NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
400819 | 1v5q | 10109 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1v5q 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 1423 _Distance_constraint_stats_list.Viol_count 1862 _Distance_constraint_stats_list.Viol_total 3987.153 _Distance_constraint_stats_list.Viol_max 2.540 _Distance_constraint_stats_list.Viol_rms 0.0749 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0070 _Distance_constraint_stats_list.Viol_average_violations_only 0.1071 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 GLY 0.037 0.017 10 0 "[ . 1 . 2]" 1 10 GLN 1.561 0.149 14 0 "[ . 1 . 2]" 1 11 VAL 2.863 0.368 5 0 "[ . 1 . 2]" 1 12 VAL 2.061 0.325 6 0 "[ . 1 . 2]" 1 13 HIS 3.102 0.704 13 4 "[* . 1 +-. *2]" 1 14 THR 1.135 0.080 16 0 "[ . 1 . 2]" 1 15 GLU 3.685 0.704 13 4 "[* . 1 +-. *2]" 1 16 THR 1.157 0.060 18 0 "[ . 1 . 2]" 1 17 THR 1.041 0.052 3 0 "[ . 1 . 2]" 1 18 GLU 5.912 0.960 17 3 "[ - . *1 . + 2]" 1 19 VAL 3.256 0.401 17 0 "[ . 1 . 2]" 1 20 VAL 0.412 0.094 8 0 "[ . 1 . 2]" 1 21 LEU 2.533 0.716 19 3 "[ . 1 * - +2]" 1 22 THR 0.998 0.106 8 0 "[ . 1 . 2]" 1 23 ALA 3.486 0.247 18 0 "[ . 1 . 2]" 1 24 ASP 4.525 0.293 9 0 "[ . 1 . 2]" 1 25 PRO 1.427 0.140 18 0 "[ . 1 . 2]" 1 26 VAL 4.365 0.293 9 0 "[ . 1 . 2]" 1 27 THR 2.105 0.094 18 0 "[ . 1 . 2]" 1 28 GLY 5.801 0.247 18 0 "[ . 1 . 2]" 1 29 PHE 0.281 0.058 15 0 "[ . 1 . 2]" 1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 ILE 0.649 0.042 12 0 "[ . 1 . 2]" 1 32 GLN 1.074 0.135 16 0 "[ . 1 . 2]" 1 33 LEU 0.805 0.623 19 1 "[ . 1 . +2]" 1 34 GLN 6.699 0.625 9 4 "[ - *+1 . * 2]" 1 35 GLY 0.229 0.216 9 0 "[ . 1 . 2]" 1 36 SER 4.004 0.521 6 1 "[ .+ 1 . 2]" 1 37 VAL 0.780 0.196 10 0 "[ . 1 . 2]" 1 38 PHE 1.628 0.267 4 0 "[ . 1 . 2]" 1 39 ALA 2.931 0.521 6 1 "[ .+ 1 . 2]" 1 40 THR 0.108 0.073 20 0 "[ . 1 . 2]" 1 41 GLU 1.753 0.115 15 0 "[ . 1 . 2]" 1 42 THR 3.978 0.138 8 0 "[ . 1 . 2]" 1 43 LEU 9.670 0.484 9 0 "[ . 1 . 2]" 1 44 SER 6.311 0.484 9 0 "[ . 1 . 2]" 1 45 SER 0.138 0.109 17 0 "[ . 1 . 2]" 1 46 PRO 0.016 0.016 11 0 "[ . 1 . 2]" 1 47 PRO 0.786 0.248 11 0 "[ . 1 . 2]" 1 48 LEU 1.178 0.248 11 0 "[ . 1 . 2]" 1 49 ILE 2.130 0.357 5 0 "[ . 1 . 2]" 1 50 SER 6.464 0.625 9 4 "[ - *+1 . * 2]" 1 51 TYR 3.236 0.135 16 0 "[ . 1 . 2]" 1 52 ILE 1.830 0.168 12 0 "[ . 1 . 2]" 1 53 GLU 0.334 0.037 15 0 "[ . 1 . 2]" 1 54 ALA 2.026 0.389 19 0 "[ . 1 . 2]" 1 55 ASP 1.845 0.389 19 0 "[ . 1 . 2]" 1 56 SER 1.497 0.065 1 0 "[ . 1 . 2]" 1 57 PRO 2.360 0.336 14 0 "[ . 1 . 2]" 1 58 ALA 0.666 0.056 12 0 "[ . 1 . 2]" 1 59 GLU 0.045 0.016 12 0 "[ . 1 . 2]" 1 60 ARG 0.489 0.336 14 0 "[ . 1 . 2]" 1 61 CYS 10.713 0.991 13 3 "[ . 1 + - *2]" 1 62 GLY 5.598 0.317 18 0 "[ . 1 . 2]" 1 63 VAL 2.586 0.991 13 1 "[ . 1 + . 2]" 1 64 LEU 0.636 0.282 19 0 "[ . 1 . 2]" 1 65 GLN 3.045 0.168 12 0 "[ . 1 . 2]" 1 66 ILE 4.756 0.166 14 0 "[ . 1 . 2]" 1 67 GLY 0.687 0.109 19 0 "[ . 1 . 2]" 1 68 ASP 1.085 0.357 5 0 "[ . 1 . 2]" 1 69 ARG 61.722 2.540 20 20 [**-****************+] 1 70 VAL 0.142 0.033 16 0 "[ . 1 . 2]" 1 71 MET 0.309 0.063 17 0 "[ . 1 . 2]" 1 72 ALA 2.091 0.170 17 0 "[ . 1 . 2]" 1 73 ILE 3.379 0.202 11 0 "[ . 1 . 2]" 1 74 ASN 1.988 0.510 2 1 "[ + . 1 . 2]" 1 75 GLY 1.531 0.170 17 0 "[ . 1 . 2]" 1 76 ILE 4.277 0.345 14 0 "[ . 1 . 2]" 1 77 PRO 2.668 0.345 14 0 "[ . 1 . 2]" 1 78 THR 0.526 0.137 5 0 "[ . 1 . 2]" 1 79 GLU 4.814 0.607 17 6 "[ *. * 1-* . + *]" 1 80 ASP 4.814 0.607 17 6 "[ *. * 1-* . + *]" 1 81 SER 6.548 0.895 19 2 "[ . 1 - +2]" 1 82 THR 2.320 0.792 13 1 "[ . 1 + . 2]" 1 83 PHE 2.164 0.772 9 1 "[ . +1 . 2]" 1 84 GLU 6.174 0.943 13 4 "[ . *1* + . - 2]" 1 85 GLU 7.445 0.895 19 3 "[ . 1 * - +2]" 1 86 ALA 0.678 0.431 13 0 "[ . 1 . 2]" 1 87 ASN 1.098 0.623 19 1 "[ . 1 . +2]" 1 88 GLN 9.613 0.943 13 3 "[ . 1* + . - 2]" 1 89 LEU 4.137 0.510 2 1 "[ + . 1 . 2]" 1 90 LEU 0.360 0.240 19 0 "[ . 1 . 2]" 1 91 ARG 5.535 0.403 1 0 "[ . 1 . 2]" 1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 SER 0.041 0.026 2 0 "[ . 1 . 2]" 1 94 SER 0.022 0.019 17 0 "[ . 1 . 2]" 1 95 ILE 5.606 0.265 19 0 "[ . 1 . 2]" 1 96 THR 0.169 0.031 8 0 "[ . 1 . 2]" 1 97 SER 0.246 0.031 8 0 "[ . 1 . 2]" 1 98 LYS 0.227 0.039 8 0 "[ . 1 . 2]" 1 99 VAL 0.822 0.300 16 0 "[ . 1 . 2]" 1 100 THR 3.571 0.960 17 3 "[ - . *1 . + 2]" 1 101 LEU 0.784 0.082 11 0 "[ . 1 . 2]" 1 102 GLU 1.115 0.153 7 0 "[ . 1 . 2]" 1 103 ILE 50.104 2.540 20 20 [**-****************+] 1 104 GLU 0.858 0.091 20 0 "[ . 1 . 2]" 1 105 PHE 1.238 0.134 20 0 "[ . 1 . 2]" 1 106 ASP 1.565 0.325 6 0 "[ . 1 . 2]" 1 107 VAL 0.707 0.120 16 0 "[ . 1 . 2]" 1 108 ALA 0.277 0.120 16 0 "[ . 1 . 2]" 1 109 GLU 4.380 0.518 11 1 "[ . 1+ . 2]" 1 110 SER 1.959 0.488 8 0 "[ . 1 . 2]" 1 111 VAL 0.544 0.262 16 0 "[ . 1 . 2]" 1 112 ILE 4.888 0.431 15 0 "[ . 1 . 2]" 1 113 PRO 4.089 0.431 15 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 8 ALA MB 1 9 GLY H . . 4.760 2.566 1.985 3.703 . 0 0 "[ . 1 . 2]" 1 2 1 9 GLY H 1 10 GLN H . . 3.890 3.384 2.236 3.907 0.017 10 0 "[ . 1 . 2]" 1 3 1 9 GLY QA 1 10 GLN H . . 3.280 2.298 2.171 2.684 . 0 0 "[ . 1 . 2]" 1 4 1 9 GLY QA 1 11 VAL QG . . 4.370 4.156 2.597 4.379 0.009 5 0 "[ . 1 . 2]" 1 5 1 10 GLN H 1 10 GLN HB2 . . 4.040 2.941 2.028 4.089 0.049 5 0 "[ . 1 . 2]" 1 6 1 10 GLN H 1 10 GLN HB3 . . 3.550 3.221 2.383 3.642 0.092 4 0 "[ . 1 . 2]" 1 7 1 10 GLN H 1 10 GLN QG . . 4.200 2.586 1.857 4.204 0.004 9 0 "[ . 1 . 2]" 1 8 1 10 GLN H 1 11 VAL H . . 4.760 4.307 1.886 4.668 . 0 0 "[ . 1 . 2]" 1 9 1 10 GLN H 1 11 VAL QG . . 4.960 4.241 2.529 4.824 . 0 0 "[ . 1 . 2]" 1 10 1 10 GLN HA 1 10 GLN QG . . 3.840 2.714 1.984 3.353 . 0 0 "[ . 1 . 2]" 1 11 1 10 GLN HA 1 11 VAL H . . 2.970 2.512 2.207 3.080 0.110 11 0 "[ . 1 . 2]" 1 12 1 10 GLN HA 1 11 VAL QG . . 4.050 3.786 3.264 4.136 0.086 14 0 "[ . 1 . 2]" 1 13 1 10 GLN HB2 1 11 VAL H . . 4.140 3.552 1.933 4.267 0.127 14 0 "[ . 1 . 2]" 1 14 1 10 GLN HB3 1 11 VAL H . . 4.130 3.416 1.930 4.279 0.149 14 0 "[ . 1 . 2]" 1 15 1 10 GLN QG 1 11 VAL H . . 4.670 3.826 1.925 4.662 . 0 0 "[ . 1 . 2]" 1 16 1 11 VAL H 1 11 VAL HB . . 3.340 3.156 2.546 3.708 0.368 5 0 "[ . 1 . 2]" 1 17 1 11 VAL H 1 11 VAL QG . . 3.350 2.686 1.787 3.168 . 0 0 "[ . 1 . 2]" 1 18 1 11 VAL HA 1 12 VAL H . . 2.520 2.508 2.303 2.589 0.069 6 0 "[ . 1 . 2]" 1 19 1 11 VAL HA 1 12 VAL HA . . 4.450 4.339 4.298 4.412 . 0 0 "[ . 1 . 2]" 1 20 1 11 VAL HA 1 12 VAL HB . . 4.370 4.263 4.027 4.376 0.006 12 0 "[ . 1 . 2]" 1 21 1 11 VAL HB 1 12 VAL H . . 3.840 3.751 2.441 3.885 0.045 15 0 "[ . 1 . 2]" 1 22 1 11 VAL QG 1 12 VAL H . . 3.270 1.939 1.777 3.061 . 0 0 "[ . 1 . 2]" 1 23 1 11 VAL QG 1 12 VAL HA . . 4.370 3.669 3.387 4.091 . 0 0 "[ . 1 . 2]" 1 24 1 12 VAL H 1 12 VAL HB . . 3.230 2.590 2.295 2.909 . 0 0 "[ . 1 . 2]" 1 25 1 12 VAL H 1 12 VAL MG1 . . 3.840 2.197 1.971 2.473 . 0 0 "[ . 1 . 2]" 1 26 1 12 VAL H 1 13 HIS H . . 4.670 4.574 4.490 4.621 . 0 0 "[ . 1 . 2]" 1 27 1 12 VAL HA 1 12 VAL MG1 . . 3.260 3.204 3.153 3.217 . 0 0 "[ . 1 . 2]" 1 28 1 12 VAL HA 1 12 VAL MG2 . . 3.500 2.195 2.054 2.288 . 0 0 "[ . 1 . 2]" 1 29 1 12 VAL HA 1 13 HIS H . . 2.970 2.459 2.443 2.471 . 0 0 "[ . 1 . 2]" 1 30 1 12 VAL HB 1 13 HIS H . . 3.980 3.990 3.968 4.085 0.105 13 0 "[ . 1 . 2]" 1 31 1 12 VAL HB 1 109 GLU QG . . 3.600 3.176 2.512 3.600 . 0 0 "[ . 1 . 2]" 1 32 1 12 VAL MG1 1 13 HIS H . . 3.640 3.268 2.791 3.362 . 0 0 "[ . 1 . 2]" 1 33 1 12 VAL MG1 1 14 THR H . . 5.090 5.047 4.674 5.094 0.004 3 0 "[ . 1 . 2]" 1 34 1 12 VAL MG1 1 106 ASP HB2 . . 3.530 3.470 3.117 3.855 0.325 6 0 "[ . 1 . 2]" 1 35 1 12 VAL MG1 1 106 ASP HB3 . . 3.840 3.498 2.339 3.860 0.020 20 0 "[ . 1 . 2]" 1 36 1 12 VAL MG1 1 107 VAL H . . 3.970 3.801 3.386 3.965 . 0 0 "[ . 1 . 2]" 1 37 1 12 VAL MG1 1 109 GLU QG . . 4.540 4.184 3.794 4.464 . 0 0 "[ . 1 . 2]" 1 38 1 12 VAL MG2 1 13 HIS H . . 3.690 1.950 1.890 2.093 . 0 0 "[ . 1 . 2]" 1 39 1 12 VAL MG2 1 106 ASP HB2 . . 4.240 3.538 3.068 4.285 0.045 15 0 "[ . 1 . 2]" 1 40 1 12 VAL MG2 1 106 ASP HB3 . . 4.540 4.162 3.135 4.546 0.006 13 0 "[ . 1 . 2]" 1 41 1 12 VAL MG2 1 107 VAL H . . 4.200 2.692 2.423 3.083 . 0 0 "[ . 1 . 2]" 1 42 1 12 VAL MG2 1 109 GLU H . . 4.280 3.431 2.820 4.022 . 0 0 "[ . 1 . 2]" 1 43 1 12 VAL MG2 1 109 GLU HB2 . . 4.540 3.553 2.091 4.446 . 0 0 "[ . 1 . 2]" 1 44 1 12 VAL MG2 1 109 GLU HB3 . . 4.540 3.871 2.368 4.527 . 0 0 "[ . 1 . 2]" 1 45 1 12 VAL MG2 1 109 GLU QG . . 3.970 2.033 1.764 2.549 . 0 0 "[ . 1 . 2]" 1 46 1 13 HIS H 1 13 HIS HB2 . . 3.810 3.703 3.642 3.798 . 0 0 "[ . 1 . 2]" 1 47 1 13 HIS H 1 13 HIS HB3 . . 3.980 2.946 2.783 3.145 . 0 0 "[ . 1 . 2]" 1 48 1 13 HIS H 1 107 VAL H . . 4.010 3.997 3.890 4.023 0.013 12 0 "[ . 1 . 2]" 1 49 1 13 HIS H 1 107 VAL HB . . 4.530 3.990 3.566 4.647 0.117 16 0 "[ . 1 . 2]" 1 50 1 13 HIS HA 1 14 THR H . . 3.000 2.497 2.470 2.517 . 0 0 "[ . 1 . 2]" 1 51 1 13 HIS HB2 1 13 HIS HD2 . . 3.460 2.807 2.738 2.927 . 0 0 "[ . 1 . 2]" 1 52 1 13 HIS HB2 1 14 THR H . . 3.550 2.466 2.426 2.514 . 0 0 "[ . 1 . 2]" 1 53 1 13 HIS HB3 1 14 THR H . . 3.840 3.838 3.803 3.865 0.025 20 0 "[ . 1 . 2]" 1 54 1 13 HIS HD2 1 14 THR H . . 3.890 3.730 3.387 3.890 . 0 0 "[ . 1 . 2]" 1 55 1 13 HIS HD2 1 15 GLU HG2 . . 3.840 3.273 2.504 3.831 . 0 0 "[ . 1 . 2]" 1 56 1 13 HIS HD2 1 15 GLU HG3 . . 3.140 2.787 2.074 3.844 0.704 13 4 "[* . 1 +-. *2]" 1 57 1 13 HIS HD2 1 107 VAL QG . . 4.030 2.633 2.053 3.148 . 0 0 "[ . 1 . 2]" 1 58 1 13 HIS HE1 1 107 VAL HB . . 4.030 3.409 2.688 4.044 0.014 20 0 "[ . 1 . 2]" 1 59 1 13 HIS HE1 1 107 VAL QG . . 3.140 2.902 2.357 3.086 . 0 0 "[ . 1 . 2]" 1 60 1 14 THR H 1 14 THR HB . . 3.680 3.620 3.552 3.650 . 0 0 "[ . 1 . 2]" 1 61 1 14 THR H 1 14 THR MG . . 3.500 3.192 3.053 3.338 . 0 0 "[ . 1 . 2]" 1 62 1 14 THR H 1 15 GLU H . . 4.470 4.426 4.373 4.495 0.025 19 0 "[ . 1 . 2]" 1 63 1 14 THR HA 1 14 THR MG . . 3.180 2.292 2.226 2.332 . 0 0 "[ . 1 . 2]" 1 64 1 14 THR HA 1 15 GLU H . . 3.130 2.244 2.188 2.363 . 0 0 "[ . 1 . 2]" 1 65 1 14 THR HA 1 106 ASP HA . . 4.140 2.645 2.208 3.249 . 0 0 "[ . 1 . 2]" 1 66 1 14 THR HA 1 107 VAL H . . 3.980 3.263 2.913 3.516 . 0 0 "[ . 1 . 2]" 1 67 1 14 THR HA 1 107 VAL QG . . 3.970 2.679 2.006 3.162 . 0 0 "[ . 1 . 2]" 1 68 1 14 THR HB 1 15 GLU H . . 3.370 3.155 2.785 3.372 0.002 16 0 "[ . 1 . 2]" 1 69 1 14 THR HB 1 104 GLU HB2 . . 4.540 4.559 4.526 4.583 0.043 16 0 "[ . 1 . 2]" 1 70 1 14 THR HB 1 104 GLU HG2 . . 3.530 3.316 3.046 3.542 0.012 16 0 "[ . 1 . 2]" 1 71 1 14 THR HB 1 104 GLU HG3 . . 3.470 2.339 2.171 2.644 . 0 0 "[ . 1 . 2]" 1 72 1 14 THR HB 1 105 PHE H . . 4.850 4.014 3.816 4.389 . 0 0 "[ . 1 . 2]" 1 73 1 14 THR MG 1 15 GLU H . . 3.640 3.666 3.595 3.720 0.080 16 0 "[ . 1 . 2]" 1 74 1 14 THR MG 1 104 GLU HG2 . . 3.780 3.452 3.313 3.586 . 0 0 "[ . 1 . 2]" 1 75 1 14 THR MG 1 104 GLU HG3 . . 3.530 3.356 3.246 3.444 . 0 0 "[ . 1 . 2]" 1 76 1 14 THR MG 1 105 PHE H . . 4.600 4.371 3.906 4.590 . 0 0 "[ . 1 . 2]" 1 77 1 14 THR MG 1 106 ASP HA . . 3.730 2.115 1.908 2.324 . 0 0 "[ . 1 . 2]" 1 78 1 14 THR MG 1 107 VAL H . . 4.140 3.653 3.130 3.937 . 0 0 "[ . 1 . 2]" 1 79 1 15 GLU H 1 15 GLU HB2 . . 3.660 2.462 2.296 2.638 . 0 0 "[ . 1 . 2]" 1 80 1 15 GLU H 1 15 GLU HG2 . . 4.540 3.924 3.685 4.144 . 0 0 "[ . 1 . 2]" 1 81 1 15 GLU H 1 15 GLU HG3 . . 4.280 3.603 2.869 4.519 0.239 13 0 "[ . 1 . 2]" 1 82 1 15 GLU H 1 16 THR H . . 4.850 4.489 4.417 4.541 . 0 0 "[ . 1 . 2]" 1 83 1 15 GLU H 1 104 GLU HA . . 5.090 4.591 4.290 4.738 . 0 0 "[ . 1 . 2]" 1 84 1 15 GLU H 1 105 PHE H . . 3.830 3.095 2.747 3.417 . 0 0 "[ . 1 . 2]" 1 85 1 15 GLU H 1 106 ASP HA . . 4.960 3.838 3.471 4.492 . 0 0 "[ . 1 . 2]" 1 86 1 15 GLU H 1 107 VAL QG . . 4.530 2.711 2.124 3.204 . 0 0 "[ . 1 . 2]" 1 87 1 15 GLU HA 1 15 GLU HG2 . . 3.840 2.203 1.999 2.411 . 0 0 "[ . 1 . 2]" 1 88 1 15 GLU HA 1 15 GLU HG3 . . 3.730 3.208 2.892 3.528 . 0 0 "[ . 1 . 2]" 1 89 1 15 GLU HA 1 16 THR H . . 3.070 2.437 2.305 2.766 . 0 0 "[ . 1 . 2]" 1 90 1 15 GLU HA 1 16 THR MG . . 4.090 3.900 3.623 4.118 0.028 16 0 "[ . 1 . 2]" 1 91 1 15 GLU HB2 1 16 THR H . . 4.050 3.987 3.581 4.077 0.027 20 0 "[ . 1 . 2]" 1 92 1 15 GLU HB2 1 105 PHE QE . . 4.370 2.839 2.209 3.713 . 0 0 "[ . 1 . 2]" 1 93 1 15 GLU HB2 1 105 PHE HZ . . 4.370 3.073 2.067 3.723 . 0 0 "[ . 1 . 2]" 1 94 1 15 GLU HB2 1 107 VAL QG . . 3.970 2.446 1.955 2.741 . 0 0 "[ . 1 . 2]" 1 95 1 15 GLU HB3 1 16 THR H . . 3.440 2.698 2.033 2.975 . 0 0 "[ . 1 . 2]" 1 96 1 15 GLU HB3 1 105 PHE QE . . 4.370 3.309 2.707 4.186 . 0 0 "[ . 1 . 2]" 1 97 1 15 GLU HB3 1 105 PHE HZ . . 4.370 2.740 2.129 3.912 . 0 0 "[ . 1 . 2]" 1 98 1 15 GLU HB3 1 107 VAL QG . . 3.900 3.693 3.256 3.875 . 0 0 "[ . 1 . 2]" 1 99 1 15 GLU HG2 1 16 THR H . . 4.320 3.840 3.472 4.249 . 0 0 "[ . 1 . 2]" 1 100 1 15 GLU HG3 1 16 THR H . . 5.310 4.817 4.238 5.183 . 0 0 "[ . 1 . 2]" 1 101 1 15 GLU HG3 1 107 VAL QG . . 3.500 2.235 1.844 2.987 . 0 0 "[ . 1 . 2]" 1 102 1 16 THR H 1 16 THR HB . . 3.680 3.485 3.376 3.669 . 0 0 "[ . 1 . 2]" 1 103 1 16 THR H 1 16 THR MG . . 3.300 3.164 2.984 3.300 . 0 0 "[ . 1 . 2]" 1 104 1 16 THR H 1 17 THR H . . 4.530 4.511 4.386 4.565 0.035 7 0 "[ . 1 . 2]" 1 105 1 16 THR HA 1 16 THR MG . . 3.230 2.291 2.216 2.331 . 0 0 "[ . 1 . 2]" 1 106 1 16 THR HA 1 17 THR H . . 3.040 2.271 2.206 2.380 . 0 0 "[ . 1 . 2]" 1 107 1 16 THR HA 1 17 THR MG . . 4.370 3.731 3.473 3.892 . 0 0 "[ . 1 . 2]" 1 108 1 16 THR HA 1 104 GLU HA . . 3.420 2.301 2.036 2.566 . 0 0 "[ . 1 . 2]" 1 109 1 16 THR HA 1 104 GLU HB2 . . 4.540 3.633 3.122 4.108 . 0 0 "[ . 1 . 2]" 1 110 1 16 THR HA 1 105 PHE H . . 4.140 3.612 3.297 4.148 0.008 16 0 "[ . 1 . 2]" 1 111 1 16 THR HA 1 105 PHE QD . . 4.540 3.557 3.250 4.325 . 0 0 "[ . 1 . 2]" 1 112 1 16 THR HB 1 17 THR H . . 3.370 3.111 2.799 3.372 0.002 16 0 "[ . 1 . 2]" 1 113 1 16 THR HB 1 102 GLU HG2 . . 4.140 3.231 2.053 3.898 . 0 0 "[ . 1 . 2]" 1 114 1 16 THR HB 1 102 GLU HG3 . . 4.050 2.691 2.388 3.150 . 0 0 "[ . 1 . 2]" 1 115 1 16 THR HB 1 103 ILE H . . 4.760 4.460 4.120 4.724 . 0 0 "[ . 1 . 2]" 1 116 1 16 THR MG 1 17 THR H . . 3.680 3.518 3.346 3.686 0.006 8 0 "[ . 1 . 2]" 1 117 1 16 THR MG 1 71 MET ME . . 4.050 3.779 2.853 4.090 0.040 14 0 "[ . 1 . 2]" 1 118 1 16 THR MG 1 71 MET QG . . 3.780 2.530 1.862 2.940 . 0 0 "[ . 1 . 2]" 1 119 1 16 THR MG 1 102 GLU HG2 . . 3.120 2.813 2.384 3.159 0.039 10 0 "[ . 1 . 2]" 1 120 1 16 THR MG 1 102 GLU HG3 . . 3.780 3.223 2.833 3.581 . 0 0 "[ . 1 . 2]" 1 121 1 16 THR MG 1 103 ILE H . . 4.240 4.271 4.241 4.300 0.060 18 0 "[ . 1 . 2]" 1 122 1 16 THR MG 1 104 GLU HA . . 3.600 2.770 2.451 3.046 . 0 0 "[ . 1 . 2]" 1 123 1 16 THR MG 1 104 GLU HB2 . . 4.540 2.212 1.890 2.733 . 0 0 "[ . 1 . 2]" 1 124 1 16 THR MG 1 104 GLU HG3 . . 4.370 3.564 3.089 4.062 . 0 0 "[ . 1 . 2]" 1 125 1 16 THR MG 1 105 PHE H . . 4.760 4.215 3.837 4.603 . 0 0 "[ . 1 . 2]" 1 126 1 17 THR H 1 17 THR HB . . 4.140 3.073 2.858 3.294 . 0 0 "[ . 1 . 2]" 1 127 1 17 THR H 1 17 THR MG . . 3.500 2.291 2.079 2.495 . 0 0 "[ . 1 . 2]" 1 128 1 17 THR H 1 102 GLU HA . . 4.760 4.164 3.849 4.571 . 0 0 "[ . 1 . 2]" 1 129 1 17 THR H 1 103 ILE H . . 3.830 2.769 2.636 2.954 . 0 0 "[ . 1 . 2]" 1 130 1 17 THR H 1 103 ILE HA . . 4.760 4.633 4.537 4.728 . 0 0 "[ . 1 . 2]" 1 131 1 17 THR H 1 103 ILE HB . . 4.600 3.386 3.073 3.660 . 0 0 "[ . 1 . 2]" 1 132 1 17 THR H 1 103 ILE MG . . 4.960 4.287 4.108 4.432 . 0 0 "[ . 1 . 2]" 1 133 1 17 THR H 1 104 GLU HA . . 4.370 3.691 3.558 3.935 . 0 0 "[ . 1 . 2]" 1 134 1 17 THR H 1 105 PHE QE . . 4.850 2.989 2.432 3.886 . 0 0 "[ . 1 . 2]" 1 135 1 17 THR HA 1 18 GLU H . . 3.300 2.302 2.228 2.459 . 0 0 "[ . 1 . 2]" 1 136 1 17 THR HB 1 18 GLU H . . 4.240 4.087 3.820 4.260 0.020 12 0 "[ . 1 . 2]" 1 137 1 17 THR HB 1 105 PHE QE . . 3.520 2.061 1.996 2.313 . 0 0 "[ . 1 . 2]" 1 138 1 17 THR MG 1 18 GLU H . . 3.680 3.679 3.523 3.713 0.033 19 0 "[ . 1 . 2]" 1 139 1 17 THR MG 1 18 GLU HA . . 4.370 3.900 3.766 4.016 . 0 0 "[ . 1 . 2]" 1 140 1 17 THR MG 1 63 VAL HB . . 4.140 3.992 3.286 4.152 0.012 12 0 "[ . 1 . 2]" 1 141 1 17 THR MG 1 103 ILE H . . 4.240 2.694 2.389 3.044 . 0 0 "[ . 1 . 2]" 1 142 1 17 THR MG 1 103 ILE HB . . 3.570 1.978 1.833 2.112 . 0 0 "[ . 1 . 2]" 1 143 1 17 THR MG 1 103 ILE HG12 . . 3.600 3.417 2.897 3.631 0.031 16 0 "[ . 1 . 2]" 1 144 1 17 THR MG 1 103 ILE HG13 . . 3.970 3.269 2.775 3.745 . 0 0 "[ . 1 . 2]" 1 145 1 17 THR MG 1 103 ILE MG . . 2.930 2.936 2.765 2.982 0.052 3 0 "[ . 1 . 2]" 1 146 1 17 THR MG 1 105 PHE QD . . 3.460 2.860 2.528 3.184 . 0 0 "[ . 1 . 2]" 1 147 1 17 THR MG 1 105 PHE QE . . 3.310 2.741 2.331 3.330 0.020 16 0 "[ . 1 . 2]" 1 148 1 18 GLU H 1 18 GLU HB2 . . 3.680 2.926 2.296 3.296 . 0 0 "[ . 1 . 2]" 1 149 1 18 GLU H 1 18 GLU HB3 . . 3.730 2.643 2.315 3.497 . 0 0 "[ . 1 . 2]" 1 150 1 18 GLU H 1 18 GLU HG2 . . 4.850 4.306 3.922 4.764 . 0 0 "[ . 1 . 2]" 1 151 1 18 GLU H 1 19 VAL H . . 4.760 4.356 4.179 4.488 . 0 0 "[ . 1 . 2]" 1 152 1 18 GLU HA 1 18 GLU HG2 . . 3.840 3.018 2.628 3.660 . 0 0 "[ . 1 . 2]" 1 153 1 18 GLU HA 1 18 GLU HG3 . . 4.140 2.790 2.141 3.517 . 0 0 "[ . 1 . 2]" 1 154 1 18 GLU HA 1 19 VAL H . . 2.950 2.206 2.202 2.217 . 0 0 "[ . 1 . 2]" 1 155 1 18 GLU HA 1 19 VAL HB . . 4.760 4.651 4.263 4.782 0.022 17 0 "[ . 1 . 2]" 1 156 1 18 GLU HA 1 19 VAL QG . . 4.240 3.545 3.335 4.096 . 0 0 "[ . 1 . 2]" 1 157 1 18 GLU HA 1 100 THR MG . . 4.240 3.443 2.990 3.835 . 0 0 "[ . 1 . 2]" 1 158 1 18 GLU HA 1 101 LEU H . . 5.100 4.305 3.724 4.866 . 0 0 "[ . 1 . 2]" 1 159 1 18 GLU HA 1 102 GLU HA . . 3.390 3.035 2.742 3.352 . 0 0 "[ . 1 . 2]" 1 160 1 18 GLU HA 1 103 ILE H . . 3.970 3.904 3.608 4.004 0.034 20 0 "[ . 1 . 2]" 1 161 1 18 GLU HB2 1 19 VAL H . . 4.240 4.328 4.144 4.641 0.401 17 0 "[ . 1 . 2]" 1 162 1 18 GLU HB2 1 100 THR MG . . 3.500 3.542 3.046 4.460 0.960 17 3 "[ - . *1 . + 2]" 1 163 1 18 GLU HG2 1 19 VAL H . . 4.240 3.485 2.522 4.276 0.036 9 0 "[ . 1 . 2]" 1 164 1 18 GLU HG2 1 100 THR MG . . 3.420 2.628 1.840 3.422 0.002 4 0 "[ . 1 . 2]" 1 165 1 18 GLU HG3 1 19 VAL H . . 4.280 3.717 2.897 4.289 0.009 5 0 "[ . 1 . 2]" 1 166 1 18 GLU HG3 1 100 THR MG . . 3.300 2.262 1.766 3.269 . 0 0 "[ . 1 . 2]" 1 167 1 19 VAL H 1 19 VAL HB . . 3.570 2.600 2.522 2.692 . 0 0 "[ . 1 . 2]" 1 168 1 19 VAL H 1 19 VAL QG . . 3.760 2.302 1.955 2.485 . 0 0 "[ . 1 . 2]" 1 169 1 19 VAL H 1 20 VAL H . . 4.850 4.429 4.202 4.577 . 0 0 "[ . 1 . 2]" 1 170 1 19 VAL H 1 100 THR HA . . 5.090 3.902 3.670 4.139 . 0 0 "[ . 1 . 2]" 1 171 1 19 VAL H 1 100 THR MG . . 4.320 3.591 3.017 4.006 . 0 0 "[ . 1 . 2]" 1 172 1 19 VAL H 1 101 LEU H . . 3.960 2.726 2.331 3.141 . 0 0 "[ . 1 . 2]" 1 173 1 19 VAL H 1 101 LEU QB . . 4.760 3.447 3.276 3.683 . 0 0 "[ . 1 . 2]" 1 174 1 19 VAL H 1 102 GLU HA . . 4.280 3.967 3.669 4.265 . 0 0 "[ . 1 . 2]" 1 175 1 19 VAL H 1 103 ILE H . . 4.600 4.541 4.303 4.632 0.032 20 0 "[ . 1 . 2]" 1 176 1 19 VAL HA 1 19 VAL QG . . 3.280 2.103 2.015 2.244 . 0 0 "[ . 1 . 2]" 1 177 1 19 VAL HA 1 20 VAL H . . 2.940 2.212 2.182 2.346 . 0 0 "[ . 1 . 2]" 1 178 1 19 VAL HA 1 20 VAL HB . . 4.370 4.365 4.165 4.464 0.094 8 0 "[ . 1 . 2]" 1 179 1 19 VAL HA 1 20 VAL QG . . 4.050 3.810 3.645 3.942 . 0 0 "[ . 1 . 2]" 1 180 1 19 VAL HA 1 101 LEU H . . 5.440 4.693 4.426 4.899 . 0 0 "[ . 1 . 2]" 1 181 1 19 VAL HB 1 20 VAL H . . 4.370 4.244 4.008 4.411 0.041 12 0 "[ . 1 . 2]" 1 182 1 19 VAL HB 1 101 LEU H . . 4.240 3.225 2.535 4.322 0.082 11 0 "[ . 1 . 2]" 1 183 1 19 VAL HB 1 101 LEU QB . . 4.240 2.542 2.068 3.776 . 0 0 "[ . 1 . 2]" 1 184 1 19 VAL HB 1 101 LEU QD . . 4.050 3.360 2.424 4.130 0.080 12 0 "[ . 1 . 2]" 1 185 1 19 VAL QG 1 20 VAL H . . 3.440 2.675 2.208 3.087 . 0 0 "[ . 1 . 2]" 1 186 1 19 VAL QG 1 101 LEU H . . 4.370 3.158 1.869 3.789 . 0 0 "[ . 1 . 2]" 1 187 1 19 VAL QG 1 101 LEU QB . . 3.470 2.449 1.736 2.847 . 0 0 "[ . 1 . 2]" 1 188 1 19 VAL QG 1 102 GLU HA . . 4.760 4.333 3.748 4.754 . 0 0 "[ . 1 . 2]" 1 189 1 20 VAL H 1 20 VAL HB . . 3.280 2.561 2.311 3.034 . 0 0 "[ . 1 . 2]" 1 190 1 20 VAL H 1 20 VAL QG . . 3.300 2.490 1.983 2.915 . 0 0 "[ . 1 . 2]" 1 191 1 20 VAL H 1 21 LEU H . . 4.850 4.203 3.979 4.402 . 0 0 "[ . 1 . 2]" 1 192 1 20 VAL HA 1 20 VAL QG . . 3.150 2.118 2.036 2.328 . 0 0 "[ . 1 . 2]" 1 193 1 20 VAL HA 1 21 LEU H . . 3.060 2.202 2.182 2.228 . 0 0 "[ . 1 . 2]" 1 194 1 20 VAL HA 1 99 VAL H . . 4.670 3.715 3.478 4.215 . 0 0 "[ . 1 . 2]" 1 195 1 20 VAL HB 1 21 LEU H . . 4.850 4.532 4.438 4.599 . 0 0 "[ . 1 . 2]" 1 196 1 20 VAL QG 1 21 LEU H . . 3.500 3.062 2.780 3.240 . 0 0 "[ . 1 . 2]" 1 197 1 20 VAL QG 1 98 LYS QB . . 3.640 3.474 2.118 3.602 . 0 0 "[ . 1 . 2]" 1 198 1 20 VAL QG 1 98 LYS QD . . 3.300 2.450 1.938 3.208 . 0 0 "[ . 1 . 2]" 1 199 1 20 VAL QG 1 98 LYS QE . . 3.390 2.063 1.717 2.523 . 0 0 "[ . 1 . 2]" 1 200 1 20 VAL QG 1 98 LYS QG . . 3.260 1.893 1.784 2.077 . 0 0 "[ . 1 . 2]" 1 201 1 20 VAL QG 1 99 VAL H . . 4.600 3.476 3.030 3.934 . 0 0 "[ . 1 . 2]" 1 202 1 21 LEU H 1 21 LEU HB2 . . 4.050 2.585 2.456 2.734 . 0 0 "[ . 1 . 2]" 1 203 1 21 LEU H 1 21 LEU QD . . 4.240 3.194 2.245 3.501 . 0 0 "[ . 1 . 2]" 1 204 1 21 LEU H 1 21 LEU HG . . 4.160 2.920 2.512 4.220 0.060 17 0 "[ . 1 . 2]" 1 205 1 21 LEU H 1 22 THR H . . 4.850 4.454 4.231 4.549 . 0 0 "[ . 1 . 2]" 1 206 1 21 LEU H 1 98 LYS HA . . 4.760 4.194 3.792 4.451 . 0 0 "[ . 1 . 2]" 1 207 1 21 LEU H 1 99 VAL H . . 3.940 2.640 2.425 2.858 . 0 0 "[ . 1 . 2]" 1 208 1 21 LEU H 1 99 VAL QG . . 4.370 2.331 2.124 2.673 . 0 0 "[ . 1 . 2]" 1 209 1 21 LEU HA 1 21 LEU QD . . 3.040 2.208 1.894 2.476 . 0 0 "[ . 1 . 2]" 1 210 1 21 LEU HA 1 21 LEU HG . . 4.140 3.108 2.982 3.550 . 0 0 "[ . 1 . 2]" 1 211 1 21 LEU HA 1 22 THR H . . 3.120 2.227 2.180 2.274 . 0 0 "[ . 1 . 2]" 1 212 1 21 LEU HB2 1 22 THR H . . 4.540 4.130 3.965 4.511 . 0 0 "[ . 1 . 2]" 1 213 1 21 LEU HB2 1 29 PHE QD . . 3.670 2.468 1.964 3.029 . 0 0 "[ . 1 . 2]" 1 214 1 21 LEU HB2 1 99 VAL QG . . 3.640 2.028 1.848 2.169 . 0 0 "[ . 1 . 2]" 1 215 1 21 LEU HB3 1 21 LEU QD . . 3.080 2.166 2.020 2.580 . 0 0 "[ . 1 . 2]" 1 216 1 21 LEU HB3 1 22 THR H . . 4.240 3.217 2.987 3.881 . 0 0 "[ . 1 . 2]" 1 217 1 21 LEU HB3 1 29 PHE QD . . 3.520 2.696 2.356 2.918 . 0 0 "[ . 1 . 2]" 1 218 1 21 LEU HB3 1 57 PRO HB2 . . 4.370 2.573 2.334 2.693 . 0 0 "[ . 1 . 2]" 1 219 1 21 LEU HB3 1 57 PRO HB3 . . 4.240 4.164 3.845 4.271 0.031 18 0 "[ . 1 . 2]" 1 220 1 21 LEU HB3 1 99 VAL QG . . 4.370 3.390 3.168 3.522 . 0 0 "[ . 1 . 2]" 1 221 1 21 LEU QD 1 22 THR H . . 3.780 3.637 3.498 3.706 . 0 0 "[ . 1 . 2]" 1 222 1 21 LEU QD 1 29 PHE HA . . 4.540 3.463 3.238 3.873 . 0 0 "[ . 1 . 2]" 1 223 1 21 LEU QD 1 29 PHE HB2 . . 4.140 4.111 4.091 4.160 0.020 8 0 "[ . 1 . 2]" 1 224 1 21 LEU QD 1 29 PHE HB3 . . 3.680 2.617 2.561 2.730 . 0 0 "[ . 1 . 2]" 1 225 1 21 LEU QD 1 29 PHE QD . . 3.410 3.236 3.000 3.400 . 0 0 "[ . 1 . 2]" 1 226 1 21 LEU QD 1 57 PRO HA . . 4.370 3.767 3.581 4.008 . 0 0 "[ . 1 . 2]" 1 227 1 21 LEU QD 1 57 PRO HB2 . . 3.840 2.406 2.109 2.585 . 0 0 "[ . 1 . 2]" 1 228 1 21 LEU QD 1 57 PRO HB3 . . 3.970 3.817 3.621 3.944 . 0 0 "[ . 1 . 2]" 1 229 1 21 LEU QD 1 58 ALA H . . 4.370 3.299 3.056 3.689 . 0 0 "[ . 1 . 2]" 1 230 1 21 LEU QD 1 58 ALA HA . . 3.350 1.837 1.706 2.173 . 0 0 "[ . 1 . 2]" 1 231 1 21 LEU QD 1 61 CYS H . . 4.530 3.593 3.335 3.913 . 0 0 "[ . 1 . 2]" 1 232 1 21 LEU QD 1 61 CYS HB2 . . 3.570 3.193 2.356 4.286 0.716 19 3 "[ . 1 * - +2]" 1 233 1 21 LEU QD 1 99 VAL QG . . 3.300 2.477 1.817 2.781 . 0 0 "[ . 1 . 2]" 1 234 1 21 LEU HG 1 22 THR H . . 5.350 5.129 5.029 5.456 0.106 8 0 "[ . 1 . 2]" 1 235 1 21 LEU HG 1 99 VAL QG . . 3.730 3.349 3.125 3.829 0.099 8 0 "[ . 1 . 2]" 1 236 1 22 THR H 1 22 THR HB . . 3.060 2.649 2.587 2.714 . 0 0 "[ . 1 . 2]" 1 237 1 22 THR H 1 22 THR MG . . 3.890 3.756 3.595 3.809 . 0 0 "[ . 1 . 2]" 1 238 1 22 THR H 1 57 PRO HB3 . . 4.760 3.424 3.072 3.859 . 0 0 "[ . 1 . 2]" 1 239 1 22 THR HA 1 22 THR MG . . 3.190 2.266 2.148 2.342 . 0 0 "[ . 1 . 2]" 1 240 1 22 THR HA 1 23 ALA H . . 3.150 2.166 2.156 2.194 . 0 0 "[ . 1 . 2]" 1 241 1 22 THR HA 1 23 ALA MB . . 4.140 3.927 3.912 3.934 . 0 0 "[ . 1 . 2]" 1 242 1 22 THR HA 1 29 PHE QE . . 3.770 3.362 2.979 3.799 0.029 8 0 "[ . 1 . 2]" 1 243 1 22 THR HA 1 98 LYS HA . . 3.390 2.710 2.251 2.968 . 0 0 "[ . 1 . 2]" 1 244 1 22 THR HA 1 98 LYS QB . . 4.240 4.113 2.415 4.255 0.015 19 0 "[ . 1 . 2]" 1 245 1 22 THR HA 1 98 LYS QG . . 4.370 3.249 2.507 4.409 0.039 8 0 "[ . 1 . 2]" 1 246 1 22 THR HA 1 99 VAL H . . 4.530 4.280 4.040 4.471 . 0 0 "[ . 1 . 2]" 1 247 1 22 THR HB 1 23 ALA H . . 4.420 4.393 4.338 4.439 0.019 15 0 "[ . 1 . 2]" 1 248 1 22 THR HB 1 57 PRO HB3 . . 4.760 4.273 3.955 4.768 0.008 12 0 "[ . 1 . 2]" 1 249 1 22 THR MG 1 23 ALA H . . 3.280 3.308 3.281 3.351 0.071 8 0 "[ . 1 . 2]" 1 250 1 22 THR MG 1 23 ALA MB . . 4.370 3.982 3.898 4.046 . 0 0 "[ . 1 . 2]" 1 251 1 22 THR MG 1 97 SER HA . . 4.540 4.505 4.279 4.560 0.020 17 0 "[ . 1 . 2]" 1 252 1 22 THR MG 1 97 SER HB2 . . 4.370 4.200 3.938 4.401 0.031 8 0 "[ . 1 . 2]" 1 253 1 22 THR MG 1 97 SER HB3 . . 4.540 2.800 2.566 2.922 . 0 0 "[ . 1 . 2]" 1 254 1 22 THR MG 1 98 LYS HA . . 4.240 3.884 3.697 4.171 . 0 0 "[ . 1 . 2]" 1 255 1 22 THR MG 1 98 LYS QB . . 4.050 3.866 2.857 4.073 0.023 15 0 "[ . 1 . 2]" 1 256 1 22 THR MG 1 98 LYS QD . . 4.050 3.602 2.196 4.061 0.011 8 0 "[ . 1 . 2]" 1 257 1 22 THR MG 1 98 LYS QE . . 3.970 2.811 2.035 3.975 0.005 8 0 "[ . 1 . 2]" 1 258 1 23 ALA H 1 23 ALA MB . . 3.110 2.143 2.079 2.176 . 0 0 "[ . 1 . 2]" 1 259 1 23 ALA H 1 24 ASP H . . 5.090 4.301 4.260 4.442 . 0 0 "[ . 1 . 2]" 1 260 1 23 ALA H 1 29 PHE QD . . 4.850 3.763 3.503 3.937 . 0 0 "[ . 1 . 2]" 1 261 1 23 ALA H 1 29 PHE QE . . 3.590 2.205 1.966 2.401 . 0 0 "[ . 1 . 2]" 1 262 1 23 ALA H 1 29 PHE HZ . . 4.230 3.770 3.321 4.145 . 0 0 "[ . 1 . 2]" 1 263 1 23 ALA H 1 97 SER HA . . 4.420 3.202 2.833 3.652 . 0 0 "[ . 1 . 2]" 1 264 1 23 ALA H 1 97 SER HB3 . . 4.760 3.796 3.379 4.361 . 0 0 "[ . 1 . 2]" 1 265 1 23 ALA H 1 98 LYS HA . . 4.050 3.250 2.165 3.556 . 0 0 "[ . 1 . 2]" 1 266 1 23 ALA H 1 99 VAL H . . 5.240 4.734 4.172 5.079 . 0 0 "[ . 1 . 2]" 1 267 1 23 ALA HA 1 24 ASP H . . 3.210 2.235 2.189 2.247 . 0 0 "[ . 1 . 2]" 1 268 1 23 ALA HA 1 29 PHE HA . . 4.370 3.818 3.577 3.974 . 0 0 "[ . 1 . 2]" 1 269 1 23 ALA HA 1 29 PHE QD . . 4.030 3.206 2.764 3.460 . 0 0 "[ . 1 . 2]" 1 270 1 23 ALA HA 1 57 PRO HG2 . . 4.540 3.967 3.794 4.235 . 0 0 "[ . 1 . 2]" 1 271 1 23 ALA HA 1 57 PRO HG3 . . 4.050 3.842 3.644 4.028 . 0 0 "[ . 1 . 2]" 1 272 1 23 ALA MB 1 24 ASP H . . 3.530 3.569 3.402 3.598 0.068 17 0 "[ . 1 . 2]" 1 273 1 23 ALA MB 1 28 GLY H . . 4.370 4.458 4.401 4.617 0.247 18 0 "[ . 1 . 2]" 1 274 1 23 ALA MB 1 28 GLY HA2 . . 3.900 2.582 2.248 2.720 . 0 0 "[ . 1 . 2]" 1 275 1 23 ALA MB 1 28 GLY HA3 . . 4.240 2.929 2.775 3.122 . 0 0 "[ . 1 . 2]" 1 276 1 23 ALA MB 1 29 PHE H . . 4.960 4.391 4.045 4.649 . 0 0 "[ . 1 . 2]" 1 277 1 23 ALA MB 1 29 PHE QD . . 3.770 3.730 3.661 3.828 0.058 15 0 "[ . 1 . 2]" 1 278 1 23 ALA MB 1 29 PHE QE . . 3.590 2.568 2.348 2.819 . 0 0 "[ . 1 . 2]" 1 279 1 23 ALA MB 1 29 PHE HZ . . 3.890 2.556 2.247 3.046 . 0 0 "[ . 1 . 2]" 1 280 1 23 ALA MB 1 94 SER HA . . 4.140 2.359 2.157 2.583 . 0 0 "[ . 1 . 2]" 1 281 1 23 ALA MB 1 94 SER QB . . 3.840 3.345 2.780 3.798 . 0 0 "[ . 1 . 2]" 1 282 1 23 ALA MB 1 97 SER H . . 4.960 3.813 3.395 4.018 . 0 0 "[ . 1 . 2]" 1 283 1 23 ALA MB 1 97 SER HA . . 3.420 2.160 1.769 2.366 . 0 0 "[ . 1 . 2]" 1 284 1 23 ALA MB 1 97 SER HB2 . . 4.370 4.176 3.715 4.374 0.004 8 0 "[ . 1 . 2]" 1 285 1 23 ALA MB 1 97 SER HB3 . . 4.240 3.497 2.906 3.883 . 0 0 "[ . 1 . 2]" 1 286 1 24 ASP H 1 24 ASP HB2 . . 3.640 2.012 2.003 2.036 . 0 0 "[ . 1 . 2]" 1 287 1 24 ASP H 1 24 ASP HB3 . . 3.680 3.200 3.080 3.251 . 0 0 "[ . 1 . 2]" 1 288 1 24 ASP H 1 28 GLY H . . 4.530 3.957 2.749 4.181 . 0 0 "[ . 1 . 2]" 1 289 1 24 ASP H 1 28 GLY HA2 . . 4.530 2.102 1.963 2.181 . 0 0 "[ . 1 . 2]" 1 290 1 24 ASP H 1 28 GLY HA3 . . 4.600 3.612 3.475 3.663 . 0 0 "[ . 1 . 2]" 1 291 1 24 ASP H 1 29 PHE HA . . 5.240 4.126 3.936 4.288 . 0 0 "[ . 1 . 2]" 1 292 1 24 ASP H 1 57 PRO HD2 . . 5.240 4.336 4.027 4.518 . 0 0 "[ . 1 . 2]" 1 293 1 24 ASP H 1 57 PRO HG3 . . 3.900 2.530 2.350 2.798 . 0 0 "[ . 1 . 2]" 1 294 1 24 ASP HA 1 25 PRO HD2 . . 3.000 2.957 2.827 3.024 0.024 14 0 "[ . 1 . 2]" 1 295 1 24 ASP HA 1 25 PRO HD3 . . 3.060 2.181 2.091 2.231 . 0 0 "[ . 1 . 2]" 1 296 1 24 ASP HA 1 26 VAL H . . 5.090 4.012 3.875 4.123 . 0 0 "[ . 1 . 2]" 1 297 1 24 ASP HB2 1 25 PRO HD2 . . 4.760 3.704 3.603 3.893 . 0 0 "[ . 1 . 2]" 1 298 1 24 ASP HB2 1 25 PRO HD3 . . 4.370 4.254 4.189 4.370 . 0 0 "[ . 1 . 2]" 1 299 1 24 ASP HB2 1 27 THR H . . 4.540 3.219 3.074 3.690 . 0 0 "[ . 1 . 2]" 1 300 1 24 ASP HB2 1 28 GLY H . . 4.370 3.881 1.935 4.356 . 0 0 "[ . 1 . 2]" 1 301 1 24 ASP HB2 1 57 PRO HD2 . . 4.370 3.909 3.757 4.029 . 0 0 "[ . 1 . 2]" 1 302 1 24 ASP HB2 1 57 PRO HD3 . . 4.140 2.607 2.436 2.702 . 0 0 "[ . 1 . 2]" 1 303 1 24 ASP HB2 1 57 PRO HG2 . . 4.240 4.076 3.896 4.244 0.004 12 0 "[ . 1 . 2]" 1 304 1 24 ASP HB2 1 57 PRO HG3 . . 4.240 2.755 2.535 3.008 . 0 0 "[ . 1 . 2]" 1 305 1 24 ASP HB3 1 25 PRO HD2 . . 4.540 2.445 2.248 2.829 . 0 0 "[ . 1 . 2]" 1 306 1 24 ASP HB3 1 25 PRO HD3 . . 4.240 3.472 3.314 3.772 . 0 0 "[ . 1 . 2]" 1 307 1 24 ASP HB3 1 26 VAL H . . 4.760 1.924 1.876 1.979 . 0 0 "[ . 1 . 2]" 1 308 1 24 ASP HB3 1 26 VAL HB . . 4.540 3.997 3.118 4.833 0.293 9 0 "[ . 1 . 2]" 1 309 1 24 ASP HB3 1 27 THR H . . 4.240 2.115 1.937 2.663 . 0 0 "[ . 1 . 2]" 1 310 1 24 ASP HB3 1 27 THR MG . . 4.370 4.330 4.113 4.416 0.046 9 0 "[ . 1 . 2]" 1 311 1 24 ASP HB3 1 28 GLY H . . 3.890 3.836 2.575 4.000 0.110 17 0 "[ . 1 . 2]" 1 312 1 24 ASP HB3 1 28 GLY HA2 . . 4.540 3.847 3.769 3.955 . 0 0 "[ . 1 . 2]" 1 313 1 24 ASP HB3 1 57 PRO HD3 . . 4.050 4.066 4.014 4.118 0.068 15 0 "[ . 1 . 2]" 1 314 1 24 ASP HB3 1 57 PRO HG3 . . 4.540 4.452 4.265 4.613 0.073 18 0 "[ . 1 . 2]" 1 315 1 25 PRO HA 1 26 VAL QG . . 4.370 4.077 3.826 4.196 . 0 0 "[ . 1 . 2]" 1 316 1 25 PRO HB2 1 26 VAL H . . 4.320 3.916 3.761 4.173 . 0 0 "[ . 1 . 2]" 1 317 1 25 PRO HB2 1 26 VAL QG . . 3.730 2.965 2.915 3.173 . 0 0 "[ . 1 . 2]" 1 318 1 25 PRO HB3 1 26 VAL H . . 4.540 4.554 4.474 4.680 0.140 18 0 "[ . 1 . 2]" 1 319 1 25 PRO HB3 1 26 VAL QG . . 4.370 4.348 4.189 4.485 0.115 12 0 "[ . 1 . 2]" 1 320 1 25 PRO HD2 1 26 VAL H . . 4.240 2.593 2.411 2.972 . 0 0 "[ . 1 . 2]" 1 321 1 25 PRO HD3 1 26 VAL H . . 4.140 3.778 3.697 3.964 . 0 0 "[ . 1 . 2]" 1 322 1 25 PRO QG 1 26 VAL H . . 3.970 3.548 3.323 3.943 . 0 0 "[ . 1 . 2]" 1 323 1 25 PRO QG 1 26 VAL QG . . 3.730 3.154 2.921 3.351 . 0 0 "[ . 1 . 2]" 1 324 1 26 VAL H 1 26 VAL QG . . 3.300 2.654 1.881 3.065 . 0 0 "[ . 1 . 2]" 1 325 1 26 VAL H 1 27 THR H . . 3.260 2.226 2.125 2.740 . 0 0 "[ . 1 . 2]" 1 326 1 26 VAL H 1 27 THR HA . . 4.760 4.517 4.388 4.766 0.006 18 0 "[ . 1 . 2]" 1 327 1 26 VAL H 1 27 THR MG . . 4.540 4.430 4.211 4.554 0.014 9 0 "[ . 1 . 2]" 1 328 1 26 VAL H 1 28 GLY H . . 4.370 4.074 3.722 4.403 0.033 12 0 "[ . 1 . 2]" 1 329 1 26 VAL HA 1 26 VAL QG . . 2.970 2.178 2.126 2.236 . 0 0 "[ . 1 . 2]" 1 330 1 26 VAL HA 1 27 THR MG . . 4.540 4.446 4.022 4.634 0.094 18 0 "[ . 1 . 2]" 1 331 1 26 VAL HB 1 27 THR H . . 3.570 2.604 2.253 3.214 . 0 0 "[ . 1 . 2]" 1 332 1 26 VAL HB 1 27 THR MG . . 3.470 3.200 2.766 3.422 . 0 0 "[ . 1 . 2]" 1 333 1 26 VAL HB 1 28 GLY H . . 5.500 5.545 5.087 5.626 0.126 15 0 "[ . 1 . 2]" 1 334 1 26 VAL QG 1 27 THR H . . 3.970 2.449 1.720 2.955 . 0 0 "[ . 1 . 2]" 1 335 1 26 VAL QG 1 27 THR HA . . 3.900 3.481 3.202 3.894 . 0 0 "[ . 1 . 2]" 1 336 1 26 VAL QG 1 27 THR MG . . 3.030 2.130 1.886 2.611 . 0 0 "[ . 1 . 2]" 1 337 1 27 THR H 1 27 THR MG . . 3.390 2.666 2.117 2.861 . 0 0 "[ . 1 . 2]" 1 338 1 27 THR H 1 28 GLY H . . 3.620 3.599 2.941 3.705 0.085 20 0 "[ . 1 . 2]" 1 339 1 27 THR HA 1 27 THR MG . . 3.090 2.335 2.239 2.527 . 0 0 "[ . 1 . 2]" 1 340 1 27 THR HB 1 28 GLY H . . 4.370 4.250 2.567 4.427 0.057 13 0 "[ . 1 . 2]" 1 341 1 27 THR HB 1 56 SER HB2 . . 4.240 2.600 2.157 3.884 . 0 0 "[ . 1 . 2]" 1 342 1 27 THR HB 1 56 SER HB3 . . 4.140 3.314 2.775 4.184 0.044 18 0 "[ . 1 . 2]" 1 343 1 27 THR MG 1 28 GLY H . . 4.960 4.282 3.691 4.409 . 0 0 "[ . 1 . 2]" 1 344 1 27 THR MG 1 53 GLU QB . . 4.370 3.483 3.133 3.776 . 0 0 "[ . 1 . 2]" 1 345 1 27 THR MG 1 53 GLU QG . . 4.370 3.764 3.290 3.968 . 0 0 "[ . 1 . 2]" 1 346 1 27 THR MG 1 56 SER HA . . 4.540 3.837 3.512 4.060 . 0 0 "[ . 1 . 2]" 1 347 1 27 THR MG 1 56 SER HB3 . . 4.370 3.887 3.581 4.138 . 0 0 "[ . 1 . 2]" 1 348 1 28 GLY H 1 29 PHE H . . 4.760 3.744 3.621 3.816 . 0 0 "[ . 1 . 2]" 1 349 1 28 GLY HA2 1 29 PHE H . . 3.640 3.563 3.488 3.610 . 0 0 "[ . 1 . 2]" 1 350 1 28 GLY HA3 1 29 PHE H . . 3.410 2.346 2.257 2.441 . 0 0 "[ . 1 . 2]" 1 351 1 28 GLY HA3 1 30 GLY H . . 4.420 3.920 3.697 4.152 . 0 0 "[ . 1 . 2]" 1 352 1 29 PHE H 1 29 PHE HB2 . . 3.850 2.546 2.436 2.629 . 0 0 "[ . 1 . 2]" 1 353 1 29 PHE H 1 29 PHE HB3 . . 4.140 3.636 3.589 3.666 . 0 0 "[ . 1 . 2]" 1 354 1 29 PHE H 1 29 PHE QD . . 3.770 3.107 2.819 3.417 . 0 0 "[ . 1 . 2]" 1 355 1 29 PHE H 1 30 GLY H . . 3.570 1.926 1.880 2.022 . 0 0 "[ . 1 . 2]" 1 356 1 29 PHE H 1 30 GLY HA2 . . 4.600 4.160 4.116 4.253 . 0 0 "[ . 1 . 2]" 1 357 1 29 PHE H 1 31 ILE H . . 4.850 4.480 4.236 4.641 . 0 0 "[ . 1 . 2]" 1 358 1 29 PHE HA 1 29 PHE QD . . 3.310 2.457 2.008 2.712 . 0 0 "[ . 1 . 2]" 1 359 1 29 PHE HA 1 57 PRO HD2 . . 4.240 2.726 2.552 2.976 . 0 0 "[ . 1 . 2]" 1 360 1 29 PHE HA 1 57 PRO HD3 . . 4.540 3.964 3.819 4.217 . 0 0 "[ . 1 . 2]" 1 361 1 29 PHE HA 1 57 PRO HG3 . . 4.370 3.479 3.267 3.685 . 0 0 "[ . 1 . 2]" 1 362 1 29 PHE HB2 1 30 GLY H . . 4.530 2.891 2.555 3.048 . 0 0 "[ . 1 . 2]" 1 363 1 29 PHE HB2 1 31 ILE H . . 4.420 3.383 3.043 3.695 . 0 0 "[ . 1 . 2]" 1 364 1 29 PHE HB2 1 31 ILE MD . . 4.760 3.179 2.808 3.684 . 0 0 "[ . 1 . 2]" 1 365 1 29 PHE HB2 1 31 ILE HG13 . . 3.970 2.692 2.405 3.050 . 0 0 "[ . 1 . 2]" 1 366 1 29 PHE HB3 1 30 GLY H . . 4.760 4.056 3.810 4.188 . 0 0 "[ . 1 . 2]" 1 367 1 29 PHE HB3 1 31 ILE H . . 4.760 4.488 4.147 4.743 . 0 0 "[ . 1 . 2]" 1 368 1 29 PHE HB3 1 31 ILE MD . . 4.370 2.207 1.996 2.766 . 0 0 "[ . 1 . 2]" 1 369 1 29 PHE QD 1 90 LEU HA . . 3.890 3.739 3.317 3.906 0.016 2 0 "[ . 1 . 2]" 1 370 1 29 PHE QD 1 90 LEU QD . . 3.890 2.462 1.906 3.039 . 0 0 "[ . 1 . 2]" 1 371 1 29 PHE QD 1 99 VAL QG . . 4.030 2.475 2.018 2.934 . 0 0 "[ . 1 . 2]" 1 372 1 29 PHE QE 1 90 LEU HA . . 3.890 3.040 2.284 3.701 . 0 0 "[ . 1 . 2]" 1 373 1 29 PHE QE 1 93 SER QB . . 3.900 2.471 2.051 2.996 . 0 0 "[ . 1 . 2]" 1 374 1 29 PHE QE 1 94 SER H . . 4.600 2.801 2.157 3.377 . 0 0 "[ . 1 . 2]" 1 375 1 29 PHE QE 1 94 SER HA . . 3.890 3.268 2.763 3.702 . 0 0 "[ . 1 . 2]" 1 376 1 29 PHE QE 1 94 SER QB . . 3.590 3.304 2.723 3.609 0.019 17 0 "[ . 1 . 2]" 1 377 1 29 PHE QE 1 98 LYS HA . . 3.520 2.970 2.152 3.515 . 0 0 "[ . 1 . 2]" 1 378 1 29 PHE QE 1 99 VAL H . . 3.890 3.378 2.783 3.863 . 0 0 "[ . 1 . 2]" 1 379 1 29 PHE QE 1 99 VAL HB . . 3.770 3.120 2.836 3.450 . 0 0 "[ . 1 . 2]" 1 380 1 29 PHE QE 1 99 VAL QG . . 3.890 2.565 2.234 2.803 . 0 0 "[ . 1 . 2]" 1 381 1 29 PHE HZ 1 93 SER QB . . 3.770 2.324 1.979 2.949 . 0 0 "[ . 1 . 2]" 1 382 1 29 PHE HZ 1 94 SER HA . . 3.590 2.450 1.989 2.849 . 0 0 "[ . 1 . 2]" 1 383 1 29 PHE HZ 1 98 LYS H . . 4.960 3.562 3.005 3.924 . 0 0 "[ . 1 . 2]" 1 384 1 29 PHE HZ 1 98 LYS HA . . 4.540 4.259 3.707 4.538 . 0 0 "[ . 1 . 2]" 1 385 1 29 PHE HZ 1 99 VAL H . . 5.240 4.618 4.137 5.179 . 0 0 "[ . 1 . 2]" 1 386 1 29 PHE HZ 1 99 VAL HB . . 3.590 3.017 2.405 3.426 . 0 0 "[ . 1 . 2]" 1 387 1 29 PHE HZ 1 99 VAL QG . . 3.890 3.461 2.755 3.721 . 0 0 "[ . 1 . 2]" 1 388 1 30 GLY H 1 31 ILE H . . 3.540 3.095 2.816 3.283 . 0 0 "[ . 1 . 2]" 1 389 1 30 GLY H 1 53 GLU QB . . 4.850 4.141 3.825 4.476 . 0 0 "[ . 1 . 2]" 1 390 1 30 GLY HA2 1 53 GLU H . . 4.600 3.840 3.350 4.242 . 0 0 "[ . 1 . 2]" 1 391 1 30 GLY HA2 1 53 GLU QB . . 3.230 2.420 1.958 3.072 . 0 0 "[ . 1 . 2]" 1 392 1 30 GLY HA3 1 53 GLU H . . 4.530 3.398 3.154 3.704 . 0 0 "[ . 1 . 2]" 1 393 1 30 GLY HA3 1 53 GLU QB . . 3.780 1.956 1.860 2.153 . 0 0 "[ . 1 . 2]" 1 394 1 30 GLY HA3 1 56 SER HB2 . . 3.970 2.559 2.142 3.190 . 0 0 "[ . 1 . 2]" 1 395 1 30 GLY HA3 1 56 SER HB3 . . 4.240 3.035 2.451 3.633 . 0 0 "[ . 1 . 2]" 1 396 1 31 ILE H 1 31 ILE HB . . 3.500 2.822 2.710 3.037 . 0 0 "[ . 1 . 2]" 1 397 1 31 ILE H 1 31 ILE MD . . 4.370 4.111 3.893 4.337 . 0 0 "[ . 1 . 2]" 1 398 1 31 ILE H 1 31 ILE HG12 . . 4.050 3.793 3.618 3.963 . 0 0 "[ . 1 . 2]" 1 399 1 31 ILE H 1 31 ILE HG13 . . 4.040 2.769 2.574 2.969 . 0 0 "[ . 1 . 2]" 1 400 1 31 ILE H 1 31 ILE MG . . 3.980 3.918 3.875 3.993 0.013 12 0 "[ . 1 . 2]" 1 401 1 31 ILE H 1 32 GLN H . . 4.960 4.391 4.263 4.460 . 0 0 "[ . 1 . 2]" 1 402 1 31 ILE H 1 58 ALA MB . . 4.540 4.486 4.311 4.579 0.039 19 0 "[ . 1 . 2]" 1 403 1 31 ILE HA 1 31 ILE MD . . 4.760 3.841 3.649 3.925 . 0 0 "[ . 1 . 2]" 1 404 1 31 ILE HA 1 31 ILE MG . . 3.600 2.353 2.262 2.419 . 0 0 "[ . 1 . 2]" 1 405 1 31 ILE HA 1 32 GLN H . . 3.170 2.282 2.226 2.323 . 0 0 "[ . 1 . 2]" 1 406 1 31 ILE HA 1 51 TYR H . . 5.090 4.813 4.656 4.951 . 0 0 "[ . 1 . 2]" 1 407 1 31 ILE HA 1 52 ILE HA . . 4.540 2.630 2.452 2.797 . 0 0 "[ . 1 . 2]" 1 408 1 31 ILE HA 1 53 GLU H . . 4.960 3.220 2.919 3.581 . 0 0 "[ . 1 . 2]" 1 409 1 31 ILE HA 1 58 ALA MB . . 4.760 3.726 3.560 3.827 . 0 0 "[ . 1 . 2]" 1 410 1 31 ILE HB 1 31 ILE MD . . 3.350 2.358 2.215 2.550 . 0 0 "[ . 1 . 2]" 1 411 1 31 ILE HB 1 32 GLN H . . 3.970 3.913 3.773 3.990 0.020 2 0 "[ . 1 . 2]" 1 412 1 31 ILE HB 1 58 ALA MB . . 4.540 4.212 4.029 4.435 . 0 0 "[ . 1 . 2]" 1 413 1 31 ILE MD 1 31 ILE MG . . 2.720 2.023 1.845 2.220 . 0 0 "[ . 1 . 2]" 1 414 1 31 ILE MD 1 58 ALA MB . . 3.530 2.051 1.707 2.310 . 0 0 "[ . 1 . 2]" 1 415 1 31 ILE HG12 1 32 GLN H . . 5.090 4.567 4.451 4.811 . 0 0 "[ . 1 . 2]" 1 416 1 31 ILE HG12 1 52 ILE MG . . 4.760 3.204 2.945 3.372 . 0 0 "[ . 1 . 2]" 1 417 1 31 ILE HG12 1 58 ALA MB . . 2.850 1.920 1.867 1.991 . 0 0 "[ . 1 . 2]" 1 418 1 31 ILE HG13 1 52 ILE MG . . 4.540 4.526 4.281 4.557 0.017 19 0 "[ . 1 . 2]" 1 419 1 31 ILE HG13 1 58 ALA MB . . 3.320 2.517 2.289 2.848 . 0 0 "[ . 1 . 2]" 1 420 1 31 ILE MG 1 32 GLN H . . 3.730 2.088 1.943 2.456 . 0 0 "[ . 1 . 2]" 1 421 1 31 ILE MG 1 33 LEU H . . 4.760 4.696 4.468 4.796 0.036 12 0 "[ . 1 . 2]" 1 422 1 31 ILE MG 1 52 ILE HA . . 4.540 3.775 3.527 4.003 . 0 0 "[ . 1 . 2]" 1 423 1 31 ILE MG 1 52 ILE HG12 . . 3.640 3.050 2.708 3.423 . 0 0 "[ . 1 . 2]" 1 424 1 31 ILE MG 1 52 ILE HG13 . . 4.540 3.908 3.527 4.273 . 0 0 "[ . 1 . 2]" 1 425 1 31 ILE MG 1 52 ILE MG . . 4.090 3.806 3.572 4.043 . 0 0 "[ . 1 . 2]" 1 426 1 31 ILE MG 1 58 ALA MB . . 3.250 3.257 3.141 3.292 0.042 12 0 "[ . 1 . 2]" 1 427 1 32 GLN H 1 32 GLN HB2 . . 4.010 2.494 2.414 2.597 . 0 0 "[ . 1 . 2]" 1 428 1 32 GLN H 1 32 GLN QG . . 4.540 3.594 3.396 4.072 . 0 0 "[ . 1 . 2]" 1 429 1 32 GLN H 1 33 LEU H . . 5.090 4.416 4.328 4.479 . 0 0 "[ . 1 . 2]" 1 430 1 32 GLN H 1 50 SER H . . 5.090 4.123 3.788 4.547 . 0 0 "[ . 1 . 2]" 1 431 1 32 GLN H 1 51 TYR H . . 3.890 2.839 2.712 2.942 . 0 0 "[ . 1 . 2]" 1 432 1 32 GLN H 1 51 TYR HB3 . . 4.540 4.093 3.790 4.251 . 0 0 "[ . 1 . 2]" 1 433 1 32 GLN H 1 52 ILE HA . . 4.850 3.554 3.316 3.775 . 0 0 "[ . 1 . 2]" 1 434 1 32 GLN HA 1 33 LEU H . . 3.320 2.280 2.222 2.334 . 0 0 "[ . 1 . 2]" 1 435 1 32 GLN HB2 1 32 GLN HE22 . . 5.440 5.047 3.717 5.383 . 0 0 "[ . 1 . 2]" 1 436 1 32 GLN HB2 1 33 LEU H . . 4.540 4.345 4.239 4.471 . 0 0 "[ . 1 . 2]" 1 437 1 32 GLN HB2 1 51 TYR H . . 4.200 2.076 1.927 2.532 . 0 0 "[ . 1 . 2]" 1 438 1 32 GLN HB2 1 51 TYR HB2 . . 3.440 3.478 3.422 3.575 0.135 16 0 "[ . 1 . 2]" 1 439 1 32 GLN HB2 1 51 TYR HB3 . . 3.840 1.976 1.939 2.012 . 0 0 "[ . 1 . 2]" 1 440 1 32 GLN HB2 1 51 TYR QD . . 3.460 3.274 2.815 3.474 0.014 9 0 "[ . 1 . 2]" 1 441 1 32 GLN HB3 1 33 LEU H . . 4.050 3.209 3.018 3.454 . 0 0 "[ . 1 . 2]" 1 442 1 32 GLN HB3 1 51 TYR H . . 4.370 2.623 2.197 3.106 . 0 0 "[ . 1 . 2]" 1 443 1 32 GLN HB3 1 51 TYR HB2 . . 4.050 4.030 3.891 4.091 0.041 19 0 "[ . 1 . 2]" 1 444 1 32 GLN HB3 1 51 TYR HB3 . . 4.240 2.987 2.662 3.153 . 0 0 "[ . 1 . 2]" 1 445 1 32 GLN QG 1 33 LEU H . . 4.540 3.859 3.395 4.328 . 0 0 "[ . 1 . 2]" 1 446 1 32 GLN QG 1 51 TYR H . . 4.760 3.986 3.742 4.394 . 0 0 "[ . 1 . 2]" 1 447 1 32 GLN QG 1 51 TYR QD . . 3.270 2.978 2.195 3.295 0.025 19 0 "[ . 1 . 2]" 1 448 1 33 LEU H 1 33 LEU QB . . 3.910 2.525 2.346 2.711 . 0 0 "[ . 1 . 2]" 1 449 1 33 LEU H 1 33 LEU QD . . 4.280 2.763 1.927 3.531 . 0 0 "[ . 1 . 2]" 1 450 1 33 LEU H 1 33 LEU HG . . 3.960 3.208 2.446 3.994 0.034 19 0 "[ . 1 . 2]" 1 451 1 33 LEU H 1 87 ASN HD22 . . 5.240 4.478 3.654 5.088 . 0 0 "[ . 1 . 2]" 1 452 1 33 LEU HA 1 33 LEU QD . . 3.190 2.234 1.965 2.587 . 0 0 "[ . 1 . 2]" 1 453 1 33 LEU HA 1 33 LEU HG . . 4.240 3.295 2.751 3.794 . 0 0 "[ . 1 . 2]" 1 454 1 33 LEU HA 1 34 GLN H . . 3.320 2.429 2.371 2.504 . 0 0 "[ . 1 . 2]" 1 455 1 33 LEU HA 1 49 ILE HA . . 3.900 2.849 2.503 3.126 . 0 0 "[ . 1 . 2]" 1 456 1 33 LEU HA 1 50 SER H . . 3.780 2.275 2.004 2.646 . 0 0 "[ . 1 . 2]" 1 457 1 33 LEU HA 1 51 TYR H . . 4.760 4.562 4.399 4.756 . 0 0 "[ . 1 . 2]" 1 458 1 33 LEU QB 1 34 GLN H . . 4.160 2.543 2.378 2.653 . 0 0 "[ . 1 . 2]" 1 459 1 33 LEU QB 1 47 PRO HB2 . . 4.370 2.592 2.023 3.437 . 0 0 "[ . 1 . 2]" 1 460 1 33 LEU QB 1 83 PHE QD . . 4.030 3.194 2.269 3.900 . 0 0 "[ . 1 . 2]" 1 461 1 33 LEU QB 1 83 PHE QE . . 4.370 2.675 1.983 3.122 . 0 0 "[ . 1 . 2]" 1 462 1 33 LEU QB 1 86 ALA MB . . 4.540 3.414 2.958 3.776 . 0 0 "[ . 1 . 2]" 1 463 1 33 LEU QB 1 87 ASN HD21 . . 5.440 4.078 3.279 5.271 . 0 0 "[ . 1 . 2]" 1 464 1 33 LEU QD 1 34 GLN H . . 4.050 3.410 2.944 3.808 . 0 0 "[ . 1 . 2]" 1 465 1 33 LEU QD 1 47 PRO HB2 . . 3.300 2.188 1.886 2.624 . 0 0 "[ . 1 . 2]" 1 466 1 33 LEU QD 1 47 PRO HB3 . . 3.970 3.300 2.916 3.864 . 0 0 "[ . 1 . 2]" 1 467 1 33 LEU QD 1 47 PRO HG2 . . 4.140 3.205 2.373 3.914 . 0 0 "[ . 1 . 2]" 1 468 1 33 LEU QD 1 49 ILE H . . 4.540 4.092 3.321 4.517 . 0 0 "[ . 1 . 2]" 1 469 1 33 LEU QD 1 49 ILE HA . . 3.370 2.815 2.411 3.007 . 0 0 "[ . 1 . 2]" 1 470 1 33 LEU QD 1 49 ILE HG12 . . 3.900 3.078 2.703 3.307 . 0 0 "[ . 1 . 2]" 1 471 1 33 LEU QD 1 50 SER H . . 3.970 3.626 3.353 3.870 . 0 0 "[ . 1 . 2]" 1 472 1 33 LEU QD 1 86 ALA MB . . 3.090 2.198 1.710 2.831 . 0 0 "[ . 1 . 2]" 1 473 1 33 LEU QD 1 87 ASN H . . 4.670 3.336 2.796 3.946 . 0 0 "[ . 1 . 2]" 1 474 1 33 LEU QD 1 87 ASN HA . . 3.640 2.700 2.133 3.173 . 0 0 "[ . 1 . 2]" 1 475 1 33 LEU QD 1 87 ASN HB2 . . 3.900 3.557 3.124 4.523 0.623 19 1 "[ . 1 . +2]" 1 476 1 33 LEU QD 1 87 ASN HB3 . . 5.100 4.588 3.807 4.999 . 0 0 "[ . 1 . 2]" 1 477 1 34 GLN H 1 34 GLN QB . . 3.780 2.873 2.282 3.233 . 0 0 "[ . 1 . 2]" 1 478 1 34 GLN H 1 34 GLN HG2 . . 4.760 2.886 2.170 4.040 . 0 0 "[ . 1 . 2]" 1 479 1 34 GLN H 1 34 GLN HG3 . . 4.530 2.285 1.952 4.538 0.008 2 0 "[ . 1 . 2]" 1 480 1 34 GLN H 1 48 LEU H . . 4.320 3.272 2.462 4.009 . 0 0 "[ . 1 . 2]" 1 481 1 34 GLN H 1 48 LEU HB2 . . 4.760 4.477 4.117 4.774 0.014 3 0 "[ . 1 . 2]" 1 482 1 34 GLN H 1 49 ILE HA . . 4.540 4.488 4.250 4.579 0.039 15 0 "[ . 1 . 2]" 1 483 1 34 GLN H 1 50 SER H . . 4.960 3.562 3.261 3.887 . 0 0 "[ . 1 . 2]" 1 484 1 34 GLN H 1 50 SER HB2 . . 4.540 3.588 2.987 4.313 . 0 0 "[ . 1 . 2]" 1 485 1 34 GLN H 1 50 SER HB3 . . 4.540 4.370 3.768 4.565 0.025 17 0 "[ . 1 . 2]" 1 486 1 34 GLN HA 1 34 GLN HG2 . . 4.240 3.945 2.204 4.219 . 0 0 "[ . 1 . 2]" 1 487 1 34 GLN HA 1 83 PHE QD . . 4.230 4.166 3.885 4.272 0.042 15 0 "[ . 1 . 2]" 1 488 1 34 GLN HA 1 83 PHE QE . . 4.370 3.052 2.158 4.000 . 0 0 "[ . 1 . 2]" 1 489 1 34 GLN QB 1 35 GLY H . . 4.140 2.798 2.295 3.358 . 0 0 "[ . 1 . 2]" 1 490 1 34 GLN QB 1 48 LEU HB2 . . 4.370 3.987 2.888 4.385 0.015 10 0 "[ . 1 . 2]" 1 491 1 34 GLN QB 1 50 SER HB2 . . 3.420 2.151 1.971 3.123 . 0 0 "[ . 1 . 2]" 1 492 1 34 GLN HE21 1 48 LEU QD . . 5.240 3.187 2.530 4.268 . 0 0 "[ . 1 . 2]" 1 493 1 34 GLN HE22 1 48 LEU QD . . 5.240 3.010 2.178 5.018 . 0 0 "[ . 1 . 2]" 1 494 1 34 GLN HG2 1 50 SER HB2 . . 4.760 3.700 2.002 4.153 . 0 0 "[ . 1 . 2]" 1 495 1 34 GLN HG3 1 48 LEU HB2 . . 4.760 3.302 2.646 3.997 . 0 0 "[ . 1 . 2]" 1 496 1 34 GLN HG3 1 48 LEU QD . . 4.140 3.674 2.715 4.086 . 0 0 "[ . 1 . 2]" 1 497 1 34 GLN HG3 1 50 SER HB2 . . 4.140 4.424 3.402 4.765 0.625 9 4 "[ - *+1 . * 2]" 1 498 1 35 GLY H 1 36 SER H . . 4.960 4.122 3.427 4.482 . 0 0 "[ . 1 . 2]" 1 499 1 35 GLY HA2 1 36 SER H . . 3.450 2.988 2.511 3.463 0.013 11 0 "[ . 1 . 2]" 1 500 1 35 GLY HA2 1 83 PHE QD . . 4.370 3.538 2.370 4.586 0.216 9 0 "[ . 1 . 2]" 1 501 1 35 GLY HA3 1 36 SER H . . 3.640 2.350 2.205 2.735 . 0 0 "[ . 1 . 2]" 1 502 1 35 GLY HA3 1 83 PHE QD . . 4.760 3.152 1.998 4.639 . 0 0 "[ . 1 . 2]" 1 503 1 36 SER H 1 36 SER HB2 . . 3.760 3.083 2.373 3.755 . 0 0 "[ . 1 . 2]" 1 504 1 36 SER H 1 36 SER HB3 . . 3.530 3.377 2.604 3.765 0.235 9 0 "[ . 1 . 2]" 1 505 1 36 SER H 1 37 VAL H . . 4.370 4.384 4.290 4.531 0.161 11 0 "[ . 1 . 2]" 1 506 1 36 SER HA 1 37 VAL H . . 3.140 2.512 2.217 2.744 . 0 0 "[ . 1 . 2]" 1 507 1 36 SER HA 1 37 VAL QG . . 4.370 3.387 3.079 3.851 . 0 0 "[ . 1 . 2]" 1 508 1 36 SER HA 1 38 PHE H . . 4.670 4.435 3.822 4.702 0.032 7 0 "[ . 1 . 2]" 1 509 1 36 SER HB2 1 37 VAL H . . 4.200 3.771 2.646 4.189 . 0 0 "[ . 1 . 2]" 1 510 1 36 SER HB2 1 38 PHE H . . 5.090 4.300 3.066 4.982 . 0 0 "[ . 1 . 2]" 1 511 1 36 SER HB2 1 39 ALA MB . . 4.240 3.890 2.962 4.761 0.521 6 1 "[ .+ 1 . 2]" 1 512 1 36 SER HB3 1 37 VAL H . . 3.970 3.057 2.128 4.166 0.196 10 0 "[ . 1 . 2]" 1 513 1 36 SER HB3 1 38 PHE H . . 5.090 3.360 2.277 4.880 . 0 0 "[ . 1 . 2]" 1 514 1 36 SER HB3 1 39 ALA MB . . 4.760 3.621 1.963 4.353 . 0 0 "[ . 1 . 2]" 1 515 1 37 VAL H 1 37 VAL HB . . 3.830 3.198 2.299 3.729 . 0 0 "[ . 1 . 2]" 1 516 1 37 VAL H 1 37 VAL QG . . 3.600 1.965 1.823 2.389 . 0 0 "[ . 1 . 2]" 1 517 1 37 VAL HA 1 37 VAL QG . . 3.210 2.270 2.097 2.486 . 0 0 "[ . 1 . 2]" 1 518 1 37 VAL HA 1 38 PHE H . . 3.630 3.596 3.495 3.640 0.010 11 0 "[ . 1 . 2]" 1 519 1 37 VAL HB 1 38 PHE H . . 4.070 3.589 2.308 4.092 0.022 1 0 "[ . 1 . 2]" 1 520 1 37 VAL QG 1 38 PHE H . . 3.260 2.228 1.789 3.072 . 0 0 "[ . 1 . 2]" 1 521 1 37 VAL QG 1 38 PHE QD . . 3.890 2.494 1.902 3.636 . 0 0 "[ . 1 . 2]" 1 522 1 37 VAL QG 1 38 PHE QE . . 4.230 3.459 2.773 4.078 . 0 0 "[ . 1 . 2]" 1 523 1 38 PHE H 1 38 PHE HB2 . . 3.780 2.507 1.999 3.695 . 0 0 "[ . 1 . 2]" 1 524 1 38 PHE H 1 38 PHE HB3 . . 3.440 3.340 2.684 3.678 0.238 7 0 "[ . 1 . 2]" 1 525 1 38 PHE H 1 38 PHE QD . . 4.670 3.130 2.173 4.019 . 0 0 "[ . 1 . 2]" 1 526 1 38 PHE HA 1 38 PHE QD . . 3.590 2.838 2.079 3.699 0.109 20 0 "[ . 1 . 2]" 1 527 1 38 PHE HA 1 39 ALA H . . 3.360 2.578 2.214 3.627 0.267 4 0 "[ . 1 . 2]" 1 528 1 38 PHE HB2 1 39 ALA H . . 4.370 3.838 2.131 4.506 0.136 8 0 "[ . 1 . 2]" 1 529 1 38 PHE HB3 1 39 ALA H . . 4.850 3.527 2.572 4.681 . 0 0 "[ . 1 . 2]" 1 530 1 39 ALA H 1 39 ALA MB . . 3.260 2.810 1.937 2.956 . 0 0 "[ . 1 . 2]" 1 531 1 39 ALA HA 1 40 THR H . . 3.440 2.658 2.205 2.928 . 0 0 "[ . 1 . 2]" 1 532 1 39 ALA MB 1 40 THR H . . 3.850 2.401 1.915 3.672 . 0 0 "[ . 1 . 2]" 1 533 1 39 ALA MB 1 41 GLU H . . 4.960 3.943 2.813 4.761 . 0 0 "[ . 1 . 2]" 1 534 1 40 THR H 1 40 THR HB . . 3.040 2.377 2.239 2.543 . 0 0 "[ . 1 . 2]" 1 535 1 40 THR H 1 40 THR MG . . 3.730 3.707 3.673 3.803 0.073 20 0 "[ . 1 . 2]" 1 536 1 40 THR H 1 41 GLU H . . 3.850 2.761 2.071 3.425 . 0 0 "[ . 1 . 2]" 1 537 1 40 THR HA 1 40 THR MG . . 3.470 2.518 2.402 2.622 . 0 0 "[ . 1 . 2]" 1 538 1 40 THR HB 1 41 GLU H . . 3.230 2.261 2.046 2.780 . 0 0 "[ . 1 . 2]" 1 539 1 40 THR HB 1 42 THR H . . 4.370 3.930 3.560 4.358 . 0 0 "[ . 1 . 2]" 1 540 1 40 THR MG 1 41 GLU H . . 4.760 2.633 2.205 3.448 . 0 0 "[ . 1 . 2]" 1 541 1 41 GLU H 1 41 GLU HB2 . . 4.050 2.870 2.289 3.870 . 0 0 "[ . 1 . 2]" 1 542 1 41 GLU H 1 41 GLU HB3 . . 3.730 3.034 2.440 3.769 0.039 11 0 "[ . 1 . 2]" 1 543 1 41 GLU H 1 41 GLU QG . . 4.200 3.563 1.922 4.151 . 0 0 "[ . 1 . 2]" 1 544 1 41 GLU H 1 42 THR H . . 3.850 2.163 1.894 2.544 . 0 0 "[ . 1 . 2]" 1 545 1 41 GLU HA 1 41 GLU QG . . 3.680 2.425 1.989 3.400 . 0 0 "[ . 1 . 2]" 1 546 1 41 GLU HA 1 42 THR H . . 3.530 3.579 2.997 3.645 0.115 15 0 "[ . 1 . 2]" 1 547 1 41 GLU HB2 1 42 THR H . . 4.240 3.532 2.712 4.292 0.052 8 0 "[ . 1 . 2]" 1 548 1 41 GLU HB3 1 42 THR H . . 4.240 3.000 2.024 4.300 0.060 8 0 "[ . 1 . 2]" 1 549 1 41 GLU HB3 1 42 THR MG . . 4.370 3.010 2.234 4.435 0.065 20 0 "[ . 1 . 2]" 1 550 1 41 GLU QG 1 42 THR H . . 4.760 3.651 1.892 4.629 . 0 0 "[ . 1 . 2]" 1 551 1 41 GLU QG 1 42 THR MG . . 4.540 3.433 1.892 4.545 0.005 8 0 "[ . 1 . 2]" 1 552 1 42 THR H 1 42 THR HB . . 3.970 3.517 2.980 3.847 . 0 0 "[ . 1 . 2]" 1 553 1 42 THR H 1 42 THR MG . . 3.900 2.475 1.985 3.441 . 0 0 "[ . 1 . 2]" 1 554 1 42 THR H 1 43 LEU H . . 3.810 3.873 3.723 3.948 0.138 8 0 "[ . 1 . 2]" 1 555 1 42 THR HA 1 42 THR MG . . 3.230 2.785 2.208 3.239 0.009 14 0 "[ . 1 . 2]" 1 556 1 42 THR HA 1 43 LEU H . . 3.160 3.150 2.149 3.292 0.132 14 0 "[ . 1 . 2]" 1 557 1 42 THR HB 1 43 LEU H . . 3.680 2.621 1.856 3.711 0.031 8 0 "[ . 1 . 2]" 1 558 1 42 THR HB 1 44 SER H . . 4.850 3.873 2.534 4.578 . 0 0 "[ . 1 . 2]" 1 559 1 42 THR MG 1 43 LEU H . . 3.900 2.926 1.872 3.936 0.036 8 0 "[ . 1 . 2]" 1 560 1 42 THR MG 1 44 SER H . . 4.540 3.191 1.707 4.539 . 0 0 "[ . 1 . 2]" 1 561 1 43 LEU H 1 43 LEU HB2 . . 3.590 2.935 2.642 3.349 . 0 0 "[ . 1 . 2]" 1 562 1 43 LEU H 1 43 LEU HB3 . . 3.490 2.986 2.280 3.643 0.153 5 0 "[ . 1 . 2]" 1 563 1 43 LEU H 1 43 LEU QD . . 4.280 3.452 2.724 3.918 . 0 0 "[ . 1 . 2]" 1 564 1 43 LEU H 1 44 SER H . . 4.280 2.366 1.850 2.797 . 0 0 "[ . 1 . 2]" 1 565 1 43 LEU HA 1 43 LEU QD . . 3.250 2.087 1.960 2.285 . 0 0 "[ . 1 . 2]" 1 566 1 43 LEU HA 1 43 LEU HG . . 3.840 3.315 2.886 3.437 . 0 0 "[ . 1 . 2]" 1 567 1 43 LEU HA 1 44 SER H . . 3.130 3.182 2.845 3.299 0.169 12 0 "[ . 1 . 2]" 1 568 1 43 LEU HA 1 45 SER H . . 4.760 4.338 4.161 4.507 . 0 0 "[ . 1 . 2]" 1 569 1 43 LEU HB2 1 44 SER H . . 4.540 4.290 3.834 4.650 0.110 11 0 "[ . 1 . 2]" 1 570 1 43 LEU HB3 1 44 SER H . . 4.160 4.203 3.706 4.644 0.484 9 0 "[ . 1 . 2]" 1 571 1 43 LEU HB3 1 45 SER H . . 4.530 3.720 3.086 4.509 . 0 0 "[ . 1 . 2]" 1 572 1 43 LEU QD 1 44 SER H . . 4.600 4.261 4.142 4.400 . 0 0 "[ . 1 . 2]" 1 573 1 43 LEU QD 1 45 SER H . . 4.850 4.022 3.619 4.431 . 0 0 "[ . 1 . 2]" 1 574 1 43 LEU QD 1 47 PRO HD3 . . 4.050 3.723 3.234 4.020 . 0 0 "[ . 1 . 2]" 1 575 1 43 LEU QD 1 47 PRO HG3 . . 4.370 3.820 3.129 4.153 . 0 0 "[ . 1 . 2]" 1 576 1 43 LEU QD 1 83 PHE HA . . 3.600 3.035 2.035 3.571 . 0 0 "[ . 1 . 2]" 1 577 1 43 LEU QD 1 83 PHE HB2 . . 4.050 2.462 2.142 2.785 . 0 0 "[ . 1 . 2]" 1 578 1 43 LEU QD 1 83 PHE HB3 . . 4.370 3.549 2.553 3.932 . 0 0 "[ . 1 . 2]" 1 579 1 43 LEU QD 1 83 PHE QD . . 3.890 3.106 2.603 3.645 . 0 0 "[ . 1 . 2]" 1 580 1 43 LEU HG 1 44 SER H . . 4.540 4.550 4.405 4.682 0.142 11 0 "[ . 1 . 2]" 1 581 1 44 SER H 1 44 SER QB . . 3.300 2.823 2.342 3.120 . 0 0 "[ . 1 . 2]" 1 582 1 44 SER H 1 45 SER H . . 3.830 2.971 2.769 3.842 0.012 11 0 "[ . 1 . 2]" 1 583 1 44 SER HA 1 45 SER H . . 3.110 2.912 2.509 3.044 . 0 0 "[ . 1 . 2]" 1 584 1 45 SER H 1 45 SER QB . . 3.410 3.158 3.016 3.519 0.109 17 0 "[ . 1 . 2]" 1 585 1 45 SER HA 1 46 PRO HD2 . . 3.080 2.870 2.664 3.096 0.016 11 0 "[ . 1 . 2]" 1 586 1 45 SER HA 1 46 PRO HD3 . . 3.230 2.110 1.989 2.280 . 0 0 "[ . 1 . 2]" 1 587 1 45 SER HA 1 46 PRO HG3 . . 4.540 4.364 4.260 4.509 . 0 0 "[ . 1 . 2]" 1 588 1 45 SER QB 1 46 PRO HG2 . . 4.760 4.312 4.020 4.611 . 0 0 "[ . 1 . 2]" 1 589 1 46 PRO HA 1 47 PRO HD2 . . 3.500 2.603 2.519 2.775 . 0 0 "[ . 1 . 2]" 1 590 1 46 PRO HA 1 47 PRO HD3 . . 3.370 1.973 1.946 2.057 . 0 0 "[ . 1 . 2]" 1 591 1 46 PRO HA 1 47 PRO HG2 . . 4.760 4.555 4.497 4.683 . 0 0 "[ . 1 . 2]" 1 592 1 46 PRO HB2 1 47 PRO HD2 . . 4.140 2.816 2.402 3.022 . 0 0 "[ . 1 . 2]" 1 593 1 46 PRO HB2 1 47 PRO HD3 . . 4.370 3.768 3.441 3.925 . 0 0 "[ . 1 . 2]" 1 594 1 46 PRO HB3 1 47 PRO HD2 . . 4.370 3.128 2.917 3.245 . 0 0 "[ . 1 . 2]" 1 595 1 46 PRO HB3 1 47 PRO HD3 . . 4.370 3.628 3.378 3.753 . 0 0 "[ . 1 . 2]" 1 596 1 47 PRO HB2 1 73 ILE MD . . 4.370 4.024 3.546 4.388 0.018 14 0 "[ . 1 . 2]" 1 597 1 47 PRO HB2 1 86 ALA MB . . 4.240 3.636 3.062 4.164 . 0 0 "[ . 1 . 2]" 1 598 1 47 PRO HB3 1 48 LEU H . . 4.370 4.212 3.531 4.618 0.248 11 0 "[ . 1 . 2]" 1 599 1 47 PRO HB3 1 86 ALA MB . . 4.050 3.575 3.065 4.068 0.018 9 0 "[ . 1 . 2]" 1 600 1 47 PRO HD2 1 78 THR HB . . 4.240 2.875 2.009 4.101 . 0 0 "[ . 1 . 2]" 1 601 1 47 PRO HD2 1 78 THR MG . . 4.050 3.760 1.890 4.072 0.022 11 0 "[ . 1 . 2]" 1 602 1 47 PRO HD3 1 78 THR HB . . 4.140 2.871 2.328 4.129 . 0 0 "[ . 1 . 2]" 1 603 1 47 PRO HG2 1 73 ILE MD . . 4.240 3.094 2.334 3.804 . 0 0 "[ . 1 . 2]" 1 604 1 47 PRO HG2 1 78 THR HB . . 4.540 2.920 2.269 4.239 . 0 0 "[ . 1 . 2]" 1 605 1 47 PRO HG2 1 86 ALA MB . . 4.370 3.449 2.323 4.168 . 0 0 "[ . 1 . 2]" 1 606 1 47 PRO HG3 1 73 ILE MD . . 4.140 3.729 2.830 4.148 0.008 3 0 "[ . 1 . 2]" 1 607 1 47 PRO HG3 1 78 THR HB . . 4.240 2.759 1.988 4.145 . 0 0 "[ . 1 . 2]" 1 608 1 47 PRO HG3 1 78 THR MG . . 3.900 3.388 2.818 3.890 . 0 0 "[ . 1 . 2]" 1 609 1 47 PRO HG3 1 86 ALA MB . . 4.050 3.030 1.957 3.672 . 0 0 "[ . 1 . 2]" 1 610 1 48 LEU H 1 48 LEU HB2 . . 4.050 2.611 2.053 2.940 . 0 0 "[ . 1 . 2]" 1 611 1 48 LEU H 1 48 LEU QD . . 4.140 2.943 2.380 3.505 . 0 0 "[ . 1 . 2]" 1 612 1 48 LEU H 1 48 LEU HG . . 3.780 2.426 1.987 3.985 0.205 11 0 "[ . 1 . 2]" 1 613 1 48 LEU HA 1 48 LEU QD . . 3.210 2.491 2.200 2.965 . 0 0 "[ . 1 . 2]" 1 614 1 48 LEU HA 1 48 LEU HG . . 4.140 2.941 2.237 3.138 . 0 0 "[ . 1 . 2]" 1 615 1 48 LEU HA 1 49 ILE H . . 3.210 2.267 2.184 2.505 . 0 0 "[ . 1 . 2]" 1 616 1 48 LEU HA 1 69 ARG HA . . 3.730 3.575 3.392 3.771 0.041 10 0 "[ . 1 . 2]" 1 617 1 48 LEU HA 1 70 VAL H . . 4.600 3.464 2.947 4.174 . 0 0 "[ . 1 . 2]" 1 618 1 48 LEU HA 1 70 VAL QG . . 4.240 3.545 2.423 4.125 . 0 0 "[ . 1 . 2]" 1 619 1 48 LEU HB2 1 48 LEU QD . . 3.260 2.167 2.051 2.258 . 0 0 "[ . 1 . 2]" 1 620 1 48 LEU HB2 1 49 ILE H . . 4.370 3.951 3.290 4.444 0.074 11 0 "[ . 1 . 2]" 1 621 1 48 LEU HB2 1 67 GLY HA2 . . 4.540 3.010 2.364 4.139 . 0 0 "[ . 1 . 2]" 1 622 1 48 LEU HB3 1 49 ILE H . . 4.140 3.111 2.536 3.447 . 0 0 "[ . 1 . 2]" 1 623 1 48 LEU HB3 1 67 GLY HA2 . . 4.240 2.237 2.042 2.675 . 0 0 "[ . 1 . 2]" 1 624 1 48 LEU HB3 1 67 GLY HA3 . . 4.760 3.469 2.983 4.260 . 0 0 "[ . 1 . 2]" 1 625 1 48 LEU QD 1 49 ILE H . . 4.340 3.862 3.432 4.115 . 0 0 "[ . 1 . 2]" 1 626 1 48 LEU QD 1 67 GLY HA2 . . 3.900 3.181 1.959 3.459 . 0 0 "[ . 1 . 2]" 1 627 1 48 LEU QD 1 67 GLY HA3 . . 4.140 3.582 2.121 3.845 . 0 0 "[ . 1 . 2]" 1 628 1 48 LEU QD 1 69 ARG HA . . 3.570 2.218 1.947 3.191 . 0 0 "[ . 1 . 2]" 1 629 1 48 LEU QD 1 69 ARG QB . . 4.760 3.086 2.756 3.738 . 0 0 "[ . 1 . 2]" 1 630 1 48 LEU QD 1 69 ARG QD . . 3.680 3.379 2.966 3.559 . 0 0 "[ . 1 . 2]" 1 631 1 49 ILE H 1 49 ILE HB . . 3.600 2.246 2.111 2.384 . 0 0 "[ . 1 . 2]" 1 632 1 49 ILE H 1 49 ILE MD . . 3.780 3.634 3.433 3.798 0.018 12 0 "[ . 1 . 2]" 1 633 1 49 ILE H 1 49 ILE HG12 . . 3.760 3.601 3.235 3.960 0.200 11 0 "[ . 1 . 2]" 1 634 1 49 ILE H 1 49 ILE HG13 . . 4.050 2.409 2.098 2.805 . 0 0 "[ . 1 . 2]" 1 635 1 49 ILE H 1 49 ILE MG . . 3.650 3.650 3.549 3.703 0.053 15 0 "[ . 1 . 2]" 1 636 1 49 ILE H 1 50 SER H . . 5.240 4.318 4.086 4.502 . 0 0 "[ . 1 . 2]" 1 637 1 49 ILE H 1 67 GLY H . . 4.850 3.198 2.727 3.593 . 0 0 "[ . 1 . 2]" 1 638 1 49 ILE H 1 68 ASP H . . 4.760 2.433 2.063 2.794 . 0 0 "[ . 1 . 2]" 1 639 1 49 ILE H 1 69 ARG HA . . 4.960 4.915 4.726 5.032 0.072 11 0 "[ . 1 . 2]" 1 640 1 49 ILE HA 1 49 ILE MD . . 3.780 3.753 3.715 3.781 0.001 8 0 "[ . 1 . 2]" 1 641 1 49 ILE HA 1 49 ILE HG12 . . 4.140 2.401 2.325 2.526 . 0 0 "[ . 1 . 2]" 1 642 1 49 ILE HA 1 49 ILE HG13 . . 4.050 2.812 2.551 3.060 . 0 0 "[ . 1 . 2]" 1 643 1 49 ILE HA 1 49 ILE MG . . 3.300 2.563 2.499 2.700 . 0 0 "[ . 1 . 2]" 1 644 1 49 ILE HA 1 50 SER H . . 3.280 2.223 2.176 2.330 . 0 0 "[ . 1 . 2]" 1 645 1 49 ILE HA 1 51 TYR H . . 4.040 4.010 3.868 4.060 0.020 10 0 "[ . 1 . 2]" 1 646 1 49 ILE HB 1 49 ILE MD . . 3.420 2.315 2.162 2.477 . 0 0 "[ . 1 . 2]" 1 647 1 49 ILE HB 1 66 ILE HA . . 3.780 3.263 2.787 3.587 . 0 0 "[ . 1 . 2]" 1 648 1 49 ILE HB 1 67 GLY H . . 3.970 2.311 1.974 2.619 . 0 0 "[ . 1 . 2]" 1 649 1 49 ILE HB 1 68 ASP H . . 3.970 2.038 1.936 2.267 . 0 0 "[ . 1 . 2]" 1 650 1 49 ILE HB 1 68 ASP QB . . 4.370 2.761 2.173 3.298 . 0 0 "[ . 1 . 2]" 1 651 1 49 ILE MD 1 52 ILE MD . . 3.840 2.790 2.376 3.044 . 0 0 "[ . 1 . 2]" 1 652 1 49 ILE MD 1 52 ILE HG13 . . 4.540 3.779 3.474 4.109 . 0 0 "[ . 1 . 2]" 1 653 1 49 ILE MD 1 64 LEU HA . . 4.370 3.416 3.055 3.761 . 0 0 "[ . 1 . 2]" 1 654 1 49 ILE MD 1 64 LEU HB2 . . 3.730 3.392 2.502 3.725 . 0 0 "[ . 1 . 2]" 1 655 1 49 ILE MD 1 64 LEU HB3 . . 3.600 2.169 1.836 2.447 . 0 0 "[ . 1 . 2]" 1 656 1 49 ILE MD 1 65 GLN H . . 4.370 3.644 2.728 4.307 . 0 0 "[ . 1 . 2]" 1 657 1 49 ILE MD 1 66 ILE HA . . 4.760 4.152 3.802 4.403 . 0 0 "[ . 1 . 2]" 1 658 1 49 ILE MD 1 67 GLY H . . 4.760 4.128 3.869 4.462 . 0 0 "[ . 1 . 2]" 1 659 1 49 ILE MD 1 68 ASP H . . 4.240 3.374 2.994 3.686 . 0 0 "[ . 1 . 2]" 1 660 1 49 ILE MD 1 68 ASP QB . . 3.390 2.344 1.979 2.798 . 0 0 "[ . 1 . 2]" 1 661 1 49 ILE HG12 1 49 ILE MG . . 3.730 2.456 2.352 2.529 . 0 0 "[ . 1 . 2]" 1 662 1 49 ILE HG12 1 68 ASP QB . . 4.760 4.225 3.445 5.117 0.357 5 0 "[ . 1 . 2]" 1 663 1 49 ILE MG 1 50 SER H . . 3.680 3.249 2.956 3.607 . 0 0 "[ . 1 . 2]" 1 664 1 49 ILE MG 1 50 SER HA . . 4.370 4.203 3.901 4.379 0.009 11 0 "[ . 1 . 2]" 1 665 1 49 ILE MG 1 51 TYR H . . 3.420 2.856 2.618 3.097 . 0 0 "[ . 1 . 2]" 1 666 1 49 ILE MG 1 52 ILE HB . . 4.240 4.001 3.843 4.219 . 0 0 "[ . 1 . 2]" 1 667 1 49 ILE MG 1 52 ILE MD . . 2.920 2.134 1.807 2.344 . 0 0 "[ . 1 . 2]" 1 668 1 49 ILE MG 1 52 ILE HG12 . . 3.730 2.120 1.911 2.376 . 0 0 "[ . 1 . 2]" 1 669 1 49 ILE MG 1 52 ILE HG13 . . 3.470 1.988 1.869 2.146 . 0 0 "[ . 1 . 2]" 1 670 1 49 ILE MG 1 66 ILE H . . 4.530 4.245 3.969 4.522 . 0 0 "[ . 1 . 2]" 1 671 1 49 ILE MG 1 66 ILE HA . . 3.320 2.154 1.969 2.603 . 0 0 "[ . 1 . 2]" 1 672 1 49 ILE MG 1 66 ILE HG12 . . 3.900 3.750 3.524 3.912 0.012 15 0 "[ . 1 . 2]" 1 673 1 49 ILE MG 1 67 GLY H . . 3.970 2.682 2.178 3.064 . 0 0 "[ . 1 . 2]" 1 674 1 49 ILE MG 1 68 ASP H . . 4.540 3.526 3.257 3.798 . 0 0 "[ . 1 . 2]" 1 675 1 50 SER H 1 50 SER HB2 . . 4.050 2.687 2.305 3.286 . 0 0 "[ . 1 . 2]" 1 676 1 50 SER H 1 51 TYR H . . 3.250 2.818 2.488 3.171 . 0 0 "[ . 1 . 2]" 1 677 1 50 SER HB2 1 51 TYR H . . 4.540 3.880 3.629 4.131 . 0 0 "[ . 1 . 2]" 1 678 1 50 SER HB3 1 51 TYR H . . 5.100 2.495 2.236 3.129 . 0 0 "[ . 1 . 2]" 1 679 1 51 TYR H 1 51 TYR HB2 . . 3.960 3.201 3.065 3.345 . 0 0 "[ . 1 . 2]" 1 680 1 51 TYR H 1 51 TYR QD . . 4.850 4.255 4.128 4.350 . 0 0 "[ . 1 . 2]" 1 681 1 51 TYR H 1 52 ILE H . . 4.850 4.409 4.365 4.446 . 0 0 "[ . 1 . 2]" 1 682 1 51 TYR H 1 66 ILE MD . . 4.370 3.716 3.444 3.806 . 0 0 "[ . 1 . 2]" 1 683 1 51 TYR H 1 66 ILE MG . . 4.760 4.673 4.400 4.781 0.021 15 0 "[ . 1 . 2]" 1 684 1 51 TYR HA 1 51 TYR QD . . 3.110 2.758 2.624 2.895 . 0 0 "[ . 1 . 2]" 1 685 1 51 TYR HA 1 52 ILE H . . 3.010 2.391 2.320 2.497 . 0 0 "[ . 1 . 2]" 1 686 1 51 TYR HA 1 52 ILE HA . . 4.540 4.416 4.380 4.462 . 0 0 "[ . 1 . 2]" 1 687 1 51 TYR HA 1 52 ILE HB . . 4.540 4.497 4.395 4.547 0.007 8 0 "[ . 1 . 2]" 1 688 1 51 TYR HA 1 66 ILE MD . . 3.260 1.815 1.755 1.847 . 0 0 "[ . 1 . 2]" 1 689 1 51 TYR HA 1 66 ILE HG12 . . 4.370 4.454 4.419 4.501 0.131 2 0 "[ . 1 . 2]" 1 690 1 51 TYR HA 1 66 ILE HG13 . . 4.370 4.273 3.753 4.400 0.030 17 0 "[ . 1 . 2]" 1 691 1 51 TYR HA 1 66 ILE MG . . 3.780 3.111 2.618 3.214 . 0 0 "[ . 1 . 2]" 1 692 1 51 TYR HB2 1 52 ILE H . . 4.540 3.995 3.894 4.073 . 0 0 "[ . 1 . 2]" 1 693 1 51 TYR HB3 1 52 ILE H . . 4.370 3.883 3.645 4.110 . 0 0 "[ . 1 . 2]" 1 694 1 51 TYR HB3 1 66 ILE MD . . 4.540 4.249 4.165 4.295 . 0 0 "[ . 1 . 2]" 1 695 1 51 TYR QD 1 52 ILE H . . 3.080 3.051 2.874 3.098 0.018 8 0 "[ . 1 . 2]" 1 696 1 51 TYR QD 1 53 GLU HA . . 3.890 3.566 3.313 3.816 . 0 0 "[ . 1 . 2]" 1 697 1 51 TYR QD 1 53 GLU QG . . 4.540 4.006 3.706 4.291 . 0 0 "[ . 1 . 2]" 1 698 1 51 TYR QD 1 66 ILE MD . . 3.770 2.873 2.456 3.257 . 0 0 "[ . 1 . 2]" 1 699 1 51 TYR QE 1 53 GLU HA . . 3.080 2.079 1.989 2.281 . 0 0 "[ . 1 . 2]" 1 700 1 51 TYR QE 1 53 GLU QB . . 4.050 3.930 3.635 4.067 0.017 19 0 "[ . 1 . 2]" 1 701 1 51 TYR QE 1 53 GLU QG . . 3.460 2.711 2.398 2.918 . 0 0 "[ . 1 . 2]" 1 702 1 51 TYR QE 1 54 ALA H . . 3.890 3.748 3.533 3.918 0.028 2 0 "[ . 1 . 2]" 1 703 1 52 ILE H 1 52 ILE HB . . 3.560 2.621 2.481 2.742 . 0 0 "[ . 1 . 2]" 1 704 1 52 ILE H 1 52 ILE MD . . 4.070 3.775 3.509 3.999 . 0 0 "[ . 1 . 2]" 1 705 1 52 ILE H 1 52 ILE HG13 . . 4.240 2.920 2.790 3.153 . 0 0 "[ . 1 . 2]" 1 706 1 52 ILE H 1 52 ILE MG . . 4.240 3.818 3.741 3.874 . 0 0 "[ . 1 . 2]" 1 707 1 52 ILE H 1 53 GLU H . . 4.850 4.119 3.991 4.187 . 0 0 "[ . 1 . 2]" 1 708 1 52 ILE H 1 66 ILE MD . . 3.440 2.025 1.928 2.204 . 0 0 "[ . 1 . 2]" 1 709 1 52 ILE H 1 66 ILE HG12 . . 4.760 4.326 4.204 4.520 . 0 0 "[ . 1 . 2]" 1 710 1 52 ILE H 1 66 ILE MG . . 4.530 4.525 4.349 4.560 0.030 18 0 "[ . 1 . 2]" 1 711 1 52 ILE HA 1 52 ILE MD . . 3.900 3.870 3.829 3.890 . 0 0 "[ . 1 . 2]" 1 712 1 52 ILE HA 1 52 ILE HG12 . . 3.970 2.729 2.606 2.843 . 0 0 "[ . 1 . 2]" 1 713 1 52 ILE HA 1 52 ILE HG13 . . 3.840 2.771 2.574 2.934 . 0 0 "[ . 1 . 2]" 1 714 1 52 ILE HA 1 52 ILE MG . . 3.350 2.459 2.414 2.530 . 0 0 "[ . 1 . 2]" 1 715 1 52 ILE HA 1 53 GLU H . . 3.300 2.186 2.180 2.199 . 0 0 "[ . 1 . 2]" 1 716 1 52 ILE HA 1 66 ILE MD . . 4.370 3.846 3.691 3.994 . 0 0 "[ . 1 . 2]" 1 717 1 52 ILE HB 1 52 ILE MD . . 3.060 2.097 1.994 2.198 . 0 0 "[ . 1 . 2]" 1 718 1 52 ILE HB 1 53 GLU H . . 4.530 4.478 4.431 4.531 0.001 18 0 "[ . 1 . 2]" 1 719 1 52 ILE HB 1 66 ILE MD . . 4.050 2.588 2.323 2.753 . 0 0 "[ . 1 . 2]" 1 720 1 52 ILE MD 1 64 LEU H . . 4.540 4.374 4.001 4.554 0.014 18 0 "[ . 1 . 2]" 1 721 1 52 ILE MD 1 64 LEU HB2 . . 3.600 2.775 2.328 2.961 . 0 0 "[ . 1 . 2]" 1 722 1 52 ILE MD 1 64 LEU HB3 . . 3.600 2.868 2.379 3.495 . 0 0 "[ . 1 . 2]" 1 723 1 52 ILE MD 1 64 LEU QD . . 3.900 3.585 3.334 3.713 . 0 0 "[ . 1 . 2]" 1 724 1 52 ILE MD 1 65 GLN HA . . 3.300 2.953 2.858 3.120 . 0 0 "[ . 1 . 2]" 1 725 1 52 ILE MD 1 65 GLN HB2 . . 4.880 4.903 4.623 5.048 0.168 12 0 "[ . 1 . 2]" 1 726 1 52 ILE MD 1 65 GLN QG . . 4.370 4.290 4.040 4.437 0.067 19 0 "[ . 1 . 2]" 1 727 1 52 ILE MD 1 66 ILE H . . 3.680 2.951 2.658 3.296 . 0 0 "[ . 1 . 2]" 1 728 1 52 ILE MD 1 66 ILE HA . . 4.540 2.473 2.269 2.714 . 0 0 "[ . 1 . 2]" 1 729 1 52 ILE MD 1 66 ILE HG12 . . 3.840 2.211 1.985 2.434 . 0 0 "[ . 1 . 2]" 1 730 1 52 ILE MD 1 66 ILE HG13 . . 4.760 3.629 3.329 3.809 . 0 0 "[ . 1 . 2]" 1 731 1 52 ILE MD 1 66 ILE MG . . 3.970 3.960 3.902 3.992 0.022 19 0 "[ . 1 . 2]" 1 732 1 52 ILE HG13 1 52 ILE MG . . 3.640 3.205 3.165 3.233 . 0 0 "[ . 1 . 2]" 1 733 1 52 ILE MG 1 53 GLU H . . 3.600 3.157 3.021 3.278 . 0 0 "[ . 1 . 2]" 1 734 1 52 ILE MG 1 53 GLU QB . . 4.370 3.993 3.887 4.109 . 0 0 "[ . 1 . 2]" 1 735 1 52 ILE MG 1 56 SER H . . 4.760 4.682 4.576 4.814 0.054 19 0 "[ . 1 . 2]" 1 736 1 52 ILE MG 1 56 SER HG . . 3.900 2.737 2.465 3.051 . 0 0 "[ . 1 . 2]" 1 737 1 52 ILE MG 1 58 ALA H . . 4.850 4.086 3.926 4.325 . 0 0 "[ . 1 . 2]" 1 738 1 52 ILE MG 1 58 ALA MB . . 3.030 2.141 2.008 2.426 . 0 0 "[ . 1 . 2]" 1 739 1 52 ILE MG 1 59 GLU H . . 3.680 3.220 2.843 3.502 . 0 0 "[ . 1 . 2]" 1 740 1 52 ILE MG 1 59 GLU HA . . 3.260 2.534 2.236 2.782 . 0 0 "[ . 1 . 2]" 1 741 1 52 ILE MG 1 59 GLU HB2 . . 3.350 2.077 1.917 2.544 . 0 0 "[ . 1 . 2]" 1 742 1 52 ILE MG 1 59 GLU HB3 . . 3.730 3.532 3.359 3.740 0.010 19 0 "[ . 1 . 2]" 1 743 1 52 ILE MG 1 59 GLU QG . . 3.840 3.522 3.404 3.843 0.003 19 0 "[ . 1 . 2]" 1 744 1 52 ILE MG 1 60 ARG H . . 5.120 4.754 4.511 5.017 . 0 0 "[ . 1 . 2]" 1 745 1 52 ILE MG 1 64 LEU HB2 . . 4.760 3.543 3.326 3.808 . 0 0 "[ . 1 . 2]" 1 746 1 53 GLU H 1 53 GLU QB . . 3.190 2.027 2.001 2.070 . 0 0 "[ . 1 . 2]" 1 747 1 53 GLU H 1 53 GLU QG . . 4.140 3.541 3.431 3.628 . 0 0 "[ . 1 . 2]" 1 748 1 53 GLU H 1 54 ALA H . . 4.960 4.672 4.668 4.674 . 0 0 "[ . 1 . 2]" 1 749 1 53 GLU H 1 56 SER HB3 . . 5.240 4.403 4.251 4.530 . 0 0 "[ . 1 . 2]" 1 750 1 53 GLU H 1 56 SER HG . . 4.850 3.953 3.564 4.493 . 0 0 "[ . 1 . 2]" 1 751 1 53 GLU HA 1 53 GLU QG . . 3.730 2.090 1.996 2.294 . 0 0 "[ . 1 . 2]" 1 752 1 53 GLU HA 1 54 ALA H . . 2.820 2.390 2.355 2.446 . 0 0 "[ . 1 . 2]" 1 753 1 53 GLU HA 1 54 ALA MB . . 3.970 3.957 3.925 3.975 0.005 18 0 "[ . 1 . 2]" 1 754 1 53 GLU QB 1 54 ALA H . . 3.900 3.101 2.758 3.282 . 0 0 "[ . 1 . 2]" 1 755 1 53 GLU QB 1 54 ALA MB . . 4.540 4.467 4.250 4.558 0.018 18 0 "[ . 1 . 2]" 1 756 1 53 GLU QB 1 56 SER H . . 4.760 4.229 4.046 4.419 . 0 0 "[ . 1 . 2]" 1 757 1 53 GLU QB 1 56 SER HA . . 4.540 4.513 4.351 4.577 0.037 15 0 "[ . 1 . 2]" 1 758 1 53 GLU QB 1 56 SER HB2 . . 3.900 3.034 2.754 3.317 . 0 0 "[ . 1 . 2]" 1 759 1 53 GLU QB 1 56 SER HB3 . . 3.600 2.255 2.031 2.469 . 0 0 "[ . 1 . 2]" 1 760 1 53 GLU QB 1 56 SER HG . . 4.050 3.309 2.975 3.749 . 0 0 "[ . 1 . 2]" 1 761 1 53 GLU QB 1 58 ALA MB . . 4.370 4.262 4.073 4.363 . 0 0 "[ . 1 . 2]" 1 762 1 53 GLU QG 1 54 ALA H . . 4.140 2.623 2.390 2.965 . 0 0 "[ . 1 . 2]" 1 763 1 53 GLU QG 1 54 ALA MB . . 4.540 4.108 3.934 4.396 . 0 0 "[ . 1 . 2]" 1 764 1 54 ALA H 1 54 ALA MB . . 2.850 2.084 2.054 2.120 . 0 0 "[ . 1 . 2]" 1 765 1 54 ALA H 1 55 ASP H . . 5.090 4.587 4.569 4.609 . 0 0 "[ . 1 . 2]" 1 766 1 54 ALA HA 1 55 ASP H . . 2.920 2.477 2.406 2.551 . 0 0 "[ . 1 . 2]" 1 767 1 54 ALA HA 1 56 SER H . . 4.240 3.052 2.992 3.195 . 0 0 "[ . 1 . 2]" 1 768 1 54 ALA HA 1 59 GLU QG . . 4.240 3.332 2.889 3.623 . 0 0 "[ . 1 . 2]" 1 769 1 54 ALA MB 1 55 ASP H . . 3.420 2.481 2.320 2.657 . 0 0 "[ . 1 . 2]" 1 770 1 54 ALA MB 1 55 ASP HA . . 4.140 4.100 4.050 4.146 0.006 1 0 "[ . 1 . 2]" 1 771 1 54 ALA MB 1 55 ASP HB2 . . 4.540 3.193 3.124 3.356 . 0 0 "[ . 1 . 2]" 1 772 1 54 ALA MB 1 55 ASP HB3 . . 4.140 4.172 3.810 4.529 0.389 19 0 "[ . 1 . 2]" 1 773 1 55 ASP H 1 55 ASP HB2 . . 4.050 3.000 2.902 3.118 . 0 0 "[ . 1 . 2]" 1 774 1 55 ASP H 1 55 ASP HB3 . . 4.140 3.798 3.604 3.992 . 0 0 "[ . 1 . 2]" 1 775 1 55 ASP H 1 56 SER H . . 3.720 2.748 2.644 2.850 . 0 0 "[ . 1 . 2]" 1 776 1 55 ASP H 1 59 GLU HB2 . . 5.240 4.875 4.452 5.085 . 0 0 "[ . 1 . 2]" 1 777 1 55 ASP H 1 59 GLU HB3 . . 4.540 3.888 3.462 4.154 . 0 0 "[ . 1 . 2]" 1 778 1 55 ASP H 1 59 GLU QG . . 4.540 4.054 3.684 4.244 . 0 0 "[ . 1 . 2]" 1 779 1 56 SER H 1 56 SER HB2 . . 4.130 3.624 3.511 3.709 . 0 0 "[ . 1 . 2]" 1 780 1 56 SER H 1 56 SER HB3 . . 3.770 2.449 2.278 2.618 . 0 0 "[ . 1 . 2]" 1 781 1 56 SER H 1 56 SER HG . . 3.530 3.153 2.510 3.529 . 0 0 "[ . 1 . 2]" 1 782 1 56 SER H 1 57 PRO HD3 . . 4.760 4.816 4.808 4.825 0.065 1 0 "[ . 1 . 2]" 1 783 1 56 SER H 1 59 GLU H . . 4.200 3.750 3.539 3.876 . 0 0 "[ . 1 . 2]" 1 784 1 56 SER H 1 59 GLU HB2 . . 3.870 3.723 3.509 3.856 . 0 0 "[ . 1 . 2]" 1 785 1 56 SER H 1 59 GLU HB3 . . 3.710 2.915 2.658 3.140 . 0 0 "[ . 1 . 2]" 1 786 1 56 SER H 1 59 GLU QG . . 4.540 4.355 4.152 4.556 0.016 12 0 "[ . 1 . 2]" 1 787 1 56 SER H 1 60 ARG H . . 4.760 4.452 3.910 4.778 0.018 19 0 "[ . 1 . 2]" 1 788 1 56 SER HA 1 57 PRO HD2 . . 3.600 2.928 2.861 3.011 . 0 0 "[ . 1 . 2]" 1 789 1 56 SER HA 1 57 PRO HD3 . . 3.470 2.145 2.097 2.208 . 0 0 "[ . 1 . 2]" 1 790 1 56 SER HA 1 58 ALA H . . 5.240 4.132 4.040 4.298 . 0 0 "[ . 1 . 2]" 1 791 1 56 SER HB2 1 57 PRO HD2 . . 3.640 2.151 1.971 2.438 . 0 0 "[ . 1 . 2]" 1 792 1 56 SER HB2 1 57 PRO HD3 . . 3.730 2.804 2.630 2.990 . 0 0 "[ . 1 . 2]" 1 793 1 56 SER HB2 1 58 ALA H . . 3.850 3.317 3.045 3.588 . 0 0 "[ . 1 . 2]" 1 794 1 56 SER HB3 1 57 PRO HD2 . . 3.970 3.678 3.577 3.776 . 0 0 "[ . 1 . 2]" 1 795 1 56 SER HB3 1 58 ALA H . . 4.370 4.058 3.859 4.217 . 0 0 "[ . 1 . 2]" 1 796 1 56 SER HG 1 58 ALA H . . 4.960 2.839 2.282 3.364 . 0 0 "[ . 1 . 2]" 1 797 1 56 SER HG 1 59 GLU H . . 3.980 2.512 1.987 2.913 . 0 0 "[ . 1 . 2]" 1 798 1 56 SER HG 1 59 GLU HB2 . . 4.540 2.903 2.409 3.813 . 0 0 "[ . 1 . 2]" 1 799 1 57 PRO HA 1 59 GLU H . . 4.960 3.824 3.632 4.279 . 0 0 "[ . 1 . 2]" 1 800 1 57 PRO HA 1 60 ARG H . . 4.240 2.937 2.821 3.122 . 0 0 "[ . 1 . 2]" 1 801 1 57 PRO HA 1 60 ARG HB2 . . 3.530 2.043 1.984 2.239 . 0 0 "[ . 1 . 2]" 1 802 1 57 PRO HA 1 60 ARG HB3 . . 4.050 3.633 3.540 3.870 . 0 0 "[ . 1 . 2]" 1 803 1 57 PRO HA 1 60 ARG HD2 . . 4.240 3.847 2.589 4.576 0.336 14 0 "[ . 1 . 2]" 1 804 1 57 PRO HA 1 60 ARG HG2 . . 4.540 4.229 3.760 4.479 . 0 0 "[ . 1 . 2]" 1 805 1 57 PRO HA 1 60 ARG HG3 . . 4.370 2.781 2.207 3.109 . 0 0 "[ . 1 . 2]" 1 806 1 57 PRO HA 1 61 CYS H . . 4.760 4.018 3.662 4.271 . 0 0 "[ . 1 . 2]" 1 807 1 57 PRO HB2 1 58 ALA H . . 3.870 3.650 3.505 3.764 . 0 0 "[ . 1 . 2]" 1 808 1 57 PRO HB3 1 58 ALA H . . 4.420 4.415 4.335 4.476 0.056 12 0 "[ . 1 . 2]" 1 809 1 57 PRO HB3 1 60 ARG H . . 5.440 5.205 5.072 5.413 . 0 0 "[ . 1 . 2]" 1 810 1 57 PRO HD2 1 58 ALA H . . 4.140 2.340 2.275 2.413 . 0 0 "[ . 1 . 2]" 1 811 1 57 PRO HD3 1 58 ALA H . . 4.320 3.673 3.656 3.697 . 0 0 "[ . 1 . 2]" 1 812 1 57 PRO HG2 1 58 ALA H . . 4.420 3.272 3.078 3.434 . 0 0 "[ . 1 . 2]" 1 813 1 57 PRO HG3 1 58 ALA H . . 4.530 4.361 4.234 4.468 . 0 0 "[ . 1 . 2]" 1 814 1 58 ALA H 1 58 ALA MB . . 3.000 2.135 2.058 2.180 . 0 0 "[ . 1 . 2]" 1 815 1 58 ALA H 1 60 ARG H . . 5.240 3.776 3.592 3.988 . 0 0 "[ . 1 . 2]" 1 816 1 58 ALA H 1 64 LEU QD . . 4.670 4.384 4.117 4.647 . 0 0 "[ . 1 . 2]" 1 817 1 58 ALA HA 1 61 CYS H . . 4.760 4.103 3.756 4.484 . 0 0 "[ . 1 . 2]" 1 818 1 58 ALA HA 1 64 LEU QD . . 3.390 2.221 1.927 2.532 . 0 0 "[ . 1 . 2]" 1 819 1 58 ALA MB 1 59 GLU H . . 3.940 2.892 2.639 2.972 . 0 0 "[ . 1 . 2]" 1 820 1 58 ALA MB 1 59 GLU HA . . 4.050 3.967 3.833 3.994 . 0 0 "[ . 1 . 2]" 1 821 1 58 ALA MB 1 59 GLU HB2 . . 4.370 3.916 3.783 4.170 . 0 0 "[ . 1 . 2]" 1 822 1 58 ALA MB 1 61 CYS H . . 5.440 5.188 4.858 5.465 0.025 14 0 "[ . 1 . 2]" 1 823 1 58 ALA MB 1 64 LEU QD . . 2.940 2.155 1.975 2.634 . 0 0 "[ . 1 . 2]" 1 824 1 59 GLU H 1 59 GLU HB2 . . 3.690 2.646 2.444 2.987 . 0 0 "[ . 1 . 2]" 1 825 1 59 GLU H 1 59 GLU HB3 . . 3.650 2.562 2.270 2.653 . 0 0 "[ . 1 . 2]" 1 826 1 59 GLU H 1 59 GLU QG . . 4.140 4.052 4.021 4.084 . 0 0 "[ . 1 . 2]" 1 827 1 59 GLU H 1 60 ARG H . . 3.460 2.192 2.120 2.444 . 0 0 "[ . 1 . 2]" 1 828 1 59 GLU H 1 60 ARG HB2 . . 4.670 4.072 3.966 4.389 . 0 0 "[ . 1 . 2]" 1 829 1 59 GLU HA 1 59 GLU QG . . 3.080 2.685 2.419 2.787 . 0 0 "[ . 1 . 2]" 1 830 1 59 GLU HA 1 62 GLY H . . 3.870 3.176 2.918 3.344 . 0 0 "[ . 1 . 2]" 1 831 1 59 GLU HB2 1 60 ARG H . . 4.320 4.043 3.791 4.236 . 0 0 "[ . 1 . 2]" 1 832 1 59 GLU HB3 1 60 ARG H . . 3.940 3.041 2.686 3.422 . 0 0 "[ . 1 . 2]" 1 833 1 59 GLU QG 1 60 ARG H . . 4.370 4.125 3.899 4.362 . 0 0 "[ . 1 . 2]" 1 834 1 59 GLU QG 1 60 ARG HA . . 4.240 4.093 3.905 4.246 0.006 10 0 "[ . 1 . 2]" 1 835 1 60 ARG H 1 60 ARG HB2 . . 3.330 2.184 2.073 2.291 . 0 0 "[ . 1 . 2]" 1 836 1 60 ARG H 1 60 ARG HB3 . . 4.040 3.464 3.371 3.525 . 0 0 "[ . 1 . 2]" 1 837 1 60 ARG H 1 60 ARG HD2 . . 5.440 4.843 4.315 5.153 . 0 0 "[ . 1 . 2]" 1 838 1 60 ARG H 1 60 ARG HG2 . . 3.780 3.413 3.058 3.745 . 0 0 "[ . 1 . 2]" 1 839 1 60 ARG H 1 60 ARG HG3 . . 3.900 2.996 2.705 3.316 . 0 0 "[ . 1 . 2]" 1 840 1 60 ARG H 1 61 CYS H . . 3.760 2.814 2.456 3.104 . 0 0 "[ . 1 . 2]" 1 841 1 60 ARG H 1 62 GLY H . . 5.240 4.001 3.674 4.181 . 0 0 "[ . 1 . 2]" 1 842 1 60 ARG HA 1 60 ARG HD2 . . 4.540 4.294 3.940 4.534 . 0 0 "[ . 1 . 2]" 1 843 1 60 ARG HA 1 60 ARG HD3 . . 4.370 3.875 3.454 4.433 0.063 14 0 "[ . 1 . 2]" 1 844 1 60 ARG HA 1 60 ARG HG2 . . 3.190 2.094 2.001 2.264 . 0 0 "[ . 1 . 2]" 1 845 1 60 ARG HA 1 60 ARG HG3 . . 3.320 3.178 2.870 3.332 0.012 3 0 "[ . 1 . 2]" 1 846 1 60 ARG HA 1 62 GLY H . . 4.540 4.332 4.001 4.558 0.018 10 0 "[ . 1 . 2]" 1 847 1 60 ARG HB2 1 60 ARG HD2 . . 4.140 3.053 2.530 4.078 . 0 0 "[ . 1 . 2]" 1 848 1 60 ARG HB2 1 61 CYS H . . 4.010 2.677 2.465 2.851 . 0 0 "[ . 1 . 2]" 1 849 1 60 ARG HB3 1 60 ARG HD2 . . 3.680 2.488 2.014 3.551 . 0 0 "[ . 1 . 2]" 1 850 1 60 ARG HB3 1 61 CYS H . . 4.420 3.114 2.655 3.489 . 0 0 "[ . 1 . 2]" 1 851 1 60 ARG HG3 1 61 CYS H . . 5.240 4.780 4.646 4.927 . 0 0 "[ . 1 . 2]" 1 852 1 61 CYS H 1 61 CYS HB2 . . 3.590 2.633 2.060 3.564 . 0 0 "[ . 1 . 2]" 1 853 1 61 CYS H 1 61 CYS HB3 . . 3.830 3.163 2.499 3.568 . 0 0 "[ . 1 . 2]" 1 854 1 61 CYS H 1 61 CYS HG . . 4.160 3.375 1.949 4.254 0.094 4 0 "[ . 1 . 2]" 1 855 1 61 CYS H 1 62 GLY H . . 3.550 2.660 2.527 2.710 . 0 0 "[ . 1 . 2]" 1 856 1 61 CYS H 1 62 GLY HA2 . . 5.240 4.864 4.762 4.902 . 0 0 "[ . 1 . 2]" 1 857 1 61 CYS H 1 62 GLY HA3 . . 4.850 5.116 5.011 5.167 0.317 18 0 "[ . 1 . 2]" 1 858 1 61 CYS HA 1 63 VAL H . . 4.850 4.182 3.940 4.858 0.008 19 0 "[ . 1 . 2]" 1 859 1 61 CYS HB2 1 62 GLY H . . 4.850 3.257 2.650 4.028 . 0 0 "[ . 1 . 2]" 1 860 1 61 CYS HB2 1 63 VAL MG2 . . 4.240 2.668 1.976 3.574 . 0 0 "[ . 1 . 2]" 1 861 1 61 CYS HB3 1 62 GLY H . . 5.240 3.568 2.834 4.257 . 0 0 "[ . 1 . 2]" 1 862 1 61 CYS HB3 1 63 VAL H . . 4.540 3.269 2.047 4.911 0.371 19 0 "[ . 1 . 2]" 1 863 1 61 CYS HB3 1 63 VAL MG1 . . 3.680 3.081 2.020 4.671 0.991 13 1 "[ . 1 + . 2]" 1 864 1 61 CYS HB3 1 63 VAL MG2 . . 3.970 2.526 1.963 3.722 . 0 0 "[ . 1 . 2]" 1 865 1 61 CYS HG 1 62 GLY H . . 4.850 4.276 1.951 4.906 0.056 6 0 "[ . 1 . 2]" 1 866 1 61 CYS HG 1 63 VAL H . . 5.090 4.252 1.943 5.157 0.067 7 0 "[ . 1 . 2]" 1 867 1 62 GLY H 1 63 VAL MG2 . . 4.960 3.860 3.387 4.163 . 0 0 "[ . 1 . 2]" 1 868 1 62 GLY H 1 64 LEU H . . 4.960 3.529 3.190 4.378 . 0 0 "[ . 1 . 2]" 1 869 1 63 VAL H 1 63 VAL HB . . 4.050 3.583 3.509 3.738 . 0 0 "[ . 1 . 2]" 1 870 1 63 VAL H 1 63 VAL MG1 . . 3.530 2.301 1.919 2.858 . 0 0 "[ . 1 . 2]" 1 871 1 63 VAL H 1 63 VAL MG2 . . 3.090 2.105 1.957 2.442 . 0 0 "[ . 1 . 2]" 1 872 1 63 VAL H 1 64 LEU H . . 3.160 2.462 1.860 2.929 . 0 0 "[ . 1 . 2]" 1 873 1 63 VAL H 1 64 LEU HG . . 4.370 4.004 3.337 4.627 0.257 19 0 "[ . 1 . 2]" 1 874 1 63 VAL HA 1 63 VAL MG1 . . 3.060 2.344 2.220 2.469 . 0 0 "[ . 1 . 2]" 1 875 1 63 VAL HA 1 63 VAL MG2 . . 3.600 3.212 3.205 3.219 . 0 0 "[ . 1 . 2]" 1 876 1 63 VAL HB 1 64 LEU H . . 4.850 4.131 3.744 4.389 . 0 0 "[ . 1 . 2]" 1 877 1 63 VAL MG1 1 64 LEU H . . 4.240 4.026 3.877 4.229 . 0 0 "[ . 1 . 2]" 1 878 1 63 VAL MG2 1 64 LEU H . . 3.900 2.395 2.021 2.886 . 0 0 "[ . 1 . 2]" 1 879 1 63 VAL MG2 1 64 LEU HA . . 4.240 3.512 3.234 3.919 . 0 0 "[ . 1 . 2]" 1 880 1 63 VAL MG2 1 64 LEU HG . . 3.780 2.194 1.950 3.779 . 0 0 "[ . 1 . 2]" 1 881 1 64 LEU H 1 64 LEU HB2 . . 3.510 2.540 2.386 2.828 . 0 0 "[ . 1 . 2]" 1 882 1 64 LEU H 1 64 LEU HB3 . . 4.040 3.611 3.556 3.758 . 0 0 "[ . 1 . 2]" 1 883 1 64 LEU H 1 64 LEU QD . . 3.610 3.040 1.759 3.300 . 0 0 "[ . 1 . 2]" 1 884 1 64 LEU H 1 64 LEU HG . . 3.460 2.469 2.089 3.742 0.282 19 0 "[ . 1 . 2]" 1 885 1 64 LEU H 1 65 GLN H . . 5.240 4.366 4.207 4.550 . 0 0 "[ . 1 . 2]" 1 886 1 64 LEU HA 1 64 LEU QD . . 3.120 2.317 1.979 2.801 . 0 0 "[ . 1 . 2]" 1 887 1 64 LEU HA 1 65 GLN HA . . 4.370 4.352 4.326 4.397 0.027 15 0 "[ . 1 . 2]" 1 888 1 64 LEU HB2 1 64 LEU QD . . 3.180 2.085 1.941 2.223 . 0 0 "[ . 1 . 2]" 1 889 1 64 LEU HB2 1 65 GLN H . . 4.760 4.330 3.756 4.540 . 0 0 "[ . 1 . 2]" 1 890 1 64 LEU HB3 1 64 LEU QD . . 3.160 2.098 1.921 2.475 . 0 0 "[ . 1 . 2]" 1 891 1 64 LEU HB3 1 65 GLN H . . 4.370 3.638 2.651 3.954 . 0 0 "[ . 1 . 2]" 1 892 1 64 LEU QD 1 65 GLN H . . 4.240 3.874 3.560 4.026 . 0 0 "[ . 1 . 2]" 1 893 1 64 LEU QD 1 103 ILE MD . . 3.090 2.672 2.308 3.100 0.010 19 0 "[ . 1 . 2]" 1 894 1 64 LEU QD 1 103 ILE HG12 . . 3.900 3.430 3.172 3.757 . 0 0 "[ . 1 . 2]" 1 895 1 64 LEU QD 1 103 ILE HG13 . . 3.500 2.534 2.109 2.899 . 0 0 "[ . 1 . 2]" 1 896 1 65 GLN H 1 65 GLN HB2 . . 3.680 2.611 2.320 3.660 . 0 0 "[ . 1 . 2]" 1 897 1 65 GLN H 1 65 GLN HB3 . . 3.780 3.146 2.473 3.692 . 0 0 "[ . 1 . 2]" 1 898 1 65 GLN HA 1 65 GLN QG . . 3.900 2.368 2.096 3.339 . 0 0 "[ . 1 . 2]" 1 899 1 65 GLN HA 1 66 ILE H . . 3.210 2.374 2.294 2.475 . 0 0 "[ . 1 . 2]" 1 900 1 65 GLN HA 1 66 ILE HB . . 4.760 4.703 4.649 4.776 0.016 13 0 "[ . 1 . 2]" 1 901 1 65 GLN HB2 1 66 ILE H . . 3.940 3.957 2.556 4.106 0.166 14 0 "[ . 1 . 2]" 1 902 1 65 GLN HB3 1 66 ILE H . . 4.040 3.276 2.574 3.971 . 0 0 "[ . 1 . 2]" 1 903 1 65 GLN QG 1 66 ILE H . . 4.140 3.097 1.905 4.139 . 0 0 "[ . 1 . 2]" 1 904 1 66 ILE H 1 66 ILE HB . . 3.230 2.343 2.276 2.413 . 0 0 "[ . 1 . 2]" 1 905 1 66 ILE H 1 66 ILE MD . . 3.840 3.672 3.346 3.846 0.006 6 0 "[ . 1 . 2]" 1 906 1 66 ILE H 1 66 ILE HG12 . . 3.440 2.216 2.008 2.434 . 0 0 "[ . 1 . 2]" 1 907 1 66 ILE H 1 66 ILE HG13 . . 3.560 3.318 3.178 3.532 . 0 0 "[ . 1 . 2]" 1 908 1 66 ILE H 1 66 ILE MG . . 3.780 3.691 3.671 3.704 . 0 0 "[ . 1 . 2]" 1 909 1 66 ILE H 1 67 GLY H . . 5.090 4.475 4.339 4.564 . 0 0 "[ . 1 . 2]" 1 910 1 66 ILE HA 1 66 ILE MD . . 3.680 2.269 2.081 2.376 . 0 0 "[ . 1 . 2]" 1 911 1 66 ILE HA 1 66 ILE HG12 . . 3.970 2.708 2.603 2.919 . 0 0 "[ . 1 . 2]" 1 912 1 66 ILE HA 1 66 ILE HG13 . . 3.970 3.713 3.685 3.739 . 0 0 "[ . 1 . 2]" 1 913 1 66 ILE HA 1 66 ILE MG . . 3.160 2.435 2.359 2.520 . 0 0 "[ . 1 . 2]" 1 914 1 66 ILE HA 1 67 GLY H . . 3.040 2.183 2.176 2.209 . 0 0 "[ . 1 . 2]" 1 915 1 66 ILE HA 1 67 GLY HA3 . . 4.540 4.401 4.384 4.423 . 0 0 "[ . 1 . 2]" 1 916 1 66 ILE HA 1 68 ASP H . . 4.370 3.727 3.533 4.118 . 0 0 "[ . 1 . 2]" 1 917 1 66 ILE HB 1 66 ILE MD . . 3.260 3.173 3.154 3.198 . 0 0 "[ . 1 . 2]" 1 918 1 66 ILE HB 1 67 GLY H . . 4.670 4.466 4.335 4.585 . 0 0 "[ . 1 . 2]" 1 919 1 66 ILE MD 1 67 GLY H . . 4.370 3.666 3.472 3.769 . 0 0 "[ . 1 . 2]" 1 920 1 66 ILE HG12 1 67 GLY H . . 4.960 4.870 4.775 5.039 0.079 18 0 "[ . 1 . 2]" 1 921 1 66 ILE MG 1 67 GLY H . . 3.830 2.843 2.581 3.159 . 0 0 "[ . 1 . 2]" 1 922 1 66 ILE MG 1 67 GLY HA2 . . 3.780 3.805 3.727 3.889 0.109 19 0 "[ . 1 . 2]" 1 923 1 66 ILE MG 1 67 GLY HA3 . . 3.710 3.541 3.238 3.689 . 0 0 "[ . 1 . 2]" 1 924 1 67 GLY H 1 68 ASP H . . 3.980 2.250 1.958 2.619 . 0 0 "[ . 1 . 2]" 1 925 1 68 ASP HA 1 69 ARG H . . 3.350 2.776 2.644 2.951 . 0 0 "[ . 1 . 2]" 1 926 1 68 ASP HA 1 103 ILE MD . . 4.370 4.231 3.873 4.408 0.038 19 0 "[ . 1 . 2]" 1 927 1 68 ASP HA 1 103 ILE MG . . 4.370 4.028 3.443 4.382 0.012 16 0 "[ . 1 . 2]" 1 928 1 68 ASP QB 1 69 ARG H . . 4.130 2.101 1.923 2.660 . 0 0 "[ . 1 . 2]" 1 929 1 68 ASP QB 1 70 VAL HB . . 4.760 3.969 3.400 4.513 . 0 0 "[ . 1 . 2]" 1 930 1 68 ASP QB 1 103 ILE MD . . 4.240 2.034 1.823 2.335 . 0 0 "[ . 1 . 2]" 1 931 1 68 ASP QB 1 103 ILE MG . . 3.530 2.773 2.477 3.216 . 0 0 "[ . 1 . 2]" 1 932 1 69 ARG H 1 69 ARG QB . . 3.890 3.020 2.385 3.247 . 0 0 "[ . 1 . 2]" 1 933 1 69 ARG H 1 69 ARG QD . . 4.370 2.069 1.837 2.590 . 0 0 "[ . 1 . 2]" 1 934 1 69 ARG H 1 69 ARG HE . . 4.960 4.731 3.768 5.000 0.040 10 0 "[ . 1 . 2]" 1 935 1 69 ARG H 1 69 ARG HG2 . . 4.370 2.620 1.939 4.529 0.159 10 0 "[ . 1 . 2]" 1 936 1 69 ARG H 1 69 ARG HG3 . . 4.280 3.610 3.348 4.132 . 0 0 "[ . 1 . 2]" 1 937 1 69 ARG H 1 69 ARG QH2 . . 4.850 5.434 4.086 5.739 0.889 9 15 "[** *- **+1***** ***2]" 1 938 1 69 ARG H 1 70 VAL H . . 4.960 3.501 2.913 4.009 . 0 0 "[ . 1 . 2]" 1 939 1 69 ARG H 1 70 VAL HB . . 4.990 4.880 4.610 5.023 0.033 16 0 "[ . 1 . 2]" 1 940 1 69 ARG H 1 103 ILE MG . . 4.240 2.354 1.714 2.725 . 0 0 "[ . 1 . 2]" 1 941 1 69 ARG H 1 104 GLU H . . 4.370 3.698 3.370 3.977 . 0 0 "[ . 1 . 2]" 1 942 1 69 ARG HA 1 69 ARG QD . . 4.370 3.293 2.853 3.401 . 0 0 "[ . 1 . 2]" 1 943 1 69 ARG HA 1 69 ARG HG2 . . 4.240 3.670 3.551 3.794 . 0 0 "[ . 1 . 2]" 1 944 1 69 ARG QB 1 69 ARG HE . . 4.240 3.666 2.202 3.846 . 0 0 "[ . 1 . 2]" 1 945 1 69 ARG QB 1 70 VAL H . . 4.760 3.890 3.691 4.046 . 0 0 "[ . 1 . 2]" 1 946 1 69 ARG QD 1 69 ARG QH2 . . 3.640 3.697 3.659 3.712 0.072 4 0 "[ . 1 . 2]" 1 947 1 69 ARG QD 1 103 ILE MG . . 3.900 3.202 1.911 3.717 . 0 0 "[ . 1 . 2]" 1 948 1 69 ARG HE 1 69 ARG HG2 . . 4.240 3.383 2.113 3.785 . 0 0 "[ . 1 . 2]" 1 949 1 69 ARG HE 1 69 ARG HG3 . . 4.040 2.941 2.791 3.713 . 0 0 "[ . 1 . 2]" 1 950 1 69 ARG HG2 1 103 ILE MG . . 3.970 2.866 2.261 4.028 0.058 14 0 "[ . 1 . 2]" 1 951 1 69 ARG HG3 1 103 ILE MG . . 4.050 3.952 3.586 4.238 0.188 10 0 "[ . 1 . 2]" 1 952 1 69 ARG QH2 1 103 ILE MD . . 3.900 6.242 4.464 6.440 2.540 20 20 [**-****************+] 1 953 1 70 VAL H 1 70 VAL HB . . 3.680 2.439 2.138 2.777 . 0 0 "[ . 1 . 2]" 1 954 1 70 VAL H 1 70 VAL QG . . 3.870 2.106 1.896 2.544 . 0 0 "[ . 1 . 2]" 1 955 1 70 VAL HA 1 70 VAL QG . . 3.130 2.191 2.015 2.346 . 0 0 "[ . 1 . 2]" 1 956 1 70 VAL HA 1 71 MET H . . 3.320 2.209 2.182 2.305 . 0 0 "[ . 1 . 2]" 1 957 1 70 VAL HA 1 72 ALA H . . 4.240 3.481 3.349 3.624 . 0 0 "[ . 1 . 2]" 1 958 1 70 VAL HA 1 103 ILE HA . . 3.900 2.500 2.145 2.842 . 0 0 "[ . 1 . 2]" 1 959 1 70 VAL HA 1 103 ILE MD . . 3.600 2.037 1.776 2.498 . 0 0 "[ . 1 . 2]" 1 960 1 70 VAL HA 1 103 ILE MG . . 3.900 3.739 3.425 3.909 0.009 2 0 "[ . 1 . 2]" 1 961 1 70 VAL HA 1 104 GLU H . . 4.960 4.483 3.997 4.968 0.008 17 0 "[ . 1 . 2]" 1 962 1 70 VAL HB 1 71 MET H . . 4.850 4.495 4.326 4.642 . 0 0 "[ . 1 . 2]" 1 963 1 70 VAL HB 1 103 ILE MD . . 3.780 2.530 1.920 3.805 0.025 19 0 "[ . 1 . 2]" 1 964 1 70 VAL QG 1 71 MET H . . 3.780 2.935 2.580 3.381 . 0 0 "[ . 1 . 2]" 1 965 1 70 VAL QG 1 72 ALA H . . 3.640 2.349 1.953 2.860 . 0 0 "[ . 1 . 2]" 1 966 1 70 VAL QG 1 73 ILE HA . . 4.370 3.300 2.850 3.674 . 0 0 "[ . 1 . 2]" 1 967 1 70 VAL QG 1 73 ILE HB . . 4.370 4.039 3.842 4.275 . 0 0 "[ . 1 . 2]" 1 968 1 70 VAL QG 1 73 ILE HG12 . . 3.300 2.228 1.842 2.877 . 0 0 "[ . 1 . 2]" 1 969 1 70 VAL QG 1 73 ILE HG13 . . 3.440 2.154 1.934 2.399 . 0 0 "[ . 1 . 2]" 1 970 1 70 VAL QG 1 78 THR MG . . 3.300 2.421 1.765 2.897 . 0 0 "[ . 1 . 2]" 1 971 1 70 VAL QG 1 101 LEU HA . . 4.140 3.026 2.674 3.593 . 0 0 "[ . 1 . 2]" 1 972 1 70 VAL QG 1 102 GLU H . . 4.140 2.663 2.285 3.324 . 0 0 "[ . 1 . 2]" 1 973 1 70 VAL QG 1 102 GLU QB . . 4.240 3.456 3.073 4.066 . 0 0 "[ . 1 . 2]" 1 974 1 71 MET H 1 71 MET ME . . 4.540 4.270 3.678 4.546 0.006 15 0 "[ . 1 . 2]" 1 975 1 71 MET H 1 71 MET QG . . 3.900 1.969 1.922 2.061 . 0 0 "[ . 1 . 2]" 1 976 1 71 MET H 1 72 ALA H . . 3.530 2.409 2.222 2.611 . 0 0 "[ . 1 . 2]" 1 977 1 71 MET H 1 72 ALA HA . . 5.090 5.004 4.837 5.153 0.063 17 0 "[ . 1 . 2]" 1 978 1 71 MET H 1 103 ILE HA . . 3.840 2.843 2.260 3.184 . 0 0 "[ . 1 . 2]" 1 979 1 71 MET H 1 103 ILE MG . . 5.090 4.558 3.793 5.053 . 0 0 "[ . 1 . 2]" 1 980 1 71 MET H 1 104 GLU H . . 4.760 4.513 3.993 4.783 0.023 18 0 "[ . 1 . 2]" 1 981 1 71 MET HA 1 71 MET ME . . 3.730 2.938 1.979 3.382 . 0 0 "[ . 1 . 2]" 1 982 1 71 MET HA 1 72 ALA HA . . 4.610 4.540 4.496 4.583 . 0 0 "[ . 1 . 2]" 1 983 1 71 MET HB2 1 71 MET ME . . 3.730 3.434 3.155 3.771 0.041 16 0 "[ . 1 . 2]" 1 984 1 71 MET HB2 1 72 ALA H . . 4.320 3.050 2.781 3.424 . 0 0 "[ . 1 . 2]" 1 985 1 71 MET HB2 1 72 ALA MB . . 4.140 3.321 3.108 3.409 . 0 0 "[ . 1 . 2]" 1 986 1 71 MET HB2 1 102 GLU HG2 . . 4.540 2.570 2.120 3.077 . 0 0 "[ . 1 . 2]" 1 987 1 71 MET HB2 1 102 GLU HG3 . . 4.540 4.080 2.873 4.502 . 0 0 "[ . 1 . 2]" 1 988 1 71 MET HB3 1 71 MET ME . . 3.260 2.205 1.943 2.777 . 0 0 "[ . 1 . 2]" 1 989 1 71 MET ME 1 71 MET QG . . 3.370 2.294 2.066 2.388 . 0 0 "[ . 1 . 2]" 1 990 1 71 MET QG 1 72 ALA H . . 4.130 3.882 3.700 3.991 . 0 0 "[ . 1 . 2]" 1 991 1 71 MET QG 1 104 GLU HB2 . . 4.140 2.394 1.969 3.166 . 0 0 "[ . 1 . 2]" 1 992 1 71 MET QG 1 104 GLU HB3 . . 4.050 2.581 1.923 3.194 . 0 0 "[ . 1 . 2]" 1 993 1 72 ALA H 1 72 ALA MB . . 3.570 2.739 2.581 2.878 . 0 0 "[ . 1 . 2]" 1 994 1 72 ALA H 1 73 ILE H . . 5.090 4.333 4.247 4.394 . 0 0 "[ . 1 . 2]" 1 995 1 72 ALA H 1 78 THR MG . . 4.540 3.531 2.870 4.267 . 0 0 "[ . 1 . 2]" 1 996 1 72 ALA H 1 102 GLU H . . 3.940 2.986 2.518 3.230 . 0 0 "[ . 1 . 2]" 1 997 1 72 ALA H 1 102 GLU QB . . 3.890 2.185 1.930 2.509 . 0 0 "[ . 1 . 2]" 1 998 1 72 ALA HA 1 73 ILE H . . 3.260 2.465 2.292 2.786 . 0 0 "[ . 1 . 2]" 1 999 1 72 ALA HA 1 76 ILE H . . 4.960 4.930 4.763 4.996 0.036 5 0 "[ . 1 . 2]" 1 1000 1 72 ALA HA 1 78 THR HA . . 4.760 4.432 4.185 4.761 0.001 5 0 "[ . 1 . 2]" 1 1001 1 72 ALA HA 1 78 THR HB . . 4.240 4.183 3.288 4.363 0.123 6 0 "[ . 1 . 2]" 1 1002 1 72 ALA HA 1 78 THR MG . . 3.390 2.059 1.753 2.779 . 0 0 "[ . 1 . 2]" 1 1003 1 72 ALA MB 1 73 ILE H . . 3.300 2.504 1.916 2.870 . 0 0 "[ . 1 . 2]" 1 1004 1 72 ALA MB 1 75 GLY H . . 3.900 2.693 2.035 2.951 . 0 0 "[ . 1 . 2]" 1 1005 1 72 ALA MB 1 75 GLY HA2 . . 4.240 3.036 2.898 3.186 . 0 0 "[ . 1 . 2]" 1 1006 1 72 ALA MB 1 75 GLY HA3 . . 4.140 4.198 3.952 4.310 0.170 17 0 "[ . 1 . 2]" 1 1007 1 72 ALA MB 1 76 ILE H . . 4.040 3.477 3.090 3.682 . 0 0 "[ . 1 . 2]" 1 1008 1 72 ALA MB 1 102 GLU H . . 3.680 3.515 2.780 3.703 0.023 7 0 "[ . 1 . 2]" 1 1009 1 72 ALA MB 1 102 GLU QB . . 2.920 2.044 1.879 2.229 . 0 0 "[ . 1 . 2]" 1 1010 1 73 ILE H 1 73 ILE HB . . 3.780 2.623 2.368 2.927 . 0 0 "[ . 1 . 2]" 1 1011 1 73 ILE H 1 73 ILE MD . . 4.600 4.236 3.965 4.561 . 0 0 "[ . 1 . 2]" 1 1012 1 73 ILE H 1 73 ILE HG13 . . 4.370 3.193 2.827 3.469 . 0 0 "[ . 1 . 2]" 1 1013 1 73 ILE H 1 73 ILE MG . . 4.140 3.767 3.560 3.904 . 0 0 "[ . 1 . 2]" 1 1014 1 73 ILE H 1 74 ASN H . . 4.370 3.530 1.900 4.143 . 0 0 "[ . 1 . 2]" 1 1015 1 73 ILE H 1 76 ILE H . . 4.100 3.035 2.317 3.987 . 0 0 "[ . 1 . 2]" 1 1016 1 73 ILE H 1 76 ILE HB . . 4.240 3.089 2.597 4.153 . 0 0 "[ . 1 . 2]" 1 1017 1 73 ILE H 1 78 THR MG . . 3.900 2.641 2.179 3.813 . 0 0 "[ . 1 . 2]" 1 1018 1 73 ILE H 1 89 LEU QD . . 4.670 3.593 3.238 3.888 . 0 0 "[ . 1 . 2]" 1 1019 1 73 ILE H 1 102 GLU H . . 4.670 4.690 4.662 4.740 0.070 14 0 "[ . 1 . 2]" 1 1020 1 73 ILE HA 1 73 ILE MD . . 4.240 3.763 3.705 3.832 . 0 0 "[ . 1 . 2]" 1 1021 1 73 ILE HA 1 73 ILE HG13 . . 4.240 2.934 2.508 3.192 . 0 0 "[ . 1 . 2]" 1 1022 1 73 ILE HA 1 73 ILE MG . . 3.280 2.510 2.419 2.658 . 0 0 "[ . 1 . 2]" 1 1023 1 73 ILE HA 1 74 ASN H . . 3.470 2.431 2.181 3.333 . 0 0 "[ . 1 . 2]" 1 1024 1 73 ILE HA 1 101 LEU HA . . 3.970 2.533 2.262 2.790 . 0 0 "[ . 1 . 2]" 1 1025 1 73 ILE HA 1 101 LEU QD . . 3.640 2.727 1.915 3.376 . 0 0 "[ . 1 . 2]" 1 1026 1 73 ILE HA 1 102 GLU H . . 4.530 3.159 2.935 3.680 . 0 0 "[ . 1 . 2]" 1 1027 1 73 ILE HB 1 73 ILE MD . . 3.390 2.338 2.155 2.429 . 0 0 "[ . 1 . 2]" 1 1028 1 73 ILE HB 1 78 THR MG . . 4.370 2.798 2.293 4.379 0.009 5 0 "[ . 1 . 2]" 1 1029 1 73 ILE HB 1 86 ALA HA . . 4.760 4.038 3.767 4.319 . 0 0 "[ . 1 . 2]" 1 1030 1 73 ILE HB 1 86 ALA MB . . 4.240 4.184 4.010 4.265 0.025 19 0 "[ . 1 . 2]" 1 1031 1 73 ILE HB 1 89 LEU HB2 . . 4.540 3.824 3.451 4.038 . 0 0 "[ . 1 . 2]" 1 1032 1 73 ILE HB 1 89 LEU HB3 . . 4.050 3.771 3.525 3.982 . 0 0 "[ . 1 . 2]" 1 1033 1 73 ILE HB 1 89 LEU QD . . 3.640 1.991 1.782 2.362 . 0 0 "[ . 1 . 2]" 1 1034 1 73 ILE MD 1 73 ILE MG . . 2.660 1.997 1.885 2.146 . 0 0 "[ . 1 . 2]" 1 1035 1 73 ILE MD 1 78 THR MG . . 3.160 2.319 1.938 3.154 . 0 0 "[ . 1 . 2]" 1 1036 1 73 ILE MD 1 86 ALA HA . . 3.730 2.600 2.188 2.962 . 0 0 "[ . 1 . 2]" 1 1037 1 73 ILE MD 1 89 LEU HB2 . . 3.970 2.979 2.760 3.136 . 0 0 "[ . 1 . 2]" 1 1038 1 73 ILE MD 1 89 LEU HB3 . . 3.780 3.904 3.682 3.982 0.202 11 0 "[ . 1 . 2]" 1 1039 1 73 ILE MD 1 89 LEU QD . . 3.730 2.465 2.215 2.831 . 0 0 "[ . 1 . 2]" 1 1040 1 73 ILE MD 1 89 LEU HG . . 3.900 3.741 3.365 3.920 0.020 19 0 "[ . 1 . 2]" 1 1041 1 73 ILE MD 1 90 LEU HG . . 4.050 3.739 3.292 4.071 0.021 2 0 "[ . 1 . 2]" 1 1042 1 73 ILE HG12 1 78 THR MG . . 3.900 3.398 3.153 3.866 . 0 0 "[ . 1 . 2]" 1 1043 1 73 ILE HG13 1 73 ILE MG . . 3.530 3.227 3.218 3.238 . 0 0 "[ . 1 . 2]" 1 1044 1 73 ILE HG13 1 78 THR MG . . 3.150 1.995 1.822 2.594 . 0 0 "[ . 1 . 2]" 1 1045 1 73 ILE MG 1 74 ASN H . . 3.840 3.324 2.914 3.854 0.014 6 0 "[ . 1 . 2]" 1 1046 1 73 ILE MG 1 74 ASN HB2 . . 4.760 3.005 2.427 4.469 . 0 0 "[ . 1 . 2]" 1 1047 1 73 ILE MG 1 74 ASN HB3 . . 4.240 3.921 3.190 4.360 0.120 2 0 "[ . 1 . 2]" 1 1048 1 73 ILE MG 1 74 ASN HD21 . . 4.140 3.064 2.449 3.420 . 0 0 "[ . 1 . 2]" 1 1049 1 73 ILE MG 1 74 ASN HD22 . . 4.540 4.093 2.560 4.554 0.014 8 0 "[ . 1 . 2]" 1 1050 1 73 ILE MG 1 86 ALA HA . . 4.540 3.643 3.311 3.962 . 0 0 "[ . 1 . 2]" 1 1051 1 73 ILE MG 1 86 ALA MB . . 4.370 3.933 3.671 4.119 . 0 0 "[ . 1 . 2]" 1 1052 1 73 ILE MG 1 89 LEU HA . . 4.370 4.170 3.999 4.310 . 0 0 "[ . 1 . 2]" 1 1053 1 73 ILE MG 1 89 LEU HB2 . . 3.730 2.146 1.945 2.381 . 0 0 "[ . 1 . 2]" 1 1054 1 73 ILE MG 1 89 LEU HB3 . . 3.390 2.069 1.965 2.197 . 0 0 "[ . 1 . 2]" 1 1055 1 73 ILE MG 1 89 LEU QD . . 3.180 2.140 1.915 2.404 . 0 0 "[ . 1 . 2]" 1 1056 1 73 ILE MG 1 89 LEU HG . . 4.140 3.635 3.370 3.898 . 0 0 "[ . 1 . 2]" 1 1057 1 73 ILE MG 1 90 LEU HA . . 4.370 4.154 3.654 4.398 0.028 13 0 "[ . 1 . 2]" 1 1058 1 73 ILE MG 1 101 LEU HA . . 4.540 3.835 3.351 4.467 . 0 0 "[ . 1 . 2]" 1 1059 1 74 ASN H 1 75 GLY H . . 4.070 2.394 1.900 2.626 . 0 0 "[ . 1 . 2]" 1 1060 1 74 ASN H 1 100 THR H . . 4.530 3.888 3.307 4.555 0.025 16 0 "[ . 1 . 2]" 1 1061 1 74 ASN H 1 100 THR HB . . 3.900 3.383 2.970 3.934 0.034 20 0 "[ . 1 . 2]" 1 1062 1 74 ASN H 1 101 LEU HA . . 5.440 3.552 2.869 4.797 . 0 0 "[ . 1 . 2]" 1 1063 1 74 ASN H 1 101 LEU QD . . 4.760 4.082 3.448 4.594 . 0 0 "[ . 1 . 2]" 1 1064 1 74 ASN HA 1 75 GLY H . . 3.650 3.104 2.825 3.282 . 0 0 "[ . 1 . 2]" 1 1065 1 74 ASN HA 1 100 THR H . . 4.370 3.080 2.248 3.962 . 0 0 "[ . 1 . 2]" 1 1066 1 74 ASN HA 1 100 THR HB . . 3.300 2.022 1.974 2.115 . 0 0 "[ . 1 . 2]" 1 1067 1 74 ASN HA 1 100 THR MG . . 3.730 2.990 2.024 3.771 0.041 6 0 "[ . 1 . 2]" 1 1068 1 74 ASN HB2 1 89 LEU QD . . 5.230 3.711 3.073 4.466 . 0 0 "[ . 1 . 2]" 1 1069 1 74 ASN HB3 1 89 LEU QD . . 4.370 4.174 3.780 4.880 0.510 2 1 "[ + . 1 . 2]" 1 1070 1 74 ASN HD21 1 89 LEU QD . . 5.240 4.132 2.783 4.850 . 0 0 "[ . 1 . 2]" 1 1071 1 74 ASN HD21 1 99 VAL QG . . 4.760 2.842 2.089 4.126 . 0 0 "[ . 1 . 2]" 1 1072 1 74 ASN HD22 1 99 VAL QG . . 4.370 3.343 2.058 4.670 0.300 16 0 "[ . 1 . 2]" 1 1073 1 75 GLY H 1 76 ILE H . . 3.870 2.578 2.210 3.175 . 0 0 "[ . 1 . 2]" 1 1074 1 75 GLY H 1 100 THR HB . . 4.960 4.512 3.106 4.967 0.007 7 0 "[ . 1 . 2]" 1 1075 1 76 ILE H 1 76 ILE HB . . 3.300 2.272 2.075 2.407 . 0 0 "[ . 1 . 2]" 1 1076 1 76 ILE H 1 76 ILE MD . . 3.850 3.548 1.814 3.899 0.049 6 0 "[ . 1 . 2]" 1 1077 1 76 ILE H 1 76 ILE HG12 . . 3.570 2.747 2.057 3.863 0.293 6 0 "[ . 1 . 2]" 1 1078 1 76 ILE H 1 76 ILE HG13 . . 3.780 3.292 2.317 3.832 0.052 5 0 "[ . 1 . 2]" 1 1079 1 76 ILE H 1 76 ILE MG . . 3.900 3.658 3.512 3.729 . 0 0 "[ . 1 . 2]" 1 1080 1 76 ILE HA 1 76 ILE MD . . 3.570 2.491 1.978 3.681 0.111 6 0 "[ . 1 . 2]" 1 1081 1 76 ILE HA 1 76 ILE HG12 . . 3.780 2.731 2.239 3.636 . 0 0 "[ . 1 . 2]" 1 1082 1 76 ILE HA 1 76 ILE HG13 . . 3.640 3.430 2.381 3.770 0.130 14 0 "[ . 1 . 2]" 1 1083 1 76 ILE HA 1 76 ILE MG . . 3.210 2.530 2.394 2.704 . 0 0 "[ . 1 . 2]" 1 1084 1 76 ILE HA 1 77 PRO HD2 . . 3.060 2.436 2.322 2.530 . 0 0 "[ . 1 . 2]" 1 1085 1 76 ILE HA 1 77 PRO HD3 . . 3.150 1.915 1.909 1.929 . 0 0 "[ . 1 . 2]" 1 1086 1 76 ILE HA 1 77 PRO HG3 . . 4.370 4.182 4.176 4.194 . 0 0 "[ . 1 . 2]" 1 1087 1 76 ILE HB 1 76 ILE MD . . 3.260 2.950 2.253 3.206 . 0 0 "[ . 1 . 2]" 1 1088 1 76 ILE MD 1 77 PRO HD2 . . 4.540 3.034 2.016 4.550 0.010 8 0 "[ . 1 . 2]" 1 1089 1 76 ILE MD 1 77 PRO HD3 . . 4.540 3.412 2.596 4.610 0.070 6 0 "[ . 1 . 2]" 1 1090 1 76 ILE HG13 1 76 ILE MG . . 3.320 2.658 2.317 3.221 . 0 0 "[ . 1 . 2]" 1 1091 1 76 ILE HG13 1 77 PRO HD2 . . 4.760 4.726 3.497 5.105 0.345 14 0 "[ . 1 . 2]" 1 1092 1 76 ILE MG 1 77 PRO HD2 . . 3.640 1.951 1.810 2.310 . 0 0 "[ . 1 . 2]" 1 1093 1 76 ILE MG 1 77 PRO HD3 . . 3.350 3.106 2.918 3.397 0.047 5 0 "[ . 1 . 2]" 1 1094 1 76 ILE MG 1 77 PRO HG2 . . 4.370 3.698 3.491 4.008 . 0 0 "[ . 1 . 2]" 1 1095 1 76 ILE MG 1 77 PRO HG3 . . 4.710 4.398 4.172 4.708 . 0 0 "[ . 1 . 2]" 1 1096 1 78 THR HA 1 78 THR MG . . 3.090 2.427 2.190 3.227 0.137 5 0 "[ . 1 . 2]" 1 1097 1 79 GLU H 1 80 ASP HB2 . . 4.370 3.780 3.346 4.205 . 0 0 "[ . 1 . 2]" 1 1098 1 79 GLU H 1 80 ASP HB3 . . 3.840 4.007 3.452 4.447 0.607 17 6 "[ *. * 1-* . + *]" 1 1099 1 79 GLU HA 1 79 GLU QG . . 3.730 2.349 1.982 3.336 . 0 0 "[ . 1 . 2]" 1 1100 1 81 SER HB2 1 82 THR MG . . 4.240 4.044 3.452 4.481 0.241 9 0 "[ . 1 . 2]" 1 1101 1 81 SER HB2 1 85 GLU H . . 4.050 4.217 3.819 4.945 0.895 19 2 "[ . 1 - +2]" 1 1102 1 81 SER HB2 1 85 GLU HB2 . . 3.600 2.414 1.999 2.989 . 0 0 "[ . 1 . 2]" 1 1103 1 81 SER HB2 1 85 GLU HB3 . . 3.370 2.638 2.133 3.286 . 0 0 "[ . 1 . 2]" 1 1104 1 81 SER HB2 1 85 GLU QG . . 3.500 3.009 2.033 3.878 0.378 12 0 "[ . 1 . 2]" 1 1105 1 81 SER HB3 1 82 THR HG1 . . 4.760 4.153 3.457 4.720 . 0 0 "[ . 1 . 2]" 1 1106 1 81 SER HB3 1 82 THR MG . . 4.370 3.867 3.407 4.249 . 0 0 "[ . 1 . 2]" 1 1107 1 81 SER HB3 1 85 GLU HB2 . . 4.240 2.818 1.988 3.960 . 0 0 "[ . 1 . 2]" 1 1108 1 81 SER HB3 1 85 GLU HB3 . . 4.240 3.178 2.269 4.054 . 0 0 "[ . 1 . 2]" 1 1109 1 82 THR HA 1 82 THR MG . . 2.750 2.625 2.427 2.758 0.008 9 0 "[ . 1 . 2]" 1 1110 1 82 THR HA 1 84 GLU H . . 4.200 4.042 3.834 4.201 0.001 15 0 "[ . 1 . 2]" 1 1111 1 82 THR HA 1 85 GLU H . . 4.600 4.505 4.415 4.633 0.033 9 0 "[ . 1 . 2]" 1 1112 1 82 THR HG1 1 82 THR MG . . 3.440 2.148 2.004 3.012 . 0 0 "[ . 1 . 2]" 1 1113 1 82 THR HG1 1 85 GLU HB2 . . 4.540 2.658 2.307 4.178 . 0 0 "[ . 1 . 2]" 1 1114 1 82 THR HG1 1 85 GLU HB3 . . 4.540 4.184 2.472 4.595 0.055 9 0 "[ . 1 . 2]" 1 1115 1 82 THR HG1 1 85 GLU QG . . 4.540 3.318 2.119 4.007 . 0 0 "[ . 1 . 2]" 1 1116 1 82 THR MG 1 84 GLU HB2 . . 5.100 4.202 3.899 4.440 . 0 0 "[ . 1 . 2]" 1 1117 1 82 THR MG 1 85 GLU H . . 4.470 4.061 3.754 4.395 . 0 0 "[ . 1 . 2]" 1 1118 1 82 THR MG 1 85 GLU HB2 . . 4.370 3.865 3.582 5.162 0.792 13 1 "[ . 1 + . 2]" 1 1119 1 82 THR MG 1 85 GLU QG . . 4.370 3.863 2.780 4.420 0.050 13 0 "[ . 1 . 2]" 1 1120 1 83 PHE H 1 83 PHE HB2 . . 4.140 2.604 2.104 2.818 . 0 0 "[ . 1 . 2]" 1 1121 1 83 PHE H 1 84 GLU H . . 4.530 2.839 2.709 3.023 . 0 0 "[ . 1 . 2]" 1 1122 1 83 PHE HA 1 83 PHE QD . . 3.410 3.247 2.877 3.443 0.033 13 0 "[ . 1 . 2]" 1 1123 1 83 PHE HA 1 86 ALA H . . 4.370 3.802 3.216 4.183 . 0 0 "[ . 1 . 2]" 1 1124 1 83 PHE HA 1 86 ALA MB . . 3.680 3.239 2.370 3.678 . 0 0 "[ . 1 . 2]" 1 1125 1 83 PHE HA 1 87 ASN H . . 5.090 4.530 3.785 4.997 . 0 0 "[ . 1 . 2]" 1 1126 1 83 PHE HB2 1 84 GLU H . . 4.240 4.170 3.699 4.319 0.079 13 0 "[ . 1 . 2]" 1 1127 1 83 PHE HB3 1 84 GLU H . . 3.970 2.932 2.530 3.179 . 0 0 "[ . 1 . 2]" 1 1128 1 83 PHE QD 1 84 GLU H . . 4.030 2.965 2.577 3.708 . 0 0 "[ . 1 . 2]" 1 1129 1 83 PHE QD 1 84 GLU HA . . 4.030 2.801 2.408 3.692 . 0 0 "[ . 1 . 2]" 1 1130 1 83 PHE QD 1 84 GLU HG2 . . 3.770 3.200 1.990 4.542 0.772 9 1 "[ . +1 . 2]" 1 1131 1 84 GLU H 1 84 GLU HB2 . . 3.420 2.210 2.053 2.447 . 0 0 "[ . 1 . 2]" 1 1132 1 84 GLU H 1 84 GLU HG2 . . 4.600 3.485 2.498 4.212 . 0 0 "[ . 1 . 2]" 1 1133 1 84 GLU H 1 84 GLU HG3 . . 4.240 3.116 2.297 3.880 . 0 0 "[ . 1 . 2]" 1 1134 1 84 GLU H 1 85 GLU H . . 3.850 2.615 2.455 2.808 . 0 0 "[ . 1 . 2]" 1 1135 1 84 GLU HA 1 84 GLU HG2 . . 3.250 2.445 2.000 3.270 0.020 9 0 "[ . 1 . 2]" 1 1136 1 84 GLU HA 1 84 GLU HG3 . . 3.970 3.007 2.022 3.671 . 0 0 "[ . 1 . 2]" 1 1137 1 84 GLU HA 1 87 ASN H . . 4.240 3.545 3.136 3.986 . 0 0 "[ . 1 . 2]" 1 1138 1 84 GLU HA 1 87 ASN HB2 . . 4.140 2.924 2.426 3.738 . 0 0 "[ . 1 . 2]" 1 1139 1 84 GLU HA 1 87 ASN HB3 . . 3.840 3.187 2.533 4.177 0.337 19 0 "[ . 1 . 2]" 1 1140 1 84 GLU HA 1 87 ASN HD21 . . 4.960 4.258 2.207 4.697 . 0 0 "[ . 1 . 2]" 1 1141 1 84 GLU HA 1 88 GLN H . . 4.370 4.181 3.821 4.382 0.012 13 0 "[ . 1 . 2]" 1 1142 1 84 GLU HA 1 88 GLN HE21 . . 4.140 4.277 3.789 5.083 0.943 13 3 "[ . 1* + . - 2]" 1 1143 1 84 GLU HB2 1 85 GLU H . . 3.690 2.885 2.394 3.640 . 0 0 "[ . 1 . 2]" 1 1144 1 84 GLU HB3 1 85 GLU H . . 4.050 3.469 3.082 3.685 . 0 0 "[ . 1 . 2]" 1 1145 1 85 GLU H 1 85 GLU HB2 . . 3.490 2.145 2.018 3.542 0.052 13 0 "[ . 1 . 2]" 1 1146 1 85 GLU H 1 85 GLU HB3 . . 3.770 3.193 2.404 3.528 . 0 0 "[ . 1 . 2]" 1 1147 1 85 GLU H 1 85 GLU QG . . 3.500 3.277 2.276 3.505 0.005 11 0 "[ . 1 . 2]" 1 1148 1 85 GLU H 1 86 ALA H . . 3.610 3.031 2.599 3.337 . 0 0 "[ . 1 . 2]" 1 1149 1 85 GLU H 1 86 ALA MB . . 4.760 4.423 4.064 4.702 . 0 0 "[ . 1 . 2]" 1 1150 1 85 GLU H 1 87 ASN H . . 5.240 4.336 4.028 4.662 . 0 0 "[ . 1 . 2]" 1 1151 1 85 GLU HA 1 85 GLU QG . . 3.250 2.168 1.939 3.411 0.161 13 0 "[ . 1 . 2]" 1 1152 1 85 GLU HA 1 88 GLN H . . 3.900 3.328 3.080 3.621 . 0 0 "[ . 1 . 2]" 1 1153 1 85 GLU HA 1 88 GLN HB2 . . 3.970 2.464 2.152 2.783 . 0 0 "[ . 1 . 2]" 1 1154 1 85 GLU HA 1 88 GLN HB3 . . 3.780 3.511 3.172 3.977 0.197 13 0 "[ . 1 . 2]" 1 1155 1 85 GLU HA 1 88 GLN QG . . 4.240 4.080 2.955 4.254 0.014 13 0 "[ . 1 . 2]" 1 1156 1 85 GLU HA 1 89 LEU H . . 4.540 4.146 3.702 4.561 0.021 13 0 "[ . 1 . 2]" 1 1157 1 85 GLU HB2 1 86 ALA H . . 3.870 3.017 2.403 3.984 0.114 13 0 "[ . 1 . 2]" 1 1158 1 85 GLU HB3 1 86 ALA H . . 4.140 2.513 2.150 3.959 . 0 0 "[ . 1 . 2]" 1 1159 1 85 GLU HB3 1 86 ALA MB . . 4.760 3.948 3.584 5.191 0.431 13 0 "[ . 1 . 2]" 1 1160 1 85 GLU HB3 1 89 LEU QD . . 4.760 3.477 2.493 4.954 0.194 13 0 "[ . 1 . 2]" 1 1161 1 85 GLU QG 1 86 ALA H . . 4.540 4.156 1.863 4.447 . 0 0 "[ . 1 . 2]" 1 1162 1 86 ALA H 1 86 ALA MB . . 3.110 2.001 1.938 2.160 . 0 0 "[ . 1 . 2]" 1 1163 1 86 ALA H 1 87 ASN H . . 3.760 2.979 2.594 3.120 . 0 0 "[ . 1 . 2]" 1 1164 1 86 ALA H 1 89 LEU QD . . 4.850 4.004 3.737 4.459 . 0 0 "[ . 1 . 2]" 1 1165 1 86 ALA HA 1 89 LEU H . . 4.140 3.249 2.919 3.522 . 0 0 "[ . 1 . 2]" 1 1166 1 86 ALA HA 1 89 LEU HB2 . . 4.240 2.864 2.485 3.088 . 0 0 "[ . 1 . 2]" 1 1167 1 86 ALA HA 1 89 LEU HB3 . . 4.240 4.166 4.026 4.259 0.019 16 0 "[ . 1 . 2]" 1 1168 1 86 ALA HA 1 89 LEU QD . . 3.500 2.382 2.084 2.753 . 0 0 "[ . 1 . 2]" 1 1169 1 86 ALA HA 1 89 LEU HG . . 4.050 2.049 1.980 2.440 . 0 0 "[ . 1 . 2]" 1 1170 1 86 ALA MB 1 87 ASN H . . 3.500 2.475 2.286 2.723 . 0 0 "[ . 1 . 2]" 1 1171 1 86 ALA MB 1 87 ASN HA . . 4.140 3.645 3.562 3.795 . 0 0 "[ . 1 . 2]" 1 1172 1 86 ALA MB 1 88 GLN H . . 5.090 4.431 4.055 4.803 . 0 0 "[ . 1 . 2]" 1 1173 1 86 ALA MB 1 89 LEU QD . . 3.640 3.316 2.940 3.558 . 0 0 "[ . 1 . 2]" 1 1174 1 87 ASN H 1 87 ASN HB2 . . 3.530 2.180 2.054 2.770 . 0 0 "[ . 1 . 2]" 1 1175 1 87 ASN H 1 87 ASN HB3 . . 3.600 2.928 2.675 3.545 . 0 0 "[ . 1 . 2]" 1 1176 1 87 ASN H 1 88 GLN H . . 3.350 2.794 2.569 2.918 . 0 0 "[ . 1 . 2]" 1 1177 1 87 ASN HA 1 87 ASN HD21 . . 4.540 3.528 2.830 4.534 . 0 0 "[ . 1 . 2]" 1 1178 1 87 ASN HA 1 89 LEU H . . 4.540 4.443 4.099 4.552 0.012 15 0 "[ . 1 . 2]" 1 1179 1 87 ASN HA 1 90 LEU H . . 4.540 3.690 3.540 3.878 . 0 0 "[ . 1 . 2]" 1 1180 1 87 ASN HA 1 90 LEU QB . . 3.640 3.346 3.041 3.614 . 0 0 "[ . 1 . 2]" 1 1181 1 87 ASN HA 1 90 LEU QD . . 3.900 3.368 2.944 3.734 . 0 0 "[ . 1 . 2]" 1 1182 1 87 ASN HA 1 90 LEU HG . . 4.140 3.571 2.968 4.034 . 0 0 "[ . 1 . 2]" 1 1183 1 87 ASN HB2 1 88 GLN H . . 3.850 3.491 2.560 3.838 . 0 0 "[ . 1 . 2]" 1 1184 1 87 ASN HB3 1 88 GLN H . . 3.710 2.653 2.249 3.819 0.109 19 0 "[ . 1 . 2]" 1 1185 1 88 GLN H 1 88 GLN HB2 . . 3.350 2.066 2.020 2.332 . 0 0 "[ . 1 . 2]" 1 1186 1 88 GLN H 1 88 GLN HB3 . . 3.420 3.218 2.967 3.528 0.108 16 0 "[ . 1 . 2]" 1 1187 1 88 GLN H 1 88 GLN QG . . 4.120 3.750 2.381 4.048 . 0 0 "[ . 1 . 2]" 1 1188 1 88 GLN H 1 89 LEU H . . 3.770 2.664 2.271 2.941 . 0 0 "[ . 1 . 2]" 1 1189 1 88 GLN HA 1 88 GLN QG . . 3.440 2.366 1.994 2.885 . 0 0 "[ . 1 . 2]" 1 1190 1 88 GLN HA 1 91 ARG H . . 4.530 3.232 2.859 3.594 . 0 0 "[ . 1 . 2]" 1 1191 1 88 GLN HA 1 91 ARG QB . . 3.350 2.535 2.006 3.397 0.047 2 0 "[ . 1 . 2]" 1 1192 1 88 GLN HA 1 91 ARG QD . . 4.370 3.813 1.994 4.371 0.001 3 0 "[ . 1 . 2]" 1 1193 1 88 GLN HA 1 91 ARG HG2 . . 4.140 4.143 1.973 4.543 0.403 1 0 "[ . 1 . 2]" 1 1194 1 88 GLN HA 1 91 ARG HG3 . . 4.540 3.023 2.594 3.736 . 0 0 "[ . 1 . 2]" 1 1195 1 88 GLN HB2 1 89 LEU H . . 4.240 3.229 2.981 3.491 . 0 0 "[ . 1 . 2]" 1 1196 1 88 GLN HB2 1 89 LEU QD . . 4.240 3.792 2.980 4.439 0.199 18 0 "[ . 1 . 2]" 1 1197 1 88 GLN HB3 1 89 LEU H . . 4.140 3.026 2.746 3.813 . 0 0 "[ . 1 . 2]" 1 1198 1 88 GLN QG 1 89 LEU H . . 4.960 4.490 4.321 4.585 . 0 0 "[ . 1 . 2]" 1 1199 1 88 GLN QG 1 89 LEU QD . . 4.540 4.440 4.261 4.478 . 0 0 "[ . 1 . 2]" 1 1200 1 89 LEU H 1 89 LEU HB2 . . 3.570 2.561 2.357 2.696 . 0 0 "[ . 1 . 2]" 1 1201 1 89 LEU H 1 89 LEU HB3 . . 3.970 3.535 3.521 3.546 . 0 0 "[ . 1 . 2]" 1 1202 1 89 LEU H 1 89 LEU QD . . 3.970 2.447 2.199 2.862 . 0 0 "[ . 1 . 2]" 1 1203 1 89 LEU H 1 89 LEU HG . . 3.500 2.197 2.018 2.429 . 0 0 "[ . 1 . 2]" 1 1204 1 89 LEU H 1 90 LEU H . . 4.100 2.877 2.665 3.100 . 0 0 "[ . 1 . 2]" 1 1205 1 89 LEU HA 1 89 LEU QD . . 3.080 2.013 1.902 2.128 . 0 0 "[ . 1 . 2]" 1 1206 1 89 LEU HA 1 89 LEU HG . . 3.970 3.382 3.241 3.462 . 0 0 "[ . 1 . 2]" 1 1207 1 89 LEU HA 1 92 ASP HB2 . . 4.240 3.256 2.694 3.931 . 0 0 "[ . 1 . 2]" 1 1208 1 89 LEU HA 1 92 ASP HB3 . . 4.140 3.132 2.503 3.918 . 0 0 "[ . 1 . 2]" 1 1209 1 89 LEU HA 1 93 SER H . . 4.140 3.962 3.632 4.166 0.026 2 0 "[ . 1 . 2]" 1 1210 1 89 LEU HB2 1 90 LEU H . . 4.240 2.716 2.307 3.328 . 0 0 "[ . 1 . 2]" 1 1211 1 89 LEU HB3 1 89 LEU QD . . 3.210 2.075 1.965 2.150 . 0 0 "[ . 1 . 2]" 1 1212 1 89 LEU HB3 1 90 LEU H . . 4.370 3.782 3.456 4.161 . 0 0 "[ . 1 . 2]" 1 1213 1 89 LEU HB3 1 90 LEU QD . . 4.370 3.966 3.376 4.343 . 0 0 "[ . 1 . 2]" 1 1214 1 89 LEU QD 1 92 ASP HB2 . . 4.540 4.092 3.571 4.504 . 0 0 "[ . 1 . 2]" 1 1215 1 90 LEU H 1 90 LEU QB . . 3.370 2.275 2.155 2.486 . 0 0 "[ . 1 . 2]" 1 1216 1 90 LEU H 1 90 LEU QD . . 4.140 2.970 1.839 3.348 . 0 0 "[ . 1 . 2]" 1 1217 1 90 LEU H 1 90 LEU HG . . 3.730 2.642 2.193 3.970 0.240 19 0 "[ . 1 . 2]" 1 1218 1 90 LEU H 1 91 ARG H . . 4.010 2.773 2.475 3.124 . 0 0 "[ . 1 . 2]" 1 1219 1 90 LEU HA 1 90 LEU QD . . 3.260 1.920 1.883 2.006 . 0 0 "[ . 1 . 2]" 1 1220 1 90 LEU HA 1 90 LEU HG . . 4.050 3.203 3.032 3.659 . 0 0 "[ . 1 . 2]" 1 1221 1 90 LEU HA 1 93 SER H . . 4.600 3.218 2.951 3.553 . 0 0 "[ . 1 . 2]" 1 1222 1 90 LEU HA 1 93 SER QB . . 3.730 2.384 1.980 2.817 . 0 0 "[ . 1 . 2]" 1 1223 1 90 LEU QB 1 91 ARG H . . 3.680 2.409 2.194 2.736 . 0 0 "[ . 1 . 2]" 1 1224 1 90 LEU QD 1 99 VAL HB . . 4.050 3.129 2.911 3.539 . 0 0 "[ . 1 . 2]" 1 1225 1 90 LEU QD 1 99 VAL QG . . 3.730 1.832 1.652 2.183 . 0 0 "[ . 1 . 2]" 1 1226 1 91 ARG H 1 91 ARG QB . . 3.280 2.377 2.234 2.607 . 0 0 "[ . 1 . 2]" 1 1227 1 91 ARG H 1 91 ARG QD . . 4.760 4.136 2.974 4.467 . 0 0 "[ . 1 . 2]" 1 1228 1 91 ARG H 1 91 ARG HG2 . . 3.770 2.857 2.432 3.720 . 0 0 "[ . 1 . 2]" 1 1229 1 91 ARG H 1 91 ARG HG3 . . 4.240 2.692 1.993 3.161 . 0 0 "[ . 1 . 2]" 1 1230 1 91 ARG H 1 92 ASP H . . 4.160 2.871 2.611 3.179 . 0 0 "[ . 1 . 2]" 1 1231 1 91 ARG HA 1 91 ARG QD . . 4.050 3.624 3.125 4.171 0.121 2 0 "[ . 1 . 2]" 1 1232 1 91 ARG HA 1 91 ARG HG2 . . 3.780 2.476 2.095 4.171 0.391 13 0 "[ . 1 . 2]" 1 1233 1 91 ARG HA 1 91 ARG HG3 . . 3.900 3.365 2.499 3.610 . 0 0 "[ . 1 . 2]" 1 1234 1 91 ARG HA 1 94 SER H . . 4.760 3.725 3.388 3.983 . 0 0 "[ . 1 . 2]" 1 1235 1 91 ARG HA 1 94 SER QB . . 4.240 3.085 2.581 3.760 . 0 0 "[ . 1 . 2]" 1 1236 1 91 ARG QB 1 91 ARG QD . . 3.260 2.043 1.946 2.185 . 0 0 "[ . 1 . 2]" 1 1237 1 91 ARG QB 1 92 ASP H . . 3.970 2.804 2.225 3.732 . 0 0 "[ . 1 . 2]" 1 1238 1 92 ASP H 1 92 ASP HB2 . . 4.140 2.348 2.003 2.953 . 0 0 "[ . 1 . 2]" 1 1239 1 92 ASP H 1 92 ASP HB3 . . 3.970 2.720 2.211 3.313 . 0 0 "[ . 1 . 2]" 1 1240 1 92 ASP H 1 93 SER H . . 4.130 2.540 2.270 2.894 . 0 0 "[ . 1 . 2]" 1 1241 1 92 ASP HA 1 95 ILE MD . . 4.540 2.434 1.922 2.963 . 0 0 "[ . 1 . 2]" 1 1242 1 92 ASP HB2 1 93 SER H . . 4.370 3.474 2.759 3.935 . 0 0 "[ . 1 . 2]" 1 1243 1 92 ASP HB2 1 95 ILE MD . . 4.540 4.084 3.590 4.478 . 0 0 "[ . 1 . 2]" 1 1244 1 92 ASP HB3 1 93 SER H . . 4.240 2.479 2.047 3.142 . 0 0 "[ . 1 . 2]" 1 1245 1 93 SER H 1 93 SER QB . . 3.440 2.366 2.010 2.684 . 0 0 "[ . 1 . 2]" 1 1246 1 93 SER H 1 94 SER H . . 3.660 2.829 2.336 2.970 . 0 0 "[ . 1 . 2]" 1 1247 1 93 SER HA 1 95 ILE H . . 4.760 3.647 3.357 4.000 . 0 0 "[ . 1 . 2]" 1 1248 1 93 SER QB 1 99 VAL HB . . 3.900 2.061 1.857 2.304 . 0 0 "[ . 1 . 2]" 1 1249 1 93 SER QB 1 99 VAL QG . . 4.050 2.502 2.163 3.021 . 0 0 "[ . 1 . 2]" 1 1250 1 94 SER H 1 94 SER QB . . 3.300 2.184 2.026 2.576 . 0 0 "[ . 1 . 2]" 1 1251 1 94 SER H 1 95 ILE H . . 3.690 2.793 2.427 2.925 . 0 0 "[ . 1 . 2]" 1 1252 1 94 SER HA 1 97 SER H . . 3.830 3.199 3.122 3.285 . 0 0 "[ . 1 . 2]" 1 1253 1 94 SER QB 1 95 ILE H . . 4.140 3.078 2.628 3.677 . 0 0 "[ . 1 . 2]" 1 1254 1 95 ILE H 1 95 ILE HB . . 3.300 2.216 2.139 2.312 . 0 0 "[ . 1 . 2]" 1 1255 1 95 ILE H 1 95 ILE MD . . 4.370 3.122 1.895 3.671 . 0 0 "[ . 1 . 2]" 1 1256 1 95 ILE H 1 95 ILE HG12 . . 3.640 3.853 3.764 3.905 0.265 19 0 "[ . 1 . 2]" 1 1257 1 95 ILE H 1 95 ILE HG13 . . 3.890 2.595 2.389 3.638 . 0 0 "[ . 1 . 2]" 1 1258 1 95 ILE H 1 95 ILE MG . . 3.840 3.637 3.581 3.683 . 0 0 "[ . 1 . 2]" 1 1259 1 95 ILE H 1 96 THR H . . 3.620 3.054 2.787 3.261 . 0 0 "[ . 1 . 2]" 1 1260 1 95 ILE H 1 97 SER H . . 4.760 3.535 3.429 3.639 . 0 0 "[ . 1 . 2]" 1 1261 1 95 ILE HA 1 95 ILE MD . . 3.840 3.689 2.573 3.791 . 0 0 "[ . 1 . 2]" 1 1262 1 95 ILE HA 1 95 ILE HG12 . . 3.900 2.727 2.417 3.543 . 0 0 "[ . 1 . 2]" 1 1263 1 95 ILE HA 1 95 ILE HG13 . . 3.570 2.453 2.156 2.658 . 0 0 "[ . 1 . 2]" 1 1264 1 95 ILE HA 1 95 ILE MG . . 3.230 2.578 2.527 2.635 . 0 0 "[ . 1 . 2]" 1 1265 1 95 ILE HA 1 97 SER H . . 4.370 3.834 3.731 3.944 . 0 0 "[ . 1 . 2]" 1 1266 1 95 ILE HB 1 95 ILE MD . . 3.530 2.135 1.927 2.303 . 0 0 "[ . 1 . 2]" 1 1267 1 95 ILE HB 1 96 THR H . . 3.780 2.401 2.279 2.547 . 0 0 "[ . 1 . 2]" 1 1268 1 95 ILE HB 1 96 THR HB . . 4.760 4.264 4.189 4.358 . 0 0 "[ . 1 . 2]" 1 1269 1 95 ILE HB 1 96 THR MG . . 4.370 3.866 3.742 4.032 . 0 0 "[ . 1 . 2]" 1 1270 1 95 ILE HG12 1 95 ILE MG . . 3.530 2.308 2.039 2.473 . 0 0 "[ . 1 . 2]" 1 1271 1 95 ILE HG13 1 95 ILE MG . . 3.130 3.157 2.584 3.234 0.104 5 0 "[ . 1 . 2]" 1 1272 1 95 ILE MG 1 96 THR H . . 4.140 2.430 2.259 2.584 . 0 0 "[ . 1 . 2]" 1 1273 1 95 ILE MG 1 96 THR HA . . 4.540 3.123 3.026 3.183 . 0 0 "[ . 1 . 2]" 1 1274 1 95 ILE MG 1 96 THR HB . . 4.240 3.010 2.831 3.158 . 0 0 "[ . 1 . 2]" 1 1275 1 95 ILE MG 1 96 THR MG . . 3.780 3.754 3.667 3.791 0.011 17 0 "[ . 1 . 2]" 1 1276 1 96 THR H 1 96 THR HB . . 3.910 2.468 2.380 2.523 . 0 0 "[ . 1 . 2]" 1 1277 1 96 THR H 1 96 THR MG . . 3.640 2.034 1.935 2.234 . 0 0 "[ . 1 . 2]" 1 1278 1 96 THR H 1 97 SER H . . 3.810 2.625 2.554 2.673 . 0 0 "[ . 1 . 2]" 1 1279 1 96 THR HA 1 96 THR MG . . 3.500 3.240 3.230 3.245 . 0 0 "[ . 1 . 2]" 1 1280 1 96 THR HA 1 98 LYS H . . 4.600 4.510 4.360 4.631 0.031 8 0 "[ . 1 . 2]" 1 1281 1 96 THR HB 1 97 SER H . . 4.370 4.344 4.264 4.399 0.029 19 0 "[ . 1 . 2]" 1 1282 1 96 THR MG 1 97 SER H . . 4.540 2.815 2.601 3.046 . 0 0 "[ . 1 . 2]" 1 1283 1 96 THR MG 1 97 SER HA . . 4.760 4.107 3.994 4.190 . 0 0 "[ . 1 . 2]" 1 1284 1 96 THR MG 1 98 LYS H . . 4.140 1.902 1.861 1.961 . 0 0 "[ . 1 . 2]" 1 1285 1 96 THR MG 1 98 LYS QB . . 4.240 2.379 2.158 3.054 . 0 0 "[ . 1 . 2]" 1 1286 1 96 THR MG 1 98 LYS QD . . 4.540 4.205 2.526 4.522 . 0 0 "[ . 1 . 2]" 1 1287 1 97 SER H 1 97 SER HB2 . . 4.140 3.277 3.213 3.373 . 0 0 "[ . 1 . 2]" 1 1288 1 97 SER H 1 97 SER HB3 . . 4.140 4.075 4.025 4.104 . 0 0 "[ . 1 . 2]" 1 1289 1 97 SER H 1 98 LYS H . . 3.810 2.577 2.391 2.803 . 0 0 "[ . 1 . 2]" 1 1290 1 97 SER HB2 1 98 LYS H . . 4.370 4.254 4.160 4.349 . 0 0 "[ . 1 . 2]" 1 1291 1 97 SER HB3 1 98 LYS H . . 4.370 4.293 4.127 4.399 0.029 17 0 "[ . 1 . 2]" 1 1292 1 98 LYS H 1 98 LYS QB . . 3.640 2.786 2.684 3.106 . 0 0 "[ . 1 . 2]" 1 1293 1 98 LYS H 1 98 LYS QG . . 4.470 4.118 2.909 4.273 . 0 0 "[ . 1 . 2]" 1 1294 1 98 LYS H 1 99 VAL H . . 5.090 4.257 4.014 4.391 . 0 0 "[ . 1 . 2]" 1 1295 1 98 LYS HA 1 98 LYS QD . . 4.760 3.670 2.702 4.317 . 0 0 "[ . 1 . 2]" 1 1296 1 98 LYS HA 1 98 LYS QG . . 3.780 2.115 1.959 3.245 . 0 0 "[ . 1 . 2]" 1 1297 1 98 LYS HA 1 99 VAL H . . 2.990 2.264 2.180 2.378 . 0 0 "[ . 1 . 2]" 1 1298 1 98 LYS HA 1 99 VAL QG . . 4.760 3.631 3.445 3.822 . 0 0 "[ . 1 . 2]" 1 1299 1 98 LYS QB 1 98 LYS QD . . 3.390 2.033 1.943 2.086 . 0 0 "[ . 1 . 2]" 1 1300 1 98 LYS QB 1 98 LYS QE . . 3.840 3.235 2.523 3.540 . 0 0 "[ . 1 . 2]" 1 1301 1 98 LYS QB 1 99 VAL H . . 3.780 3.486 2.868 3.781 0.001 15 0 "[ . 1 . 2]" 1 1302 1 98 LYS QE 1 98 LYS QG . . 3.280 2.060 1.948 2.228 . 0 0 "[ . 1 . 2]" 1 1303 1 98 LYS QG 1 99 VAL H . . 3.910 2.707 2.152 3.148 . 0 0 "[ . 1 . 2]" 1 1304 1 99 VAL H 1 99 VAL QG . . 3.840 2.192 1.888 2.482 . 0 0 "[ . 1 . 2]" 1 1305 1 99 VAL HB 1 100 THR H . . 4.240 4.134 4.030 4.246 0.006 13 0 "[ . 1 . 2]" 1 1306 1 99 VAL QG 1 100 THR H . . 3.900 2.088 1.933 2.259 . 0 0 "[ . 1 . 2]" 1 1307 1 99 VAL QG 1 101 LEU QD . . 3.260 1.973 1.536 2.509 . 0 0 "[ . 1 . 2]" 1 1308 1 99 VAL QG 1 101 LEU HG . . 4.050 2.840 2.101 3.531 . 0 0 "[ . 1 . 2]" 1 1309 1 100 THR H 1 100 THR HB . . 3.470 2.476 2.311 2.821 . 0 0 "[ . 1 . 2]" 1 1310 1 100 THR H 1 100 THR MG . . 4.240 3.741 3.569 3.864 . 0 0 "[ . 1 . 2]" 1 1311 1 100 THR HA 1 100 THR MG . . 3.130 2.459 2.108 2.695 . 0 0 "[ . 1 . 2]" 1 1312 1 100 THR HA 1 101 LEU H . . 3.170 2.184 2.151 2.244 . 0 0 "[ . 1 . 2]" 1 1313 1 100 THR HB 1 101 LEU H . . 4.760 4.527 4.114 4.683 . 0 0 "[ . 1 . 2]" 1 1314 1 100 THR MG 1 101 LEU H . . 3.530 3.146 2.465 3.547 0.017 6 0 "[ . 1 . 2]" 1 1315 1 101 LEU H 1 101 LEU QB . . 3.870 2.429 2.251 2.665 . 0 0 "[ . 1 . 2]" 1 1316 1 101 LEU H 1 101 LEU QD . . 4.370 2.851 1.887 3.695 . 0 0 "[ . 1 . 2]" 1 1317 1 101 LEU H 1 101 LEU HG . . 4.040 3.386 2.620 4.122 0.082 6 0 "[ . 1 . 2]" 1 1318 1 101 LEU H 1 102 GLU H . . 5.240 4.364 4.108 4.465 . 0 0 "[ . 1 . 2]" 1 1319 1 101 LEU HA 1 101 LEU QD . . 3.210 2.154 1.915 2.703 . 0 0 "[ . 1 . 2]" 1 1320 1 101 LEU HA 1 102 GLU H . . 3.210 2.181 2.176 2.203 . 0 0 "[ . 1 . 2]" 1 1321 1 101 LEU QB 1 102 GLU H . . 4.470 3.410 3.170 3.573 . 0 0 "[ . 1 . 2]" 1 1322 1 101 LEU QB 1 103 ILE MD . . 3.970 2.985 2.639 3.417 . 0 0 "[ . 1 . 2]" 1 1323 1 101 LEU QB 1 103 ILE HG12 . . 3.500 3.140 2.960 3.338 . 0 0 "[ . 1 . 2]" 1 1324 1 101 LEU QB 1 103 ILE HG13 . . 4.540 3.912 3.745 4.231 . 0 0 "[ . 1 . 2]" 1 1325 1 101 LEU QD 1 102 GLU H . . 4.140 3.607 3.233 4.057 . 0 0 "[ . 1 . 2]" 1 1326 1 102 GLU H 1 102 GLU QB . . 3.900 2.279 2.236 2.335 . 0 0 "[ . 1 . 2]" 1 1327 1 102 GLU H 1 102 GLU HG2 . . 4.760 4.583 4.329 4.725 . 0 0 "[ . 1 . 2]" 1 1328 1 102 GLU H 1 102 GLU HG3 . . 4.370 4.390 4.311 4.523 0.153 7 0 "[ . 1 . 2]" 1 1329 1 102 GLU H 1 103 ILE H . . 5.090 4.358 4.295 4.490 . 0 0 "[ . 1 . 2]" 1 1330 1 102 GLU HA 1 102 GLU HG2 . . 3.840 3.419 3.237 3.685 . 0 0 "[ . 1 . 2]" 1 1331 1 102 GLU HA 1 102 GLU HG3 . . 3.970 2.269 2.046 2.526 . 0 0 "[ . 1 . 2]" 1 1332 1 102 GLU HA 1 103 ILE H . . 3.260 2.211 2.202 2.223 . 0 0 "[ . 1 . 2]" 1 1333 1 102 GLU HA 1 103 ILE HB . . 4.760 4.674 4.519 4.781 0.021 17 0 "[ . 1 . 2]" 1 1334 1 102 GLU QB 1 103 ILE H . . 4.540 3.953 3.873 4.016 . 0 0 "[ . 1 . 2]" 1 1335 1 102 GLU HG2 1 103 ILE H . . 4.540 4.177 3.757 4.444 . 0 0 "[ . 1 . 2]" 1 1336 1 102 GLU HG3 1 103 ILE H . . 4.370 3.168 2.781 3.491 . 0 0 "[ . 1 . 2]" 1 1337 1 103 ILE H 1 103 ILE HB . . 3.640 2.528 2.359 2.684 . 0 0 "[ . 1 . 2]" 1 1338 1 103 ILE H 1 103 ILE MD . . 4.240 3.758 3.618 3.930 . 0 0 "[ . 1 . 2]" 1 1339 1 103 ILE H 1 103 ILE HG12 . . 3.970 2.503 2.257 2.693 . 0 0 "[ . 1 . 2]" 1 1340 1 103 ILE H 1 103 ILE HG13 . . 4.140 3.711 3.468 3.914 . 0 0 "[ . 1 . 2]" 1 1341 1 103 ILE H 1 103 ILE MG . . 4.280 3.792 3.705 3.860 . 0 0 "[ . 1 . 2]" 1 1342 1 103 ILE HA 1 103 ILE MD . . 3.440 2.253 2.051 2.535 . 0 0 "[ . 1 . 2]" 1 1343 1 103 ILE HA 1 103 ILE MG . . 3.320 2.307 2.198 2.461 . 0 0 "[ . 1 . 2]" 1 1344 1 103 ILE HA 1 104 GLU H . . 3.130 2.477 2.409 2.510 . 0 0 "[ . 1 . 2]" 1 1345 1 103 ILE HB 1 103 ILE MD . . 3.390 3.187 3.134 3.211 . 0 0 "[ . 1 . 2]" 1 1346 1 103 ILE HB 1 104 GLU H . . 3.730 3.595 3.417 3.797 0.067 20 0 "[ . 1 . 2]" 1 1347 1 103 ILE HB 1 105 PHE QD . . 4.760 4.058 3.709 4.598 . 0 0 "[ . 1 . 2]" 1 1348 1 103 ILE MD 1 103 ILE MG . . 2.500 1.878 1.799 1.928 . 0 0 "[ . 1 . 2]" 1 1349 1 103 ILE MD 1 104 GLU H . . 3.970 3.576 3.243 3.769 . 0 0 "[ . 1 . 2]" 1 1350 1 103 ILE HG12 1 103 ILE MG . . 3.350 3.225 3.177 3.239 . 0 0 "[ . 1 . 2]" 1 1351 1 103 ILE HG13 1 103 ILE MG . . 3.350 2.500 2.374 2.686 . 0 0 "[ . 1 . 2]" 1 1352 1 103 ILE MG 1 104 GLU H . . 3.570 1.847 1.786 1.961 . 0 0 "[ . 1 . 2]" 1 1353 1 103 ILE MG 1 104 GLU HA . . 4.370 3.609 3.411 3.780 . 0 0 "[ . 1 . 2]" 1 1354 1 103 ILE MG 1 104 GLU HB3 . . 4.540 4.062 3.928 4.176 . 0 0 "[ . 1 . 2]" 1 1355 1 103 ILE MG 1 105 PHE H . . 4.760 4.294 4.133 4.441 . 0 0 "[ . 1 . 2]" 1 1356 1 103 ILE MG 1 105 PHE HA . . 4.370 4.402 4.372 4.504 0.134 20 0 "[ . 1 . 2]" 1 1357 1 103 ILE MG 1 105 PHE HB3 . . 4.240 3.700 3.546 3.971 . 0 0 "[ . 1 . 2]" 1 1358 1 103 ILE MG 1 105 PHE QD . . 3.170 3.156 2.968 3.271 0.101 20 0 "[ . 1 . 2]" 1 1359 1 104 GLU H 1 104 GLU HB2 . . 4.140 3.475 3.342 3.561 . 0 0 "[ . 1 . 2]" 1 1360 1 104 GLU H 1 104 GLU HB3 . . 4.070 2.660 2.511 2.743 . 0 0 "[ . 1 . 2]" 1 1361 1 104 GLU H 1 104 GLU HG2 . . 4.470 4.217 4.100 4.313 . 0 0 "[ . 1 . 2]" 1 1362 1 104 GLU HA 1 104 GLU HG2 . . 3.780 3.650 3.457 3.697 . 0 0 "[ . 1 . 2]" 1 1363 1 104 GLU HA 1 104 GLU HG3 . . 3.640 2.678 2.583 2.745 . 0 0 "[ . 1 . 2]" 1 1364 1 104 GLU HA 1 105 PHE H . . 3.130 2.235 2.209 2.336 . 0 0 "[ . 1 . 2]" 1 1365 1 104 GLU HB2 1 105 PHE H . . 4.670 4.082 3.924 4.172 . 0 0 "[ . 1 . 2]" 1 1366 1 104 GLU HG2 1 105 PHE H . . 4.240 3.776 3.202 4.012 . 0 0 "[ . 1 . 2]" 1 1367 1 104 GLU HG2 1 105 PHE QD . . 5.500 5.399 4.932 5.534 0.034 20 0 "[ . 1 . 2]" 1 1368 1 104 GLU HG3 1 105 PHE H . . 4.100 2.541 1.955 2.728 . 0 0 "[ . 1 . 2]" 1 1369 1 104 GLU HG3 1 105 PHE QD . . 4.540 4.475 4.233 4.631 0.091 20 0 "[ . 1 . 2]" 1 1370 1 105 PHE H 1 105 PHE QD . . 3.310 2.271 2.092 3.022 . 0 0 "[ . 1 . 2]" 1 1371 1 105 PHE HA 1 106 ASP H . . 3.350 2.635 2.580 2.664 . 0 0 "[ . 1 . 2]" 1 1372 1 105 PHE HB2 1 106 ASP H . . 3.780 2.183 2.133 2.293 . 0 0 "[ . 1 . 2]" 1 1373 1 105 PHE HB3 1 106 ASP H . . 4.050 3.547 3.427 3.643 . 0 0 "[ . 1 . 2]" 1 1374 1 105 PHE QD 1 106 ASP H . . 3.590 3.459 2.940 3.609 0.019 3 0 "[ . 1 . 2]" 1 1375 1 105 PHE QD 1 107 VAL QG . . 3.060 2.864 2.438 3.024 . 0 0 "[ . 1 . 2]" 1 1376 1 105 PHE QE 1 107 VAL QG . . 3.240 2.766 2.057 3.148 . 0 0 "[ . 1 . 2]" 1 1377 1 106 ASP H 1 106 ASP HB3 . . 3.570 3.189 2.960 3.678 0.108 15 0 "[ . 1 . 2]" 1 1378 1 106 ASP HA 1 107 VAL H . . 3.160 2.402 2.252 2.492 . 0 0 "[ . 1 . 2]" 1 1379 1 106 ASP HA 1 107 VAL QG . . 4.050 3.320 3.157 3.629 . 0 0 "[ . 1 . 2]" 1 1380 1 106 ASP HB2 1 107 VAL H . . 3.640 2.998 2.526 3.639 . 0 0 "[ . 1 . 2]" 1 1381 1 106 ASP HB3 1 107 VAL H . . 4.530 3.646 2.704 4.195 . 0 0 "[ . 1 . 2]" 1 1382 1 107 VAL H 1 107 VAL HB . . 3.470 2.737 2.417 3.528 0.058 20 0 "[ . 1 . 2]" 1 1383 1 107 VAL H 1 107 VAL QG . . 3.260 2.540 1.898 2.843 . 0 0 "[ . 1 . 2]" 1 1384 1 107 VAL H 1 108 ALA H . . 4.530 4.486 4.396 4.650 0.120 16 0 "[ . 1 . 2]" 1 1385 1 107 VAL HA 1 107 VAL QG . . 2.950 2.153 2.058 2.403 . 0 0 "[ . 1 . 2]" 1 1386 1 107 VAL HA 1 108 ALA H . . 2.710 2.301 2.238 2.386 . 0 0 "[ . 1 . 2]" 1 1387 1 107 VAL HA 1 108 ALA MB . . 3.900 3.887 3.852 3.914 0.014 19 0 "[ . 1 . 2]" 1 1388 1 107 VAL HB 1 108 ALA H . . 4.050 3.808 2.767 4.054 0.004 11 0 "[ . 1 . 2]" 1 1389 1 107 VAL QG 1 108 ALA H . . 3.280 2.251 1.926 3.203 . 0 0 "[ . 1 . 2]" 1 1390 1 108 ALA H 1 108 ALA MB . . 2.850 2.008 1.949 2.163 . 0 0 "[ . 1 . 2]" 1 1391 1 108 ALA HA 1 109 GLU H . . 2.930 2.271 2.188 2.368 . 0 0 "[ . 1 . 2]" 1 1392 1 108 ALA MB 1 109 GLU H . . 3.690 3.043 2.817 3.421 . 0 0 "[ . 1 . 2]" 1 1393 1 109 GLU H 1 109 GLU HB2 . . 3.250 2.718 2.257 3.768 0.518 11 1 "[ . 1+ . 2]" 1 1394 1 109 GLU H 1 109 GLU HB3 . . 3.980 3.410 2.809 3.653 . 0 0 "[ . 1 . 2]" 1 1395 1 109 GLU H 1 109 GLU QG . . 3.680 2.872 2.053 3.632 . 0 0 "[ . 1 . 2]" 1 1396 1 109 GLU HA 1 109 GLU QG . . 3.780 2.499 1.980 3.364 . 0 0 "[ . 1 . 2]" 1 1397 1 109 GLU HA 1 110 SER H . . 2.950 2.501 2.273 2.558 . 0 0 "[ . 1 . 2]" 1 1398 1 109 GLU HB2 1 110 SER H . . 4.670 3.507 2.362 4.115 . 0 0 "[ . 1 . 2]" 1 1399 1 109 GLU HB3 1 110 SER H . . 3.440 2.857 2.331 3.928 0.488 8 0 "[ . 1 . 2]" 1 1400 1 110 SER H 1 110 SER QB . . 3.450 2.301 2.030 2.523 . 0 0 "[ . 1 . 2]" 1 1401 1 110 SER H 1 111 VAL H . . 4.370 4.306 4.106 4.380 0.010 16 0 "[ . 1 . 2]" 1 1402 1 110 SER HA 1 111 VAL H . . 3.040 2.242 2.217 2.264 . 0 0 "[ . 1 . 2]" 1 1403 1 110 SER QB 1 111 VAL H . . 4.240 3.753 3.517 4.023 . 0 0 "[ . 1 . 2]" 1 1404 1 111 VAL H 1 111 VAL HB . . 3.600 3.095 2.305 3.537 . 0 0 "[ . 1 . 2]" 1 1405 1 111 VAL H 1 111 VAL MG1 . . 3.770 2.695 1.971 4.032 0.262 16 0 "[ . 1 . 2]" 1 1406 1 111 VAL HA 1 111 VAL MG2 . . 3.020 2.347 2.124 3.212 0.192 5 0 "[ . 1 . 2]" 1 1407 1 111 VAL HA 1 112 ILE H . . 3.080 2.288 2.188 2.483 . 0 0 "[ . 1 . 2]" 1 1408 1 111 VAL HB 1 112 ILE H . . 4.420 4.107 2.922 4.337 . 0 0 "[ . 1 . 2]" 1 1409 1 111 VAL MG2 1 112 ILE H . . 3.970 2.739 1.913 4.041 0.071 16 0 "[ . 1 . 2]" 1 1410 1 112 ILE H 1 112 ILE HB . . 3.500 3.012 2.097 3.535 0.035 4 0 "[ . 1 . 2]" 1 1411 1 112 ILE H 1 112 ILE MD . . 4.200 3.287 2.267 4.057 . 0 0 "[ . 1 . 2]" 1 1412 1 112 ILE H 1 112 ILE HG12 . . 4.240 3.008 1.999 4.506 0.266 13 0 "[ . 1 . 2]" 1 1413 1 112 ILE H 1 112 ILE HG13 . . 4.470 2.658 2.088 3.987 . 0 0 "[ . 1 . 2]" 1 1414 1 112 ILE H 1 112 ILE MG . . 4.670 2.874 2.125 3.777 . 0 0 "[ . 1 . 2]" 1 1415 1 112 ILE HA 1 112 ILE HG13 . . 3.780 3.118 2.120 3.695 . 0 0 "[ . 1 . 2]" 1 1416 1 112 ILE HA 1 112 ILE MG . . 3.570 2.408 2.105 3.161 . 0 0 "[ . 1 . 2]" 1 1417 1 112 ILE HA 1 113 PRO HD2 . . 3.060 2.454 2.193 2.723 . 0 0 "[ . 1 . 2]" 1 1418 1 112 ILE HA 1 113 PRO HD3 . . 3.090 1.957 1.909 2.069 . 0 0 "[ . 1 . 2]" 1 1419 1 112 ILE HB 1 113 PRO HD3 . . 4.240 4.135 3.094 4.671 0.431 15 0 "[ . 1 . 2]" 1 1420 1 112 ILE HG12 1 112 ILE MG . . 3.370 2.231 1.993 3.211 . 0 0 "[ . 1 . 2]" 1 1421 1 112 ILE HG13 1 112 ILE MG . . 3.730 3.037 2.341 3.239 . 0 0 "[ . 1 . 2]" 1 1422 1 112 ILE MG 1 113 PRO HD2 . . 4.370 2.833 1.784 3.854 . 0 0 "[ . 1 . 2]" 1 1423 1 112 ILE MG 1 113 PRO HD3 . . 3.840 3.416 2.875 4.209 0.369 13 0 "[ . 1 . 2]" 1 stop_ save_
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