NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
482671 | 1rqu | 4429 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rqu 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 640 _Distance_constraint_stats_list.Viol_count 85 _Distance_constraint_stats_list.Viol_total 7.638 _Distance_constraint_stats_list.Viol_max 1.013 _Distance_constraint_stats_list.Viol_rms 0.0600 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0119 _Distance_constraint_stats_list.Viol_average_violations_only 0.0899 _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 1 SER 0.177 0.106 1 0 "[ ]" 1 2 ILE 0.174 0.071 1 0 "[ ]" 1 3 THR 0.157 0.095 1 0 "[ ]" 1 4 LYS 0.218 0.113 1 0 "[ ]" 1 5 ASP 0.400 0.113 1 0 "[ ]" 1 6 GLN 0.042 0.024 1 0 "[ ]" 1 7 ILE 1.245 0.807 1 1 [+] 1 8 ILE 0.000 0.000 . 0 "[ ]" 1 9 GLU 0.051 0.051 1 0 "[ ]" 1 10 ALA 0.965 0.807 1 1 [+] 1 11 VAL 0.579 0.353 1 0 "[ ]" 1 12 ALA 0.000 0.000 . 0 "[ ]" 1 13 ALA 0.012 0.012 1 0 "[ ]" 1 14 MET 0.061 0.027 1 0 "[ ]" 1 15 SER 0.159 0.088 1 0 "[ ]" 1 16 VAL 0.031 0.031 1 0 "[ ]" 1 17 MET 0.087 0.087 1 0 "[ ]" 1 18 ASP 0.087 0.087 1 0 "[ ]" 1 19 VAL 0.000 0.000 . 0 "[ ]" 1 20 VAL 0.000 0.000 . 0 "[ ]" 1 21 GLU 0.137 0.092 1 0 "[ ]" 1 22 LEU 0.326 0.099 1 0 "[ ]" 1 23 ILE 0.188 0.099 1 0 "[ ]" 1 24 SER 0.150 0.088 1 0 "[ ]" 1 25 ALA 0.165 0.088 1 0 "[ ]" 1 26 MET 0.337 0.116 1 0 "[ ]" 1 27 GLU 0.181 0.116 1 0 "[ ]" 1 28 GLU 0.041 0.027 1 0 "[ ]" 1 29 LYS 0.060 0.060 1 0 "[ ]" 1 30 PHE 0.173 0.107 1 0 "[ ]" 1 31 GLY 0.006 0.006 1 0 "[ ]" 1 32 VAL 0.000 0.000 . 0 "[ ]" 1 33 SER 0.000 0.000 . 0 "[ ]" 1 34 ALA 0.000 0.000 . 0 "[ ]" 1 35 ALA 0.403 0.403 1 0 "[ ]" 1 36 ALA 1.564 1.013 1 1 [+] 1 37 ALA 1.013 1.013 1 1 [+] 2 1 SER 0.084 0.084 1 0 "[ ]" 2 2 ILE 0.076 0.076 1 0 "[ ]" 2 3 THR 0.168 0.096 1 0 "[ ]" 2 4 LYS 0.273 0.118 1 0 "[ ]" 2 5 ASP 0.391 0.118 1 0 "[ ]" 2 6 GLN 0.016 0.016 1 0 "[ ]" 2 7 ILE 0.016 0.016 1 0 "[ ]" 2 8 ILE 0.066 0.066 1 0 "[ ]" 2 9 GLU 0.049 0.049 1 0 "[ ]" 2 10 ALA 0.162 0.103 1 0 "[ ]" 2 11 VAL 0.279 0.115 1 0 "[ ]" 2 12 ALA 0.000 0.000 . 0 "[ ]" 2 13 ALA 0.021 0.021 1 0 "[ ]" 2 14 MET 0.159 0.052 1 0 "[ ]" 2 15 SER 0.170 0.086 1 0 "[ ]" 2 16 VAL 0.000 0.000 . 0 "[ ]" 2 17 MET 0.139 0.090 1 0 "[ ]" 2 18 ASP 0.090 0.090 1 0 "[ ]" 2 19 VAL 0.073 0.073 1 0 "[ ]" 2 20 VAL 0.043 0.043 1 0 "[ ]" 2 21 GLU 0.123 0.091 1 0 "[ ]" 2 22 LEU 0.234 0.105 1 0 "[ ]" 2 23 ILE 0.345 0.121 1 0 "[ ]" 2 24 SER 0.166 0.084 1 0 "[ ]" 2 25 ALA 0.221 0.088 1 0 "[ ]" 2 26 MET 0.353 0.120 1 0 "[ ]" 2 27 GLU 0.249 0.120 1 0 "[ ]" 2 28 GLU 0.129 0.088 1 0 "[ ]" 2 29 LYS 0.059 0.059 1 0 "[ ]" 2 30 PHE 0.189 0.116 1 0 "[ ]" 2 31 GLY 0.001 0.001 1 0 "[ ]" 2 32 VAL 0.000 0.000 . 0 "[ ]" 2 33 SER 0.000 0.000 . 0 "[ ]" 2 34 ALA 0.000 0.000 . 0 "[ ]" 2 35 ALA 0.062 0.062 1 0 "[ ]" 2 36 ALA 0.026 0.026 1 0 "[ ]" 2 37 ALA 0.026 0.026 1 0 "[ ]" 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 1 SER H1 1 1 SER HA . . 2.800 2.906 2.906 2.906 0.106 1 0 "[ ]" 1 2 1 1 SER H1 1 1 SER QB . . 3.710 2.633 2.633 2.633 . 0 0 "[ ]" 1 3 1 1 SER H1 1 2 ILE H . . 3.240 3.311 3.311 3.311 0.071 1 0 "[ ]" 1 4 1 1 SER HA 1 2 ILE H . . 2.620 2.479 2.479 2.479 . 0 0 "[ ]" 1 5 1 2 ILE H 1 2 ILE HB . . 2.740 2.581 2.581 2.581 . 0 0 "[ ]" 1 6 1 2 ILE H 1 2 ILE HG12 . . 3.330 3.371 3.371 3.371 0.041 1 0 "[ ]" 1 7 1 2 ILE H 1 2 ILE HG13 . . 3.330 2.211 2.211 2.211 . 0 0 "[ ]" 1 8 1 2 ILE H 1 2 ILE QG . . 3.040 2.183 2.183 2.183 . 0 0 "[ ]" 1 9 1 2 ILE H 1 2 ILE MD . . 5.660 3.707 3.707 3.707 . 0 0 "[ ]" 1 10 1 2 ILE H 1 3 THR H . . 3.390 3.432 3.432 3.432 0.042 1 0 "[ ]" 1 11 1 2 ILE HA 1 3 THR H . . 2.590 2.610 2.610 2.610 0.020 1 0 "[ ]" 1 12 1 2 ILE HB 1 3 THR H . . 4.630 4.470 4.470 4.470 . 0 0 "[ ]" 1 13 1 2 ILE MG 1 3 THR H . . 4.920 4.011 4.011 4.011 . 0 0 "[ ]" 1 14 1 3 THR H 1 3 THR HA . . 2.930 2.870 2.870 2.870 . 0 0 "[ ]" 1 15 1 3 THR H 1 3 THR MG . . 4.080 2.129 2.129 2.129 . 0 0 "[ ]" 1 16 1 3 THR H 1 6 GLN QB . . 4.760 3.165 3.165 3.165 . 0 0 "[ ]" 1 17 1 3 THR H 1 6 GLN QG . . 4.450 2.469 2.469 2.469 . 0 0 "[ ]" 1 18 1 3 THR HA 1 4 LYS H . . 2.710 2.497 2.497 2.497 . 0 0 "[ ]" 1 19 1 3 THR HA 1 5 ASP H . . 4.320 4.415 4.415 4.415 0.095 1 0 "[ ]" 1 20 1 3 THR HB 1 4 LYS H . . 2.710 2.461 2.461 2.461 . 0 0 "[ ]" 1 21 1 3 THR HB 1 5 ASP H . . 2.930 2.870 2.870 2.870 . 0 0 "[ ]" 1 22 1 3 THR MG 1 4 LYS H . . 6.280 3.808 3.808 3.808 . 0 0 "[ ]" 1 23 1 3 THR MG 1 5 ASP H . . 6.530 4.486 4.486 4.486 . 0 0 "[ ]" 1 24 1 4 LYS H 1 4 LYS HB2 . . 2.930 2.121 2.121 2.121 . 0 0 "[ ]" 1 25 1 4 LYS H 1 4 LYS HB3 . . 3.420 3.413 3.413 3.413 . 0 0 "[ ]" 1 26 1 4 LYS H 1 5 ASP H . . 3.390 2.457 2.457 2.457 . 0 0 "[ ]" 1 27 1 4 LYS H 2 14 MET ME . . 6.160 4.591 4.591 4.591 . 0 0 "[ ]" 1 28 1 4 LYS HA 1 7 ILE H . . 4.010 3.285 3.285 3.285 . 0 0 "[ ]" 1 29 1 4 LYS HB2 1 5 ASP H . . 3.270 2.981 2.981 2.981 . 0 0 "[ ]" 1 30 1 4 LYS HB3 1 5 ASP H . . 3.300 3.413 3.413 3.413 0.113 1 0 "[ ]" 1 31 1 4 LYS HB3 2 22 LEU H . . 4.600 4.705 4.705 4.705 0.105 1 0 "[ ]" 1 32 1 4 LYS QG 1 5 ASP H . . 6.380 4.517 4.517 4.517 . 0 0 "[ ]" 1 33 1 4 LYS QD 1 5 ASP H . . 6.380 5.109 5.109 5.109 . 0 0 "[ ]" 1 34 1 4 LYS QD 2 22 LEU H . . 6.380 3.932 3.932 3.932 . 0 0 "[ ]" 1 35 1 5 ASP H 1 5 ASP HA . . 2.900 2.720 2.720 2.720 . 0 0 "[ ]" 1 36 1 5 ASP H 1 5 ASP HB2 . . 2.680 2.253 2.253 2.253 . 0 0 "[ ]" 1 37 1 5 ASP H 1 5 ASP HB3 . . 3.390 3.502 3.502 3.502 0.112 1 0 "[ ]" 1 38 1 5 ASP H 1 6 GLN H . . 2.740 2.758 2.758 2.758 0.018 1 0 "[ ]" 1 39 1 5 ASP HA 1 7 ILE H . . 4.010 4.072 4.072 4.072 0.062 1 0 "[ ]" 1 40 1 5 ASP HA 1 8 ILE H . . 3.980 3.285 3.285 3.285 . 0 0 "[ ]" 1 41 1 5 ASP HB2 1 6 GLN H . . 3.950 2.637 2.637 2.637 . 0 0 "[ ]" 1 42 1 5 ASP HB3 1 6 GLN H . . 4.450 3.348 3.348 3.348 . 0 0 "[ ]" 1 43 1 6 GLN H 1 6 GLN QG . . 3.960 2.748 2.748 2.748 . 0 0 "[ ]" 1 44 1 6 GLN H 1 7 ILE H . . 3.080 2.662 2.662 2.662 . 0 0 "[ ]" 1 45 1 6 GLN HA 1 7 ILE H . . 3.520 3.544 3.544 3.544 0.024 1 0 "[ ]" 1 46 1 6 GLN HA 1 9 GLU H . . 3.580 3.449 3.449 3.449 . 0 0 "[ ]" 1 47 1 6 GLN QB 1 8 ILE H . . 5.350 4.933 4.933 4.933 . 0 0 "[ ]" 1 48 1 6 GLN QG 1 7 ILE H . . 5.630 2.125 2.125 2.125 . 0 0 "[ ]" 1 49 1 7 ILE H 1 7 ILE HB . . 2.550 2.208 2.208 2.208 . 0 0 "[ ]" 1 50 1 7 ILE H 1 8 ILE H . . 3.480 2.460 2.460 2.460 . 0 0 "[ ]" 1 51 1 7 ILE HB 1 8 ILE H . . 3.170 3.144 3.144 3.144 . 0 0 "[ ]" 1 52 1 8 ILE H 1 8 ILE HB . . 2.620 2.430 2.430 2.430 . 0 0 "[ ]" 1 53 1 8 ILE H 1 8 ILE HG12 . . 3.140 2.050 2.050 2.050 . 0 0 "[ ]" 1 54 1 8 ILE H 1 8 ILE HG13 . . 4.040 3.499 3.499 3.499 . 0 0 "[ ]" 1 55 1 8 ILE H 1 9 GLU H . . 3.020 2.669 2.669 2.669 . 0 0 "[ ]" 1 56 1 8 ILE H 2 25 ALA MB . . 6.120 4.983 4.983 4.983 . 0 0 "[ ]" 1 57 1 8 ILE HA 1 11 VAL H . . 4.510 3.499 3.499 3.499 . 0 0 "[ ]" 1 58 1 8 ILE HA 2 30 PHE QE . . 7.620 3.988 3.988 3.988 . 0 0 "[ ]" 1 59 1 8 ILE HB 1 9 GLU H . . 2.740 2.479 2.479 2.479 . 0 0 "[ ]" 1 60 1 8 ILE MG 1 9 GLU H . . 5.010 3.354 3.354 3.354 . 0 0 "[ ]" 1 61 1 8 ILE MG 2 26 MET H . . 5.660 3.806 3.806 3.806 . 0 0 "[ ]" 1 62 1 8 ILE MG 2 30 PHE H . . 6.530 4.801 4.801 4.801 . 0 0 "[ ]" 1 63 1 8 ILE MG 2 30 PHE QD . . 8.650 4.168 4.168 4.168 . 0 0 "[ ]" 1 64 1 8 ILE MG 2 30 PHE QE . . 7.940 3.053 3.053 3.053 . 0 0 "[ ]" 1 65 1 8 ILE MG 2 30 PHE HZ . . 5.160 4.222 4.222 4.222 . 0 0 "[ ]" 1 66 1 8 ILE MD 1 9 GLU H . . 5.910 4.626 4.626 4.626 . 0 0 "[ ]" 1 67 1 8 ILE MD 2 25 ALA H . . 6.530 3.598 3.598 3.598 . 0 0 "[ ]" 1 68 1 8 ILE MD 2 26 MET H . . 5.190 2.489 2.489 2.489 . 0 0 "[ ]" 1 69 1 8 ILE MD 2 27 GLU H . . 6.530 4.872 4.872 4.872 . 0 0 "[ ]" 1 70 1 8 ILE MD 2 29 LYS H . . 6.530 5.278 5.278 5.278 . 0 0 "[ ]" 1 71 1 8 ILE MD 2 30 PHE QD . . 8.650 4.886 4.886 4.886 . 0 0 "[ ]" 1 72 1 8 ILE MD 2 30 PHE QE . . 8.650 4.066 4.066 4.066 . 0 0 "[ ]" 1 73 1 9 GLU H 1 9 GLU HA . . 2.900 2.790 2.790 2.790 . 0 0 "[ ]" 1 74 1 9 GLU H 1 9 GLU QB . . 3.680 2.424 2.424 2.424 . 0 0 "[ ]" 1 75 1 9 GLU H 1 9 GLU HG2 . . 5.470 2.140 2.140 2.140 . 0 0 "[ ]" 1 76 1 9 GLU H 1 9 GLU HG3 . . 5.470 3.249 3.249 3.249 . 0 0 "[ ]" 1 77 1 9 GLU H 1 9 GLU QG . . 5.120 2.112 2.112 2.112 . 0 0 "[ ]" 1 78 1 9 GLU H 1 10 ALA H . . 3.240 2.608 2.608 2.608 . 0 0 "[ ]" 1 79 1 9 GLU HA 1 10 ALA H . . 3.390 3.441 3.441 3.441 0.051 1 0 "[ ]" 1 80 1 9 GLU HA 1 12 ALA H . . 3.580 3.102 3.102 3.102 . 0 0 "[ ]" 1 81 1 9 GLU QB 1 10 ALA H . . 4.080 3.807 3.807 3.807 . 0 0 "[ ]" 1 82 1 9 GLU QB 1 11 VAL H . . 5.910 5.326 5.326 5.326 . 0 0 "[ ]" 1 83 1 10 ALA H 1 10 ALA MB . . 3.550 2.185 2.185 2.185 . 0 0 "[ ]" 1 84 1 10 ALA H 1 11 VAL H . . 2.930 2.487 2.487 2.487 . 0 0 "[ ]" 1 85 1 10 ALA H 1 11 VAL HB . . 4.320 4.403 4.403 4.403 0.083 1 0 "[ ]" 1 86 1 10 ALA H 1 11 VAL MG2 . . 5.810 4.364 4.364 4.364 . 0 0 "[ ]" 1 87 1 10 ALA HA 1 11 VAL H . . 3.580 3.604 3.604 3.604 0.024 1 0 "[ ]" 1 88 1 10 ALA HA 1 13 ALA H . . 4.170 3.618 3.618 3.618 . 0 0 "[ ]" 1 89 1 10 ALA MB 1 11 VAL H . . 3.950 2.582 2.582 2.582 . 0 0 "[ ]" 1 90 1 11 VAL H 1 11 VAL HB . . 2.710 2.170 2.170 2.170 . 0 0 "[ ]" 1 91 1 11 VAL H 1 11 VAL MG1 . . 4.480 3.616 3.616 3.616 . 0 0 "[ ]" 1 92 1 11 VAL H 1 11 VAL MG2 . . 4.020 2.579 2.579 2.579 . 0 0 "[ ]" 1 93 1 11 VAL H 1 12 ALA H . . 2.930 2.483 2.483 2.483 . 0 0 "[ ]" 1 94 1 11 VAL H 1 14 MET ME . . 6.530 5.313 5.313 5.313 . 0 0 "[ ]" 1 95 1 11 VAL H 2 22 LEU QD . . 8.100 5.402 5.402 5.402 . 0 0 "[ ]" 1 96 1 11 VAL H 2 26 MET HG2 . . 5.130 5.248 5.248 5.248 0.118 1 0 "[ ]" 1 97 1 11 VAL H 2 26 MET ME . . 6.530 3.766 3.766 3.766 . 0 0 "[ ]" 1 98 1 11 VAL HA 1 13 ALA H . . 4.170 3.401 3.401 3.401 . 0 0 "[ ]" 1 99 1 11 VAL HA 1 14 MET H . . 3.550 3.348 3.348 3.348 . 0 0 "[ ]" 1 100 1 11 VAL HB 1 12 ALA H . . 3.360 3.084 3.084 3.084 . 0 0 "[ ]" 1 101 1 11 VAL HB 2 30 PHE QE . . 7.620 2.975 2.975 2.975 . 0 0 "[ ]" 1 102 1 11 VAL MG1 1 12 ALA H . . 4.880 3.445 3.445 3.445 . 0 0 "[ ]" 1 103 1 11 VAL MG1 1 13 ALA H . . 6.530 4.373 4.373 4.373 . 0 0 "[ ]" 1 104 1 11 VAL MG1 2 30 PHE QD . . 8.650 3.862 3.862 3.862 . 0 0 "[ ]" 1 105 1 11 VAL MG1 2 30 PHE QE . . 8.530 2.595 2.595 2.595 . 0 0 "[ ]" 1 106 1 11 VAL MG1 2 30 PHE HZ . . 6.530 2.199 2.199 2.199 . 0 0 "[ ]" 1 107 1 11 VAL MG2 1 12 ALA H . . 6.190 4.204 4.204 4.204 . 0 0 "[ ]" 1 108 1 11 VAL MG2 2 30 PHE QE . . 8.650 4.100 4.100 4.100 . 0 0 "[ ]" 1 109 1 11 VAL MG2 2 30 PHE HZ . . 6.530 4.553 4.553 4.553 . 0 0 "[ ]" 1 110 1 12 ALA H 1 12 ALA MB . . 3.430 2.145 2.145 2.145 . 0 0 "[ ]" 1 111 1 12 ALA H 1 13 ALA H . . 3.170 2.559 2.559 2.559 . 0 0 "[ ]" 1 112 1 12 ALA H 2 26 MET ME . . 6.530 5.311 5.311 5.311 . 0 0 "[ ]" 1 113 1 12 ALA H 2 30 PHE HZ . . 5.500 2.830 2.830 2.830 . 0 0 "[ ]" 1 114 1 12 ALA HA 1 13 ALA H . . 3.640 3.219 3.219 3.219 . 0 0 "[ ]" 1 115 1 12 ALA HA 1 14 MET H . . 4.350 4.039 4.039 4.039 . 0 0 "[ ]" 1 116 1 12 ALA HA 2 30 PHE HZ . . 5.500 2.523 2.523 2.523 . 0 0 "[ ]" 1 117 1 12 ALA MB 2 30 PHE QE . . 8.650 2.462 2.462 2.462 . 0 0 "[ ]" 1 118 1 12 ALA MB 2 30 PHE HZ . . 6.250 2.110 2.110 2.110 . 0 0 "[ ]" 1 119 1 13 ALA H 1 13 ALA MB . . 3.490 2.211 2.211 2.211 . 0 0 "[ ]" 1 120 1 13 ALA H 1 14 MET H . . 2.800 1.935 1.935 1.935 . 0 0 "[ ]" 1 121 1 13 ALA H 1 14 MET HB2 . . 4.510 4.178 4.178 4.178 . 0 0 "[ ]" 1 122 1 13 ALA HA 1 14 MET H . . 3.520 3.532 3.532 3.532 0.012 1 0 "[ ]" 1 123 1 14 MET H 1 14 MET HB2 . . 2.710 2.459 2.459 2.459 . 0 0 "[ ]" 1 124 1 14 MET H 1 14 MET HB3 . . 3.580 3.602 3.602 3.602 0.022 1 0 "[ ]" 1 125 1 14 MET H 1 14 MET HG2 . . 4.660 3.900 3.900 3.900 . 0 0 "[ ]" 1 126 1 14 MET H 1 14 MET HG3 . . 3.610 2.504 2.504 2.504 . 0 0 "[ ]" 1 127 1 14 MET H 1 14 MET ME . . 6.530 4.471 4.471 4.471 . 0 0 "[ ]" 1 128 1 14 MET H 1 15 SER H . . 4.850 4.549 4.549 4.549 . 0 0 "[ ]" 1 129 1 14 MET H 1 19 VAL MG2 . . 6.190 4.207 4.207 4.207 . 0 0 "[ ]" 1 130 1 14 MET HA 1 15 SER H . . 2.550 2.577 2.577 2.577 0.027 1 0 "[ ]" 1 131 1 14 MET HB2 1 15 SER H . . 3.450 3.445 3.445 3.445 . 0 0 "[ ]" 1 132 1 14 MET HB3 1 15 SER H . . 2.990 2.326 2.326 2.326 . 0 0 "[ ]" 1 133 1 14 MET HG2 1 15 SER H . . 4.320 4.200 4.200 4.200 . 0 0 "[ ]" 1 134 1 14 MET ME 2 4 LYS H . . 6.160 4.465 4.465 4.465 . 0 0 "[ ]" 1 135 1 15 SER H 1 15 SER HB2 . . 3.330 3.418 3.418 3.418 0.088 1 0 "[ ]" 1 136 1 15 SER H 1 15 SER HB3 . . 3.110 3.122 3.122 3.122 0.012 1 0 "[ ]" 1 137 1 15 SER H 1 16 VAL H . . 4.880 4.630 4.630 4.630 . 0 0 "[ ]" 1 138 1 15 SER H 1 18 ASP HB2 . . 3.830 3.082 3.082 3.082 . 0 0 "[ ]" 1 139 1 15 SER H 1 18 ASP HB3 . . 3.170 3.132 3.132 3.132 . 0 0 "[ ]" 1 140 1 15 SER H 1 19 VAL MG2 . . 6.530 4.451 4.451 4.451 . 0 0 "[ ]" 1 141 1 15 SER HA 1 16 VAL H . . 2.550 2.457 2.457 2.457 . 0 0 "[ ]" 1 142 1 15 SER HB2 1 16 VAL H . . 3.110 2.682 2.682 2.682 . 0 0 "[ ]" 1 143 1 15 SER HB3 1 16 VAL H . . 3.420 3.451 3.451 3.451 0.031 1 0 "[ ]" 1 144 1 15 SER HB3 1 17 MET H . . 4.260 4.226 4.226 4.226 . 0 0 "[ ]" 1 145 1 16 VAL H 1 16 VAL HB . . 2.710 2.479 2.479 2.479 . 0 0 "[ ]" 1 146 1 16 VAL H 1 16 VAL MG1 . . 4.790 3.701 3.701 3.701 . 0 0 "[ ]" 1 147 1 16 VAL H 1 16 VAL MG2 . . 4.200 2.059 2.059 2.059 . 0 0 "[ ]" 1 148 1 16 VAL H 1 17 MET H . . 3.270 2.811 2.811 2.811 . 0 0 "[ ]" 1 149 1 16 VAL HA 1 19 VAL H . . 3.450 3.257 3.257 3.257 . 0 0 "[ ]" 1 150 1 16 VAL HB 1 17 MET H . . 2.930 2.644 2.644 2.644 . 0 0 "[ ]" 1 151 1 16 VAL MG1 1 17 MET H . . 4.980 3.520 3.520 3.520 . 0 0 "[ ]" 1 152 1 16 VAL MG2 1 17 MET H . . 6.530 3.856 3.856 3.856 . 0 0 "[ ]" 1 153 1 16 VAL MG2 1 18 ASP H . . 6.530 5.439 5.439 5.439 . 0 0 "[ ]" 1 154 1 16 VAL MG2 2 30 PHE QD . . 8.650 5.773 5.773 5.773 . 0 0 "[ ]" 1 155 1 16 VAL MG2 2 30 PHE QE . . 8.650 5.598 5.598 5.598 . 0 0 "[ ]" 1 156 1 17 MET H 1 17 MET HA . . 2.830 2.715 2.715 2.715 . 0 0 "[ ]" 1 157 1 17 MET H 1 17 MET HB2 . . 2.710 2.147 2.147 2.147 . 0 0 "[ ]" 1 158 1 17 MET H 1 17 MET HG2 . . 5.500 4.001 4.001 4.001 . 0 0 "[ ]" 1 159 1 17 MET H 1 17 MET HG3 . . 3.700 2.760 2.760 2.760 . 0 0 "[ ]" 1 160 1 17 MET H 1 18 ASP H . . 2.930 2.872 2.872 2.872 . 0 0 "[ ]" 1 161 1 17 MET HA 1 20 VAL H . . 3.830 3.198 3.198 3.198 . 0 0 "[ ]" 1 162 1 17 MET HB3 1 18 ASP H . . 3.110 3.197 3.197 3.197 0.087 1 0 "[ ]" 1 163 1 18 ASP H 1 18 ASP HB2 . . 3.240 2.365 2.365 2.365 . 0 0 "[ ]" 1 164 1 18 ASP H 1 18 ASP HB3 . . 2.930 2.547 2.547 2.547 . 0 0 "[ ]" 1 165 1 18 ASP H 1 19 VAL H . . 3.270 2.604 2.604 2.604 . 0 0 "[ ]" 1 166 1 18 ASP H 1 19 VAL MG2 . . 6.220 3.798 3.798 3.798 . 0 0 "[ ]" 1 167 1 18 ASP HA 1 21 GLU H . . 4.040 3.539 3.539 3.539 . 0 0 "[ ]" 1 168 1 18 ASP HB2 1 19 VAL H . . 4.290 3.969 3.969 3.969 . 0 0 "[ ]" 1 169 1 18 ASP HB3 1 19 VAL H . . 3.480 2.875 2.875 2.875 . 0 0 "[ ]" 1 170 1 19 VAL H 1 19 VAL HB . . 2.680 2.384 2.384 2.384 . 0 0 "[ ]" 1 171 1 19 VAL H 1 19 VAL MG2 . . 4.170 2.157 2.157 2.157 . 0 0 "[ ]" 1 172 1 19 VAL H 1 20 VAL H . . 3.300 2.415 2.415 2.415 . 0 0 "[ ]" 1 173 1 19 VAL H 1 20 VAL MG1 . . 6.530 5.564 5.564 5.564 . 0 0 "[ ]" 1 174 1 19 VAL H 1 20 VAL MG2 . . 6.340 4.095 4.095 4.095 . 0 0 "[ ]" 1 175 1 19 VAL HA 1 22 LEU H . . 3.580 3.389 3.389 3.389 . 0 0 "[ ]" 1 176 1 19 VAL HA 1 23 ILE H . . 3.980 3.785 3.785 3.785 . 0 0 "[ ]" 1 177 1 19 VAL HB 1 20 VAL H . . 2.990 2.777 2.777 2.777 . 0 0 "[ ]" 1 178 1 19 VAL MG2 1 20 VAL H . . 5.630 3.884 3.884 3.884 . 0 0 "[ ]" 1 179 1 19 VAL MG2 2 30 PHE QE . . 8.650 4.680 4.680 4.680 . 0 0 "[ ]" 1 180 1 19 VAL MG2 2 30 PHE HZ . . 5.910 4.723 4.723 4.723 . 0 0 "[ ]" 1 181 1 20 VAL H 1 20 VAL HB . . 2.740 2.219 2.219 2.219 . 0 0 "[ ]" 1 182 1 20 VAL H 1 20 VAL MG1 . . 4.570 3.648 3.648 3.648 . 0 0 "[ ]" 1 183 1 20 VAL H 1 20 VAL MG2 . . 3.990 2.386 2.386 2.386 . 0 0 "[ ]" 1 184 1 20 VAL H 1 21 GLU H . . 3.140 2.700 2.700 2.700 . 0 0 "[ ]" 1 185 1 20 VAL H 1 23 ILE HB . . 5.250 5.222 5.222 5.222 . 0 0 "[ ]" 1 186 1 20 VAL HA 1 23 ILE H . . 3.920 3.879 3.879 3.879 . 0 0 "[ ]" 1 187 1 20 VAL HB 1 21 GLU H . . 2.900 2.601 2.601 2.601 . 0 0 "[ ]" 1 188 1 20 VAL MG1 1 21 GLU H . . 5.320 3.035 3.035 3.035 . 0 0 "[ ]" 1 189 1 20 VAL MG2 1 21 GLU H . . 5.470 4.005 4.005 4.005 . 0 0 "[ ]" 1 190 1 21 GLU H 1 21 GLU HB2 . . 2.900 2.283 2.283 2.283 . 0 0 "[ ]" 1 191 1 21 GLU H 1 21 GLU HB3 . . 3.420 3.512 3.512 3.512 0.092 1 0 "[ ]" 1 192 1 21 GLU H 1 22 LEU H . . 2.860 2.812 2.812 2.812 . 0 0 "[ ]" 1 193 1 21 GLU H 1 22 LEU QD . . 7.940 5.567 5.567 5.567 . 0 0 "[ ]" 1 194 1 21 GLU HA 1 22 LEU H . . 3.580 3.625 3.625 3.625 0.045 1 0 "[ ]" 1 195 1 21 GLU HA 1 24 SER H . . 3.670 3.647 3.647 3.647 . 0 0 "[ ]" 1 196 1 21 GLU HB2 1 22 LEU H . . 3.300 2.642 2.642 2.642 . 0 0 "[ ]" 1 197 1 21 GLU HB3 1 22 LEU H . . 3.580 3.365 3.365 3.365 . 0 0 "[ ]" 1 198 1 22 LEU H 1 22 LEU HA . . 2.830 2.755 2.755 2.755 . 0 0 "[ ]" 1 199 1 22 LEU H 1 22 LEU HB2 . . 2.930 2.399 2.399 2.399 . 0 0 "[ ]" 1 200 1 22 LEU H 1 22 LEU HB3 . . 2.960 2.468 2.468 2.468 . 0 0 "[ ]" 1 201 1 22 LEU H 1 22 LEU HG . . 5.130 4.515 4.515 4.515 . 0 0 "[ ]" 1 202 1 22 LEU H 1 22 LEU MD1 . . 5.780 4.097 4.097 4.097 . 0 0 "[ ]" 1 203 1 22 LEU H 1 22 LEU MD2 . . 5.780 4.003 4.003 4.003 . 0 0 "[ ]" 1 204 1 22 LEU H 1 23 ILE H . . 3.080 3.038 3.038 3.038 . 0 0 "[ ]" 1 205 1 22 LEU H 2 4 LYS HB3 . . 4.600 4.694 4.694 4.694 0.094 1 0 "[ ]" 1 206 1 22 LEU H 2 4 LYS QD . . 6.380 2.920 2.920 2.920 . 0 0 "[ ]" 1 207 1 22 LEU HA 1 25 ALA H . . 4.070 3.312 3.312 3.312 . 0 0 "[ ]" 1 208 1 22 LEU HB2 1 23 ILE H . . 3.610 3.699 3.699 3.699 0.089 1 0 "[ ]" 1 209 1 22 LEU HG 1 23 ILE H . . 4.260 4.359 4.359 4.359 0.099 1 0 "[ ]" 1 210 1 22 LEU QD 1 23 ILE H . . 7.260 2.501 2.501 2.501 . 0 0 "[ ]" 1 211 1 22 LEU QD 1 25 ALA H . . 8.040 3.795 3.795 3.795 . 0 0 "[ ]" 1 212 1 22 LEU QD 2 11 VAL H . . 8.100 5.432 5.432 5.432 . 0 0 "[ ]" 1 213 1 23 ILE H 1 23 ILE HB . . 2.490 2.328 2.328 2.328 . 0 0 "[ ]" 1 214 1 23 ILE H 1 23 ILE MG . . 4.730 3.688 3.688 3.688 . 0 0 "[ ]" 1 215 1 23 ILE H 1 23 ILE HG12 . . 3.730 2.221 2.221 2.221 . 0 0 "[ ]" 1 216 1 23 ILE H 1 23 ILE MD . . 5.230 3.291 3.291 3.291 . 0 0 "[ ]" 1 217 1 23 ILE H 1 24 SER H . . 3.080 2.933 2.933 2.933 . 0 0 "[ ]" 1 218 1 23 ILE HA 1 26 MET H . . 3.920 3.704 3.704 3.704 . 0 0 "[ ]" 1 219 1 23 ILE HB 1 24 SER H . . 2.930 2.698 2.698 2.698 . 0 0 "[ ]" 1 220 1 23 ILE MG 1 24 SER H . . 4.920 3.117 3.117 3.117 . 0 0 "[ ]" 1 221 1 23 ILE MG 1 27 GLU H . . 6.500 3.959 3.959 3.959 . 0 0 "[ ]" 1 222 1 23 ILE HG13 1 24 SER H . . 5.310 5.088 5.088 5.088 . 0 0 "[ ]" 1 223 1 24 SER H 1 24 SER HB2 . . 3.450 2.184 2.184 2.184 . 0 0 "[ ]" 1 224 1 24 SER H 1 24 SER HB3 . . 3.450 3.470 3.470 3.470 0.020 1 0 "[ ]" 1 225 1 24 SER H 1 24 SER QB . . 3.030 2.162 2.162 2.162 . 0 0 "[ ]" 1 226 1 24 SER H 1 25 ALA H . . 2.960 2.717 2.717 2.717 . 0 0 "[ ]" 1 227 1 24 SER HA 1 25 ALA H . . 3.550 3.592 3.592 3.592 0.042 1 0 "[ ]" 1 228 1 24 SER HA 1 27 GLU H . . 3.760 3.582 3.582 3.582 . 0 0 "[ ]" 1 229 1 24 SER HB2 1 25 ALA H . . 3.360 2.902 2.902 2.902 . 0 0 "[ ]" 1 230 1 24 SER HB3 1 25 ALA H . . 3.360 3.448 3.448 3.448 0.088 1 0 "[ ]" 1 231 1 24 SER QB 1 25 ALA H . . 3.070 2.759 2.759 2.759 . 0 0 "[ ]" 1 232 1 25 ALA H 1 25 ALA HA . . 2.770 2.791 2.791 2.791 0.021 1 0 "[ ]" 1 233 1 25 ALA H 1 25 ALA MB . . 3.640 2.100 2.100 2.100 . 0 0 "[ ]" 1 234 1 25 ALA H 1 26 MET H . . 3.020 2.901 2.901 2.901 . 0 0 "[ ]" 1 235 1 25 ALA H 2 8 ILE MD . . 6.530 4.291 4.291 4.291 . 0 0 "[ ]" 1 236 1 25 ALA HA 1 28 GLU H . . 3.610 3.624 3.624 3.624 0.014 1 0 "[ ]" 1 237 1 25 ALA MB 1 26 MET H . . 3.950 2.107 2.107 2.107 . 0 0 "[ ]" 1 238 1 25 ALA MB 1 28 GLU H . . 6.530 4.627 4.627 4.627 . 0 0 "[ ]" 1 239 1 25 ALA MB 2 8 ILE H . . 6.120 5.114 5.114 5.114 . 0 0 "[ ]" 1 240 1 26 MET H 1 26 MET HB2 . . 3.240 2.395 2.395 2.395 . 0 0 "[ ]" 1 241 1 26 MET H 1 26 MET HG2 . . 3.520 3.444 3.444 3.444 . 0 0 "[ ]" 1 242 1 26 MET H 1 26 MET HG3 . . 3.170 2.123 2.123 2.123 . 0 0 "[ ]" 1 243 1 26 MET H 1 26 MET ME . . 6.530 4.496 4.496 4.496 . 0 0 "[ ]" 1 244 1 26 MET H 1 27 GLU H . . 2.860 2.858 2.858 2.858 . 0 0 "[ ]" 1 245 1 26 MET H 2 8 ILE MG . . 5.660 4.179 4.179 4.179 . 0 0 "[ ]" 1 246 1 26 MET H 2 8 ILE MD . . 5.190 3.234 3.234 3.234 . 0 0 "[ ]" 1 247 1 26 MET HA 1 29 LYS H . . 3.550 3.201 3.201 3.201 . 0 0 "[ ]" 1 248 1 26 MET HA 1 30 PHE H . . 3.730 3.128 3.128 3.128 . 0 0 "[ ]" 1 249 1 26 MET HA 1 30 PHE QD . . 7.620 2.429 2.429 2.429 . 0 0 "[ ]" 1 250 1 26 MET HA 1 30 PHE QE . . 7.620 3.466 3.466 3.466 . 0 0 "[ ]" 1 251 1 26 MET HB2 1 27 GLU H . . 3.480 2.670 2.670 2.670 . 0 0 "[ ]" 1 252 1 26 MET HG2 1 30 PHE H . . 4.850 4.957 4.957 4.957 0.107 1 0 "[ ]" 1 253 1 26 MET HG2 1 30 PHE QD . . 7.620 3.094 3.094 3.094 . 0 0 "[ ]" 1 254 1 26 MET HG2 1 30 PHE QE . . 7.620 2.254 2.254 2.254 . 0 0 "[ ]" 1 255 1 26 MET HG2 2 11 VAL H . . 5.130 5.245 5.245 5.245 0.115 1 0 "[ ]" 1 256 1 26 MET HG3 1 27 GLU H . . 4.350 4.466 4.466 4.466 0.116 1 0 "[ ]" 1 257 1 26 MET ME 1 30 PHE QD . . 8.650 3.243 3.243 3.243 . 0 0 "[ ]" 1 258 1 26 MET ME 1 30 PHE QE . . 8.650 2.640 2.640 2.640 . 0 0 "[ ]" 1 259 1 26 MET ME 1 30 PHE HZ . . 6.530 3.828 3.828 3.828 . 0 0 "[ ]" 1 260 1 26 MET ME 2 11 VAL H . . 6.530 4.536 4.536 4.536 . 0 0 "[ ]" 1 261 1 26 MET ME 2 12 ALA H . . 6.530 5.317 5.317 5.317 . 0 0 "[ ]" 1 262 1 27 GLU H 1 27 GLU HB2 . . 3.020 2.165 2.165 2.165 . 0 0 "[ ]" 1 263 1 27 GLU H 1 27 GLU HB3 . . 3.420 3.459 3.459 3.459 0.039 1 0 "[ ]" 1 264 1 27 GLU H 1 27 GLU HG2 . . 5.500 3.837 3.837 3.837 . 0 0 "[ ]" 1 265 1 27 GLU H 1 27 GLU HG3 . . 5.500 2.794 2.794 2.794 . 0 0 "[ ]" 1 266 1 27 GLU H 1 27 GLU QG . . 4.760 2.730 2.730 2.730 . 0 0 "[ ]" 1 267 1 27 GLU H 1 28 GLU H . . 3.240 2.870 2.870 2.870 . 0 0 "[ ]" 1 268 1 27 GLU H 2 8 ILE MD . . 6.530 5.312 5.312 5.312 . 0 0 "[ ]" 1 269 1 27 GLU HA 1 30 PHE H . . 4.510 4.433 4.433 4.433 . 0 0 "[ ]" 1 270 1 27 GLU HA 1 30 PHE QD . . 7.620 4.817 4.817 4.817 . 0 0 "[ ]" 1 271 1 27 GLU HB2 1 28 GLU H . . 3.390 2.891 2.891 2.891 . 0 0 "[ ]" 1 272 1 27 GLU HB3 1 28 GLU H . . 3.240 3.267 3.267 3.267 0.027 1 0 "[ ]" 1 273 1 27 GLU QG 1 28 GLU H . . 6.380 4.424 4.424 4.424 . 0 0 "[ ]" 1 274 1 28 GLU H 1 28 GLU HA . . 2.900 2.844 2.844 2.844 . 0 0 "[ ]" 1 275 1 28 GLU H 1 28 GLU HB2 . . 2.710 2.633 2.633 2.633 . 0 0 "[ ]" 1 276 1 28 GLU H 1 28 GLU HB3 . . 2.800 2.415 2.415 2.415 . 0 0 "[ ]" 1 277 1 28 GLU H 1 28 GLU HG2 . . 4.450 4.396 4.396 4.396 . 0 0 "[ ]" 1 278 1 28 GLU H 1 28 GLU HG3 . . 4.450 4.437 4.437 4.437 . 0 0 "[ ]" 1 279 1 28 GLU H 1 28 GLU QG . . 4.240 3.934 3.934 3.934 . 0 0 "[ ]" 1 280 1 28 GLU H 1 29 LYS H . . 2.960 2.474 2.474 2.474 . 0 0 "[ ]" 1 281 1 28 GLU HA 1 29 LYS H . . 3.640 3.618 3.618 3.618 . 0 0 "[ ]" 1 282 1 28 GLU HA 1 31 GLY H . . 3.860 3.371 3.371 3.371 . 0 0 "[ ]" 1 283 1 28 GLU HB3 1 29 LYS H . . 2.860 2.593 2.593 2.593 . 0 0 "[ ]" 1 284 1 28 GLU QG 1 29 LYS H . . 6.380 3.564 3.564 3.564 . 0 0 "[ ]" 1 285 1 29 LYS H 1 29 LYS HA . . 2.930 2.754 2.754 2.754 . 0 0 "[ ]" 1 286 1 29 LYS H 1 29 LYS HB2 . . 2.930 2.505 2.505 2.505 . 0 0 "[ ]" 1 287 1 29 LYS H 1 29 LYS HB3 . . 2.830 2.413 2.413 2.413 . 0 0 "[ ]" 1 288 1 29 LYS H 1 29 LYS HG2 . . 5.500 4.561 4.561 4.561 . 0 0 "[ ]" 1 289 1 29 LYS H 1 29 LYS HG3 . . 5.500 4.356 4.356 4.356 . 0 0 "[ ]" 1 290 1 29 LYS H 1 30 PHE H . . 3.210 3.025 3.025 3.025 . 0 0 "[ ]" 1 291 1 29 LYS H 2 8 ILE MD . . 6.530 4.361 4.361 4.361 . 0 0 "[ ]" 1 292 1 29 LYS HA 1 30 PHE H . . 3.580 3.640 3.640 3.640 0.060 1 0 "[ ]" 1 293 1 29 LYS HB2 1 30 PHE H . . 3.830 3.769 3.769 3.769 . 0 0 "[ ]" 1 294 1 29 LYS HB2 1 30 PHE QD . . 7.620 4.513 4.513 4.513 . 0 0 "[ ]" 1 295 1 29 LYS HB2 1 30 PHE QE . . 7.620 5.236 5.236 5.236 . 0 0 "[ ]" 1 296 1 29 LYS HB3 1 30 PHE H . . 3.610 2.293 2.293 2.293 . 0 0 "[ ]" 1 297 1 29 LYS HB3 1 30 PHE QD . . 7.620 2.803 2.803 2.803 . 0 0 "[ ]" 1 298 1 29 LYS HB3 1 30 PHE QE . . 7.620 3.923 3.923 3.923 . 0 0 "[ ]" 1 299 1 29 LYS QG 1 30 PHE QD . . 8.500 3.416 3.416 3.416 . 0 0 "[ ]" 1 300 1 29 LYS QG 1 30 PHE QE . . 8.500 3.520 3.520 3.520 . 0 0 "[ ]" 1 301 1 29 LYS HE2 1 30 PHE QE . . 7.620 6.304 6.304 6.304 . 0 0 "[ ]" 1 302 1 30 PHE H 1 30 PHE HB2 . . 3.050 2.208 2.208 2.208 . 0 0 "[ ]" 1 303 1 30 PHE H 1 30 PHE HB3 . . 3.450 3.447 3.447 3.447 . 0 0 "[ ]" 1 304 1 30 PHE H 1 31 GLY H . . 2.860 2.607 2.607 2.607 . 0 0 "[ ]" 1 305 1 30 PHE H 2 8 ILE MG . . 6.530 4.339 4.339 4.339 . 0 0 "[ ]" 1 306 1 30 PHE HA 1 31 GLY H . . 3.360 3.366 3.366 3.366 0.006 1 0 "[ ]" 1 307 1 30 PHE HB2 1 31 GLY H . . 3.860 3.400 3.400 3.400 . 0 0 "[ ]" 1 308 1 30 PHE HB3 1 31 GLY H . . 4.790 4.162 4.162 4.162 . 0 0 "[ ]" 1 309 1 30 PHE QD 1 32 VAL HB . . 7.620 5.151 5.151 5.151 . 0 0 "[ ]" 1 310 1 30 PHE QD 2 8 ILE MG . . 8.650 3.415 3.415 3.415 . 0 0 "[ ]" 1 311 1 30 PHE QD 2 8 ILE MD . . 8.650 5.027 5.027 5.027 . 0 0 "[ ]" 1 312 1 30 PHE QD 2 11 VAL MG1 . . 8.650 3.879 3.879 3.879 . 0 0 "[ ]" 1 313 1 30 PHE QD 2 16 VAL MG2 . . 8.650 5.634 5.634 5.634 . 0 0 "[ ]" 1 314 1 30 PHE QE 1 32 VAL HB . . 7.620 7.067 7.067 7.067 . 0 0 "[ ]" 1 315 1 30 PHE QE 2 8 ILE HA . . 7.620 3.150 3.150 3.150 . 0 0 "[ ]" 1 316 1 30 PHE QE 2 8 ILE MG . . 7.940 2.376 2.376 2.376 . 0 0 "[ ]" 1 317 1 30 PHE QE 2 8 ILE MD . . 8.650 4.721 4.721 4.721 . 0 0 "[ ]" 1 318 1 30 PHE QE 2 11 VAL HB . . 7.620 2.791 2.791 2.791 . 0 0 "[ ]" 1 319 1 30 PHE QE 2 11 VAL MG1 . . 8.530 2.786 2.786 2.786 . 0 0 "[ ]" 1 320 1 30 PHE QE 2 11 VAL MG2 . . 8.650 3.793 3.793 3.793 . 0 0 "[ ]" 1 321 1 30 PHE QE 2 12 ALA MB . . 8.650 2.692 2.692 2.692 . 0 0 "[ ]" 1 322 1 30 PHE QE 2 16 VAL MG2 . . 8.650 5.447 5.447 5.447 . 0 0 "[ ]" 1 323 1 30 PHE QE 2 19 VAL MG2 . . 8.650 4.665 4.665 4.665 . 0 0 "[ ]" 1 324 1 30 PHE HZ 2 8 ILE MG . . 5.160 3.831 3.831 3.831 . 0 0 "[ ]" 1 325 1 30 PHE HZ 2 11 VAL MG1 . . 6.530 2.277 2.277 2.277 . 0 0 "[ ]" 1 326 1 30 PHE HZ 2 11 VAL MG2 . . 6.530 4.107 4.107 4.107 . 0 0 "[ ]" 1 327 1 30 PHE HZ 2 12 ALA H . . 5.500 2.673 2.673 2.673 . 0 0 "[ ]" 1 328 1 30 PHE HZ 2 12 ALA HA . . 5.500 3.091 3.091 3.091 . 0 0 "[ ]" 1 329 1 30 PHE HZ 2 12 ALA MB . . 6.250 2.092 2.092 2.092 . 0 0 "[ ]" 1 330 1 30 PHE HZ 2 19 VAL MG2 . . 5.910 4.874 4.874 4.874 . 0 0 "[ ]" 1 331 1 31 GLY H 1 32 VAL H . . 3.050 3.003 3.003 3.003 . 0 0 "[ ]" 1 332 1 31 GLY H 1 32 VAL QG . . 7.620 4.018 4.018 4.018 . 0 0 "[ ]" 1 333 1 32 VAL H 1 32 VAL HB . . 3.270 2.508 2.508 2.508 . 0 0 "[ ]" 1 334 1 32 VAL H 1 33 SER H . . 3.330 3.292 3.292 3.292 . 0 0 "[ ]" 1 335 1 32 VAL HA 1 33 SER H . . 2.830 2.563 2.563 2.563 . 0 0 "[ ]" 1 336 1 32 VAL QG 1 33 SER H . . 6.820 3.661 3.661 3.661 . 0 0 "[ ]" 1 337 1 33 SER H 1 33 SER HA . . 2.900 2.883 2.883 2.883 . 0 0 "[ ]" 1 338 1 33 SER H 1 33 SER QB . . 3.830 2.706 2.706 2.706 . 0 0 "[ ]" 1 339 1 33 SER H 1 34 ALA H . . 4.690 4.364 4.364 4.364 . 0 0 "[ ]" 1 340 1 33 SER HA 1 34 ALA H . . 2.650 2.362 2.362 2.362 . 0 0 "[ ]" 1 341 1 33 SER QB 1 34 ALA H . . 4.550 3.514 3.514 3.514 . 0 0 "[ ]" 1 342 1 34 ALA H 1 35 ALA H . . 3.360 3.312 3.312 3.312 . 0 0 "[ ]" 1 343 1 34 ALA HA 1 35 ALA H . . 2.830 2.710 2.710 2.710 . 0 0 "[ ]" 1 344 1 35 ALA H 1 35 ALA HA . . 2.860 2.682 2.682 2.682 . 0 0 "[ ]" 1 345 1 35 ALA H 1 36 ALA H . . 3.890 4.293 4.293 4.293 0.403 1 0 "[ ]" 1 346 1 35 ALA HA 1 36 ALA H . . 2.740 2.237 2.237 2.237 . 0 0 "[ ]" 1 347 1 35 ALA MB 1 36 ALA H . . 4.420 3.593 3.593 3.593 . 0 0 "[ ]" 1 348 1 36 ALA H 1 36 ALA HA . . 2.650 2.798 2.798 2.798 0.148 1 0 "[ ]" 1 349 1 36 ALA HA 1 37 ALA H . . 2.620 3.633 3.633 3.633 1.013 1 1 [+] 1 350 2 1 SER H1 2 1 SER HA . . 2.800 2.884 2.884 2.884 0.084 1 0 "[ ]" 1 351 2 1 SER H1 2 1 SER QB . . 3.710 2.736 2.736 2.736 . 0 0 "[ ]" 1 352 2 1 SER H1 2 2 ILE H . . 3.240 3.192 3.192 3.192 . 0 0 "[ ]" 1 353 2 1 SER HA 2 2 ILE H . . 2.620 2.473 2.473 2.473 . 0 0 "[ ]" 1 354 2 2 ILE H 2 2 ILE HB . . 2.740 2.724 2.724 2.724 . 0 0 "[ ]" 1 355 2 2 ILE H 2 2 ILE HG12 . . 3.330 3.406 3.406 3.406 0.076 1 0 "[ ]" 1 356 2 2 ILE H 2 2 ILE HG13 . . 3.330 2.516 2.516 2.516 . 0 0 "[ ]" 1 357 2 2 ILE H 2 2 ILE QG . . 3.040 2.453 2.453 2.453 . 0 0 "[ ]" 1 358 2 2 ILE H 2 2 ILE MD . . 5.660 4.023 4.023 4.023 . 0 0 "[ ]" 1 359 2 2 ILE H 2 3 THR H . . 3.390 3.383 3.383 3.383 . 0 0 "[ ]" 1 360 2 2 ILE HA 2 3 THR H . . 2.590 2.521 2.521 2.521 . 0 0 "[ ]" 1 361 2 2 ILE HB 2 3 THR H . . 4.630 4.497 4.497 4.497 . 0 0 "[ ]" 1 362 2 2 ILE MG 2 3 THR H . . 4.920 3.949 3.949 3.949 . 0 0 "[ ]" 1 363 2 3 THR H 2 3 THR HA . . 2.930 2.899 2.899 2.899 . 0 0 "[ ]" 1 364 2 3 THR H 2 3 THR MG . . 4.080 2.367 2.367 2.367 . 0 0 "[ ]" 1 365 2 3 THR H 2 6 GLN QB . . 4.760 2.325 2.325 2.325 . 0 0 "[ ]" 1 366 2 3 THR H 2 6 GLN QG . . 4.450 3.956 3.956 3.956 . 0 0 "[ ]" 1 367 2 3 THR HA 2 4 LYS H . . 2.710 2.379 2.379 2.379 . 0 0 "[ ]" 1 368 2 3 THR HA 2 5 ASP H . . 4.320 4.386 4.386 4.386 0.066 1 0 "[ ]" 1 369 2 3 THR HB 2 4 LYS H . . 2.710 2.716 2.716 2.716 0.006 1 0 "[ ]" 1 370 2 3 THR HB 2 5 ASP H . . 2.930 3.026 3.026 3.026 0.096 1 0 "[ ]" 1 371 2 3 THR MG 2 4 LYS H . . 6.280 3.909 3.909 3.909 . 0 0 "[ ]" 1 372 2 3 THR MG 2 5 ASP H . . 6.530 4.594 4.594 4.594 . 0 0 "[ ]" 1 373 2 4 LYS H 2 4 LYS HB2 . . 2.930 2.201 2.201 2.201 . 0 0 "[ ]" 1 374 2 4 LYS H 2 4 LYS HB3 . . 3.420 3.476 3.476 3.476 0.056 1 0 "[ ]" 1 375 2 4 LYS H 2 5 ASP H . . 3.390 2.776 2.776 2.776 . 0 0 "[ ]" 1 376 2 4 LYS HA 2 7 ILE H . . 4.010 3.564 3.564 3.564 . 0 0 "[ ]" 1 377 2 4 LYS HB2 2 5 ASP H . . 3.270 2.830 2.830 2.830 . 0 0 "[ ]" 1 378 2 4 LYS HB3 2 5 ASP H . . 3.300 3.418 3.418 3.418 0.118 1 0 "[ ]" 1 379 2 4 LYS QG 2 5 ASP H . . 6.380 4.388 4.388 4.388 . 0 0 "[ ]" 1 380 2 4 LYS QD 2 5 ASP H . . 6.380 5.178 5.178 5.178 . 0 0 "[ ]" 1 381 2 5 ASP H 2 5 ASP HA . . 2.900 2.746 2.746 2.746 . 0 0 "[ ]" 1 382 2 5 ASP H 2 5 ASP HB2 . . 2.680 2.253 2.253 2.253 . 0 0 "[ ]" 1 383 2 5 ASP H 2 5 ASP HB3 . . 3.390 3.501 3.501 3.501 0.111 1 0 "[ ]" 1 384 2 5 ASP H 2 6 GLN H . . 2.740 2.725 2.725 2.725 . 0 0 "[ ]" 1 385 2 5 ASP HA 2 7 ILE H . . 4.010 3.940 3.940 3.940 . 0 0 "[ ]" 1 386 2 5 ASP HA 2 8 ILE H . . 3.980 3.171 3.171 3.171 . 0 0 "[ ]" 1 387 2 5 ASP HB2 2 6 GLN H . . 3.950 2.525 2.525 2.525 . 0 0 "[ ]" 1 388 2 5 ASP HB3 2 6 GLN H . . 4.450 3.283 3.283 3.283 . 0 0 "[ ]" 1 389 2 6 GLN H 2 6 GLN QG . . 3.960 2.838 2.838 2.838 . 0 0 "[ ]" 1 390 2 6 GLN H 2 7 ILE H . . 3.080 2.760 2.760 2.760 . 0 0 "[ ]" 1 391 2 6 GLN HA 2 7 ILE H . . 3.520 3.536 3.536 3.536 0.016 1 0 "[ ]" 1 392 2 6 GLN HA 2 9 GLU H . . 3.580 3.559 3.559 3.559 . 0 0 "[ ]" 1 393 2 6 GLN QB 2 8 ILE H . . 5.350 4.792 4.792 4.792 . 0 0 "[ ]" 1 394 2 6 GLN QG 2 7 ILE H . . 5.630 4.550 4.550 4.550 . 0 0 "[ ]" 1 395 2 7 ILE H 2 7 ILE HB . . 2.550 2.246 2.246 2.246 . 0 0 "[ ]" 1 396 2 7 ILE H 2 8 ILE H . . 3.480 2.430 2.430 2.430 . 0 0 "[ ]" 1 397 2 7 ILE HB 2 8 ILE H . . 3.170 2.923 2.923 2.923 . 0 0 "[ ]" 1 398 2 8 ILE H 2 8 ILE HB . . 2.620 2.418 2.418 2.418 . 0 0 "[ ]" 1 399 2 8 ILE H 2 8 ILE HG12 . . 3.140 3.206 3.206 3.206 0.066 1 0 "[ ]" 1 400 2 8 ILE H 2 8 ILE HG13 . . 4.040 2.028 2.028 2.028 . 0 0 "[ ]" 1 401 2 8 ILE H 2 9 GLU H . . 3.020 2.778 2.778 2.778 . 0 0 "[ ]" 1 402 2 8 ILE HA 2 11 VAL H . . 4.510 3.471 3.471 3.471 . 0 0 "[ ]" 1 403 2 8 ILE HB 2 9 GLU H . . 2.740 2.545 2.545 2.545 . 0 0 "[ ]" 1 404 2 8 ILE MG 2 9 GLU H . . 5.010 3.320 3.320 3.320 . 0 0 "[ ]" 1 405 2 8 ILE MD 2 9 GLU H . . 5.910 4.518 4.518 4.518 . 0 0 "[ ]" 1 406 2 9 GLU H 2 9 GLU HA . . 2.900 2.794 2.794 2.794 . 0 0 "[ ]" 1 407 2 9 GLU H 2 9 GLU QB . . 3.680 2.409 2.409 2.409 . 0 0 "[ ]" 1 408 2 9 GLU H 2 9 GLU HG2 . . 5.470 2.830 2.830 2.830 . 0 0 "[ ]" 1 409 2 9 GLU H 2 9 GLU HG3 . . 5.470 2.476 2.476 2.476 . 0 0 "[ ]" 1 410 2 9 GLU H 2 9 GLU QG . . 5.120 2.327 2.327 2.327 . 0 0 "[ ]" 1 411 2 9 GLU H 2 10 ALA H . . 3.240 2.595 2.595 2.595 . 0 0 "[ ]" 1 412 2 9 GLU HA 2 10 ALA H . . 3.390 3.439 3.439 3.439 0.049 1 0 "[ ]" 1 413 2 9 GLU HA 2 12 ALA H . . 3.580 3.220 3.220 3.220 . 0 0 "[ ]" 1 414 2 9 GLU QB 2 10 ALA H . . 4.080 3.209 3.209 3.209 . 0 0 "[ ]" 1 415 2 9 GLU QB 2 11 VAL H . . 5.910 4.993 4.993 4.993 . 0 0 "[ ]" 1 416 2 10 ALA H 2 10 ALA MB . . 3.550 2.164 2.164 2.164 . 0 0 "[ ]" 1 417 2 10 ALA H 2 11 VAL H . . 2.930 2.421 2.421 2.421 . 0 0 "[ ]" 1 418 2 10 ALA H 2 11 VAL HB . . 4.320 4.423 4.423 4.423 0.103 1 0 "[ ]" 1 419 2 10 ALA H 2 11 VAL MG2 . . 5.810 4.072 4.072 4.072 . 0 0 "[ ]" 1 420 2 10 ALA HA 2 11 VAL H . . 3.580 3.589 3.589 3.589 0.009 1 0 "[ ]" 1 421 2 10 ALA HA 2 13 ALA H . . 4.170 3.593 3.593 3.593 . 0 0 "[ ]" 1 422 2 10 ALA MB 2 11 VAL H . . 3.950 2.674 2.674 2.674 . 0 0 "[ ]" 1 423 2 11 VAL H 2 11 VAL HB . . 2.710 2.250 2.250 2.250 . 0 0 "[ ]" 1 424 2 11 VAL H 2 11 VAL MG1 . . 4.480 3.664 3.664 3.664 . 0 0 "[ ]" 1 425 2 11 VAL H 2 11 VAL MG2 . . 4.020 2.366 2.366 2.366 . 0 0 "[ ]" 1 426 2 11 VAL H 2 12 ALA H . . 2.930 2.495 2.495 2.495 . 0 0 "[ ]" 1 427 2 11 VAL H 2 14 MET ME . . 6.530 5.242 5.242 5.242 . 0 0 "[ ]" 1 428 2 11 VAL HA 2 13 ALA H . . 4.170 3.436 3.436 3.436 . 0 0 "[ ]" 1 429 2 11 VAL HA 2 14 MET H . . 3.550 3.602 3.602 3.602 0.052 1 0 "[ ]" 1 430 2 11 VAL HB 2 12 ALA H . . 3.360 3.008 3.008 3.008 . 0 0 "[ ]" 1 431 2 11 VAL MG1 2 12 ALA H . . 4.880 3.592 3.592 3.592 . 0 0 "[ ]" 1 432 2 11 VAL MG1 2 13 ALA H . . 6.530 4.445 4.445 4.445 . 0 0 "[ ]" 1 433 2 11 VAL MG2 2 12 ALA H . . 6.190 4.105 4.105 4.105 . 0 0 "[ ]" 1 434 2 12 ALA H 2 12 ALA MB . . 3.430 2.229 2.229 2.229 . 0 0 "[ ]" 1 435 2 12 ALA H 2 13 ALA H . . 3.170 2.566 2.566 2.566 . 0 0 "[ ]" 1 436 2 12 ALA HA 2 13 ALA H . . 3.640 3.207 3.207 3.207 . 0 0 "[ ]" 1 437 2 12 ALA HA 2 14 MET H . . 4.350 3.961 3.961 3.961 . 0 0 "[ ]" 1 438 2 13 ALA H 2 13 ALA MB . . 3.490 2.302 2.302 2.302 . 0 0 "[ ]" 1 439 2 13 ALA H 2 14 MET H . . 2.800 2.044 2.044 2.044 . 0 0 "[ ]" 1 440 2 13 ALA H 2 14 MET HB2 . . 4.510 4.304 4.304 4.304 . 0 0 "[ ]" 1 441 2 13 ALA HA 2 14 MET H . . 3.520 3.541 3.541 3.541 0.021 1 0 "[ ]" 1 442 2 14 MET H 2 14 MET HB2 . . 2.710 2.481 2.481 2.481 . 0 0 "[ ]" 1 443 2 14 MET H 2 14 MET HB3 . . 3.580 3.631 3.631 3.631 0.051 1 0 "[ ]" 1 444 2 14 MET H 2 14 MET HG2 . . 4.660 4.041 4.041 4.041 . 0 0 "[ ]" 1 445 2 14 MET H 2 14 MET HG3 . . 3.610 2.695 2.695 2.695 . 0 0 "[ ]" 1 446 2 14 MET H 2 14 MET ME . . 6.530 4.113 4.113 4.113 . 0 0 "[ ]" 1 447 2 14 MET H 2 15 SER H . . 4.850 4.526 4.526 4.526 . 0 0 "[ ]" 1 448 2 14 MET H 2 19 VAL MG2 . . 6.190 3.559 3.559 3.559 . 0 0 "[ ]" 1 449 2 14 MET HA 2 15 SER H . . 2.550 2.585 2.585 2.585 0.035 1 0 "[ ]" 1 450 2 14 MET HB2 2 15 SER H . . 3.450 3.436 3.436 3.436 . 0 0 "[ ]" 1 451 2 14 MET HB3 2 15 SER H . . 2.990 2.309 2.309 2.309 . 0 0 "[ ]" 1 452 2 14 MET HG2 2 15 SER H . . 4.320 4.216 4.216 4.216 . 0 0 "[ ]" 1 453 2 15 SER H 2 15 SER HB2 . . 3.330 3.416 3.416 3.416 0.086 1 0 "[ ]" 1 454 2 15 SER H 2 15 SER HB3 . . 3.110 3.098 3.098 3.098 . 0 0 "[ ]" 1 455 2 15 SER H 2 16 VAL H . . 4.880 4.620 4.620 4.620 . 0 0 "[ ]" 1 456 2 15 SER H 2 18 ASP HB2 . . 3.830 2.766 2.766 2.766 . 0 0 "[ ]" 1 457 2 15 SER H 2 18 ASP HB3 . . 3.170 3.031 3.031 3.031 . 0 0 "[ ]" 1 458 2 15 SER H 2 19 VAL MG2 . . 6.530 4.050 4.050 4.050 . 0 0 "[ ]" 1 459 2 15 SER HA 2 16 VAL H . . 2.550 2.537 2.537 2.537 . 0 0 "[ ]" 1 460 2 15 SER HB2 2 16 VAL H . . 3.110 2.488 2.488 2.488 . 0 0 "[ ]" 1 461 2 15 SER HB3 2 16 VAL H . . 3.420 3.345 3.345 3.345 . 0 0 "[ ]" 1 462 2 15 SER HB3 2 17 MET H . . 4.260 4.309 4.309 4.309 0.049 1 0 "[ ]" 1 463 2 16 VAL H 2 16 VAL HB . . 2.710 2.336 2.336 2.336 . 0 0 "[ ]" 1 464 2 16 VAL H 2 16 VAL MG1 . . 4.790 3.687 3.687 3.687 . 0 0 "[ ]" 1 465 2 16 VAL H 2 16 VAL MG2 . . 4.200 2.103 2.103 2.103 . 0 0 "[ ]" 1 466 2 16 VAL H 2 17 MET H . . 3.270 2.710 2.710 2.710 . 0 0 "[ ]" 1 467 2 16 VAL HA 2 19 VAL H . . 3.450 3.348 3.348 3.348 . 0 0 "[ ]" 1 468 2 16 VAL HB 2 17 MET H . . 2.930 2.620 2.620 2.620 . 0 0 "[ ]" 1 469 2 16 VAL MG1 2 17 MET H . . 4.980 3.319 3.319 3.319 . 0 0 "[ ]" 1 470 2 16 VAL MG2 2 17 MET H . . 6.530 3.930 3.930 3.930 . 0 0 "[ ]" 1 471 2 16 VAL MG2 2 18 ASP H . . 6.530 5.484 5.484 5.484 . 0 0 "[ ]" 1 472 2 17 MET H 2 17 MET HA . . 2.830 2.750 2.750 2.750 . 0 0 "[ ]" 1 473 2 17 MET H 2 17 MET HB2 . . 2.710 2.115 2.115 2.115 . 0 0 "[ ]" 1 474 2 17 MET H 2 17 MET HG2 . . 5.500 2.794 2.794 2.794 . 0 0 "[ ]" 1 475 2 17 MET H 2 17 MET HG3 . . 3.700 3.657 3.657 3.657 . 0 0 "[ ]" 1 476 2 17 MET H 2 18 ASP H . . 2.930 2.782 2.782 2.782 . 0 0 "[ ]" 1 477 2 17 MET HA 2 20 VAL H . . 3.830 3.227 3.227 3.227 . 0 0 "[ ]" 1 478 2 17 MET HB3 2 18 ASP H . . 3.110 3.200 3.200 3.200 0.090 1 0 "[ ]" 1 479 2 18 ASP H 2 18 ASP HB2 . . 3.240 2.089 2.089 2.089 . 0 0 "[ ]" 1 480 2 18 ASP H 2 18 ASP HB3 . . 2.930 2.915 2.915 2.915 . 0 0 "[ ]" 1 481 2 18 ASP H 2 19 VAL H . . 3.270 2.580 2.580 2.580 . 0 0 "[ ]" 1 482 2 18 ASP H 2 19 VAL MG2 . . 6.220 4.177 4.177 4.177 . 0 0 "[ ]" 1 483 2 18 ASP HA 2 21 GLU H . . 4.040 3.552 3.552 3.552 . 0 0 "[ ]" 1 484 2 18 ASP HB2 2 19 VAL H . . 4.290 3.645 3.645 3.645 . 0 0 "[ ]" 1 485 2 18 ASP HB3 2 19 VAL H . . 3.480 2.991 2.991 2.991 . 0 0 "[ ]" 1 486 2 19 VAL H 2 19 VAL HB . . 2.680 2.203 2.203 2.203 . 0 0 "[ ]" 1 487 2 19 VAL H 2 19 VAL MG2 . . 4.170 2.491 2.491 2.491 . 0 0 "[ ]" 1 488 2 19 VAL H 2 20 VAL H . . 3.300 2.443 2.443 2.443 . 0 0 "[ ]" 1 489 2 19 VAL H 2 20 VAL MG1 . . 6.530 5.549 5.549 5.549 . 0 0 "[ ]" 1 490 2 19 VAL H 2 20 VAL MG2 . . 6.340 4.133 4.133 4.133 . 0 0 "[ ]" 1 491 2 19 VAL HA 2 22 LEU H . . 3.580 3.046 3.046 3.046 . 0 0 "[ ]" 1 492 2 19 VAL HA 2 23 ILE H . . 3.980 4.053 4.053 4.053 0.073 1 0 "[ ]" 1 493 2 19 VAL HB 2 20 VAL H . . 2.990 2.774 2.774 2.774 . 0 0 "[ ]" 1 494 2 19 VAL MG2 2 20 VAL H . . 5.630 4.065 4.065 4.065 . 0 0 "[ ]" 1 495 2 20 VAL H 2 20 VAL HB . . 2.740 2.239 2.239 2.239 . 0 0 "[ ]" 1 496 2 20 VAL H 2 20 VAL MG1 . . 4.570 3.656 3.656 3.656 . 0 0 "[ ]" 1 497 2 20 VAL H 2 20 VAL MG2 . . 3.990 2.291 2.291 2.291 . 0 0 "[ ]" 1 498 2 20 VAL H 2 21 GLU H . . 3.140 2.781 2.781 2.781 . 0 0 "[ ]" 1 499 2 20 VAL H 2 23 ILE HB . . 5.250 5.293 5.293 5.293 0.043 1 0 "[ ]" 1 500 2 20 VAL HA 2 23 ILE H . . 3.920 3.777 3.777 3.777 . 0 0 "[ ]" 1 501 2 20 VAL HB 2 21 GLU H . . 2.900 2.775 2.775 2.775 . 0 0 "[ ]" 1 502 2 20 VAL MG1 2 21 GLU H . . 5.320 3.194 3.194 3.194 . 0 0 "[ ]" 1 503 2 20 VAL MG2 2 21 GLU H . . 5.470 4.084 4.084 4.084 . 0 0 "[ ]" 1 504 2 21 GLU H 2 21 GLU HB2 . . 2.900 2.273 2.273 2.273 . 0 0 "[ ]" 1 505 2 21 GLU H 2 21 GLU HB3 . . 3.420 3.511 3.511 3.511 0.091 1 0 "[ ]" 1 506 2 21 GLU H 2 22 LEU H . . 2.860 2.689 2.689 2.689 . 0 0 "[ ]" 1 507 2 21 GLU H 2 22 LEU QD . . 7.940 5.458 5.458 5.458 . 0 0 "[ ]" 1 508 2 21 GLU HA 2 22 LEU H . . 3.580 3.612 3.612 3.612 0.032 1 0 "[ ]" 1 509 2 21 GLU HA 2 24 SER H . . 3.670 3.431 3.431 3.431 . 0 0 "[ ]" 1 510 2 21 GLU HB2 2 22 LEU H . . 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 1 511 2 21 GLU HB3 2 22 LEU H . . 3.580 3.481 3.481 3.481 . 0 0 "[ ]" 1 512 2 22 LEU H 2 22 LEU HA . . 2.830 2.754 2.754 2.754 . 0 0 "[ ]" 1 513 2 22 LEU H 2 22 LEU HB2 . . 2.930 2.246 2.246 2.246 . 0 0 "[ ]" 1 514 2 22 LEU H 2 22 LEU HB3 . . 2.960 2.635 2.635 2.635 . 0 0 "[ ]" 1 515 2 22 LEU H 2 22 LEU HG . . 5.130 4.508 4.508 4.508 . 0 0 "[ ]" 1 516 2 22 LEU H 2 22 LEU MD1 . . 5.780 4.170 4.170 4.170 . 0 0 "[ ]" 1 517 2 22 LEU H 2 22 LEU MD2 . . 5.780 3.753 3.753 3.753 . 0 0 "[ ]" 1 518 2 22 LEU H 2 23 ILE H . . 3.080 3.029 3.029 3.029 . 0 0 "[ ]" 1 519 2 22 LEU HA 2 25 ALA H . . 4.070 3.461 3.461 3.461 . 0 0 "[ ]" 1 520 2 22 LEU HB2 2 23 ILE H . . 3.610 3.586 3.586 3.586 . 0 0 "[ ]" 1 521 2 22 LEU HG 2 23 ILE H . . 4.260 4.357 4.357 4.357 0.097 1 0 "[ ]" 1 522 2 22 LEU QD 2 23 ILE H . . 7.260 2.811 2.811 2.811 . 0 0 "[ ]" 1 523 2 22 LEU QD 2 25 ALA H . . 8.040 4.021 4.021 4.021 . 0 0 "[ ]" 1 524 2 23 ILE H 2 23 ILE HB . . 2.490 2.189 2.189 2.189 . 0 0 "[ ]" 1 525 2 23 ILE H 2 23 ILE MG . . 4.730 3.623 3.623 3.623 . 0 0 "[ ]" 1 526 2 23 ILE H 2 23 ILE HG12 . . 3.730 3.851 3.851 3.851 0.121 1 0 "[ ]" 1 527 2 23 ILE H 2 23 ILE MD . . 5.230 1.929 1.929 1.929 . 0 0 "[ ]" 1 528 2 23 ILE H 2 24 SER H . . 3.080 2.800 2.800 2.800 . 0 0 "[ ]" 1 529 2 23 ILE HA 2 26 MET H . . 3.920 3.717 3.717 3.717 . 0 0 "[ ]" 1 530 2 23 ILE HB 2 24 SER H . . 2.930 2.941 2.941 2.941 0.011 1 0 "[ ]" 1 531 2 23 ILE MG 2 24 SER H . . 4.920 3.104 3.104 3.104 . 0 0 "[ ]" 1 532 2 23 ILE MG 2 27 GLU H . . 6.500 3.898 3.898 3.898 . 0 0 "[ ]" 1 533 2 23 ILE HG13 2 24 SER H . . 5.310 5.141 5.141 5.141 . 0 0 "[ ]" 1 534 2 24 SER H 2 24 SER HB2 . . 3.450 2.188 2.188 2.188 . 0 0 "[ ]" 1 535 2 24 SER H 2 24 SER HB3 . . 3.450 3.473 3.473 3.473 0.023 1 0 "[ ]" 1 536 2 24 SER H 2 24 SER QB . . 3.030 2.166 2.166 2.166 . 0 0 "[ ]" 1 537 2 24 SER H 2 25 ALA H . . 2.960 2.666 2.666 2.666 . 0 0 "[ ]" 1 538 2 24 SER HA 2 25 ALA H . . 3.550 3.599 3.599 3.599 0.049 1 0 "[ ]" 1 539 2 24 SER HA 2 27 GLU H . . 3.760 3.435 3.435 3.435 . 0 0 "[ ]" 1 540 2 24 SER HB2 2 25 ALA H . . 3.360 2.852 2.852 2.852 . 0 0 "[ ]" 1 541 2 24 SER HB3 2 25 ALA H . . 3.360 3.444 3.444 3.444 0.084 1 0 "[ ]" 1 542 2 24 SER QB 2 25 ALA H . . 3.070 2.722 2.722 2.722 . 0 0 "[ ]" 1 543 2 25 ALA H 2 25 ALA HA . . 2.770 2.761 2.761 2.761 . 0 0 "[ ]" 1 544 2 25 ALA H 2 25 ALA MB . . 3.640 2.011 2.011 2.011 . 0 0 "[ ]" 1 545 2 25 ALA H 2 26 MET H . . 3.020 2.881 2.881 2.881 . 0 0 "[ ]" 1 546 2 25 ALA HA 2 28 GLU H . . 3.610 3.698 3.698 3.698 0.088 1 0 "[ ]" 1 547 2 25 ALA MB 2 26 MET H . . 3.950 2.483 2.483 2.483 . 0 0 "[ ]" 1 548 2 25 ALA MB 2 28 GLU H . . 6.530 4.740 4.740 4.740 . 0 0 "[ ]" 1 549 2 26 MET H 2 26 MET HB2 . . 3.240 2.326 2.326 2.326 . 0 0 "[ ]" 1 550 2 26 MET H 2 26 MET HG2 . . 3.520 3.271 3.271 3.271 . 0 0 "[ ]" 1 551 2 26 MET H 2 26 MET HG3 . . 3.170 2.319 2.319 2.319 . 0 0 "[ ]" 1 552 2 26 MET H 2 26 MET ME . . 6.530 4.057 4.057 4.057 . 0 0 "[ ]" 1 553 2 26 MET H 2 27 GLU H . . 2.860 2.854 2.854 2.854 . 0 0 "[ ]" 1 554 2 26 MET HA 2 29 LYS H . . 3.550 3.359 3.359 3.359 . 0 0 "[ ]" 1 555 2 26 MET HA 2 30 PHE H . . 3.730 3.158 3.158 3.158 . 0 0 "[ ]" 1 556 2 26 MET HA 2 30 PHE QD . . 7.620 2.449 2.449 2.449 . 0 0 "[ ]" 1 557 2 26 MET HA 2 30 PHE QE . . 7.620 3.186 3.186 3.186 . 0 0 "[ ]" 1 558 2 26 MET HB2 2 27 GLU H . . 3.480 2.521 2.521 2.521 . 0 0 "[ ]" 1 559 2 26 MET HG2 2 30 PHE H . . 4.850 4.966 4.966 4.966 0.116 1 0 "[ ]" 1 560 2 26 MET HG2 2 30 PHE QD . . 7.620 3.160 3.160 3.160 . 0 0 "[ ]" 1 561 2 26 MET HG2 2 30 PHE QE . . 7.620 2.118 2.118 2.118 . 0 0 "[ ]" 1 562 2 26 MET HG3 2 27 GLU H . . 4.350 4.470 4.470 4.470 0.120 1 0 "[ ]" 1 563 2 26 MET ME 2 30 PHE QD . . 8.650 5.124 5.124 5.124 . 0 0 "[ ]" 1 564 2 26 MET ME 2 30 PHE QE . . 8.650 3.878 3.878 3.878 . 0 0 "[ ]" 1 565 2 26 MET ME 2 30 PHE HZ . . 6.530 5.204 5.204 5.204 . 0 0 "[ ]" 1 566 2 27 GLU H 2 27 GLU HB2 . . 3.020 2.262 2.262 2.262 . 0 0 "[ ]" 1 567 2 27 GLU H 2 27 GLU HB3 . . 3.420 3.509 3.509 3.509 0.089 1 0 "[ ]" 1 568 2 27 GLU H 2 27 GLU HG2 . . 5.500 3.627 3.627 3.627 . 0 0 "[ ]" 1 569 2 27 GLU H 2 27 GLU HG3 . . 5.500 2.566 2.566 2.566 . 0 0 "[ ]" 1 570 2 27 GLU H 2 27 GLU QG . . 4.760 2.516 2.516 2.516 . 0 0 "[ ]" 1 571 2 27 GLU H 2 28 GLU H . . 3.240 2.950 2.950 2.950 . 0 0 "[ ]" 1 572 2 27 GLU HA 2 30 PHE H . . 4.510 4.487 4.487 4.487 . 0 0 "[ ]" 1 573 2 27 GLU HA 2 30 PHE QD . . 7.620 4.595 4.595 4.595 . 0 0 "[ ]" 1 574 2 27 GLU HB2 2 28 GLU H . . 3.390 2.730 2.730 2.730 . 0 0 "[ ]" 1 575 2 27 GLU HB3 2 28 GLU H . . 3.240 3.281 3.281 3.281 0.041 1 0 "[ ]" 1 576 2 27 GLU QG 2 28 GLU H . . 6.380 4.339 4.339 4.339 . 0 0 "[ ]" 1 577 2 28 GLU H 2 28 GLU HA . . 2.900 2.830 2.830 2.830 . 0 0 "[ ]" 1 578 2 28 GLU H 2 28 GLU HB2 . . 2.710 2.397 2.397 2.397 . 0 0 "[ ]" 1 579 2 28 GLU H 2 28 GLU HB3 . . 2.800 2.624 2.624 2.624 . 0 0 "[ ]" 1 580 2 28 GLU H 2 28 GLU HG2 . . 4.450 4.444 4.444 4.444 . 0 0 "[ ]" 1 581 2 28 GLU H 2 28 GLU HG3 . . 4.450 4.374 4.374 4.374 . 0 0 "[ ]" 1 582 2 28 GLU H 2 28 GLU QG . . 4.240 3.927 3.927 3.927 . 0 0 "[ ]" 1 583 2 28 GLU H 2 29 LYS H . . 2.960 2.537 2.537 2.537 . 0 0 "[ ]" 1 584 2 28 GLU HA 2 29 LYS H . . 3.640 3.622 3.622 3.622 . 0 0 "[ ]" 1 585 2 28 GLU HA 2 31 GLY H . . 3.860 3.378 3.378 3.378 . 0 0 "[ ]" 1 586 2 28 GLU HB3 2 29 LYS H . . 2.860 2.528 2.528 2.528 . 0 0 "[ ]" 1 587 2 28 GLU QG 2 29 LYS H . . 6.380 3.927 3.927 3.927 . 0 0 "[ ]" 1 588 2 29 LYS H 2 29 LYS HA . . 2.930 2.743 2.743 2.743 . 0 0 "[ ]" 1 589 2 29 LYS H 2 29 LYS HB2 . . 2.930 2.506 2.506 2.506 . 0 0 "[ ]" 1 590 2 29 LYS H 2 29 LYS HB3 . . 2.830 2.415 2.415 2.415 . 0 0 "[ ]" 1 591 2 29 LYS H 2 29 LYS HG2 . . 5.500 4.558 4.558 4.558 . 0 0 "[ ]" 1 592 2 29 LYS H 2 29 LYS HG3 . . 5.500 4.353 4.353 4.353 . 0 0 "[ ]" 1 593 2 29 LYS H 2 30 PHE H . . 3.210 3.068 3.068 3.068 . 0 0 "[ ]" 1 594 2 29 LYS HA 2 30 PHE H . . 3.580 3.639 3.639 3.639 0.059 1 0 "[ ]" 1 595 2 29 LYS HB2 2 30 PHE H . . 3.830 3.763 3.763 3.763 . 0 0 "[ ]" 1 596 2 29 LYS HB2 2 30 PHE QD . . 7.620 4.826 4.826 4.826 . 0 0 "[ ]" 1 597 2 29 LYS HB2 2 30 PHE QE . . 7.620 5.321 5.321 5.321 . 0 0 "[ ]" 1 598 2 29 LYS HB3 2 30 PHE H . . 3.610 2.283 2.283 2.283 . 0 0 "[ ]" 1 599 2 29 LYS HB3 2 30 PHE QD . . 7.620 3.153 3.153 3.153 . 0 0 "[ ]" 1 600 2 29 LYS HB3 2 30 PHE QE . . 7.620 4.003 4.003 4.003 . 0 0 "[ ]" 1 601 2 29 LYS QG 2 30 PHE QD . . 8.500 3.596 3.596 3.596 . 0 0 "[ ]" 1 602 2 29 LYS QG 2 30 PHE QE . . 8.500 3.647 3.647 3.647 . 0 0 "[ ]" 1 603 2 29 LYS HE2 2 30 PHE QE . . 7.620 5.163 5.163 5.163 . 0 0 "[ ]" 1 604 2 30 PHE H 2 30 PHE HB2 . . 3.050 2.276 2.276 2.276 . 0 0 "[ ]" 1 605 2 30 PHE H 2 30 PHE HB3 . . 3.450 3.464 3.464 3.464 0.014 1 0 "[ ]" 1 606 2 30 PHE H 2 31 GLY H . . 2.860 2.610 2.610 2.610 . 0 0 "[ ]" 1 607 2 30 PHE HA 2 31 GLY H . . 3.360 3.361 3.361 3.361 0.001 1 0 "[ ]" 1 608 2 30 PHE HB2 2 31 GLY H . . 3.860 3.404 3.404 3.404 . 0 0 "[ ]" 1 609 2 30 PHE HB3 2 31 GLY H . . 4.790 4.220 4.220 4.220 . 0 0 "[ ]" 1 610 2 30 PHE QD 2 32 VAL HB . . 7.620 4.876 4.876 4.876 . 0 0 "[ ]" 1 611 2 30 PHE QE 2 32 VAL HB . . 7.620 6.792 6.792 6.792 . 0 0 "[ ]" 1 612 2 31 GLY H 2 32 VAL H . . 3.050 3.022 3.022 3.022 . 0 0 "[ ]" 1 613 2 31 GLY H 2 32 VAL QG . . 7.620 4.033 4.033 4.033 . 0 0 "[ ]" 1 614 2 32 VAL H 2 32 VAL HB . . 3.270 2.758 2.758 2.758 . 0 0 "[ ]" 1 615 2 32 VAL H 2 33 SER H . . 3.330 3.137 3.137 3.137 . 0 0 "[ ]" 1 616 2 32 VAL HA 2 33 SER H . . 2.830 2.809 2.809 2.809 . 0 0 "[ ]" 1 617 2 32 VAL QG 2 33 SER H . . 6.820 3.540 3.540 3.540 . 0 0 "[ ]" 1 618 2 33 SER H 2 33 SER HA . . 2.900 2.879 2.879 2.879 . 0 0 "[ ]" 1 619 2 33 SER H 2 33 SER QB . . 3.830 2.818 2.818 2.818 . 0 0 "[ ]" 1 620 2 33 SER H 2 34 ALA H . . 4.690 2.977 2.977 2.977 . 0 0 "[ ]" 1 621 2 33 SER HA 2 34 ALA H . . 2.650 2.561 2.561 2.561 . 0 0 "[ ]" 1 622 2 33 SER QB 2 34 ALA H . . 4.550 3.968 3.968 3.968 . 0 0 "[ ]" 1 623 2 34 ALA H 2 35 ALA H . . 3.360 2.988 2.988 2.988 . 0 0 "[ ]" 1 624 2 34 ALA HA 2 35 ALA H . . 2.830 2.353 2.353 2.353 . 0 0 "[ ]" 1 625 2 35 ALA H 2 35 ALA HA . . 2.860 2.922 2.922 2.922 0.062 1 0 "[ ]" 1 626 2 35 ALA H 2 36 ALA H . . 3.890 3.179 3.179 3.179 . 0 0 "[ ]" 1 627 2 35 ALA HA 2 36 ALA H . . 2.740 2.512 2.512 2.512 . 0 0 "[ ]" 1 628 2 35 ALA MB 2 36 ALA H . . 4.420 3.782 3.782 3.782 . 0 0 "[ ]" 1 629 2 36 ALA H 2 36 ALA HA . . 2.650 2.216 2.216 2.216 . 0 0 "[ ]" 1 630 2 36 ALA HA 2 37 ALA H . . 2.620 2.646 2.646 2.646 0.026 1 0 "[ ]" 1 631 1 7 ILE H 1 7 ILE MG . . 4.700 3.630 3.630 3.630 . 0 0 "[ ]" 1 632 1 7 ILE H 1 7 ILE QG . . 4.390 2.564 2.564 2.564 . 0 0 "[ ]" 1 633 1 7 ILE H 1 7 ILE MD . . 4.450 3.420 3.420 3.420 . 0 0 "[ ]" 1 634 1 7 ILE MG 1 8 ILE H . . 5.720 3.531 3.531 3.531 . 0 0 "[ ]" 1 635 1 7 ILE MG 1 10 ALA H . . 6.000 4.307 4.307 4.307 . 0 0 "[ ]" 1 636 1 7 ILE MD 1 8 ILE H . . 6.530 4.857 4.857 4.857 . 0 0 "[ ]" 1 637 1 7 ILE MD 1 10 ALA H . . 5.540 6.347 6.347 6.347 0.807 1 1 [+] 1 638 1 7 ILE MD 1 11 VAL H . . 6.530 6.883 6.883 6.883 0.353 1 0 "[ ]" 1 639 1 7 ILE HA 1 10 ALA H . . 4.450 3.290 3.290 3.290 . 0 0 "[ ]" 1 640 1 7 ILE HA 1 11 VAL H . . 4.760 4.459 4.459 4.459 . 0 0 "[ ]" 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 668 _Distance_constraint_stats_list.Viol_count 42 _Distance_constraint_stats_list.Viol_total 2.099 _Distance_constraint_stats_list.Viol_max 0.134 _Distance_constraint_stats_list.Viol_rms 0.0152 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0031 _Distance_constraint_stats_list.Viol_average_violations_only 0.0500 _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 47 ALA 0.175 0.134 1 0 "[ ]" 1 48 ALA 0.048 0.041 1 0 "[ ]" 1 49 GLU 0.007 0.007 1 0 "[ ]" 1 50 GLU 0.007 0.007 1 0 "[ ]" 1 51 LYS 0.073 0.073 1 0 "[ ]" 1 52 THR 0.085 0.054 1 0 "[ ]" 1 53 GLU 0.105 0.073 1 0 "[ ]" 1 54 PHE 0.054 0.054 1 0 "[ ]" 1 55 ASP 0.000 0.000 . 0 "[ ]" 1 56 VAL 0.000 0.000 . 0 "[ ]" 1 57 ILE 0.000 0.000 . 0 "[ ]" 1 58 LEU 0.054 0.031 1 0 "[ ]" 1 59 LYS 0.150 0.104 1 0 "[ ]" 1 60 ALA 0.059 0.031 1 0 "[ ]" 1 61 ALA 0.097 0.079 1 0 "[ ]" 1 62 GLY 0.006 0.006 1 0 "[ ]" 1 63 ALA 0.079 0.079 1 0 "[ ]" 1 64 ASN 0.111 0.079 1 0 "[ ]" 1 65 LYS 0.216 0.108 1 0 "[ ]" 1 66 VAL 0.108 0.108 1 0 "[ ]" 1 67 ALA 0.000 0.000 . 0 "[ ]" 1 68 VAL 0.030 0.030 1 0 "[ ]" 1 69 ILE 0.038 0.030 1 0 "[ ]" 1 70 LYS 0.008 0.008 1 0 "[ ]" 1 71 ALA 0.000 0.000 . 0 "[ ]" 1 72 VAL 0.000 0.000 . 0 "[ ]" 1 73 ARG 0.000 0.000 . 0 "[ ]" 1 74 GLY 0.000 0.000 . 0 "[ ]" 1 75 ALA 0.000 0.000 . 0 "[ ]" 1 76 THR 0.004 0.004 1 0 "[ ]" 1 77 GLY 0.004 0.004 1 0 "[ ]" 1 78 LEU 0.083 0.083 1 0 "[ ]" 1 79 GLY 0.070 0.070 1 0 "[ ]" 1 80 LEU 0.164 0.094 1 0 "[ ]" 1 81 LYS 0.096 0.094 1 0 "[ ]" 1 82 GLU 0.165 0.083 1 0 "[ ]" 1 83 ALA 0.000 0.000 . 0 "[ ]" 1 84 LYS 0.032 0.032 1 0 "[ ]" 1 85 ASP 0.080 0.080 1 0 "[ ]" 1 86 LEU 0.000 0.000 . 0 "[ ]" 1 87 VAL 0.032 0.032 1 0 "[ ]" 1 88 GLU 0.005 0.005 1 0 "[ ]" 1 89 SER 0.005 0.005 1 0 "[ ]" 1 90 ALA 0.001 0.001 1 0 "[ ]" 1 91 PRO 0.000 0.000 . 0 "[ ]" 1 92 ALA 0.104 0.104 1 0 "[ ]" 1 93 ALA 0.072 0.072 1 0 "[ ]" 1 94 LEU 0.000 0.000 . 0 "[ ]" 1 95 LYS 0.161 0.090 1 0 "[ ]" 1 96 GLU 0.179 0.090 1 0 "[ ]" 1 97 GLY 0.030 0.030 1 0 "[ ]" 1 98 VAL 0.000 0.000 . 0 "[ ]" 1 99 SER 0.076 0.076 1 0 "[ ]" 1 100 LYS 0.000 0.000 . 0 "[ ]" 1 101 ASP 0.040 0.040 1 0 "[ ]" 1 102 ASP 0.076 0.076 1 0 "[ ]" 1 103 ALA 0.000 0.000 . 0 "[ ]" 1 104 GLU 0.000 0.000 . 0 "[ ]" 1 105 ALA 0.111 0.111 1 0 "[ ]" 1 106 LEU 0.000 0.000 . 0 "[ ]" 1 107 LYS 0.000 0.000 . 0 "[ ]" 1 108 LYS 0.111 0.111 1 0 "[ ]" 1 109 ALA 0.000 0.000 . 0 "[ ]" 1 110 LEU 0.139 0.120 1 0 "[ ]" 1 111 GLU 0.000 0.000 . 0 "[ ]" 1 112 GLU 0.000 0.000 . 0 "[ ]" 1 113 ALA 0.024 0.024 1 0 "[ ]" 1 114 GLY 0.000 0.000 . 0 "[ ]" 1 115 ALA 0.024 0.024 1 0 "[ ]" 1 116 GLU 0.106 0.079 1 0 "[ ]" 1 117 VAL 0.027 0.027 1 0 "[ ]" 1 118 GLU 0.045 0.045 1 0 "[ ]" 1 119 VAL 0.091 0.046 1 0 "[ ]" 1 120 LYS 0.046 0.046 1 0 "[ ]" 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 47 ALA H 1 47 ALA HA . . 2.600 2.734 2.734 2.734 0.134 1 0 "[ ]" 2 2 1 47 ALA HA 1 48 ALA H . . 2.570 2.611 2.611 2.611 0.041 1 0 "[ ]" 2 3 1 47 ALA MB 1 49 GLU H . . 5.570 4.657 4.657 4.657 . 0 0 "[ ]" 2 4 1 48 ALA H 1 48 ALA HA . . 2.910 2.211 2.211 2.211 . 0 0 "[ ]" 2 5 1 48 ALA HA 1 49 GLU H . . 2.570 2.577 2.577 2.577 0.007 1 0 "[ ]" 2 6 1 49 GLU H 1 49 GLU HB2 . . 3.050 2.285 2.285 2.285 . 0 0 "[ ]" 2 7 1 49 GLU H 1 49 GLU HB3 . . 3.640 3.539 3.539 3.539 . 0 0 "[ ]" 2 8 1 49 GLU HA 1 50 GLU H . . 2.570 2.423 2.423 2.423 . 0 0 "[ ]" 2 9 1 49 GLU HB3 1 50 GLU H . . 3.510 2.656 2.656 2.656 . 0 0 "[ ]" 2 10 1 50 GLU H 1 50 GLU HB2 . . 2.870 2.150 2.150 2.150 . 0 0 "[ ]" 2 11 1 50 GLU H 1 50 GLU HB3 . . 3.330 3.337 3.337 3.337 0.007 1 0 "[ ]" 2 12 1 50 GLU HA 1 51 LYS H . . 2.570 2.566 2.566 2.566 . 0 0 "[ ]" 2 13 1 50 GLU HB2 1 51 LYS H . . 4.690 3.912 3.912 3.912 . 0 0 "[ ]" 2 14 1 50 GLU HB3 1 51 LYS H . . 4.320 2.501 2.501 2.501 . 0 0 "[ ]" 2 15 1 50 GLU QG 1 51 LYS H . . 8.100 3.683 3.683 3.683 . 0 0 "[ ]" 2 16 1 51 LYS H 1 51 LYS HG2 . . 5.740 4.521 4.521 4.521 . 0 0 "[ ]" 2 17 1 51 LYS H 1 51 LYS HG3 . . 5.740 4.595 4.595 4.595 . 0 0 "[ ]" 2 18 1 51 LYS HA 1 52 THR H . . 2.570 2.465 2.465 2.465 . 0 0 "[ ]" 2 19 1 51 LYS HA 1 53 GLU H . . 3.360 3.433 3.433 3.433 0.073 1 0 "[ ]" 2 20 1 51 LYS QB 1 52 THR H . . 5.050 4.128 4.128 4.128 . 0 0 "[ ]" 2 21 1 51 LYS QB 1 54 PHE QD . . 8.500 5.919 5.919 5.919 . 0 0 "[ ]" 2 22 1 51 LYS QB 1 54 PHE QE . . 8.500 4.272 4.272 4.272 . 0 0 "[ ]" 2 23 1 51 LYS QB 1 54 PHE HZ . . 6.380 5.169 5.169 5.169 . 0 0 "[ ]" 2 24 1 51 LYS QG 1 52 THR H . . 7.620 3.937 3.937 3.937 . 0 0 "[ ]" 2 25 1 51 LYS QG 1 53 GLU H . . 6.480 3.507 3.507 3.507 . 0 0 "[ ]" 2 26 1 51 LYS QG 1 54 PHE QE . . 8.500 2.678 2.678 2.678 . 0 0 "[ ]" 2 27 1 51 LYS QG 1 54 PHE HZ . . 6.380 3.354 3.354 3.354 . 0 0 "[ ]" 2 28 1 52 THR H 1 52 THR HG1 . . 2.800 2.688 2.688 2.688 . 0 0 "[ ]" 2 29 1 52 THR H 1 53 GLU H . . 2.570 2.602 2.602 2.602 0.032 1 0 "[ ]" 2 30 1 52 THR HA 1 53 GLU H . . 3.400 2.857 2.857 2.857 . 0 0 "[ ]" 2 31 1 52 THR HA 1 54 PHE QD . . 7.620 2.970 2.970 2.970 . 0 0 "[ ]" 2 32 1 52 THR HA 1 54 PHE QE . . 7.620 3.104 3.104 3.104 . 0 0 "[ ]" 2 33 1 52 THR HA 1 54 PHE HZ . . 5.500 5.554 5.554 5.554 0.054 1 0 "[ ]" 2 34 1 52 THR HB 1 53 GLU H . . 5.000 4.573 4.573 4.573 . 0 0 "[ ]" 2 35 1 52 THR MG 1 53 GLU H . . 5.930 4.392 4.392 4.392 . 0 0 "[ ]" 2 36 1 53 GLU H 1 54 PHE H . . 4.870 3.645 3.645 3.645 . 0 0 "[ ]" 2 37 1 53 GLU HA 1 54 PHE H . . 2.570 2.372 2.372 2.372 . 0 0 "[ ]" 2 38 1 53 GLU HA 1 54 PHE QD . . 7.620 3.917 3.917 3.917 . 0 0 "[ ]" 2 39 1 53 GLU HA 1 98 VAL H . . 3.910 3.518 3.518 3.518 . 0 0 "[ ]" 2 40 1 53 GLU QB 1 97 GLY H . . 8.100 4.309 4.309 4.309 . 0 0 "[ ]" 2 41 1 53 GLU QB 1 98 VAL H . . 7.500 4.743 4.743 4.743 . 0 0 "[ ]" 2 42 1 53 GLU QG 1 54 PHE H . . 7.480 4.405 4.405 4.405 . 0 0 "[ ]" 2 43 1 54 PHE H 1 54 PHE HB2 . . 3.210 2.201 2.201 2.201 . 0 0 "[ ]" 2 44 1 54 PHE H 1 54 PHE HB3 . . 4.080 3.480 3.480 3.480 . 0 0 "[ ]" 2 45 1 54 PHE H 1 55 ASP H . . 4.570 4.552 4.552 4.552 . 0 0 "[ ]" 2 46 1 54 PHE H 1 97 GLY HA2 . . 5.340 3.399 3.399 3.399 . 0 0 "[ ]" 2 47 1 54 PHE H 1 97 GLY HA3 . . 6.740 4.982 4.982 4.982 . 0 0 "[ ]" 2 48 1 54 PHE H 1 98 VAL H . . 2.980 2.743 2.743 2.743 . 0 0 "[ ]" 2 49 1 54 PHE H 1 98 VAL MG2 . . 5.340 3.410 3.410 3.410 . 0 0 "[ ]" 2 50 1 54 PHE H 1 103 ALA MB . . 8.340 4.226 4.226 4.226 . 0 0 "[ ]" 2 51 1 54 PHE HA 1 55 ASP H . . 2.570 2.300 2.300 2.300 . 0 0 "[ ]" 2 52 1 54 PHE HB2 1 55 ASP H . . 4.200 4.182 4.182 4.182 . 0 0 "[ ]" 2 53 1 54 PHE HB2 1 98 VAL H . . 6.740 3.814 3.814 3.814 . 0 0 "[ ]" 2 54 1 54 PHE HB3 1 55 ASP H . . 3.210 3.026 3.026 3.026 . 0 0 "[ ]" 2 55 1 54 PHE HB3 1 120 LYS H . . 6.740 4.735 4.735 4.735 . 0 0 "[ ]" 2 56 1 54 PHE QD 1 55 ASP H . . 10.140 3.925 3.925 3.925 . 0 0 "[ ]" 2 57 1 54 PHE QD 1 98 VAL H . . 10.140 5.069 5.069 5.069 . 0 0 "[ ]" 2 58 1 54 PHE QD 1 99 SER HA . . 7.620 4.082 4.082 4.082 . 0 0 "[ ]" 2 59 1 54 PHE QD 1 100 LYS H . . 10.140 3.408 3.408 3.408 . 0 0 "[ ]" 2 60 1 54 PHE QD 1 100 LYS HA . . 7.620 3.278 3.278 3.278 . 0 0 "[ ]" 2 61 1 54 PHE QD 1 100 LYS QB . . 8.500 2.861 2.861 2.861 . 0 0 "[ ]" 2 62 1 54 PHE QD 1 100 LYS QG . . 8.500 3.568 3.568 3.568 . 0 0 "[ ]" 2 63 1 54 PHE QD 1 103 ALA MB . . 8.650 3.666 3.666 3.666 . 0 0 "[ ]" 2 64 1 54 PHE QD 1 119 VAL QG . . 9.740 2.391 2.391 2.391 . 0 0 "[ ]" 2 65 1 54 PHE QD 1 120 LYS HA . . 7.620 5.224 5.224 5.224 . 0 0 "[ ]" 2 66 1 54 PHE QE 1 100 LYS H . . 9.940 4.192 4.192 4.192 . 0 0 "[ ]" 2 67 1 54 PHE QE 1 100 LYS HA . . 7.620 4.302 4.302 4.302 . 0 0 "[ ]" 2 68 1 54 PHE QE 1 100 LYS QB . . 8.500 2.550 2.550 2.550 . 0 0 "[ ]" 2 69 1 54 PHE QE 1 100 LYS QG . . 8.500 3.109 3.109 3.109 . 0 0 "[ ]" 2 70 1 54 PHE QE 1 100 LYS QE . . 8.500 4.318 4.318 4.318 . 0 0 "[ ]" 2 71 1 54 PHE QE 1 119 VAL QG . . 9.740 3.424 3.424 3.424 . 0 0 "[ ]" 2 72 1 54 PHE HZ 1 100 LYS H . . 6.740 6.095 6.095 6.095 . 0 0 "[ ]" 2 73 1 54 PHE HZ 1 100 LYS HA . . 5.500 5.433 5.433 5.433 . 0 0 "[ ]" 2 74 1 54 PHE HZ 1 100 LYS QB . . 6.380 3.757 3.757 3.757 . 0 0 "[ ]" 2 75 1 54 PHE HZ 1 100 LYS HG2 . . 5.500 4.520 4.520 4.520 . 0 0 "[ ]" 2 76 1 54 PHE HZ 1 100 LYS HG3 . . 5.500 3.139 3.139 3.139 . 0 0 "[ ]" 2 77 1 54 PHE HZ 1 100 LYS QE . . 6.380 4.474 4.474 4.474 . 0 0 "[ ]" 2 78 1 55 ASP H 1 56 VAL H . . 5.220 4.435 4.435 4.435 . 0 0 "[ ]" 2 79 1 55 ASP H 1 56 VAL MG2 . . 8.340 4.205 4.205 4.205 . 0 0 "[ ]" 2 80 1 55 ASP H 1 96 GLU HA . . 6.740 4.975 4.975 4.975 . 0 0 "[ ]" 2 81 1 55 ASP H 1 103 ALA MB . . 8.340 4.788 4.788 4.788 . 0 0 "[ ]" 2 82 1 55 ASP H 1 119 VAL QG . . 9.420 3.899 3.899 3.899 . 0 0 "[ ]" 2 83 1 55 ASP H 1 120 LYS H . . 3.720 3.193 3.193 3.193 . 0 0 "[ ]" 2 84 1 55 ASP H 1 120 LYS QB . . 7.620 5.121 5.121 5.121 . 0 0 "[ ]" 2 85 1 55 ASP H 1 120 LYS QG . . 7.620 3.822 3.822 3.822 . 0 0 "[ ]" 2 86 1 55 ASP HA 1 56 VAL H . . 2.600 2.276 2.276 2.276 . 0 0 "[ ]" 2 87 1 55 ASP HA 1 56 VAL MG2 . . 6.530 3.659 3.659 3.659 . 0 0 "[ ]" 2 88 1 55 ASP HA 1 96 GLU HA . . 3.210 2.388 2.388 2.388 . 0 0 "[ ]" 2 89 1 55 ASP HA 1 97 GLY H . . 3.560 2.677 2.677 2.677 . 0 0 "[ ]" 2 90 1 55 ASP HA 1 98 VAL MG2 . . 6.530 3.226 3.226 3.226 . 0 0 "[ ]" 2 91 1 55 ASP QB 1 96 GLU HA . . 6.380 3.144 3.144 3.144 . 0 0 "[ ]" 2 92 1 55 ASP QB 1 97 GLY H . . 8.100 3.898 3.898 3.898 . 0 0 "[ ]" 2 93 1 55 ASP QB 1 120 LYS H . . 8.100 3.154 3.154 3.154 . 0 0 "[ ]" 2 94 1 56 VAL H 1 56 VAL HB . . 3.020 2.498 2.498 2.498 . 0 0 "[ ]" 2 95 1 56 VAL H 1 57 ILE H . . 5.700 4.284 4.284 4.284 . 0 0 "[ ]" 2 96 1 56 VAL H 1 57 ILE HA . . 6.740 4.861 4.861 4.861 . 0 0 "[ ]" 2 97 1 56 VAL H 1 93 ALA MB . . 8.340 4.896 4.896 4.896 . 0 0 "[ ]" 2 98 1 56 VAL H 1 94 LEU H . . 5.650 4.453 4.453 4.453 . 0 0 "[ ]" 2 99 1 56 VAL H 1 94 LEU HB3 . . 6.150 5.261 5.261 5.261 . 0 0 "[ ]" 2 100 1 56 VAL H 1 95 LYS H . . 3.210 2.865 2.865 2.865 . 0 0 "[ ]" 2 101 1 56 VAL H 1 95 LYS HB2 . . 6.280 3.187 3.187 3.187 . 0 0 "[ ]" 2 102 1 56 VAL H 1 95 LYS HB3 . . 6.740 4.685 4.685 4.685 . 0 0 "[ ]" 2 103 1 56 VAL H 1 96 GLU HA . . 3.910 3.553 3.553 3.553 . 0 0 "[ ]" 2 104 1 56 VAL H 1 98 VAL MG2 . . 5.970 3.439 3.439 3.439 . 0 0 "[ ]" 2 105 1 56 VAL HA 1 57 ILE H . . 2.640 2.185 2.185 2.185 . 0 0 "[ ]" 2 106 1 56 VAL HA 1 119 VAL HA . . 3.390 2.967 2.967 2.967 . 0 0 "[ ]" 2 107 1 56 VAL HB 1 57 ILE H . . 4.450 4.417 4.417 4.417 . 0 0 "[ ]" 2 108 1 56 VAL HB 1 94 LEU H . . 6.190 4.175 4.175 4.175 . 0 0 "[ ]" 2 109 1 56 VAL HB 1 95 LYS H . . 3.640 2.849 2.849 2.849 . 0 0 "[ ]" 2 110 1 56 VAL MG1 1 57 ILE H . . 5.970 3.099 3.099 3.099 . 0 0 "[ ]" 2 111 1 56 VAL MG2 1 57 ILE H . . 8.340 4.195 4.195 4.195 . 0 0 "[ ]" 2 112 1 56 VAL MG2 1 95 LYS H . . 6.740 4.215 4.215 4.215 . 0 0 "[ ]" 2 113 1 56 VAL MG2 1 103 ALA H . . 7.310 4.065 4.065 4.065 . 0 0 "[ ]" 2 114 1 56 VAL MG2 1 106 LEU H . . 7.360 4.800 4.800 4.800 . 0 0 "[ ]" 2 115 1 56 VAL MG2 1 107 LYS H . . 8.340 4.181 4.181 4.181 . 0 0 "[ ]" 2 116 1 56 VAL MG2 1 120 LYS H . . 8.340 4.465 4.465 4.465 . 0 0 "[ ]" 2 117 1 57 ILE H 1 57 ILE HB . . 3.050 2.374 2.374 2.374 . 0 0 "[ ]" 2 118 1 57 ILE H 1 57 ILE MD . . 5.340 3.551 3.551 3.551 . 0 0 "[ ]" 2 119 1 57 ILE H 1 58 LEU H . . 5.650 4.533 4.533 4.533 . 0 0 "[ ]" 2 120 1 57 ILE H 1 93 ALA MB . . 8.340 5.452 5.452 5.452 . 0 0 "[ ]" 2 121 1 57 ILE H 1 117 VAL QG . . 6.860 3.509 3.509 3.509 . 0 0 "[ ]" 2 122 1 57 ILE H 1 118 GLU H . . 3.560 3.127 3.127 3.127 . 0 0 "[ ]" 2 123 1 57 ILE H 1 118 GLU HB3 . . 6.740 3.183 3.183 3.183 . 0 0 "[ ]" 2 124 1 57 ILE H 1 119 VAL HA . . 3.960 3.609 3.609 3.609 . 0 0 "[ ]" 2 125 1 57 ILE HA 1 58 LEU H . . 2.800 2.306 2.306 2.306 . 0 0 "[ ]" 2 126 1 57 ILE HA 1 92 ALA H . . 5.400 4.953 4.953 4.953 . 0 0 "[ ]" 2 127 1 57 ILE HA 1 94 LEU H . . 3.120 2.227 2.227 2.227 . 0 0 "[ ]" 2 128 1 57 ILE HB 1 118 GLU H . . 4.410 3.959 3.959 3.959 . 0 0 "[ ]" 2 129 1 57 ILE MG 1 58 LEU H . . 5.650 2.203 2.203 2.203 . 0 0 "[ ]" 2 130 1 57 ILE MG 1 91 PRO HA . . 6.530 4.237 4.237 4.237 . 0 0 "[ ]" 2 131 1 57 ILE MG 1 92 ALA H . . 4.950 3.089 3.089 3.089 . 0 0 "[ ]" 2 132 1 57 ILE MG 1 93 ALA H . . 8.340 4.010 4.010 4.010 . 0 0 "[ ]" 2 133 1 57 ILE MG 1 94 LEU H . . 8.340 4.149 4.149 4.149 . 0 0 "[ ]" 2 134 1 57 ILE MG 1 118 GLU H . . 8.240 4.105 4.105 4.105 . 0 0 "[ ]" 2 135 1 57 ILE QG 1 93 ALA H . . 8.100 4.025 4.025 4.025 . 0 0 "[ ]" 2 136 1 57 ILE MD 1 118 GLU H . . 8.340 5.438 5.438 5.438 . 0 0 "[ ]" 2 137 1 58 LEU H 1 58 LEU HA . . 2.910 2.933 2.933 2.933 0.023 1 0 "[ ]" 2 138 1 58 LEU H 1 58 LEU HB2 . . 3.400 3.107 3.107 3.107 . 0 0 "[ ]" 2 139 1 58 LEU H 1 58 LEU HB3 . . 3.180 2.337 2.337 2.337 . 0 0 "[ ]" 2 140 1 58 LEU H 1 58 LEU HG . . 5.220 4.501 4.501 4.501 . 0 0 "[ ]" 2 141 1 58 LEU H 1 59 LYS H . . 4.830 4.390 4.390 4.390 . 0 0 "[ ]" 2 142 1 58 LEU H 1 92 ALA H . . 4.000 3.025 3.025 3.025 . 0 0 "[ ]" 2 143 1 58 LEU H 1 92 ALA MB . . 8.340 4.114 4.114 4.114 . 0 0 "[ ]" 2 144 1 58 LEU H 1 94 LEU MD1 . . 5.390 3.873 3.873 3.873 . 0 0 "[ ]" 2 145 1 58 LEU HA 1 59 LYS H . . 2.870 2.179 2.179 2.179 . 0 0 "[ ]" 2 146 1 58 LEU HA 1 60 ALA H . . 4.260 4.291 4.291 4.291 0.031 1 0 "[ ]" 2 147 1 58 LEU HA 1 117 VAL HA . . 3.450 2.756 2.756 2.756 . 0 0 "[ ]" 2 148 1 58 LEU HA 1 118 GLU H . . 4.320 3.547 3.547 3.547 . 0 0 "[ ]" 2 149 1 58 LEU HB2 1 59 LYS H . . 6.740 4.211 4.211 4.211 . 0 0 "[ ]" 2 150 1 58 LEU HB3 1 92 ALA H . . 5.260 3.264 3.264 3.264 . 0 0 "[ ]" 2 151 1 58 LEU QD 1 59 LYS H . . 7.720 3.382 3.382 3.382 . 0 0 "[ ]" 2 152 1 58 LEU QD 1 60 ALA H . . 7.480 3.594 3.594 3.594 . 0 0 "[ ]" 2 153 1 58 LEU QD 1 61 ALA H . . 10.160 3.367 3.367 3.367 . 0 0 "[ ]" 2 154 1 58 LEU QD 1 90 ALA H . . 10.160 4.170 4.170 4.170 . 0 0 "[ ]" 2 155 1 58 LEU QD 1 92 ALA H . . 10.160 2.647 2.647 2.647 . 0 0 "[ ]" 2 156 1 58 LEU QD 1 116 GLU H . . 8.660 4.949 4.949 4.949 . 0 0 "[ ]" 2 157 1 59 LYS H 1 59 LYS HB2 . . 3.130 2.393 2.393 2.393 . 0 0 "[ ]" 2 158 1 59 LYS H 1 59 LYS HB3 . . 4.000 3.597 3.597 3.597 . 0 0 "[ ]" 2 159 1 59 LYS H 1 59 LYS QG . . 5.080 2.638 2.638 2.638 . 0 0 "[ ]" 2 160 1 59 LYS H 1 60 ALA H . . 2.830 2.430 2.430 2.430 . 0 0 "[ ]" 2 161 1 59 LYS H 1 61 ALA H . . 5.960 5.978 5.978 5.978 0.018 1 0 "[ ]" 2 162 1 59 LYS H 1 117 VAL HA . . 3.330 2.835 2.835 2.835 . 0 0 "[ ]" 2 163 1 59 LYS H 1 118 GLU H . . 4.240 4.184 4.184 4.184 . 0 0 "[ ]" 2 164 1 59 LYS HA 1 91 PRO HA . . 3.550 3.159 3.159 3.159 . 0 0 "[ ]" 2 165 1 59 LYS HA 1 92 ALA H . . 3.960 4.064 4.064 4.064 0.104 1 0 "[ ]" 2 166 1 59 LYS HB2 1 60 ALA H . . 3.510 2.400 2.400 2.400 . 0 0 "[ ]" 2 167 1 59 LYS HB3 1 60 ALA H . . 3.330 3.358 3.358 3.358 0.028 1 0 "[ ]" 2 168 1 59 LYS HB3 1 118 GLU H . . 6.740 6.590 6.590 6.590 . 0 0 "[ ]" 2 169 1 59 LYS HG2 1 118 GLU H . . 5.780 5.317 5.317 5.317 . 0 0 "[ ]" 2 170 1 59 LYS HG3 1 118 GLU H . . 5.780 3.788 3.788 3.788 . 0 0 "[ ]" 2 171 1 59 LYS QG 1 60 ALA H . . 4.960 4.055 4.055 4.055 . 0 0 "[ ]" 2 172 1 59 LYS QG 1 118 GLU H . . 5.440 3.711 3.711 3.711 . 0 0 "[ ]" 2 173 1 60 ALA H 1 61 ALA H . . 4.570 4.264 4.264 4.264 . 0 0 "[ ]" 2 174 1 60 ALA H 1 90 ALA MB . . 6.600 4.810 4.810 4.810 . 0 0 "[ ]" 2 175 1 60 ALA H 1 116 GLU H . . 3.600 3.230 3.230 3.230 . 0 0 "[ ]" 2 176 1 60 ALA H 1 116 GLU HB2 . . 4.750 3.898 3.898 3.898 . 0 0 "[ ]" 2 177 1 60 ALA H 1 116 GLU HB3 . . 4.320 2.255 2.255 2.255 . 0 0 "[ ]" 2 178 1 60 ALA HA 1 61 ALA H . . 2.570 2.203 2.203 2.203 . 0 0 "[ ]" 2 179 1 60 ALA HA 1 62 GLY H . . 4.370 3.596 3.596 3.596 . 0 0 "[ ]" 2 180 1 60 ALA MB 1 116 GLU H . . 5.480 2.897 2.897 2.897 . 0 0 "[ ]" 2 181 1 61 ALA H 1 62 GLY H . . 3.210 2.517 2.517 2.517 . 0 0 "[ ]" 2 182 1 61 ALA H 1 115 ALA MB . . 5.700 4.529 4.529 4.529 . 0 0 "[ ]" 2 183 1 61 ALA HA 1 62 GLY H . . 3.640 3.518 3.518 3.518 . 0 0 "[ ]" 2 184 1 61 ALA HA 1 115 ALA H . . 6.740 6.209 6.209 6.209 . 0 0 "[ ]" 2 185 1 61 ALA HA 1 116 GLU H . . 4.000 4.079 4.079 4.079 0.079 1 0 "[ ]" 2 186 1 61 ALA MB 1 62 GLY H . . 4.080 2.930 2.930 2.930 . 0 0 "[ ]" 2 187 1 62 GLY H 1 62 GLY HA2 . . 2.640 2.271 2.271 2.271 . 0 0 "[ ]" 2 188 1 62 GLY H 1 62 GLY HA3 . . 2.870 2.876 2.876 2.876 0.006 1 0 "[ ]" 2 189 1 62 GLY H 1 63 ALA H . . 5.040 4.640 4.640 4.640 . 0 0 "[ ]" 2 190 1 62 GLY H 1 115 ALA MB . . 7.640 4.182 4.182 4.182 . 0 0 "[ ]" 2 191 1 62 GLY HA2 1 63 ALA H . . 3.130 2.919 2.919 2.919 . 0 0 "[ ]" 2 192 1 62 GLY HA2 1 64 ASN H . . 5.040 4.354 4.354 4.354 . 0 0 "[ ]" 2 193 1 62 GLY HA3 1 63 ALA H . . 3.440 2.362 2.362 2.362 . 0 0 "[ ]" 2 194 1 62 GLY HA3 1 64 ASN H . . 4.370 3.514 3.514 3.514 . 0 0 "[ ]" 2 195 1 63 ALA H 1 64 ASN H . . 3.020 3.099 3.099 3.099 0.079 1 0 "[ ]" 2 196 1 64 ASN H 1 64 ASN HA . . 2.870 2.864 2.864 2.864 . 0 0 "[ ]" 2 197 1 64 ASN H 1 64 ASN HB2 . . 3.290 3.100 3.100 3.100 . 0 0 "[ ]" 2 198 1 64 ASN H 1 64 ASN HB3 . . 3.250 3.107 3.107 3.107 . 0 0 "[ ]" 2 199 1 64 ASN H 1 65 LYS H . . 3.290 2.712 2.712 2.712 . 0 0 "[ ]" 2 200 1 64 ASN H 1 67 ALA MB . . 8.340 5.444 5.444 5.444 . 0 0 "[ ]" 2 201 1 64 ASN H 1 115 ALA MB . . 8.340 4.542 4.542 4.542 . 0 0 "[ ]" 2 202 1 64 ASN HA 1 65 LYS H . . 2.640 2.671 2.671 2.671 0.031 1 0 "[ ]" 2 203 1 64 ASN HA 1 66 VAL H . . 4.570 3.147 3.147 3.147 . 0 0 "[ ]" 2 204 1 64 ASN HA 1 67 ALA H . . 6.650 3.923 3.923 3.923 . 0 0 "[ ]" 2 205 1 64 ASN HB2 1 65 LYS H . . 6.690 4.701 4.701 4.701 . 0 0 "[ ]" 2 206 1 64 ASN HB3 1 67 ALA H . . 5.430 4.017 4.017 4.017 . 0 0 "[ ]" 2 207 1 64 ASN HD21 1 67 ALA MB . . 6.800 3.434 3.434 3.434 . 0 0 "[ ]" 2 208 1 64 ASN HD22 1 67 ALA MB . . 6.230 2.734 2.734 2.734 . 0 0 "[ ]" 2 209 1 64 ASN HD22 1 113 ALA MB . . 8.340 3.031 3.031 3.031 . 0 0 "[ ]" 2 210 1 65 LYS H 1 65 LYS HB2 . . 3.130 2.084 2.084 2.084 . 0 0 "[ ]" 2 211 1 65 LYS H 1 65 LYS HB3 . . 2.870 2.947 2.947 2.947 0.077 1 0 "[ ]" 2 212 1 65 LYS H 1 65 LYS HG2 . . 5.470 4.420 4.420 4.420 . 0 0 "[ ]" 2 213 1 65 LYS H 1 65 LYS HG3 . . 4.320 3.953 3.953 3.953 . 0 0 "[ ]" 2 214 1 65 LYS H 1 66 VAL H . . 3.180 2.609 2.609 2.609 . 0 0 "[ ]" 2 215 1 65 LYS H 1 66 VAL HB . . 6.690 4.686 4.686 4.686 . 0 0 "[ ]" 2 216 1 65 LYS H 1 66 VAL MG2 . . 8.340 3.912 3.912 3.912 . 0 0 "[ ]" 2 217 1 65 LYS HA 1 68 VAL H . . 3.830 3.468 3.468 3.468 . 0 0 "[ ]" 2 218 1 65 LYS HA 1 69 ILE H . . 4.240 3.770 3.770 3.770 . 0 0 "[ ]" 2 219 1 65 LYS HB2 1 66 VAL H . . 3.680 3.788 3.788 3.788 0.108 1 0 "[ ]" 2 220 1 65 LYS HB3 1 66 VAL H . . 3.800 3.253 3.253 3.253 . 0 0 "[ ]" 2 221 1 65 LYS HG2 1 66 VAL H . . 6.740 4.881 4.881 4.881 . 0 0 "[ ]" 2 222 1 65 LYS HG2 1 68 VAL H . . 6.740 5.295 5.295 5.295 . 0 0 "[ ]" 2 223 1 65 LYS HG2 1 69 ILE H . . 6.740 4.076 4.076 4.076 . 0 0 "[ ]" 2 224 1 65 LYS HG3 1 66 VAL H . . 6.740 5.328 5.328 5.328 . 0 0 "[ ]" 2 225 1 66 VAL H 1 66 VAL HB . . 2.640 2.285 2.285 2.285 . 0 0 "[ ]" 2 226 1 66 VAL H 1 66 VAL MG2 . . 3.920 2.205 2.205 2.205 . 0 0 "[ ]" 2 227 1 66 VAL H 1 67 ALA H . . 3.090 2.823 2.823 2.823 . 0 0 "[ ]" 2 228 1 66 VAL H 1 67 ALA MB . . 8.340 4.361 4.361 4.361 . 0 0 "[ ]" 2 229 1 66 VAL H 1 68 VAL H . . 5.220 3.876 3.876 3.876 . 0 0 "[ ]" 2 230 1 66 VAL HA 1 69 ILE H . . 3.830 3.685 3.685 3.685 . 0 0 "[ ]" 2 231 1 66 VAL HA 1 70 LYS H . . 6.740 4.506 4.506 4.506 . 0 0 "[ ]" 2 232 1 66 VAL HB 1 67 ALA H . . 2.830 2.333 2.333 2.333 . 0 0 "[ ]" 2 233 1 66 VAL MG1 1 67 ALA H . . 5.340 2.913 2.913 2.913 . 0 0 "[ ]" 2 234 1 66 VAL MG1 1 70 LYS H . . 6.930 4.442 4.442 4.442 . 0 0 "[ ]" 2 235 1 66 VAL MG2 1 67 ALA H . . 8.340 3.860 3.860 3.860 . 0 0 "[ ]" 2 236 1 67 ALA H 1 68 VAL H . . 2.910 2.734 2.734 2.734 . 0 0 "[ ]" 2 237 1 67 ALA H 1 68 VAL MG2 . . 8.340 4.327 4.327 4.327 . 0 0 "[ ]" 2 238 1 67 ALA H 1 69 ILE H . . 6.740 4.552 4.552 4.552 . 0 0 "[ ]" 2 239 1 67 ALA H 1 113 ALA MB . . 8.290 4.145 4.145 4.145 . 0 0 "[ ]" 2 240 1 67 ALA HA 1 70 LYS H . . 4.040 3.455 3.455 3.455 . 0 0 "[ ]" 2 241 1 67 ALA MB 1 113 ALA H . . 7.800 4.555 4.555 4.555 . 0 0 "[ ]" 2 242 1 68 VAL H 1 68 VAL HB . . 2.870 2.295 2.295 2.295 . 0 0 "[ ]" 2 243 1 68 VAL H 1 68 VAL MG2 . . 4.120 2.324 2.324 2.324 . 0 0 "[ ]" 2 244 1 68 VAL H 1 69 ILE H . . 3.330 2.871 2.871 2.871 . 0 0 "[ ]" 2 245 1 68 VAL H 1 69 ILE HB . . 4.690 4.720 4.720 4.720 0.030 1 0 "[ ]" 2 246 1 68 VAL H 1 71 ALA MB . . 5.780 4.742 4.742 4.742 . 0 0 "[ ]" 2 247 1 68 VAL HA 1 71 ALA H . . 5.260 3.265 3.265 3.265 . 0 0 "[ ]" 2 248 1 68 VAL HB 1 69 ILE H . . 3.400 2.431 2.431 2.431 . 0 0 "[ ]" 2 249 1 68 VAL MG1 1 69 ILE H . . 5.530 2.948 2.948 2.948 . 0 0 "[ ]" 2 250 1 68 VAL MG1 1 71 ALA H . . 8.290 4.544 4.544 4.544 . 0 0 "[ ]" 2 251 1 68 VAL MG2 1 69 ILE H . . 8.340 3.919 3.919 3.919 . 0 0 "[ ]" 2 252 1 69 ILE H 1 69 ILE HB . . 2.570 2.262 2.262 2.262 . 0 0 "[ ]" 2 253 1 69 ILE H 1 69 ILE MD . . 5.740 3.254 3.254 3.254 . 0 0 "[ ]" 2 254 1 69 ILE H 1 70 LYS H . . 3.440 2.823 2.823 2.823 . 0 0 "[ ]" 2 255 1 69 ILE H 1 87 VAL MG1 . . 5.700 4.504 4.504 4.504 . 0 0 "[ ]" 2 256 1 69 ILE H 1 87 VAL MG2 . . 5.700 3.914 3.914 3.914 . 0 0 "[ ]" 2 257 1 69 ILE HA 1 72 VAL H . . 4.120 3.413 3.413 3.413 . 0 0 "[ ]" 2 258 1 69 ILE HA 1 73 ARG H . . 5.560 3.878 3.878 3.878 . 0 0 "[ ]" 2 259 1 69 ILE HB 1 70 LYS H . . 2.910 2.918 2.918 2.918 0.008 1 0 "[ ]" 2 260 1 69 ILE MG 1 70 LYS H . . 5.530 3.241 3.241 3.241 . 0 0 "[ ]" 2 261 1 69 ILE MG 1 73 ARG H . . 8.340 3.719 3.719 3.719 . 0 0 "[ ]" 2 262 1 69 ILE MG 1 83 ALA H . . 6.930 5.060 5.060 5.060 . 0 0 "[ ]" 2 263 1 69 ILE MG 1 84 LYS H . . 5.530 4.191 4.191 4.191 . 0 0 "[ ]" 2 264 1 70 LYS H 1 70 LYS HG2 . . 4.690 3.550 3.550 3.550 . 0 0 "[ ]" 2 265 1 70 LYS H 1 70 LYS HG3 . . 3.870 2.514 2.514 2.514 . 0 0 "[ ]" 2 266 1 70 LYS H 1 71 ALA H . . 3.180 2.701 2.701 2.701 . 0 0 "[ ]" 2 267 1 70 LYS H 1 72 VAL H . . 6.060 3.970 3.970 3.970 . 0 0 "[ ]" 2 268 1 70 LYS HA 1 72 VAL H . . 5.830 4.317 4.317 4.317 . 0 0 "[ ]" 2 269 1 70 LYS HA 1 73 ARG H . . 4.830 4.048 4.048 4.048 . 0 0 "[ ]" 2 270 1 70 LYS QB 1 71 ALA H . . 4.290 2.546 2.546 2.546 . 0 0 "[ ]" 2 271 1 70 LYS QB 1 72 VAL H . . 8.100 4.613 4.613 4.613 . 0 0 "[ ]" 2 272 1 70 LYS HG2 1 74 GLY H . . 6.000 5.956 5.956 5.956 . 0 0 "[ ]" 2 273 1 70 LYS HG3 1 71 ALA H . . 6.740 4.567 4.567 4.567 . 0 0 "[ ]" 2 274 1 71 ALA H 1 72 VAL H . . 3.210 2.743 2.743 2.743 . 0 0 "[ ]" 2 275 1 71 ALA H 1 72 VAL HB . . 6.450 4.837 4.837 4.837 . 0 0 "[ ]" 2 276 1 71 ALA HA 1 74 GLY H . . 4.160 3.701 3.701 3.701 . 0 0 "[ ]" 2 277 1 71 ALA HA 1 75 ALA H . . 5.870 4.128 4.128 4.128 . 0 0 "[ ]" 2 278 1 71 ALA MB 1 74 GLY H . . 5.880 4.632 4.632 4.632 . 0 0 "[ ]" 2 279 1 72 VAL H 1 72 VAL HB . . 2.800 2.375 2.375 2.375 . 0 0 "[ ]" 2 280 1 72 VAL H 1 72 VAL MG2 . . 4.080 2.175 2.175 2.175 . 0 0 "[ ]" 2 281 1 72 VAL H 1 73 ARG H . . 3.250 3.124 3.124 3.124 . 0 0 "[ ]" 2 282 1 72 VAL H 1 106 LEU MD2 . . 6.100 4.900 4.900 4.900 . 0 0 "[ ]" 2 283 1 72 VAL H 1 110 LEU MD2 . . 5.700 4.634 4.634 4.634 . 0 0 "[ ]" 2 284 1 72 VAL HA 1 75 ALA H . . 4.120 3.448 3.448 3.448 . 0 0 "[ ]" 2 285 1 72 VAL HA 1 76 THR H . . 6.740 4.388 4.388 4.388 . 0 0 "[ ]" 2 286 1 72 VAL HB 1 73 ARG H . . 3.330 2.038 2.038 2.038 . 0 0 "[ ]" 2 287 1 72 VAL MG1 1 73 ARG H . . 5.700 2.584 2.584 2.584 . 0 0 "[ ]" 2 288 1 72 VAL MG1 1 76 THR H . . 7.550 4.325 4.325 4.325 . 0 0 "[ ]" 2 289 1 72 VAL MG2 1 73 ARG H . . 6.230 3.703 3.703 3.703 . 0 0 "[ ]" 2 290 1 73 ARG H 1 73 ARG QG . . 5.130 2.213 2.213 2.213 . 0 0 "[ ]" 2 291 1 73 ARG H 1 73 ARG HD2 . . 6.740 4.340 4.340 4.340 . 0 0 "[ ]" 2 292 1 73 ARG H 1 73 ARG HD3 . . 6.740 4.732 4.732 4.732 . 0 0 "[ ]" 2 293 1 73 ARG H 1 74 GLY H . . 3.330 2.808 2.808 2.808 . 0 0 "[ ]" 2 294 1 73 ARG H 1 75 ALA H . . 4.870 4.341 4.341 4.341 . 0 0 "[ ]" 2 295 1 73 ARG H 1 83 ALA MB . . 5.390 3.005 3.005 3.005 . 0 0 "[ ]" 2 296 1 73 ARG HA 1 75 ALA H . . 4.830 4.212 4.212 4.212 . 0 0 "[ ]" 2 297 1 73 ARG HA 1 76 THR H . . 3.640 3.269 3.269 3.269 . 0 0 "[ ]" 2 298 1 73 ARG HA 1 77 GLY H . . 3.050 2.188 2.188 2.188 . 0 0 "[ ]" 2 299 1 73 ARG HA 1 78 LEU H . . 3.680 2.672 2.672 2.672 . 0 0 "[ ]" 2 300 1 73 ARG QG 1 74 GLY H . . 5.880 2.108 2.108 2.108 . 0 0 "[ ]" 2 301 1 74 GLY H 1 74 GLY HA3 . . 2.710 2.257 2.257 2.257 . 0 0 "[ ]" 2 302 1 74 GLY H 1 75 ALA H . . 2.980 2.530 2.530 2.530 . 0 0 "[ ]" 2 303 1 74 GLY H 1 76 THR H . . 5.780 3.758 3.758 3.758 . 0 0 "[ ]" 2 304 1 74 GLY H 1 77 GLY H . . 6.230 4.771 4.771 4.771 . 0 0 "[ ]" 2 305 1 74 GLY HA3 1 75 ALA H . . 3.400 2.980 2.980 2.980 . 0 0 "[ ]" 2 306 1 74 GLY HA3 1 77 GLY H . . 6.230 5.919 5.919 5.919 . 0 0 "[ ]" 2 307 1 75 ALA H 1 76 THR H . . 2.980 2.273 2.273 2.273 . 0 0 "[ ]" 2 308 1 75 ALA H 1 76 THR MG . . 8.340 3.556 3.556 3.556 . 0 0 "[ ]" 2 309 1 75 ALA H 1 77 GLY H . . 5.180 4.508 4.508 4.508 . 0 0 "[ ]" 2 310 1 76 THR H 1 76 THR HG1 . . 3.150 2.066 2.066 2.066 . 0 0 "[ ]" 2 311 1 76 THR H 1 77 GLY H . . 2.570 2.574 2.574 2.574 0.004 1 0 "[ ]" 2 312 1 76 THR H 1 94 LEU MD2 . . 8.340 4.981 4.981 4.981 . 0 0 "[ ]" 2 313 1 76 THR HA 1 78 LEU H . . 5.390 4.767 4.767 4.767 . 0 0 "[ ]" 2 314 1 76 THR HB 1 77 GLY H . . 4.570 3.086 3.086 3.086 . 0 0 "[ ]" 2 315 1 76 THR HB 1 78 LEU H . . 3.440 3.278 3.278 3.278 . 0 0 "[ ]" 2 316 1 76 THR MG 1 77 GLY H . . 7.550 3.611 3.611 3.611 . 0 0 "[ ]" 2 317 1 76 THR MG 1 78 LEU H . . 7.070 4.158 4.158 4.158 . 0 0 "[ ]" 2 318 1 76 THR MG 1 96 GLU H . . 8.340 6.194 6.194 6.194 . 0 0 "[ ]" 2 319 1 76 THR HG1 1 77 GLY H . . 4.870 2.420 2.420 2.420 . 0 0 "[ ]" 2 320 1 76 THR HG1 1 78 LEU H . . 4.160 3.284 3.284 3.284 . 0 0 "[ ]" 2 321 1 77 GLY H 1 78 LEU H . . 3.130 1.801 1.801 1.801 . 0 0 "[ ]" 2 322 1 77 GLY H 1 78 LEU HB2 . . 4.240 3.901 3.901 3.901 . 0 0 "[ ]" 2 323 1 77 GLY H 1 94 LEU MD2 . . 8.340 6.163 6.163 6.163 . 0 0 "[ ]" 2 324 1 78 LEU H 1 78 LEU HB2 . . 2.800 2.339 2.339 2.339 . 0 0 "[ ]" 2 325 1 78 LEU H 1 78 LEU HB3 . . 3.800 3.530 3.530 3.530 . 0 0 "[ ]" 2 326 1 78 LEU H 1 78 LEU HG . . 2.940 2.455 2.455 2.455 . 0 0 "[ ]" 2 327 1 78 LEU H 1 78 LEU MD1 . . 5.780 3.330 3.330 3.330 . 0 0 "[ ]" 2 328 1 78 LEU H 1 78 LEU MD2 . . 5.530 3.727 3.727 3.727 . 0 0 "[ ]" 2 329 1 78 LEU H 1 79 GLY H . . 6.740 4.651 4.651 4.651 . 0 0 "[ ]" 2 330 1 78 LEU HA 1 79 GLY H . . 2.600 2.367 2.367 2.367 . 0 0 "[ ]" 2 331 1 78 LEU HB2 1 79 GLY H . . 4.280 3.920 3.920 3.920 . 0 0 "[ ]" 2 332 1 78 LEU HB3 1 79 GLY H . . 3.480 2.716 2.716 2.716 . 0 0 "[ ]" 2 333 1 78 LEU HB3 1 82 GLU H . . 4.570 4.653 4.653 4.653 0.083 1 0 "[ ]" 2 334 1 78 LEU HB3 1 83 ALA H . . 4.830 3.775 3.775 3.775 . 0 0 "[ ]" 2 335 1 78 LEU MD1 1 79 GLY H . . 8.340 4.800 4.800 4.800 . 0 0 "[ ]" 2 336 1 78 LEU MD1 1 82 GLU H . . 8.340 5.921 5.921 5.921 . 0 0 "[ ]" 2 337 1 78 LEU MD1 1 83 ALA H . . 8.340 4.692 4.692 4.692 . 0 0 "[ ]" 2 338 1 78 LEU MD2 1 79 GLY H . . 5.700 3.348 3.348 3.348 . 0 0 "[ ]" 2 339 1 78 LEU MD2 1 82 GLU H . . 8.340 5.590 5.590 5.590 . 0 0 "[ ]" 2 340 1 78 LEU MD2 1 83 ALA H . . 7.120 5.387 5.387 5.387 . 0 0 "[ ]" 2 341 1 79 GLY H 1 79 GLY HA3 . . 2.750 2.247 2.247 2.247 . 0 0 "[ ]" 2 342 1 79 GLY H 1 82 GLU HB2 . . 4.830 2.735 2.735 2.735 . 0 0 "[ ]" 2 343 1 79 GLY H 1 82 GLU HB3 . . 5.870 4.060 4.060 4.060 . 0 0 "[ ]" 2 344 1 79 GLY HA2 1 80 LEU H . . 2.830 2.280 2.280 2.280 . 0 0 "[ ]" 2 345 1 79 GLY HA3 1 80 LEU H . . 2.980 3.050 3.050 3.050 0.070 1 0 "[ ]" 2 346 1 80 LEU H 1 80 LEU HB2 . . 2.830 2.110 2.110 2.110 . 0 0 "[ ]" 2 347 1 80 LEU H 1 80 LEU HB3 . . 2.940 2.862 2.862 2.862 . 0 0 "[ ]" 2 348 1 80 LEU H 1 80 LEU HG . . 5.180 4.486 4.486 4.486 . 0 0 "[ ]" 2 349 1 80 LEU H 1 81 LYS H . . 3.400 2.992 2.992 2.992 . 0 0 "[ ]" 2 350 1 80 LEU HA 1 83 ALA H . . 4.240 3.726 3.726 3.726 . 0 0 "[ ]" 2 351 1 80 LEU HB2 1 81 LYS H . . 3.560 3.654 3.654 3.654 0.094 1 0 "[ ]" 2 352 1 80 LEU HB3 1 81 LYS H . . 2.910 2.582 2.582 2.582 . 0 0 "[ ]" 2 353 1 80 LEU HG 1 81 LYS H . . 5.220 4.330 4.330 4.330 . 0 0 "[ ]" 2 354 1 80 LEU QD 1 81 LYS H . . 10.160 4.059 4.059 4.059 . 0 0 "[ ]" 2 355 1 80 LEU QD 1 83 ALA H . . 9.070 4.978 4.978 4.978 . 0 0 "[ ]" 2 356 1 80 LEU QD 1 84 LYS H . . 8.370 4.657 4.657 4.657 . 0 0 "[ ]" 2 357 1 81 LYS H 1 81 LYS HB2 . . 2.870 2.398 2.398 2.398 . 0 0 "[ ]" 2 358 1 81 LYS H 1 81 LYS HB3 . . 2.870 2.524 2.524 2.524 . 0 0 "[ ]" 2 359 1 81 LYS H 1 82 GLU H . . 2.940 2.943 2.943 2.943 0.003 1 0 "[ ]" 2 360 1 81 LYS HA 1 84 LYS H . . 3.760 3.296 3.296 3.296 . 0 0 "[ ]" 2 361 1 81 LYS HA 1 85 ASP H . . 4.160 3.926 3.926 3.926 . 0 0 "[ ]" 2 362 1 81 LYS HB2 1 82 GLU H . . 5.220 3.702 3.702 3.702 . 0 0 "[ ]" 2 363 1 81 LYS HB3 1 82 GLU H . . 2.940 2.257 2.257 2.257 . 0 0 "[ ]" 2 364 1 81 LYS HG2 1 82 GLU H . . 5.390 3.466 3.466 3.466 . 0 0 "[ ]" 2 365 1 81 LYS HG3 1 82 GLU H . . 5.390 4.566 4.566 4.566 . 0 0 "[ ]" 2 366 1 82 GLU H 1 82 GLU HB2 . . 2.830 2.411 2.411 2.411 . 0 0 "[ ]" 2 367 1 82 GLU H 1 82 GLU HG2 . . 3.760 2.322 2.322 2.322 . 0 0 "[ ]" 2 368 1 82 GLU H 1 82 GLU HG3 . . 3.760 3.296 3.296 3.296 . 0 0 "[ ]" 2 369 1 82 GLU H 1 82 GLU QG . . 3.440 2.277 2.277 2.277 . 0 0 "[ ]" 2 370 1 82 GLU H 1 83 ALA H . . 3.210 3.014 3.014 3.014 . 0 0 "[ ]" 2 371 1 82 GLU HA 1 85 ASP H . . 3.560 3.640 3.640 3.640 0.080 1 0 "[ ]" 2 372 1 82 GLU HB2 1 83 ALA H . . 3.400 2.654 2.654 2.654 . 0 0 "[ ]" 2 373 1 82 GLU HB3 1 83 ALA H . . 3.960 3.427 3.427 3.427 . 0 0 "[ ]" 2 374 1 83 ALA H 1 84 LYS H . . 3.050 2.699 2.699 2.699 . 0 0 "[ ]" 2 375 1 83 ALA H 1 84 LYS HB3 . . 6.320 4.790 4.790 4.790 . 0 0 "[ ]" 2 376 1 83 ALA H 1 85 ASP H . . 4.530 4.381 4.381 4.381 . 0 0 "[ ]" 2 377 1 83 ALA H 1 86 LEU QB . . 6.620 4.582 4.582 4.582 . 0 0 "[ ]" 2 378 1 83 ALA HA 1 86 LEU H . . 3.680 3.482 3.482 3.482 . 0 0 "[ ]" 2 379 1 83 ALA HA 1 87 VAL H . . 4.690 4.097 4.097 4.097 . 0 0 "[ ]" 2 380 1 83 ALA MB 1 87 VAL H . . 7.550 4.570 4.570 4.570 . 0 0 "[ ]" 2 381 1 84 LYS H 1 84 LYS HB2 . . 2.870 2.506 2.506 2.506 . 0 0 "[ ]" 2 382 1 84 LYS H 1 84 LYS HB3 . . 2.910 2.413 2.413 2.413 . 0 0 "[ ]" 2 383 1 84 LYS H 1 84 LYS QG . . 5.050 3.917 3.917 3.917 . 0 0 "[ ]" 2 384 1 84 LYS H 1 84 LYS HD3 . . 4.830 4.739 4.739 4.739 . 0 0 "[ ]" 2 385 1 84 LYS H 1 85 ASP H . . 3.090 2.856 2.856 2.856 . 0 0 "[ ]" 2 386 1 84 LYS H 1 86 LEU H . . 4.950 4.175 4.175 4.175 . 0 0 "[ ]" 2 387 1 84 LYS HA 1 87 VAL H . . 3.680 3.712 3.712 3.712 0.032 1 0 "[ ]" 2 388 1 84 LYS HB2 1 85 ASP H . . 3.960 3.888 3.888 3.888 . 0 0 "[ ]" 2 389 1 84 LYS HB3 1 85 ASP H . . 2.980 2.498 2.498 2.498 . 0 0 "[ ]" 2 390 1 84 LYS QG 1 85 ASP H . . 6.340 3.327 3.327 3.327 . 0 0 "[ ]" 2 391 1 84 LYS QG 1 88 GLU H . . 8.100 4.164 4.164 4.164 . 0 0 "[ ]" 2 392 1 84 LYS HD3 1 85 ASP H . . 5.600 4.785 4.785 4.785 . 0 0 "[ ]" 2 393 1 85 ASP H 1 85 ASP HB2 . . 2.910 2.547 2.547 2.547 . 0 0 "[ ]" 2 394 1 85 ASP H 1 85 ASP HB3 . . 3.680 3.550 3.550 3.550 . 0 0 "[ ]" 2 395 1 85 ASP H 1 86 LEU H . . 2.940 2.797 2.797 2.797 . 0 0 "[ ]" 2 396 1 85 ASP H 1 86 LEU QB . . 5.480 4.432 4.432 4.432 . 0 0 "[ ]" 2 397 1 85 ASP H 1 86 LEU QD . . 9.910 5.574 5.574 5.574 . 0 0 "[ ]" 2 398 1 85 ASP HA 1 88 GLU H . . 4.280 3.367 3.367 3.367 . 0 0 "[ ]" 2 399 1 85 ASP HA 1 89 SER H . . 6.000 4.448 4.448 4.448 . 0 0 "[ ]" 2 400 1 85 ASP HB2 1 86 LEU H . . 3.480 2.406 2.406 2.406 . 0 0 "[ ]" 2 401 1 85 ASP HB3 1 86 LEU H . . 3.800 3.575 3.575 3.575 . 0 0 "[ ]" 2 402 1 86 LEU H 1 86 LEU QB . . 3.920 2.165 2.165 2.165 . 0 0 "[ ]" 2 403 1 86 LEU H 1 86 LEU HG . . 4.610 4.368 4.368 4.368 . 0 0 "[ ]" 2 404 1 86 LEU H 1 87 VAL H . . 3.210 3.010 3.010 3.010 . 0 0 "[ ]" 2 405 1 86 LEU H 1 87 VAL HB . . 5.700 4.996 4.996 4.996 . 0 0 "[ ]" 2 406 1 86 LEU H 1 87 VAL MG2 . . 8.290 4.534 4.534 4.534 . 0 0 "[ ]" 2 407 1 86 LEU HA 1 88 GLU H . . 6.060 4.413 4.413 4.413 . 0 0 "[ ]" 2 408 1 86 LEU QB 1 87 VAL H . . 4.470 2.343 2.343 2.343 . 0 0 "[ ]" 2 409 1 86 LEU QB 1 89 SER H . . 8.100 4.820 4.820 4.820 . 0 0 "[ ]" 2 410 1 86 LEU HG 1 87 VAL H . . 5.780 4.311 4.311 4.311 . 0 0 "[ ]" 2 411 1 86 LEU MD1 1 93 ALA H . . 8.340 4.746 4.746 4.746 . 0 0 "[ ]" 2 412 1 86 LEU MD1 1 94 LEU H . . 6.800 5.472 5.472 5.472 . 0 0 "[ ]" 2 413 1 86 LEU MD2 1 93 ALA H . . 8.340 4.787 4.787 4.787 . 0 0 "[ ]" 2 414 1 86 LEU MD2 1 94 LEU H . . 6.800 5.085 5.085 5.085 . 0 0 "[ ]" 2 415 1 86 LEU QD 1 87 VAL H . . 7.760 2.841 2.841 2.841 . 0 0 "[ ]" 2 416 1 86 LEU QD 1 93 ALA H . . 7.870 4.246 4.246 4.246 . 0 0 "[ ]" 2 417 1 86 LEU QD 1 94 LEU H . . 6.510 4.681 4.681 4.681 . 0 0 "[ ]" 2 418 1 87 VAL H 1 87 VAL HB . . 2.750 2.313 2.313 2.313 . 0 0 "[ ]" 2 419 1 87 VAL H 1 87 VAL MG2 . . 4.250 2.144 2.144 2.144 . 0 0 "[ ]" 2 420 1 87 VAL H 1 88 GLU H . . 3.290 2.681 2.681 2.681 . 0 0 "[ ]" 2 421 1 87 VAL H 1 88 GLU HB2 . . 5.220 4.727 4.727 4.727 . 0 0 "[ ]" 2 422 1 87 VAL H 1 89 SER H . . 5.910 3.930 3.930 3.930 . 0 0 "[ ]" 2 423 1 87 VAL H 1 92 ALA MB . . 7.020 4.548 4.548 4.548 . 0 0 "[ ]" 2 424 1 87 VAL HA 1 89 SER H . . 5.180 3.731 3.731 3.731 . 0 0 "[ ]" 2 425 1 87 VAL HA 1 90 ALA H . . 4.650 3.950 3.950 3.950 . 0 0 "[ ]" 2 426 1 87 VAL HB 1 88 GLU H . . 3.020 2.800 2.800 2.800 . 0 0 "[ ]" 2 427 1 87 VAL MG1 1 88 GLU H . . 8.340 3.446 3.446 3.446 . 0 0 "[ ]" 2 428 1 87 VAL MG1 1 89 SER H . . 8.340 4.592 4.592 4.592 . 0 0 "[ ]" 2 429 1 87 VAL MG2 1 88 GLU H . . 8.340 4.014 4.014 4.014 . 0 0 "[ ]" 2 430 1 88 GLU H 1 88 GLU HB2 . . 3.230 2.270 2.270 2.270 . 0 0 "[ ]" 2 431 1 88 GLU H 1 88 GLU HB3 . . 3.870 3.514 3.514 3.514 . 0 0 "[ ]" 2 432 1 88 GLU H 1 88 GLU HG2 . . 4.240 3.666 3.666 3.666 . 0 0 "[ ]" 2 433 1 88 GLU H 1 88 GLU HG3 . . 4.240 2.564 2.564 2.564 . 0 0 "[ ]" 2 434 1 88 GLU H 1 88 GLU QG . . 3.820 2.517 2.517 2.517 . 0 0 "[ ]" 2 435 1 88 GLU H 1 89 SER H . . 2.940 2.563 2.563 2.563 . 0 0 "[ ]" 2 436 1 88 GLU H 1 90 ALA H . . 5.040 4.317 4.317 4.317 . 0 0 "[ ]" 2 437 1 88 GLU HA 1 90 ALA H . . 4.450 3.516 3.516 3.516 . 0 0 "[ ]" 2 438 1 88 GLU HB2 1 89 SER H . . 3.540 3.383 3.383 3.383 . 0 0 "[ ]" 2 439 1 88 GLU HB3 1 89 SER H . . 4.060 4.065 4.065 4.065 0.005 1 0 "[ ]" 2 440 1 88 GLU QG 1 89 SER H . . 7.620 4.440 4.440 4.440 . 0 0 "[ ]" 2 441 1 89 SER H 1 89 SER HG . . 5.510 3.636 3.636 3.636 . 0 0 "[ ]" 2 442 1 89 SER H 1 90 ALA H . . 2.940 2.597 2.597 2.597 . 0 0 "[ ]" 2 443 1 89 SER H 1 90 ALA MB . . 6.800 4.102 4.102 4.102 . 0 0 "[ ]" 2 444 1 89 SER H 1 92 ALA MB . . 6.740 4.012 4.012 4.012 . 0 0 "[ ]" 2 445 1 90 ALA H 1 90 ALA HA . . 2.750 2.751 2.751 2.751 0.001 1 0 "[ ]" 2 446 1 90 ALA H 1 91 PRO HA . . 6.650 4.476 4.476 4.476 . 0 0 "[ ]" 2 447 1 90 ALA HA 1 91 PRO HA . . 3.140 2.027 2.027 2.027 . 0 0 "[ ]" 2 448 1 90 ALA HA 1 92 ALA H . . 3.050 2.948 2.948 2.948 . 0 0 "[ ]" 2 449 1 91 PRO HA 1 92 ALA H . . 2.680 2.325 2.325 2.325 . 0 0 "[ ]" 2 450 1 91 PRO HB2 1 92 ALA H . . 3.870 3.003 3.003 3.003 . 0 0 "[ ]" 2 451 1 91 PRO HB3 1 92 ALA H . . 4.040 3.554 3.554 3.554 . 0 0 "[ ]" 2 452 1 92 ALA H 1 93 ALA H . . 5.910 4.262 4.262 4.262 . 0 0 "[ ]" 2 453 1 92 ALA HA 1 93 ALA H . . 2.570 2.228 2.228 2.228 . 0 0 "[ ]" 2 454 1 93 ALA H 1 94 LEU MD2 . . 8.340 6.289 6.289 6.289 . 0 0 "[ ]" 2 455 1 93 ALA HA 1 94 LEU H . . 2.910 2.201 2.201 2.201 . 0 0 "[ ]" 2 456 1 93 ALA HA 1 95 LYS H . . 4.080 4.152 4.152 4.152 0.072 1 0 "[ ]" 2 457 1 93 ALA MB 1 95 LYS H . . 6.600 3.756 3.756 3.756 . 0 0 "[ ]" 2 458 1 94 LEU H 1 94 LEU HB2 . . 3.210 2.114 2.114 2.114 . 0 0 "[ ]" 2 459 1 94 LEU H 1 94 LEU HB3 . . 3.960 3.380 3.380 3.380 . 0 0 "[ ]" 2 460 1 94 LEU H 1 94 LEU HG . . 4.690 3.324 3.324 3.324 . 0 0 "[ ]" 2 461 1 94 LEU H 1 95 LYS H . . 2.830 2.432 2.432 2.432 . 0 0 "[ ]" 2 462 1 94 LEU HB2 1 95 LYS H . . 3.800 2.799 2.799 2.799 . 0 0 "[ ]" 2 463 1 94 LEU HB3 1 95 LYS H . . 3.700 3.088 3.088 3.088 . 0 0 "[ ]" 2 464 1 94 LEU HG 1 95 LYS H . . 6.740 4.875 4.875 4.875 . 0 0 "[ ]" 2 465 1 94 LEU MD1 1 95 LYS H . . 5.830 4.573 4.573 4.573 . 0 0 "[ ]" 2 466 1 94 LEU MD2 1 95 LYS H . . 6.510 4.622 4.622 4.622 . 0 0 "[ ]" 2 467 1 95 LYS H 1 95 LYS HB2 . . 3.610 3.042 3.042 3.042 . 0 0 "[ ]" 2 468 1 95 LYS H 1 95 LYS HB3 . . 4.000 3.939 3.939 3.939 . 0 0 "[ ]" 2 469 1 95 LYS H 1 96 GLU H . . 6.230 4.395 4.395 4.395 . 0 0 "[ ]" 2 470 1 95 LYS HA 1 96 GLU H . . 2.570 2.399 2.399 2.399 . 0 0 "[ ]" 2 471 1 95 LYS HB2 1 96 GLU H . . 3.440 3.530 3.530 3.530 0.090 1 0 "[ ]" 2 472 1 95 LYS HB3 1 96 GLU H . . 3.800 2.763 2.763 2.763 . 0 0 "[ ]" 2 473 1 96 GLU H 1 96 GLU HB2 . . 2.980 2.764 2.764 2.764 . 0 0 "[ ]" 2 474 1 96 GLU H 1 96 GLU HB3 . . 4.040 3.832 3.832 3.832 . 0 0 "[ ]" 2 475 1 96 GLU H 1 96 GLU HG2 . . 3.960 4.019 4.019 4.019 0.059 1 0 "[ ]" 2 476 1 96 GLU H 1 96 GLU HG3 . . 3.330 3.155 3.155 3.155 . 0 0 "[ ]" 2 477 1 96 GLU H 1 98 VAL MG1 . . 6.980 2.715 2.715 2.715 . 0 0 "[ ]" 2 478 1 96 GLU HA 1 97 GLY H . . 2.570 2.212 2.212 2.212 . 0 0 "[ ]" 2 479 1 96 GLU HA 1 98 VAL H . . 5.120 4.093 4.093 4.093 . 0 0 "[ ]" 2 480 1 96 GLU HB2 1 97 GLY H . . 4.610 4.318 4.318 4.318 . 0 0 "[ ]" 2 481 1 96 GLU HB3 1 97 GLY H . . 3.400 3.430 3.430 3.430 0.030 1 0 "[ ]" 2 482 1 96 GLU HG2 1 97 GLY H . . 6.740 4.397 4.397 4.397 . 0 0 "[ ]" 2 483 1 97 GLY H 1 97 GLY HA2 . . 2.910 2.249 2.249 2.249 . 0 0 "[ ]" 2 484 1 97 GLY H 1 98 VAL H . . 3.400 2.735 2.735 2.735 . 0 0 "[ ]" 2 485 1 97 GLY H 1 98 VAL MG2 . . 8.340 3.627 3.627 3.627 . 0 0 "[ ]" 2 486 1 97 GLY HA2 1 98 VAL H . . 3.440 2.749 2.749 2.749 . 0 0 "[ ]" 2 487 1 98 VAL H 1 98 VAL MG1 . . 4.330 2.882 2.882 2.882 . 0 0 "[ ]" 2 488 1 98 VAL H 1 98 VAL MG2 . . 3.960 2.049 2.049 2.049 . 0 0 "[ ]" 2 489 1 98 VAL H 1 99 SER H . . 5.300 4.520 4.520 4.520 . 0 0 "[ ]" 2 490 1 98 VAL HA 1 99 SER H . . 2.880 2.435 2.435 2.435 . 0 0 "[ ]" 2 491 1 98 VAL HB 1 99 SER H . . 2.600 2.558 2.558 2.558 . 0 0 "[ ]" 2 492 1 98 VAL MG1 1 99 SER H . . 5.610 3.664 3.664 3.664 . 0 0 "[ ]" 2 493 1 98 VAL MG2 1 99 SER H . . 5.930 3.663 3.663 3.663 . 0 0 "[ ]" 2 494 1 98 VAL MG2 1 102 ASP H . . 8.340 4.862 4.862 4.862 . 0 0 "[ ]" 2 495 1 99 SER H 1 99 SER HB2 . . 3.560 3.550 3.550 3.550 . 0 0 "[ ]" 2 496 1 99 SER H 1 99 SER HB3 . . 3.050 2.509 2.509 2.509 . 0 0 "[ ]" 2 497 1 99 SER H 1 99 SER HG . . 3.290 2.198 2.198 2.198 . 0 0 "[ ]" 2 498 1 99 SER H 1 100 LYS H . . 5.390 4.657 4.657 4.657 . 0 0 "[ ]" 2 499 1 99 SER H 1 102 ASP HB2 . . 3.680 3.248 3.248 3.248 . 0 0 "[ ]" 2 500 1 99 SER H 1 102 ASP HB3 . . 4.530 4.606 4.606 4.606 0.076 1 0 "[ ]" 2 501 1 99 SER H 1 103 ALA H . . 5.830 4.882 4.882 4.882 . 0 0 "[ ]" 2 502 1 99 SER HA 1 100 LYS H . . 2.870 2.330 2.330 2.330 . 0 0 "[ ]" 2 503 1 99 SER HA 1 101 ASP H . . 4.570 4.281 4.281 4.281 . 0 0 "[ ]" 2 504 1 99 SER HB2 1 100 LYS H . . 3.330 2.927 2.927 2.927 . 0 0 "[ ]" 2 505 1 99 SER HB2 1 101 ASP H . . 3.680 2.970 2.970 2.970 . 0 0 "[ ]" 2 506 1 99 SER HB3 1 100 LYS H . . 4.080 4.055 4.055 4.055 . 0 0 "[ ]" 2 507 1 99 SER HB3 1 101 ASP H . . 5.700 4.651 4.651 4.651 . 0 0 "[ ]" 2 508 1 99 SER HG 1 102 ASP H . . 5.220 3.199 3.199 3.199 . 0 0 "[ ]" 2 509 1 100 LYS H 1 100 LYS HD2 . . 6.740 4.818 4.818 4.818 . 0 0 "[ ]" 2 510 1 100 LYS H 1 101 ASP H . . 3.330 2.771 2.771 2.771 . 0 0 "[ ]" 2 511 1 100 LYS HA 1 103 ALA H . . 4.320 3.247 3.247 3.247 . 0 0 "[ ]" 2 512 1 100 LYS HA 1 104 GLU H . . 5.700 3.926 3.926 3.926 . 0 0 "[ ]" 2 513 1 100 LYS QB 1 101 ASP H . . 4.250 2.633 2.633 2.633 . 0 0 "[ ]" 2 514 1 100 LYS QB 1 102 ASP H . . 7.500 4.825 4.825 4.825 . 0 0 "[ ]" 2 515 1 100 LYS HG2 1 101 ASP H . . 6.740 4.482 4.482 4.482 . 0 0 "[ ]" 2 516 1 100 LYS HG3 1 101 ASP H . . 6.740 5.103 5.103 5.103 . 0 0 "[ ]" 2 517 1 100 LYS HD2 1 101 ASP H . . 6.740 4.144 4.144 4.144 . 0 0 "[ ]" 2 518 1 101 ASP H 1 101 ASP HB2 . . 2.870 2.489 2.489 2.489 . 0 0 "[ ]" 2 519 1 101 ASP H 1 101 ASP HB3 . . 3.510 3.550 3.550 3.550 0.040 1 0 "[ ]" 2 520 1 101 ASP H 1 102 ASP H . . 2.870 2.794 2.794 2.794 . 0 0 "[ ]" 2 521 1 101 ASP H 1 102 ASP HB2 . . 6.740 4.795 4.795 4.795 . 0 0 "[ ]" 2 522 1 101 ASP H 1 103 ALA H . . 5.910 4.177 4.177 4.177 . 0 0 "[ ]" 2 523 1 101 ASP H 1 103 ALA MB . . 8.340 4.737 4.737 4.737 . 0 0 "[ ]" 2 524 1 101 ASP H 1 104 GLU QB . . 8.100 5.018 5.018 5.018 . 0 0 "[ ]" 2 525 1 101 ASP HA 1 104 GLU H . . 3.960 3.692 3.692 3.692 . 0 0 "[ ]" 2 526 1 101 ASP HB2 1 102 ASP H . . 3.180 2.499 2.499 2.499 . 0 0 "[ ]" 2 527 1 101 ASP HB3 1 102 ASP H . . 4.000 3.575 3.575 3.575 . 0 0 "[ ]" 2 528 1 102 ASP H 1 102 ASP HA . . 2.910 2.779 2.779 2.779 . 0 0 "[ ]" 2 529 1 102 ASP H 1 102 ASP HB2 . . 3.050 2.267 2.267 2.267 . 0 0 "[ ]" 2 530 1 102 ASP H 1 102 ASP HB3 . . 3.910 3.506 3.506 3.506 . 0 0 "[ ]" 2 531 1 102 ASP H 1 103 ALA H . . 3.050 2.596 2.596 2.596 . 0 0 "[ ]" 2 532 1 102 ASP H 1 103 ALA MB . . 8.130 4.193 4.193 4.193 . 0 0 "[ ]" 2 533 1 102 ASP HA 1 105 ALA H . . 3.360 3.323 3.323 3.323 . 0 0 "[ ]" 2 534 1 102 ASP HB2 1 103 ALA H . . 3.720 2.592 2.592 2.592 . 0 0 "[ ]" 2 535 1 102 ASP HB3 1 103 ALA H . . 3.800 3.437 3.437 3.437 . 0 0 "[ ]" 2 536 1 103 ALA H 1 104 GLU H . . 3.290 2.767 2.767 2.767 . 0 0 "[ ]" 2 537 1 103 ALA H 1 104 GLU QB . . 8.100 4.510 4.510 4.510 . 0 0 "[ ]" 2 538 1 103 ALA H 1 105 ALA MB . . 8.340 4.529 4.529 4.529 . 0 0 "[ ]" 2 539 1 103 ALA H 1 119 VAL QG . . 7.610 5.702 5.702 5.702 . 0 0 "[ ]" 2 540 1 103 ALA HA 1 106 LEU H . . 4.650 3.823 3.823 3.823 . 0 0 "[ ]" 2 541 1 103 ALA HA 1 107 LYS H . . 6.000 4.176 4.176 4.176 . 0 0 "[ ]" 2 542 1 103 ALA MB 1 105 ALA H . . 8.340 4.272 4.272 4.272 . 0 0 "[ ]" 2 543 1 103 ALA MB 1 107 LYS H . . 8.290 4.675 4.675 4.675 . 0 0 "[ ]" 2 544 1 103 ALA MB 1 120 LYS H . . 8.340 5.531 5.531 5.531 . 0 0 "[ ]" 2 545 1 104 GLU H 1 104 GLU HG2 . . 4.490 4.458 4.458 4.458 . 0 0 "[ ]" 2 546 1 104 GLU H 1 104 GLU HG3 . . 4.490 4.294 4.294 4.294 . 0 0 "[ ]" 2 547 1 104 GLU H 1 104 GLU QG . . 4.280 3.893 3.893 3.893 . 0 0 "[ ]" 2 548 1 104 GLU H 1 105 ALA H . . 2.910 2.513 2.513 2.513 . 0 0 "[ ]" 2 549 1 104 GLU H 1 105 ALA MB . . 6.600 4.125 4.125 4.125 . 0 0 "[ ]" 2 550 1 104 GLU H 1 106 LEU H . . 5.260 4.491 4.491 4.491 . 0 0 "[ ]" 2 551 1 104 GLU H 1 119 VAL QG . . 9.720 4.989 4.989 4.989 . 0 0 "[ ]" 2 552 1 104 GLU HA 1 107 LYS H . . 3.600 3.241 3.241 3.241 . 0 0 "[ ]" 2 553 1 104 GLU HA 1 108 LYS H . . 6.000 3.730 3.730 3.730 . 0 0 "[ ]" 2 554 1 104 GLU QB 1 105 ALA H . . 4.430 3.005 3.005 3.005 . 0 0 "[ ]" 2 555 1 104 GLU QG 1 105 ALA H . . 7.620 4.299 4.299 4.299 . 0 0 "[ ]" 2 556 1 105 ALA H 1 108 LYS QB . . 6.980 5.588 5.588 5.588 . 0 0 "[ ]" 2 557 1 105 ALA HA 1 108 LYS H . . 3.680 3.791 3.791 3.791 0.111 1 0 "[ ]" 2 558 1 105 ALA MB 1 106 LEU H . . 4.170 2.403 2.403 2.403 . 0 0 "[ ]" 2 559 1 106 LEU H 1 106 LEU HA . . 3.010 2.828 2.828 2.828 . 0 0 "[ ]" 2 560 1 106 LEU H 1 106 LEU HB2 . . 2.980 2.306 2.306 2.306 . 0 0 "[ ]" 2 561 1 106 LEU H 1 106 LEU HB3 . . 2.680 2.612 2.612 2.612 . 0 0 "[ ]" 2 562 1 106 LEU H 1 107 LYS H . . 3.020 2.553 2.553 2.553 . 0 0 "[ ]" 2 563 1 106 LEU H 1 108 LYS H . . 5.910 4.374 4.374 4.374 . 0 0 "[ ]" 2 564 1 106 LEU H 1 110 LEU MD2 . . 8.080 5.440 5.440 5.440 . 0 0 "[ ]" 2 565 1 106 LEU HA 1 110 LEU H . . 4.280 4.209 4.209 4.209 . 0 0 "[ ]" 2 566 1 106 LEU HB2 1 107 LYS H . . 5.260 3.828 3.828 3.828 . 0 0 "[ ]" 2 567 1 106 LEU HB3 1 107 LYS H . . 2.800 2.756 2.756 2.756 . 0 0 "[ ]" 2 568 1 106 LEU HG 1 107 LYS H . . 4.720 4.332 4.332 4.332 . 0 0 "[ ]" 2 569 1 106 LEU MD1 1 107 LYS H . . 5.830 4.782 4.782 4.782 . 0 0 "[ ]" 2 570 1 106 LEU MD2 1 107 LYS H . . 6.470 4.539 4.539 4.539 . 0 0 "[ ]" 2 571 1 107 LYS H 1 108 LYS H . . 3.290 2.895 2.895 2.895 . 0 0 "[ ]" 2 572 1 107 LYS H 1 110 LEU MD2 . . 8.340 4.660 4.660 4.660 . 0 0 "[ ]" 2 573 1 107 LYS HA 1 110 LEU H . . 5.180 3.367 3.367 3.367 . 0 0 "[ ]" 2 574 1 107 LYS HA 1 111 GLU H . . 5.470 4.318 4.318 4.318 . 0 0 "[ ]" 2 575 1 107 LYS QB 1 108 LYS H . . 4.550 2.438 2.438 2.438 . 0 0 "[ ]" 2 576 1 107 LYS HG2 1 111 GLU H . . 6.500 4.346 4.346 4.346 . 0 0 "[ ]" 2 577 1 107 LYS HG3 1 111 GLU H . . 6.500 5.973 5.973 5.973 . 0 0 "[ ]" 2 578 1 107 LYS QG 1 108 LYS H . . 6.180 3.974 3.974 3.974 . 0 0 "[ ]" 2 579 1 107 LYS QG 1 111 GLU H . . 5.680 4.247 4.247 4.247 . 0 0 "[ ]" 2 580 1 108 LYS H 1 108 LYS HG3 . . 3.330 3.050 3.050 3.050 . 0 0 "[ ]" 2 581 1 108 LYS H 1 109 ALA H . . 2.940 2.652 2.652 2.652 . 0 0 "[ ]" 2 582 1 108 LYS HA 1 111 GLU H . . 3.870 3.239 3.239 3.239 . 0 0 "[ ]" 2 583 1 108 LYS QB 1 109 ALA H . . 4.370 3.627 3.627 3.627 . 0 0 "[ ]" 2 584 1 109 ALA H 1 109 ALA HA . . 3.000 2.809 2.809 2.809 . 0 0 "[ ]" 2 585 1 109 ALA H 1 110 LEU H . . 3.180 2.633 2.633 2.633 . 0 0 "[ ]" 2 586 1 109 ALA H 1 110 LEU HG . . 6.740 5.863 5.863 5.863 . 0 0 "[ ]" 2 587 1 109 ALA H 1 111 GLU H . . 5.910 4.051 4.051 4.051 . 0 0 "[ ]" 2 588 1 109 ALA HA 1 112 GLU H . . 4.120 3.401 3.401 3.401 . 0 0 "[ ]" 2 589 1 110 LEU H 1 110 LEU HB2 . . 3.050 2.168 2.168 2.168 . 0 0 "[ ]" 2 590 1 110 LEU H 1 110 LEU HB3 . . 3.440 3.459 3.459 3.459 0.019 1 0 "[ ]" 2 591 1 110 LEU H 1 110 LEU HG . . 3.480 3.600 3.600 3.600 0.120 1 0 "[ ]" 2 592 1 110 LEU H 1 110 LEU MD1 . . 5.880 4.092 4.092 4.092 . 0 0 "[ ]" 2 593 1 110 LEU H 1 110 LEU MD2 . . 5.570 2.128 2.128 2.128 . 0 0 "[ ]" 2 594 1 110 LEU H 1 111 GLU H . . 3.180 2.670 2.670 2.670 . 0 0 "[ ]" 2 595 1 110 LEU HA 1 113 ALA H . . 4.080 3.420 3.420 3.420 . 0 0 "[ ]" 2 596 1 110 LEU HB2 1 111 GLU H . . 3.090 2.835 2.835 2.835 . 0 0 "[ ]" 2 597 1 110 LEU HB2 1 115 ALA H . . 6.740 4.926 4.926 4.926 . 0 0 "[ ]" 2 598 1 110 LEU HB3 1 111 GLU H . . 4.080 3.439 3.439 3.439 . 0 0 "[ ]" 2 599 1 110 LEU HB3 1 115 ALA H . . 6.060 3.537 3.537 3.537 . 0 0 "[ ]" 2 600 1 110 LEU HB3 1 117 VAL H . . 6.740 4.798 4.798 4.798 . 0 0 "[ ]" 2 601 1 110 LEU HG 1 111 GLU H . . 6.740 5.067 5.067 5.067 . 0 0 "[ ]" 2 602 1 110 LEU MD1 1 111 GLU H . . 6.600 4.875 4.875 4.875 . 0 0 "[ ]" 2 603 1 110 LEU MD2 1 111 GLU H . . 8.340 4.198 4.198 4.198 . 0 0 "[ ]" 2 604 1 110 LEU MD2 1 118 GLU H . . 8.340 7.030 7.030 7.030 . 0 0 "[ ]" 2 605 1 111 GLU H 1 111 GLU HB2 . . 2.940 2.365 2.365 2.365 . 0 0 "[ ]" 2 606 1 111 GLU H 1 111 GLU HB3 . . 4.120 3.535 3.535 3.535 . 0 0 "[ ]" 2 607 1 111 GLU H 1 111 GLU HG2 . . 4.200 3.355 3.355 3.355 . 0 0 "[ ]" 2 608 1 111 GLU H 1 111 GLU HG3 . . 3.360 2.335 2.335 2.335 . 0 0 "[ ]" 2 609 1 111 GLU H 1 112 GLU H . . 3.130 2.712 2.712 2.712 . 0 0 "[ ]" 2 610 1 111 GLU H 1 113 ALA H . . 5.300 4.053 4.053 4.053 . 0 0 "[ ]" 2 611 1 111 GLU H 1 115 ALA MB . . 8.340 4.766 4.766 4.766 . 0 0 "[ ]" 2 612 1 111 GLU HA 1 113 ALA H . . 4.570 4.058 4.058 4.058 . 0 0 "[ ]" 2 613 1 111 GLU HA 1 114 GLY H . . 3.910 2.963 2.963 2.963 . 0 0 "[ ]" 2 614 1 111 GLU HA 1 115 ALA H . . 3.220 2.688 2.688 2.688 . 0 0 "[ ]" 2 615 1 111 GLU HB2 1 112 GLU H . . 3.510 2.669 2.669 2.669 . 0 0 "[ ]" 2 616 1 111 GLU HB3 1 112 GLU H . . 5.390 3.581 3.581 3.581 . 0 0 "[ ]" 2 617 1 111 GLU HG2 1 115 ALA H . . 6.740 4.417 4.417 4.417 . 0 0 "[ ]" 2 618 1 111 GLU HG3 1 117 VAL H . . 6.740 5.267 5.267 5.267 . 0 0 "[ ]" 2 619 1 112 GLU H 1 112 GLU HB2 . . 2.680 2.319 2.319 2.319 . 0 0 "[ ]" 2 620 1 112 GLU H 1 112 GLU HB3 . . 4.000 3.524 3.524 3.524 . 0 0 "[ ]" 2 621 1 112 GLU H 1 112 GLU HG2 . . 4.450 2.426 2.426 2.426 . 0 0 "[ ]" 2 622 1 112 GLU H 1 112 GLU HG3 . . 4.450 3.431 3.431 3.431 . 0 0 "[ ]" 2 623 1 112 GLU H 1 112 GLU QG . . 4.200 2.379 2.379 2.379 . 0 0 "[ ]" 2 624 1 112 GLU H 1 113 ALA H . . 2.940 2.743 2.743 2.743 . 0 0 "[ ]" 2 625 1 112 GLU H 1 113 ALA MB . . 5.930 4.356 4.356 4.356 . 0 0 "[ ]" 2 626 1 112 GLU H 1 114 GLY H . . 5.000 3.958 3.958 3.958 . 0 0 "[ ]" 2 627 1 112 GLU HA 1 114 GLY H . . 5.040 4.319 4.319 4.319 . 0 0 "[ ]" 2 628 1 112 GLU HB2 1 113 ALA H . . 3.720 2.920 2.920 2.920 . 0 0 "[ ]" 2 629 1 112 GLU HB3 1 113 ALA H . . 3.870 3.698 3.698 3.698 . 0 0 "[ ]" 2 630 1 113 ALA H 1 113 ALA HA . . 2.940 2.882 2.882 2.882 . 0 0 "[ ]" 2 631 1 113 ALA H 1 114 GLY H . . 3.020 2.305 2.305 2.305 . 0 0 "[ ]" 2 632 1 113 ALA H 1 115 ALA H . . 4.200 4.224 4.224 4.224 0.024 1 0 "[ ]" 2 633 1 113 ALA H 1 115 ALA MB . . 8.340 4.619 4.619 4.619 . 0 0 "[ ]" 2 634 1 113 ALA MB 1 115 ALA H . . 5.610 3.926 3.926 3.926 . 0 0 "[ ]" 2 635 1 114 GLY H 1 114 GLY HA2 . . 2.870 2.343 2.343 2.343 . 0 0 "[ ]" 2 636 1 114 GLY H 1 115 ALA H . . 2.910 2.404 2.404 2.404 . 0 0 "[ ]" 2 637 1 114 GLY H 1 115 ALA MB . . 8.340 3.778 3.778 3.778 . 0 0 "[ ]" 2 638 1 115 ALA H 1 116 GLU H . . 5.870 4.459 4.459 4.459 . 0 0 "[ ]" 2 639 1 115 ALA H 1 117 VAL QG . . 8.360 4.227 4.227 4.227 . 0 0 "[ ]" 2 640 1 115 ALA HA 1 116 GLU H . . 2.570 2.438 2.438 2.438 . 0 0 "[ ]" 2 641 1 115 ALA MB 1 116 GLU H . . 4.290 2.531 2.531 2.531 . 0 0 "[ ]" 2 642 1 115 ALA MB 1 117 VAL H . . 8.340 4.869 4.869 4.869 . 0 0 "[ ]" 2 643 1 116 GLU H 1 116 GLU HB2 . . 3.180 2.655 2.655 2.655 . 0 0 "[ ]" 2 644 1 116 GLU H 1 116 GLU HB3 . . 3.330 2.592 2.592 2.592 . 0 0 "[ ]" 2 645 1 116 GLU H 1 117 VAL H . . 4.410 4.437 4.437 4.437 0.027 1 0 "[ ]" 2 646 1 116 GLU HA 1 117 VAL H . . 2.570 2.205 2.205 2.205 . 0 0 "[ ]" 2 647 1 116 GLU HG2 1 117 VAL H . . 5.080 4.614 4.614 4.614 . 0 0 "[ ]" 2 648 1 116 GLU HG3 1 117 VAL H . . 5.080 3.006 3.006 3.006 . 0 0 "[ ]" 2 649 1 116 GLU QG 1 117 VAL H . . 4.920 2.970 2.970 2.970 . 0 0 "[ ]" 2 650 1 117 VAL H 1 117 VAL HB . . 2.980 2.563 2.563 2.563 . 0 0 "[ ]" 2 651 1 117 VAL H 1 118 GLU H . . 5.870 4.512 4.512 4.512 . 0 0 "[ ]" 2 652 1 117 VAL HA 1 118 GLU H . . 2.570 2.461 2.461 2.461 . 0 0 "[ ]" 2 653 1 117 VAL QG 1 118 GLU H . . 6.050 1.917 1.917 1.917 . 0 0 "[ ]" 2 654 1 118 GLU H 1 118 GLU HB2 . . 3.560 3.345 3.345 3.345 . 0 0 "[ ]" 2 655 1 118 GLU H 1 118 GLU HB3 . . 3.290 2.629 2.629 2.629 . 0 0 "[ ]" 2 656 1 118 GLU H 1 119 VAL H . . 5.780 4.307 4.307 4.307 . 0 0 "[ ]" 2 657 1 118 GLU HA 1 119 VAL H . . 2.570 2.228 2.228 2.228 . 0 0 "[ ]" 2 658 1 118 GLU HB2 1 119 VAL H . . 4.110 4.155 4.155 4.155 0.045 1 0 "[ ]" 2 659 1 118 GLU HG2 1 119 VAL H . . 6.410 3.367 3.367 3.367 . 0 0 "[ ]" 2 660 1 118 GLU HG3 1 119 VAL H . . 6.410 2.714 2.714 2.714 . 0 0 "[ ]" 2 661 1 118 GLU QG 1 119 VAL H . . 6.000 2.607 2.607 2.607 . 0 0 "[ ]" 2 662 1 119 VAL H 1 119 VAL HB . . 2.850 2.557 2.557 2.557 . 0 0 "[ ]" 2 663 1 119 VAL HA 1 120 LYS H . . 2.640 2.185 2.185 2.185 . 0 0 "[ ]" 2 664 1 119 VAL HB 1 120 LYS H . . 4.280 4.326 4.326 4.326 0.046 1 0 "[ ]" 2 665 1 119 VAL QG 1 120 LYS H . . 7.470 2.857 2.857 2.857 . 0 0 "[ ]" 2 666 1 120 LYS H 1 120 LYS HB2 . . 4.040 3.925 3.925 3.925 . 0 0 "[ ]" 2 667 1 120 LYS H 1 120 LYS HB3 . . 4.040 3.264 3.264 3.264 . 0 0 "[ ]" 2 668 1 120 LYS H 1 120 LYS QB . . 3.840 3.112 3.112 3.112 . 0 0 "[ ]" 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 88 _Distance_constraint_stats_list.Viol_count 15 _Distance_constraint_stats_list.Viol_total 0.952 _Distance_constraint_stats_list.Viol_max 0.114 _Distance_constraint_stats_list.Viol_rms 0.0275 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0108 _Distance_constraint_stats_list.Viol_average_violations_only 0.0634 _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 THR 0.133 0.081 1 0 "[ ]" 1 4 LYS 0.114 0.114 1 0 "[ ]" 1 5 ASP 0.000 0.000 . 0 "[ ]" 1 6 GLN 0.133 0.081 1 0 "[ ]" 1 7 ILE 0.168 0.094 1 0 "[ ]" 1 8 ILE 0.203 0.114 1 0 "[ ]" 1 9 GLU 0.000 0.000 . 0 "[ ]" 1 10 ALA 0.094 0.094 1 0 "[ ]" 1 11 VAL 0.074 0.074 1 0 "[ ]" 1 12 ALA 0.089 0.089 1 0 "[ ]" 1 15 SER 0.073 0.073 1 0 "[ ]" 1 16 VAL 0.000 0.000 . 0 "[ ]" 1 17 MET 0.000 0.000 . 0 "[ ]" 1 18 ASP 0.000 0.000 . 0 "[ ]" 1 19 VAL 0.073 0.073 1 0 "[ ]" 1 20 VAL 0.000 0.000 . 0 "[ ]" 1 21 GLU 0.000 0.000 . 0 "[ ]" 1 22 LEU 0.000 0.000 . 0 "[ ]" 1 23 ILE 0.000 0.000 . 0 "[ ]" 1 25 ALA 0.000 0.000 . 0 "[ ]" 1 26 MET 0.000 0.000 . 0 "[ ]" 1 27 GLU 0.000 0.000 . 0 "[ ]" 2 3 THR 0.000 0.000 . 0 "[ ]" 2 4 LYS 0.055 0.055 1 0 "[ ]" 2 5 ASP 0.000 0.000 . 0 "[ ]" 2 6 GLN 0.000 0.000 . 0 "[ ]" 2 7 ILE 0.000 0.000 . 0 "[ ]" 2 8 ILE 0.132 0.072 1 0 "[ ]" 2 9 GLU 0.000 0.000 . 0 "[ ]" 2 10 ALA 0.000 0.000 . 0 "[ ]" 2 11 VAL 0.000 0.000 . 0 "[ ]" 2 12 ALA 0.077 0.072 1 0 "[ ]" 2 15 SER 0.000 0.000 . 0 "[ ]" 2 16 VAL 0.000 0.000 . 0 "[ ]" 2 17 MET 0.000 0.000 . 0 "[ ]" 2 18 ASP 0.096 0.089 1 0 "[ ]" 2 19 VAL 0.000 0.000 . 0 "[ ]" 2 20 VAL 0.000 0.000 . 0 "[ ]" 2 21 GLU 0.000 0.000 . 0 "[ ]" 2 22 LEU 0.243 0.089 1 0 "[ ]" 2 23 ILE 0.000 0.000 . 0 "[ ]" 2 25 ALA 0.000 0.000 . 0 "[ ]" 2 26 MET 0.147 0.075 1 0 "[ ]" 2 27 GLU 0.000 0.000 . 0 "[ ]" 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 3 THR OG1 1 6 GLN N . 2.600 3.400 3.481 3.481 3.481 0.081 1 0 "[ ]" 3 2 1 3 THR OG1 1 6 GLN H . . 2.500 2.552 2.552 2.552 0.052 1 0 "[ ]" 3 3 1 4 LYS O 1 7 ILE N . 2.700 3.400 2.852 2.852 2.852 . 0 0 "[ ]" 3 4 1 4 LYS C 1 7 ILE H . 2.300 3.500 2.628 2.628 2.628 . 0 0 "[ ]" 3 5 1 4 LYS O 1 7 ILE H . . 2.400 2.106 2.106 2.106 . 0 0 "[ ]" 3 6 1 4 LYS O 1 8 ILE N . 2.600 3.300 3.148 3.148 3.148 . 0 0 "[ ]" 3 7 1 4 LYS C 1 8 ILE H . 2.600 3.500 3.437 3.437 3.437 . 0 0 "[ ]" 3 8 1 4 LYS O 1 8 ILE H . . 2.300 2.414 2.414 2.414 0.114 1 0 "[ ]" 3 9 1 5 ASP O 1 9 GLU N . 2.600 3.300 3.220 3.220 3.220 . 0 0 "[ ]" 3 10 1 5 ASP C 1 9 GLU H . 2.600 3.500 3.466 3.466 3.466 . 0 0 "[ ]" 3 11 1 5 ASP O 1 9 GLU H . . 2.300 2.298 2.298 2.298 . 0 0 "[ ]" 3 12 1 7 ILE O 1 10 ALA N . 2.700 3.400 3.249 3.249 3.249 . 0 0 "[ ]" 3 13 1 7 ILE C 1 10 ALA H . 2.300 3.500 2.611 2.611 2.611 . 0 0 "[ ]" 3 14 1 7 ILE O 1 10 ALA H . . 2.400 2.494 2.494 2.494 0.094 1 0 "[ ]" 3 15 1 7 ILE O 1 11 VAL N . 2.600 3.300 3.231 3.231 3.231 . 0 0 "[ ]" 3 16 1 7 ILE C 1 11 VAL H . 2.600 3.500 3.392 3.392 3.392 . 0 0 "[ ]" 3 17 1 7 ILE O 1 11 VAL H . . 2.300 2.374 2.374 2.374 0.074 1 0 "[ ]" 3 18 1 8 ILE O 1 12 ALA N . 2.700 3.300 3.239 3.239 3.239 . 0 0 "[ ]" 3 19 1 8 ILE C 1 12 ALA H . 2.300 3.500 3.407 3.407 3.407 . 0 0 "[ ]" 3 20 1 8 ILE O 1 12 ALA H . . 2.300 2.389 2.389 2.389 0.089 1 0 "[ ]" 3 21 1 15 SER O 1 19 VAL N . 2.600 3.300 3.177 3.177 3.177 . 0 0 "[ ]" 3 22 1 15 SER C 1 19 VAL H . 2.600 3.500 3.420 3.420 3.420 . 0 0 "[ ]" 3 23 1 15 SER O 1 19 VAL H . . 2.300 2.373 2.373 2.373 0.073 1 0 "[ ]" 3 24 1 16 VAL O 1 20 VAL N . 2.600 3.300 2.801 2.801 2.801 . 0 0 "[ ]" 3 25 1 16 VAL C 1 20 VAL H . 2.600 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 3 26 1 16 VAL O 1 20 VAL H . . 2.300 1.916 1.916 1.916 . 0 0 "[ ]" 3 27 1 17 MET O 1 21 GLU N . 2.600 3.300 2.888 2.888 2.888 . 0 0 "[ ]" 3 28 1 17 MET C 1 21 GLU H . 2.600 3.500 3.094 3.094 3.094 . 0 0 "[ ]" 3 29 1 17 MET O 1 21 GLU H . . 2.300 1.903 1.903 1.903 . 0 0 "[ ]" 3 30 1 18 ASP O 1 22 LEU N . 2.600 3.300 3.062 3.062 3.062 . 0 0 "[ ]" 3 31 1 18 ASP C 1 22 LEU H . 2.600 3.500 3.067 3.067 3.067 . 0 0 "[ ]" 3 32 1 18 ASP O 1 22 LEU H . . 2.300 2.102 2.102 2.102 . 0 0 "[ ]" 3 33 1 19 VAL O 1 23 ILE N . 2.600 3.300 2.943 2.943 2.943 . 0 0 "[ ]" 3 34 1 19 VAL C 1 23 ILE H . 2.600 3.500 3.123 3.123 3.123 . 0 0 "[ ]" 3 35 1 19 VAL O 1 23 ILE H . . 2.300 1.969 1.969 1.969 . 0 0 "[ ]" 3 36 1 21 GLU O 1 25 ALA N . 2.600 3.300 2.696 2.696 2.696 . 0 0 "[ ]" 3 37 1 21 GLU C 1 25 ALA H . 2.600 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 3 38 1 21 GLU O 1 25 ALA H . . 2.300 1.844 1.844 1.844 . 0 0 "[ ]" 3 39 1 22 LEU O 1 26 MET N . 2.600 3.300 2.972 2.972 2.972 . 0 0 "[ ]" 3 40 1 22 LEU C 1 26 MET H . 2.600 3.500 3.259 3.259 3.259 . 0 0 "[ ]" 3 41 1 22 LEU O 1 26 MET H . . 2.300 2.076 2.076 2.076 . 0 0 "[ ]" 3 42 1 23 ILE O 1 27 GLU N . 2.600 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 3 43 1 23 ILE C 1 27 GLU H . 2.600 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 3 44 1 23 ILE O 1 27 GLU H . . 2.300 1.898 1.898 1.898 . 0 0 "[ ]" 3 45 2 3 THR OG1 2 6 GLN N . 2.600 3.400 3.352 3.352 3.352 . 0 0 "[ ]" 3 46 2 3 THR OG1 2 6 GLN H . . 2.500 2.424 2.424 2.424 . 0 0 "[ ]" 3 47 2 4 LYS O 2 7 ILE N . 2.700 3.400 3.017 3.017 3.017 . 0 0 "[ ]" 3 48 2 4 LYS C 2 7 ILE H . 2.300 3.500 2.714 2.714 2.714 . 0 0 "[ ]" 3 49 2 4 LYS O 2 7 ILE H . . 2.400 2.227 2.227 2.227 . 0 0 "[ ]" 3 50 2 4 LYS O 2 8 ILE N . 2.600 3.300 3.193 3.193 3.193 . 0 0 "[ ]" 3 51 2 4 LYS C 2 8 ILE H . 2.600 3.500 3.386 3.386 3.386 . 0 0 "[ ]" 3 52 2 4 LYS O 2 8 ILE H . . 2.300 2.355 2.355 2.355 0.055 1 0 "[ ]" 3 53 2 5 ASP O 2 9 GLU N . 2.600 3.300 3.136 3.136 3.136 . 0 0 "[ ]" 3 54 2 5 ASP C 2 9 GLU H . 2.600 3.500 3.393 3.393 3.393 . 0 0 "[ ]" 3 55 2 5 ASP O 2 9 GLU H . . 2.300 2.208 2.208 2.208 . 0 0 "[ ]" 3 56 2 7 ILE O 2 10 ALA N . 2.700 3.400 2.931 2.931 2.931 . 0 0 "[ ]" 3 57 2 7 ILE C 2 10 ALA H . 2.300 3.500 2.470 2.470 2.470 . 0 0 "[ ]" 3 58 2 7 ILE O 2 10 ALA H . . 2.400 2.150 2.150 2.150 . 0 0 "[ ]" 3 59 2 7 ILE O 2 11 VAL N . 2.600 3.300 3.074 3.074 3.074 . 0 0 "[ ]" 3 60 2 7 ILE C 2 11 VAL H . 2.600 3.500 3.346 3.346 3.346 . 0 0 "[ ]" 3 61 2 7 ILE O 2 11 VAL H . . 2.300 2.247 2.247 2.247 . 0 0 "[ ]" 3 62 2 8 ILE O 2 12 ALA N . 2.700 3.400 3.329 3.329 3.329 . 0 0 "[ ]" 3 63 2 8 ILE C 2 12 ALA H . 2.300 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 3 64 2 8 ILE O 2 12 ALA H . . 2.400 2.472 2.472 2.472 0.072 1 0 "[ ]" 3 65 2 15 SER O 2 19 VAL N . 2.600 3.300 2.918 2.918 2.918 . 0 0 "[ ]" 3 66 2 15 SER C 2 19 VAL H . 2.600 3.500 3.159 3.159 3.159 . 0 0 "[ ]" 3 67 2 15 SER O 2 19 VAL H . . 2.300 2.135 2.135 2.135 . 0 0 "[ ]" 3 68 2 16 VAL O 2 20 VAL N . 2.600 3.300 2.766 2.766 2.766 . 0 0 "[ ]" 3 69 2 16 VAL C 2 20 VAL H . 2.600 3.500 2.984 2.984 2.984 . 0 0 "[ ]" 3 70 2 16 VAL O 2 20 VAL H . . 2.300 1.851 1.851 1.851 . 0 0 "[ ]" 3 71 2 17 MET O 2 21 GLU N . 2.600 3.300 3.174 3.174 3.174 . 0 0 "[ ]" 3 72 2 17 MET C 2 21 GLU H . 2.600 3.500 3.359 3.359 3.359 . 0 0 "[ ]" 3 73 2 17 MET O 2 21 GLU H . . 2.300 2.256 2.256 2.256 . 0 0 "[ ]" 3 74 2 18 ASP O 2 22 LEU N . 2.600 3.300 3.307 3.307 3.307 0.007 1 0 "[ ]" 3 75 2 18 ASP C 2 22 LEU H . 2.600 3.500 3.313 3.313 3.313 . 0 0 "[ ]" 3 76 2 18 ASP O 2 22 LEU H . . 2.300 2.389 2.389 2.389 0.089 1 0 "[ ]" 3 77 2 19 VAL O 2 23 ILE N . 2.600 3.300 2.922 2.922 2.922 . 0 0 "[ ]" 3 78 2 19 VAL C 2 23 ILE H . 2.600 3.500 3.212 3.212 3.212 . 0 0 "[ ]" 3 79 2 19 VAL O 2 23 ILE H . . 2.300 1.984 1.984 1.984 . 0 0 "[ ]" 3 80 2 21 GLU O 2 25 ALA N . 2.600 3.300 2.714 2.714 2.714 . 0 0 "[ ]" 3 81 2 21 GLU C 2 25 ALA H . 2.600 3.500 2.954 2.954 2.954 . 0 0 "[ ]" 3 82 2 21 GLU O 2 25 ALA H . . 2.300 1.835 1.835 1.835 . 0 0 "[ ]" 3 83 2 22 LEU O 2 26 MET N . 2.600 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 3 84 2 22 LEU C 2 26 MET H . 2.600 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 3 85 2 22 LEU O 2 26 MET H . . 2.300 2.375 2.375 2.375 0.075 1 0 "[ ]" 3 86 2 23 ILE O 2 27 GLU N . 2.600 3.300 3.036 3.036 3.036 . 0 0 "[ ]" 3 87 2 23 ILE C 2 27 GLU H . 2.600 3.500 3.192 3.192 3.192 . 0 0 "[ ]" 3 88 2 23 ILE O 2 27 GLU H . . 2.300 2.052 2.052 2.052 . 0 0 "[ ]" 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 133 _Distance_constraint_stats_list.Viol_count 9 _Distance_constraint_stats_list.Viol_total 0.438 _Distance_constraint_stats_list.Viol_max 0.093 _Distance_constraint_stats_list.Viol_rms 0.0152 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0033 _Distance_constraint_stats_list.Viol_average_violations_only 0.0486 _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 54 PHE 0.000 0.000 . 0 "[ ]" 1 55 ASP 0.000 0.000 . 0 "[ ]" 1 56 VAL 0.000 0.000 . 0 "[ ]" 1 57 ILE 0.000 0.000 . 0 "[ ]" 1 58 LEU 0.000 0.000 . 0 "[ ]" 1 59 LYS 0.088 0.088 1 0 "[ ]" 1 60 ALA 0.088 0.088 1 0 "[ ]" 1 64 ASN 0.000 0.000 . 0 "[ ]" 1 65 LYS 0.000 0.000 . 0 "[ ]" 1 66 VAL 0.000 0.000 . 0 "[ ]" 1 67 ALA 0.000 0.000 . 0 "[ ]" 1 68 VAL 0.016 0.016 1 0 "[ ]" 1 69 ILE 0.000 0.000 . 0 "[ ]" 1 70 LYS 0.000 0.000 . 0 "[ ]" 1 71 ALA 0.000 0.000 . 0 "[ ]" 1 72 VAL 0.016 0.016 1 0 "[ ]" 1 73 ARG 0.000 0.000 . 0 "[ ]" 1 76 THR 0.069 0.069 1 0 "[ ]" 1 78 LEU 0.069 0.069 1 0 "[ ]" 1 79 GLY 0.000 0.000 . 0 "[ ]" 1 80 LEU 0.000 0.000 . 0 "[ ]" 1 81 LYS 0.000 0.000 . 0 "[ ]" 1 82 GLU 0.000 0.000 . 0 "[ ]" 1 83 ALA 0.000 0.000 . 0 "[ ]" 1 84 LYS 0.000 0.000 . 0 "[ ]" 1 85 ASP 0.000 0.000 . 0 "[ ]" 1 86 LEU 0.000 0.000 . 0 "[ ]" 1 87 VAL 0.000 0.000 . 0 "[ ]" 1 88 GLU 0.000 0.000 . 0 "[ ]" 1 89 SER 0.000 0.000 . 0 "[ ]" 1 90 ALA 0.000 0.000 . 0 "[ ]" 1 92 ALA 0.000 0.000 . 0 "[ ]" 1 94 LEU 0.000 0.000 . 0 "[ ]" 1 95 LYS 0.000 0.000 . 0 "[ ]" 1 97 GLY 0.000 0.000 . 0 "[ ]" 1 98 VAL 0.000 0.000 . 0 "[ ]" 1 99 SER 0.015 0.010 1 0 "[ ]" 1 100 LYS 0.000 0.000 . 0 "[ ]" 1 101 ASP 0.000 0.000 . 0 "[ ]" 1 102 ASP 0.015 0.010 1 0 "[ ]" 1 103 ALA 0.000 0.000 . 0 "[ ]" 1 104 GLU 0.000 0.000 . 0 "[ ]" 1 105 ALA 0.093 0.093 1 0 "[ ]" 1 106 LEU 0.000 0.000 . 0 "[ ]" 1 107 LYS 0.000 0.000 . 0 "[ ]" 1 108 LYS 0.000 0.000 . 0 "[ ]" 1 109 ALA 0.115 0.093 1 0 "[ ]" 1 110 LEU 0.047 0.047 1 0 "[ ]" 1 111 GLU 0.000 0.000 . 0 "[ ]" 1 112 GLU 0.000 0.000 . 0 "[ ]" 1 113 ALA 0.022 0.022 1 0 "[ ]" 1 114 GLY 0.047 0.047 1 0 "[ ]" 1 115 ALA 0.000 0.000 . 0 "[ ]" 1 116 GLU 0.177 0.088 1 0 "[ ]" 1 118 GLU 0.000 0.000 . 0 "[ ]" 1 120 LYS 0.000 0.000 . 0 "[ ]" 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 54 PHE N 1 98 VAL O . 2.600 3.300 2.850 2.850 2.850 . 0 0 "[ ]" 4 2 1 54 PHE H 1 98 VAL C . 2.600 3.500 2.973 2.973 2.973 . 0 0 "[ ]" 4 3 1 54 PHE H 1 98 VAL O . . 2.200 1.855 1.855 1.855 . 0 0 "[ ]" 4 4 1 55 ASP H 1 120 LYS C . 2.600 3.500 3.066 3.066 3.066 . 0 0 "[ ]" 4 5 1 56 VAL N 1 95 LYS O . 2.600 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 4 6 1 56 VAL H 1 95 LYS C . 2.600 3.500 2.994 2.994 2.994 . 0 0 "[ ]" 4 7 1 56 VAL H 1 95 LYS O . . 2.200 2.112 2.112 2.112 . 0 0 "[ ]" 4 8 1 57 ILE N 1 118 GLU O . 2.600 3.300 2.829 2.829 2.829 . 0 0 "[ ]" 4 9 1 57 ILE H 1 118 GLU C . 2.600 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 4 10 1 57 ILE H 1 118 GLU O . . 2.200 1.854 1.854 1.854 . 0 0 "[ ]" 4 11 1 58 LEU N 1 92 ALA O . 2.600 3.300 2.792 2.792 2.792 . 0 0 "[ ]" 4 12 1 58 LEU H 1 92 ALA C . 2.600 3.500 2.910 2.910 2.910 . 0 0 "[ ]" 4 13 1 58 LEU H 1 92 ALA O . . 2.200 1.810 1.810 1.810 . 0 0 "[ ]" 4 14 1 59 LYS N 1 116 GLU O . 2.600 3.300 3.215 3.215 3.215 . 0 0 "[ ]" 4 15 1 59 LYS H 1 116 GLU C . 2.600 3.500 3.360 3.360 3.360 . 0 0 "[ ]" 4 16 1 59 LYS H 1 116 GLU O . . 2.200 2.288 2.288 2.288 0.088 1 0 "[ ]" 4 17 1 60 ALA N 1 116 GLU O . 2.600 3.300 3.259 3.259 3.259 . 0 0 "[ ]" 4 18 1 60 ALA H 1 116 GLU C . 2.600 3.500 3.207 3.207 3.207 . 0 0 "[ ]" 4 19 1 60 ALA H 1 116 GLU O . . 2.200 2.288 2.288 2.288 0.088 1 0 "[ ]" 4 20 1 64 ASN O 1 68 VAL N . 2.600 3.300 3.047 3.047 3.047 . 0 0 "[ ]" 4 21 1 64 ASN C 1 68 VAL H . 2.600 3.500 3.205 3.205 3.205 . 0 0 "[ ]" 4 22 1 64 ASN O 1 68 VAL H . . 2.300 2.071 2.071 2.071 . 0 0 "[ ]" 4 23 1 65 LYS O 1 69 ILE N . 2.600 3.300 2.845 2.845 2.845 . 0 0 "[ ]" 4 24 1 65 LYS C 1 69 ILE H . 2.600 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 4 25 1 65 LYS O 1 69 ILE H . . 2.300 1.853 1.853 1.853 . 0 0 "[ ]" 4 26 1 66 VAL O 1 70 LYS N . 2.600 3.300 3.124 3.124 3.124 . 0 0 "[ ]" 4 27 1 66 VAL C 1 70 LYS H . 2.600 3.500 3.314 3.314 3.314 . 0 0 "[ ]" 4 28 1 66 VAL O 1 70 LYS H . . 2.300 2.211 2.211 2.211 . 0 0 "[ ]" 4 29 1 67 ALA O 1 71 ALA N . 2.600 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 4 30 1 67 ALA C 1 71 ALA H . 2.600 3.500 3.064 3.064 3.064 . 0 0 "[ ]" 4 31 1 67 ALA O 1 71 ALA H . . 2.300 1.919 1.919 1.919 . 0 0 "[ ]" 4 32 1 68 VAL O 1 72 VAL N . 2.600 3.300 2.738 2.738 2.738 . 0 0 "[ ]" 4 33 1 68 VAL C 1 72 VAL H . 2.600 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 4 34 1 68 VAL O 1 72 VAL H . . 2.300 1.784 1.784 1.784 0.016 1 0 "[ ]" 4 35 1 69 ILE O 1 73 ARG N . 2.600 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 4 36 1 69 ILE C 1 73 ARG H . 2.600 3.500 3.302 3.302 3.302 . 0 0 "[ ]" 4 37 1 69 ILE O 1 73 ARG H . . 2.300 2.120 2.120 2.120 . 0 0 "[ ]" 4 38 1 72 VAL O 1 76 THR N . 2.600 3.300 2.854 2.854 2.854 . 0 0 "[ ]" 4 39 1 72 VAL C 1 76 THR H . 2.600 3.500 3.154 3.154 3.154 . 0 0 "[ ]" 4 40 1 72 VAL O 1 76 THR H . . 2.300 2.022 2.022 2.022 . 0 0 "[ ]" 4 41 1 79 GLY O 1 83 ALA N . 2.600 3.300 2.808 2.808 2.808 . 0 0 "[ ]" 4 42 1 79 GLY C 1 83 ALA H . 2.600 3.500 3.043 3.043 3.043 . 0 0 "[ ]" 4 43 1 79 GLY O 1 83 ALA H . . 2.300 1.826 1.826 1.826 . 0 0 "[ ]" 4 44 1 80 LEU O 1 84 LYS N . 2.600 3.300 2.849 2.849 2.849 . 0 0 "[ ]" 4 45 1 80 LEU C 1 84 LYS H . 2.600 3.500 3.011 3.011 3.011 . 0 0 "[ ]" 4 46 1 80 LEU O 1 84 LYS H . . 2.300 1.909 1.909 1.909 . 0 0 "[ ]" 4 47 1 81 LYS O 1 85 ASP N . 2.600 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 4 48 1 81 LYS C 1 85 ASP H . 2.600 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 4 49 1 81 LYS O 1 85 ASP H . . 2.300 1.852 1.852 1.852 . 0 0 "[ ]" 4 50 1 82 GLU O 1 86 LEU N . 2.600 3.300 2.812 2.812 2.812 . 0 0 "[ ]" 4 51 1 82 GLU C 1 86 LEU H . 2.600 3.500 2.972 2.972 2.972 . 0 0 "[ ]" 4 52 1 82 GLU O 1 86 LEU H . . 2.300 1.836 1.836 1.836 . 0 0 "[ ]" 4 53 1 83 ALA O 1 87 VAL N . 2.600 3.300 2.984 2.984 2.984 . 0 0 "[ ]" 4 54 1 83 ALA C 1 87 VAL H . 2.600 3.500 3.187 3.187 3.187 . 0 0 "[ ]" 4 55 1 83 ALA O 1 87 VAL H . . 2.300 1.999 1.999 1.999 . 0 0 "[ ]" 4 56 1 84 LYS O 1 88 GLU N . 2.600 3.300 2.814 2.814 2.814 . 0 0 "[ ]" 4 57 1 84 LYS C 1 88 GLU H . 2.600 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 4 58 1 84 LYS O 1 88 GLU H . . 2.300 1.878 1.878 1.878 . 0 0 "[ ]" 4 59 1 86 LEU O 1 89 SER N . 2.700 3.400 2.821 2.821 2.821 . 0 0 "[ ]" 4 60 1 86 LEU C 1 89 SER H . 2.300 3.500 2.514 2.514 2.514 . 0 0 "[ ]" 4 61 1 86 LEU O 1 89 SER H . . 2.400 1.937 1.937 1.937 . 0 0 "[ ]" 4 62 1 87 VAL O 1 90 ALA N . 2.700 3.400 3.057 3.057 3.057 . 0 0 "[ ]" 4 63 1 87 VAL C 1 90 ALA H . 2.300 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 4 64 1 87 VAL O 1 90 ALA H . . 2.400 2.186 2.186 2.186 . 0 0 "[ ]" 4 65 1 58 LEU O 1 92 ALA N . 2.600 3.300 3.006 3.006 3.006 . 0 0 "[ ]" 4 66 1 58 LEU C 1 92 ALA H . 2.600 3.500 3.168 3.168 3.168 . 0 0 "[ ]" 4 67 1 58 LEU O 1 92 ALA H . . 2.200 2.067 2.067 2.067 . 0 0 "[ ]" 4 68 1 56 VAL O 1 94 LEU N . 2.600 3.300 2.741 2.741 2.741 . 0 0 "[ ]" 4 69 1 56 VAL C 1 94 LEU H . 2.600 3.500 2.946 2.946 2.946 . 0 0 "[ ]" 4 70 1 56 VAL O 1 94 LEU H . . 2.200 1.853 1.853 1.853 . 0 0 "[ ]" 4 71 1 56 VAL O 1 95 LYS N . 2.600 3.300 3.056 3.056 3.056 . 0 0 "[ ]" 4 72 1 56 VAL C 1 95 LYS H . 2.600 3.500 3.143 3.143 3.143 . 0 0 "[ ]" 4 73 1 56 VAL O 1 95 LYS H . . 2.200 2.105 2.105 2.105 . 0 0 "[ ]" 4 74 1 54 PHE O 1 98 VAL N . 2.600 3.300 2.872 2.872 2.872 . 0 0 "[ ]" 4 75 1 54 PHE C 1 98 VAL H . 2.600 3.500 2.967 2.967 2.967 . 0 0 "[ ]" 4 76 1 54 PHE O 1 98 VAL H . . 2.200 1.878 1.878 1.878 . 0 0 "[ ]" 4 77 1 99 SER O 1 103 ALA N . 2.600 3.300 2.874 2.874 2.874 . 0 0 "[ ]" 4 78 1 99 SER C 1 103 ALA H . 2.600 3.500 3.063 3.063 3.063 . 0 0 "[ ]" 4 79 1 99 SER O 1 103 ALA H . . 2.300 1.921 1.921 1.921 . 0 0 "[ ]" 4 80 1 100 LYS O 1 104 GLU N . 2.600 3.300 2.776 2.776 2.776 . 0 0 "[ ]" 4 81 1 100 LYS C 1 104 GLU H . 2.600 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 4 82 1 100 LYS O 1 104 GLU H . . 2.300 1.800 1.800 1.800 . 0 0 "[ ]" 4 83 1 101 ASP O 1 105 ALA N . 2.600 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 4 84 1 101 ASP C 1 105 ALA H . 2.600 3.500 3.094 3.094 3.094 . 0 0 "[ ]" 4 85 1 101 ASP O 1 105 ALA H . . 2.300 2.125 2.125 2.125 . 0 0 "[ ]" 4 86 1 102 ASP O 1 106 LEU N . 2.600 3.300 3.054 3.054 3.054 . 0 0 "[ ]" 4 87 1 102 ASP C 1 106 LEU H . 2.600 3.500 3.272 3.272 3.272 . 0 0 "[ ]" 4 88 1 102 ASP O 1 106 LEU H . . 2.300 2.088 2.088 2.088 . 0 0 "[ ]" 4 89 1 103 ALA O 1 107 LYS N . 2.600 3.300 2.927 2.927 2.927 . 0 0 "[ ]" 4 90 1 103 ALA C 1 107 LYS H . 2.600 3.500 3.053 3.053 3.053 . 0 0 "[ ]" 4 91 1 103 ALA O 1 107 LYS H . . 2.300 1.973 1.973 1.973 . 0 0 "[ ]" 4 92 1 104 GLU O 1 108 LYS N . 2.600 3.300 2.883 2.883 2.883 . 0 0 "[ ]" 4 93 1 104 GLU C 1 108 LYS H . 2.600 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 4 94 1 104 GLU O 1 108 LYS H . . 2.300 1.898 1.898 1.898 . 0 0 "[ ]" 4 95 1 105 ALA O 1 109 ALA N . 2.600 3.300 3.234 3.234 3.234 . 0 0 "[ ]" 4 96 1 105 ALA C 1 109 ALA H . 2.600 3.500 3.310 3.310 3.310 . 0 0 "[ ]" 4 97 1 105 ALA O 1 109 ALA H . . 2.300 2.393 2.393 2.393 0.093 1 0 "[ ]" 4 98 1 106 LEU O 1 110 LEU N . 2.600 3.300 2.811 2.811 2.811 . 0 0 "[ ]" 4 99 1 106 LEU C 1 110 LEU H . 2.600 3.500 3.063 3.063 3.063 . 0 0 "[ ]" 4 100 1 106 LEU O 1 110 LEU H . . 2.300 1.906 1.906 1.906 . 0 0 "[ ]" 4 101 1 107 LYS O 1 111 GLU N . 2.600 3.300 2.956 2.956 2.956 . 0 0 "[ ]" 4 102 1 107 LYS C 1 111 GLU H . 2.600 3.500 3.148 3.148 3.148 . 0 0 "[ ]" 4 103 1 107 LYS O 1 111 GLU H . . 2.300 2.010 2.010 2.010 . 0 0 "[ ]" 4 104 1 108 LYS O 1 112 GLU N . 2.600 3.300 2.842 2.842 2.842 . 0 0 "[ ]" 4 105 1 108 LYS C 1 112 GLU H . 2.600 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 4 106 1 108 LYS O 1 112 GLU H . . 2.300 1.890 1.890 1.890 . 0 0 "[ ]" 4 107 1 109 ALA O 1 113 ALA N . 2.600 3.300 3.156 3.156 3.156 . 0 0 "[ ]" 4 108 1 109 ALA C 1 113 ALA H . 2.600 3.500 3.338 3.338 3.338 . 0 0 "[ ]" 4 109 1 109 ALA O 1 113 ALA H . . 2.300 2.322 2.322 2.322 0.022 1 0 "[ ]" 4 110 1 110 LEU O 1 114 GLY N . 2.400 3.500 2.681 2.681 2.681 . 0 0 "[ ]" 4 111 1 110 LEU C 1 114 GLY H . 2.300 3.600 2.907 2.907 2.907 . 0 0 "[ ]" 4 112 1 110 LEU O 1 114 GLY H . . 2.500 1.853 1.853 1.853 0.047 1 0 "[ ]" 4 113 1 111 GLU O 1 114 GLY N . 2.400 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 4 114 1 111 GLU C 1 114 GLY H . 2.300 3.600 2.589 2.589 2.589 . 0 0 "[ ]" 4 115 1 111 GLU O 1 114 GLY H . . 2.500 2.318 2.318 2.318 . 0 0 "[ ]" 4 116 1 110 LEU O 1 115 ALA N . 2.600 3.300 2.948 2.948 2.948 . 0 0 "[ ]" 4 117 1 110 LEU C 1 115 ALA H . 2.600 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 4 118 1 110 LEU O 1 115 ALA H . . 2.200 2.184 2.184 2.184 . 0 0 "[ ]" 4 119 1 60 ALA O 1 116 GLU N . 2.600 3.300 2.781 2.781 2.781 . 0 0 "[ ]" 4 120 1 60 ALA C 1 116 GLU H . 2.600 3.500 2.985 2.985 2.985 . 0 0 "[ ]" 4 121 1 60 ALA O 1 116 GLU H . . 2.200 1.867 1.867 1.867 . 0 0 "[ ]" 4 122 1 57 ILE O 1 118 GLU N . 2.600 3.300 2.770 2.770 2.770 . 0 0 "[ ]" 4 123 1 57 ILE C 1 118 GLU H . 2.600 3.500 3.074 3.074 3.074 . 0 0 "[ ]" 4 124 1 57 ILE O 1 118 GLU H . . 2.200 1.887 1.887 1.887 . 0 0 "[ ]" 4 125 1 55 ASP O 1 120 LYS N . 2.600 3.300 3.109 3.109 3.109 . 0 0 "[ ]" 4 126 1 55 ASP C 1 120 LYS H . 2.600 3.500 3.271 3.271 3.271 . 0 0 "[ ]" 4 127 1 55 ASP O 1 120 LYS H . . 2.200 2.121 2.121 2.121 . 0 0 "[ ]" 4 128 1 76 THR OG1 1 78 LEU N . 2.600 3.400 3.469 3.469 3.469 0.069 1 0 "[ ]" 4 129 1 76 THR OG1 1 78 LEU H . . 2.500 2.497 2.497 2.497 . 0 0 "[ ]" 4 130 1 55 ASP OD1 1 97 GLY N . 2.600 3.400 2.918 2.918 2.918 . 0 0 "[ ]" 4 131 1 55 ASP OD1 1 97 GLY H . . 2.400 2.011 2.011 2.011 . 0 0 "[ ]" 4 132 1 99 SER OG 1 102 ASP N . 2.600 3.400 3.410 3.410 3.410 0.010 1 0 "[ ]" 4 133 1 99 SER OG 1 102 ASP H . . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 4 stop_ save_
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