NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
402918 | 1wgu | 10235 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wgu 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 2406 _Distance_constraint_stats_list.Viol_count 2539 _Distance_constraint_stats_list.Viol_total 2861.775 _Distance_constraint_stats_list.Viol_max 0.954 _Distance_constraint_stats_list.Viol_rms 0.0293 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0030 _Distance_constraint_stats_list.Viol_average_violations_only 0.0564 _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 9 THR 4.287 0.454 14 0 "[ . 1 . 2]" 1 10 PRO 4.315 0.454 14 0 "[ . 1 . 2]" 1 11 LYS 0.199 0.087 13 0 "[ . 1 . 2]" 1 12 THR 0.283 0.087 13 0 "[ . 1 . 2]" 1 13 GLU 2.527 0.306 8 0 "[ . 1 . 2]" 1 14 LEU 4.287 0.326 10 0 "[ . 1 . 2]" 1 15 VAL 3.938 0.419 20 0 "[ . 1 . 2]" 1 16 GLN 4.925 0.424 2 0 "[ . 1 . 2]" 1 17 LYS 20.092 0.954 11 8 "[- . *1+* .*** *]" 1 18 PHE 1.420 0.313 18 0 "[ . 1 . 2]" 1 19 ARG 6.818 0.818 11 5 "[ . * -+* *. 2]" 1 20 VAL 4.019 0.818 11 5 "[ . * -+* *. 2]" 1 21 GLN 3.308 0.819 3 2 "[ + . 1 . - 2]" 1 22 TYR 1.782 0.078 2 0 "[ . 1 . 2]" 1 23 LEU 0.469 0.022 10 0 "[ . 1 . 2]" 1 24 GLY 0.502 0.025 3 0 "[ . 1 . 2]" 1 25 MET 0.409 0.036 5 0 "[ . 1 . 2]" 1 26 LEU 3.454 0.162 19 0 "[ . 1 . 2]" 1 27 PRO 3.044 0.162 19 0 "[ . 1 . 2]" 1 28 VAL 0.286 0.024 2 0 "[ . 1 . 2]" 1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 ARG 0.585 0.304 9 0 "[ . 1 . 2]" 1 31 PRO 0.039 0.014 11 0 "[ . 1 . 2]" 1 32 VAL 0.328 0.039 2 0 "[ . 1 . 2]" 1 33 GLY 0.003 0.003 19 0 "[ . 1 . 2]" 1 34 MET 0.404 0.290 8 0 "[ . 1 . 2]" 1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 THR 0.028 0.019 19 0 "[ . 1 . 2]" 1 37 LEU 0.331 0.022 2 0 "[ . 1 . 2]" 1 38 ASN 0.003 0.002 6 0 "[ . 1 . 2]" 1 39 SER 0.062 0.062 13 0 "[ . 1 . 2]" 1 40 ALA 0.203 0.073 20 0 "[ . 1 . 2]" 1 41 ILE 0.279 0.073 20 0 "[ . 1 . 2]" 1 42 GLU 0.042 0.042 20 0 "[ . 1 . 2]" 1 43 ASN 0.030 0.017 1 0 "[ . 1 . 2]" 1 44 LEU 0.561 0.035 14 0 "[ . 1 . 2]" 1 45 MET 0.453 0.109 20 0 "[ . 1 . 2]" 1 46 THR 1.299 0.122 20 0 "[ . 1 . 2]" 1 47 SER 1.191 0.610 14 2 "[ -. 1 +. 2]" 1 48 SER 1.301 0.610 14 2 "[ -. 1 +. 2]" 1 49 SER 0.096 0.084 6 0 "[ . 1 . 2]" 1 50 LYS 0.093 0.014 11 0 "[ . 1 . 2]" 1 51 GLU 0.005 0.003 7 0 "[ . 1 . 2]" 1 52 ASP 0.001 0.001 14 0 "[ . 1 . 2]" 1 53 TRP 7.400 0.314 2 0 "[ . 1 . 2]" 1 54 PRO 9.020 0.314 2 0 "[ . 1 . 2]" 1 55 SER 4.565 0.819 3 2 "[ + . 1 . - 2]" 1 56 VAL 5.205 0.663 3 2 "[ + . 1 . - 2]" 1 57 ASN 0.956 0.456 10 0 "[ . 1 . 2]" 1 58 MET 0.218 0.049 18 0 "[ . 1 . 2]" 1 59 ASN 5.658 0.954 11 4 "[- . *1+ . * 2]" 1 60 VAL 3.244 0.424 2 0 "[ . 1 . 2]" 1 61 ALA 0.749 0.154 13 0 "[ . 1 . 2]" 1 62 ASP 0.834 0.203 17 0 "[ . 1 . 2]" 1 63 ALA 0.056 0.015 10 0 "[ . 1 . 2]" 1 64 THR 3.542 0.564 4 1 "[ +. 1 . 2]" 1 65 VAL 2.023 0.107 17 0 "[ . 1 . 2]" 1 66 THR 5.037 0.786 18 6 "[* *.* * - + 2]" 1 67 VAL 0.532 0.047 10 0 "[ . 1 . 2]" 1 68 ILE 0.962 0.039 10 0 "[ . 1 . 2]" 1 69 SER 1.006 0.732 12 1 "[ . 1 + . 2]" 1 70 GLU 1.272 0.125 17 0 "[ . 1 . 2]" 1 71 LYS 0.904 0.362 2 0 "[ . 1 . 2]" 1 72 ASN 1.307 0.406 4 0 "[ . 1 . 2]" 1 73 GLU 0.913 0.131 6 0 "[ . 1 . 2]" 1 74 GLU 7.089 0.802 17 4 "[ . 1 -. + **]" 1 75 GLU 3.664 0.732 12 1 "[ . 1 + . 2]" 1 76 VAL 1.770 0.212 19 0 "[ . 1 . 2]" 1 77 LEU 0.619 0.035 17 0 "[ . 1 . 2]" 1 78 VAL 0.872 0.041 12 0 "[ . 1 . 2]" 1 79 GLU 7.109 0.786 18 6 "[* *.* * - + 2]" 1 80 CYS 0.664 0.058 17 0 "[ . 1 . 2]" 1 81 ARG 0.061 0.020 11 0 "[ . 1 . 2]" 1 82 VAL 2.211 0.142 13 0 "[ . 1 . 2]" 1 83 ARG 0.859 0.099 14 0 "[ . 1 . 2]" 1 84 PHE 0.060 0.037 16 0 "[ . 1 . 2]" 1 85 LEU 2.362 0.112 14 0 "[ . 1 . 2]" 1 86 SER 0.119 0.050 11 0 "[ . 1 . 2]" 1 87 PHE 1.537 0.290 8 0 "[ . 1 . 2]" 1 88 MET 2.757 0.105 13 0 "[ . 1 . 2]" 1 89 GLY 0.511 0.072 14 0 "[ . 1 . 2]" 1 90 VAL 0.204 0.036 14 0 "[ . 1 . 2]" 1 91 GLY 0.087 0.022 10 0 "[ . 1 . 2]" 1 92 LYS 7.424 0.538 20 1 "[ . 1 . +]" 1 93 ASP 0.406 0.202 14 0 "[ . 1 . 2]" 1 94 VAL 0.202 0.058 5 0 "[ . 1 . 2]" 1 95 HIS 0.323 0.033 6 0 "[ . 1 . 2]" 1 96 THR 1.105 0.080 15 0 "[ . 1 . 2]" 1 97 PHE 0.847 0.064 14 0 "[ . 1 . 2]" 1 98 ALA 0.811 0.080 8 0 "[ . 1 . 2]" 1 99 PHE 2.167 0.105 13 0 "[ . 1 . 2]" 1 100 ILE 0.203 0.021 8 0 "[ . 1 . 2]" 1 101 MET 2.634 0.141 6 0 "[ . 1 . 2]" 1 102 ASP 0.391 0.070 6 0 "[ . 1 . 2]" 1 103 THR 0.947 0.141 6 0 "[ . 1 . 2]" 1 104 GLY 0.941 0.155 17 0 "[ . 1 . 2]" 1 105 ASN 2.011 0.169 15 0 "[ . 1 . 2]" 1 106 GLN 2.321 0.169 15 0 "[ . 1 . 2]" 1 107 ARG 2.804 0.289 12 0 "[ . 1 . 2]" 1 108 PHE 2.422 0.651 11 1 "[ . 1+ . 2]" 1 109 GLU 7.509 0.651 11 2 "[ . 1+ - . 2]" 1 110 CYS 5.748 0.504 13 1 "[ . 1 + . 2]" 1 111 HIS 0.550 0.052 9 0 "[ . 1 . 2]" 1 112 VAL 0.803 0.052 9 0 "[ . 1 . 2]" 1 113 PHE 0.539 0.041 12 0 "[ . 1 . 2]" 1 114 TRP 0.298 0.033 3 0 "[ . 1 . 2]" 1 115 CYS 0.577 0.033 6 0 "[ . 1 . 2]" 1 116 GLU 0.063 0.013 8 0 "[ . 1 . 2]" 1 117 PRO 0.428 0.062 2 0 "[ . 1 . 2]" 1 118 ASN 6.787 0.378 1 0 "[ . 1 . 2]" 1 119 ALA 4.853 0.282 12 0 "[ . 1 . 2]" 1 120 ALA 2.346 0.378 1 0 "[ . 1 . 2]" 1 121 ASN 0.759 0.313 18 0 "[ . 1 . 2]" 1 122 VAL 0.565 0.073 8 0 "[ . 1 . 2]" 1 123 SER 1.734 0.647 8 2 "[ . + 1 - . 2]" 1 124 GLU 2.653 0.647 8 2 "[ . + 1 - . 2]" 1 125 ALA 0.696 0.259 8 0 "[ . 1 . 2]" 1 126 VAL 0.187 0.018 12 0 "[ . 1 . 2]" 1 127 GLN 3.041 0.296 1 0 "[ . 1 . 2]" 1 128 ALA 0.960 0.257 9 0 "[ . 1 . 2]" 1 129 ALA 1.628 0.861 1 2 "[+ . 1 - . 2]" 1 130 CYS 2.275 0.861 1 2 "[+ . 1 - . 2]" 1 131 SER 0.262 0.262 1 0 "[ . 1 . 2]" 1 132 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 133 PRO 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 9 THR HA 1 9 THR MG . . 3.720 2.600 2.326 3.244 . 0 0 "[ . 1 . 2]" 1 2 1 9 THR HA 1 10 PRO HD2 . . 3.060 2.399 2.159 2.746 . 0 0 "[ . 1 . 2]" 1 3 1 9 THR HA 1 10 PRO HD3 . . 3.330 2.029 1.889 2.298 . 0 0 "[ . 1 . 2]" 1 4 1 9 THR HB 1 10 PRO HD3 . . 4.230 4.145 3.062 4.684 0.454 14 0 "[ . 1 . 2]" 1 5 1 9 THR MG 1 10 PRO HD2 . . 4.580 3.653 1.794 4.175 . 0 0 "[ . 1 . 2]" 1 6 1 9 THR MG 1 10 PRO HD3 . . 4.140 3.941 2.907 4.377 0.237 19 0 "[ . 1 . 2]" 1 7 1 10 PRO HA 1 11 LYS H . . 3.390 2.587 2.179 3.415 0.025 11 0 "[ . 1 . 2]" 1 8 1 11 LYS H 1 12 THR H . . 5.390 3.999 2.746 4.651 . 0 0 "[ . 1 . 2]" 1 9 1 11 LYS HA 1 12 THR H . . 3.530 2.487 2.176 3.617 0.087 13 0 "[ . 1 . 2]" 1 10 1 12 THR HA 1 12 THR MG . . 3.370 2.796 2.297 3.244 . 0 0 "[ . 1 . 2]" 1 11 1 12 THR HA 1 13 GLU H . . 3.360 2.443 2.151 3.437 0.077 11 0 "[ . 1 . 2]" 1 12 1 12 THR HB 1 13 GLU H . . 4.550 3.766 1.943 4.582 0.032 10 0 "[ . 1 . 2]" 1 13 1 12 THR MG 1 13 GLU H . . 4.840 3.765 2.668 4.372 . 0 0 "[ . 1 . 2]" 1 14 1 13 GLU H 1 13 GLU HB3 . . 3.790 3.655 3.127 4.096 0.306 8 0 "[ . 1 . 2]" 1 15 1 13 GLU H 1 13 GLU HG3 . . 4.710 3.914 2.428 4.586 . 0 0 "[ . 1 . 2]" 1 16 1 13 GLU HA 1 13 GLU HG2 . . 3.500 2.672 1.957 3.506 0.006 15 0 "[ . 1 . 2]" 1 17 1 13 GLU HA 1 14 LEU H . . 3.040 2.411 2.208 2.737 . 0 0 "[ . 1 . 2]" 1 18 1 13 GLU HB2 1 14 LEU H . . 4.420 4.260 3.781 4.591 0.171 4 0 "[ . 1 . 2]" 1 19 1 13 GLU HB3 1 14 LEU H . . 4.590 3.356 2.404 4.397 . 0 0 "[ . 1 . 2]" 1 20 1 14 LEU H 1 14 LEU HB2 . . 3.320 2.317 1.982 3.336 0.016 5 0 "[ . 1 . 2]" 1 21 1 14 LEU H 1 14 LEU MD2 . . 4.640 3.500 1.913 4.923 0.283 11 0 "[ . 1 . 2]" 1 22 1 14 LEU H 1 14 LEU HG . . 4.290 4.089 3.782 4.308 0.018 5 0 "[ . 1 . 2]" 1 23 1 14 LEU HA 1 14 LEU MD1 . . 3.600 2.716 2.002 3.555 . 0 0 "[ . 1 . 2]" 1 24 1 14 LEU HA 1 14 LEU MD2 . . 3.250 2.917 1.958 3.566 0.316 8 0 "[ . 1 . 2]" 1 25 1 14 LEU HA 1 14 LEU HG . . 4.040 2.830 2.086 3.685 . 0 0 "[ . 1 . 2]" 1 26 1 14 LEU HA 1 15 VAL H . . 2.750 2.320 2.195 2.763 0.013 11 0 "[ . 1 . 2]" 1 27 1 14 LEU HB2 1 14 LEU MD1 . . 3.650 2.602 1.960 3.216 . 0 0 "[ . 1 . 2]" 1 28 1 14 LEU HB2 1 15 VAL H . . 4.430 4.269 3.754 4.469 0.039 10 0 "[ . 1 . 2]" 1 29 1 14 LEU HB3 1 14 LEU MD1 . . 3.090 2.644 2.022 3.095 0.005 8 0 "[ . 1 . 2]" 1 30 1 14 LEU HB3 1 15 VAL H . . 3.970 3.308 2.500 3.980 0.010 10 0 "[ . 1 . 2]" 1 31 1 14 LEU MD1 1 15 VAL H . . 4.170 3.624 2.320 4.496 0.326 10 0 "[ . 1 . 2]" 1 32 1 14 LEU MD2 1 15 VAL H . . 4.520 3.428 1.957 4.518 . 0 0 "[ . 1 . 2]" 1 33 1 15 VAL H 1 15 VAL HB . . 3.290 2.789 2.468 3.533 0.243 20 0 "[ . 1 . 2]" 1 34 1 15 VAL H 1 15 VAL QG . . 3.270 2.689 1.834 2.948 . 0 0 "[ . 1 . 2]" 1 35 1 15 VAL H 1 16 GLN H . . 4.520 4.462 4.367 4.628 0.108 16 0 "[ . 1 . 2]" 1 36 1 15 VAL HA 1 15 VAL QG . . 3.140 2.190 2.065 2.536 . 0 0 "[ . 1 . 2]" 1 37 1 15 VAL HA 1 16 GLN H . . 2.830 2.347 2.260 2.463 . 0 0 "[ . 1 . 2]" 1 38 1 15 VAL HA 1 16 GLN HG3 . . 4.760 4.348 3.694 4.715 . 0 0 "[ . 1 . 2]" 1 39 1 15 VAL HA 1 60 VAL HB . . 4.690 4.646 4.243 4.700 0.010 19 0 "[ . 1 . 2]" 1 40 1 15 VAL HA 1 61 ALA HA . . 3.860 3.503 2.875 3.839 . 0 0 "[ . 1 . 2]" 1 41 1 15 VAL HA 1 61 ALA MB . . 3.510 2.427 1.981 3.582 0.072 10 0 "[ . 1 . 2]" 1 42 1 15 VAL HB 1 16 GLN H . . 4.280 3.781 2.642 4.145 . 0 0 "[ . 1 . 2]" 1 43 1 15 VAL HB 1 17 LYS HE3 . . 4.710 3.846 2.856 5.129 0.419 20 0 "[ . 1 . 2]" 1 44 1 15 VAL HB 1 61 ALA MB . . 3.970 3.440 1.806 3.992 0.022 9 0 "[ . 1 . 2]" 1 45 1 15 VAL QG 1 16 GLN H . . 3.540 2.243 1.865 3.011 . 0 0 "[ . 1 . 2]" 1 46 1 15 VAL QG 1 16 GLN HA . . 4.310 3.508 3.151 3.721 . 0 0 "[ . 1 . 2]" 1 47 1 15 VAL QG 1 17 LYS H . . 4.130 3.682 3.416 3.963 . 0 0 "[ . 1 . 2]" 1 48 1 15 VAL QG 1 17 LYS HE3 . . 3.690 2.431 1.861 3.328 . 0 0 "[ . 1 . 2]" 1 49 1 15 VAL QG 1 17 LYS HG2 . . 4.430 3.882 3.517 4.123 . 0 0 "[ . 1 . 2]" 1 50 1 15 VAL QG 1 17 LYS HG3 . . 4.510 2.693 2.134 3.918 . 0 0 "[ . 1 . 2]" 1 51 1 15 VAL QG 1 59 ASN HA . . 4.060 3.025 2.900 3.094 . 0 0 "[ . 1 . 2]" 1 52 1 15 VAL QG 1 59 ASN HB2 . . 3.840 3.629 3.524 3.826 . 0 0 "[ . 1 . 2]" 1 53 1 15 VAL QG 1 59 ASN HB3 . . 4.200 4.106 4.050 4.178 . 0 0 "[ . 1 . 2]" 1 54 1 15 VAL QG 1 59 ASN HD21 . . 4.540 2.911 2.764 3.471 . 0 0 "[ . 1 . 2]" 1 55 1 15 VAL QG 1 59 ASN HD22 . . 4.470 2.086 1.879 2.608 . 0 0 "[ . 1 . 2]" 1 56 1 15 VAL QG 1 60 VAL H . . 3.990 2.355 1.793 2.809 . 0 0 "[ . 1 . 2]" 1 57 1 15 VAL QG 1 61 ALA HA . . 3.940 3.501 3.106 3.740 . 0 0 "[ . 1 . 2]" 1 58 1 15 VAL QG 1 61 ALA MB . . 3.290 1.722 1.635 2.056 . 0 0 "[ . 1 . 2]" 1 59 1 15 VAL QG 1 62 ASP H . . 4.690 4.271 4.128 4.501 . 0 0 "[ . 1 . 2]" 1 60 1 16 GLN H 1 16 GLN HB2 . . 3.350 2.434 2.261 2.615 . 0 0 "[ . 1 . 2]" 1 61 1 16 GLN H 1 16 GLN HG3 . . 4.010 3.565 3.166 3.924 . 0 0 "[ . 1 . 2]" 1 62 1 16 GLN H 1 17 LYS H . . 4.140 4.193 4.143 4.289 0.149 5 0 "[ . 1 . 2]" 1 63 1 16 GLN H 1 59 ASN HA . . 5.210 4.148 3.897 4.447 . 0 0 "[ . 1 . 2]" 1 64 1 16 GLN H 1 60 VAL H . . 4.050 2.307 2.098 2.635 . 0 0 "[ . 1 . 2]" 1 65 1 16 GLN H 1 60 VAL HB . . 3.840 2.787 2.583 2.969 . 0 0 "[ . 1 . 2]" 1 66 1 16 GLN H 1 61 ALA MB . . 4.340 3.673 3.399 4.390 0.050 10 0 "[ . 1 . 2]" 1 67 1 16 GLN HA 1 16 GLN HG2 . . 3.450 2.551 2.283 2.824 . 0 0 "[ . 1 . 2]" 1 68 1 16 GLN HA 1 16 GLN HG3 . . 3.710 2.489 2.173 2.626 . 0 0 "[ . 1 . 2]" 1 69 1 16 GLN HA 1 17 LYS H . . 2.870 2.207 2.203 2.210 . 0 0 "[ . 1 . 2]" 1 70 1 16 GLN HA 1 17 LYS HB2 . . 4.450 4.348 4.266 4.438 . 0 0 "[ . 1 . 2]" 1 71 1 16 GLN HA 1 18 PHE QE . . 4.620 4.512 4.387 4.601 . 0 0 "[ . 1 . 2]" 1 72 1 16 GLN HB2 1 60 VAL H . . 4.280 3.749 3.619 4.304 0.024 10 0 "[ . 1 . 2]" 1 73 1 16 GLN HB2 1 60 VAL HB . . 2.960 2.128 1.997 2.988 0.028 10 0 "[ . 1 . 2]" 1 74 1 16 GLN HB3 1 16 GLN HE22 . . 4.630 4.117 3.829 4.607 . 0 0 "[ . 1 . 2]" 1 75 1 16 GLN HB3 1 17 LYS H . . 3.890 3.813 3.653 3.901 0.011 20 0 "[ . 1 . 2]" 1 76 1 16 GLN HB3 1 18 PHE QD . . 3.910 3.392 3.076 3.821 . 0 0 "[ . 1 . 2]" 1 77 1 16 GLN HB3 1 18 PHE QE . . 3.530 2.061 1.997 2.182 . 0 0 "[ . 1 . 2]" 1 78 1 16 GLN HB3 1 125 ALA MB . . 3.440 3.278 3.031 3.451 0.011 10 0 "[ . 1 . 2]" 1 79 1 16 GLN HE21 1 60 VAL MG1 . . 4.310 3.971 3.077 4.734 0.424 2 0 "[ . 1 . 2]" 1 80 1 16 GLN HE21 1 60 VAL MG2 . . 5.500 4.969 4.471 5.321 . 0 0 "[ . 1 . 2]" 1 81 1 16 GLN HE21 1 125 ALA HA . . 4.660 4.359 3.843 4.704 0.044 15 0 "[ . 1 . 2]" 1 82 1 16 GLN HE21 1 125 ALA MB . . 4.380 2.688 1.958 3.086 . 0 0 "[ . 1 . 2]" 1 83 1 16 GLN HE22 1 16 GLN HG3 . . 4.100 3.838 3.551 4.152 0.052 3 0 "[ . 1 . 2]" 1 84 1 16 GLN HE22 1 125 ALA MB . . 4.610 2.164 1.888 2.531 . 0 0 "[ . 1 . 2]" 1 85 1 16 GLN HG2 1 17 LYS H . . 4.690 4.210 3.791 4.667 . 0 0 "[ . 1 . 2]" 1 86 1 16 GLN HG2 1 18 PHE QE . . 4.530 3.575 2.996 4.114 . 0 0 "[ . 1 . 2]" 1 87 1 16 GLN HG2 1 125 ALA MB . . 4.640 4.181 3.722 4.603 . 0 0 "[ . 1 . 2]" 1 88 1 16 GLN HG3 1 17 LYS H . . 4.760 4.645 4.243 4.751 . 0 0 "[ . 1 . 2]" 1 89 1 16 GLN HG3 1 125 ALA MB . . 4.540 4.455 4.243 4.548 0.008 3 0 "[ . 1 . 2]" 1 90 1 17 LYS H 1 17 LYS HB2 . . 3.740 2.309 2.257 2.363 . 0 0 "[ . 1 . 2]" 1 91 1 17 LYS H 1 17 LYS HB3 . . 3.780 3.490 3.369 3.548 . 0 0 "[ . 1 . 2]" 1 92 1 17 LYS H 1 17 LYS HG2 . . 4.310 4.454 4.290 4.621 0.311 12 0 "[ . 1 . 2]" 1 93 1 17 LYS H 1 17 LYS HG3 . . 4.610 3.521 3.113 4.257 . 0 0 "[ . 1 . 2]" 1 94 1 17 LYS H 1 18 PHE H . . 4.820 4.438 4.380 4.492 . 0 0 "[ . 1 . 2]" 1 95 1 17 LYS H 1 18 PHE QD . . 5.410 4.850 4.747 4.946 . 0 0 "[ . 1 . 2]" 1 96 1 17 LYS HA 1 17 LYS HD2 . . 4.640 4.252 3.444 4.441 . 0 0 "[ . 1 . 2]" 1 97 1 17 LYS HA 1 17 LYS HE2 . . 4.830 4.927 4.639 5.336 0.506 17 1 "[ . 1 . + 2]" 1 98 1 17 LYS HA 1 17 LYS HG2 . . 4.150 2.712 2.489 3.440 . 0 0 "[ . 1 . 2]" 1 99 1 17 LYS HA 1 17 LYS HG3 . . 4.030 2.365 2.083 2.520 . 0 0 "[ . 1 . 2]" 1 100 1 17 LYS HA 1 18 PHE H . . 2.920 2.191 2.179 2.209 . 0 0 "[ . 1 . 2]" 1 101 1 17 LYS HA 1 18 PHE HB2 . . 4.980 4.324 4.255 4.440 . 0 0 "[ . 1 . 2]" 1 102 1 17 LYS HA 1 18 PHE QD . . 4.380 3.896 3.461 4.066 . 0 0 "[ . 1 . 2]" 1 103 1 17 LYS HA 1 57 ASN HB3 . . 4.950 3.874 3.711 4.139 . 0 0 "[ . 1 . 2]" 1 104 1 17 LYS HA 1 59 ASN HA . . 3.370 2.607 2.445 2.787 . 0 0 "[ . 1 . 2]" 1 105 1 17 LYS HA 1 59 ASN HB2 . . 4.990 4.532 4.335 4.719 . 0 0 "[ . 1 . 2]" 1 106 1 17 LYS HA 1 60 VAL H . . 4.090 3.947 3.691 4.100 0.010 11 0 "[ . 1 . 2]" 1 107 1 17 LYS HB2 1 17 LYS HE3 . . 4.660 2.945 1.984 3.487 . 0 0 "[ . 1 . 2]" 1 108 1 17 LYS HB2 1 18 PHE H . . 4.480 4.490 4.423 4.514 0.034 11 0 "[ . 1 . 2]" 1 109 1 17 LYS HB2 1 59 ASN HA . . 5.250 4.615 4.392 4.831 . 0 0 "[ . 1 . 2]" 1 110 1 17 LYS HB3 1 17 LYS HE3 . . 4.530 4.089 3.413 4.528 . 0 0 "[ . 1 . 2]" 1 111 1 17 LYS HB3 1 18 PHE H . . 4.230 3.504 3.367 3.566 . 0 0 "[ . 1 . 2]" 1 112 1 17 LYS HB3 1 57 ASN HB3 . . 4.620 2.991 2.801 3.256 . 0 0 "[ . 1 . 2]" 1 113 1 17 LYS HB3 1 59 ASN HA . . 4.650 4.564 4.314 4.659 0.009 4 0 "[ . 1 . 2]" 1 114 1 17 LYS HD2 1 17 LYS HE3 . . 2.780 2.620 2.414 2.940 0.160 12 0 "[ . 1 . 2]" 1 115 1 17 LYS HE2 1 17 LYS HG2 . . 3.430 3.377 3.009 3.989 0.559 17 5 "[ . *1* .-+ *]" 1 116 1 17 LYS HE2 1 17 LYS HG3 . . 3.450 2.822 2.278 4.204 0.754 12 3 "[* . 1 + . - 2]" 1 117 1 17 LYS HE3 1 59 ASN HD21 . . 4.950 4.287 3.125 5.229 0.279 9 0 "[ . 1 . 2]" 1 118 1 17 LYS HE3 1 59 ASN HD22 . . 4.590 4.449 3.432 5.544 0.954 11 4 "[- . *1+ . * 2]" 1 119 1 17 LYS HG2 1 18 PHE H . . 4.620 4.107 3.662 4.727 0.107 18 0 "[ . 1 . 2]" 1 120 1 17 LYS HG2 1 57 ASN HB3 . . 5.020 2.796 2.316 3.622 . 0 0 "[ . 1 . 2]" 1 121 1 17 LYS HG2 1 59 ASN HA . . 4.940 2.995 2.539 3.910 . 0 0 "[ . 1 . 2]" 1 122 1 17 LYS HG2 1 59 ASN HB2 . . 4.450 3.208 2.691 3.832 . 0 0 "[ . 1 . 2]" 1 123 1 17 LYS HG3 1 18 PHE H . . 4.720 4.332 3.440 4.630 . 0 0 "[ . 1 . 2]" 1 124 1 17 LYS HG3 1 57 ASN HB3 . . 4.500 4.161 2.665 4.956 0.456 10 0 "[ . 1 . 2]" 1 125 1 17 LYS HG3 1 59 ASN HA . . 4.650 2.320 2.160 2.517 . 0 0 "[ . 1 . 2]" 1 126 1 17 LYS HG3 1 59 ASN HB2 . . 5.080 3.278 2.970 3.513 . 0 0 "[ . 1 . 2]" 1 127 1 18 PHE H 1 18 PHE HB2 . . 3.850 2.432 2.367 2.498 . 0 0 "[ . 1 . 2]" 1 128 1 18 PHE H 1 18 PHE QD . . 3.620 3.155 2.758 3.360 . 0 0 "[ . 1 . 2]" 1 129 1 18 PHE H 1 57 ASN HA . . 5.020 3.891 3.701 4.187 . 0 0 "[ . 1 . 2]" 1 130 1 18 PHE H 1 57 ASN HB3 . . 4.710 3.682 3.460 3.916 . 0 0 "[ . 1 . 2]" 1 131 1 18 PHE H 1 58 MET H . . 3.950 2.078 1.918 2.352 . 0 0 "[ . 1 . 2]" 1 132 1 18 PHE H 1 58 MET HB2 . . 4.950 3.977 3.656 4.163 . 0 0 "[ . 1 . 2]" 1 133 1 18 PHE H 1 58 MET HB3 . . 4.580 2.782 2.694 2.918 . 0 0 "[ . 1 . 2]" 1 134 1 18 PHE H 1 58 MET HG2 . . 5.020 4.860 4.370 5.047 0.027 17 0 "[ . 1 . 2]" 1 135 1 18 PHE H 1 59 ASN HA . . 4.430 4.204 3.929 4.433 0.003 11 0 "[ . 1 . 2]" 1 136 1 18 PHE H 1 122 VAL MG2 . . 4.590 4.594 4.538 4.610 0.020 12 0 "[ . 1 . 2]" 1 137 1 18 PHE HB2 1 19 ARG H . . 4.600 4.455 4.334 4.529 . 0 0 "[ . 1 . 2]" 1 138 1 18 PHE HB2 1 20 VAL MG1 . . 3.730 2.853 2.713 3.139 . 0 0 "[ . 1 . 2]" 1 139 1 18 PHE HB2 1 20 VAL MG2 . . 4.980 4.050 3.636 4.294 . 0 0 "[ . 1 . 2]" 1 140 1 18 PHE HB2 1 57 ASN HA . . 5.180 4.973 4.816 5.105 . 0 0 "[ . 1 . 2]" 1 141 1 18 PHE HB2 1 58 MET H . . 4.760 3.189 2.997 3.392 . 0 0 "[ . 1 . 2]" 1 142 1 18 PHE HB2 1 58 MET HB2 . . 4.470 3.455 2.875 3.746 . 0 0 "[ . 1 . 2]" 1 143 1 18 PHE HB2 1 58 MET HB3 . . 4.090 2.237 2.006 2.490 . 0 0 "[ . 1 . 2]" 1 144 1 18 PHE HB2 1 122 VAL MG1 . . 4.770 3.916 3.398 4.221 . 0 0 "[ . 1 . 2]" 1 145 1 18 PHE HB2 1 122 VAL MG2 . . 3.780 2.568 2.434 2.625 . 0 0 "[ . 1 . 2]" 1 146 1 18 PHE HB3 1 19 ARG H . . 3.850 3.672 3.425 3.795 . 0 0 "[ . 1 . 2]" 1 147 1 18 PHE HB3 1 20 VAL MG1 . . 3.520 2.513 2.399 2.605 . 0 0 "[ . 1 . 2]" 1 148 1 18 PHE HB3 1 20 VAL MG2 . . 4.920 4.376 4.087 4.671 . 0 0 "[ . 1 . 2]" 1 149 1 18 PHE HB3 1 58 MET H . . 5.280 4.327 4.151 4.572 . 0 0 "[ . 1 . 2]" 1 150 1 18 PHE HB3 1 58 MET HB2 . . 5.090 4.718 4.333 5.067 . 0 0 "[ . 1 . 2]" 1 151 1 18 PHE HB3 1 58 MET HB3 . . 4.330 3.869 3.534 4.203 . 0 0 "[ . 1 . 2]" 1 152 1 18 PHE HB3 1 122 VAL MG2 . . 3.610 2.515 2.154 2.813 . 0 0 "[ . 1 . 2]" 1 153 1 18 PHE QD 1 19 ARG H . . 4.560 4.172 4.005 4.555 . 0 0 "[ . 1 . 2]" 1 154 1 18 PHE QD 1 20 VAL MG1 . . 4.150 4.080 3.957 4.159 0.009 10 0 "[ . 1 . 2]" 1 155 1 18 PHE QD 1 58 MET HB2 . . 4.840 4.679 4.007 4.848 0.008 11 0 "[ . 1 . 2]" 1 156 1 18 PHE QD 1 58 MET HB3 . . 4.100 3.042 2.353 3.212 . 0 0 "[ . 1 . 2]" 1 157 1 18 PHE QD 1 58 MET HG2 . . 4.160 3.962 3.686 4.168 0.008 20 0 "[ . 1 . 2]" 1 158 1 18 PHE QD 1 60 VAL MG2 . . 3.480 3.074 2.844 3.475 . 0 0 "[ . 1 . 2]" 1 159 1 18 PHE QD 1 121 ASN HB3 . . 5.030 4.842 4.168 5.343 0.313 18 0 "[ . 1 . 2]" 1 160 1 18 PHE QD 1 122 VAL HA . . 4.090 3.652 3.311 3.921 . 0 0 "[ . 1 . 2]" 1 161 1 18 PHE QD 1 122 VAL MG1 . . 4.530 3.905 3.594 4.192 . 0 0 "[ . 1 . 2]" 1 162 1 18 PHE QD 1 122 VAL MG2 . . 3.400 2.661 2.429 2.802 . 0 0 "[ . 1 . 2]" 1 163 1 18 PHE QD 1 125 ALA MB . . 4.100 3.856 3.522 4.046 . 0 0 "[ . 1 . 2]" 1 164 1 18 PHE QE 1 60 VAL HB . . 4.360 3.912 2.959 4.355 . 0 0 "[ . 1 . 2]" 1 165 1 18 PHE QE 1 60 VAL MG2 . . 4.100 3.431 2.557 3.849 . 0 0 "[ . 1 . 2]" 1 166 1 18 PHE QE 1 121 ASN HB2 . . 4.010 3.853 2.584 4.174 0.164 17 0 "[ . 1 . 2]" 1 167 1 18 PHE QE 1 121 ASN HB3 . . 4.270 3.347 2.890 4.021 . 0 0 "[ . 1 . 2]" 1 168 1 18 PHE QE 1 122 VAL HA . . 3.960 3.436 3.214 3.671 . 0 0 "[ . 1 . 2]" 1 169 1 18 PHE QE 1 122 VAL MG2 . . 3.850 3.421 3.317 3.554 . 0 0 "[ . 1 . 2]" 1 170 1 18 PHE QE 1 125 ALA MB . . 3.760 2.437 2.162 2.697 . 0 0 "[ . 1 . 2]" 1 171 1 18 PHE HZ 1 125 ALA MB . . 4.240 3.285 2.395 3.785 . 0 0 "[ . 1 . 2]" 1 172 1 19 ARG H 1 19 ARG HB2 . . 3.600 2.331 2.160 2.869 . 0 0 "[ . 1 . 2]" 1 173 1 19 ARG H 1 19 ARG HB3 . . 3.700 2.680 2.244 2.862 . 0 0 "[ . 1 . 2]" 1 174 1 19 ARG H 1 19 ARG QG . . 4.260 3.805 3.766 3.850 . 0 0 "[ . 1 . 2]" 1 175 1 19 ARG H 1 20 VAL MG1 . . 4.590 3.933 3.814 4.048 . 0 0 "[ . 1 . 2]" 1 176 1 19 ARG HA 1 19 ARG HD3 . . 4.150 4.153 4.004 4.224 0.074 11 0 "[ . 1 . 2]" 1 177 1 19 ARG HA 1 19 ARG QG . . 3.450 2.274 2.133 2.624 . 0 0 "[ . 1 . 2]" 1 178 1 19 ARG HA 1 20 VAL H . . 2.880 2.254 2.233 2.264 . 0 0 "[ . 1 . 2]" 1 179 1 19 ARG HA 1 20 VAL MG1 . . 4.720 3.822 3.572 4.066 . 0 0 "[ . 1 . 2]" 1 180 1 19 ARG HA 1 20 VAL MG2 . . 4.240 3.955 3.717 4.132 . 0 0 "[ . 1 . 2]" 1 181 1 19 ARG HA 1 56 VAL H . . 5.010 4.854 4.705 4.952 . 0 0 "[ . 1 . 2]" 1 182 1 19 ARG HA 1 56 VAL MG2 . . 4.560 4.584 4.572 4.604 0.044 20 0 "[ . 1 . 2]" 1 183 1 19 ARG HA 1 57 ASN HA . . 3.510 2.209 1.988 2.425 . 0 0 "[ . 1 . 2]" 1 184 1 19 ARG HA 1 57 ASN HB3 . . 4.920 4.214 4.023 4.444 . 0 0 "[ . 1 . 2]" 1 185 1 19 ARG HA 1 58 MET H . . 4.370 3.815 3.575 3.997 . 0 0 "[ . 1 . 2]" 1 186 1 19 ARG HB2 1 19 ARG HD2 . . 3.830 3.005 2.747 3.125 . 0 0 "[ . 1 . 2]" 1 187 1 19 ARG HB3 1 19 ARG HD2 . . 3.390 2.526 1.985 3.917 0.527 10 1 "[ . + . 2]" 1 188 1 19 ARG HB3 1 20 VAL H . . 4.570 4.383 4.272 4.588 0.018 10 0 "[ . 1 . 2]" 1 189 1 19 ARG HD3 1 20 VAL H . . 4.950 4.990 4.673 5.768 0.818 11 5 "[ . * -+* *. 2]" 1 190 1 19 ARG QG 1 20 VAL H . . 3.650 3.246 3.003 3.351 . 0 0 "[ . 1 . 2]" 1 191 1 19 ARG QG 1 20 VAL HA . . 4.810 4.328 3.457 4.670 . 0 0 "[ . 1 . 2]" 1 192 1 19 ARG QG 1 56 VAL H . . 4.910 4.089 3.962 4.203 . 0 0 "[ . 1 . 2]" 1 193 1 19 ARG QG 1 57 ASN HA . . 4.680 3.843 3.510 4.441 . 0 0 "[ . 1 . 2]" 1 194 1 20 VAL H 1 20 VAL MG1 . . 3.780 2.840 2.689 3.034 . 0 0 "[ . 1 . 2]" 1 195 1 20 VAL H 1 20 VAL MG2 . . 3.230 2.125 1.970 2.334 . 0 0 "[ . 1 . 2]" 1 196 1 20 VAL H 1 21 GLN H . . 5.030 4.464 4.431 4.484 . 0 0 "[ . 1 . 2]" 1 197 1 20 VAL H 1 55 SER HA . . 4.970 4.890 4.735 4.981 0.011 10 0 "[ . 1 . 2]" 1 198 1 20 VAL H 1 56 VAL H . . 4.080 3.610 3.479 3.693 . 0 0 "[ . 1 . 2]" 1 199 1 20 VAL H 1 57 ASN HA . . 4.000 2.672 2.538 2.827 . 0 0 "[ . 1 . 2]" 1 200 1 20 VAL HA 1 20 VAL MG1 . . 3.120 2.360 2.202 2.470 . 0 0 "[ . 1 . 2]" 1 201 1 20 VAL HA 1 20 VAL MG2 . . 3.650 3.213 3.203 3.219 . 0 0 "[ . 1 . 2]" 1 202 1 20 VAL HA 1 21 GLN H . . 3.130 2.410 2.376 2.468 . 0 0 "[ . 1 . 2]" 1 203 1 20 VAL HA 1 21 GLN HG3 . . 4.380 4.077 3.709 4.234 . 0 0 "[ . 1 . 2]" 1 204 1 20 VAL HA 1 115 CYS HA . . 4.080 3.442 3.079 3.670 . 0 0 "[ . 1 . 2]" 1 205 1 20 VAL HA 1 116 GLU H . . 4.830 4.788 4.574 4.843 0.013 8 0 "[ . 1 . 2]" 1 206 1 20 VAL HB 1 21 GLN H . . 3.190 2.652 2.489 2.729 . 0 0 "[ . 1 . 2]" 1 207 1 20 VAL HB 1 113 PHE HB3 . . 4.390 2.741 2.501 3.143 . 0 0 "[ . 1 . 2]" 1 208 1 20 VAL HB 1 113 PHE QD . . 4.960 4.214 3.979 4.537 . 0 0 "[ . 1 . 2]" 1 209 1 20 VAL HB 1 114 TRP H . . 4.040 2.704 2.479 3.051 . 0 0 "[ . 1 . 2]" 1 210 1 20 VAL HB 1 115 CYS HA . . 4.550 3.151 2.672 3.353 . 0 0 "[ . 1 . 2]" 1 211 1 20 VAL MG1 1 21 GLN H . . 3.970 3.919 3.734 3.990 0.020 9 0 "[ . 1 . 2]" 1 212 1 20 VAL MG1 1 58 MET H . . 4.880 3.738 3.431 4.103 . 0 0 "[ . 1 . 2]" 1 213 1 20 VAL MG1 1 113 PHE HB3 . . 4.340 3.737 3.490 3.974 . 0 0 "[ . 1 . 2]" 1 214 1 20 VAL MG1 1 115 CYS HA . . 3.590 2.126 1.834 2.436 . 0 0 "[ . 1 . 2]" 1 215 1 20 VAL MG1 1 115 CYS HB3 . . 4.350 2.625 2.385 2.871 . 0 0 "[ . 1 . 2]" 1 216 1 20 VAL MG1 1 116 GLU H . . 4.350 3.452 3.023 3.794 . 0 0 "[ . 1 . 2]" 1 217 1 20 VAL MG1 1 122 VAL MG1 . . 4.110 3.283 2.569 3.706 . 0 0 "[ . 1 . 2]" 1 218 1 20 VAL MG1 1 122 VAL MG2 . . 3.040 2.603 2.440 2.903 . 0 0 "[ . 1 . 2]" 1 219 1 20 VAL MG2 1 21 GLN H . . 3.580 3.429 3.157 3.572 . 0 0 "[ . 1 . 2]" 1 220 1 20 VAL MG2 1 21 GLN HA . . 4.650 4.091 3.959 4.228 . 0 0 "[ . 1 . 2]" 1 221 1 20 VAL MG2 1 56 VAL H . . 4.070 3.855 3.705 3.971 . 0 0 "[ . 1 . 2]" 1 222 1 20 VAL MG2 1 57 ASN H . . 4.910 4.608 4.460 4.771 . 0 0 "[ . 1 . 2]" 1 223 1 20 VAL MG2 1 57 ASN HA . . 4.480 3.449 3.250 3.669 . 0 0 "[ . 1 . 2]" 1 224 1 20 VAL MG2 1 58 MET H . . 4.170 3.420 3.238 3.613 . 0 0 "[ . 1 . 2]" 1 225 1 20 VAL MG2 1 58 MET HB2 . . 3.640 2.394 2.140 2.624 . 0 0 "[ . 1 . 2]" 1 226 1 20 VAL MG2 1 58 MET HB3 . . 3.890 3.546 3.260 3.882 . 0 0 "[ . 1 . 2]" 1 227 1 20 VAL MG2 1 113 PHE HA . . 4.500 3.964 3.750 4.222 . 0 0 "[ . 1 . 2]" 1 228 1 20 VAL MG2 1 113 PHE HB2 . . 4.310 3.451 3.178 3.639 . 0 0 "[ . 1 . 2]" 1 229 1 20 VAL MG2 1 113 PHE HB3 . . 3.740 2.253 2.026 2.489 . 0 0 "[ . 1 . 2]" 1 230 1 20 VAL MG2 1 113 PHE QD . . 3.160 2.476 2.240 2.671 . 0 0 "[ . 1 . 2]" 1 231 1 20 VAL MG2 1 113 PHE QE . . 4.010 3.942 3.794 4.027 0.017 3 0 "[ . 1 . 2]" 1 232 1 20 VAL MG2 1 114 TRP H . . 4.860 3.378 3.186 3.581 . 0 0 "[ . 1 . 2]" 1 233 1 21 GLN H 1 21 GLN HB2 . . 3.650 2.233 2.194 2.358 . 0 0 "[ . 1 . 2]" 1 234 1 21 GLN H 1 21 GLN HB3 . . 4.180 3.497 3.460 3.574 . 0 0 "[ . 1 . 2]" 1 235 1 21 GLN H 1 21 GLN HG3 . . 3.730 2.998 2.675 3.120 . 0 0 "[ . 1 . 2]" 1 236 1 21 GLN H 1 22 TYR H . . 5.430 4.604 4.590 4.615 . 0 0 "[ . 1 . 2]" 1 237 1 21 GLN H 1 113 PHE QD . . 5.320 4.775 4.593 4.963 . 0 0 "[ . 1 . 2]" 1 238 1 21 GLN H 1 114 TRP HB3 . . 4.470 2.548 2.329 2.856 . 0 0 "[ . 1 . 2]" 1 239 1 21 GLN H 1 115 CYS HA . . 5.150 4.477 4.126 4.655 . 0 0 "[ . 1 . 2]" 1 240 1 21 GLN HA 1 21 GLN HG2 . . 3.270 2.460 2.325 2.718 . 0 0 "[ . 1 . 2]" 1 241 1 21 GLN HA 1 22 TYR H . . 3.230 2.338 2.281 2.479 . 0 0 "[ . 1 . 2]" 1 242 1 21 GLN HA 1 22 TYR HB2 . . 4.500 4.048 3.995 4.095 . 0 0 "[ . 1 . 2]" 1 243 1 21 GLN HA 1 53 TRP HB2 . . 5.020 4.323 4.241 4.425 . 0 0 "[ . 1 . 2]" 1 244 1 21 GLN HA 1 53 TRP HB3 . . 4.600 3.936 3.836 4.067 . 0 0 "[ . 1 . 2]" 1 245 1 21 GLN HA 1 55 SER HA . . 3.360 2.445 2.316 2.514 . 0 0 "[ . 1 . 2]" 1 246 1 21 GLN HA 1 55 SER HB3 . . 4.460 4.563 4.470 5.279 0.819 3 2 "[ + . 1 . - 2]" 1 247 1 21 GLN HA 1 56 VAL H . . 3.940 2.576 2.427 2.707 . 0 0 "[ . 1 . 2]" 1 248 1 21 GLN HA 1 56 VAL MG1 . . 4.730 3.695 3.509 3.801 . 0 0 "[ . 1 . 2]" 1 249 1 21 GLN HA 1 56 VAL MG2 . . 4.040 3.194 3.012 3.296 . 0 0 "[ . 1 . 2]" 1 250 1 21 GLN HB2 1 22 TYR H . . 4.860 4.161 3.767 4.310 . 0 0 "[ . 1 . 2]" 1 251 1 21 GLN HB2 1 23 LEU MD1 . . 4.030 3.643 3.495 3.740 . 0 0 "[ . 1 . 2]" 1 252 1 21 GLN HB2 1 53 TRP HB2 . . 4.170 3.381 3.186 3.453 . 0 0 "[ . 1 . 2]" 1 253 1 21 GLN HB2 1 53 TRP HB3 . . 4.110 3.657 3.398 3.804 . 0 0 "[ . 1 . 2]" 1 254 1 21 GLN HB2 1 53 TRP HE3 . . 4.040 2.953 2.732 3.096 . 0 0 "[ . 1 . 2]" 1 255 1 21 GLN HB2 1 114 TRP H . . 4.450 3.306 3.110 3.485 . 0 0 "[ . 1 . 2]" 1 256 1 21 GLN HB2 1 114 TRP HB2 . . 4.130 3.247 3.104 3.479 . 0 0 "[ . 1 . 2]" 1 257 1 21 GLN HB2 1 114 TRP HB3 . . 3.780 1.990 1.978 1.998 . 0 0 "[ . 1 . 2]" 1 258 1 21 GLN HB3 1 21 GLN HE21 . . 4.450 3.237 2.918 3.481 . 0 0 "[ . 1 . 2]" 1 259 1 21 GLN HB3 1 21 GLN HE22 . . 5.120 4.094 3.965 4.220 . 0 0 "[ . 1 . 2]" 1 260 1 21 GLN HB3 1 22 TYR H . . 4.170 2.941 2.503 3.155 . 0 0 "[ . 1 . 2]" 1 261 1 21 GLN HB3 1 23 LEU MD1 . . 4.310 3.767 3.656 4.073 . 0 0 "[ . 1 . 2]" 1 262 1 21 GLN HB3 1 53 TRP H . . 4.850 4.561 4.473 4.642 . 0 0 "[ . 1 . 2]" 1 263 1 21 GLN HB3 1 53 TRP HB2 . . 3.980 2.003 1.991 2.083 . 0 0 "[ . 1 . 2]" 1 264 1 21 GLN HB3 1 53 TRP HB3 . . 3.830 2.010 1.989 2.122 . 0 0 "[ . 1 . 2]" 1 265 1 21 GLN HB3 1 53 TRP HE3 . . 3.940 2.829 2.544 3.141 . 0 0 "[ . 1 . 2]" 1 266 1 21 GLN HB3 1 55 SER HA . . 4.930 4.514 4.188 4.743 . 0 0 "[ . 1 . 2]" 1 267 1 21 GLN HB3 1 114 TRP HB3 . . 4.310 3.574 3.479 3.665 . 0 0 "[ . 1 . 2]" 1 268 1 21 GLN HE21 1 21 GLN HG2 . . 3.560 2.142 2.103 2.226 . 0 0 "[ . 1 . 2]" 1 269 1 21 GLN HE21 1 50 LYS HG2 . . 5.450 4.863 4.194 5.254 . 0 0 "[ . 1 . 2]" 1 270 1 21 GLN HE21 1 53 TRP H . . 4.440 3.418 3.075 3.726 . 0 0 "[ . 1 . 2]" 1 271 1 21 GLN HE21 1 53 TRP HB2 . . 4.130 2.445 2.097 2.837 . 0 0 "[ . 1 . 2]" 1 272 1 21 GLN HE21 1 53 TRP HB3 . . 4.310 3.857 3.513 4.207 . 0 0 "[ . 1 . 2]" 1 273 1 21 GLN HE21 1 53 TRP HE3 . . 4.870 3.876 3.209 4.374 . 0 0 "[ . 1 . 2]" 1 274 1 21 GLN HE22 1 21 GLN HG2 . . 4.080 3.461 3.446 3.495 . 0 0 "[ . 1 . 2]" 1 275 1 21 GLN HE22 1 50 LYS HG2 . . 4.630 3.199 2.588 3.554 . 0 0 "[ . 1 . 2]" 1 276 1 21 GLN HE22 1 50 LYS HG3 . . 4.740 2.865 2.232 3.307 . 0 0 "[ . 1 . 2]" 1 277 1 21 GLN HE22 1 53 TRP H . . 4.370 3.739 3.234 4.325 . 0 0 "[ . 1 . 2]" 1 278 1 21 GLN HE22 1 53 TRP HB2 . . 4.470 3.139 2.817 3.426 . 0 0 "[ . 1 . 2]" 1 279 1 21 GLN HE22 1 53 TRP HB3 . . 5.090 4.841 4.528 5.092 0.002 2 0 "[ . 1 . 2]" 1 280 1 21 GLN HE22 1 53 TRP HE3 . . 4.850 3.504 2.999 4.037 . 0 0 "[ . 1 . 2]" 1 281 1 21 GLN HG2 1 22 TYR H . . 4.160 3.709 3.596 3.959 . 0 0 "[ . 1 . 2]" 1 282 1 21 GLN HG2 1 53 TRP H . . 5.010 5.006 4.955 5.029 0.019 13 0 "[ . 1 . 2]" 1 283 1 21 GLN HG2 1 53 TRP HB2 . . 4.290 3.112 2.970 3.239 . 0 0 "[ . 1 . 2]" 1 284 1 21 GLN HG2 1 53 TRP HE3 . . 4.440 4.419 4.270 4.462 0.022 8 0 "[ . 1 . 2]" 1 285 1 21 GLN HG2 1 55 SER HA . . 3.610 2.721 2.549 2.849 . 0 0 "[ . 1 . 2]" 1 286 1 21 GLN HG2 1 55 SER HB3 . . 4.110 4.015 3.866 4.525 0.415 17 0 "[ . 1 . 2]" 1 287 1 21 GLN HG2 1 56 VAL H . . 4.660 4.357 4.218 4.544 . 0 0 "[ . 1 . 2]" 1 288 1 21 GLN HG3 1 114 TRP HB3 . . 4.040 4.050 4.002 4.071 0.031 13 0 "[ . 1 . 2]" 1 289 1 22 TYR H 1 22 TYR HB2 . . 3.470 2.342 2.229 2.530 . 0 0 "[ . 1 . 2]" 1 290 1 22 TYR H 1 22 TYR QD . . 4.740 4.125 4.095 4.181 . 0 0 "[ . 1 . 2]" 1 291 1 22 TYR H 1 53 TRP HB2 . . 5.170 4.030 3.734 4.205 . 0 0 "[ . 1 . 2]" 1 292 1 22 TYR H 1 53 TRP HB3 . . 4.490 2.812 2.505 2.994 . 0 0 "[ . 1 . 2]" 1 293 1 22 TYR H 1 54 PRO HG2 . . 5.030 3.641 3.577 3.709 . 0 0 "[ . 1 . 2]" 1 294 1 22 TYR H 1 54 PRO HG3 . . 5.080 4.940 4.860 5.024 . 0 0 "[ . 1 . 2]" 1 295 1 22 TYR H 1 55 SER HA . . 4.290 4.078 3.996 4.208 . 0 0 "[ . 1 . 2]" 1 296 1 22 TYR H 1 56 VAL H . . 5.070 3.734 3.589 4.010 . 0 0 "[ . 1 . 2]" 1 297 1 22 TYR H 1 56 VAL MG1 . . 4.350 3.066 2.898 3.354 . 0 0 "[ . 1 . 2]" 1 298 1 22 TYR H 1 56 VAL MG2 . . 3.710 3.142 2.894 3.439 . 0 0 "[ . 1 . 2]" 1 299 1 22 TYR HA 1 22 TYR QD . . 3.270 2.043 1.989 2.092 . 0 0 "[ . 1 . 2]" 1 300 1 22 TYR HA 1 22 TYR QE . . 4.260 4.317 4.301 4.338 0.078 2 0 "[ . 1 . 2]" 1 301 1 22 TYR HA 1 23 LEU H . . 3.180 2.219 2.190 2.235 . 0 0 "[ . 1 . 2]" 1 302 1 22 TYR HA 1 23 LEU HA . . 4.870 4.421 4.383 4.439 . 0 0 "[ . 1 . 2]" 1 303 1 22 TYR HA 1 23 LEU HB2 . . 4.770 4.303 4.275 4.365 . 0 0 "[ . 1 . 2]" 1 304 1 22 TYR HA 1 23 LEU MD1 . . 4.020 3.916 3.670 4.029 0.009 7 0 "[ . 1 . 2]" 1 305 1 22 TYR HA 1 24 GLY H . . 4.250 3.780 3.660 3.850 . 0 0 "[ . 1 . 2]" 1 306 1 22 TYR HA 1 53 TRP HB3 . . 4.800 4.261 4.190 4.391 . 0 0 "[ . 1 . 2]" 1 307 1 22 TYR HA 1 56 VAL MG1 . . 4.730 4.324 4.231 4.479 . 0 0 "[ . 1 . 2]" 1 308 1 22 TYR HA 1 56 VAL MG2 . . 4.470 3.430 3.268 3.602 . 0 0 "[ . 1 . 2]" 1 309 1 22 TYR HA 1 113 PHE HA . . 3.640 3.034 2.925 3.126 . 0 0 "[ . 1 . 2]" 1 310 1 22 TYR HA 1 113 PHE QD . . 4.000 2.370 2.151 2.560 . 0 0 "[ . 1 . 2]" 1 311 1 22 TYR HA 1 113 PHE QE . . 4.900 3.333 3.105 3.509 . 0 0 "[ . 1 . 2]" 1 312 1 22 TYR HA 1 114 TRP H . . 4.920 4.424 4.252 4.523 . 0 0 "[ . 1 . 2]" 1 313 1 22 TYR HB2 1 56 VAL MG1 . . 3.440 2.135 2.023 2.254 . 0 0 "[ . 1 . 2]" 1 314 1 22 TYR HB2 1 56 VAL MG2 . . 3.160 2.348 2.192 2.528 . 0 0 "[ . 1 . 2]" 1 315 1 22 TYR HB2 1 67 VAL MG1 . . 4.330 3.893 3.720 4.015 . 0 0 "[ . 1 . 2]" 1 316 1 22 TYR HB2 1 113 PHE QD . . 4.920 3.899 3.744 4.065 . 0 0 "[ . 1 . 2]" 1 317 1 22 TYR HB3 1 23 LEU H . . 4.700 4.339 4.229 4.391 . 0 0 "[ . 1 . 2]" 1 318 1 22 TYR HB3 1 24 GLY H . . 5.000 4.853 4.702 4.956 . 0 0 "[ . 1 . 2]" 1 319 1 22 TYR HB3 1 54 PRO HB2 . . 4.610 4.353 4.270 4.422 . 0 0 "[ . 1 . 2]" 1 320 1 22 TYR HB3 1 54 PRO HD2 . . 4.820 2.011 1.984 2.085 . 0 0 "[ . 1 . 2]" 1 321 1 22 TYR HB3 1 54 PRO HG2 . . 4.070 2.355 2.303 2.437 . 0 0 "[ . 1 . 2]" 1 322 1 22 TYR HB3 1 54 PRO HG3 . . 4.090 3.676 3.613 3.753 . 0 0 "[ . 1 . 2]" 1 323 1 22 TYR QD 1 23 LEU H . . 3.770 2.492 2.221 2.594 . 0 0 "[ . 1 . 2]" 1 324 1 22 TYR QD 1 23 LEU MD1 . . 4.650 4.537 4.271 4.661 0.011 14 0 "[ . 1 . 2]" 1 325 1 22 TYR QD 1 24 GLY H . . 3.770 2.259 2.139 2.346 . 0 0 "[ . 1 . 2]" 1 326 1 22 TYR QD 1 24 GLY HA2 . . 4.920 3.522 3.401 3.627 . 0 0 "[ . 1 . 2]" 1 327 1 22 TYR QD 1 54 PRO HG2 . . 4.180 3.333 3.232 3.370 . 0 0 "[ . 1 . 2]" 1 328 1 22 TYR QD 1 54 PRO HG3 . . 4.690 4.677 4.558 4.706 0.016 16 0 "[ . 1 . 2]" 1 329 1 22 TYR QD 1 56 VAL MG1 . . 3.550 2.508 2.248 2.673 . 0 0 "[ . 1 . 2]" 1 330 1 22 TYR QD 1 56 VAL MG2 . . 4.190 3.445 3.386 3.489 . 0 0 "[ . 1 . 2]" 1 331 1 22 TYR QD 1 67 VAL MG1 . . 4.330 3.460 3.293 3.557 . 0 0 "[ . 1 . 2]" 1 332 1 22 TYR QD 1 77 LEU MD1 . . 4.320 3.080 2.800 3.368 . 0 0 "[ . 1 . 2]" 1 333 1 22 TYR QD 1 77 LEU MD2 . . 3.530 3.430 3.157 3.537 0.007 19 0 "[ . 1 . 2]" 1 334 1 22 TYR QD 1 111 HIS HB3 . . 4.690 4.601 4.350 4.702 0.012 19 0 "[ . 1 . 2]" 1 335 1 22 TYR QD 1 112 VAL H . . 4.540 4.343 3.923 4.550 0.010 18 0 "[ . 1 . 2]" 1 336 1 22 TYR QD 1 113 PHE HA . . 4.550 4.086 3.988 4.199 . 0 0 "[ . 1 . 2]" 1 337 1 22 TYR QD 1 113 PHE QD . . 4.080 3.542 3.325 3.788 . 0 0 "[ . 1 . 2]" 1 338 1 22 TYR QD 1 113 PHE QE . . 3.930 3.190 2.932 3.401 . 0 0 "[ . 1 . 2]" 1 339 1 22 TYR QE 1 24 GLY H . . 4.010 3.094 2.975 3.149 . 0 0 "[ . 1 . 2]" 1 340 1 22 TYR QE 1 24 GLY HA2 . . 4.140 3.347 3.211 3.445 . 0 0 "[ . 1 . 2]" 1 341 1 22 TYR QE 1 24 GLY HA3 . . 4.640 4.644 4.578 4.665 0.025 3 0 "[ . 1 . 2]" 1 342 1 22 TYR QE 1 56 VAL MG2 . . 4.650 4.634 4.526 4.665 0.015 18 0 "[ . 1 . 2]" 1 343 1 22 TYR QE 1 67 VAL MG1 . . 4.650 3.686 3.328 3.880 . 0 0 "[ . 1 . 2]" 1 344 1 22 TYR QE 1 77 LEU HB2 . . 4.850 3.761 3.241 4.021 . 0 0 "[ . 1 . 2]" 1 345 1 22 TYR QE 1 77 LEU HB3 . . 4.270 2.719 2.431 3.063 . 0 0 "[ . 1 . 2]" 1 346 1 22 TYR QE 1 77 LEU MD1 . . 4.350 3.995 3.640 4.238 . 0 0 "[ . 1 . 2]" 1 347 1 22 TYR QE 1 77 LEU MD2 . . 3.750 3.668 3.314 3.764 0.014 2 0 "[ . 1 . 2]" 1 348 1 22 TYR QE 1 78 VAL HB . . 3.860 3.834 3.712 3.889 0.029 2 0 "[ . 1 . 2]" 1 349 1 22 TYR QE 1 78 VAL MG2 . . 3.910 2.258 1.991 2.682 . 0 0 "[ . 1 . 2]" 1 350 1 22 TYR QE 1 111 HIS HB3 . . 3.350 3.019 2.781 3.138 . 0 0 "[ . 1 . 2]" 1 351 1 22 TYR QE 1 112 VAL H . . 3.700 3.633 3.224 3.719 0.019 8 0 "[ . 1 . 2]" 1 352 1 22 TYR QE 1 113 PHE QE . . 4.250 3.485 3.263 3.676 . 0 0 "[ . 1 . 2]" 1 353 1 23 LEU H 1 23 LEU HB2 . . 3.830 2.127 2.096 2.192 . 0 0 "[ . 1 . 2]" 1 354 1 23 LEU H 1 23 LEU HB3 . . 4.130 3.430 3.404 3.472 . 0 0 "[ . 1 . 2]" 1 355 1 23 LEU H 1 23 LEU MD1 . . 3.270 2.433 2.244 2.744 . 0 0 "[ . 1 . 2]" 1 356 1 23 LEU H 1 23 LEU MD2 . . 4.340 4.268 4.184 4.350 0.010 5 0 "[ . 1 . 2]" 1 357 1 23 LEU H 1 23 LEU HG . . 5.030 3.555 3.379 3.672 . 0 0 "[ . 1 . 2]" 1 358 1 23 LEU H 1 24 GLY H . . 3.340 2.583 2.413 2.697 . 0 0 "[ . 1 . 2]" 1 359 1 23 LEU H 1 44 LEU MD1 . . 4.740 4.357 4.175 4.584 . 0 0 "[ . 1 . 2]" 1 360 1 23 LEU H 1 112 VAL H . . 5.220 4.609 4.124 4.973 . 0 0 "[ . 1 . 2]" 1 361 1 23 LEU H 1 112 VAL HB . . 4.820 3.901 3.686 4.142 . 0 0 "[ . 1 . 2]" 1 362 1 23 LEU H 1 112 VAL MG1 . . 4.580 3.611 3.459 3.712 . 0 0 "[ . 1 . 2]" 1 363 1 23 LEU H 1 113 PHE HA . . 3.770 2.623 2.452 2.820 . 0 0 "[ . 1 . 2]" 1 364 1 23 LEU H 1 113 PHE QD . . 4.970 3.827 3.605 4.015 . 0 0 "[ . 1 . 2]" 1 365 1 23 LEU H 1 114 TRP H . . 4.830 4.529 4.283 4.796 . 0 0 "[ . 1 . 2]" 1 366 1 23 LEU HA 1 23 LEU MD1 . . 3.470 3.266 3.214 3.321 . 0 0 "[ . 1 . 2]" 1 367 1 23 LEU HA 1 23 LEU MD2 . . 3.770 3.384 3.293 3.431 . 0 0 "[ . 1 . 2]" 1 368 1 23 LEU HA 1 23 LEU HG . . 3.250 2.163 2.137 2.215 . 0 0 "[ . 1 . 2]" 1 369 1 23 LEU HA 1 53 TRP HA . . 4.740 3.985 3.878 4.143 . 0 0 "[ . 1 . 2]" 1 370 1 23 LEU HA 1 53 TRP HB3 . . 4.490 3.231 3.103 3.387 . 0 0 "[ . 1 . 2]" 1 371 1 23 LEU HA 1 53 TRP HD1 . . 3.950 2.746 2.524 3.231 . 0 0 "[ . 1 . 2]" 1 372 1 23 LEU HA 1 53 TRP HE1 . . 4.800 3.448 3.203 3.833 . 0 0 "[ . 1 . 2]" 1 373 1 23 LEU HB2 1 23 LEU MD1 . . 3.450 2.009 1.961 2.120 . 0 0 "[ . 1 . 2]" 1 374 1 23 LEU HB2 1 23 LEU MD2 . . 3.360 2.811 2.763 2.845 . 0 0 "[ . 1 . 2]" 1 375 1 23 LEU HB2 1 24 GLY H . . 4.340 2.831 2.777 2.912 . 0 0 "[ . 1 . 2]" 1 376 1 23 LEU HB2 1 44 LEU HB3 . . 4.160 3.904 3.307 4.165 0.005 16 0 "[ . 1 . 2]" 1 377 1 23 LEU HB2 1 44 LEU MD1 . . 4.520 3.059 2.600 3.306 . 0 0 "[ . 1 . 2]" 1 378 1 23 LEU HB2 1 112 VAL H . . 5.040 3.984 3.815 4.208 . 0 0 "[ . 1 . 2]" 1 379 1 23 LEU HB2 1 112 VAL HB . . 3.760 2.281 2.109 2.507 . 0 0 "[ . 1 . 2]" 1 380 1 23 LEU HB2 1 112 VAL MG1 . . 3.860 1.997 1.962 2.217 . 0 0 "[ . 1 . 2]" 1 381 1 23 LEU HB3 1 23 LEU MD2 . . 3.120 2.006 1.934 2.157 . 0 0 "[ . 1 . 2]" 1 382 1 23 LEU HB3 1 24 GLY H . . 4.550 3.332 3.240 3.492 . 0 0 "[ . 1 . 2]" 1 383 1 23 LEU HB3 1 44 LEU HB2 . . 4.350 3.427 3.275 3.780 . 0 0 "[ . 1 . 2]" 1 384 1 23 LEU HB3 1 44 LEU MD1 . . 4.220 2.463 2.133 2.840 . 0 0 "[ . 1 . 2]" 1 385 1 23 LEU HB3 1 44 LEU MD2 . . 4.300 3.193 2.938 3.338 . 0 0 "[ . 1 . 2]" 1 386 1 23 LEU HB3 1 112 VAL HB . . 4.130 2.819 2.554 3.285 . 0 0 "[ . 1 . 2]" 1 387 1 23 LEU MD1 1 24 GLY H . . 4.560 4.224 4.101 4.307 . 0 0 "[ . 1 . 2]" 1 388 1 23 LEU MD1 1 53 TRP HB2 . . 4.820 4.395 4.331 4.465 . 0 0 "[ . 1 . 2]" 1 389 1 23 LEU MD1 1 53 TRP HB3 . . 3.910 3.895 3.853 3.921 0.011 1 0 "[ . 1 . 2]" 1 390 1 23 LEU MD1 1 53 TRP HE3 . . 3.840 3.294 2.809 3.524 . 0 0 "[ . 1 . 2]" 1 391 1 23 LEU MD1 1 53 TRP HH2 . . 4.570 4.084 3.641 4.340 . 0 0 "[ . 1 . 2]" 1 392 1 23 LEU MD1 1 53 TRP HZ3 . . 4.190 3.579 2.898 3.876 . 0 0 "[ . 1 . 2]" 1 393 1 23 LEU MD1 1 112 VAL H . . 5.310 4.982 4.828 5.219 . 0 0 "[ . 1 . 2]" 1 394 1 23 LEU MD1 1 112 VAL MG1 . . 3.310 1.964 1.852 2.109 . 0 0 "[ . 1 . 2]" 1 395 1 23 LEU MD1 1 113 PHE H . . 4.550 3.200 2.918 3.543 . 0 0 "[ . 1 . 2]" 1 396 1 23 LEU MD1 1 113 PHE HA . . 3.460 2.289 2.102 2.522 . 0 0 "[ . 1 . 2]" 1 397 1 23 LEU MD1 1 114 TRP H . . 3.420 3.157 2.948 3.383 . 0 0 "[ . 1 . 2]" 1 398 1 23 LEU MD1 1 114 TRP HA . . 4.160 3.511 3.336 3.728 . 0 0 "[ . 1 . 2]" 1 399 1 23 LEU MD1 1 114 TRP HB2 . . 3.240 2.276 2.161 2.528 . 0 0 "[ . 1 . 2]" 1 400 1 23 LEU MD1 1 114 TRP HB3 . . 3.510 3.284 3.036 3.475 . 0 0 "[ . 1 . 2]" 1 401 1 23 LEU MD1 1 114 TRP HE3 . . 3.780 2.957 2.738 3.191 . 0 0 "[ . 1 . 2]" 1 402 1 23 LEU MD2 1 41 ILE HA . . 4.700 3.801 3.643 3.953 . 0 0 "[ . 1 . 2]" 1 403 1 23 LEU MD2 1 41 ILE MG . . 3.980 2.951 2.737 3.220 . 0 0 "[ . 1 . 2]" 1 404 1 23 LEU MD2 1 44 LEU H . . 4.530 4.467 4.316 4.538 0.008 18 0 "[ . 1 . 2]" 1 405 1 23 LEU MD2 1 44 LEU HA . . 4.470 4.308 3.954 4.481 0.011 2 0 "[ . 1 . 2]" 1 406 1 23 LEU MD2 1 44 LEU HB2 . . 3.620 2.982 2.704 3.492 . 0 0 "[ . 1 . 2]" 1 407 1 23 LEU MD2 1 44 LEU HB3 . . 3.850 2.249 2.113 2.471 . 0 0 "[ . 1 . 2]" 1 408 1 23 LEU MD2 1 44 LEU MD2 . . 3.800 3.788 3.716 3.816 0.016 14 0 "[ . 1 . 2]" 1 409 1 23 LEU MD2 1 45 MET H . . 4.040 3.090 2.799 3.369 . 0 0 "[ . 1 . 2]" 1 410 1 23 LEU MD2 1 45 MET HA . . 3.310 2.454 1.871 2.810 . 0 0 "[ . 1 . 2]" 1 411 1 23 LEU MD2 1 45 MET HB2 . . 4.350 4.103 3.788 4.303 . 0 0 "[ . 1 . 2]" 1 412 1 23 LEU MD2 1 45 MET HB3 . . 4.800 4.362 3.588 4.680 . 0 0 "[ . 1 . 2]" 1 413 1 23 LEU MD2 1 45 MET ME . . 3.580 3.076 2.222 3.587 0.007 1 0 "[ . 1 . 2]" 1 414 1 23 LEU MD2 1 45 MET HG2 . . 3.540 2.340 1.848 2.560 . 0 0 "[ . 1 . 2]" 1 415 1 23 LEU MD2 1 45 MET HG3 . . 3.710 3.167 2.258 3.434 . 0 0 "[ . 1 . 2]" 1 416 1 23 LEU MD2 1 53 TRP HD1 . . 4.710 4.715 4.684 4.732 0.022 10 0 "[ . 1 . 2]" 1 417 1 23 LEU MD2 1 53 TRP HE1 . . 4.290 3.313 3.174 3.380 . 0 0 "[ . 1 . 2]" 1 418 1 23 LEU MD2 1 53 TRP HE3 . . 4.600 4.555 4.331 4.619 0.019 2 0 "[ . 1 . 2]" 1 419 1 23 LEU MD2 1 53 TRP HH2 . . 4.220 2.972 2.549 3.157 . 0 0 "[ . 1 . 2]" 1 420 1 23 LEU MD2 1 53 TRP HZ2 . . 3.600 2.335 2.192 2.417 . 0 0 "[ . 1 . 2]" 1 421 1 23 LEU MD2 1 53 TRP HZ3 . . 4.660 3.982 3.577 4.121 . 0 0 "[ . 1 . 2]" 1 422 1 23 LEU MD2 1 112 VAL HB . . 3.960 3.586 3.436 3.889 . 0 0 "[ . 1 . 2]" 1 423 1 23 LEU MD2 1 112 VAL MG1 . . 2.970 2.100 1.895 2.456 . 0 0 "[ . 1 . 2]" 1 424 1 23 LEU MD2 1 114 TRP HB2 . . 4.560 4.322 4.034 4.537 . 0 0 "[ . 1 . 2]" 1 425 1 23 LEU HG 1 53 TRP HD1 . . 4.610 3.897 3.804 4.055 . 0 0 "[ . 1 . 2]" 1 426 1 23 LEU HG 1 53 TRP HE1 . . 4.380 3.469 3.378 3.656 . 0 0 "[ . 1 . 2]" 1 427 1 23 LEU HG 1 53 TRP HE3 . . 4.830 3.793 3.545 3.966 . 0 0 "[ . 1 . 2]" 1 428 1 23 LEU HG 1 53 TRP HZ2 . . 4.870 3.597 3.527 3.688 . 0 0 "[ . 1 . 2]" 1 429 1 24 GLY H 1 25 MET H . . 4.730 4.312 4.206 4.403 . 0 0 "[ . 1 . 2]" 1 430 1 24 GLY H 1 44 LEU MD1 . . 4.350 2.848 2.508 3.275 . 0 0 "[ . 1 . 2]" 1 431 1 24 GLY H 1 44 LEU MD2 . . 4.780 4.045 3.815 4.350 . 0 0 "[ . 1 . 2]" 1 432 1 24 GLY H 1 112 VAL H . . 4.090 3.286 2.885 3.630 . 0 0 "[ . 1 . 2]" 1 433 1 24 GLY H 1 112 VAL HB . . 4.740 3.224 3.043 3.450 . 0 0 "[ . 1 . 2]" 1 434 1 24 GLY H 1 112 VAL MG1 . . 4.200 4.215 4.204 4.224 0.024 14 0 "[ . 1 . 2]" 1 435 1 24 GLY HA2 1 25 MET H . . 3.420 2.498 2.363 2.696 . 0 0 "[ . 1 . 2]" 1 436 1 24 GLY HA2 1 44 LEU MD1 . . 4.980 3.670 3.382 4.174 . 0 0 "[ . 1 . 2]" 1 437 1 24 GLY HA2 1 44 LEU MD2 . . 4.280 3.880 3.515 4.224 . 0 0 "[ . 1 . 2]" 1 438 1 24 GLY HA3 1 25 MET H . . 3.210 2.757 2.546 2.918 . 0 0 "[ . 1 . 2]" 1 439 1 24 GLY HA3 1 44 LEU MD1 . . 4.160 2.649 2.330 3.301 . 0 0 "[ . 1 . 2]" 1 440 1 24 GLY HA3 1 44 LEU MD2 . . 4.550 2.398 2.017 2.749 . 0 0 "[ . 1 . 2]" 1 441 1 25 MET H 1 25 MET HB2 . . 3.940 2.569 2.398 2.765 . 0 0 "[ . 1 . 2]" 1 442 1 25 MET H 1 25 MET HB3 . . 3.690 2.621 2.470 2.788 . 0 0 "[ . 1 . 2]" 1 443 1 25 MET H 1 25 MET ME . . 4.520 4.337 4.070 4.521 0.001 9 0 "[ . 1 . 2]" 1 444 1 25 MET H 1 25 MET HG2 . . 4.560 4.453 4.376 4.540 . 0 0 "[ . 1 . 2]" 1 445 1 25 MET H 1 25 MET HG3 . . 4.630 4.563 4.360 4.666 0.036 5 0 "[ . 1 . 2]" 1 446 1 25 MET H 1 26 LEU H . . 4.850 4.417 4.168 4.572 . 0 0 "[ . 1 . 2]" 1 447 1 25 MET H 1 44 LEU MD1 . . 4.460 3.771 3.220 4.131 . 0 0 "[ . 1 . 2]" 1 448 1 25 MET H 1 44 LEU MD2 . . 4.370 3.932 3.300 4.365 . 0 0 "[ . 1 . 2]" 1 449 1 25 MET HA 1 25 MET ME . . 4.580 4.245 3.989 4.480 . 0 0 "[ . 1 . 2]" 1 450 1 25 MET HA 1 25 MET HG2 . . 3.860 2.553 2.300 2.756 . 0 0 "[ . 1 . 2]" 1 451 1 25 MET HA 1 25 MET HG3 . . 4.280 3.019 2.549 3.624 . 0 0 "[ . 1 . 2]" 1 452 1 25 MET HA 1 26 LEU H . . 3.090 2.224 2.203 2.267 . 0 0 "[ . 1 . 2]" 1 453 1 25 MET HA 1 26 LEU HB3 . . 5.120 4.774 4.668 5.041 . 0 0 "[ . 1 . 2]" 1 454 1 25 MET HA 1 44 LEU MD1 . . 4.120 3.387 2.757 3.684 . 0 0 "[ . 1 . 2]" 1 455 1 25 MET HA 1 111 HIS HA . . 3.520 2.484 2.163 2.654 . 0 0 "[ . 1 . 2]" 1 456 1 25 MET HA 1 112 VAL H . . 4.400 3.389 3.226 3.567 . 0 0 "[ . 1 . 2]" 1 457 1 25 MET HA 1 112 VAL MG2 . . 4.310 4.225 3.842 4.323 0.013 3 0 "[ . 1 . 2]" 1 458 1 25 MET HB2 1 25 MET ME . . 3.950 3.281 3.089 3.591 . 0 0 "[ . 1 . 2]" 1 459 1 25 MET HB2 1 26 LEU H . . 4.580 4.481 4.291 4.615 0.035 17 0 "[ . 1 . 2]" 1 460 1 25 MET HB2 1 111 HIS HE1 . . 4.100 3.280 2.838 3.560 . 0 0 "[ . 1 . 2]" 1 461 1 25 MET HB3 1 25 MET ME . . 3.910 2.179 1.966 2.447 . 0 0 "[ . 1 . 2]" 1 462 1 25 MET HB3 1 26 LEU H . . 4.580 4.192 3.982 4.433 . 0 0 "[ . 1 . 2]" 1 463 1 25 MET HB3 1 111 HIS HE1 . . 4.710 4.477 3.901 4.715 0.005 2 0 "[ . 1 . 2]" 1 464 1 25 MET ME 1 26 LEU H . . 4.630 4.469 4.061 4.629 . 0 0 "[ . 1 . 2]" 1 465 1 25 MET ME 1 27 PRO HA . . 4.780 4.426 4.168 4.730 . 0 0 "[ . 1 . 2]" 1 466 1 25 MET ME 1 27 PRO HD3 . . 3.920 3.624 3.227 3.921 0.001 11 0 "[ . 1 . 2]" 1 467 1 25 MET ME 1 109 GLU HA . . 4.710 3.979 3.688 4.329 . 0 0 "[ . 1 . 2]" 1 468 1 25 MET ME 1 110 CYS H . . 4.630 4.548 4.332 4.639 0.009 9 0 "[ . 1 . 2]" 1 469 1 25 MET ME 1 111 HIS HE1 . . 4.430 4.291 4.049 4.438 0.008 18 0 "[ . 1 . 2]" 1 470 1 25 MET HG2 1 26 LEU H . . 3.870 3.049 2.645 3.336 . 0 0 "[ . 1 . 2]" 1 471 1 25 MET HG2 1 109 GLU HB3 . . 4.300 2.325 2.000 2.643 . 0 0 "[ . 1 . 2]" 1 472 1 25 MET HG2 1 110 CYS H . . 4.610 3.202 2.879 3.605 . 0 0 "[ . 1 . 2]" 1 473 1 25 MET HG2 1 111 HIS HE1 . . 4.390 4.197 3.518 4.400 0.010 17 0 "[ . 1 . 2]" 1 474 1 25 MET HG3 1 26 LEU H . . 4.360 4.149 3.720 4.373 0.013 9 0 "[ . 1 . 2]" 1 475 1 25 MET HG3 1 110 CYS H . . 4.990 4.282 3.934 4.711 . 0 0 "[ . 1 . 2]" 1 476 1 25 MET HG3 1 111 HIS HE1 . . 3.960 2.975 2.692 3.256 . 0 0 "[ . 1 . 2]" 1 477 1 26 LEU H 1 26 LEU HB2 . . 3.840 2.861 2.506 3.073 . 0 0 "[ . 1 . 2]" 1 478 1 26 LEU H 1 26 LEU HB3 . . 3.800 2.752 2.616 2.905 . 0 0 "[ . 1 . 2]" 1 479 1 26 LEU H 1 26 LEU MD1 . . 4.640 4.484 4.199 4.629 . 0 0 "[ . 1 . 2]" 1 480 1 26 LEU H 1 26 LEU MD2 . . 4.690 4.223 4.132 4.350 . 0 0 "[ . 1 . 2]" 1 481 1 26 LEU H 1 26 LEU HG . . 4.840 4.551 4.427 4.609 . 0 0 "[ . 1 . 2]" 1 482 1 26 LEU H 1 44 LEU MD1 . . 4.230 3.194 2.564 3.957 . 0 0 "[ . 1 . 2]" 1 483 1 26 LEU H 1 110 CYS H . . 3.970 3.063 2.636 3.448 . 0 0 "[ . 1 . 2]" 1 484 1 26 LEU H 1 110 CYS HB2 . . 4.960 4.793 4.482 4.967 0.007 3 0 "[ . 1 . 2]" 1 485 1 26 LEU H 1 110 CYS HB3 . . 4.490 3.381 3.213 3.548 . 0 0 "[ . 1 . 2]" 1 486 1 26 LEU H 1 112 VAL MG2 . . 4.420 3.773 3.481 4.034 . 0 0 "[ . 1 . 2]" 1 487 1 26 LEU HA 1 26 LEU MD1 . . 3.420 3.348 3.277 3.406 . 0 0 "[ . 1 . 2]" 1 488 1 26 LEU HA 1 26 LEU MD2 . . 3.450 3.392 3.220 3.436 . 0 0 "[ . 1 . 2]" 1 489 1 26 LEU HA 1 27 PRO HD2 . . 3.220 2.371 2.349 2.526 . 0 0 "[ . 1 . 2]" 1 490 1 26 LEU HA 1 27 PRO HD3 . . 3.060 1.918 1.912 1.921 . 0 0 "[ . 1 . 2]" 1 491 1 26 LEU HA 1 27 PRO HG2 . . 4.340 4.409 4.396 4.502 0.162 19 0 "[ . 1 . 2]" 1 492 1 26 LEU HB2 1 26 LEU MD2 . . 3.430 3.104 3.075 3.121 . 0 0 "[ . 1 . 2]" 1 493 1 26 LEU HB2 1 27 PRO HD2 . . 4.130 4.202 4.150 4.255 0.125 18 0 "[ . 1 . 2]" 1 494 1 26 LEU HB2 1 27 PRO HD3 . . 4.480 4.418 4.391 4.457 . 0 0 "[ . 1 . 2]" 1 495 1 26 LEU HB2 1 40 ALA HA . . 5.010 4.861 4.519 5.007 . 0 0 "[ . 1 . 2]" 1 496 1 26 LEU HB2 1 40 ALA MB . . 4.100 3.849 3.594 4.104 0.004 15 0 "[ . 1 . 2]" 1 497 1 26 LEU HB2 1 44 LEU MD1 . . 4.400 2.379 1.999 2.694 . 0 0 "[ . 1 . 2]" 1 498 1 26 LEU HB2 1 44 LEU MD2 . . 4.490 3.434 2.994 3.805 . 0 0 "[ . 1 . 2]" 1 499 1 26 LEU HB2 1 110 CYS H . . 5.500 5.401 5.204 5.510 0.010 16 0 "[ . 1 . 2]" 1 500 1 26 LEU HB3 1 26 LEU MD1 . . 3.250 2.808 2.741 2.870 . 0 0 "[ . 1 . 2]" 1 501 1 26 LEU HB3 1 26 LEU MD2 . . 3.330 2.173 2.064 2.204 . 0 0 "[ . 1 . 2]" 1 502 1 26 LEU HB3 1 27 PRO HD2 . . 4.570 4.160 3.631 4.260 . 0 0 "[ . 1 . 2]" 1 503 1 26 LEU HB3 1 27 PRO HD3 . . 4.760 4.635 4.332 4.690 . 0 0 "[ . 1 . 2]" 1 504 1 26 LEU HB3 1 40 ALA HA . . 5.150 3.983 3.708 4.149 . 0 0 "[ . 1 . 2]" 1 505 1 26 LEU HB3 1 40 ALA MB . . 3.940 2.591 2.293 2.848 . 0 0 "[ . 1 . 2]" 1 506 1 26 LEU HB3 1 44 LEU MD1 . . 3.770 3.261 2.706 3.682 . 0 0 "[ . 1 . 2]" 1 507 1 26 LEU HB3 1 110 CYS H . . 5.150 4.385 4.209 4.568 . 0 0 "[ . 1 . 2]" 1 508 1 26 LEU HB3 1 110 CYS HB2 . . 5.120 4.778 4.435 4.961 . 0 0 "[ . 1 . 2]" 1 509 1 26 LEU HB3 1 110 CYS HB3 . . 4.710 3.270 3.045 3.645 . 0 0 "[ . 1 . 2]" 1 510 1 26 LEU HB3 1 112 VAL MG2 . . 3.990 3.729 3.564 4.006 0.016 11 0 "[ . 1 . 2]" 1 511 1 26 LEU MD1 1 27 PRO HD2 . . 3.700 3.659 3.631 3.705 0.005 17 0 "[ . 1 . 2]" 1 512 1 26 LEU MD1 1 40 ALA HA . . 3.400 3.039 2.793 3.406 0.006 19 0 "[ . 1 . 2]" 1 513 1 26 LEU MD1 1 43 ASN H . . 4.640 4.264 4.055 4.498 . 0 0 "[ . 1 . 2]" 1 514 1 26 LEU MD1 1 43 ASN HB2 . . 3.580 2.964 2.672 3.310 . 0 0 "[ . 1 . 2]" 1 515 1 26 LEU MD1 1 43 ASN HB3 . . 3.500 1.978 1.877 2.161 . 0 0 "[ . 1 . 2]" 1 516 1 26 LEU MD1 1 43 ASN HD21 . . 4.130 2.517 1.873 3.504 . 0 0 "[ . 1 . 2]" 1 517 1 26 LEU MD1 1 43 ASN HD22 . . 4.200 3.205 2.593 3.780 . 0 0 "[ . 1 . 2]" 1 518 1 26 LEU MD1 1 44 LEU H . . 3.980 3.068 2.787 3.280 . 0 0 "[ . 1 . 2]" 1 519 1 26 LEU MD1 1 44 LEU HA . . 4.350 3.626 3.279 3.880 . 0 0 "[ . 1 . 2]" 1 520 1 26 LEU MD2 1 27 PRO HD2 . . 3.780 2.889 1.984 3.042 . 0 0 "[ . 1 . 2]" 1 521 1 26 LEU MD2 1 27 PRO HD3 . . 4.120 4.047 3.402 4.141 0.021 14 0 "[ . 1 . 2]" 1 522 1 26 LEU MD2 1 27 PRO HG2 . . 4.840 4.182 3.311 4.330 . 0 0 "[ . 1 . 2]" 1 523 1 26 LEU MD2 1 40 ALA HA . . 3.320 2.167 1.976 2.847 . 0 0 "[ . 1 . 2]" 1 524 1 26 LEU MD2 1 40 ALA MB . . 3.360 2.243 1.910 2.947 . 0 0 "[ . 1 . 2]" 1 525 1 26 LEU MD2 1 43 ASN HB2 . . 3.810 3.601 3.433 3.827 0.017 1 0 "[ . 1 . 2]" 1 526 1 26 LEU MD2 1 43 ASN HB3 . . 3.990 3.523 3.187 3.785 . 0 0 "[ . 1 . 2]" 1 527 1 26 LEU MD2 1 43 ASN HD21 . . 4.470 2.987 1.920 3.956 . 0 0 "[ . 1 . 2]" 1 528 1 26 LEU MD2 1 43 ASN HD22 . . 4.780 3.979 3.074 4.663 . 0 0 "[ . 1 . 2]" 1 529 1 26 LEU MD2 1 44 LEU H . . 4.670 4.681 4.670 4.703 0.033 19 0 "[ . 1 . 2]" 1 530 1 26 LEU MD2 1 110 CYS H . . 5.070 4.735 4.434 5.063 . 0 0 "[ . 1 . 2]" 1 531 1 26 LEU HG 1 27 PRO HD2 . . 4.490 1.982 1.970 1.992 . 0 0 "[ . 1 . 2]" 1 532 1 26 LEU HG 1 27 PRO HD3 . . 4.850 3.119 2.730 3.195 . 0 0 "[ . 1 . 2]" 1 533 1 27 PRO HA 1 28 VAL H . . 3.120 2.313 2.248 2.448 . 0 0 "[ . 1 . 2]" 1 534 1 27 PRO HA 1 28 VAL MG1 . . 4.580 3.344 3.092 3.572 . 0 0 "[ . 1 . 2]" 1 535 1 27 PRO HA 1 28 VAL MG2 . . 4.330 3.611 3.416 3.820 . 0 0 "[ . 1 . 2]" 1 536 1 27 PRO HA 1 109 GLU HA . . 3.330 2.556 2.160 2.851 . 0 0 "[ . 1 . 2]" 1 537 1 27 PRO HA 1 109 GLU HB3 . . 4.860 4.662 4.245 4.851 . 0 0 "[ . 1 . 2]" 1 538 1 27 PRO HA 1 110 CYS H . . 4.030 3.260 3.081 3.499 . 0 0 "[ . 1 . 2]" 1 539 1 27 PRO HB2 1 28 VAL H . . 4.100 3.044 2.680 3.237 . 0 0 "[ . 1 . 2]" 1 540 1 27 PRO HB3 1 28 VAL H . . 4.250 3.580 3.382 3.693 . 0 0 "[ . 1 . 2]" 1 541 1 27 PRO HG2 1 28 VAL H . . 5.240 4.974 4.700 5.109 . 0 0 "[ . 1 . 2]" 1 542 1 27 PRO HG3 1 28 VAL H . . 5.500 5.414 5.196 5.524 0.024 2 0 "[ . 1 . 2]" 1 543 1 28 VAL H 1 28 VAL MG1 . . 3.930 3.024 2.888 3.173 . 0 0 "[ . 1 . 2]" 1 544 1 28 VAL H 1 28 VAL MG2 . . 3.300 2.299 2.069 2.501 . 0 0 "[ . 1 . 2]" 1 545 1 28 VAL H 1 108 PHE H . . 4.740 3.788 3.430 4.482 . 0 0 "[ . 1 . 2]" 1 546 1 28 VAL H 1 108 PHE HB2 . . 4.770 3.209 2.888 3.562 . 0 0 "[ . 1 . 2]" 1 547 1 28 VAL H 1 108 PHE HB3 . . 4.970 4.546 4.182 4.978 0.008 11 0 "[ . 1 . 2]" 1 548 1 28 VAL H 1 109 GLU HA . . 4.010 3.791 3.258 4.022 0.012 18 0 "[ . 1 . 2]" 1 549 1 28 VAL H 1 110 CYS H . . 4.840 4.648 4.442 4.846 0.006 19 0 "[ . 1 . 2]" 1 550 1 28 VAL HB 1 29 ASP H . . 3.460 2.728 2.108 3.318 . 0 0 "[ . 1 . 2]" 1 551 1 28 VAL HB 1 30 ARG H . . 3.760 3.315 2.949 3.622 . 0 0 "[ . 1 . 2]" 1 552 1 28 VAL HB 1 36 THR MG . . 3.170 2.098 1.864 2.334 . 0 0 "[ . 1 . 2]" 1 553 1 28 VAL HB 1 100 ILE MD . . 4.500 3.790 3.325 4.122 . 0 0 "[ . 1 . 2]" 1 554 1 28 VAL MG1 1 29 ASP H . . 4.820 3.886 3.652 4.151 . 0 0 "[ . 1 . 2]" 1 555 1 28 VAL MG1 1 36 THR MG . . 3.200 2.313 1.955 2.715 . 0 0 "[ . 1 . 2]" 1 556 1 28 VAL MG1 1 40 ALA H . . 4.680 4.277 4.056 4.603 . 0 0 "[ . 1 . 2]" 1 557 1 28 VAL MG1 1 40 ALA MB . . 3.120 2.460 2.248 2.740 . 0 0 "[ . 1 . 2]" 1 558 1 28 VAL MG1 1 110 CYS H . . 4.040 3.593 3.142 3.993 . 0 0 "[ . 1 . 2]" 1 559 1 28 VAL MG1 1 110 CYS HB2 . . 3.350 2.447 2.036 2.848 . 0 0 "[ . 1 . 2]" 1 560 1 28 VAL MG1 1 110 CYS HB3 . . 3.460 2.831 2.507 3.161 . 0 0 "[ . 1 . 2]" 1 561 1 28 VAL MG2 1 29 ASP H . . 4.140 3.544 2.950 3.874 . 0 0 "[ . 1 . 2]" 1 562 1 28 VAL MG2 1 30 ARG H . . 3.620 3.619 3.581 3.637 0.017 9 0 "[ . 1 . 2]" 1 563 1 28 VAL MG2 1 36 THR MG . . 3.300 2.919 2.413 3.304 0.004 19 0 "[ . 1 . 2]" 1 564 1 28 VAL MG2 1 100 ILE HA . . 4.780 3.965 3.712 4.146 . 0 0 "[ . 1 . 2]" 1 565 1 28 VAL MG2 1 100 ILE HB . . 4.580 4.219 3.917 4.528 . 0 0 "[ . 1 . 2]" 1 566 1 28 VAL MG2 1 100 ILE MD . . 3.000 2.207 1.920 2.550 . 0 0 "[ . 1 . 2]" 1 567 1 28 VAL MG2 1 100 ILE HG12 . . 3.910 2.635 2.128 2.906 . 0 0 "[ . 1 . 2]" 1 568 1 28 VAL MG2 1 100 ILE HG13 . . 4.230 3.999 3.596 4.205 . 0 0 "[ . 1 . 2]" 1 569 1 28 VAL MG2 1 100 ILE MG . . 3.150 2.073 1.843 2.393 . 0 0 "[ . 1 . 2]" 1 570 1 28 VAL MG2 1 108 PHE H . . 4.720 4.278 3.843 4.704 . 0 0 "[ . 1 . 2]" 1 571 1 28 VAL MG2 1 108 PHE HA . . 4.900 4.581 4.177 4.845 . 0 0 "[ . 1 . 2]" 1 572 1 28 VAL MG2 1 108 PHE HB2 . . 3.460 2.392 1.920 2.769 . 0 0 "[ . 1 . 2]" 1 573 1 28 VAL MG2 1 108 PHE HB3 . . 3.410 2.991 2.617 3.316 . 0 0 "[ . 1 . 2]" 1 574 1 28 VAL MG2 1 108 PHE QD . . 4.380 3.227 2.894 3.510 . 0 0 "[ . 1 . 2]" 1 575 1 28 VAL MG2 1 109 GLU HA . . 4.380 3.882 3.505 4.216 . 0 0 "[ . 1 . 2]" 1 576 1 28 VAL MG2 1 110 CYS H . . 4.040 4.013 3.901 4.061 0.021 3 0 "[ . 1 . 2]" 1 577 1 28 VAL MG2 1 110 CYS HA . . 4.630 4.462 4.314 4.585 . 0 0 "[ . 1 . 2]" 1 578 1 28 VAL MG2 1 110 CYS HB2 . . 3.700 2.822 2.628 3.063 . 0 0 "[ . 1 . 2]" 1 579 1 29 ASP H 1 29 ASP HB2 . . 3.490 2.198 2.021 2.927 . 0 0 "[ . 1 . 2]" 1 580 1 29 ASP H 1 30 ARG H . . 3.370 2.414 2.004 2.701 . 0 0 "[ . 1 . 2]" 1 581 1 29 ASP H 1 36 THR MG . . 4.120 3.293 2.733 3.809 . 0 0 "[ . 1 . 2]" 1 582 1 29 ASP HB2 1 30 ARG H . . 4.030 2.918 2.298 4.007 . 0 0 "[ . 1 . 2]" 1 583 1 30 ARG H 1 30 ARG HB2 . . 3.750 2.139 2.050 2.294 . 0 0 "[ . 1 . 2]" 1 584 1 30 ARG H 1 30 ARG HB3 . . 4.150 3.335 3.109 3.545 . 0 0 "[ . 1 . 2]" 1 585 1 30 ARG H 1 30 ARG QD . . 4.670 4.440 4.355 4.572 . 0 0 "[ . 1 . 2]" 1 586 1 30 ARG H 1 30 ARG HG2 . . 3.850 3.639 3.333 4.154 0.304 9 0 "[ . 1 . 2]" 1 587 1 30 ARG H 1 36 THR MG . . 3.680 2.998 2.515 3.352 . 0 0 "[ . 1 . 2]" 1 588 1 30 ARG HA 1 30 ARG QD . . 3.990 3.036 2.446 3.752 . 0 0 "[ . 1 . 2]" 1 589 1 30 ARG HA 1 30 ARG HG2 . . 3.800 2.263 2.083 2.394 . 0 0 "[ . 1 . 2]" 1 590 1 30 ARG HA 1 31 PRO HD2 . . 3.290 2.381 2.282 2.607 . 0 0 "[ . 1 . 2]" 1 591 1 30 ARG HA 1 31 PRO HD3 . . 3.260 1.980 1.948 2.017 . 0 0 "[ . 1 . 2]" 1 592 1 30 ARG HA 1 31 PRO HG3 . . 4.390 4.237 4.219 4.257 . 0 0 "[ . 1 . 2]" 1 593 1 30 ARG HA 1 32 VAL MG2 . . 5.090 4.602 4.242 5.063 . 0 0 "[ . 1 . 2]" 1 594 1 30 ARG HA 1 108 PHE QD . . 4.900 4.486 4.027 4.897 . 0 0 "[ . 1 . 2]" 1 595 1 30 ARG HA 1 108 PHE QE . . 4.880 4.313 3.753 4.822 . 0 0 "[ . 1 . 2]" 1 596 1 30 ARG HB2 1 30 ARG QD . . 3.380 3.061 2.615 3.362 . 0 0 "[ . 1 . 2]" 1 597 1 30 ARG HB2 1 32 VAL H . . 4.360 4.154 3.605 4.361 0.001 14 0 "[ . 1 . 2]" 1 598 1 30 ARG HB2 1 36 THR MG . . 3.590 3.049 2.464 3.573 . 0 0 "[ . 1 . 2]" 1 599 1 30 ARG HB3 1 31 PRO HD2 . . 4.080 3.468 2.618 3.917 . 0 0 "[ . 1 . 2]" 1 600 1 30 ARG HB3 1 32 VAL H . . 3.950 2.601 2.261 2.769 . 0 0 "[ . 1 . 2]" 1 601 1 30 ARG HB3 1 36 THR MG . . 4.460 3.804 3.277 4.453 . 0 0 "[ . 1 . 2]" 1 602 1 30 ARG QD 1 32 VAL H . . 4.590 2.702 1.930 3.991 . 0 0 "[ . 1 . 2]" 1 603 1 30 ARG QD 1 32 VAL MG2 . . 4.220 2.598 1.930 3.340 . 0 0 "[ . 1 . 2]" 1 604 1 30 ARG HG2 1 31 PRO HD2 . . 4.230 3.521 2.077 3.811 . 0 0 "[ . 1 . 2]" 1 605 1 30 ARG HG2 1 32 VAL H . . 4.540 4.487 3.303 4.579 0.039 2 0 "[ . 1 . 2]" 1 606 1 31 PRO HA 1 100 ILE MD . . 4.020 2.640 2.056 3.306 . 0 0 "[ . 1 . 2]" 1 607 1 31 PRO HA 1 100 ILE MG . . 3.230 2.176 1.968 2.476 . 0 0 "[ . 1 . 2]" 1 608 1 31 PRO HA 1 108 PHE HB2 . . 5.130 4.020 3.492 4.721 . 0 0 "[ . 1 . 2]" 1 609 1 31 PRO HA 1 108 PHE HB3 . . 4.440 3.539 3.176 4.209 . 0 0 "[ . 1 . 2]" 1 610 1 31 PRO HA 1 108 PHE QD . . 4.410 3.647 3.306 4.278 . 0 0 "[ . 1 . 2]" 1 611 1 31 PRO HB2 1 32 VAL MG1 . . 4.270 2.766 2.537 3.055 . 0 0 "[ . 1 . 2]" 1 612 1 31 PRO HB2 1 86 SER QB . . 4.040 2.468 1.987 3.289 . 0 0 "[ . 1 . 2]" 1 613 1 31 PRO HB2 1 108 PHE QE . . 4.890 4.260 3.815 4.747 . 0 0 "[ . 1 . 2]" 1 614 1 31 PRO HB3 1 86 SER QB . . 4.600 3.302 2.623 3.861 . 0 0 "[ . 1 . 2]" 1 615 1 31 PRO HB3 1 100 ILE MG . . 4.570 3.325 2.801 4.039 . 0 0 "[ . 1 . 2]" 1 616 1 31 PRO HB3 1 108 PHE QD . . 4.740 3.291 2.991 3.625 . 0 0 "[ . 1 . 2]" 1 617 1 31 PRO HB3 1 108 PHE QE . . 4.620 3.131 2.824 3.655 . 0 0 "[ . 1 . 2]" 1 618 1 31 PRO HD2 1 32 VAL H . . 4.340 2.494 2.290 2.656 . 0 0 "[ . 1 . 2]" 1 619 1 31 PRO HD2 1 32 VAL MG2 . . 4.250 3.016 2.733 3.289 . 0 0 "[ . 1 . 2]" 1 620 1 31 PRO HD2 1 108 PHE QE . . 4.700 4.457 4.014 4.710 0.010 18 0 "[ . 1 . 2]" 1 621 1 31 PRO HD3 1 32 VAL H . . 4.780 3.733 3.658 3.802 . 0 0 "[ . 1 . 2]" 1 622 1 31 PRO HD3 1 32 VAL MG2 . . 4.800 4.509 4.296 4.756 . 0 0 "[ . 1 . 2]" 1 623 1 31 PRO HD3 1 108 PHE QE . . 4.040 2.881 2.379 3.187 . 0 0 "[ . 1 . 2]" 1 624 1 31 PRO HD3 1 108 PHE HZ . . 4.550 4.406 3.924 4.564 0.014 11 0 "[ . 1 . 2]" 1 625 1 31 PRO HG2 1 32 VAL H . . 4.000 3.551 3.137 3.792 . 0 0 "[ . 1 . 2]" 1 626 1 31 PRO HG2 1 32 VAL MG2 . . 4.100 3.242 2.941 3.572 . 0 0 "[ . 1 . 2]" 1 627 1 31 PRO HG3 1 108 PHE QD . . 4.840 4.172 3.777 4.741 . 0 0 "[ . 1 . 2]" 1 628 1 31 PRO HG3 1 108 PHE QE . . 4.610 2.791 2.233 3.259 . 0 0 "[ . 1 . 2]" 1 629 1 31 PRO HG3 1 108 PHE HZ . . 4.910 2.840 2.568 3.332 . 0 0 "[ . 1 . 2]" 1 630 1 32 VAL H 1 32 VAL MG1 . . 3.910 3.051 2.745 3.265 . 0 0 "[ . 1 . 2]" 1 631 1 32 VAL H 1 32 VAL MG2 . . 3.350 2.306 2.092 2.468 . 0 0 "[ . 1 . 2]" 1 632 1 32 VAL H 1 100 ILE MD . . 4.760 3.581 3.268 3.834 . 0 0 "[ . 1 . 2]" 1 633 1 32 VAL H 1 100 ILE MG . . 5.110 4.667 4.367 4.993 . 0 0 "[ . 1 . 2]" 1 634 1 32 VAL HA 1 32 VAL MG1 . . 3.230 2.325 2.176 2.495 . 0 0 "[ . 1 . 2]" 1 635 1 32 VAL HA 1 33 GLY H . . 3.530 2.482 2.256 2.766 . 0 0 "[ . 1 . 2]" 1 636 1 32 VAL HA 1 87 PHE HB3 . . 3.900 2.536 2.185 3.421 . 0 0 "[ . 1 . 2]" 1 637 1 32 VAL HA 1 87 PHE QD . . 4.170 3.348 2.952 3.619 . 0 0 "[ . 1 . 2]" 1 638 1 32 VAL HA 1 100 ILE MD . . 3.960 2.699 2.058 3.416 . 0 0 "[ . 1 . 2]" 1 639 1 32 VAL HB 1 33 GLY H . . 3.570 2.526 1.948 3.066 . 0 0 "[ . 1 . 2]" 1 640 1 32 VAL HB 1 33 GLY HA2 . . 4.720 4.191 3.950 4.326 . 0 0 "[ . 1 . 2]" 1 641 1 32 VAL HB 1 33 GLY HA3 . . 4.840 4.651 4.406 4.843 0.003 19 0 "[ . 1 . 2]" 1 642 1 32 VAL HB 1 87 PHE HB2 . . 4.290 3.511 2.957 4.295 0.005 19 0 "[ . 1 . 2]" 1 643 1 32 VAL HB 1 87 PHE QD . . 4.190 3.260 3.075 3.555 . 0 0 "[ . 1 . 2]" 1 644 1 32 VAL HB 1 87 PHE QE . . 4.430 4.092 3.754 4.368 . 0 0 "[ . 1 . 2]" 1 645 1 32 VAL MG1 1 33 GLY H . . 3.940 3.781 3.520 3.925 . 0 0 "[ . 1 . 2]" 1 646 1 32 VAL MG1 1 86 SER QB . . 4.410 2.921 2.509 3.893 . 0 0 "[ . 1 . 2]" 1 647 1 32 VAL MG1 1 87 PHE HA . . 4.410 4.071 3.772 4.320 . 0 0 "[ . 1 . 2]" 1 648 1 32 VAL MG1 1 87 PHE HB2 . . 3.340 1.965 1.815 2.124 . 0 0 "[ . 1 . 2]" 1 649 1 32 VAL MG1 1 87 PHE HB3 . . 3.900 3.132 2.689 3.362 . 0 0 "[ . 1 . 2]" 1 650 1 32 VAL MG1 1 87 PHE QD . . 3.570 2.716 2.177 3.013 . 0 0 "[ . 1 . 2]" 1 651 1 32 VAL MG1 1 87 PHE QE . . 4.490 4.375 3.727 4.501 0.011 8 0 "[ . 1 . 2]" 1 652 1 32 VAL MG2 1 33 GLY H . . 4.050 3.455 2.862 3.900 . 0 0 "[ . 1 . 2]" 1 653 1 32 VAL MG2 1 33 GLY HA2 . . 4.530 4.013 3.684 4.358 . 0 0 "[ . 1 . 2]" 1 654 1 32 VAL MG2 1 33 GLY HA3 . . 4.950 3.897 3.478 4.242 . 0 0 "[ . 1 . 2]" 1 655 1 32 VAL MG2 1 87 PHE QD . . 4.540 4.520 4.366 4.574 0.034 19 0 "[ . 1 . 2]" 1 656 1 33 GLY H 1 87 PHE QD . . 4.620 3.472 3.064 4.303 . 0 0 "[ . 1 . 2]" 1 657 1 33 GLY H 1 87 PHE QE . . 4.700 3.576 3.191 3.824 . 0 0 "[ . 1 . 2]" 1 658 1 33 GLY H 1 87 PHE HZ . . 4.850 4.126 3.756 4.466 . 0 0 "[ . 1 . 2]" 1 659 1 34 MET H 1 34 MET HG2 . . 5.070 3.167 2.350 3.623 . 0 0 "[ . 1 . 2]" 1 660 1 34 MET H 1 34 MET HG3 . . 4.650 3.262 2.750 4.030 . 0 0 "[ . 1 . 2]" 1 661 1 34 MET HA 1 34 MET ME . . 3.380 2.765 2.292 3.187 . 0 0 "[ . 1 . 2]" 1 662 1 34 MET HA 1 34 MET HG3 . . 4.130 3.482 3.216 3.738 . 0 0 "[ . 1 . 2]" 1 663 1 34 MET HA 1 37 LEU H . . 4.110 3.268 2.991 3.414 . 0 0 "[ . 1 . 2]" 1 664 1 34 MET HA 1 37 LEU HB2 . . 3.970 2.830 2.521 2.971 . 0 0 "[ . 1 . 2]" 1 665 1 34 MET HA 1 37 LEU HB3 . . 3.710 2.291 2.095 2.398 . 0 0 "[ . 1 . 2]" 1 666 1 34 MET HA 1 37 LEU MD1 . . 4.180 4.077 3.801 4.160 . 0 0 "[ . 1 . 2]" 1 667 1 34 MET HA 1 37 LEU MD2 . . 4.270 2.921 2.599 3.202 . 0 0 "[ . 1 . 2]" 1 668 1 34 MET HA 1 37 LEU HG . . 4.920 4.833 4.616 4.923 0.003 10 0 "[ . 1 . 2]" 1 669 1 34 MET HA 1 87 PHE QD . . 4.600 4.476 4.163 4.602 0.002 8 0 "[ . 1 . 2]" 1 670 1 34 MET HA 1 87 PHE QE . . 3.620 3.058 2.806 3.294 . 0 0 "[ . 1 . 2]" 1 671 1 34 MET HA 1 87 PHE HZ . . 4.700 4.641 4.446 4.706 0.006 13 0 "[ . 1 . 2]" 1 672 1 34 MET HB2 1 38 ASN HD21 . . 4.750 4.250 3.797 4.735 . 0 0 "[ . 1 . 2]" 1 673 1 34 MET HB2 1 38 ASN HD22 . . 5.060 4.468 3.901 5.060 . 0 0 "[ . 1 . 2]" 1 674 1 34 MET HB3 1 35 ASP H . . 5.030 3.407 2.606 3.711 . 0 0 "[ . 1 . 2]" 1 675 1 34 MET HB3 1 35 ASP HA . . 4.690 4.103 3.648 4.338 . 0 0 "[ . 1 . 2]" 1 676 1 34 MET HB3 1 38 ASN HD21 . . 4.840 2.881 2.357 3.389 . 0 0 "[ . 1 . 2]" 1 677 1 34 MET HB3 1 38 ASN HD22 . . 4.920 2.794 2.256 3.482 . 0 0 "[ . 1 . 2]" 1 678 1 34 MET ME 1 34 MET HG2 . . 3.360 2.330 1.976 3.354 . 0 0 "[ . 1 . 2]" 1 679 1 34 MET ME 1 34 MET HG3 . . 3.910 3.187 2.381 3.378 . 0 0 "[ . 1 . 2]" 1 680 1 34 MET ME 1 37 LEU MD1 . . 4.040 3.821 3.537 4.047 0.007 5 0 "[ . 1 . 2]" 1 681 1 34 MET ME 1 37 LEU MD2 . . 3.580 1.913 1.744 2.249 . 0 0 "[ . 1 . 2]" 1 682 1 34 MET ME 1 38 ASN H . . 4.370 4.092 3.595 4.371 0.001 19 0 "[ . 1 . 2]" 1 683 1 34 MET ME 1 38 ASN HD21 . . 3.940 3.534 2.778 3.893 . 0 0 "[ . 1 . 2]" 1 684 1 34 MET ME 1 38 ASN HD22 . . 3.640 2.655 2.081 3.397 . 0 0 "[ . 1 . 2]" 1 685 1 34 MET ME 1 87 PHE QE . . 4.820 2.868 2.067 3.866 . 0 0 "[ . 1 . 2]" 1 686 1 34 MET ME 1 87 PHE HZ . . 4.420 4.016 3.066 4.431 0.011 19 0 "[ . 1 . 2]" 1 687 1 34 MET ME 1 89 GLY H . . 5.030 4.542 4.001 5.027 . 0 0 "[ . 1 . 2]" 1 688 1 34 MET ME 1 89 GLY HA2 . . 4.330 3.520 3.072 3.958 . 0 0 "[ . 1 . 2]" 1 689 1 34 MET ME 1 89 GLY HA3 . . 3.640 2.218 1.835 2.768 . 0 0 "[ . 1 . 2]" 1 690 1 34 MET ME 1 90 VAL H . . 3.820 3.124 2.535 3.707 . 0 0 "[ . 1 . 2]" 1 691 1 34 MET HG2 1 87 PHE HZ . . 4.280 2.960 2.699 3.376 . 0 0 "[ . 1 . 2]" 1 692 1 34 MET HG3 1 87 PHE QE . . 4.480 3.738 3.049 4.471 . 0 0 "[ . 1 . 2]" 1 693 1 34 MET HG3 1 87 PHE HZ . . 3.920 3.316 2.749 4.210 0.290 8 0 "[ . 1 . 2]" 1 694 1 35 ASP H 1 36 THR H . . 4.290 3.099 3.043 3.193 . 0 0 "[ . 1 . 2]" 1 695 1 35 ASP HA 1 38 ASN H . . 4.150 3.915 3.716 4.120 . 0 0 "[ . 1 . 2]" 1 696 1 35 ASP HA 1 38 ASN HB2 . . 3.790 3.245 3.050 3.534 . 0 0 "[ . 1 . 2]" 1 697 1 35 ASP HA 1 38 ASN HD21 . . 4.230 3.077 2.371 3.577 . 0 0 "[ . 1 . 2]" 1 698 1 35 ASP HA 1 38 ASN HD22 . . 5.090 4.585 3.734 5.051 . 0 0 "[ . 1 . 2]" 1 699 1 35 ASP HA 1 39 SER H . . 4.300 3.946 3.717 4.160 . 0 0 "[ . 1 . 2]" 1 700 1 35 ASP HB2 1 36 THR H . . 4.490 2.583 2.103 3.462 . 0 0 "[ . 1 . 2]" 1 701 1 35 ASP HB3 1 36 THR H . . 4.180 2.560 1.952 3.267 . 0 0 "[ . 1 . 2]" 1 702 1 36 THR H 1 36 THR HB . . 3.470 2.228 2.135 2.339 . 0 0 "[ . 1 . 2]" 1 703 1 36 THR H 1 36 THR MG . . 4.300 3.655 3.623 3.674 . 0 0 "[ . 1 . 2]" 1 704 1 36 THR H 1 37 LEU H . . 3.650 2.814 2.630 2.920 . 0 0 "[ . 1 . 2]" 1 705 1 36 THR HA 1 36 THR MG . . 3.110 2.538 2.459 2.624 . 0 0 "[ . 1 . 2]" 1 706 1 36 THR HA 1 39 SER H . . 4.460 3.531 3.268 3.823 . 0 0 "[ . 1 . 2]" 1 707 1 36 THR HA 1 39 SER HB3 . . 4.020 2.735 2.131 3.349 . 0 0 "[ . 1 . 2]" 1 708 1 36 THR HB 1 37 LEU H . . 3.560 2.766 2.624 2.951 . 0 0 "[ . 1 . 2]" 1 709 1 36 THR HB 1 37 LEU HB2 . . 4.690 4.527 4.431 4.633 . 0 0 "[ . 1 . 2]" 1 710 1 36 THR HB 1 100 ILE MD . . 4.080 3.956 3.520 4.099 0.019 19 0 "[ . 1 . 2]" 1 711 1 36 THR MG 1 37 LEU H . . 4.130 3.327 3.054 3.646 . 0 0 "[ . 1 . 2]" 1 712 1 36 THR MG 1 37 LEU HA . . 4.200 3.437 3.242 3.632 . 0 0 "[ . 1 . 2]" 1 713 1 36 THR MG 1 100 ILE MD . . 3.170 3.021 2.845 3.168 . 0 0 "[ . 1 . 2]" 1 714 1 37 LEU H 1 37 LEU HB2 . . 3.630 2.348 2.255 2.381 . 0 0 "[ . 1 . 2]" 1 715 1 37 LEU H 1 37 LEU HB3 . . 3.810 2.528 2.489 2.638 . 0 0 "[ . 1 . 2]" 1 716 1 37 LEU H 1 37 LEU MD1 . . 3.970 3.941 3.845 3.973 0.003 15 0 "[ . 1 . 2]" 1 717 1 37 LEU H 1 37 LEU MD2 . . 4.370 4.210 4.148 4.280 . 0 0 "[ . 1 . 2]" 1 718 1 37 LEU H 1 37 LEU HG . . 4.390 4.404 4.382 4.412 0.022 2 0 "[ . 1 . 2]" 1 719 1 37 LEU H 1 38 ASN H . . 3.790 3.033 2.870 3.182 . 0 0 "[ . 1 . 2]" 1 720 1 37 LEU H 1 100 ILE MD . . 4.440 4.022 3.724 4.347 . 0 0 "[ . 1 . 2]" 1 721 1 37 LEU HA 1 37 LEU MD1 . . 3.210 2.730 2.550 2.984 . 0 0 "[ . 1 . 2]" 1 722 1 37 LEU HA 1 37 LEU MD2 . . 3.900 3.879 3.759 3.918 0.018 17 0 "[ . 1 . 2]" 1 723 1 37 LEU HA 1 37 LEU HG . . 3.610 2.676 2.511 2.770 . 0 0 "[ . 1 . 2]" 1 724 1 37 LEU HA 1 40 ALA H . . 4.310 3.653 3.222 3.862 . 0 0 "[ . 1 . 2]" 1 725 1 37 LEU HA 1 40 ALA MB . . 3.720 2.901 2.636 3.147 . 0 0 "[ . 1 . 2]" 1 726 1 37 LEU HA 1 41 ILE H . . 5.060 4.479 4.277 4.793 . 0 0 "[ . 1 . 2]" 1 727 1 37 LEU HA 1 98 ALA MB . . 4.550 4.237 3.974 4.450 . 0 0 "[ . 1 . 2]" 1 728 1 37 LEU HA 1 100 ILE MD . . 4.080 3.641 3.218 3.885 . 0 0 "[ . 1 . 2]" 1 729 1 37 LEU HB2 1 37 LEU MD2 . . 3.640 2.778 2.722 2.933 . 0 0 "[ . 1 . 2]" 1 730 1 37 LEU HB2 1 38 ASN H . . 4.000 3.704 3.596 3.896 . 0 0 "[ . 1 . 2]" 1 731 1 37 LEU HB2 1 87 PHE QD . . 4.350 3.657 3.359 3.876 . 0 0 "[ . 1 . 2]" 1 732 1 37 LEU HB2 1 87 PHE QE . . 4.440 3.920 3.431 4.192 . 0 0 "[ . 1 . 2]" 1 733 1 37 LEU HB3 1 37 LEU MD1 . . 3.370 3.093 3.006 3.122 . 0 0 "[ . 1 . 2]" 1 734 1 37 LEU HB3 1 37 LEU MD2 . . 3.460 2.103 1.960 2.177 . 0 0 "[ . 1 . 2]" 1 735 1 37 LEU HB3 1 38 ASN H . . 3.650 2.253 2.088 2.559 . 0 0 "[ . 1 . 2]" 1 736 1 37 LEU HB3 1 87 PHE QE . . 4.600 4.289 3.991 4.540 . 0 0 "[ . 1 . 2]" 1 737 1 37 LEU MD1 1 38 ASN H . . 4.860 4.639 4.529 4.822 . 0 0 "[ . 1 . 2]" 1 738 1 37 LEU MD1 1 87 PHE H . . 5.460 5.313 4.878 5.463 0.003 1 0 "[ . 1 . 2]" 1 739 1 37 LEU MD1 1 87 PHE QD . . 3.380 2.725 2.146 2.944 . 0 0 "[ . 1 . 2]" 1 740 1 37 LEU MD1 1 87 PHE QE . . 3.830 3.642 3.192 3.831 0.001 6 0 "[ . 1 . 2]" 1 741 1 37 LEU MD1 1 88 MET H . . 5.030 3.843 3.291 4.209 . 0 0 "[ . 1 . 2]" 1 742 1 37 LEU MD1 1 88 MET HA . . 3.820 1.980 1.893 2.143 . 0 0 "[ . 1 . 2]" 1 743 1 37 LEU MD1 1 89 GLY H . . 4.010 3.384 3.024 3.684 . 0 0 "[ . 1 . 2]" 1 744 1 37 LEU MD1 1 89 GLY HA3 . . 4.590 3.890 3.451 4.256 . 0 0 "[ . 1 . 2]" 1 745 1 37 LEU MD1 1 99 PHE HA . . 4.040 2.731 2.546 2.883 . 0 0 "[ . 1 . 2]" 1 746 1 37 LEU MD1 1 100 ILE H . . 4.230 3.417 2.931 3.620 . 0 0 "[ . 1 . 2]" 1 747 1 37 LEU MD1 1 100 ILE HG13 . . 3.970 2.420 1.847 2.743 . 0 0 "[ . 1 . 2]" 1 748 1 37 LEU MD2 1 38 ASN H . . 4.500 3.265 3.001 3.675 . 0 0 "[ . 1 . 2]" 1 749 1 37 LEU MD2 1 87 PHE QD . . 4.020 3.756 3.482 4.020 . 0 0 "[ . 1 . 2]" 1 750 1 37 LEU MD2 1 87 PHE QE . . 3.970 3.067 2.730 3.302 . 0 0 "[ . 1 . 2]" 1 751 1 37 LEU MD2 1 87 PHE HZ . . 5.190 5.020 4.671 5.196 0.006 14 0 "[ . 1 . 2]" 1 752 1 37 LEU MD2 1 88 MET HA . . 4.300 3.460 3.171 3.684 . 0 0 "[ . 1 . 2]" 1 753 1 37 LEU MD2 1 89 GLY H . . 3.640 3.275 2.971 3.486 . 0 0 "[ . 1 . 2]" 1 754 1 37 LEU MD2 1 89 GLY HA2 . . 4.170 3.790 3.598 4.009 . 0 0 "[ . 1 . 2]" 1 755 1 37 LEU MD2 1 89 GLY HA3 . . 3.490 2.557 2.305 2.878 . 0 0 "[ . 1 . 2]" 1 756 1 37 LEU MD2 1 90 VAL H . . 4.500 3.966 3.541 4.263 . 0 0 "[ . 1 . 2]" 1 757 1 37 LEU HG 1 98 ALA MB . . 3.590 2.688 2.375 3.080 . 0 0 "[ . 1 . 2]" 1 758 1 38 ASN H 1 38 ASN HB2 . . 3.430 2.379 2.150 2.570 . 0 0 "[ . 1 . 2]" 1 759 1 38 ASN H 1 38 ASN HB3 . . 3.790 3.536 3.449 3.560 . 0 0 "[ . 1 . 2]" 1 760 1 38 ASN H 1 38 ASN HD21 . . 4.490 2.319 1.908 2.982 . 0 0 "[ . 1 . 2]" 1 761 1 38 ASN H 1 38 ASN HD22 . . 4.980 3.493 3.156 4.171 . 0 0 "[ . 1 . 2]" 1 762 1 38 ASN H 1 39 SER H . . 3.520 2.860 2.717 2.974 . 0 0 "[ . 1 . 2]" 1 763 1 38 ASN H 1 40 ALA H . . 5.050 4.263 4.001 4.490 . 0 0 "[ . 1 . 2]" 1 764 1 38 ASN HA 1 41 ILE H . . 4.040 3.341 3.179 3.540 . 0 0 "[ . 1 . 2]" 1 765 1 38 ASN HA 1 41 ILE HB . . 3.410 2.674 2.500 2.805 . 0 0 "[ . 1 . 2]" 1 766 1 38 ASN HA 1 41 ILE MD . . 3.380 2.411 2.011 3.009 . 0 0 "[ . 1 . 2]" 1 767 1 38 ASN HA 1 41 ILE HG13 . . 4.130 3.541 3.134 3.924 . 0 0 "[ . 1 . 2]" 1 768 1 38 ASN HA 1 41 ILE MG . . 4.140 4.028 3.764 4.142 0.002 6 0 "[ . 1 . 2]" 1 769 1 38 ASN HA 1 42 GLU H . . 4.410 3.827 3.598 4.070 . 0 0 "[ . 1 . 2]" 1 770 1 38 ASN HB2 1 39 SER H . . 3.910 2.390 2.227 2.715 . 0 0 "[ . 1 . 2]" 1 771 1 38 ASN HB3 1 39 SER H . . 4.210 3.268 2.939 3.500 . 0 0 "[ . 1 . 2]" 1 772 1 39 SER H 1 39 SER HB2 . . 3.380 2.164 2.029 2.498 . 0 0 "[ . 1 . 2]" 1 773 1 39 SER H 1 39 SER HB3 . . 3.540 3.036 2.489 3.480 . 0 0 "[ . 1 . 2]" 1 774 1 39 SER H 1 40 ALA H . . 3.400 2.961 2.629 3.049 . 0 0 "[ . 1 . 2]" 1 775 1 39 SER H 1 40 ALA MB . . 4.730 4.487 4.252 4.579 . 0 0 "[ . 1 . 2]" 1 776 1 39 SER HA 1 42 GLU H . . 4.340 3.867 3.614 4.058 . 0 0 "[ . 1 . 2]" 1 777 1 39 SER HA 1 42 GLU QB . . 3.530 2.682 2.448 3.504 . 0 0 "[ . 1 . 2]" 1 778 1 39 SER HA 1 42 GLU QG . . 4.810 4.109 2.505 4.540 . 0 0 "[ . 1 . 2]" 1 779 1 39 SER HA 1 43 ASN H . . 4.700 4.102 3.922 4.311 . 0 0 "[ . 1 . 2]" 1 780 1 39 SER HB2 1 40 ALA H . . 3.910 3.438 2.701 3.972 0.062 13 0 "[ . 1 . 2]" 1 781 1 39 SER HB3 1 40 ALA H . . 3.970 2.730 2.518 3.158 . 0 0 "[ . 1 . 2]" 1 782 1 40 ALA H 1 40 ALA MB . . 3.040 2.079 1.939 2.161 . 0 0 "[ . 1 . 2]" 1 783 1 40 ALA H 1 41 ILE H . . 3.490 2.835 2.537 2.992 . 0 0 "[ . 1 . 2]" 1 784 1 40 ALA H 1 41 ILE HB . . 4.880 4.801 4.409 4.884 0.004 2 0 "[ . 1 . 2]" 1 785 1 40 ALA H 1 41 ILE HG13 . . 4.710 4.508 4.257 4.783 0.073 20 0 "[ . 1 . 2]" 1 786 1 40 ALA H 1 42 GLU H . . 4.890 4.566 4.265 4.777 . 0 0 "[ . 1 . 2]" 1 787 1 40 ALA HA 1 43 ASN H . . 4.080 3.572 3.383 3.845 . 0 0 "[ . 1 . 2]" 1 788 1 40 ALA HA 1 43 ASN HB2 . . 3.780 2.683 2.410 3.002 . 0 0 "[ . 1 . 2]" 1 789 1 40 ALA HA 1 43 ASN HB3 . . 3.700 3.356 2.886 3.665 . 0 0 "[ . 1 . 2]" 1 790 1 40 ALA HA 1 43 ASN HD21 . . 4.920 3.557 3.055 4.924 0.004 9 0 "[ . 1 . 2]" 1 791 1 40 ALA MB 1 41 ILE H . . 3.470 2.370 2.076 2.782 . 0 0 "[ . 1 . 2]" 1 792 1 40 ALA MB 1 41 ILE HA . . 4.660 3.740 3.631 3.879 . 0 0 "[ . 1 . 2]" 1 793 1 40 ALA MB 1 41 ILE HG13 . . 4.010 3.108 2.871 3.499 . 0 0 "[ . 1 . 2]" 1 794 1 40 ALA MB 1 42 GLU H . . 5.120 4.784 4.510 5.162 0.042 20 0 "[ . 1 . 2]" 1 795 1 40 ALA MB 1 44 LEU MD1 . . 4.440 3.939 3.350 4.254 . 0 0 "[ . 1 . 2]" 1 796 1 40 ALA MB 1 110 CYS HB2 . . 4.050 3.782 3.466 3.996 . 0 0 "[ . 1 . 2]" 1 797 1 40 ALA MB 1 110 CYS HB3 . . 3.780 2.980 2.760 3.144 . 0 0 "[ . 1 . 2]" 1 798 1 40 ALA MB 1 112 VAL MG2 . . 3.630 2.982 2.696 3.124 . 0 0 "[ . 1 . 2]" 1 799 1 41 ILE H 1 41 ILE HB . . 3.480 2.397 2.109 2.458 . 0 0 "[ . 1 . 2]" 1 800 1 41 ILE H 1 41 ILE MD . . 3.710 3.391 3.251 3.651 . 0 0 "[ . 1 . 2]" 1 801 1 41 ILE H 1 41 ILE HG12 . . 3.930 3.394 3.209 3.971 0.041 20 0 "[ . 1 . 2]" 1 802 1 41 ILE H 1 41 ILE HG13 . . 3.420 2.061 1.950 2.819 . 0 0 "[ . 1 . 2]" 1 803 1 41 ILE H 1 41 ILE MG . . 3.850 3.695 3.540 3.714 . 0 0 "[ . 1 . 2]" 1 804 1 41 ILE H 1 42 GLU H . . 3.700 3.038 2.892 3.224 . 0 0 "[ . 1 . 2]" 1 805 1 41 ILE H 1 42 GLU QB . . 4.920 4.618 4.452 4.768 . 0 0 "[ . 1 . 2]" 1 806 1 41 ILE H 1 98 ALA MB . . 4.800 4.218 3.986 4.455 . 0 0 "[ . 1 . 2]" 1 807 1 41 ILE H 1 112 VAL MG1 . . 4.610 4.450 4.230 4.611 0.001 8 0 "[ . 1 . 2]" 1 808 1 41 ILE H 1 112 VAL MG2 . . 4.170 3.411 3.097 3.663 . 0 0 "[ . 1 . 2]" 1 809 1 41 ILE HA 1 41 ILE MD . . 3.930 3.820 3.745 3.856 . 0 0 "[ . 1 . 2]" 1 810 1 41 ILE HA 1 41 ILE HG12 . . 3.620 2.539 2.412 2.647 . 0 0 "[ . 1 . 2]" 1 811 1 41 ILE HA 1 41 ILE HG13 . . 3.780 2.845 2.604 3.010 . 0 0 "[ . 1 . 2]" 1 812 1 41 ILE HA 1 41 ILE MG . . 3.200 2.466 2.412 2.670 . 0 0 "[ . 1 . 2]" 1 813 1 41 ILE HA 1 44 LEU H . . 4.540 3.429 3.336 3.524 . 0 0 "[ . 1 . 2]" 1 814 1 41 ILE HA 1 44 LEU HB2 . . 4.270 2.808 2.631 2.994 . 0 0 "[ . 1 . 2]" 1 815 1 41 ILE HA 1 44 LEU MD1 . . 4.140 3.467 3.132 3.889 . 0 0 "[ . 1 . 2]" 1 816 1 41 ILE HA 1 45 MET H . . 5.010 3.819 3.527 4.184 . 0 0 "[ . 1 . 2]" 1 817 1 41 ILE HA 1 98 ALA MB . . 4.510 4.261 3.967 4.516 0.006 9 0 "[ . 1 . 2]" 1 818 1 41 ILE HA 1 112 VAL HB . . 4.940 4.106 3.990 4.267 . 0 0 "[ . 1 . 2]" 1 819 1 41 ILE HA 1 112 VAL MG1 . . 3.330 2.439 2.150 2.789 . 0 0 "[ . 1 . 2]" 1 820 1 41 ILE HA 1 112 VAL MG2 . . 3.310 2.070 1.977 2.389 . 0 0 "[ . 1 . 2]" 1 821 1 41 ILE HB 1 41 ILE MD . . 3.240 2.271 2.090 2.387 . 0 0 "[ . 1 . 2]" 1 822 1 41 ILE HB 1 42 GLU H . . 3.440 2.308 2.210 2.472 . 0 0 "[ . 1 . 2]" 1 823 1 41 ILE HB 1 42 GLU HA . . 4.780 4.323 4.231 4.654 . 0 0 "[ . 1 . 2]" 1 824 1 41 ILE HB 1 42 GLU QG . . 5.050 3.970 3.575 4.882 . 0 0 "[ . 1 . 2]" 1 825 1 41 ILE HB 1 98 ALA MB . . 5.190 4.492 4.263 4.797 . 0 0 "[ . 1 . 2]" 1 826 1 41 ILE MD 1 42 GLU H . . 4.570 4.212 4.039 4.383 . 0 0 "[ . 1 . 2]" 1 827 1 41 ILE MD 1 91 GLY H . . 3.940 2.753 2.347 3.255 . 0 0 "[ . 1 . 2]" 1 828 1 41 ILE MD 1 91 GLY HA2 . . 3.690 2.564 2.248 3.338 . 0 0 "[ . 1 . 2]" 1 829 1 41 ILE MD 1 91 GLY HA3 . . 3.450 2.087 1.837 2.407 . 0 0 "[ . 1 . 2]" 1 830 1 41 ILE MD 1 92 LYS H . . 4.380 3.675 3.264 4.225 . 0 0 "[ . 1 . 2]" 1 831 1 41 ILE MD 1 96 THR HA . . 4.770 4.395 4.005 4.676 . 0 0 "[ . 1 . 2]" 1 832 1 41 ILE MD 1 96 THR HB . . 3.660 2.414 1.980 2.665 . 0 0 "[ . 1 . 2]" 1 833 1 41 ILE MD 1 96 THR HG1 . . 4.470 4.048 3.717 4.341 . 0 0 "[ . 1 . 2]" 1 834 1 41 ILE MD 1 96 THR MG . . 3.950 3.709 3.362 3.897 . 0 0 "[ . 1 . 2]" 1 835 1 41 ILE MD 1 97 PHE H . . 4.760 3.884 3.497 4.238 . 0 0 "[ . 1 . 2]" 1 836 1 41 ILE MD 1 97 PHE HA . . 4.750 3.656 3.274 3.907 . 0 0 "[ . 1 . 2]" 1 837 1 41 ILE MD 1 98 ALA H . . 4.310 3.366 3.109 3.713 . 0 0 "[ . 1 . 2]" 1 838 1 41 ILE MD 1 98 ALA MB . . 3.100 2.069 1.807 2.327 . 0 0 "[ . 1 . 2]" 1 839 1 41 ILE HG12 1 96 THR HB . . 4.660 4.129 3.357 4.620 . 0 0 "[ . 1 . 2]" 1 840 1 41 ILE HG12 1 98 ALA MB . . 4.610 2.382 2.157 2.614 . 0 0 "[ . 1 . 2]" 1 841 1 41 ILE HG12 1 112 VAL HB . . 5.140 4.185 3.858 4.388 . 0 0 "[ . 1 . 2]" 1 842 1 41 ILE HG12 1 112 VAL MG1 . . 3.920 2.007 1.866 2.168 . 0 0 "[ . 1 . 2]" 1 843 1 41 ILE HG13 1 42 GLU H . . 4.720 4.334 4.201 4.631 . 0 0 "[ . 1 . 2]" 1 844 1 41 ILE HG13 1 98 ALA MB . . 3.630 2.665 2.293 3.001 . 0 0 "[ . 1 . 2]" 1 845 1 41 ILE HG13 1 112 VAL MG1 . . 3.860 3.421 3.061 3.658 . 0 0 "[ . 1 . 2]" 1 846 1 41 ILE HG13 1 112 VAL MG2 . . 3.710 2.544 2.238 2.907 . 0 0 "[ . 1 . 2]" 1 847 1 41 ILE MG 1 42 GLU H . . 3.740 2.953 2.126 3.186 . 0 0 "[ . 1 . 2]" 1 848 1 41 ILE MG 1 42 GLU HA . . 3.860 3.284 2.752 3.456 . 0 0 "[ . 1 . 2]" 1 849 1 41 ILE MG 1 42 GLU QG . . 4.480 3.667 3.363 4.393 . 0 0 "[ . 1 . 2]" 1 850 1 41 ILE MG 1 44 LEU H . . 4.610 4.610 4.590 4.622 0.012 20 0 "[ . 1 . 2]" 1 851 1 41 ILE MG 1 45 MET HB2 . . 4.990 3.590 3.319 3.955 . 0 0 "[ . 1 . 2]" 1 852 1 41 ILE MG 1 45 MET ME . . 3.410 3.261 2.750 3.415 0.005 2 0 "[ . 1 . 2]" 1 853 1 41 ILE MG 1 45 MET HG2 . . 3.800 3.287 2.990 3.448 . 0 0 "[ . 1 . 2]" 1 854 1 41 ILE MG 1 45 MET HG3 . . 3.660 2.232 1.980 2.461 . 0 0 "[ . 1 . 2]" 1 855 1 41 ILE MG 1 91 GLY HA2 . . 4.910 4.385 3.984 4.912 0.002 10 0 "[ . 1 . 2]" 1 856 1 41 ILE MG 1 91 GLY HA3 . . 4.060 3.210 2.668 3.495 . 0 0 "[ . 1 . 2]" 1 857 1 41 ILE MG 1 96 THR HA . . 4.450 4.362 4.116 4.461 0.011 20 0 "[ . 1 . 2]" 1 858 1 41 ILE MG 1 96 THR HB . . 3.110 2.481 2.098 2.755 . 0 0 "[ . 1 . 2]" 1 859 1 41 ILE MG 1 96 THR HG1 . . 4.080 3.840 3.488 4.090 0.010 7 0 "[ . 1 . 2]" 1 860 1 41 ILE MG 1 96 THR MG . . 3.210 2.692 2.415 2.926 . 0 0 "[ . 1 . 2]" 1 861 1 41 ILE MG 1 97 PHE H . . 5.050 4.523 4.132 4.976 . 0 0 "[ . 1 . 2]" 1 862 1 42 GLU H 1 42 GLU QB . . 3.080 2.225 2.100 2.358 . 0 0 "[ . 1 . 2]" 1 863 1 42 GLU H 1 42 GLU QG . . 3.650 2.621 2.299 2.882 . 0 0 "[ . 1 . 2]" 1 864 1 42 GLU H 1 43 ASN H . . 3.510 2.954 2.820 3.054 . 0 0 "[ . 1 . 2]" 1 865 1 42 GLU HA 1 42 GLU QG . . 3.390 2.184 2.021 3.286 . 0 0 "[ . 1 . 2]" 1 866 1 42 GLU HA 1 45 MET H . . 3.970 3.534 3.333 3.717 . 0 0 "[ . 1 . 2]" 1 867 1 42 GLU HA 1 45 MET HB2 . . 3.540 2.168 1.980 2.344 . 0 0 "[ . 1 . 2]" 1 868 1 42 GLU HA 1 45 MET HB3 . . 4.170 3.509 3.296 3.838 . 0 0 "[ . 1 . 2]" 1 869 1 42 GLU HA 1 45 MET HG2 . . 4.800 4.468 4.211 4.684 . 0 0 "[ . 1 . 2]" 1 870 1 42 GLU HA 1 45 MET HG3 . . 4.470 3.078 2.693 3.364 . 0 0 "[ . 1 . 2]" 1 871 1 42 GLU HA 1 46 THR H . . 4.740 3.959 3.602 4.421 . 0 0 "[ . 1 . 2]" 1 872 1 42 GLU HA 1 46 THR MG . . 4.400 4.009 3.294 4.263 . 0 0 "[ . 1 . 2]" 1 873 1 42 GLU QB 1 43 ASN H . . 3.470 2.791 2.627 3.367 . 0 0 "[ . 1 . 2]" 1 874 1 42 GLU QG 1 43 ASN H . . 4.930 4.288 1.866 4.497 . 0 0 "[ . 1 . 2]" 1 875 1 43 ASN H 1 43 ASN HB2 . . 3.220 2.104 2.040 2.277 . 0 0 "[ . 1 . 2]" 1 876 1 43 ASN H 1 43 ASN HB3 . . 3.180 2.962 2.698 3.106 . 0 0 "[ . 1 . 2]" 1 877 1 43 ASN H 1 44 LEU HB2 . . 4.770 4.652 4.495 4.765 . 0 0 "[ . 1 . 2]" 1 878 1 43 ASN H 1 45 MET H . . 4.970 4.067 3.522 4.448 . 0 0 "[ . 1 . 2]" 1 879 1 43 ASN HA 1 43 ASN HD21 . . 4.650 4.142 3.811 4.402 . 0 0 "[ . 1 . 2]" 1 880 1 43 ASN HA 1 46 THR H . . 4.420 3.898 3.269 4.150 . 0 0 "[ . 1 . 2]" 1 881 1 43 ASN HB2 1 44 LEU H . . 3.740 3.203 2.987 3.484 . 0 0 "[ . 1 . 2]" 1 882 1 43 ASN HB2 1 44 LEU HG . . 5.500 5.042 4.813 5.217 . 0 0 "[ . 1 . 2]" 1 883 1 43 ASN HB3 1 44 LEU H . . 4.030 2.187 2.035 2.503 . 0 0 "[ . 1 . 2]" 1 884 1 43 ASN HB3 1 44 LEU HG . . 4.280 3.485 3.365 3.727 . 0 0 "[ . 1 . 2]" 1 885 1 44 LEU H 1 44 LEU HB2 . . 3.130 2.130 2.038 2.198 . 0 0 "[ . 1 . 2]" 1 886 1 44 LEU H 1 44 LEU HB3 . . 3.920 3.432 3.344 3.473 . 0 0 "[ . 1 . 2]" 1 887 1 44 LEU H 1 44 LEU MD1 . . 4.090 3.669 3.501 3.995 . 0 0 "[ . 1 . 2]" 1 888 1 44 LEU H 1 44 LEU MD2 . . 3.850 3.843 3.801 3.885 0.035 14 0 "[ . 1 . 2]" 1 889 1 44 LEU H 1 44 LEU HG . . 3.560 2.850 2.688 3.184 . 0 0 "[ . 1 . 2]" 1 890 1 44 LEU H 1 45 MET H . . 3.570 2.805 2.601 2.972 . 0 0 "[ . 1 . 2]" 1 891 1 44 LEU H 1 112 VAL MG1 . . 5.010 4.797 4.447 4.961 . 0 0 "[ . 1 . 2]" 1 892 1 44 LEU HA 1 44 LEU MD1 . . 4.010 3.801 3.746 3.817 . 0 0 "[ . 1 . 2]" 1 893 1 44 LEU HA 1 44 LEU MD2 . . 2.840 2.010 1.948 2.192 . 0 0 "[ . 1 . 2]" 1 894 1 44 LEU HA 1 44 LEU HG . . 3.280 2.693 2.635 2.815 . 0 0 "[ . 1 . 2]" 1 895 1 44 LEU HA 1 46 THR H . . 4.910 4.762 4.368 4.916 0.006 10 0 "[ . 1 . 2]" 1 896 1 44 LEU HB2 1 44 LEU MD1 . . 3.580 2.236 2.139 2.451 . 0 0 "[ . 1 . 2]" 1 897 1 44 LEU HB2 1 45 MET H . . 3.990 2.851 2.582 3.554 . 0 0 "[ . 1 . 2]" 1 898 1 44 LEU HB3 1 44 LEU MD1 . . 3.260 2.452 2.292 2.544 . 0 0 "[ . 1 . 2]" 1 899 1 44 LEU HB3 1 44 LEU MD2 . . 3.620 2.342 2.232 2.465 . 0 0 "[ . 1 . 2]" 1 900 1 44 LEU HB3 1 45 MET H . . 4.480 3.275 2.987 3.840 . 0 0 "[ . 1 . 2]" 1 901 1 44 LEU MD1 1 112 VAL H . . 3.760 3.019 2.516 3.277 . 0 0 "[ . 1 . 2]" 1 902 1 44 LEU MD1 1 112 VAL HA . . 4.600 4.329 4.067 4.439 . 0 0 "[ . 1 . 2]" 1 903 1 44 LEU MD1 1 112 VAL HB . . 3.180 1.971 1.890 2.097 . 0 0 "[ . 1 . 2]" 1 904 1 44 LEU MD1 1 112 VAL MG1 . . 3.960 2.900 2.582 3.208 . 0 0 "[ . 1 . 2]" 1 905 1 44 LEU MD2 1 45 MET H . . 4.920 4.680 4.582 4.777 . 0 0 "[ . 1 . 2]" 1 906 1 45 MET H 1 45 MET HB2 . . 3.590 2.184 1.994 2.405 . 0 0 "[ . 1 . 2]" 1 907 1 45 MET H 1 45 MET HB3 . . 3.890 3.452 3.286 3.538 . 0 0 "[ . 1 . 2]" 1 908 1 45 MET H 1 45 MET HG2 . . 4.300 3.243 2.516 3.835 . 0 0 "[ . 1 . 2]" 1 909 1 45 MET H 1 45 MET HG3 . . 3.840 3.038 2.645 3.581 . 0 0 "[ . 1 . 2]" 1 910 1 45 MET H 1 46 THR H . . 3.440 3.096 2.308 3.275 . 0 0 "[ . 1 . 2]" 1 911 1 45 MET H 1 46 THR MG . . 4.870 4.431 3.559 4.713 . 0 0 "[ . 1 . 2]" 1 912 1 45 MET H 1 47 SER H . . 5.160 4.628 3.409 5.166 0.006 3 0 "[ . 1 . 2]" 1 913 1 45 MET H 1 112 VAL MG1 . . 5.090 4.368 4.038 4.589 . 0 0 "[ . 1 . 2]" 1 914 1 45 MET HA 1 45 MET ME . . 3.880 3.872 3.797 3.914 0.034 3 0 "[ . 1 . 2]" 1 915 1 45 MET HA 1 45 MET HG2 . . 3.630 2.119 2.015 2.361 . 0 0 "[ . 1 . 2]" 1 916 1 45 MET HA 1 45 MET HG3 . . 4.070 3.270 2.889 3.580 . 0 0 "[ . 1 . 2]" 1 917 1 45 MET HA 1 47 SER H . . 5.030 4.150 3.827 4.929 . 0 0 "[ . 1 . 2]" 1 918 1 45 MET HA 1 53 TRP HE1 . . 4.960 4.257 3.839 4.498 . 0 0 "[ . 1 . 2]" 1 919 1 45 MET HA 1 53 TRP HH2 . . 4.620 3.701 3.204 4.050 . 0 0 "[ . 1 . 2]" 1 920 1 45 MET HA 1 53 TRP HZ2 . . 3.580 2.320 2.090 2.544 . 0 0 "[ . 1 . 2]" 1 921 1 45 MET HB2 1 46 THR H . . 4.090 2.534 2.239 2.950 . 0 0 "[ . 1 . 2]" 1 922 1 45 MET HB2 1 46 THR MG . . 4.990 3.549 2.993 4.034 . 0 0 "[ . 1 . 2]" 1 923 1 45 MET HB3 1 46 THR H . . 4.240 2.783 2.564 3.460 . 0 0 "[ . 1 . 2]" 1 924 1 45 MET HB3 1 46 THR MG . . 4.760 3.504 2.459 4.869 0.109 20 0 "[ . 1 . 2]" 1 925 1 45 MET ME 1 53 TRP HH2 . . 3.460 2.374 2.115 2.729 . 0 0 "[ . 1 . 2]" 1 926 1 45 MET ME 1 53 TRP HZ2 . . 4.710 4.015 3.708 4.426 . 0 0 "[ . 1 . 2]" 1 927 1 45 MET ME 1 53 TRP HZ3 . . 4.340 3.615 2.926 4.043 . 0 0 "[ . 1 . 2]" 1 928 1 45 MET ME 1 93 ASP QB . . 4.480 3.496 2.876 3.908 . 0 0 "[ . 1 . 2]" 1 929 1 45 MET ME 1 96 THR HG1 . . 4.340 4.138 3.804 4.361 0.021 3 0 "[ . 1 . 2]" 1 930 1 45 MET ME 1 96 THR MG . . 3.050 2.099 1.868 2.473 . 0 0 "[ . 1 . 2]" 1 931 1 45 MET ME 1 114 TRP HE3 . . 3.400 2.885 1.996 3.284 . 0 0 "[ . 1 . 2]" 1 932 1 45 MET ME 1 114 TRP HH2 . . 3.690 3.404 3.152 3.723 0.033 3 0 "[ . 1 . 2]" 1 933 1 45 MET ME 1 114 TRP HZ3 . . 3.020 1.859 1.763 1.991 . 0 0 "[ . 1 . 2]" 1 934 1 45 MET HG2 1 53 TRP HH2 . . 4.630 3.178 2.618 3.546 . 0 0 "[ . 1 . 2]" 1 935 1 45 MET HG2 1 53 TRP HZ2 . . 4.450 3.317 3.174 3.652 . 0 0 "[ . 1 . 2]" 1 936 1 45 MET HG2 1 96 THR MG . . 4.690 4.052 3.512 4.400 . 0 0 "[ . 1 . 2]" 1 937 1 45 MET HG3 1 53 TRP HH2 . . 5.020 4.736 4.301 5.008 . 0 0 "[ . 1 . 2]" 1 938 1 45 MET HG3 1 53 TRP HZ2 . . 4.960 4.950 4.727 4.982 0.022 3 0 "[ . 1 . 2]" 1 939 1 45 MET HG3 1 96 THR MG . . 4.440 3.754 3.446 3.939 . 0 0 "[ . 1 . 2]" 1 940 1 46 THR H 1 46 THR HB . . 3.470 3.162 2.396 3.517 0.047 6 0 "[ . 1 . 2]" 1 941 1 46 THR H 1 46 THR HG1 . . 4.890 3.375 1.917 4.427 . 0 0 "[ . 1 . 2]" 1 942 1 46 THR H 1 46 THR MG . . 3.510 2.150 1.942 2.533 . 0 0 "[ . 1 . 2]" 1 943 1 46 THR HA 1 46 THR MG . . 3.110 2.702 2.266 3.232 0.122 20 0 "[ . 1 . 2]" 1 944 1 46 THR MG 1 47 SER H . . 4.620 3.989 2.577 4.408 . 0 0 "[ . 1 . 2]" 1 945 1 47 SER H 1 47 SER HB2 . . 3.670 2.933 2.188 3.551 . 0 0 "[ . 1 . 2]" 1 946 1 47 SER H 1 47 SER HB3 . . 4.180 3.099 2.029 3.731 . 0 0 "[ . 1 . 2]" 1 947 1 47 SER HB3 1 48 SER H . . 3.720 2.481 1.948 4.330 0.610 14 2 "[ -. 1 +. 2]" 1 948 1 48 SER H 1 48 SER HB2 . . 3.790 2.629 2.206 3.678 . 0 0 "[ . 1 . 2]" 1 949 1 48 SER H 1 49 SER H . . 4.720 4.452 3.977 4.609 . 0 0 "[ . 1 . 2]" 1 950 1 48 SER H 1 53 TRP HE1 . . 4.800 3.696 2.819 4.811 0.011 4 0 "[ . 1 . 2]" 1 951 1 48 SER HB3 1 49 SER H . . 3.360 2.856 2.244 3.444 0.084 6 0 "[ . 1 . 2]" 1 952 1 48 SER HB3 1 52 ASP HB2 . . 4.750 3.209 2.697 4.322 . 0 0 "[ . 1 . 2]" 1 953 1 48 SER HB3 1 52 ASP HB3 . . 4.310 2.613 2.037 3.289 . 0 0 "[ . 1 . 2]" 1 954 1 48 SER HB3 1 53 TRP HD1 . . 4.350 3.068 2.311 3.817 . 0 0 "[ . 1 . 2]" 1 955 1 48 SER HB3 1 53 TRP HE1 . . 3.920 2.749 2.018 3.687 . 0 0 "[ . 1 . 2]" 1 956 1 49 SER H 1 49 SER HB2 . . 3.560 2.538 2.242 2.695 . 0 0 "[ . 1 . 2]" 1 957 1 49 SER H 1 49 SER HB3 . . 3.750 3.559 3.505 3.587 . 0 0 "[ . 1 . 2]" 1 958 1 49 SER H 1 50 LYS H . . 4.830 4.599 4.546 4.653 . 0 0 "[ . 1 . 2]" 1 959 1 49 SER H 1 52 ASP H . . 4.440 3.963 3.521 4.147 . 0 0 "[ . 1 . 2]" 1 960 1 49 SER H 1 52 ASP HB2 . . 4.630 2.361 2.051 2.956 . 0 0 "[ . 1 . 2]" 1 961 1 49 SER H 1 52 ASP HB3 . . 4.100 3.162 2.617 3.616 . 0 0 "[ . 1 . 2]" 1 962 1 49 SER H 1 53 TRP HD1 . . 5.320 5.163 4.753 5.325 0.005 5 0 "[ . 1 . 2]" 1 963 1 49 SER H 1 53 TRP HE1 . . 4.860 4.426 4.174 4.670 . 0 0 "[ . 1 . 2]" 1 964 1 49 SER HA 1 50 LYS H . . 2.870 2.607 2.492 2.709 . 0 0 "[ . 1 . 2]" 1 965 1 49 SER HA 1 50 LYS QB . . 5.070 4.267 4.214 4.353 . 0 0 "[ . 1 . 2]" 1 966 1 49 SER HA 1 51 GLU H . . 4.820 4.747 4.533 4.823 0.003 7 0 "[ . 1 . 2]" 1 967 1 49 SER HA 1 52 ASP H . . 4.740 4.498 4.313 4.623 . 0 0 "[ . 1 . 2]" 1 968 1 49 SER HB2 1 50 LYS H . . 3.750 3.353 3.048 3.593 . 0 0 "[ . 1 . 2]" 1 969 1 49 SER HB2 1 51 GLU H . . 4.090 3.528 3.192 3.899 . 0 0 "[ . 1 . 2]" 1 970 1 49 SER HB2 1 51 GLU HB2 . . 5.090 3.923 3.567 4.172 . 0 0 "[ . 1 . 2]" 1 971 1 49 SER HB2 1 52 ASP H . . 4.390 2.244 2.082 2.591 . 0 0 "[ . 1 . 2]" 1 972 1 49 SER HB3 1 50 LYS H . . 3.720 2.299 2.037 2.537 . 0 0 "[ . 1 . 2]" 1 973 1 49 SER HB3 1 51 GLU H . . 4.130 3.178 2.892 3.372 . 0 0 "[ . 1 . 2]" 1 974 1 49 SER HB3 1 52 ASP H . . 4.460 3.284 2.984 3.616 . 0 0 "[ . 1 . 2]" 1 975 1 50 LYS H 1 50 LYS QB . . 3.270 2.085 2.073 2.127 . 0 0 "[ . 1 . 2]" 1 976 1 50 LYS H 1 50 LYS HG2 . . 4.040 4.040 4.000 4.054 0.014 11 0 "[ . 1 . 2]" 1 977 1 50 LYS H 1 50 LYS HG3 . . 4.460 4.404 4.308 4.442 . 0 0 "[ . 1 . 2]" 1 978 1 50 LYS H 1 51 GLU H . . 3.740 2.623 2.428 2.752 . 0 0 "[ . 1 . 2]" 1 979 1 50 LYS HA 1 50 LYS HG3 . . 3.820 2.752 2.710 2.787 . 0 0 "[ . 1 . 2]" 1 980 1 50 LYS HA 1 52 ASP H . . 4.750 4.264 3.995 4.510 . 0 0 "[ . 1 . 2]" 1 981 1 50 LYS HA 1 53 TRP H . . 4.200 3.766 3.425 3.888 . 0 0 "[ . 1 . 2]" 1 982 1 50 LYS HA 1 53 TRP HB2 . . 5.050 4.068 3.775 4.244 . 0 0 "[ . 1 . 2]" 1 983 1 50 LYS HA 1 53 TRP HE1 . . 5.120 4.450 4.284 4.627 . 0 0 "[ . 1 . 2]" 1 984 1 50 LYS HA 1 53 TRP HE3 . . 4.090 3.045 2.927 3.253 . 0 0 "[ . 1 . 2]" 1 985 1 50 LYS HA 1 53 TRP HH2 . . 4.880 3.445 3.236 3.981 . 0 0 "[ . 1 . 2]" 1 986 1 50 LYS HA 1 53 TRP HZ2 . . 4.740 3.665 3.437 4.076 . 0 0 "[ . 1 . 2]" 1 987 1 50 LYS HA 1 53 TRP HZ3 . . 4.800 3.102 2.955 3.600 . 0 0 "[ . 1 . 2]" 1 988 1 50 LYS QB 1 50 LYS HD2 . . 3.500 2.273 2.116 2.464 . 0 0 "[ . 1 . 2]" 1 989 1 50 LYS QB 1 50 LYS HD3 . . 3.910 2.582 2.376 2.916 . 0 0 "[ . 1 . 2]" 1 990 1 50 LYS QB 1 50 LYS HE2 . . 5.010 3.914 3.628 4.066 . 0 0 "[ . 1 . 2]" 1 991 1 50 LYS QB 1 51 GLU H . . 3.830 2.723 2.669 2.812 . 0 0 "[ . 1 . 2]" 1 992 1 50 LYS QB 1 51 GLU QG . . 3.970 3.519 3.369 3.631 . 0 0 "[ . 1 . 2]" 1 993 1 50 LYS QB 1 53 TRP HE3 . . 4.970 4.165 4.000 4.319 . 0 0 "[ . 1 . 2]" 1 994 1 50 LYS QB 1 53 TRP HH2 . . 4.870 3.319 3.021 4.069 . 0 0 "[ . 1 . 2]" 1 995 1 50 LYS QB 1 53 TRP HZ3 . . 4.630 3.102 2.930 3.695 . 0 0 "[ . 1 . 2]" 1 996 1 50 LYS HE2 1 50 LYS HG2 . . 4.050 2.844 2.529 3.210 . 0 0 "[ . 1 . 2]" 1 997 1 50 LYS HE2 1 50 LYS HG3 . . 4.000 2.297 1.997 2.557 . 0 0 "[ . 1 . 2]" 1 998 1 50 LYS HE2 1 53 TRP HZ3 . . 4.970 4.126 3.482 4.855 . 0 0 "[ . 1 . 2]" 1 999 1 50 LYS HE2 1 114 TRP HD1 . . 5.100 4.963 4.764 5.100 0.000 20 0 "[ . 1 . 2]" 1 1000 1 50 LYS HE2 1 114 TRP HE1 . . 4.800 4.530 4.206 4.718 . 0 0 "[ . 1 . 2]" 1 1001 1 50 LYS HE3 1 50 LYS HG2 . . 4.100 3.836 3.685 4.016 . 0 0 "[ . 1 . 2]" 1 1002 1 50 LYS HE3 1 50 LYS HG3 . . 4.120 3.403 2.969 3.738 . 0 0 "[ . 1 . 2]" 1 1003 1 50 LYS HE3 1 114 TRP HE1 . . 4.590 3.924 3.260 4.576 . 0 0 "[ . 1 . 2]" 1 1004 1 50 LYS HE3 1 114 TRP HZ2 . . 4.960 3.614 3.103 3.963 . 0 0 "[ . 1 . 2]" 1 1005 1 50 LYS HG2 1 51 GLU H . . 4.060 2.935 2.762 3.063 . 0 0 "[ . 1 . 2]" 1 1006 1 50 LYS HG3 1 51 GLU H . . 4.790 3.918 3.685 4.054 . 0 0 "[ . 1 . 2]" 1 1007 1 50 LYS HG3 1 53 TRP HE3 . . 4.420 2.956 2.684 3.535 . 0 0 "[ . 1 . 2]" 1 1008 1 50 LYS HG3 1 53 TRP HZ3 . . 4.480 3.070 2.626 4.057 . 0 0 "[ . 1 . 2]" 1 1009 1 51 GLU H 1 51 GLU HB2 . . 3.350 2.404 2.338 2.470 . 0 0 "[ . 1 . 2]" 1 1010 1 51 GLU H 1 51 GLU HB3 . . 3.640 3.544 3.532 3.552 . 0 0 "[ . 1 . 2]" 1 1011 1 51 GLU H 1 51 GLU QG . . 3.900 2.259 2.074 2.489 . 0 0 "[ . 1 . 2]" 1 1012 1 51 GLU H 1 52 ASP H . . 3.380 2.607 2.497 2.666 . 0 0 "[ . 1 . 2]" 1 1013 1 51 GLU H 1 53 TRP H . . 4.640 4.099 3.994 4.285 . 0 0 "[ . 1 . 2]" 1 1014 1 51 GLU HA 1 51 GLU QG . . 3.490 2.490 2.362 2.808 . 0 0 "[ . 1 . 2]" 1 1015 1 51 GLU HA 1 53 TRP H . . 4.460 3.559 3.375 4.061 . 0 0 "[ . 1 . 2]" 1 1016 1 51 GLU HB2 1 52 ASP H . . 4.390 2.916 2.728 3.087 . 0 0 "[ . 1 . 2]" 1 1017 1 51 GLU HB3 1 52 ASP H . . 4.620 3.858 3.676 3.993 . 0 0 "[ . 1 . 2]" 1 1018 1 51 GLU QG 1 52 ASP H . . 4.790 4.215 4.134 4.315 . 0 0 "[ . 1 . 2]" 1 1019 1 52 ASP H 1 52 ASP HB2 . . 3.780 2.139 2.005 2.618 . 0 0 "[ . 1 . 2]" 1 1020 1 52 ASP H 1 52 ASP HB3 . . 3.520 3.236 2.311 3.521 0.001 14 0 "[ . 1 . 2]" 1 1021 1 52 ASP H 1 53 TRP H . . 2.980 2.731 2.623 2.827 . 0 0 "[ . 1 . 2]" 1 1022 1 52 ASP HB3 1 53 TRP H . . 4.030 3.370 2.671 3.857 . 0 0 "[ . 1 . 2]" 1 1023 1 52 ASP HB3 1 53 TRP HD1 . . 4.410 3.357 2.954 3.719 . 0 0 "[ . 1 . 2]" 1 1024 1 53 TRP H 1 53 TRP HB2 . . 3.400 2.583 2.553 2.637 . 0 0 "[ . 1 . 2]" 1 1025 1 53 TRP H 1 53 TRP HB3 . . 3.750 3.574 3.542 3.601 . 0 0 "[ . 1 . 2]" 1 1026 1 53 TRP H 1 53 TRP HD1 . . 3.560 3.323 2.938 3.531 . 0 0 "[ . 1 . 2]" 1 1027 1 53 TRP H 1 54 PRO HD2 . . 4.730 5.032 5.018 5.044 0.314 2 0 "[ . 1 . 2]" 1 1028 1 53 TRP HA 1 53 TRP HD1 . . 3.310 2.446 2.417 2.468 . 0 0 "[ . 1 . 2]" 1 1029 1 53 TRP HA 1 53 TRP HE1 . . 4.980 5.015 4.993 5.032 0.052 20 0 "[ . 1 . 2]" 1 1030 1 53 TRP HA 1 54 PRO HD2 . . 3.180 2.345 2.312 2.377 . 0 0 "[ . 1 . 2]" 1 1031 1 53 TRP HA 1 54 PRO HD3 . . 3.200 1.950 1.939 1.965 . 0 0 "[ . 1 . 2]" 1 1032 1 53 TRP HA 1 54 PRO HG2 . . 4.670 4.408 4.392 4.425 . 0 0 "[ . 1 . 2]" 1 1033 1 53 TRP HA 1 54 PRO HG3 . . 4.400 4.208 4.202 4.216 . 0 0 "[ . 1 . 2]" 1 1034 1 53 TRP HB2 1 53 TRP HE3 . . 3.820 2.436 2.401 2.549 . 0 0 "[ . 1 . 2]" 1 1035 1 53 TRP HB2 1 54 PRO HD2 . . 4.920 4.283 4.222 4.350 . 0 0 "[ . 1 . 2]" 1 1036 1 53 TRP HB3 1 53 TRP HD1 . . 3.870 3.297 3.250 3.424 . 0 0 "[ . 1 . 2]" 1 1037 1 53 TRP HB3 1 54 PRO HD2 . . 4.580 3.004 2.906 3.109 . 0 0 "[ . 1 . 2]" 1 1038 1 53 TRP HD1 1 54 PRO HD2 . . 4.420 4.244 4.137 4.426 0.006 14 0 "[ . 1 . 2]" 1 1039 1 53 TRP HE3 1 114 TRP HB2 . . 4.540 3.538 3.207 3.765 . 0 0 "[ . 1 . 2]" 1 1040 1 53 TRP HE3 1 114 TRP HB3 . . 4.530 3.581 3.240 3.881 . 0 0 "[ . 1 . 2]" 1 1041 1 53 TRP HH2 1 114 TRP HE3 . . 4.560 3.560 3.016 4.113 . 0 0 "[ . 1 . 2]" 1 1042 1 53 TRP HZ3 1 114 TRP HB2 . . 4.460 3.419 2.972 3.735 . 0 0 "[ . 1 . 2]" 1 1043 1 53 TRP HZ3 1 114 TRP HB3 . . 4.660 4.273 3.906 4.637 . 0 0 "[ . 1 . 2]" 1 1044 1 53 TRP HZ3 1 114 TRP HE3 . . 4.230 2.652 2.081 3.390 . 0 0 "[ . 1 . 2]" 1 1045 1 54 PRO HA 1 55 SER H . . 2.890 2.197 2.163 2.236 . 0 0 "[ . 1 . 2]" 1 1046 1 54 PRO HB2 1 55 SER H . . 3.960 3.438 3.283 3.615 . 0 0 "[ . 1 . 2]" 1 1047 1 54 PRO HB2 1 56 VAL MG1 . . 3.830 2.680 2.639 2.745 . 0 0 "[ . 1 . 2]" 1 1048 1 54 PRO HB3 1 55 SER H . . 4.020 3.822 3.721 3.944 . 0 0 "[ . 1 . 2]" 1 1049 1 54 PRO HB3 1 56 VAL MG1 . . 4.100 4.111 4.075 4.169 0.069 17 0 "[ . 1 . 2]" 1 1050 1 54 PRO HG2 1 56 VAL MG1 . . 4.040 2.863 2.842 2.883 . 0 0 "[ . 1 . 2]" 1 1051 1 54 PRO HG3 1 56 VAL MG1 . . 4.060 4.189 4.176 4.202 0.142 9 0 "[ . 1 . 2]" 1 1052 1 55 SER H 1 55 SER HB2 . . 3.260 3.109 2.864 3.251 . 0 0 "[ . 1 . 2]" 1 1053 1 55 SER H 1 56 VAL H . . 5.040 4.336 4.326 4.355 . 0 0 "[ . 1 . 2]" 1 1054 1 55 SER H 1 56 VAL MG1 . . 5.100 4.122 4.062 4.179 . 0 0 "[ . 1 . 2]" 1 1055 1 55 SER HA 1 56 VAL H . . 2.940 2.242 2.239 2.244 . 0 0 "[ . 1 . 2]" 1 1056 1 55 SER HA 1 56 VAL MG2 . . 4.050 4.048 3.948 4.072 0.022 8 0 "[ . 1 . 2]" 1 1057 1 55 SER HB2 1 70 GLU QB . . 3.990 3.070 2.648 4.115 0.125 17 0 "[ . 1 . 2]" 1 1058 1 55 SER HB3 1 56 VAL H . . 4.040 4.102 3.943 4.703 0.663 3 2 "[ + . 1 . - 2]" 1 1059 1 56 VAL H 1 56 VAL MG1 . . 4.030 2.568 2.427 2.644 . 0 0 "[ . 1 . 2]" 1 1060 1 56 VAL H 1 56 VAL MG2 . . 3.200 2.253 2.133 2.295 . 0 0 "[ . 1 . 2]" 1 1061 1 56 VAL HA 1 56 VAL MG1 . . 3.260 2.377 2.335 2.462 . 0 0 "[ . 1 . 2]" 1 1062 1 56 VAL HA 1 56 VAL MG2 . . 3.650 3.205 3.201 3.215 . 0 0 "[ . 1 . 2]" 1 1063 1 56 VAL HA 1 57 ASN H . . 3.130 2.571 2.443 2.651 . 0 0 "[ . 1 . 2]" 1 1064 1 56 VAL HA 1 67 VAL MG1 . . 4.360 4.315 4.026 4.372 0.012 15 0 "[ . 1 . 2]" 1 1065 1 56 VAL HA 1 69 SER HA . . 3.760 2.957 2.795 3.145 . 0 0 "[ . 1 . 2]" 1 1066 1 56 VAL HA 1 70 GLU H . . 3.560 3.164 2.573 3.459 . 0 0 "[ . 1 . 2]" 1 1067 1 56 VAL HA 1 70 GLU QB . . 4.360 3.216 2.830 3.597 . 0 0 "[ . 1 . 2]" 1 1068 1 56 VAL HB 1 57 ASN H . . 3.300 2.361 2.232 2.580 . 0 0 "[ . 1 . 2]" 1 1069 1 56 VAL HB 1 67 VAL MG1 . . 3.300 2.404 2.097 2.489 . 0 0 "[ . 1 . 2]" 1 1070 1 56 VAL HB 1 68 ILE H . . 4.750 4.527 4.138 4.719 . 0 0 "[ . 1 . 2]" 1 1071 1 56 VAL HB 1 69 SER HA . . 4.350 3.147 2.936 3.463 . 0 0 "[ . 1 . 2]" 1 1072 1 56 VAL MG1 1 57 ASN H . . 3.860 3.847 3.795 3.897 0.037 17 0 "[ . 1 . 2]" 1 1073 1 56 VAL MG1 1 69 SER HA . . 3.500 3.168 2.901 3.326 . 0 0 "[ . 1 . 2]" 1 1074 1 56 VAL MG1 1 69 SER HB2 . . 4.560 4.414 4.170 4.562 0.002 4 0 "[ . 1 . 2]" 1 1075 1 56 VAL MG1 1 70 GLU H . . 4.030 3.926 3.665 4.050 0.020 10 0 "[ . 1 . 2]" 1 1076 1 56 VAL MG2 1 57 ASN H . . 3.760 3.071 2.920 3.358 . 0 0 "[ . 1 . 2]" 1 1077 1 56 VAL MG2 1 57 ASN HA . . 4.540 3.616 3.513 3.750 . 0 0 "[ . 1 . 2]" 1 1078 1 56 VAL MG2 1 58 MET H . . 4.680 4.502 4.378 4.674 . 0 0 "[ . 1 . 2]" 1 1079 1 56 VAL MG2 1 58 MET HA . . 4.900 4.452 4.356 4.556 . 0 0 "[ . 1 . 2]" 1 1080 1 56 VAL MG2 1 113 PHE QD . . 3.910 2.981 2.857 3.149 . 0 0 "[ . 1 . 2]" 1 1081 1 56 VAL MG2 1 113 PHE QE . . 3.780 2.802 2.495 3.070 . 0 0 "[ . 1 . 2]" 1 1082 1 57 ASN H 1 57 ASN HB2 . . 3.620 2.433 2.377 2.490 . 0 0 "[ . 1 . 2]" 1 1083 1 57 ASN H 1 57 ASN HB3 . . 3.770 3.619 3.581 3.648 . 0 0 "[ . 1 . 2]" 1 1084 1 57 ASN H 1 57 ASN HD21 . . 5.010 3.650 2.974 4.057 . 0 0 "[ . 1 . 2]" 1 1085 1 57 ASN H 1 58 MET H . . 5.130 4.465 4.418 4.502 . 0 0 "[ . 1 . 2]" 1 1086 1 57 ASN H 1 67 VAL MG1 . . 4.650 3.226 3.041 3.425 . 0 0 "[ . 1 . 2]" 1 1087 1 57 ASN H 1 68 ILE HB . . 4.820 4.126 3.859 4.287 . 0 0 "[ . 1 . 2]" 1 1088 1 57 ASN H 1 68 ILE MG . . 5.110 4.459 4.226 4.653 . 0 0 "[ . 1 . 2]" 1 1089 1 57 ASN H 1 69 SER HA . . 4.520 3.384 3.216 3.507 . 0 0 "[ . 1 . 2]" 1 1090 1 57 ASN H 1 70 GLU H . . 4.980 4.593 4.182 4.887 . 0 0 "[ . 1 . 2]" 1 1091 1 57 ASN HA 1 58 MET H . . 2.970 2.342 2.293 2.414 . 0 0 "[ . 1 . 2]" 1 1092 1 57 ASN HA 1 58 MET HB2 . . 5.070 4.347 4.220 4.469 . 0 0 "[ . 1 . 2]" 1 1093 1 57 ASN HA 1 58 MET HB3 . . 4.890 4.742 4.584 4.939 0.049 18 0 "[ . 1 . 2]" 1 1094 1 57 ASN HB2 1 58 MET H . . 4.640 4.171 4.019 4.307 . 0 0 "[ . 1 . 2]" 1 1095 1 57 ASN HB2 1 68 ILE HB . . 3.750 2.738 2.683 2.794 . 0 0 "[ . 1 . 2]" 1 1096 1 57 ASN HB2 1 68 ILE MD . . 4.870 4.593 4.369 4.737 . 0 0 "[ . 1 . 2]" 1 1097 1 57 ASN HB2 1 68 ILE HG13 . . 4.780 4.785 4.754 4.813 0.033 3 0 "[ . 1 . 2]" 1 1098 1 57 ASN HB2 1 68 ILE MG . . 4.450 3.491 3.379 3.619 . 0 0 "[ . 1 . 2]" 1 1099 1 57 ASN HB3 1 58 MET H . . 4.350 3.024 2.778 3.231 . 0 0 "[ . 1 . 2]" 1 1100 1 57 ASN HB3 1 68 ILE HB . . 4.160 3.590 3.504 3.687 . 0 0 "[ . 1 . 2]" 1 1101 1 57 ASN HB3 1 68 ILE MG . . 4.570 4.577 4.557 4.586 0.016 20 0 "[ . 1 . 2]" 1 1102 1 57 ASN HD21 1 68 ILE MG . . 4.800 3.572 3.401 3.727 . 0 0 "[ . 1 . 2]" 1 1103 1 57 ASN HD21 1 70 GLU HA . . 4.130 2.342 2.190 2.433 . 0 0 "[ . 1 . 2]" 1 1104 1 57 ASN HD21 1 70 GLU HG3 . . 4.820 4.772 4.577 4.827 0.007 3 0 "[ . 1 . 2]" 1 1105 1 57 ASN HD22 1 68 ILE MG . . 5.090 4.997 4.843 5.095 0.005 16 0 "[ . 1 . 2]" 1 1106 1 57 ASN HD22 1 70 GLU HA . . 4.080 2.214 1.972 2.421 . 0 0 "[ . 1 . 2]" 1 1107 1 57 ASN HD22 1 70 GLU HG3 . . 4.110 3.616 3.459 3.834 . 0 0 "[ . 1 . 2]" 1 1108 1 58 MET H 1 58 MET HB2 . . 3.980 2.716 2.525 2.958 . 0 0 "[ . 1 . 2]" 1 1109 1 58 MET H 1 58 MET HB3 . . 3.870 2.541 2.416 2.690 . 0 0 "[ . 1 . 2]" 1 1110 1 58 MET H 1 58 MET HG3 . . 4.670 4.434 4.350 4.598 . 0 0 "[ . 1 . 2]" 1 1111 1 58 MET H 1 59 ASN H . . 4.650 4.210 4.125 4.297 . 0 0 "[ . 1 . 2]" 1 1112 1 58 MET HA 1 58 MET HG3 . . 3.640 2.596 2.423 2.784 . 0 0 "[ . 1 . 2]" 1 1113 1 58 MET HA 1 59 ASN H . . 3.030 2.228 2.215 2.250 . 0 0 "[ . 1 . 2]" 1 1114 1 58 MET HA 1 59 ASN HB2 . . 5.090 4.712 4.600 4.777 . 0 0 "[ . 1 . 2]" 1 1115 1 58 MET HA 1 59 ASN HB3 . . 4.720 4.596 4.540 4.724 0.004 16 0 "[ . 1 . 2]" 1 1116 1 58 MET HA 1 67 VAL HA . . 3.430 2.416 2.226 2.555 . 0 0 "[ . 1 . 2]" 1 1117 1 58 MET HA 1 67 VAL MG1 . . 4.370 3.535 3.404 3.630 . 0 0 "[ . 1 . 2]" 1 1118 1 58 MET HA 1 67 VAL MG2 . . 3.750 3.186 2.945 3.387 . 0 0 "[ . 1 . 2]" 1 1119 1 58 MET HA 1 68 ILE H . . 4.380 3.346 3.228 3.472 . 0 0 "[ . 1 . 2]" 1 1120 1 58 MET HB2 1 58 MET ME . . 3.740 2.246 1.898 2.470 . 0 0 "[ . 1 . 2]" 1 1121 1 58 MET HB2 1 59 ASN H . . 4.810 4.597 4.521 4.667 . 0 0 "[ . 1 . 2]" 1 1122 1 58 MET HB3 1 58 MET ME . . 3.950 3.131 2.870 3.468 . 0 0 "[ . 1 . 2]" 1 1123 1 58 MET HB3 1 59 ASN H . . 4.930 4.441 4.364 4.500 . 0 0 "[ . 1 . 2]" 1 1124 1 58 MET HB3 1 122 VAL MG2 . . 4.710 3.549 3.299 3.825 . 0 0 "[ . 1 . 2]" 1 1125 1 58 MET ME 1 58 MET HG2 . . 3.750 2.530 2.145 3.362 . 0 0 "[ . 1 . 2]" 1 1126 1 58 MET ME 1 97 PHE QD . . 3.030 2.245 1.932 2.627 . 0 0 "[ . 1 . 2]" 1 1127 1 58 MET ME 1 97 PHE QE . . 3.090 2.172 1.972 2.558 . 0 0 "[ . 1 . 2]" 1 1128 1 58 MET ME 1 113 PHE H . . 5.210 5.024 4.795 5.239 0.029 17 0 "[ . 1 . 2]" 1 1129 1 58 MET ME 1 113 PHE HB2 . . 4.750 2.945 2.630 3.192 . 0 0 "[ . 1 . 2]" 1 1130 1 58 MET ME 1 113 PHE HB3 . . 4.630 3.050 2.651 3.319 . 0 0 "[ . 1 . 2]" 1 1131 1 58 MET ME 1 113 PHE QD . . 3.460 2.678 2.440 2.877 . 0 0 "[ . 1 . 2]" 1 1132 1 58 MET ME 1 113 PHE HZ . . 4.390 4.179 3.834 4.392 0.002 5 0 "[ . 1 . 2]" 1 1133 1 58 MET ME 1 122 VAL MG1 . . 3.000 2.551 2.331 2.937 . 0 0 "[ . 1 . 2]" 1 1134 1 58 MET ME 1 122 VAL MG2 . . 3.860 3.643 3.286 3.876 0.016 11 0 "[ . 1 . 2]" 1 1135 1 58 MET HG2 1 122 VAL MG2 . . 4.500 4.088 3.708 4.507 0.007 11 0 "[ . 1 . 2]" 1 1136 1 58 MET HG3 1 59 ASN H . . 4.100 3.379 3.217 3.763 . 0 0 "[ . 1 . 2]" 1 1137 1 58 MET HG3 1 65 VAL MG1 . . 3.510 2.706 2.224 3.066 . 0 0 "[ . 1 . 2]" 1 1138 1 58 MET HG3 1 66 THR H . . 4.840 4.293 4.034 4.690 . 0 0 "[ . 1 . 2]" 1 1139 1 59 ASN H 1 59 ASN HB2 . . 3.820 2.646 2.503 2.730 . 0 0 "[ . 1 . 2]" 1 1140 1 59 ASN H 1 59 ASN HB3 . . 3.540 2.395 2.346 2.523 . 0 0 "[ . 1 . 2]" 1 1141 1 59 ASN H 1 59 ASN HD21 . . 5.080 4.745 4.634 4.809 . 0 0 "[ . 1 . 2]" 1 1142 1 59 ASN H 1 60 VAL H . . 4.990 4.590 4.515 4.615 . 0 0 "[ . 1 . 2]" 1 1143 1 59 ASN H 1 65 VAL MG1 . . 4.480 4.468 4.363 4.504 0.024 16 0 "[ . 1 . 2]" 1 1144 1 59 ASN H 1 66 THR H . . 4.050 3.408 3.315 3.574 . 0 0 "[ . 1 . 2]" 1 1145 1 59 ASN H 1 66 THR HB . . 4.220 3.923 3.827 4.059 . 0 0 "[ . 1 . 2]" 1 1146 1 59 ASN H 1 67 VAL HA . . 4.150 2.990 2.910 3.067 . 0 0 "[ . 1 . 2]" 1 1147 1 59 ASN H 1 67 VAL MG1 . . 4.740 4.745 4.697 4.768 0.028 17 0 "[ . 1 . 2]" 1 1148 1 59 ASN H 1 67 VAL MG2 . . 4.260 4.156 4.066 4.244 . 0 0 "[ . 1 . 2]" 1 1149 1 59 ASN HA 1 60 VAL H . . 2.940 2.307 2.264 2.343 . 0 0 "[ . 1 . 2]" 1 1150 1 59 ASN HA 1 60 VAL HB . . 4.840 4.509 4.412 4.601 . 0 0 "[ . 1 . 2]" 1 1151 1 59 ASN HA 1 60 VAL MG2 . . 4.240 3.610 3.343 3.898 . 0 0 "[ . 1 . 2]" 1 1152 1 59 ASN HB2 1 60 VAL H . . 4.280 4.203 4.159 4.311 0.031 10 0 "[ . 1 . 2]" 1 1153 1 59 ASN HB2 1 66 THR H . . 4.470 4.370 4.263 4.539 0.069 10 0 "[ . 1 . 2]" 1 1154 1 59 ASN HB2 1 66 THR HB . . 3.850 3.544 3.357 3.788 . 0 0 "[ . 1 . 2]" 1 1155 1 59 ASN HB2 1 66 THR MG . . 4.880 4.250 3.972 4.564 . 0 0 "[ . 1 . 2]" 1 1156 1 59 ASN HB2 1 68 ILE MD . . 4.370 2.632 2.347 3.015 . 0 0 "[ . 1 . 2]" 1 1157 1 59 ASN HB2 1 68 ILE HG13 . . 4.770 2.549 2.285 3.123 . 0 0 "[ . 1 . 2]" 1 1158 1 59 ASN HB3 1 60 VAL H . . 4.550 4.147 3.948 4.325 . 0 0 "[ . 1 . 2]" 1 1159 1 59 ASN HB3 1 66 THR H . . 4.270 2.690 2.570 2.887 . 0 0 "[ . 1 . 2]" 1 1160 1 59 ASN HB3 1 66 THR HA . . 4.990 4.364 4.263 4.568 . 0 0 "[ . 1 . 2]" 1 1161 1 59 ASN HB3 1 66 THR HB . . 3.410 2.082 1.994 2.268 . 0 0 "[ . 1 . 2]" 1 1162 1 59 ASN HB3 1 66 THR MG . . 4.900 3.484 3.311 3.672 . 0 0 "[ . 1 . 2]" 1 1163 1 59 ASN HB3 1 68 ILE MD . . 4.430 3.353 3.044 3.695 . 0 0 "[ . 1 . 2]" 1 1164 1 59 ASN HB3 1 68 ILE HG13 . . 4.860 2.964 2.810 3.251 . 0 0 "[ . 1 . 2]" 1 1165 1 59 ASN HD21 1 61 ALA MB . . 4.880 4.760 4.408 4.900 0.020 17 0 "[ . 1 . 2]" 1 1166 1 59 ASN HD21 1 66 THR HB . . 4.840 4.171 3.962 4.500 . 0 0 "[ . 1 . 2]" 1 1167 1 59 ASN HD21 1 66 THR MG . . 4.730 4.586 4.396 4.743 0.013 17 0 "[ . 1 . 2]" 1 1168 1 59 ASN HD21 1 68 ILE MD . . 4.040 2.096 1.915 2.404 . 0 0 "[ . 1 . 2]" 1 1169 1 59 ASN HD21 1 68 ILE HG13 . . 4.860 3.601 3.371 4.030 . 0 0 "[ . 1 . 2]" 1 1170 1 59 ASN HD21 1 68 ILE MG . . 5.010 4.653 4.491 4.895 . 0 0 "[ . 1 . 2]" 1 1171 1 59 ASN HD22 1 61 ALA MB . . 4.700 3.462 3.110 3.646 . 0 0 "[ . 1 . 2]" 1 1172 1 59 ASN HD22 1 68 ILE MD . . 3.960 3.427 3.274 3.718 . 0 0 "[ . 1 . 2]" 1 1173 1 60 VAL H 1 60 VAL HB . . 3.690 2.673 2.460 2.729 . 0 0 "[ . 1 . 2]" 1 1174 1 60 VAL H 1 60 VAL MG1 . . 4.260 3.837 3.733 3.885 . 0 0 "[ . 1 . 2]" 1 1175 1 60 VAL H 1 60 VAL MG2 . . 3.520 2.976 2.770 3.080 . 0 0 "[ . 1 . 2]" 1 1176 1 60 VAL H 1 61 ALA H . . 4.880 3.999 3.844 4.103 . 0 0 "[ . 1 . 2]" 1 1177 1 60 VAL H 1 61 ALA MB . . 4.690 3.780 3.584 4.019 . 0 0 "[ . 1 . 2]" 1 1178 1 60 VAL HA 1 60 VAL MG1 . . 3.250 2.454 2.274 2.517 . 0 0 "[ . 1 . 2]" 1 1179 1 60 VAL HA 1 60 VAL MG2 . . 3.400 2.333 2.254 2.443 . 0 0 "[ . 1 . 2]" 1 1180 1 60 VAL HA 1 61 ALA H . . 2.980 2.202 2.183 2.251 . 0 0 "[ . 1 . 2]" 1 1181 1 60 VAL HA 1 61 ALA MB . . 4.180 4.038 3.962 4.128 . 0 0 "[ . 1 . 2]" 1 1182 1 60 VAL HA 1 65 VAL HA . . 3.610 2.979 2.842 3.128 . 0 0 "[ . 1 . 2]" 1 1183 1 60 VAL HA 1 66 THR H . . 4.460 3.743 3.565 3.871 . 0 0 "[ . 1 . 2]" 1 1184 1 60 VAL HB 1 61 ALA H . . 4.970 4.492 4.434 4.595 . 0 0 "[ . 1 . 2]" 1 1185 1 60 VAL HB 1 125 ALA MB . . 4.370 3.352 3.073 3.593 . 0 0 "[ . 1 . 2]" 1 1186 1 60 VAL MG1 1 61 ALA H . . 3.690 3.135 2.890 3.413 . 0 0 "[ . 1 . 2]" 1 1187 1 60 VAL MG1 1 61 ALA HA . . 3.960 3.472 3.284 3.720 . 0 0 "[ . 1 . 2]" 1 1188 1 60 VAL MG1 1 125 ALA MB . . 3.220 2.503 1.989 3.040 . 0 0 "[ . 1 . 2]" 1 1189 1 60 VAL MG1 1 126 VAL HA . . 3.480 2.695 2.184 3.046 . 0 0 "[ . 1 . 2]" 1 1190 1 60 VAL MG2 1 61 ALA H . . 4.400 4.193 4.112 4.301 . 0 0 "[ . 1 . 2]" 1 1191 1 60 VAL MG2 1 65 VAL HA . . 4.140 2.977 2.577 3.204 . 0 0 "[ . 1 . 2]" 1 1192 1 60 VAL MG2 1 66 THR H . . 4.380 3.975 3.684 4.180 . 0 0 "[ . 1 . 2]" 1 1193 1 60 VAL MG2 1 125 ALA MB . . 3.540 2.791 2.434 3.253 . 0 0 "[ . 1 . 2]" 1 1194 1 60 VAL MG2 1 126 VAL H . . 4.770 4.192 3.796 4.650 . 0 0 "[ . 1 . 2]" 1 1195 1 60 VAL MG2 1 126 VAL HA . . 4.210 3.352 2.498 3.965 . 0 0 "[ . 1 . 2]" 1 1196 1 61 ALA H 1 61 ALA MB . . 3.280 2.722 2.547 2.869 . 0 0 "[ . 1 . 2]" 1 1197 1 61 ALA H 1 62 ASP H . . 5.000 4.358 4.327 4.410 . 0 0 "[ . 1 . 2]" 1 1198 1 61 ALA H 1 64 THR H . . 4.110 2.578 2.465 2.831 . 0 0 "[ . 1 . 2]" 1 1199 1 61 ALA H 1 64 THR HB . . 4.710 3.470 3.294 3.711 . 0 0 "[ . 1 . 2]" 1 1200 1 61 ALA H 1 65 VAL MG2 . . 4.710 4.616 4.385 4.759 0.049 13 0 "[ . 1 . 2]" 1 1201 1 61 ALA MB 1 62 ASP H . . 3.350 2.498 2.325 2.932 . 0 0 "[ . 1 . 2]" 1 1202 1 61 ALA MB 1 62 ASP HA . . 4.300 4.184 4.096 4.359 0.059 17 0 "[ . 1 . 2]" 1 1203 1 61 ALA MB 1 62 ASP HB2 . . 4.230 3.217 3.089 3.345 . 0 0 "[ . 1 . 2]" 1 1204 1 61 ALA MB 1 62 ASP HB3 . . 4.220 4.104 3.908 4.374 0.154 13 0 "[ . 1 . 2]" 1 1205 1 61 ALA MB 1 63 ALA H . . 4.440 4.300 4.200 4.455 0.015 10 0 "[ . 1 . 2]" 1 1206 1 61 ALA MB 1 64 THR H . . 4.390 4.379 4.251 4.422 0.032 8 0 "[ . 1 . 2]" 1 1207 1 61 ALA MB 1 64 THR HB . . 4.440 4.336 4.193 4.469 0.029 13 0 "[ . 1 . 2]" 1 1208 1 62 ASP H 1 62 ASP HB3 . . 4.140 3.749 3.687 3.961 . 0 0 "[ . 1 . 2]" 1 1209 1 62 ASP H 1 63 ALA H . . 4.560 3.023 2.890 3.936 . 0 0 "[ . 1 . 2]" 1 1210 1 62 ASP HA 1 64 THR H . . 5.040 5.003 4.844 5.243 0.203 17 0 "[ . 1 . 2]" 1 1211 1 62 ASP HB2 1 63 ALA H . . 4.680 4.385 2.875 4.603 . 0 0 "[ . 1 . 2]" 1 1212 1 62 ASP HB2 1 64 THR HB . . 4.750 4.449 4.311 4.789 0.039 17 0 "[ . 1 . 2]" 1 1213 1 62 ASP HB3 1 63 ALA H . . 4.630 3.958 1.874 4.263 . 0 0 "[ . 1 . 2]" 1 1214 1 62 ASP HB3 1 64 THR HB . . 4.760 3.304 3.069 4.255 . 0 0 "[ . 1 . 2]" 1 1215 1 63 ALA H 1 63 ALA MB . . 3.480 2.779 2.711 2.929 . 0 0 "[ . 1 . 2]" 1 1216 1 63 ALA H 1 64 THR H . . 3.730 2.799 1.850 2.968 . 0 0 "[ . 1 . 2]" 1 1217 1 63 ALA HA 1 82 VAL MG1 . . 4.050 2.655 2.528 2.803 . 0 0 "[ . 1 . 2]" 1 1218 1 63 ALA HA 1 82 VAL MG2 . . 3.640 3.038 2.615 3.544 . 0 0 "[ . 1 . 2]" 1 1219 1 63 ALA MB 1 64 THR H . . 3.850 3.783 3.729 3.791 . 0 0 "[ . 1 . 2]" 1 1220 1 63 ALA MB 1 82 VAL H . . 3.990 3.941 3.698 4.001 0.011 18 0 "[ . 1 . 2]" 1 1221 1 63 ALA MB 1 82 VAL MG2 . . 3.100 1.813 1.754 1.949 . 0 0 "[ . 1 . 2]" 1 1222 1 64 THR H 1 64 THR HB . . 3.510 2.746 2.569 2.809 . 0 0 "[ . 1 . 2]" 1 1223 1 64 THR H 1 64 THR MG . . 4.170 3.882 3.814 3.918 . 0 0 "[ . 1 . 2]" 1 1224 1 64 THR H 1 65 VAL H . . 5.020 4.407 4.384 4.467 . 0 0 "[ . 1 . 2]" 1 1225 1 64 THR HA 1 64 THR MG . . 3.110 2.477 2.351 2.555 . 0 0 "[ . 1 . 2]" 1 1226 1 64 THR HA 1 65 VAL H . . 3.050 2.349 2.298 2.401 . 0 0 "[ . 1 . 2]" 1 1227 1 64 THR HA 1 65 VAL HB . . 4.520 4.166 4.118 4.203 . 0 0 "[ . 1 . 2]" 1 1228 1 64 THR HA 1 65 VAL MG2 . . 4.250 3.919 3.858 3.971 . 0 0 "[ . 1 . 2]" 1 1229 1 64 THR HA 1 81 ARG HA . . 3.280 2.155 2.035 2.256 . 0 0 "[ . 1 . 2]" 1 1230 1 64 THR HA 1 82 VAL H . . 3.740 2.383 2.094 2.932 . 0 0 "[ . 1 . 2]" 1 1231 1 64 THR HA 1 82 VAL HA . . 4.690 4.704 4.625 4.832 0.142 13 0 "[ . 1 . 2]" 1 1232 1 64 THR HA 1 82 VAL MG1 . . 4.110 2.585 2.444 2.721 . 0 0 "[ . 1 . 2]" 1 1233 1 64 THR HA 1 82 VAL MG2 . . 4.240 3.650 3.480 3.893 . 0 0 "[ . 1 . 2]" 1 1234 1 64 THR HB 1 65 VAL H . . 3.950 3.961 3.931 4.057 0.107 17 0 "[ . 1 . 2]" 1 1235 1 64 THR MG 1 65 VAL H . . 3.310 2.076 1.914 2.158 . 0 0 "[ . 1 . 2]" 1 1236 1 64 THR MG 1 66 THR H . . 4.550 3.612 3.279 3.776 . 0 0 "[ . 1 . 2]" 1 1237 1 64 THR MG 1 66 THR HA . . 4.480 4.032 3.956 4.120 . 0 0 "[ . 1 . 2]" 1 1238 1 64 THR MG 1 79 GLU HA . . 4.410 4.182 4.012 4.412 0.002 7 0 "[ . 1 . 2]" 1 1239 1 64 THR MG 1 79 GLU HG2 . . 3.420 3.262 2.712 3.984 0.564 4 1 "[ +. 1 . 2]" 1 1240 1 64 THR MG 1 79 GLU HG3 . . 4.000 3.325 2.916 3.835 . 0 0 "[ . 1 . 2]" 1 1241 1 64 THR MG 1 80 CYS H . . 3.720 3.582 3.180 3.752 0.032 17 0 "[ . 1 . 2]" 1 1242 1 64 THR MG 1 81 ARG H . . 4.410 3.967 3.868 4.198 . 0 0 "[ . 1 . 2]" 1 1243 1 64 THR MG 1 81 ARG QD . . 4.050 3.604 3.399 3.785 . 0 0 "[ . 1 . 2]" 1 1244 1 64 THR MG 1 81 ARG HG2 . . 4.240 2.026 1.937 2.361 . 0 0 "[ . 1 . 2]" 1 1245 1 64 THR MG 1 81 ARG HG3 . . 4.070 2.100 1.940 2.591 . 0 0 "[ . 1 . 2]" 1 1246 1 64 THR MG 1 82 VAL H . . 4.230 3.848 3.687 4.260 0.030 14 0 "[ . 1 . 2]" 1 1247 1 65 VAL H 1 65 VAL HB . . 3.560 2.417 2.373 2.505 . 0 0 "[ . 1 . 2]" 1 1248 1 65 VAL H 1 65 VAL MG1 . . 3.550 3.600 3.576 3.640 0.090 18 0 "[ . 1 . 2]" 1 1249 1 65 VAL H 1 65 VAL MG2 . . 3.760 3.247 3.157 3.337 . 0 0 "[ . 1 . 2]" 1 1250 1 65 VAL H 1 66 THR H . . 4.790 4.034 3.938 4.107 . 0 0 "[ . 1 . 2]" 1 1251 1 65 VAL H 1 80 CYS H . . 3.930 3.615 3.190 3.831 . 0 0 "[ . 1 . 2]" 1 1252 1 65 VAL H 1 80 CYS HB2 . . 4.670 4.215 3.557 4.704 0.034 19 0 "[ . 1 . 2]" 1 1253 1 65 VAL H 1 80 CYS HB3 . . 4.510 3.938 3.217 4.482 . 0 0 "[ . 1 . 2]" 1 1254 1 65 VAL H 1 82 VAL H . . 4.820 3.953 3.580 4.547 . 0 0 "[ . 1 . 2]" 1 1255 1 65 VAL H 1 82 VAL MG1 . . 4.160 3.679 3.429 3.985 . 0 0 "[ . 1 . 2]" 1 1256 1 65 VAL HA 1 65 VAL MG1 . . 3.180 2.611 2.575 2.642 . 0 0 "[ . 1 . 2]" 1 1257 1 65 VAL HA 1 66 THR H . . 3.030 2.220 2.206 2.227 . 0 0 "[ . 1 . 2]" 1 1258 1 65 VAL HB 1 66 THR H . . 5.020 4.630 4.615 4.641 . 0 0 "[ . 1 . 2]" 1 1259 1 65 VAL HB 1 80 CYS H . . 4.480 3.994 3.735 4.303 . 0 0 "[ . 1 . 2]" 1 1260 1 65 VAL HB 1 80 CYS HB2 . . 3.740 3.207 2.353 3.788 0.048 19 0 "[ . 1 . 2]" 1 1261 1 65 VAL HB 1 80 CYS HB3 . . 3.440 2.935 2.066 3.498 0.058 17 0 "[ . 1 . 2]" 1 1262 1 65 VAL HB 1 82 VAL MG1 . . 4.350 3.868 3.552 4.374 0.024 19 0 "[ . 1 . 2]" 1 1263 1 65 VAL HB 1 99 PHE QE . . 5.000 4.457 4.106 4.651 . 0 0 "[ . 1 . 2]" 1 1264 1 65 VAL HB 1 99 PHE HZ . . 4.950 4.573 4.071 4.953 0.003 13 0 "[ . 1 . 2]" 1 1265 1 65 VAL MG1 1 66 THR H . . 3.620 3.350 3.251 3.404 . 0 0 "[ . 1 . 2]" 1 1266 1 65 VAL MG1 1 66 THR HA . . 4.590 3.669 3.602 3.702 . 0 0 "[ . 1 . 2]" 1 1267 1 65 VAL MG1 1 80 CYS H . . 4.660 3.240 3.089 3.469 . 0 0 "[ . 1 . 2]" 1 1268 1 65 VAL MG1 1 80 CYS HB2 . . 4.360 2.496 2.026 3.183 . 0 0 "[ . 1 . 2]" 1 1269 1 65 VAL MG1 1 80 CYS HB3 . . 4.080 3.103 2.288 3.762 . 0 0 "[ . 1 . 2]" 1 1270 1 65 VAL MG1 1 99 PHE QE . . 3.730 2.515 2.254 2.746 . 0 0 "[ . 1 . 2]" 1 1271 1 65 VAL MG1 1 99 PHE HZ . . 3.940 2.868 2.334 3.458 . 0 0 "[ . 1 . 2]" 1 1272 1 66 THR H 1 66 THR HB . . 3.490 2.534 2.432 2.620 . 0 0 "[ . 1 . 2]" 1 1273 1 66 THR H 1 66 THR MG . . 4.170 3.814 3.769 3.844 . 0 0 "[ . 1 . 2]" 1 1274 1 66 THR H 1 67 VAL H . . 4.960 4.380 4.319 4.464 . 0 0 "[ . 1 . 2]" 1 1275 1 66 THR HA 1 66 THR MG . . 3.150 2.341 2.220 2.495 . 0 0 "[ . 1 . 2]" 1 1276 1 66 THR HA 1 67 VAL H . . 3.030 2.157 2.150 2.185 . 0 0 "[ . 1 . 2]" 1 1277 1 66 THR HA 1 67 VAL HB . . 4.530 4.534 4.489 4.577 0.047 10 0 "[ . 1 . 2]" 1 1278 1 66 THR HA 1 67 VAL MG2 . . 4.090 3.595 3.483 3.692 . 0 0 "[ . 1 . 2]" 1 1279 1 66 THR HA 1 78 VAL MG1 . . 4.600 3.843 3.630 4.122 . 0 0 "[ . 1 . 2]" 1 1280 1 66 THR HA 1 79 GLU HA . . 3.380 2.166 1.999 2.477 . 0 0 "[ . 1 . 2]" 1 1281 1 66 THR HA 1 79 GLU HG2 . . 4.540 4.521 3.852 5.326 0.786 18 6 "[* *.* * - + 2]" 1 1282 1 66 THR HA 1 80 CYS H . . 4.060 2.661 2.454 2.825 . 0 0 "[ . 1 . 2]" 1 1283 1 66 THR HB 1 67 VAL H . . 4.530 4.351 4.256 4.469 . 0 0 "[ . 1 . 2]" 1 1284 1 66 THR HB 1 68 ILE MD . . 3.920 3.690 3.560 3.879 . 0 0 "[ . 1 . 2]" 1 1285 1 66 THR HB 1 68 ILE HG12 . . 4.350 4.182 3.866 4.355 0.005 10 0 "[ . 1 . 2]" 1 1286 1 66 THR HB 1 68 ILE HG13 . . 4.520 3.470 3.362 3.728 . 0 0 "[ . 1 . 2]" 1 1287 1 66 THR HB 1 79 GLU HA . . 4.540 4.549 4.458 4.593 0.053 10 0 "[ . 1 . 2]" 1 1288 1 66 THR MG 1 67 VAL H . . 3.340 2.764 2.495 3.042 . 0 0 "[ . 1 . 2]" 1 1289 1 66 THR MG 1 68 ILE MD . . 3.330 3.145 2.866 3.330 0.000 13 0 "[ . 1 . 2]" 1 1290 1 66 THR MG 1 68 ILE HG12 . . 3.240 2.636 2.355 3.027 . 0 0 "[ . 1 . 2]" 1 1291 1 66 THR MG 1 68 ILE HG13 . . 3.330 2.948 2.684 3.124 . 0 0 "[ . 1 . 2]" 1 1292 1 66 THR MG 1 76 VAL HA . . 4.300 3.309 3.155 3.484 . 0 0 "[ . 1 . 2]" 1 1293 1 66 THR MG 1 76 VAL QG . . 2.950 1.671 1.602 1.734 . 0 0 "[ . 1 . 2]" 1 1294 1 66 THR MG 1 78 VAL H . . 4.590 3.864 3.680 4.016 . 0 0 "[ . 1 . 2]" 1 1295 1 66 THR MG 1 79 GLU H . . 4.710 4.500 4.353 4.710 0.000 16 0 "[ . 1 . 2]" 1 1296 1 66 THR MG 1 79 GLU HA . . 3.390 2.578 2.329 2.830 . 0 0 "[ . 1 . 2]" 1 1297 1 66 THR MG 1 79 GLU HB2 . . 4.400 2.725 2.461 3.326 . 0 0 "[ . 1 . 2]" 1 1298 1 66 THR MG 1 79 GLU HB3 . . 4.700 4.104 3.883 4.634 . 0 0 "[ . 1 . 2]" 1 1299 1 66 THR MG 1 79 GLU HG2 . . 4.140 3.836 3.477 4.321 0.181 18 0 "[ . 1 . 2]" 1 1300 1 66 THR MG 1 79 GLU HG3 . . 4.480 2.656 2.179 3.083 . 0 0 "[ . 1 . 2]" 1 1301 1 66 THR MG 1 80 CYS H . . 4.280 4.125 3.940 4.287 0.007 2 0 "[ . 1 . 2]" 1 1302 1 67 VAL H 1 67 VAL HB . . 3.620 2.404 2.360 2.438 . 0 0 "[ . 1 . 2]" 1 1303 1 67 VAL H 1 67 VAL MG1 . . 4.580 3.733 3.717 3.746 . 0 0 "[ . 1 . 2]" 1 1304 1 67 VAL H 1 67 VAL MG2 . . 3.340 2.401 2.276 2.544 . 0 0 "[ . 1 . 2]" 1 1305 1 67 VAL H 1 78 VAL H . . 4.190 2.884 2.687 2.989 . 0 0 "[ . 1 . 2]" 1 1306 1 67 VAL H 1 78 VAL HB . . 4.170 3.353 3.252 3.436 . 0 0 "[ . 1 . 2]" 1 1307 1 67 VAL H 1 78 VAL MG1 . . 4.180 3.238 3.033 3.475 . 0 0 "[ . 1 . 2]" 1 1308 1 67 VAL HA 1 67 VAL MG1 . . 3.280 2.320 2.282 2.367 . 0 0 "[ . 1 . 2]" 1 1309 1 67 VAL HA 1 67 VAL MG2 . . 3.190 2.348 2.288 2.428 . 0 0 "[ . 1 . 2]" 1 1310 1 67 VAL HA 1 68 ILE H . . 3.060 2.206 2.186 2.222 . 0 0 "[ . 1 . 2]" 1 1311 1 67 VAL HB 1 77 LEU HB2 . . 4.280 2.904 2.726 3.055 . 0 0 "[ . 1 . 2]" 1 1312 1 67 VAL HB 1 77 LEU HB3 . . 4.170 4.081 3.877 4.179 0.009 18 0 "[ . 1 . 2]" 1 1313 1 67 VAL HB 1 78 VAL H . . 3.870 2.107 1.947 2.338 . 0 0 "[ . 1 . 2]" 1 1314 1 67 VAL HB 1 78 VAL HB . . 3.380 2.046 1.996 2.140 . 0 0 "[ . 1 . 2]" 1 1315 1 67 VAL HB 1 78 VAL MG1 . . 3.490 3.405 3.330 3.503 0.013 10 0 "[ . 1 . 2]" 1 1316 1 67 VAL HB 1 78 VAL MG2 . . 3.540 3.520 3.421 3.561 0.021 2 0 "[ . 1 . 2]" 1 1317 1 67 VAL MG1 1 68 ILE H . . 3.380 3.190 2.980 3.307 . 0 0 "[ . 1 . 2]" 1 1318 1 67 VAL MG1 1 77 LEU HB2 . . 3.600 2.210 2.023 2.377 . 0 0 "[ . 1 . 2]" 1 1319 1 67 VAL MG1 1 77 LEU HB3 . . 3.950 3.384 3.064 3.595 . 0 0 "[ . 1 . 2]" 1 1320 1 67 VAL MG1 1 77 LEU MD1 . . 3.030 2.176 2.066 2.417 . 0 0 "[ . 1 . 2]" 1 1321 1 67 VAL MG1 1 78 VAL H . . 4.420 3.310 3.151 3.442 . 0 0 "[ . 1 . 2]" 1 1322 1 67 VAL MG1 1 113 PHE QD . . 4.700 3.816 3.585 3.968 . 0 0 "[ . 1 . 2]" 1 1323 1 67 VAL MG1 1 113 PHE QE . . 3.500 2.237 2.045 2.481 . 0 0 "[ . 1 . 2]" 1 1324 1 67 VAL MG1 1 113 PHE HZ . . 4.090 3.426 3.289 3.596 . 0 0 "[ . 1 . 2]" 1 1325 1 67 VAL MG2 1 78 VAL HB . . 3.280 2.356 2.131 2.563 . 0 0 "[ . 1 . 2]" 1 1326 1 67 VAL MG2 1 78 VAL MG1 . . 3.260 2.490 2.304 2.851 . 0 0 "[ . 1 . 2]" 1 1327 1 67 VAL MG2 1 113 PHE QD . . 4.540 3.975 3.821 4.130 . 0 0 "[ . 1 . 2]" 1 1328 1 67 VAL MG2 1 113 PHE QE . . 3.300 2.596 2.286 2.842 . 0 0 "[ . 1 . 2]" 1 1329 1 67 VAL MG2 1 113 PHE HZ . . 3.130 2.212 1.989 2.476 . 0 0 "[ . 1 . 2]" 1 1330 1 68 ILE H 1 68 ILE HB . . 3.360 2.447 2.367 2.482 . 0 0 "[ . 1 . 2]" 1 1331 1 68 ILE H 1 68 ILE MD . . 3.960 3.967 3.905 3.999 0.039 17 0 "[ . 1 . 2]" 1 1332 1 68 ILE H 1 68 ILE HG12 . . 4.000 3.478 3.303 3.713 . 0 0 "[ . 1 . 2]" 1 1333 1 68 ILE H 1 68 ILE HG13 . . 3.840 2.556 2.462 2.671 . 0 0 "[ . 1 . 2]" 1 1334 1 68 ILE H 1 68 ILE MG . . 4.020 3.757 3.717 3.774 . 0 0 "[ . 1 . 2]" 1 1335 1 68 ILE HA 1 68 ILE MD . . 3.860 3.703 3.641 3.772 . 0 0 "[ . 1 . 2]" 1 1336 1 68 ILE HA 1 68 ILE HG12 . . 3.730 2.418 2.339 2.458 . 0 0 "[ . 1 . 2]" 1 1337 1 68 ILE HA 1 68 ILE HG13 . . 3.840 3.219 3.105 3.311 . 0 0 "[ . 1 . 2]" 1 1338 1 68 ILE HA 1 68 ILE MG . . 3.170 2.393 2.352 2.452 . 0 0 "[ . 1 . 2]" 1 1339 1 68 ILE HA 1 69 SER H . . 3.090 2.335 2.279 2.424 . 0 0 "[ . 1 . 2]" 1 1340 1 68 ILE HA 1 69 SER HB2 . . 4.810 4.667 4.516 4.818 0.008 8 0 "[ . 1 . 2]" 1 1341 1 68 ILE HA 1 69 SER HB3 . . 4.730 4.606 4.489 4.719 . 0 0 "[ . 1 . 2]" 1 1342 1 68 ILE HA 1 76 VAL HA . . 3.370 2.317 2.190 2.516 . 0 0 "[ . 1 . 2]" 1 1343 1 68 ILE HA 1 76 VAL QG . . 4.130 3.764 3.445 3.955 . 0 0 "[ . 1 . 2]" 1 1344 1 68 ILE HA 1 77 LEU H . . 3.550 2.623 2.355 2.782 . 0 0 "[ . 1 . 2]" 1 1345 1 68 ILE HA 1 77 LEU MD1 . . 4.210 3.568 3.069 4.067 . 0 0 "[ . 1 . 2]" 1 1346 1 68 ILE HA 1 77 LEU HG . . 4.400 4.046 3.721 4.382 . 0 0 "[ . 1 . 2]" 1 1347 1 68 ILE HB 1 68 ILE MD . . 3.340 2.439 2.346 2.507 . 0 0 "[ . 1 . 2]" 1 1348 1 68 ILE HB 1 69 SER H . . 4.340 3.922 3.753 4.025 . 0 0 "[ . 1 . 2]" 1 1349 1 68 ILE HB 1 73 GLU HA . . 4.570 4.483 4.162 4.573 0.003 3 0 "[ . 1 . 2]" 1 1350 1 68 ILE HB 1 76 VAL HA . . 5.070 4.922 4.778 5.082 0.012 12 0 "[ . 1 . 2]" 1 1351 1 68 ILE MD 1 68 ILE MG . . 2.650 1.855 1.834 1.883 . 0 0 "[ . 1 . 2]" 1 1352 1 68 ILE MD 1 69 SER H . . 4.680 4.606 4.363 4.705 0.025 6 0 "[ . 1 . 2]" 1 1353 1 68 ILE MD 1 73 GLU HA . . 4.220 3.537 3.135 4.224 0.004 2 0 "[ . 1 . 2]" 1 1354 1 68 ILE MD 1 76 VAL HA . . 4.070 4.078 4.015 4.109 0.039 10 0 "[ . 1 . 2]" 1 1355 1 68 ILE HG12 1 69 SER H . . 4.820 4.299 4.174 4.378 . 0 0 "[ . 1 . 2]" 1 1356 1 68 ILE HG12 1 76 VAL HA . . 3.590 2.664 2.520 2.861 . 0 0 "[ . 1 . 2]" 1 1357 1 68 ILE HG13 1 76 VAL HA . . 4.530 4.154 3.835 4.463 . 0 0 "[ . 1 . 2]" 1 1358 1 68 ILE MG 1 69 SER H . . 3.380 2.048 1.917 2.252 . 0 0 "[ . 1 . 2]" 1 1359 1 68 ILE MG 1 69 SER HA . . 4.910 3.977 3.836 4.038 . 0 0 "[ . 1 . 2]" 1 1360 1 68 ILE MG 1 69 SER HB2 . . 4.620 4.263 4.149 4.381 . 0 0 "[ . 1 . 2]" 1 1361 1 68 ILE MG 1 69 SER HB3 . . 4.250 3.369 3.199 3.584 . 0 0 "[ . 1 . 2]" 1 1362 1 68 ILE MG 1 73 GLU H . . 5.100 4.230 3.920 4.617 . 0 0 "[ . 1 . 2]" 1 1363 1 68 ILE MG 1 73 GLU HA . . 3.190 2.172 1.867 2.382 . 0 0 "[ . 1 . 2]" 1 1364 1 68 ILE MG 1 73 GLU QG . . 4.190 3.645 3.384 4.024 . 0 0 "[ . 1 . 2]" 1 1365 1 68 ILE MG 1 74 GLU H . . 4.630 3.756 2.212 4.398 . 0 0 "[ . 1 . 2]" 1 1366 1 68 ILE MG 1 74 GLU HA . . 4.290 3.931 2.914 4.288 . 0 0 "[ . 1 . 2]" 1 1367 1 68 ILE MG 1 75 GLU H . . 4.070 3.262 2.475 3.558 . 0 0 "[ . 1 . 2]" 1 1368 1 68 ILE MG 1 75 GLU HB3 . . 4.060 3.601 3.266 4.064 0.004 8 0 "[ . 1 . 2]" 1 1369 1 68 ILE MG 1 76 VAL H . . 4.940 4.552 4.019 4.828 . 0 0 "[ . 1 . 2]" 1 1370 1 68 ILE MG 1 76 VAL HA . . 3.860 3.432 3.236 3.594 . 0 0 "[ . 1 . 2]" 1 1371 1 68 ILE MG 1 77 LEU H . . 4.930 4.299 4.082 4.436 . 0 0 "[ . 1 . 2]" 1 1372 1 69 SER H 1 69 SER HB2 . . 3.410 2.705 2.568 2.901 . 0 0 "[ . 1 . 2]" 1 1373 1 69 SER H 1 69 SER HB3 . . 3.390 2.295 2.181 2.398 . 0 0 "[ . 1 . 2]" 1 1374 1 69 SER H 1 75 GLU H . . 4.870 4.289 3.543 4.708 . 0 0 "[ . 1 . 2]" 1 1375 1 69 SER H 1 75 GLU HB3 . . 4.550 2.901 2.719 3.258 . 0 0 "[ . 1 . 2]" 1 1376 1 69 SER H 1 76 VAL HA . . 4.310 3.828 3.662 4.024 . 0 0 "[ . 1 . 2]" 1 1377 1 69 SER H 1 77 LEU H . . 4.780 3.583 3.336 3.881 . 0 0 "[ . 1 . 2]" 1 1378 1 69 SER H 1 77 LEU MD1 . . 3.970 3.097 2.606 3.451 . 0 0 "[ . 1 . 2]" 1 1379 1 69 SER H 1 77 LEU HG . . 4.230 3.564 3.019 3.981 . 0 0 "[ . 1 . 2]" 1 1380 1 69 SER HA 1 70 GLU H . . 3.080 2.541 2.372 2.666 . 0 0 "[ . 1 . 2]" 1 1381 1 69 SER HA 1 70 GLU QB . . 4.720 4.185 4.124 4.242 . 0 0 "[ . 1 . 2]" 1 1382 1 69 SER HA 1 71 LYS H . . 4.640 4.551 4.342 4.654 0.014 15 0 "[ . 1 . 2]" 1 1383 1 69 SER HA 1 75 GLU HB3 . . 4.820 4.767 4.681 4.844 0.024 20 0 "[ . 1 . 2]" 1 1384 1 69 SER HA 1 77 LEU MD1 . . 2.980 1.986 1.782 2.179 . 0 0 "[ . 1 . 2]" 1 1385 1 69 SER HB2 1 70 GLU H . . 4.210 3.685 3.478 3.983 . 0 0 "[ . 1 . 2]" 1 1386 1 69 SER HB2 1 75 GLU HB3 . . 3.900 2.935 2.653 3.313 . 0 0 "[ . 1 . 2]" 1 1387 1 69 SER HB2 1 75 GLU HG2 . . 4.590 4.057 1.992 5.322 0.732 12 1 "[ . 1 + . 2]" 1 1388 1 69 SER HB2 1 77 LEU MD1 . . 3.470 2.450 2.187 2.703 . 0 0 "[ . 1 . 2]" 1 1389 1 69 SER HB2 1 77 LEU MD2 . . 3.690 3.236 2.716 3.663 . 0 0 "[ . 1 . 2]" 1 1390 1 69 SER HB2 1 77 LEU HG . . 4.390 2.921 2.442 3.438 . 0 0 "[ . 1 . 2]" 1 1391 1 69 SER HB3 1 70 GLU H . . 4.180 3.730 3.579 3.967 . 0 0 "[ . 1 . 2]" 1 1392 1 69 SER HB3 1 72 ASN H . . 4.940 3.706 2.620 4.453 . 0 0 "[ . 1 . 2]" 1 1393 1 69 SER HB3 1 72 ASN HB2 . . 4.920 2.849 2.061 4.797 . 0 0 "[ . 1 . 2]" 1 1394 1 69 SER HB3 1 72 ASN HB3 . . 4.870 3.461 2.496 4.575 . 0 0 "[ . 1 . 2]" 1 1395 1 69 SER HB3 1 75 GLU H . . 4.410 4.195 3.765 4.418 0.008 17 0 "[ . 1 . 2]" 1 1396 1 69 SER HB3 1 75 GLU HB3 . . 3.800 2.325 2.027 2.623 . 0 0 "[ . 1 . 2]" 1 1397 1 69 SER HB3 1 77 LEU MD1 . . 3.770 3.706 3.515 3.786 0.016 20 0 "[ . 1 . 2]" 1 1398 1 69 SER HB3 1 77 LEU HG . . 4.820 4.227 3.695 4.632 . 0 0 "[ . 1 . 2]" 1 1399 1 70 GLU H 1 70 GLU QB . . 3.500 2.115 2.067 2.196 . 0 0 "[ . 1 . 2]" 1 1400 1 70 GLU H 1 70 GLU HG2 . . 3.920 3.973 3.962 3.990 0.070 16 0 "[ . 1 . 2]" 1 1401 1 70 GLU H 1 71 LYS H . . 3.850 2.439 2.244 2.747 . 0 0 "[ . 1 . 2]" 1 1402 1 70 GLU HA 1 70 GLU HG3 . . 3.250 2.849 2.818 2.890 . 0 0 "[ . 1 . 2]" 1 1403 1 70 GLU QB 1 71 LYS H . . 4.240 2.799 2.611 3.000 . 0 0 "[ . 1 . 2]" 1 1404 1 70 GLU HG2 1 71 LYS H . . 4.870 2.980 2.525 3.298 . 0 0 "[ . 1 . 2]" 1 1405 1 70 GLU HG2 1 71 LYS HA . . 4.670 3.204 2.985 3.378 . 0 0 "[ . 1 . 2]" 1 1406 1 71 LYS H 1 71 LYS HB2 . . 3.830 2.325 2.038 3.539 . 0 0 "[ . 1 . 2]" 1 1407 1 71 LYS H 1 71 LYS HB3 . . 3.720 3.270 2.363 3.535 . 0 0 "[ . 1 . 2]" 1 1408 1 71 LYS H 1 71 LYS HG2 . . 4.450 3.793 2.836 4.498 0.048 16 0 "[ . 1 . 2]" 1 1409 1 71 LYS H 1 71 LYS HG3 . . 4.420 3.720 1.994 4.369 . 0 0 "[ . 1 . 2]" 1 1410 1 71 LYS H 1 72 ASN H . . 4.260 3.202 2.680 3.615 . 0 0 "[ . 1 . 2]" 1 1411 1 71 LYS HA 1 71 LYS HD2 . . 4.000 3.575 2.390 4.228 0.228 17 0 "[ . 1 . 2]" 1 1412 1 71 LYS HA 1 71 LYS HG2 . . 3.780 2.911 2.043 4.142 0.362 2 0 "[ . 1 . 2]" 1 1413 1 71 LYS HA 1 71 LYS HG3 . . 4.000 2.847 1.985 3.646 . 0 0 "[ . 1 . 2]" 1 1414 1 71 LYS HB2 1 72 ASN H . . 4.630 3.608 2.101 4.691 0.061 20 0 "[ . 1 . 2]" 1 1415 1 71 LYS HB3 1 72 ASN H . . 4.630 3.555 1.946 4.589 . 0 0 "[ . 1 . 2]" 1 1416 1 71 LYS HE2 1 71 LYS HG2 . . 4.140 2.740 1.984 3.607 . 0 0 "[ . 1 . 2]" 1 1417 1 71 LYS HE3 1 71 LYS HG3 . . 4.280 2.967 2.027 3.993 . 0 0 "[ . 1 . 2]" 1 1418 1 72 ASN H 1 73 GLU H . . 4.960 4.280 3.288 4.673 . 0 0 "[ . 1 . 2]" 1 1419 1 72 ASN HA 1 73 GLU H . . 3.040 2.449 2.253 2.754 . 0 0 "[ . 1 . 2]" 1 1420 1 72 ASN HB2 1 73 GLU H . . 4.640 4.142 3.650 4.674 0.034 14 0 "[ . 1 . 2]" 1 1421 1 72 ASN HB2 1 74 GLU H . . 5.260 4.632 3.662 5.666 0.406 4 0 "[ . 1 . 2]" 1 1422 1 72 ASN HB2 1 75 GLU H . . 4.650 3.735 2.914 4.407 . 0 0 "[ . 1 . 2]" 1 1423 1 72 ASN HB2 1 75 GLU HB2 . . 4.090 2.748 2.008 3.723 . 0 0 "[ . 1 . 2]" 1 1424 1 72 ASN HB2 1 75 GLU HB3 . . 4.190 3.240 2.255 4.212 0.022 13 0 "[ . 1 . 2]" 1 1425 1 72 ASN HB3 1 73 GLU H . . 4.540 3.004 2.362 4.008 . 0 0 "[ . 1 . 2]" 1 1426 1 72 ASN HB3 1 75 GLU HB2 . . 4.270 2.287 1.996 3.353 . 0 0 "[ . 1 . 2]" 1 1427 1 72 ASN HB3 1 75 GLU HB3 . . 4.470 3.109 1.993 4.011 . 0 0 "[ . 1 . 2]" 1 1428 1 72 ASN HD21 1 75 GLU HB2 . . 4.920 3.324 2.423 4.571 . 0 0 "[ . 1 . 2]" 1 1429 1 72 ASN HD22 1 75 GLU HB2 . . 5.050 4.262 3.135 5.061 0.011 18 0 "[ . 1 . 2]" 1 1430 1 73 GLU H 1 73 GLU HB2 . . 3.760 2.572 2.125 3.742 . 0 0 "[ . 1 . 2]" 1 1431 1 73 GLU H 1 73 GLU HB3 . . 3.650 3.530 2.670 3.781 0.131 6 0 "[ . 1 . 2]" 1 1432 1 73 GLU H 1 73 GLU QG . . 3.460 3.151 2.457 3.361 . 0 0 "[ . 1 . 2]" 1 1433 1 73 GLU H 1 74 GLU H . . 3.780 2.296 1.892 3.569 . 0 0 "[ . 1 . 2]" 1 1434 1 73 GLU HA 1 73 GLU QG . . 3.290 2.388 2.163 3.380 0.090 18 0 "[ . 1 . 2]" 1 1435 1 73 GLU HA 1 74 GLU H . . 3.560 3.320 2.474 3.631 0.071 4 0 "[ . 1 . 2]" 1 1436 1 73 GLU HB3 1 74 GLU H . . 4.440 3.970 3.325 4.451 0.011 2 0 "[ . 1 . 2]" 1 1437 1 74 GLU H 1 74 GLU HB2 . . 3.950 2.993 2.060 4.062 0.112 8 0 "[ . 1 . 2]" 1 1438 1 74 GLU H 1 74 GLU HB3 . . 3.590 3.280 2.610 3.678 0.088 8 0 "[ . 1 . 2]" 1 1439 1 74 GLU H 1 74 GLU HG2 . . 3.710 3.127 2.009 4.512 0.802 17 2 "[ . 1 . + -2]" 1 1440 1 74 GLU H 1 74 GLU HG3 . . 5.140 3.200 2.007 4.137 . 0 0 "[ . 1 . 2]" 1 1441 1 74 GLU H 1 75 GLU H . . 3.290 2.260 1.859 2.706 . 0 0 "[ . 1 . 2]" 1 1442 1 74 GLU HA 1 74 GLU HG2 . . 3.590 3.098 2.071 4.157 0.567 20 2 "[ . 1 -. +]" 1 1443 1 74 GLU HA 1 75 GLU H . . 3.520 3.462 3.114 3.610 0.090 2 0 "[ . 1 . 2]" 1 1444 1 74 GLU HA 1 76 VAL QG . . 4.290 4.170 3.668 4.258 . 0 0 "[ . 1 . 2]" 1 1445 1 74 GLU HB2 1 74 GLU HG2 . . 2.990 2.888 2.639 3.020 0.030 7 0 "[ . 1 . 2]" 1 1446 1 75 GLU H 1 75 GLU HB2 . . 3.510 2.241 2.069 3.102 . 0 0 "[ . 1 . 2]" 1 1447 1 75 GLU H 1 75 GLU HB3 . . 3.490 2.871 2.328 3.052 . 0 0 "[ . 1 . 2]" 1 1448 1 75 GLU H 1 75 GLU HG2 . . 4.610 4.476 4.079 4.592 . 0 0 "[ . 1 . 2]" 1 1449 1 75 GLU H 1 75 GLU HG3 . . 4.090 4.105 3.841 4.545 0.455 12 0 "[ . 1 . 2]" 1 1450 1 75 GLU H 1 76 VAL H . . 4.680 4.298 3.743 4.660 . 0 0 "[ . 1 . 2]" 1 1451 1 75 GLU HA 1 75 GLU HG2 . . 3.690 2.831 2.375 3.547 . 0 0 "[ . 1 . 2]" 1 1452 1 75 GLU HA 1 75 GLU HG3 . . 3.570 2.368 2.137 3.570 . 0 0 "[ . 1 . 2]" 1 1453 1 75 GLU HA 1 76 VAL H . . 2.790 2.291 2.203 2.495 . 0 0 "[ . 1 . 2]" 1 1454 1 75 GLU HA 1 76 VAL QG . . 3.880 3.492 3.317 3.764 . 0 0 "[ . 1 . 2]" 1 1455 1 75 GLU HB2 1 76 VAL H . . 4.650 4.611 4.130 4.738 0.088 13 0 "[ . 1 . 2]" 1 1456 1 75 GLU HB3 1 76 VAL H . . 4.480 4.171 3.308 4.627 0.147 15 0 "[ . 1 . 2]" 1 1457 1 75 GLU HG2 1 76 VAL H . . 4.450 3.728 2.178 4.662 0.212 19 0 "[ . 1 . 2]" 1 1458 1 75 GLU HG3 1 76 VAL H . . 4.620 3.979 2.937 4.653 0.033 8 0 "[ . 1 . 2]" 1 1459 1 76 VAL H 1 76 VAL HB . . 3.310 2.880 2.282 3.304 . 0 0 "[ . 1 . 2]" 1 1460 1 76 VAL H 1 76 VAL QG . . 3.070 2.103 1.789 2.967 . 0 0 "[ . 1 . 2]" 1 1461 1 76 VAL H 1 77 LEU H . . 5.300 4.117 3.666 4.435 . 0 0 "[ . 1 . 2]" 1 1462 1 76 VAL HA 1 76 VAL QG . . 3.100 2.362 2.062 2.503 . 0 0 "[ . 1 . 2]" 1 1463 1 76 VAL HA 1 77 LEU H . . 3.020 2.241 2.191 2.269 . 0 0 "[ . 1 . 2]" 1 1464 1 76 VAL HA 1 77 LEU HA . . 4.440 4.447 4.390 4.475 0.035 17 0 "[ . 1 . 2]" 1 1465 1 76 VAL HA 1 77 LEU HB2 . . 4.680 4.492 4.411 4.566 . 0 0 "[ . 1 . 2]" 1 1466 1 76 VAL HA 1 77 LEU HG . . 4.430 4.280 4.026 4.431 0.001 7 0 "[ . 1 . 2]" 1 1467 1 76 VAL HA 1 78 VAL H . . 4.400 3.923 3.641 4.195 . 0 0 "[ . 1 . 2]" 1 1468 1 76 VAL HB 1 77 LEU H . . 4.980 4.452 4.300 4.600 . 0 0 "[ . 1 . 2]" 1 1469 1 76 VAL QG 1 77 LEU H . . 3.570 3.278 3.014 3.380 . 0 0 "[ . 1 . 2]" 1 1470 1 76 VAL QG 1 77 LEU HA . . 4.400 4.065 3.886 4.271 . 0 0 "[ . 1 . 2]" 1 1471 1 76 VAL QG 1 77 LEU HB2 . . 5.220 4.499 4.411 4.599 . 0 0 "[ . 1 . 2]" 1 1472 1 76 VAL QG 1 78 VAL H . . 3.500 2.903 2.685 3.293 . 0 0 "[ . 1 . 2]" 1 1473 1 76 VAL QG 1 78 VAL HA . . 4.090 3.514 3.359 3.776 . 0 0 "[ . 1 . 2]" 1 1474 1 76 VAL QG 1 79 GLU H . . 4.220 3.683 3.544 3.850 . 0 0 "[ . 1 . 2]" 1 1475 1 76 VAL QG 1 79 GLU HA . . 4.480 3.115 2.949 3.309 . 0 0 "[ . 1 . 2]" 1 1476 1 76 VAL QG 1 79 GLU HB2 . . 3.380 2.104 1.970 2.401 . 0 0 "[ . 1 . 2]" 1 1477 1 76 VAL QG 1 79 GLU HG2 . . 4.420 4.229 4.097 4.307 . 0 0 "[ . 1 . 2]" 1 1478 1 76 VAL QG 1 79 GLU HG3 . . 4.350 3.312 3.079 3.716 . 0 0 "[ . 1 . 2]" 1 1479 1 76 VAL QG 1 80 CYS H . . 5.130 4.844 4.686 5.005 . 0 0 "[ . 1 . 2]" 1 1480 1 77 LEU H 1 77 LEU HB2 . . 3.950 2.387 2.329 2.439 . 0 0 "[ . 1 . 2]" 1 1481 1 77 LEU H 1 77 LEU MD1 . . 3.960 3.059 2.814 3.244 . 0 0 "[ . 1 . 2]" 1 1482 1 77 LEU H 1 77 LEU MD2 . . 3.800 3.793 3.712 3.824 0.024 8 0 "[ . 1 . 2]" 1 1483 1 77 LEU H 1 77 LEU HG . . 3.600 2.364 2.287 2.431 . 0 0 "[ . 1 . 2]" 1 1484 1 77 LEU H 1 78 VAL H . . 3.750 2.825 2.573 2.984 . 0 0 "[ . 1 . 2]" 1 1485 1 77 LEU HA 1 77 LEU MD2 . . 3.170 2.434 2.243 2.579 . 0 0 "[ . 1 . 2]" 1 1486 1 77 LEU HA 1 77 LEU HG . . 3.820 2.669 2.612 2.787 . 0 0 "[ . 1 . 2]" 1 1487 1 77 LEU HB2 1 77 LEU MD1 . . 3.590 2.062 1.957 2.225 . 0 0 "[ . 1 . 2]" 1 1488 1 77 LEU HB2 1 77 LEU MD2 . . 3.210 3.144 3.106 3.186 . 0 0 "[ . 1 . 2]" 1 1489 1 77 LEU HB2 1 78 VAL H . . 4.270 2.506 2.257 2.732 . 0 0 "[ . 1 . 2]" 1 1490 1 77 LEU HB2 1 78 VAL MG2 . . 3.830 3.788 3.662 3.851 0.021 2 0 "[ . 1 . 2]" 1 1491 1 77 LEU HB3 1 77 LEU MD1 . . 3.400 2.692 2.602 2.774 . 0 0 "[ . 1 . 2]" 1 1492 1 77 LEU HB3 1 77 LEU MD2 . . 2.990 2.198 2.086 2.280 . 0 0 "[ . 1 . 2]" 1 1493 1 77 LEU HB3 1 78 VAL H . . 4.640 3.452 3.255 3.686 . 0 0 "[ . 1 . 2]" 1 1494 1 77 LEU HB3 1 78 VAL MG2 . . 3.870 3.231 3.121 3.411 . 0 0 "[ . 1 . 2]" 1 1495 1 77 LEU MD1 1 78 VAL H . . 4.650 4.133 3.936 4.326 . 0 0 "[ . 1 . 2]" 1 1496 1 77 LEU HG 1 78 VAL H . . 4.900 4.528 4.445 4.621 . 0 0 "[ . 1 . 2]" 1 1497 1 78 VAL H 1 78 VAL HB . . 4.170 2.580 2.465 2.704 . 0 0 "[ . 1 . 2]" 1 1498 1 78 VAL H 1 78 VAL MG1 . . 4.070 3.674 3.606 3.747 . 0 0 "[ . 1 . 2]" 1 1499 1 78 VAL H 1 78 VAL MG2 . . 4.050 3.311 3.155 3.407 . 0 0 "[ . 1 . 2]" 1 1500 1 78 VAL H 1 79 GLU H . . 5.220 4.396 4.322 4.454 . 0 0 "[ . 1 . 2]" 1 1501 1 78 VAL HA 1 78 VAL MG1 . . 3.240 2.601 2.544 2.650 . 0 0 "[ . 1 . 2]" 1 1502 1 78 VAL HA 1 78 VAL MG2 . . 3.490 2.115 2.059 2.267 . 0 0 "[ . 1 . 2]" 1 1503 1 78 VAL HA 1 79 GLU H . . 2.820 2.304 2.254 2.366 . 0 0 "[ . 1 . 2]" 1 1504 1 78 VAL HA 1 79 GLU HA . . 4.560 4.372 4.349 4.396 . 0 0 "[ . 1 . 2]" 1 1505 1 78 VAL HA 1 79 GLU HB3 . . 4.570 4.525 4.468 4.589 0.019 1 0 "[ . 1 . 2]" 1 1506 1 78 VAL HB 1 79 GLU H . . 4.770 4.179 4.064 4.284 . 0 0 "[ . 1 . 2]" 1 1507 1 78 VAL HB 1 111 HIS HE1 . . 4.590 4.582 4.353 4.626 0.036 12 0 "[ . 1 . 2]" 1 1508 1 78 VAL HB 1 113 PHE HZ . . 4.980 3.709 3.584 3.875 . 0 0 "[ . 1 . 2]" 1 1509 1 78 VAL MG1 1 79 GLU H . . 3.490 2.235 2.062 2.490 . 0 0 "[ . 1 . 2]" 1 1510 1 78 VAL MG1 1 79 GLU HA . . 4.060 3.335 3.199 3.464 . 0 0 "[ . 1 . 2]" 1 1511 1 78 VAL MG1 1 80 CYS H . . 4.290 3.200 2.926 3.720 . 0 0 "[ . 1 . 2]" 1 1512 1 78 VAL MG1 1 80 CYS HB2 . . 3.980 3.258 2.762 3.729 . 0 0 "[ . 1 . 2]" 1 1513 1 78 VAL MG1 1 99 PHE QE . . 3.970 3.932 3.699 4.001 0.031 14 0 "[ . 1 . 2]" 1 1514 1 78 VAL MG1 1 101 MET ME . . 3.470 3.376 3.263 3.501 0.031 11 0 "[ . 1 . 2]" 1 1515 1 78 VAL MG1 1 111 HIS HB3 . . 4.690 3.961 3.646 4.344 . 0 0 "[ . 1 . 2]" 1 1516 1 78 VAL MG1 1 111 HIS HD2 . . 4.160 3.933 3.696 4.161 0.001 9 0 "[ . 1 . 2]" 1 1517 1 78 VAL MG1 1 111 HIS HE1 . . 4.100 2.868 2.431 3.189 . 0 0 "[ . 1 . 2]" 1 1518 1 78 VAL MG1 1 113 PHE QE . . 4.490 4.217 4.115 4.281 . 0 0 "[ . 1 . 2]" 1 1519 1 78 VAL MG1 1 113 PHE HZ . . 3.390 3.378 3.240 3.412 0.022 2 0 "[ . 1 . 2]" 1 1520 1 78 VAL MG2 1 79 GLU H . . 3.790 3.638 3.493 3.777 . 0 0 "[ . 1 . 2]" 1 1521 1 78 VAL MG2 1 111 HIS HE1 . . 3.780 2.030 1.969 2.254 . 0 0 "[ . 1 . 2]" 1 1522 1 78 VAL MG2 1 113 PHE QE . . 4.660 4.409 4.239 4.533 . 0 0 "[ . 1 . 2]" 1 1523 1 78 VAL MG2 1 113 PHE HZ . . 3.970 3.922 3.790 4.011 0.041 12 0 "[ . 1 . 2]" 1 1524 1 79 GLU H 1 79 GLU HB3 . . 3.960 2.678 2.605 2.766 . 0 0 "[ . 1 . 2]" 1 1525 1 79 GLU H 1 79 GLU HG2 . . 4.670 4.421 4.329 4.584 . 0 0 "[ . 1 . 2]" 1 1526 1 79 GLU H 1 79 GLU HG3 . . 5.000 4.757 4.488 4.920 . 0 0 "[ . 1 . 2]" 1 1527 1 79 GLU H 1 80 CYS H . . 5.160 3.985 3.831 4.218 . 0 0 "[ . 1 . 2]" 1 1528 1 79 GLU H 1 101 MET ME . . 4.200 4.209 4.151 4.235 0.035 14 0 "[ . 1 . 2]" 1 1529 1 79 GLU HA 1 79 GLU HG2 . . 3.720 2.935 2.521 3.552 . 0 0 "[ . 1 . 2]" 1 1530 1 79 GLU HA 1 79 GLU HG3 . . 3.980 2.750 2.355 3.255 . 0 0 "[ . 1 . 2]" 1 1531 1 79 GLU HA 1 80 CYS H . . 3.070 2.236 2.202 2.264 . 0 0 "[ . 1 . 2]" 1 1532 1 79 GLU HB2 1 80 CYS H . . 4.680 4.542 4.419 4.608 . 0 0 "[ . 1 . 2]" 1 1533 1 79 GLU HB3 1 80 CYS H . . 4.770 4.508 4.394 4.560 . 0 0 "[ . 1 . 2]" 1 1534 1 79 GLU HG2 1 80 CYS H . . 4.360 3.594 2.887 4.402 0.042 1 0 "[ . 1 . 2]" 1 1535 1 79 GLU HG3 1 80 CYS H . . 4.400 4.019 3.017 4.404 0.004 12 0 "[ . 1 . 2]" 1 1536 1 80 CYS H 1 80 CYS HB2 . . 3.930 2.577 2.392 2.915 . 0 0 "[ . 1 . 2]" 1 1537 1 80 CYS H 1 80 CYS HB3 . . 3.740 3.344 2.745 3.720 . 0 0 "[ . 1 . 2]" 1 1538 1 80 CYS HA 1 81 ARG H . . 2.990 2.361 2.320 2.380 . 0 0 "[ . 1 . 2]" 1 1539 1 80 CYS HA 1 81 ARG HG3 . . 4.010 3.756 3.501 3.988 . 0 0 "[ . 1 . 2]" 1 1540 1 80 CYS HA 1 101 MET ME . . 3.230 2.472 1.999 2.828 . 0 0 "[ . 1 . 2]" 1 1541 1 80 CYS HB2 1 81 ARG H . . 4.810 4.109 3.879 4.282 . 0 0 "[ . 1 . 2]" 1 1542 1 80 CYS HB2 1 99 PHE QE . . 4.370 3.150 2.718 3.474 . 0 0 "[ . 1 . 2]" 1 1543 1 80 CYS HB2 1 99 PHE HZ . . 4.660 2.582 2.065 2.964 . 0 0 "[ . 1 . 2]" 1 1544 1 80 CYS HB2 1 101 MET ME . . 4.440 3.660 2.849 4.210 . 0 0 "[ . 1 . 2]" 1 1545 1 80 CYS HB3 1 81 ARG H . . 4.750 3.168 2.807 3.802 . 0 0 "[ . 1 . 2]" 1 1546 1 80 CYS HB3 1 99 PHE QE . . 4.360 3.054 2.030 3.745 . 0 0 "[ . 1 . 2]" 1 1547 1 80 CYS HB3 1 99 PHE HZ . . 4.840 3.388 3.004 3.626 . 0 0 "[ . 1 . 2]" 1 1548 1 80 CYS HB3 1 101 MET ME . . 4.610 3.501 2.499 4.429 . 0 0 "[ . 1 . 2]" 1 1549 1 81 ARG H 1 81 ARG HB2 . . 3.300 2.566 2.495 2.654 . 0 0 "[ . 1 . 2]" 1 1550 1 81 ARG H 1 81 ARG HB3 . . 4.140 3.712 3.659 3.765 . 0 0 "[ . 1 . 2]" 1 1551 1 81 ARG H 1 81 ARG QD . . 4.510 3.905 3.465 4.208 . 0 0 "[ . 1 . 2]" 1 1552 1 81 ARG H 1 81 ARG HG2 . . 4.960 4.315 4.139 4.430 . 0 0 "[ . 1 . 2]" 1 1553 1 81 ARG H 1 81 ARG HG3 . . 3.810 3.093 2.881 3.263 . 0 0 "[ . 1 . 2]" 1 1554 1 81 ARG H 1 82 VAL H . . 5.010 4.429 4.372 4.506 . 0 0 "[ . 1 . 2]" 1 1555 1 81 ARG H 1 84 PHE QD . . 4.650 3.651 2.975 4.280 . 0 0 "[ . 1 . 2]" 1 1556 1 81 ARG H 1 101 MET ME . . 3.930 3.473 2.827 3.926 . 0 0 "[ . 1 . 2]" 1 1557 1 81 ARG HA 1 82 VAL H . . 3.280 2.392 2.260 2.773 . 0 0 "[ . 1 . 2]" 1 1558 1 81 ARG HB2 1 81 ARG QD . . 3.140 2.174 2.006 2.315 . 0 0 "[ . 1 . 2]" 1 1559 1 81 ARG HB2 1 82 VAL H . . 4.450 3.966 3.231 4.285 . 0 0 "[ . 1 . 2]" 1 1560 1 81 ARG HB2 1 83 ARG H . . 4.380 3.295 3.007 3.517 . 0 0 "[ . 1 . 2]" 1 1561 1 81 ARG HB2 1 83 ARG HB3 . . 4.930 4.827 4.564 4.950 0.020 11 0 "[ . 1 . 2]" 1 1562 1 81 ARG HB2 1 83 ARG HG2 . . 4.410 3.305 3.067 3.578 . 0 0 "[ . 1 . 2]" 1 1563 1 81 ARG HB2 1 84 PHE H . . 4.830 2.739 2.477 3.021 . 0 0 "[ . 1 . 2]" 1 1564 1 81 ARG HB2 1 84 PHE QD . . 3.980 2.333 2.000 2.634 . 0 0 "[ . 1 . 2]" 1 1565 1 81 ARG HB2 1 84 PHE QE . . 5.500 4.387 3.675 4.830 . 0 0 "[ . 1 . 2]" 1 1566 1 81 ARG HB3 1 81 ARG QD . . 3.650 2.744 2.533 2.934 . 0 0 "[ . 1 . 2]" 1 1567 1 81 ARG HB3 1 82 VAL H . . 4.360 2.848 1.927 3.255 . 0 0 "[ . 1 . 2]" 1 1568 1 81 ARG HB3 1 83 ARG H . . 4.200 2.367 2.236 2.486 . 0 0 "[ . 1 . 2]" 1 1569 1 81 ARG HB3 1 83 ARG HB3 . . 5.100 3.821 3.543 4.103 . 0 0 "[ . 1 . 2]" 1 1570 1 81 ARG HB3 1 83 ARG HG2 . . 4.260 2.751 2.203 3.641 . 0 0 "[ . 1 . 2]" 1 1571 1 81 ARG HB3 1 84 PHE QD . . 4.530 3.840 3.605 4.160 . 0 0 "[ . 1 . 2]" 1 1572 1 81 ARG QD 1 84 PHE QD . . 4.660 2.043 1.938 2.351 . 0 0 "[ . 1 . 2]" 1 1573 1 81 ARG QD 1 84 PHE QE . . 4.280 2.803 1.972 3.337 . 0 0 "[ . 1 . 2]" 1 1574 1 81 ARG HG2 1 82 VAL H . . 4.860 4.216 3.644 4.532 . 0 0 "[ . 1 . 2]" 1 1575 1 81 ARG HG3 1 82 VAL H . . 4.850 4.686 4.412 4.859 0.009 15 0 "[ . 1 . 2]" 1 1576 1 82 VAL H 1 82 VAL HB . . 3.890 3.540 3.507 3.643 . 0 0 "[ . 1 . 2]" 1 1577 1 82 VAL H 1 82 VAL MG1 . . 3.180 2.080 1.889 2.608 . 0 0 "[ . 1 . 2]" 1 1578 1 82 VAL H 1 82 VAL MG2 . . 3.150 2.211 1.939 2.490 . 0 0 "[ . 1 . 2]" 1 1579 1 82 VAL H 1 83 ARG H . . 4.010 2.521 2.063 2.668 . 0 0 "[ . 1 . 2]" 1 1580 1 82 VAL H 1 83 ARG HA . . 5.090 5.020 4.657 5.139 0.049 8 0 "[ . 1 . 2]" 1 1581 1 82 VAL HA 1 82 VAL MG1 . . 3.140 2.438 2.347 2.478 . 0 0 "[ . 1 . 2]" 1 1582 1 82 VAL HA 1 82 VAL MG2 . . 3.500 3.207 3.192 3.216 . 0 0 "[ . 1 . 2]" 1 1583 1 82 VAL HA 1 83 ARG HA . . 4.690 4.673 4.641 4.738 0.048 17 0 "[ . 1 . 2]" 1 1584 1 82 VAL HA 1 84 PHE H . . 4.240 3.798 3.604 4.113 . 0 0 "[ . 1 . 2]" 1 1585 1 82 VAL HA 1 85 LEU H . . 3.840 3.050 2.915 3.192 . 0 0 "[ . 1 . 2]" 1 1586 1 82 VAL HA 1 85 LEU HB2 . . 3.350 1.989 1.942 2.033 . 0 0 "[ . 1 . 2]" 1 1587 1 82 VAL HA 1 85 LEU HB3 . . 3.790 3.450 3.338 3.557 . 0 0 "[ . 1 . 2]" 1 1588 1 82 VAL HA 1 85 LEU MD1 . . 3.680 2.231 2.116 2.345 . 0 0 "[ . 1 . 2]" 1 1589 1 82 VAL HA 1 85 LEU MD2 . . 4.310 4.361 4.306 4.422 0.112 14 0 "[ . 1 . 2]" 1 1590 1 82 VAL HA 1 85 LEU HG . . 4.110 3.985 3.761 4.124 0.014 16 0 "[ . 1 . 2]" 1 1591 1 82 VAL HB 1 83 ARG H . . 4.430 4.199 3.995 4.327 . 0 0 "[ . 1 . 2]" 1 1592 1 82 VAL HB 1 85 LEU MD1 . . 4.160 3.561 3.329 3.782 . 0 0 "[ . 1 . 2]" 1 1593 1 82 VAL HB 1 130 CYS HA . . 3.930 2.041 1.990 2.247 . 0 0 "[ . 1 . 2]" 1 1594 1 82 VAL MG1 1 83 ARG H . . 4.320 3.949 3.861 4.018 . 0 0 "[ . 1 . 2]" 1 1595 1 82 VAL MG1 1 85 LEU MD1 . . 2.910 2.783 2.653 2.912 0.002 17 0 "[ . 1 . 2]" 1 1596 1 82 VAL MG1 1 129 ALA H . . 4.170 4.062 3.734 4.202 0.032 19 0 "[ . 1 . 2]" 1 1597 1 82 VAL MG1 1 129 ALA HA . . 4.330 4.053 3.825 4.213 . 0 0 "[ . 1 . 2]" 1 1598 1 82 VAL MG1 1 129 ALA MB . . 2.850 1.807 1.712 1.937 . 0 0 "[ . 1 . 2]" 1 1599 1 82 VAL MG1 1 130 CYS H . . 4.090 2.931 2.703 3.525 . 0 0 "[ . 1 . 2]" 1 1600 1 82 VAL MG1 1 130 CYS HA . . 3.420 3.253 2.844 3.438 0.018 12 0 "[ . 1 . 2]" 1 1601 1 82 VAL MG2 1 83 ARG H . . 3.590 2.314 1.950 2.533 . 0 0 "[ . 1 . 2]" 1 1602 1 82 VAL MG2 1 129 ALA MB . . 3.540 2.832 2.199 3.407 . 0 0 "[ . 1 . 2]" 1 1603 1 82 VAL MG2 1 130 CYS H . . 4.340 4.066 3.844 4.348 0.008 18 0 "[ . 1 . 2]" 1 1604 1 82 VAL MG2 1 130 CYS HA . . 3.190 2.540 1.900 3.195 0.005 18 0 "[ . 1 . 2]" 1 1605 1 83 ARG H 1 83 ARG HB2 . . 3.620 3.570 3.527 3.591 . 0 0 "[ . 1 . 2]" 1 1606 1 83 ARG H 1 83 ARG HB3 . . 3.550 2.506 2.314 2.658 . 0 0 "[ . 1 . 2]" 1 1607 1 83 ARG H 1 83 ARG HG2 . . 3.640 2.959 2.706 3.199 . 0 0 "[ . 1 . 2]" 1 1608 1 83 ARG H 1 83 ARG HG3 . . 4.420 2.583 1.904 4.039 . 0 0 "[ . 1 . 2]" 1 1609 1 83 ARG H 1 85 LEU H . . 4.860 3.750 3.632 3.902 . 0 0 "[ . 1 . 2]" 1 1610 1 83 ARG HA 1 83 ARG QD . . 4.580 3.886 3.634 4.125 . 0 0 "[ . 1 . 2]" 1 1611 1 83 ARG HA 1 83 ARG HG3 . . 3.990 3.675 3.556 4.089 0.099 14 0 "[ . 1 . 2]" 1 1612 1 83 ARG HA 1 85 LEU H . . 4.380 4.001 3.811 4.326 . 0 0 "[ . 1 . 2]" 1 1613 1 83 ARG HB2 1 84 PHE H . . 4.610 4.214 3.927 4.376 . 0 0 "[ . 1 . 2]" 1 1614 1 83 ARG HB3 1 84 PHE H . . 4.570 4.120 4.005 4.277 . 0 0 "[ . 1 . 2]" 1 1615 1 83 ARG QD 1 84 PHE QB . . 4.190 3.483 2.881 4.056 . 0 0 "[ . 1 . 2]" 1 1616 1 83 ARG QD 1 84 PHE QE . . 5.040 3.471 2.940 3.693 . 0 0 "[ . 1 . 2]" 1 1617 1 83 ARG QD 1 84 PHE HZ . . 4.650 4.231 3.538 4.490 . 0 0 "[ . 1 . 2]" 1 1618 1 83 ARG HG2 1 84 PHE H . . 4.500 3.599 2.426 4.235 . 0 0 "[ . 1 . 2]" 1 1619 1 83 ARG HG3 1 84 PHE H . . 4.630 2.599 1.943 4.166 . 0 0 "[ . 1 . 2]" 1 1620 1 83 ARG HG3 1 84 PHE HA . . 5.170 4.039 3.719 4.520 . 0 0 "[ . 1 . 2]" 1 1621 1 83 ARG HG3 1 84 PHE QD . . 4.760 3.359 2.842 3.714 . 0 0 "[ . 1 . 2]" 1 1622 1 83 ARG HG3 1 84 PHE QE . . 4.950 4.471 3.044 4.987 0.037 16 0 "[ . 1 . 2]" 1 1623 1 84 PHE H 1 84 PHE QB . . 3.710 2.124 1.991 2.316 . 0 0 "[ . 1 . 2]" 1 1624 1 84 PHE H 1 84 PHE QD . . 4.410 3.659 3.467 3.790 . 0 0 "[ . 1 . 2]" 1 1625 1 84 PHE H 1 85 LEU H . . 3.350 2.135 1.952 2.342 . 0 0 "[ . 1 . 2]" 1 1626 1 84 PHE H 1 85 LEU HB2 . . 4.810 3.756 3.653 4.046 . 0 0 "[ . 1 . 2]" 1 1627 1 84 PHE HA 1 84 PHE QD . . 3.520 2.109 1.928 2.523 . 0 0 "[ . 1 . 2]" 1 1628 1 84 PHE HA 1 84 PHE QE . . 5.280 4.260 4.176 4.365 . 0 0 "[ . 1 . 2]" 1 1629 1 84 PHE HA 1 102 ASP HB3 . . 4.790 3.449 2.412 4.056 . 0 0 "[ . 1 . 2]" 1 1630 1 84 PHE QB 1 85 LEU H . . 4.800 3.222 2.945 3.415 . 0 0 "[ . 1 . 2]" 1 1631 1 84 PHE QB 1 101 MET HA . . 5.070 4.274 3.857 4.692 . 0 0 "[ . 1 . 2]" 1 1632 1 84 PHE QB 1 101 MET ME . . 3.920 3.488 3.185 3.725 . 0 0 "[ . 1 . 2]" 1 1633 1 84 PHE QB 1 102 ASP H . . 4.370 2.702 2.022 3.273 . 0 0 "[ . 1 . 2]" 1 1634 1 84 PHE QB 1 102 ASP HB3 . . 4.620 3.357 2.329 3.932 . 0 0 "[ . 1 . 2]" 1 1635 1 84 PHE QD 1 102 ASP HB3 . . 4.900 3.066 2.006 4.813 . 0 0 "[ . 1 . 2]" 1 1636 1 85 LEU H 1 85 LEU HB2 . . 3.390 2.012 1.979 2.067 . 0 0 "[ . 1 . 2]" 1 1637 1 85 LEU H 1 85 LEU HB3 . . 3.600 3.185 3.132 3.233 . 0 0 "[ . 1 . 2]" 1 1638 1 85 LEU H 1 85 LEU MD1 . . 4.250 3.672 3.492 3.788 . 0 0 "[ . 1 . 2]" 1 1639 1 85 LEU H 1 85 LEU MD2 . . 4.420 4.356 4.327 4.398 . 0 0 "[ . 1 . 2]" 1 1640 1 85 LEU H 1 85 LEU HG . . 4.310 3.693 3.558 3.834 . 0 0 "[ . 1 . 2]" 1 1641 1 85 LEU H 1 86 SER H . . 5.220 4.644 4.627 4.672 . 0 0 "[ . 1 . 2]" 1 1642 1 85 LEU HA 1 85 LEU MD1 . . 4.260 3.632 3.569 3.670 . 0 0 "[ . 1 . 2]" 1 1643 1 85 LEU HA 1 85 LEU MD2 . . 3.710 2.766 2.683 2.891 . 0 0 "[ . 1 . 2]" 1 1644 1 85 LEU HA 1 85 LEU HG . . 3.460 2.207 2.152 2.247 . 0 0 "[ . 1 . 2]" 1 1645 1 85 LEU HA 1 86 SER H . . 3.150 2.383 2.270 2.594 . 0 0 "[ . 1 . 2]" 1 1646 1 85 LEU HA 1 87 PHE H . . 4.370 4.096 3.858 4.335 . 0 0 "[ . 1 . 2]" 1 1647 1 85 LEU HA 1 101 MET HA . . 3.590 2.207 2.000 2.412 . 0 0 "[ . 1 . 2]" 1 1648 1 85 LEU HA 1 102 ASP H . . 5.370 3.511 3.183 3.754 . 0 0 "[ . 1 . 2]" 1 1649 1 85 LEU HB2 1 85 LEU MD1 . . 3.480 2.187 2.133 2.231 . 0 0 "[ . 1 . 2]" 1 1650 1 85 LEU HB2 1 85 LEU MD2 . . 3.560 3.149 3.123 3.162 . 0 0 "[ . 1 . 2]" 1 1651 1 85 LEU HB2 1 86 SER H . . 4.890 4.214 3.929 4.378 . 0 0 "[ . 1 . 2]" 1 1652 1 85 LEU HB3 1 85 LEU MD1 . . 3.370 2.626 2.589 2.697 . 0 0 "[ . 1 . 2]" 1 1653 1 85 LEU HB3 1 85 LEU MD2 . . 3.340 2.105 2.036 2.164 . 0 0 "[ . 1 . 2]" 1 1654 1 85 LEU HB3 1 86 SER H . . 4.760 3.075 2.615 3.341 . 0 0 "[ . 1 . 2]" 1 1655 1 85 LEU MD1 1 86 SER H . . 4.700 4.521 4.222 4.750 0.050 11 0 "[ . 1 . 2]" 1 1656 1 85 LEU MD1 1 88 MET ME . . 3.740 2.203 1.894 2.461 . 0 0 "[ . 1 . 2]" 1 1657 1 85 LEU MD1 1 99 PHE HB2 . . 3.830 3.128 2.908 3.319 . 0 0 "[ . 1 . 2]" 1 1658 1 85 LEU MD1 1 99 PHE HB3 . . 3.860 3.871 3.800 3.907 0.047 14 0 "[ . 1 . 2]" 1 1659 1 85 LEU MD1 1 99 PHE QD . . 3.870 3.495 3.243 3.687 . 0 0 "[ . 1 . 2]" 1 1660 1 85 LEU MD1 1 99 PHE QE . . 4.960 4.109 3.739 4.469 . 0 0 "[ . 1 . 2]" 1 1661 1 85 LEU MD2 1 86 SER H . . 3.730 2.201 1.895 2.540 . 0 0 "[ . 1 . 2]" 1 1662 1 85 LEU MD2 1 87 PHE H . . 3.430 2.269 2.140 2.412 . 0 0 "[ . 1 . 2]" 1 1663 1 85 LEU MD2 1 87 PHE HA . . 4.250 3.509 3.369 3.707 . 0 0 "[ . 1 . 2]" 1 1664 1 85 LEU MD2 1 88 MET H . . 4.480 4.440 4.356 4.500 0.020 19 0 "[ . 1 . 2]" 1 1665 1 85 LEU MD2 1 88 MET HA . . 4.330 4.199 4.008 4.340 0.010 8 0 "[ . 1 . 2]" 1 1666 1 85 LEU MD2 1 88 MET HB3 . . 3.390 2.547 2.360 2.691 . 0 0 "[ . 1 . 2]" 1 1667 1 85 LEU MD2 1 88 MET ME . . 3.330 1.933 1.764 2.148 . 0 0 "[ . 1 . 2]" 1 1668 1 85 LEU MD2 1 99 PHE HA . . 4.280 3.492 3.306 3.593 . 0 0 "[ . 1 . 2]" 1 1669 1 85 LEU MD2 1 99 PHE HB2 . . 3.500 1.787 1.762 1.869 . 0 0 "[ . 1 . 2]" 1 1670 1 85 LEU MD2 1 99 PHE HB3 . . 3.660 3.100 2.975 3.246 . 0 0 "[ . 1 . 2]" 1 1671 1 85 LEU MD2 1 99 PHE QD . . 3.640 2.129 1.977 2.276 . 0 0 "[ . 1 . 2]" 1 1672 1 85 LEU MD2 1 99 PHE QE . . 3.980 4.001 3.975 4.039 0.059 19 0 "[ . 1 . 2]" 1 1673 1 85 LEU MD2 1 100 ILE H . . 3.980 2.949 2.657 3.202 . 0 0 "[ . 1 . 2]" 1 1674 1 85 LEU MD2 1 101 MET H . . 4.740 4.397 4.150 4.598 . 0 0 "[ . 1 . 2]" 1 1675 1 85 LEU MD2 1 101 MET HA . . 4.320 3.420 3.224 3.648 . 0 0 "[ . 1 . 2]" 1 1676 1 85 LEU MD2 1 101 MET HB2 . . 4.950 4.616 4.343 4.876 . 0 0 "[ . 1 . 2]" 1 1677 1 85 LEU MD2 1 101 MET HB3 . . 4.990 3.762 3.243 4.127 . 0 0 "[ . 1 . 2]" 1 1678 1 85 LEU HG 1 86 SER H . . 4.410 3.640 3.417 3.850 . 0 0 "[ . 1 . 2]" 1 1679 1 85 LEU HG 1 87 PHE H . . 4.680 4.698 4.675 4.742 0.062 19 0 "[ . 1 . 2]" 1 1680 1 85 LEU HG 1 99 PHE HB2 . . 4.230 3.821 3.717 3.957 . 0 0 "[ . 1 . 2]" 1 1681 1 85 LEU HG 1 99 PHE QD . . 3.880 3.072 2.534 3.489 . 0 0 "[ . 1 . 2]" 1 1682 1 85 LEU HG 1 101 MET HA . . 4.820 3.365 3.044 3.755 . 0 0 "[ . 1 . 2]" 1 1683 1 86 SER H 1 87 PHE H . . 3.220 1.894 1.872 1.940 . 0 0 "[ . 1 . 2]" 1 1684 1 86 SER H 1 100 ILE MG . . 5.220 4.126 3.507 4.701 . 0 0 "[ . 1 . 2]" 1 1685 1 86 SER H 1 101 MET HA . . 3.400 3.021 2.831 3.378 . 0 0 "[ . 1 . 2]" 1 1686 1 86 SER QB 1 87 PHE H . . 4.020 2.749 2.536 3.055 . 0 0 "[ . 1 . 2]" 1 1687 1 86 SER QB 1 100 ILE H . . 5.330 4.425 4.096 4.926 . 0 0 "[ . 1 . 2]" 1 1688 1 86 SER QB 1 100 ILE HB . . 4.490 2.680 2.346 3.241 . 0 0 "[ . 1 . 2]" 1 1689 1 86 SER QB 1 100 ILE MG . . 4.260 2.499 2.147 2.844 . 0 0 "[ . 1 . 2]" 1 1690 1 87 PHE H 1 87 PHE HB3 . . 4.100 3.101 3.036 3.151 . 0 0 "[ . 1 . 2]" 1 1691 1 87 PHE H 1 88 MET H . . 4.500 4.358 4.347 4.367 . 0 0 "[ . 1 . 2]" 1 1692 1 87 PHE H 1 88 MET ME . . 4.620 4.558 4.405 4.658 0.038 15 0 "[ . 1 . 2]" 1 1693 1 87 PHE H 1 99 PHE HA . . 4.890 4.735 4.520 4.930 0.040 13 0 "[ . 1 . 2]" 1 1694 1 87 PHE H 1 99 PHE HB2 . . 5.260 4.301 3.932 4.741 . 0 0 "[ . 1 . 2]" 1 1695 1 87 PHE H 1 100 ILE H . . 4.080 2.935 2.780 3.109 . 0 0 "[ . 1 . 2]" 1 1696 1 87 PHE H 1 100 ILE HB . . 3.790 2.764 2.581 3.000 . 0 0 "[ . 1 . 2]" 1 1697 1 87 PHE H 1 100 ILE MG . . 4.690 4.026 3.692 4.297 . 0 0 "[ . 1 . 2]" 1 1698 1 87 PHE H 1 101 MET HA . . 5.270 4.469 4.276 4.617 . 0 0 "[ . 1 . 2]" 1 1699 1 87 PHE HA 1 87 PHE QD . . 4.010 2.995 2.754 3.113 . 0 0 "[ . 1 . 2]" 1 1700 1 87 PHE HA 1 88 MET H . . 2.960 2.553 2.504 2.584 . 0 0 "[ . 1 . 2]" 1 1701 1 87 PHE HA 1 88 MET ME . . 4.490 4.156 3.829 4.407 . 0 0 "[ . 1 . 2]" 1 1702 1 87 PHE HA 1 88 MET HG2 . . 4.540 4.107 3.733 4.612 0.072 12 0 "[ . 1 . 2]" 1 1703 1 87 PHE HB2 1 88 MET H . . 4.720 3.900 3.821 3.996 . 0 0 "[ . 1 . 2]" 1 1704 1 87 PHE HB2 1 100 ILE MD . . 3.860 3.727 3.443 3.870 0.010 2 0 "[ . 1 . 2]" 1 1705 1 87 PHE HB3 1 88 MET H . . 4.880 3.417 3.354 3.509 . 0 0 "[ . 1 . 2]" 1 1706 1 87 PHE HB3 1 100 ILE H . . 5.040 3.653 3.432 3.870 . 0 0 "[ . 1 . 2]" 1 1707 1 87 PHE HB3 1 100 ILE HB . . 4.150 2.890 2.562 3.111 . 0 0 "[ . 1 . 2]" 1 1708 1 87 PHE HB3 1 100 ILE MD . . 3.500 2.441 2.175 2.690 . 0 0 "[ . 1 . 2]" 1 1709 1 87 PHE QD 1 100 ILE HB . . 5.180 4.501 4.150 4.844 . 0 0 "[ . 1 . 2]" 1 1710 1 87 PHE QD 1 100 ILE MD . . 3.910 3.177 2.692 3.579 . 0 0 "[ . 1 . 2]" 1 1711 1 88 MET H 1 88 MET ME . . 4.310 4.266 4.004 4.411 0.101 4 0 "[ . 1 . 2]" 1 1712 1 88 MET H 1 88 MET HG2 . . 3.430 2.795 2.699 2.859 . 0 0 "[ . 1 . 2]" 1 1713 1 88 MET H 1 89 GLY H . . 5.020 4.238 4.162 4.308 . 0 0 "[ . 1 . 2]" 1 1714 1 88 MET H 1 89 GLY HA2 . . 5.500 5.008 4.942 5.083 . 0 0 "[ . 1 . 2]" 1 1715 1 88 MET H 1 99 PHE HA . . 5.170 4.468 4.377 4.567 . 0 0 "[ . 1 . 2]" 1 1716 1 88 MET H 1 100 ILE HG13 . . 5.190 5.068 4.817 5.193 0.003 8 0 "[ . 1 . 2]" 1 1717 1 88 MET HA 1 88 MET HG2 . . 3.950 3.714 3.563 3.838 . 0 0 "[ . 1 . 2]" 1 1718 1 88 MET HA 1 89 GLY H . . 3.420 2.983 2.881 3.073 . 0 0 "[ . 1 . 2]" 1 1719 1 88 MET HA 1 99 PHE HA . . 3.350 1.991 1.941 2.035 . 0 0 "[ . 1 . 2]" 1 1720 1 88 MET HA 1 99 PHE HB2 . . 4.410 3.831 3.770 3.915 . 0 0 "[ . 1 . 2]" 1 1721 1 88 MET HA 1 99 PHE HB3 . . 4.220 3.866 3.693 4.060 . 0 0 "[ . 1 . 2]" 1 1722 1 88 MET HA 1 100 ILE H . . 4.260 2.997 2.706 3.208 . 0 0 "[ . 1 . 2]" 1 1723 1 88 MET HB2 1 89 GLY H . . 3.790 1.931 1.878 2.020 . 0 0 "[ . 1 . 2]" 1 1724 1 88 MET HB2 1 97 PHE QE . . 4.310 3.175 2.994 3.328 . 0 0 "[ . 1 . 2]" 1 1725 1 88 MET HB2 1 97 PHE HZ . . 4.390 3.953 3.750 4.063 . 0 0 "[ . 1 . 2]" 1 1726 1 88 MET HB2 1 99 PHE HA . . 4.410 2.576 2.392 2.676 . 0 0 "[ . 1 . 2]" 1 1727 1 88 MET HB3 1 89 GLY H . . 4.040 3.445 3.368 3.541 . 0 0 "[ . 1 . 2]" 1 1728 1 88 MET HB3 1 97 PHE QE . . 4.380 4.380 4.302 4.402 0.022 9 0 "[ . 1 . 2]" 1 1729 1 88 MET HB3 1 97 PHE HZ . . 4.660 4.571 4.335 4.669 0.009 19 0 "[ . 1 . 2]" 1 1730 1 88 MET HB3 1 99 PHE HA . . 4.210 2.537 2.361 2.715 . 0 0 "[ . 1 . 2]" 1 1731 1 88 MET HB3 1 99 PHE HB2 . . 4.310 2.182 2.002 2.523 . 0 0 "[ . 1 . 2]" 1 1732 1 88 MET HB3 1 99 PHE HB3 . . 4.190 2.475 2.123 2.992 . 0 0 "[ . 1 . 2]" 1 1733 1 88 MET ME 1 89 GLY H . . 4.590 4.414 4.082 4.662 0.072 14 0 "[ . 1 . 2]" 1 1734 1 88 MET ME 1 97 PHE QE . . 3.780 3.702 3.424 3.844 0.064 14 0 "[ . 1 . 2]" 1 1735 1 88 MET ME 1 126 VAL MG1 . . 3.210 1.783 1.668 1.870 . 0 0 "[ . 1 . 2]" 1 1736 1 88 MET ME 1 127 GLN H . . 3.990 3.837 3.615 3.997 0.007 16 0 "[ . 1 . 2]" 1 1737 1 88 MET ME 1 127 GLN HA . . 3.220 3.014 2.711 3.224 0.004 7 0 "[ . 1 . 2]" 1 1738 1 88 MET ME 1 130 CYS H . . 4.660 4.409 3.894 4.664 0.004 9 0 "[ . 1 . 2]" 1 1739 1 88 MET ME 1 130 CYS HB2 . . 3.650 3.368 2.782 3.669 0.019 9 0 "[ . 1 . 2]" 1 1740 1 88 MET ME 1 130 CYS HB3 . . 4.620 3.954 3.335 4.406 . 0 0 "[ . 1 . 2]" 1 1741 1 88 MET HG2 1 99 PHE HA . . 4.770 4.769 4.627 4.875 0.105 13 0 "[ . 1 . 2]" 1 1742 1 88 MET HG3 1 89 GLY H . . 4.180 2.406 2.298 2.517 . 0 0 "[ . 1 . 2]" 1 1743 1 88 MET HG3 1 89 GLY HA2 . . 4.640 3.198 2.856 3.707 . 0 0 "[ . 1 . 2]" 1 1744 1 88 MET HG3 1 89 GLY HA3 . . 4.700 4.182 3.791 4.748 0.048 17 0 "[ . 1 . 2]" 1 1745 1 88 MET HG3 1 97 PHE QE . . 4.010 3.035 2.711 3.239 . 0 0 "[ . 1 . 2]" 1 1746 1 88 MET HG3 1 97 PHE HZ . . 4.710 4.399 3.660 4.722 0.012 14 0 "[ . 1 . 2]" 1 1747 1 88 MET HG3 1 99 PHE HB3 . . 4.410 4.357 4.060 4.449 0.039 19 0 "[ . 1 . 2]" 1 1748 1 89 GLY H 1 90 VAL H . . 4.750 4.279 4.128 4.414 . 0 0 "[ . 1 . 2]" 1 1749 1 89 GLY H 1 90 VAL MG2 . . 4.670 4.533 4.264 4.667 . 0 0 "[ . 1 . 2]" 1 1750 1 89 GLY H 1 97 PHE QD . . 4.920 3.725 3.465 3.976 . 0 0 "[ . 1 . 2]" 1 1751 1 89 GLY H 1 97 PHE QE . . 4.330 3.120 2.895 3.428 . 0 0 "[ . 1 . 2]" 1 1752 1 89 GLY H 1 99 PHE HA . . 4.490 3.887 3.632 3.974 . 0 0 "[ . 1 . 2]" 1 1753 1 89 GLY HA2 1 90 VAL H . . 3.350 2.474 2.315 2.816 . 0 0 "[ . 1 . 2]" 1 1754 1 89 GLY HA2 1 90 VAL MG2 . . 4.230 3.690 3.407 3.916 . 0 0 "[ . 1 . 2]" 1 1755 1 89 GLY HA3 1 90 VAL H . . 3.450 2.792 2.442 2.992 . 0 0 "[ . 1 . 2]" 1 1756 1 89 GLY HA3 1 90 VAL MG2 . . 5.010 4.612 4.282 4.863 . 0 0 "[ . 1 . 2]" 1 1757 1 90 VAL H 1 90 VAL HB . . 3.310 2.309 2.187 2.517 . 0 0 "[ . 1 . 2]" 1 1758 1 90 VAL H 1 90 VAL MG1 . . 4.090 3.686 3.619 3.768 . 0 0 "[ . 1 . 2]" 1 1759 1 90 VAL H 1 90 VAL MG2 . . 3.290 2.655 2.407 2.941 . 0 0 "[ . 1 . 2]" 1 1760 1 90 VAL H 1 91 GLY H . . 4.980 4.503 4.206 4.643 . 0 0 "[ . 1 . 2]" 1 1761 1 90 VAL HA 1 90 VAL MG1 . . 3.300 2.500 2.415 2.563 . 0 0 "[ . 1 . 2]" 1 1762 1 90 VAL HA 1 90 VAL MG2 . . 3.150 2.217 2.120 2.289 . 0 0 "[ . 1 . 2]" 1 1763 1 90 VAL HA 1 91 GLY H . . 3.080 2.218 2.182 2.326 . 0 0 "[ . 1 . 2]" 1 1764 1 90 VAL HA 1 97 PHE HA . . 3.420 2.530 2.332 2.747 . 0 0 "[ . 1 . 2]" 1 1765 1 90 VAL HA 1 97 PHE QD . . 3.950 3.149 2.866 3.616 . 0 0 "[ . 1 . 2]" 1 1766 1 90 VAL HA 1 98 ALA H . . 4.360 3.667 3.408 3.901 . 0 0 "[ . 1 . 2]" 1 1767 1 90 VAL HB 1 91 GLY H . . 4.630 4.316 4.055 4.521 . 0 0 "[ . 1 . 2]" 1 1768 1 90 VAL MG1 1 91 GLY H . . 3.410 2.571 1.936 2.997 . 0 0 "[ . 1 . 2]" 1 1769 1 90 VAL MG1 1 91 GLY HA3 . . 4.190 3.870 3.658 4.112 . 0 0 "[ . 1 . 2]" 1 1770 1 90 VAL MG1 1 94 VAL H . . 5.050 4.175 3.992 4.397 . 0 0 "[ . 1 . 2]" 1 1771 1 90 VAL MG1 1 94 VAL HA . . 2.950 1.969 1.821 2.194 . 0 0 "[ . 1 . 2]" 1 1772 1 90 VAL MG1 1 94 VAL HB . . 4.050 3.531 3.297 3.691 . 0 0 "[ . 1 . 2]" 1 1773 1 90 VAL MG1 1 95 HIS H . . 5.070 4.192 3.960 4.508 . 0 0 "[ . 1 . 2]" 1 1774 1 90 VAL MG1 1 96 THR H . . 4.170 2.822 2.582 3.078 . 0 0 "[ . 1 . 2]" 1 1775 1 90 VAL MG2 1 91 GLY H . . 4.050 3.962 3.725 4.063 0.013 10 0 "[ . 1 . 2]" 1 1776 1 90 VAL MG2 1 97 PHE HA . . 3.920 3.393 2.770 3.663 . 0 0 "[ . 1 . 2]" 1 1777 1 90 VAL MG2 1 97 PHE HB2 . . 4.270 3.478 3.032 3.746 . 0 0 "[ . 1 . 2]" 1 1778 1 90 VAL MG2 1 97 PHE QD . . 3.370 2.528 2.220 2.699 . 0 0 "[ . 1 . 2]" 1 1779 1 90 VAL MG2 1 97 PHE QE . . 4.110 3.993 3.691 4.121 0.011 1 0 "[ . 1 . 2]" 1 1780 1 90 VAL MG2 1 98 ALA H . . 4.940 4.551 4.152 4.745 . 0 0 "[ . 1 . 2]" 1 1781 1 90 VAL MG2 1 120 ALA H . . 4.480 4.241 3.940 4.493 0.013 13 0 "[ . 1 . 2]" 1 1782 1 90 VAL MG2 1 120 ALA HA . . 4.230 3.356 3.124 3.658 . 0 0 "[ . 1 . 2]" 1 1783 1 90 VAL MG2 1 123 SER H . . 4.470 3.985 3.795 4.328 . 0 0 "[ . 1 . 2]" 1 1784 1 90 VAL MG2 1 123 SER HA . . 4.540 4.535 4.450 4.576 0.036 14 0 "[ . 1 . 2]" 1 1785 1 90 VAL MG2 1 123 SER HB2 . . 3.410 2.523 2.436 2.612 . 0 0 "[ . 1 . 2]" 1 1786 1 90 VAL MG2 1 123 SER HB3 . . 3.460 2.947 2.791 3.113 . 0 0 "[ . 1 . 2]" 1 1787 1 91 GLY H 1 92 LYS H . . 4.650 4.535 4.405 4.615 . 0 0 "[ . 1 . 2]" 1 1788 1 91 GLY H 1 96 THR H . . 4.930 4.202 3.866 4.817 . 0 0 "[ . 1 . 2]" 1 1789 1 91 GLY H 1 96 THR HB . . 4.680 3.344 3.062 3.734 . 0 0 "[ . 1 . 2]" 1 1790 1 91 GLY H 1 96 THR HG1 . . 3.910 3.878 3.799 3.918 0.008 7 0 "[ . 1 . 2]" 1 1791 1 91 GLY H 1 97 PHE HA . . 4.480 3.078 2.757 3.833 . 0 0 "[ . 1 . 2]" 1 1792 1 91 GLY HA2 1 92 LYS H . . 3.480 2.695 2.605 2.842 . 0 0 "[ . 1 . 2]" 1 1793 1 91 GLY HA3 1 92 LYS H . . 3.500 2.548 2.420 2.634 . 0 0 "[ . 1 . 2]" 1 1794 1 91 GLY HA3 1 93 ASP H . . 4.770 3.980 3.473 4.792 0.022 10 0 "[ . 1 . 2]" 1 1795 1 92 LYS H 1 92 LYS HB2 . . 3.650 2.381 2.233 2.518 . 0 0 "[ . 1 . 2]" 1 1796 1 92 LYS H 1 92 LYS HB3 . . 3.420 3.533 3.493 3.549 0.129 5 0 "[ . 1 . 2]" 1 1797 1 92 LYS H 1 92 LYS HD2 . . 4.430 4.397 3.068 4.968 0.538 20 1 "[ . 1 . +]" 1 1798 1 92 LYS H 1 92 LYS HG2 . . 3.790 2.626 1.996 4.013 0.223 13 0 "[ . 1 . 2]" 1 1799 1 92 LYS H 1 92 LYS HG3 . . 4.010 3.138 2.189 3.506 . 0 0 "[ . 1 . 2]" 1 1800 1 92 LYS H 1 93 ASP H . . 3.590 3.149 2.962 3.520 . 0 0 "[ . 1 . 2]" 1 1801 1 92 LYS HA 1 92 LYS HD3 . . 4.200 3.003 2.217 4.469 0.269 14 0 "[ . 1 . 2]" 1 1802 1 92 LYS HA 1 92 LYS HG2 . . 3.870 2.580 2.184 2.955 . 0 0 "[ . 1 . 2]" 1 1803 1 92 LYS HA 1 92 LYS HG3 . . 3.580 3.359 2.202 3.717 0.137 19 0 "[ . 1 . 2]" 1 1804 1 92 LYS HB2 1 93 ASP H . . 4.100 2.468 2.120 2.745 . 0 0 "[ . 1 . 2]" 1 1805 1 92 LYS HB3 1 92 LYS HE3 . . 5.180 3.955 2.169 5.175 . 0 0 "[ . 1 . 2]" 1 1806 1 92 LYS HB3 1 93 ASP H . . 4.070 3.133 2.530 3.645 . 0 0 "[ . 1 . 2]" 1 1807 1 92 LYS HE3 1 92 LYS HG2 . . 4.250 3.356 2.396 4.061 . 0 0 "[ . 1 . 2]" 1 1808 1 92 LYS HE3 1 92 LYS HG3 . . 4.260 2.883 2.153 3.856 . 0 0 "[ . 1 . 2]" 1 1809 1 92 LYS HG2 1 93 ASP H . . 4.960 4.654 4.384 5.162 0.202 14 0 "[ . 1 . 2]" 1 1810 1 92 LYS HG3 1 93 ASP H . . 5.160 4.703 4.411 4.905 . 0 0 "[ . 1 . 2]" 1 1811 1 93 ASP H 1 93 ASP QB . . 3.580 2.212 1.987 2.863 . 0 0 "[ . 1 . 2]" 1 1812 1 93 ASP H 1 96 THR MG . . 4.320 3.395 3.067 3.845 . 0 0 "[ . 1 . 2]" 1 1813 1 93 ASP HA 1 94 VAL H . . 2.890 2.478 2.359 2.559 . 0 0 "[ . 1 . 2]" 1 1814 1 93 ASP HA 1 94 VAL MG1 . . 3.770 3.545 3.404 3.796 0.026 10 0 "[ . 1 . 2]" 1 1815 1 93 ASP HA 1 94 VAL MG2 . . 4.130 4.087 3.901 4.145 0.015 15 0 "[ . 1 . 2]" 1 1816 1 93 ASP QB 1 94 VAL H . . 4.620 2.811 2.614 3.106 . 0 0 "[ . 1 . 2]" 1 1817 1 93 ASP QB 1 95 HIS H . . 4.930 1.964 1.928 2.041 . 0 0 "[ . 1 . 2]" 1 1818 1 93 ASP QB 1 95 HIS HA . . 4.560 4.489 4.465 4.548 . 0 0 "[ . 1 . 2]" 1 1819 1 93 ASP QB 1 96 THR H . . 4.840 3.367 3.123 3.938 . 0 0 "[ . 1 . 2]" 1 1820 1 93 ASP QB 1 96 THR MG . . 3.420 2.312 2.065 2.773 . 0 0 "[ . 1 . 2]" 1 1821 1 94 VAL H 1 94 VAL HB . . 4.130 3.570 3.553 3.584 . 0 0 "[ . 1 . 2]" 1 1822 1 94 VAL H 1 94 VAL MG1 . . 2.990 2.390 2.261 2.588 . 0 0 "[ . 1 . 2]" 1 1823 1 94 VAL H 1 94 VAL MG2 . . 2.990 1.972 1.911 2.096 . 0 0 "[ . 1 . 2]" 1 1824 1 94 VAL H 1 95 HIS H . . 4.060 2.396 2.301 2.535 . 0 0 "[ . 1 . 2]" 1 1825 1 94 VAL HA 1 94 VAL MG1 . . 2.970 2.348 2.195 2.436 . 0 0 "[ . 1 . 2]" 1 1826 1 94 VAL HA 1 94 VAL MG2 . . 3.600 3.209 3.204 3.220 . 0 0 "[ . 1 . 2]" 1 1827 1 94 VAL HA 1 96 THR H . . 4.180 3.335 3.209 3.517 . 0 0 "[ . 1 . 2]" 1 1828 1 94 VAL HB 1 95 HIS H . . 5.340 4.329 4.245 4.401 . 0 0 "[ . 1 . 2]" 1 1829 1 94 VAL HB 1 118 ASN HB2 . . 4.680 2.728 2.581 3.287 . 0 0 "[ . 1 . 2]" 1 1830 1 94 VAL HB 1 118 ASN HB3 . . 4.160 2.547 2.006 2.989 . 0 0 "[ . 1 . 2]" 1 1831 1 94 VAL MG1 1 95 HIS H . . 4.420 4.138 4.078 4.289 . 0 0 "[ . 1 . 2]" 1 1832 1 94 VAL MG1 1 118 ASN HB2 . . 4.360 4.118 3.976 4.388 0.028 10 0 "[ . 1 . 2]" 1 1833 1 94 VAL MG1 1 118 ASN HB3 . . 4.090 3.834 3.263 4.148 0.058 5 0 "[ . 1 . 2]" 1 1834 1 94 VAL MG2 1 95 HIS H . . 3.780 2.686 2.507 2.969 . 0 0 "[ . 1 . 2]" 1 1835 1 94 VAL MG2 1 95 HIS HA . . 4.490 3.686 3.445 3.837 . 0 0 "[ . 1 . 2]" 1 1836 1 94 VAL MG2 1 95 HIS HE1 . . 4.380 2.651 2.448 2.825 . 0 0 "[ . 1 . 2]" 1 1837 1 94 VAL MG2 1 96 THR H . . 4.700 4.504 4.400 4.668 . 0 0 "[ . 1 . 2]" 1 1838 1 94 VAL MG2 1 118 ASN HA . . 4.450 2.666 2.227 3.110 . 0 0 "[ . 1 . 2]" 1 1839 1 94 VAL MG2 1 118 ASN HB2 . . 3.510 3.412 3.187 3.514 0.004 10 0 "[ . 1 . 2]" 1 1840 1 94 VAL MG2 1 118 ASN HB3 . . 3.480 2.249 1.951 2.642 . 0 0 "[ . 1 . 2]" 1 1841 1 94 VAL MG2 1 118 ASN HD21 . . 4.560 4.051 3.202 4.583 0.023 10 0 "[ . 1 . 2]" 1 1842 1 94 VAL MG2 1 119 ALA H . . 4.720 3.988 3.575 4.131 . 0 0 "[ . 1 . 2]" 1 1843 1 95 HIS H 1 95 HIS HB2 . . 3.920 2.869 2.765 2.955 . 0 0 "[ . 1 . 2]" 1 1844 1 95 HIS H 1 96 THR H . . 3.590 2.683 2.479 3.068 . 0 0 "[ . 1 . 2]" 1 1845 1 95 HIS H 1 96 THR HG1 . . 4.460 3.817 2.795 4.206 . 0 0 "[ . 1 . 2]" 1 1846 1 95 HIS H 1 96 THR MG . . 4.490 3.383 3.190 3.641 . 0 0 "[ . 1 . 2]" 1 1847 1 95 HIS HA 1 95 HIS HD2 . . 3.920 3.866 3.763 3.937 0.017 14 0 "[ . 1 . 2]" 1 1848 1 95 HIS HA 1 115 CYS H . . 4.420 3.278 3.160 3.361 . 0 0 "[ . 1 . 2]" 1 1849 1 95 HIS HA 1 115 CYS HB2 . . 4.480 3.842 3.623 4.242 . 0 0 "[ . 1 . 2]" 1 1850 1 95 HIS HA 1 116 GLU QG . . 4.470 3.946 3.668 4.298 . 0 0 "[ . 1 . 2]" 1 1851 1 95 HIS HA 1 119 ALA H . . 3.650 3.371 3.111 3.590 . 0 0 "[ . 1 . 2]" 1 1852 1 95 HIS HA 1 119 ALA MB . . 4.120 3.513 3.231 3.736 . 0 0 "[ . 1 . 2]" 1 1853 1 95 HIS HB2 1 96 THR H . . 4.850 4.125 3.937 4.351 . 0 0 "[ . 1 . 2]" 1 1854 1 95 HIS HB2 1 114 TRP HE1 . . 5.280 3.607 3.055 4.264 . 0 0 "[ . 1 . 2]" 1 1855 1 95 HIS HB2 1 114 TRP HH2 . . 4.860 3.560 2.930 4.095 . 0 0 "[ . 1 . 2]" 1 1856 1 95 HIS HB2 1 114 TRP HZ2 . . 4.710 2.903 2.743 3.144 . 0 0 "[ . 1 . 2]" 1 1857 1 95 HIS HB2 1 115 CYS H . . 4.810 4.633 4.471 4.810 . 0 0 "[ . 1 . 2]" 1 1858 1 95 HIS HB3 1 96 THR H . . 5.230 4.666 4.627 4.695 . 0 0 "[ . 1 . 2]" 1 1859 1 95 HIS HB3 1 114 TRP HE1 . . 5.160 2.777 2.250 3.433 . 0 0 "[ . 1 . 2]" 1 1860 1 95 HIS HB3 1 114 TRP HZ2 . . 5.160 3.401 3.046 3.609 . 0 0 "[ . 1 . 2]" 1 1861 1 95 HIS HB3 1 115 CYS H . . 4.030 4.043 4.015 4.063 0.033 6 0 "[ . 1 . 2]" 1 1862 1 95 HIS HD2 1 114 TRP HE1 . . 4.510 3.970 3.580 4.496 . 0 0 "[ . 1 . 2]" 1 1863 1 95 HIS HD2 1 116 GLU HA . . 3.580 3.384 3.018 3.592 0.012 9 0 "[ . 1 . 2]" 1 1864 1 95 HIS HD2 1 116 GLU QG . . 4.520 3.069 2.438 3.904 . 0 0 "[ . 1 . 2]" 1 1865 1 95 HIS HD2 1 117 PRO HA . . 4.350 3.070 2.837 3.251 . 0 0 "[ . 1 . 2]" 1 1866 1 95 HIS HD2 1 118 ASN HA . . 4.200 4.048 3.865 4.204 0.004 18 0 "[ . 1 . 2]" 1 1867 1 96 THR H 1 96 THR HG1 . . 3.140 3.000 2.087 3.220 0.080 15 0 "[ . 1 . 2]" 1 1868 1 96 THR H 1 96 THR MG . . 3.460 3.057 2.918 3.216 . 0 0 "[ . 1 . 2]" 1 1869 1 96 THR H 1 119 ALA MB . . 4.210 3.164 2.585 3.451 . 0 0 "[ . 1 . 2]" 1 1870 1 96 THR HA 1 96 THR MG . . 3.170 2.320 2.223 2.409 . 0 0 "[ . 1 . 2]" 1 1871 1 96 THR HA 1 97 PHE H . . 2.940 2.199 2.159 2.263 . 0 0 "[ . 1 . 2]" 1 1872 1 96 THR HA 1 97 PHE HB2 . . 4.870 4.382 4.280 4.458 . 0 0 "[ . 1 . 2]" 1 1873 1 96 THR HA 1 97 PHE HB3 . . 4.620 4.269 4.195 4.314 . 0 0 "[ . 1 . 2]" 1 1874 1 96 THR HA 1 112 VAL MG1 . . 4.790 4.247 4.068 4.449 . 0 0 "[ . 1 . 2]" 1 1875 1 96 THR HA 1 114 TRP HA . . 3.770 2.514 2.256 2.697 . 0 0 "[ . 1 . 2]" 1 1876 1 96 THR HA 1 114 TRP HE3 . . 4.930 4.131 3.849 4.572 . 0 0 "[ . 1 . 2]" 1 1877 1 96 THR HA 1 115 CYS H . . 4.510 3.315 3.053 3.433 . 0 0 "[ . 1 . 2]" 1 1878 1 96 THR HA 1 115 CYS HG . . 4.610 3.957 3.600 4.207 . 0 0 "[ . 1 . 2]" 1 1879 1 96 THR HB 1 97 PHE H . . 3.700 3.294 3.028 3.531 . 0 0 "[ . 1 . 2]" 1 1880 1 96 THR HB 1 112 VAL MG1 . . 4.170 3.767 3.313 4.071 . 0 0 "[ . 1 . 2]" 1 1881 1 96 THR HG1 1 96 THR MG . . 3.240 2.090 1.992 2.143 . 0 0 "[ . 1 . 2]" 1 1882 1 96 THR MG 1 97 PHE H . . 3.920 3.883 3.785 3.968 0.048 20 0 "[ . 1 . 2]" 1 1883 1 96 THR MG 1 114 TRP HE3 . . 3.300 2.542 2.215 3.140 . 0 0 "[ . 1 . 2]" 1 1884 1 96 THR MG 1 114 TRP HH2 . . 5.220 4.108 3.854 4.441 . 0 0 "[ . 1 . 2]" 1 1885 1 96 THR MG 1 114 TRP HZ3 . . 3.670 2.901 2.583 3.474 . 0 0 "[ . 1 . 2]" 1 1886 1 96 THR MG 1 115 CYS H . . 4.630 4.595 4.282 4.654 0.024 13 0 "[ . 1 . 2]" 1 1887 1 97 PHE H 1 97 PHE HB2 . . 3.980 3.226 3.141 3.336 . 0 0 "[ . 1 . 2]" 1 1888 1 97 PHE H 1 97 PHE HB3 . . 3.790 2.612 2.505 2.773 . 0 0 "[ . 1 . 2]" 1 1889 1 97 PHE H 1 97 PHE QD . . 4.670 4.272 4.202 4.362 . 0 0 "[ . 1 . 2]" 1 1890 1 97 PHE H 1 98 ALA H . . 4.940 4.286 4.132 4.385 . 0 0 "[ . 1 . 2]" 1 1891 1 97 PHE H 1 98 ALA MB . . 5.010 4.136 3.932 4.329 . 0 0 "[ . 1 . 2]" 1 1892 1 97 PHE H 1 112 VAL HA . . 5.090 4.479 4.322 4.635 . 0 0 "[ . 1 . 2]" 1 1893 1 97 PHE H 1 112 VAL MG1 . . 4.430 3.491 3.221 3.728 . 0 0 "[ . 1 . 2]" 1 1894 1 97 PHE H 1 113 PHE H . . 4.000 2.700 2.505 2.856 . 0 0 "[ . 1 . 2]" 1 1895 1 97 PHE H 1 113 PHE HB2 . . 4.400 3.602 3.238 3.818 . 0 0 "[ . 1 . 2]" 1 1896 1 97 PHE H 1 113 PHE HB3 . . 5.030 4.748 4.410 4.970 . 0 0 "[ . 1 . 2]" 1 1897 1 97 PHE H 1 113 PHE QD . . 4.970 4.869 4.577 4.982 0.012 8 0 "[ . 1 . 2]" 1 1898 1 97 PHE H 1 114 TRP HA . . 4.480 3.468 3.280 3.678 . 0 0 "[ . 1 . 2]" 1 1899 1 97 PHE H 1 115 CYS H . . 5.230 4.090 3.794 4.364 . 0 0 "[ . 1 . 2]" 1 1900 1 97 PHE H 1 115 CYS HG . . 4.390 3.464 3.077 3.863 . 0 0 "[ . 1 . 2]" 1 1901 1 97 PHE H 1 119 ALA MB . . 4.480 3.922 3.649 4.112 . 0 0 "[ . 1 . 2]" 1 1902 1 97 PHE HA 1 97 PHE QD . . 3.450 2.475 2.346 2.634 . 0 0 "[ . 1 . 2]" 1 1903 1 97 PHE HA 1 97 PHE QE . . 4.800 4.634 4.597 4.732 . 0 0 "[ . 1 . 2]" 1 1904 1 97 PHE HA 1 98 ALA H . . 3.080 2.239 2.193 2.312 . 0 0 "[ . 1 . 2]" 1 1905 1 97 PHE HA 1 119 ALA MB . . 3.940 3.346 3.194 3.532 . 0 0 "[ . 1 . 2]" 1 1906 1 97 PHE HB2 1 98 ALA H . . 4.680 4.240 4.034 4.408 . 0 0 "[ . 1 . 2]" 1 1907 1 97 PHE HB2 1 113 PHE HB2 . . 4.450 4.370 4.185 4.469 0.019 14 0 "[ . 1 . 2]" 1 1908 1 97 PHE HB2 1 115 CYS HG . . 4.490 2.544 2.204 2.909 . 0 0 "[ . 1 . 2]" 1 1909 1 97 PHE HB2 1 119 ALA MB . . 3.310 1.841 1.789 1.906 . 0 0 "[ . 1 . 2]" 1 1910 1 97 PHE HB2 1 122 VAL MG1 . . 4.230 3.455 3.220 3.814 . 0 0 "[ . 1 . 2]" 1 1911 1 97 PHE HB3 1 98 ALA H . . 4.980 4.253 4.057 4.433 . 0 0 "[ . 1 . 2]" 1 1912 1 97 PHE HB3 1 113 PHE H . . 5.050 3.752 3.479 3.963 . 0 0 "[ . 1 . 2]" 1 1913 1 97 PHE HB3 1 113 PHE HB2 . . 4.150 2.625 2.452 2.717 . 0 0 "[ . 1 . 2]" 1 1914 1 97 PHE HB3 1 113 PHE HB3 . . 4.560 3.962 3.789 4.071 . 0 0 "[ . 1 . 2]" 1 1915 1 97 PHE HB3 1 113 PHE QD . . 4.680 3.941 3.735 4.099 . 0 0 "[ . 1 . 2]" 1 1916 1 97 PHE HB3 1 115 CYS HG . . 4.440 2.261 2.041 2.486 . 0 0 "[ . 1 . 2]" 1 1917 1 97 PHE HB3 1 119 ALA MB . . 3.880 3.062 2.846 3.222 . 0 0 "[ . 1 . 2]" 1 1918 1 97 PHE HB3 1 122 VAL MG1 . . 4.190 3.483 3.192 3.739 . 0 0 "[ . 1 . 2]" 1 1919 1 97 PHE QD 1 98 ALA H . . 3.900 3.018 2.705 3.272 . 0 0 "[ . 1 . 2]" 1 1920 1 97 PHE QD 1 98 ALA HA . . 4.760 4.239 3.932 4.506 . 0 0 "[ . 1 . 2]" 1 1921 1 97 PHE QD 1 98 ALA MB . . 4.990 4.752 4.593 4.902 . 0 0 "[ . 1 . 2]" 1 1922 1 97 PHE QD 1 113 PHE H . . 5.030 4.551 4.231 4.858 . 0 0 "[ . 1 . 2]" 1 1923 1 97 PHE QD 1 113 PHE HB2 . . 4.250 2.701 2.420 2.972 . 0 0 "[ . 1 . 2]" 1 1924 1 97 PHE QD 1 113 PHE HB3 . . 4.630 3.975 3.744 4.133 . 0 0 "[ . 1 . 2]" 1 1925 1 97 PHE QD 1 113 PHE QD . . 3.660 2.930 2.496 3.321 . 0 0 "[ . 1 . 2]" 1 1926 1 97 PHE QD 1 119 ALA MB . . 3.960 2.946 2.664 3.206 . 0 0 "[ . 1 . 2]" 1 1927 1 97 PHE QD 1 122 VAL MG1 . . 3.550 2.651 2.257 2.849 . 0 0 "[ . 1 . 2]" 1 1928 1 97 PHE QD 1 123 SER HA . . 4.250 3.787 3.630 4.025 . 0 0 "[ . 1 . 2]" 1 1929 1 97 PHE QD 1 123 SER HB2 . . 3.840 2.540 2.500 2.635 . 0 0 "[ . 1 . 2]" 1 1930 1 97 PHE QD 1 123 SER HB3 . . 4.190 4.194 4.158 4.212 0.022 12 0 "[ . 1 . 2]" 1 1931 1 97 PHE QE 1 98 ALA H . . 4.680 4.200 3.859 4.598 . 0 0 "[ . 1 . 2]" 1 1932 1 97 PHE QE 1 122 VAL MG1 . . 3.680 2.882 2.580 3.288 . 0 0 "[ . 1 . 2]" 1 1933 1 97 PHE QE 1 123 SER HA . . 3.500 2.464 2.277 2.767 . 0 0 "[ . 1 . 2]" 1 1934 1 97 PHE QE 1 123 SER HB2 . . 3.950 2.671 2.519 3.074 . 0 0 "[ . 1 . 2]" 1 1935 1 97 PHE QE 1 123 SER HB3 . . 4.460 4.114 3.935 4.349 . 0 0 "[ . 1 . 2]" 1 1936 1 97 PHE QE 1 126 VAL HB . . 4.070 3.698 3.547 3.864 . 0 0 "[ . 1 . 2]" 1 1937 1 97 PHE QE 1 126 VAL MG1 . . 3.490 3.359 3.195 3.508 0.018 12 0 "[ . 1 . 2]" 1 1938 1 97 PHE QE 1 126 VAL MG2 . . 3.320 2.568 2.222 2.853 . 0 0 "[ . 1 . 2]" 1 1939 1 97 PHE HZ 1 123 SER HA . . 4.640 2.926 2.744 3.293 . 0 0 "[ . 1 . 2]" 1 1940 1 97 PHE HZ 1 126 VAL H . . 4.930 4.866 4.612 4.945 0.015 9 0 "[ . 1 . 2]" 1 1941 1 97 PHE HZ 1 126 VAL HB . . 3.800 2.793 2.572 3.068 . 0 0 "[ . 1 . 2]" 1 1942 1 97 PHE HZ 1 126 VAL MG1 . . 3.310 2.247 1.961 2.515 . 0 0 "[ . 1 . 2]" 1 1943 1 97 PHE HZ 1 126 VAL MG2 . . 3.440 2.476 2.036 2.911 . 0 0 "[ . 1 . 2]" 1 1944 1 98 ALA H 1 98 ALA MB . . 3.100 2.682 2.527 2.812 . 0 0 "[ . 1 . 2]" 1 1945 1 98 ALA H 1 119 ALA MB . . 4.920 4.953 4.927 5.000 0.080 8 0 "[ . 1 . 2]" 1 1946 1 98 ALA HA 1 99 PHE H . . 3.020 2.321 2.262 2.390 . 0 0 "[ . 1 . 2]" 1 1947 1 98 ALA HA 1 99 PHE QD . . 4.920 3.714 3.401 3.916 . 0 0 "[ . 1 . 2]" 1 1948 1 98 ALA HA 1 112 VAL HA . . 3.520 2.651 2.415 2.763 . 0 0 "[ . 1 . 2]" 1 1949 1 98 ALA HA 1 112 VAL MG1 . . 4.670 4.335 4.052 4.553 . 0 0 "[ . 1 . 2]" 1 1950 1 98 ALA HA 1 112 VAL MG2 . . 3.860 3.810 3.578 3.882 0.022 3 0 "[ . 1 . 2]" 1 1951 1 98 ALA HA 1 113 PHE H . . 4.240 3.674 3.558 3.774 . 0 0 "[ . 1 . 2]" 1 1952 1 98 ALA HA 1 113 PHE HB2 . . 5.060 4.543 4.318 4.783 . 0 0 "[ . 1 . 2]" 1 1953 1 98 ALA HA 1 113 PHE QD . . 3.970 3.136 2.973 3.313 . 0 0 "[ . 1 . 2]" 1 1954 1 98 ALA HA 1 113 PHE QE . . 4.380 4.277 4.135 4.394 0.014 12 0 "[ . 1 . 2]" 1 1955 1 98 ALA MB 1 99 PHE H . . 3.440 2.839 2.644 2.966 . 0 0 "[ . 1 . 2]" 1 1956 1 98 ALA MB 1 99 PHE HA . . 4.930 3.974 3.866 4.047 . 0 0 "[ . 1 . 2]" 1 1957 1 98 ALA MB 1 111 HIS H . . 4.800 4.090 3.661 4.350 . 0 0 "[ . 1 . 2]" 1 1958 1 98 ALA MB 1 112 VAL HA . . 3.560 2.192 1.928 2.446 . 0 0 "[ . 1 . 2]" 1 1959 1 98 ALA MB 1 112 VAL MG1 . . 3.450 2.840 2.597 3.085 . 0 0 "[ . 1 . 2]" 1 1960 1 98 ALA MB 1 112 VAL MG2 . . 2.910 1.969 1.799 2.150 . 0 0 "[ . 1 . 2]" 1 1961 1 98 ALA MB 1 113 PHE H . . 4.350 3.416 3.222 3.629 . 0 0 "[ . 1 . 2]" 1 1962 1 98 ALA MB 1 113 PHE QD . . 4.650 4.373 4.170 4.541 . 0 0 "[ . 1 . 2]" 1 1963 1 99 PHE H 1 99 PHE QD . . 4.080 3.099 2.821 3.236 . 0 0 "[ . 1 . 2]" 1 1964 1 99 PHE H 1 99 PHE HZ . . 5.490 5.487 5.402 5.534 0.044 4 0 "[ . 1 . 2]" 1 1965 1 99 PHE H 1 100 ILE H . . 5.020 4.356 4.323 4.398 . 0 0 "[ . 1 . 2]" 1 1966 1 99 PHE H 1 111 HIS H . . 3.820 2.889 2.601 3.075 . 0 0 "[ . 1 . 2]" 1 1967 1 99 PHE H 1 111 HIS HB2 . . 4.600 3.756 3.572 3.971 . 0 0 "[ . 1 . 2]" 1 1968 1 99 PHE H 1 112 VAL HA . . 4.390 4.325 4.159 4.415 0.025 11 0 "[ . 1 . 2]" 1 1969 1 99 PHE H 1 112 VAL MG2 . . 4.900 4.607 4.332 4.762 . 0 0 "[ . 1 . 2]" 1 1970 1 99 PHE H 1 113 PHE QE . . 4.800 4.327 4.030 4.500 . 0 0 "[ . 1 . 2]" 1 1971 1 99 PHE HA 1 99 PHE QD . . 4.280 3.717 3.688 3.756 . 0 0 "[ . 1 . 2]" 1 1972 1 99 PHE HA 1 100 ILE H . . 3.350 2.275 2.245 2.328 . 0 0 "[ . 1 . 2]" 1 1973 1 99 PHE HA 1 100 ILE HB . . 4.920 4.712 4.605 4.791 . 0 0 "[ . 1 . 2]" 1 1974 1 99 PHE HA 1 100 ILE HG13 . . 4.770 3.403 3.279 3.550 . 0 0 "[ . 1 . 2]" 1 1975 1 99 PHE HB2 1 100 ILE H . . 3.860 3.102 2.924 3.224 . 0 0 "[ . 1 . 2]" 1 1976 1 99 PHE HB3 1 100 ILE H . . 4.280 4.198 4.093 4.272 . 0 0 "[ . 1 . 2]" 1 1977 1 99 PHE QD 1 100 ILE H . . 4.250 3.630 3.436 3.783 . 0 0 "[ . 1 . 2]" 1 1978 1 99 PHE QD 1 100 ILE HA . . 4.140 3.656 3.439 3.962 . 0 0 "[ . 1 . 2]" 1 1979 1 99 PHE QD 1 101 MET H . . 4.910 3.662 3.458 3.926 . 0 0 "[ . 1 . 2]" 1 1980 1 99 PHE QD 1 101 MET HB2 . . 4.590 4.236 4.020 4.409 . 0 0 "[ . 1 . 2]" 1 1981 1 99 PHE QD 1 101 MET HB3 . . 4.490 2.689 2.397 2.884 . 0 0 "[ . 1 . 2]" 1 1982 1 99 PHE QD 1 101 MET HG2 . . 4.780 4.422 3.713 4.798 0.018 6 0 "[ . 1 . 2]" 1 1983 1 99 PHE QD 1 111 HIS H . . 5.240 3.882 3.655 4.098 . 0 0 "[ . 1 . 2]" 1 1984 1 99 PHE QD 1 111 HIS HB2 . . 4.540 3.911 3.706 4.169 . 0 0 "[ . 1 . 2]" 1 1985 1 99 PHE QD 1 111 HIS HD2 . . 4.380 4.078 3.802 4.314 . 0 0 "[ . 1 . 2]" 1 1986 1 99 PHE QE 1 101 MET HB2 . . 4.460 3.439 3.187 3.689 . 0 0 "[ . 1 . 2]" 1 1987 1 99 PHE QE 1 101 MET HB3 . . 4.320 2.107 1.979 2.299 . 0 0 "[ . 1 . 2]" 1 1988 1 99 PHE QE 1 101 MET ME . . 4.170 3.472 3.188 3.774 . 0 0 "[ . 1 . 2]" 1 1989 1 99 PHE QE 1 101 MET HG2 . . 4.640 3.634 2.973 4.104 . 0 0 "[ . 1 . 2]" 1 1990 1 99 PHE QE 1 101 MET HG3 . . 4.700 4.539 4.070 4.763 0.063 14 0 "[ . 1 . 2]" 1 1991 1 99 PHE QE 1 111 HIS HB2 . . 4.630 3.032 2.812 3.255 . 0 0 "[ . 1 . 2]" 1 1992 1 99 PHE QE 1 111 HIS HB3 . . 5.000 3.962 3.653 4.398 . 0 0 "[ . 1 . 2]" 1 1993 1 99 PHE QE 1 111 HIS HD2 . . 3.910 2.728 2.342 3.228 . 0 0 "[ . 1 . 2]" 1 1994 1 99 PHE QE 1 113 PHE QD . . 3.720 3.622 3.343 3.733 0.013 18 0 "[ . 1 . 2]" 1 1995 1 99 PHE QE 1 113 PHE QE . . 3.710 2.179 1.994 2.465 . 0 0 "[ . 1 . 2]" 1 1996 1 99 PHE HZ 1 111 HIS HB2 . . 4.170 2.976 2.641 3.267 . 0 0 "[ . 1 . 2]" 1 1997 1 99 PHE HZ 1 111 HIS HD2 . . 4.280 3.600 3.166 4.036 . 0 0 "[ . 1 . 2]" 1 1998 1 100 ILE H 1 100 ILE HB . . 3.720 2.496 2.414 2.561 . 0 0 "[ . 1 . 2]" 1 1999 1 100 ILE H 1 100 ILE MD . . 4.140 3.601 3.408 3.791 . 0 0 "[ . 1 . 2]" 1 2000 1 100 ILE H 1 100 ILE HG12 . . 4.480 3.430 3.328 3.569 . 0 0 "[ . 1 . 2]" 1 2001 1 100 ILE H 1 100 ILE HG13 . . 4.200 2.189 2.063 2.332 . 0 0 "[ . 1 . 2]" 1 2002 1 100 ILE H 1 100 ILE MG . . 4.220 3.758 3.736 3.773 . 0 0 "[ . 1 . 2]" 1 2003 1 100 ILE H 1 101 MET H . . 4.680 4.508 4.418 4.562 . 0 0 "[ . 1 . 2]" 1 2004 1 100 ILE HA 1 100 ILE MD . . 3.960 3.850 3.782 3.907 . 0 0 "[ . 1 . 2]" 1 2005 1 100 ILE HA 1 100 ILE HG12 . . 3.680 2.608 2.503 2.720 . 0 0 "[ . 1 . 2]" 1 2006 1 100 ILE HA 1 100 ILE HG13 . . 4.190 3.103 3.012 3.200 . 0 0 "[ . 1 . 2]" 1 2007 1 100 ILE HA 1 100 ILE MG . . 3.570 2.298 2.203 2.433 . 0 0 "[ . 1 . 2]" 1 2008 1 100 ILE HA 1 101 MET H . . 3.260 2.192 2.177 2.218 . 0 0 "[ . 1 . 2]" 1 2009 1 100 ILE HA 1 101 MET HB3 . . 5.020 4.339 4.255 4.430 . 0 0 "[ . 1 . 2]" 1 2010 1 100 ILE HA 1 110 CYS HA . . 3.510 2.416 2.258 2.529 . 0 0 "[ . 1 . 2]" 1 2011 1 100 ILE HA 1 110 CYS HB2 . . 4.710 3.384 3.116 3.665 . 0 0 "[ . 1 . 2]" 1 2012 1 100 ILE HA 1 110 CYS HB3 . . 4.850 4.748 4.556 4.855 0.005 12 0 "[ . 1 . 2]" 1 2013 1 100 ILE HA 1 111 HIS H . . 4.280 4.102 3.907 4.285 0.005 6 0 "[ . 1 . 2]" 1 2014 1 100 ILE HB 1 100 ILE MD . . 3.180 2.353 2.238 2.461 . 0 0 "[ . 1 . 2]" 1 2015 1 100 ILE MD 1 100 ILE MG . . 2.990 1.944 1.872 2.021 . 0 0 "[ . 1 . 2]" 1 2016 1 100 ILE MD 1 108 PHE HB3 . . 4.370 4.232 4.023 4.391 0.021 8 0 "[ . 1 . 2]" 1 2017 1 100 ILE HG12 1 110 CYS H . . 5.480 5.108 4.798 5.265 . 0 0 "[ . 1 . 2]" 1 2018 1 100 ILE HG12 1 110 CYS HA . . 4.160 3.605 3.178 3.810 . 0 0 "[ . 1 . 2]" 1 2019 1 100 ILE HG12 1 110 CYS HB2 . . 3.900 2.578 2.309 2.833 . 0 0 "[ . 1 . 2]" 1 2020 1 100 ILE HG12 1 110 CYS HB3 . . 4.180 4.150 3.989 4.193 0.013 12 0 "[ . 1 . 2]" 1 2021 1 100 ILE HG13 1 110 CYS HA . . 4.620 4.455 4.299 4.598 . 0 0 "[ . 1 . 2]" 1 2022 1 100 ILE MG 1 101 MET H . . 3.620 2.570 2.316 2.965 . 0 0 "[ . 1 . 2]" 1 2023 1 100 ILE MG 1 101 MET HA . . 4.780 3.925 3.687 4.252 . 0 0 "[ . 1 . 2]" 1 2024 1 100 ILE MG 1 108 PHE H . . 5.140 4.916 4.679 5.142 0.002 12 0 "[ . 1 . 2]" 1 2025 1 100 ILE MG 1 108 PHE HA . . 4.420 3.652 3.385 3.845 . 0 0 "[ . 1 . 2]" 1 2026 1 100 ILE MG 1 108 PHE HB2 . . 3.870 2.954 2.687 3.313 . 0 0 "[ . 1 . 2]" 1 2027 1 100 ILE MG 1 108 PHE HB3 . . 3.430 1.965 1.857 2.186 . 0 0 "[ . 1 . 2]" 1 2028 1 100 ILE MG 1 108 PHE QD . . 4.070 3.353 3.139 3.586 . 0 0 "[ . 1 . 2]" 1 2029 1 100 ILE MG 1 108 PHE QE . . 4.940 4.680 4.357 4.882 . 0 0 "[ . 1 . 2]" 1 2030 1 100 ILE MG 1 109 GLU H . . 4.110 3.360 2.961 3.803 . 0 0 "[ . 1 . 2]" 1 2031 1 100 ILE MG 1 110 CYS HA . . 4.270 3.917 3.647 4.187 . 0 0 "[ . 1 . 2]" 1 2032 1 101 MET H 1 101 MET HB2 . . 4.030 3.725 3.623 3.807 . 0 0 "[ . 1 . 2]" 1 2033 1 101 MET H 1 101 MET HB3 . . 4.080 2.836 2.637 3.058 . 0 0 "[ . 1 . 2]" 1 2034 1 101 MET H 1 101 MET ME . . 4.690 4.721 4.603 4.766 0.076 11 0 "[ . 1 . 2]" 1 2035 1 101 MET H 1 101 MET HG2 . . 4.420 2.359 2.025 3.274 . 0 0 "[ . 1 . 2]" 1 2036 1 101 MET H 1 101 MET HG3 . . 4.400 3.103 2.329 3.468 . 0 0 "[ . 1 . 2]" 1 2037 1 101 MET H 1 109 GLU H . . 4.060 2.733 2.442 3.053 . 0 0 "[ . 1 . 2]" 1 2038 1 101 MET H 1 110 CYS HA . . 4.440 3.468 3.231 3.617 . 0 0 "[ . 1 . 2]" 1 2039 1 101 MET H 1 111 HIS HD2 . . 4.980 4.144 3.806 4.385 . 0 0 "[ . 1 . 2]" 1 2040 1 101 MET HA 1 101 MET ME . . 4.290 4.180 4.036 4.311 0.021 6 0 "[ . 1 . 2]" 1 2041 1 101 MET HA 1 102 ASP H . . 3.130 2.491 2.375 2.517 . 0 0 "[ . 1 . 2]" 1 2042 1 101 MET HA 1 102 ASP HB2 . . 4.990 4.636 4.435 4.751 . 0 0 "[ . 1 . 2]" 1 2043 1 101 MET HA 1 102 ASP HB3 . . 4.920 4.372 4.275 4.571 . 0 0 "[ . 1 . 2]" 1 2044 1 101 MET HB2 1 102 ASP H . . 4.470 2.586 2.508 2.848 . 0 0 "[ . 1 . 2]" 1 2045 1 101 MET HB2 1 103 THR MG . . 4.240 4.004 3.551 4.381 0.141 6 0 "[ . 1 . 2]" 1 2046 1 101 MET HB2 1 109 GLU H . . 4.860 4.827 4.640 4.917 0.057 16 0 "[ . 1 . 2]" 1 2047 1 101 MET HB2 1 111 HIS HD2 . . 4.820 4.769 4.610 4.833 0.013 2 0 "[ . 1 . 2]" 1 2048 1 101 MET HB3 1 102 ASP H . . 4.300 3.959 3.895 4.118 . 0 0 "[ . 1 . 2]" 1 2049 1 101 MET HB3 1 103 THR MG . . 4.900 4.802 4.468 4.976 0.076 6 0 "[ . 1 . 2]" 1 2050 1 101 MET HB3 1 109 GLU H . . 4.950 4.665 4.438 4.946 . 0 0 "[ . 1 . 2]" 1 2051 1 101 MET HB3 1 111 HIS HD2 . . 4.510 3.488 3.275 3.844 . 0 0 "[ . 1 . 2]" 1 2052 1 101 MET ME 1 101 MET HG2 . . 3.920 3.190 2.389 3.389 . 0 0 "[ . 1 . 2]" 1 2053 1 101 MET ME 1 101 MET HG3 . . 3.820 2.622 2.331 3.375 . 0 0 "[ . 1 . 2]" 1 2054 1 101 MET ME 1 102 ASP H . . 4.140 3.636 3.339 4.084 . 0 0 "[ . 1 . 2]" 1 2055 1 101 MET ME 1 103 THR H . . 4.720 4.565 4.239 4.755 0.035 16 0 "[ . 1 . 2]" 1 2056 1 101 MET ME 1 103 THR HA . . 3.760 3.660 3.447 3.774 0.014 9 0 "[ . 1 . 2]" 1 2057 1 101 MET ME 1 103 THR HB . . 4.600 4.358 3.716 4.662 0.062 4 0 "[ . 1 . 2]" 1 2058 1 101 MET ME 1 103 THR MG . . 3.030 2.277 1.790 2.983 . 0 0 "[ . 1 . 2]" 1 2059 1 101 MET ME 1 111 HIS HD2 . . 4.310 4.105 3.898 4.315 0.005 10 0 "[ . 1 . 2]" 1 2060 1 101 MET HG2 1 102 ASP H . . 4.590 4.509 4.302 4.660 0.070 6 0 "[ . 1 . 2]" 1 2061 1 101 MET HG2 1 103 THR MG . . 3.770 3.531 3.198 3.779 0.009 5 0 "[ . 1 . 2]" 1 2062 1 101 MET HG2 1 109 GLU H . . 4.270 2.726 2.075 3.977 . 0 0 "[ . 1 . 2]" 1 2063 1 101 MET HG2 1 111 HIS HD2 . . 4.250 2.994 2.305 3.494 . 0 0 "[ . 1 . 2]" 1 2064 1 101 MET HG3 1 102 ASP H . . 4.580 3.481 3.172 3.831 . 0 0 "[ . 1 . 2]" 1 2065 1 101 MET HG3 1 103 THR MG . . 4.090 2.423 2.125 3.011 . 0 0 "[ . 1 . 2]" 1 2066 1 101 MET HG3 1 109 GLU H . . 5.070 2.722 1.954 3.045 . 0 0 "[ . 1 . 2]" 1 2067 1 101 MET HG3 1 111 HIS HD2 . . 4.600 4.281 3.587 4.624 0.024 18 0 "[ . 1 . 2]" 1 2068 1 102 ASP H 1 102 ASP HB2 . . 3.800 3.211 3.027 3.328 . 0 0 "[ . 1 . 2]" 1 2069 1 102 ASP H 1 102 ASP HB3 . . 3.730 2.376 2.227 2.478 . 0 0 "[ . 1 . 2]" 1 2070 1 102 ASP H 1 103 THR H . . 5.300 4.238 4.029 4.546 . 0 0 "[ . 1 . 2]" 1 2071 1 102 ASP HA 1 103 THR H . . 3.170 2.271 2.252 2.348 . 0 0 "[ . 1 . 2]" 1 2072 1 102 ASP HA 1 103 THR MG . . 4.140 3.587 3.152 4.020 . 0 0 "[ . 1 . 2]" 1 2073 1 102 ASP HA 1 104 GLY H . . 4.290 3.886 3.252 4.302 0.012 20 0 "[ . 1 . 2]" 1 2074 1 102 ASP HA 1 108 PHE HA . . 3.890 2.752 2.310 3.308 . 0 0 "[ . 1 . 2]" 1 2075 1 102 ASP HA 1 108 PHE HB3 . . 4.770 4.334 3.849 4.738 . 0 0 "[ . 1 . 2]" 1 2076 1 102 ASP HA 1 108 PHE QD . . 3.600 2.454 2.067 2.666 . 0 0 "[ . 1 . 2]" 1 2077 1 102 ASP HA 1 108 PHE QE . . 4.560 4.048 3.532 4.457 . 0 0 "[ . 1 . 2]" 1 2078 1 102 ASP HA 1 109 GLU H . . 4.850 3.852 3.365 4.400 . 0 0 "[ . 1 . 2]" 1 2079 1 102 ASP HB2 1 103 THR H . . 4.860 4.287 3.877 4.507 . 0 0 "[ . 1 . 2]" 1 2080 1 102 ASP HB2 1 108 PHE QD . . 4.100 2.835 2.398 3.340 . 0 0 "[ . 1 . 2]" 1 2081 1 102 ASP HB2 1 108 PHE QE . . 4.340 3.035 2.707 3.166 . 0 0 "[ . 1 . 2]" 1 2082 1 102 ASP HB3 1 108 PHE QD . . 4.730 4.367 3.991 4.744 0.014 6 0 "[ . 1 . 2]" 1 2083 1 102 ASP HB3 1 108 PHE QE . . 4.720 4.682 4.329 4.734 0.014 11 0 "[ . 1 . 2]" 1 2084 1 103 THR H 1 103 THR MG . . 3.460 2.357 1.888 2.939 . 0 0 "[ . 1 . 2]" 1 2085 1 103 THR H 1 104 GLY H . . 3.380 2.335 1.997 2.776 . 0 0 "[ . 1 . 2]" 1 2086 1 103 THR H 1 108 PHE HA . . 4.380 3.460 2.592 3.918 . 0 0 "[ . 1 . 2]" 1 2087 1 103 THR H 1 108 PHE QD . . 4.440 4.203 3.704 4.455 0.015 16 0 "[ . 1 . 2]" 1 2088 1 103 THR HA 1 103 THR HB . . 2.980 2.497 2.421 2.623 . 0 0 "[ . 1 . 2]" 1 2089 1 103 THR HA 1 103 THR MG . . 3.160 2.472 2.273 2.613 . 0 0 "[ . 1 . 2]" 1 2090 1 103 THR MG 1 104 GLY H . . 4.600 3.858 3.553 4.294 . 0 0 "[ . 1 . 2]" 1 2091 1 103 THR MG 1 108 PHE HA . . 4.470 3.898 2.845 4.374 . 0 0 "[ . 1 . 2]" 1 2092 1 103 THR MG 1 109 GLU H . . 4.320 3.469 2.856 3.978 . 0 0 "[ . 1 . 2]" 1 2093 1 103 THR MG 1 109 GLU HG3 . . 3.970 2.740 1.938 3.722 . 0 0 "[ . 1 . 2]" 1 2094 1 104 GLY H 1 105 ASN H . . 4.150 4.083 3.086 4.305 0.155 17 0 "[ . 1 . 2]" 1 2095 1 104 GLY H 1 107 ARG H . . 4.460 3.769 2.883 4.468 0.008 3 0 "[ . 1 . 2]" 1 2096 1 105 ASN H 1 106 GLN H . . 4.490 3.896 2.697 4.659 0.169 15 0 "[ . 1 . 2]" 1 2097 1 105 ASN HA 1 106 GLN HG3 . . 4.600 4.269 3.751 4.646 0.046 18 0 "[ . 1 . 2]" 1 2098 1 105 ASN QB 1 106 GLN H . . 4.730 2.660 1.882 3.969 . 0 0 "[ . 1 . 2]" 1 2099 1 105 ASN QB 1 107 ARG H . . 4.870 3.570 2.191 4.352 . 0 0 "[ . 1 . 2]" 1 2100 1 105 ASN QB 1 107 ARG QG . . 5.080 3.979 3.353 4.650 . 0 0 "[ . 1 . 2]" 1 2101 1 106 GLN H 1 106 GLN HG3 . . 3.950 2.781 2.304 4.037 0.087 18 0 "[ . 1 . 2]" 1 2102 1 106 GLN H 1 107 ARG H . . 3.620 3.001 2.006 3.586 . 0 0 "[ . 1 . 2]" 1 2103 1 106 GLN HA 1 106 GLN HG2 . . 3.380 2.929 2.622 3.069 . 0 0 "[ . 1 . 2]" 1 2104 1 106 GLN HA 1 107 ARG H . . 3.630 2.858 2.625 3.145 . 0 0 "[ . 1 . 2]" 1 2105 1 106 GLN HA 1 108 PHE QE . . 4.730 3.848 3.432 4.107 . 0 0 "[ . 1 . 2]" 1 2106 1 106 GLN HA 1 108 PHE HZ . . 3.950 3.605 3.081 3.916 . 0 0 "[ . 1 . 2]" 1 2107 1 106 GLN HB2 1 106 GLN HG3 . . 2.850 2.781 2.595 2.860 0.010 6 0 "[ . 1 . 2]" 1 2108 1 106 GLN HB2 1 107 ARG H . . 4.480 4.297 3.942 4.513 0.033 2 0 "[ . 1 . 2]" 1 2109 1 106 GLN HB3 1 107 ARG H . . 5.180 4.476 4.412 4.530 . 0 0 "[ . 1 . 2]" 1 2110 1 106 GLN HB3 1 108 PHE QE . . 4.730 4.494 3.825 4.753 0.023 16 0 "[ . 1 . 2]" 1 2111 1 106 GLN HB3 1 108 PHE HZ . . 5.070 4.758 3.990 5.080 0.010 18 0 "[ . 1 . 2]" 1 2112 1 106 GLN HG2 1 108 PHE HZ . . 4.810 4.750 4.120 4.825 0.015 11 0 "[ . 1 . 2]" 1 2113 1 106 GLN HG3 1 107 ARG H . . 4.680 4.721 4.643 4.794 0.114 18 0 "[ . 1 . 2]" 1 2114 1 107 ARG H 1 107 ARG HB2 . . 3.740 2.461 2.167 3.367 . 0 0 "[ . 1 . 2]" 1 2115 1 107 ARG H 1 107 ARG HB3 . . 3.570 3.347 2.530 3.523 . 0 0 "[ . 1 . 2]" 1 2116 1 107 ARG H 1 107 ARG HD3 . . 5.500 4.896 2.908 5.789 0.289 12 0 "[ . 1 . 2]" 1 2117 1 107 ARG H 1 107 ARG QG . . 4.160 3.649 2.849 3.896 . 0 0 "[ . 1 . 2]" 1 2118 1 107 ARG H 1 108 PHE H . . 4.500 4.464 4.381 4.611 0.111 13 0 "[ . 1 . 2]" 1 2119 1 107 ARG H 1 108 PHE HA . . 5.500 4.928 4.772 5.221 . 0 0 "[ . 1 . 2]" 1 2120 1 107 ARG HA 1 107 ARG HD2 . . 3.960 3.280 2.216 3.922 . 0 0 "[ . 1 . 2]" 1 2121 1 107 ARG HA 1 107 ARG QG . . 3.890 2.301 2.020 2.639 . 0 0 "[ . 1 . 2]" 1 2122 1 107 ARG HA 1 108 PHE H . . 2.960 2.320 2.245 2.427 . 0 0 "[ . 1 . 2]" 1 2123 1 107 ARG HA 1 108 PHE HA . . 4.910 4.447 4.417 4.480 . 0 0 "[ . 1 . 2]" 1 2124 1 107 ARG HB2 1 107 ARG HD3 . . 4.040 3.744 2.576 4.198 0.158 12 0 "[ . 1 . 2]" 1 2125 1 107 ARG HB2 1 108 PHE H . . 4.380 4.313 3.994 4.537 0.157 12 0 "[ . 1 . 2]" 1 2126 1 107 ARG HB3 1 107 ARG HD3 . . 4.040 3.161 2.428 3.764 . 0 0 "[ . 1 . 2]" 1 2127 1 107 ARG HB3 1 108 PHE H . . 4.540 3.282 2.706 4.292 . 0 0 "[ . 1 . 2]" 1 2128 1 107 ARG HD2 1 108 PHE H . . 4.560 3.514 2.417 4.572 0.012 15 0 "[ . 1 . 2]" 1 2129 1 107 ARG QG 1 108 PHE H . . 4.620 3.696 2.232 4.218 . 0 0 "[ . 1 . 2]" 1 2130 1 108 PHE H 1 108 PHE HB2 . . 3.870 2.688 2.595 2.760 . 0 0 "[ . 1 . 2]" 1 2131 1 108 PHE H 1 108 PHE QD . . 3.960 3.413 2.956 3.590 . 0 0 "[ . 1 . 2]" 1 2132 1 108 PHE H 1 108 PHE QE . . 5.240 4.987 4.650 5.096 . 0 0 "[ . 1 . 2]" 1 2133 1 108 PHE H 1 109 GLU H . . 4.940 4.340 4.163 4.491 . 0 0 "[ . 1 . 2]" 1 2134 1 108 PHE HA 1 108 PHE QD . . 3.730 2.429 2.223 2.718 . 0 0 "[ . 1 . 2]" 1 2135 1 108 PHE HA 1 108 PHE QE . . 4.760 4.627 4.545 4.766 0.006 11 0 "[ . 1 . 2]" 1 2136 1 108 PHE HA 1 109 GLU H . . 3.150 2.253 2.193 2.375 . 0 0 "[ . 1 . 2]" 1 2137 1 108 PHE HA 1 109 GLU HG3 . . 4.940 3.992 3.212 5.591 0.651 11 1 "[ . 1+ . 2]" 1 2138 1 108 PHE HB2 1 109 GLU H . . 4.830 4.060 3.700 4.314 . 0 0 "[ . 1 . 2]" 1 2139 1 108 PHE HB3 1 109 GLU H . . 4.500 3.237 2.821 3.676 . 0 0 "[ . 1 . 2]" 1 2140 1 108 PHE QD 1 109 GLU H . . 4.940 4.169 4.038 4.365 . 0 0 "[ . 1 . 2]" 1 2141 1 109 GLU H 1 109 GLU HB2 . . 4.070 2.568 2.454 2.884 . 0 0 "[ . 1 . 2]" 1 2142 1 109 GLU H 1 109 GLU HG3 . . 4.090 3.082 2.527 4.595 0.505 11 1 "[ . 1+ . 2]" 1 2143 1 109 GLU HA 1 109 GLU HG3 . . 3.570 3.036 2.428 3.743 0.173 13 0 "[ . 1 . 2]" 1 2144 1 109 GLU HA 1 110 CYS H . . 3.110 2.267 2.207 2.380 . 0 0 "[ . 1 . 2]" 1 2145 1 109 GLU HB2 1 110 CYS H . . 5.030 4.161 4.000 4.379 . 0 0 "[ . 1 . 2]" 1 2146 1 109 GLU HB2 1 111 HIS HD2 . . 4.540 3.589 3.170 4.372 . 0 0 "[ . 1 . 2]" 1 2147 1 109 GLU HB3 1 110 CYS H . . 4.190 3.143 2.763 3.488 . 0 0 "[ . 1 . 2]" 1 2148 1 109 GLU HB3 1 111 HIS HD2 . . 4.850 3.744 3.431 4.041 . 0 0 "[ . 1 . 2]" 1 2149 1 109 GLU HG3 1 110 CYS H . . 4.760 5.006 4.507 5.264 0.504 13 1 "[ . 1 + . 2]" 1 2150 1 110 CYS H 1 110 CYS HB2 . . 3.930 2.868 2.680 3.058 . 0 0 "[ . 1 . 2]" 1 2151 1 110 CYS H 1 110 CYS HB3 . . 3.780 2.692 2.514 2.869 . 0 0 "[ . 1 . 2]" 1 2152 1 110 CYS H 1 111 HIS H . . 4.810 4.211 4.058 4.435 . 0 0 "[ . 1 . 2]" 1 2153 1 110 CYS H 1 111 HIS HD2 . . 5.000 4.835 4.470 5.010 0.010 12 0 "[ . 1 . 2]" 1 2154 1 110 CYS HA 1 110 CYS HG . . 3.880 2.412 2.096 3.051 . 0 0 "[ . 1 . 2]" 1 2155 1 110 CYS HA 1 111 HIS H . . 3.220 2.232 2.221 2.253 . 0 0 "[ . 1 . 2]" 1 2156 1 110 CYS HA 1 111 HIS HB2 . . 4.770 4.597 4.545 4.746 . 0 0 "[ . 1 . 2]" 1 2157 1 110 CYS HA 1 111 HIS HD2 . . 4.590 3.784 3.459 4.073 . 0 0 "[ . 1 . 2]" 1 2158 1 110 CYS HB2 1 111 HIS H . . 4.780 4.538 4.270 4.618 . 0 0 "[ . 1 . 2]" 1 2159 1 110 CYS HB3 1 111 HIS H . . 5.010 4.363 4.150 4.468 . 0 0 "[ . 1 . 2]" 1 2160 1 110 CYS HG 1 111 HIS H . . 4.220 3.024 2.129 3.679 . 0 0 "[ . 1 . 2]" 1 2161 1 111 HIS H 1 111 HIS HB2 . . 3.800 2.403 2.349 2.526 . 0 0 "[ . 1 . 2]" 1 2162 1 111 HIS H 1 111 HIS HD2 . . 4.020 2.698 2.317 2.992 . 0 0 "[ . 1 . 2]" 1 2163 1 111 HIS H 1 112 VAL H . . 5.310 4.380 4.173 4.618 . 0 0 "[ . 1 . 2]" 1 2164 1 111 HIS H 1 112 VAL MG2 . . 4.610 4.591 4.332 4.662 0.052 9 0 "[ . 1 . 2]" 1 2165 1 111 HIS HB2 1 111 HIS HD2 . . 3.830 2.907 2.844 2.975 . 0 0 "[ . 1 . 2]" 1 2166 1 111 HIS HB2 1 112 VAL H . . 4.630 4.429 3.952 4.544 . 0 0 "[ . 1 . 2]" 1 2167 1 111 HIS HB2 1 113 PHE QE . . 4.220 2.042 1.991 2.269 . 0 0 "[ . 1 . 2]" 1 2168 1 111 HIS HB3 1 112 VAL H . . 4.600 3.628 2.863 3.872 . 0 0 "[ . 1 . 2]" 1 2169 1 111 HIS HB3 1 113 PHE QE . . 4.220 2.208 2.060 2.571 . 0 0 "[ . 1 . 2]" 1 2170 1 111 HIS HB3 1 113 PHE HZ . . 4.150 2.240 2.098 2.494 . 0 0 "[ . 1 . 2]" 1 2171 1 112 VAL H 1 112 VAL HB . . 3.510 2.372 2.304 2.559 . 0 0 "[ . 1 . 2]" 1 2172 1 112 VAL H 1 112 VAL MG1 . . 4.330 3.724 3.691 3.811 . 0 0 "[ . 1 . 2]" 1 2173 1 112 VAL H 1 112 VAL MG2 . . 3.320 2.422 2.263 2.810 . 0 0 "[ . 1 . 2]" 1 2174 1 112 VAL H 1 113 PHE H . . 5.280 4.578 4.425 4.617 . 0 0 "[ . 1 . 2]" 1 2175 1 112 VAL HA 1 112 VAL MG1 . . 3.400 2.400 2.316 2.537 . 0 0 "[ . 1 . 2]" 1 2176 1 112 VAL HA 1 112 VAL MG2 . . 3.320 2.340 2.220 2.424 . 0 0 "[ . 1 . 2]" 1 2177 1 112 VAL HA 1 113 PHE H . . 3.100 2.272 2.246 2.291 . 0 0 "[ . 1 . 2]" 1 2178 1 112 VAL HA 1 113 PHE QD . . 4.010 3.587 3.362 3.792 . 0 0 "[ . 1 . 2]" 1 2179 1 112 VAL HA 1 113 PHE QE . . 5.020 4.751 4.592 4.909 . 0 0 "[ . 1 . 2]" 1 2180 1 112 VAL HB 1 113 PHE H . . 5.150 4.096 4.043 4.150 . 0 0 "[ . 1 . 2]" 1 2181 1 112 VAL MG1 1 113 PHE H . . 3.380 2.196 2.041 2.441 . 0 0 "[ . 1 . 2]" 1 2182 1 112 VAL MG1 1 113 PHE HA . . 4.300 3.470 3.240 3.622 . 0 0 "[ . 1 . 2]" 1 2183 1 112 VAL MG1 1 113 PHE QD . . 4.780 4.604 4.498 4.679 . 0 0 "[ . 1 . 2]" 1 2184 1 112 VAL MG1 1 114 TRP H . . 5.080 4.908 4.812 4.990 . 0 0 "[ . 1 . 2]" 1 2185 1 112 VAL MG1 1 114 TRP HA . . 5.210 4.813 4.732 4.902 . 0 0 "[ . 1 . 2]" 1 2186 1 112 VAL MG2 1 113 PHE H . . 4.150 3.930 3.859 4.008 . 0 0 "[ . 1 . 2]" 1 2187 1 113 PHE H 1 113 PHE HB2 . . 3.960 2.705 2.670 2.737 . 0 0 "[ . 1 . 2]" 1 2188 1 113 PHE H 1 113 PHE QD . . 3.690 3.280 3.147 3.424 . 0 0 "[ . 1 . 2]" 1 2189 1 113 PHE H 1 114 TRP H . . 4.920 4.417 4.412 4.421 . 0 0 "[ . 1 . 2]" 1 2190 1 113 PHE HA 1 113 PHE QD . . 3.920 2.770 2.637 2.896 . 0 0 "[ . 1 . 2]" 1 2191 1 113 PHE HA 1 114 TRP H . . 3.160 2.478 2.438 2.510 . 0 0 "[ . 1 . 2]" 1 2192 1 113 PHE HB2 1 114 TRP H . . 3.750 3.673 3.602 3.764 0.014 19 0 "[ . 1 . 2]" 1 2193 1 113 PHE HB3 1 114 TRP H . . 3.880 2.524 2.453 2.613 . 0 0 "[ . 1 . 2]" 1 2194 1 113 PHE QD 1 114 TRP H . . 4.560 3.759 3.642 3.871 . 0 0 "[ . 1 . 2]" 1 2195 1 114 TRP H 1 114 TRP HB2 . . 3.950 3.051 2.965 3.161 . 0 0 "[ . 1 . 2]" 1 2196 1 114 TRP H 1 114 TRP HB3 . . 3.600 2.583 2.506 2.630 . 0 0 "[ . 1 . 2]" 1 2197 1 114 TRP HA 1 114 TRP HE3 . . 4.360 3.612 3.241 3.921 . 0 0 "[ . 1 . 2]" 1 2198 1 114 TRP HA 1 115 CYS H . . 3.020 2.209 2.204 2.235 . 0 0 "[ . 1 . 2]" 1 2199 1 114 TRP HB2 1 114 TRP HE3 . . 3.780 2.370 2.331 2.449 . 0 0 "[ . 1 . 2]" 1 2200 1 114 TRP HB2 1 114 TRP HZ3 . . 5.030 4.816 4.787 4.877 . 0 0 "[ . 1 . 2]" 1 2201 1 114 TRP HB2 1 115 CYS H . . 5.080 4.442 4.368 4.516 . 0 0 "[ . 1 . 2]" 1 2202 1 114 TRP HB3 1 115 CYS H . . 5.140 4.431 4.325 4.532 . 0 0 "[ . 1 . 2]" 1 2203 1 114 TRP HD1 1 115 CYS H . . 4.440 3.913 3.397 4.441 0.001 18 0 "[ . 1 . 2]" 1 2204 1 114 TRP HD1 1 115 CYS HA . . 4.680 3.744 3.337 4.064 . 0 0 "[ . 1 . 2]" 1 2205 1 114 TRP HD1 1 116 GLU H . . 5.070 4.445 4.056 4.792 . 0 0 "[ . 1 . 2]" 1 2206 1 114 TRP HD1 1 116 GLU QG . . 3.700 2.320 2.031 2.709 . 0 0 "[ . 1 . 2]" 1 2207 1 114 TRP HE1 1 116 GLU QG . . 3.990 1.908 1.822 2.004 . 0 0 "[ . 1 . 2]" 1 2208 1 115 CYS H 1 115 CYS HB2 . . 3.940 2.789 2.659 2.901 . 0 0 "[ . 1 . 2]" 1 2209 1 115 CYS H 1 115 CYS HB3 . . 4.110 3.740 3.661 3.828 . 0 0 "[ . 1 . 2]" 1 2210 1 115 CYS H 1 115 CYS HG . . 3.810 2.239 2.050 2.524 . 0 0 "[ . 1 . 2]" 1 2211 1 115 CYS H 1 116 GLU H . . 5.120 4.511 4.424 4.581 . 0 0 "[ . 1 . 2]" 1 2212 1 115 CYS H 1 119 ALA HA . . 4.800 4.749 4.569 4.825 0.025 13 0 "[ . 1 . 2]" 1 2213 1 115 CYS H 1 119 ALA MB . . 4.640 3.208 3.094 3.336 . 0 0 "[ . 1 . 2]" 1 2214 1 115 CYS HA 1 116 GLU H . . 3.050 2.352 2.292 2.457 . 0 0 "[ . 1 . 2]" 1 2215 1 115 CYS HB2 1 116 GLU H . . 4.650 3.706 3.417 3.910 . 0 0 "[ . 1 . 2]" 1 2216 1 115 CYS HB2 1 119 ALA HA . . 3.290 2.188 1.998 2.292 . 0 0 "[ . 1 . 2]" 1 2217 1 115 CYS HB2 1 119 ALA MB . . 3.390 2.224 2.040 2.428 . 0 0 "[ . 1 . 2]" 1 2218 1 115 CYS HB2 1 122 VAL MG2 . . 4.220 3.365 3.127 3.570 . 0 0 "[ . 1 . 2]" 1 2219 1 115 CYS HB3 1 116 GLU H . . 4.100 2.961 2.730 3.132 . 0 0 "[ . 1 . 2]" 1 2220 1 115 CYS HB3 1 119 ALA HA . . 3.480 3.061 2.763 3.397 . 0 0 "[ . 1 . 2]" 1 2221 1 115 CYS HB3 1 119 ALA MB . . 4.040 3.534 3.352 3.743 . 0 0 "[ . 1 . 2]" 1 2222 1 115 CYS HB3 1 122 VAL MG2 . . 3.710 2.214 1.995 2.480 . 0 0 "[ . 1 . 2]" 1 2223 1 115 CYS HG 1 119 ALA HA . . 4.240 3.953 3.655 4.218 . 0 0 "[ . 1 . 2]" 1 2224 1 115 CYS HG 1 119 ALA MB . . 3.660 2.363 2.022 2.748 . 0 0 "[ . 1 . 2]" 1 2225 1 115 CYS HG 1 122 VAL MG2 . . 4.240 4.147 3.981 4.256 0.016 9 0 "[ . 1 . 2]" 1 2226 1 116 GLU H 1 116 GLU HB2 . . 3.590 2.701 2.507 2.895 . 0 0 "[ . 1 . 2]" 1 2227 1 116 GLU H 1 116 GLU HB3 . . 4.040 3.771 3.641 3.858 . 0 0 "[ . 1 . 2]" 1 2228 1 116 GLU H 1 116 GLU QG . . 4.070 3.196 2.985 3.523 . 0 0 "[ . 1 . 2]" 1 2229 1 116 GLU HA 1 117 PRO HA . . 3.110 2.072 1.999 2.130 . 0 0 "[ . 1 . 2]" 1 2230 1 116 GLU HA 1 118 ASN H . . 3.780 3.148 2.729 3.742 . 0 0 "[ . 1 . 2]" 1 2231 1 116 GLU HB2 1 117 PRO HA . . 4.130 3.582 3.350 3.796 . 0 0 "[ . 1 . 2]" 1 2232 1 116 GLU HB3 1 117 PRO HA . . 3.190 2.150 1.976 2.432 . 0 0 "[ . 1 . 2]" 1 2233 1 117 PRO HB3 1 118 ASN H . . 4.480 4.357 4.030 4.542 0.062 2 0 "[ . 1 . 2]" 1 2234 1 117 PRO HD2 1 118 ASN H . . 3.190 2.380 2.254 2.534 . 0 0 "[ . 1 . 2]" 1 2235 1 117 PRO HD3 1 118 ASN H . . 4.090 3.704 3.657 3.747 . 0 0 "[ . 1 . 2]" 1 2236 1 117 PRO HG2 1 118 ASN H . . 3.790 3.176 2.513 3.629 . 0 0 "[ . 1 . 2]" 1 2237 1 117 PRO HG2 1 118 ASN HD21 . . 5.210 4.611 4.144 5.201 . 0 0 "[ . 1 . 2]" 1 2238 1 117 PRO HG2 1 118 ASN HD22 . . 5.140 3.781 3.168 4.268 . 0 0 "[ . 1 . 2]" 1 2239 1 117 PRO HG3 1 118 ASN H . . 4.560 4.303 3.877 4.599 0.039 2 0 "[ . 1 . 2]" 1 2240 1 118 ASN H 1 119 ALA H . . 5.110 4.413 4.295 4.513 . 0 0 "[ . 1 . 2]" 1 2241 1 118 ASN H 1 120 ALA H . . 4.490 4.105 4.000 4.222 . 0 0 "[ . 1 . 2]" 1 2242 1 118 ASN HA 1 119 ALA H . . 3.330 2.450 2.386 2.512 . 0 0 "[ . 1 . 2]" 1 2243 1 118 ASN HA 1 119 ALA MB . . 4.490 3.986 3.914 4.035 . 0 0 "[ . 1 . 2]" 1 2244 1 118 ASN HA 1 120 ALA H . . 4.670 4.152 3.960 4.341 . 0 0 "[ . 1 . 2]" 1 2245 1 118 ASN HA 1 120 ALA MB . . 4.730 4.770 4.723 4.832 0.102 1 0 "[ . 1 . 2]" 1 2246 1 118 ASN HB2 1 118 ASN HD22 . . 4.060 3.695 3.447 3.848 . 0 0 "[ . 1 . 2]" 1 2247 1 118 ASN HB2 1 119 ALA H . . 3.750 2.715 2.542 3.160 . 0 0 "[ . 1 . 2]" 1 2248 1 118 ASN HB2 1 120 ALA H . . 4.670 2.657 2.265 3.027 . 0 0 "[ . 1 . 2]" 1 2249 1 118 ASN HB2 1 120 ALA MB . . 4.890 2.528 2.213 2.752 . 0 0 "[ . 1 . 2]" 1 2250 1 118 ASN HB3 1 119 ALA H . . 3.500 3.674 3.136 3.782 0.282 12 0 "[ . 1 . 2]" 1 2251 1 118 ASN HB3 1 120 ALA H . . 4.220 4.210 3.844 4.598 0.378 1 0 "[ . 1 . 2]" 1 2252 1 118 ASN HB3 1 120 ALA MB . . 4.490 3.844 3.456 4.105 . 0 0 "[ . 1 . 2]" 1 2253 1 118 ASN HD21 1 120 ALA H . . 4.990 4.417 3.194 4.859 . 0 0 "[ . 1 . 2]" 1 2254 1 118 ASN HD21 1 120 ALA MB . . 4.480 3.070 1.883 3.702 . 0 0 "[ . 1 . 2]" 1 2255 1 118 ASN HD22 1 120 ALA MB . . 4.350 3.315 2.689 4.099 . 0 0 "[ . 1 . 2]" 1 2256 1 119 ALA H 1 119 ALA MB . . 3.170 2.139 2.006 2.241 . 0 0 "[ . 1 . 2]" 1 2257 1 119 ALA HA 1 120 ALA MB . . 4.810 4.528 4.408 4.627 . 0 0 "[ . 1 . 2]" 1 2258 1 119 ALA HA 1 122 VAL H . . 4.400 3.139 2.843 3.403 . 0 0 "[ . 1 . 2]" 1 2259 1 119 ALA HA 1 122 VAL HB . . 4.110 2.541 2.031 2.902 . 0 0 "[ . 1 . 2]" 1 2260 1 119 ALA HA 1 122 VAL MG1 . . 4.550 3.887 3.436 4.286 . 0 0 "[ . 1 . 2]" 1 2261 1 119 ALA HA 1 122 VAL MG2 . . 4.080 3.343 2.794 3.645 . 0 0 "[ . 1 . 2]" 1 2262 1 119 ALA HA 1 123 SER H . . 4.820 3.613 3.394 4.064 . 0 0 "[ . 1 . 2]" 1 2263 1 119 ALA MB 1 121 ASN H . . 5.240 5.027 4.701 5.257 0.017 9 0 "[ . 1 . 2]" 1 2264 1 119 ALA MB 1 122 VAL H . . 4.470 4.270 4.002 4.493 0.023 18 0 "[ . 1 . 2]" 1 2265 1 119 ALA MB 1 122 VAL HB . . 4.260 3.077 2.613 3.379 . 0 0 "[ . 1 . 2]" 1 2266 1 119 ALA MB 1 122 VAL MG1 . . 4.160 3.218 2.579 3.660 . 0 0 "[ . 1 . 2]" 1 2267 1 119 ALA MB 1 123 SER H . . 4.240 3.231 2.943 3.928 . 0 0 "[ . 1 . 2]" 1 2268 1 119 ALA MB 1 123 SER HB2 . . 4.170 3.141 2.710 3.414 . 0 0 "[ . 1 . 2]" 1 2269 1 119 ALA MB 1 123 SER HB3 . . 4.190 3.778 3.574 4.013 . 0 0 "[ . 1 . 2]" 1 2270 1 120 ALA H 1 120 ALA MB . . 2.800 2.078 1.972 2.133 . 0 0 "[ . 1 . 2]" 1 2271 1 120 ALA H 1 121 ASN H . . 3.790 2.371 2.192 2.821 . 0 0 "[ . 1 . 2]" 1 2272 1 120 ALA H 1 122 VAL H . . 4.660 3.708 3.526 3.956 . 0 0 "[ . 1 . 2]" 1 2273 1 120 ALA HA 1 123 SER H . . 4.320 3.982 3.584 4.189 . 0 0 "[ . 1 . 2]" 1 2274 1 120 ALA HA 1 123 SER HB2 . . 4.560 4.373 3.917 4.563 0.003 15 0 "[ . 1 . 2]" 1 2275 1 120 ALA HA 1 124 GLU H . . 4.760 3.932 3.762 4.119 . 0 0 "[ . 1 . 2]" 1 2276 1 120 ALA MB 1 121 ASN H . . 3.410 2.616 2.286 2.916 . 0 0 "[ . 1 . 2]" 1 2277 1 120 ALA MB 1 121 ASN HA . . 4.160 3.698 3.616 3.811 . 0 0 "[ . 1 . 2]" 1 2278 1 120 ALA MB 1 122 VAL H . . 4.540 4.519 4.276 4.566 0.026 12 0 "[ . 1 . 2]" 1 2279 1 120 ALA MB 1 124 GLU H . . 4.800 4.712 4.534 4.822 0.022 17 0 "[ . 1 . 2]" 1 2280 1 121 ASN H 1 121 ASN HB2 . . 3.500 2.324 2.034 3.538 0.038 18 0 "[ . 1 . 2]" 1 2281 1 121 ASN H 1 121 ASN HB3 . . 3.830 3.382 2.653 3.557 . 0 0 "[ . 1 . 2]" 1 2282 1 121 ASN H 1 122 VAL H . . 3.560 2.553 2.290 2.786 . 0 0 "[ . 1 . 2]" 1 2283 1 121 ASN H 1 122 VAL MG2 . . 4.510 4.391 4.225 4.513 0.003 5 0 "[ . 1 . 2]" 1 2284 1 121 ASN H 1 123 SER H . . 4.890 4.436 3.810 4.727 . 0 0 "[ . 1 . 2]" 1 2285 1 121 ASN HA 1 121 ASN HD22 . . 5.430 4.452 3.528 5.353 . 0 0 "[ . 1 . 2]" 1 2286 1 121 ASN HA 1 124 GLU H . . 4.050 3.567 2.874 3.705 . 0 0 "[ . 1 . 2]" 1 2287 1 121 ASN HA 1 124 GLU HB2 . . 3.900 2.585 2.320 3.924 0.024 8 0 "[ . 1 . 2]" 1 2288 1 121 ASN HA 1 124 GLU HB3 . . 3.850 3.690 2.467 3.870 0.020 18 0 "[ . 1 . 2]" 1 2289 1 121 ASN HA 1 124 GLU HG3 . . 4.170 3.592 3.337 3.823 . 0 0 "[ . 1 . 2]" 1 2290 1 121 ASN HA 1 125 ALA H . . 4.350 3.759 3.307 4.049 . 0 0 "[ . 1 . 2]" 1 2291 1 121 ASN HB2 1 122 VAL H . . 3.890 2.769 2.295 3.698 . 0 0 "[ . 1 . 2]" 1 2292 1 121 ASN HB3 1 121 ASN HD22 . . 4.090 3.750 3.455 4.113 0.023 16 0 "[ . 1 . 2]" 1 2293 1 121 ASN HB3 1 122 VAL H . . 4.030 3.356 2.584 3.912 . 0 0 "[ . 1 . 2]" 1 2294 1 121 ASN HB3 1 122 VAL MG2 . . 4.940 3.911 3.310 4.800 . 0 0 "[ . 1 . 2]" 1 2295 1 122 VAL H 1 122 VAL HB . . 3.290 2.193 2.111 2.360 . 0 0 "[ . 1 . 2]" 1 2296 1 122 VAL H 1 122 VAL MG1 . . 4.060 3.626 3.562 3.692 . 0 0 "[ . 1 . 2]" 1 2297 1 122 VAL H 1 122 VAL MG2 . . 3.130 2.506 2.273 2.782 . 0 0 "[ . 1 . 2]" 1 2298 1 122 VAL H 1 123 SER H . . 3.420 2.884 2.672 3.023 . 0 0 "[ . 1 . 2]" 1 2299 1 122 VAL H 1 124 GLU H . . 5.050 3.868 3.703 4.005 . 0 0 "[ . 1 . 2]" 1 2300 1 122 VAL HA 1 122 VAL MG1 . . 3.300 2.571 2.448 2.645 . 0 0 "[ . 1 . 2]" 1 2301 1 122 VAL HA 1 122 VAL MG2 . . 3.070 2.195 2.103 2.301 . 0 0 "[ . 1 . 2]" 1 2302 1 122 VAL HA 1 125 ALA H . . 4.000 3.440 3.092 3.826 . 0 0 "[ . 1 . 2]" 1 2303 1 122 VAL HA 1 125 ALA MB . . 3.310 2.706 2.500 2.949 . 0 0 "[ . 1 . 2]" 1 2304 1 122 VAL HA 1 126 VAL H . . 4.570 4.135 3.825 4.517 . 0 0 "[ . 1 . 2]" 1 2305 1 122 VAL HA 1 126 VAL MG2 . . 4.650 3.490 3.243 3.704 . 0 0 "[ . 1 . 2]" 1 2306 1 122 VAL HB 1 123 SER H . . 3.430 2.438 2.175 3.009 . 0 0 "[ . 1 . 2]" 1 2307 1 122 VAL MG1 1 123 SER H . . 3.800 2.671 2.379 3.683 . 0 0 "[ . 1 . 2]" 1 2308 1 122 VAL MG1 1 123 SER HA . . 4.080 3.031 2.788 3.654 . 0 0 "[ . 1 . 2]" 1 2309 1 122 VAL MG1 1 126 VAL H . . 4.680 4.130 3.664 4.669 . 0 0 "[ . 1 . 2]" 1 2310 1 122 VAL MG1 1 126 VAL MG2 . . 3.390 2.390 1.938 2.962 . 0 0 "[ . 1 . 2]" 1 2311 1 122 VAL MG2 1 123 SER H . . 4.060 3.935 3.788 4.133 0.073 8 0 "[ . 1 . 2]" 1 2312 1 122 VAL MG2 1 125 ALA MB . . 4.190 3.969 3.838 4.238 0.048 8 0 "[ . 1 . 2]" 1 2313 1 123 SER H 1 123 SER HB2 . . 3.390 2.582 2.328 2.854 . 0 0 "[ . 1 . 2]" 1 2314 1 123 SER H 1 123 SER HB3 . . 3.360 2.404 2.284 2.648 . 0 0 "[ . 1 . 2]" 1 2315 1 123 SER H 1 124 GLU H . . 3.190 2.798 2.220 2.943 . 0 0 "[ . 1 . 2]" 1 2316 1 123 SER H 1 124 GLU HB2 . . 5.050 4.894 4.747 5.697 0.647 8 2 "[ . + 1 - . 2]" 1 2317 1 123 SER HA 1 125 ALA H . . 4.980 4.848 4.449 4.997 0.017 14 0 "[ . 1 . 2]" 1 2318 1 123 SER HA 1 126 VAL H . . 4.220 3.554 3.383 3.630 . 0 0 "[ . 1 . 2]" 1 2319 1 123 SER HA 1 126 VAL HB . . 3.830 2.642 2.395 2.883 . 0 0 "[ . 1 . 2]" 1 2320 1 123 SER HA 1 126 VAL MG2 . . 4.350 3.093 2.578 3.508 . 0 0 "[ . 1 . 2]" 1 2321 1 123 SER HA 1 127 GLN H . . 4.640 3.865 3.611 4.069 . 0 0 "[ . 1 . 2]" 1 2322 1 123 SER HB2 1 124 GLU H . . 4.110 4.093 3.976 4.135 0.025 12 0 "[ . 1 . 2]" 1 2323 1 123 SER HB3 1 124 GLU H . . 3.610 2.835 2.642 3.055 . 0 0 "[ . 1 . 2]" 1 2324 1 124 GLU H 1 124 GLU HB2 . . 3.270 2.306 2.150 3.492 0.222 12 0 "[ . 1 . 2]" 1 2325 1 124 GLU H 1 124 GLU HB3 . . 3.510 3.338 2.169 3.502 . 0 0 "[ . 1 . 2]" 1 2326 1 124 GLU H 1 124 GLU HG2 . . 3.790 2.936 2.790 3.049 . 0 0 "[ . 1 . 2]" 1 2327 1 124 GLU H 1 124 GLU HG3 . . 3.970 3.568 3.384 3.907 . 0 0 "[ . 1 . 2]" 1 2328 1 124 GLU H 1 125 ALA H . . 3.440 2.690 2.403 2.823 . 0 0 "[ . 1 . 2]" 1 2329 1 124 GLU H 1 125 ALA MB . . 4.480 4.209 3.989 4.307 . 0 0 "[ . 1 . 2]" 1 2330 1 124 GLU HA 1 124 GLU HB2 . . 3.030 2.937 2.297 3.025 . 0 0 "[ . 1 . 2]" 1 2331 1 124 GLU HA 1 124 GLU HG2 . . 3.670 2.461 2.204 3.794 0.124 12 0 "[ . 1 . 2]" 1 2332 1 124 GLU HA 1 124 GLU HG3 . . 3.590 3.559 3.500 3.605 0.015 9 0 "[ . 1 . 2]" 1 2333 1 124 GLU HA 1 126 VAL H . . 4.710 3.990 3.599 4.317 . 0 0 "[ . 1 . 2]" 1 2334 1 124 GLU HA 1 128 ALA MB . . 4.400 4.159 3.802 4.366 . 0 0 "[ . 1 . 2]" 1 2335 1 124 GLU HB2 1 125 ALA H . . 3.770 2.755 2.523 4.029 0.259 8 0 "[ . 1 . 2]" 1 2336 1 124 GLU HB3 1 125 ALA H . . 3.760 3.162 2.992 3.564 . 0 0 "[ . 1 . 2]" 1 2337 1 124 GLU HG2 1 125 ALA H . . 4.780 4.442 1.876 4.765 . 0 0 "[ . 1 . 2]" 1 2338 1 124 GLU HG3 1 125 ALA H . . 5.500 4.642 2.694 4.992 . 0 0 "[ . 1 . 2]" 1 2339 1 125 ALA H 1 125 ALA MB . . 2.920 2.067 1.956 2.162 . 0 0 "[ . 1 . 2]" 1 2340 1 125 ALA H 1 126 VAL H . . 3.380 2.730 2.540 2.833 . 0 0 "[ . 1 . 2]" 1 2341 1 125 ALA H 1 126 VAL MG2 . . 4.570 4.101 3.640 4.299 . 0 0 "[ . 1 . 2]" 1 2342 1 125 ALA H 1 127 GLN H . . 4.940 4.363 4.149 4.560 . 0 0 "[ . 1 . 2]" 1 2343 1 125 ALA HA 1 128 ALA H . . 4.140 3.867 3.542 4.109 . 0 0 "[ . 1 . 2]" 1 2344 1 125 ALA HA 1 128 ALA MB . . 3.130 2.726 2.326 3.152 0.022 7 0 "[ . 1 . 2]" 1 2345 1 125 ALA MB 1 126 VAL H . . 3.300 2.847 2.579 3.161 . 0 0 "[ . 1 . 2]" 1 2346 1 125 ALA MB 1 126 VAL HA . . 4.380 3.893 3.781 4.063 . 0 0 "[ . 1 . 2]" 1 2347 1 125 ALA MB 1 126 VAL MG2 . . 3.590 3.004 2.825 3.183 . 0 0 "[ . 1 . 2]" 1 2348 1 126 VAL H 1 126 VAL HB . . 3.250 2.345 2.284 2.418 . 0 0 "[ . 1 . 2]" 1 2349 1 126 VAL H 1 126 VAL MG1 . . 3.830 3.704 3.684 3.747 . 0 0 "[ . 1 . 2]" 1 2350 1 126 VAL H 1 126 VAL MG2 . . 2.990 2.304 2.084 2.561 . 0 0 "[ . 1 . 2]" 1 2351 1 126 VAL H 1 127 GLN H . . 3.440 2.488 2.276 2.696 . 0 0 "[ . 1 . 2]" 1 2352 1 126 VAL H 1 128 ALA H . . 4.590 4.039 3.680 4.312 . 0 0 "[ . 1 . 2]" 1 2353 1 126 VAL HA 1 126 VAL MG1 . . 3.010 2.488 2.435 2.526 . 0 0 "[ . 1 . 2]" 1 2354 1 126 VAL HA 1 126 VAL MG2 . . 3.000 2.339 2.239 2.453 . 0 0 "[ . 1 . 2]" 1 2355 1 126 VAL HA 1 129 ALA H . . 3.890 3.587 3.371 3.724 . 0 0 "[ . 1 . 2]" 1 2356 1 126 VAL HA 1 129 ALA MB . . 3.410 2.714 2.099 3.298 . 0 0 "[ . 1 . 2]" 1 2357 1 126 VAL HB 1 127 GLN H . . 3.680 2.508 2.349 2.677 . 0 0 "[ . 1 . 2]" 1 2358 1 126 VAL MG1 1 127 GLN H . . 3.760 3.354 3.233 3.445 . 0 0 "[ . 1 . 2]" 1 2359 1 126 VAL MG1 1 127 GLN HA . . 4.150 3.429 3.328 3.535 . 0 0 "[ . 1 . 2]" 1 2360 1 126 VAL MG1 1 129 ALA H . . 4.400 4.373 4.230 4.416 0.016 2 0 "[ . 1 . 2]" 1 2361 1 126 VAL MG1 1 130 CYS H . . 4.570 3.924 3.588 4.372 . 0 0 "[ . 1 . 2]" 1 2362 1 126 VAL MG1 1 130 CYS HB2 . . 4.900 3.863 3.584 4.324 . 0 0 "[ . 1 . 2]" 1 2363 1 126 VAL MG1 1 130 CYS HB3 . . 4.910 4.729 4.361 4.919 0.009 19 0 "[ . 1 . 2]" 1 2364 1 126 VAL MG2 1 127 GLN H . . 4.170 3.859 3.769 3.953 . 0 0 "[ . 1 . 2]" 1 2365 1 127 GLN H 1 127 GLN HB2 . . 3.950 2.521 2.365 3.519 . 0 0 "[ . 1 . 2]" 1 2366 1 127 GLN H 1 127 GLN HB3 . . 3.480 3.416 2.278 3.547 0.067 18 0 "[ . 1 . 2]" 1 2367 1 127 GLN H 1 127 GLN HG2 . . 3.980 2.494 2.399 2.628 . 0 0 "[ . 1 . 2]" 1 2368 1 127 GLN H 1 127 GLN HG3 . . 4.030 2.978 2.746 3.698 . 0 0 "[ . 1 . 2]" 1 2369 1 127 GLN H 1 128 ALA H . . 3.560 2.825 2.719 2.950 . 0 0 "[ . 1 . 2]" 1 2370 1 127 GLN H 1 128 ALA MB . . 4.400 4.250 4.131 4.429 0.029 9 0 "[ . 1 . 2]" 1 2371 1 127 GLN H 1 129 ALA H . . 4.300 3.926 3.732 4.160 . 0 0 "[ . 1 . 2]" 1 2372 1 127 GLN HA 1 127 GLN HG2 . . 3.620 2.500 2.309 3.753 0.133 9 0 "[ . 1 . 2]" 1 2373 1 127 GLN HA 1 127 GLN HG3 . . 3.620 3.625 3.584 3.708 0.088 7 0 "[ . 1 . 2]" 1 2374 1 127 GLN HA 1 129 ALA H . . 4.650 3.724 3.598 3.856 . 0 0 "[ . 1 . 2]" 1 2375 1 127 GLN HA 1 130 CYS H . . 4.230 3.044 2.811 3.346 . 0 0 "[ . 1 . 2]" 1 2376 1 127 GLN HA 1 130 CYS HB2 . . 4.160 3.268 2.137 3.831 . 0 0 "[ . 1 . 2]" 1 2377 1 127 GLN HA 1 130 CYS HB3 . . 3.810 2.945 2.372 4.106 0.296 1 0 "[ . 1 . 2]" 1 2378 1 127 GLN HB2 1 128 ALA H . . 3.900 2.603 2.380 3.839 . 0 0 "[ . 1 . 2]" 1 2379 1 127 GLN HB2 1 128 ALA MB . . 4.950 4.098 3.887 4.934 . 0 0 "[ . 1 . 2]" 1 2380 1 127 GLN HB2 1 129 ALA H . . 5.150 4.744 4.571 5.119 . 0 0 "[ . 1 . 2]" 1 2381 1 127 GLN HB3 1 128 ALA H . . 3.760 3.458 3.266 3.756 . 0 0 "[ . 1 . 2]" 1 2382 1 127 GLN HB3 1 128 ALA MB . . 4.850 4.779 4.597 5.107 0.257 9 0 "[ . 1 . 2]" 1 2383 1 127 GLN HB3 1 129 ALA H . . 5.120 5.032 4.925 5.147 0.027 9 0 "[ . 1 . 2]" 1 2384 1 127 GLN HE22 1 127 GLN HG3 . . 4.090 3.589 3.447 4.155 0.065 15 0 "[ . 1 . 2]" 1 2385 1 127 GLN HG2 1 128 ALA H . . 4.600 4.306 1.893 4.605 0.005 17 0 "[ . 1 . 2]" 1 2386 1 127 GLN HG3 1 128 ALA H . . 4.530 4.307 2.240 4.604 0.074 1 0 "[ . 1 . 2]" 1 2387 1 128 ALA H 1 128 ALA MB . . 2.760 2.010 1.942 2.166 . 0 0 "[ . 1 . 2]" 1 2388 1 128 ALA H 1 129 ALA H . . 3.380 2.808 2.597 2.902 . 0 0 "[ . 1 . 2]" 1 2389 1 128 ALA H 1 129 ALA MB . . 4.870 4.351 4.017 4.535 . 0 0 "[ . 1 . 2]" 1 2390 1 128 ALA HA 1 131 SER H . . 4.210 3.833 3.388 4.160 . 0 0 "[ . 1 . 2]" 1 2391 1 128 ALA HA 1 131 SER QB . . 3.910 3.135 2.415 3.787 . 0 0 "[ . 1 . 2]" 1 2392 1 128 ALA MB 1 129 ALA H . . 3.230 2.978 2.791 3.228 . 0 0 "[ . 1 . 2]" 1 2393 1 129 ALA H 1 129 ALA MB . . 2.950 2.064 1.964 2.228 . 0 0 "[ . 1 . 2]" 1 2394 1 129 ALA H 1 130 CYS HB3 . . 5.130 4.849 4.432 5.991 0.861 1 2 "[+ . 1 - . 2]" 1 2395 1 129 ALA MB 1 130 CYS H . . 3.540 2.481 2.045 2.989 . 0 0 "[ . 1 . 2]" 1 2396 1 129 ALA MB 1 130 CYS HA . . 4.750 3.713 3.641 3.838 . 0 0 "[ . 1 . 2]" 1 2397 1 130 CYS H 1 130 CYS HB2 . . 3.760 2.428 2.209 2.718 . 0 0 "[ . 1 . 2]" 1 2398 1 130 CYS H 1 130 CYS HB3 . . 3.420 2.685 2.400 3.560 0.140 1 0 "[ . 1 . 2]" 1 2399 1 130 CYS H 1 131 SER H . . 3.520 2.816 2.443 3.060 . 0 0 "[ . 1 . 2]" 1 2400 1 130 CYS HB2 1 131 SER H . . 4.060 3.615 2.224 3.965 . 0 0 "[ . 1 . 2]" 1 2401 1 130 CYS HB3 1 131 SER H . . 3.980 2.486 2.123 3.449 . 0 0 "[ . 1 . 2]" 1 2402 1 130 CYS HB3 1 131 SER HA . . 4.670 4.183 3.965 4.932 0.262 1 0 "[ . 1 . 2]" 1 2403 1 131 SER H 1 131 SER QB . . 3.280 2.445 2.034 3.012 . 0 0 "[ . 1 . 2]" 1 2404 1 131 SER H 1 132 GLY H . . 3.900 3.212 2.700 3.881 . 0 0 "[ . 1 . 2]" 1 2405 1 131 SER QB 1 132 GLY H . . 4.410 3.133 2.119 4.049 . 0 0 "[ . 1 . 2]" 1 2406 1 132 GLY H 1 133 PRO HD3 . . 4.840 4.483 3.446 4.809 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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