NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
571080 | 2mda | 19482 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mda 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 10 _Distance_constraint_stats_list.Viol_count 2 _Distance_constraint_stats_list.Viol_total 0.166 _Distance_constraint_stats_list.Viol_max 0.009 _Distance_constraint_stats_list.Viol_rms 0.0012 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0002 _Distance_constraint_stats_list.Viol_average_violations_only 0.0083 _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 10 PHE 0.000 0.000 . 0 "[ . 1]" 1 11 GLU 0.000 0.000 . 0 "[ . 1]" 1 17 ALA 0.000 0.000 . 0 "[ . 1]" 1 23 PHE 0.009 0.009 6 0 "[ . 1]" 1 35 ARG 0.000 0.000 . 0 "[ . 1]" 1 37 VAL 0.000 0.000 . 0 "[ . 1]" 1 38 LYS 0.000 0.000 . 0 "[ . 1]" 1 39 VAL 0.000 0.000 . 0 "[ . 1]" 1 51 GLU 0.000 0.000 . 0 "[ . 1]" 1 68 PHE 0.009 0.009 6 0 "[ . 1]" 1 69 VAL 0.009 0.009 6 0 "[ . 1]" 1 86 ARG 0.000 0.000 . 0 "[ . 1]" 1 88 VAL 0.000 0.000 . 0 "[ . 1]" 2 10 PHE 0.000 0.000 . 0 "[ . 1]" 2 11 GLU 0.000 0.000 . 0 "[ . 1]" 2 17 ALA 0.000 0.000 . 0 "[ . 1]" 2 23 PHE 0.008 0.008 6 0 "[ . 1]" 2 35 ARG 0.000 0.000 . 0 "[ . 1]" 2 37 VAL 0.000 0.000 . 0 "[ . 1]" 2 38 LYS 0.000 0.000 . 0 "[ . 1]" 2 39 VAL 0.000 0.000 . 0 "[ . 1]" 2 51 GLU 0.000 0.000 . 0 "[ . 1]" 2 68 PHE 0.008 0.008 6 0 "[ . 1]" 2 69 VAL 0.008 0.008 6 0 "[ . 1]" 2 86 ARG 0.000 0.000 . 0 "[ . 1]" 2 88 VAL 0.000 0.000 . 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 35 ARG HA 1 37 VAL QG 3.161 . 4.410 3.597 3.263 3.874 . 0 0 "[ . 1]" 1 2 2 35 ARG HA 2 37 VAL QG 3.161 . 4.410 3.598 3.264 3.877 . 0 0 "[ . 1]" 1 3 1 10 PHE HA 1 11 GLU HG2 4.735 . 7.537 4.219 3.928 5.051 . 0 0 "[ . 1]" 1 4 2 10 PHE HA 2 11 GLU HG2 4.735 . 7.537 4.219 3.927 5.051 . 0 0 "[ . 1]" 1 5 1 51 GLU H 1 68 PHE H 3.475 . 4.984 3.935 3.550 4.101 . 0 0 "[ . 1]" 1 6 2 51 GLU H 2 68 PHE H 3.475 . 4.984 3.934 3.546 4.100 . 0 0 "[ . 1]" 1 7 1 23 PHE H 1 68 PHE H 3.548 . 5.122 5.027 4.954 5.131 0.009 6 0 "[ . 1]" 1 8 2 23 PHE H 2 68 PHE H 3.548 . 5.122 5.026 4.953 5.130 0.008 6 0 "[ . 1]" 1 9 1 38 LYS H 1 39 VAL MG1 3.476 . 4.986 4.748 4.691 4.783 . 0 0 "[ . 1]" 1 10 2 38 LYS H 2 39 VAL MG1 3.476 . 4.986 4.748 4.692 4.784 . 0 0 "[ . 1]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 15 _Distance_constraint_stats_list.Viol_count 9 _Distance_constraint_stats_list.Viol_total 20.834 _Distance_constraint_stats_list.Viol_max 0.383 _Distance_constraint_stats_list.Viol_rms 0.0657 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0139 _Distance_constraint_stats_list.Viol_average_violations_only 0.2315 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 33 LEU 0.000 0.000 . 0 "[ . 1]" 1 34 SER 0.000 0.000 . 0 "[ . 1]" 1 35 ARG 0.000 0.000 . 0 "[ . 1]" 1 37 VAL 0.000 0.000 . 0 "[ . 1]" 1 38 LYS 0.000 0.000 . 0 "[ . 1]" 1 50 LEU 1.026 0.373 10 0 "[ . 1]" 1 52 THR 1.057 0.383 10 0 "[ . 1]" 2 34 SER 0.000 0.000 . 0 "[ . 1]" 2 35 ARG 0.000 0.000 . 0 "[ . 1]" 2 37 VAL 0.000 0.000 . 0 "[ . 1]" 2 38 LYS 0.000 0.000 . 0 "[ . 1]" 2 50 LEU 1.057 0.383 10 0 "[ . 1]" 2 52 THR 1.026 0.373 10 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 33 LEU H 2 37 VAL QG 4.000 . 5.000 4.072 3.070 4.605 . 0 0 "[ . 1]" 2 2 1 35 ARG H 2 37 VAL QG 4.000 . 5.000 4.607 4.468 4.716 . 0 0 "[ . 1]" 2 3 1 37 VAL QG 2 35 ARG H 4.000 . 5.000 4.618 4.494 4.732 . 0 0 "[ . 1]" 2 4 1 34 SER H 2 37 VAL QG 4.000 . 5.000 3.098 2.874 3.361 . 0 0 "[ . 1]" 2 5 1 37 VAL QG 2 34 SER H 4.000 . 5.000 3.115 2.854 3.399 . 0 0 "[ . 1]" 2 6 1 38 LYS H 2 34 SER HB3 4.000 . 5.000 3.991 3.715 4.287 . 0 0 "[ . 1]" 2 7 1 34 SER HB3 2 38 LYS H 4.000 . 5.000 3.987 3.728 4.286 . 0 0 "[ . 1]" 2 8 1 50 LEU H 2 52 THR MG 4.000 . 5.000 2.543 1.611 3.735 0.373 10 0 "[ . 1]" 2 9 1 52 THR MG 2 50 LEU H 4.000 . 5.000 2.532 1.601 3.721 0.383 10 0 "[ . 1]" 2 10 1 52 THR H 2 50 LEU HA 4.000 . 5.000 4.861 4.656 5.017 0.017 9 0 "[ . 1]" 2 11 1 50 LEU HA 2 52 THR H 4.000 . 5.000 4.867 4.670 5.013 0.013 9 0 "[ . 1]" 2 12 1 52 THR H 2 50 LEU MD1 4.000 . 5.000 2.679 2.186 3.191 . 0 0 "[ . 1]" 2 13 1 50 LEU MD1 2 52 THR H 4.000 . 5.000 2.676 2.190 3.166 . 0 0 "[ . 1]" 2 14 1 52 THR H 2 50 LEU HB3 4.000 . 5.000 3.325 2.921 3.547 . 0 0 "[ . 1]" 2 15 1 50 LEU HB3 2 52 THR H 4.000 . 5.000 3.328 2.969 3.548 . 0 0 "[ . 1]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 1632 _Distance_constraint_stats_list.Viol_count 1530 _Distance_constraint_stats_list.Viol_total 2076.621 _Distance_constraint_stats_list.Viol_max 2.077 _Distance_constraint_stats_list.Viol_rms 0.0662 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0127 _Distance_constraint_stats_list.Viol_average_violations_only 0.1357 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 3 ASN 1.240 0.186 9 0 "[ . 1]" 1 4 PRO 1.734 0.186 9 0 "[ . 1]" 1 5 LEU 2.554 0.371 9 0 "[ . 1]" 1 6 GLU 7.003 0.900 5 3 "[ * + - 1]" 1 7 ALA 1.776 0.486 9 0 "[ . 1]" 1 8 VAL 2.720 1.227 9 1 "[ . +1]" 1 9 VAL 3.467 1.140 9 1 "[ . +1]" 1 10 PHE 1.164 0.378 9 0 "[ . 1]" 1 11 GLU 5.845 1.076 2 4 "[ +* .* - 1]" 1 12 GLU 9.545 0.901 6 3 "[ .+*- 1]" 1 13 ARG 3.390 0.214 5 0 "[ . 1]" 1 14 ASP 0.044 0.024 8 0 "[ . 1]" 1 15 GLY 2.841 0.324 6 0 "[ . 1]" 1 16 ASN 6.502 0.324 6 0 "[ . 1]" 1 17 ALA 2.000 0.715 3 1 "[ + . 1]" 1 18 VAL 1.680 1.076 2 1 "[ + . 1]" 1 19 LEU 1.607 0.862 2 1 "[ + . 1]" 1 20 ASN 0.838 0.208 2 0 "[ . 1]" 1 21 LEU 0.947 0.133 5 0 "[ . 1]" 1 22 LEU 5.564 0.578 4 1 "[ +. 1]" 1 23 PHE 7.968 0.678 5 3 "[ *+ -1]" 1 24 SER 3.614 0.678 5 3 "[ *+ -1]" 1 25 LEU 2.696 0.409 10 0 "[ . 1]" 1 26 ARG 0.961 0.536 5 1 "[ + 1]" 1 27 GLY 0.000 0.000 . 0 "[ . 1]" 1 28 THR 0.000 0.000 . 0 "[ . 1]" 1 31 SER 0.160 0.059 8 0 "[ . 1]" 1 32 SER 0.000 0.000 . 0 "[ . 1]" 1 33 LEU 0.160 0.059 8 0 "[ . 1]" 1 34 SER 1.803 0.359 3 0 "[ . 1]" 1 35 ARG 0.405 0.147 3 0 "[ . 1]" 1 36 ALA 0.000 0.000 . 0 "[ . 1]" 1 37 VAL 4.418 0.354 3 0 "[ . 1]" 1 38 LYS 0.872 0.345 5 0 "[ . 1]" 1 39 VAL 2.068 0.235 7 0 "[ . 1]" 1 40 PHE 0.210 0.043 3 0 "[ . 1]" 1 41 GLU 0.682 0.345 5 0 "[ . 1]" 1 42 THR 1.325 0.250 10 0 "[ . 1]" 1 43 PHE 1.330 0.250 10 0 "[ . 1]" 1 44 GLU 2.934 0.355 1 0 "[ . 1]" 1 45 ALA 2.934 0.355 1 0 "[ . 1]" 1 46 LYS 0.000 0.000 . 0 "[ . 1]" 1 47 ILE 1.357 0.109 8 0 "[ . 1]" 1 48 HIS 1.177 0.127 2 0 "[ . 1]" 1 49 HIS 0.833 0.127 2 0 "[ . 1]" 1 50 LEU 0.000 0.000 . 0 "[ . 1]" 1 51 GLU 0.235 0.170 2 0 "[ . 1]" 1 52 THR 1.770 0.704 2 1 "[ + . 1]" 1 53 ARG 1.625 0.704 2 1 "[ + . 1]" 1 54 PRO 1.042 0.189 10 0 "[ . 1]" 1 55 ALA 3.560 0.887 10 2 "[- . +]" 1 56 GLN 7.189 0.854 2 2 "[ + . -1]" 1 57 ARG 9.046 1.375 10 4 "[** - +]" 1 58 PRO 0.848 0.190 10 0 "[ . 1]" 1 59 LEU 2.452 0.442 4 0 "[ . 1]" 1 60 ALA 2.529 1.375 10 1 "[ . +]" 1 61 GLY 1.467 0.436 7 0 "[ . 1]" 1 62 SER 1.660 0.436 7 0 "[ . 1]" 1 63 PRO 0.000 0.000 . 0 "[ . 1]" 1 64 HIS 0.457 0.311 10 0 "[ . 1]" 1 65 LEU 0.662 0.311 10 0 "[ . 1]" 1 66 GLU 5.201 0.841 2 3 "[-+* . 1]" 1 67 TYR 4.770 0.841 2 3 "[-+* . 1]" 1 68 PHE 1.660 0.148 9 0 "[ . 1]" 1 69 VAL 0.291 0.082 5 0 "[ . 1]" 1 70 ARG 0.000 0.000 . 0 "[ . 1]" 1 71 PHE 0.743 0.109 2 0 "[ . 1]" 1 72 GLU 0.459 0.115 6 0 "[ . 1]" 1 73 VAL 0.613 0.112 8 0 "[ . 1]" 1 74 PRO 0.000 0.000 . 0 "[ . 1]" 1 75 SER 0.472 0.136 8 0 "[ . 1]" 1 76 GLY 0.141 0.020 7 0 "[ . 1]" 1 77 ASP 1.849 0.219 2 0 "[ . 1]" 1 78 LEU 1.807 0.219 2 0 "[ . 1]" 1 79 ALA 0.071 0.022 7 0 "[ . 1]" 1 80 ALA 0.733 0.091 8 0 "[ . 1]" 1 81 LEU 0.976 0.091 8 0 "[ . 1]" 1 82 LEU 0.000 0.000 . 0 "[ . 1]" 1 83 SER 2.005 0.143 8 0 "[ . 1]" 1 84 SER 3.689 0.235 7 0 "[ . 1]" 1 85 VAL 0.695 0.136 7 0 "[ . 1]" 1 86 ARG 0.000 0.000 . 0 "[ . 1]" 1 87 ARG 0.636 0.078 4 0 "[ . 1]" 1 88 VAL 0.000 0.000 . 0 "[ . 1]" 1 89 SER 0.356 0.076 4 0 "[ . 1]" 1 90 ASP 1.488 0.225 5 0 "[ . 1]" 1 91 ASP 1.756 0.417 8 0 "[ . 1]" 1 92 VAL 6.208 0.583 9 1 "[ . +1]" 1 93 ARG 6.586 0.578 4 1 "[ +. 1]" 1 94 SER 4.413 1.227 9 1 "[ . +1]" 1 95 ALA 1.422 0.124 4 0 "[ . 1]" 2 3 ASN 1.247 0.189 9 0 "[ . 1]" 2 4 PRO 1.739 0.189 9 0 "[ . 1]" 2 5 LEU 2.551 0.371 9 0 "[ . 1]" 2 6 GLU 7.005 0.902 5 3 "[ * + - 1]" 2 7 ALA 1.773 0.486 9 0 "[ . 1]" 2 8 VAL 2.728 1.229 9 1 "[ . +1]" 2 9 VAL 3.470 1.140 9 1 "[ . +1]" 2 10 PHE 4.797 2.077 2 1 "[ + . 1]" 2 11 GLU 5.842 1.075 2 4 "[ +* .* - 1]" 2 12 GLU 9.540 0.900 6 3 "[ .+*- 1]" 2 13 ARG 3.394 0.215 5 0 "[ . 1]" 2 14 ASP 0.045 0.025 8 0 "[ . 1]" 2 15 GLY 2.842 0.323 6 0 "[ . 1]" 2 16 ASN 6.505 0.323 6 0 "[ . 1]" 2 17 ALA 1.990 0.714 3 1 "[ + . 1]" 2 18 VAL 1.675 1.075 2 1 "[ + . 1]" 2 19 LEU 1.605 0.861 2 1 "[ + . 1]" 2 20 ASN 4.477 2.077 2 1 "[ + . 1]" 2 21 LEU 0.939 0.130 5 0 "[ . 1]" 2 22 LEU 5.562 0.578 4 1 "[ +. 1]" 2 23 PHE 7.967 0.679 5 3 "[ *+ -1]" 2 24 SER 3.617 0.679 5 3 "[ *+ -1]" 2 25 LEU 2.693 0.408 10 0 "[ . 1]" 2 26 ARG 0.947 0.535 5 1 "[ + 1]" 2 27 GLY 0.000 0.000 . 0 "[ . 1]" 2 28 THR 0.000 0.000 . 0 "[ . 1]" 2 31 SER 0.111 0.061 8 0 "[ . 1]" 2 32 SER 0.000 0.000 . 0 "[ . 1]" 2 33 LEU 0.111 0.061 8 0 "[ . 1]" 2 34 SER 1.711 0.354 3 0 "[ . 1]" 2 35 ARG 0.398 0.148 3 0 "[ . 1]" 2 36 ALA 0.000 0.000 . 0 "[ . 1]" 2 37 VAL 4.483 0.359 3 0 "[ . 1]" 2 38 LYS 0.864 0.345 5 0 "[ . 1]" 2 39 VAL 2.067 0.236 7 0 "[ . 1]" 2 40 PHE 0.209 0.044 2 0 "[ . 1]" 2 41 GLU 0.677 0.345 5 0 "[ . 1]" 2 42 THR 1.326 0.249 10 0 "[ . 1]" 2 43 PHE 1.331 0.249 10 0 "[ . 1]" 2 44 GLU 2.938 0.354 1 0 "[ . 1]" 2 45 ALA 2.938 0.354 1 0 "[ . 1]" 2 46 LYS 0.000 0.000 . 0 "[ . 1]" 2 47 ILE 1.361 0.108 8 0 "[ . 1]" 2 48 HIS 1.183 0.129 2 0 "[ . 1]" 2 49 HIS 0.839 0.129 2 0 "[ . 1]" 2 50 LEU 0.000 0.000 . 0 "[ . 1]" 2 51 GLU 0.215 0.167 2 0 "[ . 1]" 2 52 THR 1.781 0.704 2 1 "[ + . 1]" 2 53 ARG 1.626 0.704 2 1 "[ + . 1]" 2 54 PRO 1.043 0.187 10 0 "[ . 1]" 2 55 ALA 3.543 0.887 10 2 "[- . +]" 2 56 GLN 7.178 0.853 2 2 "[ + . -1]" 2 57 ARG 9.040 1.375 10 4 "[** - +]" 2 58 PRO 0.848 0.191 10 0 "[ . 1]" 2 59 LEU 2.451 0.441 4 0 "[ . 1]" 2 60 ALA 2.525 1.375 10 1 "[ . +]" 2 61 GLY 1.465 0.437 7 0 "[ . 1]" 2 62 SER 1.659 0.437 7 0 "[ . 1]" 2 63 PRO 0.000 0.000 . 0 "[ . 1]" 2 64 HIS 0.455 0.311 10 0 "[ . 1]" 2 65 LEU 0.659 0.311 10 0 "[ . 1]" 2 66 GLU 5.200 0.840 2 3 "[-+* . 1]" 2 67 TYR 4.776 0.840 2 3 "[-+* . 1]" 2 68 PHE 1.655 0.142 9 0 "[ . 1]" 2 69 VAL 0.295 0.081 5 0 "[ . 1]" 2 70 ARG 0.000 0.000 . 0 "[ . 1]" 2 71 PHE 0.742 0.109 2 0 "[ . 1]" 2 72 GLU 0.460 0.114 6 0 "[ . 1]" 2 73 VAL 0.605 0.110 8 0 "[ . 1]" 2 74 PRO 0.000 0.000 . 0 "[ . 1]" 2 75 SER 0.475 0.136 8 0 "[ . 1]" 2 76 GLY 0.139 0.021 7 0 "[ . 1]" 2 77 ASP 1.850 0.221 2 0 "[ . 1]" 2 78 LEU 1.808 0.221 2 0 "[ . 1]" 2 79 ALA 0.072 0.023 7 0 "[ . 1]" 2 80 ALA 0.734 0.091 8 0 "[ . 1]" 2 81 LEU 0.970 0.091 8 0 "[ . 1]" 2 82 LEU 0.000 0.000 . 0 "[ . 1]" 2 83 SER 2.001 0.144 8 0 "[ . 1]" 2 84 SER 3.695 0.236 7 0 "[ . 1]" 2 85 VAL 0.688 0.136 7 0 "[ . 1]" 2 86 ARG 0.000 0.000 . 0 "[ . 1]" 2 87 ARG 0.635 0.078 4 0 "[ . 1]" 2 88 VAL 0.000 0.000 . 0 "[ . 1]" 2 89 SER 0.354 0.076 4 0 "[ . 1]" 2 90 ASP 1.484 0.224 5 0 "[ . 1]" 2 91 ASP 1.750 0.416 8 0 "[ . 1]" 2 92 VAL 6.211 0.583 9 1 "[ . +1]" 2 93 ARG 6.585 0.578 4 1 "[ +. 1]" 2 94 SER 4.414 1.229 9 1 "[ . +1]" 2 95 ALA 1.419 0.124 4 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 51 GLU HA 1 51 GLU QG 3.729 . 5.467 3.282 2.704 3.489 . 0 0 "[ . 1]" 3 2 2 51 GLU HA 2 51 GLU QG 3.729 . 5.467 3.282 2.704 3.490 . 0 0 "[ . 1]" 3 3 1 11 GLU HG3 1 17 ALA HA 3.460 . 4.956 4.634 4.041 5.671 0.715 3 1 "[ + . 1]" 3 4 2 11 GLU HG3 2 17 ALA HA 3.460 . 4.956 4.634 4.040 5.670 0.714 3 1 "[ + . 1]" 3 5 1 51 GLU H 1 51 GLU QG 4.394 . 6.405 2.592 2.376 2.707 . 0 0 "[ . 1]" 3 6 2 51 GLU H 2 51 GLU QG 4.394 . 6.405 2.592 2.378 2.709 . 0 0 "[ . 1]" 3 7 1 52 THR HA 1 52 THR MG 2.514 . 3.304 2.982 2.772 3.136 . 0 0 "[ . 1]" 3 8 2 52 THR HA 2 52 THR MG 2.514 . 3.304 2.982 2.772 3.136 . 0 0 "[ . 1]" 3 9 1 55 ALA MB 1 64 HIS QB 3.319 . 4.696 2.642 1.877 3.786 0.117 7 0 "[ . 1]" 3 10 2 55 ALA MB 2 64 HIS QB 3.319 . 4.696 2.643 1.878 3.786 0.116 7 0 "[ . 1]" 3 11 1 56 GLN HA 1 56 GLN HB3 2.391 . 3.105 2.305 2.215 2.422 . 0 0 "[ . 1]" 3 12 2 56 GLN HA 2 56 GLN HB3 2.391 . 3.105 2.305 2.215 2.420 . 0 0 "[ . 1]" 3 13 1 55 ALA MB 1 56 GLN HB3 3.560 . 5.144 4.633 3.751 5.070 . 0 0 "[ . 1]" 3 14 2 55 ALA MB 2 56 GLN HB3 3.560 . 5.144 4.633 3.750 5.071 . 0 0 "[ . 1]" 3 15 1 55 ALA MB 1 56 GLN HB2 3.714 . 5.438 4.785 4.203 5.077 . 0 0 "[ . 1]" 3 16 2 55 ALA MB 2 56 GLN HB2 3.714 . 5.438 4.785 4.204 5.077 . 0 0 "[ . 1]" 3 17 1 55 ALA MB 1 56 GLN HG3 3.442 . 4.923 3.903 3.121 4.458 . 0 0 "[ . 1]" 3 18 2 55 ALA MB 2 56 GLN HG3 3.442 . 4.923 3.903 3.122 4.458 . 0 0 "[ . 1]" 3 19 1 56 GLN HB2 1 56 GLN HG3 2.607 . 3.457 2.419 2.189 2.634 . 0 0 "[ . 1]" 3 20 2 56 GLN HB2 2 56 GLN HG3 2.607 . 3.457 2.419 2.191 2.634 . 0 0 "[ . 1]" 3 21 1 56 GLN HG2 1 57 ARG HG2 3.406 . 4.856 4.497 3.822 5.003 0.147 2 0 "[ . 1]" 3 22 2 56 GLN HG2 2 57 ARG HG2 3.406 . 4.856 4.497 3.823 5.005 0.149 2 0 "[ . 1]" 3 23 1 56 GLN HG3 1 57 ARG HG2 3.131 . 4.357 3.436 2.581 4.543 0.186 5 0 "[ . 1]" 3 24 2 56 GLN HG3 2 57 ARG HG2 3.131 . 4.357 3.436 2.580 4.542 0.185 5 0 "[ . 1]" 3 25 1 10 PHE QD 1 11 GLU QB 4.065 . 6.131 4.835 4.435 5.070 . 0 0 "[ . 1]" 3 26 2 10 PHE QD 2 11 GLU QB 4.065 . 6.131 4.835 4.434 5.071 . 0 0 "[ . 1]" 3 27 1 4 PRO HG3 1 5 LEU MD2 2.562 . 3.383 3.016 2.906 3.086 . 0 0 "[ . 1]" 3 28 2 4 PRO HG3 2 5 LEU MD2 2.562 . 3.383 3.016 2.909 3.086 . 0 0 "[ . 1]" 3 29 1 4 PRO HA 1 4 PRO HG2 2.919 . 3.984 3.797 3.790 3.808 . 0 0 "[ . 1]" 3 30 2 4 PRO HA 2 4 PRO HG2 2.919 . 3.984 3.798 3.790 3.807 . 0 0 "[ . 1]" 3 31 1 3 ASN HA 1 4 PRO HG2 2.914 . 3.975 4.099 4.057 4.161 0.186 9 0 "[ . 1]" 3 32 2 3 ASN HA 2 4 PRO HG2 2.914 . 3.975 4.100 4.058 4.164 0.189 9 0 "[ . 1]" 3 33 1 54 PRO HD3 1 54 PRO HG3 2.097 . 2.647 2.293 2.279 2.308 . 0 0 "[ . 1]" 3 34 2 54 PRO HD3 2 54 PRO HG3 2.097 . 2.647 2.293 2.279 2.308 . 0 0 "[ . 1]" 3 35 1 4 PRO QD 1 4 PRO HG3 2.089 . 2.634 2.184 2.181 2.189 . 0 0 "[ . 1]" 3 36 2 4 PRO QD 2 4 PRO HG3 2.089 . 2.634 2.184 2.180 2.189 . 0 0 "[ . 1]" 3 37 1 54 PRO HD2 1 54 PRO HG2 1.978 . 2.467 2.291 2.277 2.310 . 0 0 "[ . 1]" 3 38 2 54 PRO HD2 2 54 PRO HG2 1.978 . 2.467 2.291 2.278 2.310 . 0 0 "[ . 1]" 3 39 1 60 ALA MB 1 61 GLY HA2 4.599 . 7.242 4.292 3.794 4.575 . 0 0 "[ . 1]" 3 40 2 60 ALA MB 2 61 GLY HA2 4.599 . 7.242 4.291 3.793 4.575 . 0 0 "[ . 1]" 3 41 1 62 SER HA 1 62 SER QB 2.222 . 2.839 2.358 2.200 2.453 . 0 0 "[ . 1]" 3 42 2 62 SER HA 2 62 SER QB 2.222 . 2.839 2.359 2.201 2.454 . 0 0 "[ . 1]" 3 43 1 61 GLY H 1 62 SER QB 4.321 . 6.655 4.573 3.683 4.991 . 0 0 "[ . 1]" 3 44 2 61 GLY H 2 62 SER QB 4.321 . 6.655 4.573 3.684 4.992 . 0 0 "[ . 1]" 3 45 1 62 SER HA 1 63 PRO HA 3.422 . 4.886 4.469 4.400 4.724 . 0 0 "[ . 1]" 3 46 2 62 SER HA 2 63 PRO HA 3.422 . 4.886 4.469 4.402 4.723 . 0 0 "[ . 1]" 3 47 1 64 HIS QB 1 65 LEU QB 4.109 . 5.671 4.148 3.081 4.497 . 0 0 "[ . 1]" 3 48 2 64 HIS QB 2 65 LEU QB 4.109 . 5.671 4.148 3.081 4.497 . 0 0 "[ . 1]" 3 49 1 64 HIS QB 1 65 LEU H 3.238 . 3.288 2.403 1.616 3.301 0.311 10 0 "[ . 1]" 3 50 2 64 HIS QB 2 65 LEU H 3.238 . 3.288 2.403 1.616 3.302 0.311 10 0 "[ . 1]" 3 51 1 65 LEU HA 1 65 LEU QB 3.910 . 5.821 2.468 2.127 2.540 . 0 0 "[ . 1]" 3 52 2 65 LEU HA 2 65 LEU QB 3.910 . 5.821 2.468 2.127 2.541 . 0 0 "[ . 1]" 3 53 1 65 LEU QB 1 65 LEU MD2 2.605 . 3.302 2.276 2.042 2.634 . 0 0 "[ . 1]" 3 54 2 65 LEU QB 2 65 LEU MD2 2.605 . 3.302 2.276 2.042 2.632 . 0 0 "[ . 1]" 3 55 1 91 ASP HA 1 91 ASP HB3 2.581 . 3.414 2.745 2.419 3.033 . 0 0 "[ . 1]" 3 56 2 91 ASP HA 2 91 ASP HB3 2.581 . 3.414 2.745 2.419 3.032 . 0 0 "[ . 1]" 3 57 1 68 PHE HA 1 68 PHE QD 4.103 . 6.208 2.070 2.007 2.154 . 0 0 "[ . 1]" 3 58 2 68 PHE HA 2 68 PHE QD 4.103 . 6.208 2.071 2.008 2.154 . 0 0 "[ . 1]" 3 59 1 22 LEU HA 1 68 PHE HA 3.876 . 5.754 3.317 3.144 3.538 . 0 0 "[ . 1]" 3 60 2 22 LEU HA 2 68 PHE HA 3.876 . 5.754 3.317 3.146 3.537 . 0 0 "[ . 1]" 3 61 1 68 PHE HA 1 69 VAL MG2 3.457 . 4.951 3.288 3.207 3.342 . 0 0 "[ . 1]" 3 62 2 68 PHE HA 2 69 VAL MG2 3.457 . 4.951 3.288 3.211 3.342 . 0 0 "[ . 1]" 3 63 1 69 VAL HB 1 71 PHE HD1 3.401 . 4.847 3.853 3.626 4.105 . 0 0 "[ . 1]" 3 64 2 69 VAL HB 2 71 PHE HD1 3.401 . 4.847 3.853 3.626 4.106 . 0 0 "[ . 1]" 3 65 1 69 VAL HB 1 70 ARG H 3.691 . 5.394 3.714 3.641 3.779 . 0 0 "[ . 1]" 3 66 2 69 VAL HB 2 70 ARG H 3.691 . 5.394 3.714 3.642 3.778 . 0 0 "[ . 1]" 3 67 1 18 VAL H 1 18 VAL MG2 2.242 . 2.870 2.464 2.330 2.569 . 0 0 "[ . 1]" 3 68 2 18 VAL H 2 18 VAL MG2 2.242 . 2.870 2.464 2.332 2.569 . 0 0 "[ . 1]" 3 69 1 50 LEU HA 1 69 VAL MG2 2.804 . 3.787 2.870 2.570 3.295 . 0 0 "[ . 1]" 3 70 2 50 LEU HA 2 69 VAL MG2 2.804 . 3.787 2.870 2.570 3.295 . 0 0 "[ . 1]" 3 71 1 17 ALA HA 1 18 VAL MG2 2.559 . 3.378 3.396 3.286 3.438 0.060 1 0 "[ . 1]" 3 72 2 17 ALA HA 2 18 VAL MG2 2.559 . 3.378 3.395 3.286 3.437 0.059 1 0 "[ . 1]" 3 73 1 34 SER HA 1 37 VAL QG 2.205 . 2.813 2.060 1.886 2.160 . 0 0 "[ . 1]" 3 74 2 34 SER HA 2 37 VAL QG 2.205 . 2.813 2.060 1.886 2.161 . 0 0 "[ . 1]" 3 75 1 69 VAL HA 1 69 VAL MG1 2.632 . 3.498 2.309 2.271 2.353 . 0 0 "[ . 1]" 3 76 2 69 VAL HA 2 69 VAL MG1 2.632 . 3.498 2.309 2.271 2.354 . 0 0 "[ . 1]" 3 77 1 18 VAL MG2 1 72 GLU HA 2.982 . 4.094 3.278 3.100 3.377 . 0 0 "[ . 1]" 3 78 2 18 VAL MG2 2 72 GLU HA 2.982 . 4.094 3.277 3.100 3.375 . 0 0 "[ . 1]" 3 79 1 21 LEU H 1 69 VAL MG1 3.302 . 4.665 4.211 4.083 4.277 . 0 0 "[ . 1]" 3 80 2 21 LEU H 2 69 VAL MG1 3.302 . 4.665 4.212 4.084 4.278 . 0 0 "[ . 1]" 3 81 1 47 ILE HA 1 71 PHE HA 3.680 . 5.373 2.134 2.036 2.254 . 0 0 "[ . 1]" 3 82 2 47 ILE HA 2 71 PHE HA 3.680 . 5.373 2.134 2.037 2.253 . 0 0 "[ . 1]" 3 83 1 71 PHE HB3 1 72 GLU H 3.371 . 4.792 3.844 3.774 3.905 . 0 0 "[ . 1]" 3 84 2 71 PHE HB3 2 72 GLU H 3.371 . 4.792 3.844 3.774 3.905 . 0 0 "[ . 1]" 3 85 1 71 PHE HB3 1 71 PHE HD1 3.252 . 4.574 2.686 2.642 2.835 . 0 0 "[ . 1]" 3 86 2 71 PHE HB3 2 71 PHE HD1 3.252 . 4.574 2.686 2.642 2.836 . 0 0 "[ . 1]" 3 87 1 18 VAL HB 1 72 GLU HA 3.689 . 5.390 5.095 4.886 5.250 . 0 0 "[ . 1]" 3 88 2 18 VAL HB 2 72 GLU HA 3.689 . 5.390 5.095 4.887 5.248 . 0 0 "[ . 1]" 3 89 1 72 GLU HB3 1 73 VAL H 3.309 . 4.677 4.298 4.239 4.364 . 0 0 "[ . 1]" 3 90 2 72 GLU HB3 2 73 VAL H 3.309 . 4.677 4.298 4.239 4.364 . 0 0 "[ . 1]" 3 91 1 72 GLU H 1 72 GLU HB2 3.994 . 5.988 3.822 3.759 3.876 . 0 0 "[ . 1]" 3 92 2 72 GLU H 2 72 GLU HB2 3.994 . 5.988 3.822 3.760 3.876 . 0 0 "[ . 1]" 3 93 1 18 VAL HA 1 72 GLU HB2 3.313 . 4.685 2.805 2.675 2.905 . 0 0 "[ . 1]" 3 94 2 18 VAL HA 2 72 GLU HB2 3.313 . 4.685 2.805 2.677 2.906 . 0 0 "[ . 1]" 3 95 1 18 VAL HA 1 72 GLU HB3 3.488 . 5.009 3.459 3.194 3.655 . 0 0 "[ . 1]" 3 96 2 18 VAL HA 2 72 GLU HB3 3.488 . 5.009 3.459 3.195 3.655 . 0 0 "[ . 1]" 3 97 1 16 ASN QB 1 72 GLU HB2 3.683 . 5.379 4.029 3.798 4.521 . 0 0 "[ . 1]" 3 98 2 16 ASN QB 2 72 GLU HB2 3.683 . 5.379 4.029 3.797 4.520 . 0 0 "[ . 1]" 3 99 1 72 GLU HA 1 72 GLU QG 3.387 . 4.821 3.243 3.164 3.389 . 0 0 "[ . 1]" 3 100 2 72 GLU HA 2 72 GLU QG 3.387 . 4.821 3.243 3.165 3.389 . 0 0 "[ . 1]" 3 101 1 72 GLU H 1 72 GLU QG 3.274 . 4.344 2.936 2.820 3.045 . 0 0 "[ . 1]" 3 102 2 72 GLU H 2 72 GLU QG 3.274 . 4.344 2.936 2.821 3.044 . 0 0 "[ . 1]" 3 103 1 73 VAL MG1 1 81 LEU MD2 2.258 . 2.895 1.606 1.563 1.625 0.058 6 0 "[ . 1]" 3 104 2 73 VAL MG1 2 81 LEU MD2 2.258 . 2.895 1.607 1.564 1.626 0.057 6 0 "[ . 1]" 3 105 1 73 VAL MG1 1 77 ASP HB3 2.795 . 3.771 2.654 1.783 2.824 0.036 7 0 "[ . 1]" 3 106 2 73 VAL MG1 2 77 ASP HB3 2.795 . 3.771 2.654 1.785 2.825 0.034 7 0 "[ . 1]" 3 107 1 43 PHE HB3 1 73 VAL MG1 3.444 . 4.927 2.893 2.809 3.053 . 0 0 "[ . 1]" 3 108 2 43 PHE HB3 2 73 VAL MG1 3.444 . 4.927 2.893 2.809 3.053 . 0 0 "[ . 1]" 3 109 1 40 PHE HA 1 73 VAL MG2 2.509 . 3.296 3.072 3.045 3.105 . 0 0 "[ . 1]" 3 110 2 40 PHE HA 2 73 VAL MG2 2.509 . 3.296 3.072 3.043 3.107 . 0 0 "[ . 1]" 3 111 1 74 PRO HB3 1 75 SER H 3.710 . 5.431 3.510 3.457 3.579 . 0 0 "[ . 1]" 3 112 2 74 PRO HB3 2 75 SER H 3.710 . 5.431 3.511 3.458 3.582 . 0 0 "[ . 1]" 3 113 1 54 PRO HB3 1 55 ALA MB 3.637 . 5.291 4.615 4.214 5.005 . 0 0 "[ . 1]" 3 114 2 54 PRO HB3 2 55 ALA MB 3.637 . 5.291 4.614 4.212 5.005 . 0 0 "[ . 1]" 3 115 1 75 SER HA 1 78 LEU H 3.324 . 4.705 3.988 3.875 4.197 . 0 0 "[ . 1]" 3 116 2 75 SER HA 2 78 LEU H 3.324 . 4.705 3.989 3.876 4.197 . 0 0 "[ . 1]" 3 117 1 16 ASN HA 1 75 SER HB2 3.600 . 5.220 4.240 3.113 4.930 . 0 0 "[ . 1]" 3 118 2 16 ASN HA 2 75 SER HB2 3.600 . 5.220 4.239 3.113 4.929 . 0 0 "[ . 1]" 3 119 1 78 LEU HA 1 78 LEU HB3 2.991 . 4.109 3.015 3.013 3.017 . 0 0 "[ . 1]" 3 120 2 78 LEU HA 2 78 LEU HB3 2.991 . 4.109 3.015 3.012 3.017 . 0 0 "[ . 1]" 3 121 1 78 LEU HA 1 80 ALA MB 3.435 . 4.910 4.379 4.331 4.412 . 0 0 "[ . 1]" 3 122 2 78 LEU HA 2 80 ALA MB 3.435 . 4.910 4.379 4.331 4.410 . 0 0 "[ . 1]" 3 123 1 78 LEU HA 1 80 ALA H 4.255 . 6.518 3.818 3.797 3.847 . 0 0 "[ . 1]" 3 124 2 78 LEU HA 2 80 ALA H 4.255 . 6.518 3.818 3.796 3.846 . 0 0 "[ . 1]" 3 125 1 78 LEU HA 1 79 ALA H 3.685 . 5.383 3.494 3.486 3.497 . 0 0 "[ . 1]" 3 126 2 78 LEU HA 2 79 ALA H 3.685 . 5.383 3.494 3.486 3.498 . 0 0 "[ . 1]" 3 127 1 75 SER HA 1 78 LEU HB3 3.908 . 5.817 3.600 3.452 3.805 . 0 0 "[ . 1]" 3 128 2 75 SER HA 2 78 LEU HB3 3.908 . 5.817 3.600 3.455 3.806 . 0 0 "[ . 1]" 3 129 1 78 LEU HB3 1 78 LEU MD1 3.293 . 4.648 3.160 3.148 3.165 . 0 0 "[ . 1]" 3 130 2 78 LEU HB3 2 78 LEU MD1 3.293 . 4.648 3.159 3.148 3.164 . 0 0 "[ . 1]" 3 131 1 17 ALA H 1 78 LEU MD2 4.440 . 6.904 4.073 3.970 4.246 . 0 0 "[ . 1]" 3 132 2 17 ALA H 2 78 LEU MD2 4.440 . 6.904 4.072 3.971 4.244 . 0 0 "[ . 1]" 3 133 1 18 VAL H 1 78 LEU MD2 3.691 . 5.394 4.794 4.651 4.898 . 0 0 "[ . 1]" 3 134 2 18 VAL H 2 78 LEU MD2 3.691 . 5.394 4.793 4.650 4.896 . 0 0 "[ . 1]" 3 135 1 76 GLY HA2 1 79 ALA MB 2.992 . 4.111 3.698 3.335 3.807 . 0 0 "[ . 1]" 3 136 2 76 GLY HA2 2 79 ALA MB 2.992 . 4.111 3.698 3.337 3.808 . 0 0 "[ . 1]" 3 137 1 43 PHE HE2 1 80 ALA HA 4.129 . 6.260 4.244 4.179 4.328 . 0 0 "[ . 1]" 3 138 2 43 PHE HE2 2 80 ALA HA 4.129 . 6.260 4.244 4.176 4.328 . 0 0 "[ . 1]" 3 139 1 81 LEU H 1 81 LEU HB2 3.663 . 5.340 3.553 3.527 3.563 . 0 0 "[ . 1]" 3 140 2 81 LEU H 2 81 LEU HB2 3.663 . 5.340 3.553 3.527 3.563 . 0 0 "[ . 1]" 3 141 1 81 LEU HB3 1 81 LEU MD2 3.230 . 4.534 2.233 2.200 2.253 . 0 0 "[ . 1]" 3 142 2 81 LEU HB3 2 81 LEU MD2 3.230 . 4.534 2.233 2.199 2.252 . 0 0 "[ . 1]" 3 143 1 39 VAL MG2 1 81 LEU HB3 3.668 . 5.350 4.335 4.292 4.369 . 0 0 "[ . 1]" 3 144 2 39 VAL MG2 2 81 LEU HB3 3.668 . 5.350 4.335 4.291 4.371 . 0 0 "[ . 1]" 3 145 1 39 VAL MG2 1 81 LEU HB2 3.477 . 4.988 3.377 3.339 3.432 . 0 0 "[ . 1]" 3 146 2 39 VAL MG2 2 81 LEU HB2 3.477 . 4.988 3.377 3.338 3.431 . 0 0 "[ . 1]" 3 147 1 81 LEU MD1 1 82 LEU MD1 2.163 . 2.748 1.824 1.815 1.831 . 0 0 "[ . 1]" 3 148 2 81 LEU MD1 2 82 LEU MD1 2.163 . 2.748 1.824 1.815 1.831 . 0 0 "[ . 1]" 3 149 1 82 LEU HB2 1 82 LEU MD1 2.441 . 3.186 2.518 2.505 2.533 . 0 0 "[ . 1]" 3 150 2 82 LEU HB2 2 82 LEU MD1 2.441 . 3.186 2.518 2.504 2.534 . 0 0 "[ . 1]" 3 151 1 82 LEU HA 1 82 LEU MD1 2.195 . 2.797 2.014 1.947 2.094 . 0 0 "[ . 1]" 3 152 2 82 LEU HA 2 82 LEU MD1 2.195 . 2.797 2.014 1.948 2.092 . 0 0 "[ . 1]" 3 153 1 59 LEU MD2 1 62 SER QB 3.474 . 4.377 2.649 1.880 3.536 0.086 8 0 "[ . 1]" 3 154 2 59 LEU MD2 2 62 SER QB 3.474 . 4.377 2.649 1.880 3.537 0.086 8 0 "[ . 1]" 3 155 1 84 SER HA 1 86 ARG H 3.304 . 4.669 3.984 3.788 4.287 . 0 0 "[ . 1]" 3 156 2 84 SER HA 2 86 ARG H 3.304 . 4.669 3.985 3.789 4.288 . 0 0 "[ . 1]" 3 157 1 84 SER HA 1 87 ARG HG2 3.432 . 4.904 3.070 3.017 3.118 . 0 0 "[ . 1]" 3 158 2 84 SER HA 2 87 ARG HG2 3.432 . 4.904 3.071 3.017 3.120 . 0 0 "[ . 1]" 3 159 1 84 SER HA 1 85 VAL MG2 3.937 . 5.875 5.336 5.266 5.479 . 0 0 "[ . 1]" 3 160 2 84 SER HA 2 85 VAL MG2 3.937 . 5.875 5.336 5.266 5.477 . 0 0 "[ . 1]" 3 161 1 84 SER QB 1 85 VAL MG2 3.477 . 4.656 3.419 3.291 3.774 . 0 0 "[ . 1]" 3 162 2 84 SER QB 2 85 VAL MG2 3.477 . 4.656 3.419 3.293 3.773 . 0 0 "[ . 1]" 3 163 1 39 VAL MG2 1 84 SER QB . . 2.710 1.654 1.622 1.756 0.235 7 0 "[ . 1]" 3 164 2 39 VAL MG2 2 84 SER QB . . 2.710 1.654 1.621 1.756 0.236 7 0 "[ . 1]" 3 165 1 81 LEU HA 1 84 SER QB 4.063 . 5.203 2.802 2.529 3.077 . 0 0 "[ . 1]" 3 166 2 81 LEU HA 2 84 SER QB 4.063 . 5.203 2.802 2.530 3.077 . 0 0 "[ . 1]" 3 167 1 85 VAL HA 1 88 VAL H 3.716 . 5.442 3.154 3.000 3.291 . 0 0 "[ . 1]" 3 168 2 85 VAL HA 2 88 VAL H 3.716 . 5.442 3.154 3.003 3.289 . 0 0 "[ . 1]" 3 169 1 84 SER QB 1 85 VAL HA 3.655 . 5.325 3.829 3.778 3.871 . 0 0 "[ . 1]" 3 170 2 84 SER QB 2 85 VAL HA 3.655 . 5.325 3.828 3.777 3.872 . 0 0 "[ . 1]" 3 171 1 39 VAL HB 1 85 VAL HA 3.489 . 5.011 4.534 4.207 4.670 . 0 0 "[ . 1]" 3 172 2 39 VAL HB 2 85 VAL HA 3.489 . 5.011 4.534 4.206 4.668 . 0 0 "[ . 1]" 3 173 1 85 VAL HB 1 87 ARG H 3.678 . 5.369 4.847 4.704 4.952 . 0 0 "[ . 1]" 3 174 2 85 VAL HB 2 87 ARG H 3.678 . 5.369 4.847 4.705 4.953 . 0 0 "[ . 1]" 3 175 1 40 PHE HE1 1 85 VAL MG2 3.182 . 4.448 2.178 2.017 2.421 . 0 0 "[ . 1]" 3 176 2 40 PHE HE1 2 85 VAL MG2 3.182 . 4.448 2.177 2.017 2.422 . 0 0 "[ . 1]" 3 177 1 40 PHE H 1 85 VAL MG2 3.202 . 4.484 4.003 3.933 4.053 . 0 0 "[ . 1]" 3 178 2 40 PHE H 2 85 VAL MG2 3.202 . 4.484 4.002 3.933 4.052 . 0 0 "[ . 1]" 3 179 1 39 VAL HB 1 85 VAL MG2 2.486 . 3.259 2.439 2.384 2.484 . 0 0 "[ . 1]" 3 180 2 39 VAL HB 2 85 VAL MG2 2.486 . 3.259 2.438 2.384 2.484 . 0 0 "[ . 1]" 3 181 1 85 VAL MG1 1 89 SER H 3.174 . 4.434 3.866 3.710 4.096 . 0 0 "[ . 1]" 3 182 2 85 VAL MG1 2 89 SER H 3.174 . 4.434 3.866 3.711 4.098 . 0 0 "[ . 1]" 3 183 1 10 PHE HA 1 19 LEU QD 3.227 . 3.946 3.034 2.210 3.742 . 0 0 "[ . 1]" 3 184 2 10 PHE HA 2 19 LEU QD 3.227 . 3.946 3.034 2.211 3.741 . 0 0 "[ . 1]" 3 185 1 66 GLU HA 1 67 TYR QD 3.701 . 5.413 4.456 3.820 5.336 . 0 0 "[ . 1]" 3 186 2 66 GLU HA 2 67 TYR QD 3.701 . 5.413 4.456 3.822 5.338 . 0 0 "[ . 1]" 3 187 1 93 ARG HG2 1 94 SER H 3.201 . 4.481 4.494 4.288 4.586 0.105 8 0 "[ . 1]" 3 188 2 93 ARG HG2 2 94 SER H 3.201 . 4.481 4.494 4.288 4.586 0.105 8 0 "[ . 1]" 3 189 1 22 LEU QD 1 93 ARG HD3 3.114 . 4.326 4.367 3.275 4.904 0.578 4 1 "[ +. 1]" 3 190 2 22 LEU QD 2 93 ARG HD3 3.114 . 4.326 4.367 3.275 4.904 0.578 4 1 "[ +. 1]" 3 191 1 22 LEU H 1 94 SER HA 2.771 . 3.731 2.950 2.506 3.736 0.005 8 0 "[ . 1]" 3 192 2 22 LEU H 2 94 SER HA 2.771 . 3.731 2.950 2.506 3.735 0.004 8 0 "[ . 1]" 3 193 1 22 LEU H 1 94 SER QB 4.304 . 6.619 4.864 4.479 5.413 . 0 0 "[ . 1]" 3 194 2 22 LEU H 2 94 SER QB 4.304 . 6.619 4.864 4.479 5.413 . 0 0 "[ . 1]" 3 195 1 47 ILE MD 1 71 PHE HA 3.462 . 4.960 3.693 3.581 3.789 . 0 0 "[ . 1]" 3 196 2 47 ILE MD 2 71 PHE HA 3.462 . 4.960 3.693 3.582 3.788 . 0 0 "[ . 1]" 3 197 1 47 ILE MG 1 48 HIS QB 3.109 . 4.317 3.959 3.920 3.972 . 0 0 "[ . 1]" 3 198 2 47 ILE MG 2 48 HIS QB 3.109 . 4.317 3.959 3.918 3.972 . 0 0 "[ . 1]" 3 199 1 47 ILE MG 1 71 PHE HD1 3.475 . 4.984 4.206 4.029 4.348 . 0 0 "[ . 1]" 3 200 2 47 ILE MG 2 71 PHE HD1 3.475 . 4.984 4.206 4.030 4.347 . 0 0 "[ . 1]" 3 201 1 79 ALA MB 1 80 ALA H 2.228 . 2.848 2.789 2.783 2.794 . 0 0 "[ . 1]" 3 202 2 79 ALA MB 2 80 ALA H 2.228 . 2.848 2.789 2.784 2.793 . 0 0 "[ . 1]" 3 203 1 77 ASP HA 1 79 ALA MB 3.347 . 4.747 4.557 4.545 4.571 . 0 0 "[ . 1]" 3 204 2 77 ASP HA 2 79 ALA MB 3.347 . 4.747 4.558 4.545 4.572 . 0 0 "[ . 1]" 3 205 1 77 ASP HB2 1 80 ALA MB 3.150 . 4.390 4.042 4.015 4.225 . 0 0 "[ . 1]" 3 206 2 77 ASP HB2 2 80 ALA MB 3.150 . 4.390 4.041 4.013 4.224 . 0 0 "[ . 1]" 3 207 1 55 ALA MB 1 56 GLN H 2.175 . 2.766 1.933 1.680 2.215 . 0 0 "[ . 1]" 3 208 2 55 ALA MB 2 56 GLN H 2.175 . 2.766 1.933 1.678 2.214 . 0 0 "[ . 1]" 3 209 1 18 VAL MG1 1 71 PHE H 2.938 . 4.017 3.872 3.782 3.924 . 0 0 "[ . 1]" 3 210 2 18 VAL MG1 2 71 PHE H 2.938 . 4.017 3.872 3.781 3.923 . 0 0 "[ . 1]" 3 211 1 28 THR HA 1 28 THR MG 2.580 . 3.412 2.532 2.244 3.179 . 0 0 "[ . 1]" 3 212 2 28 THR HA 2 28 THR MG 2.580 . 3.412 2.532 2.243 3.180 . 0 0 "[ . 1]" 3 213 1 28 THR HB 1 28 THR MG 2.487 . 3.260 2.128 2.109 2.134 . 0 0 "[ . 1]" 3 214 2 28 THR HB 2 28 THR MG 2.487 . 3.260 2.128 2.109 2.135 . 0 0 "[ . 1]" 3 215 1 45 ALA MB 1 73 VAL MG1 2.530 . 3.330 1.956 1.880 2.073 . 0 0 "[ . 1]" 3 216 2 45 ALA MB 2 73 VAL MG1 2.530 . 3.330 1.955 1.878 2.072 . 0 0 "[ . 1]" 3 217 1 73 VAL MG1 1 78 LEU MD1 2.636 . 3.505 3.105 3.074 3.146 . 0 0 "[ . 1]" 3 218 2 73 VAL MG1 2 78 LEU MD1 2.636 . 3.505 3.104 3.074 3.146 . 0 0 "[ . 1]" 3 219 1 69 VAL HB 1 69 VAL MG1 1.989 . 2.484 2.128 2.122 2.132 . 0 0 "[ . 1]" 3 220 2 69 VAL HB 2 69 VAL MG1 1.989 . 2.484 2.127 2.122 2.132 . 0 0 "[ . 1]" 3 221 1 55 ALA MB 1 57 ARG HG2 2.963 . 4.061 3.699 3.086 4.948 0.887 10 2 "[- . +]" 3 222 2 55 ALA MB 2 57 ARG HG2 2.963 . 4.061 3.699 3.088 4.948 0.887 10 2 "[- . +]" 3 223 1 73 VAL HB 1 73 VAL MG2 2.260 . 2.899 2.074 2.070 2.077 . 0 0 "[ . 1]" 3 224 2 73 VAL HB 2 73 VAL MG2 2.260 . 2.899 2.074 2.070 2.075 . 0 0 "[ . 1]" 3 225 1 5 LEU H 1 5 LEU MD2 2.428 . 3.165 2.088 1.940 2.247 . 0 0 "[ . 1]" 3 226 2 5 LEU H 2 5 LEU MD2 2.428 . 3.165 2.088 1.942 2.246 . 0 0 "[ . 1]" 3 227 1 81 LEU H 1 82 LEU MD1 3.001 . 4.127 3.747 3.720 3.782 . 0 0 "[ . 1]" 3 228 2 81 LEU H 2 82 LEU MD1 3.001 . 4.127 3.747 3.721 3.780 . 0 0 "[ . 1]" 3 229 1 85 VAL HB 1 85 VAL MG1 2.117 . 2.677 2.131 2.128 2.138 . 0 0 "[ . 1]" 3 230 2 85 VAL HB 2 85 VAL MG1 2.117 . 2.677 2.131 2.128 2.138 . 0 0 "[ . 1]" 3 231 1 85 VAL HB 1 85 VAL MG2 2.134 . 2.703 2.103 2.099 2.107 . 0 0 "[ . 1]" 3 232 2 85 VAL HB 2 85 VAL MG2 2.134 . 2.703 2.103 2.099 2.106 . 0 0 "[ . 1]" 3 233 1 20 ASN HA 1 95 ALA MB 2.925 . 3.994 3.793 3.750 3.861 . 0 0 "[ . 1]" 3 234 2 20 ASN HA 2 95 ALA MB 2.925 . 3.994 3.793 3.748 3.861 . 0 0 "[ . 1]" 3 235 1 38 LYS QG 1 39 VAL H 3.540 . 5.106 4.004 3.627 4.488 . 0 0 "[ . 1]" 3 236 2 38 LYS QG 2 39 VAL H 3.540 . 5.106 4.003 3.626 4.488 . 0 0 "[ . 1]" 3 237 1 52 THR HB 1 52 THR MG 2.364 . 3.062 2.129 2.119 2.133 . 0 0 "[ . 1]" 3 238 2 52 THR HB 2 52 THR MG 2.364 . 3.062 2.128 2.119 2.133 . 0 0 "[ . 1]" 3 239 1 4 PRO HG2 1 5 LEU MD2 2.390 . 3.104 1.880 1.710 2.096 . 0 0 "[ . 1]" 3 240 2 4 PRO HG2 2 5 LEU MD2 2.390 . 3.104 1.879 1.709 2.096 . 0 0 "[ . 1]" 3 241 1 82 LEU MD1 1 82 LEU HG 1.978 . 2.467 2.111 2.109 2.112 . 0 0 "[ . 1]" 3 242 2 82 LEU MD1 2 82 LEU HG 1.978 . 2.467 2.111 2.109 2.113 . 0 0 "[ . 1]" 3 243 1 39 VAL HA 1 39 VAL MG2 2.250 . 2.883 1.996 1.967 2.006 . 0 0 "[ . 1]" 3 244 2 39 VAL HA 2 39 VAL MG2 2.250 . 2.883 1.996 1.968 2.005 . 0 0 "[ . 1]" 3 245 1 17 ALA HA 1 17 ALA MB 2.370 . 3.072 2.076 2.028 2.093 . 0 0 "[ . 1]" 3 246 2 17 ALA HA 2 17 ALA MB 2.370 . 3.072 2.076 2.029 2.093 . 0 0 "[ . 1]" 3 247 1 21 LEU MD1 1 95 ALA H 2.776 . 3.739 3.522 3.371 3.643 . 0 0 "[ . 1]" 3 248 2 21 LEU MD1 2 95 ALA H 2.776 . 3.739 3.521 3.371 3.642 . 0 0 "[ . 1]" 3 249 1 21 LEU HA 1 21 LEU MD1 2.266 . 2.908 1.739 1.687 1.843 . 0 0 "[ . 1]" 3 250 2 21 LEU HA 2 21 LEU MD1 2.266 . 2.908 1.739 1.687 1.843 . 0 0 "[ . 1]" 3 251 1 88 VAL HB 1 88 VAL MG2 1.967 . 2.451 2.088 2.083 2.097 . 0 0 "[ . 1]" 3 252 2 88 VAL HB 2 88 VAL MG2 1.967 . 2.451 2.088 2.082 2.097 . 0 0 "[ . 1]" 3 253 1 88 VAL H 1 88 VAL MG2 2.294 . 2.952 2.310 2.111 2.455 . 0 0 "[ . 1]" 3 254 2 88 VAL H 2 88 VAL MG2 2.294 . 2.952 2.309 2.111 2.455 . 0 0 "[ . 1]" 3 255 1 91 ASP H 1 92 VAL MG2 2.695 . 3.603 3.058 2.227 3.341 . 0 0 "[ . 1]" 3 256 2 91 ASP H 2 92 VAL MG2 2.695 . 3.603 3.057 2.226 3.340 . 0 0 "[ . 1]" 3 257 1 68 PHE HB3 1 68 PHE QD 3.132 . 4.358 2.409 2.345 2.477 . 0 0 "[ . 1]" 3 258 2 68 PHE HB3 2 68 PHE QD 3.132 . 4.358 2.409 2.346 2.476 . 0 0 "[ . 1]" 3 259 1 20 ASN HA 1 70 ARG QB 3.103 . 4.307 3.987 3.620 4.144 . 0 0 "[ . 1]" 3 260 2 20 ASN HA 2 70 ARG QB 3.103 . 4.307 3.987 3.620 4.145 . 0 0 "[ . 1]" 3 261 1 20 ASN HB2 1 20 ASN HD21 3.035 . 4.186 2.808 2.272 2.962 . 0 0 "[ . 1]" 3 262 2 20 ASN HB2 2 20 ASN HD21 3.035 . 4.186 2.807 2.273 2.961 . 0 0 "[ . 1]" 3 263 1 64 HIS QB 1 64 HIS HD2 3.177 . 4.438 2.835 2.614 3.298 . 0 0 "[ . 1]" 3 264 2 64 HIS QB 2 64 HIS HD2 3.177 . 4.438 2.834 2.612 3.297 . 0 0 "[ . 1]" 3 265 1 56 GLN HE21 1 56 GLN HG3 2.814 . 3.804 2.997 2.241 3.476 . 0 0 "[ . 1]" 3 266 2 56 GLN HE21 2 56 GLN HG3 2.814 . 3.804 2.996 2.239 3.476 . 0 0 "[ . 1]" 3 267 1 43 PHE HD2 1 80 ALA MB 2.658 . 3.541 3.291 3.254 3.351 . 0 0 "[ . 1]" 3 268 2 43 PHE HD2 2 80 ALA MB 2.658 . 3.541 3.291 3.254 3.353 . 0 0 "[ . 1]" 3 269 1 28 THR H 1 28 THR MG 3.399 . 4.843 2.753 2.452 3.310 . 0 0 "[ . 1]" 3 270 2 28 THR H 2 28 THR MG 3.399 . 4.843 2.753 2.453 3.310 . 0 0 "[ . 1]" 3 271 1 40 PHE HE2 1 50 LEU MD2 2.614 . 3.468 2.523 2.358 2.883 . 0 0 "[ . 1]" 3 272 2 40 PHE HE2 2 50 LEU MD2 2.614 . 3.468 2.523 2.359 2.882 . 0 0 "[ . 1]" 3 273 1 50 LEU MD2 1 69 VAL HA 2.623 . 3.483 3.272 3.056 3.368 . 0 0 "[ . 1]" 3 274 2 50 LEU MD2 2 69 VAL HA 2.623 . 3.483 3.271 3.055 3.368 . 0 0 "[ . 1]" 3 275 1 33 LEU HB3 1 33 LEU QD 2.062 . 2.593 2.064 1.895 2.125 . 0 0 "[ . 1]" 3 276 2 33 LEU HB3 2 33 LEU QD 2.062 . 2.593 2.064 1.895 2.125 . 0 0 "[ . 1]" 3 277 1 81 LEU H 1 81 LEU MD1 2.627 . 3.490 2.158 2.123 2.202 . 0 0 "[ . 1]" 3 278 2 81 LEU H 2 81 LEU MD1 2.627 . 3.490 2.157 2.120 2.202 . 0 0 "[ . 1]" 3 279 1 87 ARG HA 1 87 ARG QD 2.489 . 3.263 2.586 2.003 2.971 . 0 0 "[ . 1]" 3 280 2 87 ARG HA 2 87 ARG QD 2.489 . 3.263 2.586 2.004 2.971 . 0 0 "[ . 1]" 3 281 1 41 GLU HA 1 41 GLU HB3 2.397 . 3.115 2.731 2.478 3.019 . 0 0 "[ . 1]" 3 282 2 41 GLU HA 2 41 GLU HB3 2.397 . 3.115 2.731 2.478 3.019 . 0 0 "[ . 1]" 3 283 1 38 LYS HA 1 41 GLU HB3 2.905 . 3.960 3.442 2.501 4.305 0.345 5 0 "[ . 1]" 3 284 2 38 LYS HA 2 41 GLU HB3 2.905 . 3.960 3.442 2.501 4.305 0.345 5 0 "[ . 1]" 3 285 1 3 ASN HA 1 4 PRO HA 3.692 . 5.395 4.526 4.451 4.658 . 0 0 "[ . 1]" 3 286 2 3 ASN HA 2 4 PRO HA 3.692 . 5.395 4.527 4.451 4.658 . 0 0 "[ . 1]" 3 287 1 4 PRO HA 1 4 PRO HB3 2.090 . 2.636 2.294 2.277 2.314 . 0 0 "[ . 1]" 3 288 2 4 PRO HA 2 4 PRO HB3 2.090 . 2.636 2.294 2.278 2.314 . 0 0 "[ . 1]" 3 289 1 63 PRO HA 1 63 PRO HB3 2.292 . 2.948 2.305 2.254 2.338 . 0 0 "[ . 1]" 3 290 2 63 PRO HA 2 63 PRO HB3 2.292 . 2.948 2.306 2.254 2.338 . 0 0 "[ . 1]" 3 291 1 37 VAL HA 1 37 VAL HB 2.443 . 3.189 2.686 2.594 2.730 . 0 0 "[ . 1]" 3 292 2 37 VAL HA 2 37 VAL HB 2.443 . 3.189 2.684 2.593 2.729 . 0 0 "[ . 1]" 3 293 1 38 LYS H 1 38 LYS HA 2.867 . 3.894 2.835 2.808 2.855 . 0 0 "[ . 1]" 3 294 2 38 LYS H 2 38 LYS HA 2.867 . 3.894 2.835 2.809 2.855 . 0 0 "[ . 1]" 3 295 1 50 LEU HA 1 69 VAL HB 3.410 . 4.863 4.333 4.219 4.565 . 0 0 "[ . 1]" 3 296 2 50 LEU HA 2 69 VAL HB 3.410 . 4.863 4.332 4.217 4.564 . 0 0 "[ . 1]" 3 297 1 69 VAL HA 1 70 ARG H 2.542 . 3.349 2.189 2.151 2.232 . 0 0 "[ . 1]" 3 298 2 69 VAL HA 2 70 ARG H 2.542 . 3.349 2.189 2.151 2.231 . 0 0 "[ . 1]" 3 299 1 21 LEU MD1 1 94 SER HA 2.419 . 3.151 1.751 1.656 1.980 0.031 7 0 "[ . 1]" 3 300 2 21 LEU MD1 2 94 SER HA 2.419 . 3.151 1.751 1.656 1.979 0.031 7 0 "[ . 1]" 3 301 1 71 PHE HD2 1 73 VAL MG2 2.430 . 3.168 2.110 2.045 2.256 . 0 0 "[ . 1]" 3 302 2 71 PHE HD2 2 73 VAL MG2 2.430 . 3.168 2.109 2.044 2.255 . 0 0 "[ . 1]" 3 303 1 9 VAL MG2 1 10 PHE HA 2.616 . 3.471 3.310 2.998 3.502 0.031 9 0 "[ . 1]" 3 304 2 9 VAL MG2 2 10 PHE HA 2.616 . 3.471 3.310 2.997 3.500 0.029 9 0 "[ . 1]" 3 305 1 10 PHE QB 1 10 PHE QE 3.098 . 4.297 3.888 3.873 3.895 . 0 0 "[ . 1]" 3 306 2 10 PHE QB 2 10 PHE QE 3.098 . 4.297 3.888 3.873 3.895 . 0 0 "[ . 1]" 3 307 1 40 PHE HA 1 40 PHE HB3 2.823 . 3.819 2.261 2.254 2.268 . 0 0 "[ . 1]" 3 308 2 40 PHE HA 2 40 PHE HB3 2.823 . 3.819 2.261 2.253 2.269 . 0 0 "[ . 1]" 3 309 1 45 ALA H 1 81 LEU MD2 2.772 . 3.732 3.389 3.349 3.445 . 0 0 "[ . 1]" 3 310 2 45 ALA H 2 81 LEU MD2 2.772 . 3.732 3.389 3.350 3.447 . 0 0 "[ . 1]" 3 311 1 43 PHE HD2 1 81 LEU MD2 2.569 . 3.394 2.407 2.366 2.479 . 0 0 "[ . 1]" 3 312 2 43 PHE HD2 2 81 LEU MD2 2.569 . 3.394 2.407 2.366 2.479 . 0 0 "[ . 1]" 3 313 1 43 PHE H 1 81 LEU MD2 2.646 . 3.521 2.164 2.123 2.239 . 0 0 "[ . 1]" 3 314 2 43 PHE H 2 81 LEU MD2 2.646 . 3.521 2.165 2.123 2.242 . 0 0 "[ . 1]" 3 315 1 71 PHE HE2 1 81 LEU MD1 2.722 . 3.648 2.162 2.072 2.223 . 0 0 "[ . 1]" 3 316 2 71 PHE HE2 2 81 LEU MD1 2.722 . 3.648 2.163 2.075 2.223 . 0 0 "[ . 1]" 3 317 1 43 PHE HB3 1 81 LEU MD2 2.709 . 3.626 3.039 3.016 3.061 . 0 0 "[ . 1]" 3 318 2 43 PHE HB3 2 81 LEU MD2 2.709 . 3.626 3.039 3.015 3.062 . 0 0 "[ . 1]" 3 319 1 40 PHE HA 1 81 LEU MD2 2.386 . 3.097 1.683 1.633 1.717 0.042 2 0 "[ . 1]" 3 320 2 40 PHE HA 2 81 LEU MD2 2.386 . 3.097 1.683 1.631 1.717 0.044 2 0 "[ . 1]" 3 321 1 43 PHE HB2 1 81 LEU MD2 2.509 . 3.296 1.749 1.716 1.771 0.006 2 0 "[ . 1]" 3 322 2 43 PHE HB2 2 81 LEU MD2 2.509 . 3.296 1.750 1.717 1.772 0.005 2 0 "[ . 1]" 3 323 1 73 VAL HB 1 81 LEU MD2 2.824 . 3.821 3.752 3.735 3.792 . 0 0 "[ . 1]" 3 324 2 73 VAL HB 2 81 LEU MD2 2.824 . 3.821 3.752 3.736 3.792 . 0 0 "[ . 1]" 3 325 1 73 VAL MG2 1 81 LEU MD2 2.042 . 2.563 2.035 1.986 2.126 . 0 0 "[ . 1]" 3 326 2 73 VAL MG2 2 81 LEU MD2 2.042 . 2.563 2.034 1.985 2.125 . 0 0 "[ . 1]" 3 327 1 46 LYS QG 1 72 GLU QG 2.946 . 3.559 2.849 2.730 2.978 . 0 0 "[ . 1]" 3 328 2 46 LYS QG 2 72 GLU QG 2.946 . 3.559 2.848 2.729 2.979 . 0 0 "[ . 1]" 3 329 1 38 LYS H 1 38 LYS QG 2.488 . 3.262 2.033 1.661 2.783 0.053 3 0 "[ . 1]" 3 330 2 38 LYS H 2 38 LYS QG 2.488 . 3.262 2.033 1.662 2.787 0.052 3 0 "[ . 1]" 3 331 1 84 SER H 1 86 ARG QG 3.172 . 4.430 4.282 3.997 4.417 . 0 0 "[ . 1]" 3 332 2 84 SER H 2 86 ARG QG 3.172 . 4.430 4.282 3.997 4.417 . 0 0 "[ . 1]" 3 333 1 37 VAL QG 1 38 LYS QE 2.454 . 3.207 2.712 2.089 3.016 . 0 0 "[ . 1]" 3 334 2 37 VAL QG 2 38 LYS QE 2.454 . 3.207 2.708 2.089 3.001 . 0 0 "[ . 1]" 3 335 1 47 ILE HA 1 71 PHE HD2 3.748 . 5.504 4.555 4.494 4.610 . 0 0 "[ . 1]" 3 336 2 47 ILE HA 2 71 PHE HD2 3.748 . 5.504 4.555 4.495 4.610 . 0 0 "[ . 1]" 3 337 1 47 ILE HA 1 47 ILE HG13 3.113 . 4.324 3.885 3.866 3.912 . 0 0 "[ . 1]" 3 338 2 47 ILE HA 2 47 ILE HG13 3.113 . 4.324 3.885 3.865 3.913 . 0 0 "[ . 1]" 3 339 1 40 PHE HD2 1 47 ILE MD 2.683 . 3.583 3.061 2.971 3.160 . 0 0 "[ . 1]" 3 340 2 40 PHE HD2 2 47 ILE MD 2.683 . 3.583 3.061 2.970 3.161 . 0 0 "[ . 1]" 3 341 1 47 ILE MG 1 48 HIS HD1 3.318 . 4.694 4.454 4.392 4.486 . 0 0 "[ . 1]" 3 342 2 47 ILE MG 2 48 HIS HD1 3.318 . 4.694 4.454 4.392 4.486 . 0 0 "[ . 1]" 3 343 1 47 ILE MG 1 72 GLU H 3.236 . 4.545 4.314 4.247 4.367 . 0 0 "[ . 1]" 3 344 2 47 ILE MG 2 72 GLU H 3.236 . 4.545 4.314 4.247 4.368 . 0 0 "[ . 1]" 3 345 1 71 PHE HA 1 71 PHE HD1 3.198 . 4.477 4.022 3.925 4.069 . 0 0 "[ . 1]" 3 346 2 71 PHE HA 2 71 PHE HD1 3.198 . 4.477 4.022 3.925 4.066 . 0 0 "[ . 1]" 3 347 1 51 GLU QG 1 68 PHE QD 3.201 . 4.482 3.004 2.686 3.265 . 0 0 "[ . 1]" 3 348 2 51 GLU QG 2 68 PHE QD 3.201 . 4.482 3.004 2.686 3.265 . 0 0 "[ . 1]" 3 349 1 52 THR H 1 52 THR HB 4.108 . 6.217 2.659 2.419 2.904 . 0 0 "[ . 1]" 3 350 2 52 THR H 2 52 THR HB 4.108 . 6.217 2.659 2.418 2.902 . 0 0 "[ . 1]" 3 351 1 52 THR H 1 52 THR MG 2.696 . 3.604 3.021 2.362 3.511 . 0 0 "[ . 1]" 3 352 2 52 THR H 2 52 THR MG 2.696 . 3.604 3.021 2.364 3.513 . 0 0 "[ . 1]" 3 353 1 52 THR MG 1 53 ARG HA 2.293 . 2.950 3.048 2.874 3.654 0.704 2 1 "[ + . 1]" 3 354 2 52 THR MG 2 53 ARG HA 2.293 . 2.950 3.048 2.875 3.654 0.704 2 1 "[ + . 1]" 3 355 1 23 PHE HB2 1 92 VAL MG2 2.252 . 2.886 2.073 1.333 2.328 0.583 9 1 "[ . +1]" 3 356 2 23 PHE HB2 2 92 VAL MG2 2.252 . 2.886 2.074 1.333 2.326 0.583 9 1 "[ . +1]" 3 357 1 25 LEU HA 1 25 LEU MD1 2.561 . 3.381 2.378 1.869 3.286 . 0 0 "[ . 1]" 3 358 2 25 LEU HA 2 25 LEU MD1 2.561 . 3.381 2.378 1.867 3.286 . 0 0 "[ . 1]" 3 359 1 53 ARG HA 1 53 ARG HB3 2.456 . 3.210 2.575 2.319 3.027 . 0 0 "[ . 1]" 3 360 2 53 ARG HA 2 53 ARG HB3 2.456 . 3.210 2.575 2.317 3.028 . 0 0 "[ . 1]" 3 361 1 25 LEU HA 1 25 LEU HB3 2.734 . 3.668 2.359 2.251 2.494 . 0 0 "[ . 1]" 3 362 2 25 LEU HA 2 25 LEU HB3 2.734 . 3.668 2.359 2.252 2.493 . 0 0 "[ . 1]" 3 363 1 54 PRO HB3 1 66 GLU H 4.105 . 6.212 5.422 4.228 6.401 0.189 10 0 "[ . 1]" 3 364 2 54 PRO HB3 2 66 GLU H 4.105 . 6.212 5.422 4.226 6.399 0.187 10 0 "[ . 1]" 3 365 1 54 PRO HB2 1 54 PRO HD2 2.393 . 3.109 3.081 2.969 3.135 0.026 2 0 "[ . 1]" 3 366 2 54 PRO HB2 2 54 PRO HD2 2.393 . 3.109 3.081 2.967 3.136 0.027 2 0 "[ . 1]" 3 367 1 73 VAL MG1 1 74 PRO HB3 4.007 . 6.014 4.547 4.517 4.612 . 0 0 "[ . 1]" 3 368 2 73 VAL MG1 2 74 PRO HB3 4.007 . 6.014 4.547 4.517 4.610 . 0 0 "[ . 1]" 3 369 1 55 ALA HA 1 66 GLU H 3.542 . 5.111 4.357 2.873 5.280 0.169 1 0 "[ . 1]" 3 370 2 55 ALA HA 2 66 GLU H 3.542 . 5.111 4.357 2.872 5.278 0.167 1 0 "[ . 1]" 3 371 1 55 ALA MB 1 64 HIS HD2 3.138 . 4.369 3.380 2.068 4.174 . 0 0 "[ . 1]" 3 372 2 55 ALA MB 2 64 HIS HD2 3.138 . 4.369 3.380 2.067 4.174 . 0 0 "[ . 1]" 3 373 1 47 ILE MG 1 71 PHE H 3.328 . 4.712 4.397 4.303 4.466 . 0 0 "[ . 1]" 3 374 2 47 ILE MG 2 71 PHE H 3.328 . 4.712 4.397 4.303 4.465 . 0 0 "[ . 1]" 3 375 1 56 GLN HB3 1 56 GLN HG3 2.335 . 3.016 2.949 2.728 3.001 . 0 0 "[ . 1]" 3 376 2 56 GLN HB3 2 56 GLN HG3 2.335 . 3.016 2.949 2.729 3.002 . 0 0 "[ . 1]" 3 377 1 56 GLN HG2 1 60 ALA MB 3.507 . 5.044 4.388 3.722 4.833 . 0 0 "[ . 1]" 3 378 2 56 GLN HG2 2 60 ALA MB 3.507 . 5.044 4.388 3.719 4.833 . 0 0 "[ . 1]" 3 379 1 56 GLN HB3 1 56 GLN HG2 2.257 . 2.894 2.464 2.264 2.893 . 0 0 "[ . 1]" 3 380 2 56 GLN HB3 2 56 GLN HG2 2.257 . 2.894 2.464 2.264 2.895 0.001 1 0 "[ . 1]" 3 381 1 56 GLN HG3 1 60 ALA MB 3.530 . 5.087 4.459 3.644 4.940 . 0 0 "[ . 1]" 3 382 2 56 GLN HG3 2 60 ALA MB 3.530 . 5.087 4.459 3.644 4.939 . 0 0 "[ . 1]" 3 383 1 57 ARG H 1 57 ARG HD3 3.156 . 4.401 3.717 2.320 5.052 0.651 5 1 "[ + 1]" 3 384 2 57 ARG H 2 57 ARG HD3 3.156 . 4.401 3.717 2.318 5.053 0.652 5 1 "[ + 1]" 3 385 1 13 ARG HB2 1 18 VAL MG2 2.693 . 3.599 2.931 2.248 3.327 . 0 0 "[ . 1]" 3 386 2 13 ARG HB2 2 18 VAL MG2 2.693 . 3.599 2.931 2.245 3.327 . 0 0 "[ . 1]" 3 387 1 58 PRO HG3 1 59 LEU H 3.105 . 4.310 3.632 3.277 4.384 0.074 5 0 "[ . 1]" 3 388 2 58 PRO HG3 2 59 LEU H 3.105 . 4.310 3.632 3.277 4.384 0.074 5 0 "[ . 1]" 3 389 1 54 PRO HD3 1 65 LEU MD1 3.412 . 4.868 3.319 2.525 4.235 . 0 0 "[ . 1]" 3 390 2 54 PRO HD3 2 65 LEU MD1 3.412 . 4.868 3.320 2.528 4.234 . 0 0 "[ . 1]" 3 391 1 54 PRO HD2 1 65 LEU MD1 3.564 . 5.152 4.240 3.688 4.816 . 0 0 "[ . 1]" 3 392 2 54 PRO HD2 2 65 LEU MD1 3.564 . 5.152 4.240 3.689 4.816 . 0 0 "[ . 1]" 3 393 1 59 LEU HB2 1 62 SER QB 3.506 . 5.043 3.668 2.432 4.819 . 0 0 "[ . 1]" 3 394 2 59 LEU HB2 2 62 SER QB 3.506 . 5.043 3.668 2.431 4.819 . 0 0 "[ . 1]" 3 395 1 59 LEU HB3 1 62 SER QB 3.275 . 4.616 3.336 1.952 4.723 0.107 4 0 "[ . 1]" 3 396 2 59 LEU HB3 2 62 SER QB 3.275 . 4.616 3.336 1.952 4.723 0.107 4 0 "[ . 1]" 3 397 1 22 LEU H 1 22 LEU QD 2.330 . 3.008 2.949 2.907 2.984 . 0 0 "[ . 1]" 3 398 2 22 LEU H 2 22 LEU QD 2.330 . 3.008 2.949 2.907 2.983 . 0 0 "[ . 1]" 3 399 1 50 LEU MD1 1 51 GLU H 2.872 . 3.903 3.089 3.036 3.141 . 0 0 "[ . 1]" 3 400 2 50 LEU MD1 2 51 GLU H 2.872 . 3.903 3.089 3.037 3.141 . 0 0 "[ . 1]" 3 401 1 16 ASN HD22 1 18 VAL MG2 2.175 . 2.766 2.376 2.169 2.540 . 0 0 "[ . 1]" 3 402 2 16 ASN HD22 2 18 VAL MG2 2.175 . 2.766 2.376 2.169 2.540 . 0 0 "[ . 1]" 3 403 1 46 LYS HA 1 47 ILE H 2.030 . 2.545 2.158 2.136 2.172 . 0 0 "[ . 1]" 3 404 2 46 LYS HA 2 47 ILE H 2.030 . 2.545 2.158 2.135 2.173 . 0 0 "[ . 1]" 3 405 1 11 GLU HA 1 11 GLU QB 2.181 . 2.776 2.155 2.099 2.180 . 0 0 "[ . 1]" 3 406 2 11 GLU HA 2 11 GLU QB 2.181 . 2.776 2.154 2.100 2.180 . 0 0 "[ . 1]" 3 407 1 66 GLU HB3 1 67 TYR QD 3.819 . 5.642 5.765 5.389 6.483 0.841 2 2 "[-+ . 1]" 3 408 2 66 GLU HB3 2 67 TYR QD 3.819 . 5.642 5.765 5.390 6.482 0.840 2 2 "[-+ . 1]" 3 409 1 13 ARG HB2 1 13 ARG HD2 2.534 . 3.337 2.595 2.397 2.707 . 0 0 "[ . 1]" 3 410 2 13 ARG HB2 2 13 ARG HD2 2.534 . 3.337 2.596 2.396 2.706 . 0 0 "[ . 1]" 3 411 1 12 GLU HA 1 12 GLU QG 2.490 . 3.265 2.566 2.330 3.115 . 0 0 "[ . 1]" 3 412 2 12 GLU HA 2 12 GLU QG 2.490 . 3.265 2.566 2.330 3.114 . 0 0 "[ . 1]" 3 413 1 67 TYR HA 1 67 TYR QD 3.202 . 4.484 3.157 2.595 3.638 . 0 0 "[ . 1]" 3 414 2 67 TYR HA 2 67 TYR QD 3.202 . 4.484 3.158 2.595 3.637 . 0 0 "[ . 1]" 3 415 1 67 TYR HA 1 67 TYR QB 3.134 . 4.362 2.211 2.134 2.539 . 0 0 "[ . 1]" 3 416 2 67 TYR HA 2 67 TYR QB 3.134 . 4.362 2.212 2.134 2.540 . 0 0 "[ . 1]" 3 417 1 22 LEU HB3 1 68 PHE HA 3.579 . 5.180 4.071 3.863 4.263 . 0 0 "[ . 1]" 3 418 2 22 LEU HB3 2 68 PHE HA 3.579 . 5.180 4.073 3.864 4.266 . 0 0 "[ . 1]" 3 419 1 22 LEU HG 1 68 PHE HA 3.302 . 4.665 3.048 2.890 3.270 . 0 0 "[ . 1]" 3 420 2 22 LEU HG 2 68 PHE HA 3.302 . 4.665 3.048 2.888 3.270 . 0 0 "[ . 1]" 3 421 1 68 PHE HA 1 69 VAL HB 3.613 . 5.244 4.815 4.718 4.899 . 0 0 "[ . 1]" 3 422 2 68 PHE HA 2 69 VAL HB 3.613 . 5.244 4.816 4.720 4.898 . 0 0 "[ . 1]" 3 423 1 51 GLU H 1 69 VAL HA 3.230 . 4.534 2.820 2.642 2.922 . 0 0 "[ . 1]" 3 424 2 51 GLU H 2 69 VAL HA 3.230 . 4.534 2.820 2.642 2.923 . 0 0 "[ . 1]" 3 425 1 68 PHE QD 1 69 VAL HA 3.479 . 4.992 4.077 3.973 4.315 . 0 0 "[ . 1]" 3 426 2 68 PHE QD 2 69 VAL HA 3.479 . 4.992 4.077 3.975 4.314 . 0 0 "[ . 1]" 3 427 1 45 ALA HA 1 73 VAL HA 3.367 . 4.784 3.105 3.023 3.246 . 0 0 "[ . 1]" 3 428 2 45 ALA HA 2 73 VAL HA 3.367 . 4.784 3.106 3.024 3.244 . 0 0 "[ . 1]" 3 429 1 40 PHE HE2 1 69 VAL HB 3.614 . 5.247 4.827 4.474 5.106 . 0 0 "[ . 1]" 3 430 2 40 PHE HE2 2 69 VAL HB 3.614 . 5.247 4.826 4.474 5.105 . 0 0 "[ . 1]" 3 431 1 49 HIS H 1 69 VAL MG1 3.097 . 4.296 3.996 3.887 4.060 . 0 0 "[ . 1]" 3 432 2 49 HIS H 2 69 VAL MG1 3.097 . 4.296 3.996 3.887 4.060 . 0 0 "[ . 1]" 3 433 1 69 VAL MG1 1 71 PHE HB3 2.419 . 3.151 3.001 2.786 3.063 . 0 0 "[ . 1]" 3 434 2 69 VAL MG1 2 71 PHE HB3 2.419 . 3.151 3.001 2.787 3.063 . 0 0 "[ . 1]" 3 435 1 21 LEU H 1 70 ARG HA 3.682 . 5.376 3.915 3.761 4.181 . 0 0 "[ . 1]" 3 436 2 21 LEU H 2 70 ARG HA 3.682 . 5.376 3.916 3.763 4.181 . 0 0 "[ . 1]" 3 437 1 47 ILE MD 1 71 PHE HB3 3.309 . 4.677 2.677 2.505 2.803 . 0 0 "[ . 1]" 3 438 2 47 ILE MD 2 71 PHE HB3 3.309 . 4.677 2.677 2.506 2.804 . 0 0 "[ . 1]" 3 439 1 36 ALA MB 1 40 PHE HE2 2.940 . 4.021 3.567 3.287 3.756 . 0 0 "[ . 1]" 3 440 2 36 ALA MB 2 40 PHE HE2 2.940 . 4.021 3.567 3.290 3.757 . 0 0 "[ . 1]" 3 441 1 68 PHE HE1 1 95 ALA MB 2.354 . 3.047 2.086 1.833 2.250 . 0 0 "[ . 1]" 3 442 2 68 PHE HE1 2 95 ALA MB 2.354 . 3.047 2.086 1.832 2.249 . 0 0 "[ . 1]" 3 443 1 10 PHE QD 1 19 LEU QD 2.332 . 3.012 2.637 2.207 2.803 . 0 0 "[ . 1]" 3 444 2 10 PHE QD 2 19 LEU QD 2.332 . 3.012 2.638 2.207 2.804 . 0 0 "[ . 1]" 3 445 1 10 PHE QE 1 12 GLU QG 2.613 . 3.467 2.619 1.951 2.962 . 0 0 "[ . 1]" 3 446 2 10 PHE QE 2 12 GLU QG 2.613 . 3.467 2.620 1.953 2.962 . 0 0 "[ . 1]" 3 447 1 23 PHE QD 1 92 VAL HB 3.480 . 4.994 4.450 3.979 4.925 . 0 0 "[ . 1]" 3 448 2 23 PHE QD 2 92 VAL HB 3.480 . 4.994 4.450 3.977 4.925 . 0 0 "[ . 1]" 3 449 1 63 PRO HB2 1 63 PRO HD2 2.610 . 3.461 3.047 2.942 3.285 . 0 0 "[ . 1]" 3 450 2 63 PRO HB2 2 63 PRO HD2 2.610 . 3.461 3.047 2.942 3.286 . 0 0 "[ . 1]" 3 451 1 23 PHE QD 1 92 VAL MG2 2.215 . 2.828 2.101 1.627 2.562 . 0 0 "[ . 1]" 3 452 2 23 PHE QD 2 92 VAL MG2 2.215 . 2.828 2.102 1.626 2.562 . 0 0 "[ . 1]" 3 453 1 23 PHE HA 1 92 VAL MG2 2.668 . 3.558 2.668 1.647 3.741 0.183 10 0 "[ . 1]" 3 454 2 23 PHE HA 2 92 VAL MG2 2.668 . 3.558 2.669 1.649 3.741 0.183 10 0 "[ . 1]" 3 455 1 23 PHE HB2 1 92 VAL MG1 2.689 . 3.593 2.612 1.751 3.272 0.034 10 0 "[ . 1]" 3 456 2 23 PHE HB2 2 92 VAL MG1 2.689 . 3.593 2.612 1.751 3.271 0.034 10 0 "[ . 1]" 3 457 1 23 PHE QD 1 89 SER QB 3.346 . 4.746 2.907 1.931 4.237 0.066 10 0 "[ . 1]" 3 458 2 23 PHE QD 2 89 SER QB 3.346 . 4.746 2.907 1.931 4.237 0.066 10 0 "[ . 1]" 3 459 1 27 GLY H 1 28 THR MG 3.372 . 4.794 4.043 3.050 4.645 . 0 0 "[ . 1]" 3 460 2 27 GLY H 2 28 THR MG 3.372 . 4.794 4.043 3.051 4.645 . 0 0 "[ . 1]" 3 461 1 45 ALA HA 1 73 VAL MG1 2.812 . 3.800 3.318 3.256 3.367 . 0 0 "[ . 1]" 3 462 2 45 ALA HA 2 73 VAL MG1 2.812 . 3.800 3.319 3.261 3.366 . 0 0 "[ . 1]" 3 463 1 21 LEU MD2 1 71 PHE HD1 2.467 . 3.228 3.249 3.200 3.337 0.109 2 0 "[ . 1]" 3 464 2 21 LEU MD2 2 71 PHE HD1 2.467 . 3.228 3.249 3.201 3.337 0.109 2 0 "[ . 1]" 3 465 1 23 PHE QD 1 25 LEU MD1 2.589 . 3.427 3.173 2.885 3.381 . 0 0 "[ . 1]" 3 466 2 23 PHE QD 2 25 LEU MD1 2.589 . 3.427 3.173 2.884 3.379 . 0 0 "[ . 1]" 3 467 1 23 PHE HE1 1 25 LEU MD1 2.503 . 3.286 2.705 1.795 3.573 0.287 10 0 "[ . 1]" 3 468 2 23 PHE HE1 2 25 LEU MD1 2.503 . 3.286 2.704 1.793 3.573 0.287 10 0 "[ . 1]" 3 469 1 24 SER HA 1 25 LEU MD2 3.122 . 4.340 2.774 2.438 3.524 . 0 0 "[ . 1]" 3 470 2 24 SER HA 2 25 LEU MD2 3.122 . 4.340 2.774 2.436 3.524 . 0 0 "[ . 1]" 3 471 1 23 PHE HA 1 92 VAL HA 3.059 . 4.229 4.122 2.823 4.588 0.359 5 0 "[ . 1]" 3 472 2 23 PHE HA 2 92 VAL HA 3.059 . 4.229 4.123 2.824 4.589 0.360 5 0 "[ . 1]" 3 473 1 23 PHE HA 1 23 PHE HB3 2.817 . 3.809 2.980 2.923 3.031 . 0 0 "[ . 1]" 3 474 2 23 PHE HA 2 23 PHE HB3 2.817 . 3.809 2.980 2.920 3.031 . 0 0 "[ . 1]" 3 475 1 51 GLU H 1 68 PHE HA 3.776 . 5.559 5.108 5.007 5.221 . 0 0 "[ . 1]" 3 476 2 51 GLU H 2 68 PHE HA 3.776 . 5.559 5.107 5.006 5.222 . 0 0 "[ . 1]" 3 477 1 46 LYS QD 1 47 ILE H 3.097 . 4.296 3.926 3.749 4.239 . 0 0 "[ . 1]" 3 478 2 46 LYS QD 2 47 ILE H 3.097 . 4.296 3.925 3.750 4.238 . 0 0 "[ . 1]" 3 479 1 50 LEU HB2 1 69 VAL HA 4.159 . 6.321 4.257 3.895 4.472 . 0 0 "[ . 1]" 3 480 2 50 LEU HB2 2 69 VAL HA 4.159 . 6.321 4.257 3.895 4.473 . 0 0 "[ . 1]" 3 481 1 50 LEU HB3 1 69 VAL HA 4.322 . 6.657 5.215 5.009 5.394 . 0 0 "[ . 1]" 3 482 2 50 LEU HB3 2 69 VAL HA 4.322 . 6.657 5.215 5.008 5.393 . 0 0 "[ . 1]" 3 483 1 51 GLU HA 1 68 PHE H 4.060 . 6.120 5.401 5.113 5.583 . 0 0 "[ . 1]" 3 484 2 51 GLU HA 2 68 PHE H 4.060 . 6.120 5.400 5.112 5.580 . 0 0 "[ . 1]" 3 485 1 49 HIS HB3 1 51 GLU QG 3.882 . 5.766 4.504 3.252 5.260 . 0 0 "[ . 1]" 3 486 2 49 HIS HB3 2 51 GLU QG 3.882 . 5.766 4.505 3.252 5.262 . 0 0 "[ . 1]" 3 487 1 53 ARG H 1 53 ARG HB2 3.331 . 4.718 3.705 2.301 4.103 . 0 0 "[ . 1]" 3 488 2 53 ARG H 2 53 ARG HB2 3.331 . 4.718 3.705 2.301 4.102 . 0 0 "[ . 1]" 3 489 1 54 PRO HA 1 66 GLU H 3.896 . 5.793 3.300 2.290 4.342 . 0 0 "[ . 1]" 3 490 2 54 PRO HA 2 66 GLU H 3.896 . 5.793 3.300 2.291 4.339 . 0 0 "[ . 1]" 3 491 1 54 PRO HB2 1 55 ALA H 2.707 . 3.623 3.374 2.889 3.761 0.138 2 0 "[ . 1]" 3 492 2 54 PRO HB2 2 55 ALA H 2.707 . 3.623 3.374 2.889 3.761 0.138 2 0 "[ . 1]" 3 493 1 53 ARG H 1 54 PRO HA 3.522 . 5.073 4.967 4.381 5.251 0.178 2 0 "[ . 1]" 3 494 2 53 ARG H 2 54 PRO HA 3.522 . 5.073 4.967 4.380 5.251 0.178 2 0 "[ . 1]" 3 495 1 37 VAL QG 2 33 LEU H 4.694 . 7.448 4.104 3.114 4.680 . 0 0 "[ . 1]" 3 496 1 51 GLU H 2 52 THR H 4.470 . 5.084 5.045 4.876 5.254 0.170 2 0 "[ . 1]" 3 497 1 52 THR H 2 51 GLU H 4.470 . 5.084 5.041 4.864 5.251 0.167 2 0 "[ . 1]" 3 498 1 34 SER HB3 2 37 VAL QG 3.434 . 4.908 1.783 1.601 1.994 0.359 3 0 "[ . 1]" 3 499 1 37 VAL QG 2 34 SER HB3 3.434 . 4.908 1.793 1.606 1.997 0.354 3 0 "[ . 1]" 3 500 1 34 SER HA 2 37 VAL QG 2.461 . 2.854 2.348 2.206 2.551 . 0 0 "[ . 1]" 3 501 1 37 VAL QG 2 34 SER HA 2.461 . 2.854 2.355 2.228 2.566 . 0 0 "[ . 1]" 3 502 1 50 LEU MD1 2 51 GLU HA 2.916 . 3.979 2.879 2.720 3.075 . 0 0 "[ . 1]" 3 503 1 51 GLU HA 2 50 LEU MD1 2.916 . 3.979 2.882 2.684 3.069 . 0 0 "[ . 1]" 3 504 1 13 ARG H 1 17 ALA H 3.635 . 5.287 4.449 4.368 4.622 . 0 0 "[ . 1]" 3 505 2 13 ARG H 2 17 ALA H 3.635 . 5.287 4.449 4.365 4.622 . 0 0 "[ . 1]" 3 506 1 21 LEU H 1 69 VAL H 2.926 . 3.996 2.932 2.702 3.092 . 0 0 "[ . 1]" 3 507 2 21 LEU H 2 69 VAL H 2.926 . 3.996 2.931 2.702 3.079 . 0 0 "[ . 1]" 3 508 1 14 ASP H 1 15 GLY H 3.030 . 4.177 2.876 2.748 2.940 . 0 0 "[ . 1]" 3 509 2 14 ASP H 2 15 GLY H 3.030 . 4.177 2.876 2.751 2.941 . 0 0 "[ . 1]" 3 510 1 51 GLU H 1 68 PHE H 3.225 . 4.525 4.225 3.663 4.552 0.027 5 0 "[ . 1]" 3 511 2 51 GLU H 2 68 PHE H 3.225 . 4.525 4.224 3.658 4.550 0.025 5 0 "[ . 1]" 3 512 1 17 ALA H 1 75 SER H 2.840 . 3.848 3.367 3.252 3.486 . 0 0 "[ . 1]" 3 513 2 17 ALA H 2 75 SER H 2.840 . 3.848 3.367 3.251 3.484 . 0 0 "[ . 1]" 3 514 1 48 HIS H 1 49 HIS H 2.757 . 3.707 2.455 2.329 2.594 . 0 0 "[ . 1]" 3 515 2 48 HIS H 2 49 HIS H 2.757 . 3.707 2.455 2.326 2.593 . 0 0 "[ . 1]" 3 516 1 78 LEU H 1 78 LEU HB3 2.815 . 3.806 2.664 2.636 2.692 . 0 0 "[ . 1]" 3 517 2 78 LEU H 2 78 LEU HB3 2.815 . 3.806 2.664 2.638 2.692 . 0 0 "[ . 1]" 3 518 1 20 ASN H 1 21 LEU H 3.688 . 5.389 4.472 4.400 4.512 . 0 0 "[ . 1]" 3 519 2 20 ASN H 2 21 LEU H 3.688 . 5.389 4.473 4.400 4.513 . 0 0 "[ . 1]" 3 520 1 21 LEU H 1 95 ALA H 3.581 . 5.184 3.769 3.548 4.157 . 0 0 "[ . 1]" 3 521 2 21 LEU H 2 95 ALA H 3.581 . 5.184 3.768 3.549 4.158 . 0 0 "[ . 1]" 3 522 1 75 SER H 1 76 GLY H 3.010 . 4.142 2.829 2.797 2.873 . 0 0 "[ . 1]" 3 523 2 75 SER H 2 76 GLY H 3.010 . 4.142 2.829 2.796 2.873 . 0 0 "[ . 1]" 3 524 1 13 ARG H 1 18 VAL H 2.925 . 3.995 3.653 3.389 4.175 0.180 8 0 "[ . 1]" 3 525 2 13 ARG H 2 18 VAL H 2.925 . 3.995 3.653 3.387 4.176 0.181 8 0 "[ . 1]" 3 526 1 18 VAL H 1 19 LEU H 3.209 . 4.496 4.349 4.300 4.444 . 0 0 "[ . 1]" 3 527 2 18 VAL H 2 19 LEU H 3.209 . 4.496 4.349 4.299 4.445 . 0 0 "[ . 1]" 3 528 1 19 LEU H 1 71 PHE H 3.234 . 4.541 3.066 2.918 3.195 . 0 0 "[ . 1]" 3 529 2 19 LEU H 2 71 PHE H 3.234 . 4.541 3.066 2.918 3.196 . 0 0 "[ . 1]" 3 530 1 17 ALA H 1 73 VAL H 2.457 . 3.212 2.625 2.535 2.782 . 0 0 "[ . 1]" 3 531 2 17 ALA H 2 73 VAL H 2.457 . 3.212 2.625 2.536 2.782 . 0 0 "[ . 1]" 3 532 1 95 ALA H 1 95 ALA MB 2.165 . 2.751 2.236 2.185 2.295 . 0 0 "[ . 1]" 3 533 2 95 ALA H 2 95 ALA MB 2.165 . 2.751 2.236 2.186 2.296 . 0 0 "[ . 1]" 3 534 1 22 LEU H 1 93 ARG H 2.920 . 3.986 3.790 2.913 4.051 0.065 5 0 "[ . 1]" 3 535 2 22 LEU H 2 93 ARG H 2.920 . 3.986 3.790 2.912 4.050 0.064 5 0 "[ . 1]" 3 536 1 11 GLU H 1 18 VAL H 2.827 . 3.826 3.735 3.272 4.902 1.076 2 1 "[ + . 1]" 3 537 2 11 GLU H 2 18 VAL H 2.827 . 3.826 3.735 3.270 4.901 1.075 2 1 "[ + . 1]" 3 538 1 76 GLY H 1 78 LEU H 3.217 . 4.511 3.567 3.401 3.697 . 0 0 "[ . 1]" 3 539 2 76 GLY H 2 78 LEU H 3.217 . 4.511 3.567 3.401 3.697 . 0 0 "[ . 1]" 3 540 1 53 ARG H 1 66 GLU H 3.631 . 5.279 4.229 3.298 5.292 0.013 2 0 "[ . 1]" 3 541 2 53 ARG H 2 66 GLU H 3.631 . 5.279 4.229 3.300 5.293 0.014 2 0 "[ . 1]" 3 542 1 76 GLY H 1 79 ALA H 4.021 . 6.042 5.388 5.131 5.485 . 0 0 "[ . 1]" 3 543 2 76 GLY H 2 79 ALA H 4.021 . 6.042 5.388 5.132 5.482 . 0 0 "[ . 1]" 3 544 1 13 ARG H 1 16 ASN H 2.513 . 3.302 2.593 2.155 2.778 . 0 0 "[ . 1]" 3 545 2 13 ARG H 2 16 ASN H 2.513 . 3.302 2.593 2.154 2.781 . 0 0 "[ . 1]" 3 546 1 16 ASN H 1 75 SER H 3.057 . 4.225 4.236 4.110 4.361 0.136 8 0 "[ . 1]" 3 547 2 16 ASN H 2 75 SER H 3.057 . 4.225 4.236 4.110 4.361 0.136 8 0 "[ . 1]" 3 548 1 76 GLY H 1 77 ASP H 2.587 . 3.424 2.380 2.164 2.487 . 0 0 "[ . 1]" 3 549 2 76 GLY H 2 77 ASP H 2.587 . 3.424 2.380 2.165 2.484 . 0 0 "[ . 1]" 3 550 1 49 HIS H 1 70 ARG H 2.962 . 4.059 2.914 2.663 3.152 . 0 0 "[ . 1]" 3 551 2 49 HIS H 2 70 ARG H 2.962 . 4.059 2.914 2.664 3.154 . 0 0 "[ . 1]" 3 552 1 93 ARG H 1 94 SER H 3.355 . 4.762 4.399 4.334 4.522 . 0 0 "[ . 1]" 3 553 2 93 ARG H 2 94 SER H 3.355 . 4.762 4.399 4.334 4.523 . 0 0 "[ . 1]" 3 554 1 22 LEU H 1 94 SER H 4.943 . 7.997 4.742 4.478 4.940 . 0 0 "[ . 1]" 3 555 2 22 LEU H 2 94 SER H 4.943 . 7.997 4.742 4.478 4.939 . 0 0 "[ . 1]" 3 556 1 22 LEU H 1 95 ALA H 3.041 . 4.197 3.912 3.581 4.135 . 0 0 "[ . 1]" 3 557 2 22 LEU H 2 95 ALA H 3.041 . 4.197 3.912 3.583 4.136 . 0 0 "[ . 1]" 3 558 1 55 ALA H 1 66 GLU H 3.050 . 4.213 3.706 3.006 4.544 0.331 10 0 "[ . 1]" 3 559 2 55 ALA H 2 66 GLU H 3.050 . 4.213 3.706 3.005 4.543 0.330 10 0 "[ . 1]" 3 560 1 12 GLU H 1 13 ARG H 3.056 . 4.224 4.324 4.223 4.427 0.203 2 0 "[ . 1]" 3 561 2 12 GLU H 2 13 ARG H 3.056 . 4.224 4.324 4.222 4.426 0.202 2 0 "[ . 1]" 3 562 1 81 LEU H 1 82 LEU H 2.794 . 3.770 2.300 2.278 2.323 . 0 0 "[ . 1]" 3 563 2 81 LEU H 2 82 LEU H 2.794 . 3.770 2.300 2.280 2.325 . 0 0 "[ . 1]" 3 564 1 46 LYS H 1 72 GLU H 2.922 . 3.989 3.277 3.085 3.489 . 0 0 "[ . 1]" 3 565 2 46 LYS H 2 72 GLU H 2.922 . 3.989 3.276 3.085 3.489 . 0 0 "[ . 1]" 3 566 1 72 GLU H 1 73 VAL H 3.719 . 5.447 4.401 4.369 4.446 . 0 0 "[ . 1]" 3 567 2 72 GLU H 2 73 VAL H 3.719 . 5.447 4.401 4.368 4.445 . 0 0 "[ . 1]" 3 568 1 79 ALA H 1 82 LEU H 4.006 . 6.012 4.718 4.674 4.763 . 0 0 "[ . 1]" 3 569 2 79 ALA H 2 82 LEU H 4.006 . 6.012 4.718 4.675 4.764 . 0 0 "[ . 1]" 3 570 1 85 VAL H 1 86 ARG H 2.683 . 3.583 2.550 2.474 2.652 . 0 0 "[ . 1]" 3 571 2 85 VAL H 2 86 ARG H 2.683 . 3.583 2.549 2.474 2.653 . 0 0 "[ . 1]" 3 572 1 15 GLY H 1 16 ASN H 2.298 . 2.958 2.190 1.966 2.288 . 0 0 "[ . 1]" 3 573 2 15 GLY H 2 16 ASN H 2.298 . 2.958 2.190 1.967 2.289 . 0 0 "[ . 1]" 3 574 1 23 PHE H 1 67 TYR H 3.354 . 4.760 2.546 1.679 3.450 0.269 10 0 "[ . 1]" 3 575 2 23 PHE H 2 67 TYR H 3.354 . 4.760 2.547 1.680 3.450 0.268 10 0 "[ . 1]" 3 576 1 77 ASP H 1 79 ALA H 3.602 . 5.224 4.741 4.638 4.819 . 0 0 "[ . 1]" 3 577 2 77 ASP H 2 79 ALA H 3.602 . 5.224 4.742 4.639 4.819 . 0 0 "[ . 1]" 3 578 1 84 SER H 1 85 VAL H 2.563 . 3.384 2.499 2.464 2.531 . 0 0 "[ . 1]" 3 579 2 84 SER H 2 85 VAL H 2.563 . 3.384 2.498 2.464 2.530 . 0 0 "[ . 1]" 3 580 1 42 THR H 1 43 PHE H 3.646 . 5.308 2.772 2.694 2.892 . 0 0 "[ . 1]" 3 581 2 42 THR H 2 43 PHE H 3.646 . 5.308 2.772 2.694 2.891 . 0 0 "[ . 1]" 3 582 1 89 SER H 1 90 ASP H 3.729 . 5.468 4.446 4.190 4.568 . 0 0 "[ . 1]" 3 583 2 89 SER H 2 90 ASP H 3.729 . 5.468 4.446 4.190 4.569 . 0 0 "[ . 1]" 3 584 1 82 LEU H 1 83 SER H 2.561 . 3.381 2.606 2.540 2.666 . 0 0 "[ . 1]" 3 585 2 82 LEU H 2 83 SER H 2.561 . 3.381 2.606 2.536 2.666 . 0 0 "[ . 1]" 3 586 1 94 SER H 1 95 ALA H 3.206 . 4.491 4.554 4.534 4.578 0.087 10 0 "[ . 1]" 3 587 2 94 SER H 2 95 ALA H 3.206 . 4.491 4.554 4.533 4.579 0.088 10 0 "[ . 1]" 3 588 1 11 GLU H 1 12 GLU H 3.430 . 4.901 4.265 3.916 4.444 . 0 0 "[ . 1]" 3 589 2 11 GLU H 2 12 GLU H 3.430 . 4.901 4.265 3.914 4.444 . 0 0 "[ . 1]" 3 590 1 45 ALA H 1 46 LYS H 3.408 . 4.859 4.616 4.584 4.648 . 0 0 "[ . 1]" 3 591 2 45 ALA H 2 46 LYS H 3.408 . 4.859 4.615 4.583 4.648 . 0 0 "[ . 1]" 3 592 1 19 LEU H 1 73 VAL H 3.793 . 5.592 5.201 5.051 5.396 . 0 0 "[ . 1]" 3 593 2 19 LEU H 2 73 VAL H 3.793 . 5.592 5.201 5.050 5.395 . 0 0 "[ . 1]" 3 594 1 90 ASP H 1 91 ASP H 3.002 . 4.128 2.467 1.714 3.398 0.162 8 0 "[ . 1]" 3 595 2 90 ASP H 2 91 ASP H 3.002 . 4.128 2.467 1.715 3.397 0.161 8 0 "[ . 1]" 3 596 1 91 ASP H 1 92 VAL H 2.671 . 3.563 2.643 1.635 3.330 0.144 9 0 "[ . 1]" 3 597 2 91 ASP H 2 92 VAL H 2.671 . 3.563 2.642 1.634 3.328 0.145 9 0 "[ . 1]" 3 598 1 7 ALA H 1 8 VAL H 2.351 . 3.042 2.205 1.647 2.826 0.013 6 0 "[ . 1]" 3 599 2 7 ALA H 2 8 VAL H 2.351 . 3.042 2.205 1.648 2.825 0.012 6 0 "[ . 1]" 3 600 1 8 VAL H 1 9 VAL H 3.055 . 4.222 3.918 3.145 4.469 0.247 9 0 "[ . 1]" 3 601 2 8 VAL H 2 9 VAL H 3.055 . 4.222 3.918 3.145 4.471 0.249 9 0 "[ . 1]" 3 602 1 92 VAL H 1 93 ARG H 3.827 . 5.658 4.420 4.328 4.500 . 0 0 "[ . 1]" 3 603 2 92 VAL H 2 93 ARG H 3.827 . 5.658 4.420 4.329 4.501 . 0 0 "[ . 1]" 3 604 1 16 ASN H 1 17 ALA H 3.490 . 5.013 4.339 4.294 4.382 . 0 0 "[ . 1]" 3 605 2 16 ASN H 2 17 ALA H 3.490 . 5.013 4.339 4.293 4.383 . 0 0 "[ . 1]" 3 606 1 10 PHE H 1 11 GLU H 3.642 . 5.300 4.334 4.194 4.398 . 0 0 "[ . 1]" 3 607 2 10 PHE H 2 11 GLU H 3.642 . 5.300 4.334 4.193 4.397 . 0 0 "[ . 1]" 3 608 1 79 ALA H 1 80 ALA H 2.432 . 3.171 2.733 2.721 2.754 . 0 0 "[ . 1]" 3 609 2 79 ALA H 2 80 ALA H 2.432 . 3.171 2.734 2.722 2.755 . 0 0 "[ . 1]" 3 610 1 44 GLU H 1 45 ALA H 2.542 . 3.350 2.839 2.798 2.923 . 0 0 "[ . 1]" 3 611 2 44 GLU H 2 45 ALA H 2.542 . 3.350 2.838 2.797 2.925 . 0 0 "[ . 1]" 3 612 1 86 ARG H 1 87 ARG H 2.889 . 3.932 2.180 2.106 2.240 . 0 0 "[ . 1]" 3 613 2 86 ARG H 2 87 ARG H 2.889 . 3.932 2.180 2.108 2.240 . 0 0 "[ . 1]" 3 614 1 6 GLU H 1 7 ALA H 3.200 . 4.480 4.265 2.819 4.563 0.083 2 0 "[ . 1]" 3 615 2 6 GLU H 2 7 ALA H 3.200 . 4.480 4.265 2.818 4.563 0.083 2 0 "[ . 1]" 3 616 1 80 ALA H 1 81 LEU H 2.406 . 3.130 2.729 2.718 2.743 . 0 0 "[ . 1]" 3 617 2 80 ALA H 2 81 LEU H 2.406 . 3.130 2.729 2.719 2.743 . 0 0 "[ . 1]" 3 618 1 79 ALA H 1 81 LEU H 3.409 . 4.862 4.719 4.702 4.740 . 0 0 "[ . 1]" 3 619 2 79 ALA H 2 81 LEU H 3.409 . 4.862 4.719 4.701 4.740 . 0 0 "[ . 1]" 3 620 1 84 SER H 1 86 ARG H 3.100 . 4.301 3.719 3.612 3.929 . 0 0 "[ . 1]" 3 621 2 84 SER H 2 86 ARG H 3.100 . 4.301 3.719 3.611 3.931 . 0 0 "[ . 1]" 3 622 1 16 ASN H 1 16 ASN HD21 2.653 . 3.533 3.430 3.060 3.593 0.060 6 0 "[ . 1]" 3 623 2 16 ASN H 2 16 ASN HD21 2.653 . 3.533 3.431 3.064 3.593 0.060 6 0 "[ . 1]" 3 624 1 5 LEU H 1 6 GLU H 2.164 . 2.749 2.501 2.036 2.812 0.063 9 0 "[ . 1]" 3 625 2 5 LEU H 2 6 GLU H 2.164 . 2.749 2.501 2.035 2.813 0.064 9 0 "[ . 1]" 3 626 1 87 ARG H 1 88 VAL H 2.771 . 3.731 2.304 2.226 2.362 . 0 0 "[ . 1]" 3 627 2 87 ARG H 2 88 VAL H 2.771 . 3.731 2.304 2.223 2.361 . 0 0 "[ . 1]" 3 628 1 20 ASN H 1 95 ALA H 4.183 . 6.370 3.554 3.266 3.875 . 0 0 "[ . 1]" 3 629 2 20 ASN H 2 95 ALA H 4.183 . 6.370 3.553 3.267 3.876 . 0 0 "[ . 1]" 3 630 1 20 ASN H 1 20 ASN HD21 3.880 . 5.762 3.548 1.898 5.034 0.100 10 0 "[ . 1]" 3 631 2 20 ASN H 2 20 ASN HD21 3.880 . 5.762 3.547 1.899 5.033 0.099 10 0 "[ . 1]" 3 632 1 87 ARG H 1 89 SER H 2.836 . 3.841 3.807 3.615 3.917 0.076 4 0 "[ . 1]" 3 633 2 87 ARG H 2 89 SER H 2.836 . 3.841 3.807 3.614 3.917 0.076 4 0 "[ . 1]" 3 634 1 85 VAL H 1 87 ARG H 3.619 . 5.256 3.684 3.622 3.735 . 0 0 "[ . 1]" 3 635 2 85 VAL H 2 87 ARG H 3.619 . 5.256 3.684 3.623 3.734 . 0 0 "[ . 1]" 3 636 1 43 PHE HD2 1 81 LEU H 3.300 . 4.662 3.478 3.445 3.553 . 0 0 "[ . 1]" 3 637 2 43 PHE HD2 2 81 LEU H 3.300 . 4.662 3.478 3.447 3.551 . 0 0 "[ . 1]" 3 638 1 78 LEU H 1 80 ALA H 3.418 . 4.879 3.569 3.531 3.598 . 0 0 "[ . 1]" 3 639 2 78 LEU H 2 80 ALA H 3.418 . 4.879 3.569 3.533 3.597 . 0 0 "[ . 1]" 3 640 1 43 PHE H 1 45 ALA H 3.626 . 5.269 3.578 3.551 3.608 . 0 0 "[ . 1]" 3 641 2 43 PHE H 2 45 ALA H 3.626 . 5.269 3.578 3.551 3.606 . 0 0 "[ . 1]" 3 642 1 34 SER H 1 35 ARG H 4.824 . 7.733 2.766 2.495 2.842 . 0 0 "[ . 1]" 3 643 2 34 SER H 2 35 ARG H 4.824 . 7.733 2.767 2.495 2.845 . 0 0 "[ . 1]" 3 644 1 88 VAL H 1 89 SER H 2.382 . 3.091 2.095 1.830 2.307 . 0 0 "[ . 1]" 3 645 2 88 VAL H 2 89 SER H 2.382 . 3.091 2.096 1.834 2.306 . 0 0 "[ . 1]" 3 646 1 43 PHE H 1 44 GLU H 2.635 . 3.503 2.664 2.585 2.753 . 0 0 "[ . 1]" 3 647 2 43 PHE H 2 44 GLU H 2.635 . 3.503 2.664 2.588 2.751 . 0 0 "[ . 1]" 3 648 1 16 ASN H 1 16 ASN HD22 3.306 . 4.672 4.004 3.832 4.351 . 0 0 "[ . 1]" 3 649 2 16 ASN H 2 16 ASN HD22 3.306 . 4.672 4.004 3.836 4.347 . 0 0 "[ . 1]" 3 650 1 68 PHE QD 1 69 VAL H 3.071 . 4.250 1.967 1.861 2.179 0.031 7 0 "[ . 1]" 3 651 2 68 PHE QD 2 69 VAL H 3.071 . 4.250 1.967 1.861 2.178 0.031 6 0 "[ . 1]" 3 652 1 19 LEU H 1 71 PHE HD1 4.056 . 6.112 4.645 3.884 4.893 . 0 0 "[ . 1]" 3 653 2 19 LEU H 2 71 PHE HD1 4.056 . 6.112 4.645 3.883 4.892 . 0 0 "[ . 1]" 3 654 1 71 PHE H 1 71 PHE HD1 2.663 . 3.549 2.370 2.099 2.533 . 0 0 "[ . 1]" 3 655 2 71 PHE H 2 71 PHE HD1 2.663 . 3.549 2.370 2.097 2.532 . 0 0 "[ . 1]" 3 656 1 21 LEU H 1 68 PHE QD 3.577 . 5.176 3.994 3.691 4.336 . 0 0 "[ . 1]" 3 657 2 21 LEU H 2 68 PHE QD 3.577 . 5.176 3.992 3.692 4.338 . 0 0 "[ . 1]" 3 658 1 22 LEU H 1 68 PHE QD 3.897 . 5.795 5.482 5.307 5.650 . 0 0 "[ . 1]" 3 659 2 22 LEU H 2 68 PHE QD 3.897 . 5.795 5.482 5.307 5.655 . 0 0 "[ . 1]" 3 660 1 68 PHE H 1 68 PHE QD 3.685 . 5.383 4.222 4.189 4.331 . 0 0 "[ . 1]" 3 661 2 68 PHE H 2 68 PHE QD 3.685 . 5.383 4.223 4.189 4.332 . 0 0 "[ . 1]" 3 662 1 10 PHE QD 1 18 VAL H 3.136 . 4.365 4.264 3.922 4.396 0.031 7 0 "[ . 1]" 3 663 2 10 PHE QD 2 18 VAL H 3.136 . 4.365 4.263 3.921 4.395 0.030 7 0 "[ . 1]" 3 664 1 10 PHE QD 1 11 GLU H 2.729 . 3.660 3.001 2.603 3.249 . 0 0 "[ . 1]" 3 665 2 10 PHE QD 2 11 GLU H 2.729 . 3.660 3.001 2.605 3.249 . 0 0 "[ . 1]" 3 666 1 78 LEU H 1 79 ALA H 2.580 . 3.412 2.864 2.836 2.889 . 0 0 "[ . 1]" 3 667 2 78 LEU H 2 79 ALA H 2.580 . 3.412 2.865 2.838 2.890 . 0 0 "[ . 1]" 3 668 1 39 VAL H 1 40 PHE H 2.996 . 4.118 2.782 2.753 2.807 . 0 0 "[ . 1]" 3 669 2 39 VAL H 2 40 PHE H 2.996 . 4.118 2.782 2.754 2.807 . 0 0 "[ . 1]" 3 670 1 77 ASP H 1 78 LEU H 2.412 . 3.139 2.360 2.299 2.402 . 0 0 "[ . 1]" 3 671 2 77 ASP H 2 78 LEU H 2.412 . 3.139 2.360 2.300 2.402 . 0 0 "[ . 1]" 3 672 1 23 PHE QD 1 24 SER H 3.464 . 4.964 2.387 1.286 3.879 0.678 5 2 "[ -+ 1]" 3 673 2 23 PHE QD 2 24 SER H 3.464 . 4.964 2.387 1.285 3.878 0.679 5 2 "[ -+ 1]" 3 674 1 23 PHE H 1 23 PHE QD 3.896 . 5.794 4.372 4.083 4.498 . 0 0 "[ . 1]" 3 675 2 23 PHE H 2 23 PHE QD 3.896 . 5.794 4.372 4.084 4.498 . 0 0 "[ . 1]" 3 676 1 67 TYR QD 1 68 PHE H 3.524 . 5.076 4.460 4.196 4.785 . 0 0 "[ . 1]" 3 677 2 67 TYR QD 2 68 PHE H 3.524 . 5.076 4.460 4.197 4.784 . 0 0 "[ . 1]" 3 678 1 67 TYR H 1 67 TYR QD 2.535 . 3.338 3.170 2.448 3.610 0.272 6 0 "[ . 1]" 3 679 2 67 TYR H 2 67 TYR QD 2.535 . 3.338 3.170 2.447 3.612 0.274 6 0 "[ . 1]" 3 680 1 40 PHE H 1 40 PHE HD2 2.619 . 3.476 3.462 3.316 3.519 0.043 3 0 "[ . 1]" 3 681 2 40 PHE H 2 40 PHE HD2 2.619 . 3.476 3.462 3.315 3.518 0.042 3 0 "[ . 1]" 3 682 1 19 LEU H 1 72 GLU HA 3.033 . 4.183 3.465 3.290 3.602 . 0 0 "[ . 1]" 3 683 2 19 LEU H 2 72 GLU HA 3.033 . 4.183 3.465 3.291 3.603 . 0 0 "[ . 1]" 3 684 1 72 GLU HA 1 73 VAL H 2.370 . 3.072 2.217 2.189 2.247 . 0 0 "[ . 1]" 3 685 2 72 GLU HA 2 73 VAL H 2.370 . 3.072 2.217 2.189 2.247 . 0 0 "[ . 1]" 3 686 1 22 LEU HA 1 23 PHE H 2.402 . 3.123 2.300 2.163 2.394 . 0 0 "[ . 1]" 3 687 2 22 LEU HA 2 23 PHE H 2.402 . 3.123 2.300 2.164 2.394 . 0 0 "[ . 1]" 3 688 1 50 LEU HA 1 70 ARG H 3.379 . 4.806 3.038 2.875 3.238 . 0 0 "[ . 1]" 3 689 2 50 LEU HA 2 70 ARG H 3.379 . 4.806 3.038 2.876 3.239 . 0 0 "[ . 1]" 3 690 1 19 LEU H 1 71 PHE HA 3.776 . 5.558 4.856 4.734 5.069 . 0 0 "[ . 1]" 3 691 2 19 LEU H 2 71 PHE HA 3.776 . 5.558 4.856 4.734 5.069 . 0 0 "[ . 1]" 3 692 1 20 ASN HA 1 71 PHE H 2.639 . 3.509 3.392 3.149 3.515 0.006 8 0 "[ . 1]" 3 693 2 20 ASN HA 2 71 PHE H 2.639 . 3.509 3.392 3.150 3.515 0.006 8 0 "[ . 1]" 3 694 1 20 ASN HA 1 21 LEU H 2.488 . 3.262 2.369 2.251 2.445 . 0 0 "[ . 1]" 3 695 2 20 ASN HA 2 21 LEU H 2.488 . 3.262 2.370 2.248 2.445 . 0 0 "[ . 1]" 3 696 1 50 LEU HA 1 51 GLU H 2.420 . 3.152 2.189 2.114 2.214 . 0 0 "[ . 1]" 3 697 2 50 LEU HA 2 51 GLU H 2.420 . 3.152 2.189 2.113 2.214 . 0 0 "[ . 1]" 3 698 1 49 HIS H 1 71 PHE HA 3.158 . 4.405 3.928 3.741 4.014 . 0 0 "[ . 1]" 3 699 2 49 HIS H 2 71 PHE HA 3.158 . 4.405 3.928 3.742 4.016 . 0 0 "[ . 1]" 3 700 1 71 PHE HA 1 72 GLU H 2.579 . 3.410 2.384 2.340 2.420 . 0 0 "[ . 1]" 3 701 2 71 PHE HA 2 72 GLU H 2.579 . 3.410 2.384 2.339 2.419 . 0 0 "[ . 1]" 3 702 1 20 ASN H 1 20 ASN HA 2.842 . 3.852 2.945 2.932 2.959 . 0 0 "[ . 1]" 3 703 2 20 ASN H 2 20 ASN HA 2.842 . 3.852 2.945 2.931 2.959 . 0 0 "[ . 1]" 3 704 1 23 PHE H 1 68 PHE HA 3.440 . 4.920 4.921 4.720 5.059 0.139 8 0 "[ . 1]" 3 705 2 23 PHE H 2 68 PHE HA 3.440 . 4.920 4.921 4.720 5.058 0.138 8 0 "[ . 1]" 3 706 1 51 GLU HA 1 52 THR H 2.480 . 3.249 2.241 2.132 2.314 . 0 0 "[ . 1]" 3 707 2 51 GLU HA 2 52 THR H 2.480 . 3.249 2.241 2.132 2.312 . 0 0 "[ . 1]" 3 708 1 23 PHE HA 1 93 ARG H 3.656 . 5.327 4.306 4.023 4.716 . 0 0 "[ . 1]" 3 709 2 23 PHE HA 2 93 ARG H 3.656 . 5.327 4.306 4.023 4.716 . 0 0 "[ . 1]" 3 710 1 12 GLU HA 1 13 ARG H 2.069 . 2.604 2.157 2.042 2.625 0.021 8 0 "[ . 1]" 3 711 2 12 GLU HA 2 13 ARG H 2.069 . 2.604 2.157 2.043 2.626 0.022 8 0 "[ . 1]" 3 712 1 68 PHE HA 1 69 VAL H 2.319 . 2.991 2.167 2.139 2.185 . 0 0 "[ . 1]" 3 713 2 68 PHE HA 2 69 VAL H 2.319 . 2.991 2.167 2.140 2.185 . 0 0 "[ . 1]" 3 714 1 16 ASN HA 1 17 ALA H 2.475 . 3.240 2.534 2.366 2.666 . 0 0 "[ . 1]" 3 715 2 16 ASN HA 2 17 ALA H 2.475 . 3.240 2.534 2.367 2.665 . 0 0 "[ . 1]" 3 716 1 12 GLU H 1 12 GLU HA 2.576 . 3.406 2.835 2.602 2.924 . 0 0 "[ . 1]" 3 717 2 12 GLU H 2 12 GLU HA 2.576 . 3.406 2.835 2.600 2.925 . 0 0 "[ . 1]" 3 718 1 21 LEU HA 1 22 LEU H 2.522 . 3.317 2.155 2.107 2.198 . 0 0 "[ . 1]" 3 719 2 21 LEU HA 2 22 LEU H 2.522 . 3.317 2.154 2.106 2.197 . 0 0 "[ . 1]" 3 720 1 16 ASN HA 1 73 VAL H 3.422 . 4.886 4.856 4.561 4.998 0.112 8 0 "[ . 1]" 3 721 2 16 ASN HA 2 73 VAL H 3.422 . 4.886 4.857 4.561 4.996 0.110 8 0 "[ . 1]" 3 722 1 12 GLU HA 1 18 VAL H 3.016 . 4.153 2.644 1.939 3.051 . 0 0 "[ . 1]" 3 723 2 12 GLU HA 2 18 VAL H 3.016 . 4.153 2.644 1.938 3.051 . 0 0 "[ . 1]" 3 724 1 74 PRO HA 1 75 SER H 2.332 . 3.012 2.167 2.145 2.193 . 0 0 "[ . 1]" 3 725 2 74 PRO HA 2 75 SER H 2.332 . 3.012 2.167 2.145 2.192 . 0 0 "[ . 1]" 3 726 1 16 ASN H 1 16 ASN HA 2.416 . 3.145 2.913 2.896 2.929 . 0 0 "[ . 1]" 3 727 2 16 ASN H 2 16 ASN HA 2.416 . 3.145 2.913 2.896 2.930 . 0 0 "[ . 1]" 3 728 1 24 SER HA 1 67 TYR H 3.778 . 5.562 4.514 3.626 5.662 0.100 6 0 "[ . 1]" 3 729 2 24 SER HA 2 67 TYR H 3.778 . 5.562 4.514 3.627 5.662 0.100 6 0 "[ . 1]" 3 730 1 23 PHE HA 1 24 SER H 2.654 . 3.534 2.214 2.096 2.325 . 0 0 "[ . 1]" 3 731 2 23 PHE HA 2 24 SER H 2.654 . 3.534 2.214 2.095 2.326 . 0 0 "[ . 1]" 3 732 1 13 ARG H 1 17 ALA HA 2.746 . 3.689 2.938 2.781 3.382 . 0 0 "[ . 1]" 3 733 2 13 ARG H 2 17 ALA HA 2.746 . 3.689 2.938 2.783 3.380 . 0 0 "[ . 1]" 3 734 1 18 VAL HA 1 19 LEU H 3.054 . 4.220 2.164 2.140 2.251 . 0 0 "[ . 1]" 3 735 2 18 VAL HA 2 19 LEU H 3.054 . 4.220 2.164 2.140 2.249 . 0 0 "[ . 1]" 3 736 1 17 ALA H 1 74 PRO HA 2.823 . 3.819 3.481 3.418 3.529 . 0 0 "[ . 1]" 3 737 2 17 ALA H 2 74 PRO HA 2.823 . 3.819 3.481 3.419 3.530 . 0 0 "[ . 1]" 3 738 1 12 GLU H 1 17 ALA HA 3.232 . 4.538 4.093 3.459 4.354 . 0 0 "[ . 1]" 3 739 2 12 GLU H 2 17 ALA HA 3.232 . 4.538 4.093 3.459 4.356 . 0 0 "[ . 1]" 3 740 1 77 ASP HA 1 81 LEU H 3.634 . 5.285 4.267 4.188 4.343 . 0 0 "[ . 1]" 3 741 2 77 ASP HA 2 81 LEU H 3.634 . 5.285 4.266 4.188 4.342 . 0 0 "[ . 1]" 3 742 1 52 THR HA 1 68 PHE H 3.364 . 4.779 3.286 2.678 4.904 0.125 2 0 "[ . 1]" 3 743 2 52 THR HA 2 68 PHE H 3.364 . 4.779 3.287 2.678 4.907 0.128 2 0 "[ . 1]" 3 744 1 46 LYS H 1 73 VAL HA 3.643 . 5.302 3.576 3.484 3.694 . 0 0 "[ . 1]" 3 745 2 46 LYS H 2 73 VAL HA 3.643 . 5.302 3.576 3.484 3.694 . 0 0 "[ . 1]" 3 746 1 45 ALA HA 1 46 LYS H 2.687 . 3.589 2.546 2.481 2.621 . 0 0 "[ . 1]" 3 747 2 45 ALA HA 2 46 LYS H 2.687 . 3.589 2.546 2.483 2.620 . 0 0 "[ . 1]" 3 748 1 77 ASP HA 1 80 ALA H 2.916 . 3.979 3.018 2.983 3.073 . 0 0 "[ . 1]" 3 749 2 77 ASP HA 2 80 ALA H 2.916 . 3.979 3.019 2.983 3.074 . 0 0 "[ . 1]" 3 750 1 17 ALA HA 1 18 VAL H 2.314 . 2.983 2.018 1.930 2.122 . 0 0 "[ . 1]" 3 751 2 17 ALA HA 2 18 VAL H 2.314 . 2.983 2.018 1.932 2.122 . 0 0 "[ . 1]" 3 752 1 90 ASP H 1 90 ASP HA 2.835 . 3.840 2.873 2.803 2.932 . 0 0 "[ . 1]" 3 753 2 90 ASP H 2 90 ASP HA 2.835 . 3.840 2.873 2.802 2.932 . 0 0 "[ . 1]" 3 754 1 89 SER HA 1 90 ASP H 2.803 . 3.785 2.431 2.253 2.969 . 0 0 "[ . 1]" 3 755 2 89 SER HA 2 90 ASP H 2.803 . 3.785 2.431 2.253 2.969 . 0 0 "[ . 1]" 3 756 1 10 PHE HA 1 11 GLU H 2.249 . 2.881 2.401 2.259 2.535 . 0 0 "[ . 1]" 3 757 2 10 PHE HA 2 11 GLU H 2.249 . 2.881 2.401 2.261 2.536 . 0 0 "[ . 1]" 3 758 1 64 HIS HA 1 65 LEU H 2.640 . 3.511 2.495 2.150 2.956 . 0 0 "[ . 1]" 3 759 2 64 HIS HA 2 65 LEU H 2.640 . 3.511 2.495 2.150 2.955 . 0 0 "[ . 1]" 3 760 1 10 PHE H 1 10 PHE HA 2.647 . 3.523 2.876 2.791 2.927 . 0 0 "[ . 1]" 3 761 2 10 PHE H 2 10 PHE HA 2.647 . 3.523 2.876 2.794 2.927 . 0 0 "[ . 1]" 3 762 1 77 ASP HA 1 78 LEU H 2.721 . 3.646 3.363 3.324 3.399 . 0 0 "[ . 1]" 3 763 2 77 ASP HA 2 78 LEU H 2.721 . 3.646 3.363 3.323 3.400 . 0 0 "[ . 1]" 3 764 1 52 THR HA 1 53 ARG H 2.225 . 2.844 2.252 2.119 2.737 . 0 0 "[ . 1]" 3 765 2 52 THR HA 2 53 ARG H 2.225 . 2.844 2.251 2.119 2.737 . 0 0 "[ . 1]" 3 766 1 77 ASP HA 1 79 ALA H 3.294 . 4.650 4.621 4.598 4.672 0.022 7 0 "[ . 1]" 3 767 2 77 ASP HA 2 79 ALA H 3.294 . 4.650 4.622 4.599 4.673 0.023 7 0 "[ . 1]" 3 768 1 16 ASN H 1 74 PRO HA 3.480 . 4.994 4.773 4.600 4.971 . 0 0 "[ . 1]" 3 769 2 16 ASN H 2 74 PRO HA 3.480 . 4.994 4.772 4.600 4.970 . 0 0 "[ . 1]" 3 770 1 45 ALA H 1 45 ALA HA 2.998 . 4.122 2.841 2.827 2.855 . 0 0 "[ . 1]" 3 771 2 45 ALA H 2 45 ALA HA 2.998 . 4.122 2.841 2.827 2.855 . 0 0 "[ . 1]" 3 772 1 90 ASP HA 1 91 ASP H 2.727 . 3.656 3.531 3.443 3.595 . 0 0 "[ . 1]" 3 773 2 90 ASP HA 2 91 ASP H 2.727 . 3.656 3.530 3.442 3.595 . 0 0 "[ . 1]" 3 774 1 77 ASP H 1 77 ASP HA 2.361 . 3.058 2.875 2.838 2.893 . 0 0 "[ . 1]" 3 775 2 77 ASP H 2 77 ASP HA 2.361 . 3.058 2.875 2.837 2.893 . 0 0 "[ . 1]" 3 776 1 74 PRO HA 1 77 ASP H 3.823 . 5.650 4.348 4.312 4.392 . 0 0 "[ . 1]" 3 777 2 74 PRO HA 2 77 ASP H 3.823 . 5.650 4.348 4.312 4.394 . 0 0 "[ . 1]" 3 778 1 62 SER H 1 62 SER HA 2.838 . 3.845 2.888 2.714 2.944 . 0 0 "[ . 1]" 3 779 2 62 SER H 2 62 SER HA 2.838 . 3.845 2.888 2.715 2.944 . 0 0 "[ . 1]" 3 780 1 94 SER H 1 94 SER HA 2.893 . 3.939 2.879 2.840 2.905 . 0 0 "[ . 1]" 3 781 2 94 SER H 2 94 SER HA 2.893 . 3.939 2.879 2.840 2.904 . 0 0 "[ . 1]" 3 782 1 93 ARG HA 1 94 SER H 2.627 . 3.489 2.538 2.420 2.702 . 0 0 "[ . 1]" 3 783 2 93 ARG HA 2 94 SER H 2.627 . 3.489 2.538 2.420 2.705 . 0 0 "[ . 1]" 3 784 2 10 PHE HA 2 20 ASN H 3.147 . 4.385 4.749 4.477 6.462 2.077 2 1 "[ + . 1]" 3 785 1 94 SER HA 1 95 ALA H 2.245 . 2.875 2.422 2.160 2.576 . 0 0 "[ . 1]" 3 786 2 94 SER HA 2 95 ALA H 2.245 . 2.875 2.422 2.162 2.574 . 0 0 "[ . 1]" 3 787 1 13 ARG HA 1 14 ASP H 2.929 . 4.001 2.182 2.135 2.218 . 0 0 "[ . 1]" 3 788 2 13 ARG HA 2 14 ASP H 2.929 . 4.001 2.181 2.137 2.217 . 0 0 "[ . 1]" 3 789 1 13 ARG H 1 13 ARG HA 2.581 . 3.414 2.896 2.765 2.915 . 0 0 "[ . 1]" 3 790 2 13 ARG H 2 13 ARG HA 2.581 . 3.414 2.896 2.764 2.916 . 0 0 "[ . 1]" 3 791 1 19 LEU H 1 19 LEU HA 2.901 . 3.953 2.859 2.826 2.881 . 0 0 "[ . 1]" 3 792 2 19 LEU H 2 19 LEU HA 2.901 . 3.953 2.858 2.827 2.880 . 0 0 "[ . 1]" 3 793 1 55 ALA H 1 65 LEU HA 3.000 . 4.125 2.559 1.856 4.020 0.019 1 0 "[ . 1]" 3 794 2 55 ALA H 2 65 LEU HA 3.000 . 4.125 2.558 1.856 4.020 0.019 1 0 "[ . 1]" 3 795 1 54 PRO HA 1 55 ALA H 2.113 . 2.671 2.216 2.036 2.654 . 0 0 "[ . 1]" 3 796 2 54 PRO HA 2 55 ALA H 2.113 . 2.671 2.216 2.036 2.653 . 0 0 "[ . 1]" 3 797 1 31 SER HA 1 33 LEU H 2.994 . 4.114 3.866 3.312 4.173 0.059 8 0 "[ . 1]" 3 798 2 31 SER HA 2 33 LEU H 2.994 . 4.114 3.849 3.307 4.175 0.061 8 0 "[ . 1]" 3 799 1 11 GLU HA 1 12 GLU H 1.983 . 2.474 2.465 2.058 3.069 0.595 8 1 "[ . + 1]" 3 800 2 11 GLU HA 2 12 GLU H 1.983 . 2.474 2.464 2.059 3.069 0.595 8 1 "[ . + 1]" 3 801 1 67 TYR HA 1 68 PHE H 2.545 . 3.355 2.170 2.058 2.476 . 0 0 "[ . 1]" 3 802 2 67 TYR HA 2 68 PHE H 2.545 . 3.355 2.170 2.058 2.478 . 0 0 "[ . 1]" 3 803 1 46 LYS H 1 46 LYS HA 2.754 . 3.702 2.939 2.922 2.946 . 0 0 "[ . 1]" 3 804 2 46 LYS H 2 46 LYS HA 2.754 . 3.702 2.939 2.922 2.945 . 0 0 "[ . 1]" 3 805 1 10 PHE H 1 11 GLU HA 3.490 . 5.013 4.724 4.592 4.966 . 0 0 "[ . 1]" 3 806 2 10 PHE H 2 11 GLU HA 3.490 . 5.013 4.725 4.594 4.968 . 0 0 "[ . 1]" 3 807 1 65 LEU HA 1 66 GLU H 2.803 . 3.785 2.308 2.101 2.587 . 0 0 "[ . 1]" 3 808 2 65 LEU HA 2 66 GLU H 2.803 . 3.785 2.308 2.099 2.587 . 0 0 "[ . 1]" 3 809 1 66 GLU H 1 66 GLU HA 2.812 . 3.800 2.867 2.728 2.939 . 0 0 "[ . 1]" 3 810 2 66 GLU H 2 66 GLU HA 2.812 . 3.800 2.867 2.727 2.940 . 0 0 "[ . 1]" 3 811 1 91 ASP HA 1 92 VAL H 2.342 . 3.028 2.930 2.655 3.445 0.417 8 0 "[ . 1]" 3 812 2 91 ASP HA 2 92 VAL H 2.342 . 3.028 2.929 2.654 3.444 0.416 8 0 "[ . 1]" 3 813 1 13 ARG HA 1 16 ASN H 3.354 . 4.760 4.289 4.188 4.407 . 0 0 "[ . 1]" 3 814 2 13 ARG HA 2 16 ASN H 3.354 . 4.760 4.289 4.188 4.409 . 0 0 "[ . 1]" 3 815 1 91 ASP H 1 91 ASP HA 2.431 . 3.170 2.908 2.849 2.931 . 0 0 "[ . 1]" 3 816 2 91 ASP H 2 91 ASP HA 2.431 . 3.170 2.908 2.849 2.931 . 0 0 "[ . 1]" 3 817 1 31 SER HA 1 32 SER H 2.753 . 3.701 3.056 2.771 3.561 . 0 0 "[ . 1]" 3 818 2 31 SER HA 2 32 SER H 2.753 . 3.701 3.055 2.770 3.560 . 0 0 "[ . 1]" 3 819 1 19 LEU HA 1 20 ASN H 2.499 . 3.280 2.585 2.474 2.635 . 0 0 "[ . 1]" 3 820 2 19 LEU HA 2 20 ASN H 2.499 . 3.280 2.585 2.473 2.634 . 0 0 "[ . 1]" 3 821 1 14 ASP H 1 14 ASP HA 2.888 . 3.930 2.285 2.279 2.293 . 0 0 "[ . 1]" 3 822 2 14 ASP H 2 14 ASP HA 2.888 . 3.930 2.285 2.279 2.294 . 0 0 "[ . 1]" 3 823 1 55 ALA H 1 55 ALA HA 2.462 . 3.220 2.848 2.757 2.921 . 0 0 "[ . 1]" 3 824 2 55 ALA H 2 55 ALA HA 2.462 . 3.220 2.848 2.757 2.920 . 0 0 "[ . 1]" 3 825 1 8 VAL HA 1 9 VAL H 2.021 . 2.531 2.377 2.105 2.736 0.205 5 0 "[ . 1]" 3 826 2 8 VAL HA 2 9 VAL H 2.021 . 2.531 2.377 2.106 2.736 0.205 5 0 "[ . 1]" 3 827 1 9 VAL H 1 94 SER QB 2.520 . 3.314 2.745 2.043 4.454 1.140 9 1 "[ . +1]" 3 828 2 9 VAL H 2 94 SER QB 2.520 . 3.314 2.745 2.043 4.454 1.140 9 1 "[ . +1]" 3 829 1 15 GLY H 1 15 GLY HA3 2.366 . 3.066 2.933 2.927 2.944 . 0 0 "[ . 1]" 3 830 2 15 GLY H 2 15 GLY HA3 2.366 . 3.066 2.933 2.926 2.943 . 0 0 "[ . 1]" 3 831 1 59 LEU HA 1 60 ALA H 2.555 . 3.371 3.138 2.208 3.528 0.157 6 0 "[ . 1]" 3 832 2 59 LEU HA 2 60 ALA H 2.555 . 3.371 3.138 2.208 3.527 0.156 6 0 "[ . 1]" 3 833 1 6 GLU HA 1 7 ALA H 2.055 . 2.583 2.450 2.114 3.069 0.486 9 0 "[ . 1]" 3 834 2 6 GLU HA 2 7 ALA H 2.055 . 2.583 2.449 2.114 3.069 0.486 9 0 "[ . 1]" 3 835 1 84 SER HA 1 85 VAL H 2.976 . 4.083 3.533 3.523 3.555 . 0 0 "[ . 1]" 3 836 2 84 SER HA 2 85 VAL H 2.976 . 4.083 3.532 3.521 3.555 . 0 0 "[ . 1]" 3 837 1 24 SER QB 1 25 LEU H 3.244 . 4.560 3.078 2.087 3.636 . 0 0 "[ . 1]" 3 838 2 24 SER QB 2 25 LEU H 3.244 . 4.560 3.077 2.084 3.635 . 0 0 "[ . 1]" 3 839 1 56 GLN HA 1 57 ARG H 2.467 . 3.228 3.185 2.101 3.431 0.203 4 0 "[ . 1]" 3 840 2 56 GLN HA 2 57 ARG H 2.467 . 3.228 3.185 2.100 3.431 0.203 4 0 "[ . 1]" 3 841 1 5 LEU HA 1 6 GLU H 2.492 . 3.268 3.209 2.824 3.484 0.216 2 0 "[ . 1]" 3 842 2 5 LEU HA 2 6 GLU H 2.492 . 3.268 3.209 2.824 3.485 0.217 2 0 "[ . 1]" 3 843 1 6 GLU H 1 6 GLU HA 2.374 . 3.078 2.635 2.204 2.882 . 0 0 "[ . 1]" 3 844 2 6 GLU H 2 6 GLU HA 2.374 . 3.078 2.635 2.205 2.880 . 0 0 "[ . 1]" 3 845 1 55 ALA HA 1 56 GLN H 2.057 . 2.586 2.664 2.467 2.855 0.269 10 0 "[ . 1]" 3 846 2 55 ALA HA 2 56 GLN H 2.057 . 2.586 2.664 2.468 2.855 0.269 10 0 "[ . 1]" 3 847 1 9 VAL HA 1 10 PHE H 2.109 . 2.665 2.694 2.289 3.043 0.378 9 0 "[ . 1]" 3 848 2 9 VAL HA 2 10 PHE H 2.109 . 2.665 2.694 2.288 3.045 0.380 9 0 "[ . 1]" 3 849 1 41 GLU HA 1 42 THR H 2.789 . 3.762 3.497 3.453 3.542 . 0 0 "[ . 1]" 3 850 2 41 GLU HA 2 42 THR H 2.789 . 3.762 3.497 3.453 3.543 . 0 0 "[ . 1]" 3 851 1 15 GLY HA3 1 16 ASN H 2.433 . 3.173 3.457 3.400 3.497 0.324 6 0 "[ . 1]" 3 852 2 15 GLY HA3 2 16 ASN H 2.433 . 3.173 3.457 3.402 3.496 0.323 6 0 "[ . 1]" 3 853 1 41 GLU HA 1 45 ALA H 3.406 . 4.856 3.447 3.370 3.604 . 0 0 "[ . 1]" 3 854 2 41 GLU HA 2 45 ALA H 3.406 . 4.856 3.447 3.369 3.605 . 0 0 "[ . 1]" 3 855 1 5 LEU H 1 5 LEU HA 2.429 . 3.167 2.873 2.837 2.918 . 0 0 "[ . 1]" 3 856 2 5 LEU H 2 5 LEU HA 2.429 . 3.167 2.873 2.836 2.919 . 0 0 "[ . 1]" 3 857 1 41 GLU H 1 41 GLU HA 2.395 . 3.112 2.895 2.892 2.898 . 0 0 "[ . 1]" 3 858 2 41 GLU H 2 41 GLU HA 2.395 . 3.112 2.895 2.892 2.898 . 0 0 "[ . 1]" 3 859 1 43 PHE H 1 43 PHE HA 2.685 . 3.586 2.915 2.905 2.923 . 0 0 "[ . 1]" 3 860 2 43 PHE H 2 43 PHE HA 2.685 . 3.586 2.915 2.905 2.923 . 0 0 "[ . 1]" 3 861 1 42 THR HB 1 43 PHE H 2.810 . 3.797 3.828 3.758 3.914 0.117 7 0 "[ . 1]" 3 862 2 42 THR HB 2 43 PHE H 2.810 . 3.797 3.829 3.758 3.912 0.115 7 0 "[ . 1]" 3 863 1 60 ALA HA 1 62 SER H 3.668 . 5.349 3.578 3.121 4.412 . 0 0 "[ . 1]" 3 864 2 60 ALA HA 2 62 SER H 3.668 . 5.349 3.578 3.122 4.411 . 0 0 "[ . 1]" 3 865 1 61 GLY HA3 1 62 SER H 2.737 . 3.673 3.184 2.665 3.549 . 0 0 "[ . 1]" 3 866 2 61 GLY HA3 2 62 SER H 2.737 . 3.673 3.184 2.665 3.549 . 0 0 "[ . 1]" 3 867 1 8 VAL HA 1 94 SER H 2.796 . 3.773 2.904 1.894 5.000 1.227 9 1 "[ . +1]" 3 868 2 8 VAL HA 2 94 SER H 2.796 . 3.773 2.904 1.892 5.002 1.229 9 1 "[ . +1]" 3 869 1 94 SER H 1 94 SER QB 2.269 . 2.912 2.248 2.028 2.492 . 0 0 "[ . 1]" 3 870 2 94 SER H 2 94 SER QB 2.269 . 2.912 2.248 2.028 2.492 . 0 0 "[ . 1]" 3 871 1 86 ARG HA 1 89 SER H 2.913 . 3.974 3.161 2.842 3.486 . 0 0 "[ . 1]" 3 872 2 86 ARG HA 2 89 SER H 2.913 . 3.974 3.161 2.841 3.485 . 0 0 "[ . 1]" 3 873 1 40 PHE H 1 41 GLU HA 4.277 . 6.563 5.323 5.275 5.356 . 0 0 "[ . 1]" 3 874 2 40 PHE H 2 41 GLU HA 4.277 . 6.563 5.322 5.274 5.354 . 0 0 "[ . 1]" 3 875 1 43 PHE HA 1 44 GLU H 2.608 . 3.458 3.007 2.954 3.046 . 0 0 "[ . 1]" 3 876 2 43 PHE HA 2 44 GLU H 2.608 . 3.458 3.008 2.955 3.047 . 0 0 "[ . 1]" 3 877 1 41 GLU HA 1 44 GLU H 2.771 . 3.731 3.532 3.415 3.632 . 0 0 "[ . 1]" 3 878 2 41 GLU HA 2 44 GLU H 2.771 . 3.731 3.532 3.414 3.633 . 0 0 "[ . 1]" 3 879 1 87 ARG HA 1 88 VAL H 3.190 . 4.462 3.416 3.354 3.467 . 0 0 "[ . 1]" 3 880 2 87 ARG HA 2 88 VAL H 3.190 . 4.462 3.415 3.355 3.466 . 0 0 "[ . 1]" 3 881 1 95 ALA H 1 95 ALA HA 2.547 . 3.358 2.918 2.888 2.940 . 0 0 "[ . 1]" 3 882 2 95 ALA H 2 95 ALA HA 2.547 . 3.358 2.918 2.890 2.940 . 0 0 "[ . 1]" 3 883 1 26 ARG HA 1 27 GLY H 3.496 . 5.024 3.000 2.151 3.550 . 0 0 "[ . 1]" 3 884 2 26 ARG HA 2 27 GLY H 3.496 . 5.024 3.000 2.151 3.549 . 0 0 "[ . 1]" 3 885 1 27 GLY H 1 27 GLY HA2 2.932 . 4.007 2.521 2.291 2.867 . 0 0 "[ . 1]" 3 886 2 27 GLY H 2 27 GLY HA2 2.932 . 4.007 2.521 2.292 2.869 . 0 0 "[ . 1]" 3 887 1 13 ARG H 1 15 GLY HA2 4.026 . 6.052 5.215 4.448 5.564 . 0 0 "[ . 1]" 3 888 2 13 ARG H 2 15 GLY HA2 4.026 . 6.052 5.215 4.448 5.564 . 0 0 "[ . 1]" 3 889 1 32 SER QB 1 33 LEU H 3.278 . 4.621 3.933 3.862 4.050 . 0 0 "[ . 1]" 3 890 2 32 SER QB 2 33 LEU H 3.278 . 4.621 3.927 3.862 4.039 . 0 0 "[ . 1]" 3 891 1 17 ALA H 1 75 SER HA 2.705 . 3.620 3.450 3.243 3.583 . 0 0 "[ . 1]" 3 892 2 17 ALA H 2 75 SER HA 2.705 . 3.620 3.450 3.244 3.586 . 0 0 "[ . 1]" 3 893 1 15 GLY H 1 15 GLY HA2 2.356 . 3.050 2.388 2.378 2.416 . 0 0 "[ . 1]" 3 894 2 15 GLY H 2 15 GLY HA2 2.356 . 3.050 2.387 2.378 2.416 . 0 0 "[ . 1]" 3 895 1 83 SER HA 1 85 VAL H 3.093 . 4.289 4.359 4.316 4.425 0.136 7 0 "[ . 1]" 3 896 2 83 SER HA 2 85 VAL H 3.093 . 4.289 4.358 4.316 4.425 0.136 7 0 "[ . 1]" 3 897 1 84 SER QB 1 85 VAL H 2.722 . 3.648 2.393 2.356 2.468 . 0 0 "[ . 1]" 3 898 2 84 SER QB 2 85 VAL H 2.722 . 3.648 2.393 2.357 2.468 . 0 0 "[ . 1]" 3 899 1 80 ALA HA 1 81 LEU H 3.006 . 4.136 3.592 3.587 3.595 . 0 0 "[ . 1]" 3 900 2 80 ALA HA 2 81 LEU H 3.006 . 4.136 3.592 3.586 3.595 . 0 0 "[ . 1]" 3 901 1 80 ALA H 1 80 ALA HA 2.218 . 2.833 2.830 2.824 2.833 . 2 0 "[ . 1]" 3 902 2 80 ALA H 2 80 ALA HA 2.218 . 2.833 2.830 2.824 2.833 0.000 4 0 "[ . 1]" 3 903 1 79 ALA HA 1 80 ALA H 2.928 . 4.000 3.456 3.449 3.459 . 0 0 "[ . 1]" 3 904 2 79 ALA HA 2 80 ALA H 2.928 . 4.000 3.457 3.450 3.462 . 0 0 "[ . 1]" 3 905 1 75 SER H 1 75 SER HA 2.190 . 2.790 2.742 2.725 2.755 . 0 0 "[ . 1]" 3 906 2 75 SER H 2 75 SER HA 2.190 . 2.790 2.743 2.724 2.755 . 0 0 "[ . 1]" 3 907 1 89 SER QB 1 90 ASP H 3.121 . 4.338 2.600 2.041 3.467 . 0 0 "[ . 1]" 3 908 2 89 SER QB 2 90 ASP H 3.121 . 4.338 2.600 2.044 3.467 . 0 0 "[ . 1]" 3 909 1 76 GLY HA2 1 78 LEU H 3.422 . 4.886 3.983 3.855 4.096 . 0 0 "[ . 1]" 3 910 2 76 GLY HA2 2 78 LEU H 3.422 . 4.886 3.983 3.857 4.097 . 0 0 "[ . 1]" 3 911 1 52 THR HB 1 53 ARG H 3.265 . 4.598 4.281 3.499 4.497 . 0 0 "[ . 1]" 3 912 2 52 THR HB 2 53 ARG H 3.265 . 4.598 4.280 3.499 4.496 . 0 0 "[ . 1]" 3 913 1 53 ARG H 1 54 PRO HD3 3.324 . 4.705 4.377 2.810 4.819 0.114 9 0 "[ . 1]" 3 914 2 53 ARG H 2 54 PRO HD3 3.324 . 4.705 4.377 2.810 4.819 0.114 9 0 "[ . 1]" 3 915 1 76 GLY HA2 1 79 ALA H 3.083 . 4.271 4.157 3.853 4.287 0.016 9 0 "[ . 1]" 3 916 2 76 GLY HA2 2 79 ALA H 3.083 . 4.271 4.157 3.855 4.287 0.016 4 0 "[ . 1]" 3 917 1 79 ALA H 1 79 ALA HA 2.327 . 3.004 2.736 2.726 2.742 . 0 0 "[ . 1]" 3 918 2 79 ALA H 2 79 ALA HA 2.327 . 3.004 2.736 2.727 2.741 . 0 0 "[ . 1]" 3 919 1 79 ALA HA 1 82 LEU H 3.052 . 4.216 3.674 3.630 3.729 . 0 0 "[ . 1]" 3 920 2 79 ALA HA 2 82 LEU H 3.052 . 4.216 3.674 3.632 3.730 . 0 0 "[ . 1]" 3 921 1 35 ARG HA 1 38 LYS H 2.835 . 3.839 3.424 3.206 3.942 0.103 8 0 "[ . 1]" 3 922 2 35 ARG HA 2 38 LYS H 2.835 . 3.839 3.424 3.204 3.941 0.102 8 0 "[ . 1]" 3 923 1 42 THR H 1 42 THR HA 2.987 . 4.102 2.810 2.773 2.833 . 0 0 "[ . 1]" 3 924 2 42 THR H 2 42 THR HA 2.987 . 4.102 2.810 2.773 2.833 . 0 0 "[ . 1]" 3 925 1 15 GLY HA2 1 16 ASN H 2.664 . 3.551 3.081 2.978 3.166 . 0 0 "[ . 1]" 3 926 2 15 GLY HA2 2 16 ASN H 2.664 . 3.551 3.081 2.978 3.167 . 0 0 "[ . 1]" 3 927 1 36 ALA HA 1 39 VAL H 3.288 . 4.640 3.668 3.459 3.852 . 0 0 "[ . 1]" 3 928 2 36 ALA HA 2 39 VAL H 3.288 . 4.640 3.668 3.458 3.853 . 0 0 "[ . 1]" 3 929 1 44 GLU HA 1 45 ALA H 2.425 . 3.160 2.852 2.831 2.886 . 0 0 "[ . 1]" 3 930 2 44 GLU HA 2 45 ALA H 2.425 . 3.160 2.852 2.831 2.886 . 0 0 "[ . 1]" 3 931 1 4 PRO QD 1 5 LEU H 2.875 . 3.908 2.758 2.642 2.895 . 0 0 "[ . 1]" 3 932 2 4 PRO QD 2 5 LEU H 2.875 . 3.908 2.758 2.642 2.893 . 0 0 "[ . 1]" 3 933 1 76 GLY HA2 1 77 ASP H 2.683 . 3.583 3.555 3.506 3.572 . 0 0 "[ . 1]" 3 934 2 76 GLY HA2 2 77 ASP H 2.683 . 3.583 3.555 3.507 3.573 . 0 0 "[ . 1]" 3 935 1 76 GLY HA3 1 77 ASP H 2.624 . 3.484 2.880 2.816 2.932 . 0 0 "[ . 1]" 3 936 2 76 GLY HA3 2 77 ASP H 2.624 . 3.484 2.879 2.815 2.934 . 0 0 "[ . 1]" 3 937 1 47 ILE HA 1 49 HIS H 3.505 . 5.041 4.152 4.016 4.243 . 0 0 "[ . 1]" 3 938 2 47 ILE HA 2 49 HIS H 3.505 . 5.041 4.153 4.017 4.245 . 0 0 "[ . 1]" 3 939 1 32 SER H 1 32 SER QB 3.085 . 4.275 2.491 2.249 2.879 . 0 0 "[ . 1]" 3 940 2 32 SER H 2 32 SER QB 3.085 . 4.275 2.491 2.247 2.879 . 0 0 "[ . 1]" 3 941 1 83 SER HA 1 84 SER H 2.511 . 3.299 3.425 3.411 3.442 0.143 8 0 "[ . 1]" 3 942 2 83 SER HA 2 84 SER H 2.511 . 3.299 3.425 3.411 3.443 0.144 8 0 "[ . 1]" 3 943 1 83 SER HB3 1 84 SER H 2.151 . 2.730 2.684 2.623 2.766 0.036 9 0 "[ . 1]" 3 944 2 83 SER HB3 2 84 SER H 2.151 . 2.730 2.683 2.624 2.765 0.035 9 0 "[ . 1]" 3 945 1 47 ILE HA 1 72 GLU H 3.224 . 4.523 2.982 2.871 3.046 . 0 0 "[ . 1]" 3 946 2 47 ILE HA 2 72 GLU H 3.224 . 4.523 2.982 2.871 3.046 . 0 0 "[ . 1]" 3 947 1 62 SER H 1 62 SER QB 2.906 . 3.962 2.693 2.327 2.919 . 0 0 "[ . 1]" 3 948 2 62 SER H 2 62 SER QB 2.906 . 3.962 2.694 2.327 2.917 . 0 0 "[ . 1]" 3 949 1 61 GLY HA2 1 62 SER H 2.408 . 3.133 3.185 2.734 3.569 0.436 7 0 "[ . 1]" 3 950 2 61 GLY HA2 2 62 SER H 2.408 . 3.133 3.185 2.734 3.570 0.437 7 0 "[ . 1]" 3 951 1 89 SER H 1 89 SER QB 3.086 . 4.123 2.708 2.327 3.166 . 0 0 "[ . 1]" 3 952 2 89 SER H 2 89 SER QB 3.086 . 4.123 2.708 2.327 3.166 . 0 0 "[ . 1]" 3 953 1 44 GLU H 1 44 GLU HA 2.194 . 2.796 2.258 2.249 2.263 . 0 0 "[ . 1]" 3 954 2 44 GLU H 2 44 GLU HA 2.194 . 2.796 2.257 2.250 2.261 . 0 0 "[ . 1]" 3 955 1 83 SER H 1 83 SER HA 2.312 . 2.980 2.794 2.785 2.809 . 0 0 "[ . 1]" 3 956 2 83 SER H 2 83 SER HA 2.312 . 2.980 2.794 2.786 2.810 . 0 0 "[ . 1]" 3 957 1 83 SER H 1 83 SER HB2 2.363 . 3.061 2.296 2.255 2.320 . 0 0 "[ . 1]" 3 958 2 83 SER H 2 83 SER HB2 2.363 . 3.061 2.296 2.254 2.321 . 0 0 "[ . 1]" 3 959 1 27 GLY HA3 1 28 THR H 2.989 . 4.106 3.049 2.284 3.563 . 0 0 "[ . 1]" 3 960 2 27 GLY HA3 2 28 THR H 2.989 . 4.106 3.050 2.286 3.562 . 0 0 "[ . 1]" 3 961 1 76 GLY H 1 76 GLY HA2 2.271 . 2.916 2.920 2.904 2.936 0.020 7 0 "[ . 1]" 3 962 2 76 GLY H 2 76 GLY HA2 2.271 . 2.916 2.920 2.904 2.937 0.021 7 0 "[ . 1]" 3 963 1 27 GLY H 1 27 GLY HA3 2.942 . 4.024 2.803 2.299 2.952 . 0 0 "[ . 1]" 3 964 2 27 GLY H 2 27 GLY HA3 2.942 . 4.024 2.802 2.298 2.952 . 0 0 "[ . 1]" 3 965 1 82 LEU HA 1 85 VAL H 3.183 . 4.449 2.916 2.845 2.974 . 0 0 "[ . 1]" 3 966 2 82 LEU HA 2 85 VAL H 3.183 . 4.449 2.917 2.845 2.973 . 0 0 "[ . 1]" 3 967 1 85 VAL H 1 85 VAL HA 2.739 . 3.677 2.774 2.761 2.786 . 0 0 "[ . 1]" 3 968 2 85 VAL H 2 85 VAL HA 2.739 . 3.677 2.774 2.762 2.786 . 0 0 "[ . 1]" 3 969 1 78 LEU HA 1 81 LEU H 2.963 . 4.061 3.557 3.524 3.608 . 0 0 "[ . 1]" 3 970 2 78 LEU HA 2 81 LEU H 2.963 . 4.061 3.558 3.525 3.610 . 0 0 "[ . 1]" 3 971 1 57 ARG H 1 58 PRO HD2 2.633 . 3.499 3.019 1.715 3.611 0.112 3 0 "[ . 1]" 3 972 2 57 ARG H 2 58 PRO HD2 2.633 . 3.499 3.018 1.715 3.611 0.112 3 0 "[ . 1]" 3 973 1 53 ARG H 1 53 ARG HD2 4.401 . 6.822 5.445 4.996 6.580 . 0 0 "[ . 1]" 3 974 2 53 ARG H 2 53 ARG HD2 4.401 . 6.822 5.445 4.997 6.581 . 0 0 "[ . 1]" 3 975 1 82 LEU H 1 82 LEU HA 2.721 . 3.647 2.804 2.788 2.818 . 0 0 "[ . 1]" 3 976 2 82 LEU H 2 82 LEU HA 2.721 . 3.647 2.804 2.789 2.819 . 0 0 "[ . 1]" 3 977 1 85 VAL HA 1 86 ARG H 3.256 . 4.581 3.447 3.403 3.506 . 0 0 "[ . 1]" 3 978 2 85 VAL HA 2 86 ARG H 3.256 . 4.581 3.447 3.406 3.506 . 0 0 "[ . 1]" 3 979 1 34 SER H 1 34 SER HB3 3.017 . 4.155 2.473 2.260 3.455 . 0 0 "[ . 1]" 3 980 2 34 SER H 2 34 SER HB3 3.017 . 4.155 2.473 2.258 3.454 . 0 0 "[ . 1]" 3 981 1 39 VAL HA 1 41 GLU H 3.243 . 4.558 4.116 4.031 4.257 . 0 0 "[ . 1]" 3 982 2 39 VAL HA 2 41 GLU H 3.243 . 4.558 4.116 4.028 4.258 . 0 0 "[ . 1]" 3 983 1 84 SER H 1 85 VAL HA 3.734 . 5.477 5.103 5.071 5.128 . 0 0 "[ . 1]" 3 984 2 84 SER H 2 85 VAL HA 3.734 . 5.477 5.103 5.071 5.126 . 0 0 "[ . 1]" 3 985 1 40 PHE H 1 40 PHE HA 2.563 . 3.384 2.782 2.764 2.804 . 0 0 "[ . 1]" 3 986 2 40 PHE H 2 40 PHE HA 2.563 . 3.384 2.782 2.765 2.805 . 0 0 "[ . 1]" 3 987 1 39 VAL HA 1 40 PHE H 3.568 . 5.160 3.534 3.516 3.549 . 0 0 "[ . 1]" 3 988 2 39 VAL HA 2 40 PHE H 3.568 . 5.160 3.534 3.515 3.548 . 0 0 "[ . 1]" 3 989 1 23 PHE H 1 23 PHE HB3 4.027 . 6.054 3.025 2.863 3.429 . 0 0 "[ . 1]" 3 990 2 23 PHE H 2 23 PHE HB3 4.027 . 6.054 3.026 2.863 3.433 . 0 0 "[ . 1]" 3 991 1 93 ARG H 1 93 ARG HD2 3.339 . 4.733 4.850 4.727 4.955 0.222 3 0 "[ . 1]" 3 992 2 93 ARG H 2 93 ARG HD2 3.339 . 4.733 4.850 4.727 4.953 0.220 3 0 "[ . 1]" 3 993 1 13 ARG H 1 13 ARG HD2 3.469 . 4.973 4.551 4.370 5.155 0.182 8 0 "[ . 1]" 3 994 2 13 ARG H 2 13 ARG HD2 3.469 . 4.973 4.551 4.371 5.155 0.182 8 0 "[ . 1]" 3 995 1 22 LEU H 1 23 PHE HB2 3.528 . 5.084 5.127 4.708 5.407 0.323 9 0 "[ . 1]" 3 996 2 22 LEU H 2 23 PHE HB2 3.528 . 5.084 5.126 4.707 5.406 0.322 9 0 "[ . 1]" 3 997 1 35 ARG H 1 35 ARG QD 4.007 . 6.014 4.326 3.669 4.814 . 0 0 "[ . 1]" 3 998 2 35 ARG H 2 35 ARG QD 4.007 . 6.014 4.328 3.674 4.815 . 0 0 "[ . 1]" 3 999 1 86 ARG H 1 87 ARG QD 2.889 . 3.933 3.885 3.860 3.903 . 0 0 "[ . 1]" 3 1000 2 86 ARG H 2 87 ARG QD 2.889 . 3.933 3.885 3.860 3.903 . 0 0 "[ . 1]" 3 1001 1 43 PHE HB3 1 45 ALA H 3.353 . 4.759 4.264 4.159 4.362 . 0 0 "[ . 1]" 3 1002 2 43 PHE HB3 2 45 ALA H 3.353 . 4.759 4.264 4.159 4.364 . 0 0 "[ . 1]" 3 1003 1 43 PHE H 1 43 PHE HB3 2.723 . 3.650 3.588 3.572 3.604 . 0 0 "[ . 1]" 3 1004 2 43 PHE H 2 43 PHE HB3 2.723 . 3.650 3.588 3.574 3.602 . 0 0 "[ . 1]" 3 1005 1 23 PHE HB2 1 24 SER H 3.364 . 4.779 4.074 3.707 4.242 . 0 0 "[ . 1]" 3 1006 2 23 PHE HB2 2 24 SER H 3.364 . 4.779 4.074 3.706 4.241 . 0 0 "[ . 1]" 3 1007 1 93 ARG HD2 1 94 SER H 3.754 . 5.516 4.433 3.482 5.361 . 0 0 "[ . 1]" 3 1008 2 93 ARG HD2 2 94 SER H 3.754 . 5.516 4.433 3.479 5.357 . 0 0 "[ . 1]" 3 1009 1 40 PHE H 1 40 PHE HB2 2.718 . 3.641 3.092 3.051 3.127 . 0 0 "[ . 1]" 3 1010 2 40 PHE H 2 40 PHE HB2 2.718 . 3.641 3.092 3.050 3.126 . 0 0 "[ . 1]" 3 1011 1 43 PHE HB3 1 44 GLU H 3.727 . 5.463 4.295 4.267 4.325 . 0 0 "[ . 1]" 3 1012 2 43 PHE HB3 2 44 GLU H 3.727 . 5.463 4.295 4.267 4.325 . 0 0 "[ . 1]" 3 1013 1 93 ARG H 1 93 ARG HD3 3.377 . 4.802 4.700 4.189 4.930 0.128 8 0 "[ . 1]" 3 1014 2 93 ARG H 2 93 ARG HD3 3.377 . 4.802 4.699 4.190 4.931 0.129 8 0 "[ . 1]" 3 1015 1 13 ARG H 1 16 ASN QB 3.565 . 5.082 4.336 4.141 4.478 . 0 0 "[ . 1]" 3 1016 2 13 ARG H 2 16 ASN QB 3.565 . 5.082 4.336 4.139 4.478 . 0 0 "[ . 1]" 3 1017 1 16 ASN QB 1 17 ALA H 2.985 . 3.550 2.372 2.151 2.763 . 0 0 "[ . 1]" 3 1018 2 16 ASN QB 2 17 ALA H 2.985 . 3.550 2.372 2.152 2.762 . 0 0 "[ . 1]" 3 1019 1 71 PHE H 1 71 PHE HB3 2.750 . 3.695 3.306 3.268 3.360 . 0 0 "[ . 1]" 3 1020 2 71 PHE H 2 71 PHE HB3 2.750 . 3.695 3.305 3.268 3.358 . 0 0 "[ . 1]" 3 1021 1 20 ASN HB2 1 21 LEU H 3.511 . 5.052 3.028 2.538 3.761 . 0 0 "[ . 1]" 3 1022 2 20 ASN HB2 2 21 LEU H 3.511 . 5.052 3.026 2.540 3.760 . 0 0 "[ . 1]" 3 1023 1 81 LEU H 1 81 LEU HA 2.592 . 3.432 2.893 2.891 2.897 . 0 0 "[ . 1]" 3 1024 2 81 LEU H 2 81 LEU HA 2.592 . 3.432 2.893 2.891 2.897 . 0 0 "[ . 1]" 3 1025 1 16 ASN QB 1 73 VAL H 3.408 . 3.910 3.374 3.213 3.794 . 0 0 "[ . 1]" 3 1026 2 16 ASN QB 2 73 VAL H 3.408 . 3.910 3.374 3.213 3.795 . 0 0 "[ . 1]" 3 1027 1 10 PHE QB 1 11 GLU H 2.703 . 3.616 2.596 2.091 3.102 . 0 0 "[ . 1]" 3 1028 2 10 PHE QB 2 11 GLU H 2.703 . 3.616 2.596 2.091 3.102 . 0 0 "[ . 1]" 3 1029 1 10 PHE H 1 10 PHE QB 3.290 . 4.643 3.108 2.909 3.224 . 0 0 "[ . 1]" 3 1030 2 10 PHE H 2 10 PHE QB 3.290 . 4.643 3.108 2.911 3.224 . 0 0 "[ . 1]" 3 1031 1 77 ASP HB3 1 78 LEU H 3.545 . 5.116 4.001 3.211 4.116 . 0 0 "[ . 1]" 3 1032 2 77 ASP HB3 2 78 LEU H 3.545 . 5.116 4.001 3.211 4.116 . 0 0 "[ . 1]" 3 1033 1 81 LEU HA 1 82 LEU H 4.115 . 6.232 3.447 3.436 3.461 . 0 0 "[ . 1]" 3 1034 2 81 LEU HA 2 82 LEU H 4.115 . 6.232 3.447 3.436 3.460 . 0 0 "[ . 1]" 3 1035 1 91 ASP HB2 1 92 VAL H 3.120 . 4.337 4.276 3.771 4.624 0.287 3 0 "[ . 1]" 3 1036 2 91 ASP HB2 2 92 VAL H 3.120 . 4.337 4.276 3.773 4.623 0.286 3 0 "[ . 1]" 3 1037 1 16 ASN H 1 16 ASN QB 2.529 . 3.328 3.134 2.804 3.260 . 0 0 "[ . 1]" 3 1038 2 16 ASN H 2 16 ASN QB 2.529 . 3.328 3.134 2.803 3.259 . 0 0 "[ . 1]" 3 1039 1 77 ASP H 1 77 ASP HB3 2.886 . 3.927 3.560 3.016 3.633 . 0 0 "[ . 1]" 3 1040 2 77 ASP H 2 77 ASP HB3 2.886 . 3.927 3.560 3.016 3.632 . 0 0 "[ . 1]" 3 1041 1 49 HIS H 1 49 HIS HB2 2.545 . 3.354 3.297 2.915 3.390 0.036 7 0 "[ . 1]" 3 1042 2 49 HIS H 2 49 HIS HB2 2.545 . 3.354 3.297 2.918 3.392 0.038 7 0 "[ . 1]" 3 1043 1 81 LEU HA 1 84 SER H 3.031 . 4.180 3.169 3.089 3.255 . 0 0 "[ . 1]" 3 1044 2 81 LEU HA 2 84 SER H 3.031 . 4.180 3.169 3.089 3.256 . 0 0 "[ . 1]" 3 1045 1 90 ASP H 1 90 ASP HB2 2.543 . 3.351 3.023 2.440 3.368 0.017 7 0 "[ . 1]" 3 1046 2 90 ASP H 2 90 ASP HB2 2.543 . 3.351 3.022 2.440 3.367 0.016 7 0 "[ . 1]" 3 1047 1 93 ARG HD3 1 94 SER H 3.602 . 5.224 4.526 3.442 5.395 0.171 10 0 "[ . 1]" 3 1048 2 93 ARG HD3 2 94 SER H 3.602 . 5.224 4.525 3.440 5.394 0.170 10 0 "[ . 1]" 3 1049 1 40 PHE H 1 40 PHE HB3 2.896 . 3.945 3.458 3.439 3.488 . 0 0 "[ . 1]" 3 1050 2 40 PHE H 2 40 PHE HB3 2.896 . 3.945 3.458 3.440 3.488 . 0 0 "[ . 1]" 3 1051 1 3 ASN QB 1 3 ASN HD21 2.856 . 3.864 2.187 2.159 2.224 . 0 0 "[ . 1]" 3 1052 2 3 ASN QB 2 3 ASN HD21 2.856 . 3.864 2.187 2.159 2.225 . 0 0 "[ . 1]" 3 1053 1 3 ASN QB 1 3 ASN HD22 2.820 . 3.814 3.246 3.212 3.295 . 0 0 "[ . 1]" 3 1054 2 3 ASN QB 2 3 ASN HD22 2.820 . 3.814 3.246 3.214 3.295 . 0 0 "[ . 1]" 3 1055 1 16 ASN QB 1 16 ASN HD21 2.874 . 3.790 2.343 2.193 2.442 . 0 0 "[ . 1]" 3 1056 2 16 ASN QB 2 16 ASN HD21 2.874 . 3.790 2.343 2.193 2.441 . 0 0 "[ . 1]" 3 1057 1 20 ASN HB2 1 95 ALA H 2.966 . 4.066 2.576 1.840 2.942 0.026 4 0 "[ . 1]" 3 1058 2 20 ASN HB2 2 95 ALA H 2.966 . 4.066 2.576 1.841 2.944 0.025 4 0 "[ . 1]" 3 1059 1 14 ASP H 1 14 ASP QB 4.602 . 6.421 2.889 2.816 3.231 . 0 0 "[ . 1]" 3 1060 2 14 ASP H 2 14 ASP QB 4.602 . 6.421 2.889 2.816 3.232 . 0 0 "[ . 1]" 3 1061 1 68 PHE HB3 1 69 VAL H 3.389 . 4.825 4.262 4.199 4.353 . 0 0 "[ . 1]" 3 1062 2 68 PHE HB3 2 69 VAL H 3.389 . 4.825 4.262 4.199 4.353 . 0 0 "[ . 1]" 3 1063 1 14 ASP QB 1 15 GLY H 2.829 . 3.830 3.704 3.643 3.788 . 0 0 "[ . 1]" 3 1064 2 14 ASP QB 2 15 GLY H 2.829 . 3.830 3.704 3.642 3.788 . 0 0 "[ . 1]" 3 1065 1 20 ASN HB3 1 21 LEU H 3.740 . 5.488 3.307 2.471 3.903 . 0 0 "[ . 1]" 3 1066 2 20 ASN HB3 2 21 LEU H 3.740 . 5.488 3.307 2.471 3.903 . 0 0 "[ . 1]" 3 1067 1 68 PHE H 1 68 PHE HB3 3.176 . 4.437 2.501 2.369 3.034 . 0 0 "[ . 1]" 3 1068 2 68 PHE H 2 68 PHE HB3 3.176 . 4.437 2.501 2.369 3.035 . 0 0 "[ . 1]" 3 1069 1 46 LYS H 1 72 GLU QG 3.338 . 3.950 2.234 2.048 2.417 . 0 0 "[ . 1]" 3 1070 2 46 LYS H 2 72 GLU QG 3.338 . 3.950 2.234 2.048 2.416 . 0 0 "[ . 1]" 3 1071 1 16 ASN QB 1 75 SER H 2.761 . 3.714 3.421 3.307 3.612 . 0 0 "[ . 1]" 3 1072 2 16 ASN QB 2 75 SER H 2.761 . 3.714 3.421 3.308 3.610 . 0 0 "[ . 1]" 3 1073 1 90 ASP H 1 90 ASP HB3 3.030 . 4.178 3.071 2.541 3.636 . 0 0 "[ . 1]" 3 1074 2 90 ASP H 2 90 ASP HB3 3.030 . 4.178 3.070 2.541 3.635 . 0 0 "[ . 1]" 3 1075 1 53 ARG H 1 53 ARG HB3 3.343 . 4.740 3.465 2.896 3.791 . 0 0 "[ . 1]" 3 1076 2 53 ARG H 2 53 ARG HB3 3.343 . 4.740 3.465 2.896 3.790 . 0 0 "[ . 1]" 3 1077 1 53 ARG H 1 53 ARG HG3 3.739 . 5.486 3.605 2.576 4.898 . 0 0 "[ . 1]" 3 1078 2 53 ARG H 2 53 ARG HG3 3.739 . 5.486 3.605 2.578 4.900 . 0 0 "[ . 1]" 3 1079 1 77 ASP HB2 1 79 ALA H 4.410 . 6.841 5.848 5.782 6.063 . 0 0 "[ . 1]" 3 1080 2 77 ASP HB2 2 79 ALA H 4.410 . 6.841 5.849 5.783 6.063 . 0 0 "[ . 1]" 3 1081 1 14 ASP QB 1 16 ASN H 2.987 . 4.102 4.054 3.877 4.126 0.024 8 0 "[ . 1]" 3 1082 2 14 ASP QB 2 16 ASN H 2.987 . 4.102 4.054 3.878 4.127 0.025 8 0 "[ . 1]" 3 1083 1 90 ASP HB3 1 91 ASP H 2.534 . 3.337 2.481 1.722 3.009 0.009 9 0 "[ . 1]" 3 1084 2 90 ASP HB3 2 91 ASP H 2.534 . 3.337 2.481 1.723 3.008 0.008 9 0 "[ . 1]" 3 1085 1 90 ASP HB2 1 91 ASP H 2.889 . 3.932 3.346 1.912 3.982 0.050 8 0 "[ . 1]" 3 1086 2 90 ASP HB2 2 91 ASP H 2.889 . 3.932 3.346 1.913 3.980 0.048 8 0 "[ . 1]" 3 1087 1 43 PHE HB2 1 45 ALA H 3.202 . 4.484 3.911 3.801 4.023 . 0 0 "[ . 1]" 3 1088 2 43 PHE HB2 2 45 ALA H 3.202 . 4.484 3.910 3.800 4.025 . 0 0 "[ . 1]" 3 1089 1 77 ASP H 1 77 ASP HB2 2.415 . 3.144 2.428 2.053 2.511 . 0 0 "[ . 1]" 3 1090 2 77 ASP H 2 77 ASP HB2 2.415 . 3.144 2.429 2.053 2.510 . 0 0 "[ . 1]" 3 1091 1 43 PHE H 1 43 PHE HB2 2.483 . 3.253 2.343 2.326 2.361 . 0 0 "[ . 1]" 3 1092 2 43 PHE H 2 43 PHE HB2 2.483 . 3.253 2.343 2.324 2.364 . 0 0 "[ . 1]" 3 1093 1 20 ASN H 1 20 ASN HB3 3.066 . 4.241 3.607 3.450 3.829 . 0 0 "[ . 1]" 3 1094 2 20 ASN H 2 20 ASN HB3 3.066 . 4.241 3.607 3.449 3.828 . 0 0 "[ . 1]" 3 1095 1 51 GLU HB3 1 52 THR H 3.208 . 4.494 3.795 2.913 4.100 . 0 0 "[ . 1]" 3 1096 2 51 GLU HB3 2 52 THR H 3.208 . 4.494 3.795 2.915 4.093 . 0 0 "[ . 1]" 3 1097 1 20 ASN HB3 1 95 ALA H 3.228 . 4.531 3.808 2.691 4.335 . 0 0 "[ . 1]" 3 1098 2 20 ASN HB3 2 95 ALA H 3.228 . 4.531 3.808 2.692 4.334 . 0 0 "[ . 1]" 3 1099 1 74 PRO HB3 1 76 GLY H 3.977 . 5.954 3.180 3.119 3.259 . 0 0 "[ . 1]" 3 1100 2 74 PRO HB3 2 76 GLY H 3.977 . 5.954 3.181 3.120 3.258 . 0 0 "[ . 1]" 3 1101 1 54 PRO HB3 1 55 ALA H 2.706 . 3.621 2.884 2.441 3.225 . 0 0 "[ . 1]" 3 1102 2 54 PRO HB3 2 55 ALA H 2.706 . 3.621 2.884 2.441 3.224 . 0 0 "[ . 1]" 3 1103 1 12 GLU QG 1 13 ARG H 2.957 . 4.050 3.870 3.620 4.070 0.020 7 0 "[ . 1]" 3 1104 2 12 GLU QG 2 13 ARG H 2.957 . 4.050 3.871 3.619 4.071 0.021 7 0 "[ . 1]" 3 1105 1 12 GLU HB3 1 13 ARG H 2.665 . 3.553 2.758 1.930 3.114 . 0 0 "[ . 1]" 3 1106 2 12 GLU HB3 2 13 ARG H 2.665 . 3.553 2.758 1.929 3.115 . 0 0 "[ . 1]" 3 1107 1 54 PRO HG3 1 55 ALA H 3.363 . 4.776 4.685 4.489 4.858 0.082 1 0 "[ . 1]" 3 1108 2 54 PRO HG3 2 55 ALA H 3.363 . 4.776 4.685 4.487 4.858 0.082 1 0 "[ . 1]" 3 1109 1 17 ALA H 1 73 VAL HB 3.772 . 5.550 4.187 4.023 4.255 . 0 0 "[ . 1]" 3 1110 2 17 ALA H 2 73 VAL HB 3.772 . 5.550 4.187 4.022 4.258 . 0 0 "[ . 1]" 3 1111 1 12 GLU HB3 1 17 ALA H 3.431 . 4.902 4.580 3.372 5.123 0.221 8 0 "[ . 1]" 3 1112 2 12 GLU HB3 2 17 ALA H 3.431 . 4.902 4.580 3.373 5.124 0.222 8 0 "[ . 1]" 3 1113 1 11 GLU QB 1 12 GLU H 2.180 . 2.774 2.687 2.152 3.675 0.901 6 1 "[ .+ 1]" 3 1114 2 11 GLU QB 2 12 GLU H 2.180 . 2.774 2.686 2.151 3.674 0.900 6 1 "[ .+ 1]" 3 1115 1 6 GLU QG 1 7 ALA H 2.547 . 3.358 1.986 1.581 3.485 0.155 10 0 "[ . 1]" 3 1116 2 6 GLU QG 2 7 ALA H 2.547 . 3.358 1.987 1.582 3.487 0.154 10 0 "[ . 1]" 3 1117 1 51 GLU HB2 1 68 PHE H 3.780 . 5.566 4.732 2.505 5.543 . 0 0 "[ . 1]" 3 1118 2 51 GLU HB2 2 68 PHE H 3.780 . 5.566 4.732 2.503 5.544 . 0 0 "[ . 1]" 3 1119 1 72 GLU QG 1 73 VAL H 2.777 . 3.741 3.307 3.083 3.746 0.005 9 0 "[ . 1]" 3 1120 2 72 GLU QG 2 73 VAL H 2.777 . 3.741 3.307 3.083 3.748 0.007 9 0 "[ . 1]" 3 1121 1 58 PRO HB2 1 59 LEU H 2.833 . 3.836 2.379 1.640 3.160 0.190 10 0 "[ . 1]" 3 1122 2 58 PRO HB2 2 59 LEU H 2.833 . 3.836 2.380 1.639 3.160 0.191 10 0 "[ . 1]" 3 1123 1 56 GLN HG3 1 57 ARG H 2.849 . 3.864 2.762 1.803 4.212 0.348 2 0 "[ . 1]" 3 1124 2 56 GLN HG3 2 57 ARG H 2.849 . 3.864 2.762 1.804 4.213 0.349 2 0 "[ . 1]" 3 1125 1 6 GLU H 1 6 GLU HB3 2.012 . 2.518 2.704 1.977 3.418 0.900 5 3 "[ * + - 1]" 3 1126 2 6 GLU H 2 6 GLU HB3 2.012 . 2.518 2.704 1.977 3.420 0.902 5 3 "[ * + - 1]" 3 1127 1 17 ALA MB 1 75 SER H 3.358 . 4.768 3.929 3.751 4.028 . 0 0 "[ . 1]" 3 1128 2 17 ALA MB 2 75 SER H 3.358 . 4.768 3.928 3.753 4.025 . 0 0 "[ . 1]" 3 1129 1 56 GLN H 1 56 GLN HG2 2.568 . 3.392 2.766 1.990 3.271 . 0 0 "[ . 1]" 3 1130 2 56 GLN H 2 56 GLN HG2 2.568 . 3.392 2.766 1.992 3.271 . 0 0 "[ . 1]" 3 1131 1 74 PRO HB2 1 78 LEU H 4.133 . 6.269 3.602 3.562 3.649 . 0 0 "[ . 1]" 3 1132 2 74 PRO HB2 2 78 LEU H 4.133 . 6.269 3.602 3.564 3.648 . 0 0 "[ . 1]" 3 1133 1 51 GLU H 1 51 GLU HB2 3.129 . 4.353 3.829 2.931 3.991 . 0 0 "[ . 1]" 3 1134 2 51 GLU H 2 51 GLU HB2 3.129 . 4.353 3.830 2.931 3.990 . 0 0 "[ . 1]" 3 1135 1 12 GLU QG 1 16 ASN H 3.222 . 4.520 4.372 4.260 4.844 0.324 7 0 "[ . 1]" 3 1136 2 12 GLU QG 2 16 ASN H 3.222 . 4.520 4.372 4.261 4.842 0.322 7 0 "[ . 1]" 3 1137 1 12 GLU HB3 1 16 ASN H 3.438 . 4.915 3.094 2.742 3.437 . 0 0 "[ . 1]" 3 1138 2 12 GLU HB3 2 16 ASN H 3.438 . 4.915 3.093 2.740 3.436 . 0 0 "[ . 1]" 3 1139 1 44 GLU HB3 1 45 ALA H 3.040 . 4.196 4.489 4.415 4.551 0.355 1 0 "[ . 1]" 3 1140 2 44 GLU HB3 2 45 ALA H 3.040 . 4.196 4.490 4.416 4.550 0.354 1 0 "[ . 1]" 3 1141 1 4 PRO HB3 1 5 LEU H 2.841 . 3.850 3.890 3.791 4.010 0.160 10 0 "[ . 1]" 3 1142 2 4 PRO HB3 2 5 LEU H 2.841 . 3.850 3.889 3.790 4.011 0.161 10 0 "[ . 1]" 3 1143 1 4 PRO HG2 1 5 LEU H 2.440 . 3.184 1.851 1.700 2.114 . 0 0 "[ . 1]" 3 1144 2 4 PRO HG2 2 5 LEU H 2.440 . 3.184 1.851 1.698 2.115 . 0 0 "[ . 1]" 3 1145 1 74 PRO HB2 1 77 ASP H 2.956 . 4.048 1.971 1.886 2.040 . 0 0 "[ . 1]" 3 1146 2 74 PRO HB2 2 77 ASP H 2.956 . 4.048 1.972 1.886 2.037 . 0 0 "[ . 1]" 3 1147 1 72 GLU H 1 72 GLU HB3 3.212 . 4.502 2.730 2.616 2.847 . 0 0 "[ . 1]" 3 1148 2 72 GLU H 2 72 GLU HB3 3.212 . 4.502 2.730 2.617 2.848 . 0 0 "[ . 1]" 3 1149 1 44 GLU H 1 44 GLU QG 2.268 . 2.911 2.605 2.515 2.686 . 0 0 "[ . 1]" 3 1150 2 44 GLU H 2 44 GLU QG 2.268 . 2.911 2.605 2.515 2.686 . 0 0 "[ . 1]" 3 1151 1 56 GLN HE21 1 56 GLN HG2 2.461 . 3.218 2.487 2.234 3.460 0.242 9 0 "[ . 1]" 3 1152 2 56 GLN HE21 2 56 GLN HG2 2.461 . 3.218 2.487 2.235 3.458 0.240 9 0 "[ . 1]" 3 1153 1 56 GLN HE22 1 56 GLN HG2 2.615 . 3.470 3.592 3.481 4.049 0.579 9 1 "[ . +1]" 3 1154 2 56 GLN HE22 2 56 GLN HG2 2.615 . 3.470 3.592 3.482 4.048 0.578 9 1 "[ . +1]" 3 1155 1 51 GLU HB2 1 52 THR H 2.708 . 3.625 2.833 2.559 3.546 . 0 0 "[ . 1]" 3 1156 2 51 GLU HB2 2 52 THR H 2.708 . 3.625 2.833 2.562 3.547 . 0 0 "[ . 1]" 3 1157 1 74 PRO HB2 1 76 GLY H 3.472 . 4.979 3.073 2.984 3.226 . 0 0 "[ . 1]" 3 1158 2 74 PRO HB2 2 76 GLY H 3.472 . 4.979 3.073 2.986 3.227 . 0 0 "[ . 1]" 3 1159 1 70 ARG H 1 70 ARG QB 2.880 . 3.917 2.786 2.601 3.209 . 0 0 "[ . 1]" 3 1160 2 70 ARG H 2 70 ARG QB 2.880 . 3.917 2.786 2.601 3.208 . 0 0 "[ . 1]" 3 1161 1 92 VAL HB 1 93 ARG H 2.761 . 3.714 2.733 2.022 3.931 0.217 10 0 "[ . 1]" 3 1162 2 92 VAL HB 2 93 ARG H 2.761 . 3.714 2.733 2.022 3.931 0.217 10 0 "[ . 1]" 3 1163 1 93 ARG H 1 93 ARG HG3 2.729 . 3.660 2.849 2.672 3.208 . 0 0 "[ . 1]" 3 1164 2 93 ARG H 2 93 ARG HG3 2.729 . 3.660 2.849 2.671 3.207 . 0 0 "[ . 1]" 3 1165 1 47 ILE H 1 47 ILE HB 2.202 . 2.808 2.872 2.846 2.893 0.085 2 0 "[ . 1]" 3 1166 2 47 ILE H 2 47 ILE HB 2.202 . 2.808 2.872 2.845 2.894 0.086 2 0 "[ . 1]" 3 1167 1 12 GLU HB2 1 13 ARG H 2.779 . 3.744 3.481 2.280 3.958 0.214 5 0 "[ . 1]" 3 1168 2 12 GLU HB2 2 13 ARG H 2.779 . 3.744 3.481 2.278 3.959 0.215 5 0 "[ . 1]" 3 1169 1 13 ARG H 1 13 ARG HB3 2.736 . 3.672 2.365 2.242 2.927 . 0 0 "[ . 1]" 3 1170 2 13 ARG H 2 13 ARG HB3 2.736 . 3.672 2.364 2.240 2.926 . 0 0 "[ . 1]" 3 1171 1 69 VAL H 1 69 VAL HB 2.721 . 3.646 2.957 2.920 3.001 . 0 0 "[ . 1]" 3 1172 2 69 VAL H 2 69 VAL HB 2.721 . 3.646 2.957 2.920 3.002 . 0 0 "[ . 1]" 3 1173 1 19 LEU H 1 72 GLU HB2 3.330 . 4.716 4.750 4.659 4.831 0.115 6 0 "[ . 1]" 3 1174 2 19 LEU H 2 72 GLU HB2 3.330 . 4.716 4.751 4.660 4.830 0.114 6 0 "[ . 1]" 3 1175 1 33 LEU H 1 33 LEU HB3 3.939 . 5.878 3.463 3.146 3.603 . 0 0 "[ . 1]" 3 1176 2 33 LEU H 2 33 LEU HB3 3.939 . 5.878 3.466 3.152 3.602 . 0 0 "[ . 1]" 3 1177 1 70 ARG QB 1 71 PHE H 2.747 . 3.690 3.445 3.131 3.612 . 0 0 "[ . 1]" 3 1178 2 70 ARG QB 2 71 PHE H 2.747 . 3.690 3.445 3.130 3.612 . 0 0 "[ . 1]" 3 1179 1 12 GLU H 1 12 GLU HB2 2.106 . 2.660 2.898 2.492 3.449 0.789 6 3 "[ .+*- 1]" 3 1180 2 12 GLU H 2 12 GLU HB2 2.106 . 2.660 2.898 2.490 3.450 0.790 6 3 "[ .+*- 1]" 3 1181 1 21 LEU H 1 69 VAL HB 2.883 . 3.922 2.899 2.631 3.033 . 0 0 "[ . 1]" 3 1182 2 21 LEU H 2 69 VAL HB 2.883 . 3.922 2.900 2.633 3.034 . 0 0 "[ . 1]" 3 1183 1 85 VAL H 1 85 VAL HB 2.401 . 3.122 1.992 1.979 2.007 . 0 0 "[ . 1]" 3 1184 2 85 VAL H 2 85 VAL HB 2.401 . 3.122 1.992 1.979 2.007 . 0 0 "[ . 1]" 3 1185 1 25 LEU H 1 25 LEU HB2 3.125 . 4.346 3.080 2.631 3.873 . 0 0 "[ . 1]" 3 1186 2 25 LEU H 2 25 LEU HB2 3.125 . 4.346 3.080 2.632 3.875 . 0 0 "[ . 1]" 3 1187 1 25 LEU H 1 25 LEU HB3 2.962 . 4.059 3.738 3.542 3.893 . 0 0 "[ . 1]" 3 1188 2 25 LEU H 2 25 LEU HB3 2.962 . 4.059 3.738 3.542 3.893 . 0 0 "[ . 1]" 3 1189 1 22 LEU H 1 93 ARG HG3 2.788 . 3.760 3.781 3.439 3.998 0.238 9 0 "[ . 1]" 3 1190 2 22 LEU H 2 93 ARG HG3 2.788 . 3.760 3.781 3.438 3.999 0.239 9 0 "[ . 1]" 3 1191 1 21 LEU HB3 1 22 LEU H 2.721 . 3.646 3.410 3.288 3.563 . 0 0 "[ . 1]" 3 1192 2 21 LEU HB3 2 22 LEU H 2.721 . 3.646 3.409 3.286 3.561 . 0 0 "[ . 1]" 3 1193 1 46 LYS H 1 46 LYS HB2 2.292 . 2.948 2.604 2.504 2.664 . 0 0 "[ . 1]" 3 1194 2 46 LYS H 2 46 LYS HB2 2.292 . 2.948 2.605 2.504 2.665 . 0 0 "[ . 1]" 3 1195 1 72 GLU HB2 1 73 VAL H 2.769 . 3.727 3.209 3.094 3.344 . 0 0 "[ . 1]" 3 1196 2 72 GLU HB2 2 73 VAL H 2.769 . 3.727 3.209 3.093 3.344 . 0 0 "[ . 1]" 3 1197 1 58 PRO HB3 1 59 LEU H 2.822 . 3.817 3.654 3.272 3.932 0.115 3 0 "[ . 1]" 3 1198 2 58 PRO HB3 2 59 LEU H 2.822 . 3.817 3.655 3.272 3.931 0.114 3 0 "[ . 1]" 3 1199 1 35 ARG H 1 35 ARG QB 2.695 . 3.603 2.403 2.226 2.707 . 0 0 "[ . 1]" 3 1200 2 35 ARG H 2 35 ARG QB 2.695 . 3.603 2.404 2.229 2.706 . 0 0 "[ . 1]" 3 1201 1 56 GLN HB3 1 57 ARG H 2.381 . 3.089 3.270 2.386 3.943 0.854 2 1 "[ + . 1]" 3 1202 2 56 GLN HB3 2 57 ARG H 2.381 . 3.089 3.270 2.387 3.942 0.853 2 1 "[ + . 1]" 3 1203 1 5 LEU HB2 1 6 GLU H 2.652 . 3.531 3.335 2.608 3.902 0.371 9 0 "[ . 1]" 3 1204 2 5 LEU HB2 2 6 GLU H 2.652 . 3.531 3.334 2.609 3.902 0.371 9 0 "[ . 1]" 3 1205 1 11 GLU H 1 11 GLU QB 2.366 . 3.066 2.928 2.487 3.018 . 0 0 "[ . 1]" 3 1206 2 11 GLU H 2 11 GLU QB 2.366 . 3.066 2.927 2.487 3.017 . 0 0 "[ . 1]" 3 1207 1 25 LEU HB3 1 26 ARG H 2.628 . 3.492 2.644 1.848 3.719 0.227 1 0 "[ . 1]" 3 1208 2 25 LEU HB3 2 26 ARG H 2.628 . 3.492 2.644 1.848 3.723 0.231 1 0 "[ . 1]" 3 1209 1 9 VAL HB 1 10 PHE H 2.613 . 3.466 1.944 1.686 2.611 0.074 10 0 "[ . 1]" 3 1210 2 9 VAL HB 2 10 PHE H 2.613 . 3.466 1.944 1.688 2.611 0.072 10 0 "[ . 1]" 3 1211 1 78 LEU H 1 78 LEU HB2 2.755 . 3.704 2.341 2.296 2.365 . 0 0 "[ . 1]" 3 1212 2 78 LEU H 2 78 LEU HB2 2.755 . 3.704 2.341 2.296 2.363 . 0 0 "[ . 1]" 3 1213 1 66 GLU H 1 66 GLU HB3 2.840 . 3.849 3.664 3.357 3.939 0.090 5 0 "[ . 1]" 3 1214 2 66 GLU H 2 66 GLU HB3 2.840 . 3.849 3.664 3.357 3.939 0.090 5 0 "[ . 1]" 3 1215 1 78 LEU HB2 1 79 ALA H 2.585 . 3.420 3.313 3.262 3.343 . 0 0 "[ . 1]" 3 1216 2 78 LEU HB2 2 79 ALA H 2.585 . 3.420 3.313 3.262 3.340 . 0 0 "[ . 1]" 3 1217 1 92 VAL H 1 92 VAL HB 2.383 . 3.093 3.077 2.588 3.273 0.180 5 0 "[ . 1]" 3 1218 2 92 VAL H 2 92 VAL HB 2.383 . 3.093 3.077 2.588 3.273 0.180 5 0 "[ . 1]" 3 1219 1 12 GLU HB2 1 16 ASN H 3.196 . 4.472 4.183 2.293 4.783 0.311 8 0 "[ . 1]" 3 1220 2 12 GLU HB2 2 16 ASN H 3.196 . 4.472 4.182 2.295 4.784 0.312 8 0 "[ . 1]" 3 1221 1 13 ARG HB3 1 16 ASN H 3.101 . 4.303 4.181 4.007 4.287 . 0 0 "[ . 1]" 3 1222 2 13 ARG HB3 2 16 ASN H 3.101 . 4.303 4.180 4.007 4.285 . 0 0 "[ . 1]" 3 1223 1 38 LYS HB2 1 39 VAL H 2.427 . 3.163 3.075 2.901 3.197 0.034 8 0 "[ . 1]" 3 1224 2 38 LYS HB2 2 39 VAL H 2.427 . 3.163 3.075 2.900 3.195 0.032 8 0 "[ . 1]" 3 1225 1 66 GLU HB3 1 67 TYR H 2.563 . 3.384 3.185 2.004 3.941 0.557 3 1 "[ + . 1]" 3 1226 2 66 GLU HB3 2 67 TYR H 2.563 . 3.384 3.185 2.001 3.941 0.557 3 1 "[ + . 1]" 3 1227 1 4 PRO HB2 1 5 LEU H 2.759 . 3.710 2.964 2.755 3.146 . 0 0 "[ . 1]" 3 1228 2 4 PRO HB2 2 5 LEU H 2.759 . 3.710 2.963 2.755 3.144 . 0 0 "[ . 1]" 3 1229 1 5 LEU H 1 5 LEU HB2 2.091 . 2.638 2.257 2.171 2.360 . 0 0 "[ . 1]" 3 1230 2 5 LEU H 2 5 LEU HB2 2.091 . 2.638 2.257 2.172 2.360 . 0 0 "[ . 1]" 3 1231 1 49 HIS H 1 70 ARG QB 2.777 . 3.741 2.562 2.028 3.609 . 0 0 "[ . 1]" 3 1232 2 49 HIS H 2 70 ARG QB 2.777 . 3.741 2.562 2.029 3.608 . 0 0 "[ . 1]" 3 1233 1 84 SER H 1 87 ARG HB2 3.163 . 4.414 4.449 4.421 4.492 0.078 4 0 "[ . 1]" 3 1234 2 84 SER H 2 87 ARG HB2 3.163 . 4.414 4.449 4.422 4.492 0.078 4 0 "[ . 1]" 3 1235 1 84 SER H 1 85 VAL HB 3.059 . 4.229 4.156 4.121 4.196 . 0 0 "[ . 1]" 3 1236 2 84 SER H 2 85 VAL HB 3.059 . 4.229 4.156 4.120 4.194 . 0 0 "[ . 1]" 3 1237 1 46 LYS HB2 1 72 GLU H 2.899 . 3.950 3.781 3.712 3.914 . 0 0 "[ . 1]" 3 1238 2 46 LYS HB2 2 72 GLU H 2.899 . 3.950 3.782 3.712 3.914 . 0 0 "[ . 1]" 3 1239 1 93 ARG HB2 1 94 SER H 2.192 . 2.793 2.172 1.958 2.567 . 0 0 "[ . 1]" 3 1240 2 93 ARG HB2 2 94 SER H 2.192 . 2.793 2.172 1.956 2.566 . 0 0 "[ . 1]" 3 1241 1 93 ARG HG3 1 94 SER H 2.760 . 3.712 3.385 3.111 3.512 . 0 0 "[ . 1]" 3 1242 2 93 ARG HG3 2 94 SER H 2.760 . 3.712 3.385 3.108 3.511 . 0 0 "[ . 1]" 3 1243 1 19 LEU HB3 1 20 ASN H 2.592 . 3.432 3.370 3.036 3.486 0.054 4 0 "[ . 1]" 3 1244 2 19 LEU HB3 2 20 ASN H 2.592 . 3.432 3.370 3.037 3.484 0.052 4 0 "[ . 1]" 3 1245 1 39 VAL HB 1 40 PHE H 2.653 . 3.533 2.259 2.225 2.289 . 0 0 "[ . 1]" 3 1246 2 39 VAL HB 2 40 PHE H 2.653 . 3.533 2.259 2.227 2.288 . 0 0 "[ . 1]" 3 1247 1 23 PHE H 1 67 TYR QB 3.324 . 3.533 3.238 2.534 3.501 . 0 0 "[ . 1]" 3 1248 2 23 PHE H 2 67 TYR QB 3.324 . 3.533 3.238 2.532 3.500 . 0 0 "[ . 1]" 3 1249 1 82 LEU HB3 1 83 SER H 2.684 . 3.584 3.316 3.221 3.418 . 0 0 "[ . 1]" 3 1250 2 82 LEU HB3 2 83 SER H 2.684 . 3.584 3.316 3.219 3.419 . 0 0 "[ . 1]" 3 1251 1 93 ARG H 1 93 ARG HG2 2.678 . 3.574 2.462 2.097 2.662 . 0 0 "[ . 1]" 3 1252 2 93 ARG H 2 93 ARG HG2 2.678 . 3.574 2.462 2.098 2.663 . 0 0 "[ . 1]" 3 1253 1 47 ILE H 1 47 ILE HG13 2.515 . 3.306 3.377 3.341 3.415 0.109 8 0 "[ . 1]" 3 1254 2 47 ILE H 2 47 ILE HG13 2.515 . 3.306 3.378 3.342 3.414 0.108 8 0 "[ . 1]" 3 1255 1 55 ALA H 1 65 LEU QB 3.404 . 4.853 3.980 2.122 4.851 . 0 0 "[ . 1]" 3 1256 2 55 ALA H 2 65 LEU QB 3.404 . 4.853 3.980 2.120 4.851 . 0 0 "[ . 1]" 3 1257 1 13 ARG H 1 13 ARG HB2 2.924 . 3.992 3.290 3.093 3.749 . 0 0 "[ . 1]" 3 1258 2 13 ARG H 2 13 ARG HB2 2.924 . 3.992 3.289 3.093 3.750 . 0 0 "[ . 1]" 3 1259 1 13 ARG H 1 13 ARG HG2 3.565 . 5.154 3.963 3.659 4.104 . 0 0 "[ . 1]" 3 1260 2 13 ARG H 2 13 ARG HG2 3.565 . 5.154 3.963 3.658 4.103 . 0 0 "[ . 1]" 3 1261 1 19 LEU H 1 19 LEU HB2 3.625 . 5.267 3.939 3.848 4.022 . 0 0 "[ . 1]" 3 1262 2 19 LEU H 2 19 LEU HB2 3.625 . 5.267 3.939 3.848 4.022 . 0 0 "[ . 1]" 3 1263 1 59 LEU HB2 1 60 ALA H 2.913 . 3.974 2.932 1.934 4.154 0.180 1 0 "[ . 1]" 3 1264 2 59 LEU HB2 2 60 ALA H 2.913 . 3.974 2.933 1.935 4.153 0.179 1 0 "[ . 1]" 3 1265 1 60 ALA H 1 60 ALA MB 2.425 . 3.160 2.824 2.516 3.015 . 0 0 "[ . 1]" 3 1266 2 60 ALA H 2 60 ALA MB 2.425 . 3.160 2.824 2.517 3.016 . 0 0 "[ . 1]" 3 1267 1 7 ALA H 1 7 ALA MB 2.129 . 2.695 2.435 2.218 2.664 . 0 0 "[ . 1]" 3 1268 2 7 ALA H 2 7 ALA MB 2.129 . 2.695 2.435 2.218 2.664 . 0 0 "[ . 1]" 3 1269 1 21 LEU H 1 21 LEU HB2 3.301 . 4.663 2.776 2.683 2.850 . 0 0 "[ . 1]" 3 1270 2 21 LEU H 2 21 LEU HB2 3.301 . 4.663 2.777 2.683 2.852 . 0 0 "[ . 1]" 3 1271 1 80 ALA MB 1 81 LEU H 2.292 . 2.948 2.264 2.250 2.284 . 0 0 "[ . 1]" 3 1272 2 80 ALA MB 2 81 LEU H 2.292 . 2.948 2.263 2.251 2.286 . 0 0 "[ . 1]" 3 1273 1 21 LEU HB2 1 22 LEU H 3.103 . 4.306 4.365 4.271 4.439 0.133 5 0 "[ . 1]" 3 1274 2 21 LEU HB2 2 22 LEU H 3.103 . 4.306 4.364 4.268 4.436 0.130 5 0 "[ . 1]" 3 1275 1 46 LYS H 1 46 LYS QG 2.494 . 3.271 2.548 2.399 2.682 . 0 0 "[ . 1]" 3 1276 2 46 LYS H 2 46 LYS QG 2.494 . 3.271 2.548 2.400 2.680 . 0 0 "[ . 1]" 3 1277 1 35 ARG H 1 35 ARG QG 3.759 . 5.525 3.177 1.846 3.985 0.147 3 0 "[ . 1]" 3 1278 2 35 ARG H 2 35 ARG QG 3.759 . 5.525 3.179 1.845 3.986 0.148 3 0 "[ . 1]" 3 1279 1 57 ARG H 1 57 ARG HG2 2.383 . 3.093 2.405 1.639 3.205 0.112 3 0 "[ . 1]" 3 1280 2 57 ARG H 2 57 ARG HG2 2.383 . 3.093 2.405 1.640 3.203 0.110 3 0 "[ . 1]" 3 1281 1 26 ARG H 1 26 ARG HG3 3.174 . 4.433 4.033 2.869 4.969 0.536 5 1 "[ + 1]" 3 1282 2 26 ARG H 2 26 ARG HG3 3.174 . 4.433 4.031 2.869 4.968 0.535 5 1 "[ + 1]" 3 1283 1 65 LEU H 1 65 LEU QB 2.450 . 3.200 2.714 2.177 3.214 0.014 2 0 "[ . 1]" 3 1284 2 65 LEU H 2 65 LEU QB 2.450 . 3.200 2.714 2.178 3.214 0.014 2 0 "[ . 1]" 3 1285 1 65 LEU QB 1 66 GLU H 3.035 . 4.186 2.946 2.160 3.260 . 0 0 "[ . 1]" 3 1286 2 65 LEU QB 2 66 GLU H 3.035 . 4.186 2.946 2.160 3.260 . 0 0 "[ . 1]" 3 1287 1 79 ALA H 1 79 ALA MB 1.985 . 2.477 2.180 2.171 2.193 . 0 0 "[ . 1]" 3 1288 2 79 ALA H 2 79 ALA MB 1.985 . 2.477 2.180 2.171 2.194 . 0 0 "[ . 1]" 3 1289 1 81 LEU HB2 1 82 LEU H 3.212 . 4.501 3.835 3.780 3.867 . 0 0 "[ . 1]" 3 1290 2 81 LEU HB2 2 82 LEU H 3.212 . 4.501 3.835 3.780 3.867 . 0 0 "[ . 1]" 3 1291 1 7 ALA MB 1 8 VAL H 2.320 . 2.993 2.569 1.845 2.939 . 0 0 "[ . 1]" 3 1292 2 7 ALA MB 2 8 VAL H 2.320 . 2.993 2.569 1.847 2.939 . 0 0 "[ . 1]" 3 1293 1 50 LEU HB2 1 51 GLU H 3.799 . 5.603 4.202 3.940 4.283 . 0 0 "[ . 1]" 3 1294 2 50 LEU HB2 2 51 GLU H 3.799 . 5.603 4.203 3.941 4.285 . 0 0 "[ . 1]" 3 1295 1 13 ARG HB2 1 16 ASN H 3.603 . 5.225 5.305 5.180 5.366 0.141 4 0 "[ . 1]" 3 1296 2 13 ARG HB2 2 16 ASN H 3.603 . 5.225 5.305 5.182 5.366 0.141 4 0 "[ . 1]" 3 1297 1 77 ASP H 1 78 LEU HB2 3.056 . 4.224 4.403 4.365 4.443 0.219 2 0 "[ . 1]" 3 1298 2 77 ASP H 2 78 LEU HB2 3.056 . 4.224 4.403 4.365 4.445 0.221 2 0 "[ . 1]" 3 1299 1 77 ASP H 1 80 ALA MB 3.513 . 5.056 4.326 4.265 4.357 . 0 0 "[ . 1]" 3 1300 2 77 ASP H 2 80 ALA MB 3.513 . 5.056 4.326 4.265 4.356 . 0 0 "[ . 1]" 3 1301 1 41 GLU H 1 45 ALA MB 3.466 . 4.968 4.733 4.680 4.770 . 0 0 "[ . 1]" 3 1302 2 41 GLU H 2 45 ALA MB 3.466 . 4.968 4.734 4.681 4.771 . 0 0 "[ . 1]" 3 1303 1 45 ALA MB 1 72 GLU H 3.409 . 4.861 3.316 3.208 3.432 . 0 0 "[ . 1]" 3 1304 2 45 ALA MB 2 72 GLU H 3.409 . 4.861 3.316 3.208 3.434 . 0 0 "[ . 1]" 3 1305 1 60 ALA MB 1 62 SER H 3.858 . 5.718 4.401 4.025 4.834 . 0 0 "[ . 1]" 3 1306 2 60 ALA MB 2 62 SER H 3.858 . 5.718 4.400 4.025 4.834 . 0 0 "[ . 1]" 3 1307 1 19 LEU HB2 1 20 ASN H 2.577 . 3.407 1.944 1.843 2.072 . 0 0 "[ . 1]" 3 1308 2 19 LEU HB2 2 20 ASN H 2.577 . 3.407 1.944 1.841 2.072 . 0 0 "[ . 1]" 3 1309 1 44 GLU H 1 45 ALA MB 3.417 . 4.877 4.424 4.361 4.523 . 0 0 "[ . 1]" 3 1310 2 44 GLU H 2 45 ALA MB 3.417 . 4.877 4.423 4.361 4.524 . 0 0 "[ . 1]" 3 1311 1 22 LEU HB3 1 23 PHE H 2.836 . 3.841 2.632 2.355 2.754 . 0 0 "[ . 1]" 3 1312 2 22 LEU HB3 2 23 PHE H 2.836 . 3.841 2.632 2.355 2.753 . 0 0 "[ . 1]" 3 1313 1 22 LEU QD 1 69 VAL H 3.006 . 4.135 3.303 3.049 3.414 . 0 0 "[ . 1]" 3 1314 2 22 LEU QD 2 69 VAL H 3.006 . 4.135 3.303 3.049 3.414 . 0 0 "[ . 1]" 3 1315 1 19 LEU H 1 19 LEU HG 2.825 . 3.823 2.978 2.438 3.373 . 0 0 "[ . 1]" 3 1316 2 19 LEU H 2 19 LEU HG 2.825 . 3.823 2.978 2.438 3.374 . 0 0 "[ . 1]" 3 1317 1 33 LEU H 1 33 LEU HB2 3.226 . 4.527 2.271 2.123 2.582 . 0 0 "[ . 1]" 3 1318 2 33 LEU H 2 33 LEU HB2 3.226 . 4.527 2.273 2.123 2.582 . 0 0 "[ . 1]" 3 1319 1 81 LEU H 1 82 LEU HB2 3.125 . 4.346 4.147 4.123 4.183 . 0 0 "[ . 1]" 3 1320 2 81 LEU H 2 82 LEU HB2 3.125 . 4.346 4.148 4.129 4.182 . 0 0 "[ . 1]" 3 1321 1 73 VAL MG1 1 81 LEU H 3.428 . 4.897 4.027 3.990 4.060 . 0 0 "[ . 1]" 3 1322 2 73 VAL MG1 2 81 LEU H 3.428 . 4.897 4.027 3.989 4.056 . 0 0 "[ . 1]" 3 1323 1 67 TYR QB 1 68 PHE H 3.697 . 5.406 3.480 2.117 3.895 . 0 0 "[ . 1]" 3 1324 2 67 TYR QB 2 68 PHE H 3.697 . 5.406 3.480 2.117 3.895 . 0 0 "[ . 1]" 3 1325 1 73 VAL MG1 1 80 ALA H 3.360 . 4.771 4.590 4.564 4.605 . 0 0 "[ . 1]" 3 1326 2 73 VAL MG1 2 80 ALA H 3.360 . 4.771 4.589 4.564 4.607 . 0 0 "[ . 1]" 3 1327 1 78 LEU HB3 1 80 ALA H 3.217 . 4.511 4.213 4.170 4.239 . 0 0 "[ . 1]" 3 1328 2 78 LEU HB3 2 80 ALA H 3.217 . 4.511 4.213 4.172 4.239 . 0 0 "[ . 1]" 3 1329 1 78 LEU HG 1 79 ALA H 3.043 . 4.200 3.393 3.339 3.472 . 0 0 "[ . 1]" 3 1330 2 78 LEU HG 2 79 ALA H 3.043 . 4.200 3.393 3.338 3.471 . 0 0 "[ . 1]" 3 1331 1 78 LEU HB3 1 79 ALA H 2.810 . 3.797 1.844 1.808 1.882 0.015 6 0 "[ . 1]" 3 1332 2 78 LEU HB3 2 79 ALA H 2.810 . 3.797 1.843 1.810 1.882 0.013 6 0 "[ . 1]" 3 1333 1 82 LEU H 1 82 LEU HB2 2.754 . 3.702 2.125 2.113 2.138 . 0 0 "[ . 1]" 3 1334 2 82 LEU H 2 82 LEU HB2 2.754 . 3.702 2.125 2.112 2.137 . 0 0 "[ . 1]" 3 1335 1 67 TYR H 1 67 TYR QB 3.303 . 4.667 2.722 2.173 2.995 . 0 0 "[ . 1]" 3 1336 2 67 TYR H 2 67 TYR QB 3.303 . 4.667 2.722 2.174 2.996 . 0 0 "[ . 1]" 3 1337 1 73 VAL MG1 1 77 ASP H 2.917 . 3.981 3.656 3.591 3.779 . 0 0 "[ . 1]" 3 1338 2 73 VAL MG1 2 77 ASP H 2.917 . 3.981 3.656 3.591 3.777 . 0 0 "[ . 1]" 3 1339 1 82 LEU HB2 1 84 SER H 3.872 . 5.746 5.021 4.934 5.109 . 0 0 "[ . 1]" 3 1340 2 82 LEU HB2 2 84 SER H 3.872 . 5.746 5.021 4.935 5.107 . 0 0 "[ . 1]" 3 1341 1 19 LEU HG 1 20 ASN H 3.042 . 4.199 3.583 3.145 4.104 . 0 0 "[ . 1]" 3 1342 2 19 LEU HG 2 20 ASN H 3.042 . 4.199 3.583 3.146 4.105 . 0 0 "[ . 1]" 3 1343 1 82 LEU HB2 1 83 SER H 2.669 . 3.559 2.947 2.880 3.042 . 0 0 "[ . 1]" 3 1344 2 82 LEU HB2 2 83 SER H 2.669 . 3.559 2.947 2.880 3.045 . 0 0 "[ . 1]" 3 1345 1 69 VAL MG1 1 70 ARG H 2.529 . 3.328 2.130 2.105 2.256 . 0 0 "[ . 1]" 3 1346 2 69 VAL MG1 2 70 ARG H 2.529 . 3.328 2.130 2.104 2.256 . 0 0 "[ . 1]" 3 1347 1 92 VAL MG1 1 93 ARG H 2.311 . 2.978 1.981 1.600 2.388 0.044 4 0 "[ . 1]" 3 1348 2 92 VAL MG1 2 93 ARG H 2.311 . 2.978 1.982 1.600 2.387 0.044 4 0 "[ . 1]" 3 1349 1 47 ILE H 1 47 ILE MG 3.010 . 4.142 3.677 3.661 3.694 . 0 0 "[ . 1]" 3 1350 2 47 ILE H 2 47 ILE MG 3.010 . 4.142 3.677 3.662 3.695 . 0 0 "[ . 1]" 3 1351 1 55 ALA H 1 55 ALA MB 2.208 . 2.817 2.315 2.043 2.739 . 0 0 "[ . 1]" 3 1352 2 55 ALA H 2 55 ALA MB 2.208 . 2.817 2.315 2.042 2.741 . 0 0 "[ . 1]" 3 1353 1 13 ARG H 1 17 ALA MB 3.534 . 5.095 4.346 4.251 4.617 . 0 0 "[ . 1]" 3 1354 2 13 ARG H 2 17 ALA MB 3.534 . 5.095 4.346 4.252 4.616 . 0 0 "[ . 1]" 3 1355 1 69 VAL H 1 69 VAL MG2 2.683 . 3.583 2.604 2.508 2.704 . 0 0 "[ . 1]" 3 1356 2 69 VAL H 2 69 VAL MG2 2.683 . 3.583 2.604 2.509 2.704 . 0 0 "[ . 1]" 3 1357 1 18 VAL MG1 1 19 LEU H 2.269 . 2.913 2.525 2.263 2.790 . 0 0 "[ . 1]" 3 1358 2 18 VAL MG1 2 19 LEU H 2.269 . 2.913 2.525 2.263 2.790 . 0 0 "[ . 1]" 3 1359 1 55 ALA H 1 65 LEU MD1 2.571 . 3.398 3.280 2.875 3.428 0.030 7 0 "[ . 1]" 3 1360 2 55 ALA H 2 65 LEU MD1 2.571 . 3.398 3.280 2.875 3.426 0.028 7 0 "[ . 1]" 3 1361 1 12 GLU H 1 17 ALA MB 3.384 . 4.816 4.243 3.197 4.590 . 0 0 "[ . 1]" 3 1362 2 12 GLU H 2 17 ALA MB 3.384 . 4.816 4.243 3.197 4.590 . 0 0 "[ . 1]" 3 1363 1 59 LEU MD2 1 60 ALA H 3.191 . 4.464 4.134 3.818 4.325 . 0 0 "[ . 1]" 3 1364 2 59 LEU MD2 2 60 ALA H 3.191 . 4.464 4.134 3.819 4.326 . 0 0 "[ . 1]" 3 1365 1 7 ALA H 1 8 VAL QG 2.838 . 3.845 3.493 2.744 3.815 . 0 0 "[ . 1]" 3 1366 2 7 ALA H 2 8 VAL QG 2.838 . 3.845 3.493 2.742 3.814 . 0 0 "[ . 1]" 3 1367 1 21 LEU H 1 21 LEU MD2 2.995 . 4.116 3.011 2.717 3.186 . 0 0 "[ . 1]" 3 1368 2 21 LEU H 2 21 LEU MD2 2.995 . 4.116 3.012 2.732 3.187 . 0 0 "[ . 1]" 3 1369 1 21 LEU H 1 69 VAL MG2 3.173 . 4.431 3.980 3.702 4.116 . 0 0 "[ . 1]" 3 1370 2 21 LEU H 2 69 VAL MG2 3.173 . 4.431 3.979 3.703 4.117 . 0 0 "[ . 1]" 3 1371 1 39 VAL MG2 1 85 VAL H 2.842 . 3.852 2.358 2.185 2.502 . 0 0 "[ . 1]" 3 1372 2 39 VAL MG2 2 85 VAL H 2.842 . 3.852 2.358 2.182 2.501 . 0 0 "[ . 1]" 3 1373 1 85 VAL H 1 88 VAL MG2 3.046 . 4.206 4.012 3.952 4.049 . 0 0 "[ . 1]" 3 1374 2 85 VAL H 2 88 VAL MG2 3.046 . 4.206 4.012 3.952 4.048 . 0 0 "[ . 1]" 3 1375 1 81 LEU H 1 81 LEU HG 3.034 . 4.184 1.959 1.897 1.982 . 0 0 "[ . 1]" 3 1376 2 81 LEU H 2 81 LEU HG 3.034 . 4.184 1.958 1.897 1.980 . 0 0 "[ . 1]" 3 1377 1 25 LEU H 1 25 LEU MD1 3.447 . 4.932 3.030 2.230 3.595 . 0 0 "[ . 1]" 3 1378 2 25 LEU H 2 25 LEU MD1 3.447 . 4.932 3.031 2.232 3.595 . 0 0 "[ . 1]" 3 1379 1 25 LEU H 1 25 LEU MD2 3.335 . 4.725 1.946 1.536 2.522 0.409 10 0 "[ . 1]" 3 1380 2 25 LEU H 2 25 LEU MD2 3.335 . 4.725 1.946 1.537 2.523 0.408 10 0 "[ . 1]" 3 1381 1 21 LEU MD1 1 22 LEU H 2.550 . 3.363 3.215 3.128 3.285 . 0 0 "[ . 1]" 3 1382 2 21 LEU MD1 2 22 LEU H 2.550 . 3.363 3.214 3.128 3.282 . 0 0 "[ . 1]" 3 1383 1 68 PHE H 1 69 VAL MG2 3.018 . 4.157 3.667 2.608 3.902 . 0 0 "[ . 1]" 3 1384 2 68 PHE H 2 69 VAL MG2 3.018 . 4.157 3.667 2.607 3.900 . 0 0 "[ . 1]" 3 1385 1 73 VAL H 1 78 LEU MD1 3.471 . 4.977 3.033 2.897 3.187 . 0 0 "[ . 1]" 3 1386 2 73 VAL H 2 78 LEU MD1 3.471 . 4.977 3.033 2.897 3.185 . 0 0 "[ . 1]" 3 1387 1 59 LEU H 1 59 LEU MD1 2.595 . 3.437 2.590 1.569 3.251 0.184 4 0 "[ . 1]" 3 1388 2 59 LEU H 2 59 LEU MD1 2.595 . 3.437 2.590 1.567 3.252 0.186 4 0 "[ . 1]" 3 1389 1 80 ALA H 1 81 LEU HG 3.154 . 4.397 4.116 4.048 4.141 . 0 0 "[ . 1]" 3 1390 2 80 ALA H 2 81 LEU HG 3.154 . 4.397 4.116 4.047 4.142 . 0 0 "[ . 1]" 3 1391 1 80 ALA H 1 82 LEU MD2 4.002 . 6.004 4.869 4.797 4.947 . 0 0 "[ . 1]" 3 1392 2 80 ALA H 2 82 LEU MD2 4.002 . 6.004 4.868 4.797 4.945 . 0 0 "[ . 1]" 3 1393 1 35 ARG H 1 88 VAL MG1 3.699 . 5.409 4.154 3.819 4.442 . 0 0 "[ . 1]" 3 1394 2 35 ARG H 2 88 VAL MG1 3.699 . 5.409 4.156 3.821 4.446 . 0 0 "[ . 1]" 3 1395 1 17 ALA MB 1 18 VAL H 2.754 . 3.702 3.049 2.942 3.178 . 0 0 "[ . 1]" 3 1396 2 17 ALA MB 2 18 VAL H 2.754 . 3.702 3.049 2.942 3.179 . 0 0 "[ . 1]" 3 1397 1 90 ASP H 1 92 VAL MG2 3.141 . 4.374 2.916 2.305 3.333 . 0 0 "[ . 1]" 3 1398 2 90 ASP H 2 92 VAL MG2 3.141 . 4.374 2.917 2.306 3.330 . 0 0 "[ . 1]" 3 1399 1 25 LEU MD1 1 26 ARG H 3.653 . 5.321 3.992 3.315 4.859 . 0 0 "[ . 1]" 3 1400 2 25 LEU MD1 2 26 ARG H 3.653 . 5.321 3.992 3.314 4.861 . 0 0 "[ . 1]" 3 1401 1 65 LEU H 1 65 LEU MD2 2.686 . 3.588 3.278 2.354 3.650 0.062 8 0 "[ . 1]" 3 1402 2 65 LEU H 2 65 LEU MD2 2.686 . 3.588 3.278 2.354 3.650 0.062 8 0 "[ . 1]" 3 1403 1 9 VAL MG2 1 10 PHE H 2.335 . 3.016 2.606 1.715 2.968 . 0 0 "[ . 1]" 3 1404 2 9 VAL MG2 2 10 PHE H 2.335 . 3.016 2.607 1.714 2.969 . 0 0 "[ . 1]" 3 1405 1 52 THR MG 1 53 ARG H 2.717 . 3.640 2.941 2.289 3.286 . 0 0 "[ . 1]" 3 1406 2 52 THR MG 2 53 ARG H 2.717 . 3.640 2.941 2.289 3.286 . 0 0 "[ . 1]" 3 1407 1 65 LEU MD1 1 66 GLU H 2.741 . 3.680 2.352 1.717 3.472 0.085 6 0 "[ . 1]" 3 1408 2 65 LEU MD1 2 66 GLU H 2.741 . 3.680 2.352 1.717 3.472 0.085 6 0 "[ . 1]" 3 1409 1 79 ALA H 1 82 LEU MD2 2.769 . 3.728 3.594 3.533 3.617 . 0 0 "[ . 1]" 3 1410 2 79 ALA H 2 82 LEU MD2 2.769 . 3.728 3.593 3.532 3.616 . 0 0 "[ . 1]" 3 1411 1 81 LEU HG 1 82 LEU H 3.047 . 4.208 3.631 3.599 3.689 . 0 0 "[ . 1]" 3 1412 2 81 LEU HG 2 82 LEU H 3.047 . 4.208 3.632 3.600 3.689 . 0 0 "[ . 1]" 3 1413 1 82 LEU H 1 82 LEU MD1 2.550 . 3.363 2.421 2.375 2.452 . 0 0 "[ . 1]" 3 1414 2 82 LEU H 2 82 LEU MD1 2.550 . 3.363 2.422 2.376 2.453 . 0 0 "[ . 1]" 3 1415 1 92 VAL H 1 92 VAL MG2 2.099 . 2.650 2.018 1.345 2.628 0.203 4 0 "[ . 1]" 3 1416 2 92 VAL H 2 92 VAL MG2 2.099 . 2.650 2.017 1.345 2.626 0.203 4 0 "[ . 1]" 3 1417 1 8 VAL H 1 8 VAL QG 1.974 . 2.461 2.132 1.543 2.557 0.096 6 0 "[ . 1]" 3 1418 2 8 VAL H 2 8 VAL QG 1.974 . 2.461 2.132 1.541 2.557 0.096 6 0 "[ . 1]" 3 1419 1 42 THR H 1 42 THR MG 2.735 . 3.670 2.499 2.408 2.555 . 0 0 "[ . 1]" 3 1420 2 42 THR H 2 42 THR MG 2.735 . 3.670 2.499 2.408 2.553 . 0 0 "[ . 1]" 3 1421 1 16 ASN H 1 17 ALA MB 3.811 . 5.627 5.009 4.955 5.083 . 0 0 "[ . 1]" 3 1422 2 16 ASN H 2 17 ALA MB 3.811 . 5.627 5.009 4.957 5.082 . 0 0 "[ . 1]" 3 1423 1 16 ASN H 1 18 VAL MG2 3.877 . 5.756 4.840 4.694 5.014 . 0 0 "[ . 1]" 3 1424 2 16 ASN H 2 18 VAL MG2 3.877 . 5.756 4.840 4.695 5.013 . 0 0 "[ . 1]" 3 1425 1 22 LEU QD 1 67 TYR H 2.996 . 4.118 3.467 2.710 3.951 . 0 0 "[ . 1]" 3 1426 2 22 LEU QD 2 67 TYR H 2.996 . 4.118 3.468 2.710 3.951 . 0 0 "[ . 1]" 3 1427 1 5 LEU H 1 5 LEU MD1 2.639 . 3.510 3.431 3.405 3.466 . 0 0 "[ . 1]" 3 1428 2 5 LEU H 2 5 LEU MD1 2.639 . 3.510 3.431 3.406 3.467 . 0 0 "[ . 1]" 3 1429 1 59 LEU H 1 59 LEU HB2 2.330 . 3.009 2.517 2.189 3.451 0.442 4 0 "[ . 1]" 3 1430 2 59 LEU H 2 59 LEU HB2 2.330 . 3.009 2.517 2.191 3.450 0.441 4 0 "[ . 1]" 3 1431 1 47 ILE MG 1 49 HIS H 2.590 . 3.429 2.879 2.667 3.004 . 0 0 "[ . 1]" 3 1432 2 47 ILE MG 2 49 HIS H 2.590 . 3.429 2.879 2.665 3.003 . 0 0 "[ . 1]" 3 1433 1 39 VAL MG2 1 84 SER H 2.915 . 3.977 3.655 3.578 3.690 . 0 0 "[ . 1]" 3 1434 2 39 VAL MG2 2 84 SER H 2.915 . 3.977 3.654 3.577 3.689 . 0 0 "[ . 1]" 3 1435 1 41 GLU H 1 42 THR MG 3.290 . 4.643 4.198 3.912 4.366 . 0 0 "[ . 1]" 3 1436 2 41 GLU H 2 42 THR MG 3.290 . 4.643 4.199 3.913 4.365 . 0 0 "[ . 1]" 3 1437 1 42 THR MG 1 43 PHE H 3.519 . 5.067 1.876 1.721 1.930 0.250 10 0 "[ . 1]" 3 1438 2 42 THR MG 2 43 PHE H 3.519 . 5.067 1.877 1.722 1.932 0.249 10 0 "[ . 1]" 3 1439 1 24 SER H 1 25 LEU MD1 3.019 . 4.158 3.481 2.347 3.968 . 0 0 "[ . 1]" 3 1440 2 24 SER H 2 25 LEU MD1 3.019 . 4.158 3.481 2.346 3.969 . 0 0 "[ . 1]" 3 1441 1 39 VAL MG2 1 40 PHE H 3.632 . 5.281 3.777 3.759 3.795 . 0 0 "[ . 1]" 3 1442 2 39 VAL MG2 2 40 PHE H 3.632 . 5.281 3.777 3.759 3.795 . 0 0 "[ . 1]" 3 1443 1 42 THR MG 1 44 GLU H 4.159 . 6.321 4.042 3.988 4.110 . 0 0 "[ . 1]" 3 1444 2 42 THR MG 2 44 GLU H 4.159 . 6.321 4.043 3.987 4.110 . 0 0 "[ . 1]" 3 1445 1 37 VAL H 1 37 VAL QG 2.794 . 3.770 1.551 1.474 1.856 0.344 3 0 "[ . 1]" 3 1446 2 37 VAL H 2 37 VAL QG 2.794 . 3.770 1.555 1.472 1.870 0.346 3 0 "[ . 1]" 3 1447 1 50 LEU MD1 1 52 THR H 3.148 . 4.387 3.899 3.518 4.142 . 0 0 "[ . 1]" 3 1448 2 50 LEU MD1 2 52 THR H 3.148 . 4.387 3.899 3.517 4.141 . 0 0 "[ . 1]" 3 1449 1 47 ILE H 1 47 ILE MD 2.535 . 3.338 2.265 2.196 2.336 . 0 0 "[ . 1]" 3 1450 2 47 ILE H 2 47 ILE MD 2.535 . 3.338 2.265 2.194 2.336 . 0 0 "[ . 1]" 3 1451 1 19 LEU H 1 19 LEU QD 2.429 . 3.166 2.305 2.043 3.005 . 0 0 "[ . 1]" 3 1452 2 19 LEU H 2 19 LEU QD 2.429 . 3.166 2.305 2.041 3.005 . 0 0 "[ . 1]" 3 1453 1 39 VAL MG1 1 85 VAL H 3.244 . 4.015 3.009 2.920 3.062 . 0 0 "[ . 1]" 3 1454 2 39 VAL MG1 2 85 VAL H 3.244 . 4.015 3.010 2.920 3.062 . 0 0 "[ . 1]" 3 1455 1 81 LEU H 1 81 LEU HB3 2.652 . 3.531 3.114 3.105 3.128 . 0 0 "[ . 1]" 3 1456 2 81 LEU H 2 81 LEU HB3 2.652 . 3.531 3.114 3.104 3.130 . 0 0 "[ . 1]" 3 1457 1 19 LEU QD 1 73 VAL H 3.341 . 4.736 3.727 3.482 4.209 . 0 0 "[ . 1]" 3 1458 2 19 LEU QD 2 73 VAL H 3.341 . 4.736 3.728 3.483 4.208 . 0 0 "[ . 1]" 3 1459 1 80 ALA H 1 81 LEU HB3 3.835 . 5.673 5.746 5.736 5.764 0.091 8 0 "[ . 1]" 3 1460 2 80 ALA H 2 81 LEU HB3 3.835 . 5.673 5.746 5.737 5.764 0.091 8 0 "[ . 1]" 3 1461 1 80 ALA H 1 81 LEU MD1 3.123 . 4.342 3.802 3.769 3.839 . 0 0 "[ . 1]" 3 1462 2 80 ALA H 2 81 LEU MD1 3.123 . 4.342 3.802 3.770 3.840 . 0 0 "[ . 1]" 3 1463 1 18 VAL H 1 19 LEU QD 3.607 . 5.233 3.238 2.815 3.467 . 0 0 "[ . 1]" 3 1464 2 18 VAL H 2 19 LEU QD 3.607 . 5.233 3.238 2.814 3.468 . 0 0 "[ . 1]" 3 1465 1 78 LEU H 1 81 LEU MD2 3.758 . 5.523 5.236 5.202 5.276 . 0 0 "[ . 1]" 3 1466 2 78 LEU H 2 81 LEU MD2 3.758 . 5.523 5.236 5.203 5.277 . 0 0 "[ . 1]" 3 1467 1 11 GLU H 1 19 LEU QD 2.511 . 3.299 3.013 1.822 4.161 0.862 2 1 "[ + . 1]" 3 1468 2 11 GLU H 2 19 LEU QD 2.511 . 3.299 3.014 1.822 4.160 0.861 2 1 "[ + . 1]" 3 1469 1 85 VAL MG1 1 86 ARG H 2.673 . 3.566 2.902 2.674 3.075 . 0 0 "[ . 1]" 3 1470 2 85 VAL MG1 2 86 ARG H 2.673 . 3.566 2.902 2.674 3.073 . 0 0 "[ . 1]" 3 1471 1 39 VAL MG1 1 84 SER H 2.869 . 3.898 3.861 3.837 3.886 . 0 0 "[ . 1]" 3 1472 2 39 VAL MG1 2 84 SER H 2.869 . 3.898 3.862 3.837 3.886 . 0 0 "[ . 1]" 3 1473 1 84 SER H 1 85 VAL MG1 4.296 . 6.603 5.224 5.080 5.303 . 0 0 "[ . 1]" 3 1474 2 84 SER H 2 85 VAL MG1 4.296 . 6.603 5.224 5.080 5.302 . 0 0 "[ . 1]" 3 1475 1 39 VAL MG1 1 40 PHE H 3.247 . 4.565 2.464 2.400 2.515 . 0 0 "[ . 1]" 3 1476 2 39 VAL MG1 2 40 PHE H 3.247 . 4.565 2.464 2.401 2.514 . 0 0 "[ . 1]" 3 1477 1 81 LEU MD1 1 83 SER H 3.241 . 4.554 4.254 4.225 4.277 . 0 0 "[ . 1]" 3 1478 2 81 LEU MD1 2 83 SER H 3.241 . 4.554 4.253 4.224 4.278 . 0 0 "[ . 1]" 3 1479 1 57 ARG H 1 57 ARG HA 2.514 . 3.304 2.468 2.255 2.878 . 0 0 "[ . 1]" 3 1480 2 57 ARG H 2 57 ARG HA 2.514 . 3.304 2.468 2.256 2.878 . 0 0 "[ . 1]" 3 1481 1 80 ALA H 1 80 ALA MB 2.005 . 2.508 2.182 2.177 2.195 . 0 0 "[ . 1]" 3 1482 2 80 ALA H 2 80 ALA MB 2.005 . 2.508 2.182 2.176 2.196 . 0 0 "[ . 1]" 3 1483 1 70 ARG HA 1 71 PHE H 2.472 . 3.236 2.170 2.157 2.201 . 0 0 "[ . 1]" 3 1484 2 70 ARG HA 2 71 PHE H 2.472 . 3.236 2.170 2.158 2.201 . 0 0 "[ . 1]" 3 1485 1 5 LEU MD2 1 6 GLU H 3.145 . 4.381 4.056 3.883 4.205 . 0 0 "[ . 1]" 3 1486 2 5 LEU MD2 2 6 GLU H 3.145 . 4.381 4.056 3.882 4.205 . 0 0 "[ . 1]" 3 1487 1 77 ASP HB2 1 78 LEU H 3.255 . 4.579 3.252 3.176 3.562 . 0 0 "[ . 1]" 3 1488 2 77 ASP HB2 2 78 LEU H 3.255 . 4.579 3.251 3.176 3.561 . 0 0 "[ . 1]" 3 1489 1 74 PRO HB2 1 75 SER H 3.201 . 4.482 4.044 4.008 4.086 . 0 0 "[ . 1]" 3 1490 2 74 PRO HB2 2 75 SER H 3.201 . 4.482 4.043 4.008 4.088 . 0 0 "[ . 1]" 3 1491 1 16 ASN HA 1 75 SER H 2.433 . 3.173 1.713 1.649 1.855 0.044 9 0 "[ . 1]" 3 1492 2 16 ASN HA 2 75 SER H 2.433 . 3.173 1.713 1.651 1.852 0.042 9 0 "[ . 1]" 3 1493 1 43 PHE H 1 43 PHE HD2 2.687 . 3.590 3.018 2.894 3.094 . 0 0 "[ . 1]" 3 1494 2 43 PHE H 2 43 PHE HD2 2.687 . 3.590 3.018 2.893 3.095 . 0 0 "[ . 1]" 3 1495 1 21 LEU H 1 70 ARG H 3.791 . 5.588 5.007 4.919 5.157 . 0 0 "[ . 1]" 3 1496 2 21 LEU H 2 70 ARG H 3.791 . 5.588 5.008 4.916 5.156 . 0 0 "[ . 1]" 3 1497 1 21 LEU H 1 71 PHE H 4.029 . 6.059 5.303 5.100 5.475 . 0 0 "[ . 1]" 3 1498 2 21 LEU H 2 71 PHE H 4.029 . 6.059 5.305 5.098 5.473 . 0 0 "[ . 1]" 3 1499 1 20 ASN HD21 1 95 ALA H 4.197 . 6.399 3.397 1.926 4.573 0.069 10 0 "[ . 1]" 3 1500 2 20 ASN HD21 2 95 ALA H 4.197 . 6.399 3.396 1.925 4.572 0.070 10 0 "[ . 1]" 3 1501 1 34 SER HA 1 37 VAL H 4.226 . 6.459 3.413 3.224 3.852 . 0 0 "[ . 1]" 3 1502 2 34 SER HA 2 37 VAL H 4.226 . 6.459 3.411 3.225 3.853 . 0 0 "[ . 1]" 3 1503 1 86 ARG H 1 86 ARG HA 2.716 . 3.638 2.894 2.870 2.909 . 0 0 "[ . 1]" 3 1504 2 86 ARG H 2 86 ARG HA 2.716 . 3.638 2.894 2.871 2.909 . 0 0 "[ . 1]" 3 1505 1 43 PHE HE2 1 81 LEU H 3.209 . 4.496 3.787 3.736 3.855 . 0 0 "[ . 1]" 3 1506 2 43 PHE HE2 2 81 LEU H 3.209 . 4.496 3.787 3.734 3.854 . 0 0 "[ . 1]" 3 1507 1 40 PHE H 1 41 GLU H 3.342 . 4.738 2.723 2.659 2.763 . 0 0 "[ . 1]" 3 1508 2 40 PHE H 2 41 GLU H 3.342 . 4.738 2.723 2.658 2.761 . 0 0 "[ . 1]" 3 1509 1 48 HIS HD2 1 49 HIS H 3.813 . 5.630 5.657 5.480 5.757 0.127 2 0 "[ . 1]" 3 1510 2 48 HIS HD2 2 49 HIS H 3.813 . 5.630 5.657 5.480 5.759 0.129 2 0 "[ . 1]" 3 1511 1 23 PHE H 1 69 VAL H 4.021 . 6.042 6.013 5.883 6.124 0.082 5 0 "[ . 1]" 3 1512 2 23 PHE H 2 69 VAL H 4.021 . 6.042 6.013 5.879 6.123 0.081 5 0 "[ . 1]" 3 1513 1 69 VAL H 1 70 ARG H 3.413 . 4.869 4.350 4.311 4.373 . 0 0 "[ . 1]" 3 1514 2 69 VAL H 2 70 ARG H 3.413 . 4.869 4.350 4.312 4.375 . 0 0 "[ . 1]" 3 1515 1 13 ARG H 1 15 GLY H 3.313 . 4.685 3.632 2.821 3.936 . 0 0 "[ . 1]" 3 1516 2 13 ARG H 2 15 GLY H 3.313 . 4.685 3.632 2.821 3.936 . 0 0 "[ . 1]" 3 1517 1 38 LYS H 1 39 VAL H 3.853 . 5.709 2.516 2.460 2.606 . 0 0 "[ . 1]" 3 1518 2 38 LYS H 2 39 VAL H 3.853 . 5.709 2.516 2.461 2.606 . 0 0 "[ . 1]" 3 1519 1 22 LEU HA 1 69 VAL H 2.997 . 4.120 3.965 3.887 4.066 . 0 0 "[ . 1]" 3 1520 2 22 LEU HA 2 69 VAL H 2.997 . 4.120 3.966 3.890 4.066 . 0 0 "[ . 1]" 3 1521 1 51 GLU QG 1 68 PHE H 4.082 . 6.165 3.094 2.443 3.843 . 0 0 "[ . 1]" 3 1522 2 51 GLU QG 2 68 PHE H 4.082 . 6.165 3.094 2.445 3.841 . 0 0 "[ . 1]" 3 1523 1 10 PHE QE 1 11 GLU H 3.668 . 5.349 4.819 3.159 5.097 . 0 0 "[ . 1]" 3 1524 2 10 PHE QE 2 11 GLU H 3.668 . 5.349 4.820 3.160 5.096 . 0 0 "[ . 1]" 3 1525 1 82 LEU HA 1 83 SER H 3.387 . 4.821 3.501 3.486 3.523 . 0 0 "[ . 1]" 3 1526 2 82 LEU HA 2 83 SER H 3.387 . 4.821 3.502 3.486 3.523 . 0 0 "[ . 1]" 3 1527 1 83 SER H 1 84 SER HA 3.736 . 5.480 5.204 5.134 5.230 . 0 0 "[ . 1]" 3 1528 2 83 SER H 2 84 SER HA 3.736 . 5.480 5.204 5.134 5.230 . 0 0 "[ . 1]" 3 1529 1 83 SER H 1 84 SER H 2.314 . 2.984 2.526 2.447 2.556 . 0 0 "[ . 1]" 3 1530 2 83 SER H 2 84 SER H 2.314 . 2.984 2.526 2.447 2.556 . 0 0 "[ . 1]" 3 1531 1 83 SER H 1 85 VAL H 3.549 . 5.123 3.983 3.935 4.061 . 0 0 "[ . 1]" 3 1532 2 83 SER H 2 85 VAL H 3.549 . 5.123 3.983 3.936 4.063 . 0 0 "[ . 1]" 3 1533 1 47 ILE MG 1 50 LEU H 3.719 . 5.447 2.947 2.767 3.073 . 0 0 "[ . 1]" 3 1534 2 47 ILE MG 2 50 LEU H 3.719 . 5.447 2.948 2.767 3.072 . 0 0 "[ . 1]" 3 1535 1 46 LYS H 1 47 ILE HA 3.667 . 5.348 4.818 4.730 4.932 . 0 0 "[ . 1]" 3 1536 2 46 LYS H 2 47 ILE HA 3.667 . 5.348 4.817 4.730 4.933 . 0 0 "[ . 1]" 3 1537 1 46 LYS H 1 72 GLU HB2 3.547 . 5.119 5.011 4.887 5.100 . 0 0 "[ . 1]" 3 1538 2 46 LYS H 2 72 GLU HB2 3.547 . 5.119 5.011 4.885 5.099 . 0 0 "[ . 1]" 3 1539 1 46 LYS H 1 72 GLU HB3 3.511 . 5.052 4.434 4.316 4.509 . 0 0 "[ . 1]" 3 1540 2 46 LYS H 2 72 GLU HB3 3.511 . 5.052 4.434 4.315 4.509 . 0 0 "[ . 1]" 3 1541 1 46 LYS H 1 46 LYS QD 3.383 . 4.813 3.504 3.260 4.108 . 0 0 "[ . 1]" 3 1542 2 46 LYS H 2 46 LYS QD 3.383 . 4.813 3.505 3.261 4.109 . 0 0 "[ . 1]" 3 1543 1 49 HIS H 1 69 VAL HA 4.037 . 6.074 4.775 4.603 4.988 . 0 0 "[ . 1]" 3 1544 2 49 HIS H 2 69 VAL HA 4.037 . 6.074 4.775 4.604 4.988 . 0 0 "[ . 1]" 3 1545 1 48 HIS QB 1 49 HIS H 2.681 . 3.580 2.531 2.357 2.923 . 0 0 "[ . 1]" 3 1546 2 48 HIS QB 2 49 HIS H 2.681 . 3.580 2.531 2.355 2.923 . 0 0 "[ . 1]" 3 1547 1 49 HIS HA 1 50 LEU H 3.331 . 4.718 2.183 2.143 2.228 . 0 0 "[ . 1]" 3 1548 2 49 HIS HA 2 50 LEU H 3.331 . 4.718 2.183 2.143 2.229 . 0 0 "[ . 1]" 3 1549 1 54 PRO HD2 1 55 ALA H 3.902 . 5.805 5.486 5.260 5.596 . 0 0 "[ . 1]" 3 1550 2 54 PRO HD2 2 55 ALA H 3.902 . 5.805 5.486 5.261 5.596 . 0 0 "[ . 1]" 3 1551 1 56 GLN H 1 57 ARG HG2 3.394 . 4.833 3.047 2.183 4.699 . 0 0 "[ . 1]" 3 1552 2 56 GLN H 2 57 ARG HG2 3.394 . 4.833 3.046 2.184 4.698 . 0 0 "[ . 1]" 3 1553 1 57 ARG H 1 60 ALA MB 3.225 . 4.525 3.881 2.755 5.900 1.375 10 1 "[ . +]" 3 1554 2 57 ARG H 2 60 ALA MB 3.225 . 4.525 3.881 2.753 5.900 1.375 10 1 "[ . +]" 3 1555 1 59 LEU H 1 60 ALA H 3.454 . 4.945 2.996 2.112 4.569 . 0 0 "[ . 1]" 3 1556 2 59 LEU H 2 60 ALA H 3.454 . 4.945 2.996 2.111 4.570 . 0 0 "[ . 1]" 3 1557 1 59 LEU H 1 59 LEU HA 2.706 . 3.621 2.914 2.868 2.947 . 0 0 "[ . 1]" 3 1558 2 59 LEU H 2 59 LEU HA 2.706 . 3.621 2.914 2.868 2.946 . 0 0 "[ . 1]" 3 1559 1 58 PRO HD2 1 59 LEU H 4.308 . 6.627 3.414 2.434 4.642 . 0 0 "[ . 1]" 3 1560 2 58 PRO HD2 2 59 LEU H 4.308 . 6.627 3.414 2.437 4.643 . 0 0 "[ . 1]" 3 1561 1 60 ALA H 1 61 GLY H 3.957 . 5.914 3.721 2.323 4.385 . 0 0 "[ . 1]" 3 1562 2 60 ALA H 2 61 GLY H 3.957 . 5.914 3.721 2.324 4.384 . 0 0 "[ . 1]" 3 1563 1 75 SER HA 1 76 GLY H 2.612 . 3.465 3.462 3.444 3.485 0.020 2 0 "[ . 1]" 3 1564 2 75 SER HA 2 76 GLY H 2.612 . 3.465 3.462 3.443 3.485 0.020 2 0 "[ . 1]" 3 1565 1 76 GLY H 1 76 GLY HA3 2.276 . 2.924 2.359 2.340 2.386 . 0 0 "[ . 1]" 3 1566 2 76 GLY H 2 76 GLY HA3 2.276 . 2.924 2.358 2.340 2.386 . 0 0 "[ . 1]" 3 1567 1 74 PRO HA 1 76 GLY H 4.056 . 6.113 3.726 3.684 3.772 . 0 0 "[ . 1]" 3 1568 2 74 PRO HA 2 76 GLY H 4.056 . 6.113 3.726 3.682 3.773 . 0 0 "[ . 1]" 3 1569 1 76 GLY H 1 77 ASP HA 3.866 . 5.734 5.040 4.862 5.131 . 0 0 "[ . 1]" 3 1570 2 76 GLY H 2 77 ASP HA 3.866 . 5.734 5.040 4.864 5.128 . 0 0 "[ . 1]" 3 1571 1 64 HIS HD2 1 65 LEU H 3.580 . 5.182 3.477 2.032 4.544 . 0 0 "[ . 1]" 3 1572 2 64 HIS HD2 2 65 LEU H 3.580 . 5.182 3.476 2.032 4.544 . 0 0 "[ . 1]" 3 1573 1 24 SER QB 1 66 GLU H 3.660 . 5.335 4.192 3.129 5.172 . 0 0 "[ . 1]" 3 1574 2 24 SER QB 2 66 GLU H 3.660 . 5.335 4.192 3.128 5.172 . 0 0 "[ . 1]" 3 1575 1 66 GLU QG 1 67 TYR H 3.624 . 5.265 3.744 2.560 4.393 . 0 0 "[ . 1]" 3 1576 2 66 GLU QG 2 67 TYR H 3.624 . 5.265 3.744 2.559 4.392 . 0 0 "[ . 1]" 3 1577 1 20 ASN HD22 1 95 ALA H 3.859 . 5.721 4.158 3.078 5.619 . 0 0 "[ . 1]" 3 1578 2 20 ASN HD22 2 95 ALA H 3.859 . 5.721 4.159 3.080 5.620 . 0 0 "[ . 1]" 3 1579 1 68 PHE HE1 1 95 ALA H 3.434 . 4.908 4.834 4.652 4.937 0.029 2 0 "[ . 1]" 3 1580 2 68 PHE HE1 2 95 ALA H 3.434 . 4.908 4.834 4.651 4.936 0.028 2 0 "[ . 1]" 3 1581 1 68 PHE QD 1 95 ALA H 3.577 . 5.176 5.221 5.100 5.300 0.124 4 0 "[ . 1]" 3 1582 2 68 PHE QD 2 95 ALA H 3.577 . 5.176 5.221 5.099 5.300 0.124 4 0 "[ . 1]" 3 1583 1 21 LEU HA 1 95 ALA H 2.831 . 3.833 2.985 2.578 3.220 . 0 0 "[ . 1]" 3 1584 2 21 LEU HA 2 95 ALA H 2.831 . 3.833 2.985 2.580 3.221 . 0 0 "[ . 1]" 3 1585 1 20 ASN H 1 20 ASN HD22 3.550 . 5.125 3.945 2.833 5.333 0.208 2 0 "[ . 1]" 3 1586 2 20 ASN H 2 20 ASN HD22 3.550 . 5.125 3.945 2.832 5.333 0.208 2 0 "[ . 1]" 3 1587 1 3 ASN QB 1 6 GLU H 3.396 . 4.547 2.858 2.394 3.218 . 0 0 "[ . 1]" 3 1588 2 3 ASN QB 2 6 GLU H 3.396 . 4.547 2.858 2.395 3.218 . 0 0 "[ . 1]" 3 1589 1 90 ASP HA 1 92 VAL H 3.282 . 4.628 4.270 3.758 4.853 0.225 5 0 "[ . 1]" 3 1590 2 90 ASP HA 2 92 VAL H 3.282 . 4.628 4.270 3.759 4.852 0.224 5 0 "[ . 1]" 3 1591 1 89 SER QB 1 92 VAL H 3.764 . 5.535 3.893 3.118 5.031 . 0 0 "[ . 1]" 3 1592 2 89 SER QB 2 92 VAL H 3.764 . 5.535 3.893 3.117 5.032 . 0 0 "[ . 1]" 3 1593 1 91 ASP H 1 91 ASP HB3 2.871 . 3.901 3.169 2.551 3.845 . 0 0 "[ . 1]" 3 1594 2 91 ASP H 2 91 ASP HB3 2.871 . 3.901 3.169 2.551 3.846 . 0 0 "[ . 1]" 3 1595 1 24 SER H 1 24 SER QB 3.574 . 5.027 2.905 2.590 3.352 . 0 0 "[ . 1]" 3 1596 2 24 SER H 2 24 SER QB 3.574 . 5.027 2.905 2.589 3.352 . 0 0 "[ . 1]" 3 1597 1 23 PHE HB3 1 24 SER H 2.973 . 4.078 4.143 3.686 4.587 0.509 9 1 "[ . +1]" 3 1598 2 23 PHE HB3 2 24 SER H 2.973 . 4.078 4.143 3.688 4.584 0.506 9 1 "[ . +1]" 3 1599 1 33 LEU H 1 34 SER H 3.647 . 5.310 2.336 2.036 2.522 . 0 0 "[ . 1]" 3 1600 2 33 LEU H 2 34 SER H 3.647 . 5.310 2.354 2.088 2.524 . 0 0 "[ . 1]" 3 1601 1 35 ARG H 1 36 ALA H 2.932 . 4.007 2.620 2.280 2.833 . 0 0 "[ . 1]" 3 1602 2 35 ARG H 2 36 ALA H 2.932 . 4.007 2.622 2.283 2.837 . 0 0 "[ . 1]" 3 1603 1 35 ARG HA 1 36 ALA H 3.063 . 4.236 3.455 3.423 3.542 . 0 0 "[ . 1]" 3 1604 2 35 ARG HA 2 36 ALA H 3.063 . 4.236 3.455 3.423 3.540 . 0 0 "[ . 1]" 3 1605 1 35 ARG QG 1 36 ALA H 2.937 . 4.015 3.682 2.618 3.882 . 0 0 "[ . 1]" 3 1606 2 35 ARG QG 2 36 ALA H 2.937 . 4.015 3.682 2.619 3.885 . 0 0 "[ . 1]" 3 1607 1 36 ALA H 1 88 VAL MG1 2.988 . 4.104 3.305 2.851 3.589 . 0 0 "[ . 1]" 3 1608 2 36 ALA H 2 88 VAL MG1 2.988 . 4.104 3.305 2.849 3.591 . 0 0 "[ . 1]" 3 1609 1 48 HIS H 1 71 PHE HA 3.613 . 5.245 1.940 1.916 2.031 0.065 1 0 "[ . 1]" 3 1610 2 48 HIS H 2 71 PHE HA 3.613 . 5.245 1.940 1.917 2.033 0.064 1 0 "[ . 1]" 3 1611 1 48 HIS H 1 70 ARG QB 4.165 . 6.333 3.594 3.373 4.128 . 0 0 "[ . 1]" 3 1612 2 48 HIS H 2 70 ARG QB 4.165 . 6.333 3.594 3.374 4.128 . 0 0 "[ . 1]" 3 1613 1 76 GLY H 1 77 ASP HB2 3.374 . 4.797 4.576 3.949 4.767 . 0 0 "[ . 1]" 3 1614 2 76 GLY H 2 77 ASP HB2 3.374 . 4.797 4.577 3.950 4.765 . 0 0 "[ . 1]" 3 1615 1 48 HIS H 1 48 HIS HD1 3.521 . 5.070 2.895 2.333 3.796 . 0 0 "[ . 1]" 3 1616 2 48 HIS H 2 48 HIS HD1 3.521 . 5.070 2.896 2.332 3.799 . 0 0 "[ . 1]" 3 1617 1 51 GLU H 1 69 VAL MG2 2.733 . 3.666 2.657 2.330 3.141 . 0 0 "[ . 1]" 3 1618 2 51 GLU H 2 69 VAL MG2 2.733 . 3.666 2.656 2.330 3.141 . 0 0 "[ . 1]" 3 1619 1 52 THR H 1 68 PHE H 3.487 . 5.007 5.007 4.741 5.155 0.148 9 0 "[ . 1]" 3 1620 2 52 THR H 2 68 PHE H 3.487 . 5.007 5.007 4.743 5.149 0.142 9 0 "[ . 1]" 3 1621 1 51 GLU H 1 52 THR H 3.961 . 5.922 4.353 4.232 4.416 . 0 0 "[ . 1]" 3 1622 2 51 GLU H 2 52 THR H 3.961 . 5.922 4.353 4.233 4.415 . 0 0 "[ . 1]" 3 1623 1 52 THR H 1 67 TYR HA 5.039 . 8.213 5.133 4.757 5.489 . 0 0 "[ . 1]" 3 1624 2 52 THR H 2 67 TYR HA 5.039 . 8.213 5.133 4.757 5.490 . 0 0 "[ . 1]" 3 1625 1 25 LEU H 1 66 GLU HA 3.601 . 5.221 5.043 4.175 5.452 0.231 9 0 "[ . 1]" 3 1626 2 25 LEU H 2 66 GLU HA 3.601 . 5.221 5.042 4.175 5.452 0.231 9 0 "[ . 1]" 3 1627 1 25 LEU H 1 26 ARG H 3.605 . 5.229 4.356 4.233 4.487 . 0 0 "[ . 1]" 3 1628 2 25 LEU H 2 26 ARG H 3.605 . 5.229 4.356 4.234 4.486 . 0 0 "[ . 1]" 3 1629 1 24 SER H 1 25 LEU H 3.596 . 5.212 4.281 3.876 4.453 . 0 0 "[ . 1]" 3 1630 2 24 SER H 2 25 LEU H 3.596 . 5.212 4.281 3.874 4.454 . 0 0 "[ . 1]" 3 1631 1 24 SER H 1 90 ASP H 4.428 . 6.879 6.810 6.299 7.005 0.126 8 0 "[ . 1]" 3 1632 2 24 SER H 2 90 ASP H 4.428 . 6.879 6.810 6.300 7.007 0.128 8 0 "[ . 1]" 3 stop_ save_ save_distance_constraint_statistics_4 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 4 _Distance_constraint_stats_list.Constraint_count 1034 _Distance_constraint_stats_list.Viol_count 1092 _Distance_constraint_stats_list.Viol_total 1703.261 _Distance_constraint_stats_list.Viol_max 0.956 _Distance_constraint_stats_list.Viol_rms 0.0687 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0165 _Distance_constraint_stats_list.Viol_average_violations_only 0.1560 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 3 ASN 1.181 0.371 7 0 "[ . 1]" 1 4 PRO 1.369 0.102 1 0 "[ . 1]" 1 5 LEU 3.111 0.151 5 0 "[ . 1]" 1 6 GLU 8.548 0.802 6 2 "[ -.+ 1]" 1 7 ALA 5.825 0.802 6 5 "[* *.+ - *]" 1 8 VAL 2.233 0.653 10 3 "[* . - +]" 1 9 VAL 0.000 0.000 . 0 "[ . 1]" 1 10 PHE 0.527 0.193 6 0 "[ . 1]" 1 11 GLU 4.342 0.719 3 2 "[ + . - 1]" 1 12 GLU 2.017 0.369 3 0 "[ . 1]" 1 13 ARG 6.068 0.383 8 0 "[ . 1]" 1 14 ASP 0.000 0.000 . 0 "[ . 1]" 1 15 GLY 0.000 0.000 . 0 "[ . 1]" 1 16 ASN 0.581 0.151 8 0 "[ . 1]" 1 17 ALA 0.858 0.780 2 1 "[ + . 1]" 1 18 VAL 0.374 0.323 2 0 "[ . 1]" 1 19 LEU 1.687 0.223 8 0 "[ . 1]" 1 20 ASN 0.677 0.258 2 0 "[ . 1]" 1 21 LEU 0.932 0.176 10 0 "[ . 1]" 1 22 LEU 1.216 0.179 8 0 "[ . 1]" 1 23 PHE 1.451 0.230 4 0 "[ . 1]" 1 24 SER 0.000 0.000 . 0 "[ . 1]" 1 25 LEU 0.000 0.000 . 0 "[ . 1]" 1 26 ARG 6.124 0.956 5 6 "[** -+* *1]" 1 27 GLY 1.835 0.956 5 2 "[ -+ 1]" 1 28 THR 0.000 0.000 . 0 "[ . 1]" 1 31 SER 0.055 0.055 2 0 "[ . 1]" 1 32 SER 0.000 0.000 . 0 "[ . 1]" 1 33 LEU 1.638 0.376 8 0 "[ . 1]" 1 34 SER 0.000 0.000 . 0 "[ . 1]" 1 35 ARG 1.854 0.395 9 0 "[ . 1]" 1 36 ALA 0.000 0.000 . 0 "[ . 1]" 1 37 VAL 0.316 0.154 8 0 "[ . 1]" 1 38 LYS 7.536 0.551 10 2 "[ . - +]" 1 39 VAL 9.705 0.551 10 2 "[ . - +]" 1 40 PHE 1.603 0.222 8 0 "[ . 1]" 1 42 THR 0.027 0.023 7 0 "[ . 1]" 1 43 PHE 0.721 0.125 7 0 "[ . 1]" 1 44 GLU 0.000 0.000 . 0 "[ . 1]" 1 45 ALA 0.000 0.000 . 0 "[ . 1]" 1 46 LYS 3.501 0.649 6 1 "[ .+ 1]" 1 47 ILE 4.277 0.229 2 0 "[ . 1]" 1 48 HIS 0.320 0.106 3 0 "[ . 1]" 1 49 HIS 0.000 0.000 . 0 "[ . 1]" 1 50 LEU 2.264 0.315 7 0 "[ . 1]" 1 51 GLU 0.000 0.000 . 0 "[ . 1]" 1 52 THR 0.000 0.000 . 0 "[ . 1]" 1 53 ARG 0.000 0.000 . 0 "[ . 1]" 1 54 PRO 3.083 0.289 4 0 "[ . 1]" 1 55 ALA 1.689 0.289 4 0 "[ . 1]" 1 56 GLN 1.755 0.295 9 0 "[ . 1]" 1 57 ARG 3.595 0.445 4 0 "[ . 1]" 1 58 PRO 4.495 0.466 10 0 "[ . 1]" 1 59 LEU 0.751 0.688 4 1 "[ +. 1]" 1 60 ALA 0.000 0.000 . 0 "[ . 1]" 1 62 SER 0.128 0.128 1 0 "[ . 1]" 1 63 PRO 1.068 0.280 1 0 "[ . 1]" 1 65 LEU 0.272 0.142 9 0 "[ . 1]" 1 66 GLU 0.423 0.116 10 0 "[ . 1]" 1 67 TYR 1.503 0.376 8 0 "[ . 1]" 1 68 PHE 0.278 0.179 8 0 "[ . 1]" 1 69 VAL 2.242 0.315 7 0 "[ . 1]" 1 70 ARG 0.320 0.106 3 0 "[ . 1]" 1 71 PHE 0.000 0.000 . 0 "[ . 1]" 1 72 GLU 0.391 0.104 4 0 "[ . 1]" 1 73 VAL 4.428 0.430 1 0 "[ . 1]" 1 74 PRO 4.428 0.430 1 0 "[ . 1]" 1 75 SER 0.780 0.780 2 1 "[ + . 1]" 1 76 GLY 0.000 0.000 . 0 "[ . 1]" 1 77 ASP 0.000 0.000 . 0 "[ . 1]" 1 78 LEU 1.113 0.223 8 0 "[ . 1]" 1 79 ALA 0.000 0.000 . 0 "[ . 1]" 1 80 ALA 0.000 0.000 . 0 "[ . 1]" 1 81 LEU 2.240 0.271 7 0 "[ . 1]" 1 82 LEU 0.033 0.021 10 0 "[ . 1]" 1 83 SER 0.826 0.098 9 0 "[ . 1]" 1 84 SER 2.454 0.189 7 0 "[ . 1]" 1 85 VAL 0.321 0.079 4 0 "[ . 1]" 1 86 ARG 0.000 0.000 . 0 "[ . 1]" 1 87 ARG 3.137 0.189 7 0 "[ . 1]" 1 88 VAL 0.000 0.000 . 0 "[ . 1]" 1 89 SER 0.634 0.188 8 0 "[ . 1]" 1 90 ASP 0.000 0.000 . 0 "[ . 1]" 1 91 ASP 0.000 0.000 . 0 "[ . 1]" 1 92 VAL 1.924 0.230 4 0 "[ . 1]" 1 93 ARG 0.277 0.242 9 0 "[ . 1]" 1 94 SER 0.001 0.001 8 0 "[ . 1]" 1 95 ALA 0.678 0.258 2 0 "[ . 1]" 2 3 ASN 1.184 0.370 7 0 "[ . 1]" 2 4 PRO 1.365 0.102 10 0 "[ . 1]" 2 5 LEU 3.121 0.152 5 0 "[ . 1]" 2 6 GLU 8.549 0.802 4 2 "[ +.- 1]" 2 7 ALA 5.826 0.802 4 5 "[* +.* - *]" 2 8 VAL 2.234 0.653 10 3 "[* . - +]" 2 9 VAL 0.000 0.000 . 0 "[ . 1]" 2 10 PHE 0.527 0.192 6 0 "[ . 1]" 2 11 GLU 4.332 0.718 3 2 "[ + . - 1]" 2 12 GLU 2.011 0.367 3 0 "[ . 1]" 2 13 ARG 6.062 0.383 8 0 "[ . 1]" 2 14 ASP 0.000 0.000 . 0 "[ . 1]" 2 15 GLY 0.000 0.000 . 0 "[ . 1]" 2 16 ASN 0.582 0.151 8 0 "[ . 1]" 2 17 ALA 0.856 0.778 2 1 "[ + . 1]" 2 18 VAL 0.374 0.323 2 0 "[ . 1]" 2 19 LEU 1.688 0.223 8 0 "[ . 1]" 2 20 ASN 0.681 0.259 2 0 "[ . 1]" 2 21 LEU 0.906 0.151 10 0 "[ . 1]" 2 22 LEU 1.204 0.179 8 0 "[ . 1]" 2 23 PHE 1.445 0.229 4 0 "[ . 1]" 2 24 SER 0.000 0.000 . 0 "[ . 1]" 2 25 LEU 0.000 0.000 . 0 "[ . 1]" 2 26 ARG 6.085 0.955 5 6 "[** -+* *1]" 2 27 GLY 1.808 0.955 5 2 "[ -+ 1]" 2 28 THR 0.000 0.000 . 0 "[ . 1]" 2 31 SER 0.059 0.059 2 0 "[ . 1]" 2 32 SER 0.000 0.000 . 0 "[ . 1]" 2 33 LEU 1.651 0.376 8 0 "[ . 1]" 2 34 SER 0.000 0.000 . 0 "[ . 1]" 2 35 ARG 1.850 0.394 9 0 "[ . 1]" 2 36 ALA 0.000 0.000 . 0 "[ . 1]" 2 37 VAL 0.319 0.154 8 0 "[ . 1]" 2 38 LYS 7.539 0.550 10 2 "[ . - +]" 2 39 VAL 9.720 0.550 10 2 "[ . - +]" 2 40 PHE 1.598 0.221 8 0 "[ . 1]" 2 42 THR 0.023 0.021 7 0 "[ . 1]" 2 43 PHE 0.718 0.126 7 0 "[ . 1]" 2 44 GLU 0.000 0.000 . 0 "[ . 1]" 2 45 ALA 0.000 0.000 . 0 "[ . 1]" 2 46 LYS 3.499 0.649 6 1 "[ .+ 1]" 2 47 ILE 4.276 0.229 2 0 "[ . 1]" 2 48 HIS 0.319 0.106 3 0 "[ . 1]" 2 49 HIS 0.000 0.000 . 0 "[ . 1]" 2 50 LEU 2.263 0.313 7 0 "[ . 1]" 2 51 GLU 0.000 0.000 . 0 "[ . 1]" 2 52 THR 0.000 0.000 . 0 "[ . 1]" 2 53 ARG 0.000 0.000 . 0 "[ . 1]" 2 54 PRO 3.089 0.289 4 0 "[ . 1]" 2 55 ALA 1.695 0.289 4 0 "[ . 1]" 2 56 GLN 1.757 0.294 9 0 "[ . 1]" 2 57 ARG 3.591 0.444 4 0 "[ . 1]" 2 58 PRO 4.492 0.466 10 0 "[ . 1]" 2 59 LEU 0.751 0.687 4 1 "[ +. 1]" 2 60 ALA 0.000 0.000 . 0 "[ . 1]" 2 62 SER 0.128 0.128 1 0 "[ . 1]" 2 63 PRO 1.069 0.280 1 0 "[ . 1]" 2 65 LEU 0.278 0.141 9 0 "[ . 1]" 2 66 GLU 0.429 0.116 10 0 "[ . 1]" 2 67 TYR 1.506 0.376 8 0 "[ . 1]" 2 68 PHE 0.291 0.179 8 0 "[ . 1]" 2 69 VAL 2.242 0.313 7 0 "[ . 1]" 2 70 ARG 0.319 0.106 3 0 "[ . 1]" 2 71 PHE 0.000 0.000 . 0 "[ . 1]" 2 72 GLU 0.389 0.104 4 0 "[ . 1]" 2 73 VAL 4.421 0.430 5 0 "[ . 1]" 2 74 PRO 4.421 0.430 5 0 "[ . 1]" 2 75 SER 0.778 0.778 2 1 "[ + . 1]" 2 76 GLY 0.000 0.000 . 0 "[ . 1]" 2 77 ASP 0.000 0.000 . 0 "[ . 1]" 2 78 LEU 1.114 0.223 8 0 "[ . 1]" 2 79 ALA 0.000 0.000 . 0 "[ . 1]" 2 80 ALA 0.000 0.000 . 0 "[ . 1]" 2 81 LEU 2.244 0.270 7 0 "[ . 1]" 2 82 LEU 0.033 0.021 10 0 "[ . 1]" 2 83 SER 0.823 0.098 9 0 "[ . 1]" 2 84 SER 2.452 0.191 7 0 "[ . 1]" 2 85 VAL 0.322 0.079 4 0 "[ . 1]" 2 86 ARG 0.000 0.000 . 0 "[ . 1]" 2 87 ARG 3.149 0.191 7 0 "[ . 1]" 2 88 VAL 0.000 0.000 . 0 "[ . 1]" 2 89 SER 0.632 0.189 8 0 "[ . 1]" 2 90 ASP 0.000 0.000 . 0 "[ . 1]" 2 91 ASP 0.000 0.000 . 0 "[ . 1]" 2 92 VAL 1.917 0.229 4 0 "[ . 1]" 2 93 ARG 0.275 0.242 9 0 "[ . 1]" 2 94 SER 0.000 0.000 . 0 "[ . 1]" 2 95 ALA 0.681 0.259 2 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 31 SER HA 1 31 SER HB3 2.948 . 4.034 2.508 2.403 3.029 . 0 0 "[ . 1]" 4 2 2 31 SER HA 2 31 SER HB3 2.948 . 4.034 2.507 2.400 3.029 . 0 0 "[ . 1]" 4 3 1 63 PRO HA 1 63 PRO HD2 3.068 . 4.245 3.918 3.856 3.937 . 0 0 "[ . 1]" 4 4 2 63 PRO HA 2 63 PRO HD2 3.068 . 4.245 3.918 3.857 3.937 . 0 0 "[ . 1]" 4 5 1 58 PRO HA 1 58 PRO HB3 2.094 . 2.642 2.291 2.253 2.344 . 0 0 "[ . 1]" 4 6 2 58 PRO HA 2 58 PRO HB3 2.094 . 2.642 2.291 2.252 2.346 . 0 0 "[ . 1]" 4 7 1 26 ARG HA 1 26 ARG HB2 2.935 . 4.012 2.508 2.390 2.617 . 0 0 "[ . 1]" 4 8 2 26 ARG HA 2 26 ARG HB2 2.935 . 4.012 2.509 2.391 2.617 . 0 0 "[ . 1]" 4 9 1 26 ARG HA 1 26 ARG HG3 2.813 . 3.802 3.167 2.432 4.225 0.423 4 0 "[ . 1]" 4 10 2 26 ARG HA 2 26 ARG HG3 2.813 . 3.802 3.166 2.433 4.224 0.422 4 0 "[ . 1]" 4 11 1 31 SER HA 1 33 LEU QD 3.494 . 5.020 3.769 2.998 4.390 . 0 0 "[ . 1]" 4 12 2 31 SER HA 2 33 LEU QD 3.494 . 5.020 3.770 2.999 4.390 . 0 0 "[ . 1]" 4 13 1 14 ASP HA 1 15 GLY H 2.765 . 3.721 3.082 2.986 3.163 . 0 0 "[ . 1]" 4 14 2 14 ASP HA 2 15 GLY H 2.765 . 3.721 3.082 2.987 3.162 . 0 0 "[ . 1]" 4 15 1 9 VAL H 1 9 VAL HA 2.678 . 3.574 2.889 2.775 2.937 . 0 0 "[ . 1]" 4 16 2 9 VAL H 2 9 VAL HA 2.678 . 3.574 2.889 2.776 2.936 . 0 0 "[ . 1]" 4 17 1 7 ALA H 1 7 ALA HA 2.286 . 2.939 2.863 2.795 2.919 . 0 0 "[ . 1]" 4 18 2 7 ALA H 2 7 ALA HA 2.286 . 2.939 2.863 2.796 2.920 . 0 0 "[ . 1]" 4 19 1 4 PRO HA 1 5 LEU H 2.632 . 3.498 3.542 3.516 3.564 0.066 9 0 "[ . 1]" 4 20 2 4 PRO HA 2 5 LEU H 2.632 . 3.498 3.542 3.516 3.565 0.067 9 0 "[ . 1]" 4 21 1 4 PRO HA 1 6 GLU H 3.813 . 5.630 4.225 3.651 4.979 . 0 0 "[ . 1]" 4 22 2 4 PRO HA 2 6 GLU H 3.813 . 5.630 4.225 3.652 4.979 . 0 0 "[ . 1]" 4 23 1 8 VAL H 1 8 VAL HA 2.916 . 3.979 2.823 2.265 2.940 . 0 0 "[ . 1]" 4 24 2 8 VAL H 2 8 VAL HA 2.916 . 3.979 2.823 2.265 2.940 . 0 0 "[ . 1]" 4 25 1 43 PHE HA 1 43 PHE HD2 2.792 . 3.767 3.836 3.816 3.892 0.125 7 0 "[ . 1]" 4 26 2 43 PHE HA 2 43 PHE HD2 2.792 . 3.767 3.836 3.818 3.893 0.126 7 0 "[ . 1]" 4 27 1 87 ARG H 1 87 ARG HA 2.734 . 3.668 2.883 2.868 2.896 . 0 0 "[ . 1]" 4 28 2 87 ARG H 2 87 ARG HA 2.734 . 3.668 2.882 2.868 2.895 . 0 0 "[ . 1]" 4 29 1 94 SER HA 1 95 ALA HA 3.243 . 4.558 4.338 4.279 4.379 . 0 0 "[ . 1]" 4 30 2 94 SER HA 2 95 ALA HA 3.243 . 4.558 4.338 4.278 4.379 . 0 0 "[ . 1]" 4 31 1 56 GLN H 1 56 GLN HA 2.459 . 3.215 2.806 2.294 2.909 . 0 0 "[ . 1]" 4 32 2 56 GLN H 2 56 GLN HA 2.459 . 3.215 2.807 2.295 2.909 . 0 0 "[ . 1]" 4 33 1 4 PRO HA 1 4 PRO QD 3.156 . 4.401 3.334 3.303 3.366 . 0 0 "[ . 1]" 4 34 2 4 PRO HA 2 4 PRO QD 3.156 . 4.401 3.335 3.303 3.366 . 0 0 "[ . 1]" 4 35 1 43 PHE HA 1 43 PHE HB3 2.865 . 3.891 2.631 2.605 2.647 . 0 0 "[ . 1]" 4 36 2 43 PHE HA 2 43 PHE HB3 2.865 . 3.891 2.631 2.605 2.647 . 0 0 "[ . 1]" 4 37 1 14 ASP HA 1 14 ASP QB 2.514 . 3.159 2.403 2.381 2.418 . 0 0 "[ . 1]" 4 38 2 14 ASP HA 2 14 ASP QB 2.514 . 3.159 2.403 2.381 2.418 . 0 0 "[ . 1]" 4 39 1 43 PHE HA 1 43 PHE HB2 2.944 . 4.028 2.991 2.985 2.994 . 0 0 "[ . 1]" 4 40 2 43 PHE HA 2 43 PHE HB2 2.944 . 4.028 2.991 2.986 2.995 . 0 0 "[ . 1]" 4 41 1 8 VAL HA 1 8 VAL HB 2.485 . 3.257 2.977 2.888 3.011 . 0 0 "[ . 1]" 4 42 2 8 VAL HA 2 8 VAL HB 2.485 . 3.257 2.977 2.888 3.010 . 0 0 "[ . 1]" 4 43 1 43 PHE HA 1 44 GLU QG 3.302 . 4.665 3.526 3.080 4.047 . 0 0 "[ . 1]" 4 44 2 43 PHE HA 2 44 GLU QG 3.302 . 4.665 3.526 3.076 4.045 . 0 0 "[ . 1]" 4 45 1 4 PRO HA 1 4 PRO HB2 2.067 . 2.601 2.694 2.685 2.703 0.102 1 0 "[ . 1]" 4 46 2 4 PRO HA 2 4 PRO HB2 2.067 . 2.601 2.694 2.686 2.703 0.102 10 0 "[ . 1]" 4 47 1 94 SER QB 1 95 ALA H 2.576 . 3.405 2.990 2.216 3.406 0.001 8 0 "[ . 1]" 4 48 2 94 SER QB 2 95 ALA H 2.576 . 3.405 2.989 2.215 3.405 . 0 0 "[ . 1]" 4 49 1 5 LEU HA 1 5 LEU HB2 2.211 . 2.822 2.962 2.951 2.973 0.151 5 0 "[ . 1]" 4 50 2 5 LEU HA 2 5 LEU HB2 2.211 . 2.822 2.962 2.952 2.974 0.152 5 0 "[ . 1]" 4 51 1 59 LEU HA 1 60 ALA MB 3.396 . 4.838 4.025 3.838 4.214 . 0 0 "[ . 1]" 4 52 2 59 LEU HA 2 60 ALA MB 3.396 . 4.838 4.025 3.838 4.213 . 0 0 "[ . 1]" 4 53 1 95 ALA HA 1 95 ALA MB 2.034 . 2.551 2.072 2.065 2.084 . 0 0 "[ . 1]" 4 54 2 95 ALA HA 2 95 ALA MB 2.034 . 2.551 2.072 2.064 2.085 . 0 0 "[ . 1]" 4 55 1 60 ALA HA 1 60 ALA MB 2.021 . 2.531 2.119 2.109 2.127 . 0 0 "[ . 1]" 4 56 2 60 ALA HA 2 60 ALA MB 2.021 . 2.531 2.118 2.108 2.127 . 0 0 "[ . 1]" 4 57 1 58 PRO HA 1 59 LEU MD1 3.252 . 4.574 3.719 3.427 4.491 . 0 0 "[ . 1]" 4 58 2 58 PRO HA 2 59 LEU MD1 3.252 . 4.574 3.718 3.426 4.491 . 0 0 "[ . 1]" 4 59 1 4 PRO HA 1 5 LEU MD1 3.698 . 5.407 4.843 4.347 5.050 . 0 0 "[ . 1]" 4 60 2 4 PRO HA 2 5 LEU MD1 3.698 . 5.407 4.843 4.347 5.050 . 0 0 "[ . 1]" 4 61 1 4 PRO HA 1 5 LEU MD2 3.877 . 5.756 4.055 3.720 4.256 . 0 0 "[ . 1]" 4 62 2 4 PRO HA 2 5 LEU MD2 3.877 . 5.756 4.055 3.720 4.258 . 0 0 "[ . 1]" 4 63 1 8 VAL HA 1 8 VAL QG 2.134 . 2.703 2.102 2.018 2.125 . 0 0 "[ . 1]" 4 64 2 8 VAL HA 2 8 VAL QG 2.134 . 2.703 2.102 2.019 2.126 . 0 0 "[ . 1]" 4 65 1 5 LEU HA 1 5 LEU MD2 2.305 . 2.969 2.912 2.878 3.011 0.042 7 0 "[ . 1]" 4 66 2 5 LEU HA 2 5 LEU MD2 2.305 . 2.969 2.913 2.880 3.011 0.042 7 0 "[ . 1]" 4 67 1 22 LEU QD 1 95 ALA HA 2.341 . 3.026 1.807 1.699 1.979 . 0 0 "[ . 1]" 4 68 2 22 LEU QD 2 95 ALA HA 2.341 . 3.026 1.807 1.700 1.982 . 0 0 "[ . 1]" 4 69 1 7 ALA HA 1 8 VAL QG 2.829 . 3.829 3.905 3.594 4.482 0.653 10 3 "[* . - +]" 4 70 2 7 ALA HA 2 8 VAL QG 2.829 . 3.829 3.905 3.595 4.482 0.653 10 3 "[* . - +]" 4 71 1 42 THR H 1 42 THR HB 3.144 . 4.380 2.430 2.384 2.508 . 0 0 "[ . 1]" 4 72 2 42 THR H 2 42 THR HB 3.144 . 4.380 2.431 2.385 2.509 . 0 0 "[ . 1]" 4 73 1 6 GLU HA 1 8 VAL H 3.363 . 4.777 4.180 3.560 4.819 0.042 9 0 "[ . 1]" 4 74 2 6 GLU HA 2 8 VAL H 3.363 . 4.777 4.179 3.560 4.819 0.042 9 0 "[ . 1]" 4 75 1 42 THR HB 1 43 PHE HD2 3.396 . 4.838 4.813 4.783 4.861 0.023 7 0 "[ . 1]" 4 76 2 42 THR HB 2 43 PHE HD2 3.396 . 4.838 4.813 4.785 4.859 0.021 7 0 "[ . 1]" 4 77 1 84 SER HA 1 87 ARG HG3 3.097 . 4.296 4.437 4.389 4.485 0.189 7 0 "[ . 1]" 4 78 2 84 SER HA 2 87 ARG HG3 3.097 . 4.296 4.437 4.390 4.487 0.191 7 0 "[ . 1]" 4 79 1 24 SER HA 1 24 SER QB 3.135 . 4.017 2.292 2.183 2.471 . 0 0 "[ . 1]" 4 80 2 24 SER HA 2 24 SER QB 3.135 . 4.017 2.292 2.181 2.472 . 0 0 "[ . 1]" 4 81 1 94 SER HA 1 94 SER QB 2.443 . 3.189 2.307 2.189 2.543 . 0 0 "[ . 1]" 4 82 2 94 SER HA 2 94 SER QB 2.443 . 3.189 2.307 2.189 2.542 . 0 0 "[ . 1]" 4 83 1 28 THR HA 1 28 THR HB 2.925 . 3.994 2.441 2.351 2.571 . 0 0 "[ . 1]" 4 84 2 28 THR HA 2 28 THR HB 2.925 . 3.994 2.441 2.351 2.570 . 0 0 "[ . 1]" 4 85 1 84 SER HA 1 84 SER QB 2.989 . 3.462 2.446 2.397 2.478 . 0 0 "[ . 1]" 4 86 2 84 SER HA 2 84 SER QB 2.989 . 3.462 2.446 2.395 2.479 . 0 0 "[ . 1]" 4 87 1 39 VAL HA 1 42 THR HB 3.354 . 4.761 3.233 2.914 3.615 . 0 0 "[ . 1]" 4 88 2 39 VAL HA 2 42 THR HB 3.354 . 4.761 3.233 2.915 3.615 . 0 0 "[ . 1]" 4 89 1 56 GLN HA 1 58 PRO HD2 4.225 . 6.456 3.815 3.176 4.586 . 0 0 "[ . 1]" 4 90 2 56 GLN HA 2 58 PRO HD2 4.225 . 6.456 3.815 3.175 4.586 . 0 0 "[ . 1]" 4 91 1 84 SER HA 1 87 ARG QD 3.574 . 5.170 3.234 2.901 3.598 . 0 0 "[ . 1]" 4 92 2 84 SER HA 2 87 ARG QD 3.574 . 5.170 3.233 2.901 3.598 . 0 0 "[ . 1]" 4 93 1 6 GLU HA 1 6 GLU QG 2.285 . 2.937 2.646 2.318 2.941 0.004 3 0 "[ . 1]" 4 94 2 6 GLU HA 2 6 GLU QG 2.285 . 2.937 2.645 2.319 2.942 0.005 3 0 "[ . 1]" 4 95 1 55 ALA HA 1 56 GLN HG2 3.688 . 5.388 3.450 2.919 4.582 . 0 0 "[ . 1]" 4 96 2 55 ALA HA 2 56 GLN HG2 3.688 . 5.388 3.450 2.918 4.584 . 0 0 "[ . 1]" 4 97 1 6 GLU HA 1 6 GLU HB3 2.088 . 2.633 2.961 2.840 3.007 0.374 1 0 "[ . 1]" 4 98 2 6 GLU HA 2 6 GLU HB3 2.088 . 2.633 2.961 2.840 3.007 0.374 1 0 "[ . 1]" 4 99 1 56 GLN HA 1 56 GLN HB2 2.160 . 2.743 2.708 2.457 3.004 0.261 1 0 "[ . 1]" 4 100 2 56 GLN HA 2 56 GLN HB2 2.160 . 2.743 2.709 2.456 3.004 0.261 1 0 "[ . 1]" 4 101 1 38 LYS HA 1 38 LYS HB2 2.621 . 3.480 3.018 3.000 3.025 . 0 0 "[ . 1]" 4 102 2 38 LYS HA 2 38 LYS HB2 2.621 . 3.480 3.018 3.000 3.026 . 0 0 "[ . 1]" 4 103 1 54 PRO HB2 1 55 ALA HA 3.233 . 4.539 4.560 4.029 4.828 0.289 4 0 "[ . 1]" 4 104 2 54 PRO HB2 2 55 ALA HA 3.233 . 4.539 4.559 4.028 4.828 0.289 4 0 "[ . 1]" 4 105 1 56 GLN HA 1 57 ARG HG2 3.439 . 4.917 4.236 3.494 4.950 0.033 1 0 "[ . 1]" 4 106 2 56 GLN HA 2 57 ARG HG2 3.439 . 4.917 4.235 3.494 4.949 0.032 1 0 "[ . 1]" 4 107 1 5 LEU MD1 1 6 GLU HA 4.028 . 6.056 5.673 5.464 5.989 . 0 0 "[ . 1]" 4 108 2 5 LEU MD1 2 6 GLU HA 4.028 . 6.056 5.673 5.464 5.987 . 0 0 "[ . 1]" 4 109 1 55 ALA MB 1 56 GLN HA 3.701 . 5.413 3.613 3.351 3.930 . 0 0 "[ . 1]" 4 110 2 55 ALA MB 2 56 GLN HA 3.701 . 5.413 3.613 3.350 3.930 . 0 0 "[ . 1]" 4 111 1 55 ALA HA 1 55 ALA MB 2.205 . 2.813 2.086 2.071 2.110 . 0 0 "[ . 1]" 4 112 2 55 ALA HA 2 55 ALA MB 2.205 . 2.813 2.086 2.072 2.110 . 0 0 "[ . 1]" 4 113 1 39 VAL MG1 1 84 SER HA 4.134 . 6.270 5.232 5.151 5.272 . 0 0 "[ . 1]" 4 114 2 39 VAL MG1 2 84 SER HA 4.134 . 6.270 5.233 5.150 5.273 . 0 0 "[ . 1]" 4 115 1 83 SER HA 1 86 ARG H 3.113 . 4.324 3.313 3.212 3.482 . 0 0 "[ . 1]" 4 116 2 83 SER HA 2 86 ARG H 3.113 . 4.324 3.312 3.212 3.482 . 0 0 "[ . 1]" 4 117 1 84 SER H 1 84 SER QB 3.233 . 4.540 2.223 2.180 2.362 . 0 0 "[ . 1]" 4 118 2 84 SER H 2 84 SER QB 3.233 . 4.540 2.223 2.179 2.364 . 0 0 "[ . 1]" 4 119 1 84 SER QB 1 87 ARG H 4.435 . 5.008 4.477 4.309 4.645 . 0 0 "[ . 1]" 4 120 2 84 SER QB 2 87 ARG H 4.435 . 5.008 4.477 4.310 4.646 . 0 0 "[ . 1]" 4 121 1 3 ASN QB 1 5 LEU H 3.509 . 5.048 3.805 3.375 4.532 . 0 0 "[ . 1]" 4 122 2 3 ASN QB 2 5 LEU H 3.509 . 5.048 3.805 3.374 4.533 . 0 0 "[ . 1]" 4 123 1 83 SER HB3 1 84 SER HA 3.477 . 4.988 4.060 4.035 4.100 . 0 0 "[ . 1]" 4 124 2 83 SER HB3 2 84 SER HA 3.477 . 4.988 4.060 4.037 4.102 . 0 0 "[ . 1]" 4 125 1 83 SER HA 1 83 SER HB3 2.703 . 3.616 3.007 2.999 3.012 . 0 0 "[ . 1]" 4 126 2 83 SER HA 2 83 SER HB3 2.703 . 3.616 3.007 2.999 3.012 . 0 0 "[ . 1]" 4 127 1 83 SER HA 1 86 ARG HB3 3.782 . 5.570 4.075 3.768 4.225 . 0 0 "[ . 1]" 4 128 2 83 SER HA 2 86 ARG HB3 3.782 . 5.570 4.075 3.768 4.224 . 0 0 "[ . 1]" 4 129 1 82 LEU HB3 1 83 SER HA 3.526 . 5.080 4.015 3.969 4.066 . 0 0 "[ . 1]" 4 130 2 82 LEU HB3 2 83 SER HA 3.526 . 5.080 4.015 3.969 4.065 . 0 0 "[ . 1]" 4 131 1 33 LEU HA 1 36 ALA MB 2.751 . 3.697 2.698 2.433 3.038 . 0 0 "[ . 1]" 4 132 2 33 LEU HA 2 36 ALA MB 2.751 . 3.697 2.696 2.430 3.034 . 0 0 "[ . 1]" 4 133 1 73 VAL MG1 1 74 PRO HD3 3.218 . 4.512 3.008 2.992 3.020 . 0 0 "[ . 1]" 4 134 2 73 VAL MG1 2 74 PRO HD3 3.218 . 4.512 3.008 2.998 3.020 . 0 0 "[ . 1]" 4 135 1 50 LEU MD1 1 52 THR HB 2.965 . 4.064 3.928 3.849 4.008 . 0 0 "[ . 1]" 4 136 2 50 LEU MD1 2 52 THR HB 2.965 . 4.064 3.929 3.850 4.009 . 0 0 "[ . 1]" 4 137 1 39 VAL MG1 1 84 SER QB 3.028 . 3.293 2.645 2.584 2.679 . 0 0 "[ . 1]" 4 138 2 39 VAL MG1 2 84 SER QB 3.028 . 3.293 2.646 2.584 2.679 . 0 0 "[ . 1]" 4 139 1 83 SER HB2 1 84 SER H 2.668 . 3.558 3.641 3.628 3.656 0.098 9 0 "[ . 1]" 4 140 2 83 SER HB2 2 84 SER H 2.668 . 3.558 3.640 3.629 3.656 0.098 9 0 "[ . 1]" 4 141 1 42 THR HA 1 43 PHE H 4.396 . 6.812 3.559 3.550 3.572 . 0 0 "[ . 1]" 4 142 2 42 THR HA 2 43 PHE H 4.396 . 6.812 3.559 3.550 3.571 . 0 0 "[ . 1]" 4 143 1 42 THR HA 1 42 THR HB 2.901 . 3.953 2.542 2.457 2.594 . 0 0 "[ . 1]" 4 144 2 42 THR HA 2 42 THR HB 2.901 . 3.953 2.542 2.457 2.594 . 0 0 "[ . 1]" 4 145 1 35 ARG HA 1 35 ARG QD 3.189 . 4.460 3.967 3.435 4.363 . 0 0 "[ . 1]" 4 146 2 35 ARG HA 2 35 ARG QD 3.189 . 4.460 3.968 3.435 4.363 . 0 0 "[ . 1]" 4 147 1 4 PRO HB3 1 4 PRO QD 2.767 . 2.842 2.754 2.735 2.773 . 0 0 "[ . 1]" 4 148 2 4 PRO HB3 2 4 PRO QD 2.767 . 2.842 2.754 2.734 2.774 . 0 0 "[ . 1]" 4 149 1 62 SER QB 1 63 PRO HG2 3.256 . 4.581 4.058 3.782 4.469 . 0 0 "[ . 1]" 4 150 2 62 SER QB 2 63 PRO HG2 3.256 . 4.581 4.059 3.783 4.470 . 0 0 "[ . 1]" 4 151 1 44 GLU HA 1 44 GLU QG 2.101 . 2.653 2.446 2.364 2.545 . 0 0 "[ . 1]" 4 152 2 44 GLU HA 2 44 GLU QG 2.101 . 2.653 2.446 2.362 2.546 . 0 0 "[ . 1]" 4 153 1 4 PRO QD 1 4 PRO HG2 2.227 . 2.847 2.235 2.224 2.245 . 0 0 "[ . 1]" 4 154 2 4 PRO QD 2 4 PRO HG2 2.227 . 2.847 2.235 2.225 2.244 . 0 0 "[ . 1]" 4 155 1 84 SER QB 1 85 VAL HB 2.893 . 3.939 3.961 3.936 4.018 0.079 4 0 "[ . 1]" 4 156 2 84 SER QB 2 85 VAL HB 2.893 . 3.939 3.960 3.935 4.018 0.079 4 0 "[ . 1]" 4 157 1 35 ARG HA 1 35 ARG QB 2.295 . 2.953 2.300 2.166 2.345 . 0 0 "[ . 1]" 4 158 2 35 ARG HA 2 35 ARG QB 2.295 . 2.953 2.300 2.166 2.346 . 0 0 "[ . 1]" 4 159 1 35 ARG HA 1 38 LYS HD2 2.779 . 3.745 3.408 2.028 3.796 0.051 4 0 "[ . 1]" 4 160 2 35 ARG HA 2 38 LYS HD2 2.779 . 3.745 3.407 2.027 3.797 0.052 4 0 "[ . 1]" 4 161 1 35 ARG HA 1 35 ARG QG 2.881 . 3.919 2.605 2.414 3.335 . 0 0 "[ . 1]" 4 162 2 35 ARG HA 2 35 ARG QG 2.881 . 3.919 2.606 2.414 3.336 . 0 0 "[ . 1]" 4 163 1 73 VAL MG1 1 74 PRO HD2 3.296 . 4.654 1.523 1.508 1.541 0.430 1 0 "[ . 1]" 4 164 2 73 VAL MG1 2 74 PRO HD2 3.296 . 4.654 1.522 1.508 1.540 0.430 5 0 "[ . 1]" 4 165 1 89 SER QB 1 92 VAL MG2 3.203 . 4.146 2.149 1.732 3.284 0.188 8 0 "[ . 1]" 4 166 2 89 SER QB 2 92 VAL MG2 3.203 . 4.146 2.149 1.731 3.285 0.189 8 0 "[ . 1]" 4 167 1 36 ALA HA 1 88 VAL MG2 2.489 . 3.263 3.011 2.678 3.206 . 0 0 "[ . 1]" 4 168 2 36 ALA HA 2 88 VAL MG2 2.489 . 3.263 3.011 2.679 3.207 . 0 0 "[ . 1]" 4 169 1 4 PRO QD 1 5 LEU MD1 4.733 . 7.533 5.287 5.222 5.427 . 0 0 "[ . 1]" 4 170 2 4 PRO QD 2 5 LEU MD1 4.733 . 7.533 5.286 5.222 5.426 . 0 0 "[ . 1]" 4 171 1 75 SER H 1 75 SER HB2 3.290 . 4.643 3.197 2.486 3.603 . 0 0 "[ . 1]" 4 172 2 75 SER H 2 75 SER HB2 3.290 . 4.643 3.197 2.485 3.603 . 0 0 "[ . 1]" 4 173 1 35 ARG HA 1 88 VAL MG1 4.301 . 6.613 4.608 4.006 5.332 . 0 0 "[ . 1]" 4 174 2 35 ARG HA 2 88 VAL MG1 4.301 . 6.613 4.608 4.006 5.331 . 0 0 "[ . 1]" 4 175 1 37 VAL HA 1 40 PHE HD2 3.066 . 4.241 2.529 2.375 2.740 . 0 0 "[ . 1]" 4 176 2 37 VAL HA 2 40 PHE HD2 3.066 . 4.241 2.529 2.377 2.738 . 0 0 "[ . 1]" 4 177 1 62 SER HA 1 63 PRO HD3 2.645 . 3.520 2.447 2.076 3.648 0.128 1 0 "[ . 1]" 4 178 2 62 SER HA 2 63 PRO HD3 2.645 . 3.520 2.448 2.076 3.648 0.128 1 0 "[ . 1]" 4 179 1 63 PRO HA 1 63 PRO HD3 2.742 . 3.682 3.584 3.350 3.962 0.280 1 0 "[ . 1]" 4 180 2 63 PRO HA 2 63 PRO HD3 2.742 . 3.682 3.584 3.349 3.962 0.280 1 0 "[ . 1]" 4 181 1 63 PRO HB3 1 63 PRO HD3 3.807 . 5.618 4.009 3.881 4.050 . 0 0 "[ . 1]" 4 182 2 63 PRO HB3 2 63 PRO HD3 3.807 . 5.618 4.009 3.879 4.051 . 0 0 "[ . 1]" 4 183 1 63 PRO HD3 1 63 PRO HG2 2.106 . 2.660 2.724 2.687 2.778 0.118 6 0 "[ . 1]" 4 184 2 63 PRO HD3 2 63 PRO HG2 2.106 . 2.660 2.724 2.687 2.778 0.118 6 0 "[ . 1]" 4 185 1 82 LEU HA 1 85 VAL HB 2.741 . 3.680 1.984 1.856 2.125 . 0 0 "[ . 1]" 4 186 2 82 LEU HA 2 85 VAL HB 2.741 . 3.680 1.984 1.857 2.123 . 0 0 "[ . 1]" 4 187 1 79 ALA HA 1 82 LEU HB3 3.134 . 4.362 3.504 3.433 3.608 . 0 0 "[ . 1]" 4 188 2 79 ALA HA 2 82 LEU HB3 3.134 . 4.362 3.504 3.431 3.609 . 0 0 "[ . 1]" 4 189 1 40 PHE HA 1 81 LEU HB2 3.066 . 4.241 3.763 3.687 3.827 . 0 0 "[ . 1]" 4 190 2 40 PHE HA 2 81 LEU HB2 3.066 . 4.241 3.763 3.687 3.828 . 0 0 "[ . 1]" 4 191 1 17 ALA MB 1 75 SER HB2 2.926 . 3.996 3.844 3.432 4.776 0.780 2 1 "[ + . 1]" 4 192 2 17 ALA MB 2 75 SER HB2 2.926 . 3.996 3.843 3.432 4.774 0.778 2 1 "[ + . 1]" 4 193 1 34 SER HB3 1 37 VAL QG 3.394 . 4.834 3.963 3.633 4.147 . 0 0 "[ . 1]" 4 194 2 34 SER HB3 2 37 VAL QG 3.394 . 4.834 3.965 3.633 4.148 . 0 0 "[ . 1]" 4 195 1 73 VAL MG2 1 78 LEU HA 2.857 . 3.878 2.987 2.927 3.055 . 0 0 "[ . 1]" 4 196 2 73 VAL MG2 2 78 LEU HA 2.857 . 3.878 2.987 2.927 3.054 . 0 0 "[ . 1]" 4 197 1 79 ALA HA 1 82 LEU MD2 2.454 . 3.207 2.680 2.585 2.820 . 0 0 "[ . 1]" 4 198 2 79 ALA HA 2 82 LEU MD2 2.454 . 3.207 2.680 2.584 2.820 . 0 0 "[ . 1]" 4 199 1 82 LEU HA 1 85 VAL MG1 3.584 . 5.190 3.166 2.950 3.305 . 0 0 "[ . 1]" 4 200 2 82 LEU HA 2 85 VAL MG1 3.584 . 5.190 3.165 2.950 3.302 . 0 0 "[ . 1]" 4 201 1 78 LEU HA 1 81 LEU MD2 4.081 . 6.163 3.695 3.658 3.733 . 0 0 "[ . 1]" 4 202 2 78 LEU HA 2 81 LEU MD2 4.081 . 6.163 3.695 3.658 3.733 . 0 0 "[ . 1]" 4 203 1 82 LEU HA 1 85 VAL MG2 2.894 . 3.941 3.174 3.109 3.280 . 0 0 "[ . 1]" 4 204 2 82 LEU HA 2 85 VAL MG2 2.894 . 3.941 3.174 3.109 3.278 . 0 0 "[ . 1]" 4 205 1 34 SER HA 1 34 SER HB3 2.678 . 3.574 2.508 2.262 2.594 . 0 0 "[ . 1]" 4 206 2 34 SER HA 2 34 SER HB3 2.678 . 3.574 2.509 2.262 2.594 . 0 0 "[ . 1]" 4 207 1 38 LYS HB2 1 39 VAL HA 3.213 . 4.503 4.186 3.948 4.482 . 0 0 "[ . 1]" 4 208 2 38 LYS HB2 2 39 VAL HA 3.213 . 4.503 4.185 3.949 4.483 . 0 0 "[ . 1]" 4 209 1 57 ARG HB2 1 58 PRO HD2 2.294 . 2.952 2.600 2.182 2.824 . 0 0 "[ . 1]" 4 210 2 57 ARG HB2 2 58 PRO HD2 2.294 . 2.952 2.599 2.181 2.822 . 0 0 "[ . 1]" 4 211 1 39 VAL HA 1 42 THR MG 3.135 . 4.364 2.530 2.047 2.737 . 0 0 "[ . 1]" 4 212 2 39 VAL HA 2 42 THR MG 3.135 . 4.364 2.530 2.047 2.739 . 0 0 "[ . 1]" 4 213 1 55 ALA MB 1 58 PRO HD2 3.464 . 4.964 3.857 2.892 4.795 . 0 0 "[ . 1]" 4 214 2 55 ALA MB 2 58 PRO HD2 3.464 . 4.964 3.857 2.891 4.796 . 0 0 "[ . 1]" 4 215 1 39 VAL HA 1 39 VAL MG1 2.627 . 3.348 2.664 2.649 2.675 . 0 0 "[ . 1]" 4 216 2 39 VAL HA 2 39 VAL MG1 2.627 . 3.348 2.663 2.649 2.675 . 0 0 "[ . 1]" 4 217 1 85 VAL HA 1 88 VAL MG2 2.522 . 3.317 2.130 2.028 2.280 . 0 0 "[ . 1]" 4 218 2 85 VAL HA 2 88 VAL MG2 2.522 . 3.317 2.130 2.027 2.282 . 0 0 "[ . 1]" 4 219 1 39 VAL MG1 1 85 VAL HA 3.379 . 4.009 3.956 3.734 4.040 0.031 3 0 "[ . 1]" 4 220 2 39 VAL MG1 2 85 VAL HA 3.379 . 4.009 3.956 3.735 4.042 0.033 1 0 "[ . 1]" 4 221 1 85 VAL HA 1 85 VAL MG1 2.777 . 3.741 2.831 2.795 2.908 . 0 0 "[ . 1]" 4 222 2 85 VAL HA 2 85 VAL MG1 2.777 . 3.741 2.831 2.796 2.907 . 0 0 "[ . 1]" 4 223 1 87 ARG H 1 87 ARG QD 2.654 . 3.534 2.699 2.604 2.775 . 0 0 "[ . 1]" 4 224 2 87 ARG H 2 87 ARG QD 2.654 . 3.534 2.698 2.605 2.776 . 0 0 "[ . 1]" 4 225 1 93 ARG HA 1 93 ARG HD2 3.760 . 5.527 5.009 4.613 5.519 . 0 0 "[ . 1]" 4 226 2 93 ARG HA 2 93 ARG HD2 3.760 . 5.527 5.008 4.610 5.518 . 0 0 "[ . 1]" 4 227 1 93 ARG HB3 1 93 ARG HD2 2.824 . 3.821 3.372 3.088 3.836 0.015 2 0 "[ . 1]" 4 228 2 93 ARG HB3 2 93 ARG HD2 2.824 . 3.821 3.371 3.088 3.836 0.015 2 0 "[ . 1]" 4 229 1 93 ARG HD2 1 93 ARG HG3 2.847 . 3.860 2.484 2.377 2.949 . 0 0 "[ . 1]" 4 230 2 93 ARG HD2 2 93 ARG HG3 2.847 . 3.860 2.484 2.378 2.949 . 0 0 "[ . 1]" 4 231 1 87 ARG HB2 1 87 ARG QD 1.869 . 2.306 2.398 2.359 2.436 0.130 2 0 "[ . 1]" 4 232 2 87 ARG HB2 2 87 ARG QD 1.869 . 2.306 2.398 2.360 2.436 0.130 2 0 "[ . 1]" 4 233 1 86 ARG HD3 1 86 ARG QG 2.058 . 2.587 2.329 2.174 2.372 . 0 0 "[ . 1]" 4 234 2 86 ARG HD3 2 86 ARG QG 2.058 . 2.587 2.329 2.175 2.371 . 0 0 "[ . 1]" 4 235 1 93 ARG HD2 1 93 ARG HG2 2.871 . 3.901 2.749 2.247 3.005 . 0 0 "[ . 1]" 4 236 2 93 ARG HD2 2 93 ARG HG2 2.871 . 3.901 2.749 2.247 3.005 . 0 0 "[ . 1]" 4 237 1 26 ARG HD3 1 26 ARG HG3 1.844 . 2.269 2.651 2.362 3.006 0.737 6 4 "[*- .+ *1]" 4 238 2 26 ARG HD3 2 26 ARG HG3 1.844 . 2.269 2.650 2.361 3.005 0.736 9 4 "[*- .* +1]" 4 239 1 22 LEU QD 1 93 ARG HD2 4.388 . 6.795 3.906 3.417 4.449 . 0 0 "[ . 1]" 4 240 2 22 LEU QD 2 93 ARG HD2 4.388 . 6.795 3.906 3.418 4.447 . 0 0 "[ . 1]" 4 241 1 13 ARG HD3 1 18 VAL MG2 2.560 . 3.379 2.690 2.488 2.763 . 0 0 "[ . 1]" 4 242 2 13 ARG HD3 2 18 VAL MG2 2.560 . 3.379 2.689 2.486 2.762 . 0 0 "[ . 1]" 4 243 1 13 ARG H 1 13 ARG HD3 4.031 . 6.062 4.595 4.418 5.138 . 0 0 "[ . 1]" 4 244 2 13 ARG H 2 13 ARG HD3 4.031 . 6.062 4.594 4.418 5.139 . 0 0 "[ . 1]" 4 245 1 13 ARG HD3 1 16 ASN H 3.623 . 5.264 5.322 5.284 5.415 0.151 8 0 "[ . 1]" 4 246 2 13 ARG HD3 2 16 ASN H 3.623 . 5.264 5.322 5.284 5.415 0.151 8 0 "[ . 1]" 4 247 1 93 ARG HB2 1 93 ARG HD3 2.385 . 3.096 2.795 2.393 3.338 0.242 9 0 "[ . 1]" 4 248 2 93 ARG HB2 2 93 ARG HD3 2.385 . 3.096 2.794 2.390 3.338 0.242 9 0 "[ . 1]" 4 249 1 43 PHE HE2 1 81 LEU HA 4.012 . 6.024 2.998 2.769 3.093 . 0 0 "[ . 1]" 4 250 2 43 PHE HE2 2 81 LEU HA 4.012 . 6.024 2.998 2.770 3.092 . 0 0 "[ . 1]" 4 251 1 10 PHE QB 1 10 PHE QD 3.870 . 5.742 2.080 2.063 2.120 . 0 0 "[ . 1]" 4 252 2 10 PHE QB 2 10 PHE QD 3.870 . 5.742 2.080 2.063 2.120 . 0 0 "[ . 1]" 4 253 1 3 ASN HA 1 3 ASN QB 2.602 . 3.234 2.318 2.171 2.402 . 0 0 "[ . 1]" 4 254 2 3 ASN HA 2 3 ASN QB 2.602 . 3.234 2.317 2.171 2.401 . 0 0 "[ . 1]" 4 255 1 38 LYS HA 1 38 LYS QE 3.322 . 4.702 2.430 1.691 3.981 0.251 4 0 "[ . 1]" 4 256 2 38 LYS HA 2 38 LYS QE 3.322 . 4.702 2.430 1.691 3.983 0.251 4 0 "[ . 1]" 4 257 1 35 ARG HA 1 38 LYS QE 3.120 . 4.337 4.075 2.692 4.295 . 0 0 "[ . 1]" 4 258 2 35 ARG HA 2 38 LYS QE 3.120 . 4.337 4.076 2.689 4.293 . 0 0 "[ . 1]" 4 259 1 3 ASN QB 1 4 PRO QD 3.178 . 4.331 3.216 2.821 3.675 . 0 0 "[ . 1]" 4 260 2 3 ASN QB 2 4 PRO QD 3.178 . 4.331 3.215 2.817 3.676 . 0 0 "[ . 1]" 4 261 1 3 ASN QB 1 6 GLU HB3 2.650 . 3.528 2.802 1.706 3.899 0.371 7 0 "[ . 1]" 4 262 2 3 ASN QB 2 6 GLU HB3 2.650 . 3.528 2.802 1.704 3.898 0.370 7 0 "[ . 1]" 4 263 1 37 VAL HB 1 38 LYS QE 2.721 . 3.647 3.630 3.512 3.801 0.154 8 0 "[ . 1]" 4 264 2 37 VAL HB 2 38 LYS QE 2.721 . 3.647 3.632 3.518 3.801 0.154 8 0 "[ . 1]" 4 265 1 38 LYS HD2 1 38 LYS QE 2.259 . 2.897 2.184 2.114 2.424 . 0 0 "[ . 1]" 4 266 2 38 LYS HD2 2 38 LYS QE 2.259 . 2.897 2.184 2.114 2.424 . 0 0 "[ . 1]" 4 267 1 38 LYS QE 1 38 LYS QG 2.117 . 2.677 2.094 1.984 2.213 . 0 0 "[ . 1]" 4 268 2 38 LYS QE 2 38 LYS QG 2.117 . 2.677 2.094 1.984 2.214 . 0 0 "[ . 1]" 4 269 1 39 VAL MG2 1 81 LEU HA 2.995 . 4.116 3.901 3.891 3.917 . 0 0 "[ . 1]" 4 270 2 39 VAL MG2 2 81 LEU HA 2.995 . 4.116 3.900 3.891 3.918 . 0 0 "[ . 1]" 4 271 1 39 VAL MG1 1 81 LEU HA 3.121 . 4.245 3.189 3.132 3.227 . 0 0 "[ . 1]" 4 272 2 39 VAL MG1 2 81 LEU HA 3.121 . 4.245 3.189 3.132 3.228 . 0 0 "[ . 1]" 4 273 1 81 LEU HA 1 81 LEU MD1 2.906 . 3.961 3.570 3.553 3.590 . 0 0 "[ . 1]" 4 274 2 81 LEU HA 2 81 LEU MD1 2.906 . 3.961 3.570 3.552 3.589 . 0 0 "[ . 1]" 4 275 1 91 ASP HA 1 91 ASP HB2 2.905 . 3.960 2.708 2.461 3.023 . 0 0 "[ . 1]" 4 276 2 91 ASP HA 2 91 ASP HB2 2.905 . 3.960 2.708 2.462 3.022 . 0 0 "[ . 1]" 4 277 1 90 ASP HA 1 90 ASP HB3 2.778 . 3.743 2.897 2.477 3.026 . 0 0 "[ . 1]" 4 278 2 90 ASP HA 2 90 ASP HB3 2.778 . 3.743 2.897 2.477 3.025 . 0 0 "[ . 1]" 4 279 1 56 GLN H 1 56 GLN HG3 2.984 . 4.097 2.823 2.038 4.122 0.025 1 0 "[ . 1]" 4 280 2 56 GLN H 2 56 GLN HG3 2.984 . 4.097 2.823 2.039 4.122 0.025 1 0 "[ . 1]" 4 281 1 53 ARG HA 1 53 ARG HG3 4.420 . 6.862 3.390 2.349 3.781 . 0 0 "[ . 1]" 4 282 2 53 ARG HA 2 53 ARG HG3 4.420 . 6.862 3.390 2.348 3.782 . 0 0 "[ . 1]" 4 283 1 18 VAL MG2 1 72 GLU QG 3.520 . 5.069 3.396 3.275 3.461 . 0 0 "[ . 1]" 4 284 2 18 VAL MG2 2 72 GLU QG 3.520 . 5.069 3.397 3.274 3.461 . 0 0 "[ . 1]" 4 285 1 11 GLU HG3 1 12 GLU H 2.516 . 3.307 3.130 1.411 3.676 0.369 3 0 "[ . 1]" 4 286 2 11 GLU HG3 2 12 GLU H 2.516 . 3.307 3.129 1.411 3.674 0.367 3 0 "[ . 1]" 4 287 1 11 GLU H 1 11 GLU HG3 2.742 . 3.682 3.553 3.254 4.186 0.504 8 1 "[ . + 1]" 4 288 2 11 GLU H 2 11 GLU HG3 2.742 . 3.682 3.553 3.256 4.185 0.503 8 1 "[ . + 1]" 4 289 1 10 PHE QD 1 12 GLU QG 3.109 . 4.317 3.345 2.979 3.705 . 0 0 "[ . 1]" 4 290 2 10 PHE QD 2 12 GLU QG 3.109 . 4.317 3.345 2.978 3.705 . 0 0 "[ . 1]" 4 291 1 51 GLU H 1 51 GLU HB3 3.846 . 5.695 3.381 3.164 3.823 . 0 0 "[ . 1]" 4 292 2 51 GLU H 2 51 GLU HB3 3.846 . 5.695 3.382 3.167 3.824 . 0 0 "[ . 1]" 4 293 1 12 GLU QG 1 17 ALA HA 3.346 . 4.620 2.950 2.610 3.631 . 0 0 "[ . 1]" 4 294 2 12 GLU QG 2 17 ALA HA 3.346 . 4.620 2.950 2.611 3.630 . 0 0 "[ . 1]" 4 295 1 11 GLU HA 1 11 GLU HG3 2.601 . 3.447 3.579 3.221 4.166 0.719 3 1 "[ + . 1]" 4 296 2 11 GLU HA 2 11 GLU HG3 2.601 . 3.447 3.578 3.219 4.165 0.718 3 1 "[ + . 1]" 4 297 1 6 GLU QG 1 7 ALA HA 2.617 . 3.473 3.479 3.167 3.713 0.240 10 0 "[ . 1]" 4 298 2 6 GLU QG 2 7 ALA HA 2.617 . 3.473 3.479 3.167 3.714 0.241 10 0 "[ . 1]" 4 299 1 56 GLN HA 1 56 GLN HG2 2.625 . 3.486 3.348 2.702 3.781 0.295 9 0 "[ . 1]" 4 300 2 56 GLN HA 2 56 GLN HG2 2.625 . 3.486 3.348 2.702 3.780 0.294 9 0 "[ . 1]" 4 301 1 44 GLU HA 1 44 GLU HB2 2.935 . 4.012 3.007 3.000 3.013 . 0 0 "[ . 1]" 4 302 2 44 GLU HA 2 44 GLU HB2 2.935 . 4.012 3.007 2.998 3.012 . 0 0 "[ . 1]" 4 303 1 12 GLU QG 1 75 SER HA 3.542 . 4.600 3.195 2.406 4.072 . 0 0 "[ . 1]" 4 304 2 12 GLU QG 2 75 SER HA 3.542 . 4.600 3.195 2.408 4.071 . 0 0 "[ . 1]" 4 305 1 74 PRO HD3 1 74 PRO HG2 2.394 . 3.110 2.789 2.782 2.796 . 0 0 "[ . 1]" 4 306 2 74 PRO HD3 2 74 PRO HG2 2.394 . 3.110 2.790 2.781 2.795 . 0 0 "[ . 1]" 4 307 1 66 GLU H 1 66 GLU QG 2.961 . 4.057 2.902 2.345 3.861 . 0 0 "[ . 1]" 4 308 2 66 GLU H 2 66 GLU QG 2.961 . 4.057 2.902 2.345 3.861 . 0 0 "[ . 1]" 4 309 1 12 GLU H 1 12 GLU QG 2.561 . 3.381 2.651 1.444 3.524 0.297 7 0 "[ . 1]" 4 310 2 12 GLU H 2 12 GLU QG 2.561 . 3.381 2.651 1.443 3.524 0.298 7 0 "[ . 1]" 4 311 1 11 GLU H 1 11 GLU HG2 2.842 . 3.851 2.850 2.572 3.635 . 0 0 "[ . 1]" 4 312 2 11 GLU H 2 11 GLU HG2 2.842 . 3.851 2.850 2.572 3.634 . 0 0 "[ . 1]" 4 313 1 66 GLU HA 1 66 GLU QG 2.939 . 4.018 2.958 2.214 3.456 . 0 0 "[ . 1]" 4 314 2 66 GLU HA 2 66 GLU QG 2.939 . 4.018 2.958 2.213 3.459 . 0 0 "[ . 1]" 4 315 1 54 PRO HA 1 54 PRO HB3 2.256 . 2.892 2.281 2.225 2.303 . 0 0 "[ . 1]" 4 316 2 54 PRO HA 2 54 PRO HB3 2.256 . 2.892 2.281 2.226 2.302 . 0 0 "[ . 1]" 4 317 1 55 ALA HA 1 66 GLU QG 3.384 . 4.815 3.326 1.870 4.879 0.083 8 0 "[ . 1]" 4 318 2 55 ALA HA 2 66 GLU QG 3.384 . 4.815 3.326 1.867 4.881 0.086 8 0 "[ . 1]" 4 319 1 55 ALA MB 1 66 GLU QG 2.814 . 3.804 2.306 1.765 3.920 0.116 10 0 "[ . 1]" 4 320 2 55 ALA MB 2 66 GLU QG 2.814 . 3.804 2.306 1.764 3.920 0.116 10 0 "[ . 1]" 4 321 1 56 GLN HB2 1 57 ARG H 2.357 . 3.052 2.089 1.512 3.234 0.182 5 0 "[ . 1]" 4 322 2 56 GLN HB2 2 57 ARG H 2.357 . 3.052 2.089 1.510 3.235 0.183 5 0 "[ . 1]" 4 323 1 86 ARG H 1 86 ARG HB3 3.412 . 4.867 3.384 2.666 3.667 . 0 0 "[ . 1]" 4 324 2 86 ARG H 2 86 ARG HB3 3.412 . 4.867 3.384 2.668 3.666 . 0 0 "[ . 1]" 4 325 1 8 VAL H 1 8 VAL HB 2.431 . 3.170 2.977 2.612 3.533 0.363 9 0 "[ . 1]" 4 326 2 8 VAL H 2 8 VAL HB 2.431 . 3.170 2.978 2.612 3.533 0.363 9 0 "[ . 1]" 4 327 1 87 ARG H 1 87 ARG HB2 2.277 . 2.925 2.073 2.054 2.105 . 0 0 "[ . 1]" 4 328 2 87 ARG H 2 87 ARG HB2 2.277 . 2.925 2.074 2.055 2.105 . 0 0 "[ . 1]" 4 329 1 12 GLU HA 1 12 GLU HB2 2.605 . 3.453 2.932 2.652 3.001 . 0 0 "[ . 1]" 4 330 2 12 GLU HA 2 12 GLU HB2 2.605 . 3.453 2.931 2.651 3.000 . 0 0 "[ . 1]" 4 331 1 9 VAL HA 1 9 VAL HB 2.324 . 2.999 2.423 2.305 2.474 . 0 0 "[ . 1]" 4 332 2 9 VAL HA 2 9 VAL HB 2.324 . 2.999 2.424 2.305 2.476 . 0 0 "[ . 1]" 4 333 1 87 ARG QD 1 87 ARG HG3 2.282 . 2.933 2.424 2.255 2.497 . 0 0 "[ . 1]" 4 334 2 87 ARG QD 2 87 ARG HG3 2.282 . 2.933 2.424 2.256 2.497 . 0 0 "[ . 1]" 4 335 1 72 GLU HB2 1 72 GLU QG 3.117 . 3.920 2.327 2.231 2.511 . 0 0 "[ . 1]" 4 336 2 72 GLU HB2 2 72 GLU QG 3.117 . 3.920 2.327 2.231 2.508 . 0 0 "[ . 1]" 4 337 1 46 LYS HB2 1 72 GLU HB3 2.658 . 3.541 3.548 3.371 3.645 0.104 4 0 "[ . 1]" 4 338 2 46 LYS HB2 2 72 GLU HB3 2.658 . 3.541 3.547 3.372 3.645 0.104 4 0 "[ . 1]" 4 339 1 46 LYS HB2 1 72 GLU HB2 3.573 . 5.169 4.537 4.465 4.597 . 0 0 "[ . 1]" 4 340 2 46 LYS HB2 2 72 GLU HB2 3.573 . 5.169 4.536 4.464 4.596 . 0 0 "[ . 1]" 4 341 1 87 ARG HB2 1 87 ARG HG2 2.044 . 2.566 2.341 2.310 2.382 . 0 0 "[ . 1]" 4 342 2 87 ARG HB2 2 87 ARG HG2 2.044 . 2.566 2.341 2.311 2.382 . 0 0 "[ . 1]" 4 343 1 18 VAL MG2 1 72 GLU HB3 3.025 . 4.169 2.509 2.273 2.597 . 0 0 "[ . 1]" 4 344 2 18 VAL MG2 2 72 GLU HB3 3.025 . 4.169 2.509 2.274 2.597 . 0 0 "[ . 1]" 4 345 1 9 VAL HB 1 9 VAL MG2 1.909 . 2.364 2.123 2.119 2.127 . 0 0 "[ . 1]" 4 346 2 9 VAL HB 2 9 VAL MG2 1.909 . 2.364 2.123 2.120 2.127 . 0 0 "[ . 1]" 4 347 1 39 VAL HB 1 39 VAL MG1 2.781 . 3.101 2.107 2.101 2.116 . 0 0 "[ . 1]" 4 348 2 39 VAL HB 2 39 VAL MG1 2.781 . 3.101 2.107 2.100 2.117 . 0 0 "[ . 1]" 4 349 1 18 VAL H 1 18 VAL HB 2.445 . 3.192 2.684 2.625 2.844 . 0 0 "[ . 1]" 4 350 2 18 VAL H 2 18 VAL HB 2.445 . 3.192 2.684 2.627 2.844 . 0 0 "[ . 1]" 4 351 1 57 ARG H 1 57 ARG HB2 3.147 . 4.385 3.539 2.823 3.860 . 0 0 "[ . 1]" 4 352 2 57 ARG H 2 57 ARG HB2 3.147 . 4.385 3.539 2.822 3.859 . 0 0 "[ . 1]" 4 353 1 38 LYS H 1 38 LYS HB2 2.646 . 3.521 2.638 2.381 2.868 . 0 0 "[ . 1]" 4 354 2 38 LYS H 2 38 LYS HB2 2.646 . 3.521 2.638 2.381 2.869 . 0 0 "[ . 1]" 4 355 1 35 ARG QB 1 36 ALA H 3.425 . 4.891 2.956 2.492 3.637 . 0 0 "[ . 1]" 4 356 2 35 ARG QB 2 36 ALA H 3.425 . 4.891 2.955 2.489 3.637 . 0 0 "[ . 1]" 4 357 1 93 ARG HA 1 93 ARG HG3 3.593 . 5.207 3.650 3.584 3.724 . 0 0 "[ . 1]" 4 358 2 93 ARG HA 2 93 ARG HG3 3.593 . 5.207 3.650 3.582 3.725 . 0 0 "[ . 1]" 4 359 1 46 LYS HA 1 46 LYS HB2 2.374 . 3.078 3.022 3.010 3.030 . 0 0 "[ . 1]" 4 360 2 46 LYS HA 2 46 LYS HB2 2.374 . 3.078 3.022 3.008 3.030 . 0 0 "[ . 1]" 4 361 1 13 ARG HB3 1 13 ARG HD2 2.609 . 3.460 2.206 2.098 2.324 . 0 0 "[ . 1]" 4 362 2 13 ARG HB3 2 13 ARG HD2 2.609 . 3.460 2.207 2.099 2.324 . 0 0 "[ . 1]" 4 363 1 35 ARG QB 1 35 ARG QD 2.254 . 2.889 2.234 2.105 2.355 . 0 0 "[ . 1]" 4 364 2 35 ARG QB 2 35 ARG QD 2.254 . 2.889 2.234 2.104 2.356 . 0 0 "[ . 1]" 4 365 1 46 LYS HB2 1 72 GLU QG 2.649 . 3.526 1.975 1.736 2.176 0.036 1 0 "[ . 1]" 4 366 2 46 LYS HB2 2 72 GLU QG 2.649 . 3.526 1.975 1.735 2.176 0.037 1 0 "[ . 1]" 4 367 1 46 LYS HB2 1 46 LYS QG 2.303 . 2.966 2.163 2.126 2.170 . 0 0 "[ . 1]" 4 368 2 46 LYS HB2 2 46 LYS QG 2.303 . 2.966 2.163 2.125 2.170 . 0 0 "[ . 1]" 4 369 1 22 LEU QD 1 93 ARG HG3 2.231 . 2.853 2.800 2.743 2.856 0.003 4 0 "[ . 1]" 4 370 2 22 LEU QD 2 93 ARG HG3 2.231 . 2.853 2.800 2.742 2.857 0.004 4 0 "[ . 1]" 4 371 1 82 LEU HB3 1 82 LEU MD2 2.388 . 3.101 2.428 2.405 2.454 . 0 0 "[ . 1]" 4 372 2 82 LEU HB3 2 82 LEU MD2 2.388 . 3.101 2.428 2.406 2.455 . 0 0 "[ . 1]" 4 373 1 33 LEU QD 1 67 TYR QB 2.395 . 3.112 1.937 1.562 2.668 0.376 8 0 "[ . 1]" 4 374 2 33 LEU QD 2 67 TYR QB 2.395 . 3.112 1.937 1.562 2.668 0.376 8 0 "[ . 1]" 4 375 1 69 VAL HB 1 69 VAL MG2 1.987 . 2.481 2.092 2.055 2.113 . 0 0 "[ . 1]" 4 376 2 69 VAL HB 2 69 VAL MG2 1.987 . 2.481 2.091 2.054 2.112 . 0 0 "[ . 1]" 4 377 1 4 PRO HB2 1 5 LEU MD2 2.165 . 2.751 2.149 1.770 2.490 . 0 0 "[ . 1]" 4 378 2 4 PRO HB2 2 5 LEU MD2 2.165 . 2.751 2.148 1.769 2.491 . 0 0 "[ . 1]" 4 379 1 18 VAL HB 1 18 VAL MG2 2.205 . 2.813 2.128 2.123 2.136 . 0 0 "[ . 1]" 4 380 2 18 VAL HB 2 18 VAL MG2 2.205 . 2.813 2.129 2.123 2.136 . 0 0 "[ . 1]" 4 381 1 47 ILE HB 1 47 ILE MD 2.620 . 3.478 3.204 3.198 3.210 . 0 0 "[ . 1]" 4 382 2 47 ILE HB 2 47 ILE MD 2.620 . 3.478 3.204 3.197 3.210 . 0 0 "[ . 1]" 4 383 1 18 VAL HB 1 18 VAL MG1 2.213 . 2.825 2.091 2.083 2.115 . 0 0 "[ . 1]" 4 384 2 18 VAL HB 2 18 VAL MG1 2.213 . 2.825 2.091 2.084 2.114 . 0 0 "[ . 1]" 4 385 1 54 PRO HB3 1 65 LEU MD1 3.499 . 5.029 3.440 1.933 4.289 0.036 1 0 "[ . 1]" 4 386 2 54 PRO HB3 2 65 LEU MD1 3.499 . 5.029 3.439 1.929 4.290 0.040 1 0 "[ . 1]" 4 387 1 37 VAL H 1 37 VAL HB 2.741 . 3.680 3.547 3.508 3.586 . 0 0 "[ . 1]" 4 388 2 37 VAL H 2 37 VAL HB 2.741 . 3.680 3.550 3.510 3.587 . 0 0 "[ . 1]" 4 389 1 59 LEU H 1 59 LEU HB3 3.185 . 4.453 3.542 3.129 3.662 . 0 0 "[ . 1]" 4 390 2 59 LEU H 2 59 LEU HB3 3.185 . 4.453 3.541 3.129 3.662 . 0 0 "[ . 1]" 4 391 1 57 ARG H 1 57 ARG HB3 3.233 . 4.540 3.660 3.243 4.221 . 0 0 "[ . 1]" 4 392 2 57 ARG H 2 57 ARG HB3 3.233 . 4.540 3.660 3.245 4.221 . 0 0 "[ . 1]" 4 393 1 37 VAL HB 1 38 LYS H 2.763 . 3.717 3.695 3.536 3.760 0.043 4 0 "[ . 1]" 4 394 2 37 VAL HB 2 38 LYS H 2.763 . 3.717 3.698 3.537 3.760 0.043 4 0 "[ . 1]" 4 395 1 13 ARG HA 1 13 ARG HB3 2.334 . 3.015 2.951 2.914 2.983 . 0 0 "[ . 1]" 4 396 2 13 ARG HA 2 13 ARG HB3 2.334 . 3.015 2.950 2.913 2.983 . 0 0 "[ . 1]" 4 397 1 57 ARG HA 1 57 ARG HB3 2.648 . 3.525 2.295 2.197 2.418 . 0 0 "[ . 1]" 4 398 2 57 ARG HA 2 57 ARG HB3 2.648 . 3.525 2.295 2.197 2.418 . 0 0 "[ . 1]" 4 399 1 59 LEU HA 1 59 LEU HB2 2.439 . 3.182 2.951 2.661 3.014 . 0 0 "[ . 1]" 4 400 2 59 LEU HA 2 59 LEU HB2 2.439 . 3.182 2.951 2.660 3.013 . 0 0 "[ . 1]" 4 401 1 75 SER HA 1 78 LEU HB2 4.437 . 6.898 3.141 3.056 3.290 . 0 0 "[ . 1]" 4 402 2 75 SER HA 2 78 LEU HB2 4.437 . 6.898 3.140 3.057 3.290 . 0 0 "[ . 1]" 4 403 1 85 VAL HA 1 85 VAL HB 2.521 . 3.316 2.924 2.888 2.943 . 0 0 "[ . 1]" 4 404 2 85 VAL HA 2 85 VAL HB 2.521 . 3.316 2.924 2.887 2.942 . 0 0 "[ . 1]" 4 405 1 57 ARG HB3 1 58 PRO HD2 2.926 . 3.996 3.979 3.728 4.076 0.080 4 0 "[ . 1]" 4 406 2 57 ARG HB3 2 58 PRO HD2 2.926 . 3.996 3.978 3.726 4.075 0.079 4 0 "[ . 1]" 4 407 1 87 ARG QD 1 87 ARG HG2 2.180 . 2.774 2.197 2.134 2.414 . 0 0 "[ . 1]" 4 408 2 87 ARG QD 2 87 ARG HG2 2.180 . 2.774 2.197 2.134 2.415 . 0 0 "[ . 1]" 4 409 1 54 PRO HB2 1 54 PRO HG3 2.207 . 2.816 2.970 2.960 2.979 0.163 6 0 "[ . 1]" 4 410 2 54 PRO HB2 2 54 PRO HG3 2.207 . 2.816 2.971 2.960 2.979 0.163 6 0 "[ . 1]" 4 411 1 57 ARG HB3 1 57 ARG HD3 2.726 . 3.655 3.123 2.335 3.689 0.034 9 0 "[ . 1]" 4 412 2 57 ARG HB3 2 57 ARG HD3 2.726 . 3.655 3.124 2.337 3.690 0.035 9 0 "[ . 1]" 4 413 1 13 ARG HG3 1 14 ASP QB 2.976 . 4.083 3.470 3.108 3.712 . 0 0 "[ . 1]" 4 414 2 13 ARG HG3 2 14 ASP QB 2.976 . 4.083 3.470 3.107 3.714 . 0 0 "[ . 1]" 4 415 1 21 LEU HB2 1 21 LEU MD2 2.512 . 3.301 2.147 2.099 2.185 . 0 0 "[ . 1]" 4 416 2 21 LEU HB2 2 21 LEU MD2 2.512 . 3.301 2.147 2.098 2.186 . 0 0 "[ . 1]" 4 417 1 59 LEU HB2 1 59 LEU MD2 2.223 . 2.841 2.340 2.078 2.550 . 0 0 "[ . 1]" 4 418 2 59 LEU HB2 2 59 LEU MD2 2.223 . 2.841 2.340 2.079 2.551 . 0 0 "[ . 1]" 4 419 1 5 LEU HB2 1 5 LEU MD2 2.309 . 2.975 2.255 2.216 2.280 . 0 0 "[ . 1]" 4 420 2 5 LEU HB2 2 5 LEU MD2 2.309 . 2.975 2.255 2.217 2.280 . 0 0 "[ . 1]" 4 421 1 39 VAL MG2 1 85 VAL HB 2.546 . 3.356 3.133 2.972 3.266 . 0 0 "[ . 1]" 4 422 2 39 VAL MG2 2 85 VAL HB 2.546 . 3.356 3.132 2.971 3.264 . 0 0 "[ . 1]" 4 423 1 82 LEU MD1 1 85 VAL HB 2.660 . 3.544 3.504 3.422 3.565 0.021 10 0 "[ . 1]" 4 424 2 82 LEU MD1 2 85 VAL HB 2.660 . 3.544 3.504 3.422 3.565 0.021 10 0 "[ . 1]" 4 425 1 13 ARG H 1 13 ARG HG3 3.163 . 4.414 4.673 4.543 4.797 0.383 8 0 "[ . 1]" 4 426 2 13 ARG H 2 13 ARG HG3 3.163 . 4.414 4.672 4.542 4.797 0.383 8 0 "[ . 1]" 4 427 1 47 ILE H 1 47 ILE HG12 3.679 . 5.371 1.802 1.758 1.845 0.229 2 0 "[ . 1]" 4 428 2 47 ILE H 2 47 ILE HG12 3.679 . 5.371 1.802 1.758 1.842 0.229 2 0 "[ . 1]" 4 429 1 7 ALA MB 1 94 SER H 3.683 . 5.379 4.162 3.237 4.838 . 0 0 "[ . 1]" 4 430 2 7 ALA MB 2 94 SER H 3.683 . 5.379 4.161 3.236 4.838 . 0 0 "[ . 1]" 4 431 1 45 ALA H 1 45 ALA MB 2.305 . 2.969 2.113 2.075 2.158 . 0 0 "[ . 1]" 4 432 2 45 ALA H 2 45 ALA MB 2.305 . 2.969 2.113 2.076 2.157 . 0 0 "[ . 1]" 4 433 1 13 ARG HG2 1 16 ASN H 3.519 . 5.067 4.464 3.907 4.789 . 0 0 "[ . 1]" 4 434 2 13 ARG HG2 2 16 ASN H 3.519 . 5.067 4.464 3.909 4.789 . 0 0 "[ . 1]" 4 435 1 45 ALA MB 1 71 PHE HD2 2.470 . 3.233 2.613 2.521 2.695 . 0 0 "[ . 1]" 4 436 2 45 ALA MB 2 71 PHE HD2 2.470 . 3.233 2.613 2.520 2.696 . 0 0 "[ . 1]" 4 437 1 45 ALA MB 1 71 PHE HA 4.267 . 6.543 4.965 4.863 5.095 . 0 0 "[ . 1]" 4 438 2 45 ALA MB 2 71 PHE HA 4.267 . 6.543 4.965 4.865 5.094 . 0 0 "[ . 1]" 4 439 1 92 VAL HA 1 93 ARG HG2 2.957 . 4.050 3.845 3.601 4.051 0.001 5 0 "[ . 1]" 4 440 2 92 VAL HA 2 93 ARG HG2 2.957 . 4.050 3.844 3.600 4.050 0.000 5 0 "[ . 1]" 4 441 1 45 ALA MB 1 73 VAL HA 3.029 . 4.176 2.481 2.435 2.510 . 0 0 "[ . 1]" 4 442 2 45 ALA MB 2 73 VAL HA 3.029 . 4.176 2.482 2.438 2.511 . 0 0 "[ . 1]" 4 443 1 45 ALA HA 1 45 ALA MB 2.420 . 3.152 2.103 2.093 2.110 . 0 0 "[ . 1]" 4 444 2 45 ALA HA 2 45 ALA MB 2.420 . 3.152 2.103 2.094 2.111 . 0 0 "[ . 1]" 4 445 1 13 ARG HA 1 13 ARG HG3 2.475 . 3.241 3.097 2.994 3.225 . 0 0 "[ . 1]" 4 446 2 13 ARG HA 2 13 ARG HG3 2.475 . 3.241 3.097 2.995 3.224 . 0 0 "[ . 1]" 4 447 1 57 ARG HA 1 57 ARG HG2 2.423 . 3.157 3.209 2.817 3.402 0.245 8 0 "[ . 1]" 4 448 2 57 ARG HA 2 57 ARG HG2 2.423 . 3.157 3.209 2.817 3.402 0.245 8 0 "[ . 1]" 4 449 1 40 PHE HA 1 45 ALA MB 2.520 . 3.314 2.741 2.690 2.782 . 0 0 "[ . 1]" 4 450 2 40 PHE HA 2 45 ALA MB 2.520 . 3.314 2.741 2.690 2.781 . 0 0 "[ . 1]" 4 451 1 43 PHE HB3 1 45 ALA MB 3.501 . 5.033 4.050 3.940 4.171 . 0 0 "[ . 1]" 4 452 2 43 PHE HB3 2 45 ALA MB 3.501 . 5.033 4.050 3.940 4.169 . 0 0 "[ . 1]" 4 453 1 13 ARG HG2 1 14 ASP QB 3.614 . 5.247 2.439 2.312 2.602 . 0 0 "[ . 1]" 4 454 2 13 ARG HG2 2 14 ASP QB 3.614 . 5.247 2.439 2.312 2.601 . 0 0 "[ . 1]" 4 455 1 40 PHE HB2 1 45 ALA MB 2.873 . 3.905 3.710 3.675 3.726 . 0 0 "[ . 1]" 4 456 2 40 PHE HB2 2 45 ALA MB 2.873 . 3.905 3.710 3.675 3.727 . 0 0 "[ . 1]" 4 457 1 40 PHE HB3 1 45 ALA MB 2.425 . 3.160 2.978 2.914 3.018 . 0 0 "[ . 1]" 4 458 2 40 PHE HB3 2 45 ALA MB 2.425 . 3.160 2.978 2.913 3.017 . 0 0 "[ . 1]" 4 459 1 43 PHE HB2 1 45 ALA MB 3.099 . 4.300 3.686 3.579 3.774 . 0 0 "[ . 1]" 4 460 2 43 PHE HB2 2 45 ALA MB 3.099 . 4.300 3.685 3.577 3.775 . 0 0 "[ . 1]" 4 461 1 50 LEU HB3 1 69 VAL MG1 2.565 . 3.388 3.612 3.538 3.703 0.315 7 0 "[ . 1]" 4 462 2 50 LEU HB3 2 69 VAL MG1 2.565 . 3.388 3.612 3.535 3.701 0.313 7 0 "[ . 1]" 4 463 1 22 LEU HB3 1 22 LEU QD 2.512 . 3.231 2.061 2.012 2.080 . 0 0 "[ . 1]" 4 464 2 22 LEU HB3 2 22 LEU QD 2.512 . 3.231 2.063 2.012 2.082 . 0 0 "[ . 1]" 4 465 1 47 ILE MG 1 50 LEU HB2 2.525 . 3.322 2.365 2.231 2.492 . 0 0 "[ . 1]" 4 466 2 47 ILE MG 2 50 LEU HB2 2.525 . 3.322 2.365 2.231 2.492 . 0 0 "[ . 1]" 4 467 1 59 LEU HB3 1 59 LEU MD2 2.040 . 2.560 2.279 2.058 2.456 . 0 0 "[ . 1]" 4 468 2 59 LEU HB3 2 59 LEU MD2 2.040 . 2.560 2.279 2.058 2.456 . 0 0 "[ . 1]" 4 469 1 7 ALA MB 1 8 VAL QG 2.343 . 3.029 2.508 2.080 2.994 . 0 0 "[ . 1]" 4 470 2 7 ALA MB 2 8 VAL QG 2.343 . 3.029 2.508 2.080 2.997 . 0 0 "[ . 1]" 4 471 1 45 ALA MB 1 73 VAL MG2 2.483 . 3.254 1.763 1.738 1.780 . 0 0 "[ . 1]" 4 472 2 45 ALA MB 2 73 VAL MG2 2.483 . 3.254 1.763 1.739 1.780 . 0 0 "[ . 1]" 4 473 1 47 ILE MD 1 47 ILE HG13 2.214 . 2.827 2.085 2.082 2.088 . 0 0 "[ . 1]" 4 474 2 47 ILE MD 2 47 ILE HG13 2.214 . 2.827 2.085 2.081 2.090 . 0 0 "[ . 1]" 4 475 1 81 LEU HB2 1 81 LEU MD1 4.153 . 6.309 2.316 2.289 2.348 . 0 0 "[ . 1]" 4 476 2 81 LEU HB2 2 81 LEU MD1 4.153 . 6.309 2.316 2.290 2.347 . 0 0 "[ . 1]" 4 477 1 45 ALA MB 1 81 LEU MD2 2.400 . 3.120 2.415 2.348 2.474 . 0 0 "[ . 1]" 4 478 2 45 ALA MB 2 81 LEU MD2 2.400 . 3.120 2.415 2.347 2.474 . 0 0 "[ . 1]" 4 479 1 21 LEU H 1 95 ALA MB 3.173 . 4.431 3.058 2.822 3.452 . 0 0 "[ . 1]" 4 480 2 21 LEU H 2 95 ALA MB 3.173 . 4.431 3.056 2.822 3.453 . 0 0 "[ . 1]" 4 481 1 22 LEU H 1 95 ALA MB 2.829 . 3.829 3.686 3.610 3.744 . 0 0 "[ . 1]" 4 482 2 22 LEU H 2 95 ALA MB 2.829 . 3.829 3.686 3.610 3.744 . 0 0 "[ . 1]" 4 483 1 80 ALA MB 1 82 LEU H 3.603 . 5.226 4.126 4.098 4.153 . 0 0 "[ . 1]" 4 484 2 80 ALA MB 2 82 LEU H 3.603 . 5.226 4.126 4.099 4.153 . 0 0 "[ . 1]" 4 485 1 20 ASN HD21 1 95 ALA MB 3.203 . 4.486 2.593 1.662 3.185 0.258 2 0 "[ . 1]" 4 486 2 20 ASN HD21 2 95 ALA MB 3.203 . 4.486 2.592 1.661 3.186 0.259 2 0 "[ . 1]" 4 487 1 68 PHE QD 1 95 ALA MB 2.425 . 3.160 2.529 2.356 2.743 . 0 0 "[ . 1]" 4 488 2 68 PHE QD 2 95 ALA MB 2.425 . 3.160 2.529 2.357 2.742 . 0 0 "[ . 1]" 4 489 1 78 LEU H 1 79 ALA MB 3.197 . 4.475 4.225 4.196 4.241 . 0 0 "[ . 1]" 4 490 2 78 LEU H 2 79 ALA MB 3.197 . 4.475 4.225 4.199 4.241 . 0 0 "[ . 1]" 4 491 1 20 ASN HD22 1 95 ALA MB 3.217 . 4.510 3.359 3.053 3.608 . 0 0 "[ . 1]" 4 492 2 20 ASN HD22 2 95 ALA MB 3.217 . 4.510 3.359 3.053 3.608 . 0 0 "[ . 1]" 4 493 1 77 ASP HA 1 80 ALA MB 2.011 . 2.517 1.944 1.882 2.009 . 0 0 "[ . 1]" 4 494 2 77 ASP HA 2 80 ALA MB 2.011 . 2.517 1.943 1.882 2.008 . 0 0 "[ . 1]" 4 495 1 80 ALA MB 1 81 LEU HA 2.910 . 3.969 3.770 3.764 3.783 . 0 0 "[ . 1]" 4 496 2 80 ALA MB 2 81 LEU HA 2.910 . 3.969 3.770 3.765 3.782 . 0 0 "[ . 1]" 4 497 1 82 LEU HB2 1 82 LEU MD2 2.406 . 3.130 2.218 2.207 2.227 . 0 0 "[ . 1]" 4 498 2 82 LEU HB2 2 82 LEU MD2 2.406 . 3.130 2.218 2.208 2.225 . 0 0 "[ . 1]" 4 499 1 33 LEU QD 1 33 LEU HG 2.060 . 2.590 1.863 1.849 1.885 . 0 0 "[ . 1]" 4 500 2 33 LEU QD 2 33 LEU HG 2.060 . 2.590 1.863 1.849 1.885 . 0 0 "[ . 1]" 4 501 1 80 ALA MB 1 81 LEU HG 2.661 . 3.546 2.967 2.862 3.007 . 0 0 "[ . 1]" 4 502 2 80 ALA MB 2 81 LEU HG 2.661 . 3.546 2.966 2.860 3.007 . 0 0 "[ . 1]" 4 503 1 80 ALA MB 1 81 LEU HB3 2.899 . 3.949 3.866 3.852 3.882 . 0 0 "[ . 1]" 4 504 2 80 ALA MB 2 81 LEU HB3 2.899 . 3.949 3.865 3.850 3.881 . 0 0 "[ . 1]" 4 505 1 36 ALA MB 1 37 VAL H 3.076 . 4.259 2.526 2.367 2.690 . 0 0 "[ . 1]" 4 506 2 36 ALA MB 2 37 VAL H 3.076 . 4.259 2.526 2.369 2.690 . 0 0 "[ . 1]" 4 507 1 36 ALA H 1 36 ALA MB 2.626 . 3.488 2.235 2.197 2.263 . 0 0 "[ . 1]" 4 508 2 36 ALA H 2 36 ALA MB 2.626 . 3.488 2.234 2.194 2.262 . 0 0 "[ . 1]" 4 509 1 73 VAL MG1 1 78 LEU H 2.968 . 4.069 2.930 2.877 3.005 . 0 0 "[ . 1]" 4 510 2 73 VAL MG1 2 78 LEU H 2.968 . 4.069 2.930 2.877 3.006 . 0 0 "[ . 1]" 4 511 1 45 ALA H 1 73 VAL MG1 4.017 . 6.034 3.830 3.767 3.876 . 0 0 "[ . 1]" 4 512 2 45 ALA H 2 73 VAL MG1 4.017 . 6.034 3.829 3.767 3.876 . 0 0 "[ . 1]" 4 513 1 73 VAL HA 1 73 VAL MG1 2.336 . 3.018 2.122 2.066 2.147 . 0 0 "[ . 1]" 4 514 2 73 VAL HA 2 73 VAL MG1 2.336 . 3.018 2.123 2.073 2.146 . 0 0 "[ . 1]" 4 515 1 73 VAL MG1 1 77 ASP HB2 2.432 . 3.172 2.263 2.111 3.134 . 0 0 "[ . 1]" 4 516 2 73 VAL MG1 2 77 ASP HB2 2.432 . 3.172 2.262 2.111 3.132 . 0 0 "[ . 1]" 4 517 1 73 VAL HB 1 73 VAL MG1 2.276 . 2.923 2.070 2.064 2.073 . 0 0 "[ . 1]" 4 518 2 73 VAL HB 2 73 VAL MG1 2.276 . 2.923 2.069 2.064 2.073 . 0 0 "[ . 1]" 4 519 1 73 VAL MG1 1 74 PRO HB2 2.760 . 3.712 3.301 3.270 3.381 . 0 0 "[ . 1]" 4 520 2 73 VAL MG1 2 74 PRO HB2 2.760 . 3.712 3.300 3.271 3.377 . 0 0 "[ . 1]" 4 521 1 33 LEU HB3 1 36 ALA MB 2.821 . 3.815 3.517 3.229 3.687 . 0 0 "[ . 1]" 4 522 2 33 LEU HB3 2 36 ALA MB 2.821 . 3.815 3.517 3.230 3.687 . 0 0 "[ . 1]" 4 523 1 33 LEU QD 1 36 ALA MB 2.568 . 3.392 2.541 1.865 3.110 . 0 0 "[ . 1]" 4 524 2 33 LEU QD 2 36 ALA MB 2.568 . 3.392 2.541 1.865 3.108 . 0 0 "[ . 1]" 4 525 1 21 LEU H 1 22 LEU QD 3.793 . 5.592 4.440 4.350 4.500 . 0 0 "[ . 1]" 4 526 2 21 LEU H 2 22 LEU QD 3.793 . 5.592 4.439 4.350 4.494 . 0 0 "[ . 1]" 4 527 1 17 ALA H 1 17 ALA MB 2.564 . 3.386 2.337 2.253 2.396 . 0 0 "[ . 1]" 4 528 2 17 ALA H 2 17 ALA MB 2.564 . 3.386 2.337 2.252 2.397 . 0 0 "[ . 1]" 4 529 1 22 LEU QD 1 68 PHE H 2.520 . 3.314 3.291 3.224 3.493 0.179 8 0 "[ . 1]" 4 530 2 22 LEU QD 2 68 PHE H 2.520 . 3.314 3.290 3.227 3.493 0.179 8 0 "[ . 1]" 4 531 1 22 LEU QD 1 23 PHE H 2.844 . 3.855 3.561 3.466 3.635 . 0 0 "[ . 1]" 4 532 2 22 LEU QD 2 23 PHE H 2.844 . 3.855 3.562 3.466 3.642 . 0 0 "[ . 1]" 4 533 1 55 ALA MB 1 66 GLU H 3.555 . 5.134 3.300 2.710 4.057 . 0 0 "[ . 1]" 4 534 2 55 ALA MB 2 66 GLU H 3.555 . 5.134 3.299 2.709 4.057 . 0 0 "[ . 1]" 4 535 1 22 LEU QD 1 68 PHE QD 2.501 . 3.283 2.487 2.073 2.677 . 0 0 "[ . 1]" 4 536 2 22 LEU QD 2 68 PHE QD 2.501 . 3.283 2.487 2.073 2.679 . 0 0 "[ . 1]" 4 537 1 10 PHE QD 1 17 ALA MB 2.548 . 3.359 1.987 1.824 2.155 . 0 0 "[ . 1]" 4 538 2 10 PHE QD 2 17 ALA MB 2.548 . 3.359 1.987 1.825 2.155 . 0 0 "[ . 1]" 4 539 1 22 LEU QD 1 68 PHE HA 2.537 . 3.342 1.759 1.649 1.863 0.083 8 0 "[ . 1]" 4 540 2 22 LEU QD 2 68 PHE HA 2.537 . 3.342 1.758 1.650 1.861 0.082 8 0 "[ . 1]" 4 541 1 12 GLU HA 1 17 ALA MB 2.853 . 3.870 2.968 2.895 3.071 . 0 0 "[ . 1]" 4 542 2 12 GLU HA 2 17 ALA MB 2.853 . 3.870 2.968 2.894 3.072 . 0 0 "[ . 1]" 4 543 1 17 ALA MB 1 75 SER HA 2.253 . 2.888 2.338 2.048 2.452 . 0 0 "[ . 1]" 4 544 2 17 ALA MB 2 75 SER HA 2.253 . 2.888 2.338 2.049 2.453 . 0 0 "[ . 1]" 4 545 1 22 LEU QD 1 68 PHE HB3 2.804 . 3.787 3.521 3.385 3.641 . 0 0 "[ . 1]" 4 546 2 22 LEU QD 2 68 PHE HB3 2.804 . 3.787 3.520 3.386 3.641 . 0 0 "[ . 1]" 4 547 1 10 PHE QB 1 17 ALA MB 2.993 . 4.113 3.123 2.937 3.629 . 0 0 "[ . 1]" 4 548 2 10 PHE QB 2 17 ALA MB 2.993 . 4.113 3.123 2.936 3.631 . 0 0 "[ . 1]" 4 549 1 55 ALA MB 1 56 GLN HG2 3.219 . 4.514 3.662 2.550 4.165 . 0 0 "[ . 1]" 4 550 2 55 ALA MB 2 56 GLN HG2 3.219 . 4.514 3.662 2.550 4.165 . 0 0 "[ . 1]" 4 551 1 78 LEU HB3 1 78 LEU MD2 3.815 . 5.634 2.345 2.317 2.362 . 0 0 "[ . 1]" 4 552 2 78 LEU HB3 2 78 LEU MD2 3.815 . 5.634 2.346 2.317 2.363 . 0 0 "[ . 1]" 4 553 1 17 ALA MB 1 78 LEU MD2 2.346 . 3.034 1.705 1.673 1.736 . 0 0 "[ . 1]" 4 554 2 17 ALA MB 2 78 LEU MD2 2.346 . 3.034 1.705 1.673 1.736 . 0 0 "[ . 1]" 4 555 1 50 LEU MD2 1 51 GLU H 2.528 . 3.327 2.096 1.731 2.288 . 0 0 "[ . 1]" 4 556 2 50 LEU MD2 2 51 GLU H 2.528 . 3.327 2.096 1.732 2.288 . 0 0 "[ . 1]" 4 557 1 50 LEU HA 1 50 LEU MD2 2.433 . 3.173 2.251 2.202 2.362 . 0 0 "[ . 1]" 4 558 2 50 LEU HA 2 50 LEU MD2 2.433 . 3.173 2.251 2.200 2.361 . 0 0 "[ . 1]" 4 559 1 92 VAL HA 1 92 VAL MG1 2.308 . 2.974 2.029 1.815 2.442 . 0 0 "[ . 1]" 4 560 2 92 VAL HA 2 92 VAL MG1 2.308 . 2.974 2.029 1.816 2.443 . 0 0 "[ . 1]" 4 561 1 19 LEU QD 1 71 PHE HE1 3.547 . 5.120 3.367 3.075 3.506 . 0 0 "[ . 1]" 4 562 2 19 LEU QD 2 71 PHE HE1 3.547 . 5.120 3.367 3.072 3.507 . 0 0 "[ . 1]" 4 563 1 81 LEU MD2 1 81 LEU HG 2.291 . 2.947 2.114 2.106 2.118 . 0 0 "[ . 1]" 4 564 2 81 LEU MD2 2 81 LEU HG 2.291 . 2.947 2.114 2.106 2.117 . 0 0 "[ . 1]" 4 565 1 47 ILE MG 1 48 HIS H 2.955 . 4.047 2.417 2.277 2.570 . 0 0 "[ . 1]" 4 566 2 47 ILE MG 2 48 HIS H 2.955 . 4.047 2.417 2.276 2.571 . 0 0 "[ . 1]" 4 567 1 13 ARG H 1 18 VAL MG2 2.656 . 3.538 3.274 3.086 3.560 0.022 8 0 "[ . 1]" 4 568 2 13 ARG H 2 18 VAL MG2 2.656 . 3.538 3.274 3.085 3.559 0.021 8 0 "[ . 1]" 4 569 1 82 LEU H 1 82 LEU MD2 2.815 . 3.805 3.685 3.660 3.714 . 0 0 "[ . 1]" 4 570 2 82 LEU H 2 82 LEU MD2 2.815 . 3.805 3.685 3.660 3.714 . 0 0 "[ . 1]" 4 571 1 78 LEU MD1 1 79 ALA H 3.215 . 4.507 4.219 4.204 4.244 . 0 0 "[ . 1]" 4 572 2 78 LEU MD1 2 79 ALA H 3.215 . 4.507 4.218 4.204 4.244 . 0 0 "[ . 1]" 4 573 1 19 LEU QD 1 20 ASN H 2.997 . 4.119 3.399 3.282 3.553 . 0 0 "[ . 1]" 4 574 2 19 LEU QD 2 20 ASN H 2.997 . 4.119 3.399 3.282 3.553 . 0 0 "[ . 1]" 4 575 1 78 LEU MD1 1 81 LEU H 3.446 . 4.930 4.708 4.682 4.748 . 0 0 "[ . 1]" 4 576 2 78 LEU MD1 2 81 LEU H 3.446 . 4.930 4.708 4.681 4.748 . 0 0 "[ . 1]" 4 577 1 78 LEU H 1 78 LEU MD1 2.975 . 4.081 3.800 3.751 3.818 . 0 0 "[ . 1]" 4 578 2 78 LEU H 2 78 LEU MD1 2.975 . 4.081 3.799 3.751 3.817 . 0 0 "[ . 1]" 4 579 1 69 VAL MG1 1 71 PHE HD1 2.483 . 3.253 3.006 2.850 3.164 . 0 0 "[ . 1]" 4 580 2 69 VAL MG1 2 71 PHE HD1 2.483 . 3.253 3.006 2.852 3.165 . 0 0 "[ . 1]" 4 581 1 18 VAL MG1 1 72 GLU HA 3.122 . 4.340 3.676 3.290 3.809 . 0 0 "[ . 1]" 4 582 2 18 VAL MG1 2 72 GLU HA 3.122 . 4.340 3.676 3.291 3.807 . 0 0 "[ . 1]" 4 583 1 47 ILE MG 1 71 PHE HA 2.964 . 4.062 2.848 2.795 2.937 . 0 0 "[ . 1]" 4 584 2 47 ILE MG 2 71 PHE HA 2.964 . 4.062 2.848 2.796 2.937 . 0 0 "[ . 1]" 4 585 1 12 GLU HA 1 18 VAL MG2 2.975 . 4.081 3.762 3.140 4.053 . 0 0 "[ . 1]" 4 586 2 12 GLU HA 2 18 VAL MG2 2.975 . 4.081 3.762 3.140 4.053 . 0 0 "[ . 1]" 4 587 1 42 THR HB 1 42 THR MG 2.163 . 2.748 2.116 2.094 2.128 . 0 0 "[ . 1]" 4 588 2 42 THR HB 2 42 THR MG 2.163 . 2.748 2.116 2.094 2.128 . 0 0 "[ . 1]" 4 589 1 9 VAL HA 1 19 LEU QD 3.803 . 5.611 4.847 4.451 5.141 . 0 0 "[ . 1]" 4 590 2 9 VAL HA 2 19 LEU QD 3.803 . 5.611 4.847 4.452 5.141 . 0 0 "[ . 1]" 4 591 1 19 LEU QD 1 94 SER QB 3.681 . 5.375 3.835 3.537 4.394 . 0 0 "[ . 1]" 4 592 2 19 LEU QD 2 94 SER QB 3.681 . 5.375 3.835 3.537 4.394 . 0 0 "[ . 1]" 4 593 1 47 ILE HA 1 47 ILE MG 2.677 . 3.573 1.973 1.947 2.023 . 0 0 "[ . 1]" 4 594 2 47 ILE HA 2 47 ILE MG 2.677 . 3.573 1.973 1.946 2.024 . 0 0 "[ . 1]" 4 595 1 78 LEU HA 1 78 LEU MD1 2.325 . 3.001 1.801 1.771 1.845 . 0 0 "[ . 1]" 4 596 2 78 LEU HA 2 78 LEU MD1 2.325 . 3.001 1.800 1.771 1.844 . 0 0 "[ . 1]" 4 597 1 10 PHE QB 1 19 LEU QD 2.655 . 3.536 1.747 1.581 1.886 0.193 6 0 "[ . 1]" 4 598 2 10 PHE QB 2 19 LEU QD 2.655 . 3.536 1.747 1.582 1.886 0.192 6 0 "[ . 1]" 4 599 1 47 ILE MG 1 71 PHE HB3 2.780 . 3.746 2.094 1.978 2.240 . 0 0 "[ . 1]" 4 600 2 47 ILE MG 2 71 PHE HB3 2.780 . 3.746 2.094 1.976 2.238 . 0 0 "[ . 1]" 4 601 1 19 LEU HB3 1 19 LEU QD 2.586 . 3.422 2.033 1.906 2.089 0.034 6 0 "[ . 1]" 4 602 2 19 LEU HB3 2 19 LEU QD 2.586 . 3.422 2.032 1.906 2.089 0.034 6 0 "[ . 1]" 4 603 1 78 LEU HB2 1 78 LEU MD1 2.324 . 2.999 2.357 2.314 2.384 . 0 0 "[ . 1]" 4 604 2 78 LEU HB2 2 78 LEU MD1 2.324 . 2.999 2.357 2.315 2.381 . 0 0 "[ . 1]" 4 605 1 47 ILE HB 1 47 ILE MG 2.239 . 2.866 2.081 2.080 2.083 . 0 0 "[ . 1]" 4 606 2 47 ILE HB 2 47 ILE MG 2.239 . 2.866 2.081 2.079 2.083 . 0 0 "[ . 1]" 4 607 1 19 LEU HB2 1 19 LEU QD 2.537 . 3.341 2.057 1.997 2.127 . 0 0 "[ . 1]" 4 608 2 19 LEU HB2 2 19 LEU QD 2.537 . 3.341 2.057 1.997 2.129 . 0 0 "[ . 1]" 4 609 1 78 LEU HG 1 82 LEU MD2 2.107 . 2.662 1.768 1.744 1.798 . 0 0 "[ . 1]" 4 610 2 78 LEU HG 2 82 LEU MD2 2.107 . 2.662 1.767 1.746 1.797 . 0 0 "[ . 1]" 4 611 1 78 LEU MD1 1 78 LEU HG 2.257 . 2.894 2.103 2.101 2.106 . 0 0 "[ . 1]" 4 612 2 78 LEU MD1 2 78 LEU HG 2.257 . 2.894 2.103 2.100 2.106 . 0 0 "[ . 1]" 4 613 1 78 LEU MD1 1 81 LEU MD1 2.226 . 2.845 2.266 2.215 2.328 . 0 0 "[ . 1]" 4 614 2 78 LEU MD1 2 81 LEU MD1 2.226 . 2.845 2.267 2.216 2.329 . 0 0 "[ . 1]" 4 615 1 33 LEU QD 1 67 TYR HE1 3.003 . 4.130 3.252 2.671 3.780 . 0 0 "[ . 1]" 4 616 2 33 LEU QD 2 67 TYR HE1 3.003 . 4.130 3.252 2.672 3.782 . 0 0 "[ . 1]" 4 617 1 47 ILE MD 1 48 HIS H 3.637 . 5.291 4.124 4.083 4.180 . 0 0 "[ . 1]" 4 618 2 47 ILE MD 2 48 HIS H 3.637 . 5.291 4.124 4.083 4.181 . 0 0 "[ . 1]" 4 619 1 39 VAL H 1 39 VAL MG1 2.545 . 3.354 3.630 3.625 3.634 0.280 2 0 "[ . 1]" 4 620 2 39 VAL H 2 39 VAL MG1 2.545 . 3.354 3.630 3.625 3.633 0.279 4 0 "[ . 1]" 4 621 1 47 ILE MD 1 71 PHE HD2 3.241 . 4.554 3.213 3.023 3.373 . 0 0 "[ . 1]" 4 622 2 47 ILE MD 2 71 PHE HD2 3.241 . 4.554 3.213 3.023 3.373 . 0 0 "[ . 1]" 4 623 1 47 ILE HA 1 47 ILE MD 2.828 . 3.828 2.385 2.333 2.460 . 0 0 "[ . 1]" 4 624 2 47 ILE HA 2 47 ILE MD 2.828 . 3.828 2.385 2.333 2.460 . 0 0 "[ . 1]" 4 625 1 40 PHE HA 1 47 ILE MD 3.198 . 4.477 3.655 3.621 3.710 . 0 0 "[ . 1]" 4 626 2 40 PHE HA 2 47 ILE MD 3.198 . 4.477 3.655 3.620 3.710 . 0 0 "[ . 1]" 4 627 1 40 PHE HB2 1 47 ILE MD 3.078 . 4.262 1.734 1.672 1.773 0.222 8 0 "[ . 1]" 4 628 2 40 PHE HB2 2 47 ILE MD 3.078 . 4.262 1.734 1.673 1.774 0.221 8 0 "[ . 1]" 4 629 1 40 PHE HB3 1 47 ILE MD 2.659 . 3.543 2.232 2.166 2.278 . 0 0 "[ . 1]" 4 630 2 40 PHE HB3 2 47 ILE MD 2.659 . 3.543 2.232 2.165 2.277 . 0 0 "[ . 1]" 4 631 1 39 VAL MG1 1 85 VAL HB 2.940 . 4.021 2.907 2.742 3.004 . 0 0 "[ . 1]" 4 632 2 39 VAL MG1 2 85 VAL HB 2.940 . 4.021 2.907 2.743 3.006 . 0 0 "[ . 1]" 4 633 1 39 VAL MG1 1 81 LEU HB2 3.216 . 4.509 1.699 1.652 1.740 0.271 7 0 "[ . 1]" 4 634 2 39 VAL MG1 2 81 LEU HB2 3.216 . 4.509 1.699 1.653 1.741 0.270 7 0 "[ . 1]" 4 635 1 39 VAL MG1 1 85 VAL MG2 2.187 . 2.785 1.848 1.789 1.914 . 0 0 "[ . 1]" 4 636 2 39 VAL MG1 2 85 VAL MG2 2.187 . 2.785 1.849 1.791 1.912 . 0 0 "[ . 1]" 4 637 1 79 ALA H 1 81 LEU MD1 3.381 . 4.810 4.407 4.371 4.430 . 0 0 "[ . 1]" 4 638 2 79 ALA H 2 81 LEU MD1 3.381 . 4.810 4.407 4.371 4.431 . 0 0 "[ . 1]" 4 639 1 81 LEU MD1 1 82 LEU H 2.738 . 3.675 1.950 1.898 2.020 . 0 0 "[ . 1]" 4 640 2 81 LEU MD1 2 82 LEU H 2.738 . 3.675 1.950 1.900 2.022 . 0 0 "[ . 1]" 4 641 1 85 VAL H 1 85 VAL MG1 2.699 . 3.609 3.412 3.353 3.438 . 0 0 "[ . 1]" 4 642 2 85 VAL H 2 85 VAL MG1 2.699 . 3.609 3.413 3.354 3.438 . 0 0 "[ . 1]" 4 643 1 43 PHE HD2 1 81 LEU MD1 3.523 . 5.074 3.964 3.945 3.985 . 0 0 "[ . 1]" 4 644 2 43 PHE HD2 2 81 LEU MD1 3.523 . 5.074 3.964 3.945 3.985 . 0 0 "[ . 1]" 4 645 1 33 LEU QD 1 67 TYR QD 2.813 . 3.802 2.300 2.087 2.563 . 0 0 "[ . 1]" 4 646 2 33 LEU QD 2 67 TYR QD 2.813 . 3.802 2.300 2.087 2.563 . 0 0 "[ . 1]" 4 647 1 85 VAL MG1 1 86 ARG HA 2.713 . 3.633 3.102 2.984 3.213 . 0 0 "[ . 1]" 4 648 2 85 VAL MG1 2 86 ARG HA 2.713 . 3.633 3.102 2.984 3.215 . 0 0 "[ . 1]" 4 649 1 33 LEU HA 1 33 LEU QD 2.541 . 3.348 1.972 1.685 2.542 0.049 3 0 "[ . 1]" 4 650 2 33 LEU HA 2 33 LEU QD 2.541 . 3.348 1.969 1.683 2.537 0.051 3 0 "[ . 1]" 4 651 1 78 LEU HA 1 81 LEU MD1 2.478 . 3.245 2.108 2.038 2.168 . 0 0 "[ . 1]" 4 652 2 78 LEU HA 2 81 LEU MD1 2.478 . 3.245 2.108 2.038 2.168 . 0 0 "[ . 1]" 4 653 1 43 PHE HB2 1 81 LEU MD1 3.352 . 4.756 3.962 3.932 3.987 . 0 0 "[ . 1]" 4 654 2 43 PHE HB2 2 81 LEU MD1 3.352 . 4.756 3.963 3.932 3.987 . 0 0 "[ . 1]" 4 655 1 73 VAL HB 1 81 LEU MD1 3.423 . 4.888 3.070 2.998 3.129 . 0 0 "[ . 1]" 4 656 2 73 VAL HB 2 81 LEU MD1 3.423 . 4.888 3.070 3.000 3.129 . 0 0 "[ . 1]" 4 657 1 81 LEU MD1 1 82 LEU HB2 2.596 . 3.439 3.310 3.298 3.328 . 0 0 "[ . 1]" 4 658 2 81 LEU MD1 2 82 LEU HB2 2.596 . 3.439 3.310 3.298 3.327 . 0 0 "[ . 1]" 4 659 1 85 VAL H 1 85 VAL MG2 2.393 . 3.109 2.789 2.692 2.957 . 0 0 "[ . 1]" 4 660 2 85 VAL H 2 85 VAL MG2 2.393 . 3.109 2.790 2.695 2.956 . 0 0 "[ . 1]" 4 661 1 85 VAL MG2 1 86 ARG H 3.259 . 4.586 4.204 4.180 4.232 . 0 0 "[ . 1]" 4 662 2 85 VAL MG2 2 86 ARG H 3.259 . 4.586 4.204 4.180 4.233 . 0 0 "[ . 1]" 4 663 1 36 ALA HA 1 85 VAL MG2 2.757 . 3.707 3.162 3.016 3.390 . 0 0 "[ . 1]" 4 664 2 36 ALA HA 2 85 VAL MG2 2.757 . 3.707 3.162 3.017 3.390 . 0 0 "[ . 1]" 4 665 1 85 VAL HA 1 85 VAL MG2 2.345 . 3.033 2.109 2.047 2.131 . 0 0 "[ . 1]" 4 666 2 85 VAL HA 2 85 VAL MG2 2.345 . 3.033 2.110 2.047 2.131 . 0 0 "[ . 1]" 4 667 1 78 LEU MD2 1 79 ALA H 3.184 . 4.451 3.632 3.500 3.687 . 0 0 "[ . 1]" 4 668 2 78 LEU MD2 2 79 ALA H 3.184 . 4.451 3.632 3.501 3.687 . 0 0 "[ . 1]" 4 669 1 11 GLU H 1 78 LEU MD2 4.729 . 7.525 4.628 4.396 5.422 . 0 0 "[ . 1]" 4 670 2 11 GLU H 2 78 LEU MD2 4.729 . 7.525 4.628 4.396 5.422 . 0 0 "[ . 1]" 4 671 1 10 PHE QD 1 78 LEU MD2 2.818 . 3.810 2.543 2.296 2.813 . 0 0 "[ . 1]" 4 672 2 10 PHE QD 2 78 LEU MD2 2.818 . 3.810 2.543 2.294 2.813 . 0 0 "[ . 1]" 4 673 1 75 SER HA 1 78 LEU MD2 2.561 . 3.381 3.287 3.230 3.344 . 0 0 "[ . 1]" 4 674 2 75 SER HA 2 78 LEU MD2 2.561 . 3.381 3.287 3.229 3.344 . 0 0 "[ . 1]" 4 675 1 10 PHE QB 1 78 LEU MD2 3.441 . 4.921 2.731 2.300 3.247 . 0 0 "[ . 1]" 4 676 2 10 PHE QB 2 78 LEU MD2 3.441 . 4.921 2.731 2.301 3.247 . 0 0 "[ . 1]" 4 677 1 78 LEU HB2 1 78 LEU MD2 2.512 . 3.301 2.407 2.367 2.486 . 0 0 "[ . 1]" 4 678 2 78 LEU HB2 2 78 LEU MD2 2.512 . 3.301 2.406 2.367 2.488 . 0 0 "[ . 1]" 4 679 1 78 LEU MD2 1 78 LEU HG 2.443 . 3.189 2.112 2.106 2.117 . 0 0 "[ . 1]" 4 680 2 78 LEU MD2 2 78 LEU HG 2.443 . 3.189 2.112 2.107 2.118 . 0 0 "[ . 1]" 4 681 1 17 ALA HA 1 78 LEU MD2 3.389 . 4.825 4.113 3.969 4.180 . 0 0 "[ . 1]" 4 682 2 17 ALA HA 2 78 LEU MD2 3.389 . 4.825 4.112 3.967 4.181 . 0 0 "[ . 1]" 4 683 1 19 LEU QD 1 78 LEU MD2 2.585 . 3.420 1.639 1.527 1.748 0.223 8 0 "[ . 1]" 4 684 2 19 LEU QD 2 78 LEU MD2 2.585 . 3.420 1.639 1.527 1.747 0.223 8 0 "[ . 1]" 4 685 1 39 VAL HA 1 81 LEU HB2 3.844 . 5.691 3.051 2.902 3.171 . 0 0 "[ . 1]" 4 686 2 39 VAL HA 2 81 LEU HB2 3.844 . 5.691 3.050 2.901 3.171 . 0 0 "[ . 1]" 4 687 1 39 VAL HA 1 85 VAL MG2 3.770 . 5.547 4.312 4.249 4.471 . 0 0 "[ . 1]" 4 688 2 39 VAL HA 2 85 VAL MG2 3.770 . 5.547 4.311 4.249 4.471 . 0 0 "[ . 1]" 4 689 1 39 VAL HA 1 84 SER QB 3.688 . 5.388 3.340 3.096 3.488 . 0 0 "[ . 1]" 4 690 2 39 VAL HA 2 84 SER QB 3.688 . 5.388 3.340 3.095 3.488 . 0 0 "[ . 1]" 4 691 1 39 VAL HA 1 43 PHE H 3.665 . 5.344 4.789 4.716 4.871 . 0 0 "[ . 1]" 4 692 2 39 VAL HA 2 43 PHE H 3.665 . 5.344 4.789 4.716 4.872 . 0 0 "[ . 1]" 4 693 1 39 VAL HA 1 42 THR H 4.574 . 7.189 3.438 3.326 3.598 . 0 0 "[ . 1]" 4 694 2 39 VAL HA 2 42 THR H 4.574 . 7.189 3.438 3.325 3.601 . 0 0 "[ . 1]" 4 695 1 24 SER QB 1 66 GLU QG 3.388 . 4.823 3.629 2.242 4.399 . 0 0 "[ . 1]" 4 696 2 24 SER QB 2 66 GLU QG 3.388 . 4.823 3.630 2.241 4.398 . 0 0 "[ . 1]" 4 697 1 24 SER QB 1 66 GLU HB3 3.618 . 5.254 3.473 2.230 5.043 . 0 0 "[ . 1]" 4 698 2 24 SER QB 2 66 GLU HB3 3.618 . 5.254 3.473 2.234 5.042 . 0 0 "[ . 1]" 4 699 1 37 VAL HA 1 40 PHE H 3.837 . 5.677 3.644 3.420 3.954 . 0 0 "[ . 1]" 4 700 2 37 VAL HA 2 40 PHE H 3.837 . 5.677 3.645 3.419 3.951 . 0 0 "[ . 1]" 4 701 1 42 THR HA 1 44 GLU H 4.107 . 6.215 3.704 3.654 3.756 . 0 0 "[ . 1]" 4 702 2 42 THR HA 2 44 GLU H 4.107 . 6.215 3.705 3.653 3.758 . 0 0 "[ . 1]" 4 703 1 85 VAL MG1 1 89 SER QB 3.869 . 5.740 3.369 2.755 4.150 . 0 0 "[ . 1]" 4 704 2 85 VAL MG1 2 89 SER QB 3.869 . 5.740 3.370 2.756 4.150 . 0 0 "[ . 1]" 4 705 1 89 SER HA 1 89 SER QB 3.836 . 5.394 2.280 2.186 2.408 . 0 0 "[ . 1]" 4 706 2 89 SER HA 2 89 SER QB 3.836 . 5.394 2.279 2.186 2.408 . 0 0 "[ . 1]" 4 707 1 32 SER QB 1 35 ARG QB 3.174 . 4.434 3.634 2.814 4.208 . 0 0 "[ . 1]" 4 708 2 32 SER QB 2 35 ARG QB 3.174 . 4.434 3.634 2.812 4.208 . 0 0 "[ . 1]" 4 709 1 74 PRO HA 1 75 SER HA 3.279 . 4.623 4.388 4.368 4.404 . 0 0 "[ . 1]" 4 710 2 74 PRO HA 2 75 SER HA 3.279 . 4.623 4.388 4.368 4.404 . 0 0 "[ . 1]" 4 711 1 16 ASN QB 1 74 PRO HA 2.935 . 4.012 2.362 2.015 2.607 . 0 0 "[ . 1]" 4 712 2 16 ASN QB 2 74 PRO HA 2.935 . 4.012 2.361 2.016 2.606 . 0 0 "[ . 1]" 4 713 1 32 SER HA 1 32 SER QB 4.285 . 6.580 2.322 2.187 2.465 . 0 0 "[ . 1]" 4 714 2 32 SER HA 2 32 SER QB 4.285 . 6.580 2.322 2.185 2.465 . 0 0 "[ . 1]" 4 715 1 63 PRO HA 1 63 PRO HB2 2.390 . 3.104 2.971 2.809 3.006 . 0 0 "[ . 1]" 4 716 2 63 PRO HA 2 63 PRO HB2 2.390 . 3.104 2.971 2.810 3.008 . 0 0 "[ . 1]" 4 717 1 54 PRO HA 1 55 ALA MB 3.364 . 4.779 3.801 3.618 4.009 . 0 0 "[ . 1]" 4 718 2 54 PRO HA 2 55 ALA MB 3.364 . 4.779 3.800 3.621 4.010 . 0 0 "[ . 1]" 4 719 1 54 PRO HA 1 65 LEU MD1 2.877 . 3.912 1.917 1.700 2.305 0.142 9 0 "[ . 1]" 4 720 2 54 PRO HA 2 65 LEU MD1 2.877 . 3.912 1.917 1.701 2.306 0.141 9 0 "[ . 1]" 4 721 1 94 SER HA 1 95 ALA MB 3.132 . 4.358 3.894 3.797 3.961 . 0 0 "[ . 1]" 4 722 2 94 SER HA 2 95 ALA MB 3.132 . 4.358 3.893 3.798 3.959 . 0 0 "[ . 1]" 4 723 1 50 LEU H 1 69 VAL HA 3.646 . 5.308 4.708 4.499 4.929 . 0 0 "[ . 1]" 4 724 2 50 LEU H 2 69 VAL HA 3.646 . 5.308 4.708 4.498 4.929 . 0 0 "[ . 1]" 4 725 1 69 VAL HA 1 69 VAL MG2 2.541 . 3.348 2.562 2.504 2.599 . 0 0 "[ . 1]" 4 726 2 69 VAL HA 2 69 VAL MG2 2.541 . 3.348 2.562 2.504 2.598 . 0 0 "[ . 1]" 4 727 1 69 VAL HA 1 69 VAL HB 2.923 . 3.991 2.998 2.980 3.012 . 0 0 "[ . 1]" 4 728 2 69 VAL HA 2 69 VAL HB 2.923 . 3.991 2.998 2.980 3.010 . 0 0 "[ . 1]" 4 729 1 50 LEU HA 1 69 VAL HA 3.109 . 4.317 2.222 2.106 2.367 . 0 0 "[ . 1]" 4 730 2 50 LEU HA 2 69 VAL HA 3.109 . 4.317 2.222 2.105 2.366 . 0 0 "[ . 1]" 4 731 1 73 VAL HA 1 73 VAL HB 2.822 . 3.818 2.999 2.993 3.004 . 0 0 "[ . 1]" 4 732 2 73 VAL HA 2 73 VAL HB 2.822 . 3.818 2.999 2.992 3.004 . 0 0 "[ . 1]" 4 733 1 73 VAL HA 1 74 PRO HD3 2.769 . 3.728 2.450 2.431 2.480 . 0 0 "[ . 1]" 4 734 2 73 VAL HA 2 74 PRO HD3 2.769 . 3.728 2.450 2.428 2.479 . 0 0 "[ . 1]" 4 735 1 73 VAL HA 1 74 PRO HG2 3.182 . 4.448 4.475 4.462 4.493 0.045 8 0 "[ . 1]" 4 736 2 73 VAL HA 2 74 PRO HG2 3.182 . 4.448 4.474 4.462 4.493 0.045 8 0 "[ . 1]" 4 737 1 24 SER HA 1 25 LEU H 2.703 . 3.616 2.274 2.130 2.533 . 0 0 "[ . 1]" 4 738 2 24 SER HA 2 25 LEU H 2.703 . 3.616 2.274 2.128 2.533 . 0 0 "[ . 1]" 4 739 1 24 SER HA 1 67 TYR QD 3.830 . 5.664 4.783 4.449 5.019 . 0 0 "[ . 1]" 4 740 2 24 SER HA 2 67 TYR QD 3.830 . 5.664 4.783 4.450 5.018 . 0 0 "[ . 1]" 4 741 1 23 PHE HA 1 92 VAL MG1 2.668 . 3.558 2.160 1.548 3.539 0.230 4 0 "[ . 1]" 4 742 2 23 PHE HA 2 92 VAL MG1 2.668 . 3.558 2.160 1.549 3.540 0.229 4 0 "[ . 1]" 4 743 1 68 PHE H 1 68 PHE HA 2.913 . 3.974 2.895 2.815 2.923 . 0 0 "[ . 1]" 4 744 2 68 PHE H 2 68 PHE HA 2.913 . 3.974 2.895 2.813 2.924 . 0 0 "[ . 1]" 4 745 1 12 GLU HA 1 12 GLU HB3 2.575 . 3.404 2.384 2.166 2.450 . 0 0 "[ . 1]" 4 746 2 12 GLU HA 2 12 GLU HB3 2.575 . 3.404 2.384 2.165 2.451 . 0 0 "[ . 1]" 4 747 1 10 PHE HA 1 19 LEU HB2 3.971 . 5.942 3.302 2.967 4.908 . 0 0 "[ . 1]" 4 748 2 10 PHE HA 2 19 LEU HB2 3.971 . 5.942 3.302 2.968 4.908 . 0 0 "[ . 1]" 4 749 1 10 PHE HA 1 19 LEU HB3 3.486 . 5.005 2.480 2.064 4.389 . 0 0 "[ . 1]" 4 750 2 10 PHE HA 2 19 LEU HB3 3.486 . 5.005 2.480 2.065 4.386 . 0 0 "[ . 1]" 4 751 1 10 PHE HA 1 10 PHE QB 2.513 . 3.303 2.211 2.177 2.394 . 0 0 "[ . 1]" 4 752 2 10 PHE HA 2 10 PHE QB 2.513 . 3.303 2.210 2.177 2.393 . 0 0 "[ . 1]" 4 753 1 10 PHE HA 1 10 PHE QD 3.399 . 4.843 3.505 1.996 3.706 . 0 0 "[ . 1]" 4 754 2 10 PHE HA 2 10 PHE QD 3.399 . 4.843 3.505 1.996 3.705 . 0 0 "[ . 1]" 4 755 1 50 LEU HA 1 69 VAL MG1 2.560 . 3.379 1.882 1.742 2.308 . 0 0 "[ . 1]" 4 756 2 50 LEU HA 2 69 VAL MG1 2.560 . 3.379 1.881 1.738 2.308 0.003 8 0 "[ . 1]" 4 757 1 70 ARG HA 1 70 ARG QB 3.285 . 4.634 2.376 2.171 2.520 . 0 0 "[ . 1]" 4 758 2 70 ARG HA 2 70 ARG QB 3.285 . 4.634 2.376 2.171 2.521 . 0 0 "[ . 1]" 4 759 1 77 ASP HA 1 77 ASP HB3 2.462 . 3.220 2.524 2.454 2.923 . 0 0 "[ . 1]" 4 760 2 77 ASP HA 2 77 ASP HB3 2.462 . 3.220 2.524 2.452 2.923 . 0 0 "[ . 1]" 4 761 1 77 ASP HA 1 77 ASP HB2 2.614 . 3.468 3.002 2.774 3.028 . 0 0 "[ . 1]" 4 762 2 77 ASP HA 2 77 ASP HB2 2.614 . 3.468 3.001 2.773 3.027 . 0 0 "[ . 1]" 4 763 1 73 VAL MG1 1 77 ASP HA 3.811 . 5.626 3.949 3.864 3.991 . 0 0 "[ . 1]" 4 764 2 73 VAL MG1 2 77 ASP HA 3.811 . 5.626 3.949 3.862 3.990 . 0 0 "[ . 1]" 4 765 1 25 LEU HA 1 26 ARG H 2.435 . 3.176 2.553 2.140 2.847 . 0 0 "[ . 1]" 4 766 2 25 LEU HA 2 26 ARG H 2.435 . 3.176 2.553 2.141 2.848 . 0 0 "[ . 1]" 4 767 1 22 LEU HA 1 22 LEU HG 3.789 . 5.583 2.770 2.655 2.900 . 0 0 "[ . 1]" 4 768 2 22 LEU HA 2 22 LEU HG 3.789 . 5.583 2.770 2.656 2.901 . 0 0 "[ . 1]" 4 769 1 72 GLU H 1 72 GLU HA 2.566 . 3.389 2.946 2.936 2.952 . 0 0 "[ . 1]" 4 770 2 72 GLU H 2 72 GLU HA 2.566 . 3.389 2.945 2.936 2.952 . 0 0 "[ . 1]" 4 771 1 18 VAL HA 1 72 GLU HA 3.083 . 4.271 2.251 2.022 2.414 . 0 0 "[ . 1]" 4 772 2 18 VAL HA 2 72 GLU HA 3.083 . 4.271 2.251 2.023 2.411 . 0 0 "[ . 1]" 4 773 1 72 GLU HA 1 72 GLU HB2 2.979 . 4.088 2.247 2.230 2.271 . 0 0 "[ . 1]" 4 774 2 72 GLU HA 2 72 GLU HB2 2.979 . 4.088 2.246 2.230 2.272 . 0 0 "[ . 1]" 4 775 1 72 GLU HA 1 73 VAL MG2 3.700 . 5.411 3.372 3.330 3.387 . 0 0 "[ . 1]" 4 776 2 72 GLU HA 2 73 VAL MG2 3.700 . 5.411 3.373 3.332 3.388 . 0 0 "[ . 1]" 4 777 1 66 GLU HA 1 67 TYR H 2.268 . 2.911 2.452 2.146 2.776 . 0 0 "[ . 1]" 4 778 2 66 GLU HA 2 67 TYR H 2.268 . 2.911 2.452 2.145 2.775 . 0 0 "[ . 1]" 4 779 1 57 ARG HA 1 57 ARG HB2 2.417 . 3.147 2.939 2.815 3.017 . 0 0 "[ . 1]" 4 780 2 57 ARG HA 2 57 ARG HB2 2.417 . 3.147 2.940 2.817 3.017 . 0 0 "[ . 1]" 4 781 1 19 LEU QD 1 72 GLU HA 3.895 . 5.792 3.255 2.934 3.944 . 0 0 "[ . 1]" 4 782 2 19 LEU QD 2 72 GLU HA 3.895 . 5.792 3.255 2.933 3.944 . 0 0 "[ . 1]" 4 783 1 16 ASN HA 1 17 ALA MB 3.588 . 5.197 3.891 3.809 3.921 . 0 0 "[ . 1]" 4 784 2 16 ASN HA 2 17 ALA MB 3.588 . 5.197 3.890 3.809 3.921 . 0 0 "[ . 1]" 4 785 1 16 ASN HA 1 16 ASN QB 2.953 . 4.043 2.172 2.151 2.183 . 0 0 "[ . 1]" 4 786 2 16 ASN HA 2 16 ASN QB 2.953 . 4.043 2.172 2.151 2.184 . 0 0 "[ . 1]" 4 787 1 16 ASN HA 1 75 SER HA 3.049 . 4.211 3.673 3.506 3.841 . 0 0 "[ . 1]" 4 788 2 16 ASN HA 2 75 SER HA 3.049 . 4.211 3.673 3.507 3.843 . 0 0 "[ . 1]" 4 789 1 16 ASN HA 1 74 PRO HA 2.983 . 4.095 2.115 1.942 2.303 . 0 0 "[ . 1]" 4 790 2 16 ASN HA 2 74 PRO HA 2.983 . 4.095 2.115 1.943 2.302 . 0 0 "[ . 1]" 4 791 1 3 ASN HA 1 4 PRO QD 1.788 . 2.188 1.888 1.827 2.000 . 0 0 "[ . 1]" 4 792 2 3 ASN HA 2 4 PRO QD 1.788 . 2.188 1.888 1.827 2.001 . 0 0 "[ . 1]" 4 793 1 3 ASN HA 1 5 LEU H 3.998 . 5.996 3.979 3.740 4.366 . 0 0 "[ . 1]" 4 794 2 3 ASN HA 2 5 LEU H 3.998 . 5.996 3.979 3.742 4.366 . 0 0 "[ . 1]" 4 795 1 10 PHE QD 1 17 ALA HA 3.405 . 4.854 3.750 3.555 3.956 . 0 0 "[ . 1]" 4 796 2 10 PHE QD 2 17 ALA HA 3.405 . 4.854 3.751 3.556 3.955 . 0 0 "[ . 1]" 4 797 1 67 TYR QB 1 67 TYR QD 3.138 . 4.183 2.123 2.094 2.155 . 0 0 "[ . 1]" 4 798 2 67 TYR QB 2 67 TYR QD 3.138 . 4.183 2.123 2.094 2.154 . 0 0 "[ . 1]" 4 799 1 21 LEU HB2 1 71 PHE HE1 3.568 . 5.159 3.099 2.621 3.386 . 0 0 "[ . 1]" 4 800 2 21 LEU HB2 2 71 PHE HE1 3.568 . 5.159 3.099 2.622 3.388 . 0 0 "[ . 1]" 4 801 1 21 LEU H 1 21 LEU HB3 4.089 . 6.179 3.814 3.779 3.880 . 0 0 "[ . 1]" 4 802 2 21 LEU H 2 21 LEU HB3 4.089 . 6.179 3.814 3.779 3.880 . 0 0 "[ . 1]" 4 803 1 21 LEU HB3 1 71 PHE HE1 4.417 . 6.856 4.585 4.169 4.852 . 0 0 "[ . 1]" 4 804 2 21 LEU HB3 2 71 PHE HE1 4.417 . 6.856 4.585 4.171 4.852 . 0 0 "[ . 1]" 4 805 1 43 PHE HD2 1 81 LEU HA 4.472 . 6.972 3.288 3.143 3.358 . 0 0 "[ . 1]" 4 806 2 43 PHE HD2 2 81 LEU HA 4.472 . 6.972 3.288 3.144 3.357 . 0 0 "[ . 1]" 4 807 1 20 ASN H 1 95 ALA MB 3.631 . 5.279 4.347 4.188 4.486 . 0 0 "[ . 1]" 4 808 2 20 ASN H 2 95 ALA MB 3.631 . 5.279 4.347 4.187 4.485 . 0 0 "[ . 1]" 4 809 1 20 ASN HB3 1 95 ALA MB 2.677 . 3.573 2.598 1.710 2.987 0.071 2 0 "[ . 1]" 4 810 2 20 ASN HB3 2 95 ALA MB 2.677 . 3.573 2.598 1.709 2.986 0.072 2 0 "[ . 1]" 4 811 1 20 ASN HB2 1 95 ALA MB 2.511 . 3.299 1.854 1.683 2.418 0.040 7 0 "[ . 1]" 4 812 2 20 ASN HB2 2 95 ALA MB 2.511 . 3.299 1.854 1.682 2.416 0.041 7 0 "[ . 1]" 4 813 1 22 LEU HA 1 95 ALA MB 3.852 . 5.706 4.394 4.234 4.593 . 0 0 "[ . 1]" 4 814 2 22 LEU HA 2 95 ALA MB 3.852 . 5.706 4.394 4.236 4.592 . 0 0 "[ . 1]" 4 815 1 93 ARG HD3 1 93 ARG HG2 2.860 . 3.882 2.645 2.425 3.006 . 0 0 "[ . 1]" 4 816 2 93 ARG HD3 2 93 ARG HG2 2.860 . 3.882 2.644 2.425 3.006 . 0 0 "[ . 1]" 4 817 1 93 ARG HA 1 93 ARG HB2 2.575 . 3.404 2.451 2.418 2.484 . 0 0 "[ . 1]" 4 818 2 93 ARG HA 2 93 ARG HB2 2.575 . 3.404 2.451 2.417 2.484 . 0 0 "[ . 1]" 4 819 1 66 GLU HA 1 66 GLU HB3 2.240 . 2.867 2.459 2.255 2.832 . 0 0 "[ . 1]" 4 820 2 66 GLU HA 2 66 GLU HB3 2.240 . 2.867 2.460 2.257 2.834 . 0 0 "[ . 1]" 4 821 1 91 ASP H 1 91 ASP HB2 3.244 . 4.560 2.847 2.465 3.860 . 0 0 "[ . 1]" 4 822 2 91 ASP H 2 91 ASP HB2 3.244 . 4.560 2.847 2.464 3.860 . 0 0 "[ . 1]" 4 823 1 87 ARG H 1 87 ARG HG2 2.960 . 4.055 4.136 4.120 4.161 0.106 5 0 "[ . 1]" 4 824 2 87 ARG H 2 87 ARG HG2 2.960 . 4.055 4.137 4.122 4.161 0.106 5 0 "[ . 1]" 4 825 1 22 LEU HG 1 68 PHE QD 3.443 . 4.924 3.175 3.013 3.403 . 0 0 "[ . 1]" 4 826 2 22 LEU HG 2 68 PHE QD 3.443 . 4.924 3.175 3.012 3.403 . 0 0 "[ . 1]" 4 827 1 87 ARG HA 1 87 ARG HG3 2.341 . 3.026 2.609 2.524 2.677 . 0 0 "[ . 1]" 4 828 2 87 ARG HA 2 87 ARG HG3 2.341 . 3.026 2.609 2.525 2.678 . 0 0 "[ . 1]" 4 829 1 37 VAL HB 1 37 VAL QG 1.896 . 2.345 1.882 1.866 1.890 . 0 0 "[ . 1]" 4 830 2 37 VAL HB 2 37 VAL QG 1.896 . 2.345 1.881 1.866 1.891 . 0 0 "[ . 1]" 4 831 1 4 PRO HG3 1 5 LEU H 2.914 . 3.976 3.506 3.373 3.722 . 0 0 "[ . 1]" 4 832 2 4 PRO HG3 2 5 LEU H 2.914 . 3.976 3.506 3.371 3.723 . 0 0 "[ . 1]" 4 833 1 58 PRO HA 1 58 PRO HG3 2.711 . 3.630 3.939 3.525 4.096 0.466 10 0 "[ . 1]" 4 834 2 58 PRO HA 2 58 PRO HG3 2.711 . 3.630 3.939 3.525 4.096 0.466 10 0 "[ . 1]" 4 835 1 4 PRO HG2 1 5 LEU MD1 3.557 . 5.139 4.052 3.935 4.218 . 0 0 "[ . 1]" 4 836 2 4 PRO HG2 2 5 LEU MD1 3.557 . 5.139 4.052 3.934 4.216 . 0 0 "[ . 1]" 4 837 1 4 PRO QD 1 5 LEU HB2 3.872 . 5.746 4.285 4.214 4.383 . 0 0 "[ . 1]" 4 838 2 4 PRO QD 2 5 LEU HB2 3.872 . 5.746 4.284 4.213 4.384 . 0 0 "[ . 1]" 4 839 1 4 PRO HG2 1 5 LEU HB2 2.811 . 3.799 3.293 3.063 3.509 . 0 0 "[ . 1]" 4 840 2 4 PRO HG2 2 5 LEU HB2 2.811 . 3.799 3.292 3.063 3.509 . 0 0 "[ . 1]" 4 841 1 5 LEU HB2 1 5 LEU HG 2.030 . 2.545 2.553 2.536 2.584 0.039 7 0 "[ . 1]" 4 842 2 5 LEU HB2 2 5 LEU HG 2.030 . 2.545 2.553 2.535 2.585 0.040 7 0 "[ . 1]" 4 843 1 37 VAL QG 1 50 LEU HG 1.808 . 2.216 2.074 1.972 2.230 0.014 10 0 "[ . 1]" 4 844 2 37 VAL QG 2 50 LEU HG 1.808 . 2.216 2.074 1.972 2.230 0.014 10 0 "[ . 1]" 4 845 1 57 ARG HD3 1 57 ARG HG2 2.050 . 2.575 2.569 2.375 3.020 0.445 4 0 "[ . 1]" 4 846 2 57 ARG HD3 2 57 ARG HG2 2.050 . 2.575 2.569 2.374 3.019 0.444 4 0 "[ . 1]" 4 847 1 57 ARG HG2 1 58 PRO HD2 2.464 . 3.223 2.912 2.130 3.609 0.386 5 0 "[ . 1]" 4 848 2 57 ARG HG2 2 58 PRO HD2 2.464 . 3.223 2.911 2.129 3.609 0.386 5 0 "[ . 1]" 4 849 1 26 ARG HG3 1 27 GLY H 2.653 . 3.533 3.033 1.602 4.489 0.956 5 2 "[ -+ 1]" 4 850 2 26 ARG HG3 2 27 GLY H 2.653 . 3.533 3.031 1.601 4.488 0.955 5 2 "[ -+ 1]" 4 851 1 6 GLU HB3 1 7 ALA H 2.520 . 3.314 3.498 1.959 4.116 0.802 6 2 "[ -.+ 1]" 4 852 2 6 GLU HB3 2 7 ALA H 2.520 . 3.314 3.498 1.956 4.116 0.802 4 2 "[ +.- 1]" 4 853 1 9 VAL HA 1 10 PHE HA 3.737 . 5.483 4.586 4.463 4.674 . 0 0 "[ . 1]" 4 854 2 9 VAL HA 2 10 PHE HA 3.737 . 5.483 4.586 4.464 4.675 . 0 0 "[ . 1]" 4 855 1 73 VAL HA 1 73 VAL MG2 2.588 . 3.425 2.587 2.570 2.608 . 0 0 "[ . 1]" 4 856 2 73 VAL HA 2 73 VAL MG2 2.588 . 3.425 2.587 2.568 2.607 . 0 0 "[ . 1]" 4 857 1 46 LYS HA 1 46 LYS HE2 3.135 . 4.364 4.571 4.188 5.013 0.649 6 1 "[ .+ 1]" 4 858 2 46 LYS HA 2 46 LYS HE2 3.135 . 4.364 4.571 4.186 5.013 0.649 6 1 "[ .+ 1]" 4 859 1 9 VAL HB 1 10 PHE HA 3.296 . 4.654 4.347 4.174 4.579 . 0 0 "[ . 1]" 4 860 2 9 VAL HB 2 10 PHE HA 3.296 . 4.654 4.348 4.177 4.578 . 0 0 "[ . 1]" 4 861 1 10 PHE HA 1 11 GLU QB 3.175 . 4.435 4.062 3.875 4.165 . 0 0 "[ . 1]" 4 862 2 10 PHE HA 2 11 GLU QB 3.175 . 4.435 4.062 3.877 4.165 . 0 0 "[ . 1]" 4 863 1 11 GLU HG3 1 18 VAL H 3.368 . 4.786 3.628 2.723 5.109 0.323 2 0 "[ . 1]" 4 864 2 11 GLU HG3 2 18 VAL H 3.368 . 4.786 3.627 2.723 5.109 0.323 2 0 "[ . 1]" 4 865 1 12 GLU HA 1 13 ARG HA 3.943 . 5.886 4.376 4.327 4.616 . 0 0 "[ . 1]" 4 866 2 12 GLU HA 2 13 ARG HA 3.943 . 5.886 4.377 4.327 4.616 . 0 0 "[ . 1]" 4 867 1 12 GLU QG 1 17 ALA MB 3.150 . 4.074 2.264 1.832 2.956 0.078 2 0 "[ . 1]" 4 868 2 12 GLU QG 2 17 ALA MB 3.150 . 4.074 2.264 1.832 2.958 0.078 2 0 "[ . 1]" 4 869 1 12 GLU HB2 1 12 GLU QG 2.174 . 2.765 2.461 2.428 2.522 . 0 0 "[ . 1]" 4 870 2 12 GLU HB2 2 12 GLU QG 2.174 . 2.765 2.461 2.426 2.521 . 0 0 "[ . 1]" 4 871 1 11 GLU HA 1 12 GLU QG 3.095 . 4.292 3.440 3.118 3.658 . 0 0 "[ . 1]" 4 872 2 11 GLU HA 2 12 GLU QG 3.095 . 4.292 3.440 3.118 3.660 . 0 0 "[ . 1]" 4 873 1 12 GLU QG 1 17 ALA H 4.634 . 7.318 4.226 3.474 5.009 . 0 0 "[ . 1]" 4 874 2 12 GLU QG 2 17 ALA H 4.634 . 7.318 4.226 3.476 5.010 . 0 0 "[ . 1]" 4 875 1 13 ARG HA 1 13 ARG HD2 3.088 . 4.280 4.497 4.389 4.532 0.252 10 0 "[ . 1]" 4 876 2 13 ARG HA 2 13 ARG HD2 3.088 . 4.280 4.497 4.389 4.530 0.250 10 0 "[ . 1]" 4 877 1 13 ARG HA 1 13 ARG HG2 2.554 . 3.370 3.145 2.961 3.367 . 0 0 "[ . 1]" 4 878 2 13 ARG HA 2 13 ARG HG2 2.554 . 3.370 3.145 2.959 3.366 . 0 0 "[ . 1]" 4 879 1 13 ARG HA 1 13 ARG HB2 2.472 . 3.236 2.278 2.230 2.331 . 0 0 "[ . 1]" 4 880 2 13 ARG HA 2 13 ARG HB2 2.472 . 3.236 2.278 2.231 2.330 . 0 0 "[ . 1]" 4 881 1 12 GLU HA 1 13 ARG HB3 4.188 . 6.381 3.836 3.575 3.976 . 0 0 "[ . 1]" 4 882 2 12 GLU HA 2 13 ARG HB3 4.188 . 6.381 3.835 3.573 3.974 . 0 0 "[ . 1]" 4 883 1 12 GLU HA 1 13 ARG HB2 4.792 . 7.663 4.511 4.247 4.719 . 0 0 "[ . 1]" 4 884 2 12 GLU HA 2 13 ARG HB2 4.792 . 7.663 4.511 4.246 4.720 . 0 0 "[ . 1]" 4 885 1 13 ARG HB3 1 13 ARG HG2 2.116 . 2.676 2.622 2.527 2.684 0.008 10 0 "[ . 1]" 4 886 2 13 ARG HB3 2 13 ARG HG2 2.116 . 2.676 2.622 2.526 2.683 0.007 10 0 "[ . 1]" 4 887 1 13 ARG HB2 1 13 ARG HG2 2.251 . 2.884 2.951 2.928 2.983 0.099 7 0 "[ . 1]" 4 888 2 13 ARG HB2 2 13 ARG HG2 2.251 . 2.884 2.951 2.927 2.982 0.098 7 0 "[ . 1]" 4 889 1 13 ARG HB3 1 18 VAL MG2 2.488 . 3.262 2.078 1.685 2.284 0.029 8 0 "[ . 1]" 4 890 2 13 ARG HB3 2 18 VAL MG2 2.488 . 3.262 2.078 1.685 2.284 0.029 8 0 "[ . 1]" 4 891 1 13 ARG HD2 1 13 ARG HG2 2.325 . 3.001 2.940 2.876 2.970 . 0 0 "[ . 1]" 4 892 2 13 ARG HD2 2 13 ARG HG2 2.325 . 3.001 2.941 2.877 2.970 . 0 0 "[ . 1]" 4 893 1 13 ARG HD2 1 18 VAL MG2 2.147 . 2.723 1.735 1.600 1.869 . 0 0 "[ . 1]" 4 894 2 13 ARG HD2 2 18 VAL MG2 2.147 . 2.723 1.734 1.601 1.868 . 0 0 "[ . 1]" 4 895 1 14 ASP HA 1 16 ASN H 3.424 . 4.889 4.791 4.681 4.877 . 0 0 "[ . 1]" 4 896 2 14 ASP HA 2 16 ASN H 3.424 . 4.889 4.791 4.680 4.877 . 0 0 "[ . 1]" 4 897 1 59 LEU HA 1 59 LEU HB3 2.099 . 2.650 2.587 2.232 2.681 0.031 1 0 "[ . 1]" 4 898 2 59 LEU HA 2 59 LEU HB3 2.099 . 2.650 2.587 2.233 2.682 0.032 1 0 "[ . 1]" 4 899 1 14 ASP QB 1 16 ASN HD21 4.447 . 6.919 4.613 2.921 5.392 . 0 0 "[ . 1]" 4 900 2 14 ASP QB 2 16 ASN HD21 4.447 . 6.919 4.613 2.922 5.392 . 0 0 "[ . 1]" 4 901 1 13 ARG HB2 1 14 ASP QB 4.163 . 6.330 4.784 4.643 4.936 . 0 0 "[ . 1]" 4 902 2 13 ARG HB2 2 14 ASP QB 4.163 . 6.330 4.784 4.643 4.936 . 0 0 "[ . 1]" 4 903 1 16 ASN HA 1 74 PRO HB2 3.970 . 5.940 4.904 4.759 5.040 . 0 0 "[ . 1]" 4 904 2 16 ASN HA 2 74 PRO HB2 3.970 . 5.940 4.904 4.757 5.039 . 0 0 "[ . 1]" 4 905 1 11 GLU H 1 17 ALA MB 3.548 . 5.121 3.758 3.491 4.528 . 0 0 "[ . 1]" 4 906 2 11 GLU H 2 17 ALA MB 3.548 . 5.121 3.759 3.492 4.528 . 0 0 "[ . 1]" 4 907 1 18 VAL HB 1 19 LEU H 3.640 . 5.297 4.142 4.046 4.182 . 0 0 "[ . 1]" 4 908 2 18 VAL HB 2 19 LEU H 3.640 . 5.297 4.143 4.048 4.181 . 0 0 "[ . 1]" 4 909 1 18 VAL HA 1 18 VAL HB 2.658 . 3.541 3.019 3.010 3.022 . 0 0 "[ . 1]" 4 910 2 18 VAL HA 2 18 VAL HB 2.658 . 3.541 3.020 3.010 3.023 . 0 0 "[ . 1]" 4 911 1 19 LEU QD 1 95 ALA H 4.090 . 6.181 5.347 5.144 5.492 . 0 0 "[ . 1]" 4 912 2 19 LEU QD 2 95 ALA H 4.090 . 6.181 5.347 5.143 5.492 . 0 0 "[ . 1]" 4 913 1 20 ASN H 1 20 ASN HB2 4.189 . 6.383 3.390 2.584 3.738 . 0 0 "[ . 1]" 4 914 2 20 ASN H 2 20 ASN HB2 4.189 . 6.383 3.390 2.585 3.737 . 0 0 "[ . 1]" 4 915 1 21 LEU MD2 1 21 LEU HG 2.221 . 2.838 2.091 2.084 2.100 . 0 0 "[ . 1]" 4 916 2 21 LEU MD2 2 21 LEU HG 2.221 . 2.838 2.091 2.083 2.100 . 0 0 "[ . 1]" 4 917 1 21 LEU HG 1 71 PHE HE1 3.023 . 4.165 3.542 3.347 3.826 . 0 0 "[ . 1]" 4 918 2 21 LEU HG 2 71 PHE HE1 3.023 . 4.165 3.542 3.348 3.829 . 0 0 "[ . 1]" 4 919 1 22 LEU H 1 22 LEU HB2 3.504 . 5.039 2.616 2.498 2.729 . 0 0 "[ . 1]" 4 920 2 22 LEU H 2 22 LEU HB2 3.504 . 5.039 2.615 2.498 2.729 . 0 0 "[ . 1]" 4 921 1 22 LEU H 1 22 LEU HB3 3.354 . 4.760 3.713 3.670 3.759 . 0 0 "[ . 1]" 4 922 2 22 LEU H 2 22 LEU HB3 3.354 . 4.760 3.711 3.671 3.757 . 0 0 "[ . 1]" 4 923 1 5 LEU HA 1 5 LEU HG 2.621 . 3.479 3.593 3.571 3.608 0.129 9 0 "[ . 1]" 4 924 2 5 LEU HA 2 5 LEU HG 2.621 . 3.479 3.593 3.572 3.607 0.128 9 0 "[ . 1]" 4 925 1 22 LEU HG 1 69 VAL H 3.240 . 4.552 3.583 3.382 3.740 . 0 0 "[ . 1]" 4 926 2 22 LEU HG 2 69 VAL H 3.240 . 4.552 3.582 3.381 3.738 . 0 0 "[ . 1]" 4 927 1 22 LEU HA 1 22 LEU QD 2.528 . 3.327 2.632 2.592 2.720 . 0 0 "[ . 1]" 4 928 2 22 LEU HA 2 22 LEU QD 2.528 . 3.327 2.634 2.590 2.721 . 0 0 "[ . 1]" 4 929 1 23 PHE HA 1 23 PHE QD 3.281 . 4.626 2.381 1.774 3.133 0.162 10 0 "[ . 1]" 4 930 2 23 PHE HA 2 23 PHE QD 3.281 . 4.626 2.382 1.775 3.133 0.161 10 0 "[ . 1]" 4 931 1 23 PHE HB2 1 23 PHE QD 3.686 . 5.384 2.681 2.396 2.764 . 0 0 "[ . 1]" 4 932 2 23 PHE HB2 2 23 PHE QD 3.686 . 5.384 2.682 2.398 2.763 . 0 0 "[ . 1]" 4 933 1 23 PHE HB3 1 23 PHE QD 3.745 . 5.498 2.341 2.241 2.542 . 0 0 "[ . 1]" 4 934 2 23 PHE HB3 2 23 PHE QD 3.745 . 5.498 2.341 2.240 2.541 . 0 0 "[ . 1]" 4 935 1 23 PHE HB3 1 92 VAL MG2 3.751 . 5.509 3.316 2.548 3.578 . 0 0 "[ . 1]" 4 936 2 23 PHE HB3 2 92 VAL MG2 3.751 . 5.509 3.317 2.547 3.579 . 0 0 "[ . 1]" 4 937 1 24 SER HA 1 66 GLU HA 3.471 . 4.977 3.431 2.518 4.553 . 0 0 "[ . 1]" 4 938 2 24 SER HA 2 66 GLU HA 3.471 . 4.977 3.431 2.517 4.552 . 0 0 "[ . 1]" 4 939 1 24 SER HA 1 25 LEU MD1 2.970 . 4.073 3.354 2.391 3.914 . 0 0 "[ . 1]" 4 940 2 24 SER HA 2 25 LEU MD1 2.970 . 4.073 3.355 2.391 3.915 . 0 0 "[ . 1]" 4 941 1 85 VAL HB 1 86 ARG H 2.757 . 3.707 3.163 3.058 3.255 . 0 0 "[ . 1]" 4 942 2 85 VAL HB 2 86 ARG H 2.757 . 3.707 3.163 3.058 3.256 . 0 0 "[ . 1]" 4 943 1 50 LEU HA 1 50 LEU HG 2.885 . 3.926 3.884 3.851 3.907 . 0 0 "[ . 1]" 4 944 2 50 LEU HA 2 50 LEU HG 2.885 . 3.926 3.884 3.849 3.906 . 0 0 "[ . 1]" 4 945 1 67 TYR HA 1 69 VAL MG2 3.327 . 4.711 4.314 3.975 4.480 . 0 0 "[ . 1]" 4 946 2 67 TYR HA 2 69 VAL MG2 3.327 . 4.711 4.315 3.977 4.481 . 0 0 "[ . 1]" 4 947 1 31 SER HA 1 33 LEU HG 3.425 . 4.891 3.566 2.586 4.946 0.055 2 0 "[ . 1]" 4 948 2 31 SER HA 2 33 LEU HG 3.425 . 4.891 3.566 2.586 4.950 0.059 2 0 "[ . 1]" 4 949 1 83 SER HB2 1 85 VAL H 3.917 . 5.835 5.630 5.588 5.686 . 0 0 "[ . 1]" 4 950 2 83 SER HB2 2 85 VAL H 3.917 . 5.835 5.629 5.588 5.686 . 0 0 "[ . 1]" 4 951 1 82 LEU H 1 82 LEU HB3 2.994 . 4.115 3.442 3.430 3.456 . 0 0 "[ . 1]" 4 952 2 82 LEU H 2 82 LEU HB3 2.994 . 4.115 3.442 3.428 3.455 . 0 0 "[ . 1]" 4 953 1 33 LEU H 1 33 LEU QD 3.087 . 4.278 3.355 2.848 3.706 . 0 0 "[ . 1]" 4 954 2 33 LEU H 2 33 LEU QD 3.087 . 4.278 3.350 2.847 3.691 . 0 0 "[ . 1]" 4 955 1 34 SER HA 1 35 ARG H 3.719 . 5.448 3.518 3.421 3.560 . 0 0 "[ . 1]" 4 956 2 34 SER HA 2 35 ARG H 3.719 . 5.448 3.518 3.420 3.559 . 0 0 "[ . 1]" 4 957 1 33 LEU QD 1 34 SER HA 3.968 . 5.937 5.002 4.530 5.158 . 0 0 "[ . 1]" 4 958 2 33 LEU QD 2 34 SER HA 3.968 . 5.937 5.001 4.531 5.158 . 0 0 "[ . 1]" 4 959 1 33 LEU HB3 1 34 SER HA 3.953 . 5.907 4.438 4.157 4.736 . 0 0 "[ . 1]" 4 960 2 33 LEU HB3 2 34 SER HA 3.953 . 5.907 4.438 4.155 4.736 . 0 0 "[ . 1]" 4 961 1 35 ARG HA 1 39 VAL H 3.837 . 5.677 5.234 4.991 5.674 . 0 0 "[ . 1]" 4 962 2 35 ARG HA 2 39 VAL H 3.837 . 5.677 5.235 4.992 5.673 . 0 0 "[ . 1]" 4 963 1 35 ARG H 1 36 ALA HA 3.790 . 5.585 5.223 4.939 5.425 . 0 0 "[ . 1]" 4 964 2 35 ARG H 2 36 ALA HA 3.790 . 5.585 5.225 4.940 5.429 . 0 0 "[ . 1]" 4 965 1 46 LYS HA 1 46 LYS QG 2.696 . 3.604 3.047 2.657 3.141 . 0 0 "[ . 1]" 4 966 2 46 LYS HA 2 46 LYS QG 2.696 . 3.604 3.046 2.657 3.140 . 0 0 "[ . 1]" 4 967 1 35 ARG HA 1 38 LYS QG 3.500 . 5.032 2.018 1.573 4.186 0.395 9 0 "[ . 1]" 4 968 2 35 ARG HA 2 38 LYS QG 3.500 . 5.032 2.018 1.574 4.185 0.394 9 0 "[ . 1]" 4 969 1 38 LYS HA 1 38 LYS QG 3.005 . 4.134 2.808 2.264 2.943 . 0 0 "[ . 1]" 4 970 2 38 LYS HA 2 38 LYS QG 3.005 . 4.134 2.807 2.264 2.942 . 0 0 "[ . 1]" 4 971 1 37 VAL QG 1 38 LYS QG 2.570 . 3.395 2.959 2.346 3.271 . 0 0 "[ . 1]" 4 972 2 37 VAL QG 2 38 LYS QG 2.570 . 3.395 2.962 2.341 3.272 . 0 0 "[ . 1]" 4 973 1 38 LYS HB2 1 38 LYS QG 2.222 . 2.839 2.181 2.134 2.523 . 0 0 "[ . 1]" 4 974 2 38 LYS HB2 2 38 LYS QG 2.222 . 2.839 2.182 2.134 2.524 . 0 0 "[ . 1]" 4 975 1 46 LYS HA 1 46 LYS QD 2.707 . 3.623 2.091 1.991 2.536 . 0 0 "[ . 1]" 4 976 2 46 LYS HA 2 46 LYS QD 2.707 . 3.623 2.091 1.991 2.536 . 0 0 "[ . 1]" 4 977 1 38 LYS HD3 1 38 LYS QE 1.952 . 2.428 2.426 2.269 2.495 0.067 3 0 "[ . 1]" 4 978 2 38 LYS HD3 2 38 LYS QE 1.952 . 2.428 2.425 2.268 2.495 0.067 3 0 "[ . 1]" 4 979 1 46 LYS QD 1 46 LYS QG 2.314 . 2.983 2.072 2.023 2.090 . 0 0 "[ . 1]" 4 980 2 46 LYS QD 2 46 LYS QG 2.314 . 2.983 2.072 2.023 2.090 . 0 0 "[ . 1]" 4 981 1 38 LYS H 1 39 VAL MG1 3.581 . 5.184 5.648 5.607 5.735 0.551 10 2 "[ . - +]" 4 982 2 38 LYS H 2 39 VAL MG1 3.581 . 5.184 5.649 5.608 5.734 0.550 10 2 "[ . - +]" 4 983 1 17 ALA H 1 75 SER HB2 4.237 . 6.481 5.113 4.128 5.554 . 0 0 "[ . 1]" 4 984 2 17 ALA H 2 75 SER HB2 4.237 . 6.481 5.113 4.130 5.555 . 0 0 "[ . 1]" 4 985 1 75 SER HB2 1 76 GLY H 3.985 . 5.970 3.932 2.922 4.175 . 0 0 "[ . 1]" 4 986 2 75 SER HB2 2 76 GLY H 3.985 . 5.970 3.932 2.926 4.174 . 0 0 "[ . 1]" 4 987 1 40 PHE HA 1 40 PHE HD1 3.358 . 4.767 2.785 2.732 2.839 . 0 0 "[ . 1]" 4 988 2 40 PHE HA 2 40 PHE HD1 3.358 . 4.767 2.785 2.732 2.839 . 0 0 "[ . 1]" 4 989 1 40 PHE HB3 1 40 PHE HD2 3.643 . 5.302 3.404 3.385 3.451 . 0 0 "[ . 1]" 4 990 2 40 PHE HB3 2 40 PHE HD2 3.643 . 5.302 3.404 3.385 3.452 . 0 0 "[ . 1]" 4 991 1 43 PHE HA 1 80 ALA MB 6.396 . 11.510 5.490 5.376 5.542 . 0 0 "[ . 1]" 4 992 2 43 PHE HA 2 80 ALA MB 6.396 . 11.510 5.491 5.377 5.541 . 0 0 "[ . 1]" 4 993 1 43 PHE HA 1 81 LEU MD2 3.602 . 5.224 4.042 4.009 4.067 . 0 0 "[ . 1]" 4 994 2 43 PHE HA 2 81 LEU MD2 3.602 . 5.224 4.042 4.009 4.068 . 0 0 "[ . 1]" 4 995 1 42 THR MG 1 43 PHE HA 3.782 . 5.570 3.359 3.296 3.440 . 0 0 "[ . 1]" 4 996 2 42 THR MG 2 43 PHE HA 3.782 . 5.570 3.359 3.294 3.442 . 0 0 "[ . 1]" 4 997 1 44 GLU HA 1 45 ALA MB 3.756 . 5.519 4.498 4.480 4.515 . 0 0 "[ . 1]" 4 998 2 44 GLU HA 2 45 ALA MB 3.756 . 5.519 4.497 4.481 4.515 . 0 0 "[ . 1]" 4 999 1 44 GLU H 1 44 GLU HB2 3.705 . 5.421 3.521 3.368 3.643 . 0 0 "[ . 1]" 4 1000 2 44 GLU H 2 44 GLU HB2 3.705 . 5.421 3.521 3.369 3.644 . 0 0 "[ . 1]" 4 1001 1 44 GLU H 1 44 GLU HB3 3.423 . 4.887 3.976 3.909 4.050 . 0 0 "[ . 1]" 4 1002 2 44 GLU H 2 44 GLU HB3 3.423 . 4.887 3.976 3.908 4.049 . 0 0 "[ . 1]" 4 1003 1 59 LEU HA 1 59 LEU MD1 2.136 . 2.706 2.653 2.398 3.394 0.688 4 1 "[ +. 1]" 4 1004 2 59 LEU HA 2 59 LEU MD1 2.136 . 2.706 2.653 2.399 3.393 0.687 4 1 "[ +. 1]" 4 1005 1 46 LYS HE3 1 46 LYS QG 2.469 . 2.791 2.399 2.302 2.761 . 0 0 "[ . 1]" 4 1006 2 46 LYS HE3 2 46 LYS QG 2.469 . 2.791 2.399 2.301 2.760 . 0 0 "[ . 1]" 4 1007 1 47 ILE HA 1 48 HIS H 3.648 . 5.311 2.133 2.117 2.159 . 0 0 "[ . 1]" 4 1008 2 47 ILE HA 2 48 HIS H 3.648 . 5.311 2.133 2.116 2.160 . 0 0 "[ . 1]" 4 1009 1 47 ILE HA 1 71 PHE HB3 3.507 . 5.044 2.762 2.604 2.920 . 0 0 "[ . 1]" 4 1010 2 47 ILE HA 2 71 PHE HB3 3.507 . 5.044 2.762 2.603 2.919 . 0 0 "[ . 1]" 4 1011 1 46 LYS HA 1 47 ILE HB 3.438 . 4.916 4.998 4.986 5.016 0.100 2 0 "[ . 1]" 4 1012 2 46 LYS HA 2 47 ILE HB 3.438 . 4.916 4.998 4.984 5.016 0.100 2 0 "[ . 1]" 4 1013 1 82 LEU MD2 1 82 LEU HG 2.450 . 3.200 2.126 2.125 2.128 . 0 0 "[ . 1]" 4 1014 2 82 LEU MD2 2 82 LEU HG 2.450 . 3.200 2.126 2.125 2.128 . 0 0 "[ . 1]" 4 1015 1 47 ILE MD 1 47 ILE MG 2.193 . 2.794 2.084 2.026 2.140 . 0 0 "[ . 1]" 4 1016 2 47 ILE MD 2 47 ILE MG 2.193 . 2.794 2.084 2.025 2.138 . 0 0 "[ . 1]" 4 1017 1 48 HIS H 1 48 HIS QB 4.497 . 7.025 2.169 2.091 2.250 . 0 0 "[ . 1]" 4 1018 2 48 HIS H 2 48 HIS QB 4.497 . 7.025 2.170 2.092 2.250 . 0 0 "[ . 1]" 4 1019 1 48 HIS HA 1 48 HIS QB 2.862 . 3.886 2.371 2.183 2.455 . 0 0 "[ . 1]" 4 1020 2 48 HIS HA 2 48 HIS QB 2.862 . 3.886 2.371 2.184 2.455 . 0 0 "[ . 1]" 4 1021 1 48 HIS QB 1 70 ARG QB 4.382 . 6.783 2.161 1.875 2.681 0.106 3 0 "[ . 1]" 4 1022 2 48 HIS QB 2 70 ARG QB 4.382 . 6.783 2.161 1.875 2.681 0.106 3 0 "[ . 1]" 4 1023 1 49 HIS H 1 49 HIS HB3 3.755 . 5.518 3.214 3.005 3.884 . 0 0 "[ . 1]" 4 1024 2 49 HIS H 2 49 HIS HB3 3.755 . 5.518 3.214 3.005 3.885 . 0 0 "[ . 1]" 4 1025 1 49 HIS HB2 1 50 LEU H 4.674 . 7.405 4.537 4.476 4.600 . 0 0 "[ . 1]" 4 1026 2 49 HIS HB2 2 50 LEU H 4.674 . 7.405 4.536 4.477 4.600 . 0 0 "[ . 1]" 4 1027 1 49 HIS HB3 1 70 ARG QB 3.456 . 4.949 3.134 2.343 4.136 . 0 0 "[ . 1]" 4 1028 2 49 HIS HB3 2 70 ARG QB 3.456 . 4.949 3.134 2.343 4.136 . 0 0 "[ . 1]" 4 1029 1 49 HIS HB2 1 70 ARG QB 4.119 . 6.240 3.716 2.659 4.986 . 0 0 "[ . 1]" 4 1030 2 49 HIS HB2 2 70 ARG QB 4.119 . 6.240 3.716 2.659 4.987 . 0 0 "[ . 1]" 4 1031 1 21 LEU H 1 22 LEU HB3 4.168 . 6.340 6.432 6.328 6.516 0.176 10 0 "[ . 1]" 4 1032 2 21 LEU H 2 22 LEU HB3 4.168 . 6.340 6.429 6.327 6.491 0.151 10 0 "[ . 1]" 4 1033 1 50 LEU MD1 1 51 GLU HA 2.882 . 3.920 2.723 2.615 2.841 . 0 0 "[ . 1]" 4 1034 2 50 LEU MD1 2 51 GLU HA 2.882 . 3.920 2.723 2.612 2.842 . 0 0 "[ . 1]" 4 stop_ save_ save_distance_constraint_statistics_5 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 5 _Distance_constraint_stats_list.Constraint_count 2 _Distance_constraint_stats_list.Viol_count 0 _Distance_constraint_stats_list.Viol_total 0.000 _Distance_constraint_stats_list.Viol_max 0.000 _Distance_constraint_stats_list.Viol_rms 0.0000 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0000 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 50 LEU 0.000 0.000 . 0 "[ . 1]" 2 50 LEU 0.000 0.000 . 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 50 LEU HA 1 50 LEU MD1 2.630 . 3.495 3.397 3.353 3.454 . 0 0 "[ . 1]" 5 2 2 50 LEU HA 2 50 LEU MD1 2.630 . 3.495 3.397 3.353 3.453 . 0 0 "[ . 1]" 5 stop_ save_
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