NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
634473 | 6gvq | 34290 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gvq 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 2254 _Distance_constraint_stats_list.Viol_count 5553 _Distance_constraint_stats_list.Viol_total 7402.534 _Distance_constraint_stats_list.Viol_max 1.842 _Distance_constraint_stats_list.Viol_rms 0.0479 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0082 _Distance_constraint_stats_list.Viol_average_violations_only 0.0667 _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 DC 3.716 0.154 13 0 "[ . 1 . 2]" 1 2 DT 6.233 0.171 11 0 "[ . 1 . 2]" 1 3 DG 12.100 0.382 10 0 "[ . 1 . 2]" 1 4 DT 5.293 0.224 11 0 "[ . 1 . 2]" 1 5 DG 47.896 1.842 19 20 [***********-******+*] 1 6 DC 6.479 0.252 15 0 "[ . 1 . 2]" 1 7 DT 8.380 0.252 15 0 "[ . 1 . 2]" 1 8 DC 7.489 0.195 2 0 "[ . 1 . 2]" 1 9 DA 5.480 0.195 2 0 "[ . 1 . 2]" 2 1 THR 0.105 0.105 2 0 "[ . 1 . 2]" 2 2 VAL 2.543 0.278 19 0 "[ . 1 . 2]" 2 3 VAL 4.497 0.278 19 0 "[ . 1 . 2]" 2 4 GLU 4.960 0.200 13 0 "[ . 1 . 2]" 2 5 PHE 7.748 0.137 12 0 "[ . 1 . 2]" 2 6 GLU 5.177 0.182 4 0 "[ . 1 . 2]" 2 7 GLU 3.018 0.200 13 0 "[ . 1 . 2]" 2 8 LEU 6.171 0.142 5 0 "[ . 1 . 2]" 2 9 ARG 5.275 0.156 5 0 "[ . 1 . 2]" 2 10 LYS 4.105 0.128 7 0 "[ . 1 . 2]" 2 11 GLU 2.088 0.132 13 0 "[ . 1 . 2]" 2 12 LEU 4.710 0.127 11 0 "[ . 1 . 2]" 2 13 VAL 3.620 0.128 7 0 "[ . 1 . 2]" 2 14 LYS 9.027 0.180 5 0 "[ . 1 . 2]" 2 15 ARG 6.676 0.239 5 0 "[ . 1 . 2]" 2 16 ASP 5.629 0.187 4 0 "[ . 1 . 2]" 2 17 SER 0.293 0.102 13 0 "[ . 1 . 2]" 2 18 GLY 2.558 0.157 1 0 "[ . 1 . 2]" 2 19 LYS 5.198 0.157 1 0 "[ . 1 . 2]" 2 20 PRO 3.368 0.102 16 0 "[ . 1 . 2]" 2 21 VAL 4.939 0.136 13 0 "[ . 1 . 2]" 2 22 GLU 2.760 0.064 10 0 "[ . 1 . 2]" 2 23 LYS 11.332 0.136 13 0 "[ . 1 . 2]" 2 24 ILE 7.290 0.130 20 0 "[ . 1 . 2]" 2 25 LYS 9.032 0.187 20 0 "[ . 1 . 2]" 2 26 GLU 7.212 0.140 12 0 "[ . 1 . 2]" 2 27 GLU 6.077 0.183 13 0 "[ . 1 . 2]" 2 28 ILE 4.701 0.130 6 0 "[ . 1 . 2]" 2 29 CYS 2.280 0.224 19 0 "[ . 1 . 2]" 2 30 THR 0.780 0.092 5 0 "[ . 1 . 2]" 2 31 LYS 2.807 0.224 19 0 "[ . 1 . 2]" 2 32 SER 0.348 0.063 15 0 "[ . 1 . 2]" 2 37 ILE 3.037 0.135 15 0 "[ . 1 . 2]" 2 39 GLU 1.638 0.164 8 0 "[ . 1 . 2]" 2 40 ILE 9.513 0.164 8 0 "[ . 1 . 2]" 2 41 ILE 6.653 0.111 10 0 "[ . 1 . 2]" 2 42 CYS 5.132 0.130 6 0 "[ . 1 . 2]" 2 43 GLU 1.537 0.142 18 0 "[ . 1 . 2]" 2 44 ASN 2.602 0.112 16 0 "[ . 1 . 2]" 2 45 LYS 8.927 0.275 18 0 "[ . 1 . 2]" 2 46 THR 13.509 0.275 18 0 "[ . 1 . 2]" 2 47 TYR 3.207 0.215 12 0 "[ . 1 . 2]" 2 48 ALA 3.611 0.169 18 0 "[ . 1 . 2]" 2 49 ASP 4.052 0.210 1 0 "[ . 1 . 2]" 2 50 VAL 4.294 0.153 5 0 "[ . 1 . 2]" 2 51 ASN 5.088 0.246 1 0 "[ . 1 . 2]" 2 52 ILE 4.241 0.179 4 0 "[ . 1 . 2]" 2 53 ASP 1.997 0.214 15 0 "[ . 1 . 2]" 2 54 ARG 2.941 0.214 15 0 "[ . 1 . 2]" 2 55 SER 10.396 1.383 13 5 "[ .* - * + * 2]" 2 56 ARG 4.715 0.337 13 0 "[ . 1 . 2]" 2 57 GLY 3.594 0.177 13 0 "[ . 1 . 2]" 2 58 ASP 32.215 1.842 19 20 [**********-*******+*] 2 59 TRP 10.553 0.173 8 0 "[ . 1 . 2]" 2 60 HIS 7.013 0.337 13 0 "[ . 1 . 2]" 2 61 VAL 4.239 0.114 4 0 "[ . 1 . 2]" 2 62 ILE 2.967 0.114 4 0 "[ . 1 . 2]" 2 63 LEU 3.487 0.136 18 0 "[ . 1 . 2]" 2 64 TYR 5.466 0.135 15 0 "[ . 1 . 2]" 2 65 LEU 7.914 0.133 18 0 "[ . 1 . 2]" 2 66 MET 2.546 0.133 18 0 "[ . 1 . 2]" 2 67 LYS 5.354 0.170 11 0 "[ . 1 . 2]" 2 68 HIS 2.190 0.105 11 0 "[ . 1 . 2]" 2 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 2 70 VAL 3.384 0.145 20 0 "[ . 1 . 2]" 2 71 THR 7.192 0.187 4 0 "[ . 1 . 2]" 2 72 ASP 2.446 0.145 20 0 "[ . 1 . 2]" 2 73 PRO 7.048 0.223 15 0 "[ . 1 . 2]" 2 74 ASP 1.560 0.223 15 0 "[ . 1 . 2]" 2 75 LYS 1.812 0.174 20 0 "[ . 1 . 2]" 2 76 ILE 1.259 0.058 7 0 "[ . 1 . 2]" 2 77 LEU 9.690 0.416 17 0 "[ . 1 . 2]" 2 78 GLU 2.203 0.098 16 0 "[ . 1 . 2]" 2 79 LEU 2.603 0.187 20 0 "[ . 1 . 2]" 2 80 LEU 2.392 0.180 14 0 "[ . 1 . 2]" 2 81 PRO 0.066 0.041 13 0 "[ . 1 . 2]" 2 82 ARG 2.558 0.213 9 0 "[ . 1 . 2]" 2 83 ASP 4.630 0.215 12 0 "[ . 1 . 2]" 2 84 SER 2.766 0.113 8 0 "[ . 1 . 2]" 2 85 LYS 0.941 0.081 7 0 "[ . 1 . 2]" 2 86 ALA 5.757 0.156 14 0 "[ . 1 . 2]" 2 87 LYS 1.844 0.135 7 0 "[ . 1 . 2]" 2 88 GLU 0.393 0.113 8 0 "[ . 1 . 2]" 2 89 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 2 92 TRP 5.288 0.171 11 0 "[ . 1 . 2]" 2 94 THR 6.350 0.136 6 0 "[ . 1 . 2]" 2 95 GLN 3.118 0.136 6 0 "[ . 1 . 2]" 2 96 LYS 3.116 0.121 10 0 "[ . 1 . 2]" 2 97 TYR 21.209 1.383 13 8 "[ .* * * -+** *2]" 2 98 PHE 21.093 0.416 17 0 "[ . 1 . 2]" 2 99 VAL 4.169 0.137 14 0 "[ . 1 . 2]" 2 100 ILE 4.185 0.104 6 0 "[ . 1 . 2]" 2 101 THR 8.633 0.382 20 0 "[ . 1 . 2]" 2 102 LEU 6.002 0.158 11 0 "[ . 1 . 2]" 2 103 SER 1.784 0.300 11 0 "[ . 1 . 2]" 2 104 LYS 4.689 0.300 11 0 "[ . 1 . 2]" 2 105 ALA 4.373 0.157 11 0 "[ . 1 . 2]" 2 106 TRP 23.307 0.239 5 0 "[ . 1 . 2]" 2 107 SER 3.301 0.110 2 0 "[ . 1 . 2]" 2 108 VAL 7.773 0.157 11 0 "[ . 1 . 2]" 2 109 VAL 6.811 0.216 19 0 "[ . 1 . 2]" 2 110 LYS 10.045 0.162 6 0 "[ . 1 . 2]" 2 111 LYS 7.188 0.216 19 0 "[ . 1 . 2]" 2 112 TYR 13.032 0.175 11 0 "[ . 1 . 2]" 2 113 LEU 19.326 1.330 12 11 "[ - ** **+**** *]" 2 114 GLU 2.300 0.095 6 0 "[ . 1 . 2]" 2 115 ALA 13.062 1.330 12 11 "[ - ** **+**** *]" 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 2 54 ARG H 2 56 ARG H . . 5.380 4.376 4.191 4.540 . 0 0 "[ . 1 . 2]" 1 2 2 55 SER H 2 56 ARG H . . 3.990 2.611 2.547 2.732 . 0 0 "[ . 1 . 2]" 1 3 2 56 ARG H 2 57 GLY H . . 3.450 2.391 2.354 2.427 . 0 0 "[ . 1 . 2]" 1 4 2 55 SER QB 2 56 ARG H . . 5.040 3.145 2.439 3.504 . 0 0 "[ . 1 . 2]" 1 5 2 56 ARG H 2 56 ARG HD3 . . 5.060 4.837 3.001 5.102 0.042 20 0 "[ . 1 . 2]" 1 6 2 56 ARG H 2 59 TRP QB . . 5.210 4.522 4.442 4.674 . 0 0 "[ . 1 . 2]" 1 7 2 56 ARG H 2 56 ARG HD2 . . 5.060 4.907 4.529 4.996 . 0 0 "[ . 1 . 2]" 1 8 2 56 ARG H 2 57 GLY HA3 . . 5.500 4.688 4.651 4.731 . 0 0 "[ . 1 . 2]" 1 9 2 56 ARG H 2 56 ARG HB2 . . 3.460 2.327 2.106 2.425 . 0 0 "[ . 1 . 2]" 1 10 2 56 ARG H 2 56 ARG HB3 . . 3.870 3.578 3.384 3.619 . 0 0 "[ . 1 . 2]" 1 11 2 52 ILE MG 2 56 ARG H . . 4.950 4.103 3.989 4.230 . 0 0 "[ . 1 . 2]" 1 12 2 52 ILE MD 2 56 ARG H . . 5.050 4.424 4.262 4.646 . 0 0 "[ . 1 . 2]" 1 13 2 59 TRP HE1 2 60 HIS HA . . 4.990 4.787 4.523 4.927 . 0 0 "[ . 1 . 2]" 1 14 2 59 TRP HE1 2 108 VAL QG . . 4.100 4.116 4.017 4.195 0.095 16 0 "[ . 1 . 2]" 1 15 2 8 LEU HA 2 106 TRP HE1 . . 5.210 5.045 4.963 5.173 . 0 0 "[ . 1 . 2]" 1 16 2 106 TRP HE1 2 107 SER HA . . 5.500 5.527 5.346 5.590 0.090 5 0 "[ . 1 . 2]" 1 17 2 11 GLU HA 2 106 TRP HE1 . . 5.450 5.112 5.011 5.231 . 0 0 "[ . 1 . 2]" 1 18 2 106 TRP HE1 2 110 LYS QE . . 3.980 3.164 2.738 3.728 . 0 0 "[ . 1 . 2]" 1 19 2 11 GLU HG3 2 106 TRP HE1 . . 4.070 2.678 2.414 2.842 . 0 0 "[ . 1 . 2]" 1 20 2 11 GLU QB 2 106 TRP HE1 . . 3.930 2.765 2.604 3.088 . 0 0 "[ . 1 . 2]" 1 21 2 106 TRP HE1 2 110 LYS QD . . 3.200 2.914 2.679 3.049 . 0 0 "[ . 1 . 2]" 1 22 2 8 LEU QD 2 106 TRP HE1 . . 3.860 3.523 3.452 3.577 . 0 0 "[ . 1 . 2]" 1 23 2 106 TRP HE1 2 110 LYS QB . . 4.350 4.132 3.932 4.240 . 0 0 "[ . 1 . 2]" 1 24 2 12 LEU H 2 106 TRP HE1 . . 5.340 5.202 5.077 5.269 . 0 0 "[ . 1 . 2]" 1 25 2 12 LEU QD 2 106 TRP HE1 . . 3.930 3.535 3.464 3.610 . 0 0 "[ . 1 . 2]" 1 26 2 98 PHE H 2 98 PHE HD1 . . 4.420 4.313 4.276 4.332 . 0 0 "[ . 1 . 2]" 1 27 2 94 THR HB 2 98 PHE H . . 4.490 4.502 4.407 4.555 0.065 19 0 "[ . 1 . 2]" 1 28 2 96 LYS HA 2 98 PHE H . . 5.500 4.401 4.327 4.516 . 0 0 "[ . 1 . 2]" 1 29 2 98 PHE H 2 99 VAL HA . . 5.500 5.415 5.383 5.433 . 0 0 "[ . 1 . 2]" 1 30 2 98 PHE H 2 98 PHE HB3 . . 3.530 2.278 2.250 2.300 . 0 0 "[ . 1 . 2]" 1 31 2 96 LYS QG 2 98 PHE H . . 5.500 4.673 4.582 4.772 . 0 0 "[ . 1 . 2]" 1 32 2 103 SER H 2 105 ALA H . . 4.890 4.144 4.017 4.281 . 0 0 "[ . 1 . 2]" 1 33 2 102 LEU QD 2 105 ALA H . . 5.100 4.280 4.198 4.354 . 0 0 "[ . 1 . 2]" 1 34 2 104 LYS H 2 105 ALA H . . 3.320 2.583 2.496 2.645 . 0 0 "[ . 1 . 2]" 1 35 2 59 TRP HZ3 2 105 ALA H . . 3.430 2.518 2.420 2.637 . 0 0 "[ . 1 . 2]" 1 36 2 102 LEU HA 2 105 ALA H . . 4.180 3.347 3.211 3.478 . 0 0 "[ . 1 . 2]" 1 37 2 104 LYS QB 2 105 ALA H . . 3.260 2.555 2.382 2.830 . 0 0 "[ . 1 . 2]" 1 38 2 105 ALA H 2 108 VAL QG . . 4.460 4.522 4.409 4.617 0.157 11 0 "[ . 1 . 2]" 1 39 2 105 ALA H 2 105 ALA MB . . 2.770 2.215 2.194 2.234 . 0 0 "[ . 1 . 2]" 1 40 2 62 ILE MG 2 105 ALA H . . 5.210 4.680 4.597 4.772 . 0 0 "[ . 1 . 2]" 1 41 2 63 LEU MD2 2 105 ALA H . . 5.020 4.596 4.482 4.769 . 0 0 "[ . 1 . 2]" 1 42 2 17 SER H 2 70 VAL H . . 5.170 4.866 4.760 4.973 . 0 0 "[ . 1 . 2]" 1 43 2 66 MET HA 2 70 VAL H . . 3.730 3.683 3.508 3.756 0.026 17 0 "[ . 1 . 2]" 1 44 2 68 HIS HB2 2 70 VAL H . . 4.450 3.330 3.148 3.672 . 0 0 "[ . 1 . 2]" 1 45 2 70 VAL H 2 70 VAL HB . . 3.880 3.656 2.825 3.830 . 0 0 "[ . 1 . 2]" 1 46 2 104 LYS QE 2 105 ALA H . . 4.960 4.937 4.561 5.108 0.148 20 0 "[ . 1 . 2]" 1 47 2 105 ALA H 2 108 VAL H . . 4.840 4.884 4.854 4.925 0.085 17 0 "[ . 1 . 2]" 1 48 2 53 ASP H 2 54 ARG H . . 4.660 4.653 4.632 4.676 0.016 18 0 "[ . 1 . 2]" 1 49 2 53 ASP H 2 57 GLY H . . 5.040 4.760 4.419 4.916 . 0 0 "[ . 1 . 2]" 1 50 2 52 ILE HA 2 53 ASP H . . 2.970 2.458 2.412 2.555 . 0 0 "[ . 1 . 2]" 1 51 2 53 ASP H 2 56 ARG HB2 . . 5.310 3.490 3.251 3.894 . 0 0 "[ . 1 . 2]" 1 52 2 52 ILE HB 2 53 ASP H . . 4.050 3.989 3.957 4.030 . 0 0 "[ . 1 . 2]" 1 53 2 50 VAL MG2 2 53 ASP H . . 5.390 5.219 5.168 5.275 . 0 0 "[ . 1 . 2]" 1 54 2 52 ILE MG 2 53 ASP H . . 3.540 3.247 3.007 3.355 . 0 0 "[ . 1 . 2]" 1 55 2 52 ILE MD 2 53 ASP H . . 3.810 3.717 3.663 3.771 . 0 0 "[ . 1 . 2]" 1 56 2 6 GLU H 2 8 LEU H . . 4.310 3.915 3.832 3.970 . 0 0 "[ . 1 . 2]" 1 57 2 8 LEU H 2 11 GLU H . . 5.190 4.966 4.907 5.016 . 0 0 "[ . 1 . 2]" 1 58 2 5 PHE HA 2 8 LEU H . . 3.550 3.340 3.299 3.421 . 0 0 "[ . 1 . 2]" 1 59 2 4 GLU HA 2 8 LEU H . . 4.640 4.008 3.899 4.072 . 0 0 "[ . 1 . 2]" 1 60 2 6 GLU HA 2 8 LEU H . . 4.640 4.448 4.357 4.563 . 0 0 "[ . 1 . 2]" 1 61 2 6 GLU QG 2 8 LEU H . . 5.070 5.124 5.080 5.155 0.085 11 0 "[ . 1 . 2]" 1 62 2 7 GLU QB 2 8 LEU H . . 3.940 2.744 2.716 2.786 . 0 0 "[ . 1 . 2]" 1 63 2 8 LEU H 2 8 LEU HB3 . . 3.120 2.451 2.433 2.479 . 0 0 "[ . 1 . 2]" 1 64 2 8 LEU H 2 9 ARG HG3 . . 4.580 4.161 4.062 4.288 . 0 0 "[ . 1 . 2]" 1 65 2 8 LEU H 2 8 LEU QD . . 4.610 3.711 3.703 3.718 . 0 0 "[ . 1 . 2]" 1 66 2 47 TYR H 2 47 TYR HD2 . . 4.770 4.340 4.113 4.584 . 0 0 "[ . 1 . 2]" 1 67 2 46 THR HB 2 47 TYR H . . 4.260 4.135 4.038 4.177 . 0 0 "[ . 1 . 2]" 1 68 2 47 TYR H 2 48 ALA HA . . 4.810 4.369 4.310 4.421 . 0 0 "[ . 1 . 2]" 1 69 2 46 THR MG 2 47 TYR H . . 3.580 2.031 1.956 2.314 . 0 0 "[ . 1 . 2]" 1 70 2 40 ILE MD 2 47 TYR H . . 4.310 3.436 3.262 3.529 . 0 0 "[ . 1 . 2]" 1 71 2 46 THR H 2 47 TYR H . . 5.290 1.768 1.731 1.826 . 0 0 "[ . 1 . 2]" 1 72 2 40 ILE MG 2 47 TYR H . . 5.500 4.875 4.712 5.016 . 0 0 "[ . 1 . 2]" 1 73 2 45 LYS HB2 2 47 TYR H . . 5.500 4.872 4.725 5.063 . 0 0 "[ . 1 . 2]" 1 74 2 21 VAL H 2 23 LYS H . . 4.230 4.341 4.292 4.366 0.136 13 0 "[ . 1 . 2]" 1 75 2 20 PRO HA 2 21 VAL H . . 2.760 2.362 2.334 2.406 . 0 0 "[ . 1 . 2]" 1 76 2 21 VAL H 2 75 LYS HA . . 5.500 5.104 4.608 5.614 0.114 20 0 "[ . 1 . 2]" 1 77 2 20 PRO HB2 2 21 VAL H . . 3.280 2.858 2.787 2.909 . 0 0 "[ . 1 . 2]" 1 78 2 21 VAL H 2 22 GLU QG . . 4.430 4.121 4.074 4.174 . 0 0 "[ . 1 . 2]" 1 79 2 21 VAL H 2 21 VAL HB . . 2.650 2.305 2.278 2.343 . 0 0 "[ . 1 . 2]" 1 80 2 21 VAL H 2 24 ILE MD . . 3.680 3.766 3.735 3.810 0.130 20 0 "[ . 1 . 2]" 1 81 2 59 TRP HZ3 2 104 LYS H . . 4.170 4.046 3.912 4.115 . 0 0 "[ . 1 . 2]" 1 82 2 104 LYS H 2 105 ALA HA . . 5.500 5.208 5.123 5.260 . 0 0 "[ . 1 . 2]" 1 83 2 104 LYS H 2 104 LYS QB . . 3.200 2.320 2.128 2.381 . 0 0 "[ . 1 . 2]" 1 84 2 104 LYS H 2 105 ALA MB . . 4.510 4.260 4.208 4.306 . 0 0 "[ . 1 . 2]" 1 85 2 29 CYS H 2 31 LYS H . . 4.210 4.063 3.949 4.229 0.019 15 0 "[ . 1 . 2]" 1 86 2 31 LYS H 2 32 SER H . . 4.540 4.554 4.496 4.603 0.063 15 0 "[ . 1 . 2]" 1 87 2 30 THR HA 2 31 LYS H . . 3.470 3.417 3.280 3.461 . 0 0 "[ . 1 . 2]" 1 88 2 29 CYS HA 2 31 LYS H . . 4.090 3.877 3.625 4.314 0.224 19 0 "[ . 1 . 2]" 1 89 2 28 ILE HA 2 31 LYS H . . 3.640 3.537 2.996 3.661 0.021 10 0 "[ . 1 . 2]" 1 90 2 29 CYS QB 2 31 LYS H . . 4.770 4.746 4.671 4.888 0.118 15 0 "[ . 1 . 2]" 1 91 2 31 LYS H 2 31 LYS HG2 . . 3.960 3.743 2.287 4.035 0.075 19 0 "[ . 1 . 2]" 1 92 2 31 LYS H 2 31 LYS HG3 . . 3.960 2.663 2.432 3.621 . 0 0 "[ . 1 . 2]" 1 93 2 30 THR MG 2 31 LYS H . . 3.700 2.732 2.576 3.065 . 0 0 "[ . 1 . 2]" 1 94 2 28 ILE MG 2 31 LYS H . . 4.400 4.397 4.238 4.483 0.083 7 0 "[ . 1 . 2]" 1 95 2 4 GLU H 2 5 PHE H . . 4.160 2.453 2.417 2.505 . 0 0 "[ . 1 . 2]" 1 96 2 5 PHE H 2 8 LEU H . . 5.490 4.679 4.640 4.729 . 0 0 "[ . 1 . 2]" 1 97 2 5 PHE H 2 98 PHE HE1 . . 5.150 5.194 5.105 5.246 0.096 12 0 "[ . 1 . 2]" 1 98 2 2 VAL HA 2 5 PHE H . . 4.130 3.267 3.058 3.483 . 0 0 "[ . 1 . 2]" 1 99 2 5 PHE H 2 5 PHE HB2 . . 3.560 3.021 2.993 3.048 . 0 0 "[ . 1 . 2]" 1 100 2 4 GLU QG 2 5 PHE H . . 4.340 4.212 3.966 4.477 0.137 12 0 "[ . 1 . 2]" 1 101 2 4 GLU QB 2 5 PHE H . . 3.590 2.672 2.604 2.713 . 0 0 "[ . 1 . 2]" 1 102 2 5 PHE H 2 6 GLU HB3 . . 4.870 4.754 4.700 4.793 . 0 0 "[ . 1 . 2]" 1 103 2 2 VAL QG 2 5 PHE H . . 4.860 4.223 4.043 4.430 . 0 0 "[ . 1 . 2]" 1 104 2 5 PHE H 2 99 VAL QG . . 4.590 2.852 2.703 2.967 . 0 0 "[ . 1 . 2]" 1 105 2 4 GLU H 2 7 GLU H . . 5.300 4.954 4.842 5.017 . 0 0 "[ . 1 . 2]" 1 106 2 1 THR HA 2 4 GLU H . . 4.720 3.725 3.401 3.942 . 0 0 "[ . 1 . 2]" 1 107 2 4 GLU H 2 4 GLU QG . . 3.350 2.599 2.166 3.108 . 0 0 "[ . 1 . 2]" 1 108 2 4 GLU H 2 4 GLU QB . . 3.140 2.399 2.363 2.453 . 0 0 "[ . 1 . 2]" 1 109 2 1 THR MG 2 4 GLU H . . 5.190 4.894 4.658 5.295 0.105 2 0 "[ . 1 . 2]" 1 110 2 21 VAL MG1 2 24 ILE H . . 5.000 4.675 4.636 4.706 . 0 0 "[ . 1 . 2]" 1 111 2 22 GLU H 2 24 ILE H . . 4.320 4.019 3.981 4.047 . 0 0 "[ . 1 . 2]" 1 112 2 21 VAL H 2 24 ILE H . . 5.050 4.992 4.944 5.047 . 0 0 "[ . 1 . 2]" 1 113 2 23 LYS H 2 24 ILE H . . 2.940 2.271 2.253 2.316 . 0 0 "[ . 1 . 2]" 1 114 2 22 GLU HA 2 24 ILE H . . 4.520 4.129 4.084 4.167 . 0 0 "[ . 1 . 2]" 1 115 2 21 VAL HA 2 24 ILE H . . 3.270 2.954 2.894 3.029 . 0 0 "[ . 1 . 2]" 1 116 2 23 LYS QE 2 24 ILE H . . 5.270 5.177 5.149 5.218 . 0 0 "[ . 1 . 2]" 1 117 2 24 ILE H 2 26 GLU QB . . 4.580 4.601 4.480 4.639 0.059 16 0 "[ . 1 . 2]" 1 118 2 24 ILE H 2 24 ILE HB . . 2.860 2.212 2.193 2.243 . 0 0 "[ . 1 . 2]" 1 119 2 24 ILE H 2 25 LYS HD2 . . 4.550 3.444 3.396 3.504 . 0 0 "[ . 1 . 2]" 1 120 2 24 ILE H 2 24 ILE HG13 . . 3.790 3.866 3.842 3.899 0.109 13 0 "[ . 1 . 2]" 1 121 2 24 ILE H 2 24 ILE MD . . 2.800 2.236 2.162 2.277 . 0 0 "[ . 1 . 2]" 1 122 2 2 VAL H 2 3 VAL H . . 3.650 2.659 2.582 2.724 . 0 0 "[ . 1 . 2]" 1 123 2 3 VAL H 2 4 GLU H . . 3.540 2.480 2.293 2.611 . 0 0 "[ . 1 . 2]" 1 124 2 1 THR HA 2 3 VAL H . . 4.580 4.334 4.097 4.444 . 0 0 "[ . 1 . 2]" 1 125 2 3 VAL H 2 4 GLU HA . . 5.290 5.146 4.996 5.253 . 0 0 "[ . 1 . 2]" 1 126 2 3 VAL H 2 3 VAL HA . . 2.910 2.899 2.868 2.940 0.030 2 0 "[ . 1 . 2]" 1 127 2 3 VAL H 2 4 GLU QG . . 4.700 4.372 3.904 4.888 0.188 19 0 "[ . 1 . 2]" 1 128 2 2 VAL HB 2 3 VAL H . . 3.180 3.008 2.739 3.192 0.012 9 0 "[ . 1 . 2]" 1 129 2 3 VAL H 2 3 VAL HB . . 2.890 2.397 2.189 2.598 . 0 0 "[ . 1 . 2]" 1 130 2 1 THR MG 2 3 VAL H . . 5.250 5.001 4.324 5.232 . 0 0 "[ . 1 . 2]" 1 131 2 95 GLN H 2 96 LYS QG . . 4.960 3.985 3.654 4.261 . 0 0 "[ . 1 . 2]" 1 132 2 95 GLN H 2 96 LYS H . . 3.690 2.630 2.587 2.694 . 0 0 "[ . 1 . 2]" 1 133 2 94 THR HB 2 95 GLN H . . 4.220 4.254 4.234 4.281 0.061 8 0 "[ . 1 . 2]" 1 134 2 95 GLN H 2 95 GLN QG . . 3.610 2.035 2.002 2.177 . 0 0 "[ . 1 . 2]" 1 135 2 95 GLN H 2 95 GLN QB . . 3.040 2.484 2.428 2.509 . 0 0 "[ . 1 . 2]" 1 136 2 94 THR MG 2 95 GLN H . . 4.230 3.844 3.820 3.873 . 0 0 "[ . 1 . 2]" 1 137 2 95 GLN H 2 96 LYS QB . . 5.360 4.891 4.830 5.042 . 0 0 "[ . 1 . 2]" 1 138 2 13 VAL H 2 16 ASP H . . 4.620 4.630 4.564 4.700 0.080 11 0 "[ . 1 . 2]" 1 139 2 15 ARG H 2 16 ASP H . . 2.920 2.262 2.180 2.303 . 0 0 "[ . 1 . 2]" 1 140 2 15 ARG HA 2 16 ASP H . . 3.480 3.439 3.357 3.485 0.005 7 0 "[ . 1 . 2]" 1 141 2 14 LYS HA 2 16 ASP H . . 4.430 3.993 3.944 4.070 . 0 0 "[ . 1 . 2]" 1 142 2 13 VAL HA 2 16 ASP H . . 3.510 3.138 3.080 3.191 . 0 0 "[ . 1 . 2]" 1 143 2 12 LEU HA 2 16 ASP H . . 4.590 4.473 4.402 4.586 . 0 0 "[ . 1 . 2]" 1 144 2 16 ASP H 2 16 ASP QB . . 2.690 2.195 2.175 2.207 . 0 0 "[ . 1 . 2]" 1 145 2 15 ARG QB 2 16 ASP H . . 3.820 3.142 2.973 3.409 . 0 0 "[ . 1 . 2]" 1 146 2 15 ARG QG 2 16 ASP H . . 4.280 4.297 4.157 4.339 0.059 13 0 "[ . 1 . 2]" 1 147 2 13 VAL MG2 2 16 ASP H . . 5.010 4.912 4.848 4.975 . 0 0 "[ . 1 . 2]" 1 148 2 16 ASP H 2 71 THR MG . . 5.500 3.843 3.744 3.965 . 0 0 "[ . 1 . 2]" 1 149 2 47 TYR H 2 48 ALA H . . 3.570 1.630 1.594 1.669 . 0 0 "[ . 1 . 2]" 1 150 2 47 TYR HD2 2 48 ALA H . . 4.480 3.601 3.326 3.782 . 0 0 "[ . 1 . 2]" 1 151 2 2 VAL H 2 3 VAL HB . . 5.180 4.790 4.565 4.932 . 0 0 "[ . 1 . 2]" 1 152 2 17 SER H 2 19 LYS H . . 4.940 3.906 3.821 4.016 . 0 0 "[ . 1 . 2]" 1 153 2 16 ASP QB 2 19 LYS H . . 5.500 5.481 5.365 5.579 0.079 11 0 "[ . 1 . 2]" 1 154 2 19 LYS H 2 19 LYS QB . . 3.300 2.448 2.347 2.589 . 0 0 "[ . 1 . 2]" 1 155 2 18 GLY H 2 19 LYS H . . 3.130 2.519 2.424 2.624 . 0 0 "[ . 1 . 2]" 1 156 2 19 LYS H 2 70 VAL HA . . 5.420 4.918 4.479 5.219 . 0 0 "[ . 1 . 2]" 1 157 2 17 SER HA 2 19 LYS H . . 5.040 4.477 4.310 4.643 . 0 0 "[ . 1 . 2]" 1 158 2 19 LYS H 2 19 LYS QE . . 4.140 3.340 3.085 3.744 . 0 0 "[ . 1 . 2]" 1 159 2 19 LYS H 2 19 LYS QG . . 3.820 2.224 1.948 3.006 . 0 0 "[ . 1 . 2]" 1 160 2 46 THR H 2 48 ALA H . . 5.500 2.759 2.689 2.841 . 0 0 "[ . 1 . 2]" 1 161 2 48 ALA H 2 51 ASN H . . 5.290 4.684 4.596 4.897 . 0 0 "[ . 1 . 2]" 1 162 2 48 ALA H 2 50 VAL H . . 4.620 4.322 4.212 4.396 . 0 0 "[ . 1 . 2]" 1 163 2 47 TYR HB3 2 48 ALA H . . 4.630 4.193 3.862 4.330 . 0 0 "[ . 1 . 2]" 1 164 2 47 TYR HB2 2 48 ALA H . . 4.630 4.133 4.069 4.195 . 0 0 "[ . 1 . 2]" 1 165 2 46 THR MG 2 48 ALA H . . 4.110 2.923 2.832 3.104 . 0 0 "[ . 1 . 2]" 1 166 2 2 VAL H 2 2 VAL HB . . 3.110 2.571 2.511 2.619 . 0 0 "[ . 1 . 2]" 1 167 2 1 THR MG 2 2 VAL H . . 3.800 3.401 2.193 3.742 . 0 0 "[ . 1 . 2]" 1 168 2 2 VAL H 2 2 VAL QG . . 2.920 1.896 1.855 1.943 . 0 0 "[ . 1 . 2]" 1 169 2 2 VAL H 2 99 VAL QG . . 5.230 4.583 4.360 4.749 . 0 0 "[ . 1 . 2]" 1 170 2 19 LYS H 2 20 PRO HD2 . . 4.950 4.868 4.852 4.890 . 0 0 "[ . 1 . 2]" 1 171 2 75 LYS H 2 77 LEU H . . 4.210 4.041 3.881 4.219 0.009 9 0 "[ . 1 . 2]" 1 172 2 75 LYS H 2 78 GLU H . . 5.500 4.757 4.631 4.890 . 0 0 "[ . 1 . 2]" 1 173 2 74 ASP HB3 2 75 LYS H . . 4.180 3.248 2.524 4.209 0.029 19 0 "[ . 1 . 2]" 1 174 2 75 LYS H 2 76 ILE HG12 . . 4.760 4.211 4.086 4.450 . 0 0 "[ . 1 . 2]" 1 175 2 75 LYS H 2 75 LYS HG2 . . 4.180 3.103 2.015 3.852 . 0 0 "[ . 1 . 2]" 1 176 2 52 ILE MG 2 54 ARG H . . 5.460 4.588 4.456 4.685 . 0 0 "[ . 1 . 2]" 1 177 2 60 HIS H 2 61 VAL H . . 3.970 2.654 2.611 2.707 . 0 0 "[ . 1 . 2]" 1 178 2 58 ASP HA 2 61 VAL H . . 4.800 3.564 3.474 3.683 . 0 0 "[ . 1 . 2]" 1 179 2 61 VAL H 2 61 VAL HB . . 3.390 2.300 2.256 2.324 . 0 0 "[ . 1 . 2]" 1 180 2 61 VAL H 2 61 VAL MG1 . . 3.930 3.711 3.690 3.725 . 0 0 "[ . 1 . 2]" 1 181 2 37 ILE MD 2 61 VAL H . . 4.200 4.139 3.977 4.247 0.047 16 0 "[ . 1 . 2]" 1 182 2 64 TYR H 2 65 LEU H . . 3.400 2.658 2.616 2.724 . 0 0 "[ . 1 . 2]" 1 183 2 64 TYR QB 2 65 LEU H . . 3.480 2.818 2.782 2.885 . 0 0 "[ . 1 . 2]" 1 184 2 65 LEU H 2 65 LEU MD2 . . 3.140 3.216 3.193 3.236 0.096 3 0 "[ . 1 . 2]" 1 185 2 65 LEU H 2 65 LEU HB3 . . 4.020 3.590 3.579 3.597 . 0 0 "[ . 1 . 2]" 1 186 2 65 LEU H 2 65 LEU HG . . 2.920 2.054 2.008 2.091 . 0 0 "[ . 1 . 2]" 1 187 2 85 LYS QG 2 88 GLU H . . 5.380 4.984 4.742 5.461 0.081 7 0 "[ . 1 . 2]" 1 188 2 72 ASP H 2 75 LYS H . . 5.500 4.388 4.134 4.565 . 0 0 "[ . 1 . 2]" 1 189 2 72 ASP H 2 73 PRO QD . . 5.010 4.059 3.889 4.236 . 0 0 "[ . 1 . 2]" 1 190 2 72 ASP H 2 72 ASP HB2 . . 3.970 3.687 3.289 4.032 0.062 20 0 "[ . 1 . 2]" 1 191 2 72 ASP H 2 76 ILE HG12 . . 5.330 2.234 2.059 2.428 . 0 0 "[ . 1 . 2]" 1 192 2 12 LEU HB3 2 72 ASP H . . 4.360 4.125 4.041 4.298 . 0 0 "[ . 1 . 2]" 1 193 2 12 LEU QD 2 72 ASP H . . 5.350 3.802 3.727 3.965 . 0 0 "[ . 1 . 2]" 1 194 2 54 ARG H 2 57 GLY H . . 5.300 4.761 4.677 4.867 . 0 0 "[ . 1 . 2]" 1 195 2 47 TYR HD2 2 54 ARG H . . 4.990 4.639 4.383 4.993 0.003 1 0 "[ . 1 . 2]" 1 196 2 54 ARG H 2 54 ARG HG3 . . 4.190 3.252 2.982 3.838 . 0 0 "[ . 1 . 2]" 1 197 2 54 ARG H 2 54 ARG HG2 . . 4.190 1.943 1.802 2.559 . 0 0 "[ . 1 . 2]" 1 198 2 85 LYS HA 2 88 GLU H . . 4.890 2.892 2.690 3.076 . 0 0 "[ . 1 . 2]" 1 199 2 106 TRP H 2 108 VAL H . . 4.480 4.049 3.925 4.194 . 0 0 "[ . 1 . 2]" 1 200 2 108 VAL H 2 109 VAL H . . 3.120 2.597 2.560 2.624 . 0 0 "[ . 1 . 2]" 1 201 2 106 TRP HA 2 108 VAL H . . 4.650 4.202 4.050 4.421 . 0 0 "[ . 1 . 2]" 1 202 2 63 LEU MD2 2 108 VAL H . . 4.320 4.101 4.011 4.236 . 0 0 "[ . 1 . 2]" 1 203 2 9 ARG H 2 11 GLU H . . 4.570 4.185 4.143 4.241 . 0 0 "[ . 1 . 2]" 1 204 2 108 VAL H 2 111 LYS H . . 5.010 4.976 4.911 5.033 0.023 8 0 "[ . 1 . 2]" 1 205 2 59 TRP HH2 2 108 VAL H . . 4.920 4.454 4.299 4.542 . 0 0 "[ . 1 . 2]" 1 206 2 104 LYS HA 2 108 VAL H . . 4.400 4.180 4.000 4.343 . 0 0 "[ . 1 . 2]" 1 207 2 105 ALA HA 2 108 VAL H . . 3.770 3.681 3.608 3.770 . 0 0 "[ . 1 . 2]" 1 208 2 11 GLU H 2 12 LEU HA . . 5.370 5.201 5.168 5.233 . 0 0 "[ . 1 . 2]" 1 209 2 10 LYS QE 2 11 GLU H . . 4.760 2.867 2.564 3.266 . 0 0 "[ . 1 . 2]" 1 210 2 108 VAL H 2 108 VAL HB . . 2.900 2.333 2.222 2.488 . 0 0 "[ . 1 . 2]" 1 211 2 10 LYS QD 2 11 GLU H . . 3.710 3.299 3.257 3.329 . 0 0 "[ . 1 . 2]" 1 212 2 108 VAL H 2 108 VAL QG . . 2.850 2.274 2.199 2.338 . 0 0 "[ . 1 . 2]" 1 213 2 11 GLU H 2 12 LEU QD . . 4.960 4.540 4.472 4.629 . 0 0 "[ . 1 . 2]" 1 214 2 11 GLU H 2 11 GLU QB . . 2.720 2.221 2.190 2.247 . 0 0 "[ . 1 . 2]" 1 215 2 10 LYS HB3 2 11 GLU H . . 5.500 2.773 2.723 2.850 . 0 0 "[ . 1 . 2]" 1 216 2 11 GLU H 2 12 LEU HB2 . . 5.330 4.854 4.813 4.907 . 0 0 "[ . 1 . 2]" 1 217 2 11 GLU H 2 14 LYS HG2 . . 5.500 4.875 4.731 5.209 . 0 0 "[ . 1 . 2]" 1 218 2 108 VAL H 2 110 LYS H . . 4.420 4.247 4.156 4.335 . 0 0 "[ . 1 . 2]" 1 219 2 106 TRP HA 2 110 LYS H . . 4.120 3.892 3.805 3.973 . 0 0 "[ . 1 . 2]" 1 220 2 110 LYS H 2 110 LYS QE . . 5.150 4.631 4.456 5.200 0.050 20 0 "[ . 1 . 2]" 1 221 2 110 LYS H 2 111 LYS QB . . 4.840 4.816 4.764 4.888 0.048 2 0 "[ . 1 . 2]" 1 222 2 110 LYS H 2 110 LYS QD . . 3.950 3.611 3.500 3.787 . 0 0 "[ . 1 . 2]" 1 223 2 110 LYS H 2 110 LYS HG3 . . 3.850 3.521 3.465 3.684 . 0 0 "[ . 1 . 2]" 1 224 2 110 LYS H 2 110 LYS QB . . 2.790 2.457 2.361 2.488 . 0 0 "[ . 1 . 2]" 1 225 2 63 LEU MD2 2 110 LYS H . . 5.500 5.351 5.033 5.483 . 0 0 "[ . 1 . 2]" 1 226 2 106 TRP HZ3 2 110 LYS H . . 5.260 4.884 4.790 4.999 . 0 0 "[ . 1 . 2]" 1 227 2 107 SER HA 2 109 VAL H . . 4.670 4.418 4.350 4.521 . 0 0 "[ . 1 . 2]" 1 228 2 63 LEU MD2 2 109 VAL H . . 4.040 3.438 3.196 3.558 . 0 0 "[ . 1 . 2]" 1 229 2 106 TRP HA 2 109 VAL H . . 3.910 3.329 3.203 3.447 . 0 0 "[ . 1 . 2]" 1 230 2 109 VAL H 2 110 LYS HA . . 5.460 5.151 5.107 5.190 . 0 0 "[ . 1 . 2]" 1 231 2 108 VAL HB 2 109 VAL H . . 4.050 3.217 2.709 4.098 0.048 16 0 "[ . 1 . 2]" 1 232 2 109 VAL H 2 109 VAL HB . . 3.140 2.429 2.329 2.471 . 0 0 "[ . 1 . 2]" 1 233 2 108 VAL QG 2 109 VAL H . . 3.490 2.932 2.389 3.241 . 0 0 "[ . 1 . 2]" 1 234 2 97 TYR HA 2 100 ILE H . . 4.840 3.537 3.457 3.590 . 0 0 "[ . 1 . 2]" 1 235 2 99 VAL HB 2 100 ILE H . . 3.850 2.822 2.701 2.863 . 0 0 "[ . 1 . 2]" 1 236 2 100 ILE H 2 102 LEU QB . . 5.500 5.281 5.208 5.358 . 0 0 "[ . 1 . 2]" 1 237 2 99 VAL QG 2 100 ILE H . . 3.970 3.237 3.165 3.279 . 0 0 "[ . 1 . 2]" 1 238 2 96 LYS QB 2 100 ILE H . . 5.480 4.962 4.818 5.091 . 0 0 "[ . 1 . 2]" 1 239 2 100 ILE H 2 102 LEU QD . . 5.500 5.096 5.033 5.207 . 0 0 "[ . 1 . 2]" 1 240 2 12 LEU QD 2 14 LYS H . . 5.500 5.286 5.254 5.324 . 0 0 "[ . 1 . 2]" 1 241 2 12 LEU H 2 14 LYS H . . 4.280 4.013 3.990 4.073 . 0 0 "[ . 1 . 2]" 1 242 2 11 GLU H 2 14 LYS H . . 4.830 4.805 4.761 4.843 0.013 5 0 "[ . 1 . 2]" 1 243 2 14 LYS H 2 16 ASP H . . 4.350 3.823 3.796 3.855 . 0 0 "[ . 1 . 2]" 1 244 2 14 LYS H 2 15 ARG HA . . 5.500 5.163 5.130 5.212 . 0 0 "[ . 1 . 2]" 1 245 2 10 LYS HA 2 14 LYS H . . 4.240 4.168 4.060 4.237 . 0 0 "[ . 1 . 2]" 1 246 2 12 LEU HA 2 14 LYS H . . 4.760 4.321 4.284 4.374 . 0 0 "[ . 1 . 2]" 1 247 2 14 LYS H 2 16 ASP QB . . 5.230 4.638 4.583 4.691 . 0 0 "[ . 1 . 2]" 1 248 2 13 VAL HB 2 14 LYS H . . 3.130 2.897 2.855 2.933 . 0 0 "[ . 1 . 2]" 1 249 2 14 LYS H 2 14 LYS QB . . 2.600 2.381 2.312 2.411 . 0 0 "[ . 1 . 2]" 1 250 2 10 LYS HG2 2 14 LYS H . . 4.990 4.776 4.566 4.900 . 0 0 "[ . 1 . 2]" 1 251 2 14 LYS H 2 14 LYS HG2 . . 3.660 3.220 3.150 3.419 . 0 0 "[ . 1 . 2]" 1 252 2 13 VAL MG2 2 14 LYS H . . 4.770 4.091 4.075 4.119 . 0 0 "[ . 1 . 2]" 1 253 2 60 HIS H 2 62 ILE H . . 5.210 4.214 4.167 4.272 . 0 0 "[ . 1 . 2]" 1 254 2 58 ASP HA 2 62 ILE H . . 5.130 4.003 3.907 4.054 . 0 0 "[ . 1 . 2]" 1 255 2 62 ILE H 2 63 LEU HB2 . . 5.500 4.763 4.708 4.800 . 0 0 "[ . 1 . 2]" 1 256 2 59 TRP HA 2 62 ILE H . . 5.030 3.585 3.534 3.631 . 0 0 "[ . 1 . 2]" 1 257 2 61 VAL HB 2 62 ILE H . . 3.970 2.713 2.670 2.749 . 0 0 "[ . 1 . 2]" 1 258 2 62 ILE H 2 62 ILE HG12 . . 3.860 3.734 3.693 3.772 . 0 0 "[ . 1 . 2]" 1 259 2 62 ILE H 2 62 ILE HB . . 3.530 2.295 2.271 2.310 . 0 0 "[ . 1 . 2]" 1 260 2 61 VAL MG1 2 62 ILE H . . 4.200 3.314 3.212 3.382 . 0 0 "[ . 1 . 2]" 1 261 2 62 ILE H 2 62 ILE HG13 . . 4.070 2.394 2.360 2.430 . 0 0 "[ . 1 . 2]" 1 262 2 62 ILE H 2 62 ILE MG . . 3.840 3.710 3.698 3.722 . 0 0 "[ . 1 . 2]" 1 263 2 37 ILE MD 2 62 ILE H . . 5.500 5.137 4.964 5.256 . 0 0 "[ . 1 . 2]" 1 264 2 58 ASP H 2 61 VAL MG2 . . 5.500 4.935 4.879 4.989 . 0 0 "[ . 1 . 2]" 1 265 2 58 ASP H 2 62 ILE MD . . 5.500 5.351 5.223 5.449 . 0 0 "[ . 1 . 2]" 1 266 2 58 ASP H 2 59 TRP H . . 5.220 2.583 2.536 2.624 . 0 0 "[ . 1 . 2]" 1 267 2 100 ILE H 2 100 ILE MG . . 3.830 3.708 3.696 3.721 . 0 0 "[ . 1 . 2]" 1 268 2 14 LYS H 2 14 LYS QE . . 5.370 4.854 4.620 4.976 . 0 0 "[ . 1 . 2]" 1 269 2 101 THR H 2 102 LEU H . . 3.400 2.675 2.642 2.718 . 0 0 "[ . 1 . 2]" 1 270 2 98 PHE HA 2 102 LEU H . . 4.180 3.522 3.447 3.643 . 0 0 "[ . 1 . 2]" 1 271 2 101 THR HB 2 102 LEU H . . 3.020 2.651 2.622 2.706 . 0 0 "[ . 1 . 2]" 1 272 2 102 LEU H 2 104 LYS QB . . 5.380 5.433 5.306 5.538 0.158 11 0 "[ . 1 . 2]" 1 273 2 102 LEU H 2 102 LEU QB . . 3.250 2.212 2.187 2.230 . 0 0 "[ . 1 . 2]" 1 274 2 102 LEU H 2 102 LEU QD . . 3.510 2.284 2.241 2.329 . 0 0 "[ . 1 . 2]" 1 275 2 13 VAL H 2 16 ASP QB . . 5.050 4.508 4.424 4.560 . 0 0 "[ . 1 . 2]" 1 276 2 12 LEU HG 2 13 VAL H . . 4.410 4.279 4.204 4.383 . 0 0 "[ . 1 . 2]" 1 277 2 13 VAL H 2 14 LYS H . . 3.150 2.539 2.502 2.578 . 0 0 "[ . 1 . 2]" 1 278 2 11 GLU H 2 13 VAL H . . 4.330 4.072 4.017 4.137 . 0 0 "[ . 1 . 2]" 1 279 2 13 VAL H 2 13 VAL HB . . 2.900 2.275 2.241 2.307 . 0 0 "[ . 1 . 2]" 1 280 2 13 VAL H 2 14 LYS QB . . 4.490 4.556 4.518 4.573 0.083 6 0 "[ . 1 . 2]" 1 281 2 12 LEU HB2 2 13 VAL H . . 3.840 2.754 2.689 2.817 . 0 0 "[ . 1 . 2]" 1 282 2 13 VAL H 2 13 VAL MG2 . . 2.820 2.381 2.319 2.464 . 0 0 "[ . 1 . 2]" 1 283 2 12 LEU QD 2 13 VAL H . . 4.190 4.141 4.108 4.185 . 0 0 "[ . 1 . 2]" 1 284 2 58 ASP H 2 59 TRP QB . . 5.500 4.253 4.225 4.277 . 0 0 "[ . 1 . 2]" 1 285 2 23 LYS HA 2 27 GLU H . . 4.190 3.867 3.795 3.909 . 0 0 "[ . 1 . 2]" 1 286 2 27 GLU H 2 28 ILE HA . . 5.300 5.149 5.119 5.168 . 0 0 "[ . 1 . 2]" 1 287 2 24 ILE HA 2 27 GLU H . . 3.790 3.729 3.639 3.781 . 0 0 "[ . 1 . 2]" 1 288 2 23 LYS QE 2 27 GLU H . . 4.740 4.445 4.332 4.485 . 0 0 "[ . 1 . 2]" 1 289 2 27 GLU H 2 27 GLU QB . . 3.040 2.480 2.461 2.511 . 0 0 "[ . 1 . 2]" 1 290 2 27 GLU H 2 30 THR MG . . 5.000 4.516 4.406 4.711 . 0 0 "[ . 1 . 2]" 1 291 2 24 ILE H 2 27 GLU H . . 5.040 4.796 4.754 4.844 . 0 0 "[ . 1 . 2]" 1 292 2 96 LYS H 2 98 PHE H . . 5.110 4.157 4.105 4.224 . 0 0 "[ . 1 . 2]" 1 293 2 96 LYS H 2 97 TYR H . . 3.800 2.406 2.394 2.432 . 0 0 "[ . 1 . 2]" 1 294 2 95 GLN QB 2 96 LYS H . . 3.570 3.508 3.456 3.526 . 0 0 "[ . 1 . 2]" 1 295 2 1 THR MG 2 96 LYS H . . 5.030 3.945 3.562 4.477 . 0 0 "[ . 1 . 2]" 1 296 2 96 LYS H 2 96 LYS QG . . 3.720 2.056 1.798 2.247 . 0 0 "[ . 1 . 2]" 1 297 2 112 TYR H 2 114 GLU H . . 3.870 3.932 3.908 3.956 0.086 18 0 "[ . 1 . 2]" 1 298 2 111 LYS H 2 114 GLU H . . 4.890 4.837 4.804 4.863 . 0 0 "[ . 1 . 2]" 1 299 2 114 GLU H 2 114 GLU HA . . 2.830 2.829 2.818 2.837 0.007 5 0 "[ . 1 . 2]" 1 300 2 111 LYS HA 2 114 GLU H . . 3.730 3.218 3.181 3.270 . 0 0 "[ . 1 . 2]" 1 301 2 110 LYS HA 2 114 GLU H . . 4.630 4.446 4.416 4.484 . 0 0 "[ . 1 . 2]" 1 302 2 114 GLU H 2 114 GLU HB2 . . 3.590 3.583 3.572 3.592 0.002 6 0 "[ . 1 . 2]" 1 303 2 114 GLU H 2 114 GLU HB3 . . 2.890 2.404 2.374 2.435 . 0 0 "[ . 1 . 2]" 1 304 2 113 LEU QB 2 114 GLU H . . 3.950 3.994 3.989 4.001 0.051 3 0 "[ . 1 . 2]" 1 305 2 113 LEU QD 2 114 GLU H . . 3.670 3.277 3.227 3.342 . 0 0 "[ . 1 . 2]" 1 306 2 111 LYS HA 2 113 LEU H . . 4.350 3.943 3.887 3.984 . 0 0 "[ . 1 . 2]" 1 307 2 50 VAL H 2 52 ILE H . . 3.980 3.484 3.383 3.582 . 0 0 "[ . 1 . 2]" 1 308 2 47 TYR HD2 2 52 ILE H . . 5.500 3.946 3.557 4.524 . 0 0 "[ . 1 . 2]" 1 309 2 47 TYR HA 2 52 ILE H . . 4.100 3.748 3.590 3.851 . 0 0 "[ . 1 . 2]" 1 310 2 51 ASN HA 2 52 ILE H . . 2.960 2.992 2.945 3.048 0.088 10 0 "[ . 1 . 2]" 1 311 2 109 VAL HA 2 113 LEU H . . 4.420 4.481 4.440 4.511 0.091 11 0 "[ . 1 . 2]" 1 312 2 112 TYR QB 2 113 LEU H . . 3.400 3.275 3.247 3.315 . 0 0 "[ . 1 . 2]" 1 313 2 50 VAL HB 2 52 ILE H . . 4.910 4.031 3.861 4.137 . 0 0 "[ . 1 . 2]" 1 314 2 113 LEU H 2 113 LEU HG . . 3.000 2.022 1.993 2.054 . 0 0 "[ . 1 . 2]" 1 315 2 52 ILE H 2 52 ILE HB . . 3.150 2.547 2.509 2.576 . 0 0 "[ . 1 . 2]" 1 316 2 113 LEU H 2 113 LEU QB . . 3.410 2.910 2.892 2.935 . 0 0 "[ . 1 . 2]" 1 317 2 50 VAL MG2 2 52 ILE H . . 3.370 1.926 1.834 2.068 . 0 0 "[ . 1 . 2]" 1 318 2 52 ILE H 2 52 ILE MG . . 2.920 2.068 1.995 2.166 . 0 0 "[ . 1 . 2]" 1 319 2 52 ILE H 2 52 ILE MD . . 4.700 4.339 4.286 4.355 . 0 0 "[ . 1 . 2]" 1 320 2 79 LEU H 2 80 LEU H . . 2.920 2.506 2.367 2.572 . 0 0 "[ . 1 . 2]" 1 321 2 78 GLU H 2 80 LEU H . . 3.990 4.039 3.940 4.088 0.098 16 0 "[ . 1 . 2]" 1 322 2 78 GLU HA 2 80 LEU H . . 5.500 3.942 3.736 4.202 . 0 0 "[ . 1 . 2]" 1 323 2 79 LEU HG 2 80 LEU H . . 3.430 3.085 2.726 3.241 . 0 0 "[ . 1 . 2]" 1 324 2 79 LEU HB3 2 80 LEU H . . 4.640 4.351 4.180 4.410 . 0 0 "[ . 1 . 2]" 1 325 2 80 LEU H 2 80 LEU MD1 . . 5.500 3.394 2.727 3.634 . 0 0 "[ . 1 . 2]" 1 326 2 80 LEU H 2 80 LEU MD2 . . 5.500 3.639 3.096 4.099 . 0 0 "[ . 1 . 2]" 1 327 2 77 LEU QD 2 80 LEU H . . 5.250 4.543 4.334 4.727 . 0 0 "[ . 1 . 2]" 1 328 2 20 PRO HA 2 23 LYS H . . 4.780 4.869 4.828 4.882 0.102 16 0 "[ . 1 . 2]" 1 329 2 23 LYS H 2 23 LYS HG2 . . 3.170 2.471 2.415 2.509 . 0 0 "[ . 1 . 2]" 1 330 2 21 VAL MG1 2 23 LYS H . . 4.590 4.381 4.346 4.405 . 0 0 "[ . 1 . 2]" 1 331 2 21 VAL HA 2 23 LYS H . . 3.850 3.702 3.672 3.746 . 0 0 "[ . 1 . 2]" 1 332 2 23 LYS H 2 23 LYS QE . . 4.680 4.503 4.473 4.536 . 0 0 "[ . 1 . 2]" 1 333 2 20 PRO HB2 2 23 LYS H . . 3.940 3.942 3.908 3.977 0.037 11 0 "[ . 1 . 2]" 1 334 2 23 LYS H 2 25 LYS HD2 . . 4.730 4.201 4.169 4.240 . 0 0 "[ . 1 . 2]" 1 335 2 23 LYS H 2 24 ILE MD . . 3.510 3.187 3.133 3.269 . 0 0 "[ . 1 . 2]" 1 336 2 9 ARG H 2 10 LYS H . . 3.370 2.563 2.540 2.585 . 0 0 "[ . 1 . 2]" 1 337 2 6 GLU QG 2 9 ARG H . . 5.500 5.529 5.347 5.591 0.091 20 0 "[ . 1 . 2]" 1 338 2 9 ARG H 2 12 LEU HG . . 4.840 4.759 4.581 4.838 . 0 0 "[ . 1 . 2]" 1 339 2 8 LEU H 2 9 ARG H . . 3.110 2.623 2.588 2.656 . 0 0 "[ . 1 . 2]" 1 340 2 5 PHE HA 2 9 ARG H . . 4.110 3.475 3.372 3.524 . 0 0 "[ . 1 . 2]" 1 341 2 9 ARG H 2 10 LYS HA . . 5.350 5.186 5.162 5.206 . 0 0 "[ . 1 . 2]" 1 342 2 8 LEU HB3 2 9 ARG H . . 3.380 2.602 2.560 2.646 . 0 0 "[ . 1 . 2]" 1 343 2 9 ARG H 2 9 ARG HG3 . . 3.420 2.226 2.157 2.317 . 0 0 "[ . 1 . 2]" 1 344 2 9 ARG H 2 9 ARG HB2 . . 3.750 3.603 3.591 3.619 . 0 0 "[ . 1 . 2]" 1 345 2 8 LEU HG 2 9 ARG H . . 4.100 3.784 3.727 3.852 . 0 0 "[ . 1 . 2]" 1 346 2 8 LEU QD 2 9 ARG H . . 3.980 3.901 3.863 3.951 . 0 0 "[ . 1 . 2]" 1 347 2 62 ILE H 2 63 LEU H . . 3.590 2.689 2.669 2.710 . 0 0 "[ . 1 . 2]" 1 348 2 60 HIS HA 2 63 LEU H . . 3.910 3.553 3.470 3.631 . 0 0 "[ . 1 . 2]" 1 349 2 61 VAL HA 2 63 LEU H . . 4.950 4.401 4.343 4.459 . 0 0 "[ . 1 . 2]" 1 350 2 63 LEU H 2 64 TYR QB . . 4.390 4.341 4.314 4.370 . 0 0 "[ . 1 . 2]" 1 351 2 62 ILE HG12 2 63 LEU H . . 5.440 5.190 5.162 5.216 . 0 0 "[ . 1 . 2]" 1 352 2 62 ILE HB 2 63 LEU H . . 3.660 2.826 2.776 2.856 . 0 0 "[ . 1 . 2]" 1 353 2 63 LEU H 2 63 LEU HB2 . . 3.370 2.338 2.296 2.374 . 0 0 "[ . 1 . 2]" 1 354 2 61 VAL MG1 2 63 LEU H . . 5.010 4.938 4.862 5.009 . 0 0 "[ . 1 . 2]" 1 355 2 63 LEU H 2 63 LEU HG . . 3.170 2.394 2.321 2.514 . 0 0 "[ . 1 . 2]" 1 356 2 63 LEU H 2 63 LEU MD2 . . 4.020 3.603 3.525 3.686 . 0 0 "[ . 1 . 2]" 1 357 2 65 LEU H 2 66 MET H . . 3.660 2.517 2.482 2.555 . 0 0 "[ . 1 . 2]" 1 358 2 66 MET H 2 66 MET HB2 . . 3.210 2.346 2.300 2.438 . 0 0 "[ . 1 . 2]" 1 359 2 65 LEU HB3 2 66 MET H . . 4.340 3.971 3.931 4.050 . 0 0 "[ . 1 . 2]" 1 360 2 65 LEU HG 2 66 MET H . . 4.110 4.225 4.204 4.243 0.133 18 0 "[ . 1 . 2]" 1 361 2 62 ILE MG 2 66 MET H . . 4.900 4.335 4.276 4.373 . 0 0 "[ . 1 . 2]" 1 362 2 63 LEU H 2 66 MET H . . 5.420 5.000 4.961 5.109 . 0 0 "[ . 1 . 2]" 1 363 2 66 MET H 2 70 VAL H . . 5.500 5.261 5.177 5.442 . 0 0 "[ . 1 . 2]" 1 364 2 64 TYR H 2 66 MET H . . 4.730 4.060 3.963 4.173 . 0 0 "[ . 1 . 2]" 1 365 2 66 MET H 2 71 THR HA . . 5.500 5.404 5.263 5.529 0.029 4 0 "[ . 1 . 2]" 1 366 2 63 LEU HA 2 66 MET H . . 4.010 3.531 3.406 3.689 . 0 0 "[ . 1 . 2]" 1 367 2 63 LEU MD2 2 66 MET H . . 5.280 4.974 4.794 5.117 . 0 0 "[ . 1 . 2]" 1 368 2 86 ALA H 2 87 LYS H . . 3.680 2.705 2.633 2.791 . 0 0 "[ . 1 . 2]" 1 369 2 86 ALA H 2 88 GLU QB . . 5.500 4.865 4.650 5.308 . 0 0 "[ . 1 . 2]" 1 370 2 77 LEU QD 2 86 ALA H . . 5.430 5.128 4.844 5.334 . 0 0 "[ . 1 . 2]" 1 371 2 85 LYS QG 2 86 ALA H . . 5.050 4.106 2.906 4.293 . 0 0 "[ . 1 . 2]" 1 372 2 12 LEU H 2 13 VAL H . . 3.360 2.500 2.454 2.558 . 0 0 "[ . 1 . 2]" 1 373 2 11 GLU H 2 12 LEU H . . 3.070 2.563 2.517 2.618 . 0 0 "[ . 1 . 2]" 1 374 2 8 LEU HA 2 12 LEU H . . 5.110 4.754 4.635 4.825 . 0 0 "[ . 1 . 2]" 1 375 2 10 LYS HA 2 12 LEU H . . 4.550 4.244 4.175 4.307 . 0 0 "[ . 1 . 2]" 1 376 2 11 GLU HG3 2 12 LEU H . . 4.340 4.255 3.851 4.398 0.058 19 0 "[ . 1 . 2]" 1 377 2 11 GLU QB 2 12 LEU H . . 2.930 2.860 2.791 2.941 0.011 6 0 "[ . 1 . 2]" 1 378 2 12 LEU H 2 12 LEU HB2 . . 3.170 2.494 2.463 2.543 . 0 0 "[ . 1 . 2]" 1 379 2 12 LEU H 2 13 VAL MG2 . . 4.200 4.105 4.070 4.175 . 0 0 "[ . 1 . 2]" 1 380 2 12 LEU H 2 12 LEU HG . . 3.360 2.238 2.149 2.331 . 0 0 "[ . 1 . 2]" 1 381 2 12 LEU H 2 12 LEU QD . . 3.300 3.035 2.928 3.122 . 0 0 "[ . 1 . 2]" 1 382 2 17 SER H 2 71 THR H . . 4.590 4.448 4.209 4.606 0.016 15 0 "[ . 1 . 2]" 1 383 2 16 ASP H 2 17 SER H . . 4.840 4.664 4.651 4.682 . 0 0 "[ . 1 . 2]" 1 384 2 17 SER H 2 70 VAL HA . . 4.220 2.305 2.074 2.469 . 0 0 "[ . 1 . 2]" 1 385 2 17 SER H 2 19 LYS QE . . 5.500 4.712 4.210 5.602 0.102 13 0 "[ . 1 . 2]" 1 386 2 16 ASP QB 2 17 SER H . . 3.810 3.584 3.446 3.684 . 0 0 "[ . 1 . 2]" 1 387 2 86 ALA H 2 94 THR HB . . 5.500 5.497 5.372 5.566 0.066 6 0 "[ . 1 . 2]" 1 388 2 86 ALA H 2 86 ALA MB . . 3.200 2.123 2.097 2.145 . 0 0 "[ . 1 . 2]" 1 389 2 86 ALA H 2 88 GLU H . . 4.700 3.974 3.842 4.075 . 0 0 "[ . 1 . 2]" 1 390 2 84 SER QB 2 86 ALA H . . 4.330 3.027 2.858 3.153 . 0 0 "[ . 1 . 2]" 1 391 2 10 LYS QE 2 12 LEU H . . 5.500 5.222 4.959 5.527 0.027 10 0 "[ . 1 . 2]" 1 392 2 59 TRP H 2 60 HIS H . . 3.560 2.788 2.748 2.856 . 0 0 "[ . 1 . 2]" 1 393 2 59 TRP H 2 59 TRP HD1 . . 4.950 4.690 4.633 4.723 . 0 0 "[ . 1 . 2]" 1 394 2 59 TRP H 2 59 TRP QB . . 3.560 2.152 2.140 2.164 . 0 0 "[ . 1 . 2]" 1 395 2 58 ASP QB 2 59 TRP H . . 3.990 2.697 2.604 2.776 . 0 0 "[ . 1 . 2]" 1 396 2 59 TRP H 2 62 ILE MD . . 4.700 4.262 4.113 4.359 . 0 0 "[ . 1 . 2]" 1 397 2 59 TRP H 2 61 VAL H . . 4.760 4.116 4.042 4.173 . 0 0 "[ . 1 . 2]" 1 398 2 55 SER HA 2 59 TRP H . . 5.280 4.427 4.040 4.607 . 0 0 "[ . 1 . 2]" 1 399 2 110 LYS H 2 112 TYR H . . 4.220 3.817 3.793 3.859 . 0 0 "[ . 1 . 2]" 1 400 2 109 VAL H 2 112 TYR H . . 4.950 4.591 4.541 4.647 . 0 0 "[ . 1 . 2]" 1 401 2 112 TYR H 2 113 LEU H . . 2.870 2.560 2.533 2.593 . 0 0 "[ . 1 . 2]" 1 402 2 112 TYR H 2 112 TYR HD2 . . 3.590 3.677 3.654 3.698 0.108 18 0 "[ . 1 . 2]" 1 403 2 111 LYS H 2 112 TYR H . . 2.960 2.370 2.334 2.394 . 0 0 "[ . 1 . 2]" 1 404 2 112 TYR H 2 113 LEU HA . . 5.330 5.225 5.203 5.254 . 0 0 "[ . 1 . 2]" 1 405 2 109 VAL HA 2 112 TYR H . . 3.620 3.230 3.156 3.267 . 0 0 "[ . 1 . 2]" 1 406 2 112 TYR H 2 112 TYR QB . . 2.890 2.057 2.041 2.071 . 0 0 "[ . 1 . 2]" 1 407 2 111 LYS QB 2 112 TYR H . . 3.680 3.685 3.648 3.710 0.030 7 0 "[ . 1 . 2]" 1 408 2 111 LYS QG 2 112 TYR H . . 3.640 2.532 2.417 2.611 . 0 0 "[ . 1 . 2]" 1 409 2 110 LYS QB 2 112 TYR H . . 5.180 4.900 4.871 4.935 . 0 0 "[ . 1 . 2]" 1 410 2 102 LEU QD 2 106 TRP H . . 5.190 3.966 3.811 4.125 . 0 0 "[ . 1 . 2]" 1 411 2 63 LEU MD2 2 106 TRP H . . 4.930 4.561 4.510 4.631 . 0 0 "[ . 1 . 2]" 1 412 2 105 ALA H 2 106 TRP H . . 3.230 2.668 2.553 2.741 . 0 0 "[ . 1 . 2]" 1 413 2 106 TRP H 2 106 TRP HD1 . . 5.090 4.838 4.810 4.864 . 0 0 "[ . 1 . 2]" 1 414 2 103 SER HA 2 106 TRP H . . 4.660 3.951 3.775 4.109 . 0 0 "[ . 1 . 2]" 1 415 2 104 LYS HA 2 106 TRP H . . 5.120 4.482 4.342 4.578 . 0 0 "[ . 1 . 2]" 1 416 2 106 TRP H 2 106 TRP HB2 . . 3.000 2.723 2.706 2.749 . 0 0 "[ . 1 . 2]" 1 417 2 106 TRP H 2 108 VAL QG . . 4.770 4.695 4.324 4.896 0.126 5 0 "[ . 1 . 2]" 1 418 2 105 ALA MB 2 106 TRP H . . 3.010 2.641 2.583 2.710 . 0 0 "[ . 1 . 2]" 1 419 2 62 ILE MG 2 106 TRP H . . 4.940 4.746 4.615 4.914 . 0 0 "[ . 1 . 2]" 1 420 2 12 LEU QD 2 106 TRP H . . 4.790 4.533 4.464 4.656 . 0 0 "[ . 1 . 2]" 1 421 2 5 PHE H 2 6 GLU H . . 4.000 2.717 2.660 2.749 . 0 0 "[ . 1 . 2]" 1 422 2 97 TYR H 2 98 PHE H . . 3.670 2.725 2.696 2.791 . 0 0 "[ . 1 . 2]" 1 423 2 97 TYR H 2 99 VAL H . . 5.000 4.236 4.151 4.275 . 0 0 "[ . 1 . 2]" 1 424 2 97 TYR H 2 97 TYR HD2 . . 4.290 4.286 4.164 4.337 0.047 15 0 "[ . 1 . 2]" 1 425 2 94 THR HB 2 97 TYR H . . 5.100 5.070 5.006 5.123 0.023 11 0 "[ . 1 . 2]" 1 426 2 97 TYR H 2 97 TYR QB . . 3.530 2.195 2.164 2.209 . 0 0 "[ . 1 . 2]" 1 427 2 95 GLN QB 2 97 TYR H . . 5.020 5.063 5.040 5.087 0.067 7 0 "[ . 1 . 2]" 1 428 2 94 THR MG 2 97 TYR H . . 5.180 5.078 5.045 5.102 . 0 0 "[ . 1 . 2]" 1 429 2 96 LYS QB 2 97 TYR H . . 4.050 3.626 3.564 3.685 . 0 0 "[ . 1 . 2]" 1 430 2 66 MET H 2 67 LYS H . . 3.400 2.588 2.516 2.609 . 0 0 "[ . 1 . 2]" 1 431 2 67 LYS H 2 70 VAL H . . 5.250 5.357 5.336 5.395 0.145 20 0 "[ . 1 . 2]" 1 432 2 67 LYS H 2 67 LYS HB3 . . 4.120 3.546 2.725 3.599 . 0 0 "[ . 1 . 2]" 1 433 2 63 LEU MD2 2 67 LYS H . . 5.500 5.512 5.360 5.582 0.082 3 0 "[ . 1 . 2]" 1 434 2 77 LEU H 2 79 LEU H . . 4.320 4.071 3.901 4.196 . 0 0 "[ . 1 . 2]" 1 435 2 79 LEU H 2 80 LEU HA . . 5.200 4.997 4.915 5.050 . 0 0 "[ . 1 . 2]" 1 436 2 78 GLU HA 2 79 LEU H . . 3.490 3.545 3.513 3.570 0.080 8 0 "[ . 1 . 2]" 1 437 2 78 GLU HB3 2 79 LEU H . . 3.430 2.981 2.868 3.094 . 0 0 "[ . 1 . 2]" 1 438 2 79 LEU H 2 79 LEU HG . . 2.950 2.100 1.997 2.355 . 0 0 "[ . 1 . 2]" 1 439 2 79 LEU H 2 79 LEU HB3 . . 3.150 2.652 2.553 2.802 . 0 0 "[ . 1 . 2]" 1 440 2 79 LEU H 2 79 LEU QD . . 3.280 3.045 3.006 3.108 . 0 0 "[ . 1 . 2]" 1 441 2 77 LEU QD 2 79 LEU H . . 5.500 5.224 5.192 5.257 . 0 0 "[ . 1 . 2]" 1 442 2 26 GLU H 2 27 GLU H . . 3.010 2.593 2.553 2.636 . 0 0 "[ . 1 . 2]" 1 443 2 24 ILE H 2 26 GLU H . . 4.250 3.815 3.732 3.841 . 0 0 "[ . 1 . 2]" 1 444 2 23 LYS H 2 26 GLU H . . 4.770 4.818 4.779 4.856 0.086 13 0 "[ . 1 . 2]" 1 445 2 23 LYS HA 2 26 GLU H . . 3.310 3.361 3.299 3.390 0.080 20 0 "[ . 1 . 2]" 1 446 2 26 GLU H 2 29 CYS QB . . 5.050 5.092 4.983 5.190 0.140 12 0 "[ . 1 . 2]" 1 447 2 26 GLU H 2 26 GLU HA . . 2.940 2.882 2.868 2.897 . 0 0 "[ . 1 . 2]" 1 448 2 25 LYS HA 2 26 GLU H . . 3.490 3.512 3.496 3.528 0.038 5 0 "[ . 1 . 2]" 1 449 2 26 GLU H 2 26 GLU QB . . 2.490 2.227 2.201 2.241 . 0 0 "[ . 1 . 2]" 1 450 2 25 LYS HD2 2 26 GLU H . . 3.300 2.570 2.495 2.629 . 0 0 "[ . 1 . 2]" 1 451 2 25 LYS HG3 2 26 GLU H . . 4.230 4.272 4.235 4.302 0.072 11 0 "[ . 1 . 2]" 1 452 2 65 LEU HA 2 67 LYS H . . 4.630 4.146 4.069 4.311 . 0 0 "[ . 1 . 2]" 1 453 2 67 LYS H 2 67 LYS HE2 . . 5.100 5.169 4.209 5.270 0.170 11 0 "[ . 1 . 2]" 1 454 2 66 MET HB3 2 67 LYS H . . 4.240 3.779 3.654 4.038 . 0 0 "[ . 1 . 2]" 1 455 2 67 LYS H 2 67 LYS HB2 . . 4.120 2.451 2.362 3.638 . 0 0 "[ . 1 . 2]" 1 456 2 67 LYS H 2 67 LYS HD2 . . 4.850 3.960 3.875 4.423 . 0 0 "[ . 1 . 2]" 1 457 2 65 LEU H 2 67 LYS H . . 4.550 4.087 4.005 4.255 . 0 0 "[ . 1 . 2]" 1 458 2 63 LEU HA 2 67 LYS H . . 4.850 4.579 4.503 4.646 . 0 0 "[ . 1 . 2]" 1 459 2 66 MET HB2 2 67 LYS H . . 3.600 2.887 2.820 3.094 . 0 0 "[ . 1 . 2]" 1 460 2 100 ILE H 2 101 THR H . . 3.750 2.586 2.554 2.669 . 0 0 "[ . 1 . 2]" 1 461 2 101 THR H 2 101 THR HB . . 2.820 2.482 2.424 2.520 . 0 0 "[ . 1 . 2]" 1 462 2 100 ILE HG13 2 101 THR H . . 4.430 4.447 4.423 4.477 0.047 19 0 "[ . 1 . 2]" 1 463 2 101 THR H 2 102 LEU QB . . 4.940 4.557 4.502 4.608 . 0 0 "[ . 1 . 2]" 1 464 2 100 ILE MG 2 101 THR H . . 3.340 3.200 3.130 3.253 . 0 0 "[ . 1 . 2]" 1 465 2 100 ILE MD 2 101 THR H . . 4.430 4.473 4.370 4.492 0.062 2 0 "[ . 1 . 2]" 1 466 2 101 THR H 2 102 LEU QD . . 4.910 3.819 3.765 3.873 . 0 0 "[ . 1 . 2]" 1 467 2 45 LYS H 2 46 THR H . . 4.600 4.599 4.564 4.626 0.026 1 0 "[ . 1 . 2]" 1 468 2 44 ASN H 2 45 LYS H . . 3.510 2.771 2.688 2.894 . 0 0 "[ . 1 . 2]" 1 469 2 43 GLU HB3 2 45 LYS H . . 4.530 2.835 2.658 2.926 . 0 0 "[ . 1 . 2]" 1 470 2 45 LYS H 2 45 LYS HB2 . . 3.610 2.484 2.411 2.531 . 0 0 "[ . 1 . 2]" 1 471 2 45 LYS H 2 45 LYS HG2 . . 3.210 2.199 2.134 2.295 . 0 0 "[ . 1 . 2]" 1 472 2 40 ILE MD 2 45 LYS H . . 4.830 4.465 4.334 4.645 . 0 0 "[ . 1 . 2]" 1 473 2 51 ASN H 2 52 ILE H . . 3.110 2.848 2.798 2.955 . 0 0 "[ . 1 . 2]" 1 474 2 50 VAL H 2 51 ASN H . . 2.910 2.158 2.118 2.306 . 0 0 "[ . 1 . 2]" 1 475 2 51 ASN H 2 51 ASN HA . . 2.560 2.245 2.235 2.258 . 0 0 "[ . 1 . 2]" 1 476 2 48 ALA HA 2 51 ASN H . . 3.700 3.013 2.900 3.200 . 0 0 "[ . 1 . 2]" 1 477 2 49 ASP QB 2 51 ASN H . . 4.570 4.496 4.449 4.555 . 0 0 "[ . 1 . 2]" 1 478 2 51 ASN H 2 51 ASN HB3 . . 4.060 3.744 2.993 3.993 . 0 0 "[ . 1 . 2]" 1 479 2 50 VAL HB 2 51 ASN H . . 4.400 4.417 4.328 4.487 0.087 13 0 "[ . 1 . 2]" 1 480 2 50 VAL MG2 2 51 ASN H . . 3.490 3.125 3.022 3.326 . 0 0 "[ . 1 . 2]" 1 481 2 50 VAL MG1 2 51 ASN H . . 4.550 4.179 4.118 4.259 . 0 0 "[ . 1 . 2]" 1 482 2 51 ASN H 2 52 ILE MG . . 4.470 4.200 4.135 4.402 . 0 0 "[ . 1 . 2]" 1 483 2 51 ASN H 2 51 ASN HD22 . . 5.200 4.177 3.521 5.446 0.246 1 0 "[ . 1 . 2]" 1 484 2 100 ILE HB 2 101 THR H . . 3.450 2.618 2.528 2.640 . 0 0 "[ . 1 . 2]" 1 485 2 21 VAL H 2 22 GLU H . . 3.290 2.812 2.792 2.845 . 0 0 "[ . 1 . 2]" 1 486 2 22 GLU H 2 23 LYS H . . 2.990 2.633 2.609 2.646 . 0 0 "[ . 1 . 2]" 1 487 2 20 PRO HA 2 22 GLU H . . 4.310 4.213 4.164 4.285 . 0 0 "[ . 1 . 2]" 1 488 2 22 GLU H 2 23 LYS HA . . 5.470 5.278 5.259 5.291 . 0 0 "[ . 1 . 2]" 1 489 2 22 GLU H 2 22 GLU HA . . 2.820 2.857 2.852 2.861 0.041 8 0 "[ . 1 . 2]" 1 490 2 22 GLU H 2 25 LYS QE . . 5.380 3.974 3.948 4.035 . 0 0 "[ . 1 . 2]" 1 491 2 20 PRO HB2 2 22 GLU H . . 3.670 2.607 2.540 2.677 . 0 0 "[ . 1 . 2]" 1 492 2 22 GLU H 2 22 GLU QG . . 3.050 2.020 1.992 2.039 . 0 0 "[ . 1 . 2]" 1 493 2 22 GLU H 2 25 LYS HD2 . . 4.820 4.794 4.761 4.822 0.002 10 0 "[ . 1 . 2]" 1 494 2 22 GLU H 2 23 LYS HG2 . . 4.840 4.221 4.152 4.279 . 0 0 "[ . 1 . 2]" 1 495 2 21 VAL MG1 2 22 GLU H . . 3.230 2.466 2.404 2.491 . 0 0 "[ . 1 . 2]" 1 496 2 25 LYS H 2 28 ILE H . . 5.110 4.896 4.838 4.924 . 0 0 "[ . 1 . 2]" 1 497 2 28 ILE H 2 30 THR H . . 4.610 3.928 3.801 4.048 . 0 0 "[ . 1 . 2]" 1 498 2 25 LYS HA 2 28 ILE H . . 3.700 3.395 3.291 3.543 . 0 0 "[ . 1 . 2]" 1 499 2 28 ILE H 2 29 CYS QB . . 4.700 4.326 4.201 4.526 . 0 0 "[ . 1 . 2]" 1 500 2 27 GLU HG3 2 28 ILE H . . 4.560 2.910 2.383 3.002 . 0 0 "[ . 1 . 2]" 1 501 2 27 GLU QB 2 28 ILE H . . 3.650 3.692 3.646 3.712 0.062 13 0 "[ . 1 . 2]" 1 502 2 28 ILE H 2 28 ILE HB . . 2.850 2.280 2.216 2.327 . 0 0 "[ . 1 . 2]" 1 503 2 28 ILE H 2 41 ILE MG . . 4.140 4.033 3.862 4.189 0.049 12 0 "[ . 1 . 2]" 1 504 2 28 ILE H 2 28 ILE MD . . 3.790 3.590 3.533 3.643 . 0 0 "[ . 1 . 2]" 1 505 2 26 GLU H 2 28 ILE H . . 4.700 3.853 3.801 3.929 . 0 0 "[ . 1 . 2]" 1 506 2 28 ILE H 2 29 CYS HA . . 5.100 5.093 5.063 5.138 0.038 5 0 "[ . 1 . 2]" 1 507 2 40 ILE MD 2 49 ASP H . . 5.150 3.255 3.090 3.426 . 0 0 "[ . 1 . 2]" 1 508 2 47 TYR H 2 49 ASP H . . 4.200 3.208 3.002 3.337 . 0 0 "[ . 1 . 2]" 1 509 2 48 ALA H 2 49 ASP H . . 3.400 2.627 2.570 2.683 . 0 0 "[ . 1 . 2]" 1 510 2 46 THR H 2 49 ASP H . . 3.720 3.364 3.302 3.459 . 0 0 "[ . 1 . 2]" 1 511 2 49 ASP H 2 51 ASN H . . 3.910 3.680 3.562 3.831 . 0 0 "[ . 1 . 2]" 1 512 2 49 ASP H 2 50 VAL H . . 3.120 2.551 2.403 2.619 . 0 0 "[ . 1 . 2]" 1 513 2 47 TYR HA 2 49 ASP H . . 4.060 3.793 3.719 3.900 . 0 0 "[ . 1 . 2]" 1 514 2 49 ASP H 2 49 ASP QB . . 3.130 2.186 2.143 2.211 . 0 0 "[ . 1 . 2]" 1 515 2 45 LYS HB2 2 49 ASP H . . 4.090 4.119 4.042 4.231 0.141 18 0 "[ . 1 . 2]" 1 516 2 46 THR MG 2 49 ASP H . . 4.630 4.704 4.652 4.840 0.210 1 0 "[ . 1 . 2]" 1 517 2 49 ASP H 2 50 VAL MG2 . . 4.060 3.798 3.708 3.928 . 0 0 "[ . 1 . 2]" 1 518 2 49 ASP H 2 50 VAL MG1 . . 5.060 4.159 3.939 4.426 . 0 0 "[ . 1 . 2]" 1 519 2 7 GLU H 2 9 ARG H . . 4.460 4.191 4.157 4.232 . 0 0 "[ . 1 . 2]" 1 520 2 5 PHE H 2 7 GLU H . . 4.980 4.421 4.360 4.483 . 0 0 "[ . 1 . 2]" 1 521 2 6 GLU H 2 7 GLU H . . 3.320 2.686 2.629 2.743 . 0 0 "[ . 1 . 2]" 1 522 2 4 GLU HA 2 7 GLU H . . 4.180 3.452 3.318 3.536 . 0 0 "[ . 1 . 2]" 1 523 2 7 GLU H 2 10 LYS QE . . 5.500 5.541 5.507 5.611 0.111 10 0 "[ . 1 . 2]" 1 524 2 6 GLU HB3 2 7 GLU H . . 3.120 2.721 2.630 2.766 . 0 0 "[ . 1 . 2]" 1 525 2 114 GLU HB2 2 115 ALA H . . 3.560 2.635 2.539 2.718 . 0 0 "[ . 1 . 2]" 1 526 2 62 ILE H 2 64 TYR H . . 4.320 4.127 4.052 4.211 . 0 0 "[ . 1 . 2]" 1 527 2 63 LEU H 2 64 TYR H . . 3.510 2.621 2.604 2.657 . 0 0 "[ . 1 . 2]" 1 528 2 64 TYR H 2 67 LYS H . . 5.090 4.959 4.927 5.047 . 0 0 "[ . 1 . 2]" 1 529 2 64 TYR H 2 64 TYR HD2 . . 4.630 4.487 4.399 4.581 . 0 0 "[ . 1 . 2]" 1 530 2 61 VAL HA 2 64 TYR H . . 4.130 3.457 3.371 3.531 . 0 0 "[ . 1 . 2]" 1 531 2 64 TYR H 2 64 TYR QB . . 3.050 2.189 2.174 2.202 . 0 0 "[ . 1 . 2]" 1 532 2 64 TYR H 2 66 MET HB2 . . 5.480 5.165 5.071 5.497 0.017 11 0 "[ . 1 . 2]" 1 533 2 63 LEU HB2 2 64 TYR H . . 3.790 2.832 2.741 2.897 . 0 0 "[ . 1 . 2]" 1 534 2 61 VAL MG1 2 64 TYR H . . 5.350 4.545 4.463 4.613 . 0 0 "[ . 1 . 2]" 1 535 2 64 TYR H 2 65 LEU HG . . 4.210 4.039 3.992 4.112 . 0 0 "[ . 1 . 2]" 1 536 2 37 ILE MD 2 64 TYR H . . 3.910 3.832 3.619 3.989 0.079 15 0 "[ . 1 . 2]" 1 537 2 63 LEU MD2 2 64 TYR H . . 4.910 4.787 4.769 4.811 . 0 0 "[ . 1 . 2]" 1 538 2 98 PHE H 2 99 VAL H . . 3.830 2.816 2.777 2.847 . 0 0 "[ . 1 . 2]" 1 539 2 99 VAL H 2 100 ILE H . . 3.810 2.635 2.608 2.685 . 0 0 "[ . 1 . 2]" 1 540 2 99 VAL H 2 101 THR H . . 4.960 4.261 4.225 4.308 . 0 0 "[ . 1 . 2]" 1 541 2 98 PHE HE1 2 99 VAL H . . 4.940 5.016 4.981 5.031 0.091 9 0 "[ . 1 . 2]" 1 542 2 98 PHE HD1 2 99 VAL H . . 4.100 2.728 2.710 2.750 . 0 0 "[ . 1 . 2]" 1 543 2 99 VAL H 2 100 ILE HA . . 5.500 5.269 5.252 5.302 . 0 0 "[ . 1 . 2]" 1 544 2 99 VAL H 2 101 THR HB . . 5.500 5.611 5.570 5.637 0.137 14 0 "[ . 1 . 2]" 1 545 2 98 PHE HB3 2 99 VAL H . . 3.670 2.799 2.757 2.848 . 0 0 "[ . 1 . 2]" 1 546 2 95 GLN QB 2 99 VAL H . . 5.500 5.260 5.213 5.323 . 0 0 "[ . 1 . 2]" 1 547 2 99 VAL H 2 99 VAL HB . . 3.140 2.313 2.292 2.348 . 0 0 "[ . 1 . 2]" 1 548 2 99 VAL H 2 99 VAL QG . . 3.310 2.278 2.233 2.348 . 0 0 "[ . 1 . 2]" 1 549 2 97 TYR HD2 2 99 VAL H . . 5.500 5.498 5.402 5.591 0.091 16 0 "[ . 1 . 2]" 1 550 2 28 ILE H 2 31 LYS QE . . 5.500 5.250 4.163 5.550 0.050 12 0 "[ . 1 . 2]" 1 551 2 76 ILE H 2 77 LEU HA . . 5.400 5.262 5.202 5.323 . 0 0 "[ . 1 . 2]" 1 552 2 76 ILE H 2 77 LEU H . . 3.410 2.649 2.571 2.742 . 0 0 "[ . 1 . 2]" 1 553 2 75 LYS H 2 76 ILE H . . 3.290 2.444 2.338 2.535 . 0 0 "[ . 1 . 2]" 1 554 2 74 ASP HA 2 76 ILE H . . 5.070 4.615 4.508 4.816 . 0 0 "[ . 1 . 2]" 1 555 2 76 ILE H 2 76 ILE HB . . 3.240 2.313 2.255 2.383 . 0 0 "[ . 1 . 2]" 1 556 2 76 ILE H 2 76 ILE HG12 . . 3.350 2.345 2.175 2.478 . 0 0 "[ . 1 . 2]" 1 557 2 76 ILE H 2 76 ILE MD . . 3.840 3.609 3.423 3.762 . 0 0 "[ . 1 . 2]" 1 558 2 76 ILE H 2 102 LEU QD . . 5.120 5.032 4.812 5.129 0.009 17 0 "[ . 1 . 2]" 1 559 2 66 MET H 2 68 HIS H . . 4.430 3.972 3.855 4.064 . 0 0 "[ . 1 . 2]" 1 560 2 67 LYS H 2 68 HIS H . . 3.250 2.511 2.430 2.531 . 0 0 "[ . 1 . 2]" 1 561 2 65 LEU HA 2 68 HIS H . . 3.730 3.189 3.124 3.286 . 0 0 "[ . 1 . 2]" 1 562 2 68 HIS H 2 68 HIS HB2 . . 3.260 2.228 2.144 2.272 . 0 0 "[ . 1 . 2]" 1 563 2 22 GLU H 2 25 LYS H . . 5.460 5.452 5.407 5.496 0.036 11 0 "[ . 1 . 2]" 1 564 2 25 LYS H 2 27 GLU H . . 4.520 4.381 4.331 4.414 . 0 0 "[ . 1 . 2]" 1 565 2 25 LYS H 2 26 GLU H . . 3.090 2.531 2.503 2.548 . 0 0 "[ . 1 . 2]" 1 566 2 25 LYS H 2 25 LYS HA . . 2.890 2.903 2.896 2.910 0.020 16 0 "[ . 1 . 2]" 1 567 2 25 LYS H 2 25 LYS QE . . 4.300 2.601 2.540 2.649 . 0 0 "[ . 1 . 2]" 1 568 2 25 LYS H 2 26 GLU QB . . 4.490 4.263 4.231 4.299 . 0 0 "[ . 1 . 2]" 1 569 2 25 LYS H 2 25 LYS HD2 . . 2.870 1.785 1.766 1.810 . 0 0 "[ . 1 . 2]" 1 570 2 24 ILE MG 2 25 LYS H . . 2.950 2.863 2.798 2.893 . 0 0 "[ . 1 . 2]" 1 571 2 25 LYS H 2 28 ILE MD . . 4.470 4.456 4.385 4.500 0.030 18 0 "[ . 1 . 2]" 1 572 2 24 ILE H 2 25 LYS H . . 3.140 2.765 2.744 2.792 . 0 0 "[ . 1 . 2]" 1 573 2 23 LYS H 2 25 LYS H . . 4.550 4.438 4.393 4.493 . 0 0 "[ . 1 . 2]" 1 574 2 24 ILE HB 2 25 LYS H . . 3.010 2.808 2.749 2.847 . 0 0 "[ . 1 . 2]" 1 575 2 25 LYS H 2 25 LYS HB3 . . 2.990 2.558 2.536 2.586 . 0 0 "[ . 1 . 2]" 1 576 2 25 LYS H 2 25 LYS HG2 . . 3.360 3.353 3.312 3.383 0.023 9 0 "[ . 1 . 2]" 1 577 2 64 TYR HD2 2 68 HIS H . . 5.500 5.537 5.499 5.588 0.088 15 0 "[ . 1 . 2]" 1 578 2 110 LYS H 2 111 LYS H . . 3.210 2.631 2.592 2.657 . 0 0 "[ . 1 . 2]" 1 579 2 111 LYS H 2 113 LEU H . . 3.990 4.027 3.991 4.048 0.058 17 0 "[ . 1 . 2]" 1 580 2 111 LYS H 2 112 TYR HD2 . . 5.500 5.555 5.528 5.571 0.071 2 0 "[ . 1 . 2]" 1 581 2 111 LYS H 2 112 TYR HA . . 5.200 5.026 4.999 5.043 . 0 0 "[ . 1 . 2]" 1 582 2 108 VAL HA 2 111 LYS H . . 3.980 3.940 3.785 4.059 0.079 20 0 "[ . 1 . 2]" 1 583 2 109 VAL HB 2 111 LYS H . . 5.500 5.234 5.024 5.716 0.216 19 0 "[ . 1 . 2]" 1 584 2 111 LYS H 2 114 GLU HB3 . . 5.500 4.854 4.798 4.907 . 0 0 "[ . 1 . 2]" 1 585 2 111 LYS H 2 111 LYS QB . . 2.630 2.527 2.477 2.573 . 0 0 "[ . 1 . 2]" 1 586 2 111 LYS H 2 111 LYS QG . . 3.000 2.178 2.120 2.289 . 0 0 "[ . 1 . 2]" 1 587 2 110 LYS HG3 2 111 LYS H . . 3.520 2.780 2.701 2.914 . 0 0 "[ . 1 . 2]" 1 588 2 110 LYS QB 2 111 LYS H . . 3.610 3.617 3.590 3.645 0.035 7 0 "[ . 1 . 2]" 1 589 2 41 ILE H 2 41 ILE HB . . 3.070 2.368 2.302 2.437 . 0 0 "[ . 1 . 2]" 1 590 2 40 ILE HB 2 41 ILE H . . 3.280 2.852 2.804 2.896 . 0 0 "[ . 1 . 2]" 1 591 2 28 ILE MG 2 41 ILE H . . 4.660 4.309 4.017 4.434 . 0 0 "[ . 1 . 2]" 1 592 2 37 ILE MD 2 41 ILE H . . 4.650 4.578 3.980 4.761 0.111 10 0 "[ . 1 . 2]" 1 593 2 40 ILE H 2 41 ILE H . . 3.390 2.570 2.352 2.662 . 0 0 "[ . 1 . 2]" 1 594 2 41 ILE H 2 41 ILE QG . . 3.030 2.385 2.302 2.455 . 0 0 "[ . 1 . 2]" 1 595 2 40 ILE H 2 40 ILE MG . . 3.870 3.724 3.707 3.748 . 0 0 "[ . 1 . 2]" 1 596 2 74 ASP HA 2 77 LEU H . . 4.210 3.857 3.626 4.182 . 0 0 "[ . 1 . 2]" 1 597 2 76 ILE HB 2 77 LEU H . . 3.410 2.815 2.597 2.998 . 0 0 "[ . 1 . 2]" 1 598 2 77 LEU H 2 77 LEU QB . . 2.750 2.237 2.206 2.284 . 0 0 "[ . 1 . 2]" 1 599 2 77 LEU H 2 102 LEU QD . . 5.500 5.061 4.915 5.160 . 0 0 "[ . 1 . 2]" 1 600 2 77 LEU H 2 77 LEU QD . . 4.600 3.712 3.651 3.760 . 0 0 "[ . 1 . 2]" 1 601 2 43 GLU H 2 44 ASN H . . 4.810 4.434 4.412 4.466 . 0 0 "[ . 1 . 2]" 1 602 2 43 GLU H 2 43 GLU HB3 . . 4.040 2.889 2.794 2.957 . 0 0 "[ . 1 . 2]" 1 603 2 39 GLU HA 2 43 GLU H . . 5.500 4.625 4.236 5.084 . 0 0 "[ . 1 . 2]" 1 604 2 39 GLU HA 2 42 CYS H . . 4.540 3.453 2.980 3.846 . 0 0 "[ . 1 . 2]" 1 605 2 41 ILE H 2 42 CYS H . . 2.980 2.441 2.296 2.543 . 0 0 "[ . 1 . 2]" 1 606 2 40 ILE H 2 42 CYS H . . 5.500 3.904 3.728 3.988 . 0 0 "[ . 1 . 2]" 1 607 2 41 ILE HB 2 42 CYS H . . 3.040 3.028 2.937 3.095 0.055 9 0 "[ . 1 . 2]" 1 608 2 40 ILE HB 2 42 CYS H . . 4.930 5.007 4.974 5.044 0.114 6 0 "[ . 1 . 2]" 1 609 2 41 ILE QG 2 42 CYS H . . 4.300 4.262 4.195 4.323 0.023 9 0 "[ . 1 . 2]" 1 610 2 28 ILE MG 2 42 CYS H . . 4.770 4.705 4.274 4.817 0.047 6 0 "[ . 1 . 2]" 1 611 2 40 ILE H 2 40 ILE HB . . 3.390 2.345 2.306 2.392 . 0 0 "[ . 1 . 2]" 1 612 2 39 GLU QG 2 40 ILE H . . 4.680 4.070 3.727 4.291 . 0 0 "[ . 1 . 2]" 1 613 2 74 ASP H 2 77 LEU H . . 4.850 4.734 4.645 4.830 . 0 0 "[ . 1 . 2]" 1 614 2 74 ASP H 2 76 ILE H . . 4.580 3.990 3.913 4.095 . 0 0 "[ . 1 . 2]" 1 615 2 74 ASP H 2 75 LYS H . . 2.940 2.589 2.481 2.714 . 0 0 "[ . 1 . 2]" 1 616 2 72 ASP HA 2 74 ASP H . . 4.640 4.117 3.976 4.390 . 0 0 "[ . 1 . 2]" 1 617 2 73 PRO QD 2 74 ASP H . . 3.710 2.875 2.662 3.025 . 0 0 "[ . 1 . 2]" 1 618 2 74 ASP H 2 74 ASP HB3 . . 3.660 3.027 2.299 3.601 . 0 0 "[ . 1 . 2]" 1 619 2 73 PRO QB 2 74 ASP H . . 4.070 3.111 2.716 3.396 . 0 0 "[ . 1 . 2]" 1 620 2 87 LYS H 2 88 GLU H . . 3.980 1.886 1.832 2.012 . 0 0 "[ . 1 . 2]" 1 621 2 85 LYS HA 2 87 LYS H . . 4.510 3.526 3.366 3.826 . 0 0 "[ . 1 . 2]" 1 622 2 77 LEU H 2 78 GLU H . . 3.330 2.448 2.316 2.563 . 0 0 "[ . 1 . 2]" 1 623 2 76 ILE H 2 78 GLU H . . 4.660 4.035 3.878 4.122 . 0 0 "[ . 1 . 2]" 1 624 2 78 GLU H 2 79 LEU H . . 3.100 2.476 2.378 2.550 . 0 0 "[ . 1 . 2]" 1 625 2 75 LYS HA 2 78 GLU H . . 4.010 3.546 3.271 3.828 . 0 0 "[ . 1 . 2]" 1 626 2 77 LEU QD 2 78 GLU H . . 4.730 4.177 4.113 4.272 . 0 0 "[ . 1 . 2]" 1 627 2 78 GLU H 2 78 GLU HB3 . . 2.970 2.343 2.311 2.425 . 0 0 "[ . 1 . 2]" 1 628 2 76 ILE HB 2 78 GLU H . . 5.260 5.006 4.779 5.134 . 0 0 "[ . 1 . 2]" 1 629 2 78 GLU H 2 79 LEU QD . . 5.500 4.406 4.348 4.449 . 0 0 "[ . 1 . 2]" 1 630 2 81 PRO HA 2 82 ARG H . . 2.840 2.325 2.268 2.453 . 0 0 "[ . 1 . 2]" 1 631 2 46 THR HB 2 82 ARG H . . 5.450 5.449 5.239 5.571 0.121 15 0 "[ . 1 . 2]" 1 632 2 82 ARG H 2 82 ARG QD . . 3.690 2.072 1.648 3.258 . 0 0 "[ . 1 . 2]" 1 633 2 81 PRO HB3 2 82 ARG H . . 3.920 3.659 3.517 3.722 . 0 0 "[ . 1 . 2]" 1 634 2 81 PRO HB2 2 82 ARG H . . 2.950 2.858 2.505 2.991 0.041 13 0 "[ . 1 . 2]" 1 635 2 82 ARG H 2 82 ARG HB3 . . 3.070 2.591 2.433 2.965 . 0 0 "[ . 1 . 2]" 1 636 2 13 VAL H 2 15 ARG H . . 4.440 3.915 3.861 4.052 . 0 0 "[ . 1 . 2]" 1 637 2 12 LEU H 2 15 ARG H . . 5.270 4.851 4.813 5.048 . 0 0 "[ . 1 . 2]" 1 638 2 15 ARG H 2 16 ASP HA . . 4.750 4.792 4.672 4.849 0.099 7 0 "[ . 1 . 2]" 1 639 2 14 LYS HA 2 15 ARG H . . 3.460 3.484 3.462 3.505 0.045 20 0 "[ . 1 . 2]" 1 640 2 11 GLU HA 2 15 ARG H . . 4.840 4.466 4.368 4.566 . 0 0 "[ . 1 . 2]" 1 641 2 12 LEU HA 2 15 ARG H . . 3.830 3.501 3.436 3.678 . 0 0 "[ . 1 . 2]" 1 642 2 15 ARG H 2 16 ASP QB . . 4.030 3.940 3.846 3.980 . 0 0 "[ . 1 . 2]" 1 643 2 15 ARG H 2 15 ARG QB . . 3.130 2.350 2.295 2.594 . 0 0 "[ . 1 . 2]" 1 644 2 14 LYS QB 2 15 ARG H . . 3.930 3.699 3.640 3.746 . 0 0 "[ . 1 . 2]" 1 645 2 15 ARG H 2 15 ARG QG . . 2.900 2.584 2.351 2.650 . 0 0 "[ . 1 . 2]" 1 646 2 14 LYS HG2 2 15 ARG H . . 4.070 4.049 3.965 4.098 0.028 9 0 "[ . 1 . 2]" 1 647 2 12 LEU QD 2 15 ARG H . . 5.230 4.832 4.769 4.978 . 0 0 "[ . 1 . 2]" 1 648 2 10 LYS H 2 12 LEU QD . . 5.390 5.149 5.088 5.195 . 0 0 "[ . 1 . 2]" 1 649 2 10 LYS H 2 12 LEU H . . 4.270 3.993 3.943 4.031 . 0 0 "[ . 1 . 2]" 1 650 2 8 LEU H 2 10 LYS H . . 4.360 3.924 3.851 3.958 . 0 0 "[ . 1 . 2]" 1 651 2 7 GLU HA 2 10 LYS H . . 3.680 3.559 3.500 3.621 . 0 0 "[ . 1 . 2]" 1 652 2 10 LYS H 2 11 GLU QB . . 4.570 4.417 4.369 4.490 . 0 0 "[ . 1 . 2]" 1 653 2 10 LYS H 2 10 LYS HB3 . . 3.010 2.329 2.307 2.356 . 0 0 "[ . 1 . 2]" 1 654 2 9 ARG HB2 2 10 LYS H . . 4.170 4.081 4.046 4.123 . 0 0 "[ . 1 . 2]" 1 655 2 29 CYS H 2 29 CYS QB . . 3.230 2.273 2.206 2.369 . 0 0 "[ . 1 . 2]" 1 656 2 26 GLU QB 2 29 CYS H . . 5.400 5.128 5.004 5.247 . 0 0 "[ . 1 . 2]" 1 657 2 27 GLU HG3 2 29 CYS H . . 5.500 5.199 4.832 5.283 . 0 0 "[ . 1 . 2]" 1 658 2 28 ILE HB 2 29 CYS H . . 3.660 2.841 2.702 3.009 . 0 0 "[ . 1 . 2]" 1 659 2 29 CYS H 2 41 ILE MG . . 4.330 3.757 3.342 4.047 . 0 0 "[ . 1 . 2]" 1 660 2 28 ILE MG 2 29 CYS H . . 3.520 3.303 3.199 3.534 0.014 19 0 "[ . 1 . 2]" 1 661 2 59 TRP QB 2 60 HIS H . . 3.810 2.570 2.502 2.606 . 0 0 "[ . 1 . 2]" 1 662 2 60 HIS H 2 60 HIS HB2 . . 3.680 2.331 2.300 2.363 . 0 0 "[ . 1 . 2]" 1 663 2 60 HIS H 2 60 HIS HB3 . . 3.680 3.556 3.537 3.574 . 0 0 "[ . 1 . 2]" 1 664 2 60 HIS H 2 61 VAL HB . . 5.060 4.722 4.654 4.795 . 0 0 "[ . 1 . 2]" 1 665 2 52 ILE MD 2 60 HIS H . . 5.360 4.844 4.641 5.156 . 0 0 "[ . 1 . 2]" 1 666 2 31 LYS HB2 2 32 SER H . . 4.770 3.478 3.319 3.626 . 0 0 "[ . 1 . 2]" 1 667 2 54 ARG H 2 55 SER H . . 4.290 2.731 2.696 2.816 . 0 0 "[ . 1 . 2]" 1 668 2 55 SER H 2 57 GLY H . . 4.780 3.957 3.887 4.044 . 0 0 "[ . 1 . 2]" 1 669 2 43 GLU HB3 2 44 ASN H . . 5.020 3.621 3.540 3.706 . 0 0 "[ . 1 . 2]" 1 670 2 44 ASN H 2 45 LYS HG2 . . 5.220 3.929 3.872 4.063 . 0 0 "[ . 1 . 2]" 1 671 2 82 ARG HA 2 84 SER H . . 4.780 3.607 3.451 3.777 . 0 0 "[ . 1 . 2]" 1 672 2 82 ARG H 2 84 SER H . . 4.740 4.255 4.201 4.339 . 0 0 "[ . 1 . 2]" 1 673 2 84 SER H 2 86 ALA H . . 5.410 4.811 4.657 4.960 . 0 0 "[ . 1 . 2]" 1 674 2 84 SER H 2 84 SER QB . . 3.620 2.286 2.233 2.399 . 0 0 "[ . 1 . 2]" 1 675 2 81 PRO HB3 2 84 SER H . . 5.500 4.781 4.638 5.151 . 0 0 "[ . 1 . 2]" 1 676 2 46 THR MG 2 84 SER H . . 5.200 5.215 4.882 5.284 0.084 19 0 "[ . 1 . 2]" 1 677 2 102 LEU H 2 103 SER H . . 3.280 2.548 2.501 2.573 . 0 0 "[ . 1 . 2]" 1 678 2 103 SER H 2 104 LYS H . . 3.480 2.690 2.640 2.726 . 0 0 "[ . 1 . 2]" 1 679 2 101 THR H 2 103 SER H . . 4.430 4.030 3.998 4.065 . 0 0 "[ . 1 . 2]" 1 680 2 103 SER H 2 103 SER HA . . 2.850 2.855 2.839 2.867 0.017 8 0 "[ . 1 . 2]" 1 681 2 103 SER H 2 104 LYS QB . . 5.100 4.650 4.437 4.712 . 0 0 "[ . 1 . 2]" 1 682 2 102 LEU QB 2 103 SER H . . 3.410 2.879 2.816 2.939 . 0 0 "[ . 1 . 2]" 1 683 2 8 LEU QD 2 103 SER H . . 4.370 2.928 2.825 3.043 . 0 0 "[ . 1 . 2]" 1 684 2 99 VAL QG 2 103 SER H . . 4.420 4.191 4.088 4.237 . 0 0 "[ . 1 . 2]" 1 685 2 102 LEU QD 2 103 SER H . . 3.950 3.965 3.952 3.990 0.040 2 0 "[ . 1 . 2]" 1 686 2 82 ARG H 2 83 ASP H . . 3.490 2.564 2.505 2.636 . 0 0 "[ . 1 . 2]" 1 687 2 83 ASP H 2 84 SER H . . 3.400 2.475 2.365 2.552 . 0 0 "[ . 1 . 2]" 1 688 2 81 PRO HA 2 83 ASP H . . 4.320 3.736 3.643 4.025 . 0 0 "[ . 1 . 2]" 1 689 2 46 THR HB 2 83 ASP H . . 5.500 5.586 5.527 5.664 0.164 1 0 "[ . 1 . 2]" 1 690 2 83 ASP H 2 84 SER QB . . 4.520 4.174 4.106 4.216 . 0 0 "[ . 1 . 2]" 1 691 2 81 PRO HB3 2 83 ASP H . . 4.340 3.682 3.575 3.895 . 0 0 "[ . 1 . 2]" 1 692 2 81 PRO HB2 2 83 ASP H . . 3.440 1.936 1.812 2.125 . 0 0 "[ . 1 . 2]" 1 693 2 82 ARG HB3 2 83 ASP H . . 4.490 4.299 4.175 4.502 0.012 4 0 "[ . 1 . 2]" 1 694 2 82 ARG HG3 2 83 ASP H . . 4.680 4.293 3.143 4.710 0.030 14 0 "[ . 1 . 2]" 1 695 2 46 THR MG 2 83 ASP H . . 4.500 3.873 3.741 3.979 . 0 0 "[ . 1 . 2]" 1 696 2 44 ASN HA 2 44 ASN HD21 . . 4.280 4.337 4.099 4.389 0.109 16 0 "[ . 1 . 2]" 1 697 2 107 SER H 2 110 LYS H . . 5.150 4.911 4.857 4.978 . 0 0 "[ . 1 . 2]" 1 698 2 12 LEU QD 2 107 SER H . . 5.500 5.507 5.455 5.549 0.049 11 0 "[ . 1 . 2]" 1 699 2 105 ALA H 2 107 SER H . . 4.380 4.108 3.989 4.236 . 0 0 "[ . 1 . 2]" 1 700 2 106 TRP H 2 107 SER H . . 3.180 2.497 2.450 2.535 . 0 0 "[ . 1 . 2]" 1 701 2 107 SER H 2 109 VAL H . . 4.340 4.162 4.096 4.222 . 0 0 "[ . 1 . 2]" 1 702 2 107 SER H 2 108 VAL H . . 3.350 2.606 2.554 2.662 . 0 0 "[ . 1 . 2]" 1 703 2 107 SER H 2 107 SER HA . . 2.910 2.864 2.849 2.880 . 0 0 "[ . 1 . 2]" 1 704 2 105 ALA HA 2 107 SER H . . 4.730 4.475 4.409 4.616 . 0 0 "[ . 1 . 2]" 1 705 2 106 TRP HB2 2 107 SER H . . 4.030 4.120 4.096 4.140 0.110 2 0 "[ . 1 . 2]" 1 706 2 107 SER H 2 108 VAL HB . . 5.130 4.693 4.520 4.917 . 0 0 "[ . 1 . 2]" 1 707 2 104 LYS QB 2 107 SER H . . 4.980 4.941 4.901 5.018 0.038 11 0 "[ . 1 . 2]" 1 708 2 107 SER H 2 108 VAL QG . . 4.300 4.037 3.967 4.090 . 0 0 "[ . 1 . 2]" 1 709 2 105 ALA MB 2 107 SER H . . 4.910 4.537 4.474 4.639 . 0 0 "[ . 1 . 2]" 1 710 2 8 LEU QD 2 107 SER H . . 4.930 4.419 4.348 4.490 . 0 0 "[ . 1 . 2]" 1 711 2 63 LEU MD2 2 107 SER H . . 5.500 5.290 5.212 5.383 . 0 0 "[ . 1 . 2]" 1 712 2 44 ASN HA 2 44 ASN HD22 . . 4.280 3.905 3.344 4.093 . 0 0 "[ . 1 . 2]" 1 713 2 51 ASN HD22 2 52 ILE H . . 5.150 5.122 4.573 5.304 0.154 1 0 "[ . 1 . 2]" 1 714 2 51 ASN HA 2 51 ASN HD22 . . 4.420 3.532 2.084 4.193 . 0 0 "[ . 1 . 2]" 1 715 2 16 ASP H 2 18 GLY H . . 5.500 5.268 5.159 5.411 . 0 0 "[ . 1 . 2]" 1 716 2 18 GLY H 2 19 LYS HA . . 5.020 5.136 5.082 5.177 0.157 1 0 "[ . 1 . 2]" 1 717 2 18 GLY H 2 19 LYS QB . . 4.690 4.571 4.467 4.723 0.033 13 0 "[ . 1 . 2]" 1 718 2 17 SER H 2 18 GLY H . . 3.680 2.423 2.278 2.492 . 0 0 "[ . 1 . 2]" 1 719 2 18 GLY H 2 19 LYS QE . . 4.920 4.767 4.517 4.975 0.055 19 0 "[ . 1 . 2]" 1 720 2 16 ASP QB 2 18 GLY H . . 3.940 3.258 3.110 3.454 . 0 0 "[ . 1 . 2]" 1 721 2 18 GLY H 2 19 LYS QG . . 5.300 4.273 3.876 5.166 . 0 0 "[ . 1 . 2]" 1 722 2 49 ASP QB 2 50 VAL H . . 3.170 2.791 2.727 2.893 . 0 0 "[ . 1 . 2]" 1 723 2 46 THR H 2 50 VAL H . . 5.350 5.420 5.356 5.475 0.125 4 0 "[ . 1 . 2]" 1 724 2 47 TYR HA 2 50 VAL H . . 3.760 3.503 3.417 3.566 . 0 0 "[ . 1 . 2]" 1 725 2 48 ALA HA 2 50 VAL H . . 4.250 4.051 3.921 4.142 . 0 0 "[ . 1 . 2]" 1 726 2 50 VAL H 2 50 VAL HB . . 3.780 3.751 3.707 3.785 0.005 6 0 "[ . 1 . 2]" 1 727 2 50 VAL H 2 50 VAL MG1 . . 3.130 2.626 2.541 2.804 . 0 0 "[ . 1 . 2]" 1 728 2 50 VAL H 2 52 ILE MG . . 4.300 3.885 3.820 3.931 . 0 0 "[ . 1 . 2]" 1 729 2 95 GLN H 2 95 GLN HE22 . . 5.290 4.646 4.576 4.817 . 0 0 "[ . 1 . 2]" 1 730 2 95 GLN HE22 2 95 GLN QG . . 3.360 2.313 2.304 2.320 . 0 0 "[ . 1 . 2]" 1 731 2 95 GLN QB 2 95 GLN HE22 . . 4.570 3.966 3.961 3.972 . 0 0 "[ . 1 . 2]" 1 732 2 95 GLN HE22 2 96 LYS QB . . 4.750 4.010 3.819 4.118 . 0 0 "[ . 1 . 2]" 1 733 2 70 VAL H 2 71 THR H . . 4.640 2.619 2.328 2.828 . 0 0 "[ . 1 . 2]" 1 734 2 16 ASP H 2 71 THR H . . 5.090 5.237 5.197 5.277 0.187 4 0 "[ . 1 . 2]" 1 735 2 16 ASP HA 2 71 THR H . . 3.980 3.197 3.070 3.288 . 0 0 "[ . 1 . 2]" 1 736 2 70 VAL HA 2 71 THR H . . 2.940 2.986 2.889 3.018 0.078 5 0 "[ . 1 . 2]" 1 737 2 66 MET HA 2 71 THR H . . 4.260 3.470 3.385 3.640 . 0 0 "[ . 1 . 2]" 1 738 2 16 ASP QB 2 71 THR H . . 4.550 4.365 4.194 4.485 . 0 0 "[ . 1 . 2]" 1 739 2 71 THR H 2 71 THR MG . . 3.070 1.942 1.839 2.026 . 0 0 "[ . 1 . 2]" 1 740 2 12 LEU QD 2 71 THR H . . 5.450 4.785 4.708 4.852 . 0 0 "[ . 1 . 2]" 1 741 2 29 CYS H 2 30 THR H . . 3.250 2.570 2.505 2.638 . 0 0 "[ . 1 . 2]" 1 742 2 30 THR H 2 31 LYS H . . 2.880 2.361 2.052 2.485 . 0 0 "[ . 1 . 2]" 1 743 2 26 GLU HA 2 30 THR H . . 5.040 4.558 4.295 5.120 0.080 15 0 "[ . 1 . 2]" 1 744 2 27 GLU HA 2 30 THR H . . 4.380 3.738 3.572 3.925 . 0 0 "[ . 1 . 2]" 1 745 2 29 CYS QB 2 30 THR H . . 3.610 3.124 2.934 3.462 . 0 0 "[ . 1 . 2]" 1 746 2 30 THR H 2 31 LYS QD . . 5.500 5.199 4.866 5.592 0.092 5 0 "[ . 1 . 2]" 1 747 2 28 ILE HA 2 30 THR H . . 4.420 4.070 3.650 4.225 . 0 0 "[ . 1 . 2]" 1 748 2 27 GLU QB 2 30 THR H . . 5.500 5.168 4.956 5.313 . 0 0 "[ . 1 . 2]" 1 749 2 30 THR H 2 30 THR MG . . 3.010 2.153 2.008 2.253 . 0 0 "[ . 1 . 2]" 1 750 2 28 ILE MG 2 30 THR H . . 4.680 4.674 4.538 4.740 0.060 20 0 "[ . 1 . 2]" 1 751 2 57 GLY H 2 58 ASP H . . 4.010 2.710 2.671 2.770 . 0 0 "[ . 1 . 2]" 1 752 2 54 ARG HA 2 57 GLY H . . 5.470 3.229 3.039 3.467 . 0 0 "[ . 1 . 2]" 1 753 2 56 ARG HB2 2 57 GLY H . . 4.220 3.015 2.909 3.126 . 0 0 "[ . 1 . 2]" 1 754 2 52 ILE MD 2 57 GLY H . . 4.190 3.651 3.552 3.879 . 0 0 "[ . 1 . 2]" 1 755 2 40 ILE HA 2 46 THR H . . 5.070 4.964 4.801 5.079 0.009 9 0 "[ . 1 . 2]" 1 756 2 46 THR H 2 49 ASP QB . . 4.190 3.922 3.811 4.024 . 0 0 "[ . 1 . 2]" 1 757 2 45 LYS HE2 2 46 THR H . . 5.500 4.462 4.031 5.534 0.034 18 0 "[ . 1 . 2]" 1 758 2 45 LYS HB2 2 46 THR H . . 3.660 3.353 3.261 3.554 . 0 0 "[ . 1 . 2]" 1 759 2 46 THR H 2 48 ALA MB . . 3.990 3.712 3.610 3.822 . 0 0 "[ . 1 . 2]" 1 760 2 46 THR H 2 50 VAL MG2 . . 5.430 5.425 5.325 5.463 0.033 14 0 "[ . 1 . 2]" 1 761 2 40 ILE MG 2 46 THR H . . 4.660 4.251 4.080 4.523 . 0 0 "[ . 1 . 2]" 1 762 2 46 THR H 2 46 THR HB . . 3.790 3.577 3.240 3.632 . 0 0 "[ . 1 . 2]" 1 763 2 66 MET H 2 69 GLY H . . 5.500 4.943 4.830 5.139 . 0 0 "[ . 1 . 2]" 1 764 2 69 GLY H 2 70 VAL H . . 2.920 2.555 2.523 2.614 . 0 0 "[ . 1 . 2]" 1 765 2 67 LYS H 2 69 GLY H . . 4.150 3.877 3.808 3.987 . 0 0 "[ . 1 . 2]" 1 766 2 68 HIS H 2 69 GLY H . . 3.150 2.532 2.473 2.639 . 0 0 "[ . 1 . 2]" 1 767 2 68 HIS HA 2 69 GLY H . . 3.510 3.402 3.366 3.423 . 0 0 "[ . 1 . 2]" 1 768 2 66 MET HA 2 69 GLY H . . 3.950 3.369 3.250 3.625 . 0 0 "[ . 1 . 2]" 1 769 2 68 HIS HB2 2 69 GLY H . . 4.070 3.513 3.424 3.665 . 0 0 "[ . 1 . 2]" 1 770 2 16 ASP QB 2 72 ASP H . . 5.500 5.259 5.180 5.355 . 0 0 "[ . 1 . 2]" 1 771 2 16 ASP QB 2 72 ASP HA . . 4.920 4.043 3.908 4.322 . 0 0 "[ . 1 . 2]" 1 772 2 13 VAL MG2 2 16 ASP QB . . 4.640 3.685 3.609 3.732 . 0 0 "[ . 1 . 2]" 1 773 2 16 ASP QB 2 71 THR MG . . 4.190 3.536 3.214 3.641 . 0 0 "[ . 1 . 2]" 1 774 2 98 PHE HE1 2 102 LEU QB . . 5.190 3.597 3.520 3.670 . 0 0 "[ . 1 . 2]" 1 775 2 15 ARG HD3 2 106 TRP HZ2 . . 4.070 4.056 3.968 4.309 0.239 5 0 "[ . 1 . 2]" 1 776 2 79 LEU HB3 2 79 LEU QD . . 2.930 2.147 2.134 2.167 . 0 0 "[ . 1 . 2]" 1 777 2 78 GLU H 2 79 LEU HB3 . . 5.310 4.762 4.572 4.913 . 0 0 "[ . 1 . 2]" 1 778 2 101 THR HB 2 102 LEU QB . . 4.680 4.375 4.331 4.398 . 0 0 "[ . 1 . 2]" 1 779 2 45 LYS HE3 2 46 THR H . . 5.500 5.261 4.329 5.575 0.075 3 0 "[ . 1 . 2]" 1 780 2 72 ASP H 2 72 ASP HB3 . . 3.970 3.062 2.962 3.715 . 0 0 "[ . 1 . 2]" 1 781 2 110 LYS HA 2 113 LEU QB . . 4.310 4.326 4.289 4.347 0.037 18 0 "[ . 1 . 2]" 1 782 2 113 LEU QB 2 113 LEU QD . . 2.860 1.885 1.878 1.893 . 0 0 "[ . 1 . 2]" 1 783 2 112 TYR H 2 113 LEU QB . . 4.980 4.859 4.822 4.893 . 0 0 "[ . 1 . 2]" 1 784 2 51 ASN H 2 52 ILE HB . . 5.500 5.070 4.963 5.171 . 0 0 "[ . 1 . 2]" 1 785 2 52 ILE HB 2 57 GLY H . . 5.500 5.537 5.505 5.577 0.077 6 0 "[ . 1 . 2]" 1 786 2 45 LYS HG2 2 49 ASP QB . . 4.230 3.712 3.623 3.816 . 0 0 "[ . 1 . 2]" 1 787 2 48 ALA MB 2 49 ASP QB . . 4.340 4.058 3.927 4.125 . 0 0 "[ . 1 . 2]" 1 788 2 19 LYS QG 2 23 LYS QE . . 4.770 4.702 3.942 4.803 0.033 15 0 "[ . 1 . 2]" 1 789 2 14 LYS QE 2 15 ARG HA . . 5.500 4.702 3.790 5.395 . 0 0 "[ . 1 . 2]" 1 790 2 23 LYS QE 2 27 GLU HA . . 5.350 5.386 5.198 5.427 0.077 4 0 "[ . 1 . 2]" 1 791 2 10 LYS QD 2 10 LYS QE . . 2.400 2.104 2.016 2.122 . 0 0 "[ . 1 . 2]" 1 792 2 10 LYS QE 2 10 LYS HG3 . . 3.310 2.549 2.419 3.038 . 0 0 "[ . 1 . 2]" 1 793 2 10 LYS H 2 10 LYS QE . . 4.220 3.727 3.645 3.886 . 0 0 "[ . 1 . 2]" 1 794 2 22 GLU HA 2 25 LYS QE . . 3.220 2.250 2.139 2.323 . 0 0 "[ . 1 . 2]" 1 795 2 111 LYS H 2 111 LYS QE . . 5.000 3.983 3.497 4.696 . 0 0 "[ . 1 . 2]" 1 796 2 111 LYS QE 2 111 LYS QG . . 2.930 2.459 2.332 2.860 . 0 0 "[ . 1 . 2]" 1 797 2 63 LEU HB2 2 63 LEU MD1 . . 3.610 2.313 2.285 2.352 . 0 0 "[ . 1 . 2]" 1 798 2 45 LYS H 2 49 ASP QB . . 5.500 4.788 4.631 4.950 . 0 0 "[ . 1 . 2]" 1 799 2 46 THR HA 2 49 ASP QB . . 5.330 5.352 5.041 5.439 0.109 18 0 "[ . 1 . 2]" 1 800 2 49 ASP QB 2 50 VAL MG1 . . 4.220 2.714 2.400 3.026 . 0 0 "[ . 1 . 2]" 1 801 2 31 LYS H 2 31 LYS QE . . 5.150 4.517 3.844 4.753 . 0 0 "[ . 1 . 2]" 1 802 2 106 TRP HZ2 2 110 LYS QE . . 4.930 3.955 3.079 5.092 0.162 6 0 "[ . 1 . 2]" 1 803 2 106 TRP HD1 2 110 LYS QE . . 4.800 4.088 3.558 4.879 0.079 5 0 "[ . 1 . 2]" 1 804 2 110 LYS QE 2 110 LYS HG2 . . 3.520 3.182 2.506 3.526 0.006 3 0 "[ . 1 . 2]" 1 805 2 74 ASP H 2 77 LEU QB . . 5.500 4.987 4.823 5.121 . 0 0 "[ . 1 . 2]" 1 806 2 76 ILE H 2 77 LEU QB . . 4.650 4.403 4.310 4.497 . 0 0 "[ . 1 . 2]" 1 807 2 77 LEU QB 2 98 PHE HD2 . . 4.380 3.423 3.079 3.650 . 0 0 "[ . 1 . 2]" 1 808 2 77 LEU QB 2 78 GLU H . . 3.350 2.910 2.840 3.014 . 0 0 "[ . 1 . 2]" 1 809 2 77 LEU QB 2 78 GLU HA . . 4.480 4.223 4.137 4.306 . 0 0 "[ . 1 . 2]" 1 810 2 67 LYS H 2 67 LYS HE3 . . 5.100 4.543 3.887 4.658 . 0 0 "[ . 1 . 2]" 1 811 2 67 LYS HE3 2 112 TYR HE2 . . 5.500 4.494 4.148 4.733 . 0 0 "[ . 1 . 2]" 1 812 2 28 ILE MG 2 29 CYS QB . . 5.100 4.029 3.518 4.700 . 0 0 "[ . 1 . 2]" 1 813 2 8 LEU HB2 2 9 ARG H . . 4.190 3.925 3.907 3.943 . 0 0 "[ . 1 . 2]" 1 814 2 8 LEU H 2 8 LEU HB2 . . 3.610 2.556 2.531 2.572 . 0 0 "[ . 1 . 2]" 1 815 2 8 LEU HB2 2 98 PHE HE1 . . 5.340 4.905 4.706 5.068 . 0 0 "[ . 1 . 2]" 1 816 2 7 GLU QB 2 8 LEU HB2 . . 4.510 4.105 4.053 4.179 . 0 0 "[ . 1 . 2]" 1 817 2 25 LYS HG3 2 29 CYS QB . . 5.500 5.291 4.962 5.640 0.140 2 0 "[ . 1 . 2]" 1 818 2 58 ASP QB 2 62 ILE MD . . 4.010 2.680 2.563 2.777 . 0 0 "[ . 1 . 2]" 1 819 2 58 ASP QB 2 62 ILE MG . . 5.500 5.253 5.161 5.297 . 0 0 "[ . 1 . 2]" 1 820 2 65 LEU HB2 2 66 MET H . . 4.340 2.881 2.834 2.979 . 0 0 "[ . 1 . 2]" 1 821 2 65 LEU H 2 65 LEU HB2 . . 4.020 2.500 2.485 2.518 . 0 0 "[ . 1 . 2]" 1 822 2 74 ASP H 2 74 ASP HB2 . . 3.660 2.551 2.387 3.612 . 0 0 "[ . 1 . 2]" 1 823 2 74 ASP HB2 2 75 LYS H . . 4.180 3.340 2.750 4.043 . 0 0 "[ . 1 . 2]" 1 824 2 97 TYR HD2 2 98 PHE HB2 . . 5.190 3.442 3.323 3.565 . 0 0 "[ . 1 . 2]" 1 825 2 98 PHE H 2 98 PHE HB2 . . 4.160 2.723 2.698 2.750 . 0 0 "[ . 1 . 2]" 1 826 2 98 PHE HB2 2 99 VAL H . . 4.440 4.106 4.081 4.138 . 0 0 "[ . 1 . 2]" 1 827 2 12 LEU HB2 2 72 ASP HA . . 4.670 3.368 2.911 3.527 . 0 0 "[ . 1 . 2]" 1 828 2 64 TYR QB 2 65 LEU MD2 . . 4.770 3.678 3.576 3.790 . 0 0 "[ . 1 . 2]" 1 829 2 61 VAL MG1 2 64 TYR QB . . 4.950 3.757 3.654 3.892 . 0 0 "[ . 1 . 2]" 1 830 2 64 TYR QB 2 65 LEU HA . . 4.350 4.393 4.334 4.443 0.093 3 0 "[ . 1 . 2]" 1 831 2 37 ILE MD 2 64 TYR QB . . 3.640 2.208 2.120 2.261 . 0 0 "[ . 1 . 2]" 1 832 2 5 PHE HB3 2 6 GLU H . . 4.530 3.188 3.132 3.230 . 0 0 "[ . 1 . 2]" 1 833 2 5 PHE HB3 2 98 PHE HE1 . . 4.590 4.405 4.367 4.446 . 0 0 "[ . 1 . 2]" 1 834 2 4 GLU QB 2 5 PHE HB3 . . 4.720 4.397 4.338 4.443 . 0 0 "[ . 1 . 2]" 1 835 2 5 PHE HB3 2 99 VAL QG . . 5.500 2.862 2.729 2.975 . 0 0 "[ . 1 . 2]" 1 836 2 28 ILE HB 2 29 CYS HA . . 5.500 4.516 4.419 4.627 . 0 0 "[ . 1 . 2]" 1 837 2 27 GLU HG3 2 28 ILE HB . . 5.500 4.324 4.029 4.462 . 0 0 "[ . 1 . 2]" 1 838 2 28 ILE HB 2 64 TYR HE2 . . 5.000 4.528 4.169 4.774 . 0 0 "[ . 1 . 2]" 1 839 2 24 ILE HA 2 28 ILE HB . . 5.500 5.175 5.022 5.342 . 0 0 "[ . 1 . 2]" 1 840 2 28 ILE HB 2 41 ILE MG . . 3.560 2.240 2.091 2.381 . 0 0 "[ . 1 . 2]" 1 841 2 28 ILE HB 2 28 ILE MD . . 3.500 2.326 2.311 2.347 . 0 0 "[ . 1 . 2]" 1 842 2 94 THR HB 2 97 TYR QB . . 5.330 3.748 3.611 3.835 . 0 0 "[ . 1 . 2]" 1 843 2 75 LYS H 2 76 ILE HB . . 4.640 4.477 4.332 4.583 . 0 0 "[ . 1 . 2]" 1 844 2 76 ILE HB 2 76 ILE MD . . 3.390 3.249 3.242 3.254 . 0 0 "[ . 1 . 2]" 1 845 2 92 TRP HZ3 2 97 TYR QB . . 4.560 2.146 2.070 2.222 . 0 0 "[ . 1 . 2]" 1 846 2 112 TYR QB 2 112 TYR HE2 . . 4.480 4.436 4.426 4.454 . 0 0 "[ . 1 . 2]" 1 847 2 109 VAL HA 2 112 TYR QB . . 4.080 2.105 2.034 2.148 . 0 0 "[ . 1 . 2]" 1 848 2 111 LYS QB 2 112 TYR QB . . 4.870 4.836 4.803 4.863 . 0 0 "[ . 1 . 2]" 1 849 2 112 TYR QB 2 113 LEU QB . . 5.040 4.338 4.310 4.378 . 0 0 "[ . 1 . 2]" 1 850 2 23 LYS H 2 24 ILE HB . . 4.470 4.228 4.186 4.290 . 0 0 "[ . 1 . 2]" 1 851 2 21 VAL MG1 2 24 ILE HB . . 4.720 4.568 4.501 4.646 . 0 0 "[ . 1 . 2]" 1 852 2 24 ILE HB 2 26 GLU H . . 5.190 4.897 4.839 4.930 . 0 0 "[ . 1 . 2]" 1 853 2 76 ILE HB 2 102 LEU QD . . 4.820 3.338 3.074 3.469 . 0 0 "[ . 1 . 2]" 1 854 2 99 VAL H 2 100 ILE HB . . 5.500 4.685 4.636 4.733 . 0 0 "[ . 1 . 2]" 1 855 2 100 ILE H 2 100 ILE HB . . 3.530 2.284 2.262 2.310 . 0 0 "[ . 1 . 2]" 1 856 2 99 VAL QG 2 100 ILE HB . . 4.930 4.687 4.646 4.744 . 0 0 "[ . 1 . 2]" 1 857 2 40 ILE HB 2 41 ILE QG . . 4.090 3.282 3.109 3.435 . 0 0 "[ . 1 . 2]" 1 858 2 37 ILE MD 2 40 ILE HB . . 5.130 3.524 3.082 3.905 . 0 0 "[ . 1 . 2]" 1 859 2 62 ILE HB 2 101 THR MG . . 4.350 4.073 3.885 4.141 . 0 0 "[ . 1 . 2]" 1 860 2 62 ILE HB 2 102 LEU QD . . 5.000 4.499 4.387 4.632 . 0 0 "[ . 1 . 2]" 1 861 2 51 ASN H 2 51 ASN HB2 . . 4.060 3.490 2.936 3.986 . 0 0 "[ . 1 . 2]" 1 862 2 4 GLU QG 2 7 GLU H . . 5.500 5.504 5.396 5.700 0.200 13 0 "[ . 1 . 2]" 1 863 2 1 THR HA 2 4 GLU QG . . 5.000 3.691 2.917 4.446 . 0 0 "[ . 1 . 2]" 1 864 2 40 ILE HB 2 41 ILE HA . . 5.080 4.590 4.538 4.650 . 0 0 "[ . 1 . 2]" 1 865 2 24 ILE HA 2 27 GLU HG2 . . 4.420 2.481 2.413 2.725 . 0 0 "[ . 1 . 2]" 1 866 2 23 LYS QE 2 27 GLU HG2 . . 5.210 5.212 4.835 5.257 0.047 1 0 "[ . 1 . 2]" 1 867 2 27 GLU H 2 27 GLU HG2 . . 3.460 2.139 2.064 3.102 . 0 0 "[ . 1 . 2]" 1 868 2 27 GLU HA 2 27 GLU HG2 . . 4.010 3.758 3.717 4.193 0.183 13 0 "[ . 1 . 2]" 1 869 2 26 GLU H 2 27 GLU HG2 . . 5.030 4.064 3.962 5.046 0.016 13 0 "[ . 1 . 2]" 1 870 2 22 GLU QG 2 24 ILE H . . 4.750 4.434 4.416 4.468 . 0 0 "[ . 1 . 2]" 1 871 2 22 GLU QG 2 23 LYS H . . 3.520 2.538 2.516 2.552 . 0 0 "[ . 1 . 2]" 1 872 2 21 VAL HA 2 22 GLU QG . . 5.190 4.954 4.934 4.985 . 0 0 "[ . 1 . 2]" 1 873 2 22 GLU QG 2 23 LYS QE . . 4.590 4.435 4.346 4.508 . 0 0 "[ . 1 . 2]" 1 874 2 22 GLU QB 2 22 GLU QG . . 2.400 2.115 2.110 2.119 . 0 0 "[ . 1 . 2]" 1 875 2 22 GLU QG 2 25 LYS HD2 . . 4.950 4.989 4.969 5.014 0.064 10 0 "[ . 1 . 2]" 1 876 2 22 GLU QG 2 23 LYS HG2 . . 3.980 2.363 2.268 2.412 . 0 0 "[ . 1 . 2]" 1 877 2 21 VAL MG1 2 22 GLU QG . . 4.090 3.888 3.833 3.942 . 0 0 "[ . 1 . 2]" 1 878 2 20 PRO HG2 2 22 GLU QG . . 2.400 2.153 2.090 2.212 . 0 0 "[ . 1 . 2]" 1 879 2 6 GLU H 2 6 GLU QG . . 3.950 3.903 3.890 3.916 . 0 0 "[ . 1 . 2]" 1 880 2 6 GLU QG 2 10 LYS QE . . 5.500 5.333 5.207 5.441 . 0 0 "[ . 1 . 2]" 1 881 2 6 GLU QG 2 7 GLU H . . 3.230 3.292 3.244 3.342 0.112 11 0 "[ . 1 . 2]" 1 882 2 22 GLU HA 2 22 GLU QG . . 3.350 3.329 3.324 3.333 . 0 0 "[ . 1 . 2]" 1 883 2 40 ILE H 2 41 ILE HB . . 5.500 4.727 4.483 4.882 . 0 0 "[ . 1 . 2]" 1 884 2 11 GLU HG3 2 14 LYS H . . 5.500 5.335 5.194 5.402 . 0 0 "[ . 1 . 2]" 1 885 2 11 GLU HG3 2 15 ARG H . . 5.500 5.011 4.930 5.077 . 0 0 "[ . 1 . 2]" 1 886 2 11 GLU HG3 2 12 LEU HA . . 4.480 4.141 3.650 4.325 . 0 0 "[ . 1 . 2]" 1 887 2 11 GLU HG3 2 12 LEU QD . . 4.270 3.782 3.258 4.035 . 0 0 "[ . 1 . 2]" 1 888 2 63 LEU HA 2 66 MET HB2 . . 5.070 2.837 2.728 3.171 . 0 0 "[ . 1 . 2]" 1 889 2 46 THR MG 2 81 PRO HB3 . . 3.990 2.335 2.172 2.638 . 0 0 "[ . 1 . 2]" 1 890 2 95 GLN QG 2 96 LYS H . . 4.350 2.153 2.076 2.191 . 0 0 "[ . 1 . 2]" 1 891 2 95 GLN QG 2 96 LYS HA . . 4.510 3.490 3.395 3.520 . 0 0 "[ . 1 . 2]" 1 892 2 95 GLN QG 2 96 LYS QB . . 3.400 2.921 2.873 2.982 . 0 0 "[ . 1 . 2]" 1 893 2 45 LYS HB2 2 49 ASP QB . . 4.440 2.715 2.487 2.868 . 0 0 "[ . 1 . 2]" 1 894 2 45 LYS HB2 2 48 ALA MB . . 5.070 5.126 5.090 5.239 0.169 18 0 "[ . 1 . 2]" 1 895 2 40 ILE HA 2 45 LYS HB2 . . 4.840 3.206 2.779 3.581 . 0 0 "[ . 1 . 2]" 1 896 2 19 LYS QB 2 20 PRO HD2 . . 4.400 2.348 2.195 2.501 . 0 0 "[ . 1 . 2]" 1 897 2 19 LYS QB 2 19 LYS QE . . 4.440 2.489 1.912 3.898 . 0 0 "[ . 1 . 2]" 1 898 2 19 LYS QB 2 24 ILE H . . 4.690 4.473 4.407 4.577 . 0 0 "[ . 1 . 2]" 1 899 2 19 LYS QB 2 23 LYS HG2 . . 3.500 3.578 3.502 3.622 0.122 11 0 "[ . 1 . 2]" 1 900 2 73 PRO QB 2 77 LEU H . . 5.500 4.698 4.524 4.935 . 0 0 "[ . 1 . 2]" 1 901 2 72 ASP HA 2 73 PRO QB . . 4.840 4.663 4.510 4.808 . 0 0 "[ . 1 . 2]" 1 902 2 73 PRO QB 2 102 LEU QD . . 4.360 4.338 4.214 4.422 0.062 11 0 "[ . 1 . 2]" 1 903 2 73 PRO QB 2 75 LYS H . . 5.080 5.024 4.786 5.254 0.174 20 0 "[ . 1 . 2]" 1 904 2 73 PRO QB 2 98 PHE HE2 . . 4.250 2.258 2.141 2.476 . 0 0 "[ . 1 . 2]" 1 905 2 73 PRO QB 2 77 LEU QB . . 4.090 3.957 3.730 4.115 0.025 4 0 "[ . 1 . 2]" 1 906 2 9 ARG H 2 10 LYS HB3 . . 5.430 4.626 4.589 4.683 . 0 0 "[ . 1 . 2]" 1 907 2 10 LYS HB3 2 10 LYS QE . . 4.040 1.843 1.826 1.858 . 0 0 "[ . 1 . 2]" 1 908 2 25 LYS HB3 2 25 LYS QE . . 4.310 1.918 1.907 1.933 . 0 0 "[ . 1 . 2]" 1 909 2 10 LYS HB3 2 10 LYS QD . . 2.970 2.891 2.772 2.956 . 0 0 "[ . 1 . 2]" 1 910 2 10 LYS HB3 2 11 GLU HA . . 4.580 4.565 4.537 4.617 0.037 14 0 "[ . 1 . 2]" 1 911 2 25 LYS HB3 2 26 GLU H . . 4.140 4.122 4.090 4.146 0.006 11 0 "[ . 1 . 2]" 1 912 2 20 PRO HB2 2 21 VAL MG1 . . 4.380 3.672 3.581 3.729 . 0 0 "[ . 1 . 2]" 1 913 2 20 PRO HB2 2 24 ILE MD . . 4.950 4.956 4.911 4.985 0.035 20 0 "[ . 1 . 2]" 1 914 2 3 VAL HB 2 4 GLU H . . 4.120 3.671 2.830 4.120 . 0 0 "[ . 1 . 2]" 1 915 2 11 GLU H 2 14 LYS QB . . 5.500 5.392 5.344 5.429 . 0 0 "[ . 1 . 2]" 1 916 2 10 LYS HA 2 14 LYS QB . . 4.620 4.668 4.632 4.721 0.101 1 0 "[ . 1 . 2]" 1 917 2 14 LYS QB 2 14 LYS QE . . 3.580 2.840 1.974 3.760 0.180 5 0 "[ . 1 . 2]" 1 918 2 10 LYS QD 2 14 LYS QB . . 3.220 3.212 3.103 3.307 0.087 8 0 "[ . 1 . 2]" 1 919 2 19 LYS QB 2 23 LYS HB2 . . 3.140 2.285 2.129 2.417 . 0 0 "[ . 1 . 2]" 1 920 2 19 LYS QG 2 23 LYS HB2 . . 4.230 4.074 3.644 4.226 . 0 0 "[ . 1 . 2]" 1 921 2 14 LYS QB 2 16 ASP H . . 5.320 4.998 4.953 5.049 . 0 0 "[ . 1 . 2]" 1 922 2 24 ILE H 2 25 LYS HB3 . . 5.230 5.225 5.202 5.265 0.035 7 0 "[ . 1 . 2]" 1 923 2 25 LYS HB3 2 41 ILE MG . . 4.550 2.978 2.819 3.148 . 0 0 "[ . 1 . 2]" 1 924 2 59 TRP HZ2 2 108 VAL HB . . 5.080 3.943 3.637 4.078 . 0 0 "[ . 1 . 2]" 1 925 2 2 VAL HB 2 3 VAL HB . . 4.510 4.515 4.251 4.788 0.278 19 0 "[ . 1 . 2]" 1 926 2 31 LYS H 2 31 LYS HB2 . . 3.340 2.365 2.267 2.468 . 0 0 "[ . 1 . 2]" 1 927 2 22 GLU H 2 23 LYS HB2 . . 5.130 4.914 4.859 4.939 . 0 0 "[ . 1 . 2]" 1 928 2 23 LYS HB2 2 24 ILE H . . 3.870 3.049 3.014 3.102 . 0 0 "[ . 1 . 2]" 1 929 2 23 LYS H 2 23 LYS HB2 . . 3.350 2.471 2.451 2.492 . 0 0 "[ . 1 . 2]" 1 930 2 19 LYS HA 2 23 LYS HB2 . . 5.020 4.545 4.415 4.666 . 0 0 "[ . 1 . 2]" 1 931 2 20 PRO HA 2 23 LYS HB2 . . 5.500 5.425 5.262 5.472 . 0 0 "[ . 1 . 2]" 1 932 2 23 LYS HB2 2 23 LYS QE . . 3.990 3.406 3.389 3.417 . 0 0 "[ . 1 . 2]" 1 933 2 22 GLU QG 2 23 LYS HB2 . . 4.870 4.051 3.982 4.077 . 0 0 "[ . 1 . 2]" 1 934 2 20 PRO HG2 2 23 LYS HB2 . . 3.900 3.771 3.631 3.821 . 0 0 "[ . 1 . 2]" 1 935 2 23 LYS HB2 2 23 LYS HG2 . . 2.970 2.437 2.425 2.460 . 0 0 "[ . 1 . 2]" 1 936 2 47 TYR HA 2 50 VAL HB . . 5.500 5.595 5.553 5.653 0.153 5 0 "[ . 1 . 2]" 1 937 2 50 VAL HB 2 52 ILE HB . . 4.780 3.643 3.277 3.936 . 0 0 "[ . 1 . 2]" 1 938 2 50 VAL HB 2 52 ILE MG . . 4.290 4.100 4.005 4.180 . 0 0 "[ . 1 . 2]" 1 939 2 40 ILE MD 2 50 VAL HB . . 5.500 5.255 4.849 5.442 . 0 0 "[ . 1 . 2]" 1 940 2 63 LEU MD1 2 108 VAL HB . . 4.860 4.349 3.914 4.996 0.136 18 0 "[ . 1 . 2]" 1 941 2 21 VAL HB 2 22 GLU H . . 4.070 4.078 4.048 4.102 0.032 4 0 "[ . 1 . 2]" 1 942 2 21 VAL HB 2 24 ILE H . . 5.450 5.362 5.311 5.427 . 0 0 "[ . 1 . 2]" 1 943 2 29 CYS H 2 31 LYS HB2 . . 5.500 5.347 5.202 5.459 . 0 0 "[ . 1 . 2]" 1 944 2 12 LEU H 2 13 VAL HB . . 4.940 4.522 4.438 4.604 . 0 0 "[ . 1 . 2]" 1 945 2 30 THR H 2 31 LYS HB2 . . 5.280 4.445 4.040 4.622 . 0 0 "[ . 1 . 2]" 1 946 2 109 VAL HB 2 110 LYS H . . 3.860 3.032 2.684 3.923 0.063 19 0 "[ . 1 . 2]" 1 947 2 106 TRP HE3 2 109 VAL HB . . 4.550 3.334 2.821 4.548 . 0 0 "[ . 1 . 2]" 1 948 2 23 LYS HB2 2 24 ILE MD . . 3.480 2.572 2.505 2.721 . 0 0 "[ . 1 . 2]" 1 949 2 108 VAL H 2 109 VAL HB . . 5.130 4.816 4.695 4.899 . 0 0 "[ . 1 . 2]" 1 950 2 106 TRP HZ3 2 109 VAL HB . . 5.500 4.157 3.543 5.551 0.051 8 0 "[ . 1 . 2]" 1 951 2 111 LYS QB 2 111 LYS QE . . 3.900 1.937 1.889 2.003 . 0 0 "[ . 1 . 2]" 1 952 2 111 LYS QB 2 113 LEU H . . 5.310 5.051 5.021 5.078 . 0 0 "[ . 1 . 2]" 1 953 2 111 LYS QB 2 114 GLU H . . 5.500 4.776 4.750 4.814 . 0 0 "[ . 1 . 2]" 1 954 2 61 VAL HB 2 62 ILE HG13 . . 3.420 3.472 3.432 3.534 0.114 4 0 "[ . 1 . 2]" 1 955 2 62 ILE HG12 2 76 ILE MD . . 4.210 2.380 2.148 2.779 . 0 0 "[ . 1 . 2]" 1 956 2 11 GLU H 2 13 VAL HB . . 5.500 5.192 5.109 5.298 . 0 0 "[ . 1 . 2]" 1 957 2 104 LYS QB 2 108 VAL H . . 5.500 4.945 4.821 5.080 . 0 0 "[ . 1 . 2]" 1 958 2 87 LYS H 2 88 GLU QB . . 4.320 3.707 3.619 4.033 . 0 0 "[ . 1 . 2]" 1 959 2 88 GLU H 2 88 GLU QB . . 3.620 2.248 2.206 2.402 . 0 0 "[ . 1 . 2]" 1 960 2 85 LYS HA 2 88 GLU QB . . 3.420 2.265 2.011 2.583 . 0 0 "[ . 1 . 2]" 1 961 2 99 VAL HB 2 100 ILE HA . . 4.650 4.541 4.451 4.597 . 0 0 "[ . 1 . 2]" 1 962 2 87 LYS QG 2 88 GLU QB . . 5.500 4.499 3.112 5.087 . 0 0 "[ . 1 . 2]" 1 963 2 96 LYS QG 2 99 VAL HB . . 5.500 5.346 5.155 5.511 0.011 18 0 "[ . 1 . 2]" 1 964 2 98 PHE HD1 2 99 VAL HB . . 4.950 4.139 4.100 4.198 . 0 0 "[ . 1 . 2]" 1 965 2 104 LYS QB 2 104 LYS QE . . 3.990 2.091 1.920 3.239 . 0 0 "[ . 1 . 2]" 1 966 2 106 TRP HB2 2 106 TRP HD1 . . 3.830 3.555 3.536 3.574 . 0 0 "[ . 1 . 2]" 1 967 2 109 VAL H 2 110 LYS QB . . 4.730 4.689 4.560 4.736 0.006 15 0 "[ . 1 . 2]" 1 968 2 110 LYS QB 2 113 LEU H . . 5.120 4.772 4.742 4.802 . 0 0 "[ . 1 . 2]" 1 969 2 106 TRP HZ2 2 110 LYS QB . . 4.640 3.486 3.264 3.606 . 0 0 "[ . 1 . 2]" 1 970 2 110 LYS QB 2 111 LYS QB . . 4.830 4.861 4.828 4.900 0.070 7 0 "[ . 1 . 2]" 1 971 2 110 LYS QB 2 110 LYS QD . . 3.110 2.207 2.059 2.305 . 0 0 "[ . 1 . 2]" 1 972 2 110 LYS QB 2 110 LYS QE . . 4.130 2.557 1.975 3.636 . 0 0 "[ . 1 . 2]" 1 973 2 103 SER HA 2 106 TRP HB2 . . 4.880 4.774 4.549 4.963 0.083 11 0 "[ . 1 . 2]" 1 974 2 105 ALA H 2 106 TRP HB2 . . 5.500 5.198 5.053 5.293 . 0 0 "[ . 1 . 2]" 1 975 2 56 ARG HA 2 59 TRP QB . . 5.270 2.030 1.963 2.351 . 0 0 "[ . 1 . 2]" 1 976 2 8 LEU HG 2 106 TRP HB2 . . 5.000 4.910 4.790 5.016 0.016 1 0 "[ . 1 . 2]" 1 977 2 12 LEU HG 2 106 TRP HB2 . . 4.890 4.807 4.710 4.942 0.052 11 0 "[ . 1 . 2]" 1 978 2 12 LEU QD 2 106 TRP HB2 . . 4.270 2.423 2.342 2.519 . 0 0 "[ . 1 . 2]" 1 979 2 8 LEU QD 2 106 TRP HB2 . . 4.630 3.520 3.408 3.621 . 0 0 "[ . 1 . 2]" 1 980 2 26 GLU QB 2 27 GLU H . . 3.220 2.590 2.539 2.660 . 0 0 "[ . 1 . 2]" 1 981 2 70 VAL HB 2 71 THR H . . 5.430 4.563 4.526 4.590 . 0 0 "[ . 1 . 2]" 1 982 2 17 SER H 2 70 VAL HB . . 5.290 4.245 3.880 4.541 . 0 0 "[ . 1 . 2]" 1 983 2 15 ARG QB 2 16 ASP HA . . 4.660 4.032 3.889 4.245 . 0 0 "[ . 1 . 2]" 1 984 2 14 LYS HG3 2 15 ARG QB . . 3.630 3.728 3.701 3.807 0.177 5 0 "[ . 1 . 2]" 1 985 2 12 LEU QD 2 15 ARG QB . . 4.760 3.766 3.585 4.288 . 0 0 "[ . 1 . 2]" 1 986 2 12 LEU HA 2 15 ARG QB . . 4.000 2.825 2.632 3.495 . 0 0 "[ . 1 . 2]" 1 987 2 101 THR HB 2 105 ALA MB . . 5.190 4.947 4.861 5.041 . 0 0 "[ . 1 . 2]" 1 988 2 101 THR HB 2 102 LEU QD . . 5.050 2.516 2.453 2.630 . 0 0 "[ . 1 . 2]" 1 989 2 100 ILE H 2 101 THR HB . . 4.910 4.835 4.766 4.904 . 0 0 "[ . 1 . 2]" 1 990 2 97 TYR HA 2 101 THR HB . . 5.460 5.401 5.286 5.478 0.018 20 0 "[ . 1 . 2]" 1 991 2 39 GLU QB 2 41 ILE H . . 5.230 4.838 4.707 5.011 . 0 0 "[ . 1 . 2]" 1 992 2 4 GLU QB 2 8 LEU H . . 4.860 4.691 4.614 4.751 . 0 0 "[ . 1 . 2]" 1 993 2 1 THR HA 2 4 GLU QB . . 4.920 3.243 2.665 3.454 . 0 0 "[ . 1 . 2]" 1 994 2 27 GLU QB 2 28 ILE HA . . 4.670 4.574 4.518 4.610 . 0 0 "[ . 1 . 2]" 1 995 2 24 ILE HA 2 27 GLU QB . . 4.210 4.251 4.222 4.314 0.104 19 0 "[ . 1 . 2]" 1 996 2 23 LYS QE 2 27 GLU QB . . 5.500 3.827 3.750 3.932 . 0 0 "[ . 1 . 2]" 1 997 2 27 GLU QB 2 31 LYS QE . . 5.500 3.003 2.242 3.636 . 0 0 "[ . 1 . 2]" 1 998 2 114 GLU HB3 2 115 ALA H . . 5.030 3.966 3.908 3.992 . 0 0 "[ . 1 . 2]" 1 999 2 113 LEU QD 2 114 GLU HB3 . . 4.920 4.041 3.959 4.122 . 0 0 "[ . 1 . 2]" 1 1000 2 111 LYS HA 2 114 GLU HB3 . . 4.670 2.420 2.344 2.492 . 0 0 "[ . 1 . 2]" 1 1001 2 82 ARG HB3 2 82 ARG QD . . 3.320 2.895 2.288 3.525 0.205 2 0 "[ . 1 . 2]" 1 1002 2 25 LYS HD2 2 27 GLU H . . 5.500 5.043 4.990 5.106 . 0 0 "[ . 1 . 2]" 1 1003 2 25 LYS HD2 2 26 GLU QB . . 4.200 3.693 3.629 3.741 . 0 0 "[ . 1 . 2]" 1 1004 2 76 ILE H 2 76 ILE HG13 . . 3.940 3.591 3.533 3.637 . 0 0 "[ . 1 . 2]" 1 1005 2 67 LYS H 2 67 LYS HD3 . . 4.850 4.783 4.702 4.816 . 0 0 "[ . 1 . 2]" 1 1006 2 43 GLU HB3 2 45 LYS HA . . 5.500 5.427 5.156 5.564 0.064 19 0 "[ . 1 . 2]" 1 1007 2 39 GLU HA 2 43 GLU HB3 . . 4.480 4.251 3.752 4.614 0.134 10 0 "[ . 1 . 2]" 1 1008 2 43 GLU HB3 2 45 LYS HG2 . . 4.210 3.418 3.056 3.671 . 0 0 "[ . 1 . 2]" 1 1009 2 43 GLU HB3 2 45 LYS HB2 . . 3.730 3.268 3.005 3.503 . 0 0 "[ . 1 . 2]" 1 1010 2 77 LEU H 2 78 GLU HB2 . . 5.120 4.833 4.624 4.929 . 0 0 "[ . 1 . 2]" 1 1011 2 78 GLU HB2 2 79 LEU H . . 4.970 4.172 4.119 4.228 . 0 0 "[ . 1 . 2]" 1 1012 2 78 GLU H 2 78 GLU HB2 . . 3.180 2.697 2.653 2.788 . 0 0 "[ . 1 . 2]" 1 1013 2 10 LYS QD 2 11 GLU QB . . 3.840 3.564 3.497 3.624 . 0 0 "[ . 1 . 2]" 1 1014 2 8 LEU QD 2 11 GLU QB . . 3.770 3.222 3.120 3.374 . 0 0 "[ . 1 . 2]" 1 1015 2 100 ILE H 2 100 ILE HG13 . . 4.120 2.416 2.341 2.450 . 0 0 "[ . 1 . 2]" 1 1016 2 22 GLU HA 2 25 LYS HD2 . . 3.170 2.620 2.525 2.680 . 0 0 "[ . 1 . 2]" 1 1017 2 10 LYS QD 2 14 LYS H . . 4.450 4.175 4.074 4.291 . 0 0 "[ . 1 . 2]" 1 1018 2 25 LYS HD2 2 25 LYS QE . . 2.430 2.203 2.196 2.212 . 0 0 "[ . 1 . 2]" 1 1019 2 31 LYS HB2 2 31 LYS QD . . 3.620 2.433 2.321 3.337 . 0 0 "[ . 1 . 2]" 1 1020 2 95 GLN QG 2 96 LYS QD . . 4.360 4.076 3.896 4.470 0.110 6 0 "[ . 1 . 2]" 1 1021 2 7 GLU QB 2 9 ARG H . . 5.150 4.897 4.875 4.916 . 0 0 "[ . 1 . 2]" 1 1022 2 7 GLU H 2 7 GLU QB . . 2.760 2.365 2.344 2.386 . 0 0 "[ . 1 . 2]" 1 1023 2 10 LYS HA 2 11 GLU QB . . 5.410 5.190 5.171 5.218 . 0 0 "[ . 1 . 2]" 1 1024 2 11 GLU QB 2 11 GLU HG3 . . 2.550 2.402 2.375 2.426 . 0 0 "[ . 1 . 2]" 1 1025 2 11 GLU QB 2 13 VAL H . . 5.130 4.827 4.792 4.873 . 0 0 "[ . 1 . 2]" 1 1026 2 11 GLU QB 2 12 LEU HA . . 4.210 4.219 4.153 4.295 0.085 5 0 "[ . 1 . 2]" 1 1027 2 11 GLU QB 2 12 LEU HG . . 4.640 3.453 3.339 3.569 . 0 0 "[ . 1 . 2]" 1 1028 2 11 GLU QB 2 12 LEU QD . . 4.280 3.437 3.315 3.609 . 0 0 "[ . 1 . 2]" 1 1029 2 92 TRP HZ3 2 100 ILE HG13 . . 5.500 5.130 5.056 5.226 . 0 0 "[ . 1 . 2]" 1 1030 2 96 LYS QB 2 100 ILE HG13 . . 5.440 4.061 3.852 4.220 . 0 0 "[ . 1 . 2]" 1 1031 2 52 ILE QG 2 57 GLY H . . 5.140 3.513 3.410 3.671 . 0 0 "[ . 1 . 2]" 1 1032 2 52 ILE QG 2 53 ASP H . . 3.920 1.971 1.915 2.022 . 0 0 "[ . 1 . 2]" 1 1033 2 45 LYS QD 2 46 THR H . . 4.290 3.480 3.065 3.582 . 0 0 "[ . 1 . 2]" 1 1034 2 45 LYS H 2 45 LYS QD . . 4.120 3.996 3.865 4.059 . 0 0 "[ . 1 . 2]" 1 1035 2 45 LYS HA 2 45 LYS QD . . 3.620 2.537 1.973 2.698 . 0 0 "[ . 1 . 2]" 1 1036 2 45 LYS QD 2 49 ASP HA . . 4.500 3.890 3.212 4.064 . 0 0 "[ . 1 . 2]" 1 1037 2 45 LYS QD 2 48 ALA MB . . 2.400 2.432 2.243 2.488 0.088 6 0 "[ . 1 . 2]" 1 1038 2 45 LYS QD 2 45 LYS HG2 . . 2.790 2.493 2.464 2.522 . 0 0 "[ . 1 . 2]" 1 1039 2 40 ILE MD 2 45 LYS QD . . 5.260 4.643 4.093 4.872 . 0 0 "[ . 1 . 2]" 1 1040 2 45 LYS QD 2 49 ASP QB . . 3.670 3.221 2.654 3.336 . 0 0 "[ . 1 . 2]" 1 1041 2 96 LYS H 2 96 LYS QD . . 4.940 3.717 3.571 3.936 . 0 0 "[ . 1 . 2]" 1 1042 2 96 LYS HA 2 96 LYS QD . . 4.800 4.334 4.195 4.558 . 0 0 "[ . 1 . 2]" 1 1043 2 106 TRP HZ2 2 110 LYS QD . . 4.100 3.868 3.378 4.144 0.044 14 0 "[ . 1 . 2]" 1 1044 2 107 SER HA 2 110 LYS QD . . 4.640 2.600 2.187 3.383 . 0 0 "[ . 1 . 2]" 1 1045 2 110 LYS QD 2 111 LYS HA . . 5.500 5.529 5.431 5.601 0.101 3 0 "[ . 1 . 2]" 1 1046 2 9 ARG HB2 2 98 PHE HE2 . . 5.500 5.565 5.525 5.611 0.111 17 0 "[ . 1 . 2]" 1 1047 2 94 THR HB 2 95 GLN QB . . 5.500 5.563 5.525 5.636 0.136 6 0 "[ . 1 . 2]" 1 1048 2 6 GLU H 2 6 GLU HB3 . . 3.350 2.272 2.250 2.307 . 0 0 "[ . 1 . 2]" 1 1049 2 22 GLU QB 2 25 LYS HD2 . . 4.450 4.275 4.194 4.331 . 0 0 "[ . 1 . 2]" 1 1050 2 22 GLU QB 2 25 LYS QE . . 4.530 3.849 3.766 3.921 . 0 0 "[ . 1 . 2]" 1 1051 2 111 LYS QD 2 112 TYR H . . 4.650 4.484 4.344 4.563 . 0 0 "[ . 1 . 2]" 1 1052 2 111 LYS H 2 111 LYS QD . . 4.390 4.065 3.659 4.322 . 0 0 "[ . 1 . 2]" 1 1053 2 111 LYS QD 2 112 TYR HA . . 5.200 5.146 4.899 5.323 0.123 6 0 "[ . 1 . 2]" 1 1054 2 108 VAL HA 2 111 LYS QD . . 4.040 2.622 2.254 2.971 . 0 0 "[ . 1 . 2]" 1 1055 2 21 VAL H 2 22 GLU QB . . 4.990 4.878 4.839 4.918 . 0 0 "[ . 1 . 2]" 1 1056 2 22 GLU QB 2 24 ILE H . . 5.430 5.087 5.056 5.109 . 0 0 "[ . 1 . 2]" 1 1057 2 4 GLU HA 2 6 GLU HB3 . . 5.020 4.969 4.814 5.044 0.024 16 0 "[ . 1 . 2]" 1 1058 2 22 GLU H 2 22 GLU QB . . 2.810 2.459 2.435 2.481 . 0 0 "[ . 1 . 2]" 1 1059 2 4 GLU H 2 6 GLU HB3 . . 4.970 4.997 4.757 5.052 0.082 5 0 "[ . 1 . 2]" 1 1060 2 22 GLU QB 2 23 LYS H . . 3.670 3.716 3.705 3.723 0.053 18 0 "[ . 1 . 2]" 1 1061 2 3 VAL HA 2 6 GLU HB3 . . 2.670 2.554 2.263 2.637 . 0 0 "[ . 1 . 2]" 1 1062 2 21 VAL HA 2 22 GLU QB . . 5.500 5.448 5.432 5.459 . 0 0 "[ . 1 . 2]" 1 1063 2 22 GLU QB 2 23 LYS HG2 . . 4.570 4.418 4.338 4.470 . 0 0 "[ . 1 . 2]" 1 1064 2 41 ILE QG 2 41 ILE MG . . 2.560 2.310 2.296 2.323 . 0 0 "[ . 1 . 2]" 1 1065 2 61 VAL HA 2 64 TYR HD2 . . 5.090 4.559 4.411 4.681 . 0 0 "[ . 1 . 2]" 1 1066 2 61 VAL HA 2 64 TYR QB . . 4.250 2.792 2.655 2.925 . 0 0 "[ . 1 . 2]" 1 1067 2 61 VAL HA 2 61 VAL MG1 . . 3.110 2.476 2.451 2.517 . 0 0 "[ . 1 . 2]" 1 1068 2 60 HIS HA 2 61 VAL HA . . 5.420 4.776 4.764 4.790 . 0 0 "[ . 1 . 2]" 1 1069 2 21 VAL HA 2 75 LYS HA . . 5.500 5.140 4.209 5.624 0.124 19 0 "[ . 1 . 2]" 1 1070 2 61 VAL HA 2 65 LEU MD2 . . 4.840 4.916 4.884 4.948 0.108 5 0 "[ . 1 . 2]" 1 1071 2 21 VAL HA 2 24 ILE MD . . 2.540 2.015 1.962 2.057 . 0 0 "[ . 1 . 2]" 1 1072 2 21 VAL HA 2 25 LYS H . . 4.560 4.455 4.411 4.533 . 0 0 "[ . 1 . 2]" 1 1073 2 21 VAL HA 2 24 ILE HB . . 3.100 2.382 2.278 2.522 . 0 0 "[ . 1 . 2]" 1 1074 2 21 VAL HA 2 21 VAL MG1 . . 3.380 3.215 3.208 3.222 . 0 0 "[ . 1 . 2]" 1 1075 2 65 LEU HA 2 68 HIS HB2 . . 4.350 2.502 2.298 2.725 . 0 0 "[ . 1 . 2]" 1 1076 2 67 LYS H 2 68 HIS HB2 . . 5.100 4.506 4.320 4.561 . 0 0 "[ . 1 . 2]" 1 1077 2 68 HIS HB2 2 70 VAL HB . . 5.500 5.129 3.950 5.387 . 0 0 "[ . 1 . 2]" 1 1078 2 28 ILE MD 2 68 HIS HB2 . . 4.960 4.334 3.860 4.813 . 0 0 "[ . 1 . 2]" 1 1079 2 62 ILE HA 2 65 LEU H . . 3.910 3.570 3.511 3.626 . 0 0 "[ . 1 . 2]" 1 1080 2 62 ILE HA 2 64 TYR H . . 5.450 4.222 4.155 4.301 . 0 0 "[ . 1 . 2]" 1 1081 2 62 ILE HA 2 62 ILE HG12 . . 3.760 2.503 2.466 2.544 . 0 0 "[ . 1 . 2]" 1 1082 2 62 ILE HA 2 76 ILE HG13 . . 5.500 5.354 5.103 5.537 0.037 4 0 "[ . 1 . 2]" 1 1083 2 61 VAL MG1 2 62 ILE HA . . 4.620 3.258 3.172 3.325 . 0 0 "[ . 1 . 2]" 1 1084 2 62 ILE HA 2 62 ILE HG13 . . 2.890 2.700 2.669 2.730 . 0 0 "[ . 1 . 2]" 1 1085 2 12 LEU H 2 13 VAL HA . . 5.240 5.165 5.132 5.217 . 0 0 "[ . 1 . 2]" 1 1086 2 13 VAL HA 2 15 ARG H . . 4.300 4.005 3.938 4.068 . 0 0 "[ . 1 . 2]" 1 1087 2 13 VAL HA 2 16 ASP HA . . 4.780 4.777 4.685 4.826 0.046 7 0 "[ . 1 . 2]" 1 1088 2 13 VAL HA 2 72 ASP HA . . 4.570 4.185 4.029 4.405 . 0 0 "[ . 1 . 2]" 1 1089 2 13 VAL HA 2 73 PRO QD . . 4.760 4.397 4.229 4.632 . 0 0 "[ . 1 . 2]" 1 1090 2 12 LEU HB2 2 13 VAL HA . . 4.970 4.266 4.221 4.346 . 0 0 "[ . 1 . 2]" 1 1091 2 13 VAL HA 2 16 ASP QB . . 3.610 2.295 2.238 2.341 . 0 0 "[ . 1 . 2]" 1 1092 2 13 VAL HA 2 13 VAL MG2 . . 2.860 2.293 2.274 2.318 . 0 0 "[ . 1 . 2]" 1 1093 2 24 ILE HG12 2 25 LYS H . . 5.120 5.177 5.128 5.202 0.082 13 0 "[ . 1 . 2]" 1 1094 2 24 ILE H 2 24 ILE HG12 . . 4.420 4.017 3.973 4.047 . 0 0 "[ . 1 . 2]" 1 1095 2 21 VAL HA 2 24 ILE HG12 . . 3.850 3.406 3.311 3.480 . 0 0 "[ . 1 . 2]" 1 1096 2 24 ILE HA 2 24 ILE HG12 . . 4.060 3.566 3.549 3.593 . 0 0 "[ . 1 . 2]" 1 1097 2 95 GLN QB 2 96 LYS QB . . 4.700 4.693 4.649 4.739 0.039 17 0 "[ . 1 . 2]" 1 1098 2 73 PRO HG3 2 74 ASP H . . 4.470 4.311 3.984 4.693 0.223 15 0 "[ . 1 . 2]" 1 1099 2 73 PRO HG3 2 98 PHE HE1 . . 5.500 5.202 4.432 5.665 0.165 2 0 "[ . 1 . 2]" 1 1100 2 73 PRO HG3 2 98 PHE HE2 . . 5.230 4.017 2.743 4.865 . 0 0 "[ . 1 . 2]" 1 1101 2 73 PRO HG3 2 98 PHE HZ . . 4.350 3.309 2.186 4.052 . 0 0 "[ . 1 . 2]" 1 1102 2 72 ASP HA 2 73 PRO HG3 . . 4.460 4.439 4.252 4.587 0.127 20 0 "[ . 1 . 2]" 1 1103 2 12 LEU QD 2 73 PRO HG3 . . 5.040 3.553 2.393 4.283 . 0 0 "[ . 1 . 2]" 1 1104 2 23 LYS QD 2 27 GLU H . . 5.500 5.526 5.415 5.554 0.054 8 0 "[ . 1 . 2]" 1 1105 2 23 LYS QD 2 26 GLU H . . 5.080 5.068 5.002 5.099 0.019 14 0 "[ . 1 . 2]" 1 1106 2 23 LYS H 2 23 LYS QD . . 3.930 3.482 3.410 3.587 . 0 0 "[ . 1 . 2]" 1 1107 2 23 LYS QD 2 26 GLU QB . . 3.530 3.454 3.297 3.514 . 0 0 "[ . 1 . 2]" 1 1108 2 23 LYS QD 2 23 LYS HG2 . . 2.590 2.203 2.200 2.210 . 0 0 "[ . 1 . 2]" 1 1109 2 23 LYS QD 2 24 ILE H . . 5.190 4.891 4.865 4.971 . 0 0 "[ . 1 . 2]" 1 1110 2 65 LEU HA 2 65 LEU HG . . 3.990 3.116 3.094 3.134 . 0 0 "[ . 1 . 2]" 1 1111 2 62 ILE HA 2 65 LEU HG . . 3.760 3.531 3.415 3.666 . 0 0 "[ . 1 . 2]" 1 1112 2 37 ILE MD 2 65 LEU HG . . 5.040 4.382 3.938 4.653 . 0 0 "[ . 1 . 2]" 1 1113 2 20 PRO HG2 2 21 VAL H . . 4.700 4.585 4.535 4.623 . 0 0 "[ . 1 . 2]" 1 1114 2 20 PRO HG2 2 22 GLU H . . 4.610 3.559 3.493 3.633 . 0 0 "[ . 1 . 2]" 1 1115 2 20 PRO HG2 2 24 ILE H . . 5.220 5.276 5.258 5.311 0.091 11 0 "[ . 1 . 2]" 1 1116 2 20 PRO HG2 2 23 LYS H . . 3.910 3.172 3.106 3.215 . 0 0 "[ . 1 . 2]" 1 1117 2 20 PRO HG2 2 22 GLU QB . . 5.500 4.328 4.263 4.383 . 0 0 "[ . 1 . 2]" 1 1118 2 20 PRO HG2 2 23 LYS HG2 . . 3.850 2.085 2.051 2.140 . 0 0 "[ . 1 . 2]" 1 1119 2 64 TYR HD2 2 65 LEU HG . . 5.150 3.068 2.836 3.246 . 0 0 "[ . 1 . 2]" 1 1120 2 12 LEU QD 2 15 ARG QG . . 4.640 3.958 3.458 4.671 0.031 20 0 "[ . 1 . 2]" 1 1121 2 15 ARG QG 2 106 TRP HZ3 . . 5.500 4.545 4.304 5.703 0.203 11 0 "[ . 1 . 2]" 1 1122 2 11 GLU HA 2 15 ARG QG . . 4.260 3.986 3.762 4.075 . 0 0 "[ . 1 . 2]" 1 1123 2 14 LYS QE 2 15 ARG QG . . 5.400 3.041 2.028 4.169 . 0 0 "[ . 1 . 2]" 1 1124 2 11 GLU HG3 2 15 ARG QG . . 4.210 3.004 2.790 3.153 . 0 0 "[ . 1 . 2]" 1 1125 2 14 LYS QB 2 15 ARG QG . . 4.110 4.086 3.846 4.167 0.057 5 0 "[ . 1 . 2]" 1 1126 2 14 LYS HG3 2 15 ARG QG . . 3.080 2.226 2.087 2.340 . 0 0 "[ . 1 . 2]" 1 1127 2 6 GLU H 2 9 ARG HG3 . . 5.500 4.758 4.651 4.839 . 0 0 "[ . 1 . 2]" 1 1128 2 9 ARG HG3 2 12 LEU H . . 5.500 5.397 5.349 5.447 . 0 0 "[ . 1 . 2]" 1 1129 2 108 VAL HA 2 109 VAL HA . . 4.810 4.691 4.661 4.734 . 0 0 "[ . 1 . 2]" 1 1130 2 108 VAL HA 2 111 LYS QE . . 4.440 3.396 2.508 4.472 0.032 20 0 "[ . 1 . 2]" 1 1131 2 108 VAL HA 2 111 LYS QB . . 4.300 4.236 4.069 4.335 0.035 1 0 "[ . 1 . 2]" 1 1132 2 108 VAL HA 2 108 VAL QG . . 2.900 2.160 2.135 2.207 . 0 0 "[ . 1 . 2]" 1 1133 2 108 VAL HA 2 112 TYR H . . 4.810 4.495 4.354 4.607 . 0 0 "[ . 1 . 2]" 1 1134 2 108 VAL H 2 109 VAL HA . . 5.170 5.220 5.195 5.244 0.074 6 0 "[ . 1 . 2]" 1 1135 2 109 VAL HA 2 111 LYS H . . 4.450 4.312 4.211 4.361 . 0 0 "[ . 1 . 2]" 1 1136 2 109 VAL HA 2 112 TYR HE2 . . 5.020 4.972 4.913 5.056 0.036 5 0 "[ . 1 . 2]" 1 1137 2 109 VAL HA 2 113 LEU HG . . 5.460 4.814 4.771 4.880 . 0 0 "[ . 1 . 2]" 1 1138 2 62 ILE H 2 63 LEU HG . . 5.240 4.539 4.452 4.686 . 0 0 "[ . 1 . 2]" 1 1139 2 63 LEU HG 2 64 TYR H . . 5.020 4.548 4.500 4.639 . 0 0 "[ . 1 . 2]" 1 1140 2 63 LEU HG 2 105 ALA MB . . 3.200 2.987 2.912 3.122 . 0 0 "[ . 1 . 2]" 1 1141 2 59 TRP HA 2 63 LEU HG . . 4.510 4.108 3.999 4.233 . 0 0 "[ . 1 . 2]" 1 1142 2 63 LEU HA 2 63 LEU HG . . 3.800 2.900 2.821 2.972 . 0 0 "[ . 1 . 2]" 1 1143 2 63 LEU HG 2 105 ALA HA . . 4.390 3.960 3.823 4.074 . 0 0 "[ . 1 . 2]" 1 1144 2 108 VAL HA 2 110 LYS H . . 5.220 4.721 4.582 4.792 . 0 0 "[ . 1 . 2]" 1 1145 2 112 TYR H 2 113 LEU HG . . 4.420 3.955 3.928 3.987 . 0 0 "[ . 1 . 2]" 1 1146 2 113 LEU HA 2 113 LEU HG . . 3.740 3.686 3.669 3.697 . 0 0 "[ . 1 . 2]" 1 1147 2 110 LYS HA 2 113 LEU HG . . 3.740 2.152 2.117 2.181 . 0 0 "[ . 1 . 2]" 1 1148 2 82 ARG HG2 2 83 ASP H . . 4.680 3.741 3.170 4.816 0.136 18 0 "[ . 1 . 2]" 1 1149 2 77 LEU HA 2 77 LEU HG . . 3.690 3.043 2.936 3.132 . 0 0 "[ . 1 . 2]" 1 1150 2 77 LEU HG 2 80 LEU H . . 5.500 5.319 5.140 5.680 0.180 14 0 "[ . 1 . 2]" 1 1151 2 77 LEU HG 2 78 GLU H . . 5.010 4.212 4.066 4.427 . 0 0 "[ . 1 . 2]" 1 1152 2 77 LEU HG 2 87 LYS HA . . 4.530 4.538 4.264 4.665 0.135 7 0 "[ . 1 . 2]" 1 1153 2 77 LEU HG 2 78 GLU HA . . 5.250 3.962 3.779 4.265 . 0 0 "[ . 1 . 2]" 1 1154 2 75 LYS H 2 75 LYS HG3 . . 4.180 2.718 2.145 3.921 . 0 0 "[ . 1 . 2]" 1 1155 2 102 LEU H 2 102 LEU HG . . 3.950 3.970 3.927 4.000 0.050 11 0 "[ . 1 . 2]" 1 1156 2 22 GLU HA 2 25 LYS HG3 . . 4.850 4.692 4.663 4.736 . 0 0 "[ . 1 . 2]" 1 1157 2 25 LYS H 2 25 LYS HG3 . . 4.030 3.975 3.955 4.004 . 0 0 "[ . 1 . 2]" 1 1158 2 25 LYS QE 2 25 LYS HG3 . . 3.670 2.950 2.938 2.965 . 0 0 "[ . 1 . 2]" 1 1159 2 73 PRO HA 2 77 LEU H . . 4.000 3.717 3.534 3.979 . 0 0 "[ . 1 . 2]" 1 1160 2 73 PRO HA 2 76 ILE H . . 3.810 3.512 3.426 3.677 . 0 0 "[ . 1 . 2]" 1 1161 2 73 PRO HA 2 75 LYS H . . 4.490 4.454 4.336 4.560 0.070 5 0 "[ . 1 . 2]" 1 1162 2 73 PRO HA 2 76 ILE HB . . 3.210 2.507 2.354 2.639 . 0 0 "[ . 1 . 2]" 1 1163 2 73 PRO HA 2 77 LEU QB . . 3.950 3.942 3.711 4.039 0.089 19 0 "[ . 1 . 2]" 1 1164 2 73 PRO HA 2 76 ILE HG13 . . 4.200 3.908 3.741 4.156 . 0 0 "[ . 1 . 2]" 1 1165 2 73 PRO HA 2 76 ILE MG . . 3.770 3.769 3.586 3.828 0.058 7 0 "[ . 1 . 2]" 1 1166 2 73 PRO HA 2 76 ILE MD . . 5.500 5.074 4.944 5.200 . 0 0 "[ . 1 . 2]" 1 1167 2 73 PRO HA 2 102 LEU QD . . 3.910 3.837 3.685 3.928 0.018 13 0 "[ . 1 . 2]" 1 1168 2 23 LYS H 2 24 ILE HA . . 5.100 4.871 4.849 4.904 . 0 0 "[ . 1 . 2]" 1 1169 2 24 ILE HA 2 28 ILE MD . . 3.930 3.813 3.630 3.986 0.056 7 0 "[ . 1 . 2]" 1 1170 2 24 ILE HA 2 26 GLU H . . 4.870 4.217 4.116 4.305 . 0 0 "[ . 1 . 2]" 1 1171 2 24 ILE HA 2 27 GLU HG3 . . 3.980 3.705 2.535 3.911 . 0 0 "[ . 1 . 2]" 1 1172 2 45 LYS HG2 2 49 ASP HA . . 5.490 5.538 5.468 5.616 0.126 14 0 "[ . 1 . 2]" 1 1173 2 45 LYS HG2 2 46 THR H . . 4.710 4.795 4.600 4.863 0.153 1 0 "[ . 1 . 2]" 1 1174 2 40 ILE MD 2 45 LYS HG2 . . 5.250 4.782 4.548 5.001 . 0 0 "[ . 1 . 2]" 1 1175 2 8 LEU HG 2 106 TRP HE1 . . 5.500 5.529 5.501 5.557 0.057 4 0 "[ . 1 . 2]" 1 1176 2 8 LEU H 2 8 LEU HG . . 5.500 4.430 4.418 4.451 . 0 0 "[ . 1 . 2]" 1 1177 2 8 LEU HG 2 106 TRP HD1 . . 4.030 4.144 4.118 4.172 0.142 5 0 "[ . 1 . 2]" 1 1178 2 5 PHE HA 2 8 LEU HG . . 4.630 4.657 4.595 4.699 0.069 16 0 "[ . 1 . 2]" 1 1179 2 8 LEU HG 2 12 LEU HG . . 3.620 3.128 3.011 3.247 . 0 0 "[ . 1 . 2]" 1 1180 2 8 LEU HG 2 12 LEU QD . . 3.790 2.804 2.721 2.894 . 0 0 "[ . 1 . 2]" 1 1181 2 1 THR HA 2 2 VAL HA . . 5.190 4.706 4.637 4.808 . 0 0 "[ . 1 . 2]" 1 1182 2 2 VAL HA 2 5 PHE HB3 . . 3.750 2.465 2.298 2.580 . 0 0 "[ . 1 . 2]" 1 1183 2 2 VAL HA 2 99 VAL QG . . 5.500 3.608 3.351 3.893 . 0 0 "[ . 1 . 2]" 1 1184 2 96 LYS QG 2 100 ILE HB . . 5.500 5.205 4.974 5.527 0.027 3 0 "[ . 1 . 2]" 1 1185 2 3 VAL HA 2 6 GLU H . . 4.200 3.139 2.981 3.205 . 0 0 "[ . 1 . 2]" 1 1186 2 3 VAL HA 2 4 GLU H . . 3.520 3.528 3.511 3.555 0.035 2 0 "[ . 1 . 2]" 1 1187 2 3 VAL HA 2 7 GLU H . . 5.050 4.368 4.174 4.468 . 0 0 "[ . 1 . 2]" 1 1188 2 3 VAL HA 2 6 GLU QG . . 4.010 4.050 3.987 4.192 0.182 4 0 "[ . 1 . 2]" 1 1189 2 2 VAL HA 2 2 VAL QG . . 2.540 2.107 2.095 2.120 . 0 0 "[ . 1 . 2]" 1 1190 2 27 GLU HA 2 28 ILE HA . . 4.920 4.711 4.685 4.755 . 0 0 "[ . 1 . 2]" 1 1191 2 28 ILE HA 2 64 TYR HE2 . . 4.870 4.486 4.169 4.896 0.026 2 0 "[ . 1 . 2]" 1 1192 2 28 ILE HA 2 31 LYS QE . . 4.610 4.087 2.639 4.585 . 0 0 "[ . 1 . 2]" 1 1193 2 28 ILE HA 2 31 LYS HB2 . . 4.030 2.975 2.287 3.209 . 0 0 "[ . 1 . 2]" 1 1194 2 28 ILE HA 2 41 ILE MG . . 4.890 4.659 4.520 4.783 . 0 0 "[ . 1 . 2]" 1 1195 2 10 LYS HA 2 10 LYS HG3 . . 3.710 3.682 3.621 3.721 0.011 7 0 "[ . 1 . 2]" 1 1196 2 10 LYS QD 2 10 LYS HG3 . . 2.470 2.324 2.307 2.364 . 0 0 "[ . 1 . 2]" 1 1197 2 11 GLU H 2 12 LEU HG . . 4.500 4.118 4.073 4.226 . 0 0 "[ . 1 . 2]" 1 1198 2 12 LEU HG 2 73 PRO QD . . 4.670 4.497 4.340 4.708 0.038 19 0 "[ . 1 . 2]" 1 1199 2 12 LEU HA 2 12 LEU HG . . 3.410 3.172 3.099 3.235 . 0 0 "[ . 1 . 2]" 1 1200 2 100 ILE HA 2 103 SER H . . 4.420 3.992 3.886 4.061 . 0 0 "[ . 1 . 2]" 1 1201 2 100 ILE HA 2 100 ILE HG13 . . 3.880 2.727 2.688 2.752 . 0 0 "[ . 1 . 2]" 1 1202 2 99 VAL QG 2 100 ILE HA . . 4.000 3.311 3.227 3.370 . 0 0 "[ . 1 . 2]" 1 1203 2 84 SER QB 2 85 LYS HA . . 4.890 4.909 4.823 4.971 0.081 13 0 "[ . 1 . 2]" 1 1204 2 84 SER QB 2 88 GLU QB . . 5.500 5.265 4.643 5.613 0.113 8 0 "[ . 1 . 2]" 1 1205 2 84 SER QB 2 87 LYS QG . . 5.500 5.104 2.861 5.567 0.067 12 0 "[ . 1 . 2]" 1 1206 2 11 GLU H 2 14 LYS HG3 . . 5.500 5.317 5.203 5.539 0.039 5 0 "[ . 1 . 2]" 1 1207 2 14 LYS HG3 2 15 ARG H . . 3.690 2.351 2.227 2.433 . 0 0 "[ . 1 . 2]" 1 1208 2 14 LYS QE 2 14 LYS HG3 . . 3.590 3.006 2.446 3.538 . 0 0 "[ . 1 . 2]" 1 1209 2 14 LYS HG3 2 71 THR MG . . 5.500 5.571 5.490 5.596 0.096 10 0 "[ . 1 . 2]" 1 1210 2 23 LYS HG2 2 24 ILE H . . 4.770 4.417 4.379 4.482 . 0 0 "[ . 1 . 2]" 1 1211 2 23 LYS QE 2 23 LYS HG2 . . 3.330 3.327 3.322 3.332 0.002 20 0 "[ . 1 . 2]" 1 1212 2 19 LYS QG 2 23 LYS HG2 . . 5.290 5.116 4.809 5.393 0.103 6 0 "[ . 1 . 2]" 1 1213 2 111 LYS QG 2 113 LEU H . . 5.400 4.587 4.506 4.657 . 0 0 "[ . 1 . 2]" 1 1214 2 111 LYS QG 2 114 GLU H . . 5.500 5.096 5.015 5.164 . 0 0 "[ . 1 . 2]" 1 1215 2 108 VAL HA 2 111 LYS QG . . 4.380 2.369 2.201 2.539 . 0 0 "[ . 1 . 2]" 1 1216 2 64 TYR HA 2 66 MET H . . 5.330 4.220 4.139 4.278 . 0 0 "[ . 1 . 2]" 1 1217 2 63 LEU H 2 64 TYR HA . . 5.150 5.209 5.187 5.235 0.085 11 0 "[ . 1 . 2]" 1 1218 2 64 TYR HA 2 67 LYS H . . 4.280 3.458 3.372 3.580 . 0 0 "[ . 1 . 2]" 1 1219 2 64 TYR HA 2 64 TYR HD2 . . 4.240 4.208 4.169 4.234 . 0 0 "[ . 1 . 2]" 1 1220 2 37 ILE MD 2 64 TYR HA . . 4.490 4.541 4.427 4.625 0.135 15 0 "[ . 1 . 2]" 1 1221 2 106 TRP HE1 2 110 LYS HG2 . . 5.500 5.408 5.118 5.565 0.065 5 0 "[ . 1 . 2]" 1 1222 2 110 LYS HG2 2 111 LYS HA . . 5.310 4.645 4.449 4.829 . 0 0 "[ . 1 . 2]" 1 1223 2 110 LYS H 2 110 LYS HG2 . . 3.790 2.198 2.100 2.422 . 0 0 "[ . 1 . 2]" 1 1224 2 106 TRP HD1 2 110 LYS HG2 . . 5.500 5.378 5.185 5.492 . 0 0 "[ . 1 . 2]" 1 1225 2 110 LYS HG2 2 111 LYS H . . 4.230 2.516 2.411 2.697 . 0 0 "[ . 1 . 2]" 1 1226 2 110 LYS HA 2 110 LYS HG2 . . 3.800 3.748 3.707 3.808 0.008 6 0 "[ . 1 . 2]" 1 1227 2 110 LYS HG2 2 111 LYS QB . . 5.070 3.812 3.610 3.981 . 0 0 "[ . 1 . 2]" 1 1228 2 46 THR MG 2 81 PRO HA . . 4.760 4.145 4.066 4.328 . 0 0 "[ . 1 . 2]" 1 1229 2 81 PRO HA 2 82 ARG HA . . 4.570 4.411 4.379 4.424 . 0 0 "[ . 1 . 2]" 1 1230 2 81 PRO HA 2 82 ARG HB3 . . 5.500 4.592 4.453 4.942 . 0 0 "[ . 1 . 2]" 1 1231 2 29 CYS H 2 30 THR HA . . 5.400 5.182 5.128 5.265 . 0 0 "[ . 1 . 2]" 1 1232 2 29 CYS QB 2 30 THR HA . . 4.610 4.259 3.957 4.387 . 0 0 "[ . 1 . 2]" 1 1233 2 30 THR HA 2 30 THR MG . . 3.220 3.207 3.196 3.219 . 0 0 "[ . 1 . 2]" 1 1234 2 41 ILE HA 2 41 ILE QG . . 3.090 2.857 2.825 2.907 . 0 0 "[ . 1 . 2]" 1 1235 2 41 ILE HA 2 41 ILE MG . . 2.670 2.418 2.353 2.477 . 0 0 "[ . 1 . 2]" 1 1236 2 97 TYR HA 2 100 ILE MG . . 4.140 4.130 3.994 4.202 0.062 5 0 "[ . 1 . 2]" 1 1237 2 97 TYR HA 2 100 ILE HB . . 4.590 2.843 2.706 2.916 . 0 0 "[ . 1 . 2]" 1 1238 2 97 TYR HA 2 100 ILE HG13 . . 5.020 4.183 4.112 4.234 . 0 0 "[ . 1 . 2]" 1 1239 2 77 LEU QD 2 94 THR MG . . 5.200 3.473 3.103 3.679 . 0 0 "[ . 1 . 2]" 1 1240 2 86 ALA H 2 94 THR MG . . 5.390 4.430 4.337 4.556 . 0 0 "[ . 1 . 2]" 1 1241 2 96 LYS QB 2 97 TYR HA . . 5.350 4.593 4.364 4.682 . 0 0 "[ . 1 . 2]" 1 1242 2 103 SER HA 2 107 SER H . . 5.410 4.079 3.980 4.222 . 0 0 "[ . 1 . 2]" 1 1243 2 94 THR H 2 94 THR MG . . 4.420 1.928 1.836 1.957 . 0 0 "[ . 1 . 2]" 1 1244 2 87 LYS H 2 94 THR MG . . 4.600 3.954 3.822 4.103 . 0 0 "[ . 1 . 2]" 1 1245 2 94 THR MG 2 97 TYR HD2 . . 5.010 4.529 4.315 4.654 . 0 0 "[ . 1 . 2]" 1 1246 2 87 LYS HA 2 94 THR MG . . 3.540 3.448 3.172 3.643 0.103 11 0 "[ . 1 . 2]" 1 1247 2 94 THR MG 2 95 GLN HA . . 5.450 5.370 5.343 5.404 . 0 0 "[ . 1 . 2]" 1 1248 2 94 THR MG 2 97 TYR QB . . 3.840 3.923 3.883 3.949 0.109 9 0 "[ . 1 . 2]" 1 1249 2 88 GLU QB 2 94 THR MG . . 5.420 4.901 4.366 5.399 . 0 0 "[ . 1 . 2]" 1 1250 2 77 LEU HG 2 94 THR MG . . 5.450 5.457 4.972 5.583 0.133 1 0 "[ . 1 . 2]" 1 1251 2 12 LEU HG 2 71 THR MG . . 4.240 4.233 4.188 4.256 0.016 5 0 "[ . 1 . 2]" 1 1252 2 70 VAL H 2 71 THR MG . . 4.160 4.040 3.639 4.209 0.049 5 0 "[ . 1 . 2]" 1 1253 2 71 THR MG 2 72 ASP H . . 4.250 3.937 3.854 3.986 . 0 0 "[ . 1 . 2]" 1 1254 2 71 THR MG 2 106 TRP HH2 . . 3.800 3.856 3.719 3.896 0.096 13 0 "[ . 1 . 2]" 1 1255 2 71 THR MG 2 106 TRP HZ3 . . 3.550 3.260 2.944 3.385 . 0 0 "[ . 1 . 2]" 1 1256 2 16 ASP HA 2 71 THR MG . . 3.360 3.345 3.107 3.419 0.059 18 0 "[ . 1 . 2]" 1 1257 2 12 LEU HA 2 71 THR MG . . 3.500 2.362 2.287 2.422 . 0 0 "[ . 1 . 2]" 1 1258 2 15 ARG QB 2 71 THR MG . . 2.990 2.663 2.408 3.062 0.072 20 0 "[ . 1 . 2]" 1 1259 2 12 LEU QD 2 71 THR MG . . 3.120 2.119 2.064 2.208 . 0 0 "[ . 1 . 2]" 1 1260 2 40 ILE HA 2 46 THR HA . . 4.820 4.092 3.773 4.387 . 0 0 "[ . 1 . 2]" 1 1261 2 46 THR MG 2 82 ARG H . . 4.550 4.530 4.341 4.618 0.068 12 0 "[ . 1 . 2]" 1 1262 2 46 THR H 2 46 THR MG . . 3.320 2.350 2.283 2.504 . 0 0 "[ . 1 . 2]" 1 1263 2 45 LYS HA 2 46 THR MG . . 3.940 3.032 2.928 3.828 . 0 0 "[ . 1 . 2]" 1 1264 2 46 THR MG 2 82 ARG QD . . 4.270 3.939 3.657 4.483 0.213 9 0 "[ . 1 . 2]" 1 1265 2 46 THR MG 2 81 PRO HB2 . . 3.940 2.530 2.276 2.693 . 0 0 "[ . 1 . 2]" 1 1266 2 40 ILE MD 2 46 THR MG . . 4.410 4.108 4.043 4.169 . 0 0 "[ . 1 . 2]" 1 1267 2 16 ASP QB 2 70 VAL HA . . 4.880 4.411 4.217 4.584 . 0 0 "[ . 1 . 2]" 1 1268 2 39 GLU QB 2 40 ILE HA . . 5.020 4.022 3.846 4.374 . 0 0 "[ . 1 . 2]" 1 1269 2 40 ILE HA 2 42 CYS H . . 4.840 4.261 4.108 4.393 . 0 0 "[ . 1 . 2]" 1 1270 2 60 HIS HA 2 64 TYR H . . 5.360 4.465 4.372 4.553 . 0 0 "[ . 1 . 2]" 1 1271 2 60 HIS HA 2 63 LEU HB2 . . 4.100 2.917 2.749 3.046 . 0 0 "[ . 1 . 2]" 1 1272 2 24 ILE H 2 25 LYS HA . . 5.500 5.335 5.318 5.349 . 0 0 "[ . 1 . 2]" 1 1273 2 25 LYS HA 2 25 LYS QE . . 4.870 4.098 4.051 4.125 . 0 0 "[ . 1 . 2]" 1 1274 2 25 LYS HA 2 26 GLU QB . . 5.500 5.160 5.149 5.181 . 0 0 "[ . 1 . 2]" 1 1275 2 25 LYS HA 2 27 GLU HG3 . . 5.500 5.538 4.734 5.647 0.147 15 0 "[ . 1 . 2]" 1 1276 2 25 LYS HA 2 25 LYS HG3 . . 4.190 4.220 4.206 4.228 0.038 15 0 "[ . 1 . 2]" 1 1277 2 25 LYS HA 2 41 ILE MG . . 3.140 2.217 2.047 2.350 . 0 0 "[ . 1 . 2]" 1 1278 2 25 LYS HA 2 28 ILE MD . . 3.550 2.905 2.672 3.060 . 0 0 "[ . 1 . 2]" 1 1279 2 49 ASP QB 2 50 VAL HA . . 4.910 4.512 4.283 4.656 . 0 0 "[ . 1 . 2]" 1 1280 2 50 VAL HA 2 50 VAL MG1 . . 2.880 2.379 2.302 2.419 . 0 0 "[ . 1 . 2]" 1 1281 2 40 ILE MD 2 50 VAL HA . . 5.500 5.430 5.120 5.567 0.067 9 0 "[ . 1 . 2]" 1 1282 2 12 LEU QD 2 71 THR HA . . 4.340 4.237 4.172 4.319 . 0 0 "[ . 1 . 2]" 1 1283 2 70 VAL H 2 71 THR HA . . 5.200 4.461 4.303 4.582 . 0 0 "[ . 1 . 2]" 1 1284 2 56 ARG HA 2 60 HIS H . . 4.620 3.675 3.511 3.768 . 0 0 "[ . 1 . 2]" 1 1285 2 52 ILE MD 2 56 ARG HA . . 5.500 4.347 4.264 4.492 . 0 0 "[ . 1 . 2]" 1 1286 2 60 HIS HA 2 63 LEU MD1 . . 3.620 2.579 2.356 2.917 . 0 0 "[ . 1 . 2]" 1 1287 2 29 CYS HA 2 30 THR MG . . 5.280 5.136 5.009 5.260 . 0 0 "[ . 1 . 2]" 1 1288 2 29 CYS QB 2 30 THR MG . . 5.500 4.532 4.153 4.679 . 0 0 "[ . 1 . 2]" 1 1289 2 30 THR MG 2 31 LYS QE . . 4.920 3.380 2.400 3.880 . 0 0 "[ . 1 . 2]" 1 1290 2 30 THR MG 2 31 LYS HB2 . . 4.580 4.077 3.921 4.416 . 0 0 "[ . 1 . 2]" 1 1291 2 29 CYS H 2 30 THR MG . . 4.050 4.023 3.914 4.061 0.011 15 0 "[ . 1 . 2]" 1 1292 2 5 PHE HA 2 8 LEU HB2 . . 3.670 3.549 3.510 3.657 . 0 0 "[ . 1 . 2]" 1 1293 2 5 PHE HA 2 9 ARG HG3 . . 5.500 4.915 4.801 4.983 . 0 0 "[ . 1 . 2]" 1 1294 2 5 PHE HA 2 98 PHE HE1 . . 3.180 2.759 2.614 2.829 . 0 0 "[ . 1 . 2]" 1 1295 2 56 ARG HA 2 59 TRP H . . 4.540 2.956 2.852 3.271 . 0 0 "[ . 1 . 2]" 1 1296 2 56 ARG HA 2 60 HIS HD2 . . 5.170 4.015 3.416 4.129 . 0 0 "[ . 1 . 2]" 1 1297 2 59 TRP HA 2 62 ILE HB . . 4.540 2.847 2.775 2.918 . 0 0 "[ . 1 . 2]" 1 1298 2 59 TRP HA 2 101 THR MG . . 3.710 3.735 3.593 3.789 0.079 7 0 "[ . 1 . 2]" 1 1299 2 101 THR MG 2 102 LEU H . . 3.750 3.529 3.460 3.598 . 0 0 "[ . 1 . 2]" 1 1300 2 101 THR MG 2 103 SER H . . 5.290 5.060 5.008 5.119 . 0 0 "[ . 1 . 2]" 1 1301 2 101 THR H 2 101 THR MG . . 3.910 3.755 3.744 3.764 . 0 0 "[ . 1 . 2]" 1 1302 2 97 TYR QE 2 101 THR MG . . 4.620 3.685 3.562 3.813 . 0 0 "[ . 1 . 2]" 1 1303 2 59 TRP HE3 2 101 THR MG . . 3.160 2.753 2.664 2.850 . 0 0 "[ . 1 . 2]" 1 1304 2 59 TRP QB 2 101 THR MG . . 4.250 4.012 3.913 4.111 . 0 0 "[ . 1 . 2]" 1 1305 2 58 ASP QB 2 101 THR MG . . 4.470 3.851 3.732 4.034 . 0 0 "[ . 1 . 2]" 1 1306 2 101 THR MG 2 105 ALA MB . . 3.090 2.999 2.956 3.081 . 0 0 "[ . 1 . 2]" 1 1307 2 62 ILE MD 2 101 THR MG . . 2.700 2.237 2.090 2.329 . 0 0 "[ . 1 . 2]" 1 1308 2 62 ILE MG 2 101 THR MG . . 3.760 3.134 2.928 3.219 . 0 0 "[ . 1 . 2]" 1 1309 2 101 THR MG 2 102 LEU QD . . 4.010 2.514 2.455 2.575 . 0 0 "[ . 1 . 2]" 1 1310 2 47 TYR HA 2 51 ASN H . . 5.500 4.586 4.512 4.786 . 0 0 "[ . 1 . 2]" 1 1311 2 47 TYR HA 2 57 GLY H . . 5.500 5.312 5.168 5.414 . 0 0 "[ . 1 . 2]" 1 1312 2 47 TYR HA 2 57 GLY HA3 . . 4.090 3.654 3.549 3.798 . 0 0 "[ . 1 . 2]" 1 1313 2 47 TYR HA 2 48 ALA MB . . 5.280 4.979 4.943 5.024 . 0 0 "[ . 1 . 2]" 1 1314 2 47 TYR HA 2 50 VAL MG1 . . 4.960 4.367 4.166 4.631 . 0 0 "[ . 1 . 2]" 1 1315 2 47 TYR HA 2 52 ILE MG . . 3.640 2.401 2.261 2.499 . 0 0 "[ . 1 . 2]" 1 1316 2 40 ILE MD 2 47 TYR HA . . 3.830 3.032 2.784 3.279 . 0 0 "[ . 1 . 2]" 1 1317 2 47 TYR HA 2 49 ASP QB . . 5.500 4.435 4.262 4.680 . 0 0 "[ . 1 . 2]" 1 1318 2 46 THR MG 2 47 TYR HA . . 4.680 4.270 3.967 4.367 . 0 0 "[ . 1 . 2]" 1 1319 2 104 LYS HA 2 107 SER H . . 4.030 3.593 3.550 3.647 . 0 0 "[ . 1 . 2]" 1 1320 2 104 LYS HA 2 104 LYS QE . . 4.290 2.656 1.830 4.446 0.156 11 0 "[ . 1 . 2]" 1 1321 2 104 LYS HA 2 105 ALA MB . . 5.200 5.042 5.027 5.054 . 0 0 "[ . 1 . 2]" 1 1322 2 22 GLU HA 2 25 LYS H . . 4.410 4.036 3.943 4.076 . 0 0 "[ . 1 . 2]" 1 1323 2 66 MET HA 2 68 HIS H . . 4.640 4.120 3.959 4.172 . 0 0 "[ . 1 . 2]" 1 1324 2 59 TRP HA 2 62 ILE MD . . 2.960 2.789 2.649 2.886 . 0 0 "[ . 1 . 2]" 1 1325 2 12 LEU QD 2 66 MET HA . . 5.070 4.697 4.568 4.824 . 0 0 "[ . 1 . 2]" 1 1326 2 96 LYS HA 2 99 VAL H . . 4.190 3.299 3.164 3.452 . 0 0 "[ . 1 . 2]" 1 1327 2 96 LYS HA 2 97 TYR HA . . 4.950 4.767 4.735 4.795 . 0 0 "[ . 1 . 2]" 1 1328 2 96 LYS HA 2 99 VAL HB . . 3.690 2.684 2.462 2.824 . 0 0 "[ . 1 . 2]" 1 1329 2 1 THR MG 2 96 LYS HA . . 4.150 2.550 2.114 3.623 . 0 0 "[ . 1 . 2]" 1 1330 2 2 VAL QG 2 96 LYS HA . . 5.500 5.524 5.254 5.621 0.121 10 0 "[ . 1 . 2]" 1 1331 2 96 LYS HA 2 99 VAL QG . . 3.790 3.128 3.009 3.243 . 0 0 "[ . 1 . 2]" 1 1332 2 96 LYS HA 2 100 ILE HB . . 5.500 5.547 5.422 5.601 0.101 10 0 "[ . 1 . 2]" 1 1333 2 55 SER HA 2 57 GLY H . . 5.390 4.521 4.326 4.711 . 0 0 "[ . 1 . 2]" 1 1334 2 84 SER HA 2 86 ALA H . . 4.800 3.707 3.549 3.885 . 0 0 "[ . 1 . 2]" 1 1335 2 51 ASN HA 2 52 ILE HA . . 5.180 4.662 4.613 4.685 . 0 0 "[ . 1 . 2]" 1 1336 2 84 SER HA 2 85 LYS HA . . 5.500 4.384 4.322 4.428 . 0 0 "[ . 1 . 2]" 1 1337 2 16 ASP QB 2 17 SER HA . . 4.990 4.847 4.749 4.953 . 0 0 "[ . 1 . 2]" 1 1338 2 17 SER HA 2 19 LYS QE . . 4.580 4.397 4.160 4.608 0.028 11 0 "[ . 1 . 2]" 1 1339 2 22 GLU HA 2 23 LYS HA . . 5.150 4.672 4.660 4.679 . 0 0 "[ . 1 . 2]" 1 1340 2 23 LYS HA 2 26 GLU HA . . 5.500 5.199 5.106 5.255 . 0 0 "[ . 1 . 2]" 1 1341 2 26 GLU HA 2 29 CYS QB . . 4.210 3.149 2.731 3.404 . 0 0 "[ . 1 . 2]" 1 1342 2 10 LYS HA 2 13 VAL H . . 3.900 3.391 3.294 3.445 . 0 0 "[ . 1 . 2]" 1 1343 2 10 LYS HA 2 10 LYS QE . . 4.770 4.227 4.131 4.403 . 0 0 "[ . 1 . 2]" 1 1344 2 10 LYS HA 2 13 VAL HB . . 3.300 2.672 2.582 2.785 . 0 0 "[ . 1 . 2]" 1 1345 2 10 LYS HA 2 10 LYS QD . . 3.780 3.573 3.541 3.626 . 0 0 "[ . 1 . 2]" 1 1346 2 10 LYS HA 2 12 LEU HB2 . . 5.360 5.332 5.263 5.373 0.013 7 0 "[ . 1 . 2]" 1 1347 2 9 ARG HG3 2 10 LYS HA . . 4.800 4.052 3.984 4.166 . 0 0 "[ . 1 . 2]" 1 1348 2 10 LYS HA 2 13 VAL MG2 . . 3.330 3.417 3.378 3.458 0.128 7 0 "[ . 1 . 2]" 1 1349 2 110 LYS HA 2 114 GLU HB3 . . 5.140 4.938 4.904 4.985 . 0 0 "[ . 1 . 2]" 1 1350 2 110 LYS HA 2 111 LYS HA . . 5.010 4.700 4.678 4.721 . 0 0 "[ . 1 . 2]" 1 1351 2 51 ASN H 2 52 ILE HA . . 5.500 5.445 5.383 5.527 0.027 13 0 "[ . 1 . 2]" 1 1352 2 83 ASP H 2 84 SER HA . . 5.500 5.080 4.997 5.130 . 0 0 "[ . 1 . 2]" 1 1353 2 52 ILE HA 2 52 ILE MG . . 3.520 3.227 3.223 3.231 . 0 0 "[ . 1 . 2]" 1 1354 2 52 ILE HA 2 52 ILE MD . . 3.700 3.681 3.576 3.701 0.001 7 0 "[ . 1 . 2]" 1 1355 2 26 GLU HA 2 26 GLU QB . . 2.580 2.357 2.343 2.368 . 0 0 "[ . 1 . 2]" 1 1356 2 25 LYS HG3 2 26 GLU HA . . 4.740 4.803 4.744 4.829 0.089 16 0 "[ . 1 . 2]" 1 1357 2 26 GLU HA 2 27 GLU H . . 3.560 3.597 3.589 3.607 0.047 13 0 "[ . 1 . 2]" 1 1358 2 6 GLU HA 2 6 GLU QG . . 3.450 3.019 2.504 3.120 . 0 0 "[ . 1 . 2]" 1 1359 2 39 GLU HA 2 39 GLU QG . . 3.580 2.810 2.288 3.016 . 0 0 "[ . 1 . 2]" 1 1360 2 39 GLU HA 2 39 GLU QB . . 2.610 2.386 2.350 2.419 . 0 0 "[ . 1 . 2]" 1 1361 2 27 GLU HA 2 30 THR MG . . 3.620 2.297 2.093 2.510 . 0 0 "[ . 1 . 2]" 1 1362 2 6 GLU HA 2 9 ARG H . . 4.280 3.786 3.664 3.988 . 0 0 "[ . 1 . 2]" 1 1363 2 6 GLU HA 2 10 LYS H . . 4.830 4.229 4.118 4.383 . 0 0 "[ . 1 . 2]" 1 1364 2 27 GLU HA 2 31 LYS H . . 5.500 4.910 4.601 5.372 . 0 0 "[ . 1 . 2]" 1 1365 2 27 GLU HA 2 31 LYS QE . . 4.840 3.951 3.849 4.086 . 0 0 "[ . 1 . 2]" 1 1366 2 27 GLU HA 2 27 GLU QB . . 2.690 2.179 2.169 2.187 . 0 0 "[ . 1 . 2]" 1 1367 2 6 GLU HA 2 9 ARG HG3 . . 4.190 2.565 2.398 2.766 . 0 0 "[ . 1 . 2]" 1 1368 2 106 TRP HZ2 2 110 LYS HA . . 5.500 5.422 5.172 5.547 0.047 19 0 "[ . 1 . 2]" 1 1369 2 110 LYS HA 2 113 LEU H . . 3.810 3.285 3.244 3.324 . 0 0 "[ . 1 . 2]" 1 1370 2 110 LYS HA 2 112 TYR H . . 4.310 3.972 3.919 4.027 . 0 0 "[ . 1 . 2]" 1 1371 2 110 LYS HA 2 112 TYR HD2 . . 5.110 4.679 4.610 4.740 . 0 0 "[ . 1 . 2]" 1 1372 2 110 LYS HA 2 110 LYS QD . . 4.620 4.381 4.187 4.503 . 0 0 "[ . 1 . 2]" 1 1373 2 110 LYS HA 2 113 LEU QD . . 2.940 2.491 2.447 2.532 . 0 0 "[ . 1 . 2]" 1 1374 2 86 ALA MB 2 97 TYR QB . . 4.430 3.962 3.841 4.089 . 0 0 "[ . 1 . 2]" 1 1375 2 112 TYR HA 2 113 LEU H . . 3.520 3.495 3.484 3.503 . 0 0 "[ . 1 . 2]" 1 1376 2 111 LYS QB 2 112 TYR HA . . 4.590 4.653 4.627 4.670 0.080 4 0 "[ . 1 . 2]" 1 1377 2 111 LYS QG 2 112 TYR HA . . 4.290 3.380 3.311 3.485 . 0 0 "[ . 1 . 2]" 1 1378 2 95 GLN HA 2 95 GLN QG . . 3.380 3.354 3.349 3.360 . 0 0 "[ . 1 . 2]" 1 1379 2 98 PHE HA 2 101 THR HB . . 3.530 2.963 2.882 3.044 . 0 0 "[ . 1 . 2]" 1 1380 2 98 PHE HA 2 102 LEU HG . . 5.030 4.735 4.556 4.885 . 0 0 "[ . 1 . 2]" 1 1381 2 98 PHE HA 2 102 LEU QD . . 3.890 2.464 2.344 2.576 . 0 0 "[ . 1 . 2]" 1 1382 2 98 PHE HA 2 101 THR H . . 4.730 3.488 3.444 3.590 . 0 0 "[ . 1 . 2]" 1 1383 2 97 TYR QE 2 98 PHE HA . . 4.980 4.021 3.914 4.159 . 0 0 "[ . 1 . 2]" 1 1384 2 11 GLU HA 2 12 LEU QD . . 5.110 4.943 4.861 5.014 . 0 0 "[ . 1 . 2]" 1 1385 2 66 MET H 2 67 LYS HA . . 5.470 5.241 5.179 5.258 . 0 0 "[ . 1 . 2]" 1 1386 2 67 LYS HA 2 69 GLY H . . 4.460 3.634 3.378 3.729 . 0 0 "[ . 1 . 2]" 1 1387 2 86 ALA MB 2 98 PHE H . . 5.100 5.152 5.100 5.189 0.089 18 0 "[ . 1 . 2]" 1 1388 2 86 ALA MB 2 98 PHE HA . . 5.500 5.019 4.940 5.121 . 0 0 "[ . 1 . 2]" 1 1389 2 86 ALA MB 2 94 THR MG . . 5.050 3.790 3.674 3.872 . 0 0 "[ . 1 . 2]" 1 1390 2 7 GLU HA 2 9 ARG H . . 4.830 4.603 4.569 4.652 . 0 0 "[ . 1 . 2]" 1 1391 2 6 GLU H 2 7 GLU HA . . 5.460 5.318 5.272 5.368 . 0 0 "[ . 1 . 2]" 1 1392 2 7 GLU HA 2 10 LYS QE . . 3.540 3.038 2.911 3.094 . 0 0 "[ . 1 . 2]" 1 1393 2 6 GLU QG 2 7 GLU HA . . 3.970 3.371 3.313 3.404 . 0 0 "[ . 1 . 2]" 1 1394 2 13 VAL H 2 14 LYS HA . . 5.360 5.171 5.150 5.205 . 0 0 "[ . 1 . 2]" 1 1395 2 14 LYS H 2 14 LYS HA . . 2.920 2.904 2.899 2.909 . 0 0 "[ . 1 . 2]" 1 1396 2 14 LYS HA 2 14 LYS QB . . 2.570 2.177 2.169 2.186 . 0 0 "[ . 1 . 2]" 1 1397 2 14 LYS HA 2 14 LYS HG3 . . 3.670 3.615 3.584 3.673 0.003 9 0 "[ . 1 . 2]" 1 1398 2 13 VAL HA 2 14 LYS HA . . 4.880 4.720 4.708 4.736 . 0 0 "[ . 1 . 2]" 1 1399 2 77 LEU H 2 78 GLU HA . . 5.150 5.087 4.973 5.186 0.036 9 0 "[ . 1 . 2]" 1 1400 2 11 GLU HA 2 14 LYS H . . 3.960 3.438 3.347 3.521 . 0 0 "[ . 1 . 2]" 1 1401 2 10 LYS HA 2 11 GLU HA . . 5.220 4.724 4.686 4.752 . 0 0 "[ . 1 . 2]" 1 1402 2 77 LEU HA 2 78 GLU HA . . 5.500 4.715 4.663 4.767 . 0 0 "[ . 1 . 2]" 1 1403 2 11 GLU HA 2 11 GLU HG3 . . 3.090 2.910 2.804 3.147 0.057 5 0 "[ . 1 . 2]" 1 1404 2 11 GLU HA 2 11 GLU QB . . 2.550 2.426 2.356 2.449 . 0 0 "[ . 1 . 2]" 1 1405 2 11 GLU HA 2 13 VAL H . . 4.840 4.317 4.221 4.396 . 0 0 "[ . 1 . 2]" 1 1406 2 11 GLU HA 2 12 LEU HA . . 5.020 4.735 4.696 4.760 . 0 0 "[ . 1 . 2]" 1 1407 2 10 LYS QE 2 11 GLU HA . . 4.270 3.720 3.512 3.936 . 0 0 "[ . 1 . 2]" 1 1408 2 11 GLU HA 2 14 LYS QE . . 4.590 4.016 3.099 4.607 0.017 7 0 "[ . 1 . 2]" 1 1409 2 11 GLU HA 2 14 LYS QB . . 3.470 3.525 3.422 3.602 0.132 13 0 "[ . 1 . 2]" 1 1410 2 64 TYR H 2 65 LEU HA . . 5.470 5.290 5.258 5.340 . 0 0 "[ . 1 . 2]" 1 1411 2 63 LEU HA 2 65 LEU H . . 5.480 4.414 4.326 4.459 . 0 0 "[ . 1 . 2]" 1 1412 2 86 ALA MB 2 98 PHE HB2 . . 4.900 4.766 4.641 4.880 . 0 0 "[ . 1 . 2]" 1 1413 2 77 LEU QD 2 86 ALA MB . . 3.270 2.483 2.091 2.794 . 0 0 "[ . 1 . 2]" 1 1414 2 106 TRP HA 2 109 VAL HB . . 3.990 3.185 2.746 3.910 . 0 0 "[ . 1 . 2]" 1 1415 2 29 CYS HA 2 41 ILE MG . . 5.020 4.320 3.784 4.651 . 0 0 "[ . 1 . 2]" 1 1416 2 28 ILE MG 2 29 CYS HA . . 3.450 3.138 3.007 3.458 0.008 19 0 "[ . 1 . 2]" 1 1417 2 82 ARG HA 2 82 ARG QD . . 4.070 3.696 3.616 3.804 . 0 0 "[ . 1 . 2]" 1 1418 2 110 LYS H 2 111 LYS HA . . 5.470 5.275 5.246 5.297 . 0 0 "[ . 1 . 2]" 1 1419 2 111 LYS HA 2 112 TYR HA . . 4.960 4.726 4.708 4.748 . 0 0 "[ . 1 . 2]" 1 1420 2 111 LYS HA 2 111 LYS QE . . 4.470 4.210 4.122 4.273 . 0 0 "[ . 1 . 2]" 1 1421 2 111 LYS HA 2 111 LYS QB . . 2.550 2.178 2.171 2.187 . 0 0 "[ . 1 . 2]" 1 1422 2 111 LYS HA 2 111 LYS QG . . 3.360 3.340 3.321 3.361 0.001 7 0 "[ . 1 . 2]" 1 1423 2 77 LEU HA 2 79 LEU H . . 4.230 4.270 4.143 4.320 0.090 15 0 "[ . 1 . 2]" 1 1424 2 77 LEU HA 2 80 LEU H . . 3.790 3.769 3.411 3.911 0.121 5 0 "[ . 1 . 2]" 1 1425 2 77 LEU HA 2 77 LEU QD . . 3.090 2.023 1.981 2.069 . 0 0 "[ . 1 . 2]" 1 1426 2 102 LEU HA 2 104 LYS H . . 4.940 4.395 4.345 4.454 . 0 0 "[ . 1 . 2]" 1 1427 2 102 LEU HA 2 102 LEU HG . . 3.740 3.677 3.656 3.687 . 0 0 "[ . 1 . 2]" 1 1428 2 102 LEU HA 2 105 ALA MB . . 3.000 2.450 2.324 2.583 . 0 0 "[ . 1 . 2]" 1 1429 2 62 ILE MG 2 102 LEU HA . . 3.720 3.513 3.368 3.630 . 0 0 "[ . 1 . 2]" 1 1430 2 102 LEU HA 2 102 LEU QD . . 2.990 1.904 1.885 1.921 . 0 0 "[ . 1 . 2]" 1 1431 2 86 ALA H 2 87 LYS HA . . 5.500 5.337 5.309 5.385 . 0 0 "[ . 1 . 2]" 1 1432 2 87 LYS HA 2 89 ASN QB . . 5.190 4.398 4.077 5.167 . 0 0 "[ . 1 . 2]" 1 1433 2 87 LYS HA 2 87 LYS QG . . 3.600 2.771 2.232 3.351 . 0 0 "[ . 1 . 2]" 1 1434 2 77 LEU QD 2 87 LYS HA . . 4.830 3.700 3.413 3.955 . 0 0 "[ . 1 . 2]" 1 1435 2 4 GLU HA 2 4 GLU QG . . 2.900 2.445 2.255 2.877 . 0 0 "[ . 1 . 2]" 1 1436 2 4 GLU HA 2 6 GLU H . . 4.860 4.139 4.073 4.203 . 0 0 "[ . 1 . 2]" 1 1437 2 8 LEU HA 2 106 TRP HD1 . . 4.950 4.583 4.448 4.729 . 0 0 "[ . 1 . 2]" 1 1438 2 8 LEU HA 2 12 LEU HG . . 4.600 4.523 4.461 4.621 0.021 11 0 "[ . 1 . 2]" 1 1439 2 8 LEU HA 2 12 LEU QD . . 4.800 4.581 4.541 4.617 . 0 0 "[ . 1 . 2]" 1 1440 2 8 LEU HA 2 11 GLU H . . 3.770 3.571 3.515 3.649 . 0 0 "[ . 1 . 2]" 1 1441 2 5 PHE HA 2 8 LEU HA . . 5.140 5.220 5.186 5.275 0.135 6 0 "[ . 1 . 2]" 1 1442 2 8 LEU HA 2 8 LEU HG . . 3.560 3.037 3.005 3.065 . 0 0 "[ . 1 . 2]" 1 1443 2 8 LEU HA 2 8 LEU QD . . 2.810 2.057 2.032 2.082 . 0 0 "[ . 1 . 2]" 1 1444 2 58 ASP HA 2 61 VAL HB . . 4.160 2.717 2.581 2.866 . 0 0 "[ . 1 . 2]" 1 1445 2 58 ASP HA 2 61 VAL MG1 . . 4.070 3.994 3.813 4.096 0.026 4 0 "[ . 1 . 2]" 1 1446 2 58 ASP HA 2 62 ILE HG13 . . 4.220 3.839 3.761 3.885 . 0 0 "[ . 1 . 2]" 1 1447 2 58 ASP HA 2 62 ILE MD . . 4.480 4.016 3.904 4.142 . 0 0 "[ . 1 . 2]" 1 1448 2 74 ASP HA 2 78 GLU H . . 4.630 4.354 4.230 4.531 . 0 0 "[ . 1 . 2]" 1 1449 2 74 ASP HA 2 77 LEU QB . . 5.500 3.304 2.907 3.787 . 0 0 "[ . 1 . 2]" 1 1450 2 67 LYS H 2 68 HIS HA . . 5.260 5.185 5.108 5.204 . 0 0 "[ . 1 . 2]" 1 1451 2 47 TYR H 2 48 ALA MB . . 4.030 3.403 3.359 3.452 . 0 0 "[ . 1 . 2]" 1 1452 2 48 ALA H 2 48 ALA MB . . 2.830 2.185 2.177 2.198 . 0 0 "[ . 1 . 2]" 1 1453 2 48 ALA MB 2 51 ASN H . . 4.370 4.281 4.167 4.389 0.019 13 0 "[ . 1 . 2]" 1 1454 2 48 ALA MB 2 49 ASP H . . 3.060 2.945 2.883 2.996 . 0 0 "[ . 1 . 2]" 1 1455 2 48 ALA MB 2 50 VAL H . . 4.780 4.593 4.494 4.650 . 0 0 "[ . 1 . 2]" 1 1456 2 47 TYR HD2 2 48 ALA MB . . 5.000 3.782 3.514 4.063 . 0 0 "[ . 1 . 2]" 1 1457 2 45 LYS HA 2 48 ALA MB . . 4.610 4.088 3.940 4.341 . 0 0 "[ . 1 . 2]" 1 1458 2 46 THR MG 2 48 ALA MB . . 5.500 3.700 3.614 3.946 . 0 0 "[ . 1 . 2]" 1 1459 2 24 ILE HA 2 24 ILE MG . . 2.740 2.635 2.605 2.661 . 0 0 "[ . 1 . 2]" 1 1460 2 24 ILE MG 2 25 LYS QE . . 4.560 3.760 3.631 3.837 . 0 0 "[ . 1 . 2]" 1 1461 2 24 ILE MG 2 27 GLU H . . 5.200 4.997 4.951 5.019 . 0 0 "[ . 1 . 2]" 1 1462 2 24 ILE MG 2 28 ILE H . . 5.470 4.568 4.522 4.642 . 0 0 "[ . 1 . 2]" 1 1463 2 24 ILE H 2 24 ILE MG . . 3.670 3.652 3.639 3.674 0.004 11 0 "[ . 1 . 2]" 1 1464 2 24 ILE MG 2 65 LEU HA . . 4.990 4.627 4.510 4.827 . 0 0 "[ . 1 . 2]" 1 1465 2 24 ILE MG 2 65 LEU MD2 . . 3.960 2.301 2.186 2.398 . 0 0 "[ . 1 . 2]" 1 1466 2 24 ILE MG 2 25 LYS HB3 . . 3.850 3.479 3.429 3.555 . 0 0 "[ . 1 . 2]" 1 1467 2 24 ILE MG 2 28 ILE MD . . 5.500 2.160 2.071 2.325 . 0 0 "[ . 1 . 2]" 1 1468 2 68 HIS HA 2 70 VAL H . . 5.260 4.685 4.509 4.874 . 0 0 "[ . 1 . 2]" 1 1469 2 48 ALA MB 2 49 ASP HA . . 4.010 3.947 3.896 3.983 . 0 0 "[ . 1 . 2]" 1 1470 2 49 ASP HA 2 50 VAL MG1 . . 4.630 4.374 4.288 4.478 . 0 0 "[ . 1 . 2]" 1 1471 2 49 ASP HA 2 51 ASN H . . 4.240 4.141 4.056 4.235 . 0 0 "[ . 1 . 2]" 1 1472 2 23 LYS HA 2 25 LYS H . . 4.810 4.627 4.572 4.710 . 0 0 "[ . 1 . 2]" 1 1473 2 23 LYS HA 2 24 ILE HA . . 5.010 4.779 4.754 4.792 . 0 0 "[ . 1 . 2]" 1 1474 2 23 LYS HA 2 23 LYS QE . . 4.020 2.383 2.343 2.422 . 0 0 "[ . 1 . 2]" 1 1475 2 22 GLU QG 2 23 LYS HA . . 3.820 3.588 3.549 3.626 . 0 0 "[ . 1 . 2]" 1 1476 2 23 LYS HA 2 26 GLU QB . . 2.920 2.313 2.190 2.362 . 0 0 "[ . 1 . 2]" 1 1477 2 23 LYS HA 2 23 LYS QD . . 3.030 2.064 2.046 2.078 . 0 0 "[ . 1 . 2]" 1 1478 2 23 LYS HA 2 23 LYS HG2 . . 3.320 3.185 3.130 3.207 . 0 0 "[ . 1 . 2]" 1 1479 2 76 ILE MG 2 77 LEU H . . 3.520 3.378 3.151 3.556 0.036 20 0 "[ . 1 . 2]" 1 1480 2 76 ILE H 2 76 ILE MG . . 3.850 3.708 3.685 3.724 . 0 0 "[ . 1 . 2]" 1 1481 2 76 ILE MG 2 98 PHE HD2 . . 3.960 3.695 3.436 3.819 . 0 0 "[ . 1 . 2]" 1 1482 2 76 ILE HA 2 76 ILE MG . . 3.670 2.484 2.433 2.535 . 0 0 "[ . 1 . 2]" 1 1483 2 62 ILE HG12 2 76 ILE MG . . 3.370 2.305 2.097 2.504 . 0 0 "[ . 1 . 2]" 1 1484 2 76 ILE MG 2 77 LEU QB . . 4.010 3.764 3.667 3.838 . 0 0 "[ . 1 . 2]" 1 1485 2 76 ILE MG 2 79 LEU HG . . 4.360 3.852 3.737 3.968 . 0 0 "[ . 1 . 2]" 1 1486 2 76 ILE HG13 2 76 ILE MG . . 3.380 2.403 2.370 2.443 . 0 0 "[ . 1 . 2]" 1 1487 2 76 ILE MG 2 102 LEU QD . . 3.080 1.968 1.816 2.102 . 0 0 "[ . 1 . 2]" 1 1488 2 63 LEU H 2 105 ALA MB . . 4.410 4.106 4.029 4.225 . 0 0 "[ . 1 . 2]" 1 1489 2 76 ILE MG 2 102 LEU HG . . 3.900 3.643 3.520 3.759 . 0 0 "[ . 1 . 2]" 1 1490 2 63 LEU MD1 2 105 ALA MB . . 3.820 3.853 3.816 3.886 0.066 16 0 "[ . 1 . 2]" 1 1491 2 12 LEU QD 2 76 ILE MG . . 5.390 4.306 4.116 4.548 . 0 0 "[ . 1 . 2]" 1 1492 2 12 LEU QD 2 105 ALA MB . . 5.500 4.721 4.665 4.864 . 0 0 "[ . 1 . 2]" 1 1493 2 40 ILE MG 2 61 VAL H . . 5.380 5.040 4.885 5.204 . 0 0 "[ . 1 . 2]" 1 1494 2 40 ILE MG 2 41 ILE H . . 3.460 3.474 3.403 3.529 0.069 13 0 "[ . 1 . 2]" 1 1495 2 40 ILE MG 2 42 CYS H . . 4.950 4.954 4.871 5.015 0.065 13 0 "[ . 1 . 2]" 1 1496 2 40 ILE MG 2 45 LYS HA . . 5.500 5.382 5.140 5.569 0.069 1 0 "[ . 1 . 2]" 1 1497 2 40 ILE MG 2 47 TYR HA . . 5.500 4.747 4.605 4.979 . 0 0 "[ . 1 . 2]" 1 1498 2 40 ILE MG 2 41 ILE HA . . 3.740 3.475 3.372 3.569 . 0 0 "[ . 1 . 2]" 1 1499 2 40 ILE HA 2 40 ILE MG . . 3.130 2.427 2.387 2.473 . 0 0 "[ . 1 . 2]" 1 1500 2 40 ILE MG 2 61 VAL HB . . 4.300 4.119 4.034 4.185 . 0 0 "[ . 1 . 2]" 1 1501 2 40 ILE MG 2 61 VAL MG1 . . 3.020 3.088 3.050 3.119 0.099 19 0 "[ . 1 . 2]" 1 1502 2 100 ILE HA 2 100 ILE MG . . 3.180 2.512 2.487 2.529 . 0 0 "[ . 1 . 2]" 1 1503 2 62 ILE MG 2 65 LEU H . . 4.640 4.693 4.654 4.716 0.076 15 0 "[ . 1 . 2]" 1 1504 2 62 ILE MG 2 63 LEU H . . 3.880 3.306 3.260 3.371 . 0 0 "[ . 1 . 2]" 1 1505 2 59 TRP HA 2 62 ILE MG . . 4.710 4.124 4.044 4.212 . 0 0 "[ . 1 . 2]" 1 1506 2 62 ILE HA 2 62 ILE MG . . 3.090 2.530 2.514 2.550 . 0 0 "[ . 1 . 2]" 1 1507 2 62 ILE HG12 2 62 ILE MG . . 3.320 2.309 2.288 2.324 . 0 0 "[ . 1 . 2]" 1 1508 2 62 ILE MG 2 76 ILE HG13 . . 4.230 3.770 3.577 3.935 . 0 0 "[ . 1 . 2]" 1 1509 2 62 ILE MG 2 105 ALA MB . . 2.580 2.166 2.111 2.221 . 0 0 "[ . 1 . 2]" 1 1510 2 62 ILE MG 2 102 LEU QD . . 3.050 2.399 2.293 2.515 . 0 0 "[ . 1 . 2]" 1 1511 2 12 LEU QD 2 62 ILE MG . . 5.100 4.462 4.391 4.624 . 0 0 "[ . 1 . 2]" 1 1512 2 114 GLU HA 2 115 ALA H . . 3.400 2.360 2.325 2.386 . 0 0 "[ . 1 . 2]" 1 1513 2 111 LYS HA 2 114 GLU HA . . 4.810 4.757 4.689 4.810 . 0 0 "[ . 1 . 2]" 1 1514 2 114 GLU HA 2 114 GLU HB3 . . 2.850 2.515 2.490 2.525 . 0 0 "[ . 1 . 2]" 1 1515 2 113 LEU QB 2 114 GLU HA . . 4.780 4.775 4.756 4.795 0.015 14 0 "[ . 1 . 2]" 1 1516 2 113 LEU QD 2 114 GLU HA . . 4.110 2.792 2.756 2.847 . 0 0 "[ . 1 . 2]" 1 1517 2 41 ILE H 2 41 ILE MG . . 3.840 3.741 3.710 3.768 . 0 0 "[ . 1 . 2]" 1 1518 2 25 LYS H 2 41 ILE MG . . 4.400 4.303 4.121 4.423 0.023 7 0 "[ . 1 . 2]" 1 1519 2 41 ILE MG 2 42 CYS H . . 3.750 3.653 3.551 3.751 0.001 18 0 "[ . 1 . 2]" 1 1520 2 41 ILE MG 2 64 TYR HE2 . . 4.920 4.449 4.225 4.659 . 0 0 "[ . 1 . 2]" 1 1521 2 25 LYS QE 2 41 ILE MG . . 4.500 4.353 4.153 4.514 0.014 11 0 "[ . 1 . 2]" 1 1522 2 28 ILE MG 2 41 ILE MG . . 2.570 2.110 2.049 2.190 . 0 0 "[ . 1 . 2]" 1 1523 2 28 ILE MG 2 42 CYS HA . . 5.220 5.262 4.916 5.350 0.130 6 0 "[ . 1 . 2]" 1 1524 2 41 ILE MG 2 42 CYS HA . . 3.720 3.458 3.316 3.611 . 0 0 "[ . 1 . 2]" 1 1525 2 88 GLU HA 2 88 GLU QG . . 3.430 2.730 2.281 2.994 . 0 0 "[ . 1 . 2]" 1 1526 2 87 LYS QG 2 88 GLU HA . . 4.740 3.850 3.394 4.348 . 0 0 "[ . 1 . 2]" 1 1527 2 28 ILE H 2 28 ILE MG . . 3.690 3.698 3.660 3.723 0.033 20 0 "[ . 1 . 2]" 1 1528 2 28 ILE MG 2 64 TYR HD2 . . 5.500 4.253 3.769 4.706 . 0 0 "[ . 1 . 2]" 1 1529 2 28 ILE MG 2 64 TYR HE2 . . 5.500 2.729 2.109 3.292 . 0 0 "[ . 1 . 2]" 1 1530 2 28 ILE HA 2 28 ILE MG . . 2.930 2.507 2.453 2.563 . 0 0 "[ . 1 . 2]" 1 1531 2 28 ILE MG 2 41 ILE HB . . 3.890 2.479 2.239 2.615 . 0 0 "[ . 1 . 2]" 1 1532 2 28 ILE MG 2 31 LYS HB2 . . 5.500 3.888 3.623 4.261 . 0 0 "[ . 1 . 2]" 1 1533 2 45 LYS HA 2 46 THR H . . 3.280 2.531 2.420 2.583 . 0 0 "[ . 1 . 2]" 1 1534 2 45 LYS HA 2 49 ASP QB . . 4.630 4.532 4.429 4.636 0.006 15 0 "[ . 1 . 2]" 1 1535 2 45 LYS HA 2 45 LYS HG2 . . 3.240 3.102 2.777 3.157 . 0 0 "[ . 1 . 2]" 1 1536 2 78 GLU H 2 79 LEU HA . . 5.220 5.105 5.016 5.188 . 0 0 "[ . 1 . 2]" 1 1537 2 79 LEU HA 2 79 LEU HG . . 3.720 3.725 3.706 3.746 0.026 3 0 "[ . 1 . 2]" 1 1538 2 112 TYR HD2 2 113 LEU HA . . 4.470 4.060 3.971 4.121 . 0 0 "[ . 1 . 2]" 1 1539 2 30 THR H 2 31 LYS HA . . 5.200 5.030 4.739 5.163 . 0 0 "[ . 1 . 2]" 1 1540 2 31 LYS HA 2 31 LYS QE . . 4.830 4.587 4.035 4.915 0.085 3 0 "[ . 1 . 2]" 1 1541 2 31 LYS HA 2 31 LYS QD . . 4.150 3.885 2.111 4.013 . 0 0 "[ . 1 . 2]" 1 1542 2 105 ALA HA 2 109 VAL H . . 4.620 4.490 4.304 4.603 . 0 0 "[ . 1 . 2]" 1 1543 2 63 LEU MD1 2 105 ALA HA . . 4.090 3.808 3.642 3.884 . 0 0 "[ . 1 . 2]" 1 1544 2 105 ALA HA 2 108 VAL HB . . 4.210 3.352 2.852 4.233 0.023 8 0 "[ . 1 . 2]" 1 1545 2 62 ILE MG 2 105 ALA HA . . 4.780 4.468 4.413 4.535 . 0 0 "[ . 1 . 2]" 1 1546 2 15 ARG HA 2 16 ASP HA . . 4.880 4.860 4.835 4.881 0.001 8 0 "[ . 1 . 2]" 1 1547 2 15 ARG HA 2 15 ARG QG . . 3.090 2.656 2.345 2.758 . 0 0 "[ . 1 . 2]" 1 1548 2 14 LYS HG3 2 15 ARG HA . . 4.280 3.991 3.786 4.067 . 0 0 "[ . 1 . 2]" 1 1549 2 15 ARG HA 2 16 ASP QB . . 5.300 5.075 4.995 5.116 . 0 0 "[ . 1 . 2]" 1 1550 2 47 TYR HA 2 48 ALA HA . . 4.910 4.814 4.777 4.846 . 0 0 "[ . 1 . 2]" 1 1551 2 48 ALA HA 2 51 ASN HA . . 3.770 2.823 2.674 3.028 . 0 0 "[ . 1 . 2]" 1 1552 2 47 TYR H 2 52 ILE MG . . 5.140 4.768 4.695 4.846 . 0 0 "[ . 1 . 2]" 1 1553 2 48 ALA H 2 52 ILE MG . . 5.240 4.959 4.861 5.060 . 0 0 "[ . 1 . 2]" 1 1554 2 52 ILE MG 2 57 GLY HA3 . . 3.470 2.697 2.625 2.797 . 0 0 "[ . 1 . 2]" 1 1555 2 40 ILE MD 2 52 ILE MG . . 4.510 4.207 4.015 4.367 . 0 0 "[ . 1 . 2]" 1 1556 2 52 ILE MG 2 57 GLY H . . 3.790 2.725 2.618 2.823 . 0 0 "[ . 1 . 2]" 1 1557 2 51 ASN HA 2 52 ILE MG . . 4.810 4.524 4.423 4.642 . 0 0 "[ . 1 . 2]" 1 1558 2 52 ILE MG 2 57 GLY HA2 . . 3.810 2.607 2.536 2.752 . 0 0 "[ . 1 . 2]" 1 1559 2 52 ILE MD 2 52 ILE MG . . 2.930 2.045 2.025 2.100 . 0 0 "[ . 1 . 2]" 1 1560 2 44 ASN HA 2 45 LYS H . . 3.390 3.358 3.288 3.392 0.002 1 0 "[ . 1 . 2]" 1 1561 2 44 ASN HA 2 45 LYS HG2 . . 5.250 5.299 5.269 5.329 0.079 6 0 "[ . 1 . 2]" 1 1562 2 19 LYS HA 2 20 PRO HD2 . . 3.360 2.297 2.220 2.360 . 0 0 "[ . 1 . 2]" 1 1563 2 19 LYS HA 2 19 LYS QE . . 4.660 4.285 3.946 4.505 . 0 0 "[ . 1 . 2]" 1 1564 2 19 LYS HA 2 20 PRO HG2 . . 4.620 4.469 4.396 4.522 . 0 0 "[ . 1 . 2]" 1 1565 2 52 ILE MG 2 53 ASP HA . . 4.870 4.119 3.812 4.233 . 0 0 "[ . 1 . 2]" 1 1566 2 53 ASP HA 2 54 ARG QB . . 4.780 4.337 4.264 4.403 . 0 0 "[ . 1 . 2]" 1 1567 2 50 VAL H 2 51 ASN HA . . 4.920 4.246 4.208 4.302 . 0 0 "[ . 1 . 2]" 1 1568 2 48 ALA MB 2 51 ASN HA . . 4.490 4.377 4.196 4.555 0.065 20 0 "[ . 1 . 2]" 1 1569 2 22 GLU H 2 24 ILE MD . . 4.950 4.295 4.215 4.349 . 0 0 "[ . 1 . 2]" 1 1570 2 24 ILE MD 2 25 LYS H . . 4.290 4.243 4.177 4.274 . 0 0 "[ . 1 . 2]" 1 1571 2 19 LYS H 2 24 ILE MD . . 4.710 3.994 3.814 4.204 . 0 0 "[ . 1 . 2]" 1 1572 2 24 ILE MD 2 25 LYS QE . . 5.500 4.943 4.805 5.026 . 0 0 "[ . 1 . 2]" 1 1573 2 24 ILE HB 2 24 ILE MD . . 3.230 2.389 2.364 2.412 . 0 0 "[ . 1 . 2]" 1 1574 2 20 PRO HA 2 24 ILE MD . . 5.010 3.964 3.882 4.085 . 0 0 "[ . 1 . 2]" 1 1575 2 62 ILE H 2 62 ILE MD . . 3.640 3.423 3.379 3.453 . 0 0 "[ . 1 . 2]" 1 1576 2 62 ILE MD 2 102 LEU H . . 5.410 5.149 5.003 5.322 . 0 0 "[ . 1 . 2]" 1 1577 2 62 ILE MD 2 63 LEU H . . 4.670 4.680 4.643 4.702 0.032 18 0 "[ . 1 . 2]" 1 1578 2 62 ILE MD 2 101 THR HB . . 4.390 3.947 3.738 4.107 . 0 0 "[ . 1 . 2]" 1 1579 2 62 ILE HB 2 62 ILE MD . . 3.220 2.297 2.271 2.317 . 0 0 "[ . 1 . 2]" 1 1580 2 62 ILE MD 2 76 ILE MG . . 3.500 2.782 2.568 2.957 . 0 0 "[ . 1 . 2]" 1 1581 2 62 ILE MD 2 105 ALA MB . . 3.910 3.501 3.407 3.570 . 0 0 "[ . 1 . 2]" 1 1582 2 62 ILE MD 2 62 ILE MG . . 2.570 2.010 1.996 2.026 . 0 0 "[ . 1 . 2]" 1 1583 2 62 ILE MD 2 102 LEU QD . . 3.480 2.725 2.566 2.888 . 0 0 "[ . 1 . 2]" 1 1584 2 100 ILE H 2 100 ILE MD . . 4.160 3.399 3.328 3.439 . 0 0 "[ . 1 . 2]" 1 1585 2 92 TRP HZ3 2 100 ILE MD . . 3.970 2.841 2.690 2.953 . 0 0 "[ . 1 . 2]" 1 1586 2 100 ILE HB 2 100 ILE MD . . 3.220 2.267 2.243 2.281 . 0 0 "[ . 1 . 2]" 1 1587 2 100 ILE MD 2 100 ILE MG . . 2.980 2.019 2.001 2.041 . 0 0 "[ . 1 . 2]" 1 1588 2 99 VAL QG 2 100 ILE MD . . 4.520 4.346 4.291 4.417 . 0 0 "[ . 1 . 2]" 1 1589 2 52 ILE MD 2 57 GLY HA2 . . 3.580 3.090 2.778 3.617 0.037 13 0 "[ . 1 . 2]" 1 1590 2 52 ILE MD 2 56 ARG HB2 . . 4.470 2.678 2.468 3.117 . 0 0 "[ . 1 . 2]" 1 1591 2 52 ILE HB 2 52 ILE MD . . 2.790 2.276 2.188 2.297 . 0 0 "[ . 1 . 2]" 1 1592 2 79 LEU QD 2 80 LEU HA . . 3.390 2.619 2.452 2.797 . 0 0 "[ . 1 . 2]" 1 1593 2 12 LEU QD 2 76 ILE MD . . 4.640 4.422 4.347 4.506 . 0 0 "[ . 1 . 2]" 1 1594 2 66 MET H 2 76 ILE MD . . 5.060 4.504 4.214 4.649 . 0 0 "[ . 1 . 2]" 1 1595 2 76 ILE MD 2 77 LEU H . . 4.940 4.824 4.774 4.869 . 0 0 "[ . 1 . 2]" 1 1596 2 76 ILE MD 2 79 LEU H . . 5.270 5.179 4.988 5.292 0.022 5 0 "[ . 1 . 2]" 1 1597 2 71 THR HA 2 76 ILE MD . . 3.980 3.068 2.785 3.338 . 0 0 "[ . 1 . 2]" 1 1598 2 76 ILE HA 2 76 ILE MD . . 3.200 2.013 1.985 2.050 . 0 0 "[ . 1 . 2]" 1 1599 2 62 ILE HA 2 76 ILE MD . . 4.240 2.812 2.603 2.951 . 0 0 "[ . 1 . 2]" 1 1600 2 76 ILE MD 2 79 LEU HG . . 3.960 3.705 3.486 3.920 . 0 0 "[ . 1 . 2]" 1 1601 2 76 ILE MD 2 76 ILE MG . . 2.630 1.984 1.959 2.006 . 0 0 "[ . 1 . 2]" 1 1602 2 76 ILE MD 2 79 LEU QD . . 2.550 2.166 2.109 2.245 . 0 0 "[ . 1 . 2]" 1 1603 2 76 ILE MD 2 102 LEU QD . . 3.170 3.195 3.174 3.227 0.057 5 0 "[ . 1 . 2]" 1 1604 2 86 ALA HA 2 98 PHE H . . 5.500 5.543 5.412 5.632 0.132 16 0 "[ . 1 . 2]" 1 1605 2 86 ALA HA 2 94 THR HB . . 4.400 2.699 2.548 2.780 . 0 0 "[ . 1 . 2]" 1 1606 2 46 THR MG 2 83 ASP HA . . 5.500 5.536 5.388 5.677 0.177 7 0 "[ . 1 . 2]" 1 1607 2 12 LEU QD 2 72 ASP HA . . 5.040 3.490 3.036 3.597 . 0 0 "[ . 1 . 2]" 1 1608 2 72 ASP HA 2 75 LYS H . . 5.030 4.710 4.574 5.050 0.020 19 0 "[ . 1 . 2]" 1 1609 2 12 LEU HA 2 72 ASP HA . . 5.500 5.193 4.869 5.404 . 0 0 "[ . 1 . 2]" 1 1610 2 13 VAL MG2 2 72 ASP HA . . 3.620 3.502 3.393 3.609 . 0 0 "[ . 1 . 2]" 1 1611 2 71 THR MG 2 72 ASP HA . . 4.310 3.948 3.836 4.044 . 0 0 "[ . 1 . 2]" 1 1612 2 12 LEU HG 2 72 ASP HA . . 5.500 5.506 4.968 5.627 0.127 11 0 "[ . 1 . 2]" 1 1613 2 41 ILE H 2 41 ILE MD . . 3.580 3.598 3.530 3.652 0.072 1 0 "[ . 1 . 2]" 1 1614 2 25 LYS H 2 41 ILE MD . . 5.500 5.541 5.448 5.592 0.092 3 0 "[ . 1 . 2]" 1 1615 2 40 ILE H 2 41 ILE MD . . 5.500 5.395 5.289 5.530 0.030 20 0 "[ . 1 . 2]" 1 1616 2 41 ILE MD 2 42 CYS H . . 4.760 4.808 4.777 4.826 0.066 3 0 "[ . 1 . 2]" 1 1617 2 41 ILE MD 2 64 TYR HD2 . . 4.650 3.991 3.746 4.110 . 0 0 "[ . 1 . 2]" 1 1618 2 41 ILE MD 2 64 TYR HE2 . . 4.570 4.608 4.579 4.643 0.073 19 0 "[ . 1 . 2]" 1 1619 2 41 ILE HA 2 41 ILE MD . . 2.870 2.002 1.968 2.051 . 0 0 "[ . 1 . 2]" 1 1620 2 41 ILE MD 2 61 VAL HA . . 4.710 4.228 4.061 4.377 . 0 0 "[ . 1 . 2]" 1 1621 2 25 LYS QE 2 41 ILE MD . . 5.450 5.211 5.094 5.393 . 0 0 "[ . 1 . 2]" 1 1622 2 41 ILE HB 2 41 ILE MD . . 3.270 3.249 3.237 3.259 . 0 0 "[ . 1 . 2]" 1 1623 2 37 ILE MD 2 41 ILE MD . . 3.640 3.470 2.921 3.685 0.045 12 0 "[ . 1 . 2]" 1 1624 2 41 ILE MD 2 65 LEU H . . 5.500 5.443 5.154 5.554 0.054 18 0 "[ . 1 . 2]" 1 1625 2 13 VAL MG2 2 73 PRO QD . . 3.520 2.698 2.553 2.919 . 0 0 "[ . 1 . 2]" 1 1626 2 73 PRO QD 2 75 LYS H . . 4.940 4.519 4.289 4.684 . 0 0 "[ . 1 . 2]" 1 1627 2 72 ASP HA 2 73 PRO QD . . 3.410 2.020 1.951 2.151 . 0 0 "[ . 1 . 2]" 1 1628 2 9 ARG HG3 2 73 PRO QD . . 5.500 5.545 5.371 5.656 0.156 5 0 "[ . 1 . 2]" 1 1629 2 73 PRO QD 2 102 LEU HG . . 5.500 5.367 5.162 5.550 0.050 1 0 "[ . 1 . 2]" 1 1630 2 71 THR MG 2 73 PRO QD . . 5.190 4.748 4.481 5.007 . 0 0 "[ . 1 . 2]" 1 1631 2 12 LEU QD 2 73 PRO QD . . 4.830 2.630 2.476 2.875 . 0 0 "[ . 1 . 2]" 1 1632 2 13 VAL H 2 73 PRO QD . . 5.030 4.367 4.234 4.530 . 0 0 "[ . 1 . 2]" 1 1633 2 20 PRO HD2 2 23 LYS H . . 4.470 4.189 4.105 4.237 . 0 0 "[ . 1 . 2]" 1 1634 2 20 PRO HD2 2 23 LYS QE . . 4.760 4.740 4.634 4.779 0.019 20 0 "[ . 1 . 2]" 1 1635 2 19 LYS QG 2 20 PRO HD2 . . 4.670 3.611 3.205 4.275 . 0 0 "[ . 1 . 2]" 1 1636 2 20 PRO HD2 2 23 LYS QD . . 4.250 4.228 4.144 4.286 0.036 15 0 "[ . 1 . 2]" 1 1637 2 20 PRO HD2 2 23 LYS HG2 . . 3.340 2.776 2.654 2.858 . 0 0 "[ . 1 . 2]" 1 1638 2 40 ILE MD 2 48 ALA H . . 5.180 4.271 4.111 4.429 . 0 0 "[ . 1 . 2]" 1 1639 2 40 ILE MD 2 41 ILE H . . 5.500 4.751 4.691 4.807 . 0 0 "[ . 1 . 2]" 1 1640 2 40 ILE MD 2 46 THR H . . 4.680 3.014 2.892 3.175 . 0 0 "[ . 1 . 2]" 1 1641 2 40 ILE H 2 40 ILE MD . . 3.440 3.463 3.353 3.548 0.108 14 0 "[ . 1 . 2]" 1 1642 2 40 ILE MD 2 50 VAL H . . 4.190 3.492 3.239 3.614 . 0 0 "[ . 1 . 2]" 1 1643 2 40 ILE MD 2 46 THR HA . . 3.570 2.355 2.060 2.437 . 0 0 "[ . 1 . 2]" 1 1644 2 40 ILE MD 2 46 THR HB . . 4.380 4.416 4.254 4.469 0.089 15 0 "[ . 1 . 2]" 1 1645 2 40 ILE HA 2 40 ILE MD . . 2.880 1.970 1.943 1.995 . 0 0 "[ . 1 . 2]" 1 1646 2 40 ILE MD 2 49 ASP QB . . 4.620 2.259 2.117 2.501 . 0 0 "[ . 1 . 2]" 1 1647 2 40 ILE MD 2 57 GLY HA3 . . 4.810 4.879 4.815 4.927 0.117 13 0 "[ . 1 . 2]" 1 1648 2 39 GLU QG 2 40 ILE MD . . 5.040 4.688 3.533 5.204 0.164 8 0 "[ . 1 . 2]" 1 1649 2 40 ILE MD 2 45 LYS HB2 . . 3.060 2.623 2.356 2.892 . 0 0 "[ . 1 . 2]" 1 1650 2 40 ILE MD 2 40 ILE MG . . 2.660 2.016 1.977 2.058 . 0 0 "[ . 1 . 2]" 1 1651 2 37 ILE MD 2 64 TYR HD2 . . 3.630 3.068 2.705 3.233 . 0 0 "[ . 1 . 2]" 1 1652 2 37 ILE MD 2 61 VAL HA . . 2.980 2.237 2.095 2.349 . 0 0 "[ . 1 . 2]" 1 1653 2 37 ILE MD 2 61 VAL HB . . 4.550 4.427 4.279 4.505 . 0 0 "[ . 1 . 2]" 1 1654 2 37 ILE MD 2 65 LEU MD2 . . 4.320 4.098 3.633 4.319 . 0 0 "[ . 1 . 2]" 1 1655 2 37 ILE MD 2 61 VAL MG1 . . 3.220 3.069 2.785 3.228 0.008 18 0 "[ . 1 . 2]" 1 1656 2 46 THR MG 2 57 GLY HA3 . . 5.500 5.476 4.910 5.583 0.083 7 0 "[ . 1 . 2]" 1 1657 2 52 ILE HB 2 57 GLY HA3 . . 5.500 5.534 5.415 5.677 0.177 13 0 "[ . 1 . 2]" 1 1658 2 52 ILE MD 2 57 GLY HA3 . . 4.670 4.083 3.854 4.488 . 0 0 "[ . 1 . 2]" 1 1659 2 68 HIS HA 2 68 HIS HE1 . . 5.500 5.395 5.301 5.472 . 0 0 "[ . 1 . 2]" 1 1660 2 64 TYR HE2 2 68 HIS HE1 . . 3.970 3.514 3.107 3.996 0.026 2 0 "[ . 1 . 2]" 1 1661 2 28 ILE MD 2 68 HIS HE1 . . 4.540 4.152 3.791 4.569 0.029 5 0 "[ . 1 . 2]" 1 1662 2 31 LYS HB2 2 68 HIS HE1 . . 4.750 4.666 3.744 4.824 0.074 4 0 "[ . 1 . 2]" 1 1663 2 31 LYS QD 2 68 HIS HE1 . . 4.790 3.116 2.170 4.845 0.055 12 0 "[ . 1 . 2]" 1 1664 2 97 TYR HD1 2 101 THR MG . . 5.500 5.392 5.159 5.524 0.024 1 0 "[ . 1 . 2]" 1 1665 2 92 TRP HE3 2 97 TYR HD1 . . 4.410 4.009 3.781 4.411 0.001 3 0 "[ . 1 . 2]" 1 1666 2 97 TYR HA 2 97 TYR HD1 . . 3.870 3.031 2.919 3.099 . 0 0 "[ . 1 . 2]" 1 1667 2 97 TYR HD1 2 100 ILE MD . . 4.920 4.523 4.295 4.698 . 0 0 "[ . 1 . 2]" 1 1668 2 97 TYR H 2 97 TYR HD1 . . 5.210 5.033 5.003 5.082 . 0 0 "[ . 1 . 2]" 1 1669 2 97 TYR HD1 2 100 ILE MG . . 4.980 4.793 4.573 4.962 . 0 0 "[ . 1 . 2]" 1 1670 2 97 TYR HD2 2 98 PHE H . . 3.760 2.919 2.795 3.004 . 0 0 "[ . 1 . 2]" 1 1671 2 97 TYR HD2 2 98 PHE HA . . 4.020 3.329 3.182 3.533 . 0 0 "[ . 1 . 2]" 1 1672 2 86 ALA H 2 97 TYR HD2 . . 5.080 5.107 4.968 5.192 0.112 19 0 "[ . 1 . 2]" 1 1673 2 94 THR HA 2 97 TYR HD2 . . 4.240 3.353 3.085 3.486 . 0 0 "[ . 1 . 2]" 1 1674 2 86 ALA HA 2 97 TYR HD2 . . 3.850 3.222 3.174 3.272 . 0 0 "[ . 1 . 2]" 1 1675 2 86 ALA MB 2 97 TYR HD2 . . 3.150 2.753 2.659 2.857 . 0 0 "[ . 1 . 2]" 1 1676 2 94 THR HB 2 97 TYR HD2 . . 4.450 3.545 3.325 3.701 . 0 0 "[ . 1 . 2]" 1 1677 2 110 LYS H 2 112 TYR HD2 . . 5.250 5.340 5.312 5.371 0.121 5 0 "[ . 1 . 2]" 1 1678 2 67 LYS HA 2 112 TYR HD2 . . 5.500 5.018 4.570 5.222 . 0 0 "[ . 1 . 2]" 1 1679 2 112 TYR HD2 2 113 LEU H . . 3.240 3.114 3.090 3.149 . 0 0 "[ . 1 . 2]" 1 1680 2 112 TYR QB 2 112 TYR HD2 . . 2.530 2.399 2.372 2.437 . 0 0 "[ . 1 . 2]" 1 1681 2 112 TYR HD2 2 113 LEU QB . . 3.640 2.586 2.512 2.652 . 0 0 "[ . 1 . 2]" 1 1682 2 112 TYR HD2 2 113 LEU QD . . 2.990 2.738 2.673 2.791 . 0 0 "[ . 1 . 2]" 1 1683 2 109 VAL HA 2 112 TYR HD2 . . 2.920 2.939 2.868 3.026 0.106 5 0 "[ . 1 . 2]" 1 1684 2 109 VAL HB 2 112 TYR HD2 . . 4.850 4.924 4.819 5.025 0.175 11 0 "[ . 1 . 2]" 1 1685 2 64 TYR HD2 2 65 LEU HA . . 3.390 3.374 3.205 3.441 0.051 8 0 "[ . 1 . 2]" 1 1686 2 64 TYR HD2 2 65 LEU MD2 . . 3.870 2.159 2.081 2.235 . 0 0 "[ . 1 . 2]" 1 1687 2 64 TYR HD2 2 65 LEU H . . 3.830 3.460 3.205 3.624 . 0 0 "[ . 1 . 2]" 1 1688 2 64 TYR QB 2 64 TYR HD2 . . 3.180 2.394 2.373 2.418 . 0 0 "[ . 1 . 2]" 1 1689 2 28 ILE MD 2 64 TYR HD2 . . 3.620 3.037 2.806 3.244 . 0 0 "[ . 1 . 2]" 1 1690 2 61 VAL MG1 2 64 TYR HD2 . . 5.250 4.218 3.949 4.368 . 0 0 "[ . 1 . 2]" 1 1691 2 9 ARG H 2 98 PHE HE1 . . 4.390 4.390 4.290 4.448 0.058 2 0 "[ . 1 . 2]" 1 1692 2 9 ARG HB3 2 98 PHE HE1 . . 3.640 3.706 3.572 3.770 0.130 14 0 "[ . 1 . 2]" 1 1693 2 98 PHE HE1 2 102 LEU HG . . 4.080 4.147 4.107 4.187 0.107 16 0 "[ . 1 . 2]" 1 1694 2 98 PHE HE1 2 99 VAL QG . . 3.490 3.257 3.167 3.323 . 0 0 "[ . 1 . 2]" 1 1695 2 98 PHE HE1 2 102 LEU QD . . 4.420 4.416 4.377 4.440 0.020 9 0 "[ . 1 . 2]" 1 1696 2 5 PHE HB2 2 98 PHE HE1 . . 2.690 2.757 2.719 2.806 0.116 6 0 "[ . 1 . 2]" 1 1697 2 47 TYR HD2 2 52 ILE MG . . 4.160 3.812 3.711 4.188 0.028 12 0 "[ . 1 . 2]" 1 1698 2 47 TYR HA 2 47 TYR HD2 . . 4.220 4.111 3.862 4.192 . 0 0 "[ . 1 . 2]" 1 1699 2 98 PHE H 2 98 PHE HD2 . . 5.190 4.999 4.974 5.022 . 0 0 "[ . 1 . 2]" 1 1700 2 77 LEU H 2 98 PHE HD2 . . 5.500 5.060 4.822 5.176 . 0 0 "[ . 1 . 2]" 1 1701 2 97 TYR QE 2 98 PHE HD2 . . 5.500 5.327 5.082 5.482 . 0 0 "[ . 1 . 2]" 1 1702 2 97 TYR HD2 2 98 PHE HD2 . . 5.500 5.205 5.064 5.394 . 0 0 "[ . 1 . 2]" 1 1703 2 98 PHE HA 2 98 PHE HD2 . . 3.530 3.387 3.333 3.432 . 0 0 "[ . 1 . 2]" 1 1704 2 98 PHE HB3 2 98 PHE HD2 . . 3.660 3.594 3.580 3.610 . 0 0 "[ . 1 . 2]" 1 1705 2 77 LEU QD 2 98 PHE HD2 . . 3.820 3.145 2.733 3.331 . 0 0 "[ . 1 . 2]" 1 1706 2 98 PHE HD2 2 102 LEU QD . . 3.690 2.708 2.614 2.783 . 0 0 "[ . 1 . 2]" 1 1707 2 77 LEU HA 2 98 PHE HD2 . . 5.200 4.710 4.418 5.037 . 0 0 "[ . 1 . 2]" 1 1708 2 76 ILE HB 2 98 PHE HD2 . . 4.610 4.556 4.370 4.651 0.041 8 0 "[ . 1 . 2]" 1 1709 2 73 PRO QB 2 98 PHE HD2 . . 4.650 3.888 3.603 4.119 . 0 0 "[ . 1 . 2]" 1 1710 2 73 PRO HA 2 98 PHE HE2 . . 4.030 2.174 2.023 2.335 . 0 0 "[ . 1 . 2]" 1 1711 2 5 PHE HA 2 98 PHE HD1 . . 4.210 4.196 4.054 4.275 0.065 20 0 "[ . 1 . 2]" 1 1712 2 73 PRO QD 2 98 PHE HE2 . . 5.500 4.190 3.914 4.403 . 0 0 "[ . 1 . 2]" 1 1713 2 5 PHE HB2 2 98 PHE HD1 . . 3.280 2.845 2.762 2.922 . 0 0 "[ . 1 . 2]" 1 1714 2 76 ILE HB 2 98 PHE HE2 . . 4.150 3.594 3.404 3.708 . 0 0 "[ . 1 . 2]" 1 1715 2 77 LEU QB 2 98 PHE HE2 . . 4.460 4.261 3.861 4.446 . 0 0 "[ . 1 . 2]" 1 1716 2 76 ILE HG13 2 98 PHE HE2 . . 4.950 4.678 4.509 4.926 . 0 0 "[ . 1 . 2]" 1 1717 2 98 PHE HD1 2 102 LEU QB . . 5.410 3.998 3.922 4.069 . 0 0 "[ . 1 . 2]" 1 1718 2 98 PHE HE2 2 102 LEU QB . . 5.500 4.174 4.109 4.270 . 0 0 "[ . 1 . 2]" 1 1719 2 9 ARG HB3 2 98 PHE HE2 . . 5.500 5.144 5.019 5.233 . 0 0 "[ . 1 . 2]" 1 1720 2 98 PHE HE2 2 102 LEU HG . . 3.360 2.537 2.465 2.616 . 0 0 "[ . 1 . 2]" 1 1721 2 98 PHE HD1 2 99 VAL QG . . 3.040 2.209 2.166 2.278 . 0 0 "[ . 1 . 2]" 1 1722 2 98 PHE HE2 2 102 LEU QD . . 3.040 2.982 2.913 3.059 0.019 18 0 "[ . 1 . 2]" 1 1723 2 12 LEU QD 2 98 PHE HE2 . . 4.560 3.664 3.474 3.802 . 0 0 "[ . 1 . 2]" 1 1724 2 73 PRO HA 2 98 PHE HZ . . 4.420 3.927 3.662 4.156 . 0 0 "[ . 1 . 2]" 1 1725 2 73 PRO QB 2 98 PHE HZ . . 4.330 2.650 2.271 3.172 . 0 0 "[ . 1 . 2]" 1 1726 2 98 PHE HZ 2 102 LEU HG . . 4.320 2.938 2.866 2.998 . 0 0 "[ . 1 . 2]" 1 1727 2 5 PHE HB2 2 98 PHE HZ . . 4.900 4.993 4.947 5.031 0.131 13 0 "[ . 1 . 2]" 1 1728 2 9 ARG H 2 98 PHE HZ . . 4.900 4.628 4.441 4.724 . 0 0 "[ . 1 . 2]" 1 1729 2 8 LEU HB3 2 98 PHE HZ . . 5.310 4.552 4.289 4.714 . 0 0 "[ . 1 . 2]" 1 1730 2 73 PRO HG2 2 98 PHE HZ . . 5.500 4.669 3.613 5.235 . 0 0 "[ . 1 . 2]" 1 1731 2 98 PHE HZ 2 102 LEU QD . . 3.640 3.714 3.676 3.741 0.101 7 0 "[ . 1 . 2]" 1 1732 2 73 PRO QD 2 98 PHE HZ . . 4.540 3.888 3.572 4.229 . 0 0 "[ . 1 . 2]" 1 1733 2 106 TRP HD1 2 107 SER H . . 4.490 4.406 4.299 4.474 . 0 0 "[ . 1 . 2]" 1 1734 2 11 GLU HG2 2 106 TRP HD1 . . 5.500 4.290 4.048 4.610 . 0 0 "[ . 1 . 2]" 1 1735 2 106 TRP HD1 2 110 LYS QD . . 3.500 3.344 3.191 3.557 0.057 15 0 "[ . 1 . 2]" 1 1736 2 8 LEU QD 2 106 TRP HD1 . . 2.620 2.091 2.041 2.140 . 0 0 "[ . 1 . 2]" 1 1737 2 12 LEU HG 2 106 TRP HD1 . . 4.940 4.716 4.579 4.881 . 0 0 "[ . 1 . 2]" 1 1738 2 12 LEU QD 2 106 TRP HD1 . . 5.500 3.409 3.363 3.496 . 0 0 "[ . 1 . 2]" 1 1739 2 59 TRP HD1 2 63 LEU MD1 . . 3.930 3.200 3.098 3.303 . 0 0 "[ . 1 . 2]" 1 1740 2 59 TRP HD1 2 60 HIS H . . 4.580 3.373 3.171 3.472 . 0 0 "[ . 1 . 2]" 1 1741 2 59 TRP HD1 2 60 HIS HD2 . . 4.320 4.235 3.957 4.372 0.052 18 0 "[ . 1 . 2]" 1 1742 2 59 TRP HD1 2 60 HIS HA . . 4.320 3.493 3.240 3.612 . 0 0 "[ . 1 . 2]" 1 1743 2 92 TRP HH2 2 97 TYR HA . . 4.150 3.928 3.815 4.020 . 0 0 "[ . 1 . 2]" 1 1744 2 92 TRP HH2 2 100 ILE HB . . 4.690 4.675 4.533 4.751 0.061 13 0 "[ . 1 . 2]" 1 1745 2 92 TRP HH2 2 100 ILE HG13 . . 5.270 4.921 4.804 5.061 . 0 0 "[ . 1 . 2]" 1 1746 2 92 TRP HH2 2 100 ILE HG12 . . 5.310 5.121 4.943 5.254 . 0 0 "[ . 1 . 2]" 1 1747 2 92 TRP HH2 2 100 ILE MG . . 4.220 4.274 4.097 4.324 0.104 6 0 "[ . 1 . 2]" 1 1748 2 92 TRP HH2 2 100 ILE MD . . 3.260 2.320 2.242 2.416 . 0 0 "[ . 1 . 2]" 1 1749 2 15 ARG HD3 2 106 TRP HH2 . . 3.630 2.771 2.441 3.757 0.127 7 0 "[ . 1 . 2]" 1 1750 2 66 MET HB3 2 106 TRP HH2 . . 5.250 5.085 4.903 5.225 . 0 0 "[ . 1 . 2]" 1 1751 2 15 ARG QG 2 106 TRP HH2 . . 3.670 2.498 2.254 3.734 0.064 11 0 "[ . 1 . 2]" 1 1752 2 106 TRP HH2 2 110 LYS QD . . 5.460 5.150 4.699 5.389 . 0 0 "[ . 1 . 2]" 1 1753 2 59 TRP HH2 2 63 LEU MD1 . . 4.380 4.308 4.154 4.399 0.019 17 0 "[ . 1 . 2]" 1 1754 2 15 ARG HD2 2 106 TRP HH2 . . 3.630 3.031 1.863 3.448 . 0 0 "[ . 1 . 2]" 1 1755 2 15 ARG QB 2 106 TRP HH2 . . 3.820 3.000 2.879 3.095 . 0 0 "[ . 1 . 2]" 1 1756 2 12 LEU QD 2 106 TRP HH2 . . 4.160 4.194 4.164 4.227 0.067 7 0 "[ . 1 . 2]" 1 1757 2 59 TRP HH2 2 106 TRP H . . 5.330 5.341 5.279 5.370 0.040 16 0 "[ . 1 . 2]" 1 1758 2 59 TRP HH2 2 104 LYS QE . . 5.110 3.796 3.440 5.212 0.102 4 0 "[ . 1 . 2]" 1 1759 2 59 TRP HH2 2 105 ALA H . . 3.670 3.623 3.532 3.707 0.037 18 0 "[ . 1 . 2]" 1 1760 2 59 TRP HH2 2 104 LYS HA . . 3.920 3.937 3.875 3.982 0.062 9 0 "[ . 1 . 2]" 1 1761 2 59 TRP HH2 2 105 ALA HA . . 3.220 2.615 2.580 2.649 . 0 0 "[ . 1 . 2]" 1 1762 2 59 TRP HH2 2 108 VAL HB . . 4.400 3.717 3.506 3.899 . 0 0 "[ . 1 . 2]" 1 1763 2 59 TRP HH2 2 104 LYS QB . . 3.100 2.278 2.111 2.358 . 0 0 "[ . 1 . 2]" 1 1764 2 59 TRP HH2 2 105 ALA MB . . 3.680 3.685 3.654 3.715 0.035 19 0 "[ . 1 . 2]" 1 1765 2 106 TRP HE3 2 110 LYS QD . . 5.040 4.862 4.765 5.060 0.020 11 0 "[ . 1 . 2]" 1 1766 2 106 TRP H 2 106 TRP HE3 . . 4.860 4.892 4.871 4.932 0.072 11 0 "[ . 1 . 2]" 1 1767 2 106 TRP HE3 2 109 VAL H . . 4.800 4.635 4.460 4.837 0.037 8 0 "[ . 1 . 2]" 1 1768 2 106 TRP HA 2 106 TRP HE3 . . 2.710 2.212 2.172 2.268 . 0 0 "[ . 1 . 2]" 1 1769 2 66 MET HA 2 106 TRP HE3 . . 4.720 4.572 4.395 4.790 0.070 11 0 "[ . 1 . 2]" 1 1770 2 106 TRP HB2 2 106 TRP HE3 . . 3.290 3.135 3.087 3.161 . 0 0 "[ . 1 . 2]" 1 1771 2 66 MET HB3 2 106 TRP HE3 . . 3.980 2.719 2.494 2.849 . 0 0 "[ . 1 . 2]" 1 1772 2 12 LEU QD 2 106 TRP HE3 . . 3.520 3.179 3.084 3.245 . 0 0 "[ . 1 . 2]" 1 1773 2 106 TRP HE3 2 110 LYS H . . 4.270 4.272 4.193 4.338 0.068 4 0 "[ . 1 . 2]" 1 1774 2 68 HIS H 2 68 HIS HD2 . . 3.580 2.798 2.601 3.066 . 0 0 "[ . 1 . 2]" 1 1775 2 67 LYS H 2 68 HIS HD2 . . 4.740 4.384 4.050 4.712 . 0 0 "[ . 1 . 2]" 1 1776 2 68 HIS HA 2 68 HIS HD2 . . 3.470 2.689 2.447 3.058 . 0 0 "[ . 1 . 2]" 1 1777 2 64 TYR HA 2 68 HIS HD2 . . 4.990 4.739 4.255 4.985 . 0 0 "[ . 1 . 2]" 1 1778 2 65 LEU HA 2 68 HIS HD2 . . 5.280 4.606 4.306 4.889 . 0 0 "[ . 1 . 2]" 1 1779 2 68 HIS HB2 2 68 HIS HD2 . . 3.250 3.283 3.144 3.355 0.105 11 0 "[ . 1 . 2]" 1 1780 2 92 TRP HE3 2 97 TYR HA . . 4.010 4.036 3.942 4.106 0.096 5 0 "[ . 1 . 2]" 1 1781 2 92 TRP HE3 2 94 THR HA . . 4.100 4.038 3.764 4.211 0.111 3 0 "[ . 1 . 2]" 1 1782 2 66 MET HA 2 106 TRP HZ3 . . 5.500 3.901 3.772 4.143 . 0 0 "[ . 1 . 2]" 1 1783 2 59 TRP HZ3 2 104 LYS QE . . 5.500 4.679 3.326 5.535 0.035 17 0 "[ . 1 . 2]" 1 1784 2 59 TRP HZ3 2 108 VAL QG . . 4.350 4.406 4.376 4.451 0.101 10 0 "[ . 1 . 2]" 1 1785 2 59 TRP HZ3 2 62 ILE MG . . 5.500 5.090 4.986 5.193 . 0 0 "[ . 1 . 2]" 1 1786 2 59 TRP HZ3 2 63 LEU HG . . 5.500 5.418 5.256 5.507 0.007 3 0 "[ . 1 . 2]" 1 1787 2 92 TRP HE3 2 97 TYR H . . 4.110 3.724 3.590 3.809 . 0 0 "[ . 1 . 2]" 1 1788 2 92 TRP HE3 2 96 LYS QG . . 4.340 3.301 2.919 3.537 . 0 0 "[ . 1 . 2]" 1 1789 2 92 TRP HZ3 2 100 ILE HB . . 4.710 4.333 4.173 4.467 . 0 0 "[ . 1 . 2]" 1 1790 2 92 TRP HZ3 2 97 TYR H . . 4.600 3.151 2.963 3.263 . 0 0 "[ . 1 . 2]" 1 1791 2 92 TRP HZ3 2 94 THR HA . . 5.110 5.077 4.905 5.171 0.061 3 0 "[ . 1 . 2]" 1 1792 2 92 TRP HZ3 2 97 TYR HA . . 3.740 2.147 2.061 2.219 . 0 0 "[ . 1 . 2]" 1 1793 2 66 MET HB3 2 106 TRP HZ3 . . 3.480 2.627 2.448 2.759 . 0 0 "[ . 1 . 2]" 1 1794 2 12 LEU QD 2 106 TRP HZ3 . . 4.050 3.960 3.870 4.028 . 0 0 "[ . 1 . 2]" 1 1795 2 106 TRP HA 2 106 TRP HZ3 . . 4.500 4.547 4.522 4.582 0.082 20 0 "[ . 1 . 2]" 1 1796 2 106 TRP HZ3 2 110 LYS HA . . 4.500 4.602 4.573 4.653 0.153 15 0 "[ . 1 . 2]" 1 1797 2 106 TRP HZ3 2 113 LEU QD . . 3.830 3.418 3.337 3.555 . 0 0 "[ . 1 . 2]" 1 1798 2 59 TRP HZ3 2 106 TRP H . . 4.860 5.001 4.978 5.033 0.173 8 0 "[ . 1 . 2]" 1 1799 2 59 TRP HZ3 2 105 ALA HA . . 3.740 3.049 2.999 3.081 . 0 0 "[ . 1 . 2]" 1 1800 2 59 TRP HZ3 2 104 LYS QB . . 3.100 2.210 2.100 2.403 . 0 0 "[ . 1 . 2]" 1 1801 2 59 TRP HZ3 2 105 ALA MB . . 3.300 2.423 2.345 2.487 . 0 0 "[ . 1 . 2]" 1 1802 2 59 TRP HZ3 2 63 LEU MD1 . . 5.190 5.030 4.889 5.109 . 0 0 "[ . 1 . 2]" 1 1803 2 92 TRP HZ3 2 96 LYS QG . . 3.950 2.416 2.311 2.573 . 0 0 "[ . 1 . 2]" 1 1804 2 106 TRP HZ3 2 110 LYS QD . . 5.500 5.531 5.276 5.639 0.139 14 0 "[ . 1 . 2]" 1 1805 2 97 TYR QE 2 101 THR HB . . 4.700 4.143 4.032 4.277 . 0 0 "[ . 1 . 2]" 1 1806 2 60 HIS HD2 2 61 VAL H . . 5.220 5.149 5.078 5.221 0.001 15 0 "[ . 1 . 2]" 1 1807 2 57 GLY H 2 60 HIS HD2 . . 4.900 4.568 4.405 4.684 . 0 0 "[ . 1 . 2]" 1 1808 2 52 ILE MD 2 60 HIS HD2 . . 3.820 2.399 2.240 2.661 . 0 0 "[ . 1 . 2]" 1 1809 2 60 HIS H 2 60 HIS HD2 . . 3.720 3.266 3.181 3.390 . 0 0 "[ . 1 . 2]" 1 1810 2 56 ARG H 2 60 HIS HD2 . . 5.500 5.522 5.146 5.625 0.125 5 0 "[ . 1 . 2]" 1 1811 2 60 HIS HA 2 60 HIS HD2 . . 4.750 4.544 4.502 4.599 . 0 0 "[ . 1 . 2]" 1 1812 2 57 GLY HA2 2 60 HIS HD2 . . 4.690 3.434 3.295 3.717 . 0 0 "[ . 1 . 2]" 1 1813 2 60 HIS HB2 2 60 HIS HD2 . . 3.900 2.613 2.596 2.635 . 0 0 "[ . 1 . 2]" 1 1814 2 60 HIS HB3 2 60 HIS HD2 . . 3.900 3.641 3.587 3.672 . 0 0 "[ . 1 . 2]" 1 1815 2 56 ARG HB2 2 60 HIS HD2 . . 4.150 3.979 3.807 4.159 0.009 19 0 "[ . 1 . 2]" 1 1816 2 56 ARG HB3 2 60 HIS HD2 . . 3.940 2.649 2.087 2.800 . 0 0 "[ . 1 . 2]" 1 1817 2 52 ILE HB 2 60 HIS HD2 . . 5.500 5.485 5.341 5.679 0.179 4 0 "[ . 1 . 2]" 1 1818 2 86 ALA H 2 97 TYR QE . . 4.530 4.421 4.323 4.512 . 0 0 "[ . 1 . 2]" 1 1819 2 86 ALA HA 2 97 TYR QE . . 3.840 3.954 3.861 3.996 0.156 14 0 "[ . 1 . 2]" 1 1820 2 97 TYR QB 2 97 TYR QE . . 4.430 3.959 3.955 3.965 . 0 0 "[ . 1 . 2]" 1 1821 2 86 ALA MB 2 97 TYR QE . . 3.280 2.073 2.022 2.137 . 0 0 "[ . 1 . 2]" 1 1822 2 112 TYR HE2 2 113 LEU H . . 5.020 5.090 5.067 5.110 0.090 15 0 "[ . 1 . 2]" 1 1823 2 67 LYS HA 2 112 TYR HE2 . . 4.350 3.998 3.639 4.275 . 0 0 "[ . 1 . 2]" 1 1824 2 67 LYS HE2 2 112 TYR HE2 . . 5.500 2.914 2.513 3.280 . 0 0 "[ . 1 . 2]" 1 1825 2 112 TYR HE2 2 113 LEU QB . . 3.940 2.858 2.807 2.893 . 0 0 "[ . 1 . 2]" 1 1826 2 112 TYR HE2 2 113 LEU QD . . 3.200 3.221 3.196 3.242 0.042 4 0 "[ . 1 . 2]" 1 1827 2 112 TYR HE2 2 113 LEU HA . . 4.590 4.599 4.517 4.631 0.041 13 0 "[ . 1 . 2]" 1 1828 2 59 TRP HE3 2 105 ALA H . . 4.810 4.542 4.452 4.678 . 0 0 "[ . 1 . 2]" 1 1829 2 59 TRP HE3 2 62 ILE MG . . 5.360 4.671 4.586 4.786 . 0 0 "[ . 1 . 2]" 1 1830 2 59 TRP H 2 59 TRP HE3 . . 4.940 4.986 4.952 5.052 0.112 16 0 "[ . 1 . 2]" 1 1831 2 59 TRP HA 2 59 TRP HE3 . . 3.060 2.943 2.897 3.041 . 0 0 "[ . 1 . 2]" 1 1832 2 59 TRP HE3 2 104 LYS QB . . 4.260 4.263 4.161 4.374 0.114 11 0 "[ . 1 . 2]" 1 1833 2 59 TRP HE3 2 105 ALA MB . . 3.480 2.928 2.879 2.981 . 0 0 "[ . 1 . 2]" 1 1834 2 59 TRP HE3 2 62 ILE MD . . 4.060 4.083 3.997 4.131 0.071 11 0 "[ . 1 . 2]" 1 1835 2 59 TRP HE3 2 63 LEU MD1 . . 4.910 4.707 4.599 4.796 . 0 0 "[ . 1 . 2]" 1 1836 2 64 TYR QB 2 64 TYR HE2 . . 4.560 4.428 4.415 4.442 . 0 0 "[ . 1 . 2]" 1 1837 2 64 TYR HE2 2 65 LEU MD2 . . 3.620 3.131 2.843 3.348 . 0 0 "[ . 1 . 2]" 1 1838 2 24 ILE MG 2 64 TYR HE2 . . 5.500 4.931 4.489 5.119 . 0 0 "[ . 1 . 2]" 1 1839 2 28 ILE MD 2 64 TYR HE2 . . 2.820 2.091 1.999 2.143 . 0 0 "[ . 1 . 2]" 1 1840 2 37 ILE MD 2 64 TYR HE2 . . 4.370 4.299 4.018 4.409 0.039 18 0 "[ . 1 . 2]" 1 1841 2 92 TRP HZ2 2 96 LYS QD . . 5.100 4.583 3.318 5.118 0.018 8 0 "[ . 1 . 2]" 1 1842 2 92 TRP HZ2 2 100 ILE MD . . 4.390 4.183 4.092 4.313 . 0 0 "[ . 1 . 2]" 1 1843 2 59 TRP HZ2 2 105 ALA HA . . 3.860 3.849 3.769 3.912 0.052 18 0 "[ . 1 . 2]" 1 1844 2 59 TRP HZ2 2 104 LYS QB . . 4.350 4.370 4.246 4.411 0.061 13 0 "[ . 1 . 2]" 1 1845 2 59 TRP HZ2 2 108 VAL QG . . 3.410 2.367 2.251 2.513 . 0 0 "[ . 1 . 2]" 1 1846 2 59 TRP HZ2 2 63 LEU MD1 . . 3.420 2.908 2.731 3.007 . 0 0 "[ . 1 . 2]" 1 1847 2 12 LEU HA 2 106 TRP HZ2 . . 4.410 4.485 4.441 4.535 0.125 16 0 "[ . 1 . 2]" 1 1848 2 15 ARG HD2 2 106 TRP HZ2 . . 4.070 3.422 2.468 3.579 . 0 0 "[ . 1 . 2]" 1 1849 2 11 GLU HG2 2 106 TRP HZ2 . . 3.770 3.185 3.059 3.303 . 0 0 "[ . 1 . 2]" 1 1850 2 15 ARG QG 2 106 TRP HZ2 . . 3.340 2.431 2.192 3.422 0.082 20 0 "[ . 1 . 2]" 1 1851 2 15 ARG QB 2 106 TRP HZ2 . . 4.140 3.992 3.882 4.058 . 0 0 "[ . 1 . 2]" 1 1852 2 71 THR MG 2 106 TRP HZ2 . . 5.500 4.770 4.690 4.849 . 0 0 "[ . 1 . 2]" 1 1853 2 106 TRP HZ2 2 113 LEU QD . . 5.500 4.880 4.672 5.013 . 0 0 "[ . 1 . 2]" 1 1854 2 12 LEU QD 2 106 TRP HZ2 . . 3.840 3.742 3.692 3.824 . 0 0 "[ . 1 . 2]" 1 1855 2 11 GLU HA 2 106 TRP HZ2 . . 5.500 5.046 4.956 5.254 . 0 0 "[ . 1 . 2]" 1 1856 2 60 HIS H 2 60 HIS HE1 . . 5.500 5.601 5.537 5.660 0.160 18 0 "[ . 1 . 2]" 1 1857 2 56 ARG HB3 2 60 HIS HE1 . . 5.500 5.073 4.768 5.572 0.072 4 0 "[ . 1 . 2]" 1 1858 2 60 HIS HE1 2 63 LEU MD1 . . 4.690 4.510 4.263 4.692 0.002 18 0 "[ . 1 . 2]" 1 1859 2 59 TRP HE1 2 60 HIS HE1 . . 4.960 4.178 3.720 4.647 . 0 0 "[ . 1 . 2]" 1 1860 2 59 TRP HD1 2 60 HIS HE1 . . 4.280 3.627 3.373 3.952 . 0 0 "[ . 1 . 2]" 1 1861 2 3 VAL H 2 3 VAL QG . . 2.680 2.217 2.047 2.462 . 0 0 "[ . 1 . 2]" 1 1862 2 3 VAL HA 2 3 VAL QG . . 2.790 2.189 2.113 2.241 . 0 0 "[ . 1 . 2]" 1 1863 2 3 VAL QG 2 4 GLU H . . 3.720 2.722 2.354 3.381 . 0 0 "[ . 1 . 2]" 1 1864 2 3 VAL QG 2 4 GLU HA . . 3.740 3.296 3.173 3.504 . 0 0 "[ . 1 . 2]" 1 1865 2 3 VAL QG 2 4 GLU QG . . 4.230 2.863 2.268 3.655 . 0 0 "[ . 1 . 2]" 1 1866 2 3 VAL QG 2 5 PHE H . . 5.210 4.357 4.157 4.677 . 0 0 "[ . 1 . 2]" 1 1867 2 7 GLU H 2 7 GLU QG . . 3.220 2.301 2.253 2.356 . 0 0 "[ . 1 . 2]" 1 1868 2 9 ARG H 2 9 ARG QD . . 4.630 3.985 3.881 4.022 . 0 0 "[ . 1 . 2]" 1 1869 2 9 ARG HA 2 9 ARG QD . . 4.190 3.674 3.648 3.803 . 0 0 "[ . 1 . 2]" 1 1870 2 9 ARG HB2 2 9 ARG QD . . 3.620 2.281 2.235 2.560 . 0 0 "[ . 1 . 2]" 1 1871 2 9 ARG QD 2 10 LYS H . . 4.290 3.046 2.898 3.103 . 0 0 "[ . 1 . 2]" 1 1872 2 9 ARG QD 2 10 LYS HA . . 5.280 2.696 2.607 2.770 . 0 0 "[ . 1 . 2]" 1 1873 2 9 ARG QD 2 11 GLU H . . 5.340 4.860 4.778 4.911 . 0 0 "[ . 1 . 2]" 1 1874 2 11 GLU HG3 2 15 ARG QD . . 4.970 4.289 3.725 4.685 . 0 0 "[ . 1 . 2]" 1 1875 2 12 LEU QD 2 15 ARG QD . . 5.340 5.157 4.738 5.320 . 0 0 "[ . 1 . 2]" 1 1876 2 13 VAL HA 2 72 ASP QB . . 4.560 3.758 3.242 4.438 . 0 0 "[ . 1 . 2]" 1 1877 2 13 VAL MG2 2 72 ASP QB . . 4.410 3.616 2.790 4.239 . 0 0 "[ . 1 . 2]" 1 1878 2 14 LYS QD 2 15 ARG H . . 4.510 3.598 3.379 3.817 . 0 0 "[ . 1 . 2]" 1 1879 2 14 LYS QD 2 15 ARG HA . . 3.930 3.330 3.116 3.544 . 0 0 "[ . 1 . 2]" 1 1880 2 15 ARG H 2 15 ARG QD . . 5.150 4.452 4.008 4.548 . 0 0 "[ . 1 . 2]" 1 1881 2 15 ARG QD 2 106 TRP HZ3 . . 4.830 4.411 4.164 4.670 . 0 0 "[ . 1 . 2]" 1 1882 2 15 ARG QD 2 106 TRP HZ2 . . 3.280 3.231 2.450 3.333 0.053 8 0 "[ . 1 . 2]" 1 1883 2 15 ARG QD 2 106 TRP HH2 . . 3.160 2.382 1.854 2.659 . 0 0 "[ . 1 . 2]" 1 1884 2 16 ASP QB 2 72 ASP QB . . 3.560 2.895 2.656 3.287 . 0 0 "[ . 1 . 2]" 1 1885 2 18 GLY H 2 70 VAL QG . . 5.440 4.492 3.353 4.895 . 0 0 "[ . 1 . 2]" 1 1886 2 18 GLY QA 2 19 LYS QG . . 5.180 4.130 4.031 4.406 . 0 0 "[ . 1 . 2]" 1 1887 2 21 VAL H 2 75 LYS QB . . 5.340 4.749 3.967 5.373 0.033 1 0 "[ . 1 . 2]" 1 1888 2 21 VAL H 2 75 LYS QE . . 4.660 3.513 2.470 4.768 0.108 13 0 "[ . 1 . 2]" 1 1889 2 24 ILE MD 2 75 LYS QE . . 5.340 2.898 1.851 4.922 . 0 0 "[ . 1 . 2]" 1 1890 2 26 GLU QG 2 27 GLU H . . 4.240 3.566 3.534 3.596 . 0 0 "[ . 1 . 2]" 1 1891 2 26 GLU QG 2 30 THR H . . 5.210 4.850 4.560 5.271 0.061 5 0 "[ . 1 . 2]" 1 1892 2 26 GLU QG 2 30 THR MG . . 4.030 3.878 3.674 4.071 0.041 12 0 "[ . 1 . 2]" 1 1893 2 27 GLU HA 2 31 LYS QG . . 5.340 4.207 3.981 4.388 . 0 0 "[ . 1 . 2]" 1 1894 2 27 GLU HG3 2 28 ILE QG . . 5.020 2.357 2.172 2.725 . 0 0 "[ . 1 . 2]" 1 1895 2 28 ILE H 2 28 ILE QG . . 3.870 2.578 2.462 2.670 . 0 0 "[ . 1 . 2]" 1 1896 2 28 ILE HA 2 28 ILE QG . . 3.120 2.295 2.250 2.329 . 0 0 "[ . 1 . 2]" 1 1897 2 28 ILE HA 2 31 LYS QG . . 4.460 3.676 2.703 4.051 . 0 0 "[ . 1 . 2]" 1 1898 2 28 ILE QG 2 29 CYS H . . 4.950 4.281 4.221 4.338 . 0 0 "[ . 1 . 2]" 1 1899 2 28 ILE QG 2 64 TYR HE2 . . 4.340 2.285 2.149 2.517 . 0 0 "[ . 1 . 2]" 1 1900 2 30 THR H 2 31 LYS QG . . 5.340 3.916 3.328 4.056 . 0 0 "[ . 1 . 2]" 1 1901 2 30 THR MG 2 31 LYS QG . . 2.820 2.407 2.207 2.834 0.014 15 0 "[ . 1 . 2]" 1 1902 2 31 LYS H 2 31 LYS QG . . 3.320 2.555 2.263 2.872 . 0 0 "[ . 1 . 2]" 1 1903 2 31 LYS HA 2 31 LYS QG . . 3.350 2.359 2.239 2.922 . 0 0 "[ . 1 . 2]" 1 1904 2 31 LYS QD 2 31 LYS QG . . 2.390 2.113 2.017 2.123 . 0 0 "[ . 1 . 2]" 1 1905 2 31 LYS QE 2 31 LYS QG . . 3.400 2.187 2.095 2.371 . 0 0 "[ . 1 . 2]" 1 1906 2 37 ILE MD 2 60 HIS QB . . 5.040 3.559 3.286 3.923 . 0 0 "[ . 1 . 2]" 1 1907 2 39 GLU QB 2 42 CYS QB . . 5.290 4.776 4.070 5.370 0.080 19 0 "[ . 1 . 2]" 1 1908 2 40 ILE HA 2 40 ILE QG . . 3.700 2.867 2.780 2.928 . 0 0 "[ . 1 . 2]" 1 1909 2 40 ILE QG 2 41 ILE H . . 4.180 4.231 4.193 4.259 0.079 18 0 "[ . 1 . 2]" 1 1910 2 40 ILE MD 2 47 TYR QB . . 4.890 4.269 4.135 4.375 . 0 0 "[ . 1 . 2]" 1 1911 2 41 ILE H 2 42 CYS QB . . 5.030 4.400 4.147 4.684 . 0 0 "[ . 1 . 2]" 1 1912 2 41 ILE HB 2 42 CYS QB . . 4.920 4.350 3.538 4.867 . 0 0 "[ . 1 . 2]" 1 1913 2 41 ILE MG 2 42 CYS QB . . 5.150 4.235 3.273 4.831 . 0 0 "[ . 1 . 2]" 1 1914 2 42 CYS H 2 42 CYS QB . . 3.310 2.401 2.259 2.552 . 0 0 "[ . 1 . 2]" 1 1915 2 43 GLU HA 2 43 GLU QG . . 3.000 2.935 2.301 3.047 0.047 10 0 "[ . 1 . 2]" 1 1916 2 43 GLU HB3 2 45 LYS QE . . 5.080 5.077 4.649 5.222 0.142 18 0 "[ . 1 . 2]" 1 1917 2 43 GLU QG 2 44 ASN H . . 4.280 2.041 1.849 2.101 . 0 0 "[ . 1 . 2]" 1 1918 2 43 GLU QG 2 45 LYS H . . 4.270 2.083 1.950 2.252 . 0 0 "[ . 1 . 2]" 1 1919 2 43 GLU QG 2 45 LYS HG2 . . 4.040 2.144 2.072 2.290 . 0 0 "[ . 1 . 2]" 1 1920 2 43 GLU QG 2 45 LYS QE . . 4.190 3.276 2.911 3.560 . 0 0 "[ . 1 . 2]" 1 1921 2 44 ASN H 2 44 ASN QB . . 3.570 2.345 2.326 2.399 . 0 0 "[ . 1 . 2]" 1 1922 2 44 ASN HA 2 44 ASN QD . . 3.650 3.636 3.203 3.762 0.112 16 0 "[ . 1 . 2]" 1 1923 2 44 ASN QB 2 44 ASN QD . . 2.840 2.166 2.126 2.221 . 0 0 "[ . 1 . 2]" 1 1924 2 44 ASN QB 2 45 LYS H . . 4.280 3.418 3.319 3.566 . 0 0 "[ . 1 . 2]" 1 1925 2 45 LYS H 2 45 LYS QE . . 4.990 3.048 2.909 4.150 . 0 0 "[ . 1 . 2]" 1 1926 2 45 LYS HA 2 45 LYS QE . . 4.120 1.860 1.723 3.426 . 0 0 "[ . 1 . 2]" 1 1927 2 45 LYS HB2 2 45 LYS QE . . 4.820 3.812 3.746 4.447 . 0 0 "[ . 1 . 2]" 1 1928 2 45 LYS QE 2 46 THR H . . 4.660 4.099 3.938 4.935 0.275 18 0 "[ . 1 . 2]" 1 1929 2 46 THR MG 2 83 ASP QB . . 4.690 3.064 2.805 4.017 . 0 0 "[ . 1 . 2]" 1 1930 2 47 TYR H 2 47 TYR QB . . 3.620 3.216 3.086 3.256 . 0 0 "[ . 1 . 2]" 1 1931 2 47 TYR QB 2 48 ALA H . . 3.850 3.706 3.557 3.784 . 0 0 "[ . 1 . 2]" 1 1932 2 47 TYR QB 2 48 ALA MB . . 5.320 4.723 4.658 4.778 . 0 0 "[ . 1 . 2]" 1 1933 2 47 TYR QB 2 52 ILE H . . 3.790 3.370 3.225 3.643 . 0 0 "[ . 1 . 2]" 1 1934 2 47 TYR QB 2 52 ILE MG . . 3.850 2.080 1.972 2.346 . 0 0 "[ . 1 . 2]" 1 1935 2 47 TYR QB 2 54 ARG HA . . 4.780 2.401 2.172 2.832 . 0 0 "[ . 1 . 2]" 1 1936 2 47 TYR QB 2 54 ARG QB . . 5.340 3.486 3.186 3.940 . 0 0 "[ . 1 . 2]" 1 1937 2 47 TYR QB 2 57 GLY HA3 . . 3.590 2.675 2.495 3.377 . 0 0 "[ . 1 . 2]" 1 1938 2 48 ALA HA 2 51 ASN QB . . 4.720 4.518 4.224 4.629 . 0 0 "[ . 1 . 2]" 1 1939 2 48 ALA MB 2 51 ASN QB . . 5.340 5.363 5.051 5.477 0.137 8 0 "[ . 1 . 2]" 1 1940 2 51 ASN H 2 51 ASN QB . . 3.450 3.150 2.827 3.345 . 0 0 "[ . 1 . 2]" 1 1941 2 52 ILE HA 2 53 ASP QB . . 5.270 4.510 4.192 4.829 . 0 0 "[ . 1 . 2]" 1 1942 2 52 ILE MD 2 56 ARG QG . . 4.960 3.850 2.508 4.191 . 0 0 "[ . 1 . 2]" 1 1943 2 53 ASP H 2 53 ASP QB . . 3.470 2.434 2.166 2.871 . 0 0 "[ . 1 . 2]" 1 1944 2 53 ASP HA 2 54 ARG QD . . 5.500 5.493 4.646 5.714 0.214 15 0 "[ . 1 . 2]" 1 1945 2 53 ASP QB 2 54 ARG H . . 4.080 3.222 2.460 3.708 . 0 0 "[ . 1 . 2]" 1 1946 2 53 ASP QB 2 55 SER H . . 5.160 3.102 2.631 3.877 . 0 0 "[ . 1 . 2]" 1 1947 2 54 ARG H 2 54 ARG QD . . 3.810 3.683 2.975 3.910 0.100 15 0 "[ . 1 . 2]" 1 1948 2 54 ARG QG 2 55 SER H . . 4.560 2.401 2.141 2.538 . 0 0 "[ . 1 . 2]" 1 1949 2 54 ARG QG 2 55 SER HA . . 4.930 3.531 3.368 3.699 . 0 0 "[ . 1 . 2]" 1 1950 2 54 ARG QG 2 55 SER QB . . 4.670 3.577 3.171 4.090 . 0 0 "[ . 1 . 2]" 1 1951 2 54 ARG QG 2 56 ARG H . . 4.660 4.597 4.398 4.734 0.074 13 0 "[ . 1 . 2]" 1 1952 2 54 ARG QD 2 55 SER H . . 4.810 4.393 4.055 4.624 . 0 0 "[ . 1 . 2]" 1 1953 2 56 ARG H 2 56 ARG QG . . 3.900 2.706 2.455 3.845 . 0 0 "[ . 1 . 2]" 1 1954 2 56 ARG H 2 56 ARG QD . . 4.430 4.302 2.961 4.482 0.052 19 0 "[ . 1 . 2]" 1 1955 2 56 ARG QG 2 57 GLY H . . 4.790 4.323 4.218 4.671 . 0 0 "[ . 1 . 2]" 1 1956 2 56 ARG QG 2 60 HIS HD2 . . 5.340 4.475 2.932 4.724 . 0 0 "[ . 1 . 2]" 1 1957 2 56 ARG QD 2 59 TRP HD1 . . 4.800 4.780 4.484 4.915 0.115 3 0 "[ . 1 . 2]" 1 1958 2 56 ARG QD 2 60 HIS HD2 . . 4.310 4.415 4.352 4.647 0.337 13 0 "[ . 1 . 2]" 1 1959 2 59 TRP HH2 2 104 LYS QG . . 5.040 4.303 3.867 4.448 . 0 0 "[ . 1 . 2]" 1 1960 2 59 TRP HH2 2 104 LYS QD . . 5.340 5.056 4.891 5.358 0.018 4 0 "[ . 1 . 2]" 1 1961 2 62 ILE HA 2 66 MET QG . . 5.340 4.297 4.076 4.346 . 0 0 "[ . 1 . 2]" 1 1962 2 62 ILE MG 2 66 MET QG . . 3.470 3.054 2.962 3.114 . 0 0 "[ . 1 . 2]" 1 1963 2 63 LEU HA 2 67 LYS QE . . 5.100 4.366 4.105 4.669 . 0 0 "[ . 1 . 2]" 1 1964 2 63 LEU MD1 2 67 LYS QE . . 5.140 4.104 3.859 4.783 . 0 0 "[ . 1 . 2]" 1 1965 2 64 TYR HA 2 67 LYS QB . . 4.440 3.065 2.865 4.217 . 0 0 "[ . 1 . 2]" 1 1966 2 64 TYR HA 2 67 LYS QG . . 4.370 3.437 2.243 3.652 . 0 0 "[ . 1 . 2]" 1 1967 2 64 TYR HA 2 67 LYS QD . . 4.250 2.783 2.485 2.979 . 0 0 "[ . 1 . 2]" 1 1968 2 64 TYR HD2 2 65 LEU QB . . 5.150 4.459 4.277 4.569 . 0 0 "[ . 1 . 2]" 1 1969 2 65 LEU H 2 65 LEU QB . . 3.450 2.456 2.442 2.471 . 0 0 "[ . 1 . 2]" 1 1970 2 65 LEU HA 2 70 VAL QG . . 3.010 2.740 2.622 3.035 0.025 11 0 "[ . 1 . 2]" 1 1971 2 65 LEU QB 2 68 HIS HB2 . . 5.160 4.091 3.985 4.263 . 0 0 "[ . 1 . 2]" 1 1972 2 65 LEU QB 2 70 VAL H . . 4.880 4.073 3.955 4.533 . 0 0 "[ . 1 . 2]" 1 1973 2 65 LEU QB 2 70 VAL QG . . 3.170 2.214 2.096 2.609 . 0 0 "[ . 1 . 2]" 1 1974 2 66 MET H 2 66 MET QG . . 3.390 2.353 2.247 2.491 . 0 0 "[ . 1 . 2]" 1 1975 2 66 MET HA 2 66 MET QG . . 3.410 2.321 2.261 2.346 . 0 0 "[ . 1 . 2]" 1 1976 2 66 MET HA 2 109 VAL QG . . 5.020 3.860 3.793 3.939 . 0 0 "[ . 1 . 2]" 1 1977 2 66 MET HB2 2 109 VAL QG . . 4.140 2.060 1.978 2.196 . 0 0 "[ . 1 . 2]" 1 1978 2 66 MET QG 2 67 LYS H . . 5.040 4.245 4.170 4.296 . 0 0 "[ . 1 . 2]" 1 1979 2 66 MET QG 2 70 VAL H . . 5.340 5.267 5.095 5.342 0.002 19 0 "[ . 1 . 2]" 1 1980 2 66 MET QG 2 71 THR HA . . 4.000 3.859 3.202 3.997 . 0 0 "[ . 1 . 2]" 1 1981 2 66 MET QG 2 71 THR MG . . 4.010 2.899 2.684 3.394 . 0 0 "[ . 1 . 2]" 1 1982 2 66 MET QG 2 76 ILE MD . . 4.460 3.482 2.939 3.666 . 0 0 "[ . 1 . 2]" 1 1983 2 66 MET QG 2 102 LEU QD . . 5.140 3.885 3.660 3.960 . 0 0 "[ . 1 . 2]" 1 1984 2 66 MET QG 2 106 TRP HE3 . . 4.360 2.981 2.810 3.827 . 0 0 "[ . 1 . 2]" 1 1985 2 66 MET QG 2 106 TRP HZ3 . . 5.240 3.709 3.513 4.412 . 0 0 "[ . 1 . 2]" 1 1986 2 67 LYS H 2 67 LYS QB . . 3.330 2.371 2.331 2.652 . 0 0 "[ . 1 . 2]" 1 1987 2 67 LYS H 2 67 LYS QG . . 3.270 2.262 1.937 2.336 . 0 0 "[ . 1 . 2]" 1 1988 2 67 LYS H 2 67 LYS QD . . 4.270 3.777 3.715 4.051 . 0 0 "[ . 1 . 2]" 1 1989 2 67 LYS H 2 109 VAL QG . . 3.610 3.171 2.946 3.311 . 0 0 "[ . 1 . 2]" 1 1990 2 67 LYS HA 2 67 LYS QG . . 3.550 2.383 2.313 3.343 . 0 0 "[ . 1 . 2]" 1 1991 2 67 LYS HA 2 67 LYS QD . . 4.720 3.994 3.942 4.516 . 0 0 "[ . 1 . 2]" 1 1992 2 67 LYS HA 2 109 VAL QG . . 3.200 2.990 2.685 3.278 0.078 4 0 "[ . 1 . 2]" 1 1993 2 67 LYS QB 2 67 LYS QD . . 3.060 2.153 2.130 2.340 . 0 0 "[ . 1 . 2]" 1 1994 2 67 LYS QB 2 67 LYS QE . . 4.520 3.451 1.915 3.540 . 0 0 "[ . 1 . 2]" 1 1995 2 67 LYS QB 2 68 HIS H . . 3.950 2.939 2.814 3.707 . 0 0 "[ . 1 . 2]" 1 1996 2 67 LYS QB 2 68 HIS HD2 . . 4.980 2.889 2.532 4.075 . 0 0 "[ . 1 . 2]" 1 1997 2 67 LYS QB 2 69 GLY H . . 5.240 4.514 4.445 4.644 . 0 0 "[ . 1 . 2]" 1 1998 2 67 LYS QE 2 67 LYS QG . . 3.100 2.112 2.087 2.349 . 0 0 "[ . 1 . 2]" 1 1999 2 67 LYS QG 2 112 TYR HE2 . . 5.030 2.479 2.274 4.547 . 0 0 "[ . 1 . 2]" 1 2000 2 67 LYS QE 2 109 VAL HA . . 5.340 3.620 3.191 4.658 . 0 0 "[ . 1 . 2]" 1 2001 2 67 LYS QE 2 109 VAL QG . . 3.980 2.319 2.183 2.908 . 0 0 "[ . 1 . 2]" 1 2002 2 67 LYS QE 2 112 TYR HE2 . . 4.740 2.878 2.493 3.223 . 0 0 "[ . 1 . 2]" 1 2003 2 67 LYS QE 2 112 TYR HD2 . . 4.040 3.202 3.026 3.979 . 0 0 "[ . 1 . 2]" 1 2004 2 68 HIS HB2 2 70 VAL QG . . 4.440 2.403 2.286 2.624 . 0 0 "[ . 1 . 2]" 1 2005 2 69 GLY QA 2 71 THR H . . 4.230 3.290 3.190 3.484 . 0 0 "[ . 1 . 2]" 1 2006 2 71 THR H 2 72 ASP QB . . 5.340 4.893 4.795 5.297 . 0 0 "[ . 1 . 2]" 1 2007 2 71 THR MG 2 72 ASP QB . . 4.720 4.278 4.198 4.397 . 0 0 "[ . 1 . 2]" 1 2008 2 72 ASP H 2 72 ASP QB . . 3.400 2.916 2.842 3.418 0.018 19 0 "[ . 1 . 2]" 1 2009 2 72 ASP H 2 75 LYS QB . . 4.270 3.520 3.069 3.914 . 0 0 "[ . 1 . 2]" 1 2010 2 72 ASP QB 2 73 PRO QD . . 4.830 3.206 1.965 3.521 . 0 0 "[ . 1 . 2]" 1 2011 2 72 ASP QB 2 75 LYS H . . 4.760 3.172 2.390 3.802 . 0 0 "[ . 1 . 2]" 1 2012 2 72 ASP QB 2 75 LYS QB . . 4.490 2.928 2.344 4.635 0.145 20 0 "[ . 1 . 2]" 1 2013 2 72 ASP QB 2 75 LYS QG . . 4.190 2.793 2.169 4.166 . 0 0 "[ . 1 . 2]" 1 2014 2 74 ASP H 2 74 ASP QB . . 2.820 2.324 2.182 2.759 . 0 0 "[ . 1 . 2]" 1 2015 2 74 ASP H 2 75 LYS QB . . 5.290 4.673 4.374 4.906 . 0 0 "[ . 1 . 2]" 1 2016 2 74 ASP QB 2 75 LYS H . . 3.530 2.687 2.494 3.503 . 0 0 "[ . 1 . 2]" 1 2017 2 74 ASP QB 2 75 LYS HA . . 5.310 4.126 3.977 4.341 . 0 0 "[ . 1 . 2]" 1 2018 2 74 ASP QB 2 75 LYS QB . . 5.030 4.444 4.288 5.114 0.084 19 0 "[ . 1 . 2]" 1 2019 2 75 LYS H 2 75 LYS QB . . 3.090 2.433 2.242 2.644 . 0 0 "[ . 1 . 2]" 1 2020 2 75 LYS H 2 75 LYS QG . . 3.540 2.284 2.004 3.418 . 0 0 "[ . 1 . 2]" 1 2021 2 75 LYS H 2 75 LYS QE . . 5.340 4.249 3.476 4.836 . 0 0 "[ . 1 . 2]" 1 2022 2 75 LYS HA 2 75 LYS QG . . 3.350 2.572 2.255 3.210 . 0 0 "[ . 1 . 2]" 1 2023 2 75 LYS QB 2 76 ILE H . . 4.210 2.611 2.451 2.752 . 0 0 "[ . 1 . 2]" 1 2024 2 77 LEU QD 2 87 LYS QB . . 5.340 3.868 3.555 4.213 . 0 0 "[ . 1 . 2]" 1 2025 2 78 GLU H 2 80 LEU QD . . 5.440 4.803 4.451 4.955 . 0 0 "[ . 1 . 2]" 1 2026 2 78 GLU QG 2 79 LEU H . . 4.390 3.800 3.653 4.405 0.015 9 0 "[ . 1 . 2]" 1 2027 2 79 LEU HG 2 80 LEU QD . . 4.800 3.784 2.820 4.358 . 0 0 "[ . 1 . 2]" 1 2028 2 80 LEU HA 2 80 LEU QD . . 3.690 2.086 1.942 3.395 . 0 0 "[ . 1 . 2]" 1 2029 2 80 LEU QB 2 84 SER H . . 4.880 4.723 4.389 4.964 0.084 10 0 "[ . 1 . 2]" 1 2030 2 80 LEU QB 2 84 SER QB . . 4.560 2.899 2.409 3.226 . 0 0 "[ . 1 . 2]" 1 2031 2 80 LEU QD 2 84 SER H . . 5.440 5.148 4.023 5.440 0.000 20 0 "[ . 1 . 2]" 1 2032 2 82 ARG H 2 82 ARG QG . . 3.320 2.766 1.725 3.271 . 0 0 "[ . 1 . 2]" 1 2033 2 82 ARG QG 2 83 ASP H . . 4.060 3.299 3.096 3.662 . 0 0 "[ . 1 . 2]" 1 2034 2 83 ASP H 2 83 ASP QB . . 3.460 2.361 2.262 2.941 . 0 0 "[ . 1 . 2]" 1 2035 2 84 SER QB 2 85 LYS QB . . 5.340 5.163 5.046 5.401 0.061 16 0 "[ . 1 . 2]" 1 2036 2 84 SER QB 2 87 LYS QB . . 4.560 3.762 3.498 4.644 0.084 1 0 "[ . 1 . 2]" 1 2037 2 85 LYS QB 2 94 THR MG . . 5.080 4.035 3.812 4.301 . 0 0 "[ . 1 . 2]" 1 2038 2 87 LYS QB 2 88 GLU HA . . 5.340 4.372 4.226 4.661 . 0 0 "[ . 1 . 2]" 1 2039 2 100 ILE HA 2 103 SER QB . . 5.340 3.089 2.947 3.162 . 0 0 "[ . 1 . 2]" 1 2040 2 100 ILE MG 2 103 SER QB . . 4.530 4.464 4.268 4.553 0.023 14 0 "[ . 1 . 2]" 1 2041 2 101 THR H 2 103 SER QB . . 4.880 4.894 4.832 4.965 0.085 2 0 "[ . 1 . 2]" 1 2042 2 102 LEU H 2 103 SER QB . . 4.730 4.336 4.282 4.541 . 0 0 "[ . 1 . 2]" 1 2043 2 102 LEU QB 2 103 SER QB . . 4.560 4.156 4.063 4.610 0.050 2 0 "[ . 1 . 2]" 1 2044 2 103 SER H 2 103 SER QB . . 3.700 2.243 2.229 2.323 . 0 0 "[ . 1 . 2]" 1 2045 2 103 SER HA 2 104 LYS QD . . 5.340 5.260 4.640 5.640 0.300 11 0 "[ . 1 . 2]" 1 2046 2 103 SER QB 2 104 LYS H . . 4.260 2.575 2.510 2.622 . 0 0 "[ . 1 . 2]" 1 2047 2 103 SER QB 2 104 LYS QG . . 4.450 3.357 3.015 4.574 0.124 17 0 "[ . 1 . 2]" 1 2048 2 104 LYS H 2 104 LYS QG . . 4.140 2.499 2.195 3.587 . 0 0 "[ . 1 . 2]" 1 2049 2 104 LYS H 2 104 LYS QD . . 5.030 3.289 2.211 3.545 . 0 0 "[ . 1 . 2]" 1 2050 2 104 LYS HA 2 104 LYS QG . . 3.370 2.813 2.104 2.971 . 0 0 "[ . 1 . 2]" 1 2051 2 104 LYS HA 2 104 LYS QD . . 4.380 2.293 2.033 3.880 . 0 0 "[ . 1 . 2]" 1 2052 2 104 LYS QG 2 105 ALA H . . 4.730 4.164 3.978 4.639 . 0 0 "[ . 1 . 2]" 1 2053 2 104 LYS QD 2 105 ALA H . . 5.050 4.899 4.417 5.021 . 0 0 "[ . 1 . 2]" 1 2054 2 106 TRP HA 2 109 VAL QG . . 4.750 3.019 2.045 3.405 . 0 0 "[ . 1 . 2]" 1 2055 2 106 TRP HE3 2 109 VAL QG . . 3.950 3.050 2.115 3.481 . 0 0 "[ . 1 . 2]" 1 2056 2 106 TRP HZ3 2 109 VAL QG . . 3.660 2.944 2.587 3.242 . 0 0 "[ . 1 . 2]" 1 2057 2 107 SER H 2 109 VAL QG . . 5.090 4.937 4.332 5.153 0.063 11 0 "[ . 1 . 2]" 1 2058 2 109 VAL H 2 109 VAL QG . . 2.900 2.249 2.195 2.359 . 0 0 "[ . 1 . 2]" 1 2059 2 109 VAL HA 2 109 VAL QG . . 2.960 2.114 2.088 2.183 . 0 0 "[ . 1 . 2]" 1 2060 2 109 VAL QG 2 112 TYR QB . . 4.370 3.240 3.194 3.278 . 0 0 "[ . 1 . 2]" 1 2061 2 109 VAL QG 2 112 TYR HD2 . . 2.970 2.479 2.436 2.535 . 0 0 "[ . 1 . 2]" 1 2062 2 109 VAL QG 2 113 LEU HG . . 4.020 3.351 3.218 3.525 . 0 0 "[ . 1 . 2]" 1 2063 2 111 LYS QB 2 114 GLU QG . . 5.010 4.092 3.359 4.216 . 0 0 "[ . 1 . 2]" 1 2064 2 112 TYR HA 2 114 GLU QG . . 5.320 4.348 4.281 4.410 . 0 0 "[ . 1 . 2]" 1 2065 2 113 LEU H 2 114 GLU QG . . 4.820 4.096 4.027 4.164 . 0 0 "[ . 1 . 2]" 1 2066 2 113 LEU HA 2 114 GLU QG . . 5.320 4.606 4.563 4.658 . 0 0 "[ . 1 . 2]" 1 2067 2 114 GLU H 2 114 GLU QG . . 3.280 2.241 2.211 2.274 . 0 0 "[ . 1 . 2]" 1 2068 2 114 GLU HA 2 114 GLU QG . . 3.440 3.329 3.318 3.432 . 0 0 "[ . 1 . 2]" 1 2069 2 114 GLU QG 2 115 ALA H . . 4.060 3.486 3.365 4.155 0.095 6 0 "[ . 1 . 2]" 1 2070 1 1 DC H1' 1 1 DC H6 . . 3.700 3.719 3.700 3.733 0.033 11 0 "[ . 1 . 2]" 1 2071 1 1 DC H3' 1 1 DC H6 . . 3.800 3.887 3.760 3.954 0.154 13 0 "[ . 1 . 2]" 1 2072 1 1 DC H4' 1 1 DC H6 . . 4.300 4.370 4.312 4.425 0.125 1 0 "[ . 1 . 2]" 1 2073 1 1 DC Q2' 1 1 DC H6 . . 3.000 2.147 2.022 2.323 . 0 0 "[ . 1 . 2]" 1 2074 1 1 DC H1' 1 1 DC H3' . . 4.000 3.883 3.856 3.929 . 0 0 "[ . 1 . 2]" 1 2075 1 1 DC H1' 1 1 DC H4' . . 3.900 3.458 3.312 3.538 . 0 0 "[ . 1 . 2]" 1 2076 1 1 DC H1' 1 1 DC Q2' . . 3.000 2.251 2.238 2.269 . 0 0 "[ . 1 . 2]" 1 2077 1 1 DC H3' 1 2 DT H6 . . 3.300 2.842 2.428 3.328 0.028 20 0 "[ . 1 . 2]" 1 2078 1 1 DC Q2' 1 2 DT H6 . . 4.400 3.622 2.948 4.458 0.058 13 0 "[ . 1 . 2]" 1 2079 1 1 DC H6 1 2 DT M7 . . 4.500 3.797 2.681 4.286 . 0 0 "[ . 1 . 2]" 1 2080 1 1 DC Q5' 1 2 DT H6 . . 5.900 4.224 3.122 5.130 . 0 0 "[ . 1 . 2]" 1 2081 1 2 DT H1' 1 2 DT H6 . . 3.700 3.718 3.704 3.732 0.032 19 0 "[ . 1 . 2]" 1 2082 1 2 DT Q2' 1 2 DT H6 . . 3.000 2.228 2.015 2.376 . 0 0 "[ . 1 . 2]" 1 2083 1 2 DT H3' 1 2 DT H6 . . 4.000 4.051 3.939 4.125 0.125 20 0 "[ . 1 . 2]" 1 2084 1 2 DT H4' 1 2 DT H6 . . 4.500 4.498 4.403 4.575 0.075 3 0 "[ . 1 . 2]" 1 2085 1 2 DT H1' 1 2 DT H3' . . 3.900 3.822 3.794 3.867 . 0 0 "[ . 1 . 2]" 1 2086 1 2 DT H1' 1 2 DT H4' . . 3.600 3.224 2.965 3.566 . 0 0 "[ . 1 . 2]" 1 2087 1 2 DT H1' 1 2 DT Q2' . . 3.000 2.268 2.225 2.291 . 0 0 "[ . 1 . 2]" 1 2088 1 2 DT Q2' 1 2 DT H3' . . 3.000 2.212 2.200 2.232 . 0 0 "[ . 1 . 2]" 1 2089 1 2 DT H4' 1 3 DG H3' . . 4.900 4.887 4.682 4.973 0.073 13 0 "[ . 1 . 2]" 1 2090 1 2 DT H3' 1 3 DG H3' . . 3.500 2.503 2.259 2.723 . 0 0 "[ . 1 . 2]" 1 2091 1 2 DT H3' 1 3 DG H4' . . 4.800 4.766 4.534 4.891 0.091 2 0 "[ . 1 . 2]" 1 2092 1 3 DG H1' 1 3 DG H8 . . 3.800 3.892 3.879 3.901 0.101 19 0 "[ . 1 . 2]" 1 2093 1 3 DG Q2' 1 3 DG H8 . . 3.500 2.309 2.162 2.476 . 0 0 "[ . 1 . 2]" 1 2094 1 3 DG H3' 1 3 DG H8 . . 4.800 4.321 4.020 4.516 . 0 0 "[ . 1 . 2]" 1 2095 1 3 DG H4' 1 3 DG H8 . . 4.800 4.930 4.798 5.025 0.225 16 0 "[ . 1 . 2]" 1 2096 1 3 DG H1' 1 3 DG H3' . . 3.900 3.810 3.746 3.917 0.017 19 0 "[ . 1 . 2]" 1 2097 1 3 DG H3' 1 3 DG Q5' . . 3.000 2.580 2.463 2.675 . 0 0 "[ . 1 . 2]" 1 2098 1 3 DG Q2' 1 3 DG H3' . . 3.000 2.213 2.187 2.237 . 0 0 "[ . 1 . 2]" 1 2099 1 3 DG H1' 1 3 DG H4' . . 3.500 3.148 2.982 3.279 . 0 0 "[ . 1 . 2]" 1 2100 1 3 DG Q2' 1 4 DT H6 . . 4.000 2.723 2.118 3.115 . 0 0 "[ . 1 . 2]" 1 2101 1 3 DG H3' 1 4 DT H6 . . 4.500 4.632 4.478 4.724 0.224 11 0 "[ . 1 . 2]" 1 2102 1 3 DG Q2' 1 4 DT M7 . . 4.300 2.084 1.946 2.376 . 0 0 "[ . 1 . 2]" 1 2103 1 4 DT H1' 1 4 DT H6 . . 3.700 3.724 3.708 3.740 0.040 13 0 "[ . 1 . 2]" 1 2104 1 4 DT H3' 1 4 DT H6 . . 4.300 4.010 3.894 4.156 . 0 0 "[ . 1 . 2]" 1 2105 1 4 DT H4' 1 4 DT H6 . . 4.700 4.643 4.082 4.871 0.171 15 0 "[ . 1 . 2]" 1 2106 1 4 DT Q2' 1 4 DT H6 . . 3.000 2.000 1.885 2.508 . 0 0 "[ . 1 . 2]" 1 2107 1 4 DT H6 1 4 DT M7 . . 3.000 2.206 2.195 2.222 . 0 0 "[ . 1 . 2]" 1 2108 1 4 DT H1' 1 4 DT H4' . . 3.500 3.470 3.309 3.592 0.092 4 0 "[ . 1 . 2]" 1 2109 1 4 DT H1' 1 4 DT H3' . . 4.000 3.850 3.771 3.925 . 0 0 "[ . 1 . 2]" 1 2110 1 4 DT Q2' 1 4 DT M7 . . 5.500 3.634 3.563 3.939 . 0 0 "[ . 1 . 2]" 1 2111 1 4 DT Q2' 1 5 DG Q5' . . 3.600 2.676 1.890 3.449 . 0 0 "[ . 1 . 2]" 1 2112 1 4 DT Q2' 1 5 DG H8 . . 5.500 3.557 3.086 3.961 . 0 0 "[ . 1 . 2]" 1 2113 1 5 DG H1' 1 5 DG H8 . . 3.900 3.828 3.726 3.897 . 0 0 "[ . 1 . 2]" 1 2114 1 5 DG Q2' 1 5 DG H8 . . 3.200 2.105 1.940 2.269 . 0 0 "[ . 1 . 2]" 1 2115 1 5 DG H3' 1 5 DG H8 . . 3.300 3.355 2.770 3.626 0.326 4 0 "[ . 1 . 2]" 1 2116 1 5 DG Q5' 1 5 DG H8 . . 3.100 2.077 1.874 2.388 . 0 0 "[ . 1 . 2]" 1 2117 1 5 DG H1' 1 5 DG H3' . . 4.000 4.070 4.025 4.119 0.119 10 0 "[ . 1 . 2]" 1 2118 1 5 DG H1' 1 5 DG Q5' . . 4.100 3.869 3.668 4.030 . 0 0 "[ . 1 . 2]" 1 2119 1 5 DG Q2' 1 5 DG Q5' . . 3.500 2.748 2.488 3.146 . 0 0 "[ . 1 . 2]" 1 2120 1 5 DG Q2' 1 6 DC H4' . . 5.000 4.284 3.318 5.040 0.040 17 0 "[ . 1 . 2]" 1 2121 1 6 DC H1' 1 6 DC H6 . . 3.900 3.714 3.701 3.735 . 0 0 "[ . 1 . 2]" 1 2122 1 6 DC Q2' 1 6 DC H6 . . 3.300 2.321 2.146 2.543 . 0 0 "[ . 1 . 2]" 1 2123 1 6 DC H3' 1 6 DC H6 . . 4.400 4.072 4.004 4.195 . 0 0 "[ . 1 . 2]" 1 2124 1 6 DC H4' 1 6 DC H6 . . 4.300 4.397 4.343 4.437 0.137 17 0 "[ . 1 . 2]" 1 2125 1 6 DC H1' 1 6 DC H3' . . 3.900 3.835 3.816 3.855 . 0 0 "[ . 1 . 2]" 1 2126 1 6 DC Q2' 1 6 DC H5 . . 5.500 4.212 4.130 4.323 . 0 0 "[ . 1 . 2]" 1 2127 1 6 DC H5 1 6 DC H6 . . 3.000 2.431 2.423 2.440 . 0 0 "[ . 1 . 2]" 1 2128 1 6 DC Q2' 1 7 DT H6 . . 3.400 2.904 2.414 3.260 . 0 0 "[ . 1 . 2]" 1 2129 1 6 DC H1' 1 7 DT H6 . . 3.300 2.971 2.396 3.494 0.194 14 0 "[ . 1 . 2]" 1 2130 1 6 DC H3' 1 7 DT H6 . . 4.500 4.433 3.929 4.752 0.252 15 0 "[ . 1 . 2]" 1 2131 1 6 DC H4' 1 7 DT H6 . . 4.800 4.596 4.249 4.849 0.049 5 0 "[ . 1 . 2]" 1 2132 1 6 DC H3' 1 7 DT Q5' . . 4.500 4.144 2.169 4.539 0.039 4 0 "[ . 1 . 2]" 1 2133 1 6 DC H3' 1 7 DT Q2' . . 4.500 3.965 2.884 4.588 0.088 7 0 "[ . 1 . 2]" 1 2134 1 6 DC H1' 1 7 DT M7 . . 3.300 2.326 2.106 2.733 . 0 0 "[ . 1 . 2]" 1 2135 1 7 DT H1' 1 7 DT H6 . . 3.800 3.709 3.630 3.744 . 0 0 "[ . 1 . 2]" 1 2136 1 7 DT Q2' 1 7 DT H6 . . 3.000 2.471 2.090 3.039 0.039 13 0 "[ . 1 . 2]" 1 2137 1 7 DT H4' 1 7 DT H6 . . 4.800 4.484 4.257 4.741 . 0 0 "[ . 1 . 2]" 1 2138 1 7 DT H6 1 7 DT M7 . . 3.000 2.207 2.197 2.214 . 0 0 "[ . 1 . 2]" 1 2139 1 7 DT H1' 1 7 DT H4' . . 3.200 3.095 2.727 3.350 0.150 14 0 "[ . 1 . 2]" 1 2140 1 7 DT H1' 1 8 DC H6 . . 3.000 2.512 2.251 2.753 . 0 0 "[ . 1 . 2]" 1 2141 1 7 DT Q2' 1 8 DC H6 . . 4.200 4.172 3.007 4.323 0.123 6 0 "[ . 1 . 2]" 1 2142 1 7 DT H3' 1 8 DC H6 . . 5.000 4.994 4.604 5.139 0.139 2 0 "[ . 1 . 2]" 1 2143 1 7 DT H4' 1 8 DC H6 . . 3.800 2.838 2.194 3.641 . 0 0 "[ . 1 . 2]" 1 2144 1 7 DT H1' 1 8 DC Q2' . . 3.700 3.498 2.731 3.807 0.107 9 0 "[ . 1 . 2]" 1 2145 1 8 DC H1' 1 8 DC H6 . . 4.000 3.725 3.653 3.744 . 0 0 "[ . 1 . 2]" 1 2146 1 8 DC H1' 1 8 DC H5 . . 5.400 5.431 5.384 5.443 0.043 17 0 "[ . 1 . 2]" 1 2147 1 8 DC H4' 1 8 DC H6 . . 4.600 4.534 4.350 4.635 0.035 11 0 "[ . 1 . 2]" 1 2148 1 8 DC Q2' 1 8 DC H6 . . 3.000 2.218 1.989 2.909 . 0 0 "[ . 1 . 2]" 1 2149 1 8 DC H1' 1 8 DC H3' . . 4.000 3.815 3.755 3.894 . 0 0 "[ . 1 . 2]" 1 2150 1 8 DC H1' 1 8 DC H4' . . 4.000 3.278 3.058 3.598 . 0 0 "[ . 1 . 2]" 1 2151 1 8 DC H3' 1 9 DA H8 . . 4.100 3.423 1.955 4.293 0.193 13 0 "[ . 1 . 2]" 1 2152 1 8 DC H4' 1 9 DA H8 . . 3.200 2.611 2.235 3.337 0.137 18 0 "[ . 1 . 2]" 1 2153 1 8 DC Q2' 1 9 DA H8 . . 4.100 4.152 3.844 4.295 0.195 2 0 "[ . 1 . 2]" 1 2154 1 9 DA H1' 1 9 DA H8 . . 3.800 3.903 3.861 3.918 0.118 12 0 "[ . 1 . 2]" 1 2155 1 9 DA H4' 1 9 DA H8 . . 4.800 4.666 4.206 4.799 . 0 0 "[ . 1 . 2]" 1 2156 1 9 DA Q2' 1 9 DA H8 . . 3.100 2.465 2.214 3.092 . 0 0 "[ . 1 . 2]" 1 2157 2 113 LEU HA 2 113 LEU MD2 . . 4.000 4.050 4.042 4.057 0.057 13 0 "[ . 1 . 2]" 1 2158 2 28 ILE MG 2 64 TYR QE . . 4.500 2.718 2.107 3.261 . 0 0 "[ . 1 . 2]" 1 2159 2 28 ILE MD 2 64 TYR QE . . 5.500 2.090 1.998 2.142 . 0 0 "[ . 1 . 2]" 1 2160 2 37 ILE MD 2 64 TYR QD . . 5.000 2.942 2.666 3.053 . 0 0 "[ . 1 . 2]" 1 2161 2 55 SER QB 2 97 TYR QE . . 5.000 5.277 4.516 6.383 1.383 13 5 "[ .* - * + * 2]" 1 2162 2 77 LEU QD 2 98 PHE HZ . . 5.800 6.057 5.666 6.216 0.416 17 0 "[ . 1 . 2]" 1 2163 2 59 TRP HH2 2 108 VAL QG . . 4.000 2.604 2.385 2.969 . 0 0 "[ . 1 . 2]" 1 2164 2 63 LEU MD2 2 109 VAL MG2 . . 4.500 2.102 1.806 2.951 . 0 0 "[ . 1 . 2]" 1 2165 2 63 LEU MD1 2 108 VAL MG1 . . 5.300 2.885 2.571 3.268 . 0 0 "[ . 1 . 2]" 1 2166 2 21 VAL QG 2 78 GLU QG . . 4.600 3.021 2.353 3.634 . 0 0 "[ . 1 . 2]" 1 2167 2 21 VAL QG 2 75 LYS QG . . 4.700 3.199 2.454 4.249 . 0 0 "[ . 1 . 2]" 1 2168 2 25 LYS QE 2 79 LEU MD2 . . 5.600 5.156 4.568 5.787 0.187 20 0 "[ . 1 . 2]" 1 2169 2 62 ILE QG 2 76 ILE MG . . 4.500 2.282 2.081 2.472 . 0 0 "[ . 1 . 2]" 1 2170 2 12 LEU MD2 2 102 LEU MD1 . . 5.800 3.256 3.123 3.466 . 0 0 "[ . 1 . 2]" 1 2171 2 37 ILE MD 2 61 VAL QG . . 4.000 2.248 2.120 2.374 . 0 0 "[ . 1 . 2]" 1 2172 2 37 ILE QG 2 64 TYR QB . . 4.200 2.894 2.758 3.070 . 0 0 "[ . 1 . 2]" 1 2173 2 28 ILE MD 2 68 HIS QB . . 4.500 3.998 3.571 4.476 . 0 0 "[ . 1 . 2]" 1 2174 2 23 LYS QB 2 27 GLU QG . . 5.100 4.246 3.593 4.368 . 0 0 "[ . 1 . 2]" 1 2175 2 25 LYS QB 2 26 GLU QB . . 5.200 4.877 4.843 4.896 . 0 0 "[ . 1 . 2]" 1 2176 2 16 ASP QB 2 18 GLY QA . . 5.000 3.682 3.556 3.830 . 0 0 "[ . 1 . 2]" 1 2177 2 16 ASP HA 2 18 GLY QA . . 5.500 5.299 5.195 5.501 0.001 1 0 "[ . 1 . 2]" 1 2178 2 17 SER HA 2 18 GLY QA . . 4.500 4.259 4.203 4.281 . 0 0 "[ . 1 . 2]" 1 2179 2 37 ILE MG 2 64 TYR QE . . 4.900 2.877 2.727 3.162 . 0 0 "[ . 1 . 2]" 1 2180 2 37 ILE MD 2 64 TYR HE1 . . 5.100 4.898 4.768 5.026 . 0 0 "[ . 1 . 2]" 1 2181 2 113 LEU HA 2 115 ALA MB . . 5.500 6.001 5.035 6.830 1.330 12 11 "[ - ** **+**** *]" 1 2182 2 113 LEU HA 2 114 GLU QB . . 6.000 5.272 5.257 5.301 . 0 0 "[ . 1 . 2]" 1 2183 2 104 LYS HA 2 107 SER HA . . 5.800 5.596 5.532 5.667 . 0 0 "[ . 1 . 2]" 1 2184 2 104 LYS HA 2 108 VAL QG . . 5.300 3.954 3.347 4.668 . 0 0 "[ . 1 . 2]" 1 2185 2 107 SER HA 2 111 LYS QB . . 5.800 4.652 4.473 4.883 . 0 0 "[ . 1 . 2]" 1 2186 2 59 TRP HA 2 63 LEU QB . . 6.000 5.447 5.328 5.536 . 0 0 "[ . 1 . 2]" 1 2187 2 8 LEU QB 2 11 GLU QB . . 5.000 4.846 4.756 5.000 0.000 11 0 "[ . 1 . 2]" 1 2188 2 14 LYS QG 2 15 ARG QB . . 6.000 3.657 3.631 3.732 . 0 0 "[ . 1 . 2]" 1 2189 2 26 GLU QB 2 30 THR MG . . 6.000 5.139 4.986 5.317 . 0 0 "[ . 1 . 2]" 1 2190 2 30 THR HA 2 31 LYS QB . . 5.500 5.372 5.237 5.433 . 0 0 "[ . 1 . 2]" 1 2191 2 71 THR MG 2 106 TRP HE3 . . 5.100 3.724 3.489 3.922 . 0 0 "[ . 1 . 2]" 1 2192 2 100 ILE MG 2 104 LYS QB . . 6.500 4.269 4.031 4.388 . 0 0 "[ . 1 . 2]" 1 2193 2 47 TYR QB 2 83 ASP QB . . 5.600 5.663 5.583 5.815 0.215 12 0 "[ . 1 . 2]" 1 2194 2 17 SER QB 2 70 VAL QG . . 4.000 2.533 2.273 3.589 . 0 0 "[ . 1 . 2]" 1 2195 1 5 DG H4' 2 56 ARG QG . . 5.100 3.423 2.811 5.032 . 0 0 "[ . 1 . 2]" 1 2196 1 5 DG H1' 2 56 ARG QG . . 4.600 2.853 2.355 4.282 . 0 0 "[ . 1 . 2]" 1 2197 1 5 DG H4' 2 56 ARG QD . . 4.700 2.924 2.301 3.404 . 0 0 "[ . 1 . 2]" 1 2198 1 5 DG Q2' 2 56 ARG QD . . 4.600 3.907 3.506 4.262 . 0 0 "[ . 1 . 2]" 1 2199 1 5 DG H1' 2 56 ARG QD . . 4.500 4.098 2.947 4.418 . 0 0 "[ . 1 . 2]" 1 2200 1 5 DG Q2' 2 59 TRP QB . . 4.500 3.612 3.230 4.150 . 0 0 "[ . 1 . 2]" 1 2201 1 5 DG H1' 2 59 TRP QB . . 4.100 2.735 2.347 2.994 . 0 0 "[ . 1 . 2]" 1 2202 1 6 DC Q5' 2 60 HIS HE1 . . 4.300 2.997 2.170 4.332 0.032 5 0 "[ . 1 . 2]" 1 2203 1 6 DC H4' 2 60 HIS HE1 . . 3.000 2.363 2.058 2.634 . 0 0 "[ . 1 . 2]" 1 2204 1 6 DC H3' 2 60 HIS HE1 . . 4.400 4.055 3.236 4.577 0.177 20 0 "[ . 1 . 2]" 1 2205 1 6 DC Q2' 2 60 HIS HE1 . . 5.400 5.200 4.754 5.468 0.068 9 0 "[ . 1 . 2]" 1 2206 1 7 DT M7 2 63 LEU QD . . 5.200 3.167 2.285 3.971 . 0 0 "[ . 1 . 2]" 1 2207 1 6 DC H4' 2 63 LEU QD . . 5.400 4.062 3.504 4.574 . 0 0 "[ . 1 . 2]" 1 2208 1 6 DC H1' 2 63 LEU QD . . 5.600 4.399 4.039 4.749 . 0 0 "[ . 1 . 2]" 1 2209 1 7 DT M7 2 67 LYS QE . . 5.600 4.494 3.644 5.034 . 0 0 "[ . 1 . 2]" 1 2210 1 2 DT Q2' 2 92 TRP HH2 . . 4.000 2.233 2.115 2.353 . 0 0 "[ . 1 . 2]" 1 2211 1 3 DG Q2' 2 92 TRP HH2 . . 4.300 3.191 2.953 3.574 . 0 0 "[ . 1 . 2]" 1 2212 1 2 DT Q5' 2 92 TRP HH2 . . 5.400 5.025 4.445 5.490 0.090 16 0 "[ . 1 . 2]" 1 2213 1 2 DT H1' 2 92 TRP HH2 . . 5.300 4.694 4.516 4.900 . 0 0 "[ . 1 . 2]" 1 2214 1 2 DT Q2' 2 92 TRP HZ2 . . 4.000 2.154 2.102 2.218 . 0 0 "[ . 1 . 2]" 1 2215 1 2 DT H3' 2 92 TRP HH2 . . 3.500 3.563 3.520 3.671 0.171 11 0 "[ . 1 . 2]" 1 2216 1 2 DT H3' 2 92 TRP HZ2 . . 3.000 3.010 2.825 3.136 0.136 18 0 "[ . 1 . 2]" 1 2217 1 3 DG H3' 2 92 TRP HZ2 . . 4.200 3.805 3.217 3.929 . 0 0 "[ . 1 . 2]" 1 2218 1 2 DT H1' 2 96 LYS QE . . 4.000 3.816 3.146 4.110 0.110 6 0 "[ . 1 . 2]" 1 2219 1 4 DT M7 2 97 TYR QE . . 4.900 3.381 2.825 4.004 . 0 0 "[ . 1 . 2]" 1 2220 1 4 DT M7 2 97 TYR QD . . 4.100 2.934 2.155 3.392 . 0 0 "[ . 1 . 2]" 1 2221 1 4 DT M7 2 100 ILE MD . . 4.400 3.115 2.760 3.339 . 0 0 "[ . 1 . 2]" 1 2222 1 2 DT Q2' 2 100 ILE MD . . 4.000 2.227 2.065 2.407 . 0 0 "[ . 1 . 2]" 1 2223 1 2 DT Q5' 2 100 ILE MD . . 5.600 3.900 3.176 4.565 . 0 0 "[ . 1 . 2]" 1 2224 1 2 DT H3' 2 100 ILE MD . . 4.900 3.731 3.556 3.936 . 0 0 "[ . 1 . 2]" 1 2225 1 2 DT H6 2 100 ILE MD . . 4.800 2.581 2.426 2.817 . 0 0 "[ . 1 . 2]" 1 2226 1 4 DT M7 2 100 ILE MG . . 4.000 2.113 2.010 2.252 . 0 0 "[ . 1 . 2]" 1 2227 1 2 DT M7 2 100 ILE QG . . 5.100 2.234 2.076 2.584 . 0 0 "[ . 1 . 2]" 1 2228 1 3 DG Q2' 2 100 ILE MG . . 5.000 3.848 3.543 4.465 . 0 0 "[ . 1 . 2]" 1 2229 1 1 DC H3' 2 100 ILE MG . . 5.100 4.381 3.161 5.127 0.027 6 0 "[ . 1 . 2]" 1 2230 1 2 DT H6 2 100 ILE MG . . 5.100 4.737 4.519 5.010 . 0 0 "[ . 1 . 2]" 1 2231 1 4 DT H6 2 100 ILE MG . . 4.800 3.828 3.083 4.189 . 0 0 "[ . 1 . 2]" 1 2232 1 4 DT M7 2 100 ILE HB . . 4.500 3.348 3.072 3.561 . 0 0 "[ . 1 . 2]" 1 2233 1 7 DT M7 2 112 TYR HD1 . . 4.900 4.825 3.897 5.020 0.120 15 0 "[ . 1 . 2]" 1 2234 1 7 DT M7 2 108 VAL QG . . 4.700 3.074 3.039 3.176 . 0 0 "[ . 1 . 2]" 1 2235 1 6 DC H5 2 108 VAL QG . . 5.300 4.824 3.840 5.323 0.023 8 0 "[ . 1 . 2]" 1 2236 1 6 DC H1' 2 108 VAL QG . . 4.600 3.878 3.495 4.158 . 0 0 "[ . 1 . 2]" 1 2237 1 5 DG H1 2 101 THR MG . . 3.200 2.383 2.296 2.512 . 0 0 "[ . 1 . 2]" 1 2238 1 5 DG H1 2 101 THR HG1 . . 3.000 3.190 2.838 3.382 0.382 20 0 "[ . 1 . 2]" 1 2239 1 5 DG H1 2 58 ASP QB . . 4.000 5.609 5.476 5.842 1.842 19 20 [**********-*******+*] 1 2240 1 5 DG H1 2 101 THR HB . . 4.200 4.157 3.997 4.246 0.046 11 0 "[ . 1 . 2]" 1 2241 1 5 DG H1 2 97 TYR QE . . 3.500 3.830 3.259 4.157 0.657 14 3 "[ . 1 - +. *2]" 1 2242 1 5 DG H1 2 59 TRP HE3 . . 4.100 4.063 3.766 4.180 0.080 16 0 "[ . 1 . 2]" 1 2243 1 4 DT M7 1 5 DG H1 . . 3.500 2.698 2.392 3.700 0.200 20 0 "[ . 1 . 2]" 1 2244 1 4 DT H3 2 97 TYR QE . . 4.400 4.331 3.895 4.487 0.087 13 0 "[ . 1 . 2]" 1 2245 1 4 DT H3 2 55 SER QB . . 3.000 2.019 1.728 2.530 . 0 0 "[ . 1 . 2]" 1 2246 1 4 DT H3 2 55 SER H . . 4.700 4.696 4.493 4.762 0.062 4 0 "[ . 1 . 2]" 1 2247 1 4 DT H3 2 55 SER HG . . 4.000 3.204 2.218 3.929 . 0 0 "[ . 1 . 2]" 1 2248 1 3 DG H1 2 85 LYS H . . 5.400 3.783 3.326 4.106 . 0 0 "[ . 1 . 2]" 1 2249 1 3 DG H1 2 85 LYS QG . . 4.600 4.015 3.473 4.602 0.002 10 0 "[ . 1 . 2]" 1 2250 1 3 DG H1 2 85 LYS QD . . 5.200 4.726 3.570 5.281 0.081 7 0 "[ . 1 . 2]" 1 2251 1 3 DG H1 2 55 SER H . . 5.300 5.423 4.994 5.682 0.382 10 0 "[ . 1 . 2]" 1 2252 1 3 DG H1 2 54 ARG QD . . 5.100 3.840 3.210 4.655 . 0 0 "[ . 1 . 2]" 1 2253 1 3 DG H1 2 84 SER HG . . 4.400 3.990 3.300 4.466 0.066 3 0 "[ . 1 . 2]" 1 2254 1 3 DG H1 2 86 ALA MB . . 5.800 5.596 4.632 5.887 0.087 19 0 "[ . 1 . 2]" 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 104 _Distance_constraint_stats_list.Viol_count 2078 _Distance_constraint_stats_list.Viol_total 26570.844 _Distance_constraint_stats_list.Viol_max 1.409 _Distance_constraint_stats_list.Viol_rms 0.2693 _Distance_constraint_stats_list.Viol_average_all_restraints 0.6387 _Distance_constraint_stats_list.Viol_average_violations_only 0.6393 _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 2 1 THR 28.371 0.998 13 19 "[* **********+****-**]" 2 2 VAL 23.883 0.834 20 19 "[*******-**** ******+]" 2 3 VAL 32.157 1.043 3 20 [**+******-**********] 2 4 GLU 15.172 0.586 3 15 "[**+**** -*** *** *2]" 2 5 PHE 36.658 0.998 13 19 "[* **********+****-**]" 2 6 GLU 56.436 1.011 4 20 [***+***-************] 2 7 GLU 68.774 1.110 11 20 [*********-+*********] 2 8 LEU 44.705 0.935 11 20 [****-*****+*********] 2 9 ARG 18.879 0.517 20 1 "[ . 1 . +]" 2 10 LYS 54.737 1.011 4 20 [***+******-*********] 2 11 GLU 74.344 1.110 11 20 [****-*****+*********] 2 12 LEU 29.534 0.935 11 20 [****-*****+*********] 2 13 VAL 10.592 0.517 20 1 "[ . 1 . +]" 2 14 LYS 22.184 0.761 5 20 [****+***-***********] 2 15 ARG 37.727 1.076 20 20 [****-**************+] 2 21 VAL 35.354 1.118 11 20 [****-*****+*********] 2 23 LYS 14.423 0.623 19 19 "[************ ***-*+*]" 2 24 ILE 30.515 0.941 7 20 [******+*******-*****] 2 25 LYS 52.671 1.118 11 20 [********-*+*********] 2 26 GLU 38.523 1.409 15 20 [******-*******+*****] 2 27 GLU 14.423 0.623 19 19 "[************ ***-*+*]" 2 28 ILE 30.515 0.941 7 20 [******+*******-*****] 2 29 CYS 17.317 0.866 15 18 "[* ******-*****+****2]" 2 30 THR 38.523 1.409 15 20 [******-*******+*****] 2 35 LYS 22.725 1.016 18 18 "[ *************.*-+**]" 2 36 LEU 36.245 1.136 8 20 [*-*****+************] 2 37 ILE 22.698 1.041 15 20 [***********-**+*****] 2 38 LYS 26.194 1.011 3 16 "[ *+**** **** -.*****]" 2 39 GLU 22.725 1.016 18 18 "[ *************.*-+**]" 2 40 ILE 36.245 1.136 8 20 [*-*****+************] 2 41 ILE 22.698 1.041 15 20 [***********-**+*****] 2 42 CYS 26.194 1.011 3 16 "[ *+**** **** -.*****]" 2 54 ARG 29.083 1.066 12 20 [*-*********+********] 2 55 SER 27.716 0.975 13 20 [**********-*+*******] 2 56 ARG 13.268 0.590 5 18 "[*** +-****** *******]" 2 57 GLY 34.731 1.043 4 20 [***+******-*********] 2 58 ASP 42.583 1.066 12 20 [***********+****-***] 2 59 TRP 51.908 0.975 13 20 [**********-*+*******] 2 60 HIS 46.516 1.028 4 20 [***+*-**************] 2 61 VAL 65.797 1.043 4 20 [***+**************-*] 2 62 ILE 45.499 1.012 11 20 [**********+*****-***] 2 63 LEU 55.408 0.977 18 20 [****************-+**] 2 64 TYR 65.902 1.028 4 20 [***+**********-*****] 2 65 LEU 31.067 0.992 11 20 [**********+*******-*] 2 66 MET 31.999 1.012 11 20 [*-********+*********] 2 67 LYS 31.217 0.977 18 20 [******-**********+**] 2 68 HIS 32.653 0.999 4 20 [-**+****************] 2 73 PRO 18.997 0.785 4 18 "[***+****** ** -*****]" 2 74 ASP 33.643 1.021 12 20 [*-*********+********] 2 75 LYS 23.333 0.886 6 19 "[**-**+******* ******]" 2 77 LEU 18.997 0.785 4 18 "[***+****** ** -*****]" 2 78 GLU 33.643 1.021 12 20 [*-*********+********] 2 79 LEU 23.333 0.886 6 19 "[**-**+******* ******]" 2 93 ASN 33.271 1.074 8 20 [*******+**-*********] 2 94 THR 11.157 0.534 19 3 "[ * 1 .- +2]" 2 95 GLN 33.250 1.041 6 20 [*****+*********-****] 2 96 LYS 26.899 0.943 3 20 [*-+*****************] 2 97 TYR 49.040 1.074 8 20 [***-***+************] 2 98 PHE 20.812 0.534 19 3 "[ * 1 .- +2]" 2 99 VAL 62.078 1.041 6 20 [*****+************-*] 2 100 ILE 61.607 1.072 15 20 [*-************+*****] 2 101 THR 31.165 0.664 2 20 [*+*-****************] 2 102 LEU 19.473 0.476 1 0 "[ . 1 . 2]" 2 103 SER 55.000 0.920 11 20 [**********+-********] 2 104 LYS 56.928 1.072 15 20 [**************+**-**] 2 105 ALA 46.783 1.003 16 20 [**************-+****] 2 106 TRP 28.819 0.758 4 20 [***+***************-] 2 107 SER 57.599 0.990 2 20 [*+*********-********] 2 108 VAL 54.110 0.913 10 20 [*********+*******-**] 2 109 VAL 53.706 1.003 16 20 [********-******+****] 2 110 LYS 44.660 0.758 4 20 [***+**************-*] 2 111 LYS 31.427 0.990 2 20 [*+************-*****] 2 112 TYR 31.890 0.913 10 20 [**-******+**********] 2 113 LEU 22.319 0.654 4 20 [***+****-***********] 2 114 GLU 25.659 0.714 16 20 [***************+**-*] 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 2 6 GLU O 2 10 LYS N . . 2.400 3.338 3.226 3.411 1.011 4 20 [***+******-*********] 2 2 2 6 GLU O 2 10 LYS H . . 1.800 2.489 2.419 2.569 0.769 4 20 [***+******-*********] 2 3 2 5 PHE O 2 9 ARG N . . 2.400 2.792 2.761 2.825 0.425 13 0 "[ . 1 . 2]" 2 4 2 5 PHE O 2 9 ARG H . . 1.800 1.822 1.790 1.859 0.059 13 0 "[ . 1 . 2]" 2 5 2 4 GLU O 2 8 LEU N . . 2.400 2.928 2.862 2.986 0.586 3 15 "[**+**** -*** *** *2]" 2 6 2 4 GLU O 2 8 LEU H . . 1.800 2.031 1.962 2.094 0.294 3 0 "[ . 1 . 2]" 2 7 2 3 VAL O 2 7 GLU N . . 2.400 3.378 3.262 3.443 1.043 3 20 [**+******-**********] 2 8 2 3 VAL O 2 7 GLU H . . 1.800 2.430 2.311 2.484 0.684 3 20 [**+******-**********] 2 9 2 2 VAL O 2 6 GLU N . . 2.400 3.111 2.861 3.234 0.834 20 19 "[*********-** ******+]" 2 10 2 2 VAL O 2 6 GLU H . . 1.800 2.283 2.024 2.418 0.618 7 9 "[** * +-*1 * . **]" 2 11 2 1 THR O 2 5 PHE N . . 2.400 3.280 2.830 3.398 0.998 13 19 "[* *****-****+*******]" 2 12 2 1 THR O 2 5 PHE H . . 1.800 2.339 1.874 2.444 0.644 13 14 "[ **** *1* +****-**]" 2 13 2 11 GLU O 2 15 ARG N . . 2.400 3.422 3.303 3.476 1.076 20 20 [****-**************+] 2 14 2 11 GLU O 2 15 ARG H . . 1.800 2.664 2.513 2.696 0.896 6 20 [****-+**************] 2 15 2 10 LYS O 2 14 LYS N . . 2.400 3.097 3.045 3.161 0.761 5 20 [****+***-***********] 2 16 2 10 LYS O 2 14 LYS H . . 1.800 2.212 2.150 2.282 0.482 5 0 "[ . 1 . 2]" 2 17 2 9 ARG O 2 13 VAL N . . 2.400 2.826 2.781 2.917 0.517 20 1 "[ . 1 . +]" 2 18 2 9 ARG O 2 13 VAL H . . 1.800 1.904 1.846 1.983 0.183 20 0 "[ . 1 . 2]" 2 19 2 8 LEU O 2 12 LEU N . . 2.400 3.263 3.168 3.335 0.935 11 20 [******-***+*********] 2 20 2 8 LEU O 2 12 LEU H . . 1.800 2.414 2.305 2.467 0.667 19 20 [****-*************+*] 2 21 2 7 GLU O 2 11 GLU N . . 2.400 3.458 3.432 3.510 1.110 11 20 [**********+-********] 2 22 2 7 GLU O 2 11 GLU H . . 1.800 2.573 2.530 2.622 0.822 11 20 [****-*****+*********] 2 23 2 26 GLU O 2 30 THR N . . 2.400 3.454 3.223 3.809 1.409 15 20 [******-*******+*****] 2 24 2 26 GLU O 2 30 THR H . . 1.800 2.673 2.405 3.121 1.321 19 20 [******-***********+*] 2 25 2 25 LYS O 2 29 CYS N . . 2.400 2.990 2.849 3.266 0.866 15 18 "[* ******-*****+****2]" 2 26 2 25 LYS O 2 29 CYS H . . 1.800 2.076 1.969 2.396 0.596 15 1 "[ . 1 + 2]" 2 27 2 24 ILE O 2 28 ILE N . . 2.400 3.282 3.239 3.341 0.941 7 20 [******+*******-*****] 2 28 2 24 ILE O 2 28 ILE H . . 1.800 2.444 2.383 2.502 0.702 7 20 [******+*******-*****] 2 29 2 23 LYS O 2 27 GLU N . . 2.400 2.942 2.873 3.023 0.623 19 19 "[************ ***-*+*]" 2 30 2 23 LYS O 2 27 GLU H . . 1.800 1.979 1.897 2.058 0.258 19 0 "[ . 1 . 2]" 2 31 2 21 VAL O 2 25 LYS N . . 2.400 3.468 3.434 3.518 1.118 11 20 [****-*****+*********] 2 32 2 21 VAL O 2 25 LYS H . . 1.800 2.500 2.463 2.553 0.753 11 20 [****-*****+*********] 2 33 2 38 LYS O 2 42 CYS N . . 2.400 3.154 2.636 3.411 1.011 3 16 "[ *+**** **** -.*****]" 2 34 2 38 LYS O 2 42 CYS H . . 1.800 2.355 1.800 2.614 0.814 3 16 "[ *+**** **** -.*****]" 2 35 2 37 ILE O 2 41 ILE N . . 2.400 3.137 2.936 3.441 1.041 15 20 [***********-**+*****] 2 36 2 37 ILE O 2 41 ILE H . . 1.800 2.198 1.956 2.608 0.808 15 7 "[* . **1 * +* -]" 2 37 2 36 LEU O 2 40 ILE N . . 2.400 3.459 3.373 3.536 1.136 8 20 [*******+**********-*] 2 38 2 36 LEU O 2 40 ILE H . . 1.800 2.553 2.503 2.608 0.808 12 20 [*-*********+********] 2 39 2 35 LYS O 2 39 GLU N . . 2.400 3.145 2.799 3.416 1.016 18 18 "[ ******-******.**+**]" 2 40 2 35 LYS O 2 39 GLU H . . 1.800 2.191 1.852 2.466 0.666 4 6 "[ +. 1 * .*-* *]" 2 41 2 64 TYR O 2 68 HIS N . . 2.400 3.329 3.294 3.399 0.999 4 20 [***+*****-**********] 2 42 2 64 TYR O 2 68 HIS H . . 1.800 2.504 2.469 2.561 0.761 11 20 [-*********+*********] 2 43 2 63 LEU O 2 67 LYS N . . 2.400 3.315 3.232 3.377 0.977 18 20 [******-**********+**] 2 44 2 63 LEU O 2 67 LYS H . . 1.800 2.446 2.366 2.475 0.675 19 20 [******-***********+*] 2 45 2 62 ILE O 2 66 MET N . . 2.400 3.347 3.303 3.412 1.012 11 20 [**********+******-**] 2 46 2 62 ILE O 2 66 MET H . . 1.800 2.453 2.410 2.491 0.691 11 20 [*-********+*********] 2 47 2 61 VAL O 2 65 LEU N . . 2.400 3.336 3.259 3.392 0.992 11 20 [**********+*******-*] 2 48 2 61 VAL O 2 65 LEU H . . 1.800 2.417 2.331 2.471 0.671 11 20 [**********+*******-*] 2 49 2 60 HIS O 2 64 TYR N . . 2.400 3.360 3.254 3.428 1.028 4 20 [***+**********-*****] 2 50 2 60 HIS O 2 64 TYR H . . 1.800 2.503 2.441 2.546 0.746 4 20 [***+**********-*****] 2 51 2 59 TRP O 2 63 LEU N . . 2.400 3.175 3.120 3.248 0.848 17 20 [*-**************+***] 2 52 2 59 TRP O 2 63 LEU H . . 1.800 2.235 2.182 2.319 0.519 17 1 "[ . 1 . + 2]" 2 53 2 58 ASP O 2 62 ILE N . . 2.400 2.914 2.819 2.960 0.560 12 14 "[* *.*** **+*** -* *]" 2 54 2 58 ASP O 2 62 ILE H . . 1.800 1.961 1.867 2.004 0.204 12 0 "[ . 1 . 2]" 2 55 2 57 GLY O 2 61 VAL N . . 2.400 3.419 3.384 3.443 1.043 4 20 [***+**********-*****] 2 56 2 57 GLY O 2 61 VAL H . . 1.800 2.517 2.499 2.549 0.749 4 20 [***+******-*********] 2 57 2 56 ARG O 2 60 HIS N . . 2.400 2.931 2.821 2.990 0.590 5 18 "[*** +-****** *******]" 2 58 2 56 ARG O 2 60 HIS H . . 1.800 1.932 1.813 1.999 0.199 5 0 "[ . 1 . 2]" 2 59 2 55 SER O 2 59 TRP N . . 2.400 3.232 2.977 3.375 0.975 13 20 [************+*****-*] 2 60 2 55 SER O 2 59 TRP H . . 1.800 2.353 2.101 2.491 0.691 13 16 "[** *.*****-*+** ** *]" 2 61 2 54 ARG O 2 58 ASP N . . 2.400 3.308 3.010 3.466 1.066 12 20 [***********+-*******] 2 62 2 54 ARG O 2 58 ASP H . . 1.800 2.346 2.042 2.506 0.706 11 14 "[*- * ***1+* *.*****]" 2 63 2 75 LYS O 2 79 LEU N . . 2.400 3.114 2.884 3.286 0.886 6 19 "[*****+******* *****-]" 2 64 2 75 LYS O 2 79 LEU H . . 1.800 2.253 2.011 2.422 0.622 6 7 "[ *-**+* 1 . * 2]" 2 65 2 74 ASP O 2 78 GLU N . . 2.400 3.350 3.258 3.421 1.021 12 20 [*-*********+********] 2 66 2 74 ASP O 2 78 GLU H . . 1.800 2.532 2.440 2.590 0.790 12 20 [*-*********+********] 2 67 2 73 PRO O 2 77 LEU N . . 2.400 3.028 2.891 3.185 0.785 4 18 "[***+****** ** -*****]" 2 68 2 73 PRO O 2 77 LEU H . . 1.800 2.122 1.963 2.327 0.527 4 2 "[ +. 1 . -2]" 2 69 2 110 LYS O 2 114 GLU N . . 2.400 2.982 2.963 2.996 0.596 7 20 [******+***********-*] 2 70 2 110 LYS O 2 114 GLU H . . 1.800 2.501 2.486 2.514 0.714 16 20 [***********-***+****] 2 71 2 109 VAL O 2 113 LEU N . . 2.400 3.018 2.995 3.054 0.654 4 20 [***+*************-**] 2 72 2 109 VAL O 2 113 LEU H . . 1.800 2.297 2.254 2.348 0.548 4 8 "[ +* **-1* * *2]" 2 73 2 108 VAL O 2 112 TYR N . . 2.400 3.251 3.188 3.313 0.913 10 20 [**-******+**********] 2 74 2 108 VAL O 2 112 TYR H . . 1.800 2.544 2.476 2.605 0.805 16 20 [**-************+****] 2 75 2 107 SER O 2 111 LYS N . . 2.400 3.350 3.328 3.390 0.990 2 20 [*+************-*****] 2 76 2 107 SER O 2 111 LYS H . . 1.800 2.422 2.388 2.466 0.666 7 20 [******+*******-*****] 2 77 2 106 TRP O 2 110 LYS N . . 2.400 3.066 2.991 3.158 0.758 4 20 [***+***************-] 2 78 2 106 TRP O 2 110 LYS H . . 1.800 2.084 2.005 2.194 0.394 4 0 "[ . 1 . 2]" 2 79 2 105 ALA O 2 109 VAL N . . 2.400 3.327 3.243 3.403 1.003 16 20 [****-**********+****] 2 80 2 105 ALA O 2 109 VAL H . . 1.800 2.442 2.346 2.528 0.728 18 20 [****-************+**] 2 81 2 104 LYS O 2 108 VAL N . . 2.400 3.113 2.983 3.251 0.851 18 20 [****-************+**] 2 82 2 104 LYS O 2 108 VAL H . . 1.800 2.198 2.033 2.352 0.552 11 2 "[ . 1+ . - 2]" 2 83 2 103 SER O 2 107 SER N . . 2.400 3.190 3.118 3.320 0.920 11 20 [**********+******-**] 2 84 2 103 SER O 2 107 SER H . . 1.800 2.318 2.232 2.424 0.624 11 13 "[*** * * *+-**** *]" 2 85 2 102 LEU O 2 106 TRP N . . 2.400 2.815 2.790 2.838 0.438 14 0 "[ . 1 . 2]" 2 86 2 102 LEU O 2 106 TRP H . . 1.800 1.876 1.837 1.900 0.100 9 0 "[ . 1 . 2]" 2 87 2 101 THR O 2 105 ALA N . . 2.400 2.969 2.921 3.014 0.614 9 20 [********+*****-*****] 2 88 2 101 THR O 2 105 ALA H . . 1.800 2.001 1.934 2.052 0.252 11 0 "[ . 1 . 2]" 2 89 2 100 ILE O 2 104 LYS N . . 2.400 3.450 3.421 3.472 1.072 15 20 [*******-******+*****] 2 90 2 100 ILE O 2 104 LYS H . . 1.800 2.486 2.465 2.515 0.715 2 20 [*+*-****************] 2 91 2 99 VAL O 2 103 SER N . . 2.400 3.247 3.047 3.302 0.902 3 20 [*-+*****************] 2 92 2 99 VAL O 2 103 SER H . . 1.800 2.395 2.165 2.445 0.645 3 19 "[* +***************-*]" 2 93 2 98 PHE O 2 102 LEU N . . 2.400 2.836 2.811 2.876 0.476 1 0 "[ . 1 . 2]" 2 94 2 98 PHE O 2 102 LEU H . . 1.800 1.846 1.823 1.885 0.085 1 0 "[ . 1 . 2]" 2 95 2 97 TYR O 2 101 THR N . . 2.400 2.982 2.888 3.064 0.664 2 19 "[*+*-******** *******]" 2 96 2 97 TYR O 2 101 THR H . . 1.800 2.006 1.909 2.092 0.292 2 0 "[ . 1 . 2]" 2 97 2 96 LYS O 2 100 ILE N . . 2.400 3.226 3.081 3.343 0.943 3 20 [**+-****************] 2 98 2 96 LYS O 2 100 ILE H . . 1.800 2.319 2.166 2.438 0.638 3 11 "[*-+ . **** * *. ** 2]" 2 99 2 95 GLN O 2 99 VAL N . . 2.400 3.403 3.347 3.441 1.041 6 20 [*****+*********-****] 2 100 2 95 GLN O 2 99 VAL H . . 1.800 2.459 2.419 2.486 0.686 1 20 [+**************-****] 2 101 2 94 THR O 2 98 PHE N . . 2.400 2.865 2.816 2.934 0.534 19 3 "[ * 1 .- +2]" 2 102 2 94 THR O 2 98 PHE H . . 1.800 1.893 1.843 1.951 0.151 19 0 "[ . 1 . 2]" 2 103 2 93 ASN O 2 97 TYR N . . 2.400 3.384 3.270 3.474 1.074 8 20 [*******+**-*********] 2 104 2 93 ASN O 2 97 TYR H . . 1.800 2.480 2.363 2.534 0.734 9 20 [********+*-*********] 2 stop_ save_
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