NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
452434 | 2v6z | 7419 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2v6z 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 843 _Distance_constraint_stats_list.Viol_count 1147 _Distance_constraint_stats_list.Viol_total 545.087 _Distance_constraint_stats_list.Viol_max 0.169 _Distance_constraint_stats_list.Viol_rms 0.0081 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0016 _Distance_constraint_stats_list.Viol_average_violations_only 0.0238 _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 25 MET 1.276 0.128 15 0 "[ . 1 . 2]" 1 26 ALA 0.869 0.128 15 0 "[ . 1 . 2]" 1 27 PRO 0.094 0.033 5 0 "[ . 1 . 2]" 1 28 GLU 0.103 0.044 14 0 "[ . 1 . 2]" 1 29 ARG 0.002 0.002 4 0 "[ . 1 . 2]" 1 30 LEU 0.853 0.169 17 0 "[ . 1 . 2]" 1 31 ARG 0.617 0.091 7 0 "[ . 1 . 2]" 1 32 SER 0.139 0.044 14 0 "[ . 1 . 2]" 1 33 ARG 0.292 0.045 16 0 "[ . 1 . 2]" 1 34 ALA 0.317 0.043 2 0 "[ . 1 . 2]" 1 35 LEU 1.496 0.078 10 0 "[ . 1 . 2]" 1 36 SER 0.202 0.030 8 0 "[ . 1 . 2]" 1 37 ALA 0.814 0.043 2 0 "[ . 1 . 2]" 1 38 PHE 1.340 0.078 10 0 "[ . 1 . 2]" 1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 LEU 0.425 0.027 18 0 "[ . 1 . 2]" 1 41 ARG 1.170 0.082 4 0 "[ . 1 . 2]" 1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 LEU 0.713 0.055 9 0 "[ . 1 . 2]" 1 44 LEU 0.063 0.021 5 0 "[ . 1 . 2]" 1 45 LEU 0.226 0.040 1 0 "[ . 1 . 2]" 1 46 ARG 0.320 0.060 6 0 "[ . 1 . 2]" 1 47 GLY 1.554 0.132 1 0 "[ . 1 . 2]" 1 48 GLU 0.072 0.031 9 0 "[ . 1 . 2]" 1 49 ALA 0.624 0.038 9 0 "[ . 1 . 2]" 1 50 ILE 1.895 0.132 1 0 "[ . 1 . 2]" 1 51 LYS 1.431 0.075 17 0 "[ . 1 . 2]" 1 52 TYR 0.964 0.050 11 0 "[ . 1 . 2]" 1 53 LEU 0.712 0.050 11 0 "[ . 1 . 2]" 1 54 THR 0.851 0.075 17 0 "[ . 1 . 2]" 1 55 GLU 0.029 0.017 8 0 "[ . 1 . 2]" 1 56 ALA 0.018 0.010 4 0 "[ . 1 . 2]" 1 57 LEU 0.218 0.032 8 0 "[ . 1 . 2]" 1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 SER 0.008 0.008 15 0 "[ . 1 . 2]" 1 60 ILE 1.569 0.055 6 0 "[ . 1 . 2]" 1 61 SER 1.273 0.055 6 0 "[ . 1 . 2]" 1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 LEU 0.669 0.105 15 0 "[ . 1 . 2]" 1 64 GLU 1.308 0.052 4 0 "[ . 1 . 2]" 1 65 LEU 1.531 0.105 15 0 "[ . 1 . 2]" 1 66 GLU 1.207 0.069 7 0 "[ . 1 . 2]" 1 67 ASP 0.119 0.016 12 0 "[ . 1 . 2]" 1 68 LYS 0.585 0.036 9 0 "[ . 1 . 2]" 1 69 LEU 0.178 0.039 1 0 "[ . 1 . 2]" 1 70 GLU 0.109 0.016 12 0 "[ . 1 . 2]" 1 71 LYS 0.979 0.055 16 0 "[ . 1 . 2]" 1 72 ILE 1.278 0.055 16 0 "[ . 1 . 2]" 1 73 ILE 0.688 0.049 11 0 "[ . 1 . 2]" 1 74 ASN 0.097 0.023 19 0 "[ . 1 . 2]" 1 75 ALA 0.888 0.055 15 0 "[ . 1 . 2]" 1 76 VAL 0.929 0.042 6 0 "[ . 1 . 2]" 1 77 GLU 0.618 0.055 15 0 "[ . 1 . 2]" 1 78 LYS 0.066 0.020 3 0 "[ . 1 . 2]" 1 79 GLN 1.042 0.064 13 0 "[ . 1 . 2]" 1 80 PRO 1.003 0.090 11 0 "[ . 1 . 2]" 1 81 LEU 0.786 0.109 10 0 "[ . 1 . 2]" 1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 SER 0.436 0.109 10 0 "[ . 1 . 2]" 1 84 ASN 0.853 0.069 19 0 "[ . 1 . 2]" 1 85 MET 1.742 0.069 19 0 "[ . 1 . 2]" 1 86 ILE 0.399 0.033 9 0 "[ . 1 . 2]" 1 87 GLU 0.766 0.051 9 0 "[ . 1 . 2]" 1 88 ARG 1.465 0.113 15 0 "[ . 1 . 2]" 1 89 SER 0.709 0.113 15 0 "[ . 1 . 2]" 1 90 VAL 1.671 0.066 18 0 "[ . 1 . 2]" 1 91 VAL 0.790 0.041 5 0 "[ . 1 . 2]" 1 92 GLU 0.450 0.040 18 0 "[ . 1 . 2]" 1 93 ALA 0.881 0.044 1 0 "[ . 1 . 2]" 1 94 ALA 0.578 0.058 5 0 "[ . 1 . 2]" 1 95 VAL 0.802 0.048 7 0 "[ . 1 . 2]" 1 96 GLN 1.088 0.050 19 0 "[ . 1 . 2]" 1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 98 SER 0.481 0.058 5 0 "[ . 1 . 2]" 1 99 SER 0.466 0.050 19 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 25 MET H 1 25 MET HB3 . . 4.000 3.278 2.510 4.040 0.040 9 0 "[ . 1 . 2]" 1 2 1 25 MET H 1 25 MET ME . . 5.170 4.963 4.434 5.211 0.041 14 0 "[ . 1 . 2]" 1 3 1 25 MET H 1 26 ALA H . . 4.380 4.154 2.491 4.508 0.128 15 0 "[ . 1 . 2]" 1 4 1 25 MET HA 1 25 MET ME . . 4.330 3.286 2.014 4.389 0.059 11 0 "[ . 1 . 2]" 1 5 1 25 MET HA 1 26 ALA H . . 3.200 2.300 2.062 2.640 . 0 0 "[ . 1 . 2]" 1 6 1 25 MET HA 1 26 ALA MB . . 4.140 3.934 3.732 4.187 0.047 16 0 "[ . 1 . 2]" 1 7 1 25 MET HB3 1 26 ALA H . . 5.020 3.492 2.058 4.431 . 0 0 "[ . 1 . 2]" 1 8 1 25 MET ME 1 26 ALA H . . 4.900 3.292 1.782 4.906 0.006 17 0 "[ . 1 . 2]" 1 9 1 25 MET ME 1 29 ARG HA . . 4.770 4.360 3.925 4.772 0.002 4 0 "[ . 1 . 2]" 1 10 1 25 MET ME 1 30 LEU H . . 4.790 3.354 2.542 4.180 . 0 0 "[ . 1 . 2]" 1 11 1 25 MET ME 1 31 ARG H . . 5.500 5.164 4.627 5.543 0.043 3 0 "[ . 1 . 2]" 1 12 1 26 ALA H 1 26 ALA MB . . 3.210 2.432 2.108 2.714 . 0 0 "[ . 1 . 2]" 1 13 1 26 ALA H 1 27 PRO HD3 . . 5.100 4.840 4.307 5.133 0.033 5 0 "[ . 1 . 2]" 1 14 1 26 ALA HA 1 27 PRO HD3 . . 3.200 2.250 2.055 2.644 . 0 0 "[ . 1 . 2]" 1 15 1 26 ALA MB 1 27 PRO HD3 . . 3.620 3.277 2.948 3.642 0.022 19 0 "[ . 1 . 2]" 1 16 1 26 ALA MB 1 28 GLU H . . 4.160 2.908 2.581 3.475 . 0 0 "[ . 1 . 2]" 1 17 1 26 ALA MB 1 29 ARG H . . 3.830 3.100 2.519 3.778 . 0 0 "[ . 1 . 2]" 1 18 1 27 PRO HA 1 30 LEU H . . 4.340 3.545 3.147 4.005 . 0 0 "[ . 1 . 2]" 1 19 1 27 PRO HA 1 30 LEU QD . . 3.850 2.536 2.179 3.281 . 0 0 "[ . 1 . 2]" 1 20 1 27 PRO HA 1 31 ARG H . . 5.250 4.174 3.552 5.267 0.017 14 0 "[ . 1 . 2]" 1 21 1 27 PRO HB3 1 28 GLU H . . 4.500 4.129 3.827 4.371 . 0 0 "[ . 1 . 2]" 1 22 1 27 PRO HD3 1 28 GLU H . . 4.720 4.236 3.961 4.591 . 0 0 "[ . 1 . 2]" 1 23 1 28 GLU H 1 29 ARG H . . 4.020 2.734 2.260 2.890 . 0 0 "[ . 1 . 2]" 1 24 1 28 GLU HA 1 31 ARG H . . 4.160 3.544 3.216 4.067 . 0 0 "[ . 1 . 2]" 1 25 1 28 GLU HA 1 32 SER H . . 4.780 4.254 3.325 4.824 0.044 14 0 "[ . 1 . 2]" 1 26 1 29 ARG H 1 29 ARG HG3 . . 4.900 2.912 2.365 4.545 . 0 0 "[ . 1 . 2]" 1 27 1 29 ARG H 1 30 LEU H . . 3.460 2.531 2.137 2.766 . 0 0 "[ . 1 . 2]" 1 28 1 29 ARG H 1 31 ARG H . . 4.850 4.031 3.755 4.255 . 0 0 "[ . 1 . 2]" 1 29 1 29 ARG HA 1 29 ARG HG3 . . 3.830 2.995 2.382 3.329 . 0 0 "[ . 1 . 2]" 1 30 1 29 ARG HA 1 31 ARG H . . 5.480 4.491 3.662 5.071 . 0 0 "[ . 1 . 2]" 1 31 1 30 LEU H 1 30 LEU HB3 . . 3.700 2.930 2.062 3.642 . 0 0 "[ . 1 . 2]" 1 32 1 30 LEU H 1 30 LEU QD . . 4.330 3.245 2.732 3.824 . 0 0 "[ . 1 . 2]" 1 33 1 30 LEU H 1 30 LEU HG . . 3.920 2.839 2.154 4.089 0.169 17 0 "[ . 1 . 2]" 1 34 1 30 LEU H 1 31 ARG H . . 3.380 2.513 1.968 2.916 . 0 0 "[ . 1 . 2]" 1 35 1 30 LEU QD 1 31 ARG H . . 4.440 3.438 2.479 4.461 0.021 7 0 "[ . 1 . 2]" 1 36 1 30 LEU HG 1 31 ARG H . . 4.810 3.702 2.697 4.860 0.050 1 0 "[ . 1 . 2]" 1 37 1 31 ARG H 1 31 ARG HB3 . . 3.530 3.091 2.417 3.621 0.091 7 0 "[ . 1 . 2]" 1 38 1 31 ARG H 1 31 ARG HG3 . . 4.720 3.370 2.115 4.513 . 0 0 "[ . 1 . 2]" 1 39 1 31 ARG H 1 32 SER H . . 3.260 2.823 2.416 3.142 . 0 0 "[ . 1 . 2]" 1 40 1 31 ARG HA 1 31 ARG HG3 . . 3.950 2.720 2.506 3.185 . 0 0 "[ . 1 . 2]" 1 41 1 31 ARG HB3 1 32 SER H . . 3.950 3.008 2.337 3.868 . 0 0 "[ . 1 . 2]" 1 42 1 32 SER H 1 33 ARG H . . 4.500 2.941 2.092 3.381 . 0 0 "[ . 1 . 2]" 1 43 1 32 SER HA 1 35 LEU H . . 4.420 3.426 2.936 3.794 . 0 0 "[ . 1 . 2]" 1 44 1 32 SER HA 1 35 LEU QD . . 3.680 3.242 2.500 3.700 0.020 3 0 "[ . 1 . 2]" 1 45 1 33 ARG H 1 33 ARG HD3 . . 5.350 4.321 3.313 4.845 . 0 0 "[ . 1 . 2]" 1 46 1 33 ARG H 1 34 ALA H . . 3.550 2.823 2.643 3.016 . 0 0 "[ . 1 . 2]" 1 47 1 33 ARG H 1 34 ALA MB . . 4.570 4.432 4.188 4.598 0.028 2 0 "[ . 1 . 2]" 1 48 1 33 ARG H 1 65 LEU QD . . 4.530 4.364 4.062 4.575 0.045 16 0 "[ . 1 . 2]" 1 49 1 33 ARG HA 1 33 ARG HD3 . . 4.060 2.824 2.148 3.916 . 0 0 "[ . 1 . 2]" 1 50 1 33 ARG HB3 1 34 ALA H . . 4.250 3.202 2.416 3.757 . 0 0 "[ . 1 . 2]" 1 51 1 33 ARG HD3 1 65 LEU QD . . 4.500 4.415 4.244 4.529 0.029 3 0 "[ . 1 . 2]" 1 52 1 34 ALA H 1 34 ALA MB . . 3.080 2.195 2.135 2.238 . 0 0 "[ . 1 . 2]" 1 53 1 34 ALA H 1 53 LEU QD . . 5.100 4.703 4.333 5.110 0.010 13 0 "[ . 1 . 2]" 1 54 1 34 ALA H 1 65 LEU QD . . 4.450 3.427 2.908 4.077 . 0 0 "[ . 1 . 2]" 1 55 1 34 ALA H 1 69 LEU QD . . 4.570 4.075 3.762 4.307 . 0 0 "[ . 1 . 2]" 1 56 1 34 ALA HA 1 37 ALA H . . 4.010 3.641 3.233 3.944 . 0 0 "[ . 1 . 2]" 1 57 1 34 ALA HA 1 38 PHE QD . . 5.280 4.405 3.903 4.930 . 0 0 "[ . 1 . 2]" 1 58 1 34 ALA HA 1 53 LEU QD . . 4.730 4.038 3.815 4.247 . 0 0 "[ . 1 . 2]" 1 59 1 34 ALA HA 1 57 LEU QD . . 5.440 4.664 3.581 5.163 . 0 0 "[ . 1 . 2]" 1 60 1 34 ALA HA 1 69 LEU QD . . 3.250 2.079 1.897 2.407 . 0 0 "[ . 1 . 2]" 1 61 1 34 ALA MB 1 35 LEU H . . 3.770 2.514 2.301 2.682 . 0 0 "[ . 1 . 2]" 1 62 1 34 ALA MB 1 35 LEU HA . . 4.120 3.929 3.746 4.056 . 0 0 "[ . 1 . 2]" 1 63 1 34 ALA MB 1 36 SER H . . 4.810 4.616 4.526 4.686 . 0 0 "[ . 1 . 2]" 1 64 1 34 ALA MB 1 37 ALA H . . 4.810 4.742 4.485 4.853 0.043 2 0 "[ . 1 . 2]" 1 65 1 34 ALA MB 1 38 PHE H . . 5.170 5.037 4.593 5.190 0.020 13 0 "[ . 1 . 2]" 1 66 1 34 ALA MB 1 38 PHE QD . . 4.450 3.923 3.518 4.233 . 0 0 "[ . 1 . 2]" 1 67 1 34 ALA MB 1 38 PHE QE . . 4.650 4.185 3.715 4.591 . 0 0 "[ . 1 . 2]" 1 68 1 34 ALA MB 1 45 LEU QD . . 4.160 3.404 2.578 4.023 . 0 0 "[ . 1 . 2]" 1 69 1 34 ALA MB 1 53 LEU QD . . 3.340 2.102 1.945 2.315 . 0 0 "[ . 1 . 2]" 1 70 1 34 ALA MB 1 57 LEU QD . . 3.710 3.229 2.172 3.721 0.011 10 0 "[ . 1 . 2]" 1 71 1 35 LEU H 1 35 LEU HB3 . . 3.750 3.233 2.947 3.605 . 0 0 "[ . 1 . 2]" 1 72 1 35 LEU H 1 35 LEU QD . . 3.940 3.493 3.116 3.732 . 0 0 "[ . 1 . 2]" 1 73 1 35 LEU H 1 35 LEU HG . . 3.830 3.293 2.263 3.890 0.060 14 0 "[ . 1 . 2]" 1 74 1 35 LEU H 1 36 SER H . . 3.530 2.816 2.643 2.928 . 0 0 "[ . 1 . 2]" 1 75 1 35 LEU HA 1 37 ALA MB . . 4.820 4.833 4.756 4.855 0.035 15 0 "[ . 1 . 2]" 1 76 1 35 LEU HA 1 38 PHE H . . 4.220 3.550 3.379 3.639 . 0 0 "[ . 1 . 2]" 1 77 1 35 LEU HA 1 38 PHE QE . . 5.500 5.518 5.396 5.578 0.078 10 0 "[ . 1 . 2]" 1 78 1 35 LEU HA 1 39 LYS H . . 4.660 4.133 4.031 4.345 . 0 0 "[ . 1 . 2]" 1 79 1 35 LEU HA 1 45 LEU QD . . 3.590 2.781 2.266 3.297 . 0 0 "[ . 1 . 2]" 1 80 1 35 LEU HB3 1 36 SER H . . 4.090 3.038 2.611 3.607 . 0 0 "[ . 1 . 2]" 1 81 1 35 LEU QD 1 36 SER H . . 4.590 3.947 3.750 4.194 . 0 0 "[ . 1 . 2]" 1 82 1 35 LEU QD 1 38 PHE H . . 5.500 4.578 4.102 5.061 . 0 0 "[ . 1 . 2]" 1 83 1 35 LEU QD 1 38 PHE HB3 . . 4.910 4.156 3.339 4.927 0.017 2 0 "[ . 1 . 2]" 1 84 1 35 LEU HG 1 36 SER H . . 5.150 4.876 4.438 5.159 0.009 5 0 "[ . 1 . 2]" 1 85 1 35 LEU HG 1 45 LEU QD . . 4.110 2.911 2.253 3.703 . 0 0 "[ . 1 . 2]" 1 86 1 36 SER H 1 36 SER HB3 . . 3.600 3.081 2.415 3.630 0.030 8 0 "[ . 1 . 2]" 1 87 1 36 SER HA 1 38 PHE H . . 4.760 4.557 4.389 4.708 . 0 0 "[ . 1 . 2]" 1 88 1 36 SER HA 1 39 LYS H . . 3.970 3.426 3.285 3.581 . 0 0 "[ . 1 . 2]" 1 89 1 37 ALA H 1 37 ALA MB . . 2.890 2.191 2.159 2.232 . 0 0 "[ . 1 . 2]" 1 90 1 37 ALA H 1 38 PHE H . . 3.520 2.762 2.620 2.856 . 0 0 "[ . 1 . 2]" 1 91 1 37 ALA H 1 40 LEU HG . . 5.500 5.121 4.700 5.425 . 0 0 "[ . 1 . 2]" 1 92 1 37 ALA H 1 69 LEU QD . . 3.810 3.650 3.394 3.831 0.021 8 0 "[ . 1 . 2]" 1 93 1 37 ALA H 1 73 ILE MD . . 4.970 4.701 4.351 4.978 0.008 7 0 "[ . 1 . 2]" 1 94 1 37 ALA HA 1 40 LEU QD . . 3.650 2.412 2.306 2.490 . 0 0 "[ . 1 . 2]" 1 95 1 37 ALA HA 1 40 LEU HG . . 3.830 3.318 2.241 3.857 0.027 18 0 "[ . 1 . 2]" 1 96 1 37 ALA HA 1 73 ILE MD . . 4.560 3.969 3.691 4.346 . 0 0 "[ . 1 . 2]" 1 97 1 37 ALA MB 1 38 PHE H . . 3.220 2.534 2.426 2.628 . 0 0 "[ . 1 . 2]" 1 98 1 37 ALA MB 1 38 PHE HA . . 4.240 4.034 4.000 4.075 . 0 0 "[ . 1 . 2]" 1 99 1 37 ALA MB 1 38 PHE QD . . 3.780 3.333 3.154 3.563 . 0 0 "[ . 1 . 2]" 1 100 1 37 ALA MB 1 38 PHE QE . . 4.860 4.611 4.340 4.871 0.011 19 0 "[ . 1 . 2]" 1 101 1 37 ALA MB 1 73 ILE MD . . 2.960 2.392 2.131 2.723 . 0 0 "[ . 1 . 2]" 1 102 1 37 ALA MB 1 73 ILE MG . . 5.030 4.770 4.467 5.037 0.007 7 0 "[ . 1 . 2]" 1 103 1 38 PHE H 1 38 PHE HB3 . . 3.810 3.509 3.448 3.564 . 0 0 "[ . 1 . 2]" 1 104 1 38 PHE H 1 38 PHE QD . . 3.580 2.637 2.457 2.926 . 0 0 "[ . 1 . 2]" 1 105 1 38 PHE H 1 39 LYS H . . 3.580 2.694 2.618 2.801 . 0 0 "[ . 1 . 2]" 1 106 1 38 PHE H 1 40 LEU QD . . 5.500 5.139 4.860 5.339 . 0 0 "[ . 1 . 2]" 1 107 1 38 PHE H 1 45 LEU QD . . 5.340 4.367 4.053 4.681 . 0 0 "[ . 1 . 2]" 1 108 1 38 PHE H 1 69 LEU QD . . 4.460 3.397 3.160 3.575 . 0 0 "[ . 1 . 2]" 1 109 1 38 PHE H 1 73 ILE MD . . 4.540 3.274 2.988 3.468 . 0 0 "[ . 1 . 2]" 1 110 1 38 PHE HA 1 38 PHE QD . . 3.810 3.029 2.773 3.117 . 0 0 "[ . 1 . 2]" 1 111 1 38 PHE HA 1 41 ARG HB3 . . 4.410 4.176 2.847 4.438 0.028 1 0 "[ . 1 . 2]" 1 112 1 38 PHE HA 1 43 LEU QD . . 4.560 3.229 2.852 3.722 . 0 0 "[ . 1 . 2]" 1 113 1 38 PHE HA 1 69 LEU QD . . 5.110 4.412 3.983 4.924 . 0 0 "[ . 1 . 2]" 1 114 1 38 PHE HA 1 73 ILE MD . . 3.590 2.501 2.304 2.690 . 0 0 "[ . 1 . 2]" 1 115 1 38 PHE HA 1 73 ILE MG . . 4.250 3.645 3.301 3.939 . 0 0 "[ . 1 . 2]" 1 116 1 38 PHE HB3 1 39 LYS HA . . 4.870 4.262 4.159 4.355 . 0 0 "[ . 1 . 2]" 1 117 1 38 PHE HB3 1 43 LEU HB3 . . 4.290 3.351 3.060 3.575 . 0 0 "[ . 1 . 2]" 1 118 1 38 PHE HB3 1 43 LEU QD . . 5.270 3.960 3.681 4.356 . 0 0 "[ . 1 . 2]" 1 119 1 38 PHE HB3 1 45 LEU QD . . 4.830 3.683 3.332 4.161 . 0 0 "[ . 1 . 2]" 1 120 1 38 PHE QD 1 43 LEU HB3 . . 3.580 2.573 2.415 2.984 . 0 0 "[ . 1 . 2]" 1 121 1 38 PHE QD 1 43 LEU QD . . 3.880 3.156 2.548 3.530 . 0 0 "[ . 1 . 2]" 1 122 1 38 PHE QD 1 43 LEU HG . . 4.330 2.645 2.384 3.036 . 0 0 "[ . 1 . 2]" 1 123 1 38 PHE QD 1 45 LEU MD1 . . 4.120 3.419 3.053 3.702 . 0 0 "[ . 1 . 2]" 1 124 1 38 PHE QD 1 45 LEU QD . . 3.490 2.637 2.426 2.776 . 0 0 "[ . 1 . 2]" 1 125 1 38 PHE QD 1 45 LEU MD2 . . 4.120 2.758 2.464 2.996 . 0 0 "[ . 1 . 2]" 1 126 1 38 PHE QD 1 45 LEU HG . . 5.500 5.297 5.150 5.540 0.040 1 0 "[ . 1 . 2]" 1 127 1 38 PHE QD 1 53 LEU QD . . 4.650 3.426 3.174 3.756 . 0 0 "[ . 1 . 2]" 1 128 1 38 PHE QD 1 69 LEU MD1 . . 4.320 3.114 2.848 3.419 . 0 0 "[ . 1 . 2]" 1 129 1 38 PHE QD 1 69 LEU MD2 . . 4.320 2.491 2.165 3.028 . 0 0 "[ . 1 . 2]" 1 130 1 38 PHE QD 1 69 LEU HG . . 4.610 4.136 3.506 4.614 0.004 1 0 "[ . 1 . 2]" 1 131 1 38 PHE QD 1 72 ILE MD . . 5.500 5.524 5.502 5.548 0.048 13 0 "[ . 1 . 2]" 1 132 1 38 PHE QD 1 72 ILE MG . . 5.210 5.053 4.868 5.218 0.008 7 0 "[ . 1 . 2]" 1 133 1 38 PHE QD 1 73 ILE MD . . 4.240 3.050 2.804 3.383 . 0 0 "[ . 1 . 2]" 1 134 1 38 PHE QD 1 73 ILE HG13 . . 4.580 4.074 3.762 4.416 . 0 0 "[ . 1 . 2]" 1 135 1 38 PHE QD 1 73 ILE MG . . 4.520 4.046 3.858 4.302 . 0 0 "[ . 1 . 2]" 1 136 1 38 PHE QD 1 76 VAL MG1 . . 5.060 4.030 3.796 4.366 . 0 0 "[ . 1 . 2]" 1 137 1 38 PHE QD 1 86 ILE MD . . 4.840 4.316 4.099 4.668 . 0 0 "[ . 1 . 2]" 1 138 1 38 PHE QD 1 86 ILE HG13 . . 4.710 2.879 2.640 3.377 . 0 0 "[ . 1 . 2]" 1 139 1 38 PHE QE 1 43 LEU QD . . 4.500 4.057 3.757 4.230 . 0 0 "[ . 1 . 2]" 1 140 1 38 PHE QE 1 43 LEU HG . . 4.390 3.540 3.256 3.766 . 0 0 "[ . 1 . 2]" 1 141 1 38 PHE QE 1 45 LEU MD1 . . 4.100 3.052 2.815 3.358 . 0 0 "[ . 1 . 2]" 1 142 1 38 PHE QE 1 45 LEU QD . . 3.580 2.715 2.447 2.861 . 0 0 "[ . 1 . 2]" 1 143 1 38 PHE QE 1 45 LEU MD2 . . 4.100 3.079 2.575 3.469 . 0 0 "[ . 1 . 2]" 1 144 1 38 PHE QE 1 53 LEU QD . . 3.750 2.214 2.083 2.384 . 0 0 "[ . 1 . 2]" 1 145 1 38 PHE QE 1 69 LEU MD1 . . 3.660 2.376 2.037 3.077 . 0 0 "[ . 1 . 2]" 1 146 1 38 PHE QE 1 69 LEU QD . . 3.000 2.153 2.023 2.248 . 0 0 "[ . 1 . 2]" 1 147 1 38 PHE QE 1 69 LEU MD2 . . 3.660 2.829 2.304 3.664 0.004 13 0 "[ . 1 . 2]" 1 148 1 38 PHE QE 1 72 ILE HB . . 4.930 3.726 3.453 4.065 . 0 0 "[ . 1 . 2]" 1 149 1 38 PHE QE 1 72 ILE MG . . 3.610 3.272 3.032 3.470 . 0 0 "[ . 1 . 2]" 1 150 1 38 PHE QE 1 73 ILE HA . . 4.280 3.500 3.059 3.718 . 0 0 "[ . 1 . 2]" 1 151 1 38 PHE QE 1 73 ILE MD . . 4.420 3.627 3.399 3.969 . 0 0 "[ . 1 . 2]" 1 152 1 38 PHE QE 1 73 ILE HG13 . . 4.770 3.352 2.980 3.759 . 0 0 "[ . 1 . 2]" 1 153 1 38 PHE QE 1 73 ILE MG . . 4.290 4.026 3.863 4.213 . 0 0 "[ . 1 . 2]" 1 154 1 38 PHE QE 1 76 VAL HB . . 4.480 3.540 2.992 3.979 . 0 0 "[ . 1 . 2]" 1 155 1 38 PHE QE 1 76 VAL MG1 . . 3.750 2.591 2.282 2.986 . 0 0 "[ . 1 . 2]" 1 156 1 38 PHE QE 1 76 VAL MG2 . . 3.310 2.382 2.261 2.518 . 0 0 "[ . 1 . 2]" 1 157 1 38 PHE QE 1 86 ILE MD . . 4.670 3.915 3.674 4.301 . 0 0 "[ . 1 . 2]" 1 158 1 38 PHE QE 1 86 ILE HG13 . . 4.710 2.623 2.434 2.894 . 0 0 "[ . 1 . 2]" 1 159 1 38 PHE QE 1 86 ILE MG . . 4.310 2.470 2.317 3.019 . 0 0 "[ . 1 . 2]" 1 160 1 38 PHE HZ 1 45 LEU QD . . 4.770 3.206 3.013 3.412 . 0 0 "[ . 1 . 2]" 1 161 1 38 PHE HZ 1 53 LEU QD . . 4.780 3.016 2.811 3.364 . 0 0 "[ . 1 . 2]" 1 162 1 38 PHE HZ 1 69 LEU QD . . 4.330 3.855 3.490 4.047 . 0 0 "[ . 1 . 2]" 1 163 1 38 PHE HZ 1 72 ILE HB . . 4.890 3.660 3.432 4.073 . 0 0 "[ . 1 . 2]" 1 164 1 38 PHE HZ 1 72 ILE MG . . 3.100 2.379 2.217 2.557 . 0 0 "[ . 1 . 2]" 1 165 1 38 PHE HZ 1 73 ILE HA . . 4.470 3.695 3.349 4.138 . 0 0 "[ . 1 . 2]" 1 166 1 38 PHE HZ 1 73 ILE MG . . 5.210 4.948 4.709 5.215 0.005 1 0 "[ . 1 . 2]" 1 167 1 38 PHE HZ 1 76 VAL MG2 . . 3.580 2.704 2.417 3.154 . 0 0 "[ . 1 . 2]" 1 168 1 38 PHE HZ 1 91 VAL HA . . 5.500 4.930 4.591 5.141 . 0 0 "[ . 1 . 2]" 1 169 1 38 PHE HZ 1 91 VAL QG . . 3.600 3.006 2.614 3.243 . 0 0 "[ . 1 . 2]" 1 170 1 38 PHE HZ 1 94 ALA MB . . 4.870 4.459 4.256 4.729 . 0 0 "[ . 1 . 2]" 1 171 1 39 LYS H 1 40 LEU H . . 3.550 2.941 2.862 3.032 . 0 0 "[ . 1 . 2]" 1 172 1 39 LYS HA 1 41 ARG H . . 4.890 4.293 3.948 4.458 . 0 0 "[ . 1 . 2]" 1 173 1 39 LYS HA 1 43 LEU H . . 4.060 3.420 3.220 3.835 . 0 0 "[ . 1 . 2]" 1 174 1 40 LEU H 1 40 LEU HB3 . . 3.740 3.204 2.470 3.593 . 0 0 "[ . 1 . 2]" 1 175 1 40 LEU H 1 40 LEU QD . . 4.150 3.200 3.093 3.266 . 0 0 "[ . 1 . 2]" 1 176 1 40 LEU H 1 40 LEU HG . . 3.430 2.499 2.298 2.597 . 0 0 "[ . 1 . 2]" 1 177 1 40 LEU H 1 41 ARG H . . 3.640 2.791 2.719 2.856 . 0 0 "[ . 1 . 2]" 1 178 1 40 LEU HA 1 40 LEU QD . . 3.410 2.581 2.115 3.427 0.017 3 0 "[ . 1 . 2]" 1 179 1 40 LEU HA 1 40 LEU HG . . 3.750 3.181 2.829 3.764 0.014 3 0 "[ . 1 . 2]" 1 180 1 40 LEU HB3 1 41 ARG H . . 4.250 3.841 3.542 4.265 0.015 11 0 "[ . 1 . 2]" 1 181 1 40 LEU QD 1 41 ARG H . . 4.880 3.799 2.752 4.347 . 0 0 "[ . 1 . 2]" 1 182 1 40 LEU HG 1 41 ARG H . . 4.750 4.062 2.684 4.762 0.012 1 0 "[ . 1 . 2]" 1 183 1 41 ARG H 1 41 ARG HB3 . . 4.150 3.405 2.504 3.594 . 0 0 "[ . 1 . 2]" 1 184 1 41 ARG H 1 41 ARG HD3 . . 5.050 3.534 2.913 4.763 . 0 0 "[ . 1 . 2]" 1 185 1 41 ARG H 1 41 ARG HG3 . . 4.430 4.101 3.662 4.476 0.046 11 0 "[ . 1 . 2]" 1 186 1 41 ARG H 1 42 GLY H . . 3.570 2.543 2.414 2.621 . 0 0 "[ . 1 . 2]" 1 187 1 41 ARG H 1 42 GLY HA3 . . 5.500 5.285 5.152 5.369 . 0 0 "[ . 1 . 2]" 1 188 1 41 ARG H 1 43 LEU H . . 4.530 3.833 3.556 3.983 . 0 0 "[ . 1 . 2]" 1 189 1 41 ARG H 1 43 LEU QD . . 5.500 4.019 3.715 4.377 . 0 0 "[ . 1 . 2]" 1 190 1 41 ARG H 1 73 ILE MG . . 5.010 4.805 4.413 5.059 0.049 11 0 "[ . 1 . 2]" 1 191 1 41 ARG HA 1 41 ARG HD3 . . 3.760 3.451 2.163 3.842 0.082 4 0 "[ . 1 . 2]" 1 192 1 41 ARG HA 1 41 ARG HG3 . . 3.790 2.681 2.239 3.760 . 0 0 "[ . 1 . 2]" 1 193 1 41 ARG HB3 1 43 LEU QD . . 4.160 2.355 2.143 2.724 . 0 0 "[ . 1 . 2]" 1 194 1 41 ARG HB3 1 73 ILE MD . . 5.180 3.979 3.382 4.617 . 0 0 "[ . 1 . 2]" 1 195 1 41 ARG HB3 1 73 ILE MG . . 4.450 3.048 2.510 3.574 . 0 0 "[ . 1 . 2]" 1 196 1 41 ARG HD3 1 73 ILE MD . . 4.630 3.131 2.362 4.662 0.032 8 0 "[ . 1 . 2]" 1 197 1 41 ARG HD3 1 73 ILE MG . . 4.420 3.286 2.420 4.324 . 0 0 "[ . 1 . 2]" 1 198 1 41 ARG HE 1 73 ILE MG . . 4.580 3.773 2.595 4.589 0.009 12 0 "[ . 1 . 2]" 1 199 1 41 ARG HG3 1 73 ILE MD . . 4.720 4.128 2.103 4.767 0.047 2 0 "[ . 1 . 2]" 1 200 1 41 ARG HG3 1 73 ILE MG . . 4.050 3.363 2.411 3.705 . 0 0 "[ . 1 . 2]" 1 201 1 42 GLY H 1 43 LEU H . . 3.840 2.348 2.021 2.584 . 0 0 "[ . 1 . 2]" 1 202 1 42 GLY HA3 1 43 LEU QD . . 4.920 3.374 3.146 3.680 . 0 0 "[ . 1 . 2]" 1 203 1 43 LEU H 1 43 LEU QD . . 4.300 2.343 2.226 2.484 . 0 0 "[ . 1 . 2]" 1 204 1 43 LEU H 1 43 LEU HG . . 4.190 4.157 4.092 4.204 0.014 3 0 "[ . 1 . 2]" 1 205 1 43 LEU HA 1 43 LEU QD . . 3.270 2.110 2.083 2.132 . 0 0 "[ . 1 . 2]" 1 206 1 43 LEU HA 1 44 LEU H . . 3.300 2.316 2.242 2.430 . 0 0 "[ . 1 . 2]" 1 207 1 43 LEU HB3 1 44 LEU H . . 4.620 2.385 2.179 2.479 . 0 0 "[ . 1 . 2]" 1 208 1 43 LEU QD 1 44 LEU H . . 3.950 3.156 3.072 3.235 . 0 0 "[ . 1 . 2]" 1 209 1 43 LEU QD 1 73 ILE MG . . 3.150 2.716 2.366 3.156 0.006 2 0 "[ . 1 . 2]" 1 210 1 43 LEU QD 1 77 GLU HG3 . . 4.860 3.939 3.315 4.749 . 0 0 "[ . 1 . 2]" 1 211 1 43 LEU QD 1 84 ASN HA . . 3.550 2.443 2.154 2.599 . 0 0 "[ . 1 . 2]" 1 212 1 43 LEU QD 1 84 ASN HB3 . . 3.880 3.486 3.257 3.617 . 0 0 "[ . 1 . 2]" 1 213 1 43 LEU QD 1 85 MET HA . . 4.430 4.461 4.449 4.485 0.055 9 0 "[ . 1 . 2]" 1 214 1 43 LEU HG 1 73 ILE HA . . 5.500 5.155 4.710 5.415 . 0 0 "[ . 1 . 2]" 1 215 1 43 LEU HG 1 76 VAL HB . . 4.880 4.684 4.379 4.901 0.021 9 0 "[ . 1 . 2]" 1 216 1 43 LEU HG 1 76 VAL MG1 . . 4.320 3.221 3.006 3.538 . 0 0 "[ . 1 . 2]" 1 217 1 43 LEU HG 1 86 ILE MD . . 4.380 2.946 2.598 3.235 . 0 0 "[ . 1 . 2]" 1 218 1 44 LEU H 1 44 LEU HB3 . . 3.900 3.768 3.739 3.809 . 0 0 "[ . 1 . 2]" 1 219 1 44 LEU H 1 44 LEU QD . . 4.370 3.644 3.554 3.749 . 0 0 "[ . 1 . 2]" 1 220 1 44 LEU H 1 44 LEU HG . . 3.960 3.233 3.075 3.426 . 0 0 "[ . 1 . 2]" 1 221 1 44 LEU H 1 85 MET ME . . 5.150 4.605 4.024 5.063 . 0 0 "[ . 1 . 2]" 1 222 1 44 LEU H 1 86 ILE H . . 4.650 3.446 3.063 3.610 . 0 0 "[ . 1 . 2]" 1 223 1 44 LEU HA 1 44 LEU QD . . 3.240 2.130 2.110 2.149 . 0 0 "[ . 1 . 2]" 1 224 1 44 LEU HA 1 44 LEU HG . . 4.000 3.053 3.020 3.127 . 0 0 "[ . 1 . 2]" 1 225 1 44 LEU HA 1 45 LEU H . . 3.100 2.300 2.170 2.573 . 0 0 "[ . 1 . 2]" 1 226 1 44 LEU HA 1 85 MET ME . . 5.320 4.399 4.065 4.815 . 0 0 "[ . 1 . 2]" 1 227 1 44 LEU HB3 1 85 MET HA . . 4.210 3.654 3.451 3.862 . 0 0 "[ . 1 . 2]" 1 228 1 44 LEU HB3 1 86 ILE H . . 5.230 4.689 4.437 5.239 0.009 20 0 "[ . 1 . 2]" 1 229 1 44 LEU QD 1 45 LEU H . . 4.530 3.904 3.335 4.208 . 0 0 "[ . 1 . 2]" 1 230 1 44 LEU QD 1 84 ASN HD21 . . 4.400 3.509 3.346 3.658 . 0 0 "[ . 1 . 2]" 1 231 1 44 LEU QD 1 84 ASN QD . . 3.690 2.367 2.238 2.497 . 0 0 "[ . 1 . 2]" 1 232 1 44 LEU QD 1 84 ASN HD22 . . 4.400 2.407 2.273 2.544 . 0 0 "[ . 1 . 2]" 1 233 1 44 LEU QD 1 85 MET H . . 5.160 4.636 4.332 5.014 . 0 0 "[ . 1 . 2]" 1 234 1 44 LEU QD 1 85 MET HA . . 4.250 3.866 3.711 4.051 . 0 0 "[ . 1 . 2]" 1 235 1 44 LEU QD 1 85 MET ME . . 2.980 2.271 2.094 2.500 . 0 0 "[ . 1 . 2]" 1 236 1 44 LEU QD 1 86 ILE H . . 5.210 5.109 4.981 5.231 0.021 5 0 "[ . 1 . 2]" 1 237 1 44 LEU HG 1 45 LEU H . . 5.220 5.089 4.960 5.159 . 0 0 "[ . 1 . 2]" 1 238 1 44 LEU HG 1 84 ASN HD21 . . 4.870 3.050 2.887 3.212 . 0 0 "[ . 1 . 2]" 1 239 1 44 LEU HG 1 84 ASN QD . . 4.230 2.407 2.339 2.622 . 0 0 "[ . 1 . 2]" 1 240 1 44 LEU HG 1 84 ASN HD22 . . 4.870 2.529 2.424 2.853 . 0 0 "[ . 1 . 2]" 1 241 1 44 LEU HG 1 85 MET HA . . 4.930 4.634 4.419 4.940 0.010 2 0 "[ . 1 . 2]" 1 242 1 45 LEU H 1 45 LEU HB3 . . 4.090 2.483 2.367 2.765 . 0 0 "[ . 1 . 2]" 1 243 1 45 LEU H 1 45 LEU MD1 . . 4.390 4.086 3.996 4.393 0.003 1 0 "[ . 1 . 2]" 1 244 1 45 LEU H 1 45 LEU MD2 . . 4.390 4.180 4.104 4.419 0.029 1 0 "[ . 1 . 2]" 1 245 1 45 LEU H 1 45 LEU HG . . 4.760 4.480 4.420 4.686 . 0 0 "[ . 1 . 2]" 1 246 1 45 LEU HA 1 45 LEU MD1 . . 4.600 2.194 2.100 2.253 . 0 0 "[ . 1 . 2]" 1 247 1 45 LEU HA 1 45 LEU QD . . 3.250 2.182 2.091 2.240 . 0 0 "[ . 1 . 2]" 1 248 1 45 LEU HA 1 45 LEU MD2 . . 4.600 3.892 3.816 3.943 . 0 0 "[ . 1 . 2]" 1 249 1 45 LEU HA 1 45 LEU HG . . 3.730 3.071 2.983 3.193 . 0 0 "[ . 1 . 2]" 1 250 1 45 LEU HA 1 46 ARG H . . 3.190 2.144 2.095 2.188 . 0 0 "[ . 1 . 2]" 1 251 1 45 LEU HA 1 86 ILE H . . 3.860 2.944 2.739 3.100 . 0 0 "[ . 1 . 2]" 1 252 1 45 LEU HA 1 86 ILE HB . . 3.660 2.223 2.080 2.818 . 0 0 "[ . 1 . 2]" 1 253 1 45 LEU HA 1 86 ILE HG13 . . 5.020 4.407 4.219 5.046 0.026 6 0 "[ . 1 . 2]" 1 254 1 45 LEU HA 1 86 ILE MG . . 4.630 3.621 3.429 4.111 . 0 0 "[ . 1 . 2]" 1 255 1 45 LEU QD 1 46 ARG H . . 3.810 2.843 2.683 3.007 . 0 0 "[ . 1 . 2]" 1 256 1 45 LEU QD 1 49 ALA MB . . 3.060 1.995 1.926 2.039 . 0 0 "[ . 1 . 2]" 1 257 1 45 LEU QD 1 50 ILE HA . . 3.450 2.222 2.145 2.389 . 0 0 "[ . 1 . 2]" 1 258 1 45 LEU QD 1 50 ILE HB . . 3.650 2.662 2.259 3.272 . 0 0 "[ . 1 . 2]" 1 259 1 45 LEU QD 1 50 ILE MD . . 3.220 2.325 1.956 3.245 0.025 13 0 "[ . 1 . 2]" 1 260 1 45 LEU QD 1 50 ILE MG . . 4.370 3.780 3.582 4.069 . 0 0 "[ . 1 . 2]" 1 261 1 45 LEU QD 1 53 LEU QD . . 3.490 2.001 1.904 2.235 . 0 0 "[ . 1 . 2]" 1 262 1 45 LEU QD 1 69 LEU QD . . 3.890 3.383 2.954 3.633 . 0 0 "[ . 1 . 2]" 1 263 1 45 LEU QD 1 86 ILE H . . 4.410 4.127 3.627 4.345 . 0 0 "[ . 1 . 2]" 1 264 1 45 LEU QD 1 86 ILE HA . . 4.840 4.456 4.162 4.679 . 0 0 "[ . 1 . 2]" 1 265 1 45 LEU QD 1 86 ILE HB . . 3.170 2.379 2.131 2.601 . 0 0 "[ . 1 . 2]" 1 266 1 45 LEU QD 1 86 ILE MD . . 4.760 4.438 4.239 4.584 . 0 0 "[ . 1 . 2]" 1 267 1 45 LEU QD 1 86 ILE HG13 . . 4.550 3.738 3.505 3.997 . 0 0 "[ . 1 . 2]" 1 268 1 45 LEU QD 1 86 ILE MG . . 3.580 2.340 2.197 2.499 . 0 0 "[ . 1 . 2]" 1 269 1 45 LEU QD 1 88 ARG HA . . 5.440 4.625 4.344 4.901 . 0 0 "[ . 1 . 2]" 1 270 1 45 LEU QD 1 91 VAL QG . . 3.110 2.097 2.020 2.392 . 0 0 "[ . 1 . 2]" 1 271 1 45 LEU MD1 1 49 ALA MB . . 4.250 2.008 1.936 2.057 . 0 0 "[ . 1 . 2]" 1 272 1 45 LEU MD1 1 50 ILE HA . . 3.980 3.650 3.396 3.982 0.002 6 0 "[ . 1 . 2]" 1 273 1 45 LEU MD1 1 50 ILE HB . . 4.830 4.215 3.955 4.405 . 0 0 "[ . 1 . 2]" 1 274 1 45 LEU MD1 1 50 ILE MG . . 5.280 4.905 4.723 5.167 . 0 0 "[ . 1 . 2]" 1 275 1 45 LEU MD1 1 53 LEU QD . . 4.060 2.679 2.450 3.236 . 0 0 "[ . 1 . 2]" 1 276 1 45 LEU MD1 1 86 ILE MG . . 4.800 2.349 2.206 2.512 . 0 0 "[ . 1 . 2]" 1 277 1 45 LEU MD1 1 91 VAL MG1 . . 5.410 3.232 2.122 4.019 . 0 0 "[ . 1 . 2]" 1 278 1 45 LEU MD1 1 91 VAL MG2 . . 5.410 2.419 2.054 3.346 . 0 0 "[ . 1 . 2]" 1 279 1 45 LEU MD2 1 49 ALA MB . . 4.250 3.433 3.212 3.634 . 0 0 "[ . 1 . 2]" 1 280 1 45 LEU MD2 1 50 ILE HA . . 3.980 2.242 2.160 2.412 . 0 0 "[ . 1 . 2]" 1 281 1 45 LEU MD2 1 50 ILE HB . . 4.830 2.697 2.268 3.402 . 0 0 "[ . 1 . 2]" 1 282 1 45 LEU MD2 1 50 ILE MG . . 5.280 3.933 3.683 4.258 . 0 0 "[ . 1 . 2]" 1 283 1 45 LEU MD2 1 53 LEU QD . . 4.060 2.069 1.970 2.278 . 0 0 "[ . 1 . 2]" 1 284 1 45 LEU MD2 1 86 ILE MG . . 4.800 4.354 3.970 4.604 . 0 0 "[ . 1 . 2]" 1 285 1 45 LEU MD2 1 91 VAL MG1 . . 5.410 4.157 3.428 4.571 . 0 0 "[ . 1 . 2]" 1 286 1 45 LEU MD2 1 91 VAL MG2 . . 5.410 3.871 3.259 4.698 . 0 0 "[ . 1 . 2]" 1 287 1 45 LEU HG 1 49 ALA H . . 5.500 4.420 3.975 4.646 . 0 0 "[ . 1 . 2]" 1 288 1 45 LEU HG 1 86 ILE HB . . 4.660 4.591 4.435 4.684 0.024 8 0 "[ . 1 . 2]" 1 289 1 46 ARG H 1 46 ARG HB3 . . 3.930 3.508 2.291 3.621 . 0 0 "[ . 1 . 2]" 1 290 1 46 ARG H 1 46 ARG HD3 . . 5.280 4.576 4.136 4.959 . 0 0 "[ . 1 . 2]" 1 291 1 46 ARG H 1 46 ARG HG3 . . 4.180 3.705 3.437 4.240 0.060 6 0 "[ . 1 . 2]" 1 292 1 46 ARG H 1 49 ALA MB . . 4.030 2.695 2.488 2.975 . 0 0 "[ . 1 . 2]" 1 293 1 46 ARG H 1 85 MET ME . . 5.290 5.076 4.365 5.304 0.014 8 0 "[ . 1 . 2]" 1 294 1 46 ARG H 1 86 ILE H . . 4.480 3.489 3.201 4.179 . 0 0 "[ . 1 . 2]" 1 295 1 46 ARG H 1 86 ILE HB . . 4.510 3.585 3.372 4.103 . 0 0 "[ . 1 . 2]" 1 296 1 46 ARG H 1 91 VAL QG . . 5.440 4.856 4.655 5.318 . 0 0 "[ . 1 . 2]" 1 297 1 46 ARG HA 1 46 ARG HD3 . . 3.780 3.616 2.247 3.800 0.020 3 0 "[ . 1 . 2]" 1 298 1 46 ARG HA 1 85 MET ME . . 4.510 4.381 3.615 4.529 0.019 20 0 "[ . 1 . 2]" 1 299 1 46 ARG HB3 1 49 ALA H . . 4.380 3.353 2.710 3.816 . 0 0 "[ . 1 . 2]" 1 300 1 46 ARG HB3 1 49 ALA MB . . 4.320 3.681 2.822 4.098 . 0 0 "[ . 1 . 2]" 1 301 1 46 ARG HD3 1 85 MET ME . . 4.420 3.260 2.229 4.428 0.008 1 0 "[ . 1 . 2]" 1 302 1 47 GLY HA3 1 50 ILE H . . 5.150 4.916 4.727 5.006 . 0 0 "[ . 1 . 2]" 1 303 1 47 GLY HA3 1 50 ILE HB . . 5.500 5.550 4.949 5.632 0.132 1 0 "[ . 1 . 2]" 1 304 1 47 GLY HA3 1 50 ILE MG . . 4.200 3.482 3.383 3.734 . 0 0 "[ . 1 . 2]" 1 305 1 48 GLU HA 1 49 ALA MB . . 5.480 4.956 4.881 4.996 . 0 0 "[ . 1 . 2]" 1 306 1 48 GLU HA 1 51 LYS H . . 4.070 3.898 3.472 4.101 0.031 9 0 "[ . 1 . 2]" 1 307 1 49 ALA H 1 49 ALA MB . . 3.180 2.196 2.126 2.265 . 0 0 "[ . 1 . 2]" 1 308 1 49 ALA H 1 50 ILE H . . 3.490 2.553 2.314 2.698 . 0 0 "[ . 1 . 2]" 1 309 1 49 ALA H 1 50 ILE HA . . 5.370 5.198 4.983 5.320 . 0 0 "[ . 1 . 2]" 1 310 1 49 ALA H 1 50 ILE HB . . 4.970 4.852 4.282 4.997 0.027 11 0 "[ . 1 . 2]" 1 311 1 49 ALA H 1 50 ILE MG . . 4.620 3.826 3.570 4.328 . 0 0 "[ . 1 . 2]" 1 312 1 49 ALA HA 1 52 TYR H . . 3.910 3.292 3.062 3.439 . 0 0 "[ . 1 . 2]" 1 313 1 49 ALA HA 1 52 TYR HB3 . . 4.020 2.684 2.538 2.806 . 0 0 "[ . 1 . 2]" 1 314 1 49 ALA HA 1 52 TYR QD . . 4.590 4.409 4.202 4.584 . 0 0 "[ . 1 . 2]" 1 315 1 49 ALA HA 1 53 LEU H . . 4.600 4.161 4.043 4.331 . 0 0 "[ . 1 . 2]" 1 316 1 49 ALA HA 1 88 ARG H . . 5.020 4.065 3.777 4.446 . 0 0 "[ . 1 . 2]" 1 317 1 49 ALA HA 1 88 ARG HA . . 3.370 2.409 2.266 2.581 . 0 0 "[ . 1 . 2]" 1 318 1 49 ALA HA 1 91 VAL HB . . 5.310 4.079 3.645 5.109 . 0 0 "[ . 1 . 2]" 1 319 1 49 ALA HA 1 91 VAL QG . . 3.720 3.115 2.260 3.491 . 0 0 "[ . 1 . 2]" 1 320 1 49 ALA MB 1 50 ILE H . . 3.240 2.494 2.421 2.581 . 0 0 "[ . 1 . 2]" 1 321 1 49 ALA MB 1 51 LYS H . . 4.570 4.590 4.488 4.608 0.038 9 0 "[ . 1 . 2]" 1 322 1 49 ALA MB 1 52 TYR H . . 4.910 4.509 4.356 4.606 . 0 0 "[ . 1 . 2]" 1 323 1 49 ALA MB 1 52 TYR HB3 . . 4.790 4.002 3.818 4.100 . 0 0 "[ . 1 . 2]" 1 324 1 49 ALA MB 1 53 LEU H . . 4.980 4.639 4.511 4.822 . 0 0 "[ . 1 . 2]" 1 325 1 49 ALA MB 1 86 ILE HA . . 5.500 4.986 4.809 5.238 . 0 0 "[ . 1 . 2]" 1 326 1 49 ALA MB 1 86 ILE HB . . 4.330 4.030 3.871 4.227 . 0 0 "[ . 1 . 2]" 1 327 1 49 ALA MB 1 86 ILE MG . . 4.000 3.086 2.909 3.319 . 0 0 "[ . 1 . 2]" 1 328 1 49 ALA MB 1 87 GLU HA . . 3.630 2.682 2.336 2.893 . 0 0 "[ . 1 . 2]" 1 329 1 49 ALA MB 1 88 ARG H . . 4.180 2.792 2.511 3.105 . 0 0 "[ . 1 . 2]" 1 330 1 49 ALA MB 1 88 ARG HA . . 3.420 2.604 2.440 2.762 . 0 0 "[ . 1 . 2]" 1 331 1 49 ALA MB 1 91 VAL HB . . 4.240 3.600 3.280 4.252 0.012 18 0 "[ . 1 . 2]" 1 332 1 49 ALA MB 1 91 VAL QG . . 3.000 2.102 2.070 2.150 . 0 0 "[ . 1 . 2]" 1 333 1 50 ILE H 1 50 ILE HB . . 3.580 2.438 2.178 2.522 . 0 0 "[ . 1 . 2]" 1 334 1 50 ILE H 1 50 ILE MD . . 4.470 4.237 4.071 4.423 . 0 0 "[ . 1 . 2]" 1 335 1 50 ILE H 1 50 ILE HG13 . . 4.680 4.590 4.560 4.646 . 0 0 "[ . 1 . 2]" 1 336 1 50 ILE H 1 50 ILE MG . . 3.050 2.266 2.106 2.886 . 0 0 "[ . 1 . 2]" 1 337 1 50 ILE H 1 51 LYS H . . 3.850 2.806 2.701 2.868 . 0 0 "[ . 1 . 2]" 1 338 1 50 ILE H 1 52 TYR H . . 4.910 4.193 4.089 4.292 . 0 0 "[ . 1 . 2]" 1 339 1 50 ILE HA 1 50 ILE MD . . 3.100 2.215 2.029 2.581 . 0 0 "[ . 1 . 2]" 1 340 1 50 ILE HA 1 50 ILE MG . . 3.300 3.263 3.230 3.272 . 0 0 "[ . 1 . 2]" 1 341 1 50 ILE HA 1 53 LEU H . . 4.790 3.667 3.426 3.793 . 0 0 "[ . 1 . 2]" 1 342 1 50 ILE HA 1 53 LEU QD . . 3.820 2.686 2.428 2.880 . 0 0 "[ . 1 . 2]" 1 343 1 50 ILE HA 1 53 LEU HG . . 3.830 2.591 2.343 2.873 . 0 0 "[ . 1 . 2]" 1 344 1 50 ILE HB 1 50 ILE MD . . 3.240 2.743 2.458 3.275 0.035 15 0 "[ . 1 . 2]" 1 345 1 50 ILE HB 1 51 LYS H . . 4.130 3.883 3.641 4.000 . 0 0 "[ . 1 . 2]" 1 346 1 50 ILE MD 1 51 LYS H . . 4.660 4.400 3.878 4.709 0.049 20 0 "[ . 1 . 2]" 1 347 1 50 ILE MD 1 53 LEU H . . 5.290 4.638 4.398 4.799 . 0 0 "[ . 1 . 2]" 1 348 1 50 ILE MD 1 54 THR H . . 5.500 3.819 3.178 4.692 . 0 0 "[ . 1 . 2]" 1 349 1 50 ILE MG 1 51 LYS H . . 3.260 2.154 2.097 2.240 . 0 0 "[ . 1 . 2]" 1 350 1 50 ILE MG 1 51 LYS HA . . 3.740 3.499 3.250 3.579 . 0 0 "[ . 1 . 2]" 1 351 1 50 ILE MG 1 52 TYR H . . 4.700 4.432 4.326 4.530 . 0 0 "[ . 1 . 2]" 1 352 1 51 LYS H 1 51 LYS HB3 . . 3.790 2.496 2.308 2.620 . 0 0 "[ . 1 . 2]" 1 353 1 51 LYS H 1 51 LYS HG3 . . 4.980 4.254 3.434 4.474 . 0 0 "[ . 1 . 2]" 1 354 1 51 LYS H 1 52 TYR H . . 3.630 2.798 2.670 2.904 . 0 0 "[ . 1 . 2]" 1 355 1 51 LYS H 1 53 LEU H . . 4.840 4.628 4.469 4.808 . 0 0 "[ . 1 . 2]" 1 356 1 51 LYS H 1 54 THR MG . . 5.500 5.262 4.393 5.575 0.075 17 0 "[ . 1 . 2]" 1 357 1 51 LYS HA 1 54 THR H . . 4.140 3.545 3.303 3.825 . 0 0 "[ . 1 . 2]" 1 358 1 51 LYS HA 1 54 THR HB . . 3.630 2.639 2.102 3.638 0.008 4 0 "[ . 1 . 2]" 1 359 1 51 LYS HA 1 54 THR MG . . 3.860 3.071 2.123 3.490 . 0 0 "[ . 1 . 2]" 1 360 1 52 TYR H 1 52 TYR HB3 . . 3.400 2.527 2.487 2.580 . 0 0 "[ . 1 . 2]" 1 361 1 52 TYR H 1 52 TYR QD . . 4.670 4.203 4.183 4.223 . 0 0 "[ . 1 . 2]" 1 362 1 52 TYR H 1 53 LEU H . . 3.660 2.894 2.528 3.007 . 0 0 "[ . 1 . 2]" 1 363 1 52 TYR H 1 53 LEU HA . . 5.430 5.414 5.095 5.480 0.050 11 0 "[ . 1 . 2]" 1 364 1 52 TYR HA 1 52 TYR QD . . 3.470 2.868 2.562 3.031 . 0 0 "[ . 1 . 2]" 1 365 1 52 TYR HA 1 52 TYR QE . . 5.020 4.611 4.475 4.692 . 0 0 "[ . 1 . 2]" 1 366 1 52 TYR HA 1 55 GLU H . . 4.610 3.970 3.707 4.386 . 0 0 "[ . 1 . 2]" 1 367 1 52 TYR HB3 1 53 LEU H . . 4.080 2.459 2.351 2.533 . 0 0 "[ . 1 . 2]" 1 368 1 52 TYR HB3 1 88 ARG HA . . 4.740 3.854 3.634 4.068 . 0 0 "[ . 1 . 2]" 1 369 1 52 TYR HB3 1 91 VAL HB . . 5.500 3.794 3.513 4.125 . 0 0 "[ . 1 . 2]" 1 370 1 52 TYR HB3 1 91 VAL MG1 . . 5.500 3.547 3.161 4.256 . 0 0 "[ . 1 . 2]" 1 371 1 52 TYR HB3 1 91 VAL MG2 . . 5.500 3.689 2.217 4.288 . 0 0 "[ . 1 . 2]" 1 372 1 52 TYR QD 1 53 LEU H . . 4.080 3.082 2.935 3.251 . 0 0 "[ . 1 . 2]" 1 373 1 52 TYR QD 1 53 LEU HA . . 3.840 3.291 3.097 3.727 . 0 0 "[ . 1 . 2]" 1 374 1 52 TYR QD 1 53 LEU HB3 . . 5.110 2.992 2.747 3.304 . 0 0 "[ . 1 . 2]" 1 375 1 52 TYR QD 1 53 LEU QD . . 4.160 4.100 3.970 4.167 0.007 12 0 "[ . 1 . 2]" 1 376 1 52 TYR QD 1 53 LEU HG . . 4.470 4.396 4.101 4.502 0.032 20 0 "[ . 1 . 2]" 1 377 1 52 TYR QD 1 56 ALA MB . . 4.310 3.998 3.676 4.320 0.010 4 0 "[ . 1 . 2]" 1 378 1 52 TYR QD 1 88 ARG HD3 . . 4.980 4.650 4.426 4.981 0.001 7 0 "[ . 1 . 2]" 1 379 1 52 TYR QD 1 91 VAL HB . . 4.010 3.147 2.677 3.490 . 0 0 "[ . 1 . 2]" 1 380 1 52 TYR QD 1 91 VAL QG . . 3.050 2.190 2.085 2.405 . 0 0 "[ . 1 . 2]" 1 381 1 52 TYR QD 1 92 GLU HA . . 4.580 4.151 4.001 4.281 . 0 0 "[ . 1 . 2]" 1 382 1 52 TYR QD 1 95 VAL HB . . 4.640 4.403 4.180 4.646 0.006 7 0 "[ . 1 . 2]" 1 383 1 52 TYR QE 1 53 LEU HA . . 4.640 4.415 4.152 4.657 0.017 13 0 "[ . 1 . 2]" 1 384 1 52 TYR QE 1 56 ALA MB . . 4.460 3.749 3.264 4.304 . 0 0 "[ . 1 . 2]" 1 385 1 52 TYR QE 1 91 VAL HB . . 4.550 4.242 3.591 4.566 0.016 12 0 "[ . 1 . 2]" 1 386 1 52 TYR QE 1 91 VAL QG . . 3.400 2.907 2.526 3.441 0.041 5 0 "[ . 1 . 2]" 1 387 1 52 TYR QE 1 92 GLU HA . . 3.270 2.707 2.499 2.910 . 0 0 "[ . 1 . 2]" 1 388 1 52 TYR QE 1 92 GLU HG3 . . 4.210 2.902 2.636 3.659 . 0 0 "[ . 1 . 2]" 1 389 1 52 TYR QE 1 95 VAL HB . . 3.790 2.788 2.558 2.989 . 0 0 "[ . 1 . 2]" 1 390 1 52 TYR QE 1 95 VAL MG1 . . 3.770 2.283 2.167 2.390 . 0 0 "[ . 1 . 2]" 1 391 1 52 TYR QE 1 95 VAL MG2 . . 3.330 3.153 2.859 3.345 0.015 7 0 "[ . 1 . 2]" 1 392 1 53 LEU H 1 53 LEU QD . . 4.230 3.091 2.966 3.183 . 0 0 "[ . 1 . 2]" 1 393 1 53 LEU H 1 53 LEU HG . . 3.230 2.237 2.159 2.319 . 0 0 "[ . 1 . 2]" 1 394 1 53 LEU H 1 56 ALA MB . . 4.890 4.611 4.502 4.801 . 0 0 "[ . 1 . 2]" 1 395 1 53 LEU H 1 91 VAL MG1 . . 5.320 3.557 3.130 4.478 . 0 0 "[ . 1 . 2]" 1 396 1 53 LEU H 1 91 VAL QG . . 4.150 3.227 3.055 3.396 . 0 0 "[ . 1 . 2]" 1 397 1 53 LEU H 1 91 VAL MG2 . . 5.320 4.169 3.304 4.567 . 0 0 "[ . 1 . 2]" 1 398 1 53 LEU HA 1 53 LEU QD . . 3.420 3.413 3.389 3.428 0.008 11 0 "[ . 1 . 2]" 1 399 1 53 LEU HA 1 55 GLU H . . 4.690 4.071 3.814 4.244 . 0 0 "[ . 1 . 2]" 1 400 1 53 LEU HA 1 56 ALA H . . 3.990 2.853 2.745 3.034 . 0 0 "[ . 1 . 2]" 1 401 1 53 LEU HA 1 56 ALA HA . . 5.170 4.825 4.689 5.073 . 0 0 "[ . 1 . 2]" 1 402 1 53 LEU HA 1 56 ALA MB . . 3.140 2.180 2.109 2.359 . 0 0 "[ . 1 . 2]" 1 403 1 53 LEU HA 1 57 LEU H . . 4.570 4.111 3.871 4.506 . 0 0 "[ . 1 . 2]" 1 404 1 53 LEU HA 1 57 LEU QD . . 4.730 3.914 3.253 4.746 0.016 4 0 "[ . 1 . 2]" 1 405 1 53 LEU QD 1 54 THR H . . 5.010 2.554 2.418 2.751 . 0 0 "[ . 1 . 2]" 1 406 1 53 LEU HG 1 54 THR H . . 4.290 3.439 3.163 3.737 . 0 0 "[ . 1 . 2]" 1 407 1 54 THR H 1 54 THR HB . . 3.450 2.379 2.220 2.476 . 0 0 "[ . 1 . 2]" 1 408 1 54 THR H 1 54 THR MG . . 3.920 3.408 2.271 3.790 . 0 0 "[ . 1 . 2]" 1 409 1 54 THR H 1 55 GLU H . . 3.530 2.782 2.697 2.983 . 0 0 "[ . 1 . 2]" 1 410 1 54 THR HA 1 54 THR MG . . 3.340 2.792 2.544 3.262 . 0 0 "[ . 1 . 2]" 1 411 1 54 THR HA 1 57 LEU H . . 4.400 3.671 3.455 4.181 . 0 0 "[ . 1 . 2]" 1 412 1 54 THR HA 1 57 LEU QD . . 4.450 3.762 2.797 4.298 . 0 0 "[ . 1 . 2]" 1 413 1 54 THR HB 1 55 GLU H . . 3.990 3.113 2.607 4.007 0.017 8 0 "[ . 1 . 2]" 1 414 1 54 THR MG 1 55 GLU H . . 4.200 3.050 2.293 3.457 . 0 0 "[ . 1 . 2]" 1 415 1 54 THR MG 1 55 GLU HA . . 4.300 3.589 3.249 3.731 . 0 0 "[ . 1 . 2]" 1 416 1 54 THR MG 1 57 LEU H . . 5.500 4.999 4.770 5.295 . 0 0 "[ . 1 . 2]" 1 417 1 55 GLU H 1 55 GLU HB3 . . 3.780 3.540 2.878 3.631 . 0 0 "[ . 1 . 2]" 1 418 1 55 GLU H 1 55 GLU HG3 . . 4.140 2.899 2.380 3.772 . 0 0 "[ . 1 . 2]" 1 419 1 55 GLU H 1 56 ALA H . . 3.400 2.605 2.320 2.705 . 0 0 "[ . 1 . 2]" 1 420 1 55 GLU H 1 56 ALA MB . . 4.510 4.268 4.034 4.358 . 0 0 "[ . 1 . 2]" 1 421 1 55 GLU H 1 57 LEU H . . 4.520 4.094 3.879 4.305 . 0 0 "[ . 1 . 2]" 1 422 1 55 GLU HA 1 57 LEU H . . 4.570 4.034 3.709 4.576 0.006 10 0 "[ . 1 . 2]" 1 423 1 56 ALA H 1 56 ALA MB . . 3.010 2.220 2.202 2.248 . 0 0 "[ . 1 . 2]" 1 424 1 56 ALA H 1 57 LEU H . . 3.600 2.685 2.539 2.765 . 0 0 "[ . 1 . 2]" 1 425 1 56 ALA HA 1 57 LEU HA . . 5.080 4.707 4.668 4.782 . 0 0 "[ . 1 . 2]" 1 426 1 56 ALA HA 1 58 GLN H . . 4.570 4.121 3.945 4.516 . 0 0 "[ . 1 . 2]" 1 427 1 56 ALA MB 1 57 LEU H . . 3.770 2.941 2.583 3.140 . 0 0 "[ . 1 . 2]" 1 428 1 56 ALA MB 1 57 LEU HA . . 4.550 4.209 4.046 4.312 . 0 0 "[ . 1 . 2]" 1 429 1 57 LEU H 1 57 LEU HB3 . . 3.790 3.666 3.513 3.729 . 0 0 "[ . 1 . 2]" 1 430 1 57 LEU H 1 57 LEU MD1 . . 4.250 3.681 2.608 3.975 . 0 0 "[ . 1 . 2]" 1 431 1 57 LEU H 1 57 LEU QD . . 3.590 3.263 2.465 3.502 . 0 0 "[ . 1 . 2]" 1 432 1 57 LEU H 1 57 LEU MD2 . . 4.250 3.773 2.493 3.940 . 0 0 "[ . 1 . 2]" 1 433 1 57 LEU H 1 57 LEU HG . . 4.310 3.135 2.699 4.320 0.010 15 0 "[ . 1 . 2]" 1 434 1 57 LEU H 1 58 GLN H . . 3.470 2.426 2.226 2.659 . 0 0 "[ . 1 . 2]" 1 435 1 57 LEU H 1 59 SER H . . 5.110 4.844 4.453 5.118 0.008 15 0 "[ . 1 . 2]" 1 436 1 57 LEU HA 1 57 LEU MD1 . . 4.150 3.592 2.118 3.930 . 0 0 "[ . 1 . 2]" 1 437 1 57 LEU HA 1 57 LEU QD . . 2.980 2.202 2.062 2.402 . 0 0 "[ . 1 . 2]" 1 438 1 57 LEU HA 1 57 LEU MD2 . . 4.150 2.475 2.154 3.898 . 0 0 "[ . 1 . 2]" 1 439 1 57 LEU HA 1 57 LEU HG . . 4.250 3.078 2.649 3.733 . 0 0 "[ . 1 . 2]" 1 440 1 57 LEU HA 1 58 GLN HA . . 5.500 4.886 4.830 4.945 . 0 0 "[ . 1 . 2]" 1 441 1 57 LEU HA 1 60 ILE HB . . 4.370 2.865 2.365 3.040 . 0 0 "[ . 1 . 2]" 1 442 1 57 LEU HA 1 60 ILE MD . . 4.830 4.485 4.195 4.829 . 0 0 "[ . 1 . 2]" 1 443 1 57 LEU HA 1 60 ILE HG13 . . 4.190 3.032 2.720 3.388 . 0 0 "[ . 1 . 2]" 1 444 1 57 LEU HA 1 60 ILE MG . . 4.200 4.117 3.643 4.232 0.032 8 0 "[ . 1 . 2]" 1 445 1 57 LEU MD1 1 69 LEU HA . . 4.910 3.516 2.983 4.348 . 0 0 "[ . 1 . 2]" 1 446 1 57 LEU MD2 1 69 LEU HA . . 4.910 3.687 2.896 4.232 . 0 0 "[ . 1 . 2]" 1 447 1 58 GLN H 1 58 GLN HB3 . . 3.620 2.508 2.373 2.701 . 0 0 "[ . 1 . 2]" 1 448 1 58 GLN H 1 59 SER H . . 4.130 2.891 2.710 3.015 . 0 0 "[ . 1 . 2]" 1 449 1 58 GLN HA 1 60 ILE H . . 4.800 4.139 3.672 4.365 . 0 0 "[ . 1 . 2]" 1 450 1 58 GLN HB3 1 59 SER H . . 4.550 3.399 2.863 4.266 . 0 0 "[ . 1 . 2]" 1 451 1 59 SER H 1 60 ILE H . . 3.610 2.434 2.247 2.771 . 0 0 "[ . 1 . 2]" 1 452 1 60 ILE H 1 60 ILE HB . . 3.270 2.235 2.165 2.438 . 0 0 "[ . 1 . 2]" 1 453 1 60 ILE H 1 60 ILE MD . . 4.420 4.163 4.044 4.327 . 0 0 "[ . 1 . 2]" 1 454 1 60 ILE H 1 60 ILE HG13 . . 4.250 3.949 3.808 4.266 0.016 4 0 "[ . 1 . 2]" 1 455 1 60 ILE H 1 60 ILE MG . . 4.090 3.640 3.579 3.688 . 0 0 "[ . 1 . 2]" 1 456 1 60 ILE H 1 61 SER H . . 4.940 4.565 4.439 4.609 . 0 0 "[ . 1 . 2]" 1 457 1 60 ILE HA 1 60 ILE MD . . 3.320 2.140 2.113 2.189 . 0 0 "[ . 1 . 2]" 1 458 1 60 ILE HA 1 60 ILE HG13 . . 3.940 3.634 3.599 3.661 . 0 0 "[ . 1 . 2]" 1 459 1 60 ILE HA 1 60 ILE MG . . 3.170 2.781 2.738 2.855 . 0 0 "[ . 1 . 2]" 1 460 1 60 ILE HA 1 61 SER H . . 2.820 2.134 2.098 2.199 . 0 0 "[ . 1 . 2]" 1 461 1 60 ILE HB 1 60 ILE MD . . 3.270 3.277 3.269 3.283 0.013 10 0 "[ . 1 . 2]" 1 462 1 60 ILE HB 1 61 SER H . . 4.310 4.227 4.163 4.319 0.009 6 0 "[ . 1 . 2]" 1 463 1 60 ILE MD 1 61 SER H . . 4.330 2.911 2.676 2.974 . 0 0 "[ . 1 . 2]" 1 464 1 60 ILE MD 1 64 GLU HB3 . . 4.300 4.253 3.922 4.321 0.021 16 0 "[ . 1 . 2]" 1 465 1 60 ILE MD 1 68 LYS H . . 5.230 5.119 5.013 5.236 0.006 12 0 "[ . 1 . 2]" 1 466 1 60 ILE MD 1 68 LYS HA . . 4.860 4.796 4.614 4.882 0.022 9 0 "[ . 1 . 2]" 1 467 1 60 ILE MD 1 68 LYS HE3 . . 4.660 4.182 3.761 4.546 . 0 0 "[ . 1 . 2]" 1 468 1 60 ILE HG13 1 61 SER H . . 5.110 5.013 4.862 5.112 0.002 6 0 "[ . 1 . 2]" 1 469 1 60 ILE MG 1 61 SER H . . 3.420 2.522 2.433 2.680 . 0 0 "[ . 1 . 2]" 1 470 1 60 ILE MG 1 61 SER HA . . 4.110 4.133 4.114 4.165 0.055 6 0 "[ . 1 . 2]" 1 471 1 60 ILE MG 1 64 GLU HA . . 5.060 4.855 4.759 4.997 . 0 0 "[ . 1 . 2]" 1 472 1 60 ILE MG 1 64 GLU HB3 . . 3.700 3.690 3.610 3.722 0.022 6 0 "[ . 1 . 2]" 1 473 1 60 ILE MG 1 65 LEU H . . 4.340 3.412 3.026 3.731 . 0 0 "[ . 1 . 2]" 1 474 1 60 ILE MG 1 65 LEU HA . . 3.400 2.283 2.119 2.697 . 0 0 "[ . 1 . 2]" 1 475 1 60 ILE MG 1 68 LYS H . . 4.970 4.286 4.152 4.444 . 0 0 "[ . 1 . 2]" 1 476 1 60 ILE MG 1 68 LYS HE3 . . 4.960 4.984 4.963 4.996 0.036 9 0 "[ . 1 . 2]" 1 477 1 61 SER H 1 61 SER HB3 . . 3.670 3.472 2.884 3.520 . 0 0 "[ . 1 . 2]" 1 478 1 61 SER H 1 64 GLU H . . 5.180 4.876 4.631 4.988 . 0 0 "[ . 1 . 2]" 1 479 1 61 SER H 1 64 GLU HB3 . . 4.970 4.932 4.633 4.991 0.021 19 0 "[ . 1 . 2]" 1 480 1 61 SER HA 1 62 GLU H . . 3.020 2.190 2.153 2.227 . 0 0 "[ . 1 . 2]" 1 481 1 61 SER HA 1 62 GLU HB3 . . 4.820 4.609 4.505 4.738 . 0 0 "[ . 1 . 2]" 1 482 1 61 SER HA 1 63 LEU H . . 4.600 4.132 3.818 4.328 . 0 0 "[ . 1 . 2]" 1 483 1 61 SER HB3 1 62 GLU H . . 3.800 3.442 3.277 3.693 . 0 0 "[ . 1 . 2]" 1 484 1 61 SER HB3 1 63 LEU H . . 3.730 3.076 2.486 3.300 . 0 0 "[ . 1 . 2]" 1 485 1 61 SER HB3 1 64 GLU H . . 4.230 3.094 2.679 3.303 . 0 0 "[ . 1 . 2]" 1 486 1 61 SER HB3 1 64 GLU HB3 . . 4.670 4.661 3.865 4.722 0.052 4 0 "[ . 1 . 2]" 1 487 1 62 GLU H 1 62 GLU HB3 . . 3.640 2.552 2.470 2.710 . 0 0 "[ . 1 . 2]" 1 488 1 62 GLU H 1 63 LEU H . . 3.890 2.930 2.775 3.037 . 0 0 "[ . 1 . 2]" 1 489 1 62 GLU HA 1 65 LEU H . . 4.340 3.645 3.230 4.107 . 0 0 "[ . 1 . 2]" 1 490 1 62 GLU HA 1 65 LEU QD . . 3.810 3.279 2.373 3.787 . 0 0 "[ . 1 . 2]" 1 491 1 63 LEU H 1 63 LEU HB3 . . 3.740 2.779 2.629 3.629 . 0 0 "[ . 1 . 2]" 1 492 1 63 LEU H 1 63 LEU MD1 . . 4.340 3.790 2.716 4.026 . 0 0 "[ . 1 . 2]" 1 493 1 63 LEU H 1 63 LEU MD2 . . 4.170 2.119 1.695 3.525 . 0 0 "[ . 1 . 2]" 1 494 1 63 LEU H 1 63 LEU HG . . 3.150 2.851 1.840 3.193 0.043 7 0 "[ . 1 . 2]" 1 495 1 63 LEU H 1 64 GLU H . . 3.550 2.529 2.326 2.701 . 0 0 "[ . 1 . 2]" 1 496 1 63 LEU MD1 1 64 GLU H . . 4.770 4.453 2.801 4.800 0.030 4 0 "[ . 1 . 2]" 1 497 1 63 LEU MD2 1 64 GLU H . . 5.410 3.593 2.888 4.973 . 0 0 "[ . 1 . 2]" 1 498 1 63 LEU HG 1 64 GLU H . . 4.740 3.390 3.141 3.898 . 0 0 "[ . 1 . 2]" 1 499 1 63 LEU HG 1 65 LEU H . . 5.500 5.336 5.169 5.605 0.105 15 0 "[ . 1 . 2]" 1 500 1 64 GLU H 1 64 GLU HB3 . . 3.950 3.714 3.600 3.821 . 0 0 "[ . 1 . 2]" 1 501 1 64 GLU H 1 64 GLU HG3 . . 4.070 3.432 2.679 4.093 0.023 17 0 "[ . 1 . 2]" 1 502 1 64 GLU H 1 66 GLU H . . 5.500 4.602 4.335 4.817 . 0 0 "[ . 1 . 2]" 1 503 1 64 GLU HA 1 64 GLU HG3 . . 4.000 3.505 3.086 3.838 . 0 0 "[ . 1 . 2]" 1 504 1 64 GLU HB3 1 65 LEU H . . 4.740 4.241 4.007 4.392 . 0 0 "[ . 1 . 2]" 1 505 1 65 LEU H 1 65 LEU HB3 . . 3.720 2.416 2.297 2.575 . 0 0 "[ . 1 . 2]" 1 506 1 65 LEU H 1 65 LEU QD . . 4.160 3.647 2.990 3.726 . 0 0 "[ . 1 . 2]" 1 507 1 65 LEU H 1 66 GLU H . . 3.880 2.863 2.798 2.915 . 0 0 "[ . 1 . 2]" 1 508 1 65 LEU H 1 66 GLU HA . . 5.400 5.456 5.440 5.469 0.069 7 0 "[ . 1 . 2]" 1 509 1 65 LEU HA 1 68 LYS H . . 4.430 3.664 3.459 3.818 . 0 0 "[ . 1 . 2]" 1 510 1 65 LEU HA 1 69 LEU H . . 4.810 3.768 3.489 3.966 . 0 0 "[ . 1 . 2]" 1 511 1 65 LEU HB3 1 66 GLU H . . 4.190 2.680 2.509 3.949 . 0 0 "[ . 1 . 2]" 1 512 1 65 LEU QD 1 66 GLU H . . 4.410 3.803 2.908 4.035 . 0 0 "[ . 1 . 2]" 1 513 1 65 LEU QD 1 68 LYS H . . 5.090 4.819 4.608 5.099 0.009 4 0 "[ . 1 . 2]" 1 514 1 65 LEU HG 1 66 GLU HA . . 4.170 3.763 3.415 4.197 0.027 3 0 "[ . 1 . 2]" 1 515 1 66 GLU H 1 66 GLU HB3 . . 3.740 2.990 2.464 3.621 . 0 0 "[ . 1 . 2]" 1 516 1 66 GLU H 1 66 GLU HG3 . . 4.760 3.679 2.269 4.475 . 0 0 "[ . 1 . 2]" 1 517 1 66 GLU H 1 67 ASP H . . 3.510 2.729 2.664 2.807 . 0 0 "[ . 1 . 2]" 1 518 1 66 GLU HA 1 66 GLU HG3 . . 4.060 2.709 2.343 3.805 . 0 0 "[ . 1 . 2]" 1 519 1 66 GLU HA 1 68 LYS H . . 4.980 4.521 4.357 4.760 . 0 0 "[ . 1 . 2]" 1 520 1 66 GLU HA 1 69 LEU H . . 4.130 3.745 3.483 4.156 0.026 5 0 "[ . 1 . 2]" 1 521 1 66 GLU HA 1 69 LEU QD . . 3.700 3.464 3.007 3.716 0.016 5 0 "[ . 1 . 2]" 1 522 1 66 GLU HB3 1 67 ASP H . . 4.090 3.126 2.505 4.100 0.010 14 0 "[ . 1 . 2]" 1 523 1 67 ASP H 1 67 ASP HB3 . . 3.360 2.491 2.398 2.568 . 0 0 "[ . 1 . 2]" 1 524 1 67 ASP H 1 69 LEU H . . 4.810 4.284 3.824 4.549 . 0 0 "[ . 1 . 2]" 1 525 1 67 ASP HA 1 70 GLU H . . 3.930 3.661 3.436 3.804 . 0 0 "[ . 1 . 2]" 1 526 1 67 ASP HA 1 70 GLU HA . . 5.500 5.430 5.204 5.516 0.016 12 0 "[ . 1 . 2]" 1 527 1 67 ASP HB3 1 68 LYS H . . 4.290 2.724 2.624 2.793 . 0 0 "[ . 1 . 2]" 1 528 1 68 LYS H 1 68 LYS HB3 . . 3.510 2.318 2.258 2.414 . 0 0 "[ . 1 . 2]" 1 529 1 68 LYS H 1 69 LEU H . . 3.660 2.775 2.672 2.847 . 0 0 "[ . 1 . 2]" 1 530 1 68 LYS HA 1 68 LYS HD3 . . 4.160 2.956 2.753 3.101 . 0 0 "[ . 1 . 2]" 1 531 1 68 LYS HA 1 71 LYS H . . 4.160 3.868 3.711 4.033 . 0 0 "[ . 1 . 2]" 1 532 1 68 LYS HB3 1 69 LEU H . . 4.230 2.432 2.355 2.513 . 0 0 "[ . 1 . 2]" 1 533 1 69 LEU H 1 69 LEU HB3 . . 3.820 2.427 2.346 2.548 . 0 0 "[ . 1 . 2]" 1 534 1 69 LEU H 1 69 LEU QD . . 4.460 3.658 3.622 3.695 . 0 0 "[ . 1 . 2]" 1 535 1 69 LEU H 1 69 LEU HG . . 4.620 4.448 4.332 4.488 . 0 0 "[ . 1 . 2]" 1 536 1 69 LEU H 1 70 GLU H . . 3.590 2.724 2.628 2.769 . 0 0 "[ . 1 . 2]" 1 537 1 69 LEU H 1 71 LYS H . . 4.770 4.366 4.287 4.478 . 0 0 "[ . 1 . 2]" 1 538 1 69 LEU H 1 72 ILE MD . . 4.580 4.423 4.251 4.560 . 0 0 "[ . 1 . 2]" 1 539 1 69 LEU HA 1 69 LEU QD . . 3.340 2.773 2.240 3.128 . 0 0 "[ . 1 . 2]" 1 540 1 69 LEU HA 1 71 LYS H . . 4.190 3.811 3.681 3.958 . 0 0 "[ . 1 . 2]" 1 541 1 69 LEU HA 1 72 ILE H . . 3.980 3.141 2.959 3.310 . 0 0 "[ . 1 . 2]" 1 542 1 69 LEU HA 1 72 ILE HB . . 3.610 3.163 3.046 3.273 . 0 0 "[ . 1 . 2]" 1 543 1 69 LEU HA 1 72 ILE MD . . 3.300 2.169 2.126 2.233 . 0 0 "[ . 1 . 2]" 1 544 1 69 LEU HA 1 72 ILE MG . . 4.550 4.423 4.303 4.553 0.003 13 0 "[ . 1 . 2]" 1 545 1 69 LEU HA 1 73 ILE H . . 4.370 4.336 4.250 4.409 0.039 1 0 "[ . 1 . 2]" 1 546 1 69 LEU HB3 1 70 GLU H . . 4.200 3.039 2.759 3.201 . 0 0 "[ . 1 . 2]" 1 547 1 69 LEU QD 1 70 GLU H . . 5.350 3.812 3.518 4.210 . 0 0 "[ . 1 . 2]" 1 548 1 69 LEU QD 1 73 ILE MD . . 4.100 2.334 1.955 3.068 . 0 0 "[ . 1 . 2]" 1 549 1 69 LEU HG 1 70 GLU H . . 5.500 4.511 4.124 5.106 . 0 0 "[ . 1 . 2]" 1 550 1 69 LEU HG 1 72 ILE H . . 5.500 4.603 4.176 5.142 . 0 0 "[ . 1 . 2]" 1 551 1 70 GLU H 1 72 ILE H . . 4.890 4.206 4.134 4.372 . 0 0 "[ . 1 . 2]" 1 552 1 70 GLU HA 1 72 ILE H . . 5.120 4.245 4.026 4.477 . 0 0 "[ . 1 . 2]" 1 553 1 70 GLU HA 1 73 ILE H . . 4.280 3.383 3.208 3.638 . 0 0 "[ . 1 . 2]" 1 554 1 70 GLU HA 1 73 ILE HB . . 3.570 2.631 2.399 2.862 . 0 0 "[ . 1 . 2]" 1 555 1 70 GLU HA 1 73 ILE MD . . 3.850 2.615 2.355 3.033 . 0 0 "[ . 1 . 2]" 1 556 1 70 GLU HA 1 73 ILE HG13 . . 4.650 3.588 3.231 3.931 . 0 0 "[ . 1 . 2]" 1 557 1 70 GLU HA 1 73 ILE MG . . 4.940 4.057 3.858 4.301 . 0 0 "[ . 1 . 2]" 1 558 1 70 GLU HA 1 74 ASN H . . 4.870 3.984 3.765 4.147 . 0 0 "[ . 1 . 2]" 1 559 1 71 LYS H 1 71 LYS HB3 . . 3.620 3.624 3.604 3.636 0.016 17 0 "[ . 1 . 2]" 1 560 1 71 LYS H 1 71 LYS HG3 . . 4.160 2.256 2.042 2.388 . 0 0 "[ . 1 . 2]" 1 561 1 71 LYS H 1 72 ILE H . . 3.560 2.503 2.450 2.606 . 0 0 "[ . 1 . 2]" 1 562 1 71 LYS H 1 72 ILE HB . . 5.120 4.816 4.708 4.870 . 0 0 "[ . 1 . 2]" 1 563 1 71 LYS H 1 72 ILE MD . . 4.900 4.939 4.924 4.955 0.055 16 0 "[ . 1 . 2]" 1 564 1 71 LYS H 1 73 ILE H . . 5.040 4.192 4.134 4.297 . 0 0 "[ . 1 . 2]" 1 565 1 71 LYS HA 1 71 LYS HG3 . . 3.940 3.176 3.093 3.341 . 0 0 "[ . 1 . 2]" 1 566 1 71 LYS HA 1 74 ASN H . . 4.300 3.475 3.355 3.655 . 0 0 "[ . 1 . 2]" 1 567 1 71 LYS HA 1 74 ASN HD21 . . 4.870 3.339 3.188 3.496 . 0 0 "[ . 1 . 2]" 1 568 1 71 LYS HA 1 74 ASN QD . . 4.190 3.275 3.115 3.419 . 0 0 "[ . 1 . 2]" 1 569 1 71 LYS HA 1 74 ASN HD22 . . 4.870 4.750 4.307 4.893 0.023 19 0 "[ . 1 . 2]" 1 570 1 71 LYS HA 1 75 ALA H . . 4.640 4.441 4.323 4.653 0.013 13 0 "[ . 1 . 2]" 1 571 1 71 LYS HB3 1 98 SER HB3 . . 4.300 3.051 2.703 3.660 . 0 0 "[ . 1 . 2]" 1 572 1 71 LYS HD3 1 98 SER HA . . 4.630 3.624 2.934 4.285 . 0 0 "[ . 1 . 2]" 1 573 1 72 ILE H 1 72 ILE HB . . 3.400 2.605 2.512 2.679 . 0 0 "[ . 1 . 2]" 1 574 1 72 ILE H 1 72 ILE MD . . 3.620 3.497 3.397 3.570 . 0 0 "[ . 1 . 2]" 1 575 1 72 ILE H 1 72 ILE MG . . 3.860 3.833 3.818 3.842 . 0 0 "[ . 1 . 2]" 1 576 1 72 ILE H 1 73 ILE H . . 3.850 2.679 2.548 2.765 . 0 0 "[ . 1 . 2]" 1 577 1 72 ILE H 1 73 ILE HG13 . . 5.270 4.442 4.353 4.556 . 0 0 "[ . 1 . 2]" 1 578 1 72 ILE HA 1 72 ILE HG13 . . 3.680 3.072 2.918 3.170 . 0 0 "[ . 1 . 2]" 1 579 1 72 ILE HA 1 72 ILE MG . . 3.110 2.400 2.357 2.455 . 0 0 "[ . 1 . 2]" 1 580 1 72 ILE HA 1 73 ILE HA . . 5.350 4.854 4.822 4.908 . 0 0 "[ . 1 . 2]" 1 581 1 72 ILE HA 1 75 ALA H . . 3.950 3.423 3.330 3.518 . 0 0 "[ . 1 . 2]" 1 582 1 72 ILE HA 1 75 ALA MB . . 3.180 2.672 2.394 2.864 . 0 0 "[ . 1 . 2]" 1 583 1 72 ILE HA 1 76 VAL MG2 . . 4.150 3.909 3.690 4.017 . 0 0 "[ . 1 . 2]" 1 584 1 72 ILE HB 1 73 ILE H . . 3.660 2.429 2.366 2.521 . 0 0 "[ . 1 . 2]" 1 585 1 72 ILE HB 1 76 VAL MG2 . . 4.600 4.360 4.249 4.541 . 0 0 "[ . 1 . 2]" 1 586 1 72 ILE MD 1 73 ILE H . . 4.510 4.297 4.177 4.368 . 0 0 "[ . 1 . 2]" 1 587 1 72 ILE MG 1 73 ILE H . . 3.790 3.417 3.303 3.495 . 0 0 "[ . 1 . 2]" 1 588 1 72 ILE MG 1 73 ILE HA . . 3.770 3.608 3.432 3.725 . 0 0 "[ . 1 . 2]" 1 589 1 72 ILE MG 1 75 ALA H . . 5.170 4.471 4.392 4.532 . 0 0 "[ . 1 . 2]" 1 590 1 72 ILE MG 1 91 VAL HA . . 4.040 3.335 3.193 3.515 . 0 0 "[ . 1 . 2]" 1 591 1 72 ILE MG 1 94 ALA H . . 5.500 4.514 4.282 4.706 . 0 0 "[ . 1 . 2]" 1 592 1 72 ILE MG 1 94 ALA HA . . 4.680 4.403 4.041 4.646 . 0 0 "[ . 1 . 2]" 1 593 1 72 ILE MG 1 95 VAL H . . 4.400 3.581 3.227 3.979 . 0 0 "[ . 1 . 2]" 1 594 1 72 ILE MG 1 95 VAL HB . . 4.310 3.812 3.477 4.289 . 0 0 "[ . 1 . 2]" 1 595 1 73 ILE H 1 73 ILE HB . . 3.410 2.512 2.441 2.603 . 0 0 "[ . 1 . 2]" 1 596 1 73 ILE H 1 73 ILE MD . . 4.190 3.520 3.379 3.617 . 0 0 "[ . 1 . 2]" 1 597 1 73 ILE H 1 73 ILE HG13 . . 3.570 2.131 2.038 2.193 . 0 0 "[ . 1 . 2]" 1 598 1 73 ILE H 1 73 ILE MG . . 4.000 3.805 3.788 3.824 . 0 0 "[ . 1 . 2]" 1 599 1 73 ILE H 1 74 ASN H . . 3.440 2.938 2.883 3.024 . 0 0 "[ . 1 . 2]" 1 600 1 73 ILE H 1 75 ALA H . . 5.310 4.153 4.044 4.221 . 0 0 "[ . 1 . 2]" 1 601 1 73 ILE H 1 94 ALA MB . . 5.310 5.057 4.886 5.213 . 0 0 "[ . 1 . 2]" 1 602 1 73 ILE HA 1 73 ILE MD . . 4.040 3.871 3.826 3.916 . 0 0 "[ . 1 . 2]" 1 603 1 73 ILE HA 1 73 ILE HG13 . . 3.770 2.919 2.840 3.010 . 0 0 "[ . 1 . 2]" 1 604 1 73 ILE HA 1 73 ILE MG . . 3.200 2.463 2.372 2.535 . 0 0 "[ . 1 . 2]" 1 605 1 73 ILE HA 1 75 ALA H . . 4.900 4.068 3.880 4.165 . 0 0 "[ . 1 . 2]" 1 606 1 73 ILE HA 1 76 VAL H . . 4.210 3.318 3.160 3.406 . 0 0 "[ . 1 . 2]" 1 607 1 73 ILE HA 1 76 VAL HA . . 5.500 5.287 5.141 5.437 . 0 0 "[ . 1 . 2]" 1 608 1 73 ILE HA 1 76 VAL HB . . 3.360 2.518 2.360 2.762 . 0 0 "[ . 1 . 2]" 1 609 1 73 ILE HA 1 76 VAL MG1 . . 4.410 3.846 3.690 4.072 . 0 0 "[ . 1 . 2]" 1 610 1 73 ILE HA 1 76 VAL MG2 . . 3.570 2.977 2.799 3.282 . 0 0 "[ . 1 . 2]" 1 611 1 73 ILE HA 1 77 GLU H . . 4.830 4.073 3.908 4.425 . 0 0 "[ . 1 . 2]" 1 612 1 73 ILE HA 1 94 ALA MB . . 5.500 4.668 4.498 4.876 . 0 0 "[ . 1 . 2]" 1 613 1 73 ILE HB 1 73 ILE MD . . 3.480 2.439 2.364 2.481 . 0 0 "[ . 1 . 2]" 1 614 1 73 ILE HB 1 74 ASN H . . 3.700 2.686 2.588 2.765 . 0 0 "[ . 1 . 2]" 1 615 1 73 ILE HB 1 75 ALA H . . 5.060 5.048 4.947 5.092 0.032 19 0 "[ . 1 . 2]" 1 616 1 73 ILE MD 1 73 ILE MG . . 3.180 2.081 2.036 2.113 . 0 0 "[ . 1 . 2]" 1 617 1 73 ILE MD 1 74 ASN H . . 4.760 4.685 4.616 4.778 0.018 19 0 "[ . 1 . 2]" 1 618 1 73 ILE HG13 1 73 ILE MG . . 3.440 3.236 3.219 3.251 . 0 0 "[ . 1 . 2]" 1 619 1 73 ILE HG13 1 74 ASN H . . 5.500 4.459 4.373 4.510 . 0 0 "[ . 1 . 2]" 1 620 1 73 ILE MG 1 74 ASN H . . 3.960 3.359 3.142 3.534 . 0 0 "[ . 1 . 2]" 1 621 1 73 ILE MG 1 74 ASN HA . . 4.150 3.556 3.332 3.715 . 0 0 "[ . 1 . 2]" 1 622 1 73 ILE MG 1 75 ALA H . . 5.020 4.880 4.705 4.961 . 0 0 "[ . 1 . 2]" 1 623 1 73 ILE MG 1 76 VAL HB . . 4.780 3.657 3.380 4.015 . 0 0 "[ . 1 . 2]" 1 624 1 73 ILE MG 1 76 VAL MG1 . . 4.590 4.105 3.811 4.399 . 0 0 "[ . 1 . 2]" 1 625 1 73 ILE MG 1 77 GLU H . . 4.370 4.087 3.897 4.395 0.025 6 0 "[ . 1 . 2]" 1 626 1 74 ASN H 1 74 ASN HB3 . . 3.820 3.560 3.536 3.603 . 0 0 "[ . 1 . 2]" 1 627 1 74 ASN H 1 74 ASN QD . . 4.810 2.823 2.299 3.892 . 0 0 "[ . 1 . 2]" 1 628 1 74 ASN H 1 75 ALA H . . 3.600 2.844 2.768 2.895 . 0 0 "[ . 1 . 2]" 1 629 1 74 ASN HA 1 77 GLU H . . 4.400 3.576 3.379 3.759 . 0 0 "[ . 1 . 2]" 1 630 1 74 ASN HA 1 77 GLU HG3 . . 4.780 3.460 3.186 3.700 . 0 0 "[ . 1 . 2]" 1 631 1 74 ASN HB3 1 75 ALA H . . 4.420 3.862 3.736 4.184 . 0 0 "[ . 1 . 2]" 1 632 1 74 ASN HB3 1 75 ALA MB . . 4.930 4.607 4.417 4.797 . 0 0 "[ . 1 . 2]" 1 633 1 75 ALA H 1 75 ALA MB . . 2.880 2.255 2.230 2.321 . 0 0 "[ . 1 . 2]" 1 634 1 75 ALA H 1 76 VAL H . . 3.610 2.334 2.181 2.406 . 0 0 "[ . 1 . 2]" 1 635 1 75 ALA H 1 76 VAL MG2 . . 3.950 3.971 3.942 3.989 0.039 14 0 "[ . 1 . 2]" 1 636 1 75 ALA H 1 77 GLU H . . 4.350 3.930 3.740 4.083 . 0 0 "[ . 1 . 2]" 1 637 1 75 ALA HA 1 77 GLU H . . 4.890 4.351 4.280 4.440 . 0 0 "[ . 1 . 2]" 1 638 1 75 ALA HA 1 78 LYS H . . 4.070 3.572 3.190 3.848 . 0 0 "[ . 1 . 2]" 1 639 1 75 ALA MB 1 76 VAL H . . 3.340 2.818 2.572 3.034 . 0 0 "[ . 1 . 2]" 1 640 1 75 ALA MB 1 77 GLU H . . 4.680 4.680 4.591 4.735 0.055 15 0 "[ . 1 . 2]" 1 641 1 75 ALA MB 1 78 LYS H . . 4.810 4.657 4.444 4.830 0.020 3 0 "[ . 1 . 2]" 1 642 1 75 ALA MB 1 79 GLN QE . . 4.660 3.604 3.370 4.424 . 0 0 "[ . 1 . 2]" 1 643 1 75 ALA MB 1 97 GLU H . . 4.660 3.717 3.558 3.936 . 0 0 "[ . 1 . 2]" 1 644 1 76 VAL H 1 76 VAL HB . . 3.380 2.392 2.313 2.511 . 0 0 "[ . 1 . 2]" 1 645 1 76 VAL H 1 76 VAL MG1 . . 3.910 3.766 3.734 3.803 . 0 0 "[ . 1 . 2]" 1 646 1 76 VAL H 1 76 VAL MG2 . . 2.990 2.318 2.166 2.536 . 0 0 "[ . 1 . 2]" 1 647 1 76 VAL H 1 77 GLU H . . 3.430 2.618 2.350 2.809 . 0 0 "[ . 1 . 2]" 1 648 1 76 VAL H 1 78 LYS H . . 4.810 4.174 4.037 4.320 . 0 0 "[ . 1 . 2]" 1 649 1 76 VAL H 1 94 ALA MB . . 3.700 2.987 2.856 3.145 . 0 0 "[ . 1 . 2]" 1 650 1 76 VAL HA 1 76 VAL MG1 . . 3.210 2.509 2.456 2.541 . 0 0 "[ . 1 . 2]" 1 651 1 76 VAL HA 1 76 VAL MG2 . . 2.810 2.333 2.307 2.350 . 0 0 "[ . 1 . 2]" 1 652 1 76 VAL HA 1 78 LYS H . . 4.730 3.941 3.634 4.299 . 0 0 "[ . 1 . 2]" 1 653 1 76 VAL HA 1 79 GLN H . . 4.400 3.821 3.493 4.009 . 0 0 "[ . 1 . 2]" 1 654 1 76 VAL HA 1 79 GLN HE21 . . 4.850 2.586 2.367 4.359 . 0 0 "[ . 1 . 2]" 1 655 1 76 VAL HA 1 79 GLN QE . . 4.060 2.491 2.295 3.711 . 0 0 "[ . 1 . 2]" 1 656 1 76 VAL HA 1 79 GLN HE22 . . 4.850 3.366 3.087 4.020 . 0 0 "[ . 1 . 2]" 1 657 1 76 VAL HA 1 90 VAL QG . . 3.730 2.953 2.776 3.082 . 0 0 "[ . 1 . 2]" 1 658 1 76 VAL HA 1 94 ALA HA . . 4.960 4.705 4.463 4.981 0.021 2 0 "[ . 1 . 2]" 1 659 1 76 VAL HA 1 94 ALA MB . . 3.290 2.912 2.689 3.287 . 0 0 "[ . 1 . 2]" 1 660 1 76 VAL HB 1 77 GLU H . . 3.790 2.647 2.607 2.717 . 0 0 "[ . 1 . 2]" 1 661 1 76 VAL HB 1 86 ILE MD . . 4.700 4.276 4.154 4.356 . 0 0 "[ . 1 . 2]" 1 662 1 76 VAL HB 1 94 ALA MB . . 5.110 4.031 3.942 4.145 . 0 0 "[ . 1 . 2]" 1 663 1 76 VAL MG1 1 77 GLU H . . 3.860 3.318 3.235 3.435 . 0 0 "[ . 1 . 2]" 1 664 1 76 VAL MG1 1 77 GLU HA . . 3.930 3.485 3.345 3.626 . 0 0 "[ . 1 . 2]" 1 665 1 76 VAL MG1 1 78 LYS H . . 5.020 4.746 4.547 4.977 . 0 0 "[ . 1 . 2]" 1 666 1 76 VAL MG1 1 79 GLN H . . 4.600 4.507 4.365 4.589 . 0 0 "[ . 1 . 2]" 1 667 1 76 VAL MG1 1 94 ALA MB . . 4.050 3.925 3.837 4.038 . 0 0 "[ . 1 . 2]" 1 668 1 76 VAL MG2 1 77 GLU H . . 3.940 3.957 3.931 3.982 0.042 6 0 "[ . 1 . 2]" 1 669 1 76 VAL MG2 1 79 GLN QE . . 3.530 3.110 2.940 3.538 0.008 1 0 "[ . 1 . 2]" 1 670 1 76 VAL MG2 1 94 ALA H . . 4.450 4.073 4.002 4.234 . 0 0 "[ . 1 . 2]" 1 671 1 76 VAL MG2 1 94 ALA HA . . 4.180 4.163 4.083 4.190 0.010 6 0 "[ . 1 . 2]" 1 672 1 76 VAL MG2 1 94 ALA MB . . 2.780 2.016 1.981 2.051 . 0 0 "[ . 1 . 2]" 1 673 1 77 GLU H 1 77 GLU HB3 . . 3.680 3.571 3.524 3.638 . 0 0 "[ . 1 . 2]" 1 674 1 77 GLU H 1 77 GLU HG3 . . 3.940 3.140 2.352 3.613 . 0 0 "[ . 1 . 2]" 1 675 1 77 GLU H 1 78 LYS H . . 3.640 2.925 2.807 2.997 . 0 0 "[ . 1 . 2]" 1 676 1 77 GLU HA 1 77 GLU HG3 . . 3.880 3.449 2.851 3.751 . 0 0 "[ . 1 . 2]" 1 677 1 77 GLU HA 1 79 GLN H . . 4.460 3.943 3.732 4.170 . 0 0 "[ . 1 . 2]" 1 678 1 77 GLU HB3 1 78 LYS H . . 4.370 3.987 3.740 4.175 . 0 0 "[ . 1 . 2]" 1 679 1 78 LYS H 1 78 LYS HB3 . . 3.860 3.359 2.677 3.735 . 0 0 "[ . 1 . 2]" 1 680 1 78 LYS H 1 78 LYS HG3 . . 4.130 2.819 2.254 3.298 . 0 0 "[ . 1 . 2]" 1 681 1 78 LYS H 1 79 GLN H . . 3.290 2.475 2.202 2.716 . 0 0 "[ . 1 . 2]" 1 682 1 79 GLN H 1 79 GLN HB3 . . 3.720 3.599 3.561 3.636 . 0 0 "[ . 1 . 2]" 1 683 1 79 GLN H 1 80 PRO HA . . 5.350 5.392 5.350 5.414 0.064 13 0 "[ . 1 . 2]" 1 684 1 79 GLN HA 1 80 PRO HD3 . . 3.230 2.344 2.124 2.425 . 0 0 "[ . 1 . 2]" 1 685 1 79 GLN HB3 1 81 LEU QD . . 4.090 4.031 3.210 4.111 0.021 4 0 "[ . 1 . 2]" 1 686 1 79 GLN QE 1 90 VAL QG . . 3.890 2.522 2.292 2.613 . 0 0 "[ . 1 . 2]" 1 687 1 79 GLN QE 1 91 VAL HA . . 5.340 3.940 3.810 4.248 . 0 0 "[ . 1 . 2]" 1 688 1 79 GLN QE 1 93 ALA MB . . 4.100 2.521 2.338 2.832 . 0 0 "[ . 1 . 2]" 1 689 1 79 GLN QE 1 94 ALA MB . . 3.630 2.206 2.084 2.588 . 0 0 "[ . 1 . 2]" 1 690 1 79 GLN HE21 1 94 ALA MB . . 4.130 2.550 2.293 4.079 . 0 0 "[ . 1 . 2]" 1 691 1 79 GLN HE22 1 94 ALA MB . . 4.130 2.455 2.245 2.618 . 0 0 "[ . 1 . 2]" 1 692 1 80 PRO HA 1 81 LEU H . . 2.810 2.199 2.134 2.850 0.040 11 0 "[ . 1 . 2]" 1 693 1 80 PRO HA 1 81 LEU HG . . 4.030 3.828 3.589 4.120 0.090 11 0 "[ . 1 . 2]" 1 694 1 81 LEU H 1 81 LEU HB3 . . 3.960 3.547 2.575 3.705 . 0 0 "[ . 1 . 2]" 1 695 1 81 LEU H 1 81 LEU QD . . 3.690 2.807 2.558 3.103 . 0 0 "[ . 1 . 2]" 1 696 1 81 LEU H 1 81 LEU HG . . 2.980 2.752 1.936 2.951 . 0 0 "[ . 1 . 2]" 1 697 1 81 LEU HA 1 81 LEU QD . . 3.460 3.443 3.408 3.463 0.003 1 0 "[ . 1 . 2]" 1 698 1 81 LEU HA 1 83 SER H . . 4.200 4.220 4.160 4.309 0.109 10 0 "[ . 1 . 2]" 1 699 1 81 LEU HB3 1 81 LEU QD . . 3.180 2.228 2.183 2.266 . 0 0 "[ . 1 . 2]" 1 700 1 81 LEU QD 1 82 SER HA . . 4.100 3.651 3.411 3.874 . 0 0 "[ . 1 . 2]" 1 701 1 81 LEU QD 1 83 SER H . . 3.830 2.645 1.999 2.897 . 0 0 "[ . 1 . 2]" 1 702 1 82 SER H 1 83 SER H . . 4.290 2.275 2.103 3.069 . 0 0 "[ . 1 . 2]" 1 703 1 83 SER HB3 1 85 MET H . . 4.490 3.348 2.641 4.231 . 0 0 "[ . 1 . 2]" 1 704 1 84 ASN H 1 85 MET H . . 3.720 2.495 1.988 2.738 . 0 0 "[ . 1 . 2]" 1 705 1 84 ASN H 1 85 MET ME . . 5.500 5.543 5.525 5.569 0.069 19 0 "[ . 1 . 2]" 1 706 1 85 MET H 1 85 MET ME . . 5.500 4.371 4.146 4.652 . 0 0 "[ . 1 . 2]" 1 707 1 85 MET H 1 85 MET HG3 . . 4.680 3.815 2.376 4.495 . 0 0 "[ . 1 . 2]" 1 708 1 85 MET H 1 86 ILE H . . 4.830 4.480 3.925 4.583 . 0 0 "[ . 1 . 2]" 1 709 1 85 MET H 1 86 ILE MD . . 4.910 4.105 3.858 4.357 . 0 0 "[ . 1 . 2]" 1 710 1 85 MET HA 1 85 MET ME . . 4.030 3.011 2.312 3.391 . 0 0 "[ . 1 . 2]" 1 711 1 85 MET HA 1 86 ILE H . . 3.210 2.167 2.131 2.195 . 0 0 "[ . 1 . 2]" 1 712 1 85 MET HA 1 86 ILE HB . . 4.940 4.604 4.480 4.740 . 0 0 "[ . 1 . 2]" 1 713 1 85 MET HA 1 86 ILE MD . . 4.830 4.076 3.852 4.337 . 0 0 "[ . 1 . 2]" 1 714 1 85 MET ME 1 86 ILE H . . 4.760 4.196 3.372 4.793 0.033 9 0 "[ . 1 . 2]" 1 715 1 86 ILE H 1 86 ILE HB . . 3.620 2.625 2.441 2.719 . 0 0 "[ . 1 . 2]" 1 716 1 86 ILE H 1 86 ILE MD . . 4.300 3.422 2.890 3.566 . 0 0 "[ . 1 . 2]" 1 717 1 86 ILE H 1 86 ILE HG13 . . 4.220 4.061 3.656 4.198 . 0 0 "[ . 1 . 2]" 1 718 1 86 ILE H 1 86 ILE MG . . 4.560 3.874 3.778 3.923 . 0 0 "[ . 1 . 2]" 1 719 1 86 ILE HA 1 86 ILE MD . . 3.350 2.267 2.198 2.316 . 0 0 "[ . 1 . 2]" 1 720 1 86 ILE HA 1 86 ILE MG . . 3.310 2.387 2.358 2.435 . 0 0 "[ . 1 . 2]" 1 721 1 86 ILE HA 1 87 GLU H . . 3.060 2.136 2.087 2.232 . 0 0 "[ . 1 . 2]" 1 722 1 86 ILE HA 1 90 VAL QG . . 4.540 2.989 2.700 3.318 . 0 0 "[ . 1 . 2]" 1 723 1 86 ILE HA 1 91 VAL QG . . 5.050 4.703 4.519 4.867 . 0 0 "[ . 1 . 2]" 1 724 1 86 ILE HB 1 91 VAL QG . . 3.940 3.944 3.882 3.963 0.023 20 0 "[ . 1 . 2]" 1 725 1 86 ILE MD 1 87 GLU H . . 4.260 3.916 3.750 4.040 . 0 0 "[ . 1 . 2]" 1 726 1 86 ILE HG13 1 86 ILE MG . . 3.450 2.290 2.255 2.311 . 0 0 "[ . 1 . 2]" 1 727 1 86 ILE MG 1 87 GLU H . . 3.920 3.096 2.403 3.482 . 0 0 "[ . 1 . 2]" 1 728 1 86 ILE MG 1 90 VAL HB . . 3.530 2.429 2.311 2.632 . 0 0 "[ . 1 . 2]" 1 729 1 86 ILE MG 1 91 VAL H . . 4.340 3.368 3.287 3.491 . 0 0 "[ . 1 . 2]" 1 730 1 86 ILE MG 1 91 VAL HA . . 4.870 4.024 3.934 4.125 . 0 0 "[ . 1 . 2]" 1 731 1 87 GLU H 1 90 VAL HB . . 4.420 2.982 2.362 3.266 . 0 0 "[ . 1 . 2]" 1 732 1 87 GLU HA 1 88 ARG H . . 3.280 2.422 2.359 2.484 . 0 0 "[ . 1 . 2]" 1 733 1 87 GLU HB3 1 88 ARG H . . 4.130 3.768 3.713 3.836 . 0 0 "[ . 1 . 2]" 1 734 1 87 GLU HB3 1 89 SER H . . 4.890 4.778 4.710 4.895 0.005 9 0 "[ . 1 . 2]" 1 735 1 87 GLU HB3 1 90 VAL H . . 4.870 4.908 4.893 4.921 0.051 9 0 "[ . 1 . 2]" 1 736 1 88 ARG H 1 88 ARG HB3 . . 3.740 2.513 2.422 2.581 . 0 0 "[ . 1 . 2]" 1 737 1 88 ARG H 1 89 SER H . . 4.450 2.894 2.800 2.949 . 0 0 "[ . 1 . 2]" 1 738 1 88 ARG H 1 90 VAL HB . . 5.410 5.453 5.418 5.476 0.066 18 0 "[ . 1 . 2]" 1 739 1 88 ARG HA 1 88 ARG HD3 . . 4.830 4.638 4.572 4.687 . 0 0 "[ . 1 . 2]" 1 740 1 88 ARG HA 1 90 VAL H . . 4.990 4.170 4.053 4.259 . 0 0 "[ . 1 . 2]" 1 741 1 88 ARG HA 1 91 VAL H . . 4.340 3.448 3.315 3.596 . 0 0 "[ . 1 . 2]" 1 742 1 88 ARG HA 1 91 VAL HB . . 5.160 3.368 2.647 4.997 . 0 0 "[ . 1 . 2]" 1 743 1 88 ARG HA 1 91 VAL QG . . 3.690 2.866 2.007 3.285 . 0 0 "[ . 1 . 2]" 1 744 1 88 ARG HA 1 92 GLU H . . 4.800 3.910 3.710 4.129 . 0 0 "[ . 1 . 2]" 1 745 1 88 ARG HB3 1 88 ARG HD3 . . 3.780 2.499 2.358 2.580 . 0 0 "[ . 1 . 2]" 1 746 1 88 ARG HB3 1 89 SER H . . 4.790 2.559 2.410 2.822 . 0 0 "[ . 1 . 2]" 1 747 1 88 ARG HB3 1 89 SER HB3 . . 5.500 5.410 4.153 5.613 0.113 15 0 "[ . 1 . 2]" 1 748 1 89 SER H 1 89 SER HB3 . . 3.920 3.188 2.384 3.582 . 0 0 "[ . 1 . 2]" 1 749 1 89 SER H 1 90 VAL H . . 4.180 2.858 2.782 2.892 . 0 0 "[ . 1 . 2]" 1 750 1 89 SER HA 1 92 GLU H . . 4.360 3.583 3.333 3.786 . 0 0 "[ . 1 . 2]" 1 751 1 89 SER HA 1 92 GLU HB3 . . 3.880 2.938 2.552 3.911 0.031 20 0 "[ . 1 . 2]" 1 752 1 89 SER HA 1 93 ALA H . . 5.040 4.705 4.547 4.873 . 0 0 "[ . 1 . 2]" 1 753 1 89 SER HB3 1 90 VAL H . . 5.030 3.657 2.767 4.143 . 0 0 "[ . 1 . 2]" 1 754 1 90 VAL H 1 90 VAL HB . . 3.390 2.400 2.346 2.442 . 0 0 "[ . 1 . 2]" 1 755 1 90 VAL H 1 90 VAL MG1 . . 4.070 3.776 3.758 3.800 . 0 0 "[ . 1 . 2]" 1 756 1 90 VAL H 1 90 VAL QG . . 3.090 2.319 2.227 2.419 . 0 0 "[ . 1 . 2]" 1 757 1 90 VAL H 1 90 VAL MG2 . . 4.070 2.341 2.243 2.448 . 0 0 "[ . 1 . 2]" 1 758 1 90 VAL H 1 91 VAL H . . 3.360 2.587 2.481 2.721 . 0 0 "[ . 1 . 2]" 1 759 1 90 VAL H 1 92 GLU H . . 4.610 3.959 3.858 4.081 . 0 0 "[ . 1 . 2]" 1 760 1 90 VAL HA 1 90 VAL MG1 . . 3.400 2.470 2.419 2.529 . 0 0 "[ . 1 . 2]" 1 761 1 90 VAL HA 1 90 VAL QG . . 2.800 2.161 2.138 2.171 . 0 0 "[ . 1 . 2]" 1 762 1 90 VAL HA 1 90 VAL MG2 . . 3.400 2.387 2.346 2.416 . 0 0 "[ . 1 . 2]" 1 763 1 90 VAL HA 1 93 ALA H . . 3.970 3.756 3.657 3.913 . 0 0 "[ . 1 . 2]" 1 764 1 90 VAL HA 1 93 ALA MB . . 3.560 3.185 2.995 3.382 . 0 0 "[ . 1 . 2]" 1 765 1 90 VAL HA 1 94 ALA H . . 4.830 4.393 4.264 4.659 . 0 0 "[ . 1 . 2]" 1 766 1 90 VAL HA 1 94 ALA MB . . 4.940 4.697 4.502 4.914 . 0 0 "[ . 1 . 2]" 1 767 1 90 VAL HB 1 91 VAL H . . 3.560 2.664 2.602 2.743 . 0 0 "[ . 1 . 2]" 1 768 1 90 VAL HB 1 91 VAL QG . . 3.850 3.351 3.264 3.481 . 0 0 "[ . 1 . 2]" 1 769 1 90 VAL QG 1 91 VAL H . . 3.220 3.221 3.202 3.227 0.007 14 0 "[ . 1 . 2]" 1 770 1 90 VAL QG 1 91 VAL HA . . 3.620 3.582 3.517 3.621 0.001 12 0 "[ . 1 . 2]" 1 771 1 90 VAL QG 1 93 ALA H . . 5.430 4.497 4.394 4.599 . 0 0 "[ . 1 . 2]" 1 772 1 90 VAL QG 1 94 ALA H . . 4.500 4.176 4.069 4.365 . 0 0 "[ . 1 . 2]" 1 773 1 90 VAL QG 1 94 ALA MB . . 3.960 3.281 3.023 3.481 . 0 0 "[ . 1 . 2]" 1 774 1 90 VAL MG1 1 91 VAL H . . 4.110 3.403 3.381 3.419 . 0 0 "[ . 1 . 2]" 1 775 1 90 VAL MG2 1 91 VAL H . . 4.110 3.982 3.938 4.057 . 0 0 "[ . 1 . 2]" 1 776 1 91 VAL H 1 91 VAL HB . . 3.690 2.849 2.533 3.708 0.018 4 0 "[ . 1 . 2]" 1 777 1 91 VAL H 1 91 VAL MG1 . . 3.980 3.480 2.419 3.828 . 0 0 "[ . 1 . 2]" 1 778 1 91 VAL H 1 91 VAL QG . . 3.050 2.114 1.952 2.188 . 0 0 "[ . 1 . 2]" 1 779 1 91 VAL H 1 91 VAL MG2 . . 3.980 2.148 2.031 2.202 . 0 0 "[ . 1 . 2]" 1 780 1 91 VAL H 1 92 GLU H . . 3.430 2.678 2.618 2.760 . 0 0 "[ . 1 . 2]" 1 781 1 91 VAL HA 1 91 VAL MG1 . . 3.300 2.380 2.258 2.437 . 0 0 "[ . 1 . 2]" 1 782 1 91 VAL HA 1 91 VAL MG2 . . 3.300 2.597 2.347 3.259 . 0 0 "[ . 1 . 2]" 1 783 1 91 VAL HA 1 94 ALA H . . 3.910 3.004 2.884 3.140 . 0 0 "[ . 1 . 2]" 1 784 1 91 VAL HA 1 94 ALA MB . . 3.210 2.151 2.067 2.235 . 0 0 "[ . 1 . 2]" 1 785 1 91 VAL HA 1 95 VAL HB . . 4.920 4.782 4.637 4.925 0.005 9 0 "[ . 1 . 2]" 1 786 1 91 VAL HA 1 95 VAL MG1 . . 5.060 4.911 4.804 4.963 . 0 0 "[ . 1 . 2]" 1 787 1 91 VAL HB 1 92 GLU H . . 3.990 2.990 2.657 3.852 . 0 0 "[ . 1 . 2]" 1 788 1 91 VAL QG 1 92 GLU H . . 3.500 3.075 2.332 3.337 . 0 0 "[ . 1 . 2]" 1 789 1 91 VAL QG 1 92 GLU HA . . 3.630 3.630 3.579 3.656 0.026 13 0 "[ . 1 . 2]" 1 790 1 91 VAL QG 1 94 ALA MB . . 3.830 3.016 2.894 3.237 . 0 0 "[ . 1 . 2]" 1 791 1 91 VAL MG1 1 92 GLU H . . 4.210 3.710 3.539 4.189 . 0 0 "[ . 1 . 2]" 1 792 1 91 VAL MG1 1 94 ALA H . . 5.090 4.476 4.285 4.759 . 0 0 "[ . 1 . 2]" 1 793 1 91 VAL MG2 1 92 GLU H . . 4.210 3.534 2.346 3.982 . 0 0 "[ . 1 . 2]" 1 794 1 91 VAL MG2 1 94 ALA H . . 5.090 4.958 4.879 5.097 0.007 16 0 "[ . 1 . 2]" 1 795 1 92 GLU H 1 92 GLU HB3 . . 3.770 2.859 2.622 3.580 . 0 0 "[ . 1 . 2]" 1 796 1 92 GLU H 1 92 GLU HG3 . . 4.630 3.911 2.485 4.302 . 0 0 "[ . 1 . 2]" 1 797 1 92 GLU H 1 93 ALA H . . 3.740 2.802 2.688 2.898 . 0 0 "[ . 1 . 2]" 1 798 1 92 GLU H 1 93 ALA MB . . 4.690 4.495 4.392 4.598 . 0 0 "[ . 1 . 2]" 1 799 1 92 GLU HA 1 92 GLU HG3 . . 3.950 2.544 2.384 2.904 . 0 0 "[ . 1 . 2]" 1 800 1 92 GLU HA 1 94 ALA H . . 4.740 4.645 4.448 4.742 0.002 8 0 "[ . 1 . 2]" 1 801 1 92 GLU HA 1 95 VAL H . . 4.630 4.039 3.877 4.116 . 0 0 "[ . 1 . 2]" 1 802 1 92 GLU HA 1 95 VAL HB . . 4.130 4.067 3.829 4.170 0.040 18 0 "[ . 1 . 2]" 1 803 1 92 GLU HA 1 95 VAL MG1 . . 3.750 2.583 2.355 2.714 . 0 0 "[ . 1 . 2]" 1 804 1 92 GLU HA 1 96 GLN H . . 5.260 5.207 5.049 5.285 0.025 19 0 "[ . 1 . 2]" 1 805 1 92 GLU HB3 1 93 ALA H . . 3.940 3.226 2.958 3.944 0.004 13 0 "[ . 1 . 2]" 1 806 1 92 GLU HG3 1 93 ALA H . . 5.260 5.077 4.870 5.257 . 0 0 "[ . 1 . 2]" 1 807 1 93 ALA H 1 93 ALA MB . . 2.930 2.293 2.270 2.321 . 0 0 "[ . 1 . 2]" 1 808 1 93 ALA H 1 94 ALA H . . 3.600 2.272 2.181 2.346 . 0 0 "[ . 1 . 2]" 1 809 1 93 ALA H 1 94 ALA MB . . 4.410 3.944 3.843 4.019 . 0 0 "[ . 1 . 2]" 1 810 1 93 ALA H 1 96 GLN HG3 . . 5.500 5.532 5.519 5.544 0.044 1 0 "[ . 1 . 2]" 1 811 1 93 ALA HA 1 95 VAL H . . 4.770 4.438 4.381 4.494 . 0 0 "[ . 1 . 2]" 1 812 1 93 ALA HA 1 95 VAL MG1 . . 3.870 3.876 3.811 3.897 0.027 18 0 "[ . 1 . 2]" 1 813 1 93 ALA HA 1 96 GLN H . . 3.690 3.620 3.524 3.702 0.012 11 0 "[ . 1 . 2]" 1 814 1 93 ALA MB 1 94 ALA H . . 3.310 2.769 2.714 2.870 . 0 0 "[ . 1 . 2]" 1 815 1 93 ALA MB 1 96 GLN HG3 . . 5.060 4.103 4.009 4.288 . 0 0 "[ . 1 . 2]" 1 816 1 94 ALA H 1 94 ALA MB . . 2.930 2.199 2.182 2.215 . 0 0 "[ . 1 . 2]" 1 817 1 94 ALA H 1 95 VAL H . . 3.650 2.725 2.622 2.775 . 0 0 "[ . 1 . 2]" 1 818 1 94 ALA H 1 95 VAL MG1 . . 4.700 4.048 3.875 4.200 . 0 0 "[ . 1 . 2]" 1 819 1 94 ALA HA 1 97 GLU H . . 4.080 3.642 3.505 3.923 . 0 0 "[ . 1 . 2]" 1 820 1 94 ALA HA 1 98 SER H . . 4.900 4.878 4.461 4.958 0.058 5 0 "[ . 1 . 2]" 1 821 1 94 ALA MB 1 95 VAL H . . 3.490 2.617 2.546 2.682 . 0 0 "[ . 1 . 2]" 1 822 1 94 ALA MB 1 95 VAL HB . . 4.420 4.116 4.036 4.172 . 0 0 "[ . 1 . 2]" 1 823 1 94 ALA MB 1 96 GLN H . . 5.120 4.464 4.411 4.528 . 0 0 "[ . 1 . 2]" 1 824 1 94 ALA MB 1 97 GLU H . . 5.500 4.636 4.561 4.761 . 0 0 "[ . 1 . 2]" 1 825 1 95 VAL H 1 95 VAL HB . . 3.300 2.382 2.361 2.415 . 0 0 "[ . 1 . 2]" 1 826 1 95 VAL H 1 95 VAL MG1 . . 3.820 2.306 2.266 2.378 . 0 0 "[ . 1 . 2]" 1 827 1 95 VAL H 1 95 VAL MG2 . . 3.850 3.759 3.751 3.771 . 0 0 "[ . 1 . 2]" 1 828 1 95 VAL H 1 96 GLN H . . 3.610 2.782 2.756 2.798 . 0 0 "[ . 1 . 2]" 1 829 1 95 VAL HA 1 95 VAL MG1 . . 3.240 3.248 3.241 3.254 0.014 18 0 "[ . 1 . 2]" 1 830 1 95 VAL HA 1 96 GLN HA . . 5.030 4.870 4.846 4.902 . 0 0 "[ . 1 . 2]" 1 831 1 95 VAL HB 1 96 GLN H . . 4.200 4.045 4.008 4.072 . 0 0 "[ . 1 . 2]" 1 832 1 95 VAL MG1 1 96 GLN H . . 3.660 2.449 2.401 2.481 . 0 0 "[ . 1 . 2]" 1 833 1 95 VAL MG1 1 96 GLN HA . . 3.610 3.347 3.175 3.430 . 0 0 "[ . 1 . 2]" 1 834 1 95 VAL MG2 1 96 GLN H . . 3.990 3.985 3.942 4.004 0.014 12 0 "[ . 1 . 2]" 1 835 1 95 VAL MG2 1 96 GLN HA . . 4.630 4.142 4.069 4.220 . 0 0 "[ . 1 . 2]" 1 836 1 95 VAL MG2 1 99 SER H . . 4.260 4.104 3.556 4.308 0.048 7 0 "[ . 1 . 2]" 1 837 1 96 GLN H 1 96 GLN HG3 . . 4.020 3.500 3.449 3.551 . 0 0 "[ . 1 . 2]" 1 838 1 96 GLN H 1 99 SER H . . 5.170 5.148 4.942 5.220 0.050 19 0 "[ . 1 . 2]" 1 839 1 96 GLN HA 1 96 GLN HG3 . . 4.010 3.899 3.876 3.921 . 0 0 "[ . 1 . 2]" 1 840 1 97 GLU H 1 98 SER H . . 3.620 2.259 2.072 2.501 . 0 0 "[ . 1 . 2]" 1 841 1 97 GLU H 1 99 SER H . . 5.380 4.004 3.630 4.269 . 0 0 "[ . 1 . 2]" 1 842 1 97 GLU HA 1 97 GLU HG3 . . 4.200 3.404 2.775 3.840 . 0 0 "[ . 1 . 2]" 1 843 1 98 SER H 1 98 SER HB3 . . 4.000 2.989 2.362 3.690 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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