARG HA 5.140 . 5.640 3.601 3.556 3.709 . 0 0 "[ . 1 . ]" 1 482 1 27 VAL MG1 1 30 GLN HE22 6.230 . 6.730 3.115 2.662 4.729 . 0 0 "[ . 1 . ]" 1 483 1 27 VAL MG1 1 30 GLN HE21 6.170 . 6.670 3.087 2.467 5.146 . 0 0 "[ . 1 . ]" 1 484 1 27 VAL MG2 1 28 ARG H 5.380 . 5.880 4.110 4.070 4.147 . 0 0 "[ . 1 . ]" 1 485 1 27 VAL MG2 1 30 GLN HB3 5.800 . 6.300 4.425 4.122 4.530 . 0 0 "[ . 1 . ]" 1 486 1 27 VAL MG2 1 30 GLN HE22 6.530 . 7.030 2.992 2.634 3.385 . 0 0 "[ . 1 . ]" 1 487 1 27 VAL MG2 1 30 GLN HE21 6.450 . 6.950 3.698 2.720 3.890 . 0 0 "[ . 1 . ]" 1 488 1 28 ARG H 1 28 ARG HB2 3.830 . 4.330 2.417 2.287 2.501 . 0 0 "[ . 1 . ]" 1 489 1 28 ARG H 1 28 ARG HG2 4.610 . 5.110 4.291 3.779 4.491 . 0 0 "[ . 1 . ]" 1 490 1 28 ARG H 1 29 TYR H 3.590 . 4.090 2.571 2.550 2.608 . 0 0 "[ . 1 . ]" 1 491 1 28 ARG HA 1 28 ARG HD3 4.750 . 5.250 4.643 4.315 4.806 . 0 0 "[ . 1 . ]" 1 492 1 28 ARG HA 1 28 ARG HG2 3.760 . 4.260 2.953 2.431 3.171 . 0 0 "[ . 1 . ]" 1 493 1 28 ARG HB2 1 29 TYR H 4.080 . 4.580 3.747 2.954 4.058 . 0 0 "[ . 1 . ]" 1 494 1 28 ARG HB2 1 30 GLN H 5.600 . 6.100 5.602 5.120 5.789 . 0 0 "[ . 1 . ]" 1 495 1 28 ARG HB3 1 29 TYR H 3.850 . 4.350 2.997 2.659 3.775 . 0 0 "[ . 1 . ]" 1 496 1 28 ARG HD2 1 29 TYR H 5.350 . 5.850 5.365 5.105 5.562 . 0 0 "[ . 1 . ]" 1 497 1 28 ARG HD2 1 29 TYR QE 4.430 . 4.930 3.605 2.693 4.051 . 0 0 "[ . 1 . ]" 1 498 1 28 ARG HD3 1 29 TYR QE 5.330 . 5.830 3.405 2.294 4.381 . 0 0 "[ . 1 . ]" 1 499 1 29 TYR H 1 29 TYR HB2 3.750 . 4.250 2.496 2.463 2.562 . 0 0 "[ . 1 . ]" 1 500 1 29 TYR H 1 29 TYR HB3 3.640 . 4.140 3.700 3.680 3.734 . 0 0 "[ . 1 . ]" 1 501 1 29 TYR H 1 29 TYR QD 4.190 . 4.690 3.237 3.152 3.341 . 0 0 "[ . 1 . ]" 1 502 1 29 TYR H 1 30 GLN H 3.200 . 3.700 2.304 2.240 2.359 . 0 0 "[ . 1 . ]" 1 503 1 29 TYR H 1 30 GLN HB3 4.680 . 5.180 4.387 4.292 4.615 . 0 0 "[ . 1 . ]" 1 504 1 29 TYR H 1 54 PHE HZ 4.170 . 4.670 3.650 3.580 3.722 . 0 0 "[ . 1 . ]" 1 505 1 29 TYR H 1 54 PHE QE 5.570 . 6.070 4.136 4.054 4.239 . 0 0 "[ . 1 . ]" 1 506 1 29 TYR HA 1 29 TYR QD 3.140 . 3.640 2.419 2.333 2.485 . 0 0 "[ . 1 . ]" 1 507 1 29 TYR HA 1 29 TYR QE 5.190 . 5.690 4.396 4.360 4.429 . 0 0 "[ . 1 . ]" 1 508 1 29 TYR HA 1 32 LYS H 4.640 . 5.140 3.113 3.050 3.167 . 0 0 "[ . 1 . ]" 1 509 1 29 TYR HA 1 32 LYS HB3 4.050 . 4.550 2.754 2.414 2.988 . 0 0 "[ . 1 . ]" 1 510 1 29 TYR HA 1 32 LYS HD2 4.330 . 4.830 4.136 3.498 4.410 . 0 0 "[ . 1 . ]" 1 511 1 29 TYR HA 1 32 LYS HD3 4.400 . 4.900 4.161 4.047 4.408 . 0 0 "[ . 1 . ]" 1 512 1 29 TYR HB2 1 33 VAL MG1 5.020 . 5.520 4.211 4.189 4.255 . 0 0 "[ . 1 . ]" 1 513 1 29 TYR HB2 1 54 PHE HZ 3.520 . 4.020 2.466 2.351 2.522 . 0 0 "[ . 1 . ]" 1 514 1 29 TYR HB2 1 54 PHE QE 5.310 . 5.810 2.448 2.405 2.501 . 0 0 "[ . 1 . ]" 1 515 1 29 TYR HB2 1 71 TYR QE 6.010 . 6.510 5.053 4.191 5.581 . 0 0 "[ . 1 . ]" 1 516 1 29 TYR HB2 1 74 LEU MD1 5.100 . 5.600 2.741 2.576 2.826 . 0 0 "[ . 1 . ]" 1 517 1 29 TYR HB3 1 30 GLN H 4.270 . 4.770 4.318 4.284 4.369 . 0 0 "[ . 1 . ]" 1 518 1 29 TYR HB3 1 33 VAL MG1 5.270 . 5.770 3.774 3.709 3.863 . 0 0 "[ . 1 . ]" 1 519 1 29 TYR HB3 1 54 PHE HZ 3.180 . 3.680 3.009 2.908 3.070 . 0 0 "[ . 1 . ]" 1 520 1 29 TYR HB3 1 54 PHE QE 3.820 . 4.320 3.507 3.459 3.552 . 0 0 "[ . 1 . ]" 1 521 1 29 TYR HB3 1 74 LEU MD1 5.580 . 6.080 2.680 2.467 2.879 . 0 0 "[ . 1 . ]" 1 522 1 29 TYR QD 1 32 LYS H 5.530 . 6.030 4.542 4.474 4.651 . 0 0 "[ . 1 . ]" 1 523 1 29 TYR QD 1 32 LYS HB2 4.240 . 4.740 3.492 3.307 3.612 . 0 0 "[ . 1 . ]" 1 524 1 29 TYR QD 1 32 LYS HB3 4.010 . 4.510 2.703 2.628 2.801 . 0 0 "[ . 1 . ]" 1 525 1 29 TYR QD 1 32 LYS HD2 3.580 . 4.080 2.939 2.129 3.253 . 0 0 "[ . 1 . ]" 1 526 1 29 TYR QD 1 32 LYS HD3 3.930 . 4.430 2.732 2.268 3.684 . 0 0 "[ . 1 . ]" 1 527 1 29 TYR QD 1 32 LYS QE 5.480 . 5.980 4.100 3.835 4.373 . 0 0 "[ . 1 . ]" 1 528 1 29 TYR QD 1 54 PHE HZ 4.880 . 5.380 4.402 4.322 4.444 . 0 0 "[ . 1 . ]" 1 529 1 29 TYR QD 1 54 PHE QE 4.280 . 4.780 3.410 3.330 3.491 . 0 0 "[ . 1 . ]" 1 530 1 29 TYR QD 1 71 TYR QD 4.090 . 4.590 2.948 2.723 3.340 . 0 0 "[ . 1 . ]" 1 531 1 29 TYR QD 1 71 TYR QE 4.510 . 5.010 2.813 2.334 3.101 . 0 0 "[ . 1 . ]" 1 532 1 29 TYR QD 1 74 LEU MD1 4.560 . 5.060 2.726 2.500 2.846 . 0 0 "[ . 1 . ]" 1 533 1 29 TYR QE 1 32 LYS QE 6.000 . 6.500 4.206 3.688 4.877 . 0 0 "[ . 1 . ]" 1 534 1 29 TYR QE 1 71 TYR QD 3.820 . 4.320 2.791 2.311 3.057 . 0 0 "[ . 1 . ]" 1 535 1 29 TYR QE 1 71 TYR QE 5.460 . 5.960 3.931 2.736 4.395 . 0 0 "[ . 1 . ]" 1 536 1 29 TYR QE 1 74 LEU MD1 4.850 . 5.350 3.503 3.236 3.634 . 0 0 "[ . 1 . ]" 1 537 1 30 GLN H 1 30 GLN HB2 3.580 . 4.080 3.423 2.492 3.615 . 0 0 "[ . 1 . ]" 1 538 1 30 GLN H 1 30 GLN HB3 3.450 . 3.950 2.546 2.429 2.602 . 0 0 "[ . 1 . ]" 1 539 1 30 GLN H 1 30 GLN QG 4.330 . 4.830 2.348 1.994 3.928 . 0 0 "[ . 1 . ]" 1 540 1 30 GLN H 1 32 LYS H 4.850 . 5.350 4.128 4.028 4.188 . 0 0 "[ . 1 . ]" 1 541 1 30 GLN H 1 54 PHE HZ 3.840 . 4.340 3.395 3.286 3.515 . 0 0 "[ . 1 . ]" 1 542 1 30 GLN H 1 54 PHE QE 5.420 . 5.920 4.166 4.122 4.221 . 0 0 "[ . 1 . ]" 1 543 1 30 GLN HA 1 32 LYS H 4.720 . 5.220 4.284 4.221 4.336 . 0 0 "[ . 1 . ]" 1 544 1 30 GLN HA 1 33 VAL H 4.280 . 4.780 3.736 3.650 3.823 . 0 0 "[ . 1 . ]" 1 545 1 30 GLN HA 1 33 VAL HB 4.300 . 4.800 4.290 4.233 4.360 . 0 0 "[ . 1 . ]" 1 546 1 30 GLN HA 1 33 VAL MG1 5.000 . 5.500 2.186 2.082 2.298 . 0 0 "[ . 1 . ]" 1 547 1 30 GLN HA 1 34 ALA H 4.550 . 5.050 4.122 4.037 4.251 . 0 0 "[ . 1 . ]" 1 548 1 30 GLN HA 1 50 VAL MG1 5.070 . 5.570 3.097 2.971 3.232 . 0 0 "[ . 1 . ]" 1 549 1 30 GLN HA 1 54 PHE HZ 3.100 . 3.600 2.568 2.458 2.799 . 0 0 "[ . 1 . ]" 1 550 1 30 GLN HA 1 54 PHE QD 5.290 . 5.790 4.518 4.454 4.561 . 0 0 "[ . 1 . ]" 1 551 1 30 GLN HA 1 54 PHE QE 3.120 . 3.620 2.167 2.113 2.206 . 0 0 "[ . 1 . ]" 1 552 1 30 GLN HB2 1 50 VAL MG1 5.910 . 6.410 3.674 3.391 4.369 . 0 0 "[ . 1 . ]" 1 553 1 30 GLN HB2 1 54 PHE QE 4.250 . 4.750 3.532 3.418 3.697 . 0 0 "[ . 1 . ]" 1 554 1 30 GLN HB3 1 54 PHE QE 5.300 . 5.800 3.460 3.106 4.738 . 0 0 "[ . 1 . ]" 1 555 1 30 GLN QG 1 31 HIS H 5.280 . 5.780 2.574 2.311 3.590 . 0 0 "[ . 1 . ]" 1 556 1 30 GLN QG 1 32 LYS H 5.520 . 6.020 4.470 4.298 5.031 . 0 0 "[ . 1 . ]" 1 557 1 31 HIS HA 1 34 ALA H 4.090 . 4.590 3.522 3.468 3.598 . 0 0 "[ . 1 . ]" 1 558 1 31 HIS HA 1 34 ALA MB 4.070 . 4.570 2.642 2.575 2.767 . 0 0 "[ . 1 . ]" 1 559 1 31 HIS HA 1 35 SER H 4.860 . 5.360 4.439 4.384 4.544 . 0 0 "[ . 1 . ]" 1 560 1 31 HIS QB 1 32 LYS H 4.090 . 4.590 3.117 2.821 3.654 . 0 0 "[ . 1 . ]" 1 561 1 32 LYS H 1 32 LYS HB2 3.800 . 4.300 2.509 2.353 2.802 . 0 0 "[ . 1 . ]" 1 562 1 32 LYS H 1 32 LYS HB3 3.390 . 3.890 2.473 2.102 2.699 . 0 0 "[ . 1 . ]" 1 563 1 32 LYS H 1 32 LYS HG2 4.460 . 4.960 4.458 4.351 4.515 . 0 0 "[ . 1 . ]" 1 564 1 32 LYS H 1 32 LYS HG3 4.460 . 4.960 4.420 4.331 4.561 . 0 0 "[ . 1 . ]" 1 565 1 32 LYS H 1 33 VAL H 3.320 . 3.820 2.433 2.357 2.578 . 0 0 "[ . 1 . ]" 1 566 1 32 LYS H 1 33 VAL MG1 5.780 . 6.280 3.770 3.705 3.809 . 0 0 "[ . 1 . ]" 1 567 1 32 LYS HA 1 32 LYS HD2 4.850 . 5.350 4.462 4.303 4.808 . 0 0 "[ . 1 . ]" 1 568 1 32 LYS HA 1 32 LYS HG2 3.870 . 4.370 2.822 2.667 2.939 . 0 0 "[ . 1 . ]" 1 569 1 32 LYS HA 1 32 LYS HG3 3.480 . 3.980 2.746 2.404 3.576 . 0 0 "[ . 1 . ]" 1 570 1 32 LYS HA 1 34 ALA H 4.810 . 5.310 4.352 4.199 4.501 . 0 0 "[ . 1 . ]" 1 571 1 32 LYS HA 1 35 SER HB2 3.310 . 3.810 3.128 2.994 3.352 . 0 0 "[ . 1 . ]" 1 572 1 32 LYS HA 1 36 LEU H 4.710 . 5.210 4.790 4.757 4.832 . 0 0 "[ . 1 . ]" 1 573 1 32 LYS HB2 1 32 LYS HD2 3.990 . 4.490 2.754 2.447 3.510 . 0 0 "[ . 1 . ]" 1 574 1 32 LYS HB2 1 32 LYS HD3 3.920 . 4.420 3.234 3.030 3.676 . 0 0 "[ . 1 . ]" 1 575 1 32 LYS HB2 1 32 LYS QE 4.770 . 5.270 4.187 3.931 4.472 . 0 0 "[ . 1 . ]" 1 576 1 32 LYS HB2 1 33 VAL H 3.790 . 4.290 3.871 3.796 3.997 . 0 0 "[ . 1 . ]" 1 577 1 32 LYS HB2 1 71 TYR QE 4.940 . 5.440 4.281 3.745 4.462 . 0 0 "[ . 1 . ]" 1 578 1 32 LYS HB3 1 32 LYS HD2 4.090 . 4.590 2.865 2.452 3.033 . 0 0 "[ . 1 . ]" 1 579 1 32 LYS HB3 1 32 LYS HD3 4.140 . 4.640 2.461 2.419 2.555 . 0 0 "[ . 1 . ]" 1 580 1 32 LYS HB3 1 33 VAL H 3.530 . 4.030 2.737 2.622 2.845 . 0 0 "[ . 1 . ]" 1 581 1 32 LYS HB3 1 71 TYR QE 4.480 . 4.980 3.129 2.836 3.816 . 0 0 "[ . 1 . ]" 1 582 1 32 LYS HD3 1 71 TYR QE 4.180 . 4.680 2.986 2.465 3.711 . 0 0 "[ . 1 . ]" 1 583 1 32 LYS QE 1 71 TYR QD 5.000 . 5.500 3.567 3.248 4.058 . 0 0 "[ . 1 . ]" 1 584 1 33 VAL H 1 33 VAL HB 3.170 . 3.670 2.495 2.459 2.514 . 0 0 "[ . 1 . ]" 1 585 1 33 VAL H 1 33 VAL MG1 3.920 . 4.420 2.121 2.000 2.175 . 0 0 "[ . 1 . ]" 1 586 1 33 VAL H 1 34 ALA H 3.360 . 3.860 2.483 2.412 2.604 . 0 0 "[ . 1 . ]" 1 587 1 33 VAL H 1 34 ALA MB 5.550 . 6.050 4.154 4.081 4.264 . 0 0 "[ . 1 . ]" 1 588 1 33 VAL H 1 71 TYR QE 6.230 . 6.730 4.564 3.915 5.706 . 0 0 "[ . 1 . ]" 1 589 1 33 VAL HA 1 36 LEU H 3.750 . 4.250 3.061 3.008 3.112 . 0 0 "[ . 1 . ]" 1 590 1 33 VAL HA 1 36 LEU HB2 3.410 . 3.910 3.292 3.226 3.353 . 0 0 "[ . 1 . ]" 1 591 1 33 VAL HA 1 36 LEU HB3 3.940 . 4.440 2.446 2.306 2.521 . 0 0 "[ . 1 . ]" 1 592 1 33 VAL HA 1 36 LEU MD2 5.220 . 5.720 3.278 3.122 3.373 . 0 0 "[ . 1 . ]" 1 593 1 33 VAL HA 1 78 ALA MB 4.970 . 5.470 3.719 3.512 3.858 . 0 0 "[ . 1 . ]" 1 594 1 33 VAL HB 1 34 ALA H 3.980 . 4.480 4.013 3.991 4.060 . 0 0 "[ . 1 . ]" 1 595 1 33 VAL HB 1 34 ALA MB 6.390 . 6.890 5.387 5.359 5.420 . 0 0 "[ . 1 . ]" 1 596 1 33 VAL HB 1 50 VAL MG1 5.040 . 5.540 4.244 4.211 4.265 . 0 0 "[ . 1 . ]" 1 597 1 33 VAL HB 1 53 ALA MB 6.110 . 6.610 4.893 4.435 5.065 . 0 0 "[ . 1 . ]" 1 598 1 33 VAL HB 1 54 PHE HZ 4.610 . 5.110 3.409 3.344 3.487 . 0 0 "[ . 1 . ]" 1 599 1 33 VAL HB 1 54 PHE QE 4.470 . 4.970 4.056 3.990 4.100 . 0 0 "[ . 1 . ]" 1 600 1 33 VAL HB 1 78 ALA MB 6.060 . 6.560 3.962 3.715 4.095 . 0 0 "[ . 1 . ]" 1 601 1 33 VAL MG1 1 34 ALA H 4.770 . 5.270 2.317 2.267 2.372 . 0 0 "[ . 1 . ]" 1 602 1 33 VAL MG1 1 36 LEU MD2 7.280 . 7.780 5.064 4.992 5.141 . 0 0 "[ . 1 . ]" 1 603 1 33 VAL MG1 1 54 PHE HZ 3.760 . 4.260 2.501 2.464 2.582 . 0 0 "[ . 1 . ]" 1 604 1 33 VAL MG1 1 54 PHE QE 4.210 . 4.710 2.251 2.109 2.333 . 0 0 "[ . 1 . ]" 1 605 1 33 VAL MG1 1 71 TYR QE 8.550 . 9.050 5.309 4.560 6.469 . 0 0 "[ . 1 . ]" 1 606 1 33 VAL MG1 1 74 LEU MD2 6.130 . 6.630 3.761 3.573 4.119 . 0 0 "[ . 1 . ]" 1 607 1 33 VAL MG2 1 34 ALA H 5.580 . 6.080 3.936 3.828 3.993 . 0 0 "[ . 1 . ]" 1 608 1 33 VAL MG2 1 34 ALA HA 5.260 . 5.760 4.018 3.843 4.116 . 0 0 "[ . 1 . ]" 1 609 1 33 VAL MG2 1 34 ALA MB 6.870 . 7.370 4.592 4.446 4.678 . 0 0 "[ . 1 . ]" 1 610 1 33 VAL MG2 1 36 LEU MD2 6.260 . 6.760 2.845 2.724 3.010 . 0 0 "[ . 1 . ]" 1 611 1 33 VAL MG2 1 37 VAL H 4.820 . 5.320 3.727 3.646 3.828 . 0 0 "[ . 1 . ]" 1 612 1 33 VAL MG2 1 37 VAL MG1 4.760 . 5.260 2.337 2.206 2.449 . 0 0 "[ . 1 . ]" 1 613 1 33 VAL MG2 1 50 VAL HA 4.100 . 4.600 3.308 2.921 3.444 . 0 0 "[ . 1 . ]" 1 614 1 33 VAL MG2 1 54 PHE HZ 5.760 . 6.260 4.115 4.059 4.186 . 0 0 "[ . 1 . ]" 1 615 1 33 VAL MG2 1 54 PHE QE 5.990 . 6.490 3.952 3.871 4.001 . 0 0 "[ . 1 . ]" 1 616 1 33 VAL MG2 1 74 LEU MD2 7.230 . 7.730 2.666 2.380 3.292 . 0 0 "[ . 1 . ]" 1 617 1 33 VAL MG2 1 78 ALA HA 5.390 . 5.890 3.634 3.417 3.787 . 0 0 "[ . 1 . ]" 1 618 1 33 VAL MG2 1 78 ALA MB 4.980 . 5.480 1.942 1.872 2.001 . 0 0 "[ . 1 . ]" 1 619 1 34 ALA H 1 35 SER H 3.420 . 3.920 2.582 2.543 2.627 . 0 0 "[ . 1 . ]" 1 620 1 34 ALA H 1 35 SER HB2 4.880 . 5.380 4.778 4.718 4.817 . 0 0 "[ . 1 . ]" 1 621 1 34 ALA H 1 36 LEU H 4.760 . 5.260 3.927 3.895 3.956 . 0 0 "[ . 1 . ]" 1 622 1 34 ALA HA 1 35 SER HA 4.730 . 5.230 4.744 4.725 4.769 . 0 0 "[ . 1 . ]" 1 623 1 34 ALA HA 1 37 VAL H 4.640 . 5.140 3.412 3.346 3.469 . 0 0 "[ . 1 . ]" 1 624 1 34 ALA HA 1 37 VAL HB 5.150 . 5.650 5.219 5.186 5.254 . 0 0 "[ . 1 . ]" 1 625 1 34 ALA HA 1 37 VAL MG1 4.560 . 5.060 3.793 3.746 3.840 . 0 0 "[ . 1 . ]" 1 626 1 34 ALA HA 1 37 VAL MG2 6.020 . 6.520 2.157 2.121 2.190 . 0 0 "[ . 1 . ]" 1 627 1 34 ALA HA 1 46 VAL MG1 3.960 . 4.460 2.520 2.453 2.627 . 0 0 "[ . 1 . ]" 1 628 1 34 ALA HA 1 50 VAL HB 4.670 . 5.170 4.677 4.603 4.712 . 0 0 "[ . 1 . ]" 1 629 1 34 ALA HA 1 50 VAL MG2 3.720 . 4.220 2.090 2.030 2.118 . 0 0 "[ . 1 . ]" 1 630 1 34 ALA MB 1 35 SER H 4.160 . 4.660 2.803 2.701 2.850 . 0 0 "[ . 1 . ]" 1 631 1 34 ALA MB 1 35 SER HA 5.270 . 5.770 4.012 3.963 4.039 . 0 0 "[ . 1 . ]" 1 632 1 34 ALA MB 1 35 SER HB2 6.030 . 6.530 4.668 4.096 4.754 . 0 0 "[ . 1 . ]" 1 633 1 34 ALA MB 1 38 SER H 6.390 . 6.890 4.733 4.658 4.793 . 0 0 "[ . 1 . ]" 1 634 1 34 ALA MB 1 46 VAL MG1 4.800 . 5.300 2.304 2.210 2.467 . 0 0 "[ . 1 . ]" 1 635 1 34 ALA MB 1 50 VAL HB 5.570 . 6.070 4.221 4.162 4.300 . 0 0 "[ . 1 . ]" 1 636 1 34 ALA MB 1 50 VAL MG1 5.740 . 6.240 3.077 3.023 3.119 . 0 0 "[ . 1 . ]" 1 637 1 34 ALA MB 1 50 VAL MG2 4.800 . 5.300 2.268 2.210 2.331 . 0 0 "[ . 1 . ]" 1 638 1 35 SER H 1 35 SER HB2 3.200 . 3.700 2.416 2.379 2.446 . 0 0 "[ . 1 . ]" 1 639 1 35 SER H 1 35 SER HB3 3.580 . 4.080 3.539 2.548 3.606 . 0 0 "[ . 1 . ]" 1 640 1 35 SER H 1 36 LEU H 3.350 . 3.850 2.436 2.393 2.538 . 0 0 "[ . 1 . ]" 1 641 1 35 SER H 1 38 SER H 4.700 . 5.200 4.805 4.776 4.847 . 0 0 "[ . 1 . ]" 1 642 1 35 SER HA 1 35 SER HB2 2.990 . 3.490 3.012 2.538 3.045 . 0 0 "[ . 1 . ]" 1 643 1 35 SER HB2 1 36 LEU H 3.770 . 4.270 3.141 3.068 3.942 . 0 0 "[ . 1 . ]" 1 644 1 36 LEU H 1 36 LEU HB2 3.250 . 3.750 2.735 2.704 2.762 . 0 0 "[ . 1 . ]" 1 645 1 36 LEU H 1 36 LEU HB3 3.220 . 3.720 2.321 2.293 2.337 . 0 0 "[ . 1 . ]" 1 646 1 36 LEU H 1 36 LEU HG 4.450 . 4.950 4.320 4.292 4.334 . 0 0 "[ . 1 . ]" 1 647 1 36 LEU H 1 36 LEU MD2 5.370 . 5.870 4.201 4.186 4.227 . 0 0 "[ . 1 . ]" 1 648 1 36 LEU H 1 37 VAL H 3.280 . 3.780 2.531 2.424 2.582 . 0 0 "[ . 1 . ]" 1 649 1 36 LEU H 1 37 VAL MG1 5.580 . 6.080 4.001 3.888 4.061 . 0 0 "[ . 1 . ]" 1 650 1 36 LEU H 1 38 SER H 4.080 . 4.580 3.787 3.708 3.853 . 0 0 "[ . 1 . ]" 1 651 1 36 LEU HA 1 36 LEU MD1 3.990 . 4.490 2.155 2.127 2.197 . 0 0 "[ . 1 . ]" 1 652 1 36 LEU HA 1 37 VAL HA 4.710 . 5.210 4.631 4.609 4.644 . 0 0 "[ . 1 . ]" 1 653 1 36 LEU HA 1 37 VAL MG1 6.150 . 6.650 4.812 4.779 4.857 . 0 0 "[ . 1 . ]" 1 654 1 36 LEU HA 1 39 ARG HG2 4.400 . 4.900 4.464 4.415 4.547 . 0 0 "[ . 1 . ]" 1 655 1 36 LEU HA 1 39 ARG QD 4.270 . 4.770 2.823 2.327 3.680 . 0 0 "[ . 1 . ]" 1 656 1 36 LEU HB2 1 37 VAL H 4.000 . 4.500 4.040 4.016 4.054 . 0 0 "[ . 1 . ]" 1 657 1 36 LEU HB2 1 37 VAL MG1 6.060 . 6.560 4.591 4.555 4.648 . 0 0 "[ . 1 . ]" 1 658 1 36 LEU HB3 1 37 VAL H 3.910 . 4.410 2.685 2.641 2.725 . 0 0 "[ . 1 . ]" 1 659 1 36 LEU HB3 1 37 VAL MG1 5.310 . 5.810 3.078 3.043 3.145 . 0 0 "[ . 1 . ]" 1 660 1 36 LEU HG 1 37 VAL H 4.570 . 5.070 3.569 3.476 3.681 . 0 0 "[ . 1 . ]" 1 661 1 36 LEU HG 1 37 VAL HA 4.660 . 5.160 3.425 3.310 3.541 . 0 0 "[ . 1 . ]" 1 662 1 36 LEU HG 1 37 VAL MG1 6.030 . 6.530 3.152 3.080 3.266 . 0 0 "[ . 1 . ]" 1 663 1 36 LEU HG 1 40 TYR QD 4.440 . 4.940 4.028 3.987 4.085 . 0 0 "[ . 1 . ]" 1 664 1 36 LEU HG 1 40 TYR QE 4.120 . 4.620 3.089 3.011 3.162 . 0 0 "[ . 1 . ]" 1 665 1 36 LEU HG 1 79 VAL MG1 5.930 . 6.430 4.882 4.807 4.949 . 0 0 "[ . 1 . ]" 1 666 1 36 LEU MD1 1 37 VAL MG1 6.920 . 7.420 4.361 4.302 4.472 . 0 0 "[ . 1 . ]" 1 667 1 36 LEU MD1 1 39 ARG HG2 5.970 . 6.470 4.819 4.740 5.010 . 0 0 "[ . 1 . ]" 1 668 1 36 LEU MD1 1 39 ARG HG3 6.230 . 6.730 3.766 3.636 4.100 . 0 0 "[ . 1 . ]" 1 669 1 36 LEU MD1 1 39 ARG QD 5.810 . 6.310 2.333 2.120 3.833 . 0 0 "[ . 1 . ]" 1 670 1 36 LEU MD1 1 40 TYR QD 6.670 . 7.170 4.159 4.033 4.339 . 0 0 "[ . 1 . ]" 1 671 1 36 LEU MD1 1 40 TYR QE 3.880 . 4.380 2.524 2.415 2.768 . 0 0 "[ . 1 . ]" 1 672 1 36 LEU MD1 1 75 TYR QD 5.080 . 5.580 3.662 3.498 3.898 . 0 0 "[ . 1 . ]" 1 673 1 36 LEU MD1 1 75 TYR QE 4.370 . 4.870 2.659 2.506 2.809 . 0 0 "[ . 1 . ]" 1 674 1 36 LEU MD1 1 78 ALA MB 7.230 . 7.730 4.071 3.915 4.264 . 0 0 "[ . 1 . ]" 1 675 1 36 LEU MD1 1 79 VAL HA 5.740 . 6.240 4.162 4.069 4.272 . 0 0 "[ . 1 . ]" 1 676 1 36 LEU MD1 1 79 VAL MG1 5.700 . 6.200 4.013 3.984 4.047 . 0 0 "[ . 1 . ]" 1 677 1 36 LEU MD1 1 79 VAL MG2 5.970 . 6.470 3.555 3.108 3.772 . 0 0 "[ . 1 . ]" 1 678 1 36 LEU MD2 1 37 VAL H 6.080 . 6.580 4.286 4.223 4.350 . 0 0 "[ . 1 . ]" 1 679 1 36 LEU MD2 1 37 VAL MG2 7.930 . 8.430 5.182 5.109 5.246 . 0 0 "[ . 1 . ]" 1 680 1 36 LEU MD2 1 40 TYR QE 5.490 . 5.990 4.108 4.086 4.131 . 0 0 "[ . 1 . ]" 1 681 1 36 LEU MD2 1 75 TYR HA 4.660 . 5.160 2.463 2.248 2.859 . 0 0 "[ . 1 . ]" 1 682 1 36 LEU MD2 1 75 TYR HB3 5.790 . 6.290 4.227 3.989 4.625 . 0 0 "[ . 1 . ]" 1 683 1 36 LEU MD2 1 75 TYR QD 4.610 . 5.110 2.776 2.614 3.151 . 0 0 "[ . 1 . ]" 1 684 1 36 LEU MD2 1 75 TYR QE 4.800 . 5.300 3.110 3.014 3.238 . 0 0 "[ . 1 . ]" 1 685 1 36 LEU MD2 1 78 ALA MB 5.240 . 5.740 1.956 1.886 2.020 . 0 0 "[ . 1 . ]" 1 686 1 36 LEU MD2 1 79 VAL H 5.610 . 6.110 3.085 2.943 3.261 . 0 0 "[ . 1 . ]" 1 687 1 36 LEU MD2 1 79 VAL HA 5.680 . 6.180 3.910 3.679 4.202 . 0 0 "[ . 1 . ]" 1 688 1 36 LEU MD2 1 79 VAL MG1 5.480 . 5.980 3.502 3.370 3.603 . 0 0 "[ . 1 . ]" 1 689 1 37 VAL H 1 37 VAL HB 3.620 . 4.120 3.678 3.671 3.690 . 0 0 "[ . 1 . ]" 1 690 1 37 VAL H 1 37 VAL MG1 3.960 . 4.460 2.189 2.158 2.215 . 0 0 "[ . 1 . ]" 1 691 1 37 VAL H 1 38 SER H 3.500 . 4.000 2.490 2.454 2.536 . 0 0 "[ . 1 . ]" 1 692 1 37 VAL H 1 39 ARG H 4.720 . 5.220 4.124 4.036 4.163 . 0 0 "[ . 1 . ]" 1 693 1 37 VAL H 1 78 ALA MB 5.900 . 6.400 4.300 4.131 4.497 . 0 0 "[ . 1 . ]" 1 694 1 37 VAL HA 1 39 ARG H 4.640 . 5.140 3.368 3.285 3.450 . 0 0 "[ . 1 . ]" 1 695 1 37 VAL HA 1 40 TYR H 4.430 . 4.930 3.533 3.468 3.608 . 0 0 "[ . 1 . ]" 1 696 1 37 VAL HA 1 40 TYR QD 3.170 . 3.670 2.159 2.104 2.210 . 0 0 "[ . 1 . ]" 1 697 1 37 VAL HA 1 40 TYR QE 5.280 . 5.780 3.693 3.571 3.803 . 0 0 "[ . 1 . ]" 1 698 1 37 VAL HA 1 50 VAL MG2 6.300 . 6.800 5.306 5.279 5.336 . 0 0 "[ . 1 . ]" 1 699 1 37 VAL HA 1 82 ALA MB 4.740 . 5.240 2.865 2.750 3.018 . 0 0 "[ . 1 . ]" 1 700 1 37 VAL HB 1 38 SER H 4.130 . 4.630 4.181 4.160 4.223 . 0 0 "[ . 1 . ]" 1 701 1 37 VAL HB 1 50 VAL HA 5.300 . 5.800 5.333 5.300 5.380 . 0 0 "[ . 1 . ]" 1 702 1 37 VAL HB 1 82 ALA MB 5.360 . 5.860 2.224 2.196 2.294 . 0 0 "[ . 1 . ]" 1 703 1 37 VAL MG1 1 38 SER H 4.780 . 5.280 4.026 4.014 4.040 . 0 0 "[ . 1 . ]" 1 704 1 37 VAL MG1 1 40 TYR QD 5.180 . 5.680 3.762 3.645 3.860 . 0 0 "[ . 1 . ]" 1 705 1 37 VAL MG1 1 49 VAL HB 5.560 . 6.060 3.961 3.863 4.041 . 0 0 "[ . 1 . ]" 1 706 1 37 VAL MG1 1 50 VAL HA 5.090 . 5.590 3.273 3.243 3.324 . 0 0 "[ . 1 . ]" 1 707 1 37 VAL MG1 1 50 VAL HB 6.090 . 6.590 5.156 5.136 5.172 . 0 0 "[ . 1 . ]" 1 708 1 37 VAL MG1 1 79 VAL MG1 7.740 . 8.240 5.353 5.260 5.407 . 0 0 "[ . 1 . ]" 1 709 1 37 VAL MG1 1 79 VAL MG2 7.930 . 8.430 4.957 4.763 5.112 . 0 0 "[ . 1 . ]" 1 710 1 37 VAL MG1 1 82 ALA MB 6.160 . 6.660 2.379 2.316 2.510 . 0 0 "[ . 1 . ]" 1 711 1 37 VAL MG2 1 38 SER H 5.780 . 6.280 2.620 2.569 2.689 . 0 0 "[ . 1 . ]" 1 712 1 37 VAL MG2 1 40 TYR H 5.700 . 6.200 4.677 4.643 4.703 . 0 0 "[ . 1 . ]" 1 713 1 37 VAL MG2 1 40 TYR QD 6.790 . 7.290 4.857 4.816 4.902 . 0 0 "[ . 1 . ]" 1 714 1 37 VAL MG2 1 49 VAL H 5.570 . 6.070 4.262 4.215 4.310 . 0 0 "[ . 1 . ]" 1 715 1 37 VAL MG2 1 49 VAL HB 4.320 . 4.820 2.866 2.784 2.940 . 0 0 "[ . 1 . ]" 1 716 1 37 VAL MG2 1 49 VAL MG1 4.600 . 5.100 2.730 2.663 2.808 . 0 0 "[ . 1 . ]" 1 717 1 37 VAL MG2 1 49 VAL MG2 6.620 . 7.120 4.073 3.986 4.141 . 0 0 "[ . 1 . ]" 1 718 1 37 VAL MG2 1 50 VAL HB 5.680 . 6.180 4.068 4.026 4.110 . 0 0 "[ . 1 . ]" 1 719 1 37 VAL MG2 1 50 VAL MG1 6.910 . 7.410 4.061 4.024 4.101 . 0 0 "[ . 1 . ]" 1 720 1 37 VAL MG2 1 82 ALA H 6.810 . 7.310 5.733 5.704 5.780 . 0 0 "[ . 1 . ]" 1 721 1 37 VAL MG2 1 82 ALA MB 5.060 . 5.560 3.575 3.544 3.596 . 0 0 "[ . 1 . ]" 1 722 1 38 SER H 1 38 SER HB2 3.420 . 3.920 2.845 2.395 3.579 . 0 0 "[ . 1 . ]" 1 723 1 38 SER H 1 38 SER HB3 3.580 . 4.080 2.673 2.463 3.598 . 0 0 "[ . 1 . ]" 1 724 1 38 SER H 1 39 ARG H 3.780 . 4.280 2.685 2.659 2.713 . 0 0 "[ . 1 . ]" 1 725 1 38 SER H 1 40 TYR H 4.770 . 5.270 4.277 4.252 4.312 . 0 0 "[ . 1 . ]" 1 726 1 38 SER HA 1 40 TYR H 4.600 . 5.100 3.551 3.464 3.616 . 0 0 "[ . 1 . ]" 1 727 1 38 SER HA 1 41 VAL H 3.970 . 4.470 3.107 2.985 3.225 . 0 0 "[ . 1 . ]" 1 728 1 38 SER HA 1 46 VAL MG1 4.640 . 5.140 3.843 3.668 3.902 . 0 0 "[ . 1 . ]" 1 729 1 38 SER HA 1 46 VAL MG2 5.240 . 5.740 2.154 2.071 2.217 . 0 0 "[ . 1 . ]" 1 730 1 38 SER HB2 1 46 VAL MG1 5.030 . 5.530 3.687 3.076 4.320 . 0 0 "[ . 1 . ]" 1 731 1 38 SER HB3 1 46 VAL MG2 6.140 . 6.640 3.257 2.292 3.902 . 0 0 "[ . 1 . ]" 1 732 1 39 ARG H 1 39 ARG HB2 3.370 . 3.870 2.505 2.458 2.560 . 0 0 "[ . 1 . ]" 1 733 1 39 ARG H 1 39 ARG HB3 4.040 . 4.540 3.594 3.583 3.634 . 0 0 "[ . 1 . ]" 1 734 1 39 ARG H 1 39 ARG HG2 3.640 . 4.140 3.327 3.167 3.443 . 0 0 "[ . 1 . ]" 1 735 1 39 ARG H 1 39 ARG HG3 3.660 . 4.160 2.107 2.035 2.254 . 0 0 "[ . 1 . ]" 1 736 1 39 ARG H 1 39 ARG QD 5.490 . 5.990 3.744 3.625 4.250 . 0 0 "[ . 1 . ]" 1 737 1 39 ARG H 1 40 TYR H 3.390 . 3.890 2.542 2.515 2.572 . 0 0 "[ . 1 . ]" 1 738 1 39 ARG H 1 40 TYR QD 5.120 . 5.620 3.721 3.594 3.918 . 0 0 "[ . 1 . ]" 1 739 1 39 ARG H 1 41 VAL H 4.150 . 4.650 3.997 3.961 4.074 . 0 0 "[ . 1 . ]" 1 740 1 39 ARG HA 1 39 ARG HB3 2.790 . 3.290 2.438 2.406 2.461 . 0 0 "[ . 1 . ]" 1 741 1 39 ARG HA 1 39 ARG HG3 3.660 . 4.160 3.176 3.056 3.332 . 0 0 "[ . 1 . ]" 1 742 1 39 ARG HB2 1 39 ARG HG2 3.000 . 3.500 3.048 3.039 3.053 . 0 0 "[ . 1 . ]" 1 743 1 39 ARG HB2 1 40 TYR H 4.390 . 4.890 3.390 3.341 3.510 . 0 0 "[ . 1 . ]" 1 744 1 39 ARG HB2 1 40 TYR QD 4.160 . 4.660 3.274 3.170 3.452 . 0 0 "[ . 1 . ]" 1 745 1 39 ARG HB2 1 40 TYR QE 4.360 . 4.860 3.077 2.973 3.246 . 0 0 "[ . 1 . ]" 1 746 1 39 ARG HB3 1 39 ARG QD 3.570 . 4.070 2.560 2.378 3.024 . 0 0 "[ . 1 . ]" 1 747 1 39 ARG HB3 1 40 TYR H 4.330 . 4.830 4.296 4.258 4.356 . 0 0 "[ . 1 . ]" 1 748 1 39 ARG QD 1 40 TYR QE 6.270 . 6.770 3.505 3.224 4.971 . 0 0 "[ . 1 . ]" 1 749 1 40 TYR H 1 40 TYR HB2 4.130 . 4.630 2.744 2.700 2.777 . 0 0 "[ . 1 . ]" 1 750 1 40 TYR H 1 40 TYR HB3 3.800 . 4.300 3.820 3.807 3.828 . 0 0 "[ . 1 . ]" 1 751 1 40 TYR H 1 40 TYR QD 3.610 . 4.110 3.071 2.939 3.217 . 0 0 "[ . 1 . ]" 1 752 1 40 TYR H 1 40 TYR QE 5.500 . 6.000 4.786 4.732 4.854 . 0 0 "[ . 1 . ]" 1 753 1 40 TYR H 1 41 VAL H 3.030 . 3.530 1.909 1.885 1.965 . 0 0 "[ . 1 . ]" 1 754 1 40 TYR H 1 41 VAL MG2 5.220 . 5.720 3.331 3.295 3.369 . 0 0 "[ . 1 . ]" 1 755 1 40 TYR HA 1 40 TYR QD 3.580 . 4.080 2.668 2.536 2.778 . 0 0 "[ . 1 . ]" 1 756 1 40 TYR HA 1 86 LEU MD1 5.750 . 6.250 3.381 3.205 3.497 . 0 0 "[ . 1 . ]" 1 757 1 40 TYR HB2 1 41 VAL H 4.800 . 5.300 3.292 3.184 3.388 . 0 0 "[ . 1 . ]" 1 758 1 40 TYR HB2 1 41 VAL MG1 5.540 . 6.040 3.278 3.189 3.369 . 0 0 "[ . 1 . ]" 1 759 1 40 TYR HB2 1 41 VAL MG2 5.780 . 6.280 3.313 3.258 3.369 . 0 0 "[ . 1 . ]" 1 760 1 40 TYR HB2 1 82 ALA MB 4.590 . 5.090 2.197 2.134 2.334 . 0 0 "[ . 1 . ]" 1 761 1 40 TYR HB2 1 83 LYS HA 4.660 . 5.160 4.720 4.631 4.826 . 0 0 "[ . 1 . ]" 1 762 1 40 TYR HB2 1 83 LYS QG 6.320 . 6.820 5.257 3.918 5.774 . 0 0 "[ . 1 . ]" 1 763 1 40 TYR HB2 1 86 LEU MD1 5.390 . 5.890 3.759 3.639 3.911 . 0 0 "[ . 1 . ]" 1 764 1 40 TYR HB3 1 41 VAL H 4.260 . 4.760 4.248 4.172 4.297 . 0 0 "[ . 1 . ]" 1 765 1 40 TYR HB3 1 82 ALA MB 4.370 . 4.870 3.250 3.127 3.339 . 0 0 "[ . 1 . ]" 1 766 1 40 TYR HB3 1 86 LEU MD1 5.500 . 6.000 2.501 2.331 2.669 . 0 0 "[ . 1 . ]" 1 767 1 40 TYR QD 1 41 VAL H 5.430 . 5.930 4.389 4.313 4.497 . 0 0 "[ . 1 . ]" 1 768 1 40 TYR QD 1 41 VAL MG2 7.060 . 7.560 4.356 4.322 4.428 . 0 0 "[ . 1 . ]" 1 769 1 40 TYR QD 1 79 VAL HA 4.270 . 4.770 3.532 3.361 3.816 . 0 0 "[ . 1 . ]" 1 770 1 40 TYR QD 1 82 ALA MB 4.140 . 4.640 2.698 2.522 2.809 . 0 0 "[ . 1 . ]" 1 771 1 40 TYR QD 1 86 LEU MD1 5.700 . 6.200 3.679 3.382 3.854 . 0 0 "[ . 1 . ]" 1 772 1 40 TYR QE 1 79 VAL HA 3.940 . 4.440 3.344 3.146 3.535 . 0 0 "[ . 1 . ]" 1 773 1 40 TYR QE 1 79 VAL MG1 6.200 . 6.700 4.566 4.451 4.676 . 0 0 "[ . 1 . ]" 1 774 1 40 TYR QE 1 79 VAL MG2 6.030 . 6.530 2.578 2.279 2.712 . 0 0 "[ . 1 . ]" 1 775 1 40 TYR QE 1 79 VAL QG 4.300 . 4.800 2.563 2.274 2.690 . 0 0 "[ . 1 . ]" 1 776 1 40 TYR QE 1 82 ALA MB 6.870 . 7.370 4.209 4.068 4.314 . 0 0 "[ . 1 . ]" 1 777 1 41 VAL H 1 41 VAL HB 4.090 . 4.590 3.808 3.783 3.824 . 0 0 "[ . 1 . ]" 1 778 1 41 VAL H 1 41 VAL MG2 4.190 . 4.690 2.294 2.262 2.317 . 0 0 "[ . 1 . ]" 1 779 1 41 VAL HA 1 42 PRO HD2 3.120 . 3.620 2.514 2.334 2.865 . 0 0 "[ . 1 . ]" 1 780 1 41 VAL HA 1 86 LEU MD1 5.060 . 5.560 4.251 4.161 4.280 . 0 0 "[ . 1 . ]" 1 781 1 41 VAL HB 1 42 PRO HD2 3.610 . 4.110 2.179 2.101 2.324 . 0 0 "[ . 1 . ]" 1 782 1 41 VAL HB 1 45 ASP HB2 4.230 . 4.730 2.139 2.101 2.175 . 0 0 "[ . 1 . ]" 1 783 1 41 VAL HB 1 46 VAL HA 4.400 . 4.900 4.428 4.370 4.454 . 0 0 "[ . 1 . ]" 1 784 1 41 VAL MG1 1 42 PRO HD2 4.880 . 5.380 2.915 2.742 3.185 . 0 0 "[ . 1 . ]" 1 785 1 41 VAL MG1 1 42 PRO QG 6.960 . 7.460 4.384 4.274 4.535 . 0 0 "[ . 1 . ]" 1 786 1 41 VAL MG1 1 45 ASP H 6.120 . 6.620 5.174 5.144 5.219 . 0 0 "[ . 1 . ]" 1 787 1 41 VAL MG1 1 45 ASP HA 6.330 . 6.830 5.344 5.332 5.362 . 0 0 "[ . 1 . ]" 1 788 1 41 VAL MG1 1 45 ASP HB2 4.880 . 5.380 3.238 3.197 3.285 . 0 0 "[ . 1 . ]" 1 789 1 41 VAL MG1 1 45 ASP HB3 5.460 . 5.960 3.364 3.328 3.402 . 0 0 "[ . 1 . ]" 1 790 1 41 VAL MG1 1 49 VAL MG2 5.480 . 5.980 2.157 2.097 2.186 . 0 0 "[ . 1 . ]" 1 791 1 41 VAL MG1 1 82 ALA HA 5.220 . 5.720 3.494 3.316 3.601 . 0 0 "[ . 1 . ]" 1 792 1 41 VAL MG1 1 82 ALA MB 6.130 . 6.630 2.817 2.638 2.910 . 0 0 "[ . 1 . ]" 1 793 1 41 VAL MG1 1 85 TYR HB3 5.570 . 6.070 3.327 3.172 3.472 . 0 0 "[ . 1 . ]" 1 794 1 41 VAL MG1 1 85 TYR QD 4.480 . 4.980 2.135 2.082 2.216 . 0 0 "[ . 1 . ]" 1 795 1 41 VAL MG1 1 85 TYR QE 4.720 . 5.220 2.615 2.437 2.771 . 0 0 "[ . 1 . ]" 1 796 1 41 VAL MG1 1 86 LEU MD1 5.740 . 6.240 3.351 3.292 3.448 . 0 0 "[ . 1 . ]" 1 797 1 41 VAL MG2 1 42 PRO HD2 5.250 . 5.750 3.835 3.761 3.972 . 0 0 "[ . 1 . ]" 1 798 1 41 VAL MG2 1 45 ASP H 5.720 . 6.220 4.166 4.093 4.272 . 0 0 "[ . 1 . ]" 1 799 1 41 VAL MG2 1 45 ASP HB2 4.890 . 5.390 3.210 3.134 3.298 . 0 0 "[ . 1 . ]" 1 800 1 41 VAL MG2 1 45 ASP HB3 4.980 . 5.480 3.630 3.550 3.716 . 0 0 "[ . 1 . ]" 1 801 1 41 VAL MG2 1 46 VAL H 5.720 . 6.220 3.616 3.540 3.691 . 0 0 "[ . 1 . ]" 1 802 1 41 VAL MG2 1 49 VAL H 5.980 . 6.480 4.169 4.090 4.218 . 0 0 "[ . 1 . ]" 1 803 1 41 VAL MG2 1 49 VAL HB 5.190 . 5.690 2.694 2.649 2.756 . 0 0 "[ . 1 . ]" 1 804 1 41 VAL MG2 1 49 VAL MG2 5.320 . 5.820 2.375 2.330 2.470 . 0 0 "[ . 1 . ]" 1 805 1 41 VAL MG2 1 82 ALA HA 4.980 . 5.480 4.039 3.934 4.177 . 0 0 "[ . 1 . ]" 1 806 1 41 VAL MG2 1 82 ALA MB 5.900 . 6.400 2.718 2.580 2.866 . 0 0 "[ . 1 . ]" 1 807 1 41 VAL MG2 1 85 TYR HB3 6.050 . 6.550 4.927 4.743 5.077 . 0 0 "[ . 1 . ]" 1 808 1 41 VAL MG2 1 85 TYR QD 6.190 . 6.690 4.245 4.184 4.350 . 0 0 "[ . 1 . ]" 1 809 1 41 VAL MG2 1 85 TYR QE 6.780 . 7.280 4.565 4.404 4.712 . 0 0 "[ . 1 . ]" 1 810 1 41 VAL MG2 1 86 LEU MD1 7.100 . 7.600 4.936 4.913 4.956 . 0 0 "[ . 1 . ]" 1 811 1 42 PRO HA 1 43 SER H 2.950 . 3.450 2.399 2.367 2.422 . 0 0 "[ . 1 . ]" 1 812 1 42 PRO HA 1 43 SER HA 4.360 . 4.860 4.315 4.283 4.371 . 0 0 "[ . 1 . ]" 1 813 1 42 PRO HB2 1 43 SER H 3.980 . 4.480 2.983 2.738 3.459 . 0 0 "[ . 1 . ]" 1 814 1 42 PRO HB3 1 43 SER H 4.040 . 4.540 3.457 3.047 3.681 . 0 0 "[ . 1 . ]" 1 815 1 42 PRO HB3 1 44 GLY H 4.280 . 4.780 3.973 3.292 4.307 . 0 0 "[ . 1 . ]" 1 816 1 42 PRO HD2 1 45 ASP HB2 4.490 . 4.990 2.701 2.482 2.823 . 0 0 "[ . 1 . ]" 1 817 1 42 PRO HD2 1 45 ASP HB3 4.270 . 4.770 4.169 3.909 4.287 . 0 0 "[ . 1 . ]" 1 818 1 42 PRO HD2 1 85 TYR QE 4.270 . 4.770 3.855 3.821 3.898 . 0 0 "[ . 1 . ]" 1 819 1 42 PRO QG 1 45 ASP H 5.190 . 5.690 3.581 2.974 4.704 . 0 0 "[ . 1 . ]" 1 820 1 43 SER H 1 43 SER HB3 3.310 . 3.810 2.606 2.443 3.530 . 0 0 "[ . 1 . ]" 1 821 1 43 SER H 1 44 GLY H 4.110 . 4.610 2.757 2.679 2.829 . 0 0 "[ . 1 . ]" 1 822 1 43 SER HA 1 43 SER HB2 2.800 . 3.300 2.533 2.461 3.027 . 0 0 "[ . 1 . ]" 1 823 1 43 SER HA 1 43 SER HB3 2.800 . 3.300 2.579 2.440 3.032 . 0 0 "[ . 1 . ]" 1 824 1 43 SER HA 1 46 VAL H 4.330 . 4.830 3.149 3.113 3.207 . 0 0 "[ . 1 . ]" 1 825 1 43 SER HA 1 46 VAL HB 4.290 . 4.790 2.908 2.813 3.026 . 0 0 "[ . 1 . ]" 1 826 1 43 SER HA 1 46 VAL MG1 4.920 . 5.420 3.981 3.939 4.039 . 0 0 "[ . 1 . ]" 1 827 1 43 SER HA 1 46 VAL MG2 5.960 . 6.460 2.110 2.050 2.144 . 0 0 "[ . 1 . ]" 1 828 1 43 SER HA 1 47 PRO HD2 4.700 . 5.200 4.703 4.612 4.742 . 0 0 "[ . 1 . ]" 1 829 1 43 SER HB2 1 44 GLY H 4.090 . 4.590 4.012 3.214 4.148 . 0 0 "[ . 1 . ]" 1 830 1 43 SER HB3 1 44 GLY H 4.130 . 4.630 3.961 3.088 4.226 . 0 0 "[ . 1 . ]" 1 831 1 44 GLY H 1 45 ASP H 3.640 . 4.140 2.586 2.537 2.638 . 0 0 "[ . 1 . ]" 1 832 1 44 GLY H 1 46 VAL H 4.770 . 5.270 3.988 3.938 4.026 . 0 0 "[ . 1 . ]" 1 833 1 45 ASP H 1 45 ASP HB2 3.820 . 4.320 2.557 2.540 2.568 . 0 0 "[ . 1 . ]" 1 834 1 45 ASP H 1 45 ASP HB3 3.740 . 4.240 3.739 3.721 3.744 . 0 0 "[ . 1 . ]" 1 835 1 45 ASP H 1 46 VAL H 2.960 . 3.460 2.051 2.036 2.072 . 0 0 "[ . 1 . ]" 1 836 1 45 ASP H 1 46 VAL HA 5.050 . 5.550 4.518 4.498 4.544 . 0 0 "[ . 1 . ]" 1 837 1 45 ASP HB2 1 46 VAL H 4.750 . 5.250 3.527 3.478 3.563 . 0 0 "[ . 1 . ]" 1 838 1 45 ASP HB2 1 49 VAL MG2 4.880 . 5.380 3.709 3.604 3.799 . 0 0 "[ . 1 . ]" 1 839 1 45 ASP HB3 1 49 VAL MG2 5.760 . 6.260 2.756 2.625 2.901 . 0 0 "[ . 1 . ]" 1 840 1 46 VAL H 1 46 VAL HB 3.160 . 3.660 2.388 2.358 2.438 . 0 0 "[ . 1 . ]" 1 841 1 46 VAL H 1 47 PRO HD2 3.700 . 4.200 2.346 2.305 2.378 . 0 0 "[ . 1 . ]" 1 842 1 46 VAL H 1 47 PRO HD3 3.770 . 4.270 3.200 3.165 3.222 . 0 0 "[ . 1 . ]" 1 843 1 46 VAL HA 1 49 VAL H 4.410 . 4.910 3.480 3.439 3.548 . 0 0 "[ . 1 . ]" 1 844 1 46 VAL HA 1 49 VAL HB 3.630 . 4.130 2.811 2.758 2.948 . 0 0 "[ . 1 . ]" 1 845 1 46 VAL HA 1 49 VAL MG2 5.310 . 5.810 3.798 3.744 3.912 . 0 0 "[ . 1 . ]" 1 846 1 46 VAL HA 1 50 VAL MG2 4.060 . 4.560 3.435 3.405 3.471 . 0 0 "[ . 1 . ]" 1 847 1 46 VAL HB 1 47 PRO HD2 3.210 . 3.710 2.949 2.890 2.998 . 0 0 "[ . 1 . ]" 1 848 1 46 VAL HB 1 47 PRO HD3 3.490 . 3.990 2.240 2.188 2.273 . 0 0 "[ . 1 . ]" 1 849 1 46 VAL MG1 1 47 PRO HA 4.780 . 5.280 3.113 3.039 3.196 . 0 0 "[ . 1 . ]" 1 850 1 46 VAL MG1 1 47 PRO HB3 5.910 . 6.410 4.000 3.932 4.082 . 0 0 "[ . 1 . ]" 1 851 1 46 VAL MG1 1 47 PRO HD2 4.890 . 5.390 3.947 3.907 3.999 . 0 0 "[ . 1 . ]" 1 852 1 46 VAL MG1 1 47 PRO HD3 5.330 . 5.830 3.057 3.001 3.127 . 0 0 "[ . 1 . ]" 1 853 1 46 VAL MG1 1 50 VAL H 5.270 . 5.770 3.958 3.868 4.043 . 0 0 "[ . 1 . ]" 1 854 1 46 VAL MG1 1 50 VAL HB 5.790 . 6.290 3.724 3.589 3.890 . 0 0 "[ . 1 . ]" 1 855 1 46 VAL MG1 1 50 VAL MG1 6.230 . 6.730 4.115 4.021 4.221 . 0 0 "[ . 1 . ]" 1 856 1 46 VAL MG1 1 50 VAL MG2 3.550 . 4.050 2.269 2.195 2.358 . 0 0 "[ . 1 . ]" 1 857 1 47 PRO HA 1 48 ASP HA 4.720 . 5.220 4.702 4.673 4.716 . 0 0 "[ . 1 . ]" 1 858 1 47 PRO HA 1 50 VAL H 3.940 . 4.440 3.476 3.416 3.532 . 0 0 "[ . 1 . ]" 1 859 1 47 PRO HA 1 50 VAL HB 3.270 . 3.770 2.585 2.476 2.655 . 0 0 "[ . 1 . ]" 1 860 1 47 PRO HA 1 50 VAL MG1 4.780 . 5.280 3.879 3.747 3.947 . 0 0 "[ . 1 . ]" 1 861 1 47 PRO HA 1 50 VAL MG2 4.670 . 5.170 3.355 3.294 3.416 . 0 0 "[ . 1 . ]" 1 862 1 47 PRO HB2 1 48 ASP H 4.550 . 5.050 3.683 3.658 3.708 . 0 0 "[ . 1 . ]" 1 863 1 47 PRO HB3 1 48 ASP H 4.650 . 5.150 4.344 4.336 4.352 . 0 0 "[ . 1 . ]" 1 864 1 47 PRO HD2 1 48 ASP H 4.430 . 4.930 2.848 2.813 2.893 . 0 0 "[ . 1 . ]" 1 865 1 47 PRO HD3 1 48 ASP H 4.050 . 4.550 3.964 3.944 3.993 . 0 0 "[ . 1 . ]" 1 866 1 47 PRO HD3 1 50 VAL MG2 6.000 . 6.500 5.034 5.017 5.054 . 0 0 "[ . 1 . ]" 1 867 1 47 PRO HG2 1 48 ASP H 3.970 . 4.470 2.595 2.559 2.614 . 0 0 "[ . 1 . ]" 1 868 1 47 PRO HG3 1 48 ASP H 4.070 . 4.570 4.136 4.122 4.152 . 0 0 "[ . 1 . ]" 1 869 1 48 ASP H 1 48 ASP HB2 2.990 . 3.490 2.574 2.398 2.676 . 0 0 "[ . 1 . ]" 1 870 1 48 ASP H 1 49 VAL H 3.220 . 3.720 2.359 2.336 2.382 . 0 0 "[ . 1 . ]" 1 871 1 48 ASP H 1 49 VAL MG2 5.760 . 6.260 4.010 3.990 4.035 . 0 0 "[ . 1 . ]" 1 872 1 48 ASP H 1 50 VAL H 4.430 . 4.930 3.782 3.727 3.822 . 0 0 "[ . 1 . ]" 1 873 1 48 ASP HA 1 51 GLN H 4.010 . 4.510 3.456 3.269 3.542 . 0 0 "[ . 1 . ]" 1 874 1 48 ASP HA 1 51 GLN QB 3.820 . 4.320 2.930 2.588 3.652 . 0 0 "[ . 1 . ]" 1 875 1 48 ASP HA 1 51 GLN QG 5.120 . 5.620 4.179 2.159 4.646 . 0 0 "[ . 1 . ]" 1 876 1 48 ASP HB3 1 49 VAL H 3.840 . 4.340 3.135 2.789 3.859 . 0 0 "[ . 1 . ]" 1 877 1 48 ASP QB 1 49 VAL H 4.910 . 5.410 2.801 2.738 2.922 . 0 0 "[ . 1 . ]" 1 878 1 49 VAL H 1 49 VAL HB 3.480 . 3.980 2.306 2.283 2.337 . 0 0 "[ . 1 . ]" 1 879 1 49 VAL H 1 49 VAL MG2 4.340 . 4.840 2.440 2.376 2.508 . 0 0 "[ . 1 . ]" 1 880 1 49 VAL H 1 50 VAL H 3.350 . 3.850 2.404 2.323 2.436 . 0 0 "[ . 1 . ]" 1 881 1 49 VAL H 1 50 VAL MG2 5.580 . 6.080 4.113 4.070 4.166 . 0 0 "[ . 1 . ]" 1 882 1 49 VAL H 1 51 GLN H 4.370 . 4.870 3.932 3.809 3.985 . 0 0 "[ . 1 . ]" 1 883 1 49 VAL HA 1 51 GLN H 4.510 . 5.010 4.253 4.073 4.379 . 0 0 "[ . 1 . ]" 1 884 1 49 VAL HA 1 52 GLU H 3.880 . 4.380 3.235 3.055 3.391 . 0 0 "[ . 1 . ]" 1 885 1 49 VAL HA 1 52 GLU HB2 4.180 . 4.680 3.498 3.211 3.866 . 0 0 "[ . 1 . ]" 1 886 1 49 VAL HA 1 52 GLU HB3 3.810 . 4.310 2.726 2.526 3.060 . 0 0 "[ . 1 . ]" 1 887 1 49 VAL HA 1 53 ALA H 4.440 . 4.940 4.306 4.234 4.358 . 0 0 "[ . 1 . ]" 1 888 1 49 VAL HA 1 81 THR MG 5.440 . 5.940 3.382 3.184 3.777 . 0 0 "[ . 1 . ]" 1 889 1 49 VAL HB 1 50 VAL H 3.730 . 4.230 2.973 2.922 3.015 . 0 0 "[ . 1 . ]" 1 890 1 49 VAL MG1 1 50 VAL H 5.130 . 5.630 3.587 3.542 3.626 . 0 0 "[ . 1 . ]" 1 891 1 49 VAL MG1 1 52 GLU HB3 5.120 . 5.620 3.769 3.499 4.025 . 0 0 "[ . 1 . ]" 1 892 1 49 VAL MG1 1 53 ALA H 5.730 . 6.230 4.331 4.211 4.399 . 0 0 "[ . 1 . ]" 1 893 1 49 VAL MG1 1 53 ALA MB 5.050 . 5.550 3.380 3.303 3.499 . 0 0 "[ . 1 . ]" 1 894 1 49 VAL MG1 1 81 THR HB 5.600 . 6.100 3.461 3.320 3.729 . 0 0 "[ . 1 . ]" 1 895 1 49 VAL MG1 1 81 THR MG 4.570 . 5.070 2.260 2.157 2.474 . 0 0 "[ . 1 . ]" 1 896 1 49 VAL MG1 1 82 ALA H 5.180 . 5.680 3.352 3.280 3.401 . 0 0 "[ . 1 . ]" 1 897 1 49 VAL MG1 1 82 ALA HA 3.950 . 4.450 2.096 2.052 2.149 . 0 0 "[ . 1 . ]" 1 898 1 49 VAL MG1 1 82 ALA MB 5.150 . 5.650 2.043 2.017 2.067 . 0 0 "[ . 1 . ]" 1 899 1 49 VAL MG1 1 85 TYR HB3 5.900 . 6.400 3.753 3.603 3.893 . 0 0 "[ . 1 . ]" 1 900 1 49 VAL MG1 1 85 TYR QD 6.670 . 7.170 4.267 4.115 4.343 . 0 0 "[ . 1 . ]" 1 901 1 49 VAL MG2 1 50 VAL H 5.480 . 5.980 4.090 4.069 4.113 . 0 0 "[ . 1 . ]" 1 902 1 49 VAL MG2 1 50 VAL MG2 7.930 . 8.430 4.876 4.833 4.928 . 0 0 "[ . 1 . ]" 1 903 1 49 VAL MG2 1 81 THR MG 7.140 . 7.640 3.663 3.520 3.878 . 0 0 "[ . 1 . ]" 1 904 1 49 VAL MG2 1 82 ALA HA 5.200 . 5.700 3.086 3.021 3.171 . 0 0 "[ . 1 . ]" 1 905 1 49 VAL MG2 1 82 ALA MB 7.250 . 7.750 3.532 3.486 3.558 . 0 0 "[ . 1 . ]" 1 906 1 49 VAL MG2 1 85 TYR HB3 5.310 . 5.810 3.228 3.034 3.408 . 0 0 "[ . 1 . ]" 1 907 1 49 VAL MG2 1 85 TYR QD 4.290 . 4.790 3.015 2.816 3.076 . 0 0 "[ . 1 . ]" 1 908 1 49 VAL MG2 1 85 TYR QE 4.810 . 5.310 3.528 3.258 3.592 . 0 0 "[ . 1 . ]" 1 909 1 50 VAL H 1 50 VAL HB 3.150 . 3.650 2.302 2.254 2.331 . 0 0 "[ . 1 . ]" 1 910 1 50 VAL H 1 50 VAL MG2 3.780 . 4.280 2.427 2.349 2.524 . 0 0 "[ . 1 . ]" 1 911 1 50 VAL H 1 51 GLN H 3.530 . 4.030 2.545 2.493 2.573 . 0 0 "[ . 1 . ]" 1 912 1 50 VAL HA 1 53 ALA H 4.190 . 4.690 3.263 3.155 3.328 . 0 0 "[ . 1 . ]" 1 913 1 50 VAL HA 1 53 ALA MB 4.260 . 4.760 2.509 2.452 2.548 . 0 0 "[ . 1 . ]" 1 914 1 50 VAL HA 1 54 PHE H 4.620 . 5.120 4.417 4.192 4.533 . 0 0 "[ . 1 . ]" 1 915 1 50 VAL HB 1 51 GLN HE21 5.040 . 5.540 5.050 4.715 5.286 . 0 0 "[ . 1 . ]" 1 916 1 50 VAL HB 1 53 ALA MB 5.980 . 6.480 5.000 4.973 5.018 . 0 0 "[ . 1 . ]" 1 917 1 50 VAL MG1 1 51 GLN H 4.970 . 5.470 3.336 3.205 3.462 . 0 0 "[ . 1 . ]" 1 918 1 50 VAL MG1 1 51 GLN HA 5.260 . 5.760 3.257 3.149 3.459 . 0 0 "[ . 1 . ]" 1 919 1 50 VAL MG1 1 51 GLN HE21 6.100 . 6.600 4.637 4.227 5.184 . 0 0 "[ . 1 . ]" 1 920 1 50 VAL MG1 1 51 GLN QG 6.750 . 7.250 4.510 3.247 5.093 . 0 0 "[ . 1 . ]" 1 921 1 50 VAL MG1 1 53 ALA MB 4.960 . 5.460 3.443 3.381 3.490 . 0 0 "[ . 1 . ]" 1 922 1 50 VAL MG1 1 54 PHE H 5.620 . 6.120 4.174 4.017 4.285 . 0 0 "[ . 1 . ]" 1 923 1 50 VAL MG1 1 54 PHE HB2 5.620 . 6.120 4.279 4.087 4.412 . 0 0 "[ . 1 . ]" 1 924 1 50 VAL MG1 1 54 PHE HZ 6.080 . 6.580 3.938 3.838 4.155 . 0 0 "[ . 1 . ]" 1 925 1 50 VAL MG1 1 54 PHE QD 3.570 . 4.070 2.491 2.305 2.666 . 0 0 "[ . 1 . ]" 1 926 1 50 VAL MG1 1 54 PHE QE 3.650 . 4.150 2.224 2.131 2.418 . 0 0 "[ . 1 . ]" 1 927 1 50 VAL MG2 1 51 GLN H 5.240 . 5.740 4.058 3.997 4.104 . 0 0 "[ . 1 . ]" 1 928 1 51 GLN H 1 51 GLN QB 3.360 . 3.860 2.226 2.161 2.395 . 0 0 "[ . 1 . ]" 1 929 1 51 GLN H 1 51 GLN QG 4.520 . 5.020 3.438 2.264 4.052 . 0 0 "[ . 1 . ]" 1 930 1 51 GLN H 1 52 GLU H 3.490 . 3.990 2.552 2.511 2.606 . 0 0 "[ . 1 . ]" 1 931 1 51 GLN H 1 53 ALA MB 6.440 . 6.940 4.737 4.692 4.802 . 0 0 "[ . 1 . ]" 1 932 1 51 GLN HA 1 53 ALA H 4.130 . 4.630 3.990 3.905 4.139 . 0 0 "[ . 1 . ]" 1 933 1 51 GLN HA 1 54 PHE H 3.810 . 4.310 3.404 3.164 3.631 . 0 0 "[ . 1 . ]" 1 934 1 51 GLN HA 1 54 PHE HB2 4.580 . 5.080 3.151 2.823 3.510 . 0 0 "[ . 1 . ]" 1 935 1 51 GLN HA 1 54 PHE QD 4.380 . 4.880 3.028 2.650 3.451 . 0 0 "[ . 1 . ]" 1 936 1 51 GLN HA 1 55 ILE H 4.480 . 4.980 4.165 3.925 4.325 . 0 0 "[ . 1 . ]" 1 937 1 51 GLN HA 1 55 ILE MD 6.170 . 6.670 3.374 2.879 3.621 . 0 0 "[ . 1 . ]" 1 938 1 51 GLN QB 1 52 GLU H 3.910 . 4.410 3.011 2.826 3.581 . 0 0 "[ . 1 . ]" 1 939 1 51 GLN QB 1 55 ILE MD 6.390 . 6.890 3.942 3.026 4.428 . 0 0 "[ . 1 . ]" 1 940 1 51 GLN QG 1 52 GLU H 4.970 . 5.470 4.039 2.299 4.475 . 0 0 "[ . 1 . ]" 1 941 1 51 GLN QG 1 55 ILE HG12 5.560 . 6.060 4.306 3.608 5.125 . 0 0 "[ . 1 . ]" 1 942 1 51 GLN QG 1 55 ILE MD 4.950 . 5.450 3.128 2.509 3.739 . 0 0 "[ . 1 . ]" 1 943 1 52 GLU H 1 52 GLU HB2 3.160 . 3.660 2.561 2.514 2.624 . 0 0 "[ . 1 . ]" 1 944 1 52 GLU H 1 52 GLU HB3 3.290 . 3.790 2.495 2.430 2.555 . 0 0 "[ . 1 . ]" 1 945 1 52 GLU H 1 52 GLU HG2 4.460 . 4.960 4.488 4.442 4.635 . 0 0 "[ . 1 . ]" 1 946 1 52 GLU H 1 52 GLU HG3 4.450 . 4.950 4.446 4.406 4.471 . 0 0 "[ . 1 . ]" 1 947 1 52 GLU H 1 53 ALA H 3.380 . 3.880 2.424 2.343 2.537 . 0 0 "[ . 1 . ]" 1 948 1 52 GLU HA 1 52 GLU HG2 3.730 . 4.230 3.217 3.033 3.738 . 0 0 "[ . 1 . ]" 1 949 1 52 GLU HA 1 54 PHE H 4.840 . 5.340 4.286 4.190 4.439 . 0 0 "[ . 1 . ]" 1 950 1 52 GLU HA 1 55 ILE H 3.700 . 4.200 3.396 3.212 3.511 . 0 0 "[ . 1 . ]" 1 951 1 52 GLU HA 1 55 ILE HB 2.970 . 3.470 2.708 2.510 2.823 . 0 0 "[ . 1 . ]" 1 952 1 52 GLU HA 1 55 ILE MD 4.910 . 5.410 4.099 3.893 4.200 . 0 0 "[ . 1 . ]" 1 953 1 52 GLU HA 1 55 ILE MG 4.670 . 5.170 3.735 3.435 3.886 . 0 0 "[ . 1 . ]" 1 954 1 52 GLU HA 1 56 LYS H 4.760 . 5.260 3.909 3.589 4.066 . 0 0 "[ . 1 . ]" 1 955 1 52 GLU HB2 1 53 ALA H 4.090 . 4.590 4.122 4.081 4.151 . 0 0 "[ . 1 . ]" 1 956 1 52 GLU HB3 1 53 ALA H 3.970 . 4.470 3.087 2.972 3.188 . 0 0 "[ . 1 . ]" 1 957 1 52 GLU HB3 1 53 ALA MB 5.380 . 5.880 4.116 4.078 4.173 . 0 0 "[ . 1 . ]" 1 958 1 52 GLU HB3 1 81 THR MG 4.220 . 4.720 2.504 2.154 2.854 . 0 0 "[ . 1 . ]" 1 959 1 52 GLU HG2 1 56 LYS QB 4.600 . 5.100 3.606 3.286 4.271 . 0 0 "[ . 1 . ]" 1 960 1 52 GLU HG2 1 81 THR MG 4.890 . 5.390 2.509 2.219 3.037 . 0 0 "[ . 1 . ]" 1 961 1 52 GLU HG3 1 55 ILE MG 6.230 . 6.730 4.305 4.003 4.969 . 0 0 "[ . 1 . ]" 1 962 1 52 GLU HG3 1 56 LYS QB 5.330 . 5.830 3.911 2.729 4.311 . 0 0 "[ . 1 . ]" 1 963 1 52 GLU HG3 1 81 THR MG 5.400 . 5.900 3.644 2.405 4.024 . 0 0 "[ . 1 . ]" 1 964 1 53 ALA H 1 81 THR MG 4.650 . 5.150 3.181 2.891 3.730 . 0 0 "[ . 1 . ]" 1 965 1 53 ALA HA 1 56 LYS H 4.190 . 4.690 3.621 3.531 3.782 . 0 0 "[ . 1 . ]" 1 966 1 53 ALA HA 1 56 LYS QB 3.650 . 4.150 2.863 2.673 3.055 . 0 0 "[ . 1 . ]" 1 967 1 53 ALA HA 1 77 ILE MG 4.430 . 4.930 2.887 2.699 3.058 . 0 0 "[ . 1 . ]" 1 968 1 53 ALA HA 1 81 THR MG 4.480 . 4.980 2.619 2.393 2.871 . 0 0 "[ . 1 . ]" 1 969 1 53 ALA MB 1 54 PHE H 4.180 . 4.680 2.767 2.695 2.846 . 0 0 "[ . 1 . ]" 1 970 1 53 ALA MB 1 54 PHE HA 5.690 . 6.190 3.992 3.974 4.015 . 0 0 "[ . 1 . ]" 1 971 1 53 ALA MB 1 54 PHE QD 6.690 . 7.190 4.024 3.942 4.079 . 0 0 "[ . 1 . ]" 1 972 1 53 ALA MB 1 56 LYS QB 5.970 . 6.470 4.217 4.058 4.423 . 0 0 "[ . 1 . ]" 1 973 1 53 ALA MB 1 74 LEU MD2 6.090 . 6.590 3.328 3.116 3.652 . 0 0 "[ . 1 . ]" 1 974 1 53 ALA MB 1 77 ILE MD 7.800 . 8.300 5.103 4.893 5.261 . 0 0 "[ . 1 . ]" 1 975 1 53 ALA MB 1 77 ILE MG 5.620 . 6.120 2.997 2.784 3.191 . 0 0 "[ . 1 . ]" 1 976 1 53 ALA MB 1 78 ALA H 5.460 . 5.960 4.142 3.973 4.264 . 0 0 "[ . 1 . ]" 1 977 1 53 ALA MB 1 78 ALA HA 3.940 . 4.440 2.391 2.291 2.493 . 0 0 "[ . 1 . ]" 1 978 1 53 ALA MB 1 78 ALA MB 4.750 . 5.250 2.793 2.547 3.009 . 0 0 "[ . 1 . ]" 1 979 1 53 ALA MB 1 81 THR HB 4.910 . 5.410 2.819 2.668 3.081 . 0 0 "[ . 1 . ]" 1 980 1 53 ALA MB 1 82 ALA H 5.690 . 6.190 4.744 4.682 4.793 . 0 0 "[ . 1 . ]" 1 981 1 54 PHE H 1 54 PHE HB2 3.560 . 4.060 2.309 2.294 2.331 . 0 0 "[ . 1 . ]" 1 982 1 54 PHE H 1 54 PHE HB3 3.540 . 4.040 3.571 3.559 3.582 . 0 0 "[ . 1 . ]" 1 983 1 54 PHE H 1 54 PHE QD 3.590 . 4.090 3.204 3.161 3.227 . 0 0 "[ . 1 . ]" 1 984 1 54 PHE H 1 55 ILE H 2.950 . 3.450 2.468 2.447 2.495 . 0 0 "[ . 1 . ]" 1 985 1 54 PHE H 1 55 ILE MD 5.860 . 6.360 3.756 3.480 3.908 . 0 0 "[ . 1 . ]" 1 986 1 54 PHE HA 1 54 PHE QD 3.060 . 3.560 2.312 2.272 2.351 . 0 0 "[ . 1 . ]" 1 987 1 54 PHE HA 1 57 ALA H 4.130 . 4.630 3.183 3.076 3.260 . 0 0 "[ . 1 . ]" 1 988 1 54 PHE HA 1 57 ALA MB 4.130 . 4.630 2.367 2.264 2.432 . 0 0 "[ . 1 . ]" 1 989 1 54 PHE HA 1 74 LEU MD2 5.200 . 5.700 4.036 3.871 4.162 . 0 0 "[ . 1 . ]" 1 990 1 54 PHE HB2 1 55 ILE H 4.880 . 5.380 2.923 2.888 2.958 . 0 0 "[ . 1 . ]" 1 991 1 54 PHE HB3 1 55 ILE H 4.360 . 4.860 3.688 3.651 3.750 . 0 0 "[ . 1 . ]" 1 992 1 54 PHE HZ 1 74 LEU MD1 4.490 . 4.990 3.704 3.567 3.851 . 0 0 "[ . 1 . ]" 1 993 1 54 PHE QD 1 55 ILE MD 6.470 . 6.970 4.259 4.001 4.441 . 0 0 "[ . 1 . ]" 1 994 1 54 PHE QD 1 57 ALA MB 5.390 . 5.890 3.282 3.109 3.355 . 0 0 "[ . 1 . ]" 1 995 1 54 PHE QD 1 74 LEU MD1 5.180 . 5.680 3.581 3.375 3.798 . 0 0 "[ . 1 . ]" 1 996 1 54 PHE QD 1 74 LEU MD2 5.900 . 6.400 3.561 3.150 3.756 . 0 0 "[ . 1 . ]" 1 997 1 54 PHE QE 1 57 ALA MB 6.940 . 7.440 4.803 4.620 4.891 . 0 0 "[ . 1 . ]" 1 998 1 54 PHE QE 1 74 LEU MD1 4.070 . 4.570 2.125 2.067 2.219 . 0 0 "[ . 1 . ]" 1 999 1 54 PHE QE 1 74 LEU MD2 5.390 . 5.890 3.038 2.604 3.315 . 0 0 "[ . 1 . ]" 1 1000 1 55 ILE H 1 55 ILE HB 3.100 . 3.600 2.165 2.121 2.211 . 0 0 "[ . 1 . ]" 1 1001 1 55 ILE H 1 55 ILE HG12 3.940 . 4.440 3.924 3.719 4.046 . 0 0 "[ . 1 . ]" 1 1002 1 55 ILE H 1 55 ILE HG13 4.070 . 4.570 4.097 4.039 4.125 . 0 0 "[ . 1 . ]" 1 1003 1 55 ILE H 1 55 ILE MD 4.950 . 5.450 2.383 2.224 2.480 . 0 0 "[ . 1 . ]" 1 1004 1 55 ILE HA 1 55 ILE HG12 3.890 . 4.390 3.608 3.573 3.679 . 0 0 "[ . 1 . ]" 1 1005 1 55 ILE HA 1 55 ILE HG13 3.640 . 4.140 2.483 2.351 2.671 . 0 0 "[ . 1 . ]" 1 1006 1 55 ILE HA 1 58 TYR H 3.930 . 4.430 3.082 3.017 3.180 . 0 0 "[ . 1 . ]" 1 1007 1 55 ILE HA 1 58 TYR HB2 3.690 . 4.190 2.969 2.841 3.071 . 0 0 "[ . 1 . ]" 1 1008 1 55 ILE HA 1 58 TYR HB3 3.960 . 4.460 2.563 2.473 2.733 . 0 0 "[ . 1 . ]" 1 1009 1 55 ILE HB 1 56 LYS H 3.740 . 4.240 3.128 2.979 3.182 . 0 0 "[ . 1 . ]" 1 1010 1 55 ILE MD 1 58 TYR HB2 6.040 . 6.540 3.840 3.662 4.151 . 0 0 "[ . 1 . ]" 1 1011 1 55 ILE MD 1 58 TYR QD 6.900 . 7.400 4.857 4.703 5.088 . 0 0 "[ . 1 . ]" 1 1012 1 55 ILE MG 1 56 LYS H 4.960 . 5.460 3.237 3.140 3.388 . 0 0 "[ . 1 . ]" 1 1013 1 55 ILE MG 1 56 LYS HA 4.840 . 5.340 3.344 3.270 3.472 . 0 0 "[ . 1 . ]" 1 1014 1 55 ILE MG 1 56 LYS QB 5.410 . 5.910 3.834 3.723 4.015 . 0 0 "[ . 1 . ]" 1 1015 1 55 ILE MG 1 57 ALA H 6.000 . 6.500 4.845 4.784 4.904 . 0 0 "[ . 1 . ]" 1 1016 1 55 ILE MG 1 57 ALA MB 8.150 . 8.650 5.712 5.696 5.727 . 0 0 "[ . 1 . ]" 1 1017 1 55 ILE MG 1 58 TYR H 5.960 . 6.460 4.534 4.501 4.583 . 0 0 "[ . 1 . ]" 1 1018 1 55 ILE MG 1 58 TYR HB2 5.740 . 6.240 4.792 4.718 4.824 . 0 0 "[ . 1 . ]" 1 1019 1 55 ILE MG 1 58 TYR QD 5.500 . 6.000 4.071 3.969 4.114 . 0 0 "[ . 1 . ]" 1 1020 1 55 ILE MG 1 59 ARG H 6.090 . 6.590 4.395 4.302 4.456 . 0 0 "[ . 1 . ]" 1 1021 1 55 ILE MG 1 59 ARG HG3 6.240 . 6.740 5.193 4.986 5.253 . 0 0 "[ . 1 . ]" 1 1022 1 55 ILE MG 1 59 ARG QB 6.770 . 7.270 4.227 3.931 4.459 . 0 0 "[ . 1 . ]" 1 1023 1 55 ILE MG 1 59 ARG QD 4.960 . 5.460 3.205 2.966 3.446 . 0 0 "[ . 1 . ]" 1 1024 1 56 LYS H 1 56 LYS QB 3.320 . 3.820 2.238 2.214 2.312 . 0 0 "[ . 1 . ]" 1 1025 1 56 LYS H 1 57 ALA H 3.490 . 3.990 2.473 2.447 2.498 . 0 0 "[ . 1 . ]" 1 1026 1 56 LYS H 1 57 ALA MB 5.910 . 6.410 4.157 4.127 4.182 . 0 0 "[ . 1 . ]" 1 1027 1 56 LYS HA 1 56 LYS HG2 3.690 . 4.190 3.696 2.893 3.808 . 0 0 "[ . 1 . ]" 1 1028 1 56 LYS HA 1 59 ARG HG3 4.090 . 4.590 3.463 3.141 3.807 . 0 0 "[ . 1 . ]" 1 1029 1 56 LYS HA 1 59 ARG QD 5.100 . 5.600 3.018 2.421 3.973 . 0 0 "[ . 1 . ]" 1 1030 1 56 LYS HA 1 60 ALA H 4.560 . 5.060 4.656 4.510 4.704 . 0 0 "[ . 1 . ]" 1 1031 1 56 LYS HA 1 77 ILE MG 5.900 . 6.400 4.917 4.726 5.076 . 0 0 "[ . 1 . ]" 1 1032 1 56 LYS HG2 1 77 ILE MG 6.050 . 6.550 3.055 2.430 3.358 . 0 0 "[ . 1 . ]" 1 1033 1 56 LYS HG3 1 60 ALA MB 6.360 . 6.860 3.511 3.267 3.741 . 0 0 "[ . 1 . ]" 1 1034 1 56 LYS HG3 1 77 ILE MD 5.920 . 6.420 3.397 2.725 5.000 . 0 0 "[ . 1 . ]" 1 1035 1 56 LYS HG3 1 77 ILE MG 6.170 . 6.670 3.048 2.517 4.459 . 0 0 "[ . 1 . ]" 1 1036 1 56 LYS QB 1 57 ALA H 3.650 . 4.150 2.746 2.697 2.789 . 0 0 "[ . 1 . ]" 1 1037 1 56 LYS QB 1 57 ALA MB 5.390 . 5.890 3.903 3.823 3.957 . 0 0 "[ . 1 . ]" 1 1038 1 56 LYS QB 1 77 ILE MD 5.230 . 5.730 3.944 3.901 3.975 . 0 0 "[ . 1 . ]" 1 1039 1 56 LYS QB 1 77 ILE MG 4.310 . 4.810 2.700 2.607 2.791 . 0 0 "[ . 1 . ]" 1 1040 1 56 LYS QD 1 59 ARG HG3 5.580 . 6.080 3.164 2.788 5.138 . 0 0 "[ . 1 . ]" 1 1041 1 56 LYS QD 1 60 ALA MB 4.920 . 5.420 3.647 3.306 3.770 . 0 0 "[ . 1 . ]" 1 1042 1 57 ALA H 1 58 TYR H 3.430 . 3.930 2.540 2.502 2.655 . 0 0 "[ . 1 . ]" 1 1043 1 57 ALA H 1 77 ILE MD 5.620 . 6.120 4.063 3.863 4.218 . 0 0 "[ . 1 . ]" 1 1044 1 57 ALA H 1 77 ILE MG 4.950 . 5.450 3.527 3.348 3.663 . 0 0 "[ . 1 . ]" 1 1045 1 57 ALA HA 1 60 ALA H 4.230 . 4.730 3.275 3.215 3.409 . 0 0 "[ . 1 . ]" 1 1046 1 57 ALA HA 1 60 ALA MB 4.670 . 5.170 2.598 2.474 2.894 . 0 0 "[ . 1 . ]" 1 1047 1 57 ALA HA 1 61 LEU H 4.180 . 4.680 4.075 3.923 4.199 . 0 0 "[ . 1 . ]" 1 1048 1 57 ALA HA 1 73 TRP HH2 3.270 . 3.770 2.711 2.604 2.833 . 0 0 "[ . 1 . ]" 1 1049 1 57 ALA HA 1 73 TRP HZ2 4.250 . 4.750 4.246 4.142 4.306 . 0 0 "[ . 1 . ]" 1 1050 1 57 ALA HA 1 77 ILE MD 4.430 . 4.930 2.616 2.391 2.767 . 0 0 "[ . 1 . ]" 1 1051 1 57 ALA HA 1 77 ILE MG 5.790 . 6.290 3.543 3.365 3.691 . 0 0 "[ . 1 . ]" 1 1052 1 57 ALA MB 1 58 TYR H 4.160 . 4.660 2.733 2.645 2.808 . 0 0 "[ . 1 . ]" 1 1053 1 57 ALA MB 1 58 TYR HB2 6.020 . 6.520 4.196 4.116 4.318 . 0 0 "[ . 1 . ]" 1 1054 1 57 ALA MB 1 60 ALA H 5.960 . 6.460 4.411 4.378 4.481 . 0 0 "[ . 1 . ]" 1 1055 1 57 ALA MB 1 60 ALA MB 6.140 . 6.640 4.017 3.932 4.264 . 0 0 "[ . 1 . ]" 1 1056 1 57 ALA MB 1 61 LEU HB3 5.540 . 6.040 4.661 4.636 4.691 . 0 0 "[ . 1 . ]" 1 1057 1 57 ALA MB 1 73 TRP HE3 6.330 . 6.830 4.128 3.963 4.264 . 0 0 "[ . 1 . ]" 1 1058 1 57 ALA MB 1 73 TRP HH2 4.680 . 5.180 3.249 3.176 3.369 . 0 0 "[ . 1 . ]" 1 1059 1 57 ALA MB 1 73 TRP HZ3 3.870 . 4.370 2.482 2.347 2.611 . 0 0 "[ . 1 . ]" 1 1060 1 57 ALA MB 1 74 LEU HA 5.520 . 6.020 3.956 3.865 4.101 . 0 0 "[ . 1 . ]" 1 1061 1 57 ALA MB 1 74 LEU MD1 7.230 . 7.730 4.228 4.047 4.517 . 0 0 "[ . 1 . ]" 1 1062 1 57 ALA MB 1 74 LEU MD2 4.920 . 5.420 3.409 3.251 3.450 . 0 0 "[ . 1 . ]" 1 1063 1 57 ALA MB 1 77 ILE MD 5.480 . 5.980 2.676 2.424 2.901 . 0 0 "[ . 1 . ]" 1 1064 1 57 ALA MB 1 77 ILE MG 5.910 . 6.410 2.856 2.605 3.146 . 0 0 "[ . 1 . ]" 1 1065 1 58 TYR H 1 58 TYR HB2 3.210 . 3.710 2.501 2.461 2.558 . 0 0 "[ . 1 . ]" 1 1066 1 58 TYR H 1 58 TYR HB3 3.210 . 3.710 2.420 2.404 2.448 . 0 0 "[ . 1 . ]" 1 1067 1 58 TYR HA 1 58 TYR QD 3.470 . 3.970 2.592 2.440 2.677 . 0 0 "[ . 1 . ]" 1 1068 1 58 TYR HA 1 61 LEU H 4.090 . 4.590 3.775 3.677 3.896 . 0 0 "[ . 1 . ]" 1 1069 1 58 TYR HA 1 61 LEU HB2 3.980 . 4.480 3.668 3.528 3.846 . 0 0 "[ . 1 . ]" 1 1070 1 58 TYR HA 1 61 LEU HB3 4.240 . 4.740 3.132 2.950 3.371 . 0 0 "[ . 1 . ]" 1 1071 1 58 TYR HA 1 61 LEU MD1 4.920 . 5.420 3.521 3.355 3.718 . 0 0 "[ . 1 . ]" 1 1072 1 58 TYR HB2 1 59 ARG H 3.870 . 4.370 3.946 3.926 3.972 . 0 0 "[ . 1 . ]" 1 1073 1 58 TYR HB2 1 59 ARG QD 7.020 . 7.520 6.310 6.284 6.351 . 0 0 "[ . 1 . ]" 1 1074 1 58 TYR QD 1 59 ARG H 4.000 . 4.500 3.618 3.591 3.655 . 0 0 "[ . 1 . ]" 1 1075 1 58 TYR QD 1 59 ARG HA 4.550 . 5.050 3.838 3.660 4.039 . 0 0 "[ . 1 . ]" 1 1076 1 58 TYR QD 1 59 ARG HG3 6.510 . 7.010 5.820 5.760 5.881 . 0 0 "[ . 1 . ]" 1 1077 1 59 ARG H 1 59 ARG HG2 3.910 . 4.410 1.902 1.832 1.990 . 0 0 "[ . 1 . ]" 1 1078 1 59 ARG H 1 59 ARG HG3 3.880 . 4.380 3.180 3.062 3.268 . 0 0 "[ . 1 . ]" 1 1079 1 59 ARG H 1 59 ARG QB 3.480 . 3.980 2.688 2.636 2.749 . 0 0 "[ . 1 . ]" 1 1080 1 59 ARG H 1 59 ARG QD 4.860 . 5.360 3.630 3.566 3.701 . 0 0 "[ . 1 . ]" 1 1081 1 59 ARG H 1 60 ALA H 3.420 . 3.920 2.450 2.414 2.500 . 0 0 "[ . 1 . ]" 1 1082 1 59 ARG H 1 60 ALA MB 5.450 . 5.950 4.096 4.052 4.148 . 0 0 "[ . 1 . ]" 1 1083 1 59 ARG HA 1 59 ARG HG3 3.960 . 4.460 3.804 3.768 3.869 . 0 0 "[ . 1 . ]" 1 1084 1 59 ARG HG2 1 60 ALA HA 5.150 . 5.650 5.167 5.109 5.244 . 0 0 "[ . 1 . ]" 1 1085 1 59 ARG HG2 1 60 ALA MB 5.480 . 5.980 3.941 3.850 4.067 . 0 0 "[ . 1 . ]" 1 1086 1 59 ARG HG3 1 60 ALA H 4.360 . 4.860 3.351 3.124 3.540 . 0 0 "[ . 1 . ]" 1 1087 1 59 ARG HG3 1 60 ALA HA 4.570 . 5.070 4.128 4.014 4.344 . 0 0 "[ . 1 . ]" 1 1088 1 59 ARG HG3 1 60 ALA MB 4.560 . 5.060 3.240 3.036 3.470 . 0 0 "[ . 1 . ]" 1 1089 1 59 ARG QB 1 60 ALA H 4.320 . 4.820 3.867 3.826 3.897 . 0 0 "[ . 1 . ]" 1 1090 1 59 ARG QB 1 60 ALA HA 5.120 . 5.620 4.615 4.569 4.656 . 0 0 "[ . 1 . ]" 1 1091 1 59 ARG QB 1 60 ALA MB 6.390 . 6.890 4.505 4.421 4.605 . 0 0 "[ . 1 . ]" 1 1092 1 60 ALA HA 1 62 ASP H 4.310 . 4.810 3.702 3.584 3.848 . 0 0 "[ . 1 . ]" 1 1093 1 60 ALA HA 1 63 SER H 4.450 . 4.950 3.726 3.555 3.943 . 0 0 "[ . 1 . ]" 1 1094 1 60 ALA MB 1 61 LEU HA 5.450 . 5.950 4.038 4.017 4.062 . 0 0 "[ . 1 . ]" 1 1095 1 60 ALA MB 1 63 SER H 6.060 . 6.560 4.352 4.255 4.572 . 0 0 "[ . 1 . ]" 1 1096 1 60 ALA MB 1 73 TRP HE1 6.160 . 6.660 4.450 4.282 4.707 . 0 0 "[ . 1 . ]" 1 1097 1 60 ALA MB 1 73 TRP HH2 4.420 . 4.920 2.609 2.432 2.766 . 0 0 "[ . 1 . ]" 1 1098 1 60 ALA MB 1 73 TRP HZ2 3.350 . 3.850 2.373 2.221 2.614 . 0 0 "[ . 1 . ]" 1 1099 1 61 LEU H 1 61 LEU HB2 2.890 . 3.390 2.632 2.598 2.686 . 0 0 "[ . 1 . ]" 1 1100 1 61 LEU H 1 61 LEU HB3 3.220 . 3.720 2.276 2.231 2.320 . 0 0 "[ . 1 . ]" 1 1101 1 61 LEU H 1 61 LEU MD1 5.080 . 5.580 4.175 4.143 4.200 . 0 0 "[ . 1 . ]" 1 1102 1 61 LEU H 1 61 LEU MD2 5.340 . 5.840 3.957 3.885 4.004 . 0 0 "[ . 1 . ]" 1 1103 1 61 LEU H 1 62 ASP H 3.470 . 3.970 2.536 2.486 2.566 . 0 0 "[ . 1 . ]" 1 1104 1 61 LEU H 1 73 TRP HH2 3.690 . 4.190 3.035 2.963 3.131 . 0 0 "[ . 1 . ]" 1 1105 1 61 LEU H 1 73 TRP HZ2 4.900 . 5.400 4.674 4.545 4.764 . 0 0 "[ . 1 . ]" 1 1106 1 61 LEU HA 1 61 LEU MD1 4.280 . 4.780 3.560 3.520 3.593 . 0 0 "[ . 1 . ]" 1 1107 1 61 LEU HA 1 61 LEU MD2 4.470 . 4.970 3.500 3.452 3.522 . 0 0 "[ . 1 . ]" 1 1108 1 61 LEU HA 1 64 PHE H 3.840 . 4.340 3.135 2.993 3.281 . 0 0 "[ . 1 . ]" 1 1109 1 61 LEU HA 1 64 PHE HB2 3.450 . 3.950 2.371 2.213 2.491 . 0 0 "[ . 1 . ]" 1 1110 1 61 LEU HA 1 64 PHE HB3 4.460 . 4.960 3.521 3.262 3.836 . 0 0 "[ . 1 . ]" 1 1111 1 61 LEU HA 1 73 TRP HH2 3.590 . 4.090 2.537 2.430 2.697 . 0 0 "[ . 1 . ]" 1 1112 1 61 LEU HA 1 73 TRP HZ2 4.500 . 5.000 3.677 3.560 3.757 . 0 0 "[ . 1 . ]" 1 1113 1 61 LEU HA 1 73 TRP HZ3 4.540 . 5.040 3.640 3.553 3.804 . 0 0 "[ . 1 . ]" 1 1114 1 61 LEU HB2 1 62 ASP H 4.420 . 4.920 4.267 4.220 4.308 . 0 0 "[ . 1 . ]" 1 1115 1 61 LEU HB3 1 62 ASP H 3.800 . 4.300 3.220 3.144 3.296 . 0 0 "[ . 1 . ]" 1 1116 1 61 LEU MD1 1 64 PHE HB3 6.050 . 6.550 4.740 4.492 5.033 . 0 0 "[ . 1 . ]" 1 1117 1 61 LEU MD1 1 70 PHE HZ 4.940 . 5.440 2.642 2.497 2.885 . 0 0 "[ . 1 . ]" 1 1118 1 61 LEU MD1 1 70 PHE QE 4.580 . 5.080 2.204 2.149 2.300 . 0 0 "[ . 1 . ]" 1 1119 1 61 LEU MD1 1 73 TRP HH2 4.710 . 5.210 4.010 3.979 4.038 . 0 0 "[ . 1 . ]" 1 1120 1 61 LEU MD1 1 73 TRP HZ3 4.050 . 4.550 2.827 2.727 2.952 . 0 0 "[ . 1 . ]" 1 1121 1 61 LEU MD2 1 62 ASP HA 5.910 . 6.410 3.031 2.885 3.129 . 0 0 "[ . 1 . ]" 1 1122 1 61 LEU MD2 1 64 PHE HB3 5.210 . 5.710 4.001 3.872 4.193 . 0 0 "[ . 1 . ]" 1 1123 1 62 ASP H 1 62 ASP QB 3.360 . 3.860 2.239 2.191 2.539 . 0 0 "[ . 1 . ]" 1 1124 1 62 ASP H 1 63 SER H 3.340 . 3.840 2.566 2.522 2.622 . 0 0 "[ . 1 . ]" 1 1125 1 62 ASP H 1 64 PHE H 4.570 . 5.070 4.101 4.017 4.171 . 0 0 "[ . 1 . ]" 1 1126 1 62 ASP HA 1 64 PHE H 4.350 . 4.850 3.777 3.705 3.887 . 0 0 "[ . 1 . ]" 1 1127 1 62 ASP QB 1 63 SER H 4.190 . 4.690 3.284 3.196 3.834 . 0 0 "[ . 1 . ]" 1 1128 1 63 SER H 1 63 SER HB2 3.640 . 4.140 2.644 2.528 3.735 . 0 0 "[ . 1 . ]" 1 1129 1 63 SER H 1 63 SER HB3 3.680 . 4.180 3.630 2.640 3.739 . 0 0 "[ . 1 . ]" 1 1130 1 63 SER H 1 64 PHE H 3.150 . 3.650 2.241 2.129 2.351 . 0 0 "[ . 1 . ]" 1 1131 1 63 SER H 1 64 PHE HA 4.820 . 5.320 4.506 4.456 4.572 . 0 0 "[ . 1 . ]" 1 1132 1 63 SER HB2 1 64 PHE H 4.520 . 5.020 3.868 3.694 4.449 . 0 0 "[ . 1 . ]" 1 1133 1 63 SER HB3 1 64 PHE H 4.520 . 5.020 4.409 3.698 4.537 . 0 0 "[ . 1 . ]" 1 1134 1 64 PHE H 1 64 PHE HB2 3.320 . 3.820 2.513 2.470 2.562 . 0 0 "[ . 1 . ]" 1 1135 1 64 PHE H 1 64 PHE HB3 3.490 . 3.990 2.416 2.385 2.455 . 0 0 "[ . 1 . ]" 1 1136 1 64 PHE HA 1 64 PHE QE 5.220 . 5.720 4.528 4.461 4.601 . 0 0 "[ . 1 . ]" 1 1137 1 64 PHE HA 1 65 ARG H 3.450 . 3.950 2.201 2.184 2.215 . 0 0 "[ . 1 . ]" 1 1138 1 64 PHE HZ 1 66 GLY HA2 5.500 . 6.000 2.673 2.640 2.720 . 0 0 "[ . 1 . ]" 1 1139 1 64 PHE HZ 1 66 GLY HA3 4.350 . 4.850 4.385 4.358 4.426 . 0 0 "[ . 1 . ]" 1 1140 1 64 PHE HZ 1 70 PHE HA 4.010 . 4.510 2.644 2.530 2.765 . 0 0 "[ . 1 . ]" 1 1141 1 64 PHE HZ 1 73 TRP HB2 4.220 . 4.720 4.223 4.174 4.252 . 0 0 "[ . 1 . ]" 1 1142 1 64 PHE QD 1 73 TRP HB2 5.340 . 5.840 3.828 3.607 3.997 . 0 0 "[ . 1 . ]" 1 1143 1 64 PHE QE 1 66 GLY HA2 5.190 . 5.690 2.714 2.571 2.874 . 0 0 "[ . 1 . ]" 1 1144 1 64 PHE QE 1 70 PHE HA 4.820 . 5.320 3.323 3.192 3.432 . 0 0 "[ . 1 . ]" 1 1145 1 64 PHE QE 1 70 PHE QD 4.380 . 4.880 3.402 3.228 3.511 . 0 0 "[ . 1 . ]" 1 1146 1 64 PHE QE 1 73 TRP HB2 4.270 . 4.770 2.251 2.187 2.335 . 0 0 "[ . 1 . ]" 1 1147 1 64 PHE QE 1 73 TRP HB3 4.290 . 4.790 2.738 2.641 2.887 . 0 0 "[ . 1 . ]" 1 1148 1 64 PHE QE 1 73 TRP HD1 4.380 . 4.880 3.915 3.851 3.957 . 0 0 "[ . 1 . ]" 1 1149 1 65 ARG H 1 65 ARG HB3 4.090 . 4.590 3.606 2.725 3.678 . 0 0 "[ . 1 . ]" 1 1150 1 65 ARG H 1 65 ARG HG2 4.140 . 4.640 3.502 2.193 3.984 . 0 0 "[ . 1 . ]" 1 1151 1 65 ARG H 1 65 ARG HG3 4.540 . 5.040 2.769 2.463 3.893 . 0 0 "[ . 1 . ]" 1 1152 1 65 ARG H 1 66 GLY H 4.060 . 4.560 2.257 2.217 2.329 . 0 0 "[ . 1 . ]" 1 1153 1 65 ARG H 1 67 ASP H 4.650 . 5.150 3.689 3.616 3.866 . 0 0 "[ . 1 . ]" 1 1154 1 65 ARG HA 1 65 ARG HG2 3.990 . 4.490 2.660 2.447 3.679 . 0 0 "[ . 1 . ]" 1 1155 1 65 ARG HA 1 65 ARG HG3 4.250 . 4.750 3.185 2.808 3.836 . 0 0 "[ . 1 . ]" 1 1156 1 65 ARG HB2 1 65 ARG HE 4.530 . 5.030 3.281 2.310 4.668 . 0 0 "[ . 1 . ]" 1 1157 1 65 ARG HB3 1 65 ARG HE 4.960 . 5.460 3.514 2.477 4.474 . 0 0 "[ . 1 . ]" 1 1158 1 66 GLY H 1 67 ASP H 3.460 . 3.960 2.481 2.420 2.545 . 0 0 "[ . 1 . ]" 1 1159 1 66 GLY H 1 68 SER H 4.580 . 5.080 3.966 3.919 4.048 . 0 0 "[ . 1 . ]" 1 1160 1 66 GLY HA2 1 68 SER H 4.290 . 4.790 3.037 2.955 3.106 . 0 0 "[ . 1 . ]" 1 1161 1 66 GLY HA3 1 68 SER H 4.670 . 5.170 4.175 4.111 4.233 . 0 0 "[ . 1 . ]" 1 1162 1 67 ASP H 1 67 ASP HB2 3.920 . 4.420 2.258 2.224 2.297 . 0 0 "[ . 1 . ]" 1 1163 1 67 ASP H 1 67 ASP HB3 3.610 . 4.110 3.531 3.520 3.549 . 0 0 "[ . 1 . ]" 1 1164 1 67 ASP H 1 68 SER H 3.340 . 3.840 2.626 2.590 2.640 . 0 0 "[ . 1 . ]" 1 1165 1 67 ASP HB2 1 68 SER HB2 5.400 . 5.900 4.418 4.313 4.489 . 0 0 "[ . 1 . ]" 1 1166 1 67 ASP HB3 1 68 SER H 4.490 . 4.990 4.087 4.059 4.114 . 0 0 "[ . 1 . ]" 1 1167 1 68 SER H 1 69 ALA H 4.320 . 4.820 4.362 4.356 4.371 . 0 0 "[ . 1 . ]" 1 1168 1 68 SER HA 1 69 ALA H 3.520 . 4.020 2.516 2.494 2.552 . 0 0 "[ . 1 . ]" 1 1169 1 68 SER HB2 1 69 ALA H 3.650 . 4.150 3.747 3.735 3.760 . 0 0 "[ . 1 . ]" 1 1170 1 68 SER HB2 1 72 THR HB 4.100 . 4.600 3.974 3.897 4.087 . 0 0 "[ . 1 . ]" 1 1171 1 68 SER HB2 1 72 THR MG 4.170 . 4.670 3.495 3.389 3.562 . 0 0 "[ . 1 . ]" 1 1172 1 68 SER HB3 1 69 ALA H 4.010 . 4.510 3.525 3.487 3.557 . 0 0 "[ . 1 . ]" 1 1173 1 68 SER HB3 1 69 ALA MB 6.180 . 6.680 4.738 4.690 4.791 . 0 0 "[ . 1 . ]" 1 1174 1 68 SER HB3 1 72 THR MG 5.160 . 5.660 3.332 3.166 3.431 . 0 0 "[ . 1 . ]" 1 1175 1 69 ALA H 1 72 THR HB 4.440 . 4.940 3.726 3.522 3.843 . 0 0 "[ . 1 . ]" 1 1176 1 69 ALA H 1 72 THR MG 5.300 . 5.800 4.251 4.150 4.335 . 0 0 "[ . 1 . ]" 1 1177 1 69 ALA HA 1 70 PHE H 3.330 . 3.830 2.387 2.349 2.408 . 0 0 "[ . 1 . ]" 1 1178 1 69 ALA MB 1 70 PHE H 4.880 . 5.380 2.627 2.593 2.673 . 0 0 "[ . 1 . ]" 1 1179 1 69 ALA MB 1 71 TYR H 5.030 . 5.530 2.896 2.814 2.943 . 0 0 "[ . 1 . ]" 1 1180 1 69 ALA MB 1 71 TYR HB2 5.430 . 5.930 4.432 4.175 4.539 . 0 0 "[ . 1 . ]" 1 1181 1 69 ALA MB 1 72 THR H 4.140 . 4.640 2.930 2.833 2.996 . 0 0 "[ . 1 . ]" 1 1182 1 69 ALA MB 1 72 THR HB 5.090 . 5.590 3.708 3.468 3.823 . 0 0 "[ . 1 . ]" 1 1183 1 69 ALA MB 1 72 THR MG 6.790 . 7.290 4.240 4.144 4.312 . 0 0 "[ . 1 . ]" 1 1184 1 69 ALA MB 1 73 TRP H 5.760 . 6.260 4.754 4.651 4.816 . 0 0 "[ . 1 . ]" 1 1185 1 70 PHE H 1 70 PHE HB2 3.720 . 4.220 2.520 2.496 2.567 . 0 0 "[ . 1 . ]" 1 1186 1 70 PHE H 1 70 PHE HB3 3.660 . 4.160 2.470 2.414 2.514 . 0 0 "[ . 1 . ]" 1 1187 1 70 PHE H 1 70 PHE QD 4.980 . 5.480 4.178 4.171 4.193 . 0 0 "[ . 1 . ]" 1 1188 1 70 PHE HA 1 70 PHE QD 3.660 . 4.160 2.450 2.390 2.518 . 0 0 "[ . 1 . ]" 1 1189 1 70 PHE HA 1 73 TRP H 4.400 . 4.900 3.536 3.434 3.632 . 0 0 "[ . 1 . ]" 1 1190 1 70 PHE HA 1 73 TRP HB3 4.210 . 4.710 3.145 2.959 3.261 . 0 0 "[ . 1 . ]" 1 1191 1 70 PHE HB2 1 71 TYR H 4.280 . 4.780 4.115 4.034 4.149 . 0 0 "[ . 1 . ]" 1 1192 1 70 PHE HB3 1 71 TYR H 4.160 . 4.660 2.892 2.795 2.942 . 0 0 "[ . 1 . ]" 1 1193 1 70 PHE HZ 1 74 LEU MD1 4.240 . 4.740 3.559 3.525 3.580 . 0 0 "[ . 1 . ]" 1 1194 1 70 PHE QD 1 71 TYR H 4.500 . 5.000 3.981 3.911 4.025 . 0 0 "[ . 1 . ]" 1 1195 1 70 PHE QD 1 71 TYR HB3 6.320 . 6.820 5.590 5.544 5.643 . 0 0 "[ . 1 . ]" 1 1196 1 70 PHE QE 1 73 TRP HE3 3.850 . 4.350 2.695 2.567 2.802 . 0 0 "[ . 1 . ]" 1 1197 1 70 PHE QE 1 73 TRP HZ3 3.700 . 4.200 2.302 2.171 2.514 . 0 0 "[ . 1 . ]" 1 1198 1 70 PHE QE 1 74 LEU MD1 4.290 . 4.790 2.241 2.161 2.367 . 0 0 "[ . 1 . ]" 1 1199 1 70 PHE QE 1 74 LEU MD2 6.280 . 6.780 4.513 4.294 4.664 . 0 0 "[ . 1 . ]" 1 1200 1 71 TYR H 1 71 TYR HB2 3.380 . 3.880 2.526 2.442 2.570 . 0 0 "[ . 1 . ]" 1 1201 1 71 TYR H 1 71 TYR HB3 3.620 . 4.120 2.555 2.464 2.657 . 0 0 "[ . 1 . ]" 1 1202 1 71 TYR H 1 72 THR H 3.600 . 4.100 2.590 2.562 2.618 . 0 0 "[ . 1 . ]" 1 1203 1 71 TYR H 1 73 TRP H 4.700 . 5.200 4.208 4.126 4.277 . 0 0 "[ . 1 . ]" 1 1204 1 71 TYR HA 1 71 TYR QD 3.310 . 3.810 2.669 2.491 2.894 . 0 0 "[ . 1 . ]" 1 1205 1 71 TYR HA 1 71 TYR QE 5.130 . 5.630 4.523 4.413 4.660 . 0 0 "[ . 1 . ]" 1 1206 1 71 TYR HA 1 74 LEU H 4.020 . 4.520 2.949 2.805 3.124 . 0 0 "[ . 1 . ]" 1 1207 1 71 TYR HA 1 74 LEU HB2 4.370 . 4.870 2.528 2.418 2.647 . 0 0 "[ . 1 . ]" 1 1208 1 71 TYR HA 1 74 LEU HB3 3.830 . 4.330 2.519 2.389 2.729 . 0 0 "[ . 1 . ]" 1 1209 1 71 TYR HA 1 74 LEU HG 4.690 . 5.190 4.730 4.632 4.817 . 0 0 "[ . 1 . ]" 1 1210 1 71 TYR HA 1 74 LEU MD1 5.140 . 5.640 3.181 3.086 3.297 . 0 0 "[ . 1 . ]" 1 1211 1 71 TYR HA 1 75 TYR H 4.370 . 4.870 3.649 3.488 3.941 . 0 0 "[ . 1 . ]" 1 1212 1 71 TYR QD 1 74 LEU HB3 4.680 . 5.180 3.393 3.026 4.144 . 0 0 "[ . 1 . ]" 1 1213 1 71 TYR QD 1 74 LEU MD1 5.370 . 5.870 2.882 2.456 3.556 . 0 0 "[ . 1 . ]" 1 1214 1 71 TYR QD 1 75 TYR H 5.120 . 5.620 4.404 4.209 4.586 . 0 0 "[ . 1 . ]" 1 1215 1 71 TYR QD 1 75 TYR HB3 5.160 . 5.660 4.589 4.402 4.670 . 0 0 "[ . 1 . ]" 1 1216 1 71 TYR QE 1 75 TYR H 5.890 . 6.390 4.964 4.639 5.303 . 0 0 "[ . 1 . ]" 1 1217 1 72 THR H 1 72 THR HB 3.380 . 3.880 2.587 2.504 2.620 . 0 0 "[ . 1 . ]" 1 1218 1 72 THR H 1 73 TRP H 3.500 . 4.000 2.523 2.481 2.570 . 0 0 "[ . 1 . ]" 1 1219 1 72 THR H 1 74 LEU H 4.650 . 5.150 3.863 3.772 4.005 . 0 0 "[ . 1 . ]" 1 1220 1 72 THR HA 1 75 TYR H 4.370 . 4.870 3.666 3.496 3.791 . 0 0 "[ . 1 . ]" 1 1221 1 72 THR HA 1 75 TYR HB2 3.970 . 4.470 3.556 3.384 3.791 . 0 0 "[ . 1 . ]" 1 1222 1 72 THR HA 1 75 TYR HB3 4.600 . 5.100 3.058 2.796 3.229 . 0 0 "[ . 1 . ]" 1 1223 1 72 THR HB 1 73 TRP H 3.830 . 4.330 2.709 2.671 2.823 . 0 0 "[ . 1 . ]" 1 1224 1 72 THR MG 1 73 TRP H 5.440 . 5.940 3.796 3.770 3.824 . 0 0 "[ . 1 . ]" 1 1225 1 72 THR MG 1 73 TRP HA 5.660 . 6.160 3.935 3.895 3.991 . 0 0 "[ . 1 . ]" 1 1226 1 73 TRP H 1 73 TRP HB2 3.670 . 4.170 2.592 2.563 2.637 . 0 0 "[ . 1 . ]" 1 1227 1 73 TRP H 1 73 TRP HB3 3.550 . 4.050 2.319 2.294 2.357 . 0 0 "[ . 1 . ]" 1 1228 1 73 TRP H 1 74 LEU H 3.570 . 4.070 2.391 2.354 2.424 . 0 0 "[ . 1 . ]" 1 1229 1 73 TRP H 1 75 TYR H 4.570 . 5.070 3.933 3.840 4.074 . 0 0 "[ . 1 . ]" 1 1230 1 73 TRP H 1 76 ARG H 4.930 . 5.430 4.804 4.665 4.924 . 0 0 "[ . 1 . ]" 1 1231 1 73 TRP HA 1 73 TRP HD1 3.630 . 4.130 2.922 2.855 2.982 . 0 0 "[ . 1 . ]" 1 1232 1 73 TRP HA 1 76 ARG H 4.580 . 5.080 3.420 3.328 3.510 . 0 0 "[ . 1 . ]" 1 1233 1 73 TRP HB2 1 73 TRP HD1 3.810 . 4.310 2.746 2.730 2.760 . 0 0 "[ . 1 . ]" 1 1234 1 73 TRP HB2 1 74 LEU H 4.500 . 5.000 4.025 3.964 4.103 . 0 0 "[ . 1 . ]" 1 1235 1 73 TRP HB3 1 73 TRP HE3 3.070 . 3.570 2.545 2.524 2.565 . 0 0 "[ . 1 . ]" 1 1236 1 73 TRP HB3 1 74 LEU H 3.370 . 3.870 2.812 2.721 2.938 . 0 0 "[ . 1 . ]" 1 1237 1 73 TRP HE3 1 74 LEU H 4.270 . 4.770 3.626 3.510 3.812 . 0 0 "[ . 1 . ]" 1 1238 1 73 TRP HE3 1 77 ILE MD 4.770 . 5.270 3.674 3.588 3.866 . 0 0 "[ . 1 . ]" 1 1239 1 73 TRP HH2 1 77 ILE MD 5.800 . 6.300 3.228 3.097 3.316 . 0 0 "[ . 1 . ]" 1 1240 1 73 TRP HZ2 1 77 ILE MD 5.440 . 5.940 2.787 2.673 2.923 . 0 0 "[ . 1 . ]" 1 1241 1 73 TRP HZ3 1 77 ILE MD 5.920 . 6.420 3.510 3.345 3.633 . 0 0 "[ . 1 . ]" 1 1242 1 74 LEU H 1 74 LEU HB2 3.510 . 4.010 2.163 2.129 2.219 . 0 0 "[ . 1 . ]" 1 1243 1 74 LEU H 1 74 LEU HB3 3.580 . 4.080 2.794 2.754 2.842 . 0 0 "[ . 1 . ]" 1 1244 1 74 LEU H 1 74 LEU HG 4.890 . 5.390 4.148 4.089 4.218 . 0 0 "[ . 1 . ]" 1 1245 1 74 LEU H 1 74 LEU MD2 5.220 . 5.720 4.268 4.251 4.283 . 0 0 "[ . 1 . ]" 1 1246 1 74 LEU H 1 75 TYR H 3.630 . 4.130 2.514 2.480 2.565 . 0 0 "[ . 1 . ]" 1 1247 1 74 LEU H 1 76 ARG H 4.590 . 5.090 4.073 3.804 4.303 . 0 0 "[ . 1 . ]" 1 1248 1 74 LEU HA 1 74 LEU MD2 4.100 . 4.600 2.370 2.242 2.451 . 0 0 "[ . 1 . ]" 1 1249 1 74 LEU HA 1 77 ILE H 4.080 . 4.580 3.465 3.364 3.738 . 0 0 "[ . 1 . ]" 1 1250 1 74 LEU HA 1 77 ILE HB 3.560 . 4.060 2.947 2.809 3.237 . 0 0 "[ . 1 . ]" 1 1251 1 74 LEU HA 1 77 ILE HG13 4.800 . 5.300 3.929 3.721 4.131 . 0 0 "[ . 1 . ]" 1 1252 1 74 LEU HA 1 77 ILE MD 4.700 . 5.200 3.167 2.920 3.398 . 0 0 "[ . 1 . ]" 1 1253 1 74 LEU HA 1 77 ILE MG 5.690 . 6.190 4.314 4.188 4.546 . 0 0 "[ . 1 . ]" 1 1254 1 74 LEU HB2 1 75 TYR H 4.270 . 4.770 3.595 3.545 3.646 . 0 0 "[ . 1 . ]" 1 1255 1 74 LEU HB3 1 75 TYR H 3.990 . 4.490 2.718 2.575 2.826 . 0 0 "[ . 1 . ]" 1 1256 1 74 LEU MD1 1 75 TYR H 6.260 . 6.760 4.589 4.464 4.708 . 0 0 "[ . 1 . ]" 1 1257 1 74 LEU MD2 1 75 TYR H 5.930 . 6.430 3.959 3.823 4.059 . 0 0 "[ . 1 . ]" 1 1258 1 74 LEU MD2 1 77 ILE HB 5.210 . 5.710 3.189 2.950 3.401 . 0 0 "[ . 1 . ]" 1 1259 1 74 LEU MD2 1 77 ILE MD 6.400 . 6.900 4.021 3.742 4.261 . 0 0 "[ . 1 . ]" 1 1260 1 74 LEU MD2 1 78 ALA H 5.760 . 6.260 3.484 3.316 3.737 . 0 0 "[ . 1 . ]" 1 1261 1 75 TYR H 1 75 TYR HB2 3.340 . 3.840 2.360 2.309 2.410 . 0 0 "[ . 1 . ]" 1 1262 1 75 TYR H 1 75 TYR HB3 3.360 . 3.860 2.490 2.456 2.550 . 0 0 "[ . 1 . ]" 1 1263 1 75 TYR H 1 75 TYR QD 4.830 . 5.330 4.150 4.131 4.167 . 0 0 "[ . 1 . ]" 1 1264 1 75 TYR H 1 76 ARG H 3.750 . 4.250 2.660 2.572 2.742 . 0 0 "[ . 1 . ]" 1 1265 1 75 TYR HA 1 75 TYR QD 4.130 . 4.630 3.203 3.167 3.237 . 0 0 "[ . 1 . ]" 1 1266 1 75 TYR HA 1 78 ALA MB 4.590 . 5.090 2.672 2.549 2.896 . 0 0 "[ . 1 . ]" 1 1267 1 75 TYR HB2 1 76 ARG H 3.950 . 4.450 3.853 3.802 3.905 . 0 0 "[ . 1 . ]" 1 1268 1 75 TYR HB3 1 76 ARG H 4.600 . 5.100 2.624 2.570 2.682 . 0 0 "[ . 1 . ]" 1 1269 1 75 TYR QD 1 76 ARG H 4.020 . 4.520 3.570 3.413 3.650 . 0 0 "[ . 1 . ]" 1 1270 1 75 TYR QD 1 76 ARG HA 3.640 . 4.140 2.978 2.848 3.061 . 0 0 "[ . 1 . ]" 1 1271 1 75 TYR QD 1 79 VAL MG1 5.780 . 6.280 2.953 2.747 3.148 . 0 0 "[ . 1 . ]" 1 1272 1 75 TYR QD 1 79 VAL QG 5.190 . 5.690 2.925 2.718 3.118 . 0 0 "[ . 1 . ]" 1 1273 1 75 TYR QE 1 76 ARG HA 5.410 . 5.910 4.793 4.533 4.902 . 0 0 "[ . 1 . ]" 1 1274 1 75 TYR QE 1 79 VAL MG1 5.430 . 5.930 3.166 2.942 3.270 . 0 0 "[ . 1 . ]" 1 1275 1 75 TYR QE 1 79 VAL MG2 7.050 . 7.550 3.812 3.281 4.148 . 0 0 "[ . 1 . ]" 1 1276 1 75 TYR QE 1 79 VAL QG 4.680 . 5.180 3.017 2.744 3.101 . 0 0 "[ . 1 . ]" 1 1277 1 76 ARG H 1 76 ARG HB2 3.710 . 4.210 2.447 2.363 2.712 . 0 0 "[ . 1 . ]" 1 1278 1 76 ARG H 1 76 ARG HB3 3.660 . 4.160 2.903 2.382 3.641 . 0 0 "[ . 1 . ]" 1 1279 1 76 ARG H 1 77 ILE H 3.680 . 4.180 2.666 2.625 2.739 . 0 0 "[ . 1 . ]" 1 1280 1 76 ARG H 1 77 ILE HA 5.480 . 5.980 5.299 5.269 5.350 . 0 0 "[ . 1 . ]" 1 1281 1 76 ARG H 1 78 ALA H 4.760 . 5.260 4.083 3.972 4.222 . 0 0 "[ . 1 . ]" 1 1282 1 76 ARG HA 1 76 ARG HD2 4.500 . 5.000 2.853 2.043 3.685 . 0 0 "[ . 1 . ]" 1 1283 1 76 ARG HA 1 76 ARG HD3 3.800 . 4.300 2.575 2.015 3.874 . 0 0 "[ . 1 . ]" 1 1284 1 76 ARG HA 1 79 VAL H 4.290 . 4.790 3.793 3.717 3.920 . 0 0 "[ . 1 . ]" 1 1285 1 76 ARG HA 1 79 VAL HB 4.980 . 5.480 4.658 4.514 4.874 . 0 0 "[ . 1 . ]" 1 1286 1 76 ARG HA 1 79 VAL MG1 5.030 . 5.530 2.314 2.205 2.420 . 0 0 "[ . 1 . ]" 1 1287 1 76 ARG HB3 1 77 ILE H 4.300 . 4.800 3.118 2.636 3.833 . 0 0 "[ . 1 . ]" 1 1288 1 77 ILE H 1 77 ILE HB 3.530 . 4.030 2.359 2.310 2.398 . 0 0 "[ . 1 . ]" 1 1289 1 77 ILE H 1 77 ILE HG12 4.060 . 4.560 3.586 3.471 3.701 . 0 0 "[ . 1 . ]" 1 1290 1 77 ILE H 1 77 ILE HG13 3.650 . 4.150 2.388 2.282 2.524 . 0 0 "[ . 1 . ]" 1 1291 1 77 ILE H 1 77 ILE MD 5.020 . 5.520 3.685 3.637 3.741 . 0 0 "[ . 1 . ]" 1 1292 1 77 ILE H 1 78 ALA H 3.420 . 3.920 2.527 2.464 2.602 . 0 0 "[ . 1 . ]" 1 1293 1 77 ILE HA 1 77 ILE HG12 3.800 . 4.300 2.397 2.351 2.430 . 0 0 "[ . 1 . ]" 1 1294 1 77 ILE HA 1 77 ILE HG13 4.020 . 4.520 2.945 2.877 3.017 . 0 0 "[ . 1 . ]" 1 1295 1 77 ILE HA 1 80 ASN HB2 3.910 . 4.410 2.918 2.629 3.929 . 0 0 "[ . 1 . ]" 1 1296 1 77 ILE HA 1 80 ASN HB3 4.200 . 4.700 4.038 2.775 4.390 . 0 0 "[ . 1 . ]" 1 1297 1 77 ILE HB 1 78 ALA H 3.530 . 4.030 2.864 2.800 2.939 . 0 0 "[ . 1 . ]" 1 1298 1 77 ILE MG 1 78 ALA H 5.130 . 5.630 3.483 3.414 3.533 . 0 0 "[ . 1 . ]" 1 1299 1 77 ILE MG 1 78 ALA HA 5.360 . 5.860 3.277 3.187 3.324 . 0 0 "[ . 1 . ]" 1 1300 1 77 ILE MG 1 78 ALA MB 6.890 . 7.390 3.945 3.888 4.033 . 0 0 "[ . 1 . ]" 1 1301 1 77 ILE MG 1 81 THR H 5.420 . 5.920 4.001 3.917 4.083 . 0 0 "[ . 1 . ]" 1 1302 1 77 ILE MG 1 81 THR MG 7.400 . 7.900 3.902 3.765 4.016 . 0 0 "[ . 1 . ]" 1 1303 1 78 ALA H 1 79 VAL H 3.470 . 3.970 2.696 2.644 2.728 . 0 0 "[ . 1 . ]" 1 1304 1 78 ALA HA 1 81 THR H 4.480 . 4.980 3.402 3.318 3.523 . 0 0 "[ . 1 . ]" 1 1305 1 78 ALA HA 1 81 THR HB 3.590 . 4.090 2.716 2.577 2.835 . 0 0 "[ . 1 . ]" 1 1306 1 78 ALA HA 1 81 THR MG 4.920 . 5.420 4.074 3.961 4.136 . 0 0 "[ . 1 . ]" 1 1307 1 78 ALA HA 1 82 ALA H 4.450 . 4.950 4.093 3.867 4.307 . 0 0 "[ . 1 . ]" 1 1308 1 78 ALA MB 1 79 VAL H 4.280 . 4.780 2.624 2.566 2.681 . 0 0 "[ . 1 . ]" 1 1309 1 78 ALA MB 1 79 VAL HA 5.520 . 6.020 3.912 3.872 3.944 . 0 0 "[ . 1 . ]" 1 1310 1 78 ALA MB 1 79 VAL MG1 6.390 . 6.890 3.903 3.743 4.079 . 0 0 "[ . 1 . ]" 1 1311 1 79 VAL H 1 79 VAL HB 3.580 . 4.080 2.665 2.573 2.763 . 0 0 "[ . 1 . ]" 1 1312 1 79 VAL H 1 79 VAL MG1 3.960 . 4.460 1.933 1.848 2.065 . 0 0 "[ . 1 . ]" 1 1313 1 79 VAL H 1 80 ASN H 3.330 . 3.830 2.505 2.450 2.549 . 0 0 "[ . 1 . ]" 1 1314 1 79 VAL H 1 81 THR H 4.860 . 5.360 3.911 3.858 3.978 . 0 0 "[ . 1 . ]" 1 1315 1 79 VAL H 1 82 ALA MB 6.110 . 6.610 5.003 4.867 5.095 . 0 0 "[ . 1 . ]" 1 1316 1 79 VAL HA 1 81 THR H 4.480 . 4.980 4.113 3.999 4.262 . 0 0 "[ . 1 . ]" 1 1317 1 79 VAL HA 1 82 ALA H 4.200 . 4.700 3.481 3.354 3.609 . 0 0 "[ . 1 . ]" 1 1318 1 79 VAL HA 1 82 ALA MB 4.420 . 4.920 2.896 2.766 3.045 . 0 0 "[ . 1 . ]" 1 1319 1 79 VAL HB 1 80 ASN H 4.070 . 4.570 4.103 4.068 4.137 . 0 0 "[ . 1 . ]" 1 1320 1 79 VAL MG1 1 80 ASN H 5.130 . 5.630 2.329 2.251 2.456 . 0 0 "[ . 1 . ]" 1 1321 1 79 VAL MG2 1 80 ASN H 5.380 . 5.880 3.686 3.563 3.919 . 0 0 "[ . 1 . ]" 1 1322 1 79 VAL MG2 1 80 ASN HA 5.720 . 6.220 3.633 3.477 3.919 . 0 0 "[ . 1 . ]" 1 1323 1 79 VAL MG2 1 80 ASN HB2 5.940 . 6.440 5.010 4.650 5.116 . 0 0 "[ . 1 . ]" 1 1324 1 79 VAL MG2 1 82 ALA MB 6.920 . 7.420 3.810 3.615 3.980 . 0 0 "[ . 1 . ]" 1 1325 1 79 VAL MG2 1 83 LYS HB3 5.580 . 6.080 4.284 3.883 4.772 . 0 0 "[ . 1 . ]" 1 1326 1 79 VAL MG2 1 83 LYS HE3 4.560 . 5.060 2.925 2.129 3.774 . 0 0 "[ . 1 . ]" 1 1327 1 79 VAL MG2 1 83 LYS QD 5.920 . 6.420 3.660 2.315 4.342 . 0 0 "[ . 1 . ]" 1 1328 1 79 VAL QG 1 80 ASN H 5.320 . 5.820 2.305 2.230 2.430 . 0 0 "[ . 1 . ]" 1 1329 1 79 VAL QG 1 83 LYS H 6.730 . 7.230 4.018 3.827 4.193 . 0 0 "[ . 1 . ]" 1 1330 1 80 ASN H 1 80 ASN HB2 3.640 . 4.140 2.295 2.234 2.482 . 0 0 "[ . 1 . ]" 1 1331 1 80 ASN H 1 80 ASN HB3 3.850 . 4.350 3.388 2.566 3.573 . 0 0 "[ . 1 . ]" 1 1332 1 80 ASN H 1 81 THR H 3.490 . 3.990 2.481 2.405 2.542 . 0 0 "[ . 1 . ]" 1 1333 1 80 ASN HA 1 83 LYS H 4.330 . 4.830 3.261 3.076 3.515 . 0 0 "[ . 1 . ]" 1 1334 1 80 ASN HA 1 83 LYS HB2 4.530 . 5.030 3.295 2.365 3.955 . 0 0 "[ . 1 . ]" 1 1335 1 80 ASN HA 1 83 LYS HB3 4.000 . 4.500 3.051 2.397 4.080 . 0 0 "[ . 1 . ]" 1 1336 1 80 ASN HA 1 83 LYS QD 5.420 . 5.920 3.951 3.297 4.762 . 0 0 "[ . 1 . ]" 1 1337 1 80 ASN HA 1 84 ASN H 4.300 . 4.800 3.761 3.566 3.936 . 0 0 "[ . 1 . ]" 1 1338 1 80 ASN HB2 1 81 THR H 4.750 . 5.250 3.389 3.156 4.079 . 0 0 "[ . 1 . ]" 1 1339 1 80 ASN HB3 1 81 THR H 4.580 . 5.080 3.834 2.959 4.040 . 0 0 "[ . 1 . ]" 1 1340 1 81 THR H 1 81 THR HB 3.520 . 4.020 2.396 2.370 2.418 . 0 0 "[ . 1 . ]" 1 1341 1 81 THR H 1 82 ALA H 3.490 . 3.990 2.439 2.348 2.592 . 0 0 "[ . 1 . ]" 1 1342 1 81 THR H 1 82 ALA MB 5.980 . 6.480 4.123 4.032 4.254 . 0 0 "[ . 1 . ]" 1 1343 1 81 THR HB 1 82 ALA H 3.530 . 4.030 2.725 2.692 2.786 . 0 0 "[ . 1 . ]" 1 1344 1 81 THR HB 1 82 ALA MB 5.700 . 6.200 3.939 3.889 4.069 . 0 0 "[ . 1 . ]" 1 1345 1 81 THR MG 1 82 ALA H 5.390 . 5.890 3.475 3.426 3.508 . 0 0 "[ . 1 . ]" 1 1346 1 81 THR MG 1 82 ALA HA 5.380 . 5.880 3.485 3.455 3.526 . 0 0 "[ . 1 . ]" 1 1347 1 81 THR MG 1 82 ALA MB 5.620 . 6.120 3.938 3.925 3.953 . 0 0 "[ . 1 . ]" 1 1348 1 81 THR MG 1 85 TYR H 5.560 . 6.060 4.510 4.424 4.596 . 0 0 "[ . 1 . ]" 1 1349 1 81 THR MG 1 85 TYR QD 7.100 . 7.600 5.082 4.751 5.230 . 0 0 "[ . 1 . ]" 1 1350 1 82 ALA H 1 83 LYS H 3.130 . 3.630 2.551 2.507 2.588 . 0 0 "[ . 1 . ]" 1 1351 1 82 ALA H 1 85 TYR H 4.740 . 5.240 4.760 4.685 4.818 . 0 0 "[ . 1 . ]" 1 1352 1 82 ALA HA 1 85 TYR H 4.420 . 4.920 3.441 3.300 3.539 . 0 0 "[ . 1 . ]" 1 1353 1 82 ALA HA 1 85 TYR HB2 3.970 . 4.470 3.366 3.138 3.517 . 0 0 "[ . 1 . ]" 1 1354 1 82 ALA HA 1 85 TYR HB3 3.690 . 4.190 2.724 2.581 2.833 . 0 0 "[ . 1 . ]" 1 1355 1 82 ALA HA 1 85 TYR QD 4.620 . 5.120 4.121 3.941 4.261 . 0 0 "[ . 1 . ]" 1 1356 1 82 ALA MB 1 83 LYS H 4.360 . 4.860 2.806 2.762 2.845 . 0 0 "[ . 1 . ]" 1 1357 1 82 ALA MB 1 85 TYR HB3 6.040 . 6.540 4.054 3.934 4.150 . 0 0 "[ . 1 . ]" 1 1358 1 82 ALA MB 1 86 LEU MD1 6.790 . 7.290 4.236 4.128 4.347 . 0 0 "[ . 1 . ]" 1 1359 1 83 LYS H 1 83 LYS HB2 4.030 . 4.530 2.463 2.271 2.558 . 0 0 "[ . 1 . ]" 1 1360 1 83 LYS H 1 83 LYS HB3 3.450 . 3.950 2.836 2.538 3.565 . 0 0 "[ . 1 . ]" 1 1361 1 83 LYS H 1 83 LYS QG 4.650 . 5.150 3.603 2.604 3.983 . 0 0 "[ . 1 . ]" 1 1362 1 83 LYS H 1 84 ASN H 3.890 . 4.390 2.437 2.389 2.525 . 0 0 "[ . 1 . ]" 1 1363 1 83 LYS H 1 84 ASN QB 5.250 . 5.750 4.284 4.142 4.478 . 0 0 "[ . 1 . ]" 1 1364 1 83 LYS HA 1 83 LYS QD 4.660 . 5.160 4.068 3.894 4.173 . 0 0 "[ . 1 . ]" 1 1365 1 83 LYS HA 1 86 LEU H 4.610 . 5.110 3.191 3.086 3.336 . 0 0 "[ . 1 . ]" 1 1366 1 83 LYS HA 1 86 LEU MD1 4.790 . 5.290 2.558 2.394 2.832 . 0 0 "[ . 1 . ]" 1 1367 1 83 LYS HB3 1 84 ASN H 4.140 . 4.640 3.140 2.804 3.826 . 0 0 "[ . 1 . ]" 1 1368 1 83 LYS QD 1 87 VAL MG1 7.060 . 7.560 4.961 4.677 5.343 . 0 0 "[ . 1 . ]" 1 1369 1 84 ASN H 1 84 ASN HD21 4.940 . 5.440 4.597 4.320 4.759 . 0 0 "[ . 1 . ]" 1 1370 1 84 ASN HA 1 87 VAL H 4.000 . 4.500 3.352 3.280 3.407 . 0 0 "[ . 1 . ]" 1 1371 1 84 ASN HA 1 87 VAL MG1 4.610 . 5.110 3.527 1.933 3.855 . 0 0 "[ . 1 . ]" 1 1372 1 84 ASN HA 1 87 VAL MG2 5.430 . 5.930 2.286 1.951 4.603 . 0 0 "[ . 1 . ]" 1 1373 1 84 ASN QB 1 85 TYR H 4.890 . 5.390 3.030 2.978 3.138 . 0 0 "[ . 1 . ]" 1 1374 1 85 TYR H 1 85 TYR HB2 3.730 . 4.230 2.656 2.606 2.764 . 0 0 "[ . 1 . ]" 1 1375 1 85 TYR H 1 85 TYR QD 4.590 . 5.090 4.110 4.082 4.127 . 0 0 "[ . 1 . ]" 1 1376 1 85 TYR H 1 86 LEU H 3.310 . 3.810 2.541 2.504 2.614 . 0 0 "[ . 1 . ]" 1 1377 1 85 TYR HA 1 85 TYR QD 3.540 . 4.040 2.755 2.616 2.922 . 0 0 "[ . 1 . ]" 1 1378 1 85 TYR HA 1 88 ALA MB 4.680 . 5.180 2.436 2.303 2.553 . 0 0 "[ . 1 . ]" 1 1379 1 85 TYR HB3 1 86 LEU H 4.050 . 4.550 2.891 2.684 3.029 . 0 0 "[ . 1 . ]" 1 1380 1 85 TYR HB3 1 86 LEU MD1 6.160 . 6.660 4.939 4.827 5.047 . 0 0 "[ . 1 . ]" 1 1381 1 85 TYR QD 1 86 LEU H 4.360 . 4.860 3.653 3.336 3.800 . 0 0 "[ . 1 . ]" 1 1382 1 85 TYR QD 1 86 LEU HA 4.150 . 4.650 3.648 3.434 3.808 . 0 0 "[ . 1 . ]" 1 1383 1 85 TYR QD 1 86 LEU MD1 6.110 . 6.610 4.497 4.342 4.583 . 0 0 "[ . 1 . ]" 1 1384 1 85 TYR QD 1 88 ALA MB 6.820 . 7.320 3.674 3.388 4.003 . 0 0 "[ . 1 . ]" 1 1385 1 85 TYR QD 1 89 GLN HE22 4.510 . 5.010 3.743 2.690 5.028 0.018 6 0 "[ . 1 . ]" 1 1386 1 85 TYR QE 1 89 GLN HE22 4.210 . 4.710 3.112 2.427 4.415 . 0 0 "[ . 1 . ]" 1 1387 1 85 TYR QE 1 89 GLN QG 4.790 . 5.290 3.810 3.305 3.987 . 0 0 "[ . 1 . ]" 1 1388 1 86 LEU H 1 86 LEU HB2 3.390 . 3.890 2.414 2.375 2.450 . 0 0 "[ . 1 . ]" 1 1389 1 86 LEU H 1 86 LEU HB3 4.140 . 4.640 3.591 3.573 3.615 . 0 0 "[ . 1 . ]" 1 1390 1 86 LEU H 1 86 LEU HG 4.580 . 5.080 2.332 2.180 2.436 . 0 0 "[ . 1 . ]" 1 1391 1 86 LEU H 1 86 LEU MD2 5.120 . 5.620 3.444 3.358 3.527 . 0 0 "[ . 1 . ]" 1 1392 1 86 LEU H 1 88 ALA H 4.030 . 4.530 3.900 3.827 4.075 . 0 0 "[ . 1 . ]" 1 1393 1 86 LEU HA 1 86 LEU MD2 4.550 . 5.050 2.003 1.973 2.053 . 0 0 "[ . 1 . ]" 1 1394 1 86 LEU HA 1 87 VAL MG1 6.610 . 7.110 4.824 4.675 5.219 . 0 0 "[ . 1 . ]" 1 1395 1 86 LEU HB2 1 87 VAL H 4.500 . 5.000 2.980 2.739 3.160 . 0 0 "[ . 1 . ]" 1 1396 1 86 LEU HB2 1 87 VAL HA 5.800 . 6.300 4.591 4.445 4.719 . 0 0 "[ . 1 . ]" 1 1397 1 86 LEU HB2 1 87 VAL MG1 5.960 . 6.460 3.292 3.003 4.372 . 0 0 "[ . 1 . ]" 1 1398 1 86 LEU HB3 1 87 VAL H 5.030 . 5.530 3.905 3.725 4.044 . 0 0 "[ . 1 . ]" 1 1399 1 86 LEU HB3 1 88 ALA H 5.500 . 6.000 5.505 5.339 5.572 . 0 0 "[ . 1 . ]" 1 1400 1 86 LEU MD2 1 89 GLN HE21 6.730 . 7.230 4.086 3.157 6.188 . 0 0 "[ . 1 . ]" 1 1401 1 86 LEU MD2 1 89 GLN QG 7.240 . 7.740 4.882 3.242 5.395 . 0 0 "[ . 1 . ]" 1 1402 1 87 VAL H 1 87 VAL HB 3.880 . 4.380 3.563 2.614 3.705 . 0 0 "[ . 1 . ]" 1 1403 1 87 VAL H 1 88 ALA H 3.640 . 4.140 2.298 2.189 2.487 . 0 0 "[ . 1 . ]" 1 1404 1 87 VAL H 1 90 GLY H 5.500 . 6.000 4.555 4.308 5.121 . 0 0 "[ . 1 . ]" 1 1405 1 87 VAL HA 1 90 GLY QA 4.940 . 5.440 3.149 2.766 3.841 . 0 0 "[ . 1 . ]" 1 1406 1 87 VAL HA 1 91 ARG QD 5.490 . 5.990 4.566 3.579 4.948 . 0 0 "[ . 1 . ]" 1 1407 1 87 VAL HB 1 88 ALA H 4.030 . 4.530 4.148 4.044 4.185 . 0 0 "[ . 1 . ]" 1 1408 1 87 VAL HB 1 88 ALA HA 5.500 . 6.000 4.812 4.564 5.707 . 0 0 "[ . 1 . ]" 1 1409 1 87 VAL HB 1 91 ARG HG2 5.000 . 5.500 4.109 2.703 5.091 . 0 0 "[ . 1 . ]" 1 1410 1 87 VAL MG1 1 88 ALA H 5.540 . 6.040 3.977 2.509 4.205 . 0 0 "[ . 1 . ]" 1 1411 1 87 VAL MG1 1 90 GLY H 6.610 . 7.110 4.700 4.435 4.991 . 0 0 "[ . 1 . ]" 1 1412 1 87 VAL MG1 1 91 ARG QB 7.600 . 8.100 5.285 4.465 5.712 . 0 0 "[ . 1 . ]" 1 1413 1 87 VAL MG1 1 91 ARG QD 7.410 . 7.910 4.407 2.777 5.352 . 0 0 "[ . 1 . ]" 1 1414 1 87 VAL MG2 1 88 ALA H 5.340 . 5.840 2.841 2.495 4.182 . 0 0 "[ . 1 . ]" 1 1415 1 87 VAL MG2 1 88 ALA HA 6.380 . 6.880 3.617 3.484 4.090 . 0 0 "[ . 1 . ]" 1 1416 1 87 VAL MG2 1 90 GLY H 6.610 . 7.110 4.817 4.236 5.067 . 0 0 "[ . 1 . ]" 1 1417 1 87 VAL MG2 1 91 ARG QD 7.410 . 7.910 4.140 2.089 5.574 . 0 0 "[ . 1 . ]" 1 1418 1 88 ALA HA 1 91 ARG HA 6.500 . 7.000 6.419 5.496 6.765 . 0 0 "[ . 1 . ]" 1 1419 1 88 ALA MB 1 89 GLN H 5.720 . 6.220 2.927 2.807 3.138 . 0 0 "[ . 1 . ]" 1 1420 1 88 ALA MB 1 89 GLN HB3 6.240 . 6.740 5.028 3.875 5.319 . 0 0 "[ . 1 . ]" 1 1421 1 88 ALA MB 1 89 GLN HE22 6.970 . 7.470 4.456 2.149 5.589 . 0 0 "[ . 1 . ]" 1 1422 1 88 ALA MB 1 89 GLN HE21 6.610 . 7.110 3.930 2.893 5.268 . 0 0 "[ . 1 . ]" 1 1423 1 88 ALA MB 1 89 GLN QG 7.410 . 7.910 3.517 2.790 5.478 . 0 0 "[ . 1 . ]" 1 1424 1 88 ALA MB 1 90 GLY H 6.610 . 7.110 4.484 4.293 4.727 . 0 0 "[ . 1 . ]" 1 1425 1 89 GLN HA 1 89 GLN HE22 5.500 . 6.000 5.352 3.979 6.010 0.010 12 0 "[ . 1 . ]" 1 1426 1 89 GLN HA 1 90 GLY QA 4.920 . 5.420 4.416 4.349 4.453 . 0 0 "[ . 1 . ]" 1 1427 1 89 GLN HB2 1 90 GLY H 4.370 . 4.870 3.412 2.834 4.441 . 0 0 "[ . 1 . ]" 1 1428 1 89 GLN HB2 1 90 GLY QA 5.850 . 6.350 4.281 3.839 5.176 . 0 0 "[ . 1 . ]" 1 1429 1 89 GLN HB3 1 90 GLY QA 5.810 . 6.310 4.524 3.915 5.413 . 0 0 "[ . 1 . ]" 1 1430 1 90 GLY H 1 91 ARG H 3.490 . 3.990 2.450 2.329 2.503 . 0 0 "[ . 1 . ]" 1 1431 1 90 GLY QA 1 91 ARG HA 4.840 . 5.340 4.090 4.044 4.156 . 0 0 "[ . 1 . ]" 1 1432 1 90 GLY QA 1 91 ARG HG2 6.170 . 6.670 4.118 3.550 4.933 . 0 0 "[ . 1 . ]" 1 1433 1 91 ARG H 1 91 ARG HG2 3.750 . 4.250 2.968 1.925 3.914 . 0 0 "[ . 1 . ]" 1 1434 1 91 ARG H 1 92 ARG H 4.250 . 4.750 3.147 2.003 4.435 . 0 0 "[ . 1 . ]" 1 1435 1 91 ARG HA 1 91 ARG HG2 3.950 . 4.450 3.143 2.362 3.783 . 0 0 "[ . 1 . ]" 1 1436 1 91 ARG HA 1 94 GLU HB3 4.400 . 4.900 3.886 2.495 4.534 . 0 0 "[ . 1 . ]" 1 1437 1 91 ARG HA 1 94 GLU QG 5.170 . 5.670 3.650 2.167 4.751 . 0 0 "[ . 1 . ]" 1 1438 1 91 ARG QB 1 93 LEU H 6.050 . 6.550 4.807 4.174 5.569 . 0 0 "[ . 1 . ]" 1 1439 1 92 ARG H 1 92 ARG HB3 4.000 . 4.500 3.151 2.378 4.034 . 0 0 "[ . 1 . ]" 1 1440 1 92 ARG H 1 92 ARG HG2 5.320 . 5.820 4.405 3.346 4.981 . 0 0 "[ . 1 . ]" 1 1441 1 92 ARG H 1 92 ARG HG3 4.990 . 5.490 3.970 2.352 4.803 . 0 0 "[ . 1 . ]" 1 1442 1 92 ARG H 1 93 LEU QD 7.950 . 8.450 5.093 3.399 5.929 . 0 0 "[ . 1 . ]" 1 1443 1 92 ARG H 1 94 GLU H 4.510 . 5.010 3.880 3.202 4.325 . 0 0 "[ . 1 . ]" 1 1444 1 92 ARG HB3 1 92 ARG HG2 2.910 . 3.410 2.473 2.432 2.502 . 0 0 "[ . 1 . ]" 1 1445 1 92 ARG HB3 1 93 LEU QB 4.950 . 5.450 4.251 3.754 4.642 . 0 0 "[ . 1 . ]" 1 1446 1 92 ARG HG3 1 93 LEU H 5.080 . 5.580 4.568 2.878 5.174 . 0 0 "[ . 1 . ]" 1 1447 1 93 LEU QD 1 94 GLU H 7.410 . 7.910 4.131 3.032 4.426 . 0 0 "[ . 1 . ]" 1 1448 1 94 GLU H 1 94 GLU HG2 5.230 . 5.730 3.602 1.936 5.011 . 0 0 "[ . 1 . ]" 1 1449 1 94 GLU H 1 95 LEU H 4.460 . 4.960 3.351 1.790 4.626 0.010 2 0 "[ . 1 . ]" 1 1450 1 95 LEU H 1 96 VAL H 3.520 . 4.020 2.329 1.667 2.925 0.133 4 0 "[ . 1 . ]" 1 1451 1 95 LEU H 1 96 VAL QG 7.410 . 7.910 3.521 2.825 4.260 . 0 0 "[ . 1 . ]" 1 1452 1 96 VAL H 1 96 VAL HB 3.640 . 4.140 3.108 2.407 3.822 . 0 0 "[ . 1 . ]" 1 1453 1 56 LYS QE 2 2 DG H8 4.490 . 4.990 3.302 2.632 4.081 . 0 0 "[ . 1 . ]" 1 1454 1 56 LYS QG 2 2 DG H8 5.610 . 6.110 4.840 3.946 5.070 . 0 0 "[ . 1 . ]" 1 1455 1 60 ALA MB 2 2 DG H8 7.210 . 7.710 4.606 4.045 5.235 . 0 0 "[ . 1 . ]" 1 1456 1 73 TRP HE1 2 3 DT H6 3.500 . 4.000 3.296 3.097 3.462 . 0 0 "[ . 1 . ]" 1 1457 1 73 TRP HZ2 2 3 DT H6 4.200 . 4.700 3.996 3.882 4.177 . 0 0 "[ . 1 . ]" 1 1458 1 73 TRP HH2 2 3 DT H6 6.000 . 6.500 6.048 5.942 6.153 . 0 0 "[ . 1 . ]" 1 1459 1 77 ILE HG12 2 3 DT H6 3.500 . 4.000 3.270 2.997 3.510 . 0 0 "[ . 1 . ]" 1 1460 1 77 ILE HG13 2 3 DT H6 4.500 . 5.000 4.003 3.858 4.271 . 0 0 "[ . 1 . ]" 1 1461 1 77 ILE MG 2 3 DT H6 6.730 . 7.230 4.860 4.619 4.982 . 0 0 "[ . 1 . ]" 1 1462 1 77 ILE MD 2 3 DT H6 5.400 . 5.900 3.115 2.985 3.339 . 0 0 "[ . 1 . ]" 1 1463 1 57 ALA HA 2 3 DT M7 6.000 . 6.500 3.659 3.390 3.991 . 0 0 "[ . 1 . ]" 1 1464 1 60 ALA H 2 3 DT M7 6.610 . 7.110 4.419 4.292 4.828 . 0 0 "[ . 1 . ]" 1 1465 1 60 ALA HA 2 3 DT M7 6.000 . 6.500 4.152 4.034 4.415 . 0 0 "[ . 1 . ]" 1 1466 1 60 ALA MB 2 3 DT M7 4.900 . 5.400 2.012 1.913 2.254 . 0 0 "[ . 1 . ]" 1 1467 1 73 TRP HZ2 2 3 DT M7 4.800 . 5.300 3.093 2.744 3.381 . 0 0 "[ . 1 . ]" 1 1468 1 73 TRP HH2 2 3 DT M7 6.000 . 6.500 4.235 3.984 4.461 . 0 0 "[ . 1 . ]" 1 1469 1 73 TRP HE1 2 3 DT M7 5.640 . 6.140 4.063 3.737 4.246 . 0 0 "[ . 1 . ]" 1 1470 1 77 ILE HG12 2 3 DT M7 4.800 . 5.300 3.106 2.569 3.329 . 0 0 "[ . 1 . ]" 1 1471 1 77 ILE HG13 2 3 DT M7 6.240 . 6.740 4.173 3.816 4.404 . 0 0 "[ . 1 . ]" 1 1472 1 77 ILE MG 2 3 DT M7 8.080 . 8.580 3.203 2.551 3.410 . 0 0 "[ . 1 . ]" 1 1473 1 77 ILE MD 2 3 DT M7 6.350 . 6.850 2.278 2.114 2.469 . 0 0 "[ . 1 . ]" 1 1474 1 76 ARG HB3 2 3 DT H1' 4.500 . 5.000 3.519 2.542 4.429 . 0 0 "[ . 1 . ]" 1 1475 1 76 ARG QG 2 3 DT H1' 4.490 . 4.990 3.037 2.132 4.216 . 0 0 "[ . 1 . ]" 1 1476 1 77 ILE MD 2 3 DT H1' 6.730 . 7.230 4.976 4.705 5.321 . 0 0 "[ . 1 . ]" 1 1477 1 77 ILE MG 2 3 DT H1' 7.210 . 7.710 5.629 5.413 5.944 . 0 0 "[ . 1 . ]" 1 1478 1 77 ILE HG12 2 3 DT H1' 4.500 . 5.000 4.089 3.851 4.501 . 0 0 "[ . 1 . ]" 1 1479 1 77 ILE HG13 2 3 DT H1' 4.650 . 5.150 4.231 3.859 4.639 . 0 0 "[ . 1 . ]" 1 1480 1 80 ASN HD21 2 3 DT H1' 3.400 . 3.900 3.350 2.934 3.606 . 0 0 "[ . 1 . ]" 1 1481 1 73 TRP HD1 2 3 DT H2'' 3.500 . 4.000 3.081 2.934 3.183 . 0 0 "[ . 1 . ]" 1 1482 1 73 TRP HA 2 3 DT H2'' 4.000 . 4.500 3.859 3.653 4.061 . 0 0 "[ . 1 . ]" 1 1483 1 76 ARG QB 2 3 DT H2'' 3.370 . 3.870 2.764 2.455 3.054 . 0 0 "[ . 1 . ]" 1 1484 1 76 ARG QG 2 3 DT H2'' 4.490 . 4.990 3.078 2.367 3.809 . 0 0 "[ . 1 . ]" 1 1485 1 77 ILE HG12 2 3 DT H2'' 4.000 . 4.500 3.726 3.634 3.883 . 0 0 "[ . 1 . ]" 1 1486 1 77 ILE HG13 2 3 DT H2'' 3.300 . 3.800 3.061 2.939 3.309 . 0 0 "[ . 1 . ]" 1 1487 1 77 ILE MG 2 3 DT H2'' 7.810 . 8.310 5.482 5.406 5.626 . 0 0 "[ . 1 . ]" 1 1488 1 77 ILE MD 2 3 DT H2'' 6.000 . 6.500 3.825 3.595 4.048 . 0 0 "[ . 1 . ]" 1 1489 1 73 TRP HD1 2 3 DT H2' 3.200 . 3.700 3.310 3.259 3.353 . 0 0 "[ . 1 . ]" 1 1490 1 73 TRP HE1 2 3 DT H2' 3.000 . 3.500 2.348 2.245 2.444 . 0 0 "[ . 1 . ]" 1 1491 1 77 ILE HG12 2 3 DT H2' 3.900 . 4.400 3.946 3.909 3.993 . 0 0 "[ . 1 . ]" 1 1492 1 77 ILE HG13 2 3 DT H2' 3.700 . 4.200 3.830 3.790 3.890 . 0 0 "[ . 1 . ]" 1 1493 1 77 ILE MD 2 3 DT H2' 5.880 . 6.380 3.591 3.388 3.795 . 0 0 "[ . 1 . ]" 1 1494 1 73 TRP HD1 2 3 DT H3' 3.400 . 3.900 3.031 2.871 3.165 . 0 0 "[ . 1 . ]" 1 1495 1 67 ASP HB2 2 4 DC H5 6.000 . 6.500 6.062 5.981 6.136 . 0 0 "[ . 1 . ]" 1 1496 1 73 TRP HD1 2 4 DC H6 3.200 . 3.700 2.610 2.510 2.750 . 0 0 "[ . 1 . ]" 1 1497 1 73 TRP HE1 2 4 DC H6 4.300 . 4.800 3.907 3.742 4.040 . 0 0 "[ . 1 . ]" 1 1498 1 73 TRP HB2 2 4 DC H6 5.100 . 5.600 4.637 4.520 4.779 . 0 0 "[ . 1 . ]" 1 1499 1 73 TRP HD1 2 4 DC H5 4.000 . 4.500 3.474 3.337 3.617 . 0 0 "[ . 1 . ]" 1 1500 1 73 TRP HE1 2 4 DC H5 3.500 . 4.000 2.878 2.725 3.081 . 0 0 "[ . 1 . ]" 1 1501 1 65 ARG HE 2 4 DC H41 5.000 . 5.500 4.550 3.642 5.049 . 0 0 "[ . 1 . ]" 1 1502 1 65 ARG HD3 2 4 DC H41 5.000 . 5.500 4.293 3.022 4.898 . 0 0 "[ . 1 . ]" 1 1503 1 65 ARG HE 2 4 DC H42 5.500 . 6.000 4.973 4.008 5.578 . 0 0 "[ . 1 . ]" 1 1504 1 65 ARG HD3 2 4 DC H42 5.300 . 5.800 4.897 3.236 5.435 . 0 0 "[ . 1 . ]" 1 1505 1 64 PHE QE 2 4 DC H1' 6.730 . 7.230 3.444 3.249 3.610 . 0 0 "[ . 1 . ]" 1 1506 1 67 ASP HB2 2 4 DC H1' 3.500 . 4.000 2.764 2.434 3.148 . 0 0 "[ . 1 . ]" 1 1507 1 67 ASP HB3 2 4 DC H1' 4.500 . 5.000 4.009 3.769 4.353 . 0 0 "[ . 1 . ]" 1 1508 1 68 SER H 2 4 DC H1' 3.300 . 3.800 3.031 2.888 3.200 . 0 0 "[ . 1 . ]" 1 1509 1 68 SER HB3 2 4 DC H1' 4.000 . 4.500 2.550 2.285 2.751 . 0 0 "[ . 1 . ]" 1 1510 1 68 SER HB2 2 4 DC H1' 3.600 . 4.100 3.497 3.353 3.618 . 0 0 "[ . 1 . ]" 1 1511 1 73 TRP HD1 2 4 DC H1' 4.000 . 4.500 4.032 3.934 4.088 . 0 0 "[ . 1 . ]" 1 1512 1 73 TRP HB2 2 4 DC H1' 3.800 . 4.300 3.456 3.194 3.700 . 0 0 "[ . 1 . ]" 1 1513 1 67 ASP HB2 2 4 DC H2' 3.800 . 4.300 3.177 3.035 3.260 . 0 0 "[ . 1 . ]" 1 1514 1 67 ASP HB3 2 4 DC H2' 3.800 . 4.300 3.912 3.885 3.944 . 0 0 "[ . 1 . ]" 1 1515 1 67 ASP HB2 2 4 DC H2'' 3.000 . 3.500 2.093 2.053 2.178 . 0 0 "[ . 1 . ]" 1 1516 1 67 ASP HB3 2 4 DC H2'' 3.300 . 3.800 2.504 2.432 2.670 . 0 0 "[ . 1 . ]" 1 1517 1 68 SER HB2 2 4 DC H2'' 3.800 . 4.300 3.523 3.215 3.750 . 0 0 "[ . 1 . ]" 1 1518 1 68 SER HB3 2 4 DC H2'' 4.200 . 4.700 3.718 3.379 3.951 . 0 0 "[ . 1 . ]" 1 1519 1 68 SER HB3 2 4 DC H4' 3.500 . 4.000 3.061 2.703 3.429 . 0 0 "[ . 1 . ]" 1 1520 1 72 THR HB 2 4 DC H4' 4.000 . 4.500 3.417 3.177 3.740 . 0 0 "[ . 1 . ]" 1 1521 1 72 THR MG 2 4 DC H4' 3.960 . 4.460 2.486 2.353 2.616 . 0 0 "[ . 1 . ]" 1 1522 1 73 TRP HA 2 4 DC H4' 3.800 . 4.300 3.640 3.518 3.795 . 0 0 "[ . 1 . ]" 1 1523 1 73 TRP HD1 2 4 DC H4' 4.200 . 4.700 4.367 4.316 4.456 . 0 0 "[ . 1 . ]" 1 1524 1 73 TRP HA 2 4 DC H5' 3.000 . 3.500 2.777 2.395 3.046 . 0 0 "[ . 1 . ]" 1 1525 1 72 THR MG 2 5 DA H8 6.610 . 7.110 2.253 2.094 2.476 . 0 0 "[ . 1 . ]" 1 1526 1 68 SER HA 2 5 DA H3' 3.400 . 3.900 2.749 2.436 3.096 . 0 0 "[ . 1 . ]" 1 1527 1 68 SER HB3 2 5 DA H3' 3.600 . 4.100 3.697 3.644 3.758 . 0 0 "[ . 1 . ]" 1 1528 1 69 ALA H 2 5 DA H3' 4.100 . 4.600 3.489 3.184 3.803 . 0 0 "[ . 1 . ]" 1 1529 1 72 THR MG 2 5 DA H3' 4.800 . 5.300 3.595 3.410 3.798 . 0 0 "[ . 1 . ]" 1 1530 1 72 THR MG 2 5 DA H2' 4.200 . 4.700 2.319 2.199 2.463 . 0 0 "[ . 1 . ]" 1 1531 1 72 THR HB 2 5 DA H2' 5.500 . 6.000 4.375 4.131 4.565 . 0 0 "[ . 1 . ]" 1 1532 1 72 THR MG 2 5 DA H2'' 4.560 . 5.060 3.561 3.428 3.699 . 0 0 "[ . 1 . ]" 1 1533 1 68 SER HA 2 5 DA H4' 5.000 . 5.500 4.570 4.276 4.994 . 0 0 "[ . 1 . ]" 1 1534 1 72 THR MG 2 6 DA H8 3.600 . 4.100 2.817 2.486 3.037 . 0 0 "[ . 1 . ]" 1 1535 1 72 THR HA 2 6 DA H8 4.500 . 5.000 4.112 3.799 4.318 . 0 0 "[ . 1 . ]" 1 1536 1 72 THR MG 2 6 DA H2' 6.000 . 6.500 3.923 3.794 4.073 . 0 0 "[ . 1 . ]" 1 1537 1 72 THR MG 2 6 DA H2'' 6.970 . 7.470 4.887 4.711 5.096 . 0 0 "[ . 1 . ]" 1 1538 1 69 ALA MB 2 6 DA H5'' 6.610 . 7.110 4.927 4.507 5.335 . 0 0 "[ . 1 . ]" 1 1539 1 71 TYR QD 2 7 DA H8 4.490 . 4.990 2.580 2.489 2.731 . 0 0 "[ . 1 . ]" 1 1540 1 71 TYR QE 2 7 DA H8 5.610 . 6.110 4.320 3.924 4.753 . 0 0 "[ . 1 . ]" 1 1541 1 71 TYR HB3 2 7 DA H8 5.000 . 5.500 3.405 3.089 3.730 . 0 0 "[ . 1 . ]" 1 1542 1 72 THR HA 2 7 DA H8 3.800 . 4.300 3.889 3.761 3.975 . 0 0 "[ . 1 . ]" 1 1543 1 72 THR MG 2 7 DA H8 6.610 . 7.110 4.292 4.169 4.425 . 0 0 "[ . 1 . ]" 1 1544 1 75 TYR QD 2 7 DA H1' 5.720 . 6.220 4.714 4.513 4.856 . 0 0 "[ . 1 . ]" 1 1545 1 75 TYR QE 2 7 DA H1' 5.050 . 5.550 4.547 4.462 4.609 . 0 0 "[ . 1 . ]" 1 1546 1 71 TYR QD 2 7 DA H2' 5.720 . 6.220 2.425 2.154 2.817 . 0 0 "[ . 1 . ]" 1 1547 1 71 TYR QE 2 7 DA H2' 5.610 . 6.110 3.207 2.820 3.549 . 0 0 "[ . 1 . ]" 1 1548 1 75 TYR QD 2 7 DA H2' 5.610 . 6.110 5.033 4.894 5.105 . 0 0 "[ . 1 . ]" 1 1549 1 75 TYR QE 2 7 DA H2' 6.730 . 7.230 6.074 5.982 6.147 . 0 0 "[ . 1 . ]" 1 1550 1 71 TYR QE 2 7 DA H2'' 5.610 . 6.110 2.415 2.234 2.585 . 0 0 "[ . 1 . ]" 1 1551 1 75 TYR QD 2 7 DA H2'' 5.720 . 6.220 4.310 4.175 4.413 . 0 0 "[ . 1 . ]" 1 1552 1 75 TYR QE 2 7 DA H2'' 5.610 . 6.110 4.875 4.680 4.998 . 0 0 "[ . 1 . ]" 1 1553 1 71 TYR QD 2 7 DA H3' 5.720 . 6.220 4.641 4.337 5.042 . 0 0 "[ . 1 . ]" 1 1554 1 71 TYR QE 2 7 DA H3' 5.610 . 6.110 4.896 4.647 5.083 . 0 0 "[ . 1 . ]" 1 1555 1 71 TYR QD 2 7 DA H2 6.730 . 7.230 6.254 6.194 6.341 . 0 0 "[ . 1 . ]" 1 1556 1 71 TYR QE 2 7 DA H2 6.170 . 6.670 5.210 4.969 5.512 . 0 0 "[ . 1 . ]" 1 1557 1 72 THR MG 2 7 DA H2 7.210 . 7.710 5.978 5.816 6.043 . 0 0 "[ . 1 . ]" 1 1558 1 75 TYR QD 2 7 DA H2 6.170 . 6.670 4.033 3.908 4.225 . 0 0 "[ . 1 . ]" 1 1559 1 75 TYR QE 2 7 DA H2 6.170 . 6.670 3.101 3.045 3.166 . 0 0 "[ . 1 . ]" 1 1560 2 1 DT H4' 2 1 DT H6 5.400 . 5.900 5.355 4.697 5.558 . 0 0 "[ . 1 . ]" 1 1561 2 1 DT H1' 2 1 DT H2'' 5.000 . 5.500 2.328 2.269 2.385 . 0 0 "[ . 1 . ]" 1 1562 2 1 DT H1' 2 1 DT H5' 5.000 . 5.500 4.823 4.080 4.918 . 0 0 "[ . 1 . ]" 1 1563 2 1 DT H3' 2 1 DT H6 5.000 . 5.500 4.313 4.010 4.494 . 0 0 "[ . 1 . ]" 1 1564 2 1 DT H5' 2 1 DT H6 5.000 . 5.500 4.863 4.010 5.105 . 0 0 "[ . 1 . ]" 1 1565 2 1 DT H1' 2 1 DT H4' 4.000 . 4.500 3.649 3.071 3.935 . 0 0 "[ . 1 . ]" 1 1566 2 1 DT H2' 2 1 DT H6 4.000 . 4.500 2.065 1.940 2.366 . 0 0 "[ . 1 . ]" 1 1567 2 1 DT H1' 2 1 DT H6 4.000 . 4.500 3.244 2.970 3.723 . 0 0 "[ . 1 . ]" 1 1568 2 1 DT H1' 2 1 DT H2' 3.000 . 3.500 3.001 2.921 3.041 . 0 0 "[ . 1 . ]" 1 1569 2 1 DT H3' 2 1 DT H4' 3.000 . 3.500 2.700 2.654 2.833 . 0 0 "[ . 1 . ]" 1 1570 2 1 DT H2' 2 1 DT H3' 3.000 . 3.500 2.346 2.283 2.396 . 0 0 "[ . 1 . ]" 1 1571 2 1 DT H3' 2 1 DT H5' 3.000 . 3.500 2.338 2.257 2.806 . 0 0 "[ . 1 . ]" 1 1572 2 1 DT H2'' 2 1 DT H3' 3.000 . 3.500 2.718 2.670 2.807 . 0 0 "[ . 1 . ]" 1 1573 2 1 DT H6 2 1 DT M7 3.600 . 4.100 2.197 2.182 2.209 . 0 0 "[ . 1 . ]" 1 1574 2 1 DT H2'' 2 1 DT H6 3.300 . 3.800 2.688 2.278 3.403 . 0 0 "[ . 1 . ]" 1 1575 2 2 DG H1' 2 2 DG H3' 5.000 . 5.500 3.862 3.637 4.017 . 0 0 "[ . 1 . ]" 1 1576 2 2 DG H3' 2 2 DG H8 5.250 . 5.750 4.401 4.049 4.749 . 0 0 "[ . 1 . ]" 1 1577 2 2 DG H1' 2 2 DG H8 5.000 . 5.500 3.690 3.269 3.872 . 0 0 "[ . 1 . ]" 1 1578 2 2 DG H1' 2 2 DG H2'' 5.000 . 5.500 2.341 2.290 2.427 . 0 0 "[ . 1 . ]" 1 1579 2 2 DG H3' 2 2 DG H5' 4.000 . 4.500 2.879 2.252 3.642 . 0 0 "[ . 1 . ]" 1 1580 2 2 DG H2' 2 2 DG H3' 4.000 . 4.500 2.355 2.248 2.439 . 0 0 "[ . 1 . ]" 1 1581 2 2 DG H1' 2 2 DG H2' 4.000 . 4.500 3.014 2.967 3.051 . 0 0 "[ . 1 . ]" 1 1582 2 2 DG H1' 2 2 DG H4' 4.000 . 4.500 3.455 2.851 3.812 . 0 0 "[ . 1 . ]" 1 1583 2 2 DG H3' 2 2 DG H5'' 3.000 . 3.500 2.739 2.382 3.013 . 0 0 "[ . 1 . ]" 1 1584 2 2 DG H2' 2 2 DG H8 3.400 . 3.900 2.173 1.985 2.497 . 0 0 "[ . 1 . ]" 1 1585 2 2 DG H2'' 2 2 DG H3' 3.000 . 3.500 2.727 2.703 2.761 . 0 0 "[ . 1 . ]" 1 1586 2 2 DG H2'' 2 2 DG H8 3.400 . 3.900 3.177 2.635 3.526 . 0 0 "[ . 1 . ]" 1 1587 2 2 DG H3' 2 2 DG H4' 3.000 . 3.500 2.739 2.683 2.888 . 0 0 "[ . 1 . ]" 1 1588 2 1 DT H2' 2 2 DG H8 4.200 . 4.700 3.776 3.236 4.315 . 0 0 "[ . 1 . ]" 1 1589 2 1 DT H2'' 2 2 DG H8 4.200 . 4.700 3.628 2.379 4.296 . 0 0 "[ . 1 . ]" 1 1590 2 2 DG H8 2 3 DT M7 4.800 . 5.300 2.659 2.298 3.203 . 0 0 "[ . 1 . ]" 1 1591 2 1 DT M7 2 2 DG H8 6.610 . 7.110 5.079 3.765 5.589 . 0 0 "[ . 1 . ]" 1 1592 2 3 DT H1' 2 3 DT H2'' 5.000 . 5.500 2.379 2.359 2.405 . 0 0 "[ . 1 . ]" 1 1593 2 3 DT H2'' 2 3 DT H3' 5.000 . 5.500 2.696 2.675 2.722 . 0 0 "[ . 1 . ]" 1 1594 2 3 DT H1' 2 3 DT H6 5.000 . 5.500 3.716 3.704 3.733 . 0 0 "[ . 1 . ]" 1 1595 2 3 DT H3' 2 3 DT H6 5.000 . 5.500 4.229 4.146 4.293 . 0 0 "[ . 1 . ]" 1 1596 2 3 DT H1' 2 3 DT H2' 5.000 . 5.500 3.048 3.035 3.055 . 0 0 "[ . 1 . ]" 1 1597 2 3 DT H1' 2 3 DT H4' 5.000 . 5.500 3.173 2.921 3.418 . 0 0 "[ . 1 . ]" 1 1598 2 3 DT H3' 2 3 DT M7 7.210 . 7.710 5.755 5.661 5.811 . 0 0 "[ . 1 . ]" 1 1599 2 3 DT H2' 2 3 DT H3' 5.000 . 5.500 2.386 2.364 2.410 . 0 0 "[ . 1 . ]" 1 1600 2 3 DT H3' 2 3 DT H4' 5.000 . 5.500 2.781 2.722 2.836 . 0 0 "[ . 1 . ]" 1 1601 2 3 DT H1' 2 3 DT M7 6.120 . 6.620 5.142 5.122 5.157 . 0 0 "[ . 1 . ]" 1 1602 2 3 DT H6 2 3 DT M7 4.800 . 5.300 2.193 2.177 2.202 . 0 0 "[ . 1 . ]" 1 1603 2 3 DT H2' 2 3 DT H6 3.200 . 3.700 2.001 1.907 2.080 . 0 0 "[ . 1 . ]" 1 1604 2 3 DT H2'' 2 3 DT H6 3.200 . 3.700 3.329 3.233 3.457 . 0 0 "[ . 1 . ]" 1 1605 2 2 DG H2' 2 3 DT H6 4.850 . 5.350 4.131 3.186 5.187 . 0 0 "[ . 1 . ]" 1 1606 2 2 DG H2'' 2 3 DT H6 4.000 . 4.500 3.047 2.314 3.874 . 0 0 "[ . 1 . ]" 1 1607 2 4 DC H4' 2 4 DC H6 5.250 . 5.750 4.257 4.214 4.313 . 0 0 "[ . 1 . ]" 1 1608 2 4 DC H1' 2 4 DC H5 5.440 . 5.940 5.437 5.427 5.446 . 0 0 "[ . 1 . ]" 1 1609 2 4 DC H2'' 2 4 DC H6 4.100 . 4.600 3.937 3.861 4.001 . 0 0 "[ . 1 . ]" 1 1610 2 4 DC H2'' 2 4 DC H5 6.000 . 6.500 5.805 5.761 5.864 . 0 0 "[ . 1 . ]" 1 1611 2 4 DC H5 2 4 DC H6 4.000 . 4.500 2.424 2.411 2.440 . 0 0 "[ . 1 . ]" 1 1612 2 4 DC H1' 2 4 DC H4' 4.000 . 4.500 3.307 3.256 3.410 . 0 0 "[ . 1 . ]" 1 1613 2 4 DC H1' 2 4 DC H2' 4.000 . 4.500 2.992 2.967 3.005 . 0 0 "[ . 1 . ]" 1 1614 2 4 DC H2' 2 4 DC H6 4.000 . 4.500 2.460 2.359 2.553 . 0 0 "[ . 1 . ]" 1 1615 2 4 DC H2' 2 4 DC H5 5.700 . 6.200 4.350 4.299 4.418 . 0 0 "[ . 1 . ]" 1 1616 2 4 DC H1' 2 4 DC H2'' 4.000 . 4.500 2.315 2.298 2.335 . 0 0 "[ . 1 . ]" 1 1617 2 4 DC H1' 2 4 DC H6 3.800 . 4.300 3.707 3.693 3.724 . 0 0 "[ . 1 . ]" 1 1618 2 3 DT H2' 2 4 DC H6 4.000 . 4.500 4.041 3.921 4.092 . 0 0 "[ . 1 . ]" 1 1619 2 3 DT H2'' 2 4 DC H6 4.000 . 4.500 4.134 4.080 4.185 . 0 0 "[ . 1 . ]" 1 1620 2 3 DT H3' 2 4 DC H1' 5.750 . 6.250 5.677 5.487 5.768 . 0 0 "[ . 1 . ]" 1 1621 2 3 DT H3' 2 4 DC H6 3.000 . 3.500 2.102 1.967 2.176 . 0 0 "[ . 1 . ]" 1 1622 2 3 DT H2' 2 4 DC H5 3.500 . 4.000 3.385 3.153 3.543 . 0 0 "[ . 1 . ]" 1 1623 2 3 DT H2'' 2 4 DC H5 4.500 . 5.000 4.491 4.322 4.573 . 0 0 "[ . 1 . ]" 1 1624 2 5 DA H4' 2 5 DA H8 5.300 . 5.800 5.370 5.249 5.407 . 0 0 "[ . 1 . ]" 1 1625 2 5 DA H5' 2 5 DA H8 5.000 . 5.500 4.582 4.402 4.714 . 0 0 "[ . 1 . ]" 1 1626 2 5 DA H1' 2 5 DA H3' 5.000 . 5.500 4.035 3.972 4.083 . 0 0 "[ . 1 . ]" 1 1627 2 5 DA H1' 2 5 DA H8 5.000 . 5.500 3.592 3.519 3.738 . 0 0 "[ . 1 . ]" 1 1628 2 5 DA H1' 2 5 DA H4' 5.000 . 5.500 3.784 3.689 3.849 . 0 0 "[ . 1 . ]" 1 1629 2 5 DA H5'' 2 5 DA H8 5.000 . 5.500 4.978 4.792 5.041 . 0 0 "[ . 1 . ]" 1 1630 2 5 DA H3' 2 5 DA H5'' 5.000 . 5.500 2.641 2.593 2.669 . 0 0 "[ . 1 . ]" 1 1631 2 5 DA H3' 2 5 DA H8 5.000 . 5.500 4.225 4.169 4.284 . 0 0 "[ . 1 . ]" 1 1632 2 5 DA H3' 2 5 DA H5' 5.000 . 5.500 3.675 3.646 3.708 . 0 0 "[ . 1 . ]" 1 1633 2 5 DA H2'' 2 5 DA H3' 5.000 . 5.500 2.780 2.757 2.803 . 0 0 "[ . 1 . ]" 1 1634 2 5 DA H3' 2 5 DA H4' 4.000 . 4.500 2.688 2.680 2.698 . 0 0 "[ . 1 . ]" 1 1635 2 5 DA H1' 2 5 DA H2'' 3.000 . 3.500 2.282 2.272 2.299 . 0 0 "[ . 1 . ]" 1 1636 2 5 DA H2' 2 5 DA H3' 3.000 . 3.500 2.330 2.304 2.359 . 0 0 "[ . 1 . ]" 1 1637 2 5 DA H2' 2 5 DA H8 3.600 . 4.100 1.981 1.966 1.996 . 0 0 "[ . 1 . ]" 1 1638 2 5 DA H1' 2 5 DA H2' 3.000 . 3.500 2.961 2.929 2.990 . 0 0 "[ . 1 . ]" 1 1639 2 5 DA H2'' 2 5 DA H8 3.500 . 4.000 3.219 3.158 3.306 . 0 0 "[ . 1 . ]" 1 1640 2 6 DA H1' 2 6 DA H8 5.000 . 5.500 3.611 3.561 3.684 . 0 0 "[ . 1 . ]" 1 1641 2 6 DA H4' 2 6 DA H8 5.600 . 6.100 5.568 5.536 5.615 . 0 0 "[ . 1 . ]" 1 1642 2 6 DA H1' 2 6 DA H3' 5.000 . 5.500 3.731 3.700 3.795 . 0 0 "[ . 1 . ]" 1 1643 2 6 DA H1' 2 6 DA H5'' 5.000 . 5.500 4.829 4.792 4.904 . 0 0 "[ . 1 . ]" 1 1644 2 6 DA H1' 2 6 DA H2'' 5.000 . 5.500 2.409 2.384 2.424 . 0 0 "[ . 1 . ]" 1 1645 2 6 DA H1' 2 6 DA H4' 5.000 . 5.500 2.897 2.827 3.058 . 0 0 "[ . 1 . ]" 1 1646 2 6 DA H3' 2 6 DA H8 5.000 . 5.500 4.603 4.491 4.663 . 0 0 "[ . 1 . ]" 1 1647 2 6 DA H1' 2 6 DA H5' 5.000 . 5.500 4.506 4.484 4.534 . 0 0 "[ . 1 . ]" 1 1648 2 6 DA H2' 2 6 DA H8 3.000 . 3.500 2.297 2.214 2.397 . 0 0 "[ . 1 . ]" 1 1649 2 6 DA H1' 2 6 DA H2' 3.000 . 3.500 3.041 3.035 3.046 . 0 0 "[ . 1 . ]" 1 1650 2 6 DA H2'' 2 6 DA H8 3.200 . 3.700 2.693 2.614 2.802 . 0 0 "[ . 1 . ]" 1 1651 2 6 DA H3' 2 6 DA H4' 3.000 . 3.500 2.848 2.835 2.857 . 0 0 "[ . 1 . ]" 1 1652 2 6 DA H2'' 2 6 DA H3' 3.000 . 3.500 2.743 2.734 2.754 . 0 0 "[ . 1 . ]" 1 1653 2 6 DA H2' 2 6 DA H3' 3.000 . 3.500 2.363 2.300 2.386 . 0 0 "[ . 1 . ]" 1 1654 2 5 DA H2' 2 6 DA H8 4.000 . 4.500 3.959 3.597 4.033 . 0 0 "[ . 1 . ]" 1 1655 2 5 DA H2'' 2 6 DA H8 4.000 . 4.500 3.759 3.472 3.889 . 0 0 "[ . 1 . ]" 1 1656 2 7 DA H1' 2 7 DA H8 5.000 . 5.500 3.924 3.915 3.932 . 0 0 "[ . 1 . ]" 1 1657 2 7 DA H3' 2 7 DA H8 5.000 . 5.500 4.350 4.254 4.467 . 0 0 "[ . 1 . ]" 1 1658 2 7 DA H1' 2 7 DA H2' 3.000 . 3.500 3.016 3.003 3.030 . 0 0 "[ . 1 . ]" 1 1659 2 7 DA H1' 2 7 DA H5'' 4.950 . 5.450 4.248 4.109 4.903 . 0 0 "[ . 1 . ]" 1 1660 2 7 DA H2'' 2 7 DA H8 4.200 . 4.700 3.863 3.710 3.960 . 0 0 "[ . 1 . ]" 1 1661 2 7 DA H1' 2 7 DA H2'' 3.000 . 3.500 2.337 2.316 2.364 . 0 0 "[ . 1 . ]" 1 1662 2 7 DA H2' 2 7 DA H8 3.000 . 3.500 2.383 2.262 2.494 . 0 0 "[ . 1 . ]" 1 1663 2 6 DA H1' 2 7 DA H8 5.100 . 5.600 4.980 4.359 5.119 . 0 0 "[ . 1 . ]" 1 1664 2 6 DA H8 2 7 DA H8 4.000 . 4.500 3.039 2.862 3.275 . 0 0 "[ . 1 . ]" 1 1665 2 6 DA H2'' 2 7 DA H8 4.000 . 4.500 2.871 2.403 2.992 . 0 0 "[ . 1 . ]" 1 1666 2 6 DA H2' 2 7 DA H8 3.700 . 4.200 3.620 3.410 3.751 . 0 0 "[ . 1 . ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 117 _Distance_constraint_stats_list.Viol_count 21 _Distance_constraint_stats_list.Viol_total 11.590 _Distance_constraint_stats_list.Viol_max 0.082 _Distance_constraint_stats_list.Viol_rms 0.0038 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0003 _Distance_constraint_stats_list.Viol_average_violations_only 0.0307 _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 6 THR 0.000 0.000 . 0 "[ . 1 . ]" 1 7 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 8 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 9 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 10 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 11 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 12 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 13 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 14 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 15 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 16 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 19 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 20 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 21 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 22 PHE 0.000 0.000 . 0 "[ . 1 . ]" 1 23 ASN 0.000 0.000 . 0 "[ . 1 . ]" 1 24 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 25 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 26 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 27 VAL 0.002 0.002 13 0 "[ . 1 . ]" 1 28 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 29 TYR 0.005 0.003 16 0 "[ . 1 . ]" 1 30 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 31 HIS 0.002 0.002 13 0 "[ . 1 . ]" 1 32 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 33 VAL 0.005 0.003 16 0 "[ . 1 . ]" 1 34 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 35 SER 0.000 0.000 . 0 "[ . 1 . ]" 1 36 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 37 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 38 SER 0.000 0.000 . 0 "[ . 1 . ]" 1 45 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 46 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 47 PRO 0.000 0.000 . 0 "[ . 1 . ]" 1 48 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 49 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 50 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 51 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 52 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 53 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 54 PHE 0.000 0.000 . 0 "[ . 1 . ]" 1 55 ILE 0.000 0.000 . 0 "[ . 1 . ]" 1 56 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 57 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 58 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 59 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 60 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 61 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 65 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 66 GLY 0.000 0.000 . 0 "[ . 1 . ]" 1 67 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 70 PHE 0.000 0.000 . 0 "[ . 1 . ]" 1 71 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 72 THR 0.000 0.000 . 0 "[ . 1 . ]" 1 73 TRP 0.000 0.000 . 0 "[ . 1 . ]" 1 74 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 75 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 76 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 77 ILE 0.000 0.000 . 0 "[ . 1 . ]" 1 78 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 79 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 80 ASN 0.636 0.082 13 0 "[ . 1 . ]" 1 81 THR 0.000 0.000 . 0 "[ . 1 . ]" 1 82 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 83 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 84 ASN 0.000 0.000 . 0 "[ . 1 . ]" 1 85 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 86 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 87 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 88 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 89 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 90 GLY 0.000 0.000 . 0 "[ . 1 . ]" 1 91 ARG 0.000 0.000 . 0 "[ . 1 . ]" 2 2 DG 0.000 0.000 . 0 "[ . 1 . ]" 2 3 DT 0.636 0.082 13 0 "[ . 1 . ]" 2 4 DC 0.000 0.000 . 0 "[ . 1 . ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 6 THR O 1 10 LEU H 2.400 . 2.900 2.244 1.946 2.427 . 0 0 "[ . 1 . ]" 2 2 1 6 THR O 1 10 LEU N 3.400 2.400 3.900 3.165 2.895 3.345 . 0 0 "[ . 1 . ]" 2 3 1 7 ASP O 1 11 VAL H 2.400 . 2.900 2.278 2.025 2.511 . 0 0 "[ . 1 . ]" 2 4 1 7 ASP O 1 11 VAL N 3.400 2.400 3.900 3.136 2.913 3.342 . 0 0 "[ . 1 . ]" 2 5 1 8 GLN O 1 12 GLU H 2.550 . 3.050 2.577 2.363 2.647 . 0 0 "[ . 1 . ]" 2 6 1 8 GLN O 1 12 GLU N 3.550 2.600 4.050 3.508 3.275 3.602 . 0 0 "[ . 1 . ]" 2 7 1 9 VAL O 1 13 ARG H 2.400 . 2.900 2.251 2.094 2.454 . 0 0 "[ . 1 . ]" 2 8 1 9 VAL O 1 13 ARG N 3.400 2.400 3.900 3.056 2.884 3.269 . 0 0 "[ . 1 . ]" 2 9 1 10 LEU O 1 14 VAL H 2.400 2.400 2.900 2.491 2.419 2.561 . 0 0 "[ . 1 . ]" 2 10 1 11 VAL O 1 15 GLN H 2.400 . 2.900 2.353 2.208 2.447 . 0 0 "[ . 1 . ]" 2 11 1 11 VAL O 1 15 GLN N 3.400 2.400 3.900 3.240 3.114 3.405 . 0 0 "[ . 1 . ]" 2 12 1 12 GLU O 1 16 LYS H 2.550 . 3.050 2.643 2.599 2.689 . 0 0 "[ . 1 . ]" 2 13 1 12 GLU O 1 16 LYS N 3.400 2.600 3.900 3.320 3.210 3.459 . 0 0 "[ . 1 . ]" 2 14 1 19 GLN O 1 23 ASN H 2.400 . 2.900 2.357 2.019 2.490 . 0 0 "[ . 1 . ]" 2 15 1 19 GLN O 1 23 ASN N 3.400 2.400 3.900 3.211 2.956 3.358 . 0 0 "[ . 1 . ]" 2 16 1 20 LYS O 1 24 LEU H 2.400 . 2.900 2.451 2.331 2.511 . 0 0 "[ . 1 . ]" 2 17 1 20 LYS O 1 24 LEU N 3.400 2.400 3.900 3.357 3.249 3.415 . 0 0 "[ . 1 . ]" 2 18 1 21 ALA O 1 25 LEU H 2.400 . 2.900 2.476 2.450 2.498 . 0 0 "[ . 1 . ]" 2 19 1 21 ALA O 1 25 LEU N 3.400 2.400 3.900 3.290 3.220 3.355 . 0 0 "[ . 1 . ]" 2 20 1 22 PHE O 1 26 VAL H 2.400 . 2.900 1.994 1.898 2.068 . 0 0 "[ . 1 . ]" 2 21 1 22 PHE O 1 26 VAL N 3.400 2.400 3.900 2.851 2.789 2.895 . 0 0 "[ . 1 . ]" 2 22 1 23 ASN O 1 27 VAL H 2.400 . 2.900 2.187 2.024 2.317 . 0 0 "[ . 1 . ]" 2 23 1 23 ASN O 1 27 VAL N 3.400 2.400 3.900 3.152 2.999 3.298 . 0 0 "[ . 1 . ]" 2 24 1 24 LEU O 1 28 ARG H 2.400 . 2.900 2.445 2.398 2.469 . 0 0 "[ . 1 . ]" 2 25 1 24 LEU O 1 28 ARG N 3.400 2.600 3.900 3.182 3.117 3.241 . 0 0 "[ . 1 . ]" 2 26 1 25 LEU O 1 29 TYR H 2.600 . 3.100 2.687 2.654 2.735 . 0 0 "[ . 1 . ]" 2 27 1 25 LEU O 1 29 TYR N 3.400 2.600 3.900 3.503 3.451 3.541 . 0 0 "[ . 1 . ]" 2 28 1 26 VAL O 1 30 GLN H 2.400 . 2.900 2.107 2.030 2.215 . 0 0 "[ . 1 . ]" 2 29 1 26 VAL O 1 30 GLN N 3.400 2.400 3.900 2.773 2.743 2.801 . 0 0 "[ . 1 . ]" 2 30 1 27 VAL O 1 31 HIS H 4.500 3.900 5.000 4.317 3.898 4.489 0.002 13 0 "[ . 1 . ]" 2 31 1 27 VAL O 1 31 HIS N 5.500 4.500 6.000 5.214 4.799 5.385 . 0 0 "[ . 1 . ]" 2 32 1 28 ARG O 1 32 LYS H 4.500 3.900 5.000 4.556 4.504 4.597 . 0 0 "[ . 1 . ]" 2 33 1 28 ARG O 1 32 LYS N 5.500 4.500 6.000 5.467 5.408 5.513 . 0 0 "[ . 1 . ]" 2 34 1 29 TYR O 1 33 VAL H 2.400 . 2.900 1.845 1.797 1.890 0.003 16 0 "[ . 1 . ]" 2 35 1 29 TYR O 1 33 VAL N 3.400 2.400 3.900 2.825 2.766 2.884 . 0 0 "[ . 1 . ]" 2 36 1 30 GLN O 1 34 ALA H 2.400 . 2.900 2.527 2.482 2.562 . 0 0 "[ . 1 . ]" 2 37 1 30 GLN O 1 34 ALA N 3.400 2.600 3.900 3.384 3.326 3.412 . 0 0 "[ . 1 . ]" 2 38 1 31 HIS O 1 35 SER H 2.600 . 3.100 2.654 2.619 2.699 . 0 0 "[ . 1 . ]" 2 39 1 31 HIS O 1 35 SER N 3.400 2.600 3.900 3.458 3.402 3.501 . 0 0 "[ . 1 . ]" 2 40 1 32 LYS O 1 36 LEU H 2.600 . 3.100 2.662 2.478 2.740 . 0 0 "[ . 1 . ]" 2 41 1 32 LYS O 1 36 LEU N 3.600 2.400 4.100 3.381 3.177 3.472 . 0 0 "[ . 1 . ]" 2 42 1 33 VAL O 1 37 VAL H 2.400 . 2.900 1.989 1.921 2.069 . 0 0 "[ . 1 . ]" 2 43 1 33 VAL O 1 37 VAL N 3.400 2.400 3.900 2.962 2.894 3.025 . 0 0 "[ . 1 . ]" 2 44 1 34 ALA O 1 38 SER H 2.400 . 2.900 2.423 2.212 2.505 . 0 0 "[ . 1 . ]" 2 45 1 34 ALA O 1 38 SER N 3.400 2.400 3.900 3.263 3.068 3.362 . 0 0 "[ . 1 . ]" 2 46 1 45 ASP O 1 49 VAL H 2.400 . 2.900 2.111 2.056 2.178 . 0 0 "[ . 1 . ]" 2 47 1 45 ASP O 1 49 VAL N 3.400 2.400 3.900 3.010 2.963 3.073 . 0 0 "[ . 1 . ]" 2 48 1 46 VAL O 1 50 VAL H 2.400 . 2.900 1.904 1.872 1.942 . 0 0 "[ . 1 . ]" 2 49 1 46 VAL O 1 50 VAL N 3.400 2.400 3.900 2.835 2.793 2.877 . 0 0 "[ . 1 . ]" 2 50 1 47 PRO O 1 51 GLN H 2.400 . 2.900 2.470 2.413 2.509 . 0 0 "[ . 1 . ]" 2 51 1 47 PRO O 1 51 GLN N 3.400 2.400 3.900 3.343 3.294 3.377 . 0 0 "[ . 1 . ]" 2 52 1 48 ASP O 1 52 GLU H 2.400 . 2.900 2.471 2.431 2.509 . 0 0 "[ . 1 . ]" 2 53 1 48 ASP O 1 52 GLU N 3.400 2.600 3.900 3.282 3.207 3.352 . 0 0 "[ . 1 . ]" 2 54 1 49 VAL O 1 53 ALA H 2.400 . 2.900 2.372 2.254 2.432 . 0 0 "[ . 1 . ]" 2 55 1 49 VAL O 1 53 ALA N 3.400 2.400 3.900 3.104 2.998 3.215 . 0 0 "[ . 1 . ]" 2 56 1 50 VAL O 1 54 PHE H 2.400 . 2.900 2.327 2.159 2.419 . 0 0 "[ . 1 . ]" 2 57 1 50 VAL O 1 54 PHE N 3.400 2.400 3.900 3.209 3.087 3.327 . 0 0 "[ . 1 . ]" 2 58 1 51 GLN O 1 55 ILE H 2.400 . 2.900 2.387 2.022 2.495 . 0 0 "[ . 1 . ]" 2 59 1 51 GLN O 1 55 ILE N 3.400 2.400 3.900 3.318 2.994 3.407 . 0 0 "[ . 1 . ]" 2 60 1 52 GLU O 1 56 LYS H 2.400 . 2.900 2.238 1.862 2.433 . 0 0 "[ . 1 . ]" 2 61 1 52 GLU O 1 56 LYS N 3.400 2.400 3.900 3.114 2.775 3.296 . 0 0 "[ . 1 . ]" 2 62 1 53 ALA O 1 57 ALA H 2.400 . 2.900 2.418 2.291 2.487 . 0 0 "[ . 1 . ]" 2 63 1 53 ALA O 1 57 ALA N 3.400 2.400 3.900 3.257 3.169 3.329 . 0 0 "[ . 1 . ]" 2 64 1 54 PHE O 1 58 TYR H 2.400 . 2.900 1.987 1.941 2.047 . 0 0 "[ . 1 . ]" 2 65 1 54 PHE O 1 58 TYR N 3.400 2.400 3.900 2.833 2.800 2.879 . 0 0 "[ . 1 . ]" 2 66 1 55 ILE O 1 59 ARG H 2.550 . 3.050 2.576 2.486 2.636 . 0 0 "[ . 1 . ]" 2 67 1 55 ILE O 1 59 ARG N 3.550 2.600 4.050 3.495 3.393 3.584 . 0 0 "[ . 1 . ]" 2 68 1 56 LYS O 1 60 ALA H 2.550 . 3.050 2.634 2.338 2.687 . 0 0 "[ . 1 . ]" 2 69 1 56 LYS O 1 60 ALA N 3.550 2.600 4.050 3.273 2.943 3.327 . 0 0 "[ . 1 . ]" 2 70 1 57 ALA O 1 61 LEU H 2.400 . 2.900 2.134 2.086 2.223 . 0 0 "[ . 1 . ]" 2 71 1 57 ALA O 1 61 LEU N 3.400 2.400 3.900 2.768 2.739 2.820 . 0 0 "[ . 1 . ]" 2 72 1 70 PHE O 1 74 LEU H 2.400 . 2.900 2.090 1.987 2.179 . 0 0 "[ . 1 . ]" 2 73 1 70 PHE O 1 74 LEU N 3.400 2.400 3.900 2.977 2.894 3.052 . 0 0 "[ . 1 . ]" 2 74 1 71 TYR O 1 75 TYR H 2.400 . 2.900 1.893 1.803 2.050 . 0 0 "[ . 1 . ]" 2 75 1 71 TYR O 1 75 TYR N 3.400 2.400 3.900 2.821 2.745 2.953 . 0 0 "[ . 1 . ]" 2 76 1 72 THR O 1 76 ARG H 2.550 . 3.050 2.621 2.491 2.695 . 0 0 "[ . 1 . ]" 2 77 1 72 THR O 1 76 ARG N 3.550 2.600 4.050 3.509 3.361 3.611 . 0 0 "[ . 1 . ]" 2 78 1 73 TRP O 1 77 ILE H 2.400 . 2.900 2.411 2.313 2.470 . 0 0 "[ . 1 . ]" 2 79 1 73 TRP O 1 77 ILE N 3.400 2.500 3.900 3.319 3.193 3.438 . 0 0 "[ . 1 . ]" 2 80 1 74 LEU O 1 78 ALA H 2.400 . 2.900 2.072 1.939 2.304 . 0 0 "[ . 1 . ]" 2 81 1 74 LEU O 1 78 ALA N 3.400 2.400 3.900 2.986 2.866 3.228 . 0 0 "[ . 1 . ]" 2 82 1 75 TYR O 1 79 VAL H 2.400 . 2.900 2.197 2.026 2.362 . 0 0 "[ . 1 . ]" 2 83 1 75 TYR O 1 79 VAL N 3.400 2.400 3.900 3.169 2.987 3.329 . 0 0 "[ . 1 . ]" 2 84 1 76 ARG O 1 80 ASN H 2.400 . 2.900 2.440 2.212 2.549 . 0 0 "[ . 1 . ]" 2 85 1 76 ARG O 1 80 ASN N 3.400 2.400 3.900 3.331 3.158 3.421 . 0 0 "[ . 1 . ]" 2 86 1 77 ILE O 1 81 THR H 2.400 . 2.900 2.047 1.979 2.127 . 0 0 "[ . 1 . ]" 2 87 1 77 ILE O 1 81 THR N 3.400 2.400 3.900 2.809 2.747 2.892 . 0 0 "[ . 1 . ]" 2 88 1 78 ALA O 1 82 ALA H 2.400 . 2.900 2.221 2.136 2.374 . 0 0 "[ . 1 . ]" 2 89 1 78 ALA O 1 82 ALA N 3.400 2.400 3.900 3.173 3.076 3.310 . 0 0 "[ . 1 . ]" 2 90 1 79 VAL O 1 83 LYS H 2.400 . 2.900 2.238 2.024 2.427 . 0 0 "[ . 1 . ]" 2 91 1 79 VAL O 1 83 LYS N 3.400 2.400 3.900 3.088 2.935 3.278 . 0 0 "[ . 1 . ]" 2 92 1 80 ASN O 1 84 ASN H 2.400 . 2.900 2.280 1.989 2.457 . 0 0 "[ . 1 . ]" 2 93 1 80 ASN O 1 84 ASN N 3.400 2.400 3.900 3.131 2.897 3.295 . 0 0 "[ . 1 . ]" 2 94 1 81 THR O 1 85 TYR H 2.400 . 2.900 2.427 2.347 2.486 . 0 0 "[ . 1 . ]" 2 95 1 81 THR O 1 85 TYR N 3.400 2.400 3.900 3.178 3.074 3.241 . 0 0 "[ . 1 . ]" 2 96 1 82 ALA O 1 86 LEU H 2.600 . 3.100 2.758 2.707 2.802 . 0 0 "[ . 1 . ]" 2 97 1 82 ALA O 1 86 LEU N 3.600 2.400 4.100 3.546 3.476 3.614 . 0 0 "[ . 1 . ]" 2 98 1 83 LYS O 1 87 VAL H 2.700 . 3.200 2.727 2.516 2.834 . 0 0 "[ . 1 . ]" 2 99 1 83 LYS O 1 87 VAL N 3.550 2.500 4.050 3.566 3.442 3.643 . 0 0 "[ . 1 . ]" 2 100 1 84 ASN O 1 88 ALA H 2.400 . 2.900 2.410 2.253 2.550 . 0 0 "[ . 1 . ]" 2 101 1 84 ASN O 1 88 ALA N 3.400 2.500 3.900 3.137 2.969 3.301 . 0 0 "[ . 1 . ]" 2 102 1 85 TYR O 1 89 GLN H 2.700 . 3.200 2.786 2.593 2.906 . 0 0 "[ . 1 . ]" 2 103 1 85 TYR O 1 89 GLN N 3.700 2.400 4.200 3.547 3.163 3.673 . 0 0 "[ . 1 . ]" 2 104 1 86 LEU O 1 90 GLY H 2.800 . 3.300 2.621 2.248 2.944 . 0 0 "[ . 1 . ]" 2 105 1 86 LEU O 1 90 GLY N 3.800 2.500 4.300 3.307 2.991 3.802 . 0 0 "[ . 1 . ]" 2 106 1 87 VAL O 1 91 ARG H 2.800 . 3.300 2.588 2.133 2.876 . 0 0 "[ . 1 . ]" 2 107 1 87 VAL O 1 91 ARG N 3.800 2.500 4.300 3.307 2.991 3.573 . 0 0 "[ . 1 . ]" 2 108 1 65 ARG H 2 4 DC N3 2.400 . 2.900 1.960 1.920 2.088 . 0 0 "[ . 1 . ]" 2 109 1 65 ARG N 2 4 DC N3 3.400 2.400 3.900 2.953 2.911 3.088 . 0 0 "[ . 1 . ]" 2 110 1 67 ASP H 2 4 DC O2 2.400 . 2.900 2.081 2.015 2.162 . 0 0 "[ . 1 . ]" 2 111 1 67 ASP N 2 4 DC O2 3.400 2.400 3.900 2.931 2.895 3.007 . 0 0 "[ . 1 . ]" 2 112 1 66 GLY H 2 4 DC O2 2.400 . 2.900 2.466 2.449 2.488 . 0 0 "[ . 1 . ]" 2 113 1 66 GLY N 2 4 DC O2 3.400 2.400 3.900 3.070 3.028 3.135 . 0 0 "[ . 1 . ]" 2 114 1 80 ASN QD 2 3 DT O2 3.030 . 3.530 1.765 1.718 1.791 0.082 13 0 "[ . 1 . ]" 2 115 1 80 ASN ND2 2 3 DT O2 3.700 2.400 4.200 2.767 2.712 2.789 . 0 0 "[ . 1 . ]" 2 116 1 84 ASN QD 2 2 DG O6 2.690 . 3.190 2.316 1.874 2.540 . 0 0 "[ . 1 . ]" 2 117 1 84 ASN ND2 2 2 DG O6 3.400 2.400 3.900 3.134 2.854 3.369 . 0 0 "[ . 1 . ]" 2 stop_ save_
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