NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
482798 | 1rqv | 4429 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rqv 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 630 _Distance_constraint_stats_list.Viol_count 92 _Distance_constraint_stats_list.Viol_total 18.208 _Distance_constraint_stats_list.Viol_max 3.960 _Distance_constraint_stats_list.Viol_rms 0.2005 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0289 _Distance_constraint_stats_list.Viol_average_violations_only 0.1979 _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 0.000 0.000 . 0 "[ ]" 1 2 ILE 0.123 0.066 1 0 "[ ]" 1 3 THR 0.097 0.043 1 0 "[ ]" 1 4 LYS 0.224 0.120 1 0 "[ ]" 1 5 ASP 0.351 0.120 1 0 "[ ]" 1 6 GLN 0.054 0.029 1 0 "[ ]" 1 7 ILE 0.080 0.051 1 0 "[ ]" 1 8 ILE 0.000 0.000 . 0 "[ ]" 1 9 GLU 0.048 0.048 1 0 "[ ]" 1 10 ALA 0.182 0.105 1 0 "[ ]" 1 11 VAL 0.258 0.124 1 0 "[ ]" 1 12 ALA 0.000 0.000 . 0 "[ ]" 1 13 ALA 0.028 0.028 1 0 "[ ]" 1 14 MET 0.081 0.030 1 0 "[ ]" 1 15 SER 0.186 0.089 1 0 "[ ]" 1 16 VAL 0.061 0.061 1 0 "[ ]" 1 17 MET 0.080 0.080 1 0 "[ ]" 1 18 ASP 0.080 0.080 1 0 "[ ]" 1 19 VAL 0.000 0.000 . 0 "[ ]" 1 20 VAL 0.016 0.016 1 0 "[ ]" 1 21 GLU 0.138 0.096 1 0 "[ ]" 1 22 LEU 0.303 0.096 1 0 "[ ]" 1 23 ILE 0.201 0.096 1 0 "[ ]" 1 24 SER 0.153 0.078 1 0 "[ ]" 1 25 ALA 0.203 0.078 1 0 "[ ]" 1 26 MET 0.356 0.127 1 0 "[ ]" 1 27 GLU 0.207 0.123 1 0 "[ ]" 1 28 GLU 0.096 0.054 1 0 "[ ]" 1 29 LYS 0.060 0.060 1 0 "[ ]" 1 30 PHE 5.963 3.960 1 1 [+] 1 31 GLY 1.059 1.040 1 1 [+] 1 32 VAL 7.731 3.960 1 1 [+] 1 33 SER 1.610 0.963 1 1 [+] 1 34 ALA 1.676 0.963 1 1 [+] 1 35 ALA 1.465 0.713 1 1 [+] 1 36 ALA 1.736 0.994 1 1 [+] 1 37 ALA 0.994 0.994 1 1 [+] 2 1 SER 0.083 0.083 1 0 "[ ]" 2 2 ILE 0.068 0.068 1 0 "[ ]" 2 3 THR 0.177 0.093 1 0 "[ ]" 2 4 LYS 0.247 0.110 1 0 "[ ]" 2 5 ASP 0.396 0.110 1 0 "[ ]" 2 6 GLN 0.014 0.014 1 0 "[ ]" 2 7 ILE 0.014 0.014 1 0 "[ ]" 2 8 ILE 0.050 0.050 1 0 "[ ]" 2 9 GLU 0.045 0.045 1 0 "[ ]" 2 10 ALA 0.167 0.109 1 0 "[ ]" 2 11 VAL 0.294 0.127 1 0 "[ ]" 2 12 ALA 0.000 0.000 . 0 "[ ]" 2 13 ALA 0.020 0.020 1 0 "[ ]" 2 14 MET 0.152 0.053 1 0 "[ ]" 2 15 SER 0.143 0.085 1 0 "[ ]" 2 16 VAL 0.000 0.000 . 0 "[ ]" 2 17 MET 0.123 0.099 1 0 "[ ]" 2 18 ASP 0.099 0.099 1 0 "[ ]" 2 19 VAL 0.101 0.101 1 0 "[ ]" 2 20 VAL 0.063 0.063 1 0 "[ ]" 2 21 GLU 0.119 0.091 1 0 "[ ]" 2 22 LEU 0.230 0.104 1 0 "[ ]" 2 23 ILE 0.380 0.119 1 0 "[ ]" 2 24 SER 0.165 0.102 1 0 "[ ]" 2 25 ALA 0.152 0.102 1 0 "[ ]" 2 26 MET 0.410 0.130 1 0 "[ ]" 2 27 GLU 0.317 0.130 1 0 "[ ]" 2 28 GLU 0.071 0.066 1 0 "[ ]" 2 29 LYS 0.059 0.059 1 0 "[ ]" 2 30 PHE 0.194 0.124 1 0 "[ ]" 2 31 GLY 0.000 0.000 . 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 0.957 0.892 1 1 [+] 2 36 ALA 2.172 1.011 1 1 [+] 2 37 ALA 1.011 1.011 1 1 [+] stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 SER H1 1 1 SER HA . . 2.800 2.169 2.169 2.169 . 0 0 "[ ]" 1 2 1 1 SER H1 1 1 SER QB . . 3.710 3.312 3.312 3.312 . 0 0 "[ ]" 1 3 1 1 SER H1 1 2 ILE H . . 3.240 3.050 3.050 3.050 . 0 0 "[ ]" 1 4 1 1 SER HA 1 2 ILE H . . 2.620 2.492 2.492 2.492 . 0 0 "[ ]" 1 5 1 2 ILE H 1 2 ILE HB . . 2.740 2.584 2.584 2.584 . 0 0 "[ ]" 1 6 1 2 ILE H 1 2 ILE HG12 . . 3.330 3.396 3.396 3.396 0.066 1 0 "[ ]" 1 7 1 2 ILE H 1 2 ILE HG13 . . 3.330 2.231 2.231 2.231 . 0 0 "[ ]" 1 8 1 2 ILE H 1 2 ILE QG . . 3.040 2.202 2.202 2.202 . 0 0 "[ ]" 1 9 1 2 ILE H 1 2 ILE MD . . 5.660 3.713 3.713 3.713 . 0 0 "[ ]" 1 10 1 2 ILE H 1 3 THR H . . 3.390 3.433 3.433 3.433 0.043 1 0 "[ ]" 1 11 1 2 ILE HA 1 3 THR H . . 2.590 2.603 2.603 2.603 0.013 1 0 "[ ]" 1 12 1 2 ILE HB 1 3 THR H . . 4.630 4.473 4.473 4.473 . 0 0 "[ ]" 1 13 1 2 ILE MG 1 3 THR H . . 4.920 4.004 4.004 4.004 . 0 0 "[ ]" 1 14 1 3 THR H 1 3 THR HA . . 2.930 2.871 2.871 2.871 . 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 3.194 3.194 3.194 . 0 0 "[ ]" 1 17 1 3 THR H 1 6 GLN QG . . 4.450 2.658 2.658 2.658 . 0 0 "[ ]" 1 18 1 3 THR HA 1 4 LYS H . . 2.710 2.475 2.475 2.475 . 0 0 "[ ]" 1 19 1 3 THR HA 1 5 ASP H . . 4.320 4.360 4.360 4.360 0.040 1 0 "[ ]" 1 20 1 3 THR HB 1 4 LYS H . . 2.710 2.507 2.507 2.507 . 0 0 "[ ]" 1 21 1 3 THR HB 1 5 ASP H . . 2.930 2.827 2.827 2.827 . 0 0 "[ ]" 1 22 1 3 THR MG 1 4 LYS H . . 6.280 3.824 3.824 3.824 . 0 0 "[ ]" 1 23 1 3 THR MG 1 5 ASP H . . 6.530 4.460 4.460 4.460 . 0 0 "[ ]" 1 24 1 4 LYS H 1 4 LYS HB2 . . 2.930 2.118 2.118 2.118 . 0 0 "[ ]" 1 25 1 4 LYS H 1 4 LYS HB3 . . 3.420 3.406 3.406 3.406 . 0 0 "[ ]" 1 26 1 4 LYS H 1 5 ASP H . . 3.390 2.426 2.426 2.426 . 0 0 "[ ]" 1 27 1 4 LYS H 2 14 MET ME . . 6.160 4.629 4.629 4.629 . 0 0 "[ ]" 1 28 1 4 LYS HA 1 7 ILE H . . 4.010 3.273 3.273 3.273 . 0 0 "[ ]" 1 29 1 4 LYS HB2 1 5 ASP H . . 3.270 3.007 3.007 3.007 . 0 0 "[ ]" 1 30 1 4 LYS HB3 1 5 ASP H . . 3.300 3.420 3.420 3.420 0.120 1 0 "[ ]" 1 31 1 4 LYS HB3 2 22 LEU H . . 4.600 4.704 4.704 4.704 0.104 1 0 "[ ]" 1 32 1 4 LYS QG 1 5 ASP H . . 6.380 4.525 4.525 4.525 . 0 0 "[ ]" 1 33 1 4 LYS QD 1 5 ASP H . . 6.380 5.140 5.140 5.140 . 0 0 "[ ]" 1 34 1 4 LYS QD 2 22 LEU H . . 6.380 3.861 3.861 3.861 . 0 0 "[ ]" 1 35 1 5 ASP H 1 5 ASP HA . . 2.900 2.714 2.714 2.714 . 0 0 "[ ]" 1 36 1 5 ASP H 1 5 ASP HB2 . . 2.680 2.259 2.259 2.259 . 0 0 "[ ]" 1 37 1 5 ASP H 1 5 ASP HB3 . . 3.390 3.505 3.505 3.505 0.115 1 0 "[ ]" 1 38 1 5 ASP H 1 6 GLN H . . 2.740 2.766 2.766 2.766 0.026 1 0 "[ ]" 1 39 1 5 ASP HA 1 7 ILE H . . 4.010 4.061 4.061 4.061 0.051 1 0 "[ ]" 1 40 1 5 ASP HA 1 8 ILE H . . 3.980 3.206 3.206 3.206 . 0 0 "[ ]" 1 41 1 5 ASP HB2 1 6 GLN H . . 3.950 2.668 2.668 2.668 . 0 0 "[ ]" 1 42 1 5 ASP HB3 1 6 GLN H . . 4.450 3.378 3.378 3.378 . 0 0 "[ ]" 1 43 1 6 GLN H 1 6 GLN QG . . 3.960 2.747 2.747 2.747 . 0 0 "[ ]" 1 44 1 6 GLN H 1 7 ILE H . . 3.080 2.677 2.677 2.677 . 0 0 "[ ]" 1 45 1 6 GLN HA 1 7 ILE H . . 3.520 3.549 3.549 3.549 0.029 1 0 "[ ]" 1 46 1 6 GLN HA 1 9 GLU H . . 3.580 3.466 3.466 3.466 . 0 0 "[ ]" 1 47 1 6 GLN QB 1 8 ILE H . . 5.350 4.926 4.926 4.926 . 0 0 "[ ]" 1 48 1 6 GLN QG 1 7 ILE H . . 5.630 2.102 2.102 2.102 . 0 0 "[ ]" 1 49 1 7 ILE H 1 7 ILE HB . . 2.550 2.209 2.209 2.209 . 0 0 "[ ]" 1 50 1 7 ILE H 1 8 ILE H . . 3.480 2.447 2.447 2.447 . 0 0 "[ ]" 1 51 1 7 ILE HB 1 8 ILE H . . 3.170 3.142 3.142 3.142 . 0 0 "[ ]" 1 52 1 8 ILE H 1 8 ILE HB . . 2.620 2.437 2.437 2.437 . 0 0 "[ ]" 1 53 1 8 ILE H 1 8 ILE HG12 . . 3.140 2.030 2.030 2.030 . 0 0 "[ ]" 1 54 1 8 ILE H 1 8 ILE HG13 . . 4.040 3.483 3.483 3.483 . 0 0 "[ ]" 1 55 1 8 ILE H 1 9 GLU H . . 3.020 2.673 2.673 2.673 . 0 0 "[ ]" 1 56 1 8 ILE H 2 25 ALA MB . . 6.120 4.903 4.903 4.903 . 0 0 "[ ]" 1 57 1 8 ILE HA 1 11 VAL H . . 4.510 3.517 3.517 3.517 . 0 0 "[ ]" 1 58 1 8 ILE HA 2 30 PHE QE . . 7.620 4.128 4.128 4.128 . 0 0 "[ ]" 1 59 1 8 ILE HB 1 9 GLU H . . 2.740 2.487 2.487 2.487 . 0 0 "[ ]" 1 60 1 8 ILE MG 1 9 GLU H . . 5.010 3.374 3.374 3.374 . 0 0 "[ ]" 1 61 1 8 ILE MG 2 26 MET H . . 5.660 3.697 3.697 3.697 . 0 0 "[ ]" 1 62 1 8 ILE MG 2 30 PHE H . . 6.530 4.429 4.429 4.429 . 0 0 "[ ]" 1 63 1 8 ILE MG 2 30 PHE QD . . 8.650 4.027 4.027 4.027 . 0 0 "[ ]" 1 64 1 8 ILE MG 2 30 PHE QE . . 7.940 3.093 3.093 3.093 . 0 0 "[ ]" 1 65 1 8 ILE MG 2 30 PHE HZ . . 5.160 4.235 4.235 4.235 . 0 0 "[ ]" 1 66 1 8 ILE MD 1 9 GLU H . . 5.910 4.630 4.630 4.630 . 0 0 "[ ]" 1 67 1 8 ILE MD 2 25 ALA H . . 6.530 3.550 3.550 3.550 . 0 0 "[ ]" 1 68 1 8 ILE MD 2 26 MET H . . 5.190 2.422 2.422 2.422 . 0 0 "[ ]" 1 69 1 8 ILE MD 2 27 GLU H . . 6.530 4.821 4.821 4.821 . 0 0 "[ ]" 1 70 1 8 ILE MD 2 29 LYS H . . 6.530 5.058 5.058 5.058 . 0 0 "[ ]" 1 71 1 8 ILE MD 2 30 PHE QD . . 8.650 4.915 4.915 4.915 . 0 0 "[ ]" 1 72 1 8 ILE MD 2 30 PHE QE . . 8.650 4.131 4.131 4.131 . 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 2.415 2.415 2.415 . 0 0 "[ ]" 1 75 1 9 GLU H 1 9 GLU HG2 . . 5.470 2.154 2.154 2.154 . 0 0 "[ ]" 1 76 1 9 GLU H 1 9 GLU HG3 . . 5.470 3.280 3.280 3.280 . 0 0 "[ ]" 1 77 1 9 GLU H 1 9 GLU QG . . 5.120 2.127 2.127 2.127 . 0 0 "[ ]" 1 78 1 9 GLU H 1 10 ALA H . . 3.240 2.610 2.610 2.610 . 0 0 "[ ]" 1 79 1 9 GLU HA 1 10 ALA H . . 3.390 3.438 3.438 3.438 0.048 1 0 "[ ]" 1 80 1 9 GLU HA 1 12 ALA H . . 3.580 3.055 3.055 3.055 . 0 0 "[ ]" 1 81 1 9 GLU QB 1 10 ALA H . . 4.080 3.809 3.809 3.809 . 0 0 "[ ]" 1 82 1 9 GLU QB 1 11 VAL H . . 5.910 5.350 5.350 5.350 . 0 0 "[ ]" 1 83 1 10 ALA H 1 10 ALA MB . . 3.550 2.183 2.183 2.183 . 0 0 "[ ]" 1 84 1 10 ALA H 1 11 VAL H . . 2.930 2.504 2.504 2.504 . 0 0 "[ ]" 1 85 1 10 ALA H 1 11 VAL HB . . 4.320 4.425 4.425 4.425 0.105 1 0 "[ ]" 1 86 1 10 ALA H 1 11 VAL MG2 . . 5.810 4.372 4.372 4.372 . 0 0 "[ ]" 1 87 1 10 ALA HA 1 11 VAL H . . 3.580 3.609 3.609 3.609 0.029 1 0 "[ ]" 1 88 1 10 ALA HA 1 13 ALA H . . 4.170 3.505 3.505 3.505 . 0 0 "[ ]" 1 89 1 10 ALA MB 1 11 VAL H . . 3.950 2.554 2.554 2.554 . 0 0 "[ ]" 1 90 1 11 VAL H 1 11 VAL HB . . 2.710 2.182 2.182 2.182 . 0 0 "[ ]" 1 91 1 11 VAL H 1 11 VAL MG1 . . 4.480 3.625 3.625 3.625 . 0 0 "[ ]" 1 92 1 11 VAL H 1 11 VAL MG2 . . 4.020 2.551 2.551 2.551 . 0 0 "[ ]" 1 93 1 11 VAL H 1 12 ALA H . . 2.930 2.489 2.489 2.489 . 0 0 "[ ]" 1 94 1 11 VAL H 1 14 MET ME . . 6.530 5.412 5.412 5.412 . 0 0 "[ ]" 1 95 1 11 VAL H 2 22 LEU QD . . 8.100 5.276 5.276 5.276 . 0 0 "[ ]" 1 96 1 11 VAL H 2 26 MET HG2 . . 5.130 5.254 5.254 5.254 0.124 1 0 "[ ]" 1 97 1 11 VAL H 2 26 MET ME . . 6.530 3.855 3.855 3.855 . 0 0 "[ ]" 1 98 1 11 VAL HA 1 13 ALA H . . 4.170 3.471 3.471 3.471 . 0 0 "[ ]" 1 99 1 11 VAL HA 1 14 MET H . . 3.550 3.361 3.361 3.361 . 0 0 "[ ]" 1 100 1 11 VAL HB 1 12 ALA H . . 3.360 3.070 3.070 3.070 . 0 0 "[ ]" 1 101 1 11 VAL HB 2 30 PHE QE . . 7.620 3.097 3.097 3.097 . 0 0 "[ ]" 1 102 1 11 VAL MG1 1 12 ALA H . . 4.880 3.460 3.460 3.460 . 0 0 "[ ]" 1 103 1 11 VAL MG1 1 13 ALA H . . 6.530 4.435 4.435 4.435 . 0 0 "[ ]" 1 104 1 11 VAL MG1 2 30 PHE QD . . 8.650 4.141 4.141 4.141 . 0 0 "[ ]" 1 105 1 11 VAL MG1 2 30 PHE QE . . 8.530 2.659 2.659 2.659 . 0 0 "[ ]" 1 106 1 11 VAL MG1 2 30 PHE HZ . . 6.530 2.087 2.087 2.087 . 0 0 "[ ]" 1 107 1 11 VAL MG2 1 12 ALA H . . 6.190 4.191 4.191 4.191 . 0 0 "[ ]" 1 108 1 11 VAL MG2 2 30 PHE QE . . 8.650 4.173 4.173 4.173 . 0 0 "[ ]" 1 109 1 11 VAL MG2 2 30 PHE HZ . . 6.530 4.474 4.474 4.474 . 0 0 "[ ]" 1 110 1 12 ALA H 1 12 ALA MB . . 3.430 2.166 2.166 2.166 . 0 0 "[ ]" 1 111 1 12 ALA H 1 13 ALA H . . 3.170 2.507 2.507 2.507 . 0 0 "[ ]" 1 112 1 12 ALA H 2 26 MET ME . . 6.530 5.332 5.332 5.332 . 0 0 "[ ]" 1 113 1 12 ALA H 2 30 PHE HZ . . 5.500 2.909 2.909 2.909 . 0 0 "[ ]" 1 114 1 12 ALA HA 1 13 ALA H . . 3.640 3.232 3.232 3.232 . 0 0 "[ ]" 1 115 1 12 ALA HA 1 14 MET H . . 4.350 4.143 4.143 4.143 . 0 0 "[ ]" 1 116 1 12 ALA HA 2 30 PHE HZ . . 5.500 2.605 2.605 2.605 . 0 0 "[ ]" 1 117 1 12 ALA MB 2 30 PHE QE . . 8.650 2.233 2.233 2.233 . 0 0 "[ ]" 1 118 1 12 ALA MB 2 30 PHE HZ . . 6.250 2.176 2.176 2.176 . 0 0 "[ ]" 1 119 1 13 ALA H 1 13 ALA MB . . 3.490 2.210 2.210 2.210 . 0 0 "[ ]" 1 120 1 13 ALA H 1 14 MET H . . 2.800 1.936 1.936 1.936 . 0 0 "[ ]" 1 121 1 13 ALA H 1 14 MET HB2 . . 4.510 4.211 4.211 4.211 . 0 0 "[ ]" 1 122 1 13 ALA HA 1 14 MET H . . 3.520 3.548 3.548 3.548 0.028 1 0 "[ ]" 1 123 1 14 MET H 1 14 MET HB2 . . 2.710 2.476 2.476 2.476 . 0 0 "[ ]" 1 124 1 14 MET H 1 14 MET HB3 . . 3.580 3.610 3.610 3.610 0.030 1 0 "[ ]" 1 125 1 14 MET H 1 14 MET HG2 . . 4.660 3.899 3.899 3.899 . 0 0 "[ ]" 1 126 1 14 MET H 1 14 MET HG3 . . 3.610 2.498 2.498 2.498 . 0 0 "[ ]" 1 127 1 14 MET H 1 14 MET ME . . 6.530 4.466 4.466 4.466 . 0 0 "[ ]" 1 128 1 14 MET H 1 15 SER H . . 4.850 4.551 4.551 4.551 . 0 0 "[ ]" 1 129 1 14 MET H 1 19 VAL MG2 . . 6.190 4.007 4.007 4.007 . 0 0 "[ ]" 1 130 1 14 MET HA 1 15 SER H . . 2.550 2.562 2.562 2.562 0.012 1 0 "[ ]" 1 131 1 14 MET HB2 1 15 SER H . . 3.450 3.460 3.460 3.460 0.010 1 0 "[ ]" 1 132 1 14 MET HB3 1 15 SER H . . 2.990 2.359 2.359 2.359 . 0 0 "[ ]" 1 133 1 14 MET HG2 1 15 SER H . . 4.320 4.235 4.235 4.235 . 0 0 "[ ]" 1 134 1 14 MET ME 2 4 LYS H . . 6.160 4.298 4.298 4.298 . 0 0 "[ ]" 1 135 1 15 SER H 1 15 SER HB2 . . 3.330 3.419 3.419 3.419 0.089 1 0 "[ ]" 1 136 1 15 SER H 1 15 SER HB3 . . 3.110 3.124 3.124 3.124 0.014 1 0 "[ ]" 1 137 1 15 SER H 1 16 VAL H . . 4.880 4.633 4.633 4.633 . 0 0 "[ ]" 1 138 1 15 SER H 1 18 ASP HB2 . . 3.830 2.995 2.995 2.995 . 0 0 "[ ]" 1 139 1 15 SER H 1 18 ASP HB3 . . 3.170 2.911 2.911 2.911 . 0 0 "[ ]" 1 140 1 15 SER H 1 19 VAL MG2 . . 6.530 4.252 4.252 4.252 . 0 0 "[ ]" 1 141 1 15 SER HA 1 16 VAL H . . 2.550 2.434 2.434 2.434 . 0 0 "[ ]" 1 142 1 15 SER HB2 1 16 VAL H . . 3.110 2.741 2.741 2.741 . 0 0 "[ ]" 1 143 1 15 SER HB3 1 16 VAL H . . 3.420 3.481 3.481 3.481 0.061 1 0 "[ ]" 1 144 1 15 SER HB3 1 17 MET H . . 4.260 4.252 4.252 4.252 . 0 0 "[ ]" 1 145 1 16 VAL H 1 16 VAL HB . . 2.710 2.459 2.459 2.459 . 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 2.092 2.092 2.092 . 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 3.212 3.212 3.212 . 0 0 "[ ]" 1 150 1 16 VAL HB 1 17 MET H . . 2.930 2.629 2.629 2.629 . 0 0 "[ ]" 1 151 1 16 VAL MG1 1 17 MET H . . 4.980 3.477 3.477 3.477 . 0 0 "[ ]" 1 152 1 16 VAL MG2 1 17 MET H . . 6.530 3.870 3.870 3.870 . 0 0 "[ ]" 1 153 1 16 VAL MG2 1 18 ASP H . . 6.530 5.421 5.421 5.421 . 0 0 "[ ]" 1 154 1 16 VAL MG2 2 30 PHE QD . . 8.650 6.191 6.191 6.191 . 0 0 "[ ]" 1 155 1 16 VAL MG2 2 30 PHE QE . . 8.650 5.655 5.655 5.655 . 0 0 "[ ]" 1 156 1 17 MET H 1 17 MET HA . . 2.830 2.719 2.719 2.719 . 0 0 "[ ]" 1 157 1 17 MET H 1 17 MET HB2 . . 2.710 2.144 2.144 2.144 . 0 0 "[ ]" 1 158 1 17 MET H 1 17 MET HG2 . . 5.500 4.000 4.000 4.000 . 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 2.864 2.864 2.864 . 0 0 "[ ]" 1 161 1 17 MET HA 1 20 VAL H . . 3.830 3.177 3.177 3.177 . 0 0 "[ ]" 1 162 1 17 MET HB3 1 18 ASP H . . 3.110 3.190 3.190 3.190 0.080 1 0 "[ ]" 1 163 1 18 ASP H 1 18 ASP HB2 . . 3.240 2.374 2.374 2.374 . 0 0 "[ ]" 1 164 1 18 ASP H 1 18 ASP HB3 . . 2.930 2.539 2.539 2.539 . 0 0 "[ ]" 1 165 1 18 ASP H 1 19 VAL H . . 3.270 2.598 2.598 2.598 . 0 0 "[ ]" 1 166 1 18 ASP H 1 19 VAL MG2 . . 6.220 3.806 3.806 3.806 . 0 0 "[ ]" 1 167 1 18 ASP HA 1 21 GLU H . . 4.040 3.495 3.495 3.495 . 0 0 "[ ]" 1 168 1 18 ASP HB2 1 19 VAL H . . 4.290 3.953 3.953 3.953 . 0 0 "[ ]" 1 169 1 18 ASP HB3 1 19 VAL H . . 3.480 2.837 2.837 2.837 . 0 0 "[ ]" 1 170 1 19 VAL H 1 19 VAL HB . . 2.680 2.392 2.392 2.392 . 0 0 "[ ]" 1 171 1 19 VAL H 1 19 VAL MG2 . . 4.170 2.137 2.137 2.137 . 0 0 "[ ]" 1 172 1 19 VAL H 1 20 VAL H . . 3.300 2.411 2.411 2.411 . 0 0 "[ ]" 1 173 1 19 VAL H 1 20 VAL MG1 . . 6.530 5.557 5.557 5.557 . 0 0 "[ ]" 1 174 1 19 VAL H 1 20 VAL MG2 . . 6.340 4.079 4.079 4.079 . 0 0 "[ ]" 1 175 1 19 VAL HA 1 22 LEU H . . 3.580 3.272 3.272 3.272 . 0 0 "[ ]" 1 176 1 19 VAL HA 1 23 ILE H . . 3.980 3.949 3.949 3.949 . 0 0 "[ ]" 1 177 1 19 VAL HB 1 20 VAL H . . 2.990 2.794 2.794 2.794 . 0 0 "[ ]" 1 178 1 19 VAL MG2 1 20 VAL H . . 5.630 3.880 3.880 3.880 . 0 0 "[ ]" 1 179 1 19 VAL MG2 2 30 PHE QE . . 8.650 5.115 5.115 5.115 . 0 0 "[ ]" 1 180 1 19 VAL MG2 2 30 PHE HZ . . 5.910 4.871 4.871 4.871 . 0 0 "[ ]" 1 181 1 20 VAL H 1 20 VAL HB . . 2.740 2.223 2.223 2.223 . 0 0 "[ ]" 1 182 1 20 VAL H 1 20 VAL MG1 . . 4.570 3.650 3.650 3.650 . 0 0 "[ ]" 1 183 1 20 VAL H 1 20 VAL MG2 . . 3.990 2.368 2.368 2.368 . 0 0 "[ ]" 1 184 1 20 VAL H 1 21 GLU H . . 3.140 2.715 2.715 2.715 . 0 0 "[ ]" 1 185 1 20 VAL H 1 23 ILE HB . . 5.250 5.266 5.266 5.266 0.016 1 0 "[ ]" 1 186 1 20 VAL HA 1 23 ILE H . . 3.920 3.792 3.792 3.792 . 0 0 "[ ]" 1 187 1 20 VAL HB 1 21 GLU H . . 2.900 2.620 2.620 2.620 . 0 0 "[ ]" 1 188 1 20 VAL MG1 1 21 GLU H . . 5.320 3.056 3.056 3.056 . 0 0 "[ ]" 1 189 1 20 VAL MG2 1 21 GLU H . . 5.470 4.012 4.012 4.012 . 0 0 "[ ]" 1 190 1 21 GLU H 1 21 GLU HB2 . . 2.900 2.291 2.291 2.291 . 0 0 "[ ]" 1 191 1 21 GLU H 1 21 GLU HB3 . . 3.420 3.516 3.516 3.516 0.096 1 0 "[ ]" 1 192 1 21 GLU H 1 22 LEU H . . 2.860 2.831 2.831 2.831 . 0 0 "[ ]" 1 193 1 21 GLU H 1 22 LEU QD . . 7.940 5.580 5.580 5.580 . 0 0 "[ ]" 1 194 1 21 GLU HA 1 22 LEU H . . 3.580 3.622 3.622 3.622 0.042 1 0 "[ ]" 1 195 1 21 GLU HA 1 24 SER H . . 3.670 3.591 3.591 3.591 . 0 0 "[ ]" 1 196 1 21 GLU HB2 1 22 LEU H . . 3.300 2.659 2.659 2.659 . 0 0 "[ ]" 1 197 1 21 GLU HB3 1 22 LEU H . . 3.580 3.382 3.382 3.382 . 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 2.403 2.403 2.403 . 0 0 "[ ]" 1 200 1 22 LEU H 1 22 LEU HB3 . . 2.960 2.463 2.463 2.463 . 0 0 "[ ]" 1 201 1 22 LEU H 1 22 LEU HG . . 5.130 4.514 4.514 4.514 . 0 0 "[ ]" 1 202 1 22 LEU H 1 22 LEU MD1 . . 5.780 4.094 4.094 4.094 . 0 0 "[ ]" 1 203 1 22 LEU H 1 22 LEU MD2 . . 5.780 4.006 4.006 4.006 . 0 0 "[ ]" 1 204 1 22 LEU H 1 23 ILE H . . 3.080 3.041 3.041 3.041 . 0 0 "[ ]" 1 205 1 22 LEU H 2 4 LYS HB3 . . 4.600 4.677 4.677 4.677 0.077 1 0 "[ ]" 1 206 1 22 LEU H 2 4 LYS QD . . 6.380 3.060 3.060 3.060 . 0 0 "[ ]" 1 207 1 22 LEU HA 1 25 ALA H . . 4.070 3.308 3.308 3.308 . 0 0 "[ ]" 1 208 1 22 LEU HB2 1 23 ILE H . . 3.610 3.698 3.698 3.698 0.088 1 0 "[ ]" 1 209 1 22 LEU HG 1 23 ILE H . . 4.260 4.356 4.356 4.356 0.096 1 0 "[ ]" 1 210 1 22 LEU QD 1 23 ILE H . . 7.260 2.493 2.493 2.493 . 0 0 "[ ]" 1 211 1 22 LEU QD 1 25 ALA H . . 8.040 3.789 3.789 3.789 . 0 0 "[ ]" 1 212 1 22 LEU QD 2 11 VAL H . . 8.100 5.277 5.277 5.277 . 0 0 "[ ]" 1 213 1 23 ILE H 1 23 ILE HB . . 2.490 2.322 2.322 2.322 . 0 0 "[ ]" 1 214 1 23 ILE H 1 23 ILE MG . . 4.730 3.686 3.686 3.686 . 0 0 "[ ]" 1 215 1 23 ILE H 1 23 ILE HG12 . . 3.730 2.232 2.232 2.232 . 0 0 "[ ]" 1 216 1 23 ILE H 1 23 ILE MD . . 5.230 3.301 3.301 3.301 . 0 0 "[ ]" 1 217 1 23 ILE H 1 24 SER H . . 3.080 2.919 2.919 2.919 . 0 0 "[ ]" 1 218 1 23 ILE HA 1 26 MET H . . 3.920 3.561 3.561 3.561 . 0 0 "[ ]" 1 219 1 23 ILE HB 1 24 SER H . . 2.930 2.720 2.720 2.720 . 0 0 "[ ]" 1 220 1 23 ILE MG 1 24 SER H . . 4.920 3.138 3.138 3.138 . 0 0 "[ ]" 1 221 1 23 ILE MG 1 27 GLU H . . 6.500 3.868 3.868 3.868 . 0 0 "[ ]" 1 222 1 23 ILE HG13 1 24 SER H . . 5.310 5.108 5.108 5.108 . 0 0 "[ ]" 1 223 1 24 SER H 1 24 SER HB2 . . 3.450 2.197 2.197 2.197 . 0 0 "[ ]" 1 224 1 24 SER H 1 24 SER HB3 . . 3.450 3.478 3.478 3.478 0.028 1 0 "[ ]" 1 225 1 24 SER H 1 24 SER QB . . 3.030 2.175 2.175 2.175 . 0 0 "[ ]" 1 226 1 24 SER H 1 25 ALA H . . 2.960 2.738 2.738 2.738 . 0 0 "[ ]" 1 227 1 24 SER HA 1 25 ALA H . . 3.550 3.597 3.597 3.597 0.047 1 0 "[ ]" 1 228 1 24 SER HA 1 27 GLU H . . 3.760 3.527 3.527 3.527 . 0 0 "[ ]" 1 229 1 24 SER HB2 1 25 ALA H . . 3.360 2.870 2.870 2.870 . 0 0 "[ ]" 1 230 1 24 SER HB3 1 25 ALA H . . 3.360 3.438 3.438 3.438 0.078 1 0 "[ ]" 1 231 1 24 SER QB 1 25 ALA H . . 3.070 2.734 2.734 2.734 . 0 0 "[ ]" 1 232 1 25 ALA H 1 25 ALA HA . . 2.770 2.795 2.795 2.795 0.025 1 0 "[ ]" 1 233 1 25 ALA H 1 25 ALA MB . . 3.640 2.103 2.103 2.103 . 0 0 "[ ]" 1 234 1 25 ALA H 1 26 MET H . . 3.020 2.877 2.877 2.877 . 0 0 "[ ]" 1 235 1 25 ALA H 2 8 ILE MD . . 6.530 4.273 4.273 4.273 . 0 0 "[ ]" 1 236 1 25 ALA HA 1 28 GLU H . . 3.610 3.664 3.664 3.664 0.054 1 0 "[ ]" 1 237 1 25 ALA MB 1 26 MET H . . 3.950 2.126 2.126 2.126 . 0 0 "[ ]" 1 238 1 25 ALA MB 1 28 GLU H . . 6.530 4.633 4.633 4.633 . 0 0 "[ ]" 1 239 1 25 ALA MB 2 8 ILE H . . 6.120 5.088 5.088 5.088 . 0 0 "[ ]" 1 240 1 26 MET H 1 26 MET HB2 . . 3.240 2.401 2.401 2.401 . 0 0 "[ ]" 1 241 1 26 MET H 1 26 MET HG2 . . 3.520 3.443 3.443 3.443 . 0 0 "[ ]" 1 242 1 26 MET H 1 26 MET HG3 . . 3.170 2.113 2.113 2.113 . 0 0 "[ ]" 1 243 1 26 MET H 1 26 MET ME . . 6.530 4.480 4.480 4.480 . 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 4.095 4.095 4.095 . 0 0 "[ ]" 1 246 1 26 MET H 2 8 ILE MD . . 5.190 3.247 3.247 3.247 . 0 0 "[ ]" 1 247 1 26 MET HA 1 29 LYS H . . 3.550 3.116 3.116 3.116 . 0 0 "[ ]" 1 248 1 26 MET HA 1 30 PHE H . . 3.730 3.233 3.233 3.233 . 0 0 "[ ]" 1 249 1 26 MET HA 1 30 PHE QD . . 7.620 2.548 2.548 2.548 . 0 0 "[ ]" 1 250 1 26 MET HA 1 30 PHE QE . . 7.620 3.555 3.555 3.555 . 0 0 "[ ]" 1 251 1 26 MET HB2 1 27 GLU H . . 3.480 2.706 2.706 2.706 . 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 3.071 3.071 3.071 . 0 0 "[ ]" 1 254 1 26 MET HG2 1 30 PHE QE . . 7.620 2.249 2.249 2.249 . 0 0 "[ ]" 1 255 1 26 MET HG2 2 11 VAL H . . 5.130 5.257 5.257 5.257 0.127 1 0 "[ ]" 1 256 1 26 MET HG3 1 27 GLU H . . 4.350 4.473 4.473 4.473 0.123 1 0 "[ ]" 1 257 1 26 MET ME 1 30 PHE QD . . 8.650 3.112 3.112 3.112 . 0 0 "[ ]" 1 258 1 26 MET ME 1 30 PHE QE . . 8.650 2.544 2.544 2.544 . 0 0 "[ ]" 1 259 1 26 MET ME 1 30 PHE HZ . . 6.530 3.717 3.717 3.717 . 0 0 "[ ]" 1 260 1 26 MET ME 2 11 VAL H . . 6.530 4.601 4.601 4.601 . 0 0 "[ ]" 1 261 1 26 MET ME 2 12 ALA H . . 6.530 5.290 5.290 5.290 . 0 0 "[ ]" 1 262 1 27 GLU H 1 27 GLU HB2 . . 3.020 2.169 2.169 2.169 . 0 0 "[ ]" 1 263 1 27 GLU H 1 27 GLU HB3 . . 3.420 3.461 3.461 3.461 0.041 1 0 "[ ]" 1 264 1 27 GLU H 1 27 GLU HG2 . . 5.500 3.828 3.828 3.828 . 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 2.729 2.729 2.729 . 0 0 "[ ]" 1 267 1 27 GLU H 1 28 GLU H . . 3.240 2.894 2.894 2.894 . 0 0 "[ ]" 1 268 1 27 GLU H 2 8 ILE MD . . 6.530 5.310 5.310 5.310 . 0 0 "[ ]" 1 269 1 27 GLU HA 1 30 PHE H . . 4.510 4.394 4.394 4.394 . 0 0 "[ ]" 1 270 1 27 GLU HA 1 30 PHE QD . . 7.620 4.851 4.851 4.851 . 0 0 "[ ]" 1 271 1 27 GLU HB2 1 28 GLU H . . 3.390 2.925 2.925 2.925 . 0 0 "[ ]" 1 272 1 27 GLU HB3 1 28 GLU H . . 3.240 3.283 3.283 3.283 0.043 1 0 "[ ]" 1 273 1 27 GLU QG 1 28 GLU H . . 6.380 4.438 4.438 4.438 . 0 0 "[ ]" 1 274 1 28 GLU H 1 28 GLU HA . . 2.900 2.840 2.840 2.840 . 0 0 "[ ]" 1 275 1 28 GLU H 1 28 GLU HB2 . . 2.710 2.622 2.622 2.622 . 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 4.397 4.397 4.397 . 0 0 "[ ]" 1 278 1 28 GLU H 1 28 GLU HG3 . . 4.450 4.436 4.436 4.436 . 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 2.489 2.489 2.489 . 0 0 "[ ]" 1 281 1 28 GLU HA 1 29 LYS H . . 3.640 3.617 3.617 3.617 . 0 0 "[ ]" 1 282 1 28 GLU HA 1 31 GLY H . . 3.860 3.467 3.467 3.467 . 0 0 "[ ]" 1 283 1 28 GLU HB3 1 29 LYS H . . 2.860 2.590 2.590 2.590 . 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 2.765 2.765 2.765 . 0 0 "[ ]" 1 286 1 29 LYS H 1 29 LYS HB2 . . 2.930 2.511 2.511 2.511 . 0 0 "[ ]" 1 287 1 29 LYS H 1 29 LYS HB3 . . 2.830 2.410 2.410 2.410 . 0 0 "[ ]" 1 288 1 29 LYS H 1 29 LYS HG2 . . 5.500 4.562 4.562 4.562 . 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 2.979 2.979 2.979 . 0 0 "[ ]" 1 291 1 29 LYS H 2 8 ILE MD . . 6.530 4.460 4.460 4.460 . 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 3.784 3.784 3.784 . 0 0 "[ ]" 1 294 1 29 LYS HB2 1 30 PHE QD . . 7.620 4.475 4.475 4.475 . 0 0 "[ ]" 1 295 1 29 LYS HB2 1 30 PHE QE . . 7.620 5.155 5.155 5.155 . 0 0 "[ ]" 1 296 1 29 LYS HB3 1 30 PHE H . . 3.610 2.319 2.319 2.319 . 0 0 "[ ]" 1 297 1 29 LYS HB3 1 30 PHE QD . . 7.620 2.764 2.764 2.764 . 0 0 "[ ]" 1 298 1 29 LYS HB3 1 30 PHE QE . . 7.620 3.852 3.852 3.852 . 0 0 "[ ]" 1 299 1 29 LYS QG 1 30 PHE QD . . 8.500 3.415 3.415 3.415 . 0 0 "[ ]" 1 300 1 29 LYS QG 1 30 PHE QE . . 8.500 3.492 3.492 3.492 . 0 0 "[ ]" 1 301 1 29 LYS HE2 1 30 PHE QE . . 7.620 6.273 6.273 6.273 . 0 0 "[ ]" 1 302 1 30 PHE H 1 30 PHE HB2 . . 3.050 2.202 2.202 2.202 . 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 2.569 2.569 2.569 . 0 0 "[ ]" 1 305 1 30 PHE H 2 8 ILE MG . . 6.530 4.427 4.427 4.427 . 0 0 "[ ]" 1 306 1 30 PHE HA 1 31 GLY H . . 3.360 3.379 3.379 3.379 0.019 1 0 "[ ]" 1 307 1 30 PHE HB2 1 31 GLY H . . 3.860 3.368 3.368 3.368 . 0 0 "[ ]" 1 308 1 30 PHE HB3 1 31 GLY H . . 4.790 4.140 4.140 4.140 . 0 0 "[ ]" 1 309 1 30 PHE QD 1 32 VAL HB . . 7.620 9.438 9.438 9.438 1.818 1 1 [+] 1 310 1 30 PHE QD 2 8 ILE MG . . 8.650 3.490 3.490 3.490 . 0 0 "[ ]" 1 311 1 30 PHE QD 2 8 ILE MD . . 8.650 5.196 5.196 5.196 . 0 0 "[ ]" 1 312 1 30 PHE QD 2 11 VAL MG1 . . 8.650 3.905 3.905 3.905 . 0 0 "[ ]" 1 313 1 30 PHE QD 2 16 VAL MG2 . . 8.650 5.435 5.435 5.435 . 0 0 "[ ]" 1 314 1 30 PHE QE 1 32 VAL HB . . 7.620 11.580 11.580 11.580 3.960 1 1 [+] 1 315 1 30 PHE QE 2 8 ILE HA . . 7.620 3.203 3.203 3.203 . 0 0 "[ ]" 1 316 1 30 PHE QE 2 8 ILE MG . . 7.940 2.516 2.516 2.516 . 0 0 "[ ]" 1 317 1 30 PHE QE 2 8 ILE MD . . 8.650 4.886 4.886 4.886 . 0 0 "[ ]" 1 318 1 30 PHE QE 2 11 VAL HB . . 7.620 2.817 2.817 2.817 . 0 0 "[ ]" 1 319 1 30 PHE QE 2 11 VAL MG1 . . 8.530 2.767 2.767 2.767 . 0 0 "[ ]" 1 320 1 30 PHE QE 2 11 VAL MG2 . . 8.650 3.868 3.868 3.868 . 0 0 "[ ]" 1 321 1 30 PHE QE 2 12 ALA MB . . 8.650 2.791 2.791 2.791 . 0 0 "[ ]" 1 322 1 30 PHE QE 2 16 VAL MG2 . . 8.650 5.238 5.238 5.238 . 0 0 "[ ]" 1 323 1 30 PHE QE 2 19 VAL MG2 . . 8.650 4.661 4.661 4.661 . 0 0 "[ ]" 1 324 1 30 PHE HZ 2 8 ILE MG . . 5.160 4.030 4.030 4.030 . 0 0 "[ ]" 1 325 1 30 PHE HZ 2 11 VAL MG1 . . 6.530 2.204 2.204 2.204 . 0 0 "[ ]" 1 326 1 30 PHE HZ 2 11 VAL MG2 . . 6.530 4.120 4.120 4.120 . 0 0 "[ ]" 1 327 1 30 PHE HZ 2 12 ALA H . . 5.500 2.700 2.700 2.700 . 0 0 "[ ]" 1 328 1 30 PHE HZ 2 12 ALA HA . . 5.500 2.962 2.962 2.962 . 0 0 "[ ]" 1 329 1 30 PHE HZ 2 12 ALA MB . . 6.250 2.116 2.116 2.116 . 0 0 "[ ]" 1 330 1 30 PHE HZ 2 19 VAL MG2 . . 5.910 4.909 4.909 4.909 . 0 0 "[ ]" 1 331 1 31 GLY H 1 32 VAL H . . 3.050 4.090 4.090 4.090 1.040 1 1 [+] 1 332 1 31 GLY H 1 32 VAL QG . . 7.620 4.290 4.290 4.290 . 0 0 "[ ]" 1 333 1 32 VAL H 1 32 VAL HB . . 3.270 3.536 3.536 3.536 0.266 1 0 "[ ]" 1 334 1 32 VAL H 1 33 SER H . . 3.330 2.494 2.494 2.494 . 0 0 "[ ]" 1 335 1 32 VAL HA 1 33 SER H . . 2.830 3.477 3.477 3.477 0.647 1 1 [+] 1 336 1 32 VAL QG 1 33 SER H . . 6.820 2.363 2.363 2.363 . 0 0 "[ ]" 1 337 1 33 SER H 1 33 SER HA . . 2.900 2.826 2.826 2.826 . 0 0 "[ ]" 1 338 1 33 SER H 1 33 SER QB . . 3.830 2.400 2.400 2.400 . 0 0 "[ ]" 1 339 1 33 SER H 1 34 ALA H . . 4.690 2.500 2.500 2.500 . 0 0 "[ ]" 1 340 1 33 SER HA 1 34 ALA H . . 2.650 3.613 3.613 3.613 0.963 1 1 [+] 1 341 1 33 SER QB 1 34 ALA H . . 4.550 2.566 2.566 2.566 . 0 0 "[ ]" 1 342 1 34 ALA H 1 35 ALA H . . 3.360 2.315 2.315 2.315 . 0 0 "[ ]" 1 343 1 34 ALA HA 1 35 ALA H . . 2.830 3.543 3.543 3.543 0.713 1 1 [+] 1 344 1 35 ALA H 1 35 ALA HA . . 2.860 2.905 2.905 2.905 0.045 1 0 "[ ]" 1 345 1 35 ALA H 1 36 ALA H . . 3.890 2.227 2.227 2.227 . 0 0 "[ ]" 1 346 1 35 ALA HA 1 36 ALA H . . 2.740 3.447 3.447 3.447 0.707 1 1 [+] 1 347 1 35 ALA MB 1 36 ALA H . . 4.420 3.119 3.119 3.119 . 0 0 "[ ]" 1 348 1 36 ALA H 1 36 ALA HA . . 2.650 2.686 2.686 2.686 0.036 1 0 "[ ]" 1 349 1 36 ALA HA 1 37 ALA H . . 2.620 3.614 3.614 3.614 0.994 1 1 [+] 1 350 2 1 SER H1 2 1 SER HA . . 2.800 2.883 2.883 2.883 0.083 1 0 "[ ]" 1 351 2 1 SER H1 2 1 SER QB . . 3.710 2.738 2.738 2.738 . 0 0 "[ ]" 1 352 2 1 SER H1 2 2 ILE H . . 3.240 3.227 3.227 3.227 . 0 0 "[ ]" 1 353 2 1 SER HA 2 2 ILE H . . 2.620 2.456 2.456 2.456 . 0 0 "[ ]" 1 354 2 2 ILE H 2 2 ILE HB . . 2.740 2.715 2.715 2.715 . 0 0 "[ ]" 1 355 2 2 ILE H 2 2 ILE HG12 . . 3.330 3.398 3.398 3.398 0.068 1 0 "[ ]" 1 356 2 2 ILE H 2 2 ILE HG13 . . 3.330 2.502 2.502 2.502 . 0 0 "[ ]" 1 357 2 2 ILE H 2 2 ILE QG . . 3.040 2.441 2.441 2.441 . 0 0 "[ ]" 1 358 2 2 ILE H 2 2 ILE MD . . 5.660 4.011 4.011 4.011 . 0 0 "[ ]" 1 359 2 2 ILE H 2 3 THR H . . 3.390 3.359 3.359 3.359 . 0 0 "[ ]" 1 360 2 2 ILE HA 2 3 THR H . . 2.590 2.540 2.540 2.540 . 0 0 "[ ]" 1 361 2 2 ILE HB 2 3 THR H . . 4.630 4.491 4.491 4.491 . 0 0 "[ ]" 1 362 2 2 ILE MG 2 3 THR H . . 4.920 3.972 3.972 3.972 . 0 0 "[ ]" 1 363 2 3 THR H 2 3 THR HA . . 2.930 2.902 2.902 2.902 . 0 0 "[ ]" 1 364 2 3 THR H 2 3 THR MG . . 4.080 2.381 2.381 2.381 . 0 0 "[ ]" 1 365 2 3 THR H 2 6 GLN QB . . 4.760 2.185 2.185 2.185 . 0 0 "[ ]" 1 366 2 3 THR H 2 6 GLN QG . . 4.450 3.888 3.888 3.888 . 0 0 "[ ]" 1 367 2 3 THR HA 2 4 LYS H . . 2.710 2.394 2.394 2.394 . 0 0 "[ ]" 1 368 2 3 THR HA 2 5 ASP H . . 4.320 4.405 4.405 4.405 0.085 1 0 "[ ]" 1 369 2 3 THR HB 2 4 LYS H . . 2.710 2.679 2.679 2.679 . 0 0 "[ ]" 1 370 2 3 THR HB 2 5 ASP H . . 2.930 3.023 3.023 3.023 0.093 1 0 "[ ]" 1 371 2 3 THR MG 2 4 LYS H . . 6.280 3.895 3.895 3.895 . 0 0 "[ ]" 1 372 2 3 THR MG 2 5 ASP H . . 6.530 4.581 4.581 4.581 . 0 0 "[ ]" 1 373 2 4 LYS H 2 4 LYS HB2 . . 2.930 2.208 2.208 2.208 . 0 0 "[ ]" 1 374 2 4 LYS H 2 4 LYS HB3 . . 3.420 3.480 3.480 3.480 0.060 1 0 "[ ]" 1 375 2 4 LYS H 2 5 ASP H . . 3.390 2.795 2.795 2.795 . 0 0 "[ ]" 1 376 2 4 LYS HA 2 7 ILE H . . 4.010 3.579 3.579 3.579 . 0 0 "[ ]" 1 377 2 4 LYS HB2 2 5 ASP H . . 3.270 2.820 2.820 2.820 . 0 0 "[ ]" 1 378 2 4 LYS HB3 2 5 ASP H . . 3.300 3.410 3.410 3.410 0.110 1 0 "[ ]" 1 379 2 4 LYS QG 2 5 ASP H . . 6.380 4.383 4.383 4.383 . 0 0 "[ ]" 1 380 2 4 LYS QD 2 5 ASP H . . 6.380 5.173 5.173 5.173 . 0 0 "[ ]" 1 381 2 5 ASP H 2 5 ASP HA . . 2.900 2.753 2.753 2.753 . 0 0 "[ ]" 1 382 2 5 ASP H 2 5 ASP HB2 . . 2.680 2.247 2.247 2.247 . 0 0 "[ ]" 1 383 2 5 ASP H 2 5 ASP HB3 . . 3.390 3.498 3.498 3.498 0.108 1 0 "[ ]" 1 384 2 5 ASP H 2 6 GLN H . . 2.740 2.708 2.708 2.708 . 0 0 "[ ]" 1 385 2 5 ASP HA 2 7 ILE H . . 4.010 3.945 3.945 3.945 . 0 0 "[ ]" 1 386 2 5 ASP HA 2 8 ILE H . . 3.980 3.167 3.167 3.167 . 0 0 "[ ]" 1 387 2 5 ASP HB2 2 6 GLN H . . 3.950 2.518 2.518 2.518 . 0 0 "[ ]" 1 388 2 5 ASP HB3 2 6 GLN H . . 4.450 3.276 3.276 3.276 . 0 0 "[ ]" 1 389 2 6 GLN H 2 6 GLN QG . . 3.960 2.846 2.846 2.846 . 0 0 "[ ]" 1 390 2 6 GLN H 2 7 ILE H . . 3.080 2.755 2.755 2.755 . 0 0 "[ ]" 1 391 2 6 GLN HA 2 7 ILE H . . 3.520 3.534 3.534 3.534 0.014 1 0 "[ ]" 1 392 2 6 GLN HA 2 9 GLU H . . 3.580 3.556 3.556 3.556 . 0 0 "[ ]" 1 393 2 6 GLN QB 2 8 ILE H . . 5.350 4.773 4.773 4.773 . 0 0 "[ ]" 1 394 2 6 GLN QG 2 7 ILE H . . 5.630 4.552 4.552 4.552 . 0 0 "[ ]" 1 395 2 7 ILE H 2 7 ILE HB . . 2.550 2.240 2.240 2.240 . 0 0 "[ ]" 1 396 2 7 ILE H 2 8 ILE H . . 3.480 2.433 2.433 2.433 . 0 0 "[ ]" 1 397 2 7 ILE HB 2 8 ILE H . . 3.170 2.950 2.950 2.950 . 0 0 "[ ]" 1 398 2 8 ILE H 2 8 ILE HB . . 2.620 2.429 2.429 2.429 . 0 0 "[ ]" 1 399 2 8 ILE H 2 8 ILE HG12 . . 3.140 3.190 3.190 3.190 0.050 1 0 "[ ]" 1 400 2 8 ILE H 2 8 ILE HG13 . . 4.040 2.004 2.004 2.004 . 0 0 "[ ]" 1 401 2 8 ILE H 2 9 GLU H . . 3.020 2.802 2.802 2.802 . 0 0 "[ ]" 1 402 2 8 ILE HA 2 11 VAL H . . 4.510 3.513 3.513 3.513 . 0 0 "[ ]" 1 403 2 8 ILE HB 2 9 GLU H . . 2.740 2.511 2.511 2.511 . 0 0 "[ ]" 1 404 2 8 ILE MG 2 9 GLU H . . 5.010 3.301 3.301 3.301 . 0 0 "[ ]" 1 405 2 8 ILE MD 2 9 GLU H . . 5.910 4.482 4.482 4.482 . 0 0 "[ ]" 1 406 2 9 GLU H 2 9 GLU HA . . 2.900 2.799 2.799 2.799 . 0 0 "[ ]" 1 407 2 9 GLU H 2 9 GLU QB . . 3.680 2.414 2.414 2.414 . 0 0 "[ ]" 1 408 2 9 GLU H 2 9 GLU HG2 . . 5.470 2.834 2.834 2.834 . 0 0 "[ ]" 1 409 2 9 GLU H 2 9 GLU HG3 . . 5.470 2.465 2.465 2.465 . 0 0 "[ ]" 1 410 2 9 GLU H 2 9 GLU QG . . 5.120 2.322 2.322 2.322 . 0 0 "[ ]" 1 411 2 9 GLU H 2 10 ALA H . . 3.240 2.584 2.584 2.584 . 0 0 "[ ]" 1 412 2 9 GLU HA 2 10 ALA H . . 3.390 3.435 3.435 3.435 0.045 1 0 "[ ]" 1 413 2 9 GLU HA 2 12 ALA H . . 3.580 3.195 3.195 3.195 . 0 0 "[ ]" 1 414 2 9 GLU QB 2 10 ALA H . . 4.080 3.218 3.218 3.218 . 0 0 "[ ]" 1 415 2 9 GLU QB 2 11 VAL H . . 5.910 5.010 5.010 5.010 . 0 0 "[ ]" 1 416 2 10 ALA H 2 10 ALA MB . . 3.550 2.165 2.165 2.165 . 0 0 "[ ]" 1 417 2 10 ALA H 2 11 VAL H . . 2.930 2.424 2.424 2.424 . 0 0 "[ ]" 1 418 2 10 ALA H 2 11 VAL HB . . 4.320 4.429 4.429 4.429 0.109 1 0 "[ ]" 1 419 2 10 ALA H 2 11 VAL MG2 . . 5.810 4.078 4.078 4.078 . 0 0 "[ ]" 1 420 2 10 ALA HA 2 11 VAL H . . 3.580 3.593 3.593 3.593 0.013 1 0 "[ ]" 1 421 2 10 ALA HA 2 13 ALA H . . 4.170 3.596 3.596 3.596 . 0 0 "[ ]" 1 422 2 10 ALA MB 2 11 VAL H . . 3.950 2.660 2.660 2.660 . 0 0 "[ ]" 1 423 2 11 VAL H 2 11 VAL HB . . 2.710 2.254 2.254 2.254 . 0 0 "[ ]" 1 424 2 11 VAL H 2 11 VAL MG1 . . 4.480 3.666 3.666 3.666 . 0 0 "[ ]" 1 425 2 11 VAL H 2 11 VAL MG2 . . 4.020 2.357 2.357 2.357 . 0 0 "[ ]" 1 426 2 11 VAL H 2 12 ALA H . . 2.930 2.489 2.489 2.489 . 0 0 "[ ]" 1 427 2 11 VAL H 2 14 MET ME . . 6.530 5.279 5.279 5.279 . 0 0 "[ ]" 1 428 2 11 VAL HA 2 13 ALA H . . 4.170 3.444 3.444 3.444 . 0 0 "[ ]" 1 429 2 11 VAL HA 2 14 MET H . . 3.550 3.595 3.595 3.595 0.045 1 0 "[ ]" 1 430 2 11 VAL HB 2 12 ALA H . . 3.360 3.016 3.016 3.016 . 0 0 "[ ]" 1 431 2 11 VAL MG1 2 12 ALA H . . 4.880 3.607 3.607 3.607 . 0 0 "[ ]" 1 432 2 11 VAL MG1 2 13 ALA H . . 6.530 4.455 4.455 4.455 . 0 0 "[ ]" 1 433 2 11 VAL MG2 2 12 ALA H . . 6.190 4.102 4.102 4.102 . 0 0 "[ ]" 1 434 2 12 ALA H 2 12 ALA MB . . 3.430 2.232 2.232 2.232 . 0 0 "[ ]" 1 435 2 12 ALA H 2 13 ALA H . . 3.170 2.555 2.555 2.555 . 0 0 "[ ]" 1 436 2 12 ALA HA 2 13 ALA H . . 3.640 3.213 3.213 3.213 . 0 0 "[ ]" 1 437 2 12 ALA HA 2 14 MET H . . 4.350 3.958 3.958 3.958 . 0 0 "[ ]" 1 438 2 13 ALA H 2 13 ALA MB . . 3.490 2.299 2.299 2.299 . 0 0 "[ ]" 1 439 2 13 ALA H 2 14 MET H . . 2.800 2.050 2.050 2.050 . 0 0 "[ ]" 1 440 2 13 ALA H 2 14 MET HB2 . . 4.510 4.313 4.313 4.313 . 0 0 "[ ]" 1 441 2 13 ALA HA 2 14 MET H . . 3.520 3.540 3.540 3.540 0.020 1 0 "[ ]" 1 442 2 14 MET H 2 14 MET HB2 . . 2.710 2.482 2.482 2.482 . 0 0 "[ ]" 1 443 2 14 MET H 2 14 MET HB3 . . 3.580 3.633 3.633 3.633 0.053 1 0 "[ ]" 1 444 2 14 MET H 2 14 MET HG2 . . 4.660 4.047 4.047 4.047 . 0 0 "[ ]" 1 445 2 14 MET H 2 14 MET HG3 . . 3.610 2.704 2.704 2.704 . 0 0 "[ ]" 1 446 2 14 MET H 2 14 MET ME . . 6.530 4.105 4.105 4.105 . 0 0 "[ ]" 1 447 2 14 MET H 2 15 SER H . . 4.850 4.532 4.532 4.532 . 0 0 "[ ]" 1 448 2 14 MET H 2 19 VAL MG2 . . 6.190 3.860 3.860 3.860 . 0 0 "[ ]" 1 449 2 14 MET HA 2 15 SER H . . 2.550 2.571 2.571 2.571 0.021 1 0 "[ ]" 1 450 2 14 MET HB2 2 15 SER H . . 3.450 3.462 3.462 3.462 0.012 1 0 "[ ]" 1 451 2 14 MET HB3 2 15 SER H . . 2.990 2.335 2.335 2.335 . 0 0 "[ ]" 1 452 2 14 MET HG2 2 15 SER H . . 4.320 4.231 4.231 4.231 . 0 0 "[ ]" 1 453 2 15 SER H 2 15 SER HB2 . . 3.330 3.415 3.415 3.415 0.085 1 0 "[ ]" 1 454 2 15 SER H 2 15 SER HB3 . . 3.110 3.106 3.106 3.106 . 0 0 "[ ]" 1 455 2 15 SER H 2 16 VAL H . . 4.880 4.616 4.616 4.616 . 0 0 "[ ]" 1 456 2 15 SER H 2 18 ASP HB2 . . 3.830 2.641 2.641 2.641 . 0 0 "[ ]" 1 457 2 15 SER H 2 18 ASP HB3 . . 3.170 3.063 3.063 3.063 . 0 0 "[ ]" 1 458 2 15 SER H 2 19 VAL MG2 . . 6.530 4.254 4.254 4.254 . 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 2.486 2.486 2.486 . 0 0 "[ ]" 1 461 2 15 SER HB3 2 16 VAL H . . 3.420 3.344 3.344 3.344 . 0 0 "[ ]" 1 462 2 15 SER HB3 2 17 MET H . . 4.260 4.284 4.284 4.284 0.024 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 3.688 3.688 3.688 . 0 0 "[ ]" 1 465 2 16 VAL H 2 16 VAL MG2 . . 4.200 2.101 2.101 2.101 . 0 0 "[ ]" 1 466 2 16 VAL H 2 17 MET H . . 3.270 2.707 2.707 2.707 . 0 0 "[ ]" 1 467 2 16 VAL HA 2 19 VAL H . . 3.450 3.336 3.336 3.336 . 0 0 "[ ]" 1 468 2 16 VAL HB 2 17 MET H . . 2.930 2.629 2.629 2.629 . 0 0 "[ ]" 1 469 2 16 VAL MG1 2 17 MET H . . 4.980 3.328 3.328 3.328 . 0 0 "[ ]" 1 470 2 16 VAL MG2 2 17 MET H . . 6.530 3.933 3.933 3.933 . 0 0 "[ ]" 1 471 2 16 VAL MG2 2 18 ASP H . . 6.530 5.464 5.464 5.464 . 0 0 "[ ]" 1 472 2 17 MET H 2 17 MET HA . . 2.830 2.747 2.747 2.747 . 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 2.800 2.800 2.800 . 0 0 "[ ]" 1 475 2 17 MET H 2 17 MET HG3 . . 3.700 3.654 3.654 3.654 . 0 0 "[ ]" 1 476 2 17 MET H 2 18 ASP H . . 2.930 2.784 2.784 2.784 . 0 0 "[ ]" 1 477 2 17 MET HA 2 20 VAL H . . 3.830 3.168 3.168 3.168 . 0 0 "[ ]" 1 478 2 17 MET HB3 2 18 ASP H . . 3.110 3.209 3.209 3.209 0.099 1 0 "[ ]" 1 479 2 18 ASP H 2 18 ASP HB2 . . 3.240 2.081 2.081 2.081 . 0 0 "[ ]" 1 480 2 18 ASP H 2 18 ASP HB3 . . 2.930 2.928 2.928 2.928 . 0 0 "[ ]" 1 481 2 18 ASP H 2 19 VAL H . . 3.270 2.600 2.600 2.600 . 0 0 "[ ]" 1 482 2 18 ASP H 2 19 VAL MG2 . . 6.220 4.190 4.190 4.190 . 0 0 "[ ]" 1 483 2 18 ASP HA 2 21 GLU H . . 4.040 3.517 3.517 3.517 . 0 0 "[ ]" 1 484 2 18 ASP HB2 2 19 VAL H . . 4.290 3.647 3.647 3.647 . 0 0 "[ ]" 1 485 2 18 ASP HB3 2 19 VAL H . . 3.480 3.007 3.007 3.007 . 0 0 "[ ]" 1 486 2 19 VAL H 2 19 VAL HB . . 2.680 2.206 2.206 2.206 . 0 0 "[ ]" 1 487 2 19 VAL H 2 19 VAL MG2 . . 4.170 2.484 2.484 2.484 . 0 0 "[ ]" 1 488 2 19 VAL H 2 20 VAL H . . 3.300 2.447 2.447 2.447 . 0 0 "[ ]" 1 489 2 19 VAL H 2 20 VAL MG1 . . 6.530 5.550 5.550 5.550 . 0 0 "[ ]" 1 490 2 19 VAL H 2 20 VAL MG2 . . 6.340 4.138 4.138 4.138 . 0 0 "[ ]" 1 491 2 19 VAL HA 2 22 LEU H . . 3.580 3.001 3.001 3.001 . 0 0 "[ ]" 1 492 2 19 VAL HA 2 23 ILE H . . 3.980 4.081 4.081 4.081 0.101 1 0 "[ ]" 1 493 2 19 VAL HB 2 20 VAL H . . 2.990 2.767 2.767 2.767 . 0 0 "[ ]" 1 494 2 19 VAL MG2 2 20 VAL H . . 5.630 4.060 4.060 4.060 . 0 0 "[ ]" 1 495 2 20 VAL H 2 20 VAL HB . . 2.740 2.242 2.242 2.242 . 0 0 "[ ]" 1 496 2 20 VAL H 2 20 VAL MG1 . . 4.570 3.658 3.658 3.658 . 0 0 "[ ]" 1 497 2 20 VAL H 2 20 VAL MG2 . . 3.990 2.285 2.285 2.285 . 0 0 "[ ]" 1 498 2 20 VAL H 2 21 GLU H . . 3.140 2.785 2.785 2.785 . 0 0 "[ ]" 1 499 2 20 VAL H 2 23 ILE HB . . 5.250 5.313 5.313 5.313 0.063 1 0 "[ ]" 1 500 2 20 VAL HA 2 23 ILE H . . 3.920 3.739 3.739 3.739 . 0 0 "[ ]" 1 501 2 20 VAL HB 2 21 GLU H . . 2.900 2.772 2.772 2.772 . 0 0 "[ ]" 1 502 2 20 VAL MG1 2 21 GLU H . . 5.320 3.196 3.196 3.196 . 0 0 "[ ]" 1 503 2 20 VAL MG2 2 21 GLU H . . 5.470 4.083 4.083 4.083 . 0 0 "[ ]" 1 504 2 21 GLU H 2 21 GLU HB2 . . 2.900 2.272 2.272 2.272 . 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 2.680 2.680 2.680 . 0 0 "[ ]" 1 507 2 21 GLU H 2 22 LEU QD . . 7.940 5.454 5.454 5.454 . 0 0 "[ ]" 1 508 2 21 GLU HA 2 22 LEU H . . 3.580 3.608 3.608 3.608 0.028 1 0 "[ ]" 1 509 2 21 GLU HA 2 24 SER H . . 3.670 3.408 3.408 3.408 . 0 0 "[ ]" 1 510 2 21 GLU HB2 2 22 LEU H . . 3.300 2.738 2.738 2.738 . 0 0 "[ ]" 1 511 2 21 GLU HB3 2 22 LEU H . . 3.580 3.500 3.500 3.500 . 0 0 "[ ]" 1 512 2 22 LEU H 2 22 LEU HA . . 2.830 2.752 2.752 2.752 . 0 0 "[ ]" 1 513 2 22 LEU H 2 22 LEU HB2 . . 2.930 2.252 2.252 2.252 . 0 0 "[ ]" 1 514 2 22 LEU H 2 22 LEU HB3 . . 2.960 2.631 2.631 2.631 . 0 0 "[ ]" 1 515 2 22 LEU H 2 22 LEU HG . . 5.130 4.509 4.509 4.509 . 0 0 "[ ]" 1 516 2 22 LEU H 2 22 LEU MD1 . . 5.780 4.169 4.169 4.169 . 0 0 "[ ]" 1 517 2 22 LEU H 2 22 LEU MD2 . . 5.780 3.759 3.759 3.759 . 0 0 "[ ]" 1 518 2 22 LEU H 2 23 ILE H . . 3.080 3.030 3.030 3.030 . 0 0 "[ ]" 1 519 2 22 LEU HA 2 25 ALA H . . 4.070 3.375 3.375 3.375 . 0 0 "[ ]" 1 520 2 22 LEU HB2 2 23 ILE H . . 3.610 3.594 3.594 3.594 . 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 2.804 2.804 2.804 . 0 0 "[ ]" 1 523 2 22 LEU QD 2 25 ALA H . . 8.040 3.963 3.963 3.963 . 0 0 "[ ]" 1 524 2 23 ILE H 2 23 ILE HB . . 2.490 2.191 2.191 2.191 . 0 0 "[ ]" 1 525 2 23 ILE H 2 23 ILE MG . . 4.730 3.624 3.624 3.624 . 0 0 "[ ]" 1 526 2 23 ILE H 2 23 ILE HG12 . . 3.730 3.849 3.849 3.849 0.119 1 0 "[ ]" 1 527 2 23 ILE H 2 23 ILE MD . . 5.230 1.926 1.926 1.926 . 0 0 "[ ]" 1 528 2 23 ILE H 2 24 SER H . . 3.080 2.815 2.815 2.815 . 0 0 "[ ]" 1 529 2 23 ILE HA 2 26 MET H . . 3.920 3.726 3.726 3.726 . 0 0 "[ ]" 1 530 2 23 ILE HB 2 24 SER H . . 2.930 2.921 2.921 2.921 . 0 0 "[ ]" 1 531 2 23 ILE MG 2 24 SER H . . 4.920 3.076 3.076 3.076 . 0 0 "[ ]" 1 532 2 23 ILE MG 2 27 GLU H . . 6.500 4.187 4.187 4.187 . 0 0 "[ ]" 1 533 2 23 ILE HG13 2 24 SER H . . 5.310 5.133 5.133 5.133 . 0 0 "[ ]" 1 534 2 24 SER H 2 24 SER HB2 . . 3.450 2.182 2.182 2.182 . 0 0 "[ ]" 1 535 2 24 SER H 2 24 SER HB3 . . 3.450 3.469 3.469 3.469 0.019 1 0 "[ ]" 1 536 2 24 SER H 2 24 SER QB . . 3.030 2.160 2.160 2.160 . 0 0 "[ ]" 1 537 2 24 SER H 2 25 ALA H . . 2.960 2.645 2.645 2.645 . 0 0 "[ ]" 1 538 2 24 SER HA 2 25 ALA H . . 3.550 3.594 3.594 3.594 0.044 1 0 "[ ]" 1 539 2 24 SER HA 2 27 GLU H . . 3.760 3.486 3.486 3.486 . 0 0 "[ ]" 1 540 2 24 SER HB2 2 25 ALA H . . 3.360 2.878 2.878 2.878 . 0 0 "[ ]" 1 541 2 24 SER HB3 2 25 ALA H . . 3.360 3.462 3.462 3.462 0.102 1 0 "[ ]" 1 542 2 24 SER QB 2 25 ALA H . . 3.070 2.744 2.744 2.744 . 0 0 "[ ]" 1 543 2 25 ALA H 2 25 ALA HA . . 2.770 2.758 2.758 2.758 . 0 0 "[ ]" 1 544 2 25 ALA H 2 25 ALA MB . . 3.640 2.013 2.013 2.013 . 0 0 "[ ]" 1 545 2 25 ALA H 2 26 MET H . . 3.020 2.863 2.863 2.863 . 0 0 "[ ]" 1 546 2 25 ALA HA 2 28 GLU H . . 3.610 3.616 3.616 3.616 0.006 1 0 "[ ]" 1 547 2 25 ALA MB 2 26 MET H . . 3.950 2.524 2.524 2.524 . 0 0 "[ ]" 1 548 2 25 ALA MB 2 28 GLU H . . 6.530 4.666 4.666 4.666 . 0 0 "[ ]" 1 549 2 26 MET H 2 26 MET HB2 . . 3.240 2.332 2.332 2.332 . 0 0 "[ ]" 1 550 2 26 MET H 2 26 MET HG2 . . 3.520 3.272 3.272 3.272 . 0 0 "[ ]" 1 551 2 26 MET H 2 26 MET HG3 . . 3.170 2.310 2.310 2.310 . 0 0 "[ ]" 1 552 2 26 MET H 2 26 MET ME . . 6.530 4.052 4.052 4.052 . 0 0 "[ ]" 1 553 2 26 MET H 2 27 GLU H . . 2.860 2.891 2.891 2.891 0.031 1 0 "[ ]" 1 554 2 26 MET HA 2 29 LYS H . . 3.550 3.253 3.253 3.253 . 0 0 "[ ]" 1 555 2 26 MET HA 2 30 PHE H . . 3.730 3.215 3.215 3.215 . 0 0 "[ ]" 1 556 2 26 MET HA 2 30 PHE QD . . 7.620 2.653 2.653 2.653 . 0 0 "[ ]" 1 557 2 26 MET HA 2 30 PHE QE . . 7.620 3.272 3.272 3.272 . 0 0 "[ ]" 1 558 2 26 MET HB2 2 27 GLU H . . 3.480 2.518 2.518 2.518 . 0 0 "[ ]" 1 559 2 26 MET HG2 2 30 PHE H . . 4.850 4.974 4.974 4.974 0.124 1 0 "[ ]" 1 560 2 26 MET HG2 2 30 PHE QD . . 7.620 3.348 3.348 3.348 . 0 0 "[ ]" 1 561 2 26 MET HG2 2 30 PHE QE . . 7.620 2.174 2.174 2.174 . 0 0 "[ ]" 1 562 2 26 MET HG3 2 27 GLU H . . 4.350 4.480 4.480 4.480 0.130 1 0 "[ ]" 1 563 2 26 MET ME 2 30 PHE QD . . 8.650 5.202 5.202 5.202 . 0 0 "[ ]" 1 564 2 26 MET ME 2 30 PHE QE . . 8.650 3.835 3.835 3.835 . 0 0 "[ ]" 1 565 2 26 MET ME 2 30 PHE HZ . . 6.530 5.074 5.074 5.074 . 0 0 "[ ]" 1 566 2 27 GLU H 2 27 GLU HB2 . . 3.020 2.266 2.266 2.266 . 0 0 "[ ]" 1 567 2 27 GLU H 2 27 GLU HB3 . . 3.420 3.511 3.511 3.511 0.091 1 0 "[ ]" 1 568 2 27 GLU H 2 27 GLU HG2 . . 5.500 3.623 3.623 3.623 . 0 0 "[ ]" 1 569 2 27 GLU H 2 27 GLU HG3 . . 5.500 2.562 2.562 2.562 . 0 0 "[ ]" 1 570 2 27 GLU H 2 27 GLU QG . . 4.760 2.512 2.512 2.512 . 0 0 "[ ]" 1 571 2 27 GLU H 2 28 GLU H . . 3.240 2.948 2.948 2.948 . 0 0 "[ ]" 1 572 2 27 GLU HA 2 30 PHE H . . 4.510 4.413 4.413 4.413 . 0 0 "[ ]" 1 573 2 27 GLU HA 2 30 PHE QD . . 7.620 4.349 4.349 4.349 . 0 0 "[ ]" 1 574 2 27 GLU HB2 2 28 GLU H . . 3.390 2.751 2.751 2.751 . 0 0 "[ ]" 1 575 2 27 GLU HB3 2 28 GLU H . . 3.240 3.306 3.306 3.306 0.066 1 0 "[ ]" 1 576 2 27 GLU QG 2 28 GLU H . . 6.380 4.346 4.346 4.346 . 0 0 "[ ]" 1 577 2 28 GLU H 2 28 GLU HA . . 2.900 2.832 2.832 2.832 . 0 0 "[ ]" 1 578 2 28 GLU H 2 28 GLU HB2 . . 2.710 2.401 2.401 2.401 . 0 0 "[ ]" 1 579 2 28 GLU H 2 28 GLU HB3 . . 2.800 2.622 2.622 2.622 . 0 0 "[ ]" 1 580 2 28 GLU H 2 28 GLU HG2 . . 4.450 4.445 4.445 4.445 . 0 0 "[ ]" 1 581 2 28 GLU H 2 28 GLU HG3 . . 4.450 4.378 4.378 4.378 . 0 0 "[ ]" 1 582 2 28 GLU H 2 28 GLU QG . . 4.240 3.929 3.929 3.929 . 0 0 "[ ]" 1 583 2 28 GLU H 2 29 LYS H . . 2.960 2.529 2.529 2.529 . 0 0 "[ ]" 1 584 2 28 GLU HA 2 29 LYS H . . 3.640 3.620 3.620 3.620 . 0 0 "[ ]" 1 585 2 28 GLU HA 2 31 GLY H . . 3.860 3.311 3.311 3.311 . 0 0 "[ ]" 1 586 2 28 GLU HB3 2 29 LYS H . . 2.860 2.542 2.542 2.542 . 0 0 "[ ]" 1 587 2 28 GLU QG 2 29 LYS H . . 6.380 3.935 3.935 3.935 . 0 0 "[ ]" 1 588 2 29 LYS H 2 29 LYS HA . . 2.930 2.739 2.739 2.739 . 0 0 "[ ]" 1 589 2 29 LYS H 2 29 LYS HB2 . . 2.930 2.497 2.497 2.497 . 0 0 "[ ]" 1 590 2 29 LYS H 2 29 LYS HB3 . . 2.830 2.424 2.424 2.424 . 0 0 "[ ]" 1 591 2 29 LYS H 2 29 LYS HG2 . . 5.500 4.562 4.562 4.562 . 0 0 "[ ]" 1 592 2 29 LYS H 2 29 LYS HG3 . . 5.500 4.358 4.358 4.358 . 0 0 "[ ]" 1 593 2 29 LYS H 2 30 PHE H . . 3.210 3.076 3.076 3.076 . 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 4.875 4.875 4.875 . 0 0 "[ ]" 1 597 2 29 LYS HB2 2 30 PHE QE . . 7.620 5.399 5.399 5.399 . 0 0 "[ ]" 1 598 2 29 LYS HB3 2 30 PHE H . . 3.610 2.282 2.282 2.282 . 0 0 "[ ]" 1 599 2 29 LYS HB3 2 30 PHE QD . . 7.620 3.202 3.202 3.202 . 0 0 "[ ]" 1 600 2 29 LYS HB3 2 30 PHE QE . . 7.620 4.045 4.045 4.045 . 0 0 "[ ]" 1 601 2 29 LYS QG 2 30 PHE QD . . 8.500 3.683 3.683 3.683 . 0 0 "[ ]" 1 602 2 29 LYS QG 2 30 PHE QE . . 8.500 3.766 3.766 3.766 . 0 0 "[ ]" 1 603 2 29 LYS HE2 2 30 PHE QE . . 7.620 5.361 5.361 5.361 . 0 0 "[ ]" 1 604 2 30 PHE H 2 30 PHE HB2 . . 3.050 2.283 2.283 2.283 . 0 0 "[ ]" 1 605 2 30 PHE H 2 30 PHE HB3 . . 3.450 3.461 3.461 3.461 0.011 1 0 "[ ]" 1 606 2 30 PHE H 2 31 GLY H . . 2.860 2.644 2.644 2.644 . 0 0 "[ ]" 1 607 2 30 PHE HA 2 31 GLY H . . 3.360 3.357 3.357 3.357 . 0 0 "[ ]" 1 608 2 30 PHE HB2 2 31 GLY H . . 3.860 3.415 3.415 3.415 . 0 0 "[ ]" 1 609 2 30 PHE HB3 2 31 GLY H . . 4.790 4.227 4.227 4.227 . 0 0 "[ ]" 1 610 2 30 PHE QD 2 32 VAL HB . . 7.620 4.880 4.880 4.880 . 0 0 "[ ]" 1 611 2 30 PHE QE 2 32 VAL HB . . 7.620 6.795 6.795 6.795 . 0 0 "[ ]" 1 612 2 31 GLY H 2 32 VAL H . . 3.050 3.001 3.001 3.001 . 0 0 "[ ]" 1 613 2 31 GLY H 2 32 VAL QG . . 7.620 3.998 3.998 3.998 . 0 0 "[ ]" 1 614 2 32 VAL H 2 32 VAL HB . . 3.270 2.794 2.794 2.794 . 0 0 "[ ]" 1 615 2 32 VAL H 2 33 SER H . . 3.330 3.135 3.135 3.135 . 0 0 "[ ]" 1 616 2 32 VAL HA 2 33 SER H . . 2.830 2.796 2.796 2.796 . 0 0 "[ ]" 1 617 2 32 VAL QG 2 33 SER H . . 6.820 3.545 3.545 3.545 . 0 0 "[ ]" 1 618 2 33 SER H 2 33 SER HA . . 2.900 2.882 2.882 2.882 . 0 0 "[ ]" 1 619 2 33 SER H 2 33 SER QB . . 3.830 2.807 2.807 2.807 . 0 0 "[ ]" 1 620 2 33 SER H 2 34 ALA H . . 4.690 2.990 2.990 2.990 . 0 0 "[ ]" 1 621 2 33 SER HA 2 34 ALA H . . 2.650 2.562 2.562 2.562 . 0 0 "[ ]" 1 622 2 33 SER QB 2 34 ALA H . . 4.550 3.969 3.969 3.969 . 0 0 "[ ]" 1 623 2 34 ALA H 2 35 ALA H . . 3.360 2.922 2.922 2.922 . 0 0 "[ ]" 1 624 2 34 ALA HA 2 35 ALA H . . 2.830 2.378 2.378 2.378 . 0 0 "[ ]" 1 625 2 35 ALA H 2 35 ALA HA . . 2.860 2.925 2.925 2.925 0.065 1 0 "[ ]" 1 626 2 35 ALA H 2 36 ALA H . . 3.890 2.492 2.492 2.492 . 0 0 "[ ]" 1 627 2 35 ALA HA 2 36 ALA H . . 2.740 3.632 3.632 3.632 0.892 1 1 [+] 1 628 2 35 ALA MB 2 36 ALA H . . 4.420 1.911 1.911 1.911 . 0 0 "[ ]" 1 629 2 36 ALA H 2 36 ALA HA . . 2.650 2.919 2.919 2.919 0.269 1 0 "[ ]" 1 630 2 36 ALA HA 2 37 ALA H . . 2.620 3.631 3.631 3.631 1.011 1 1 [+] 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 10 _Distance_constraint_stats_list.Viol_count 2 _Distance_constraint_stats_list.Viol_total 1.184 _Distance_constraint_stats_list.Viol_max 0.814 _Distance_constraint_stats_list.Viol_rms 0.2781 _Distance_constraint_stats_list.Viol_average_all_restraints 0.1184 _Distance_constraint_stats_list.Viol_average_violations_only 0.5918 _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 7 ILE 1.184 0.814 1 1 [+] 1 8 ILE 0.000 0.000 . 0 "[ ]" 1 10 ALA 0.814 0.814 1 1 [+] 1 11 VAL 0.370 0.370 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 7 ILE H 1 7 ILE MG . . 4.700 3.631 3.631 3.631 . 0 0 "[ ]" 2 2 1 7 ILE H 1 7 ILE QG . . 4.390 2.570 2.570 2.570 . 0 0 "[ ]" 2 3 1 7 ILE H 1 7 ILE MD . . 4.450 3.421 3.421 3.421 . 0 0 "[ ]" 2 4 1 7 ILE MG 1 8 ILE H . . 5.720 3.536 3.536 3.536 . 0 0 "[ ]" 2 5 1 7 ILE MG 1 10 ALA H . . 6.000 4.291 4.291 4.291 . 0 0 "[ ]" 2 6 1 7 ILE MD 1 8 ILE H . . 6.530 4.853 4.853 4.853 . 0 0 "[ ]" 2 7 1 7 ILE MD 1 10 ALA H . . 5.540 6.354 6.354 6.354 0.814 1 1 [+] 2 8 1 7 ILE MD 1 11 VAL H . . 6.530 6.900 6.900 6.900 0.370 1 0 "[ ]" 2 9 1 7 ILE HA 1 10 ALA H . . 4.450 3.302 3.302 3.302 . 0 0 "[ ]" 2 10 1 7 ILE HA 1 11 VAL H . . 4.760 4.506 4.506 4.506 . 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 668 _Distance_constraint_stats_list.Viol_count 42 _Distance_constraint_stats_list.Viol_total 6.695 _Distance_constraint_stats_list.Viol_max 1.014 _Distance_constraint_stats_list.Viol_rms 0.0765 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0100 _Distance_constraint_stats_list.Viol_average_violations_only 0.1594 _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 1.225 1.014 1 1 [+] 1 48 ALA 2.013 1.014 1 1 [+] 1 49 GLU 2.374 0.999 1 1 [+] 1 50 GLU 2.346 0.934 1 1 [+] 1 51 LYS 1.051 0.775 1 1 [+] 1 52 THR 0.288 0.178 1 0 "[ ]" 1 53 GLU 0.207 0.110 1 0 "[ ]" 1 54 PHE 0.006 0.006 1 0 "[ ]" 1 55 ASP 0.006 0.006 1 0 "[ ]" 1 56 VAL 0.000 0.000 . 0 "[ ]" 1 57 ILE 0.000 0.000 . 0 "[ ]" 1 58 LEU 0.023 0.023 1 0 "[ ]" 1 59 LYS 0.220 0.123 1 0 "[ ]" 1 60 ALA 0.066 0.066 1 0 "[ ]" 1 61 ALA 0.099 0.068 1 0 "[ ]" 1 62 GLY 0.005 0.005 1 0 "[ ]" 1 63 ALA 0.074 0.074 1 0 "[ ]" 1 64 ASN 0.104 0.074 1 0 "[ ]" 1 65 LYS 0.210 0.106 1 0 "[ ]" 1 66 VAL 0.106 0.106 1 0 "[ ]" 1 67 ALA 0.000 0.000 . 0 "[ ]" 1 68 VAL 0.037 0.037 1 0 "[ ]" 1 69 ILE 0.046 0.037 1 0 "[ ]" 1 70 LYS 0.009 0.009 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 0.013 0.013 1 0 "[ ]" 1 77 GLY 0.013 0.013 1 0 "[ ]" 1 78 LEU 0.085 0.085 1 0 "[ ]" 1 79 GLY 0.066 0.066 1 0 "[ ]" 1 80 LEU 0.160 0.094 1 0 "[ ]" 1 81 LYS 0.094 0.094 1 0 "[ ]" 1 82 GLU 0.169 0.085 1 0 "[ ]" 1 83 ALA 0.000 0.000 . 0 "[ ]" 1 84 LYS 0.000 0.000 . 0 "[ ]" 1 85 ASP 0.084 0.084 1 0 "[ ]" 1 86 LEU 0.000 0.000 . 0 "[ ]" 1 87 VAL 0.000 0.000 . 0 "[ ]" 1 88 GLU 0.042 0.042 1 0 "[ ]" 1 89 SER 0.042 0.042 1 0 "[ ]" 1 90 ALA 0.001 0.001 1 0 "[ ]" 1 91 PRO 0.000 0.000 . 0 "[ ]" 1 92 ALA 0.123 0.123 1 0 "[ ]" 1 93 ALA 0.000 0.000 . 0 "[ ]" 1 94 LEU 0.000 0.000 . 0 "[ ]" 1 95 LYS 0.110 0.110 1 0 "[ ]" 1 96 GLU 0.203 0.110 1 0 "[ ]" 1 97 GLY 0.033 0.033 1 0 "[ ]" 1 98 VAL 0.000 0.000 . 0 "[ ]" 1 99 SER 0.042 0.042 1 0 "[ ]" 1 100 LYS 0.000 0.000 . 0 "[ ]" 1 101 ASP 0.040 0.040 1 0 "[ ]" 1 102 ASP 0.042 0.042 1 0 "[ ]" 1 103 ALA 0.000 0.000 . 0 "[ ]" 1 104 GLU 0.000 0.000 . 0 "[ ]" 1 105 ALA 0.118 0.118 1 0 "[ ]" 1 106 LEU 0.000 0.000 . 0 "[ ]" 1 107 LYS 0.000 0.000 . 0 "[ ]" 1 108 LYS 0.118 0.118 1 0 "[ ]" 1 109 ALA 0.000 0.000 . 0 "[ ]" 1 110 LEU 0.140 0.121 1 0 "[ ]" 1 111 GLU 0.000 0.000 . 0 "[ ]" 1 112 GLU 0.000 0.000 . 0 "[ ]" 1 113 ALA 0.034 0.034 1 0 "[ ]" 1 114 GLY 0.000 0.000 . 0 "[ ]" 1 115 ALA 0.034 0.034 1 0 "[ ]" 1 116 GLU 0.092 0.068 1 0 "[ ]" 1 117 VAL 0.024 0.024 1 0 "[ ]" 1 118 GLU 0.054 0.054 1 0 "[ ]" 1 119 VAL 0.100 0.054 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 2.811 2.811 2.811 0.211 1 0 "[ ]" 3 2 1 47 ALA HA 1 48 ALA H . . 2.570 3.584 3.584 3.584 1.014 1 1 [+] 3 3 1 47 ALA MB 1 49 GLU H . . 5.570 4.451 4.451 4.451 . 0 0 "[ ]" 3 4 1 48 ALA H 1 48 ALA HA . . 2.910 2.763 2.763 2.763 . 0 0 "[ ]" 3 5 1 48 ALA HA 1 49 GLU H . . 2.570 3.569 3.569 3.569 0.999 1 1 [+] 3 6 1 49 GLU H 1 49 GLU HB2 . . 3.050 2.312 2.312 2.312 . 0 0 "[ ]" 3 7 1 49 GLU H 1 49 GLU HB3 . . 3.640 3.528 3.528 3.528 . 0 0 "[ ]" 3 8 1 49 GLU HA 1 50 GLU H . . 2.570 3.504 3.504 3.504 0.934 1 1 [+] 3 9 1 49 GLU HB3 1 50 GLU H . . 3.510 3.951 3.951 3.951 0.441 1 0 "[ ]" 3 10 1 50 GLU H 1 50 GLU HB2 . . 2.870 2.267 2.267 2.267 . 0 0 "[ ]" 3 11 1 50 GLU H 1 50 GLU HB3 . . 3.330 3.526 3.526 3.526 0.196 1 0 "[ ]" 3 12 1 50 GLU HA 1 51 LYS H . . 2.570 3.345 3.345 3.345 0.775 1 1 [+] 3 13 1 50 GLU HB2 1 51 LYS H . . 4.690 3.607 3.607 3.607 . 0 0 "[ ]" 3 14 1 50 GLU HB3 1 51 LYS H . . 4.320 4.183 4.183 4.183 . 0 0 "[ ]" 3 15 1 50 GLU QG 1 51 LYS H . . 8.100 4.513 4.513 4.513 . 0 0 "[ ]" 3 16 1 51 LYS H 1 51 LYS HG2 . . 5.740 4.552 4.552 4.552 . 0 0 "[ ]" 3 17 1 51 LYS H 1 51 LYS HG3 . . 5.740 3.867 3.867 3.867 . 0 0 "[ ]" 3 18 1 51 LYS HA 1 52 THR H . . 2.570 2.748 2.748 2.748 0.178 1 0 "[ ]" 3 19 1 51 LYS HA 1 53 GLU H . . 3.360 3.457 3.457 3.457 0.097 1 0 "[ ]" 3 20 1 51 LYS QB 1 52 THR H . . 5.050 3.992 3.992 3.992 . 0 0 "[ ]" 3 21 1 51 LYS QB 1 54 PHE QD . . 8.500 5.706 5.706 5.706 . 0 0 "[ ]" 3 22 1 51 LYS QB 1 54 PHE QE . . 8.500 4.030 4.030 4.030 . 0 0 "[ ]" 3 23 1 51 LYS QB 1 54 PHE HZ . . 6.380 5.021 5.021 5.021 . 0 0 "[ ]" 3 24 1 51 LYS QG 1 52 THR H . . 7.620 4.775 4.775 4.775 . 0 0 "[ ]" 3 25 1 51 LYS QG 1 53 GLU H . . 6.480 4.980 4.980 4.980 . 0 0 "[ ]" 3 26 1 51 LYS QG 1 54 PHE QE . . 8.500 5.138 5.138 5.138 . 0 0 "[ ]" 3 27 1 51 LYS QG 1 54 PHE HZ . . 6.380 5.795 5.795 5.795 . 0 0 "[ ]" 3 28 1 52 THR H 1 52 THR HG1 . . 2.800 2.618 2.618 2.618 . 0 0 "[ ]" 3 29 1 52 THR H 1 53 GLU H . . 2.570 2.680 2.680 2.680 0.110 1 0 "[ ]" 3 30 1 52 THR HA 1 53 GLU H . . 3.400 2.837 2.837 2.837 . 0 0 "[ ]" 3 31 1 52 THR HA 1 54 PHE QD . . 7.620 2.892 2.892 2.892 . 0 0 "[ ]" 3 32 1 52 THR HA 1 54 PHE QE . . 7.620 2.994 2.994 2.994 . 0 0 "[ ]" 3 33 1 52 THR HA 1 54 PHE HZ . . 5.500 5.446 5.446 5.446 . 0 0 "[ ]" 3 34 1 52 THR HB 1 53 GLU H . . 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 3 35 1 52 THR MG 1 53 GLU H . . 5.930 4.405 4.405 4.405 . 0 0 "[ ]" 3 36 1 53 GLU H 1 54 PHE H . . 4.870 3.679 3.679 3.679 . 0 0 "[ ]" 3 37 1 53 GLU HA 1 54 PHE H . . 2.570 2.381 2.381 2.381 . 0 0 "[ ]" 3 38 1 53 GLU HA 1 54 PHE QD . . 7.620 3.943 3.943 3.943 . 0 0 "[ ]" 3 39 1 53 GLU HA 1 98 VAL H . . 3.910 3.317 3.317 3.317 . 0 0 "[ ]" 3 40 1 53 GLU QB 1 97 GLY H . . 8.100 3.960 3.960 3.960 . 0 0 "[ ]" 3 41 1 53 GLU QB 1 98 VAL H . . 7.500 4.722 4.722 4.722 . 0 0 "[ ]" 3 42 1 53 GLU QG 1 54 PHE H . . 7.480 4.405 4.405 4.405 . 0 0 "[ ]" 3 43 1 54 PHE H 1 54 PHE HB2 . . 3.210 2.197 2.197 2.197 . 0 0 "[ ]" 3 44 1 54 PHE H 1 54 PHE HB3 . . 4.080 3.479 3.479 3.479 . 0 0 "[ ]" 3 45 1 54 PHE H 1 55 ASP H . . 4.570 4.554 4.554 4.554 . 0 0 "[ ]" 3 46 1 54 PHE H 1 97 GLY HA2 . . 5.340 3.349 3.349 3.349 . 0 0 "[ ]" 3 47 1 54 PHE H 1 97 GLY HA3 . . 6.740 4.962 4.962 4.962 . 0 0 "[ ]" 3 48 1 54 PHE H 1 98 VAL H . . 2.980 2.682 2.682 2.682 . 0 0 "[ ]" 3 49 1 54 PHE H 1 98 VAL MG2 . . 5.340 3.427 3.427 3.427 . 0 0 "[ ]" 3 50 1 54 PHE H 1 103 ALA MB . . 8.340 4.305 4.305 4.305 . 0 0 "[ ]" 3 51 1 54 PHE HA 1 55 ASP H . . 2.570 2.285 2.285 2.285 . 0 0 "[ ]" 3 52 1 54 PHE HB2 1 55 ASP H . . 4.200 4.206 4.206 4.206 0.006 1 0 "[ ]" 3 53 1 54 PHE HB2 1 98 VAL H . . 6.740 3.777 3.777 3.777 . 0 0 "[ ]" 3 54 1 54 PHE HB3 1 55 ASP H . . 3.210 3.075 3.075 3.075 . 0 0 "[ ]" 3 55 1 54 PHE HB3 1 120 LYS H . . 6.740 4.755 4.755 4.755 . 0 0 "[ ]" 3 56 1 54 PHE QD 1 55 ASP H . . 10.140 3.987 3.987 3.987 . 0 0 "[ ]" 3 57 1 54 PHE QD 1 98 VAL H . . 10.140 4.949 4.949 4.949 . 0 0 "[ ]" 3 58 1 54 PHE QD 1 99 SER HA . . 7.620 4.037 4.037 4.037 . 0 0 "[ ]" 3 59 1 54 PHE QD 1 100 LYS H . . 10.140 3.540 3.540 3.540 . 0 0 "[ ]" 3 60 1 54 PHE QD 1 100 LYS HA . . 7.620 3.454 3.454 3.454 . 0 0 "[ ]" 3 61 1 54 PHE QD 1 100 LYS QB . . 8.500 3.114 3.114 3.114 . 0 0 "[ ]" 3 62 1 54 PHE QD 1 100 LYS QG . . 8.500 3.559 3.559 3.559 . 0 0 "[ ]" 3 63 1 54 PHE QD 1 103 ALA MB . . 8.650 3.687 3.687 3.687 . 0 0 "[ ]" 3 64 1 54 PHE QD 1 119 VAL QG . . 9.740 2.501 2.501 2.501 . 0 0 "[ ]" 3 65 1 54 PHE QD 1 120 LYS HA . . 7.620 5.283 5.283 5.283 . 0 0 "[ ]" 3 66 1 54 PHE QE 1 100 LYS H . . 9.940 4.168 4.168 4.168 . 0 0 "[ ]" 3 67 1 54 PHE QE 1 100 LYS HA . . 7.620 4.410 4.410 4.410 . 0 0 "[ ]" 3 68 1 54 PHE QE 1 100 LYS QB . . 8.500 2.782 2.782 2.782 . 0 0 "[ ]" 3 69 1 54 PHE QE 1 100 LYS QG . . 8.500 3.161 3.161 3.161 . 0 0 "[ ]" 3 70 1 54 PHE QE 1 100 LYS QE . . 8.500 4.326 4.326 4.326 . 0 0 "[ ]" 3 71 1 54 PHE QE 1 119 VAL QG . . 9.740 3.551 3.551 3.551 . 0 0 "[ ]" 3 72 1 54 PHE HZ 1 100 LYS H . . 6.740 5.880 5.880 5.880 . 0 0 "[ ]" 3 73 1 54 PHE HZ 1 100 LYS HA . . 5.500 5.456 5.456 5.456 . 0 0 "[ ]" 3 74 1 54 PHE HZ 1 100 LYS QB . . 6.380 3.628 3.628 3.628 . 0 0 "[ ]" 3 75 1 54 PHE HZ 1 100 LYS HG2 . . 5.500 4.738 4.738 4.738 . 0 0 "[ ]" 3 76 1 54 PHE HZ 1 100 LYS HG3 . . 5.500 3.318 3.318 3.318 . 0 0 "[ ]" 3 77 1 54 PHE HZ 1 100 LYS QE . . 6.380 4.761 4.761 4.761 . 0 0 "[ ]" 3 78 1 55 ASP H 1 56 VAL H . . 5.220 4.423 4.423 4.423 . 0 0 "[ ]" 3 79 1 55 ASP H 1 56 VAL MG2 . . 8.340 4.240 4.240 4.240 . 0 0 "[ ]" 3 80 1 55 ASP H 1 96 GLU HA . . 6.740 5.187 5.187 5.187 . 0 0 "[ ]" 3 81 1 55 ASP H 1 103 ALA MB . . 8.340 4.731 4.731 4.731 . 0 0 "[ ]" 3 82 1 55 ASP H 1 119 VAL QG . . 9.420 3.941 3.941 3.941 . 0 0 "[ ]" 3 83 1 55 ASP H 1 120 LYS H . . 3.720 3.128 3.128 3.128 . 0 0 "[ ]" 3 84 1 55 ASP H 1 120 LYS QB . . 7.620 5.105 5.105 5.105 . 0 0 "[ ]" 3 85 1 55 ASP H 1 120 LYS QG . . 7.620 3.680 3.680 3.680 . 0 0 "[ ]" 3 86 1 55 ASP HA 1 56 VAL H . . 2.600 2.269 2.269 2.269 . 0 0 "[ ]" 3 87 1 55 ASP HA 1 56 VAL MG2 . . 6.530 3.699 3.699 3.699 . 0 0 "[ ]" 3 88 1 55 ASP HA 1 96 GLU HA . . 3.210 2.621 2.621 2.621 . 0 0 "[ ]" 3 89 1 55 ASP HA 1 97 GLY H . . 3.560 3.078 3.078 3.078 . 0 0 "[ ]" 3 90 1 55 ASP HA 1 98 VAL MG2 . . 6.530 3.420 3.420 3.420 . 0 0 "[ ]" 3 91 1 55 ASP QB 1 96 GLU HA . . 6.380 3.572 3.572 3.572 . 0 0 "[ ]" 3 92 1 55 ASP QB 1 97 GLY H . . 8.100 4.330 4.330 4.330 . 0 0 "[ ]" 3 93 1 55 ASP QB 1 120 LYS H . . 8.100 3.179 3.179 3.179 . 0 0 "[ ]" 3 94 1 56 VAL H 1 56 VAL HB . . 3.020 2.493 2.493 2.493 . 0 0 "[ ]" 3 95 1 56 VAL H 1 57 ILE H . . 5.700 4.276 4.276 4.276 . 0 0 "[ ]" 3 96 1 56 VAL H 1 57 ILE HA . . 6.740 4.856 4.856 4.856 . 0 0 "[ ]" 3 97 1 56 VAL H 1 93 ALA MB . . 8.340 4.734 4.734 4.734 . 0 0 "[ ]" 3 98 1 56 VAL H 1 94 LEU H . . 5.650 4.212 4.212 4.212 . 0 0 "[ ]" 3 99 1 56 VAL H 1 94 LEU HB3 . . 6.150 5.299 5.299 5.299 . 0 0 "[ ]" 3 100 1 56 VAL H 1 95 LYS H . . 3.210 2.794 2.794 2.794 . 0 0 "[ ]" 3 101 1 56 VAL H 1 95 LYS HB2 . . 6.280 3.237 3.237 3.237 . 0 0 "[ ]" 3 102 1 56 VAL H 1 95 LYS HB3 . . 6.740 4.781 4.781 4.781 . 0 0 "[ ]" 3 103 1 56 VAL H 1 96 GLU HA . . 3.910 3.843 3.843 3.843 . 0 0 "[ ]" 3 104 1 56 VAL H 1 98 VAL MG2 . . 5.970 3.613 3.613 3.613 . 0 0 "[ ]" 3 105 1 56 VAL HA 1 57 ILE H . . 2.640 2.187 2.187 2.187 . 0 0 "[ ]" 3 106 1 56 VAL HA 1 119 VAL HA . . 3.390 3.083 3.083 3.083 . 0 0 "[ ]" 3 107 1 56 VAL HB 1 57 ILE H . . 4.450 4.429 4.429 4.429 . 0 0 "[ ]" 3 108 1 56 VAL HB 1 94 LEU H . . 6.190 4.012 4.012 4.012 . 0 0 "[ ]" 3 109 1 56 VAL HB 1 95 LYS H . . 3.640 2.808 2.808 2.808 . 0 0 "[ ]" 3 110 1 56 VAL MG1 1 57 ILE H . . 5.970 3.138 3.138 3.138 . 0 0 "[ ]" 3 111 1 56 VAL MG2 1 57 ILE H . . 8.340 4.207 4.207 4.207 . 0 0 "[ ]" 3 112 1 56 VAL MG2 1 95 LYS H . . 6.740 4.119 4.119 4.119 . 0 0 "[ ]" 3 113 1 56 VAL MG2 1 103 ALA H . . 7.310 4.030 4.030 4.030 . 0 0 "[ ]" 3 114 1 56 VAL MG2 1 106 LEU H . . 7.360 4.646 4.646 4.646 . 0 0 "[ ]" 3 115 1 56 VAL MG2 1 107 LYS H . . 8.340 4.007 4.007 4.007 . 0 0 "[ ]" 3 116 1 56 VAL MG2 1 120 LYS H . . 8.340 4.573 4.573 4.573 . 0 0 "[ ]" 3 117 1 57 ILE H 1 57 ILE HB . . 3.050 2.379 2.379 2.379 . 0 0 "[ ]" 3 118 1 57 ILE H 1 57 ILE MD . . 5.340 3.547 3.547 3.547 . 0 0 "[ ]" 3 119 1 57 ILE H 1 58 LEU H . . 5.650 4.533 4.533 4.533 . 0 0 "[ ]" 3 120 1 57 ILE H 1 93 ALA MB . . 8.340 5.625 5.625 5.625 . 0 0 "[ ]" 3 121 1 57 ILE H 1 117 VAL QG . . 6.860 3.367 3.367 3.367 . 0 0 "[ ]" 3 122 1 57 ILE H 1 118 GLU H . . 3.560 3.028 3.028 3.028 . 0 0 "[ ]" 3 123 1 57 ILE H 1 118 GLU HB3 . . 6.740 3.185 3.185 3.185 . 0 0 "[ ]" 3 124 1 57 ILE H 1 119 VAL HA . . 3.960 3.731 3.731 3.731 . 0 0 "[ ]" 3 125 1 57 ILE HA 1 58 LEU H . . 2.800 2.307 2.307 2.307 . 0 0 "[ ]" 3 126 1 57 ILE HA 1 92 ALA H . . 5.400 4.345 4.345 4.345 . 0 0 "[ ]" 3 127 1 57 ILE HA 1 94 LEU H . . 3.120 2.383 2.383 2.383 . 0 0 "[ ]" 3 128 1 57 ILE HB 1 118 GLU H . . 4.410 3.881 3.881 3.881 . 0 0 "[ ]" 3 129 1 57 ILE MG 1 58 LEU H . . 5.650 2.202 2.202 2.202 . 0 0 "[ ]" 3 130 1 57 ILE MG 1 91 PRO HA . . 6.530 3.466 3.466 3.466 . 0 0 "[ ]" 3 131 1 57 ILE MG 1 92 ALA H . . 4.950 2.388 2.388 2.388 . 0 0 "[ ]" 3 132 1 57 ILE MG 1 93 ALA H . . 8.340 4.028 4.028 4.028 . 0 0 "[ ]" 3 133 1 57 ILE MG 1 94 LEU H . . 8.340 4.315 4.315 4.315 . 0 0 "[ ]" 3 134 1 57 ILE MG 1 118 GLU H . . 8.240 4.109 4.109 4.109 . 0 0 "[ ]" 3 135 1 57 ILE QG 1 93 ALA H . . 8.100 3.773 3.773 3.773 . 0 0 "[ ]" 3 136 1 57 ILE MD 1 118 GLU H . . 8.340 5.353 5.353 5.353 . 0 0 "[ ]" 3 137 1 58 LEU H 1 58 LEU HA . . 2.910 2.933 2.933 2.933 0.023 1 0 "[ ]" 3 138 1 58 LEU H 1 58 LEU HB2 . . 3.400 3.103 3.103 3.103 . 0 0 "[ ]" 3 139 1 58 LEU H 1 58 LEU HB3 . . 3.180 2.329 2.329 2.329 . 0 0 "[ ]" 3 140 1 58 LEU H 1 58 LEU HG . . 5.220 4.500 4.500 4.500 . 0 0 "[ ]" 3 141 1 58 LEU H 1 59 LYS H . . 4.830 4.380 4.380 4.380 . 0 0 "[ ]" 3 142 1 58 LEU H 1 92 ALA H . . 4.000 2.628 2.628 2.628 . 0 0 "[ ]" 3 143 1 58 LEU H 1 92 ALA MB . . 8.340 3.741 3.741 3.741 . 0 0 "[ ]" 3 144 1 58 LEU H 1 94 LEU MD1 . . 5.390 3.799 3.799 3.799 . 0 0 "[ ]" 3 145 1 58 LEU HA 1 59 LYS H . . 2.870 2.178 2.178 2.178 . 0 0 "[ ]" 3 146 1 58 LEU HA 1 60 ALA H . . 4.260 4.235 4.235 4.235 . 0 0 "[ ]" 3 147 1 58 LEU HA 1 117 VAL HA . . 3.450 2.738 2.738 2.738 . 0 0 "[ ]" 3 148 1 58 LEU HA 1 118 GLU H . . 4.320 3.646 3.646 3.646 . 0 0 "[ ]" 3 149 1 58 LEU HB2 1 59 LYS H . . 6.740 4.225 4.225 4.225 . 0 0 "[ ]" 3 150 1 58 LEU HB3 1 92 ALA H . . 5.260 3.438 3.438 3.438 . 0 0 "[ ]" 3 151 1 58 LEU QD 1 59 LYS H . . 7.720 3.413 3.413 3.413 . 0 0 "[ ]" 3 152 1 58 LEU QD 1 60 ALA H . . 7.480 3.602 3.602 3.602 . 0 0 "[ ]" 3 153 1 58 LEU QD 1 61 ALA H . . 10.160 3.378 3.378 3.378 . 0 0 "[ ]" 3 154 1 58 LEU QD 1 90 ALA H . . 10.160 3.961 3.961 3.961 . 0 0 "[ ]" 3 155 1 58 LEU QD 1 92 ALA H . . 10.160 3.152 3.152 3.152 . 0 0 "[ ]" 3 156 1 58 LEU QD 1 116 GLU H . . 8.660 4.913 4.913 4.913 . 0 0 "[ ]" 3 157 1 59 LYS H 1 59 LYS HB2 . . 3.130 2.394 2.394 2.394 . 0 0 "[ ]" 3 158 1 59 LYS H 1 59 LYS HB3 . . 4.000 3.596 3.596 3.596 . 0 0 "[ ]" 3 159 1 59 LYS H 1 59 LYS QG . . 5.080 2.630 2.630 2.630 . 0 0 "[ ]" 3 160 1 59 LYS H 1 60 ALA H . . 2.830 2.408 2.408 2.408 . 0 0 "[ ]" 3 161 1 59 LYS H 1 61 ALA H . . 5.960 5.991 5.991 5.991 0.031 1 0 "[ ]" 3 162 1 59 LYS H 1 117 VAL HA . . 3.330 2.842 2.842 2.842 . 0 0 "[ ]" 3 163 1 59 LYS H 1 118 GLU H . . 4.240 4.234 4.234 4.234 . 0 0 "[ ]" 3 164 1 59 LYS HA 1 91 PRO HA . . 3.550 2.818 2.818 2.818 . 0 0 "[ ]" 3 165 1 59 LYS HA 1 92 ALA H . . 3.960 4.083 4.083 4.083 0.123 1 0 "[ ]" 3 166 1 59 LYS HB2 1 60 ALA H . . 3.510 2.428 2.428 2.428 . 0 0 "[ ]" 3 167 1 59 LYS HB3 1 60 ALA H . . 3.330 3.396 3.396 3.396 0.066 1 0 "[ ]" 3 168 1 59 LYS HB3 1 118 GLU H . . 6.740 6.613 6.613 6.613 . 0 0 "[ ]" 3 169 1 59 LYS HG2 1 118 GLU H . . 5.780 5.339 5.339 5.339 . 0 0 "[ ]" 3 170 1 59 LYS HG3 1 118 GLU H . . 5.780 3.802 3.802 3.802 . 0 0 "[ ]" 3 171 1 59 LYS QG 1 60 ALA H . . 4.960 4.061 4.061 4.061 . 0 0 "[ ]" 3 172 1 59 LYS QG 1 118 GLU H . . 5.440 3.725 3.725 3.725 . 0 0 "[ ]" 3 173 1 60 ALA H 1 61 ALA H . . 4.570 4.272 4.272 4.272 . 0 0 "[ ]" 3 174 1 60 ALA H 1 90 ALA MB . . 6.600 4.510 4.510 4.510 . 0 0 "[ ]" 3 175 1 60 ALA H 1 116 GLU H . . 3.600 3.255 3.255 3.255 . 0 0 "[ ]" 3 176 1 60 ALA H 1 116 GLU HB2 . . 4.750 3.920 3.920 3.920 . 0 0 "[ ]" 3 177 1 60 ALA H 1 116 GLU HB3 . . 4.320 2.280 2.280 2.280 . 0 0 "[ ]" 3 178 1 60 ALA HA 1 61 ALA H . . 2.570 2.204 2.204 2.204 . 0 0 "[ ]" 3 179 1 60 ALA HA 1 62 GLY H . . 4.370 3.614 3.614 3.614 . 0 0 "[ ]" 3 180 1 60 ALA MB 1 116 GLU H . . 5.480 2.911 2.911 2.911 . 0 0 "[ ]" 3 181 1 61 ALA H 1 62 GLY H . . 3.210 2.521 2.521 2.521 . 0 0 "[ ]" 3 182 1 61 ALA H 1 115 ALA MB . . 5.700 4.548 4.548 4.548 . 0 0 "[ ]" 3 183 1 61 ALA HA 1 62 GLY H . . 3.640 3.519 3.519 3.519 . 0 0 "[ ]" 3 184 1 61 ALA HA 1 115 ALA H . . 6.740 6.212 6.212 6.212 . 0 0 "[ ]" 3 185 1 61 ALA HA 1 116 GLU H . . 4.000 4.068 4.068 4.068 0.068 1 0 "[ ]" 3 186 1 61 ALA MB 1 62 GLY H . . 4.080 2.927 2.927 2.927 . 0 0 "[ ]" 3 187 1 62 GLY H 1 62 GLY HA2 . . 2.640 2.271 2.271 2.271 . 0 0 "[ ]" 3 188 1 62 GLY H 1 62 GLY HA3 . . 2.870 2.875 2.875 2.875 0.005 1 0 "[ ]" 3 189 1 62 GLY H 1 63 ALA H . . 5.040 4.640 4.640 4.640 . 0 0 "[ ]" 3 190 1 62 GLY H 1 115 ALA MB . . 7.640 4.201 4.201 4.201 . 0 0 "[ ]" 3 191 1 62 GLY HA2 1 63 ALA H . . 3.130 2.926 2.926 2.926 . 0 0 "[ ]" 3 192 1 62 GLY HA2 1 64 ASN H . . 5.040 4.347 4.347 4.347 . 0 0 "[ ]" 3 193 1 62 GLY HA3 1 63 ALA H . . 3.440 2.358 2.358 2.358 . 0 0 "[ ]" 3 194 1 62 GLY HA3 1 64 ASN H . . 4.370 3.512 3.512 3.512 . 0 0 "[ ]" 3 195 1 63 ALA H 1 64 ASN H . . 3.020 3.094 3.094 3.094 0.074 1 0 "[ ]" 3 196 1 64 ASN H 1 64 ASN HA . . 2.870 2.862 2.862 2.862 . 0 0 "[ ]" 3 197 1 64 ASN H 1 64 ASN HB2 . . 3.290 3.108 3.108 3.108 . 0 0 "[ ]" 3 198 1 64 ASN H 1 64 ASN HB3 . . 3.250 3.110 3.110 3.110 . 0 0 "[ ]" 3 199 1 64 ASN H 1 65 LYS H . . 3.290 2.708 2.708 2.708 . 0 0 "[ ]" 3 200 1 64 ASN H 1 67 ALA MB . . 8.340 5.465 5.465 5.465 . 0 0 "[ ]" 3 201 1 64 ASN H 1 115 ALA MB . . 8.340 4.540 4.540 4.540 . 0 0 "[ ]" 3 202 1 64 ASN HA 1 65 LYS H . . 2.640 2.670 2.670 2.670 0.030 1 0 "[ ]" 3 203 1 64 ASN HA 1 66 VAL H . . 4.570 3.169 3.169 3.169 . 0 0 "[ ]" 3 204 1 64 ASN HA 1 67 ALA H . . 6.650 3.937 3.937 3.937 . 0 0 "[ ]" 3 205 1 64 ASN HB2 1 65 LYS H . . 6.690 4.702 4.702 4.702 . 0 0 "[ ]" 3 206 1 64 ASN HB3 1 67 ALA H . . 5.430 4.052 4.052 4.052 . 0 0 "[ ]" 3 207 1 64 ASN HD21 1 67 ALA MB . . 6.800 3.442 3.442 3.442 . 0 0 "[ ]" 3 208 1 64 ASN HD22 1 67 ALA MB . . 6.230 2.737 2.737 2.737 . 0 0 "[ ]" 3 209 1 64 ASN HD22 1 113 ALA MB . . 8.340 3.009 3.009 3.009 . 0 0 "[ ]" 3 210 1 65 LYS H 1 65 LYS HB2 . . 3.130 2.086 2.086 2.086 . 0 0 "[ ]" 3 211 1 65 LYS H 1 65 LYS HB3 . . 2.870 2.944 2.944 2.944 0.074 1 0 "[ ]" 3 212 1 65 LYS H 1 65 LYS HG2 . . 5.470 4.425 4.425 4.425 . 0 0 "[ ]" 3 213 1 65 LYS H 1 65 LYS HG3 . . 4.320 3.956 3.956 3.956 . 0 0 "[ ]" 3 214 1 65 LYS H 1 66 VAL H . . 3.180 2.604 2.604 2.604 . 0 0 "[ ]" 3 215 1 65 LYS H 1 66 VAL HB . . 6.690 4.678 4.678 4.678 . 0 0 "[ ]" 3 216 1 65 LYS H 1 66 VAL MG2 . . 8.340 3.914 3.914 3.914 . 0 0 "[ ]" 3 217 1 65 LYS HA 1 68 VAL H . . 3.830 3.470 3.470 3.470 . 0 0 "[ ]" 3 218 1 65 LYS HA 1 69 ILE H . . 4.240 3.738 3.738 3.738 . 0 0 "[ ]" 3 219 1 65 LYS HB2 1 66 VAL H . . 3.680 3.786 3.786 3.786 0.106 1 0 "[ ]" 3 220 1 65 LYS HB3 1 66 VAL H . . 3.800 3.247 3.247 3.247 . 0 0 "[ ]" 3 221 1 65 LYS HG2 1 66 VAL H . . 6.740 4.880 4.880 4.880 . 0 0 "[ ]" 3 222 1 65 LYS HG2 1 68 VAL H . . 6.740 5.313 5.313 5.313 . 0 0 "[ ]" 3 223 1 65 LYS HG2 1 69 ILE H . . 6.740 4.052 4.052 4.052 . 0 0 "[ ]" 3 224 1 65 LYS HG3 1 66 VAL H . . 6.740 5.324 5.324 5.324 . 0 0 "[ ]" 3 225 1 66 VAL H 1 66 VAL HB . . 2.640 2.282 2.282 2.282 . 0 0 "[ ]" 3 226 1 66 VAL H 1 66 VAL MG2 . . 3.920 2.210 2.210 2.210 . 0 0 "[ ]" 3 227 1 66 VAL H 1 67 ALA H . . 3.090 2.827 2.827 2.827 . 0 0 "[ ]" 3 228 1 66 VAL H 1 67 ALA MB . . 8.340 4.364 4.364 4.364 . 0 0 "[ ]" 3 229 1 66 VAL H 1 68 VAL H . . 5.220 3.860 3.860 3.860 . 0 0 "[ ]" 3 230 1 66 VAL HA 1 69 ILE H . . 3.830 3.711 3.711 3.711 . 0 0 "[ ]" 3 231 1 66 VAL HA 1 70 LYS H . . 6.740 4.481 4.481 4.481 . 0 0 "[ ]" 3 232 1 66 VAL HB 1 67 ALA H . . 2.830 2.329 2.329 2.329 . 0 0 "[ ]" 3 233 1 66 VAL MG1 1 67 ALA H . . 5.340 2.900 2.900 2.900 . 0 0 "[ ]" 3 234 1 66 VAL MG1 1 70 LYS H . . 6.930 4.437 4.437 4.437 . 0 0 "[ ]" 3 235 1 66 VAL MG2 1 67 ALA H . . 8.340 3.859 3.859 3.859 . 0 0 "[ ]" 3 236 1 67 ALA H 1 68 VAL H . . 2.910 2.728 2.728 2.728 . 0 0 "[ ]" 3 237 1 67 ALA H 1 68 VAL MG2 . . 8.340 4.349 4.349 4.349 . 0 0 "[ ]" 3 238 1 67 ALA H 1 69 ILE H . . 6.740 4.582 4.582 4.582 . 0 0 "[ ]" 3 239 1 67 ALA H 1 113 ALA MB . . 8.290 4.190 4.190 4.190 . 0 0 "[ ]" 3 240 1 67 ALA HA 1 70 LYS H . . 4.040 3.446 3.446 3.446 . 0 0 "[ ]" 3 241 1 67 ALA MB 1 113 ALA H . . 7.800 4.621 4.621 4.621 . 0 0 "[ ]" 3 242 1 68 VAL H 1 68 VAL HB . . 2.870 2.278 2.278 2.278 . 0 0 "[ ]" 3 243 1 68 VAL H 1 68 VAL MG2 . . 4.120 2.353 2.353 2.353 . 0 0 "[ ]" 3 244 1 68 VAL H 1 69 ILE H . . 3.330 2.881 2.881 2.881 . 0 0 "[ ]" 3 245 1 68 VAL H 1 69 ILE HB . . 4.690 4.727 4.727 4.727 0.037 1 0 "[ ]" 3 246 1 68 VAL H 1 71 ALA MB . . 5.780 4.752 4.752 4.752 . 0 0 "[ ]" 3 247 1 68 VAL HA 1 71 ALA H . . 5.260 3.278 3.278 3.278 . 0 0 "[ ]" 3 248 1 68 VAL HB 1 69 ILE H . . 3.400 2.421 2.421 2.421 . 0 0 "[ ]" 3 249 1 68 VAL MG1 1 69 ILE H . . 5.530 2.889 2.889 2.889 . 0 0 "[ ]" 3 250 1 68 VAL MG1 1 71 ALA H . . 8.290 4.561 4.561 4.561 . 0 0 "[ ]" 3 251 1 68 VAL MG2 1 69 ILE H . . 8.340 3.922 3.922 3.922 . 0 0 "[ ]" 3 252 1 69 ILE H 1 69 ILE HB . . 2.570 2.270 2.270 2.270 . 0 0 "[ ]" 3 253 1 69 ILE H 1 69 ILE MD . . 5.740 3.253 3.253 3.253 . 0 0 "[ ]" 3 254 1 69 ILE H 1 70 LYS H . . 3.440 2.823 2.823 2.823 . 0 0 "[ ]" 3 255 1 69 ILE H 1 87 VAL MG1 . . 5.700 4.532 4.532 4.532 . 0 0 "[ ]" 3 256 1 69 ILE H 1 87 VAL MG2 . . 5.700 4.042 4.042 4.042 . 0 0 "[ ]" 3 257 1 69 ILE HA 1 72 VAL H . . 4.120 3.418 3.418 3.418 . 0 0 "[ ]" 3 258 1 69 ILE HA 1 73 ARG H . . 5.560 3.824 3.824 3.824 . 0 0 "[ ]" 3 259 1 69 ILE HB 1 70 LYS H . . 2.910 2.919 2.919 2.919 0.009 1 0 "[ ]" 3 260 1 69 ILE MG 1 70 LYS H . . 5.530 3.260 3.260 3.260 . 0 0 "[ ]" 3 261 1 69 ILE MG 1 73 ARG H . . 8.340 3.680 3.680 3.680 . 0 0 "[ ]" 3 262 1 69 ILE MG 1 83 ALA H . . 6.930 5.144 5.144 5.144 . 0 0 "[ ]" 3 263 1 69 ILE MG 1 84 LYS H . . 5.530 4.341 4.341 4.341 . 0 0 "[ ]" 3 264 1 70 LYS H 1 70 LYS HG2 . . 4.690 3.551 3.551 3.551 . 0 0 "[ ]" 3 265 1 70 LYS H 1 70 LYS HG3 . . 3.870 2.517 2.517 2.517 . 0 0 "[ ]" 3 266 1 70 LYS H 1 71 ALA H . . 3.180 2.706 2.706 2.706 . 0 0 "[ ]" 3 267 1 70 LYS H 1 72 VAL H . . 6.060 3.983 3.983 3.983 . 0 0 "[ ]" 3 268 1 70 LYS HA 1 72 VAL H . . 5.830 4.351 4.351 4.351 . 0 0 "[ ]" 3 269 1 70 LYS HA 1 73 ARG H . . 4.830 4.049 4.049 4.049 . 0 0 "[ ]" 3 270 1 70 LYS QB 1 71 ALA H . . 4.290 2.542 2.542 2.542 . 0 0 "[ ]" 3 271 1 70 LYS QB 1 72 VAL H . . 8.100 4.625 4.625 4.625 . 0 0 "[ ]" 3 272 1 70 LYS HG2 1 74 GLY H . . 6.000 5.924 5.924 5.924 . 0 0 "[ ]" 3 273 1 70 LYS HG3 1 71 ALA H . . 6.740 4.568 4.568 4.568 . 0 0 "[ ]" 3 274 1 71 ALA H 1 72 VAL H . . 3.210 2.749 2.749 2.749 . 0 0 "[ ]" 3 275 1 71 ALA H 1 72 VAL HB . . 6.450 4.836 4.836 4.836 . 0 0 "[ ]" 3 276 1 71 ALA HA 1 74 GLY H . . 4.160 3.705 3.705 3.705 . 0 0 "[ ]" 3 277 1 71 ALA HA 1 75 ALA H . . 5.870 4.118 4.118 4.118 . 0 0 "[ ]" 3 278 1 71 ALA MB 1 74 GLY H . . 5.880 4.631 4.631 4.631 . 0 0 "[ ]" 3 279 1 72 VAL H 1 72 VAL HB . . 2.800 2.376 2.376 2.376 . 0 0 "[ ]" 3 280 1 72 VAL H 1 72 VAL MG2 . . 4.080 2.178 2.178 2.178 . 0 0 "[ ]" 3 281 1 72 VAL H 1 73 ARG H . . 3.250 3.125 3.125 3.125 . 0 0 "[ ]" 3 282 1 72 VAL H 1 106 LEU MD2 . . 6.100 4.902 4.902 4.902 . 0 0 "[ ]" 3 283 1 72 VAL H 1 110 LEU MD2 . . 5.700 4.625 4.625 4.625 . 0 0 "[ ]" 3 284 1 72 VAL HA 1 75 ALA H . . 4.120 3.432 3.432 3.432 . 0 0 "[ ]" 3 285 1 72 VAL HA 1 76 THR H . . 6.740 4.359 4.359 4.359 . 0 0 "[ ]" 3 286 1 72 VAL HB 1 73 ARG H . . 3.330 2.041 2.041 2.041 . 0 0 "[ ]" 3 287 1 72 VAL MG1 1 73 ARG H . . 5.700 2.587 2.587 2.587 . 0 0 "[ ]" 3 288 1 72 VAL MG1 1 76 THR H . . 7.550 4.293 4.293 4.293 . 0 0 "[ ]" 3 289 1 72 VAL MG2 1 73 ARG H . . 6.230 3.705 3.705 3.705 . 0 0 "[ ]" 3 290 1 73 ARG H 1 73 ARG QG . . 5.130 2.216 2.216 2.216 . 0 0 "[ ]" 3 291 1 73 ARG H 1 73 ARG HD2 . . 6.740 4.351 4.351 4.351 . 0 0 "[ ]" 3 292 1 73 ARG H 1 73 ARG HD3 . . 6.740 4.736 4.736 4.736 . 0 0 "[ ]" 3 293 1 73 ARG H 1 74 GLY H . . 3.330 2.802 2.802 2.802 . 0 0 "[ ]" 3 294 1 73 ARG H 1 75 ALA H . . 4.870 4.315 4.315 4.315 . 0 0 "[ ]" 3 295 1 73 ARG H 1 83 ALA MB . . 5.390 3.088 3.088 3.088 . 0 0 "[ ]" 3 296 1 73 ARG HA 1 75 ALA H . . 4.830 4.192 4.192 4.192 . 0 0 "[ ]" 3 297 1 73 ARG HA 1 76 THR H . . 3.640 3.238 3.238 3.238 . 0 0 "[ ]" 3 298 1 73 ARG HA 1 77 GLY H . . 3.050 2.148 2.148 2.148 . 0 0 "[ ]" 3 299 1 73 ARG HA 1 78 LEU H . . 3.680 2.687 2.687 2.687 . 0 0 "[ ]" 3 300 1 73 ARG QG 1 74 GLY H . . 5.880 2.096 2.096 2.096 . 0 0 "[ ]" 3 301 1 74 GLY H 1 74 GLY HA3 . . 2.710 2.257 2.257 2.257 . 0 0 "[ ]" 3 302 1 74 GLY H 1 75 ALA H . . 2.980 2.525 2.525 2.525 . 0 0 "[ ]" 3 303 1 74 GLY H 1 76 THR H . . 5.780 3.750 3.750 3.750 . 0 0 "[ ]" 3 304 1 74 GLY H 1 77 GLY H . . 6.230 4.769 4.769 4.769 . 0 0 "[ ]" 3 305 1 74 GLY HA3 1 75 ALA H . . 3.400 2.986 2.986 2.986 . 0 0 "[ ]" 3 306 1 74 GLY HA3 1 77 GLY H . . 6.230 5.934 5.934 5.934 . 0 0 "[ ]" 3 307 1 75 ALA H 1 76 THR H . . 2.980 2.267 2.267 2.267 . 0 0 "[ ]" 3 308 1 75 ALA H 1 76 THR MG . . 8.340 3.568 3.568 3.568 . 0 0 "[ ]" 3 309 1 75 ALA H 1 77 GLY H . . 5.180 4.509 4.509 4.509 . 0 0 "[ ]" 3 310 1 76 THR H 1 76 THR HG1 . . 3.150 2.071 2.071 2.071 . 0 0 "[ ]" 3 311 1 76 THR H 1 77 GLY H . . 2.570 2.583 2.583 2.583 0.013 1 0 "[ ]" 3 312 1 76 THR H 1 94 LEU MD2 . . 8.340 4.717 4.717 4.717 . 0 0 "[ ]" 3 313 1 76 THR HA 1 78 LEU H . . 5.390 4.758 4.758 4.758 . 0 0 "[ ]" 3 314 1 76 THR HB 1 77 GLY H . . 4.570 3.076 3.076 3.076 . 0 0 "[ ]" 3 315 1 76 THR HB 1 78 LEU H . . 3.440 3.262 3.262 3.262 . 0 0 "[ ]" 3 316 1 76 THR MG 1 77 GLY H . . 7.550 3.609 3.609 3.609 . 0 0 "[ ]" 3 317 1 76 THR MG 1 78 LEU H . . 7.070 4.158 4.158 4.158 . 0 0 "[ ]" 3 318 1 76 THR MG 1 96 GLU H . . 8.340 6.142 6.142 6.142 . 0 0 "[ ]" 3 319 1 76 THR HG1 1 77 GLY H . . 4.870 2.419 2.419 2.419 . 0 0 "[ ]" 3 320 1 76 THR HG1 1 78 LEU H . . 4.160 3.299 3.299 3.299 . 0 0 "[ ]" 3 321 1 77 GLY H 1 78 LEU H . . 3.130 1.804 1.804 1.804 . 0 0 "[ ]" 3 322 1 77 GLY H 1 78 LEU HB2 . . 4.240 3.903 3.903 3.903 . 0 0 "[ ]" 3 323 1 77 GLY H 1 94 LEU MD2 . . 8.340 5.923 5.923 5.923 . 0 0 "[ ]" 3 324 1 78 LEU H 1 78 LEU HB2 . . 2.800 2.338 2.338 2.338 . 0 0 "[ ]" 3 325 1 78 LEU H 1 78 LEU HB3 . . 3.800 3.530 3.530 3.530 . 0 0 "[ ]" 3 326 1 78 LEU H 1 78 LEU HG . . 2.940 2.462 2.462 2.462 . 0 0 "[ ]" 3 327 1 78 LEU H 1 78 LEU MD1 . . 5.780 3.313 3.313 3.313 . 0 0 "[ ]" 3 328 1 78 LEU H 1 78 LEU MD2 . . 5.530 3.743 3.743 3.743 . 0 0 "[ ]" 3 329 1 78 LEU H 1 79 GLY H . . 6.740 4.649 4.649 4.649 . 0 0 "[ ]" 3 330 1 78 LEU HA 1 79 GLY H . . 2.600 2.366 2.366 2.366 . 0 0 "[ ]" 3 331 1 78 LEU HB2 1 79 GLY H . . 4.280 3.923 3.923 3.923 . 0 0 "[ ]" 3 332 1 78 LEU HB3 1 79 GLY H . . 3.480 2.719 2.719 2.719 . 0 0 "[ ]" 3 333 1 78 LEU HB3 1 82 GLU H . . 4.570 4.655 4.655 4.655 0.085 1 0 "[ ]" 3 334 1 78 LEU HB3 1 83 ALA H . . 4.830 3.727 3.727 3.727 . 0 0 "[ ]" 3 335 1 78 LEU MD1 1 79 GLY H . . 8.340 4.810 4.810 4.810 . 0 0 "[ ]" 3 336 1 78 LEU MD1 1 82 GLU H . . 8.340 5.936 5.936 5.936 . 0 0 "[ ]" 3 337 1 78 LEU MD1 1 83 ALA H . . 8.340 4.675 4.675 4.675 . 0 0 "[ ]" 3 338 1 78 LEU MD2 1 79 GLY H . . 5.700 3.349 3.349 3.349 . 0 0 "[ ]" 3 339 1 78 LEU MD2 1 82 GLU H . . 8.340 5.574 5.574 5.574 . 0 0 "[ ]" 3 340 1 78 LEU MD2 1 83 ALA H . . 7.120 5.336 5.336 5.336 . 0 0 "[ ]" 3 341 1 79 GLY H 1 79 GLY HA3 . . 2.750 2.248 2.248 2.248 . 0 0 "[ ]" 3 342 1 79 GLY H 1 82 GLU HB2 . . 4.830 2.705 2.705 2.705 . 0 0 "[ ]" 3 343 1 79 GLY H 1 82 GLU HB3 . . 5.870 4.023 4.023 4.023 . 0 0 "[ ]" 3 344 1 79 GLY HA2 1 80 LEU H . . 2.830 2.283 2.283 2.283 . 0 0 "[ ]" 3 345 1 79 GLY HA3 1 80 LEU H . . 2.980 3.046 3.046 3.046 0.066 1 0 "[ ]" 3 346 1 80 LEU H 1 80 LEU HB2 . . 2.830 2.109 2.109 2.109 . 0 0 "[ ]" 3 347 1 80 LEU H 1 80 LEU HB3 . . 2.940 2.861 2.861 2.861 . 0 0 "[ ]" 3 348 1 80 LEU H 1 80 LEU HG . . 5.180 4.483 4.483 4.483 . 0 0 "[ ]" 3 349 1 80 LEU H 1 81 LYS H . . 3.400 2.987 2.987 2.987 . 0 0 "[ ]" 3 350 1 80 LEU HA 1 83 ALA H . . 4.240 3.726 3.726 3.726 . 0 0 "[ ]" 3 351 1 80 LEU HB2 1 81 LYS H . . 3.560 3.654 3.654 3.654 0.094 1 0 "[ ]" 3 352 1 80 LEU HB3 1 81 LYS H . . 2.910 2.587 2.587 2.587 . 0 0 "[ ]" 3 353 1 80 LEU HG 1 81 LYS H . . 5.220 4.337 4.337 4.337 . 0 0 "[ ]" 3 354 1 80 LEU QD 1 81 LYS H . . 10.160 4.061 4.061 4.061 . 0 0 "[ ]" 3 355 1 80 LEU QD 1 83 ALA H . . 9.070 4.996 4.996 4.996 . 0 0 "[ ]" 3 356 1 80 LEU QD 1 84 LYS H . . 8.370 4.681 4.681 4.681 . 0 0 "[ ]" 3 357 1 81 LYS H 1 81 LYS HB2 . . 2.870 2.413 2.413 2.413 . 0 0 "[ ]" 3 358 1 81 LYS H 1 81 LYS HB3 . . 2.870 2.509 2.509 2.509 . 0 0 "[ ]" 3 359 1 81 LYS H 1 82 GLU H . . 2.940 2.934 2.934 2.934 . 0 0 "[ ]" 3 360 1 81 LYS HA 1 84 LYS H . . 3.760 3.293 3.293 3.293 . 0 0 "[ ]" 3 361 1 81 LYS HA 1 85 ASP H . . 4.160 3.961 3.961 3.961 . 0 0 "[ ]" 3 362 1 81 LYS HB2 1 82 GLU H . . 5.220 3.709 3.709 3.709 . 0 0 "[ ]" 3 363 1 81 LYS HB3 1 82 GLU H . . 2.940 2.259 2.259 2.259 . 0 0 "[ ]" 3 364 1 81 LYS HG2 1 82 GLU H . . 5.390 3.441 3.441 3.441 . 0 0 "[ ]" 3 365 1 81 LYS HG3 1 82 GLU H . . 5.390 4.555 4.555 4.555 . 0 0 "[ ]" 3 366 1 82 GLU H 1 82 GLU HB2 . . 2.830 2.397 2.397 2.397 . 0 0 "[ ]" 3 367 1 82 GLU H 1 82 GLU HG2 . . 3.760 2.350 2.350 2.350 . 0 0 "[ ]" 3 368 1 82 GLU H 1 82 GLU HG3 . . 3.760 3.314 3.314 3.314 . 0 0 "[ ]" 3 369 1 82 GLU H 1 82 GLU QG . . 3.440 2.304 2.304 2.304 . 0 0 "[ ]" 3 370 1 82 GLU H 1 83 ALA H . . 3.210 3.003 3.003 3.003 . 0 0 "[ ]" 3 371 1 82 GLU HA 1 85 ASP H . . 3.560 3.644 3.644 3.644 0.084 1 0 "[ ]" 3 372 1 82 GLU HB2 1 83 ALA H . . 3.400 2.670 2.670 2.670 . 0 0 "[ ]" 3 373 1 82 GLU HB3 1 83 ALA H . . 3.960 3.424 3.424 3.424 . 0 0 "[ ]" 3 374 1 83 ALA H 1 84 LYS H . . 3.050 2.698 2.698 2.698 . 0 0 "[ ]" 3 375 1 83 ALA H 1 84 LYS HB3 . . 6.320 4.780 4.780 4.780 . 0 0 "[ ]" 3 376 1 83 ALA H 1 85 ASP H . . 4.530 4.405 4.405 4.405 . 0 0 "[ ]" 3 377 1 83 ALA H 1 86 LEU QB . . 6.620 4.533 4.533 4.533 . 0 0 "[ ]" 3 378 1 83 ALA HA 1 86 LEU H . . 3.680 3.481 3.481 3.481 . 0 0 "[ ]" 3 379 1 83 ALA HA 1 87 VAL H . . 4.690 3.975 3.975 3.975 . 0 0 "[ ]" 3 380 1 83 ALA MB 1 87 VAL H . . 7.550 4.473 4.473 4.473 . 0 0 "[ ]" 3 381 1 84 LYS H 1 84 LYS HB2 . . 2.870 2.516 2.516 2.516 . 0 0 "[ ]" 3 382 1 84 LYS H 1 84 LYS HB3 . . 2.910 2.403 2.403 2.403 . 0 0 "[ ]" 3 383 1 84 LYS H 1 84 LYS QG . . 5.050 3.916 3.916 3.916 . 0 0 "[ ]" 3 384 1 84 LYS H 1 84 LYS HD3 . . 4.830 4.742 4.742 4.742 . 0 0 "[ ]" 3 385 1 84 LYS H 1 85 ASP H . . 3.090 2.866 2.866 2.866 . 0 0 "[ ]" 3 386 1 84 LYS H 1 86 LEU H . . 4.950 4.176 4.176 4.176 . 0 0 "[ ]" 3 387 1 84 LYS HA 1 87 VAL H . . 3.680 3.672 3.672 3.672 . 0 0 "[ ]" 3 388 1 84 LYS HB2 1 85 ASP H . . 3.960 3.888 3.888 3.888 . 0 0 "[ ]" 3 389 1 84 LYS HB3 1 85 ASP H . . 2.980 2.489 2.489 2.489 . 0 0 "[ ]" 3 390 1 84 LYS QG 1 85 ASP H . . 6.340 3.292 3.292 3.292 . 0 0 "[ ]" 3 391 1 84 LYS QG 1 88 GLU H . . 8.100 4.170 4.170 4.170 . 0 0 "[ ]" 3 392 1 84 LYS HD3 1 85 ASP H . . 5.600 4.752 4.752 4.752 . 0 0 "[ ]" 3 393 1 85 ASP H 1 85 ASP HB2 . . 2.910 2.536 2.536 2.536 . 0 0 "[ ]" 3 394 1 85 ASP H 1 85 ASP HB3 . . 3.680 3.549 3.549 3.549 . 0 0 "[ ]" 3 395 1 85 ASP H 1 86 LEU H . . 2.940 2.799 2.799 2.799 . 0 0 "[ ]" 3 396 1 85 ASP H 1 86 LEU QB . . 5.480 4.431 4.431 4.431 . 0 0 "[ ]" 3 397 1 85 ASP H 1 86 LEU QD . . 9.910 5.569 5.569 5.569 . 0 0 "[ ]" 3 398 1 85 ASP HA 1 88 GLU H . . 4.280 3.367 3.367 3.367 . 0 0 "[ ]" 3 399 1 85 ASP HA 1 89 SER H . . 6.000 4.439 4.439 4.439 . 0 0 "[ ]" 3 400 1 85 ASP HB2 1 86 LEU H . . 3.480 2.387 2.387 2.387 . 0 0 "[ ]" 3 401 1 85 ASP HB3 1 86 LEU H . . 3.800 3.548 3.548 3.548 . 0 0 "[ ]" 3 402 1 86 LEU H 1 86 LEU QB . . 3.920 2.165 2.165 2.165 . 0 0 "[ ]" 3 403 1 86 LEU H 1 86 LEU HG . . 4.610 4.370 4.370 4.370 . 0 0 "[ ]" 3 404 1 86 LEU H 1 87 VAL H . . 3.210 2.981 2.981 2.981 . 0 0 "[ ]" 3 405 1 86 LEU H 1 87 VAL HB . . 5.700 4.955 4.955 4.955 . 0 0 "[ ]" 3 406 1 86 LEU H 1 87 VAL MG2 . . 8.290 4.518 4.518 4.518 . 0 0 "[ ]" 3 407 1 86 LEU HA 1 88 GLU H . . 6.060 4.412 4.412 4.412 . 0 0 "[ ]" 3 408 1 86 LEU QB 1 87 VAL H . . 4.470 2.373 2.373 2.373 . 0 0 "[ ]" 3 409 1 86 LEU QB 1 89 SER H . . 8.100 4.804 4.804 4.804 . 0 0 "[ ]" 3 410 1 86 LEU HG 1 87 VAL H . . 5.780 4.335 4.335 4.335 . 0 0 "[ ]" 3 411 1 86 LEU MD1 1 93 ALA H . . 8.340 4.519 4.519 4.519 . 0 0 "[ ]" 3 412 1 86 LEU MD1 1 94 LEU H . . 6.800 5.481 5.481 5.481 . 0 0 "[ ]" 3 413 1 86 LEU MD2 1 93 ALA H . . 8.340 4.613 4.613 4.613 . 0 0 "[ ]" 3 414 1 86 LEU MD2 1 94 LEU H . . 6.800 4.964 4.964 4.964 . 0 0 "[ ]" 3 415 1 86 LEU QD 1 87 VAL H . . 7.760 2.876 2.876 2.876 . 0 0 "[ ]" 3 416 1 86 LEU QD 1 93 ALA H . . 7.870 4.066 4.066 4.066 . 0 0 "[ ]" 3 417 1 86 LEU QD 1 94 LEU H . . 6.510 4.614 4.614 4.614 . 0 0 "[ ]" 3 418 1 87 VAL H 1 87 VAL HB . . 2.750 2.304 2.304 2.304 . 0 0 "[ ]" 3 419 1 87 VAL H 1 87 VAL MG2 . . 4.250 2.157 2.157 2.157 . 0 0 "[ ]" 3 420 1 87 VAL H 1 88 GLU H . . 3.290 2.695 2.695 2.695 . 0 0 "[ ]" 3 421 1 87 VAL H 1 88 GLU HB2 . . 5.220 4.757 4.757 4.757 . 0 0 "[ ]" 3 422 1 87 VAL H 1 89 SER H . . 5.910 3.912 3.912 3.912 . 0 0 "[ ]" 3 423 1 87 VAL H 1 92 ALA MB . . 7.020 4.470 4.470 4.470 . 0 0 "[ ]" 3 424 1 87 VAL HA 1 89 SER H . . 5.180 3.759 3.759 3.759 . 0 0 "[ ]" 3 425 1 87 VAL HA 1 90 ALA H . . 4.650 4.203 4.203 4.203 . 0 0 "[ ]" 3 426 1 87 VAL HB 1 88 GLU H . . 3.020 2.783 2.783 2.783 . 0 0 "[ ]" 3 427 1 87 VAL MG1 1 88 GLU H . . 8.340 3.407 3.407 3.407 . 0 0 "[ ]" 3 428 1 87 VAL MG1 1 89 SER H . . 8.340 4.586 4.586 4.586 . 0 0 "[ ]" 3 429 1 87 VAL MG2 1 88 GLU H . . 8.340 4.018 4.018 4.018 . 0 0 "[ ]" 3 430 1 88 GLU H 1 88 GLU HB2 . . 3.230 2.276 2.276 2.276 . 0 0 "[ ]" 3 431 1 88 GLU H 1 88 GLU HB3 . . 3.870 3.519 3.519 3.519 . 0 0 "[ ]" 3 432 1 88 GLU H 1 88 GLU HG2 . . 4.240 3.675 3.675 3.675 . 0 0 "[ ]" 3 433 1 88 GLU H 1 88 GLU HG3 . . 4.240 2.578 2.578 2.578 . 0 0 "[ ]" 3 434 1 88 GLU H 1 88 GLU QG . . 3.820 2.530 2.530 2.530 . 0 0 "[ ]" 3 435 1 88 GLU H 1 89 SER H . . 2.940 2.540 2.540 2.540 . 0 0 "[ ]" 3 436 1 88 GLU H 1 90 ALA H . . 5.040 4.421 4.421 4.421 . 0 0 "[ ]" 3 437 1 88 GLU HA 1 90 ALA H . . 4.450 3.521 3.521 3.521 . 0 0 "[ ]" 3 438 1 88 GLU HB2 1 89 SER H . . 3.540 3.421 3.421 3.421 . 0 0 "[ ]" 3 439 1 88 GLU HB3 1 89 SER H . . 4.060 4.102 4.102 4.102 0.042 1 0 "[ ]" 3 440 1 88 GLU QG 1 89 SER H . . 7.620 4.441 4.441 4.441 . 0 0 "[ ]" 3 441 1 89 SER H 1 89 SER HG . . 5.510 3.619 3.619 3.619 . 0 0 "[ ]" 3 442 1 89 SER H 1 90 ALA H . . 2.940 2.657 2.657 2.657 . 0 0 "[ ]" 3 443 1 89 SER H 1 90 ALA MB . . 6.800 4.137 4.137 4.137 . 0 0 "[ ]" 3 444 1 89 SER H 1 92 ALA MB . . 6.740 3.902 3.902 3.902 . 0 0 "[ ]" 3 445 1 90 ALA H 1 90 ALA HA . . 2.750 2.751 2.751 2.751 0.001 1 0 "[ ]" 3 446 1 90 ALA H 1 91 PRO HA . . 6.650 4.478 4.478 4.478 . 0 0 "[ ]" 3 447 1 90 ALA HA 1 91 PRO HA . . 3.140 2.025 2.025 2.025 . 0 0 "[ ]" 3 448 1 90 ALA HA 1 92 ALA H . . 3.050 2.907 2.907 2.907 . 0 0 "[ ]" 3 449 1 91 PRO HA 1 92 ALA H . . 2.680 2.312 2.312 2.312 . 0 0 "[ ]" 3 450 1 91 PRO HB2 1 92 ALA H . . 3.870 3.040 3.040 3.040 . 0 0 "[ ]" 3 451 1 91 PRO HB3 1 92 ALA H . . 4.040 3.574 3.574 3.574 . 0 0 "[ ]" 3 452 1 92 ALA H 1 93 ALA H . . 5.910 4.264 4.264 4.264 . 0 0 "[ ]" 3 453 1 92 ALA HA 1 93 ALA H . . 2.570 2.222 2.222 2.222 . 0 0 "[ ]" 3 454 1 93 ALA H 1 94 LEU MD2 . . 8.340 6.265 6.265 6.265 . 0 0 "[ ]" 3 455 1 93 ALA HA 1 94 LEU H . . 2.910 2.191 2.191 2.191 . 0 0 "[ ]" 3 456 1 93 ALA HA 1 95 LYS H . . 4.080 3.985 3.985 3.985 . 0 0 "[ ]" 3 457 1 93 ALA MB 1 95 LYS H . . 6.600 3.725 3.725 3.725 . 0 0 "[ ]" 3 458 1 94 LEU H 1 94 LEU HB2 . . 3.210 2.122 2.122 2.122 . 0 0 "[ ]" 3 459 1 94 LEU H 1 94 LEU HB3 . . 3.960 3.386 3.386 3.386 . 0 0 "[ ]" 3 460 1 94 LEU H 1 94 LEU HG . . 4.690 3.325 3.325 3.325 . 0 0 "[ ]" 3 461 1 94 LEU H 1 95 LYS H . . 2.830 2.383 2.383 2.383 . 0 0 "[ ]" 3 462 1 94 LEU HB2 1 95 LYS H . . 3.800 2.844 2.844 2.844 . 0 0 "[ ]" 3 463 1 94 LEU HB3 1 95 LYS H . . 3.700 3.171 3.171 3.171 . 0 0 "[ ]" 3 464 1 94 LEU HG 1 95 LYS H . . 6.740 4.891 4.891 4.891 . 0 0 "[ ]" 3 465 1 94 LEU MD1 1 95 LYS H . . 5.830 4.626 4.626 4.626 . 0 0 "[ ]" 3 466 1 94 LEU MD2 1 95 LYS H . . 6.510 4.663 4.663 4.663 . 0 0 "[ ]" 3 467 1 95 LYS H 1 95 LYS HB2 . . 3.610 3.019 3.019 3.019 . 0 0 "[ ]" 3 468 1 95 LYS H 1 95 LYS HB3 . . 4.000 3.922 3.922 3.922 . 0 0 "[ ]" 3 469 1 95 LYS H 1 96 GLU H . . 6.230 4.405 4.405 4.405 . 0 0 "[ ]" 3 470 1 95 LYS HA 1 96 GLU H . . 2.570 2.386 2.386 2.386 . 0 0 "[ ]" 3 471 1 95 LYS HB2 1 96 GLU H . . 3.440 3.550 3.550 3.550 0.110 1 0 "[ ]" 3 472 1 95 LYS HB3 1 96 GLU H . . 3.800 2.794 2.794 2.794 . 0 0 "[ ]" 3 473 1 96 GLU H 1 96 GLU HB2 . . 2.980 2.767 2.767 2.767 . 0 0 "[ ]" 3 474 1 96 GLU H 1 96 GLU HB3 . . 4.040 3.833 3.833 3.833 . 0 0 "[ ]" 3 475 1 96 GLU H 1 96 GLU HG2 . . 3.960 4.020 4.020 4.020 0.060 1 0 "[ ]" 3 476 1 96 GLU H 1 96 GLU HG3 . . 3.330 3.158 3.158 3.158 . 0 0 "[ ]" 3 477 1 96 GLU H 1 98 VAL MG1 . . 6.980 2.628 2.628 2.628 . 0 0 "[ ]" 3 478 1 96 GLU HA 1 97 GLY H . . 2.570 2.211 2.211 2.211 . 0 0 "[ ]" 3 479 1 96 GLU HA 1 98 VAL H . . 5.120 4.081 4.081 4.081 . 0 0 "[ ]" 3 480 1 96 GLU HB2 1 97 GLY H . . 4.610 4.319 4.319 4.319 . 0 0 "[ ]" 3 481 1 96 GLU HB3 1 97 GLY H . . 3.400 3.433 3.433 3.433 0.033 1 0 "[ ]" 3 482 1 96 GLU HG2 1 97 GLY H . . 6.740 4.399 4.399 4.399 . 0 0 "[ ]" 3 483 1 97 GLY H 1 97 GLY HA2 . . 2.910 2.249 2.249 2.249 . 0 0 "[ ]" 3 484 1 97 GLY H 1 98 VAL H . . 3.400 2.744 2.744 2.744 . 0 0 "[ ]" 3 485 1 97 GLY H 1 98 VAL MG2 . . 8.340 3.633 3.633 3.633 . 0 0 "[ ]" 3 486 1 97 GLY HA2 1 98 VAL H . . 3.440 2.754 2.754 2.754 . 0 0 "[ ]" 3 487 1 98 VAL H 1 98 VAL MG1 . . 4.330 2.889 2.889 2.889 . 0 0 "[ ]" 3 488 1 98 VAL H 1 98 VAL MG2 . . 3.960 2.066 2.066 2.066 . 0 0 "[ ]" 3 489 1 98 VAL H 1 99 SER H . . 5.300 4.516 4.516 4.516 . 0 0 "[ ]" 3 490 1 98 VAL HA 1 99 SER H . . 2.880 2.418 2.418 2.418 . 0 0 "[ ]" 3 491 1 98 VAL HB 1 99 SER H . . 2.600 2.599 2.599 2.599 . 0 0 "[ ]" 3 492 1 98 VAL MG1 1 99 SER H . . 5.610 3.687 3.687 3.687 . 0 0 "[ ]" 3 493 1 98 VAL MG2 1 99 SER H . . 5.930 3.682 3.682 3.682 . 0 0 "[ ]" 3 494 1 98 VAL MG2 1 102 ASP H . . 8.340 4.783 4.783 4.783 . 0 0 "[ ]" 3 495 1 99 SER H 1 99 SER HB2 . . 3.560 3.549 3.549 3.549 . 0 0 "[ ]" 3 496 1 99 SER H 1 99 SER HB3 . . 3.050 2.510 2.510 2.510 . 0 0 "[ ]" 3 497 1 99 SER H 1 99 SER HG . . 3.290 2.197 2.197 2.197 . 0 0 "[ ]" 3 498 1 99 SER H 1 100 LYS H . . 5.390 4.658 4.658 4.658 . 0 0 "[ ]" 3 499 1 99 SER H 1 102 ASP HB2 . . 3.680 3.215 3.215 3.215 . 0 0 "[ ]" 3 500 1 99 SER H 1 102 ASP HB3 . . 4.530 4.572 4.572 4.572 0.042 1 0 "[ ]" 3 501 1 99 SER H 1 103 ALA H . . 5.830 4.887 4.887 4.887 . 0 0 "[ ]" 3 502 1 99 SER HA 1 100 LYS H . . 2.870 2.334 2.334 2.334 . 0 0 "[ ]" 3 503 1 99 SER HA 1 101 ASP H . . 4.570 4.291 4.291 4.291 . 0 0 "[ ]" 3 504 1 99 SER HB2 1 100 LYS H . . 3.330 2.914 2.914 2.914 . 0 0 "[ ]" 3 505 1 99 SER HB2 1 101 ASP H . . 3.680 2.973 2.973 2.973 . 0 0 "[ ]" 3 506 1 99 SER HB3 1 100 LYS H . . 4.080 4.049 4.049 4.049 . 0 0 "[ ]" 3 507 1 99 SER HB3 1 101 ASP H . . 5.700 4.649 4.649 4.649 . 0 0 "[ ]" 3 508 1 99 SER HG 1 102 ASP H . . 5.220 3.185 3.185 3.185 . 0 0 "[ ]" 3 509 1 100 LYS H 1 100 LYS HD2 . . 6.740 4.814 4.814 4.814 . 0 0 "[ ]" 3 510 1 100 LYS H 1 101 ASP H . . 3.330 2.780 2.780 2.780 . 0 0 "[ ]" 3 511 1 100 LYS HA 1 103 ALA H . . 4.320 3.224 3.224 3.224 . 0 0 "[ ]" 3 512 1 100 LYS HA 1 104 GLU H . . 5.700 3.940 3.940 3.940 . 0 0 "[ ]" 3 513 1 100 LYS QB 1 101 ASP H . . 4.250 2.633 2.633 2.633 . 0 0 "[ ]" 3 514 1 100 LYS QB 1 102 ASP H . . 7.500 4.824 4.824 4.824 . 0 0 "[ ]" 3 515 1 100 LYS HG2 1 101 ASP H . . 6.740 4.464 4.464 4.464 . 0 0 "[ ]" 3 516 1 100 LYS HG3 1 101 ASP H . . 6.740 5.096 5.096 5.096 . 0 0 "[ ]" 3 517 1 100 LYS HD2 1 101 ASP H . . 6.740 4.139 4.139 4.139 . 0 0 "[ ]" 3 518 1 101 ASP H 1 101 ASP HB2 . . 2.870 2.489 2.489 2.489 . 0 0 "[ ]" 3 519 1 101 ASP H 1 101 ASP HB3 . . 3.510 3.550 3.550 3.550 0.040 1 0 "[ ]" 3 520 1 101 ASP H 1 102 ASP H . . 2.870 2.805 2.805 2.805 . 0 0 "[ ]" 3 521 1 101 ASP H 1 102 ASP HB2 . . 6.740 4.806 4.806 4.806 . 0 0 "[ ]" 3 522 1 101 ASP H 1 103 ALA H . . 5.910 4.189 4.189 4.189 . 0 0 "[ ]" 3 523 1 101 ASP H 1 103 ALA MB . . 8.340 4.738 4.738 4.738 . 0 0 "[ ]" 3 524 1 101 ASP H 1 104 GLU QB . . 8.100 4.981 4.981 4.981 . 0 0 "[ ]" 3 525 1 101 ASP HA 1 104 GLU H . . 3.960 3.664 3.664 3.664 . 0 0 "[ ]" 3 526 1 101 ASP HB2 1 102 ASP H . . 3.180 2.498 2.498 2.498 . 0 0 "[ ]" 3 527 1 101 ASP HB3 1 102 ASP H . . 4.000 3.568 3.568 3.568 . 0 0 "[ ]" 3 528 1 102 ASP H 1 102 ASP HA . . 2.910 2.778 2.778 2.778 . 0 0 "[ ]" 3 529 1 102 ASP H 1 102 ASP HB2 . . 3.050 2.269 2.269 2.269 . 0 0 "[ ]" 3 530 1 102 ASP H 1 102 ASP HB3 . . 3.910 3.507 3.507 3.507 . 0 0 "[ ]" 3 531 1 102 ASP H 1 103 ALA H . . 3.050 2.602 2.602 2.602 . 0 0 "[ ]" 3 532 1 102 ASP H 1 103 ALA MB . . 8.130 4.197 4.197 4.197 . 0 0 "[ ]" 3 533 1 102 ASP HA 1 105 ALA H . . 3.360 3.325 3.325 3.325 . 0 0 "[ ]" 3 534 1 102 ASP HB2 1 103 ALA H . . 3.720 2.585 2.585 2.585 . 0 0 "[ ]" 3 535 1 102 ASP HB3 1 103 ALA H . . 3.800 3.432 3.432 3.432 . 0 0 "[ ]" 3 536 1 103 ALA H 1 104 GLU H . . 3.290 2.765 2.765 2.765 . 0 0 "[ ]" 3 537 1 103 ALA H 1 104 GLU QB . . 8.100 4.504 4.504 4.504 . 0 0 "[ ]" 3 538 1 103 ALA H 1 105 ALA MB . . 8.340 4.545 4.545 4.545 . 0 0 "[ ]" 3 539 1 103 ALA H 1 119 VAL QG . . 7.610 5.693 5.693 5.693 . 0 0 "[ ]" 3 540 1 103 ALA HA 1 106 LEU H . . 4.650 3.875 3.875 3.875 . 0 0 "[ ]" 3 541 1 103 ALA HA 1 107 LYS H . . 6.000 4.271 4.271 4.271 . 0 0 "[ ]" 3 542 1 103 ALA MB 1 105 ALA H . . 8.340 4.263 4.263 4.263 . 0 0 "[ ]" 3 543 1 103 ALA MB 1 107 LYS H . . 8.290 4.721 4.721 4.721 . 0 0 "[ ]" 3 544 1 103 ALA MB 1 120 LYS H . . 8.340 5.490 5.490 5.490 . 0 0 "[ ]" 3 545 1 104 GLU H 1 104 GLU HG2 . . 4.490 4.456 4.456 4.456 . 0 0 "[ ]" 3 546 1 104 GLU H 1 104 GLU HG3 . . 4.490 4.288 4.288 4.288 . 0 0 "[ ]" 3 547 1 104 GLU H 1 104 GLU QG . . 4.280 3.890 3.890 3.890 . 0 0 "[ ]" 3 548 1 104 GLU H 1 105 ALA H . . 2.910 2.524 2.524 2.524 . 0 0 "[ ]" 3 549 1 104 GLU H 1 105 ALA MB . . 6.600 4.128 4.128 4.128 . 0 0 "[ ]" 3 550 1 104 GLU H 1 106 LEU H . . 5.260 4.566 4.566 4.566 . 0 0 "[ ]" 3 551 1 104 GLU H 1 119 VAL QG . . 9.720 4.936 4.936 4.936 . 0 0 "[ ]" 3 552 1 104 GLU HA 1 107 LYS H . . 3.600 3.244 3.244 3.244 . 0 0 "[ ]" 3 553 1 104 GLU HA 1 108 LYS H . . 6.000 3.732 3.732 3.732 . 0 0 "[ ]" 3 554 1 104 GLU QB 1 105 ALA H . . 4.430 3.039 3.039 3.039 . 0 0 "[ ]" 3 555 1 104 GLU QG 1 105 ALA H . . 7.620 4.320 4.320 4.320 . 0 0 "[ ]" 3 556 1 105 ALA H 1 108 LYS QB . . 6.980 5.584 5.584 5.584 . 0 0 "[ ]" 3 557 1 105 ALA HA 1 108 LYS H . . 3.680 3.798 3.798 3.798 0.118 1 0 "[ ]" 3 558 1 105 ALA MB 1 106 LEU H . . 4.170 2.392 2.392 2.392 . 0 0 "[ ]" 3 559 1 106 LEU H 1 106 LEU HA . . 3.010 2.831 2.831 2.831 . 0 0 "[ ]" 3 560 1 106 LEU H 1 106 LEU HB2 . . 2.980 2.311 2.311 2.311 . 0 0 "[ ]" 3 561 1 106 LEU H 1 106 LEU HB3 . . 2.680 2.609 2.609 2.609 . 0 0 "[ ]" 3 562 1 106 LEU H 1 107 LYS H . . 3.020 2.545 2.545 2.545 . 0 0 "[ ]" 3 563 1 106 LEU H 1 108 LYS H . . 5.910 4.364 4.364 4.364 . 0 0 "[ ]" 3 564 1 106 LEU H 1 110 LEU MD2 . . 8.080 5.423 5.423 5.423 . 0 0 "[ ]" 3 565 1 106 LEU HA 1 110 LEU H . . 4.280 4.195 4.195 4.195 . 0 0 "[ ]" 3 566 1 106 LEU HB2 1 107 LYS H . . 5.260 3.832 3.832 3.832 . 0 0 "[ ]" 3 567 1 106 LEU HB3 1 107 LYS H . . 2.800 2.761 2.761 2.761 . 0 0 "[ ]" 3 568 1 106 LEU HG 1 107 LYS H . . 4.720 4.334 4.334 4.334 . 0 0 "[ ]" 3 569 1 106 LEU MD1 1 107 LYS H . . 5.830 4.785 4.785 4.785 . 0 0 "[ ]" 3 570 1 106 LEU MD2 1 107 LYS H . . 6.470 4.541 4.541 4.541 . 0 0 "[ ]" 3 571 1 107 LYS H 1 108 LYS H . . 3.290 2.898 2.898 2.898 . 0 0 "[ ]" 3 572 1 107 LYS H 1 110 LEU MD2 . . 8.340 4.638 4.638 4.638 . 0 0 "[ ]" 3 573 1 107 LYS HA 1 110 LEU H . . 5.180 3.353 3.353 3.353 . 0 0 "[ ]" 3 574 1 107 LYS HA 1 111 GLU H . . 5.470 4.315 4.315 4.315 . 0 0 "[ ]" 3 575 1 107 LYS QB 1 108 LYS H . . 4.550 2.444 2.444 2.444 . 0 0 "[ ]" 3 576 1 107 LYS HG2 1 111 GLU H . . 6.500 4.353 4.353 4.353 . 0 0 "[ ]" 3 577 1 107 LYS HG3 1 111 GLU H . . 6.500 5.981 5.981 5.981 . 0 0 "[ ]" 3 578 1 107 LYS QG 1 108 LYS H . . 6.180 3.980 3.980 3.980 . 0 0 "[ ]" 3 579 1 107 LYS QG 1 111 GLU H . . 5.680 4.253 4.253 4.253 . 0 0 "[ ]" 3 580 1 108 LYS H 1 108 LYS HG3 . . 3.330 3.044 3.044 3.044 . 0 0 "[ ]" 3 581 1 108 LYS H 1 109 ALA H . . 2.940 2.645 2.645 2.645 . 0 0 "[ ]" 3 582 1 108 LYS HA 1 111 GLU H . . 3.870 3.228 3.228 3.228 . 0 0 "[ ]" 3 583 1 108 LYS QB 1 109 ALA H . . 4.370 3.627 3.627 3.627 . 0 0 "[ ]" 3 584 1 109 ALA H 1 109 ALA HA . . 3.000 2.808 2.808 2.808 . 0 0 "[ ]" 3 585 1 109 ALA H 1 110 LEU H . . 3.180 2.634 2.634 2.634 . 0 0 "[ ]" 3 586 1 109 ALA H 1 110 LEU HG . . 6.740 5.867 5.867 5.867 . 0 0 "[ ]" 3 587 1 109 ALA H 1 111 GLU H . . 5.910 4.052 4.052 4.052 . 0 0 "[ ]" 3 588 1 109 ALA HA 1 112 GLU H . . 4.120 3.393 3.393 3.393 . 0 0 "[ ]" 3 589 1 110 LEU H 1 110 LEU HB2 . . 3.050 2.168 2.168 2.168 . 0 0 "[ ]" 3 590 1 110 LEU H 1 110 LEU HB3 . . 3.440 3.459 3.459 3.459 0.019 1 0 "[ ]" 3 591 1 110 LEU H 1 110 LEU HG . . 3.480 3.601 3.601 3.601 0.121 1 0 "[ ]" 3 592 1 110 LEU H 1 110 LEU MD1 . . 5.880 4.091 4.091 4.091 . 0 0 "[ ]" 3 593 1 110 LEU H 1 110 LEU MD2 . . 5.570 2.129 2.129 2.129 . 0 0 "[ ]" 3 594 1 110 LEU H 1 111 GLU H . . 3.180 2.670 2.670 2.670 . 0 0 "[ ]" 3 595 1 110 LEU HA 1 113 ALA H . . 4.080 3.423 3.423 3.423 . 0 0 "[ ]" 3 596 1 110 LEU HB2 1 111 GLU H . . 3.090 2.836 2.836 2.836 . 0 0 "[ ]" 3 597 1 110 LEU HB2 1 115 ALA H . . 6.740 4.933 4.933 4.933 . 0 0 "[ ]" 3 598 1 110 LEU HB3 1 111 GLU H . . 4.080 3.438 3.438 3.438 . 0 0 "[ ]" 3 599 1 110 LEU HB3 1 115 ALA H . . 6.060 3.549 3.549 3.549 . 0 0 "[ ]" 3 600 1 110 LEU HB3 1 117 VAL H . . 6.740 4.787 4.787 4.787 . 0 0 "[ ]" 3 601 1 110 LEU HG 1 111 GLU H . . 6.740 5.068 5.068 5.068 . 0 0 "[ ]" 3 602 1 110 LEU MD1 1 111 GLU H . . 6.600 4.874 4.874 4.874 . 0 0 "[ ]" 3 603 1 110 LEU MD2 1 111 GLU H . . 8.340 4.199 4.199 4.199 . 0 0 "[ ]" 3 604 1 110 LEU MD2 1 118 GLU H . . 8.340 7.031 7.031 7.031 . 0 0 "[ ]" 3 605 1 111 GLU H 1 111 GLU HB2 . . 2.940 2.370 2.370 2.370 . 0 0 "[ ]" 3 606 1 111 GLU H 1 111 GLU HB3 . . 4.120 3.536 3.536 3.536 . 0 0 "[ ]" 3 607 1 111 GLU H 1 111 GLU HG2 . . 4.200 3.346 3.346 3.346 . 0 0 "[ ]" 3 608 1 111 GLU H 1 111 GLU HG3 . . 3.360 2.330 2.330 2.330 . 0 0 "[ ]" 3 609 1 111 GLU H 1 112 GLU H . . 3.130 2.703 2.703 2.703 . 0 0 "[ ]" 3 610 1 111 GLU H 1 113 ALA H . . 5.300 4.069 4.069 4.069 . 0 0 "[ ]" 3 611 1 111 GLU H 1 115 ALA MB . . 8.340 4.747 4.747 4.747 . 0 0 "[ ]" 3 612 1 111 GLU HA 1 113 ALA H . . 4.570 4.073 4.073 4.073 . 0 0 "[ ]" 3 613 1 111 GLU HA 1 114 GLY H . . 3.910 2.960 2.960 2.960 . 0 0 "[ ]" 3 614 1 111 GLU HA 1 115 ALA H . . 3.220 2.658 2.658 2.658 . 0 0 "[ ]" 3 615 1 111 GLU HB2 1 112 GLU H . . 3.510 2.682 2.682 2.682 . 0 0 "[ ]" 3 616 1 111 GLU HB3 1 112 GLU H . . 5.390 3.601 3.601 3.601 . 0 0 "[ ]" 3 617 1 111 GLU HG2 1 115 ALA H . . 6.740 4.384 4.384 4.384 . 0 0 "[ ]" 3 618 1 111 GLU HG3 1 117 VAL H . . 6.740 5.207 5.207 5.207 . 0 0 "[ ]" 3 619 1 112 GLU H 1 112 GLU HB2 . . 2.680 2.318 2.318 2.318 . 0 0 "[ ]" 3 620 1 112 GLU H 1 112 GLU HB3 . . 4.000 3.523 3.523 3.523 . 0 0 "[ ]" 3 621 1 112 GLU H 1 112 GLU HG2 . . 4.450 2.431 2.431 2.431 . 0 0 "[ ]" 3 622 1 112 GLU H 1 112 GLU HG3 . . 4.450 3.426 3.426 3.426 . 0 0 "[ ]" 3 623 1 112 GLU H 1 112 GLU QG . . 4.200 2.383 2.383 2.383 . 0 0 "[ ]" 3 624 1 112 GLU H 1 113 ALA H . . 2.940 2.747 2.747 2.747 . 0 0 "[ ]" 3 625 1 112 GLU H 1 113 ALA MB . . 5.930 4.359 4.359 4.359 . 0 0 "[ ]" 3 626 1 112 GLU H 1 114 GLY H . . 5.000 3.955 3.955 3.955 . 0 0 "[ ]" 3 627 1 112 GLU HA 1 114 GLY H . . 5.040 4.325 4.325 4.325 . 0 0 "[ ]" 3 628 1 112 GLU HB2 1 113 ALA H . . 3.720 2.904 2.904 2.904 . 0 0 "[ ]" 3 629 1 112 GLU HB3 1 113 ALA H . . 3.870 3.681 3.681 3.681 . 0 0 "[ ]" 3 630 1 113 ALA H 1 113 ALA HA . . 2.940 2.880 2.880 2.880 . 0 0 "[ ]" 3 631 1 113 ALA H 1 114 GLY H . . 3.020 2.316 2.316 2.316 . 0 0 "[ ]" 3 632 1 113 ALA H 1 115 ALA H . . 4.200 4.234 4.234 4.234 0.034 1 0 "[ ]" 3 633 1 113 ALA H 1 115 ALA MB . . 8.340 4.618 4.618 4.618 . 0 0 "[ ]" 3 634 1 113 ALA MB 1 115 ALA H . . 5.610 3.931 3.931 3.931 . 0 0 "[ ]" 3 635 1 114 GLY H 1 114 GLY HA2 . . 2.870 2.347 2.347 2.347 . 0 0 "[ ]" 3 636 1 114 GLY H 1 115 ALA H . . 2.910 2.398 2.398 2.398 . 0 0 "[ ]" 3 637 1 114 GLY H 1 115 ALA MB . . 8.340 3.768 3.768 3.768 . 0 0 "[ ]" 3 638 1 115 ALA H 1 116 GLU H . . 5.870 4.458 4.458 4.458 . 0 0 "[ ]" 3 639 1 115 ALA H 1 117 VAL QG . . 8.360 4.229 4.229 4.229 . 0 0 "[ ]" 3 640 1 115 ALA HA 1 116 GLU H . . 2.570 2.433 2.433 2.433 . 0 0 "[ ]" 3 641 1 115 ALA MB 1 116 GLU H . . 4.290 2.539 2.539 2.539 . 0 0 "[ ]" 3 642 1 115 ALA MB 1 117 VAL H . . 8.340 4.856 4.856 4.856 . 0 0 "[ ]" 3 643 1 116 GLU H 1 116 GLU HB2 . . 3.180 2.648 2.648 2.648 . 0 0 "[ ]" 3 644 1 116 GLU H 1 116 GLU HB3 . . 3.330 2.596 2.596 2.596 . 0 0 "[ ]" 3 645 1 116 GLU H 1 117 VAL H . . 4.410 4.434 4.434 4.434 0.024 1 0 "[ ]" 3 646 1 116 GLU HA 1 117 VAL H . . 2.570 2.204 2.204 2.204 . 0 0 "[ ]" 3 647 1 116 GLU HG2 1 117 VAL H . . 5.080 4.633 4.633 4.633 . 0 0 "[ ]" 3 648 1 116 GLU HG3 1 117 VAL H . . 5.080 3.028 3.028 3.028 . 0 0 "[ ]" 3 649 1 116 GLU QG 1 117 VAL H . . 4.920 2.990 2.990 2.990 . 0 0 "[ ]" 3 650 1 117 VAL H 1 117 VAL HB . . 2.980 2.562 2.562 2.562 . 0 0 "[ ]" 3 651 1 117 VAL H 1 118 GLU H . . 5.870 4.511 4.511 4.511 . 0 0 "[ ]" 3 652 1 117 VAL HA 1 118 GLU H . . 2.570 2.471 2.471 2.471 . 0 0 "[ ]" 3 653 1 117 VAL QG 1 118 GLU H . . 6.050 1.898 1.898 1.898 . 0 0 "[ ]" 3 654 1 118 GLU H 1 118 GLU HB2 . . 3.560 3.337 3.337 3.337 . 0 0 "[ ]" 3 655 1 118 GLU H 1 118 GLU HB3 . . 3.290 2.622 2.622 2.622 . 0 0 "[ ]" 3 656 1 118 GLU H 1 119 VAL H . . 5.780 4.305 4.305 4.305 . 0 0 "[ ]" 3 657 1 118 GLU HA 1 119 VAL H . . 2.570 2.227 2.227 2.227 . 0 0 "[ ]" 3 658 1 118 GLU HB2 1 119 VAL H . . 4.110 4.164 4.164 4.164 0.054 1 0 "[ ]" 3 659 1 118 GLU HG2 1 119 VAL H . . 6.410 3.379 3.379 3.379 . 0 0 "[ ]" 3 660 1 118 GLU HG3 1 119 VAL H . . 6.410 2.736 2.736 2.736 . 0 0 "[ ]" 3 661 1 118 GLU QG 1 119 VAL H . . 6.000 2.625 2.625 2.625 . 0 0 "[ ]" 3 662 1 119 VAL H 1 119 VAL HB . . 2.850 2.556 2.556 2.556 . 0 0 "[ ]" 3 663 1 119 VAL HA 1 120 LYS H . . 2.640 2.185 2.185 2.185 . 0 0 "[ ]" 3 664 1 119 VAL HB 1 120 LYS H . . 4.280 4.326 4.326 4.326 0.046 1 0 "[ ]" 3 665 1 119 VAL QG 1 120 LYS H . . 7.470 2.856 2.856 2.856 . 0 0 "[ ]" 3 666 1 120 LYS H 1 120 LYS HB2 . . 4.040 3.926 3.926 3.926 . 0 0 "[ ]" 3 667 1 120 LYS H 1 120 LYS HB3 . . 4.040 3.257 3.257 3.257 . 0 0 "[ ]" 3 668 1 120 LYS H 1 120 LYS QB . . 3.840 3.108 3.108 3.108 . 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 88 _Distance_constraint_stats_list.Viol_count 14 _Distance_constraint_stats_list.Viol_total 0.903 _Distance_constraint_stats_list.Viol_max 0.100 _Distance_constraint_stats_list.Viol_rms 0.0253 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0103 _Distance_constraint_stats_list.Viol_average_violations_only 0.0645 _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 0.160 0.088 1 0 "[ ]" 1 4 LYS 0.100 0.100 1 0 "[ ]" 1 5 ASP 0.000 0.000 . 0 "[ ]" 1 6 GLN 0.160 0.088 1 0 "[ ]" 1 7 ILE 0.154 0.095 1 0 "[ ]" 1 8 ILE 0.152 0.100 1 0 "[ ]" 1 9 GLU 0.000 0.000 . 0 "[ ]" 1 10 ALA 0.060 0.060 1 0 "[ ]" 1 11 VAL 0.095 0.095 1 0 "[ ]" 1 12 ALA 0.052 0.052 1 0 "[ ]" 1 15 SER 0.000 0.000 . 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 0.000 0.000 . 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 0.086 0.086 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 0.151 0.086 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 0.065 0.065 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 0.069 0.069 1 0 "[ ]" 2 19 VAL 0.000 0.000 . 0 "[ ]" 2 20 VAL 0.000 0.000 . 0 "[ ]" 2 21 GLU 0.024 0.024 1 0 "[ ]" 2 22 LEU 0.159 0.069 1 0 "[ ]" 2 23 ILE 0.103 0.063 1 0 "[ ]" 2 25 ALA 0.024 0.024 1 0 "[ ]" 2 26 MET 0.090 0.050 1 0 "[ ]" 2 27 GLU 0.103 0.063 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 3 THR OG1 1 6 GLN N . 2.600 3.400 3.488 3.488 3.488 0.088 1 0 "[ ]" 4 2 1 3 THR OG1 1 6 GLN H . . 2.500 2.572 2.572 2.572 0.072 1 0 "[ ]" 4 3 1 4 LYS O 1 7 ILE N . 2.700 3.400 2.803 2.803 2.803 . 0 0 "[ ]" 4 4 1 4 LYS C 1 7 ILE H . 2.300 3.500 2.621 2.621 2.621 . 0 0 "[ ]" 4 5 1 4 LYS O 1 7 ILE H . . 2.400 2.039 2.039 2.039 . 0 0 "[ ]" 4 6 1 4 LYS O 1 8 ILE N . 2.600 3.300 3.141 3.141 3.141 . 0 0 "[ ]" 4 7 1 4 LYS C 1 8 ILE H . 2.600 3.500 3.416 3.416 3.416 . 0 0 "[ ]" 4 8 1 4 LYS O 1 8 ILE H . . 2.300 2.400 2.400 2.400 0.100 1 0 "[ ]" 4 9 1 5 ASP O 1 9 GLU N . 2.600 3.300 3.154 3.154 3.154 . 0 0 "[ ]" 4 10 1 5 ASP C 1 9 GLU H . 2.600 3.500 3.413 3.413 3.413 . 0 0 "[ ]" 4 11 1 5 ASP O 1 9 GLU H . . 2.300 2.235 2.235 2.235 . 0 0 "[ ]" 4 12 1 7 ILE O 1 10 ALA N . 2.700 3.400 3.222 3.222 3.222 . 0 0 "[ ]" 4 13 1 7 ILE C 1 10 ALA H . 2.300 3.500 2.607 2.607 2.607 . 0 0 "[ ]" 4 14 1 7 ILE O 1 10 ALA H . . 2.400 2.460 2.460 2.460 0.060 1 0 "[ ]" 4 15 1 7 ILE O 1 11 VAL N . 2.600 3.300 3.264 3.264 3.264 . 0 0 "[ ]" 4 16 1 7 ILE C 1 11 VAL H . 2.600 3.500 3.428 3.428 3.428 . 0 0 "[ ]" 4 17 1 7 ILE O 1 11 VAL H . . 2.300 2.395 2.395 2.395 0.095 1 0 "[ ]" 4 18 1 8 ILE O 1 12 ALA N . 2.700 3.300 3.205 3.205 3.205 . 0 0 "[ ]" 4 19 1 8 ILE C 1 12 ALA H . 2.300 3.500 3.369 3.369 3.369 . 0 0 "[ ]" 4 20 1 8 ILE O 1 12 ALA H . . 2.300 2.352 2.352 2.352 0.052 1 0 "[ ]" 4 21 1 15 SER O 1 19 VAL N . 2.600 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 4 22 1 15 SER C 1 19 VAL H . 2.600 3.500 3.269 3.269 3.269 . 0 0 "[ ]" 4 23 1 15 SER O 1 19 VAL H . . 2.300 2.199 2.199 2.199 . 0 0 "[ ]" 4 24 1 16 VAL O 1 20 VAL N . 2.600 3.300 2.701 2.701 2.701 . 0 0 "[ ]" 4 25 1 16 VAL C 1 20 VAL H . 2.600 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 4 26 1 16 VAL O 1 20 VAL H . . 2.300 1.813 1.813 1.813 . 0 0 "[ ]" 4 27 1 17 MET O 1 21 GLU N . 2.600 3.300 2.884 2.884 2.884 . 0 0 "[ ]" 4 28 1 17 MET C 1 21 GLU H . 2.600 3.500 3.083 3.083 3.083 . 0 0 "[ ]" 4 29 1 17 MET O 1 21 GLU H . . 2.300 1.908 1.908 1.908 . 0 0 "[ ]" 4 30 1 18 ASP O 1 22 LEU N . 2.600 3.300 3.161 3.161 3.161 . 0 0 "[ ]" 4 31 1 18 ASP C 1 22 LEU H . 2.600 3.500 3.169 3.169 3.169 . 0 0 "[ ]" 4 32 1 18 ASP O 1 22 LEU H . . 2.300 2.211 2.211 2.211 . 0 0 "[ ]" 4 33 1 19 VAL O 1 23 ILE N . 2.600 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 4 34 1 19 VAL C 1 23 ILE H . 2.600 3.500 3.186 3.186 3.186 . 0 0 "[ ]" 4 35 1 19 VAL O 1 23 ILE H . . 2.300 2.002 2.002 2.002 . 0 0 "[ ]" 4 36 1 21 GLU O 1 25 ALA N . 2.600 3.300 2.711 2.711 2.711 . 0 0 "[ ]" 4 37 1 21 GLU C 1 25 ALA H . 2.600 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 4 38 1 21 GLU O 1 25 ALA H . . 2.300 1.851 1.851 1.851 . 0 0 "[ ]" 4 39 1 22 LEU O 1 26 MET N . 2.600 3.300 2.931 2.931 2.931 . 0 0 "[ ]" 4 40 1 22 LEU C 1 26 MET H . 2.600 3.500 3.199 3.199 3.199 . 0 0 "[ ]" 4 41 1 22 LEU O 1 26 MET H . . 2.300 2.026 2.026 2.026 . 0 0 "[ ]" 4 42 1 23 ILE O 1 27 GLU N . 2.600 3.300 2.762 2.762 2.762 . 0 0 "[ ]" 4 43 1 23 ILE C 1 27 GLU H . 2.600 3.500 2.970 2.970 2.970 . 0 0 "[ ]" 4 44 1 23 ILE O 1 27 GLU H . . 2.300 1.819 1.819 1.819 . 0 0 "[ ]" 4 45 2 3 THR OG1 2 6 GLN N . 2.600 3.400 3.294 3.294 3.294 . 0 0 "[ ]" 4 46 2 3 THR OG1 2 6 GLN H . . 2.500 2.364 2.364 2.364 . 0 0 "[ ]" 4 47 2 4 LYS O 2 7 ILE N . 2.700 3.400 3.065 3.065 3.065 . 0 0 "[ ]" 4 48 2 4 LYS C 2 7 ILE H . 2.300 3.500 2.729 2.729 2.729 . 0 0 "[ ]" 4 49 2 4 LYS O 2 7 ILE H . . 2.400 2.286 2.286 2.286 . 0 0 "[ ]" 4 50 2 4 LYS O 2 8 ILE N . 2.600 3.300 3.207 3.207 3.207 . 0 0 "[ ]" 4 51 2 4 LYS C 2 8 ILE H . 2.600 3.500 3.397 3.397 3.397 . 0 0 "[ ]" 4 52 2 4 LYS O 2 8 ILE H . . 2.300 2.386 2.386 2.386 0.086 1 0 "[ ]" 4 53 2 5 ASP O 2 9 GLU N . 2.600 3.300 3.192 3.192 3.192 . 0 0 "[ ]" 4 54 2 5 ASP C 2 9 GLU H . 2.600 3.500 3.453 3.453 3.453 . 0 0 "[ ]" 4 55 2 5 ASP O 2 9 GLU H . . 2.300 2.276 2.276 2.276 . 0 0 "[ ]" 4 56 2 7 ILE O 2 10 ALA N . 2.700 3.400 2.928 2.928 2.928 . 0 0 "[ ]" 4 57 2 7 ILE C 2 10 ALA H . 2.300 3.500 2.455 2.455 2.455 . 0 0 "[ ]" 4 58 2 7 ILE O 2 10 ALA H . . 2.400 2.163 2.163 2.163 . 0 0 "[ ]" 4 59 2 7 ILE O 2 11 VAL N . 2.600 3.300 3.009 3.009 3.009 . 0 0 "[ ]" 4 60 2 7 ILE C 2 11 VAL H . 2.600 3.500 3.281 3.281 3.281 . 0 0 "[ ]" 4 61 2 7 ILE O 2 11 VAL H . . 2.300 2.167 2.167 2.167 . 0 0 "[ ]" 4 62 2 8 ILE O 2 12 ALA N . 2.700 3.400 3.318 3.318 3.318 . 0 0 "[ ]" 4 63 2 8 ILE C 2 12 ALA H . 2.300 3.500 3.486 3.486 3.486 . 0 0 "[ ]" 4 64 2 8 ILE O 2 12 ALA H . . 2.400 2.465 2.465 2.465 0.065 1 0 "[ ]" 4 65 2 15 SER O 2 19 VAL N . 2.600 3.300 2.999 2.999 2.999 . 0 0 "[ ]" 4 66 2 15 SER C 2 19 VAL H . 2.600 3.500 3.240 3.240 3.240 . 0 0 "[ ]" 4 67 2 15 SER O 2 19 VAL H . . 2.300 2.231 2.231 2.231 . 0 0 "[ ]" 4 68 2 16 VAL O 2 20 VAL N . 2.600 3.300 2.836 2.836 2.836 . 0 0 "[ ]" 4 69 2 16 VAL C 2 20 VAL H . 2.600 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 4 70 2 16 VAL O 2 20 VAL H . . 2.300 1.930 1.930 1.930 . 0 0 "[ ]" 4 71 2 17 MET O 2 21 GLU N . 2.600 3.300 3.144 3.144 3.144 . 0 0 "[ ]" 4 72 2 17 MET C 2 21 GLU H . 2.600 3.500 3.341 3.341 3.341 . 0 0 "[ ]" 4 73 2 17 MET O 2 21 GLU H . . 2.300 2.226 2.226 2.226 . 0 0 "[ ]" 4 74 2 18 ASP O 2 22 LEU N . 2.600 3.300 3.274 3.274 3.274 . 0 0 "[ ]" 4 75 2 18 ASP C 2 22 LEU H . 2.600 3.500 3.281 3.281 3.281 . 0 0 "[ ]" 4 76 2 18 ASP O 2 22 LEU H . . 2.300 2.369 2.369 2.369 0.069 1 0 "[ ]" 4 77 2 19 VAL O 2 23 ILE N . 2.600 3.300 2.922 2.922 2.922 . 0 0 "[ ]" 4 78 2 19 VAL C 2 23 ILE H . 2.600 3.500 3.214 3.214 3.214 . 0 0 "[ ]" 4 79 2 19 VAL O 2 23 ILE H . . 2.300 1.987 1.987 1.987 . 0 0 "[ ]" 4 80 2 21 GLU O 2 25 ALA N . 2.600 3.300 2.637 2.637 2.637 . 0 0 "[ ]" 4 81 2 21 GLU C 2 25 ALA H . 2.600 3.500 2.889 2.889 2.889 . 0 0 "[ ]" 4 82 2 21 GLU O 2 25 ALA H . . 2.300 1.776 1.776 1.776 0.024 1 0 "[ ]" 4 83 2 22 LEU O 2 26 MET N . 2.600 3.300 3.278 3.278 3.278 . 0 0 "[ ]" 4 84 2 22 LEU C 2 26 MET H . 2.600 3.500 3.540 3.540 3.540 0.040 1 0 "[ ]" 4 85 2 22 LEU O 2 26 MET H . . 2.300 2.350 2.350 2.350 0.050 1 0 "[ ]" 4 86 2 23 ILE O 2 27 GLU N . 2.600 3.300 3.340 3.340 3.340 0.040 1 0 "[ ]" 4 87 2 23 ILE C 2 27 GLU H . 2.600 3.500 3.467 3.467 3.467 . 0 0 "[ ]" 4 88 2 23 ILE O 2 27 GLU H . . 2.300 2.363 2.363 2.363 0.063 1 0 "[ ]" 4 stop_ save_ save_distance_constraint_statistics_5 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 5 _Distance_constraint_stats_list.Constraint_count 133 _Distance_constraint_stats_list.Viol_count 17 _Distance_constraint_stats_list.Viol_total 0.779 _Distance_constraint_stats_list.Viol_max 0.103 _Distance_constraint_stats_list.Viol_rms 0.0199 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0059 _Distance_constraint_stats_list.Viol_average_violations_only 0.0458 _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 0.126 0.070 1 0 "[ ]" 1 56 VAL 0.164 0.103 1 0 "[ ]" 1 57 ILE 0.000 0.000 . 0 "[ ]" 1 58 LEU 0.000 0.000 . 0 "[ ]" 1 59 LYS 0.080 0.080 1 0 "[ ]" 1 60 ALA 0.099 0.099 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 0.018 0.018 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 0.018 0.018 1 0 "[ ]" 1 73 ARG 0.000 0.000 . 0 "[ ]" 1 76 THR 0.080 0.075 1 0 "[ ]" 1 78 LEU 0.080 0.075 1 0 "[ ]" 1 79 GLY 0.018 0.018 1 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 0.018 0.018 1 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 0.164 0.103 1 0 "[ ]" 1 97 GLY 0.056 0.052 1 0 "[ ]" 1 98 VAL 0.000 0.000 . 0 "[ ]" 1 99 SER 0.027 0.017 1 0 "[ ]" 1 100 LYS 0.005 0.005 1 0 "[ ]" 1 101 ASP 0.000 0.000 . 0 "[ ]" 1 102 ASP 0.027 0.017 1 0 "[ ]" 1 103 ALA 0.000 0.000 . 0 "[ ]" 1 104 GLU 0.005 0.005 1 0 "[ ]" 1 105 ALA 0.098 0.098 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 0.121 0.098 1 0 "[ ]" 1 110 LEU 0.042 0.042 1 0 "[ ]" 1 111 GLU 0.000 0.000 . 0 "[ ]" 1 112 GLU 0.000 0.000 . 0 "[ ]" 1 113 ALA 0.023 0.023 1 0 "[ ]" 1 114 GLY 0.042 0.042 1 0 "[ ]" 1 115 ALA 0.000 0.000 . 0 "[ ]" 1 116 GLU 0.179 0.099 1 0 "[ ]" 1 118 GLU 0.000 0.000 . 0 "[ ]" 1 120 LYS 0.070 0.070 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 54 PHE N 1 98 VAL O . 2.600 3.300 3.055 3.055 3.055 . 0 0 "[ ]" 5 2 1 54 PHE H 1 98 VAL C . 2.600 3.500 3.155 3.155 3.155 . 0 0 "[ ]" 5 3 1 54 PHE H 1 98 VAL O . . 2.200 2.060 2.060 2.060 . 0 0 "[ ]" 5 4 1 55 ASP H 1 120 LYS C . 2.600 3.500 3.154 3.154 3.154 . 0 0 "[ ]" 5 5 1 56 VAL N 1 95 LYS O . 2.600 3.300 3.149 3.149 3.149 . 0 0 "[ ]" 5 6 1 56 VAL H 1 95 LYS C . 2.600 3.500 3.159 3.159 3.159 . 0 0 "[ ]" 5 7 1 56 VAL H 1 95 LYS O . . 2.200 2.261 2.261 2.261 0.061 1 0 "[ ]" 5 8 1 57 ILE N 1 118 GLU O . 2.600 3.300 2.901 2.901 2.901 . 0 0 "[ ]" 5 9 1 57 ILE H 1 118 GLU C . 2.600 3.500 3.036 3.036 3.036 . 0 0 "[ ]" 5 10 1 57 ILE H 1 118 GLU O . . 2.200 1.917 1.917 1.917 . 0 0 "[ ]" 5 11 1 58 LEU N 1 92 ALA O . 2.600 3.300 2.771 2.771 2.771 . 0 0 "[ ]" 5 12 1 58 LEU H 1 92 ALA C . 2.600 3.500 2.911 2.911 2.911 . 0 0 "[ ]" 5 13 1 58 LEU H 1 92 ALA O . . 2.200 1.783 1.783 1.783 . 0 0 "[ ]" 5 14 1 59 LYS N 1 116 GLU O . 2.600 3.300 3.208 3.208 3.208 . 0 0 "[ ]" 5 15 1 59 LYS H 1 116 GLU C . 2.600 3.500 3.364 3.364 3.364 . 0 0 "[ ]" 5 16 1 59 LYS H 1 116 GLU O . . 2.200 2.280 2.280 2.280 0.080 1 0 "[ ]" 5 17 1 60 ALA N 1 116 GLU O . 2.600 3.300 3.272 3.272 3.272 . 0 0 "[ ]" 5 18 1 60 ALA H 1 116 GLU C . 2.600 3.500 3.228 3.228 3.228 . 0 0 "[ ]" 5 19 1 60 ALA H 1 116 GLU O . . 2.200 2.299 2.299 2.299 0.099 1 0 "[ ]" 5 20 1 64 ASN O 1 68 VAL N . 2.600 3.300 3.024 3.024 3.024 . 0 0 "[ ]" 5 21 1 64 ASN C 1 68 VAL H . 2.600 3.500 3.184 3.184 3.184 . 0 0 "[ ]" 5 22 1 64 ASN O 1 68 VAL H . . 2.300 2.051 2.051 2.051 . 0 0 "[ ]" 5 23 1 65 LYS O 1 69 ILE N . 2.600 3.300 2.840 2.840 2.840 . 0 0 "[ ]" 5 24 1 65 LYS C 1 69 ILE H . 2.600 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 5 25 1 65 LYS O 1 69 ILE H . . 2.300 1.845 1.845 1.845 . 0 0 "[ ]" 5 26 1 66 VAL O 1 70 LYS N . 2.600 3.300 3.101 3.101 3.101 . 0 0 "[ ]" 5 27 1 66 VAL C 1 70 LYS H . 2.600 3.500 3.291 3.291 3.291 . 0 0 "[ ]" 5 28 1 66 VAL O 1 70 LYS H . . 2.300 2.188 2.188 2.188 . 0 0 "[ ]" 5 29 1 67 ALA O 1 71 ALA N . 2.600 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 5 30 1 67 ALA C 1 71 ALA H . 2.600 3.500 3.046 3.046 3.046 . 0 0 "[ ]" 5 31 1 67 ALA O 1 71 ALA H . . 2.300 1.898 1.898 1.898 . 0 0 "[ ]" 5 32 1 68 VAL O 1 72 VAL N . 2.600 3.300 2.743 2.743 2.743 . 0 0 "[ ]" 5 33 1 68 VAL C 1 72 VAL H . 2.600 3.500 2.974 2.974 2.974 . 0 0 "[ ]" 5 34 1 68 VAL O 1 72 VAL H . . 2.300 1.782 1.782 1.782 0.018 1 0 "[ ]" 5 35 1 69 ILE O 1 73 ARG N . 2.600 3.300 2.989 2.989 2.989 . 0 0 "[ ]" 5 36 1 69 ILE C 1 73 ARG H . 2.600 3.500 3.263 3.263 3.263 . 0 0 "[ ]" 5 37 1 69 ILE O 1 73 ARG H . . 2.300 2.084 2.084 2.084 . 0 0 "[ ]" 5 38 1 72 VAL O 1 76 THR N . 2.600 3.300 2.823 2.823 2.823 . 0 0 "[ ]" 5 39 1 72 VAL C 1 76 THR H . 2.600 3.500 3.120 3.120 3.120 . 0 0 "[ ]" 5 40 1 72 VAL O 1 76 THR H . . 2.300 1.991 1.991 1.991 . 0 0 "[ ]" 5 41 1 79 GLY O 1 83 ALA N . 2.600 3.300 2.768 2.768 2.768 . 0 0 "[ ]" 5 42 1 79 GLY C 1 83 ALA H . 2.600 3.500 3.002 3.002 3.002 . 0 0 "[ ]" 5 43 1 79 GLY O 1 83 ALA H . . 2.300 1.782 1.782 1.782 0.018 1 0 "[ ]" 5 44 1 80 LEU O 1 84 LYS N . 2.600 3.300 2.849 2.849 2.849 . 0 0 "[ ]" 5 45 1 80 LEU C 1 84 LYS H . 2.600 3.500 3.007 3.007 3.007 . 0 0 "[ ]" 5 46 1 80 LEU O 1 84 LYS H . . 2.300 1.914 1.914 1.914 . 0 0 "[ ]" 5 47 1 81 LYS O 1 85 ASP N . 2.600 3.300 2.826 2.826 2.826 . 0 0 "[ ]" 5 48 1 81 LYS C 1 85 ASP H . 2.600 3.500 3.066 3.066 3.066 . 0 0 "[ ]" 5 49 1 81 LYS O 1 85 ASP H . . 2.300 1.882 1.882 1.882 . 0 0 "[ ]" 5 50 1 82 GLU O 1 86 LEU N . 2.600 3.300 2.784 2.784 2.784 . 0 0 "[ ]" 5 51 1 82 GLU C 1 86 LEU H . 2.600 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 5 52 1 82 GLU O 1 86 LEU H . . 2.300 1.802 1.802 1.802 . 0 0 "[ ]" 5 53 1 83 ALA O 1 87 VAL N . 2.600 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 5 54 1 83 ALA C 1 87 VAL H . 2.600 3.500 3.070 3.070 3.070 . 0 0 "[ ]" 5 55 1 83 ALA O 1 87 VAL H . . 2.300 1.883 1.883 1.883 . 0 0 "[ ]" 5 56 1 84 LYS O 1 88 GLU N . 2.600 3.300 2.797 2.797 2.797 . 0 0 "[ ]" 5 57 1 84 LYS C 1 88 GLU H . 2.600 3.500 2.995 2.995 2.995 . 0 0 "[ ]" 5 58 1 84 LYS O 1 88 GLU H . . 2.300 1.865 1.865 1.865 . 0 0 "[ ]" 5 59 1 86 LEU O 1 89 SER N . 2.700 3.400 2.836 2.836 2.836 . 0 0 "[ ]" 5 60 1 86 LEU C 1 89 SER H . 2.300 3.500 2.504 2.504 2.504 . 0 0 "[ ]" 5 61 1 86 LEU O 1 89 SER H . . 2.400 1.950 1.950 1.950 . 0 0 "[ ]" 5 62 1 87 VAL O 1 90 ALA N . 2.700 3.400 3.228 3.228 3.228 . 0 0 "[ ]" 5 63 1 87 VAL C 1 90 ALA H . 2.300 3.500 3.127 3.127 3.127 . 0 0 "[ ]" 5 64 1 87 VAL O 1 90 ALA H . . 2.400 2.396 2.396 2.396 . 0 0 "[ ]" 5 65 1 58 LEU O 1 92 ALA N . 2.600 3.300 3.079 3.079 3.079 . 0 0 "[ ]" 5 66 1 58 LEU C 1 92 ALA H . 2.600 3.500 3.174 3.174 3.174 . 0 0 "[ ]" 5 67 1 58 LEU O 1 92 ALA H . . 2.200 2.191 2.191 2.191 . 0 0 "[ ]" 5 68 1 56 VAL O 1 94 LEU N . 2.600 3.300 2.665 2.665 2.665 . 0 0 "[ ]" 5 69 1 56 VAL C 1 94 LEU H . 2.600 3.500 2.877 2.877 2.877 . 0 0 "[ ]" 5 70 1 56 VAL O 1 94 LEU H . . 2.200 1.728 1.728 1.728 . 0 0 "[ ]" 5 71 1 56 VAL O 1 95 LYS N . 2.600 3.300 3.226 3.226 3.226 . 0 0 "[ ]" 5 72 1 56 VAL C 1 95 LYS H . 2.600 3.500 3.282 3.282 3.282 . 0 0 "[ ]" 5 73 1 56 VAL O 1 95 LYS H . . 2.200 2.303 2.303 2.303 0.103 1 0 "[ ]" 5 74 1 54 PHE O 1 98 VAL N . 2.600 3.300 3.185 3.185 3.185 . 0 0 "[ ]" 5 75 1 54 PHE C 1 98 VAL H . 2.600 3.500 3.225 3.225 3.225 . 0 0 "[ ]" 5 76 1 54 PHE O 1 98 VAL H . . 2.200 2.186 2.186 2.186 . 0 0 "[ ]" 5 77 1 99 SER O 1 103 ALA N . 2.600 3.300 2.876 2.876 2.876 . 0 0 "[ ]" 5 78 1 99 SER C 1 103 ALA H . 2.600 3.500 3.066 3.066 3.066 . 0 0 "[ ]" 5 79 1 99 SER O 1 103 ALA H . . 2.300 1.923 1.923 1.923 . 0 0 "[ ]" 5 80 1 100 LYS O 1 104 GLU N . 2.600 3.300 2.765 2.765 2.765 . 0 0 "[ ]" 5 81 1 100 LYS C 1 104 GLU H . 2.600 3.500 3.002 3.002 3.002 . 0 0 "[ ]" 5 82 1 100 LYS O 1 104 GLU H . . 2.300 1.795 1.795 1.795 0.005 1 0 "[ ]" 5 83 1 101 ASP O 1 105 ALA N . 2.600 3.300 2.917 2.917 2.917 . 0 0 "[ ]" 5 84 1 101 ASP C 1 105 ALA H . 2.600 3.500 3.158 3.158 3.158 . 0 0 "[ ]" 5 85 1 101 ASP O 1 105 ALA H . . 2.300 2.198 2.198 2.198 . 0 0 "[ ]" 5 86 1 102 ASP O 1 106 LEU N . 2.600 3.300 3.191 3.191 3.191 . 0 0 "[ ]" 5 87 1 102 ASP C 1 106 LEU H . 2.600 3.500 3.421 3.421 3.421 . 0 0 "[ ]" 5 88 1 102 ASP O 1 106 LEU H . . 2.300 2.238 2.238 2.238 . 0 0 "[ ]" 5 89 1 103 ALA O 1 107 LYS N . 2.600 3.300 3.001 3.001 3.001 . 0 0 "[ ]" 5 90 1 103 ALA C 1 107 LYS H . 2.600 3.500 3.125 3.125 3.125 . 0 0 "[ ]" 5 91 1 103 ALA O 1 107 LYS H . . 2.300 2.041 2.041 2.041 . 0 0 "[ ]" 5 92 1 104 GLU O 1 108 LYS N . 2.600 3.300 2.853 2.853 2.853 . 0 0 "[ ]" 5 93 1 104 GLU C 1 108 LYS H . 2.600 3.500 2.949 2.949 2.949 . 0 0 "[ ]" 5 94 1 104 GLU O 1 108 LYS H . . 2.300 1.869 1.869 1.869 . 0 0 "[ ]" 5 95 1 105 ALA O 1 109 ALA N . 2.600 3.300 3.237 3.237 3.237 . 0 0 "[ ]" 5 96 1 105 ALA C 1 109 ALA H . 2.600 3.500 3.307 3.307 3.307 . 0 0 "[ ]" 5 97 1 105 ALA O 1 109 ALA H . . 2.300 2.398 2.398 2.398 0.098 1 0 "[ ]" 5 98 1 106 LEU O 1 110 LEU N . 2.600 3.300 2.788 2.788 2.788 . 0 0 "[ ]" 5 99 1 106 LEU C 1 110 LEU H . 2.600 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 5 100 1 106 LEU O 1 110 LEU H . . 2.300 1.885 1.885 1.885 . 0 0 "[ ]" 5 101 1 107 LYS O 1 111 GLU N . 2.600 3.300 2.953 2.953 2.953 . 0 0 "[ ]" 5 102 1 107 LYS C 1 111 GLU H . 2.600 3.500 3.144 3.144 3.144 . 0 0 "[ ]" 5 103 1 107 LYS O 1 111 GLU H . . 2.300 2.008 2.008 2.008 . 0 0 "[ ]" 5 104 1 108 LYS O 1 112 GLU N . 2.600 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 5 105 1 108 LYS C 1 112 GLU H . 2.600 3.500 2.991 2.991 2.991 . 0 0 "[ ]" 5 106 1 108 LYS O 1 112 GLU H . . 2.300 1.895 1.895 1.895 . 0 0 "[ ]" 5 107 1 109 ALA O 1 113 ALA N . 2.600 3.300 3.164 3.164 3.164 . 0 0 "[ ]" 5 108 1 109 ALA C 1 113 ALA H . 2.600 3.500 3.344 3.344 3.344 . 0 0 "[ ]" 5 109 1 109 ALA O 1 113 ALA H . . 2.300 2.323 2.323 2.323 0.023 1 0 "[ ]" 5 110 1 110 LEU O 1 114 GLY N . 2.400 3.500 2.692 2.692 2.692 . 0 0 "[ ]" 5 111 1 110 LEU C 1 114 GLY H . 2.300 3.600 2.912 2.912 2.912 . 0 0 "[ ]" 5 112 1 110 LEU O 1 114 GLY H . . 2.500 1.858 1.858 1.858 0.042 1 0 "[ ]" 5 113 1 111 GLU O 1 114 GLY N . 2.400 3.500 2.875 2.875 2.875 . 0 0 "[ ]" 5 114 1 111 GLU C 1 114 GLY H . 2.300 3.600 2.595 2.595 2.595 . 0 0 "[ ]" 5 115 1 111 GLU O 1 114 GLY H . . 2.500 2.335 2.335 2.335 . 0 0 "[ ]" 5 116 1 110 LEU O 1 115 ALA N . 2.600 3.300 2.948 2.948 2.948 . 0 0 "[ ]" 5 117 1 110 LEU C 1 115 ALA H . 2.600 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 5 118 1 110 LEU O 1 115 ALA H . . 2.200 2.190 2.190 2.190 . 0 0 "[ ]" 5 119 1 60 ALA O 1 116 GLU N . 2.600 3.300 2.780 2.780 2.780 . 0 0 "[ ]" 5 120 1 60 ALA C 1 116 GLU H . 2.600 3.500 2.984 2.984 2.984 . 0 0 "[ ]" 5 121 1 60 ALA O 1 116 GLU H . . 2.200 1.863 1.863 1.863 . 0 0 "[ ]" 5 122 1 57 ILE O 1 118 GLU N . 2.600 3.300 2.802 2.802 2.802 . 0 0 "[ ]" 5 123 1 57 ILE C 1 118 GLU H . 2.600 3.500 3.084 3.084 3.084 . 0 0 "[ ]" 5 124 1 57 ILE O 1 118 GLU H . . 2.200 1.917 1.917 1.917 . 0 0 "[ ]" 5 125 1 55 ASP O 1 120 LYS N . 2.600 3.300 3.245 3.245 3.245 . 0 0 "[ ]" 5 126 1 55 ASP C 1 120 LYS H . 2.600 3.500 3.397 3.397 3.397 . 0 0 "[ ]" 5 127 1 55 ASP O 1 120 LYS H . . 2.200 2.270 2.270 2.270 0.070 1 0 "[ ]" 5 128 1 76 THR OG1 1 78 LEU N . 2.600 3.400 3.475 3.475 3.475 0.075 1 0 "[ ]" 5 129 1 76 THR OG1 1 78 LEU H . . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 5 130 1 55 ASP OD1 1 97 GLY N . 2.600 3.400 3.404 3.404 3.404 0.004 1 0 "[ ]" 5 131 1 55 ASP OD1 1 97 GLY H . . 2.400 2.452 2.452 2.452 0.052 1 0 "[ ]" 5 132 1 99 SER OG 1 102 ASP N . 2.600 3.400 3.417 3.417 3.417 0.017 1 0 "[ ]" 5 133 1 99 SER OG 1 102 ASP H . . 2.500 2.510 2.510 2.510 0.010 1 0 "[ ]" 5 stop_ save_
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