NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
442508 | 2kcx | 16099 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kcx 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 937 _Distance_constraint_stats_list.Viol_count 186 _Distance_constraint_stats_list.Viol_total 143.227 _Distance_constraint_stats_list.Viol_max 0.195 _Distance_constraint_stats_list.Viol_rms 0.0051 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0004 _Distance_constraint_stats_list.Viol_average_violations_only 0.0385 _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 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 SER 0.340 0.138 8 0 "[ . 1 . 2]" 1 4 CYS 1.987 0.195 4 0 "[ . 1 . 2]" 1 5 ASP 0.142 0.082 1 0 "[ . 1 . 2]" 1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 VAL 1.193 0.173 1 0 "[ . 1 . 2]" 1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 CYS 0.111 0.036 17 0 "[ . 1 . 2]" 1 10 GLY 0.023 0.020 9 0 "[ . 1 . 2]" 1 11 PRO 0.002 0.002 9 0 "[ . 1 . 2]" 1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 LYS 1.184 0.136 12 0 "[ . 1 . 2]" 1 14 ALA 0.070 0.029 5 0 "[ . 1 . 2]" 1 15 CYS 0.671 0.195 4 0 "[ . 1 . 2]" 1 16 ARG 0.333 0.093 7 0 "[ . 1 . 2]" 1 17 MET 0.752 0.093 7 0 "[ . 1 . 2]" 1 18 LEU 0.501 0.086 5 0 "[ . 1 . 2]" 1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 GLY 0.052 0.021 12 0 "[ . 1 . 2]" 1 21 ARG 0.083 0.048 7 0 "[ . 1 . 2]" 1 22 PRO 0.287 0.057 2 0 "[ . 1 . 2]" 1 23 ARG 0.031 0.022 20 0 "[ . 1 . 2]" 1 24 CYS 0.234 0.054 17 0 "[ . 1 . 2]" 1 25 GLU 0.874 0.136 12 0 "[ . 1 . 2]" 1 26 CYS 0.039 0.025 9 0 "[ . 1 . 2]" 1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 PRO 0.084 0.046 13 0 "[ . 1 . 2]" 1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 CYS 0.165 0.101 8 0 "[ . 1 . 2]" 1 31 SER 0.010 0.010 15 0 "[ . 1 . 2]" 1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 LEU 0.495 0.111 15 0 "[ . 1 . 2]" 1 34 PRO 0.309 0.054 13 0 "[ . 1 . 2]" 1 35 ALA 0.137 0.064 16 0 "[ . 1 . 2]" 1 36 ARG 0.099 0.064 16 0 "[ . 1 . 2]" 1 37 LEU 0.430 0.054 13 0 "[ . 1 . 2]" 1 38 GLN 0.252 0.064 1 0 "[ . 1 . 2]" 1 39 VAL 0.227 0.069 11 0 "[ . 1 . 2]" 1 40 CYS 0.066 0.038 9 0 "[ . 1 . 2]" 1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 ASP 0.069 0.069 20 0 "[ . 1 . 2]" 1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 46 THR 0.006 0.006 9 0 "[ . 1 . 2]" 1 47 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 48 ARG 0.112 0.034 16 0 "[ . 1 . 2]" 1 49 ASP 0.060 0.054 13 0 "[ . 1 . 2]" 1 50 GLU 0.372 0.135 2 0 "[ . 1 . 2]" 1 51 CYS 0.297 0.135 2 0 "[ . 1 . 2]" 1 52 GLU 0.043 0.025 7 0 "[ . 1 . 2]" 1 53 LEU 0.146 0.052 15 0 "[ . 1 . 2]" 1 54 ARG 0.250 0.111 15 0 "[ . 1 . 2]" 1 55 ALA 0.085 0.046 13 0 "[ . 1 . 2]" 1 56 ALA 0.070 0.060 3 0 "[ . 1 . 2]" 1 57 ARG 0.215 0.062 3 0 "[ . 1 . 2]" 1 58 CYS 0.025 0.025 9 0 "[ . 1 . 2]" 1 59 ARG 0.070 0.060 3 0 "[ . 1 . 2]" 1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 HIS 0.119 0.062 3 0 "[ . 1 . 2]" 1 62 PRO 0.096 0.034 1 0 "[ . 1 . 2]" 1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 LEU 0.079 0.069 20 0 "[ . 1 . 2]" 1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 VAL 0.022 0.016 2 0 "[ . 1 . 2]" 1 67 MET 0.038 0.038 9 0 "[ . 1 . 2]" 1 68 TYR 0.072 0.047 1 0 "[ . 1 . 2]" 1 69 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 70 GLY 0.034 0.019 1 0 "[ . 1 . 2]" 1 71 ARG 0.185 0.064 1 0 "[ . 1 . 2]" 1 72 CYS 0.220 0.083 5 0 "[ . 1 . 2]" 1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 74 LYS 0.220 0.083 5 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ASP HA 1 3 SER H 3.250 . 3.580 2.269 2.137 2.547 . 0 0 "[ . 1 . 2]" 1 2 1 2 ASP QB 1 3 SER H 3.760 . 4.140 3.217 2.137 4.028 . 0 0 "[ . 1 . 2]" 1 3 1 2 ASP HB2 1 3 SER H 4.280 . 4.710 3.966 2.656 4.639 . 0 0 "[ . 1 . 2]" 1 4 1 2 ASP HB3 1 3 SER H 4.280 . 4.710 3.563 2.164 4.421 . 0 0 "[ . 1 . 2]" 1 5 1 3 SER H 1 3 SER HB2 4.130 . 4.540 3.049 2.475 3.940 . 0 0 "[ . 1 . 2]" 1 6 1 3 SER H 1 3 SER QB 3.620 . 3.980 2.707 2.437 3.181 . 0 0 "[ . 1 . 2]" 1 7 1 3 SER H 1 3 SER HB3 4.130 . 4.540 3.453 2.647 3.944 . 0 0 "[ . 1 . 2]" 1 8 1 3 SER H 1 4 CYS H 4.650 . 5.120 4.422 4.109 4.620 . 0 0 "[ . 1 . 2]" 1 9 1 3 SER HA 1 4 CYS H 3.030 . 3.330 2.330 2.154 2.785 . 0 0 "[ . 1 . 2]" 1 10 1 3 SER QB 1 4 CYS H 3.180 . 3.500 2.917 1.829 3.638 0.138 8 0 "[ . 1 . 2]" 1 11 1 3 SER QB 1 5 ASP H 5.200 . 5.720 5.332 4.777 5.802 0.082 1 0 "[ . 1 . 2]" 1 12 1 3 SER HB2 1 4 CYS H 3.960 . 4.360 3.698 2.635 4.327 . 0 0 "[ . 1 . 2]" 1 13 1 3 SER HB3 1 4 CYS H 3.960 . 4.360 3.287 1.845 4.400 0.040 4 0 "[ . 1 . 2]" 1 14 1 4 CYS H 1 4 CYS HB2 3.910 . 4.300 2.740 2.420 3.838 . 0 0 "[ . 1 . 2]" 1 15 1 4 CYS H 1 4 CYS QB 3.080 . 3.390 2.627 2.388 3.176 . 0 0 "[ . 1 . 2]" 1 16 1 4 CYS H 1 4 CYS HB3 3.910 . 4.300 3.684 3.070 3.894 . 0 0 "[ . 1 . 2]" 1 17 1 4 CYS H 1 5 ASP H 4.350 . 4.790 4.430 4.272 4.531 . 0 0 "[ . 1 . 2]" 1 18 1 4 CYS HA 1 7 VAL H 5.350 . 5.890 4.847 4.564 5.300 . 0 0 "[ . 1 . 2]" 1 19 1 4 CYS HA 1 7 VAL HB 4.420 . 4.860 4.210 3.756 4.642 . 0 0 "[ . 1 . 2]" 1 20 1 4 CYS HA 1 7 VAL MG2 3.610 . 3.970 3.985 3.669 4.143 0.173 1 0 "[ . 1 . 2]" 1 21 1 4 CYS HA 1 15 CYS QB 4.330 . 4.760 4.255 3.120 4.955 0.195 4 0 "[ . 1 . 2]" 1 22 1 4 CYS HA 1 22 PRO QG 4.570 . 5.030 3.670 2.139 5.079 0.049 12 0 "[ . 1 . 2]" 1 23 1 4 CYS QB 1 5 ASP H 4.270 . 4.700 3.137 2.176 3.289 . 0 0 "[ . 1 . 2]" 1 24 1 4 CYS QB 1 7 VAL MG2 4.360 . 4.800 2.662 2.013 3.171 . 0 0 "[ . 1 . 2]" 1 25 1 4 CYS QB 1 15 CYS H 5.340 . 5.870 5.225 4.752 5.686 . 0 0 "[ . 1 . 2]" 1 26 1 4 CYS QB 1 15 CYS QB 3.450 . 3.790 2.874 1.785 3.294 . 0 0 "[ . 1 . 2]" 1 27 1 5 ASP H 1 5 ASP HB2 3.620 . 3.980 2.635 2.344 3.599 . 0 0 "[ . 1 . 2]" 1 28 1 5 ASP H 1 5 ASP QB 2.960 . 3.260 2.369 2.200 2.789 . 0 0 "[ . 1 . 2]" 1 29 1 5 ASP H 1 5 ASP HB3 3.620 . 3.980 2.920 2.360 3.649 . 0 0 "[ . 1 . 2]" 1 30 1 5 ASP H 1 6 GLY H 4.680 . 5.150 4.413 4.367 4.514 . 0 0 "[ . 1 . 2]" 1 31 1 5 ASP H 1 7 VAL MG2 4.770 . 5.250 3.384 3.113 3.798 . 0 0 "[ . 1 . 2]" 1 32 1 5 ASP H 1 22 PRO HB3 4.700 . 5.170 3.527 2.577 4.389 . 0 0 "[ . 1 . 2]" 1 33 1 5 ASP HA 1 6 GLY H 3.090 . 3.400 2.176 2.144 2.203 . 0 0 "[ . 1 . 2]" 1 34 1 5 ASP HA 1 6 GLY HA2 4.780 . 5.260 4.410 4.379 4.436 . 0 0 "[ . 1 . 2]" 1 35 1 5 ASP HA 1 6 GLY HA3 4.780 . 5.260 4.396 4.347 4.428 . 0 0 "[ . 1 . 2]" 1 36 1 5 ASP HA 1 7 VAL H 4.270 . 4.700 3.903 3.508 4.140 . 0 0 "[ . 1 . 2]" 1 37 1 5 ASP QB 1 6 GLY H 3.940 . 4.330 3.736 3.434 3.937 . 0 0 "[ . 1 . 2]" 1 38 1 5 ASP HB2 1 6 GLY H 4.620 . 5.080 4.355 3.663 4.511 . 0 0 "[ . 1 . 2]" 1 39 1 5 ASP HB3 1 6 GLY H 4.620 . 5.080 4.113 3.596 4.454 . 0 0 "[ . 1 . 2]" 1 40 1 6 GLY H 1 7 VAL H 3.650 . 4.020 3.002 2.727 3.339 . 0 0 "[ . 1 . 2]" 1 41 1 6 GLY QA 1 7 VAL MG1 5.340 . 5.870 5.273 5.128 5.326 . 0 0 "[ . 1 . 2]" 1 42 1 7 VAL H 1 7 VAL HB 3.080 . 3.390 2.659 2.540 2.858 . 0 0 "[ . 1 . 2]" 1 43 1 7 VAL H 1 7 VAL MG1 3.870 . 4.260 3.823 3.755 3.895 . 0 0 "[ . 1 . 2]" 1 44 1 7 VAL H 1 7 VAL MG2 3.060 . 3.370 2.214 1.796 2.646 . 0 0 "[ . 1 . 2]" 1 45 1 7 VAL H 1 8 GLU HA 5.500 . 6.050 5.235 4.885 5.556 . 0 0 "[ . 1 . 2]" 1 46 1 7 VAL HA 1 7 VAL MG1 3.160 . 3.480 2.355 2.262 2.449 . 0 0 "[ . 1 . 2]" 1 47 1 7 VAL HA 1 7 VAL MG2 3.110 . 3.420 2.478 2.360 2.636 . 0 0 "[ . 1 . 2]" 1 48 1 7 VAL HA 1 8 GLU H 2.770 . 3.050 2.192 2.151 2.270 . 0 0 "[ . 1 . 2]" 1 49 1 7 VAL HA 1 8 GLU QB 4.690 . 5.160 4.373 4.057 4.538 . 0 0 "[ . 1 . 2]" 1 50 1 7 VAL HB 1 8 GLU H 4.400 . 4.840 4.108 3.763 4.351 . 0 0 "[ . 1 . 2]" 1 51 1 7 VAL HB 1 8 GLU HA 5.150 . 5.670 4.853 4.553 5.125 . 0 0 "[ . 1 . 2]" 1 52 1 7 VAL HB 1 15 CYS HB2 4.530 . 4.980 3.935 3.269 5.024 0.044 18 0 "[ . 1 . 2]" 1 53 1 7 VAL HB 1 15 CYS QB 3.750 . 4.130 3.455 3.045 4.049 . 0 0 "[ . 1 . 2]" 1 54 1 7 VAL HB 1 15 CYS HB3 4.530 . 4.980 3.898 3.384 4.709 . 0 0 "[ . 1 . 2]" 1 55 1 7 VAL MG1 1 8 GLU H 3.460 . 3.810 2.693 2.227 3.238 . 0 0 "[ . 1 . 2]" 1 56 1 7 VAL MG1 1 8 GLU HA 4.600 . 5.060 3.963 3.617 4.172 . 0 0 "[ . 1 . 2]" 1 57 1 7 VAL MG1 1 8 GLU QB 5.340 . 5.870 4.313 3.795 4.720 . 0 0 "[ . 1 . 2]" 1 58 1 7 VAL MG1 1 15 CYS HB2 4.270 . 4.700 3.311 2.362 4.706 0.006 18 0 "[ . 1 . 2]" 1 59 1 7 VAL MG1 1 15 CYS QB 3.480 . 3.830 2.771 1.864 3.632 . 0 0 "[ . 1 . 2]" 1 60 1 7 VAL MG1 1 15 CYS HB3 4.270 . 4.700 3.088 1.951 4.060 . 0 0 "[ . 1 . 2]" 1 61 1 7 VAL MG1 1 22 PRO HB2 4.250 . 4.680 3.598 2.946 4.206 . 0 0 "[ . 1 . 2]" 1 62 1 7 VAL MG1 1 22 PRO HB3 5.140 . 5.650 4.998 3.964 5.693 0.043 6 0 "[ . 1 . 2]" 1 63 1 7 VAL MG1 1 22 PRO QG 4.560 . 5.020 4.168 3.499 4.782 . 0 0 "[ . 1 . 2]" 1 64 1 7 VAL MG2 1 8 GLU H 4.600 . 5.060 4.149 3.912 4.339 . 0 0 "[ . 1 . 2]" 1 65 1 7 VAL MG2 1 22 PRO HA 4.950 . 5.440 4.527 4.182 5.377 . 0 0 "[ . 1 . 2]" 1 66 1 7 VAL MG2 1 22 PRO HB2 3.530 . 3.880 2.312 1.652 3.310 . 0 0 "[ . 1 . 2]" 1 67 1 7 VAL MG2 1 22 PRO HB3 3.840 . 4.220 3.575 2.994 4.238 0.018 8 0 "[ . 1 . 2]" 1 68 1 7 VAL MG2 1 22 PRO HG2 4.000 . 4.400 2.379 1.749 2.777 . 0 0 "[ . 1 . 2]" 1 69 1 7 VAL MG2 1 22 PRO QG 3.190 . 3.510 2.283 1.733 2.648 . 0 0 "[ . 1 . 2]" 1 70 1 7 VAL MG2 1 22 PRO HG3 4.000 . 4.400 3.126 2.550 3.862 . 0 0 "[ . 1 . 2]" 1 71 1 8 GLU H 1 8 GLU HB2 3.710 . 4.080 2.957 2.357 3.753 . 0 0 "[ . 1 . 2]" 1 72 1 8 GLU H 1 8 GLU QB 3.130 . 3.440 2.557 2.239 2.996 . 0 0 "[ . 1 . 2]" 1 73 1 8 GLU H 1 8 GLU HB3 3.710 . 4.080 3.189 2.348 3.714 . 0 0 "[ . 1 . 2]" 1 74 1 8 GLU H 1 8 GLU HG2 5.350 . 5.890 3.323 1.907 4.630 . 0 0 "[ . 1 . 2]" 1 75 1 8 GLU H 1 8 GLU QG 4.590 . 5.050 2.861 1.878 4.200 . 0 0 "[ . 1 . 2]" 1 76 1 8 GLU H 1 8 GLU HG3 5.350 . 5.890 3.532 2.623 4.840 . 0 0 "[ . 1 . 2]" 1 77 1 8 GLU H 1 9 CYS H 4.770 . 5.250 4.271 4.159 4.355 . 0 0 "[ . 1 . 2]" 1 78 1 8 GLU HA 1 8 GLU QG 3.680 . 4.050 2.896 2.424 3.552 . 0 0 "[ . 1 . 2]" 1 79 1 8 GLU HA 1 9 CYS H 3.300 . 3.630 2.173 2.127 2.211 . 0 0 "[ . 1 . 2]" 1 80 1 9 CYS H 1 9 CYS HB3 4.130 . 4.540 3.902 3.813 3.964 . 0 0 "[ . 1 . 2]" 1 81 1 9 CYS H 1 10 GLY H 4.550 . 5.010 4.372 4.279 4.461 . 0 0 "[ . 1 . 2]" 1 82 1 9 CYS HA 1 10 GLY H 3.130 . 3.440 2.362 2.173 2.633 . 0 0 "[ . 1 . 2]" 1 83 1 9 CYS HA 1 13 LYS H 4.940 . 5.430 4.766 3.958 5.435 0.005 18 0 "[ . 1 . 2]" 1 84 1 9 CYS HA 1 13 LYS QE 4.130 . 4.540 3.199 1.896 4.541 0.001 17 0 "[ . 1 . 2]" 1 85 1 9 CYS HB2 1 10 GLY H 4.310 . 4.740 3.774 3.164 4.188 . 0 0 "[ . 1 . 2]" 1 86 1 9 CYS HB2 1 13 LYS HB2 4.430 . 4.870 4.553 4.174 4.906 0.036 17 0 "[ . 1 . 2]" 1 87 1 9 CYS HB2 1 14 ALA H 5.360 . 5.900 5.535 4.790 5.929 0.029 5 0 "[ . 1 . 2]" 1 88 1 9 CYS HB2 1 14 ALA HA 3.930 . 4.320 3.801 3.212 4.336 0.016 12 0 "[ . 1 . 2]" 1 89 1 9 CYS HB3 1 10 GLY H 4.290 . 4.720 2.671 1.967 3.073 . 0 0 "[ . 1 . 2]" 1 90 1 9 CYS HB3 1 13 LYS HA 4.620 . 5.080 4.629 4.114 5.077 . 0 0 "[ . 1 . 2]" 1 91 1 9 CYS HB3 1 13 LYS HB2 3.570 . 3.930 2.939 2.491 3.542 . 0 0 "[ . 1 . 2]" 1 92 1 9 CYS HB3 1 13 LYS HB3 4.390 . 4.830 3.128 2.348 3.836 . 0 0 "[ . 1 . 2]" 1 93 1 9 CYS HB3 1 13 LYS HG3 5.500 . 6.050 5.303 4.786 5.846 . 0 0 "[ . 1 . 2]" 1 94 1 9 CYS HB3 1 14 ALA H 4.550 . 5.010 4.259 3.667 4.742 . 0 0 "[ . 1 . 2]" 1 95 1 9 CYS HB3 1 14 ALA HA 3.940 . 4.330 3.177 2.626 3.720 . 0 0 "[ . 1 . 2]" 1 96 1 10 GLY H 1 11 PRO HD2 4.620 . 5.080 3.139 2.121 4.219 . 0 0 "[ . 1 . 2]" 1 97 1 10 GLY H 1 11 PRO QD 4.000 . 4.400 3.008 2.039 3.870 . 0 0 "[ . 1 . 2]" 1 98 1 10 GLY H 1 11 PRO HD3 4.620 . 5.080 4.020 2.641 4.805 . 0 0 "[ . 1 . 2]" 1 99 1 10 GLY H 1 11 PRO QG 5.190 . 5.710 4.706 3.575 5.712 0.002 9 0 "[ . 1 . 2]" 1 100 1 10 GLY H 1 14 ALA HA 4.770 . 5.250 4.379 3.234 5.270 0.020 9 0 "[ . 1 . 2]" 1 101 1 10 GLY HA2 1 11 PRO QD 3.550 . 3.900 3.398 2.838 3.539 . 0 0 "[ . 1 . 2]" 1 102 1 10 GLY HA3 1 11 PRO HD2 3.280 . 3.610 2.715 2.244 3.548 . 0 0 "[ . 1 . 2]" 1 103 1 10 GLY HA3 1 11 PRO QD 2.860 . 3.150 2.107 1.796 2.399 . 0 0 "[ . 1 . 2]" 1 104 1 10 GLY HA3 1 11 PRO HD3 3.280 . 3.610 2.258 1.816 2.674 . 0 0 "[ . 1 . 2]" 1 105 1 11 PRO HA 1 12 GLY H 3.510 . 3.860 2.565 2.179 3.606 . 0 0 "[ . 1 . 2]" 1 106 1 11 PRO HA 1 12 GLY HA2 5.310 . 5.840 4.475 4.384 4.742 . 0 0 "[ . 1 . 2]" 1 107 1 11 PRO HA 1 12 GLY HA3 5.310 . 5.840 4.596 4.316 5.387 . 0 0 "[ . 1 . 2]" 1 108 1 11 PRO HA 1 13 LYS H 5.200 . 5.720 4.251 3.850 5.281 . 0 0 "[ . 1 . 2]" 1 109 1 12 GLY H 1 13 LYS H 3.990 . 4.390 2.665 2.274 3.472 . 0 0 "[ . 1 . 2]" 1 110 1 12 GLY HA2 1 13 LYS HA 4.610 . 5.070 4.511 4.423 4.591 . 0 0 "[ . 1 . 2]" 1 111 1 12 GLY HA3 1 13 LYS HA 4.610 . 5.070 4.591 4.451 4.676 . 0 0 "[ . 1 . 2]" 1 112 1 13 LYS H 1 13 LYS HB2 3.540 . 3.890 2.748 2.631 2.889 . 0 0 "[ . 1 . 2]" 1 113 1 13 LYS H 1 13 LYS HE2 5.500 . 6.050 4.706 4.355 5.279 . 0 0 "[ . 1 . 2]" 1 114 1 13 LYS H 1 13 LYS HE3 5.500 . 6.050 4.593 4.274 5.779 . 0 0 "[ . 1 . 2]" 1 115 1 13 LYS H 1 13 LYS HG2 4.690 . 5.160 4.236 3.910 4.518 . 0 0 "[ . 1 . 2]" 1 116 1 13 LYS H 1 13 LYS HG3 3.710 . 4.080 3.325 2.990 3.608 . 0 0 "[ . 1 . 2]" 1 117 1 13 LYS H 1 26 CYS HA 5.500 . 6.050 4.973 4.500 5.601 . 0 0 "[ . 1 . 2]" 1 118 1 13 LYS H 1 27 ALA H 5.480 . 6.030 4.175 3.718 4.465 . 0 0 "[ . 1 . 2]" 1 119 1 13 LYS HA 1 13 LYS HD2 4.690 . 5.160 4.342 4.026 4.439 . 0 0 "[ . 1 . 2]" 1 120 1 13 LYS HA 1 13 LYS HG2 3.810 . 4.190 2.530 2.435 2.624 . 0 0 "[ . 1 . 2]" 1 121 1 13 LYS HA 1 13 LYS HG3 3.420 . 3.760 3.073 2.826 3.414 . 0 0 "[ . 1 . 2]" 1 122 1 13 LYS HA 1 14 ALA H 3.120 . 3.430 2.195 2.146 2.308 . 0 0 "[ . 1 . 2]" 1 123 1 13 LYS HA 1 14 ALA MB 4.360 . 4.800 4.000 3.932 4.057 . 0 0 "[ . 1 . 2]" 1 124 1 13 LYS HA 1 26 CYS HA 3.730 . 4.100 2.729 2.187 3.337 . 0 0 "[ . 1 . 2]" 1 125 1 13 LYS HA 1 27 ALA H 3.460 . 3.810 2.284 1.939 2.870 . 0 0 "[ . 1 . 2]" 1 126 1 13 LYS HA 1 27 ALA MB 4.120 . 4.530 3.050 2.477 3.813 . 0 0 "[ . 1 . 2]" 1 127 1 13 LYS HB2 1 13 LYS HD2 3.490 . 3.840 3.108 2.934 3.415 . 0 0 "[ . 1 . 2]" 1 128 1 13 LYS HB2 1 13 LYS HE2 4.200 . 4.620 2.869 2.035 3.093 . 0 0 "[ . 1 . 2]" 1 129 1 13 LYS HB2 1 13 LYS QE 3.690 . 4.060 1.975 1.831 2.239 . 0 0 "[ . 1 . 2]" 1 130 1 13 LYS HB2 1 13 LYS HE3 4.200 . 4.620 2.090 1.854 3.641 . 0 0 "[ . 1 . 2]" 1 131 1 13 LYS HB2 1 14 ALA H 4.200 . 4.620 4.097 3.824 4.227 . 0 0 "[ . 1 . 2]" 1 132 1 13 LYS HB3 1 13 LYS HE2 4.440 . 4.880 3.892 2.901 4.168 . 0 0 "[ . 1 . 2]" 1 133 1 13 LYS HB3 1 13 LYS QE 3.790 . 4.170 2.769 2.347 3.056 . 0 0 "[ . 1 . 2]" 1 134 1 13 LYS HB3 1 13 LYS HE3 4.440 . 4.880 2.890 2.379 4.133 . 0 0 "[ . 1 . 2]" 1 135 1 13 LYS HB3 1 14 ALA H 4.170 . 4.590 3.027 2.536 3.153 . 0 0 "[ . 1 . 2]" 1 136 1 13 LYS HB3 1 24 CYS HB3 4.760 . 5.240 2.547 1.795 4.258 . 0 0 "[ . 1 . 2]" 1 137 1 13 LYS HB3 1 25 GLU H 4.500 . 4.950 3.698 3.228 4.558 . 0 0 "[ . 1 . 2]" 1 138 1 13 LYS HD2 1 24 CYS HB2 4.540 . 4.990 3.629 2.704 4.535 . 0 0 "[ . 1 . 2]" 1 139 1 13 LYS HD2 1 24 CYS HB3 3.500 . 3.850 2.982 2.432 3.630 . 0 0 "[ . 1 . 2]" 1 140 1 13 LYS HD2 1 26 CYS HA 5.080 . 5.590 4.952 4.019 5.605 0.015 12 0 "[ . 1 . 2]" 1 141 1 13 LYS HD3 1 24 CYS HB3 4.380 . 4.820 4.586 3.935 4.874 0.054 17 0 "[ . 1 . 2]" 1 142 1 13 LYS QE 1 13 LYS HG3 3.700 . 4.070 2.471 2.345 2.956 . 0 0 "[ . 1 . 2]" 1 143 1 13 LYS QE 1 14 ALA H 5.340 . 5.870 5.436 5.102 5.713 . 0 0 "[ . 1 . 2]" 1 144 1 13 LYS HG2 1 25 GLU H 4.650 . 5.120 4.671 4.405 5.026 . 0 0 "[ . 1 . 2]" 1 145 1 13 LYS HG2 1 26 CYS HA 3.600 . 3.960 2.635 2.185 3.332 . 0 0 "[ . 1 . 2]" 1 146 1 13 LYS HG2 1 27 ALA H 4.490 . 4.940 3.870 3.337 4.350 . 0 0 "[ . 1 . 2]" 1 147 1 13 LYS HG3 1 24 CYS HB3 5.500 . 6.050 5.015 4.400 6.095 0.045 10 0 "[ . 1 . 2]" 1 148 1 13 LYS HG3 1 25 GLU H 5.500 . 6.050 6.087 5.959 6.186 0.136 12 0 "[ . 1 . 2]" 1 149 1 13 LYS HG3 1 26 CYS HA 4.040 . 4.440 3.635 3.068 4.343 . 0 0 "[ . 1 . 2]" 1 150 1 13 LYS HG3 1 27 ALA H 4.940 . 5.430 4.437 3.995 4.789 . 0 0 "[ . 1 . 2]" 1 151 1 14 ALA H 1 14 ALA MB 3.230 . 3.550 2.473 2.383 2.680 . 0 0 "[ . 1 . 2]" 1 152 1 14 ALA H 1 26 CYS HA 5.500 . 6.050 4.266 3.770 5.087 . 0 0 "[ . 1 . 2]" 1 153 1 14 ALA H 1 27 ALA MB 4.050 . 4.460 2.673 1.984 3.973 . 0 0 "[ . 1 . 2]" 1 154 1 14 ALA HA 1 15 CYS H 2.910 . 3.200 2.262 2.192 2.367 . 0 0 "[ . 1 . 2]" 1 155 1 14 ALA HA 1 15 CYS QB 5.340 . 5.870 4.303 4.062 4.558 . 0 0 "[ . 1 . 2]" 1 156 1 14 ALA MB 1 15 CYS H 3.340 . 3.670 2.863 2.553 3.027 . 0 0 "[ . 1 . 2]" 1 157 1 14 ALA MB 1 27 ALA H 5.410 . 5.950 4.420 3.989 4.945 . 0 0 "[ . 1 . 2]" 1 158 1 14 ALA MB 1 27 ALA MB 3.180 . 3.500 2.243 1.948 3.459 . 0 0 "[ . 1 . 2]" 1 159 1 15 CYS H 1 15 CYS HB2 3.790 . 4.170 3.539 2.588 3.828 . 0 0 "[ . 1 . 2]" 1 160 1 15 CYS H 1 15 CYS QB 3.150 . 3.470 2.760 2.414 2.924 . 0 0 "[ . 1 . 2]" 1 161 1 15 CYS H 1 15 CYS HB3 3.790 . 4.170 2.934 2.587 3.704 . 0 0 "[ . 1 . 2]" 1 162 1 15 CYS HA 1 16 ARG H 3.010 . 3.310 2.162 2.108 2.246 . 0 0 "[ . 1 . 2]" 1 163 1 15 CYS HA 1 16 ARG QB 4.880 . 5.370 4.129 3.757 4.399 . 0 0 "[ . 1 . 2]" 1 164 1 15 CYS QB 1 16 ARG H 4.230 . 4.650 3.178 2.695 3.614 . 0 0 "[ . 1 . 2]" 1 165 1 15 CYS HB2 1 16 ARG H 4.850 . 5.330 3.388 2.746 4.172 . 0 0 "[ . 1 . 2]" 1 166 1 15 CYS HB3 1 16 ARG H 4.850 . 5.330 4.090 3.318 4.348 . 0 0 "[ . 1 . 2]" 1 167 1 16 ARG H 1 16 ARG HB2 3.970 . 4.370 3.156 2.484 3.873 . 0 0 "[ . 1 . 2]" 1 168 1 16 ARG H 1 16 ARG HB3 3.970 . 4.370 3.037 2.407 3.809 . 0 0 "[ . 1 . 2]" 1 169 1 16 ARG H 1 16 ARG HG2 5.500 . 6.050 3.972 1.936 4.917 . 0 0 "[ . 1 . 2]" 1 170 1 16 ARG H 1 16 ARG QG 4.740 . 5.210 3.552 1.926 4.190 . 0 0 "[ . 1 . 2]" 1 171 1 16 ARG H 1 16 ARG HG3 5.500 . 6.050 4.241 3.228 4.780 . 0 0 "[ . 1 . 2]" 1 172 1 16 ARG H 1 22 PRO HA 5.360 . 5.900 4.124 3.521 4.671 . 0 0 "[ . 1 . 2]" 1 173 1 16 ARG H 1 23 ARG H 3.540 . 3.890 3.017 2.516 3.811 . 0 0 "[ . 1 . 2]" 1 174 1 16 ARG H 1 24 CYS H 5.500 . 6.050 5.001 4.693 5.227 . 0 0 "[ . 1 . 2]" 1 175 1 16 ARG HA 1 16 ARG QG 3.710 . 4.080 2.776 2.366 3.363 . 0 0 "[ . 1 . 2]" 1 176 1 16 ARG HA 1 17 MET H 2.860 . 3.150 2.319 2.182 2.451 . 0 0 "[ . 1 . 2]" 1 177 1 16 ARG QB 1 16 ARG QD 3.310 . 3.640 2.373 2.144 2.780 . 0 0 "[ . 1 . 2]" 1 178 1 16 ARG QB 1 17 MET H 3.590 . 3.950 3.168 2.388 3.839 . 0 0 "[ . 1 . 2]" 1 179 1 16 ARG QB 1 18 LEU QD 3.240 . 3.560 2.733 1.986 3.583 0.023 17 0 "[ . 1 . 2]" 1 180 1 16 ARG HB2 1 17 MET H 4.090 . 4.500 3.754 2.417 4.278 . 0 0 "[ . 1 . 2]" 1 181 1 16 ARG HB3 1 17 MET H 4.090 . 4.500 3.649 2.441 4.342 . 0 0 "[ . 1 . 2]" 1 182 1 16 ARG QD 1 18 LEU QD 3.970 . 4.370 3.306 2.083 4.407 0.037 8 0 "[ . 1 . 2]" 1 183 1 16 ARG QG 1 17 MET H 3.900 . 4.290 3.039 1.991 4.383 0.093 7 0 "[ . 1 . 2]" 1 184 1 16 ARG QG 1 18 LEU QD 3.280 . 3.610 2.667 1.951 3.676 0.066 16 0 "[ . 1 . 2]" 1 185 1 16 ARG HG2 1 17 MET H 4.610 . 5.070 3.840 2.083 5.006 . 0 0 "[ . 1 . 2]" 1 186 1 16 ARG HG3 1 17 MET H 4.610 . 5.070 3.328 2.127 5.049 . 0 0 "[ . 1 . 2]" 1 187 1 17 MET H 1 17 MET HB2 3.220 . 3.540 2.467 2.371 2.546 . 0 0 "[ . 1 . 2]" 1 188 1 17 MET H 1 17 MET HB3 3.890 . 4.280 3.627 3.602 3.660 . 0 0 "[ . 1 . 2]" 1 189 1 17 MET H 1 17 MET ME 4.330 . 4.760 4.305 3.320 4.814 0.054 7 0 "[ . 1 . 2]" 1 190 1 17 MET H 1 17 MET HG2 3.880 . 4.270 2.783 2.286 3.589 . 0 0 "[ . 1 . 2]" 1 191 1 17 MET H 1 17 MET QG 3.210 . 3.530 2.447 2.266 2.641 . 0 0 "[ . 1 . 2]" 1 192 1 17 MET H 1 17 MET HG3 3.880 . 4.270 3.269 2.400 3.916 . 0 0 "[ . 1 . 2]" 1 193 1 17 MET HA 1 17 MET ME 3.340 . 3.670 2.583 1.633 3.704 0.034 17 0 "[ . 1 . 2]" 1 194 1 17 MET HA 1 18 LEU H 2.950 . 3.250 2.180 2.128 2.232 . 0 0 "[ . 1 . 2]" 1 195 1 17 MET HA 1 23 ARG H 4.620 . 5.080 3.654 2.876 4.269 . 0 0 "[ . 1 . 2]" 1 196 1 17 MET HB2 1 17 MET ME 3.880 . 4.270 3.475 3.016 3.800 . 0 0 "[ . 1 . 2]" 1 197 1 17 MET HB2 1 18 LEU H 4.950 . 5.440 4.429 4.270 4.510 . 0 0 "[ . 1 . 2]" 1 198 1 17 MET HB3 1 18 LEU H 3.950 . 4.350 3.755 3.453 3.879 . 0 0 "[ . 1 . 2]" 1 199 1 17 MET ME 1 17 MET HG2 3.740 . 4.110 2.710 2.403 3.415 . 0 0 "[ . 1 . 2]" 1 200 1 17 MET ME 1 17 MET QG 3.090 . 3.400 2.428 2.356 2.466 . 0 0 "[ . 1 . 2]" 1 201 1 17 MET ME 1 17 MET HG3 3.740 . 4.110 3.184 2.491 3.434 . 0 0 "[ . 1 . 2]" 1 202 1 17 MET ME 1 18 LEU H 4.200 . 4.620 3.784 2.912 4.706 0.086 5 0 "[ . 1 . 2]" 1 203 1 17 MET ME 1 20 GLY H 4.770 . 5.250 4.047 3.485 4.684 . 0 0 "[ . 1 . 2]" 1 204 1 17 MET ME 1 20 GLY QA 3.620 . 3.980 3.205 2.489 4.001 0.021 12 0 "[ . 1 . 2]" 1 205 1 17 MET ME 1 21 ARG H 4.100 . 4.510 3.866 3.302 4.558 0.048 7 0 "[ . 1 . 2]" 1 206 1 17 MET ME 1 22 PRO HA 3.650 . 4.020 3.247 2.257 4.077 0.057 2 0 "[ . 1 . 2]" 1 207 1 17 MET ME 1 22 PRO HB3 3.690 . 4.060 2.955 1.979 4.054 . 0 0 "[ . 1 . 2]" 1 208 1 17 MET ME 1 22 PRO HD2 4.450 . 4.890 3.912 3.284 4.478 . 0 0 "[ . 1 . 2]" 1 209 1 17 MET ME 1 22 PRO HD3 3.660 . 4.030 2.498 1.970 3.045 . 0 0 "[ . 1 . 2]" 1 210 1 18 LEU H 1 18 LEU HB2 3.820 . 4.200 2.560 2.317 2.715 . 0 0 "[ . 1 . 2]" 1 211 1 18 LEU H 1 18 LEU QB 3.180 . 3.500 2.517 2.290 2.661 . 0 0 "[ . 1 . 2]" 1 212 1 18 LEU H 1 18 LEU HB3 3.820 . 4.200 3.728 3.576 3.826 . 0 0 "[ . 1 . 2]" 1 213 1 18 LEU H 1 18 LEU QD 4.450 . 4.890 2.895 2.261 3.617 . 0 0 "[ . 1 . 2]" 1 214 1 18 LEU H 1 18 LEU HG 4.620 . 5.080 3.619 2.803 4.465 . 0 0 "[ . 1 . 2]" 1 215 1 18 LEU H 1 21 ARG H 4.020 . 4.420 3.584 3.041 4.438 0.018 20 0 "[ . 1 . 2]" 1 216 1 18 LEU H 1 23 ARG H 4.780 . 5.260 3.467 2.779 3.962 . 0 0 "[ . 1 . 2]" 1 217 1 18 LEU H 1 23 ARG QB 5.340 . 5.870 4.417 3.598 5.263 . 0 0 "[ . 1 . 2]" 1 218 1 18 LEU HA 1 18 LEU MD1 3.800 . 4.180 3.136 1.935 3.904 . 0 0 "[ . 1 . 2]" 1 219 1 18 LEU HA 1 18 LEU QD 3.210 . 3.530 2.262 1.912 2.950 . 0 0 "[ . 1 . 2]" 1 220 1 18 LEU HA 1 18 LEU MD2 3.800 . 4.180 2.759 1.997 3.768 . 0 0 "[ . 1 . 2]" 1 221 1 18 LEU HA 1 18 LEU HG 4.120 . 4.530 3.092 2.444 3.741 . 0 0 "[ . 1 . 2]" 1 222 1 18 LEU QB 1 18 LEU HG 2.640 . 2.900 2.335 2.165 2.442 . 0 0 "[ . 1 . 2]" 1 223 1 18 LEU QB 1 23 ARG QB 4.320 . 4.750 3.561 2.615 4.424 . 0 0 "[ . 1 . 2]" 1 224 1 18 LEU QD 1 23 ARG QB 3.650 . 4.020 2.574 1.720 4.042 0.022 20 0 "[ . 1 . 2]" 1 225 1 19 GLY QA 1 21 ARG H 4.460 . 4.910 3.573 3.350 3.837 . 0 0 "[ . 1 . 2]" 1 226 1 20 GLY H 1 21 ARG H 3.290 . 3.620 2.700 1.822 3.444 . 0 0 "[ . 1 . 2]" 1 227 1 21 ARG H 1 21 ARG QB 3.080 . 3.390 2.598 2.333 3.037 . 0 0 "[ . 1 . 2]" 1 228 1 21 ARG H 1 21 ARG HD2 5.500 . 6.050 4.535 2.443 5.423 . 0 0 "[ . 1 . 2]" 1 229 1 21 ARG H 1 21 ARG HD3 5.500 . 6.050 4.744 2.949 5.388 . 0 0 "[ . 1 . 2]" 1 230 1 21 ARG H 1 21 ARG HG2 4.770 . 5.250 3.530 1.895 4.421 . 0 0 "[ . 1 . 2]" 1 231 1 21 ARG H 1 21 ARG QG 4.110 . 4.520 2.735 1.866 3.756 . 0 0 "[ . 1 . 2]" 1 232 1 21 ARG H 1 21 ARG HG3 4.770 . 5.250 3.063 2.439 4.222 . 0 0 "[ . 1 . 2]" 1 233 1 21 ARG HA 1 21 ARG QG 3.640 . 4.000 2.630 2.301 3.363 . 0 0 "[ . 1 . 2]" 1 234 1 21 ARG HA 1 22 PRO HD2 3.050 . 3.360 2.360 2.023 2.901 . 0 0 "[ . 1 . 2]" 1 235 1 21 ARG HA 1 22 PRO HD3 3.020 . 3.320 2.187 1.739 2.519 . 0 0 "[ . 1 . 2]" 1 236 1 21 ARG HA 1 22 PRO HG2 4.700 . 5.170 4.407 4.232 4.555 . 0 0 "[ . 1 . 2]" 1 237 1 21 ARG HA 1 22 PRO QG 4.110 . 4.520 3.874 3.585 3.969 . 0 0 "[ . 1 . 2]" 1 238 1 21 ARG HA 1 22 PRO HG3 4.700 . 5.170 4.314 3.799 4.503 . 0 0 "[ . 1 . 2]" 1 239 1 21 ARG QB 1 22 PRO HD2 3.190 . 3.510 2.861 2.396 3.457 . 0 0 "[ . 1 . 2]" 1 240 1 21 ARG QB 1 22 PRO HD3 4.900 . 5.390 3.776 3.221 4.335 . 0 0 "[ . 1 . 2]" 1 241 1 21 ARG QG 1 22 PRO HD2 4.510 . 4.960 3.863 3.202 4.715 . 0 0 "[ . 1 . 2]" 1 242 1 21 ARG HG2 1 22 PRO HD2 5.320 . 5.850 4.295 3.266 5.783 . 0 0 "[ . 1 . 2]" 1 243 1 21 ARG HG3 1 22 PRO HD2 5.320 . 5.850 4.767 3.470 5.666 . 0 0 "[ . 1 . 2]" 1 244 1 22 PRO HA 1 23 ARG H 2.820 . 3.100 2.201 2.143 2.266 . 0 0 "[ . 1 . 2]" 1 245 1 22 PRO HB2 1 23 ARG H 4.160 . 4.580 3.812 3.226 4.140 . 0 0 "[ . 1 . 2]" 1 246 1 22 PRO HB3 1 23 ARG H 4.410 . 4.850 4.164 3.435 4.433 . 0 0 "[ . 1 . 2]" 1 247 1 23 ARG H 1 23 ARG HB2 3.920 . 4.310 2.805 2.408 3.860 . 0 0 "[ . 1 . 2]" 1 248 1 23 ARG H 1 23 ARG QB 3.350 . 3.690 2.590 2.374 2.974 . 0 0 "[ . 1 . 2]" 1 249 1 23 ARG H 1 23 ARG HB3 3.920 . 4.310 3.566 2.750 3.796 . 0 0 "[ . 1 . 2]" 1 250 1 23 ARG H 1 23 ARG HD2 5.500 . 6.050 4.811 3.754 5.715 . 0 0 "[ . 1 . 2]" 1 251 1 23 ARG H 1 23 ARG HD3 5.500 . 6.050 4.635 3.672 5.310 . 0 0 "[ . 1 . 2]" 1 252 1 23 ARG H 1 23 ARG QG 3.610 . 3.970 2.724 2.008 3.355 . 0 0 "[ . 1 . 2]" 1 253 1 23 ARG HA 1 23 ARG QG 3.690 . 4.060 2.791 2.261 3.354 . 0 0 "[ . 1 . 2]" 1 254 1 23 ARG HA 1 24 CYS H 2.930 . 3.220 2.260 2.164 2.374 . 0 0 "[ . 1 . 2]" 1 255 1 23 ARG QB 1 23 ARG QD 3.320 . 3.650 2.340 2.116 2.866 . 0 0 "[ . 1 . 2]" 1 256 1 23 ARG QB 1 24 CYS H 3.900 . 4.290 2.902 2.586 3.314 . 0 0 "[ . 1 . 2]" 1 257 1 23 ARG QB 1 24 CYS HA 5.340 . 5.870 4.291 3.959 4.654 . 0 0 "[ . 1 . 2]" 1 258 1 23 ARG HB2 1 24 CYS H 4.440 . 4.880 3.796 2.650 4.350 . 0 0 "[ . 1 . 2]" 1 259 1 23 ARG HB3 1 24 CYS H 4.440 . 4.880 3.218 2.633 4.029 . 0 0 "[ . 1 . 2]" 1 260 1 23 ARG QG 1 24 CYS H 4.780 . 5.260 4.137 3.508 4.742 . 0 0 "[ . 1 . 2]" 1 261 1 23 ARG HG2 1 24 CYS H 5.500 . 6.050 4.628 3.800 5.226 . 0 0 "[ . 1 . 2]" 1 262 1 23 ARG HG3 1 24 CYS H 5.500 . 6.050 4.852 3.616 5.434 . 0 0 "[ . 1 . 2]" 1 263 1 24 CYS H 1 24 CYS HB2 3.380 . 3.720 2.548 2.368 2.859 . 0 0 "[ . 1 . 2]" 1 264 1 24 CYS H 1 24 CYS HB3 3.980 . 4.380 3.514 2.699 3.807 . 0 0 "[ . 1 . 2]" 1 265 1 24 CYS HA 1 25 GLU H 3.000 . 3.300 2.162 2.108 2.214 . 0 0 "[ . 1 . 2]" 1 266 1 24 CYS HA 1 25 GLU HG2 5.500 . 6.050 4.407 3.501 5.432 . 0 0 "[ . 1 . 2]" 1 267 1 24 CYS HA 1 25 GLU HG3 5.500 . 6.050 4.732 3.776 5.811 . 0 0 "[ . 1 . 2]" 1 268 1 24 CYS HB2 1 25 GLU H 4.860 . 5.350 4.262 4.033 4.408 . 0 0 "[ . 1 . 2]" 1 269 1 24 CYS HB3 1 25 GLU H 4.490 . 4.940 3.386 2.900 4.154 . 0 0 "[ . 1 . 2]" 1 270 1 25 GLU H 1 25 GLU HB2 4.200 . 4.620 3.067 2.513 3.916 . 0 0 "[ . 1 . 2]" 1 271 1 25 GLU H 1 25 GLU QB 3.510 . 3.860 2.779 2.474 3.185 . 0 0 "[ . 1 . 2]" 1 272 1 25 GLU H 1 25 GLU HB3 4.200 . 4.620 3.604 3.071 3.863 . 0 0 "[ . 1 . 2]" 1 273 1 25 GLU H 1 25 GLU HG2 4.940 . 5.430 3.198 2.127 4.193 . 0 0 "[ . 1 . 2]" 1 274 1 25 GLU H 1 25 GLU QG 4.230 . 4.650 2.735 2.080 3.491 . 0 0 "[ . 1 . 2]" 1 275 1 25 GLU H 1 25 GLU HG3 4.940 . 5.430 3.393 2.809 4.561 . 0 0 "[ . 1 . 2]" 1 276 1 25 GLU HA 1 25 GLU QG 3.600 . 3.960 2.883 2.383 3.526 . 0 0 "[ . 1 . 2]" 1 277 1 25 GLU HA 1 26 CYS H 3.290 . 3.620 2.369 2.233 2.458 . 0 0 "[ . 1 . 2]" 1 278 1 25 GLU HA 1 26 CYS QB 4.580 . 5.040 4.332 4.181 4.628 . 0 0 "[ . 1 . 2]" 1 279 1 25 GLU QB 1 26 CYS QB 5.080 . 5.590 4.119 3.611 4.842 . 0 0 "[ . 1 . 2]" 1 280 1 25 GLU HB2 1 26 CYS H 4.850 . 5.330 3.334 2.412 4.173 . 0 0 "[ . 1 . 2]" 1 281 1 25 GLU HB3 1 26 CYS H 4.850 . 5.330 3.021 2.411 3.981 . 0 0 "[ . 1 . 2]" 1 282 1 26 CYS HA 1 27 ALA H 3.190 . 3.510 2.174 2.131 2.286 . 0 0 "[ . 1 . 2]" 1 283 1 26 CYS QB 1 27 ALA H 4.230 . 4.650 3.741 2.887 4.023 . 0 0 "[ . 1 . 2]" 1 284 1 26 CYS QB 1 58 CYS QB 3.530 . 3.880 2.858 1.654 3.905 0.025 9 0 "[ . 1 . 2]" 1 285 1 26 CYS HB2 1 27 ALA H 4.870 . 5.360 4.209 2.955 4.617 . 0 0 "[ . 1 . 2]" 1 286 1 26 CYS HB3 1 27 ALA H 4.870 . 5.360 4.272 3.706 4.465 . 0 0 "[ . 1 . 2]" 1 287 1 27 ALA MB 1 28 PRO HA 4.730 . 5.200 4.523 4.421 4.687 . 0 0 "[ . 1 . 2]" 1 288 1 28 PRO HA 1 29 ASP H 3.450 . 3.790 2.523 2.149 3.435 . 0 0 "[ . 1 . 2]" 1 289 1 28 PRO QB 1 55 ALA HA 4.650 . 5.120 3.432 1.770 5.118 . 0 0 "[ . 1 . 2]" 1 290 1 28 PRO HB2 1 29 ASP H 4.450 . 4.890 3.840 1.937 4.418 . 0 0 "[ . 1 . 2]" 1 291 1 28 PRO HB3 1 29 ASP H 4.450 . 4.890 4.210 3.345 4.731 . 0 0 "[ . 1 . 2]" 1 292 1 28 PRO QD 1 55 ALA MB 3.970 . 4.370 3.340 2.227 4.092 . 0 0 "[ . 1 . 2]" 1 293 1 28 PRO HD2 1 55 ALA MB 4.650 . 5.120 4.300 3.107 5.166 0.046 13 0 "[ . 1 . 2]" 1 294 1 28 PRO HD3 1 55 ALA MB 4.650 . 5.120 3.511 2.253 4.290 . 0 0 "[ . 1 . 2]" 1 295 1 28 PRO HG2 1 55 ALA HA 5.440 . 5.980 4.991 3.686 5.999 0.019 10 0 "[ . 1 . 2]" 1 296 1 28 PRO HG2 1 55 ALA MB 4.070 . 4.480 3.518 2.427 4.487 0.007 2 0 "[ . 1 . 2]" 1 297 1 28 PRO HG3 1 55 ALA H 4.580 . 5.040 4.092 2.878 5.046 0.006 13 0 "[ . 1 . 2]" 1 298 1 28 PRO HG3 1 55 ALA HA 4.420 . 4.860 3.555 2.358 4.477 . 0 0 "[ . 1 . 2]" 1 299 1 28 PRO HG3 1 55 ALA MB 3.670 . 4.040 2.441 1.812 3.511 . 0 0 "[ . 1 . 2]" 1 300 1 29 ASP H 1 29 ASP HB2 3.840 . 4.220 2.918 2.422 3.627 . 0 0 "[ . 1 . 2]" 1 301 1 29 ASP H 1 29 ASP HB3 3.840 . 4.220 3.118 2.355 4.050 . 0 0 "[ . 1 . 2]" 1 302 1 30 CYS HA 1 33 LEU QD 3.590 . 3.950 2.205 1.574 3.252 . 0 0 "[ . 1 . 2]" 1 303 1 30 CYS QB 1 33 LEU QB 5.140 . 5.650 4.115 1.889 5.751 0.101 8 0 "[ . 1 . 2]" 1 304 1 30 CYS QB 1 33 LEU QD 3.930 . 4.320 2.216 1.518 3.035 . 0 0 "[ . 1 . 2]" 1 305 1 30 CYS QB 1 51 CYS QB 4.090 . 4.500 2.811 1.852 4.155 . 0 0 "[ . 1 . 2]" 1 306 1 30 CYS HB2 1 33 LEU MD1 5.500 . 6.050 3.286 1.527 5.366 . 0 0 "[ . 1 . 2]" 1 307 1 30 CYS HB2 1 33 LEU MD2 5.500 . 6.050 4.115 1.760 6.028 . 0 0 "[ . 1 . 2]" 1 308 1 30 CYS HB3 1 33 LEU MD1 5.500 . 6.050 2.869 2.024 4.337 . 0 0 "[ . 1 . 2]" 1 309 1 30 CYS HB3 1 33 LEU MD2 5.500 . 6.050 3.870 2.502 5.418 . 0 0 "[ . 1 . 2]" 1 310 1 31 SER H 1 31 SER HB2 4.180 . 4.600 2.893 2.478 3.862 . 0 0 "[ . 1 . 2]" 1 311 1 31 SER H 1 31 SER QB 3.580 . 3.940 2.519 2.259 3.134 . 0 0 "[ . 1 . 2]" 1 312 1 31 SER H 1 31 SER HB3 4.180 . 4.600 3.013 2.494 3.883 . 0 0 "[ . 1 . 2]" 1 313 1 31 SER H 1 32 GLY H 4.420 . 4.860 3.586 2.157 4.552 . 0 0 "[ . 1 . 2]" 1 314 1 31 SER H 1 32 GLY QA 4.970 . 5.470 4.758 3.974 5.349 . 0 0 "[ . 1 . 2]" 1 315 1 31 SER H 1 33 LEU QD 4.850 . 5.330 3.672 2.005 5.076 . 0 0 "[ . 1 . 2]" 1 316 1 31 SER HA 1 32 GLY QA 4.640 . 5.100 4.116 3.842 4.418 . 0 0 "[ . 1 . 2]" 1 317 1 31 SER HA 1 33 LEU H 4.910 . 5.400 4.130 3.637 5.410 0.010 15 0 "[ . 1 . 2]" 1 318 1 32 GLY H 1 33 LEU H 4.550 . 5.010 2.900 1.965 4.066 . 0 0 "[ . 1 . 2]" 1 319 1 33 LEU H 1 33 LEU QB 3.370 . 3.710 2.810 2.368 3.275 . 0 0 "[ . 1 . 2]" 1 320 1 33 LEU H 1 33 LEU MD1 4.830 . 5.310 3.501 2.782 4.211 . 0 0 "[ . 1 . 2]" 1 321 1 33 LEU H 1 33 LEU QD 4.070 . 4.480 2.974 1.566 3.624 . 0 0 "[ . 1 . 2]" 1 322 1 33 LEU H 1 33 LEU MD2 4.830 . 5.310 3.504 1.567 4.019 . 0 0 "[ . 1 . 2]" 1 323 1 33 LEU H 1 33 LEU HG 3.660 . 4.030 2.560 1.900 3.689 . 0 0 "[ . 1 . 2]" 1 324 1 33 LEU HA 1 33 LEU QD 3.580 . 3.940 2.991 1.922 3.432 . 0 0 "[ . 1 . 2]" 1 325 1 33 LEU HA 1 34 PRO HD2 3.360 . 3.700 2.682 2.112 3.157 . 0 0 "[ . 1 . 2]" 1 326 1 33 LEU HA 1 34 PRO QD 2.940 . 3.230 2.028 1.817 2.169 . 0 0 "[ . 1 . 2]" 1 327 1 33 LEU HA 1 34 PRO HD3 3.360 . 3.700 2.155 1.840 2.452 . 0 0 "[ . 1 . 2]" 1 328 1 33 LEU QB 1 34 PRO QD 3.410 . 3.750 2.325 1.933 3.109 . 0 0 "[ . 1 . 2]" 1 329 1 33 LEU HB2 1 34 PRO HD2 4.760 . 5.240 2.851 1.983 4.539 . 0 0 "[ . 1 . 2]" 1 330 1 33 LEU HB2 1 34 PRO HD3 4.760 . 5.240 3.708 2.788 5.097 . 0 0 "[ . 1 . 2]" 1 331 1 33 LEU HB3 1 34 PRO HD2 4.760 . 5.240 3.374 2.227 4.176 . 0 0 "[ . 1 . 2]" 1 332 1 33 LEU HB3 1 34 PRO HD3 4.760 . 5.240 3.930 3.186 4.369 . 0 0 "[ . 1 . 2]" 1 333 1 33 LEU QD 1 34 PRO QD 3.740 . 4.110 3.108 2.288 3.779 . 0 0 "[ . 1 . 2]" 1 334 1 33 LEU QD 1 34 PRO QG 5.190 . 5.710 4.320 3.692 5.160 . 0 0 "[ . 1 . 2]" 1 335 1 33 LEU QD 1 50 GLU QB 3.610 . 3.970 2.195 1.621 3.030 . 0 0 "[ . 1 . 2]" 1 336 1 33 LEU QD 1 50 GLU QG 3.560 . 3.920 2.546 1.775 3.623 . 0 0 "[ . 1 . 2]" 1 337 1 33 LEU QD 1 51 CYS H 4.030 . 4.430 3.039 2.302 3.889 . 0 0 "[ . 1 . 2]" 1 338 1 33 LEU QD 1 51 CYS HA 4.190 . 4.610 3.015 2.212 3.890 . 0 0 "[ . 1 . 2]" 1 339 1 33 LEU QD 1 51 CYS QB 4.230 . 4.650 2.819 1.675 4.297 . 0 0 "[ . 1 . 2]" 1 340 1 33 LEU QD 1 54 ARG QD 3.830 . 4.210 3.003 2.121 4.321 0.111 15 0 "[ . 1 . 2]" 1 341 1 33 LEU MD1 1 34 PRO HD2 5.500 . 6.050 3.809 3.249 4.854 . 0 0 "[ . 1 . 2]" 1 342 1 33 LEU MD1 1 34 PRO HD3 5.500 . 6.050 4.689 4.184 5.660 . 0 0 "[ . 1 . 2]" 1 343 1 33 LEU MD1 1 50 GLU HB2 5.390 . 5.930 3.880 2.916 4.784 . 0 0 "[ . 1 . 2]" 1 344 1 33 LEU MD1 1 50 GLU HB3 5.390 . 5.930 2.528 1.682 3.561 . 0 0 "[ . 1 . 2]" 1 345 1 33 LEU MD1 1 50 GLU HG2 5.500 . 6.050 3.579 1.866 5.157 . 0 0 "[ . 1 . 2]" 1 346 1 33 LEU MD1 1 50 GLU HG3 5.500 . 6.050 4.270 2.436 6.008 . 0 0 "[ . 1 . 2]" 1 347 1 33 LEU MD1 1 51 CYS H 4.910 . 5.400 3.164 2.418 3.979 . 0 0 "[ . 1 . 2]" 1 348 1 33 LEU MD2 1 34 PRO HD2 5.500 . 6.050 4.008 2.384 5.232 . 0 0 "[ . 1 . 2]" 1 349 1 33 LEU MD2 1 34 PRO HD3 5.500 . 6.050 4.638 2.926 5.571 . 0 0 "[ . 1 . 2]" 1 350 1 33 LEU MD2 1 50 GLU HB2 5.390 . 5.930 4.186 3.232 5.863 . 0 0 "[ . 1 . 2]" 1 351 1 33 LEU MD2 1 50 GLU HB3 5.390 . 5.930 3.056 1.628 4.552 . 0 0 "[ . 1 . 2]" 1 352 1 33 LEU MD2 1 50 GLU HG2 5.500 . 6.050 3.380 2.147 5.017 . 0 0 "[ . 1 . 2]" 1 353 1 33 LEU MD2 1 50 GLU HG3 5.500 . 6.050 3.951 1.834 6.094 0.044 15 0 "[ . 1 . 2]" 1 354 1 33 LEU MD2 1 51 CYS H 4.910 . 5.400 4.278 2.439 5.482 0.082 2 0 "[ . 1 . 2]" 1 355 1 34 PRO HA 1 35 ALA H 3.160 . 3.480 2.183 2.150 2.264 . 0 0 "[ . 1 . 2]" 1 356 1 34 PRO HA 1 35 ALA MB 4.680 . 5.150 4.054 4.006 4.136 . 0 0 "[ . 1 . 2]" 1 357 1 34 PRO QB 1 35 ALA H 4.000 . 4.400 3.415 2.907 3.571 . 0 0 "[ . 1 . 2]" 1 358 1 34 PRO QB 1 35 ALA MB 5.340 . 5.870 4.701 4.271 4.828 . 0 0 "[ . 1 . 2]" 1 359 1 34 PRO QB 1 37 LEU QB 3.660 . 4.030 2.581 1.760 3.650 . 0 0 "[ . 1 . 2]" 1 360 1 34 PRO QB 1 37 LEU QD 4.020 . 4.420 3.528 2.264 4.459 0.039 3 0 "[ . 1 . 2]" 1 361 1 34 PRO HB2 1 37 LEU HB2 5.140 . 5.650 3.223 1.781 4.711 . 0 0 "[ . 1 . 2]" 1 362 1 34 PRO HB2 1 37 LEU HB3 5.140 . 5.650 3.383 1.963 4.506 . 0 0 "[ . 1 . 2]" 1 363 1 34 PRO HB3 1 37 LEU HB2 5.140 . 5.650 4.126 2.832 5.670 0.020 3 0 "[ . 1 . 2]" 1 364 1 34 PRO HB3 1 37 LEU HB3 5.140 . 5.650 4.436 1.803 5.700 0.050 15 0 "[ . 1 . 2]" 1 365 1 34 PRO QG 1 37 LEU QB 4.080 . 4.490 2.893 1.960 4.544 0.054 13 0 "[ . 1 . 2]" 1 366 1 34 PRO QG 1 37 LEU QD 4.460 . 4.910 3.136 2.233 4.620 . 0 0 "[ . 1 . 2]" 1 367 1 35 ALA H 1 35 ALA MB 3.260 . 3.590 2.301 2.228 2.468 . 0 0 "[ . 1 . 2]" 1 368 1 35 ALA HA 1 36 ARG H 3.350 . 3.690 2.848 2.141 3.487 . 0 0 "[ . 1 . 2]" 1 369 1 35 ALA HA 1 36 ARG QG 4.580 . 5.040 4.558 3.835 5.104 0.064 16 0 "[ . 1 . 2]" 1 370 1 35 ALA HA 1 37 LEU H 4.500 . 4.950 3.771 3.310 4.988 0.038 7 0 "[ . 1 . 2]" 1 371 1 35 ALA HA 1 49 ASP HB2 4.750 . 5.220 2.939 2.134 4.737 . 0 0 "[ . 1 . 2]" 1 372 1 35 ALA HA 1 49 ASP QB 4.160 . 4.580 2.768 2.046 4.389 . 0 0 "[ . 1 . 2]" 1 373 1 35 ALA HA 1 49 ASP HB3 4.750 . 5.220 3.525 2.453 5.186 . 0 0 "[ . 1 . 2]" 1 374 1 35 ALA MB 1 36 ARG H 4.100 . 4.510 3.268 2.403 3.714 . 0 0 "[ . 1 . 2]" 1 375 1 35 ALA MB 1 36 ARG QB 5.340 . 5.870 4.272 3.587 4.863 . 0 0 "[ . 1 . 2]" 1 376 1 36 ARG H 1 36 ARG QG 4.330 . 4.760 2.771 2.067 3.417 . 0 0 "[ . 1 . 2]" 1 377 1 36 ARG H 1 37 LEU H 4.120 . 4.530 2.263 1.657 3.017 . 0 0 "[ . 1 . 2]" 1 378 1 36 ARG H 1 49 ASP QB 4.410 . 4.850 3.452 2.412 4.773 . 0 0 "[ . 1 . 2]" 1 379 1 36 ARG HA 1 36 ARG HD2 5.500 . 6.050 4.368 2.118 4.889 . 0 0 "[ . 1 . 2]" 1 380 1 36 ARG HA 1 36 ARG QD 4.680 . 5.150 3.838 1.998 4.299 . 0 0 "[ . 1 . 2]" 1 381 1 36 ARG HA 1 36 ARG HD3 5.500 . 6.050 4.376 2.034 4.875 . 0 0 "[ . 1 . 2]" 1 382 1 36 ARG HA 1 36 ARG HG2 4.200 . 4.620 2.928 2.405 3.776 . 0 0 "[ . 1 . 2]" 1 383 1 36 ARG HA 1 36 ARG QG 3.530 . 3.880 2.699 2.338 3.354 . 0 0 "[ . 1 . 2]" 1 384 1 36 ARG HA 1 36 ARG HG3 4.200 . 4.620 3.324 2.415 3.844 . 0 0 "[ . 1 . 2]" 1 385 1 36 ARG HA 1 49 ASP QB 4.470 . 4.920 3.519 2.411 4.833 . 0 0 "[ . 1 . 2]" 1 386 1 37 LEU H 1 37 LEU HB2 3.640 . 4.000 2.729 2.258 3.268 . 0 0 "[ . 1 . 2]" 1 387 1 37 LEU H 1 37 LEU HB3 3.640 . 4.000 2.701 2.405 3.753 . 0 0 "[ . 1 . 2]" 1 388 1 37 LEU H 1 37 LEU QD 4.650 . 5.120 3.782 3.462 4.011 . 0 0 "[ . 1 . 2]" 1 389 1 37 LEU H 1 37 LEU HG 4.900 . 5.390 4.504 2.979 4.921 . 0 0 "[ . 1 . 2]" 1 390 1 37 LEU H 1 38 GLN H 4.740 . 5.210 4.279 4.080 4.490 . 0 0 "[ . 1 . 2]" 1 391 1 37 LEU H 1 49 ASP HA 4.700 . 5.170 4.044 3.184 5.176 0.006 7 0 "[ . 1 . 2]" 1 392 1 37 LEU H 1 49 ASP HB2 4.280 . 4.710 3.545 2.684 4.332 . 0 0 "[ . 1 . 2]" 1 393 1 37 LEU H 1 49 ASP QB 3.620 . 3.980 3.077 2.063 3.834 . 0 0 "[ . 1 . 2]" 1 394 1 37 LEU H 1 49 ASP HB3 4.280 . 4.710 3.484 2.125 4.764 0.054 13 0 "[ . 1 . 2]" 1 395 1 37 LEU H 1 50 GLU H 4.870 . 5.360 4.526 3.649 5.367 0.007 7 0 "[ . 1 . 2]" 1 396 1 37 LEU HA 1 37 LEU MD1 3.970 . 4.370 2.752 2.068 3.874 . 0 0 "[ . 1 . 2]" 1 397 1 37 LEU HA 1 37 LEU MD2 3.970 . 4.370 2.878 1.894 3.917 . 0 0 "[ . 1 . 2]" 1 398 1 37 LEU HA 1 37 LEU HG 3.890 . 4.280 3.293 2.471 3.733 . 0 0 "[ . 1 . 2]" 1 399 1 37 LEU HA 1 38 GLN H 2.970 . 3.270 2.175 2.139 2.239 . 0 0 "[ . 1 . 2]" 1 400 1 37 LEU QB 1 38 GLN H 4.250 . 4.680 3.864 3.477 3.999 . 0 0 "[ . 1 . 2]" 1 401 1 37 LEU QB 1 69 ARG QB 5.180 . 5.700 4.468 2.476 5.455 . 0 0 "[ . 1 . 2]" 1 402 1 37 LEU QD 1 69 ARG QB 3.630 . 3.990 2.265 1.798 2.767 . 0 0 "[ . 1 . 2]" 1 403 1 37 LEU QD 1 69 ARG QG 4.330 . 4.760 3.178 1.935 4.061 . 0 0 "[ . 1 . 2]" 1 404 1 37 LEU QD 1 70 GLY H 4.120 . 4.530 3.288 2.298 4.545 0.015 6 0 "[ . 1 . 2]" 1 405 1 37 LEU MD1 1 38 GLN H 4.850 . 5.330 3.192 2.022 5.327 . 0 0 "[ . 1 . 2]" 1 406 1 37 LEU MD2 1 38 GLN H 4.850 . 5.330 3.700 2.369 5.117 . 0 0 "[ . 1 . 2]" 1 407 1 38 GLN H 1 38 GLN QB 3.320 . 3.650 2.465 2.375 2.559 . 0 0 "[ . 1 . 2]" 1 408 1 38 GLN H 1 38 GLN HG2 4.100 . 4.510 3.372 3.121 3.596 . 0 0 "[ . 1 . 2]" 1 409 1 38 GLN H 1 38 GLN QG 3.330 . 3.660 2.183 1.960 2.406 . 0 0 "[ . 1 . 2]" 1 410 1 38 GLN H 1 38 GLN HG3 4.100 . 4.510 2.212 1.979 2.446 . 0 0 "[ . 1 . 2]" 1 411 1 38 GLN H 1 39 VAL H 4.880 . 5.370 4.644 4.608 4.671 . 0 0 "[ . 1 . 2]" 1 412 1 38 GLN HA 1 38 GLN HG2 4.140 . 4.550 2.550 2.451 2.644 . 0 0 "[ . 1 . 2]" 1 413 1 38 GLN HA 1 38 GLN QG 3.580 . 3.940 2.437 2.374 2.513 . 0 0 "[ . 1 . 2]" 1 414 1 38 GLN HA 1 38 GLN HG3 4.140 . 4.550 3.106 2.903 3.283 . 0 0 "[ . 1 . 2]" 1 415 1 38 GLN HA 1 39 VAL H 3.230 . 3.550 2.283 2.183 2.426 . 0 0 "[ . 1 . 2]" 1 416 1 38 GLN HA 1 39 VAL QG 5.360 . 5.900 3.226 3.136 3.433 . 0 0 "[ . 1 . 2]" 1 417 1 38 GLN QB 1 39 VAL H 3.570 . 3.930 2.712 2.383 2.977 . 0 0 "[ . 1 . 2]" 1 418 1 38 GLN QB 1 46 THR MG 3.210 . 3.530 2.311 2.023 2.943 . 0 0 "[ . 1 . 2]" 1 419 1 38 GLN QB 1 71 ARG H 4.110 . 4.520 3.838 2.704 4.463 . 0 0 "[ . 1 . 2]" 1 420 1 38 GLN HB2 1 39 VAL H 4.260 . 4.690 3.881 3.633 4.101 . 0 0 "[ . 1 . 2]" 1 421 1 38 GLN HB3 1 39 VAL H 4.260 . 4.690 2.770 2.413 3.066 . 0 0 "[ . 1 . 2]" 1 422 1 38 GLN QE 1 71 ARG QB 5.180 . 5.700 4.429 2.731 5.764 0.064 1 0 "[ . 1 . 2]" 1 423 1 38 GLN QE 1 71 ARG QD 4.330 . 4.760 3.678 1.933 4.803 0.043 7 0 "[ . 1 . 2]" 1 424 1 38 GLN HE21 1 46 THR MG 4.590 . 5.050 3.748 1.740 5.056 0.006 9 0 "[ . 1 . 2]" 1 425 1 38 GLN HE22 1 46 THR MG 4.590 . 5.050 3.744 2.578 4.775 . 0 0 "[ . 1 . 2]" 1 426 1 38 GLN QG 1 46 THR MG 3.890 . 4.280 3.542 3.203 3.927 . 0 0 "[ . 1 . 2]" 1 427 1 38 GLN QG 1 48 ARG HA 3.480 . 3.830 2.378 1.636 2.966 . 0 0 "[ . 1 . 2]" 1 428 1 38 GLN HG2 1 46 THR MG 4.640 . 5.100 3.707 3.318 4.135 . 0 0 "[ . 1 . 2]" 1 429 1 38 GLN HG2 1 48 ARG HA 4.140 . 4.550 2.397 1.640 3.005 . 0 0 "[ . 1 . 2]" 1 430 1 38 GLN HG3 1 46 THR MG 4.640 . 5.100 4.506 4.147 4.972 . 0 0 "[ . 1 . 2]" 1 431 1 38 GLN HG3 1 48 ARG HA 4.140 . 4.550 4.021 3.323 4.584 0.034 16 0 "[ . 1 . 2]" 1 432 1 39 VAL H 1 39 VAL MG1 4.160 . 4.580 2.966 2.390 3.184 . 0 0 "[ . 1 . 2]" 1 433 1 39 VAL H 1 39 VAL QG 3.310 . 3.640 2.226 2.104 2.474 . 0 0 "[ . 1 . 2]" 1 434 1 39 VAL H 1 39 VAL MG2 4.160 . 4.580 2.440 2.153 4.020 . 0 0 "[ . 1 . 2]" 1 435 1 39 VAL H 1 46 THR MG 4.300 . 4.730 3.284 2.545 4.122 . 0 0 "[ . 1 . 2]" 1 436 1 39 VAL H 1 47 TYR H 4.150 . 4.570 3.225 2.553 3.587 . 0 0 "[ . 1 . 2]" 1 437 1 39 VAL H 1 47 TYR QB 4.690 . 5.160 3.441 3.180 3.764 . 0 0 "[ . 1 . 2]" 1 438 1 39 VAL H 1 49 ASP H 5.340 . 5.870 4.177 3.901 4.533 . 0 0 "[ . 1 . 2]" 1 439 1 39 VAL HA 1 40 CYS H 3.310 . 3.640 2.306 2.243 2.435 . 0 0 "[ . 1 . 2]" 1 440 1 39 VAL HA 1 40 CYS QB 4.770 . 5.250 4.144 3.997 4.501 . 0 0 "[ . 1 . 2]" 1 441 1 39 VAL HA 1 70 GLY H 3.410 . 3.750 2.143 1.613 2.879 . 0 0 "[ . 1 . 2]" 1 442 1 39 VAL HB 1 40 CYS H 4.050 . 4.460 2.822 2.331 4.089 . 0 0 "[ . 1 . 2]" 1 443 1 39 VAL HB 1 50 GLU QG 5.240 . 5.760 4.590 2.981 5.829 0.069 11 0 "[ . 1 . 2]" 1 444 1 39 VAL HB 1 68 TYR H 5.500 . 6.050 4.821 4.042 6.097 0.047 1 0 "[ . 1 . 2]" 1 445 1 39 VAL HB 1 69 ARG HA 4.380 . 4.820 3.253 2.766 3.732 . 0 0 "[ . 1 . 2]" 1 446 1 39 VAL QG 1 47 TYR H 4.080 . 4.490 3.193 2.806 3.473 . 0 0 "[ . 1 . 2]" 1 447 1 39 VAL QG 1 47 TYR QB 3.380 . 3.720 2.357 2.143 2.612 . 0 0 "[ . 1 . 2]" 1 448 1 39 VAL QG 1 47 TYR QD 4.350 . 4.790 3.062 2.485 3.587 . 0 0 "[ . 1 . 2]" 1 449 1 39 VAL QG 1 49 ASP H 4.540 . 4.990 3.488 3.233 3.861 . 0 0 "[ . 1 . 2]" 1 450 1 39 VAL QG 1 50 GLU H 3.920 . 4.310 2.795 2.447 3.446 . 0 0 "[ . 1 . 2]" 1 451 1 39 VAL QG 1 50 GLU HA 3.110 . 3.420 1.923 1.703 2.198 . 0 0 "[ . 1 . 2]" 1 452 1 39 VAL QG 1 50 GLU QB 3.580 . 3.940 2.308 1.873 3.580 . 0 0 "[ . 1 . 2]" 1 453 1 39 VAL QG 1 50 GLU QG 4.080 . 4.490 2.891 2.368 4.218 . 0 0 "[ . 1 . 2]" 1 454 1 39 VAL QG 1 53 LEU H 4.310 . 4.740 3.453 3.126 3.910 . 0 0 "[ . 1 . 2]" 1 455 1 39 VAL QG 1 53 LEU QB 3.770 . 4.150 2.242 1.893 2.602 . 0 0 "[ . 1 . 2]" 1 456 1 39 VAL QG 1 53 LEU QD 3.210 . 3.530 2.071 1.857 2.391 . 0 0 "[ . 1 . 2]" 1 457 1 39 VAL QG 1 54 ARG H 4.880 . 5.370 4.596 4.145 5.204 . 0 0 "[ . 1 . 2]" 1 458 1 39 VAL QG 1 66 VAL QG 3.490 . 3.840 2.461 1.814 2.970 . 0 0 "[ . 1 . 2]" 1 459 1 39 VAL QG 1 69 ARG HA 3.490 . 3.840 2.148 1.636 2.788 . 0 0 "[ . 1 . 2]" 1 460 1 39 VAL QG 1 69 ARG QD 4.850 . 5.330 3.504 2.265 4.647 . 0 0 "[ . 1 . 2]" 1 461 1 39 VAL QG 1 69 ARG QG 3.720 . 4.090 2.256 1.665 3.868 . 0 0 "[ . 1 . 2]" 1 462 1 39 VAL QG 1 70 GLY H 4.000 . 4.400 2.970 2.412 4.161 . 0 0 "[ . 1 . 2]" 1 463 1 39 VAL MG1 1 40 CYS H 4.150 . 4.570 3.770 3.646 3.855 . 0 0 "[ . 1 . 2]" 1 464 1 39 VAL MG1 1 50 GLU H 4.550 . 5.010 2.962 2.563 3.509 . 0 0 "[ . 1 . 2]" 1 465 1 39 VAL MG1 1 50 GLU HA 3.640 . 4.000 2.744 1.806 3.524 . 0 0 "[ . 1 . 2]" 1 466 1 39 VAL MG2 1 40 CYS H 4.150 . 4.570 3.496 2.322 3.861 . 0 0 "[ . 1 . 2]" 1 467 1 39 VAL MG2 1 50 GLU H 4.550 . 5.010 3.524 3.087 5.061 0.051 1 0 "[ . 1 . 2]" 1 468 1 39 VAL MG2 1 50 GLU HA 3.640 . 4.000 2.103 1.716 3.614 . 0 0 "[ . 1 . 2]" 1 469 1 40 CYS H 1 40 CYS HB2 3.810 . 4.190 2.785 2.401 3.078 . 0 0 "[ . 1 . 2]" 1 470 1 40 CYS H 1 40 CYS QB 3.320 . 3.650 2.422 2.369 2.529 . 0 0 "[ . 1 . 2]" 1 471 1 40 CYS H 1 40 CYS HB3 3.810 . 4.190 2.835 2.536 3.701 . 0 0 "[ . 1 . 2]" 1 472 1 40 CYS H 1 66 VAL QG 4.350 . 4.790 3.386 2.716 4.602 . 0 0 "[ . 1 . 2]" 1 473 1 40 CYS H 1 67 MET H 4.830 . 5.310 4.549 4.185 5.348 0.038 9 0 "[ . 1 . 2]" 1 474 1 40 CYS H 1 68 TYR H 4.180 . 4.600 3.510 3.187 4.545 . 0 0 "[ . 1 . 2]" 1 475 1 40 CYS H 1 68 TYR QD 5.420 . 5.960 4.415 3.989 4.875 . 0 0 "[ . 1 . 2]" 1 476 1 40 CYS H 1 68 TYR QE 5.500 . 6.050 4.908 4.476 5.453 . 0 0 "[ . 1 . 2]" 1 477 1 40 CYS H 1 69 ARG HA 4.160 . 4.580 3.502 2.739 4.273 . 0 0 "[ . 1 . 2]" 1 478 1 40 CYS H 1 70 GLY H 4.260 . 4.690 3.786 2.627 4.709 0.019 1 0 "[ . 1 . 2]" 1 479 1 40 CYS HA 1 41 GLY H 3.150 . 3.470 2.158 2.143 2.177 . 0 0 "[ . 1 . 2]" 1 480 1 40 CYS HA 1 41 GLY QA 4.510 . 4.960 3.907 3.877 3.932 . 0 0 "[ . 1 . 2]" 1 481 1 40 CYS HA 1 47 TYR H 4.390 . 4.830 3.277 2.757 3.785 . 0 0 "[ . 1 . 2]" 1 482 1 40 CYS HA 1 47 TYR QD 5.200 . 5.720 3.655 3.115 4.562 . 0 0 "[ . 1 . 2]" 1 483 1 40 CYS QB 1 68 TYR H 4.090 . 4.500 3.223 2.491 4.508 0.008 9 0 "[ . 1 . 2]" 1 484 1 40 CYS QB 1 68 TYR QD 4.620 . 5.080 3.650 3.282 4.371 . 0 0 "[ . 1 . 2]" 1 485 1 40 CYS QB 1 68 TYR QE 3.900 . 4.290 3.207 2.673 3.976 . 0 0 "[ . 1 . 2]" 1 486 1 40 CYS QB 1 72 CYS HA 3.700 . 4.070 2.829 2.142 3.696 . 0 0 "[ . 1 . 2]" 1 487 1 40 CYS HB2 1 72 CYS HA 4.390 . 4.830 3.003 2.178 4.102 . 0 0 "[ . 1 . 2]" 1 488 1 40 CYS HB3 1 72 CYS HA 4.390 . 4.830 3.669 3.030 4.286 . 0 0 "[ . 1 . 2]" 1 489 1 41 GLY H 1 45 ALA H 4.870 . 5.360 3.645 2.930 4.801 . 0 0 "[ . 1 . 2]" 1 490 1 41 GLY H 1 47 TYR QD 4.360 . 4.800 2.946 2.426 3.802 . 0 0 "[ . 1 . 2]" 1 491 1 41 GLY H 1 53 LEU QD 4.370 . 4.810 3.361 3.020 3.764 . 0 0 "[ . 1 . 2]" 1 492 1 41 GLY H 1 64 LEU QD 4.580 . 5.040 3.934 3.436 4.505 . 0 0 "[ . 1 . 2]" 1 493 1 41 GLY QA 1 42 SER QB 4.920 . 5.410 4.079 3.889 4.253 . 0 0 "[ . 1 . 2]" 1 494 1 41 GLY QA 1 43 ASP H 3.870 . 4.260 3.142 2.905 3.493 . 0 0 "[ . 1 . 2]" 1 495 1 41 GLY QA 1 47 TYR QD 4.740 . 5.210 3.399 2.948 3.859 . 0 0 "[ . 1 . 2]" 1 496 1 41 GLY QA 1 53 LEU QD 3.570 . 3.930 2.073 1.738 2.420 . 0 0 "[ . 1 . 2]" 1 497 1 41 GLY QA 1 64 LEU QD 3.590 . 3.950 2.125 1.750 2.730 . 0 0 "[ . 1 . 2]" 1 498 1 41 GLY QA 1 66 VAL HA 4.220 . 4.640 2.543 2.070 3.029 . 0 0 "[ . 1 . 2]" 1 499 1 41 GLY QA 1 67 MET H 4.200 . 4.620 3.041 2.482 3.920 . 0 0 "[ . 1 . 2]" 1 500 1 41 GLY HA2 1 43 ASP H 4.740 . 5.210 4.199 3.988 4.610 . 0 0 "[ . 1 . 2]" 1 501 1 41 GLY HA3 1 43 ASP H 4.740 . 5.210 3.247 2.984 3.617 . 0 0 "[ . 1 . 2]" 1 502 1 42 SER H 1 42 SER HB2 4.140 . 4.550 2.933 2.475 3.604 . 0 0 "[ . 1 . 2]" 1 503 1 42 SER H 1 42 SER QB 3.540 . 3.890 2.431 2.264 2.626 . 0 0 "[ . 1 . 2]" 1 504 1 42 SER H 1 42 SER HB3 4.140 . 4.550 2.782 2.525 3.610 . 0 0 "[ . 1 . 2]" 1 505 1 42 SER H 1 43 ASP H 3.990 . 4.390 2.775 2.657 2.916 . 0 0 "[ . 1 . 2]" 1 506 1 42 SER H 1 53 LEU MD1 5.500 . 6.050 3.700 3.431 3.972 . 0 0 "[ . 1 . 2]" 1 507 1 42 SER H 1 53 LEU QD 4.810 . 5.290 3.510 3.263 3.772 . 0 0 "[ . 1 . 2]" 1 508 1 42 SER H 1 53 LEU MD2 5.500 . 6.050 4.422 3.631 4.967 . 0 0 "[ . 1 . 2]" 1 509 1 42 SER H 1 64 LEU QB 5.340 . 5.870 4.978 4.307 5.855 . 0 0 "[ . 1 . 2]" 1 510 1 42 SER H 1 64 LEU QD 3.630 . 3.990 2.386 1.671 3.205 . 0 0 "[ . 1 . 2]" 1 511 1 42 SER H 1 65 SER H 3.970 . 4.370 2.680 2.267 3.187 . 0 0 "[ . 1 . 2]" 1 512 1 42 SER H 1 66 VAL HA 4.690 . 5.160 3.910 3.508 4.413 . 0 0 "[ . 1 . 2]" 1 513 1 42 SER H 1 67 MET H 4.600 . 5.060 4.192 3.632 4.691 . 0 0 "[ . 1 . 2]" 1 514 1 42 SER H 1 67 MET QB 5.500 . 6.050 5.164 4.465 5.697 . 0 0 "[ . 1 . 2]" 1 515 1 42 SER H 1 67 MET ME 4.800 . 5.280 4.134 3.420 4.676 . 0 0 "[ . 1 . 2]" 1 516 1 42 SER H 1 67 MET QG 4.480 . 4.930 3.519 2.894 4.104 . 0 0 "[ . 1 . 2]" 1 517 1 42 SER HA 1 44 GLY H 4.540 . 4.990 3.879 3.382 4.393 . 0 0 "[ . 1 . 2]" 1 518 1 42 SER HA 1 67 MET QB 4.340 . 4.770 4.291 3.905 4.526 . 0 0 "[ . 1 . 2]" 1 519 1 42 SER HA 1 67 MET ME 4.390 . 4.830 2.391 1.633 3.533 . 0 0 "[ . 1 . 2]" 1 520 1 42 SER HA 1 67 MET HG2 4.040 . 4.440 3.081 2.055 4.026 . 0 0 "[ . 1 . 2]" 1 521 1 42 SER HA 1 67 MET QG 3.450 . 3.790 2.397 1.991 2.850 . 0 0 "[ . 1 . 2]" 1 522 1 42 SER HA 1 67 MET HG3 4.040 . 4.440 2.639 2.212 3.403 . 0 0 "[ . 1 . 2]" 1 523 1 42 SER QB 1 65 SER H 4.420 . 4.860 2.508 1.974 2.975 . 0 0 "[ . 1 . 2]" 1 524 1 42 SER QB 1 67 MET QG 4.300 . 4.730 3.411 2.802 4.190 . 0 0 "[ . 1 . 2]" 1 525 1 43 ASP H 1 43 ASP QB 3.610 . 3.970 2.337 2.193 2.677 . 0 0 "[ . 1 . 2]" 1 526 1 43 ASP H 1 44 GLY H 3.290 . 3.620 2.592 2.259 2.815 . 0 0 "[ . 1 . 2]" 1 527 1 43 ASP H 1 45 ALA H 4.320 . 4.750 3.910 3.470 4.671 . 0 0 "[ . 1 . 2]" 1 528 1 43 ASP H 1 45 ALA MB 5.500 . 6.050 4.821 4.184 5.629 . 0 0 "[ . 1 . 2]" 1 529 1 43 ASP H 1 64 LEU MD1 4.800 . 5.280 2.695 2.101 4.492 . 0 0 "[ . 1 . 2]" 1 530 1 43 ASP H 1 64 LEU QD 3.310 . 3.640 2.545 2.095 2.994 . 0 0 "[ . 1 . 2]" 1 531 1 43 ASP H 1 64 LEU MD2 4.800 . 5.280 4.593 2.706 5.349 0.069 20 0 "[ . 1 . 2]" 1 532 1 43 ASP H 1 64 LEU HG 5.500 . 6.050 4.879 2.221 5.562 . 0 0 "[ . 1 . 2]" 1 533 1 43 ASP QB 1 64 LEU QD 3.730 . 4.100 2.640 1.655 3.746 . 0 0 "[ . 1 . 2]" 1 534 1 44 GLY H 1 45 ALA H 3.470 . 3.820 2.344 2.000 2.665 . 0 0 "[ . 1 . 2]" 1 535 1 44 GLY H 1 64 LEU QD 4.610 . 5.070 4.214 3.716 4.569 . 0 0 "[ . 1 . 2]" 1 536 1 44 GLY QA 1 45 ALA HA 4.490 . 4.940 4.061 4.027 4.100 . 0 0 "[ . 1 . 2]" 1 537 1 45 ALA H 1 45 ALA MB 3.150 . 3.470 2.341 2.248 2.442 . 0 0 "[ . 1 . 2]" 1 538 1 45 ALA H 1 64 LEU QD 4.810 . 5.290 4.388 3.637 4.953 . 0 0 "[ . 1 . 2]" 1 539 1 45 ALA HA 1 46 THR H 3.030 . 3.330 2.225 2.173 2.288 . 0 0 "[ . 1 . 2]" 1 540 1 45 ALA HA 1 46 THR HB 5.170 . 5.690 4.710 4.498 4.832 . 0 0 "[ . 1 . 2]" 1 541 1 45 ALA MB 1 46 THR H 3.300 . 3.630 2.859 2.617 3.145 . 0 0 "[ . 1 . 2]" 1 542 1 46 THR H 1 46 THR HB 3.370 . 3.710 2.535 2.365 2.599 . 0 0 "[ . 1 . 2]" 1 543 1 46 THR HA 1 47 TYR H 3.250 . 3.580 2.168 2.139 2.257 . 0 0 "[ . 1 . 2]" 1 544 1 46 THR MG 1 47 TYR H 3.580 . 3.940 2.892 2.253 3.183 . 0 0 "[ . 1 . 2]" 1 545 1 46 THR MG 1 71 ARG H 4.780 . 5.260 4.181 3.463 4.798 . 0 0 "[ . 1 . 2]" 1 546 1 46 THR MG 1 71 ARG HA 3.180 . 3.500 2.191 1.878 2.675 . 0 0 "[ . 1 . 2]" 1 547 1 46 THR MG 1 71 ARG HD2 5.500 . 6.050 4.175 2.166 5.389 . 0 0 "[ . 1 . 2]" 1 548 1 46 THR MG 1 71 ARG QD 4.720 . 5.190 3.678 2.150 4.972 . 0 0 "[ . 1 . 2]" 1 549 1 46 THR MG 1 71 ARG HD3 5.500 . 6.050 4.374 3.271 5.832 . 0 0 "[ . 1 . 2]" 1 550 1 46 THR MG 1 71 ARG HG2 5.230 . 5.750 3.053 1.628 4.646 . 0 0 "[ . 1 . 2]" 1 551 1 46 THR MG 1 71 ARG QG 4.500 . 4.950 2.598 1.623 4.024 . 0 0 "[ . 1 . 2]" 1 552 1 46 THR MG 1 71 ARG HG3 5.230 . 5.750 3.467 1.769 4.853 . 0 0 "[ . 1 . 2]" 1 553 1 46 THR MG 1 72 CYS H 3.720 . 4.090 3.095 2.536 3.634 . 0 0 "[ . 1 . 2]" 1 554 1 47 TYR H 1 47 TYR QB 3.490 . 3.840 2.433 2.330 2.584 . 0 0 "[ . 1 . 2]" 1 555 1 47 TYR H 1 47 TYR QD 3.860 . 4.250 2.503 2.056 2.823 . 0 0 "[ . 1 . 2]" 1 556 1 47 TYR HA 1 47 TYR QD 3.900 . 4.290 2.958 2.782 3.135 . 0 0 "[ . 1 . 2]" 1 557 1 47 TYR HA 1 48 ARG H 3.130 . 3.440 2.345 2.217 2.473 . 0 0 "[ . 1 . 2]" 1 558 1 47 TYR HA 1 48 ARG QB 4.930 . 5.420 4.557 4.172 4.795 . 0 0 "[ . 1 . 2]" 1 559 1 47 TYR HA 1 49 ASP H 5.090 . 5.600 4.325 3.883 4.914 . 0 0 "[ . 1 . 2]" 1 560 1 47 TYR QB 1 48 ARG QB 5.100 . 5.610 4.201 3.623 4.920 . 0 0 "[ . 1 . 2]" 1 561 1 47 TYR QB 1 49 ASP H 3.750 . 4.130 2.808 2.544 3.258 . 0 0 "[ . 1 . 2]" 1 562 1 47 TYR QB 1 52 GLU HB3 4.100 . 4.510 2.552 2.122 3.163 . 0 0 "[ . 1 . 2]" 1 563 1 47 TYR QB 1 53 LEU H 4.230 . 4.650 3.236 2.876 3.783 . 0 0 "[ . 1 . 2]" 1 564 1 47 TYR QB 1 53 LEU HA 4.630 . 5.090 3.510 3.022 3.990 . 0 0 "[ . 1 . 2]" 1 565 1 47 TYR QB 1 53 LEU QB 5.180 . 5.700 2.686 2.302 3.265 . 0 0 "[ . 1 . 2]" 1 566 1 47 TYR QB 1 53 LEU QD 4.600 . 5.060 3.201 2.656 3.550 . 0 0 "[ . 1 . 2]" 1 567 1 47 TYR HB2 1 48 ARG H 4.340 . 4.770 3.804 3.548 4.074 . 0 0 "[ . 1 . 2]" 1 568 1 47 TYR HB2 1 49 ASP H 4.590 . 5.050 3.557 3.281 3.893 . 0 0 "[ . 1 . 2]" 1 569 1 47 TYR HB2 1 52 GLU HB3 4.690 . 5.160 3.779 3.304 4.483 . 0 0 "[ . 1 . 2]" 1 570 1 47 TYR HB3 1 48 ARG H 4.340 . 4.770 2.626 2.285 3.056 . 0 0 "[ . 1 . 2]" 1 571 1 47 TYR HB3 1 49 ASP H 4.590 . 5.050 2.948 2.616 3.495 . 0 0 "[ . 1 . 2]" 1 572 1 47 TYR HB3 1 52 GLU HB3 4.690 . 5.160 2.600 2.148 3.233 . 0 0 "[ . 1 . 2]" 1 573 1 47 TYR QD 1 48 ARG H 4.470 . 4.920 3.752 3.419 4.166 . 0 0 "[ . 1 . 2]" 1 574 1 47 TYR QD 1 52 GLU HB3 4.470 . 4.920 3.957 3.170 4.699 . 0 0 "[ . 1 . 2]" 1 575 1 47 TYR QD 1 52 GLU HG2 4.770 . 5.250 2.947 1.791 3.878 . 0 0 "[ . 1 . 2]" 1 576 1 47 TYR QD 1 52 GLU QG 4.110 . 4.520 2.355 1.763 3.079 . 0 0 "[ . 1 . 2]" 1 577 1 47 TYR QD 1 52 GLU HG3 4.770 . 5.250 2.827 1.800 4.649 . 0 0 "[ . 1 . 2]" 1 578 1 47 TYR QD 1 53 LEU H 5.500 . 6.050 4.459 3.696 5.348 . 0 0 "[ . 1 . 2]" 1 579 1 47 TYR QD 1 53 LEU HA 5.010 . 5.510 3.558 2.962 4.220 . 0 0 "[ . 1 . 2]" 1 580 1 47 TYR QD 1 53 LEU QD 4.180 . 4.600 2.512 2.066 3.172 . 0 0 "[ . 1 . 2]" 1 581 1 47 TYR QD 1 64 LEU QD 4.960 . 5.460 3.567 3.185 4.221 . 0 0 "[ . 1 . 2]" 1 582 1 48 ARG H 1 48 ARG HB2 4.020 . 4.420 2.768 2.144 3.658 . 0 0 "[ . 1 . 2]" 1 583 1 48 ARG H 1 48 ARG QB 3.240 . 3.560 2.478 2.096 2.668 . 0 0 "[ . 1 . 2]" 1 584 1 48 ARG H 1 48 ARG HB3 4.020 . 4.420 3.249 2.432 3.618 . 0 0 "[ . 1 . 2]" 1 585 1 48 ARG H 1 48 ARG HG2 4.540 . 4.990 2.788 1.768 4.496 . 0 0 "[ . 1 . 2]" 1 586 1 48 ARG H 1 48 ARG QG 3.950 . 4.350 2.434 1.762 3.978 . 0 0 "[ . 1 . 2]" 1 587 1 48 ARG H 1 48 ARG HG3 4.540 . 4.990 3.384 1.937 4.518 . 0 0 "[ . 1 . 2]" 1 588 1 48 ARG H 1 49 ASP H 3.700 . 4.070 2.794 2.475 3.080 . 0 0 "[ . 1 . 2]" 1 589 1 48 ARG H 1 52 GLU HB2 4.660 . 5.130 4.144 3.786 4.546 . 0 0 "[ . 1 . 2]" 1 590 1 48 ARG H 1 52 GLU HB3 4.400 . 4.840 3.498 3.262 4.004 . 0 0 "[ . 1 . 2]" 1 591 1 48 ARG H 1 52 GLU QG 4.500 . 4.950 2.817 1.947 4.003 . 0 0 "[ . 1 . 2]" 1 592 1 48 ARG HA 1 48 ARG HD2 5.500 . 6.050 3.860 2.030 5.545 . 0 0 "[ . 1 . 2]" 1 593 1 48 ARG HA 1 48 ARG QD 4.820 . 5.300 3.239 2.020 4.541 . 0 0 "[ . 1 . 2]" 1 594 1 48 ARG HA 1 48 ARG HD3 5.500 . 6.050 3.771 2.148 4.861 . 0 0 "[ . 1 . 2]" 1 595 1 48 ARG HA 1 48 ARG HG2 4.190 . 4.610 3.166 2.428 3.797 . 0 0 "[ . 1 . 2]" 1 596 1 48 ARG HA 1 48 ARG QG 3.610 . 3.970 2.880 2.352 3.471 . 0 0 "[ . 1 . 2]" 1 597 1 48 ARG HA 1 48 ARG HG3 4.190 . 4.610 3.490 2.382 4.237 . 0 0 "[ . 1 . 2]" 1 598 1 48 ARG QB 1 48 ARG QD 3.330 . 3.660 2.436 2.115 2.890 . 0 0 "[ . 1 . 2]" 1 599 1 48 ARG QB 1 49 ASP H 3.670 . 4.040 2.884 2.390 3.841 . 0 0 "[ . 1 . 2]" 1 600 1 48 ARG QB 1 52 GLU HB2 4.890 . 5.380 3.310 2.243 5.377 . 0 0 "[ . 1 . 2]" 1 601 1 48 ARG QB 1 52 GLU HB3 5.030 . 5.530 3.699 2.647 5.385 . 0 0 "[ . 1 . 2]" 1 602 1 48 ARG QB 1 52 GLU QG 4.760 . 5.240 3.305 2.098 4.702 . 0 0 "[ . 1 . 2]" 1 603 1 48 ARG HB2 1 49 ASP H 4.180 . 4.600 3.191 2.570 4.291 . 0 0 "[ . 1 . 2]" 1 604 1 48 ARG HB3 1 49 ASP H 4.180 . 4.600 3.704 2.414 4.334 . 0 0 "[ . 1 . 2]" 1 605 1 48 ARG QG 1 49 ASP H 4.390 . 4.830 3.734 2.233 4.549 . 0 0 "[ . 1 . 2]" 1 606 1 48 ARG QG 1 52 GLU HB2 4.460 . 4.910 4.001 2.199 4.927 0.017 7 0 "[ . 1 . 2]" 1 607 1 48 ARG QG 1 52 GLU HB3 5.340 . 5.870 4.295 2.763 5.201 . 0 0 "[ . 1 . 2]" 1 608 1 48 ARG QG 1 52 GLU QG 5.180 . 5.700 3.361 1.947 5.725 0.025 7 0 "[ . 1 . 2]" 1 609 1 49 ASP H 1 50 GLU H 4.740 . 5.210 4.373 4.313 4.403 . 0 0 "[ . 1 . 2]" 1 610 1 49 ASP H 1 52 GLU H 4.200 . 4.620 3.644 3.274 4.098 . 0 0 "[ . 1 . 2]" 1 611 1 49 ASP H 1 52 GLU HB2 3.610 . 3.970 3.122 2.624 3.814 . 0 0 "[ . 1 . 2]" 1 612 1 49 ASP H 1 52 GLU HB3 3.520 . 3.870 2.244 1.693 2.767 . 0 0 "[ . 1 . 2]" 1 613 1 49 ASP H 1 52 GLU QG 4.990 . 5.490 3.495 2.709 4.323 . 0 0 "[ . 1 . 2]" 1 614 1 49 ASP QB 1 50 GLU H 3.330 . 3.660 2.352 2.004 3.397 . 0 0 "[ . 1 . 2]" 1 615 1 49 ASP QB 1 51 CYS H 4.720 . 5.190 2.995 2.701 3.483 . 0 0 "[ . 1 . 2]" 1 616 1 49 ASP HB2 1 50 GLU H 4.130 . 4.540 2.423 2.017 3.921 . 0 0 "[ . 1 . 2]" 1 617 1 49 ASP HB3 1 50 GLU H 4.130 . 4.540 3.652 3.473 3.874 . 0 0 "[ . 1 . 2]" 1 618 1 50 GLU H 1 50 GLU HB2 3.730 . 4.100 2.451 2.086 2.568 . 0 0 "[ . 1 . 2]" 1 619 1 50 GLU H 1 50 GLU HB3 3.730 . 4.100 2.658 2.494 3.129 . 0 0 "[ . 1 . 2]" 1 620 1 50 GLU H 1 50 GLU QG 4.520 . 4.970 3.969 3.596 4.049 . 0 0 "[ . 1 . 2]" 1 621 1 50 GLU H 1 51 CYS H 3.790 . 4.170 2.726 2.555 2.965 . 0 0 "[ . 1 . 2]" 1 622 1 50 GLU H 1 52 GLU H 4.890 . 5.380 4.271 4.072 4.453 . 0 0 "[ . 1 . 2]" 1 623 1 50 GLU H 1 53 LEU H 5.130 . 5.640 4.863 4.627 5.148 . 0 0 "[ . 1 . 2]" 1 624 1 50 GLU HA 1 50 GLU QG 3.450 . 3.790 2.494 2.125 3.037 . 0 0 "[ . 1 . 2]" 1 625 1 50 GLU HA 1 53 LEU H 3.960 . 4.360 3.338 3.035 3.880 . 0 0 "[ . 1 . 2]" 1 626 1 50 GLU HA 1 53 LEU HB2 4.420 . 4.860 3.259 2.700 3.841 . 0 0 "[ . 1 . 2]" 1 627 1 50 GLU HA 1 53 LEU QB 3.540 . 3.890 2.646 2.232 3.182 . 0 0 "[ . 1 . 2]" 1 628 1 50 GLU HA 1 53 LEU HB3 4.420 . 4.860 2.813 2.338 3.417 . 0 0 "[ . 1 . 2]" 1 629 1 50 GLU HA 1 53 LEU MD1 4.950 . 5.440 3.793 3.248 4.892 . 0 0 "[ . 1 . 2]" 1 630 1 50 GLU HA 1 53 LEU MD2 4.950 . 5.440 4.202 3.085 4.768 . 0 0 "[ . 1 . 2]" 1 631 1 50 GLU QB 1 51 CYS H 3.950 . 4.350 2.720 2.474 2.933 . 0 0 "[ . 1 . 2]" 1 632 1 50 GLU HB2 1 51 CYS H 4.570 . 5.030 3.910 3.319 4.077 . 0 0 "[ . 1 . 2]" 1 633 1 50 GLU HB3 1 51 CYS H 4.570 . 5.030 2.778 2.504 3.009 . 0 0 "[ . 1 . 2]" 1 634 1 50 GLU QG 1 51 CYS HA 4.820 . 5.300 4.043 3.429 5.435 0.135 2 0 "[ . 1 . 2]" 1 635 1 50 GLU QG 1 53 LEU QB 4.500 . 4.950 3.508 2.825 4.442 . 0 0 "[ . 1 . 2]" 1 636 1 50 GLU QG 1 66 VAL QG 3.860 . 4.250 2.963 1.732 4.256 0.006 16 0 "[ . 1 . 2]" 1 637 1 51 CYS H 1 51 CYS HB2 3.620 . 3.980 2.535 2.398 2.735 . 0 0 "[ . 1 . 2]" 1 638 1 51 CYS H 1 51 CYS QB 3.070 . 3.380 2.340 2.228 2.650 . 0 0 "[ . 1 . 2]" 1 639 1 51 CYS H 1 51 CYS HB3 3.620 . 3.980 2.866 2.447 3.631 . 0 0 "[ . 1 . 2]" 1 640 1 51 CYS QB 1 52 GLU H 3.520 . 3.870 2.582 2.372 2.764 . 0 0 "[ . 1 . 2]" 1 641 1 51 CYS HB2 1 52 GLU H 4.310 . 4.740 3.551 2.562 4.024 . 0 0 "[ . 1 . 2]" 1 642 1 51 CYS HB3 1 52 GLU H 4.310 . 4.740 2.896 2.402 3.895 . 0 0 "[ . 1 . 2]" 1 643 1 52 GLU H 1 52 GLU HB2 3.440 . 3.780 2.510 2.360 2.659 . 0 0 "[ . 1 . 2]" 1 644 1 52 GLU H 1 52 GLU HB3 4.000 . 4.400 2.528 2.419 2.639 . 0 0 "[ . 1 . 2]" 1 645 1 52 GLU H 1 52 GLU HG2 5.290 . 5.820 4.558 4.416 4.620 . 0 0 "[ . 1 . 2]" 1 646 1 52 GLU H 1 52 GLU QG 4.520 . 4.970 4.024 3.977 4.068 . 0 0 "[ . 1 . 2]" 1 647 1 52 GLU H 1 52 GLU HG3 5.290 . 5.820 4.480 4.407 4.538 . 0 0 "[ . 1 . 2]" 1 648 1 52 GLU H 1 53 LEU H 3.580 . 3.940 2.752 2.553 2.946 . 0 0 "[ . 1 . 2]" 1 649 1 52 GLU HA 1 52 GLU HG2 4.150 . 4.570 3.654 3.159 3.849 . 0 0 "[ . 1 . 2]" 1 650 1 52 GLU HA 1 52 GLU QG 3.630 . 3.990 2.838 2.467 3.072 . 0 0 "[ . 1 . 2]" 1 651 1 52 GLU HA 1 52 GLU HG3 4.150 . 4.570 2.959 2.565 3.229 . 0 0 "[ . 1 . 2]" 1 652 1 52 GLU HA 1 55 ALA H 4.140 . 4.550 3.508 3.191 3.871 . 0 0 "[ . 1 . 2]" 1 653 1 52 GLU HA 1 55 ALA MB 3.390 . 3.730 2.629 2.300 3.051 . 0 0 "[ . 1 . 2]" 1 654 1 52 GLU HB2 1 53 LEU H 4.110 . 4.520 3.837 3.572 4.025 . 0 0 "[ . 1 . 2]" 1 655 1 52 GLU HB3 1 53 LEU H 4.040 . 4.440 2.515 2.188 2.758 . 0 0 "[ . 1 . 2]" 1 656 1 52 GLU HB3 1 53 LEU QB 5.340 . 5.870 4.000 3.769 4.177 . 0 0 "[ . 1 . 2]" 1 657 1 52 GLU QG 1 53 LEU H 5.340 . 5.870 3.549 3.336 3.771 . 0 0 "[ . 1 . 2]" 1 658 1 52 GLU QG 1 53 LEU HA 4.500 . 4.950 3.704 3.491 3.966 . 0 0 "[ . 1 . 2]" 1 659 1 52 GLU QG 1 55 ALA MB 4.780 . 5.260 4.006 3.437 4.688 . 0 0 "[ . 1 . 2]" 1 660 1 52 GLU HG2 1 55 ALA MB 5.450 . 6.000 5.140 4.196 6.001 0.001 5 0 "[ . 1 . 2]" 1 661 1 52 GLU HG3 1 55 ALA MB 5.450 . 6.000 4.189 3.627 4.894 . 0 0 "[ . 1 . 2]" 1 662 1 53 LEU H 1 53 LEU HB2 3.460 . 3.810 2.426 2.264 2.524 . 0 0 "[ . 1 . 2]" 1 663 1 53 LEU H 1 53 LEU HB3 3.460 . 3.810 2.571 2.479 2.775 . 0 0 "[ . 1 . 2]" 1 664 1 53 LEU H 1 53 LEU MD1 4.560 . 5.020 4.206 4.076 4.321 . 0 0 "[ . 1 . 2]" 1 665 1 53 LEU H 1 53 LEU MD2 4.560 . 5.020 4.206 3.838 4.262 . 0 0 "[ . 1 . 2]" 1 666 1 53 LEU H 1 54 ARG H 3.810 . 4.190 2.789 2.621 2.958 . 0 0 "[ . 1 . 2]" 1 667 1 53 LEU H 1 55 ALA H 4.820 . 5.300 4.091 3.826 4.418 . 0 0 "[ . 1 . 2]" 1 668 1 53 LEU HA 1 53 LEU MD1 4.080 . 4.490 3.477 2.157 3.756 . 0 0 "[ . 1 . 2]" 1 669 1 53 LEU HA 1 53 LEU QD 3.540 . 3.890 2.888 1.896 3.096 . 0 0 "[ . 1 . 2]" 1 670 1 53 LEU HA 1 53 LEU MD2 4.080 . 4.490 3.241 1.926 3.950 . 0 0 "[ . 1 . 2]" 1 671 1 53 LEU HA 1 53 LEU HG 3.700 . 4.070 2.644 2.478 3.724 . 0 0 "[ . 1 . 2]" 1 672 1 53 LEU HA 1 56 ALA H 4.200 . 4.620 3.434 2.895 3.857 . 0 0 "[ . 1 . 2]" 1 673 1 53 LEU HA 1 56 ALA MB 3.630 . 3.990 2.624 2.154 3.047 . 0 0 "[ . 1 . 2]" 1 674 1 53 LEU HA 1 57 ARG H 5.500 . 6.050 4.217 3.925 4.547 . 0 0 "[ . 1 . 2]" 1 675 1 53 LEU HA 1 64 LEU QD 4.130 . 4.540 3.007 2.427 3.648 . 0 0 "[ . 1 . 2]" 1 676 1 53 LEU QB 1 53 LEU QD 2.740 . 3.010 1.928 1.905 2.071 . 0 0 "[ . 1 . 2]" 1 677 1 53 LEU QB 1 54 ARG H 3.750 . 4.130 2.414 2.230 2.609 . 0 0 "[ . 1 . 2]" 1 678 1 53 LEU HB2 1 54 ARG H 4.360 . 4.800 3.757 3.600 3.868 . 0 0 "[ . 1 . 2]" 1 679 1 53 LEU HB3 1 54 ARG H 4.360 . 4.800 2.444 2.251 2.652 . 0 0 "[ . 1 . 2]" 1 680 1 53 LEU QD 1 54 ARG H 4.060 . 4.470 3.151 2.842 3.628 . 0 0 "[ . 1 . 2]" 1 681 1 53 LEU QD 1 54 ARG HA 3.660 . 4.030 2.951 2.567 4.052 0.022 4 0 "[ . 1 . 2]" 1 682 1 53 LEU QD 1 54 ARG QB 5.280 . 5.810 4.051 3.377 4.585 . 0 0 "[ . 1 . 2]" 1 683 1 53 LEU QD 1 54 ARG QD 4.950 . 5.440 4.115 1.978 5.471 0.031 18 0 "[ . 1 . 2]" 1 684 1 53 LEU QD 1 54 ARG QG 4.060 . 4.470 3.417 2.443 4.522 0.052 15 0 "[ . 1 . 2]" 1 685 1 53 LEU QD 1 56 ALA MB 4.310 . 4.740 3.708 2.494 4.201 . 0 0 "[ . 1 . 2]" 1 686 1 53 LEU QD 1 57 ARG H 4.660 . 5.130 3.808 3.506 4.522 . 0 0 "[ . 1 . 2]" 1 687 1 53 LEU QD 1 57 ARG QB 5.280 . 5.810 3.178 2.596 4.233 . 0 0 "[ . 1 . 2]" 1 688 1 53 LEU QD 1 64 LEU QD 3.180 . 3.500 2.307 1.767 2.737 . 0 0 "[ . 1 . 2]" 1 689 1 53 LEU QD 1 64 LEU HG 3.820 . 4.200 2.518 2.086 4.210 0.010 11 0 "[ . 1 . 2]" 1 690 1 53 LEU QD 1 65 SER HA 3.840 . 4.220 2.855 1.802 3.852 . 0 0 "[ . 1 . 2]" 1 691 1 53 LEU QD 1 66 VAL H 3.930 . 4.320 3.080 2.470 3.720 . 0 0 "[ . 1 . 2]" 1 692 1 53 LEU QD 1 66 VAL HA 3.760 . 4.140 2.404 2.025 3.012 . 0 0 "[ . 1 . 2]" 1 693 1 53 LEU QD 1 66 VAL HB 4.900 . 5.390 2.715 1.782 4.266 . 0 0 "[ . 1 . 2]" 1 694 1 53 LEU QD 1 66 VAL QG 2.950 . 3.250 2.233 1.580 2.749 . 0 0 "[ . 1 . 2]" 1 695 1 53 LEU MD1 1 64 LEU HG 4.470 . 4.920 3.386 2.194 4.915 . 0 0 "[ . 1 . 2]" 1 696 1 53 LEU MD1 1 66 VAL HA 4.320 . 4.750 2.596 2.061 3.932 . 0 0 "[ . 1 . 2]" 1 697 1 53 LEU MD2 1 64 LEU HG 4.470 . 4.920 2.807 2.116 4.847 . 0 0 "[ . 1 . 2]" 1 698 1 53 LEU MD2 1 66 VAL HA 4.320 . 4.750 3.522 2.139 4.079 . 0 0 "[ . 1 . 2]" 1 699 1 53 LEU HG 1 56 ALA MB 5.350 . 5.890 3.945 3.097 5.022 . 0 0 "[ . 1 . 2]" 1 700 1 53 LEU HG 1 64 LEU QD 4.220 . 4.640 2.360 1.771 4.141 . 0 0 "[ . 1 . 2]" 1 701 1 53 LEU HG 1 66 VAL QG 4.690 . 5.160 4.451 1.776 5.141 . 0 0 "[ . 1 . 2]" 1 702 1 54 ARG H 1 54 ARG HB2 3.920 . 4.310 2.476 2.056 2.893 . 0 0 "[ . 1 . 2]" 1 703 1 54 ARG H 1 54 ARG QB 3.200 . 3.520 2.392 2.031 2.782 . 0 0 "[ . 1 . 2]" 1 704 1 54 ARG H 1 54 ARG HB3 3.920 . 4.310 3.370 2.311 3.614 . 0 0 "[ . 1 . 2]" 1 705 1 54 ARG H 1 54 ARG QD 4.730 . 5.200 3.684 2.056 4.991 . 0 0 "[ . 1 . 2]" 1 706 1 54 ARG H 1 54 ARG QG 3.830 . 4.210 2.677 1.968 3.966 . 0 0 "[ . 1 . 2]" 1 707 1 54 ARG H 1 55 ALA H 3.710 . 4.080 2.721 2.590 2.871 . 0 0 "[ . 1 . 2]" 1 708 1 54 ARG H 1 55 ALA MB 4.650 . 5.120 4.401 4.295 4.501 . 0 0 "[ . 1 . 2]" 1 709 1 54 ARG HA 1 54 ARG QD 4.840 . 5.320 3.672 2.092 4.267 . 0 0 "[ . 1 . 2]" 1 710 1 54 ARG HA 1 54 ARG HG2 3.920 . 4.310 2.911 2.451 3.713 . 0 0 "[ . 1 . 2]" 1 711 1 54 ARG HA 1 54 ARG QG 3.360 . 3.700 2.537 2.322 3.282 . 0 0 "[ . 1 . 2]" 1 712 1 54 ARG HA 1 54 ARG HG3 3.920 . 4.310 2.994 2.424 3.860 . 0 0 "[ . 1 . 2]" 1 713 1 54 ARG HA 1 57 ARG H 4.480 . 4.930 3.492 2.900 3.977 . 0 0 "[ . 1 . 2]" 1 714 1 54 ARG HA 1 57 ARG QB 3.940 . 4.330 2.746 2.175 3.635 . 0 0 "[ . 1 . 2]" 1 715 1 54 ARG HA 1 57 ARG QD 5.340 . 5.870 3.756 2.489 5.632 . 0 0 "[ . 1 . 2]" 1 716 1 54 ARG QB 1 54 ARG QD 3.300 . 3.630 2.358 2.101 2.841 . 0 0 "[ . 1 . 2]" 1 717 1 54 ARG QB 1 55 ALA H 3.790 . 4.170 2.715 2.328 3.101 . 0 0 "[ . 1 . 2]" 1 718 1 54 ARG QB 1 55 ALA HA 4.720 . 5.190 4.079 3.890 4.503 . 0 0 "[ . 1 . 2]" 1 719 1 54 ARG HB2 1 55 ALA HA 5.500 . 6.050 4.772 4.129 5.756 . 0 0 "[ . 1 . 2]" 1 720 1 54 ARG HB3 1 55 ALA HA 5.500 . 6.050 4.545 4.199 4.936 . 0 0 "[ . 1 . 2]" 1 721 1 55 ALA H 1 55 ALA MB 3.090 . 3.400 2.252 2.235 2.294 . 0 0 "[ . 1 . 2]" 1 722 1 55 ALA H 1 56 ALA H 3.610 . 3.970 2.650 2.337 2.822 . 0 0 "[ . 1 . 2]" 1 723 1 55 ALA H 1 57 ARG H 4.450 . 4.890 4.037 3.771 4.279 . 0 0 "[ . 1 . 2]" 1 724 1 55 ALA HA 1 57 ARG QB 5.340 . 5.870 4.736 4.116 5.698 . 0 0 "[ . 1 . 2]" 1 725 1 55 ALA HA 1 58 CYS H 4.810 . 5.290 3.476 3.137 3.839 . 0 0 "[ . 1 . 2]" 1 726 1 55 ALA HA 1 58 CYS QB 3.990 . 4.390 3.001 2.438 3.777 . 0 0 "[ . 1 . 2]" 1 727 1 55 ALA MB 1 56 ALA H 3.480 . 3.830 2.476 2.215 2.746 . 0 0 "[ . 1 . 2]" 1 728 1 55 ALA MB 1 58 CYS H 5.500 . 6.050 4.586 4.381 4.781 . 0 0 "[ . 1 . 2]" 1 729 1 55 ALA MB 1 58 CYS QB 5.030 . 5.530 4.078 3.648 4.480 . 0 0 "[ . 1 . 2]" 1 730 1 56 ALA H 1 56 ALA MB 2.980 . 3.280 2.239 2.228 2.256 . 0 0 "[ . 1 . 2]" 1 731 1 56 ALA H 1 57 ARG H 3.640 . 4.000 2.722 2.555 2.828 . 0 0 "[ . 1 . 2]" 1 732 1 56 ALA H 1 64 LEU QD 4.710 . 5.180 4.149 3.765 4.996 . 0 0 "[ . 1 . 2]" 1 733 1 56 ALA HA 1 59 ARG H 4.140 . 4.550 3.254 2.944 3.668 . 0 0 "[ . 1 . 2]" 1 734 1 56 ALA HA 1 59 ARG HB2 4.400 . 4.840 2.963 1.885 4.116 . 0 0 "[ . 1 . 2]" 1 735 1 56 ALA HA 1 59 ARG QB 3.710 . 4.080 2.364 1.573 3.091 . 0 0 "[ . 1 . 2]" 1 736 1 56 ALA HA 1 59 ARG HB3 4.400 . 4.840 2.875 1.577 4.344 . 0 0 "[ . 1 . 2]" 1 737 1 56 ALA HA 1 59 ARG QD 5.000 . 5.500 4.046 2.016 5.404 . 0 0 "[ . 1 . 2]" 1 738 1 56 ALA HA 1 59 ARG QG 4.450 . 4.890 3.709 2.229 4.950 0.060 3 0 "[ . 1 . 2]" 1 739 1 56 ALA HA 1 64 LEU QD 5.440 . 5.980 4.352 3.875 5.238 . 0 0 "[ . 1 . 2]" 1 740 1 56 ALA MB 1 57 ARG H 3.540 . 3.890 2.649 2.504 2.910 . 0 0 "[ . 1 . 2]" 1 741 1 56 ALA MB 1 58 CYS H 4.820 . 5.300 4.645 4.314 4.835 . 0 0 "[ . 1 . 2]" 1 742 1 56 ALA MB 1 59 ARG HB2 5.110 . 5.620 4.389 3.431 5.495 . 0 0 "[ . 1 . 2]" 1 743 1 56 ALA MB 1 59 ARG QB 4.300 . 4.730 3.627 3.269 4.256 . 0 0 "[ . 1 . 2]" 1 744 1 56 ALA MB 1 59 ARG HB3 5.110 . 5.620 4.111 3.355 5.210 . 0 0 "[ . 1 . 2]" 1 745 1 56 ALA MB 1 59 ARG QG 5.340 . 5.870 4.630 3.749 5.722 . 0 0 "[ . 1 . 2]" 1 746 1 56 ALA MB 1 64 LEU QD 3.290 . 3.620 2.241 1.895 2.886 . 0 0 "[ . 1 . 2]" 1 747 1 57 ARG H 1 57 ARG HB2 3.650 . 4.020 2.628 2.349 3.618 . 0 0 "[ . 1 . 2]" 1 748 1 57 ARG H 1 57 ARG HB3 3.650 . 4.020 2.573 2.375 3.610 . 0 0 "[ . 1 . 2]" 1 749 1 57 ARG H 1 57 ARG QD 5.340 . 5.870 4.395 3.990 4.751 . 0 0 "[ . 1 . 2]" 1 750 1 57 ARG H 1 58 CYS H 3.720 . 4.090 2.782 2.634 2.983 . 0 0 "[ . 1 . 2]" 1 751 1 57 ARG H 1 64 LEU QD 4.080 . 4.490 2.975 2.370 4.102 . 0 0 "[ . 1 . 2]" 1 752 1 57 ARG HA 1 57 ARG HG2 4.020 . 4.420 3.141 2.415 3.886 . 0 0 "[ . 1 . 2]" 1 753 1 57 ARG HA 1 57 ARG QG 3.460 . 3.810 2.624 2.383 3.345 . 0 0 "[ . 1 . 2]" 1 754 1 57 ARG HA 1 57 ARG HG3 4.020 . 4.420 2.971 2.498 3.671 . 0 0 "[ . 1 . 2]" 1 755 1 57 ARG HA 1 61 HIS H 4.030 . 4.430 3.251 2.620 3.985 . 0 0 "[ . 1 . 2]" 1 756 1 57 ARG HA 1 61 HIS HB2 4.170 . 4.590 2.694 1.804 4.602 0.012 2 0 "[ . 1 . 2]" 1 757 1 57 ARG HA 1 61 HIS QB 3.400 . 3.740 2.548 1.789 3.699 . 0 0 "[ . 1 . 2]" 1 758 1 57 ARG HA 1 61 HIS HB3 4.170 . 4.590 3.636 2.918 4.652 0.062 3 0 "[ . 1 . 2]" 1 759 1 57 ARG HA 1 64 LEU QD 4.390 . 4.830 3.107 2.412 4.382 . 0 0 "[ . 1 . 2]" 1 760 1 57 ARG QB 1 57 ARG QD 3.260 . 3.590 2.268 2.115 2.737 . 0 0 "[ . 1 . 2]" 1 761 1 57 ARG QB 1 58 CYS H 3.550 . 3.900 2.567 2.295 3.678 . 0 0 "[ . 1 . 2]" 1 762 1 57 ARG HB2 1 58 CYS H 4.230 . 4.650 3.781 2.516 4.257 . 0 0 "[ . 1 . 2]" 1 763 1 57 ARG HB3 1 58 CYS H 4.230 . 4.650 2.689 2.321 4.022 . 0 0 "[ . 1 . 2]" 1 764 1 57 ARG QD 1 62 PRO HA 4.200 . 4.620 3.894 2.044 4.654 0.034 1 0 "[ . 1 . 2]" 1 765 1 57 ARG QG 1 58 CYS H 5.340 . 5.870 3.489 2.327 4.207 . 0 0 "[ . 1 . 2]" 1 766 1 57 ARG QG 1 62 PRO HA 3.880 . 4.270 2.975 1.948 4.299 0.029 16 0 "[ . 1 . 2]" 1 767 1 58 CYS H 1 58 CYS HB2 3.590 . 3.950 2.583 2.263 2.812 . 0 0 "[ . 1 . 2]" 1 768 1 58 CYS H 1 58 CYS HB3 3.590 . 3.950 2.829 2.327 3.644 . 0 0 "[ . 1 . 2]" 1 769 1 58 CYS H 1 59 ARG H 3.740 . 4.110 2.580 2.392 2.792 . 0 0 "[ . 1 . 2]" 1 770 1 58 CYS HB2 1 59 ARG H 4.230 . 4.650 3.853 2.861 4.274 . 0 0 "[ . 1 . 2]" 1 771 1 58 CYS HB3 1 59 ARG H 4.230 . 4.650 3.298 2.553 4.369 . 0 0 "[ . 1 . 2]" 1 772 1 59 ARG H 1 59 ARG HB2 4.000 . 4.400 2.568 2.310 2.867 . 0 0 "[ . 1 . 2]" 1 773 1 59 ARG H 1 59 ARG QB 3.450 . 3.790 2.303 2.149 2.503 . 0 0 "[ . 1 . 2]" 1 774 1 59 ARG H 1 59 ARG HB3 4.000 . 4.400 2.817 2.224 3.668 . 0 0 "[ . 1 . 2]" 1 775 1 59 ARG H 1 59 ARG QG 4.430 . 4.870 3.655 2.208 4.163 . 0 0 "[ . 1 . 2]" 1 776 1 59 ARG H 1 60 GLY H 4.520 . 4.970 3.118 2.402 3.974 . 0 0 "[ . 1 . 2]" 1 777 1 59 ARG H 1 61 HIS H 4.730 . 5.200 3.862 3.222 4.243 . 0 0 "[ . 1 . 2]" 1 778 1 59 ARG HA 1 59 ARG HD2 4.860 . 5.350 3.748 1.951 4.968 . 0 0 "[ . 1 . 2]" 1 779 1 59 ARG HA 1 59 ARG QD 4.220 . 4.640 3.213 1.915 4.266 . 0 0 "[ . 1 . 2]" 1 780 1 59 ARG HA 1 59 ARG HD3 4.860 . 5.350 3.754 1.931 4.925 . 0 0 "[ . 1 . 2]" 1 781 1 59 ARG HA 1 59 ARG HG2 4.050 . 4.460 3.206 2.449 3.802 . 0 0 "[ . 1 . 2]" 1 782 1 59 ARG HA 1 59 ARG QG 3.410 . 3.750 2.642 2.339 3.032 . 0 0 "[ . 1 . 2]" 1 783 1 59 ARG HA 1 59 ARG HG3 4.050 . 4.460 2.971 2.554 3.744 . 0 0 "[ . 1 . 2]" 1 784 1 59 ARG QB 1 59 ARG QD 3.240 . 3.560 2.310 2.072 2.709 . 0 0 "[ . 1 . 2]" 1 785 1 61 HIS H 1 61 HIS HB2 4.180 . 4.600 2.706 2.529 3.101 . 0 0 "[ . 1 . 2]" 1 786 1 61 HIS H 1 61 HIS QB 3.530 . 3.880 2.633 2.489 2.743 . 0 0 "[ . 1 . 2]" 1 787 1 61 HIS H 1 61 HIS HB3 4.180 . 4.600 3.755 2.842 3.871 . 0 0 "[ . 1 . 2]" 1 788 1 61 HIS H 1 62 PRO HD2 4.740 . 5.210 4.458 4.019 4.921 . 0 0 "[ . 1 . 2]" 1 789 1 61 HIS H 1 62 PRO QD 4.080 . 4.490 3.261 2.950 3.748 . 0 0 "[ . 1 . 2]" 1 790 1 61 HIS H 1 62 PRO HD3 4.740 . 5.210 3.367 2.994 4.034 . 0 0 "[ . 1 . 2]" 1 791 1 61 HIS HA 1 62 PRO HD2 3.520 . 3.870 2.401 1.970 2.727 . 0 0 "[ . 1 . 2]" 1 792 1 61 HIS HA 1 62 PRO QD 3.010 . 3.310 2.124 1.931 2.262 . 0 0 "[ . 1 . 2]" 1 793 1 61 HIS HA 1 62 PRO HD3 3.520 . 3.870 2.553 2.076 2.979 . 0 0 "[ . 1 . 2]" 1 794 1 61 HIS HA 1 63 ASP H 4.660 . 5.130 3.420 3.131 3.825 . 0 0 "[ . 1 . 2]" 1 795 1 61 HIS QB 1 64 LEU H 4.230 . 4.650 3.051 2.359 4.434 . 0 0 "[ . 1 . 2]" 1 796 1 61 HIS QB 1 64 LEU QB 3.600 . 3.960 2.119 1.613 3.549 . 0 0 "[ . 1 . 2]" 1 797 1 61 HIS QB 1 64 LEU QD 3.730 . 4.100 2.713 2.165 3.791 . 0 0 "[ . 1 . 2]" 1 798 1 62 PRO HA 1 64 LEU H 4.680 . 5.150 3.831 3.360 4.036 . 0 0 "[ . 1 . 2]" 1 799 1 62 PRO QB 1 63 ASP H 4.030 . 4.430 3.148 2.569 3.475 . 0 0 "[ . 1 . 2]" 1 800 1 62 PRO QD 1 63 ASP H 4.020 . 4.420 2.635 2.285 2.883 . 0 0 "[ . 1 . 2]" 1 801 1 62 PRO QG 1 63 ASP H 3.820 . 4.200 3.392 2.456 4.109 . 0 0 "[ . 1 . 2]" 1 802 1 62 PRO HG2 1 63 ASP H 4.430 . 4.870 3.592 2.479 4.494 . 0 0 "[ . 1 . 2]" 1 803 1 62 PRO HG3 1 63 ASP H 4.430 . 4.870 4.415 3.982 4.755 . 0 0 "[ . 1 . 2]" 1 804 1 63 ASP H 1 63 ASP HB2 4.200 . 4.620 2.683 2.491 3.617 . 0 0 "[ . 1 . 2]" 1 805 1 63 ASP H 1 63 ASP QB 3.490 . 3.840 2.499 2.244 2.726 . 0 0 "[ . 1 . 2]" 1 806 1 63 ASP H 1 63 ASP HB3 4.200 . 4.620 3.369 2.410 3.727 . 0 0 "[ . 1 . 2]" 1 807 1 63 ASP H 1 64 LEU H 3.380 . 3.720 2.521 2.368 2.685 . 0 0 "[ . 1 . 2]" 1 808 1 63 ASP HB2 1 64 LEU H 5.500 . 6.050 3.623 3.103 4.297 . 0 0 "[ . 1 . 2]" 1 809 1 63 ASP HB3 1 64 LEU H 5.500 . 6.050 4.137 3.077 4.480 . 0 0 "[ . 1 . 2]" 1 810 1 64 LEU H 1 64 LEU HB2 3.490 . 3.840 2.528 2.133 2.656 . 0 0 "[ . 1 . 2]" 1 811 1 64 LEU H 1 64 LEU HB3 3.490 . 3.840 2.543 2.414 2.994 . 0 0 "[ . 1 . 2]" 1 812 1 64 LEU H 1 64 LEU MD1 4.430 . 4.870 4.152 4.063 4.316 . 0 0 "[ . 1 . 2]" 1 813 1 64 LEU H 1 64 LEU QD 3.890 . 4.280 3.736 3.577 3.813 . 0 0 "[ . 1 . 2]" 1 814 1 64 LEU H 1 64 LEU MD2 4.430 . 4.870 4.248 3.820 4.310 . 0 0 "[ . 1 . 2]" 1 815 1 64 LEU H 1 64 LEU HG 4.730 . 5.200 4.467 4.043 4.619 . 0 0 "[ . 1 . 2]" 1 816 1 64 LEU HA 1 64 LEU QD 3.410 . 3.750 2.097 1.899 2.863 . 0 0 "[ . 1 . 2]" 1 817 1 64 LEU HA 1 65 SER H 3.250 . 3.580 2.146 2.106 2.180 . 0 0 "[ . 1 . 2]" 1 818 1 64 LEU QD 1 65 SER H 4.680 . 5.150 2.591 2.201 2.893 . 0 0 "[ . 1 . 2]" 1 819 1 64 LEU HG 1 65 SER H 5.070 . 5.580 3.622 3.144 5.092 . 0 0 "[ . 1 . 2]" 1 820 1 65 SER H 1 65 SER QB 3.520 . 3.870 2.728 2.490 3.078 . 0 0 "[ . 1 . 2]" 1 821 1 65 SER HA 1 66 VAL H 3.200 . 3.520 2.392 2.223 2.486 . 0 0 "[ . 1 . 2]" 1 822 1 65 SER QB 1 66 VAL H 3.330 . 3.660 2.519 2.366 2.932 . 0 0 "[ . 1 . 2]" 1 823 1 65 SER QB 1 66 VAL HB 4.980 . 5.480 4.877 4.254 5.349 . 0 0 "[ . 1 . 2]" 1 824 1 65 SER QB 1 66 VAL QG 4.870 . 5.360 3.755 3.471 4.083 . 0 0 "[ . 1 . 2]" 1 825 1 65 SER HB2 1 66 VAL H 3.850 . 4.230 3.499 2.459 3.883 . 0 0 "[ . 1 . 2]" 1 826 1 65 SER HB3 1 66 VAL H 3.850 . 4.230 2.815 2.398 4.042 . 0 0 "[ . 1 . 2]" 1 827 1 66 VAL H 1 66 VAL HB 3.150 . 3.470 2.714 2.482 2.957 . 0 0 "[ . 1 . 2]" 1 828 1 66 VAL H 1 66 VAL MG1 3.950 . 4.350 2.591 1.848 3.821 . 0 0 "[ . 1 . 2]" 1 829 1 66 VAL H 1 66 VAL QG 3.110 . 3.420 2.014 1.844 2.274 . 0 0 "[ . 1 . 2]" 1 830 1 66 VAL H 1 66 VAL MG2 3.950 . 4.350 3.245 2.109 3.852 . 0 0 "[ . 1 . 2]" 1 831 1 66 VAL HA 1 66 VAL MG1 3.470 . 3.820 2.937 2.378 3.228 . 0 0 "[ . 1 . 2]" 1 832 1 66 VAL HA 1 66 VAL MG2 3.470 . 3.820 2.405 2.355 2.464 . 0 0 "[ . 1 . 2]" 1 833 1 66 VAL HA 1 67 MET H 3.070 . 3.380 2.172 2.146 2.194 . 0 0 "[ . 1 . 2]" 1 834 1 66 VAL HA 1 67 MET QB 4.840 . 5.320 4.392 4.293 4.458 . 0 0 "[ . 1 . 2]" 1 835 1 66 VAL HA 1 68 TYR H 4.450 . 4.890 4.167 3.844 4.456 . 0 0 "[ . 1 . 2]" 1 836 1 66 VAL HB 1 67 MET H 4.840 . 5.320 4.267 4.185 4.374 . 0 0 "[ . 1 . 2]" 1 837 1 66 VAL HB 1 68 TYR H 5.500 . 6.050 5.402 4.843 6.066 0.016 2 0 "[ . 1 . 2]" 1 838 1 66 VAL QG 1 67 MET H 3.570 . 3.930 2.780 2.533 3.012 . 0 0 "[ . 1 . 2]" 1 839 1 66 VAL QG 1 67 MET QB 4.670 . 5.140 3.988 3.759 4.260 . 0 0 "[ . 1 . 2]" 1 840 1 66 VAL QG 1 68 TYR H 3.350 . 3.690 2.809 2.377 3.448 . 0 0 "[ . 1 . 2]" 1 841 1 66 VAL QG 1 68 TYR HA 4.030 . 4.430 3.200 2.894 3.661 . 0 0 "[ . 1 . 2]" 1 842 1 66 VAL QG 1 69 ARG H 4.480 . 4.930 4.046 3.462 4.411 . 0 0 "[ . 1 . 2]" 1 843 1 66 VAL QG 1 69 ARG QG 4.000 . 4.400 3.167 2.162 3.919 . 0 0 "[ . 1 . 2]" 1 844 1 66 VAL MG1 1 67 MET H 4.350 . 4.790 3.679 2.756 4.271 . 0 0 "[ . 1 . 2]" 1 845 1 66 VAL MG2 1 67 MET H 4.350 . 4.790 3.263 2.565 4.234 . 0 0 "[ . 1 . 2]" 1 846 1 67 MET H 1 67 MET QG 4.090 . 4.500 2.558 2.268 2.885 . 0 0 "[ . 1 . 2]" 1 847 1 67 MET H 1 68 TYR H 3.270 . 3.600 2.559 2.437 2.851 . 0 0 "[ . 1 . 2]" 1 848 1 67 MET HA 1 67 MET ME 4.460 . 4.910 3.967 1.670 4.603 . 0 0 "[ . 1 . 2]" 1 849 1 67 MET HA 1 67 MET HG2 4.170 . 4.590 2.694 2.426 3.085 . 0 0 "[ . 1 . 2]" 1 850 1 67 MET HA 1 67 MET QG 3.590 . 3.950 2.586 2.348 2.948 . 0 0 "[ . 1 . 2]" 1 851 1 67 MET HA 1 67 MET HG3 4.170 . 4.590 3.340 2.963 3.807 . 0 0 "[ . 1 . 2]" 1 852 1 67 MET QB 1 67 MET ME 3.930 . 4.320 3.237 2.000 3.710 . 0 0 "[ . 1 . 2]" 1 853 1 67 MET QB 1 68 TYR H 3.900 . 4.130 2.350 2.168 2.564 . 0 0 "[ . 1 . 2]" 1 854 1 67 MET QB 1 68 TYR QD 3.790 . 4.170 2.316 2.020 2.631 . 0 0 "[ . 1 . 2]" 1 855 1 67 MET QB 1 68 TYR QE 4.610 . 5.070 3.149 2.862 3.602 . 0 0 "[ . 1 . 2]" 1 856 1 67 MET QG 1 68 TYR H 5.340 . 5.870 4.045 3.887 4.134 . 0 0 "[ . 1 . 2]" 1 857 1 68 TYR H 1 68 TYR QD 4.790 . 5.270 3.238 2.905 3.468 . 0 0 "[ . 1 . 2]" 1 858 1 68 TYR HA 1 69 ARG H 3.430 . 3.770 2.360 2.229 2.558 . 0 0 "[ . 1 . 2]" 1 859 1 68 TYR QB 1 69 ARG H 3.380 . 3.720 2.534 2.175 2.907 . 0 0 "[ . 1 . 2]" 1 860 1 68 TYR HB2 1 69 ARG H 4.120 . 4.530 2.577 2.193 2.997 . 0 0 "[ . 1 . 2]" 1 861 1 68 TYR HB3 1 69 ARG H 4.120 . 4.530 3.777 3.590 3.998 . 0 0 "[ . 1 . 2]" 1 862 1 68 TYR QD 1 69 ARG H 4.510 . 4.960 3.689 3.178 4.290 . 0 0 "[ . 1 . 2]" 1 863 1 68 TYR QE 1 72 CYS HA 3.650 . 4.020 2.673 1.901 3.828 . 0 0 "[ . 1 . 2]" 1 864 1 68 TYR QE 1 73 ARG H 3.870 . 4.260 2.566 1.512 3.965 . 0 0 "[ . 1 . 2]" 1 865 1 68 TYR QE 1 73 ARG QB 5.340 . 5.870 4.117 2.883 5.392 . 0 0 "[ . 1 . 2]" 1 866 1 68 TYR QE 1 73 ARG QG 4.810 . 5.290 3.162 1.929 4.382 . 0 0 "[ . 1 . 2]" 1 867 1 69 ARG H 1 69 ARG HB2 3.810 . 4.190 2.408 2.308 2.537 . 0 0 "[ . 1 . 2]" 1 868 1 69 ARG H 1 69 ARG QB 3.210 . 3.530 2.374 2.281 2.491 . 0 0 "[ . 1 . 2]" 1 869 1 69 ARG H 1 69 ARG HB3 3.810 . 4.190 3.611 3.574 3.679 . 0 0 "[ . 1 . 2]" 1 870 1 69 ARG H 1 69 ARG HG2 4.330 . 4.760 3.735 2.301 4.233 . 0 0 "[ . 1 . 2]" 1 871 1 69 ARG H 1 69 ARG QG 3.610 . 3.970 2.699 2.246 3.645 . 0 0 "[ . 1 . 2]" 1 872 1 69 ARG H 1 69 ARG HG3 4.330 . 4.760 2.876 2.266 3.987 . 0 0 "[ . 1 . 2]" 1 873 1 69 ARG HA 1 69 ARG HD2 5.320 . 5.850 4.332 2.707 4.873 . 0 0 "[ . 1 . 2]" 1 874 1 69 ARG HA 1 69 ARG QD 4.510 . 4.960 3.690 2.098 4.231 . 0 0 "[ . 1 . 2]" 1 875 1 69 ARG HA 1 69 ARG HD3 5.320 . 5.850 4.126 2.143 4.899 . 0 0 "[ . 1 . 2]" 1 876 1 69 ARG HA 1 69 ARG HG2 4.180 . 4.600 2.799 2.388 3.692 . 0 0 "[ . 1 . 2]" 1 877 1 69 ARG HA 1 69 ARG QG 3.580 . 3.940 2.433 2.298 3.020 . 0 0 "[ . 1 . 2]" 1 878 1 69 ARG HA 1 69 ARG HG3 4.180 . 4.600 2.908 2.391 3.805 . 0 0 "[ . 1 . 2]" 1 879 1 69 ARG HA 1 70 GLY H 3.130 . 3.440 2.227 2.120 2.458 . 0 0 "[ . 1 . 2]" 1 880 1 69 ARG QB 1 69 ARG QD 3.310 . 3.640 2.293 2.120 2.798 . 0 0 "[ . 1 . 2]" 1 881 1 69 ARG QB 1 70 GLY H 3.690 . 4.060 3.008 2.241 3.610 . 0 0 "[ . 1 . 2]" 1 882 1 69 ARG QG 1 70 GLY H 4.360 . 4.800 3.975 3.584 4.282 . 0 0 "[ . 1 . 2]" 1 883 1 69 ARG HG2 1 70 GLY H 5.120 . 5.630 4.410 3.745 5.544 . 0 0 "[ . 1 . 2]" 1 884 1 69 ARG HG3 1 70 GLY H 5.120 . 5.630 4.740 3.712 5.133 . 0 0 "[ . 1 . 2]" 1 885 1 70 GLY H 1 71 ARG H 4.460 . 4.910 4.223 2.326 4.642 . 0 0 "[ . 1 . 2]" 1 886 1 70 GLY HA2 1 71 ARG H 3.370 . 3.710 2.596 2.238 2.871 . 0 0 "[ . 1 . 2]" 1 887 1 70 GLY HA3 1 71 ARG H 3.370 . 3.710 2.696 2.290 3.567 . 0 0 "[ . 1 . 2]" 1 888 1 71 ARG H 1 71 ARG QB 3.510 . 3.860 2.488 2.232 3.329 . 0 0 "[ . 1 . 2]" 1 889 1 71 ARG H 1 71 ARG HD2 5.500 . 6.050 4.602 3.628 6.059 0.009 11 0 "[ . 1 . 2]" 1 890 1 71 ARG H 1 71 ARG QD 4.790 . 5.270 4.062 3.260 4.950 . 0 0 "[ . 1 . 2]" 1 891 1 71 ARG H 1 71 ARG HD3 5.500 . 6.050 4.660 3.367 5.259 . 0 0 "[ . 1 . 2]" 1 892 1 71 ARG H 1 71 ARG HG2 4.880 . 5.370 3.517 1.920 4.540 . 0 0 "[ . 1 . 2]" 1 893 1 71 ARG H 1 71 ARG QG 4.190 . 4.610 2.838 1.902 4.013 . 0 0 "[ . 1 . 2]" 1 894 1 71 ARG H 1 71 ARG HG3 4.880 . 5.370 3.290 2.065 4.967 . 0 0 "[ . 1 . 2]" 1 895 1 71 ARG HA 1 71 ARG QD 4.290 . 4.720 4.009 2.068 4.528 . 0 0 "[ . 1 . 2]" 1 896 1 71 ARG HA 1 72 CYS H 3.130 . 3.440 2.301 2.167 2.639 . 0 0 "[ . 1 . 2]" 1 897 1 71 ARG HA 1 72 CYS HA 4.400 . 4.840 4.333 4.241 4.567 . 0 0 "[ . 1 . 2]" 1 898 1 71 ARG QB 1 71 ARG QD 3.330 . 3.660 2.272 2.119 2.856 . 0 0 "[ . 1 . 2]" 1 899 1 71 ARG QB 1 72 CYS H 3.950 . 4.350 2.970 2.046 4.048 . 0 0 "[ . 1 . 2]" 1 900 1 71 ARG HB2 1 72 CYS H 4.520 . 4.970 3.753 2.057 4.612 . 0 0 "[ . 1 . 2]" 1 901 1 71 ARG HB3 1 72 CYS H 4.520 . 4.970 3.359 2.226 4.482 . 0 0 "[ . 1 . 2]" 1 902 1 71 ARG QG 1 72 CYS H 4.540 . 4.990 3.637 2.116 4.528 . 0 0 "[ . 1 . 2]" 1 903 1 71 ARG HG2 1 72 CYS H 5.320 . 5.850 4.011 2.192 5.033 . 0 0 "[ . 1 . 2]" 1 904 1 71 ARG HG3 1 72 CYS H 5.320 . 5.850 4.349 2.444 5.271 . 0 0 "[ . 1 . 2]" 1 905 1 72 CYS H 1 72 CYS HB2 4.100 . 4.510 2.496 2.288 3.297 . 0 0 "[ . 1 . 2]" 1 906 1 72 CYS H 1 72 CYS QB 3.450 . 3.790 2.431 2.200 3.141 . 0 0 "[ . 1 . 2]" 1 907 1 72 CYS H 1 72 CYS HB3 4.100 . 4.510 3.465 2.765 3.951 . 0 0 "[ . 1 . 2]" 1 908 1 72 CYS H 1 73 ARG H 4.870 . 5.360 4.260 3.712 4.662 . 0 0 "[ . 1 . 2]" 1 909 1 72 CYS HA 1 73 ARG H 3.080 . 3.390 2.184 2.089 2.296 . 0 0 "[ . 1 . 2]" 1 910 1 72 CYS HA 1 73 ARG HA 4.540 . 4.990 4.424 4.386 4.494 . 0 0 "[ . 1 . 2]" 1 911 1 72 CYS HA 1 73 ARG QG 4.390 . 4.830 3.869 3.221 4.379 . 0 0 "[ . 1 . 2]" 1 912 1 72 CYS HA 1 74 LYS H 5.500 . 6.050 5.836 5.296 6.133 0.083 5 0 "[ . 1 . 2]" 1 913 1 72 CYS QB 1 73 ARG H 4.230 . 4.650 3.665 3.399 4.007 . 0 0 "[ . 1 . 2]" 1 914 1 72 CYS QB 1 74 LYS H 5.340 . 5.870 5.237 4.554 5.783 . 0 0 "[ . 1 . 2]" 1 915 1 73 ARG H 1 73 ARG HB2 4.080 . 4.490 3.113 2.394 3.748 . 0 0 "[ . 1 . 2]" 1 916 1 73 ARG H 1 73 ARG QB 3.430 . 3.770 2.695 2.362 3.058 . 0 0 "[ . 1 . 2]" 1 917 1 73 ARG H 1 73 ARG HB3 4.080 . 4.490 3.364 2.712 3.778 . 0 0 "[ . 1 . 2]" 1 918 1 73 ARG H 1 73 ARG HD2 5.500 . 6.050 4.566 4.021 5.320 . 0 0 "[ . 1 . 2]" 1 919 1 73 ARG H 1 73 ARG HD3 5.500 . 6.050 4.418 3.706 5.261 . 0 0 "[ . 1 . 2]" 1 920 1 73 ARG H 1 73 ARG HG2 4.110 . 4.520 2.684 1.830 4.259 . 0 0 "[ . 1 . 2]" 1 921 1 73 ARG H 1 73 ARG QG 3.540 . 3.890 2.342 1.817 3.002 . 0 0 "[ . 1 . 2]" 1 922 1 73 ARG H 1 73 ARG HG3 4.110 . 4.520 3.133 2.278 4.237 . 0 0 "[ . 1 . 2]" 1 923 1 73 ARG H 1 74 LYS H 4.400 . 4.840 4.392 4.134 4.587 . 0 0 "[ . 1 . 2]" 1 924 1 73 ARG HA 1 73 ARG HD2 5.500 . 6.050 4.278 2.066 5.557 . 0 0 "[ . 1 . 2]" 1 925 1 73 ARG HA 1 73 ARG QD 4.830 . 5.310 3.766 2.024 4.572 . 0 0 "[ . 1 . 2]" 1 926 1 73 ARG HA 1 73 ARG HD3 5.500 . 6.050 4.422 2.054 5.559 . 0 0 "[ . 1 . 2]" 1 927 1 73 ARG HA 1 73 ARG HG2 3.970 . 4.370 3.290 2.523 3.802 . 0 0 "[ . 1 . 2]" 1 928 1 73 ARG HA 1 73 ARG QG 3.470 . 3.820 3.027 2.400 3.361 . 0 0 "[ . 1 . 2]" 1 929 1 73 ARG HA 1 73 ARG HG3 3.970 . 4.370 3.595 2.804 3.853 . 0 0 "[ . 1 . 2]" 1 930 1 73 ARG HA 1 74 LYS H 3.020 . 3.320 2.186 2.145 2.271 . 0 0 "[ . 1 . 2]" 1 931 1 73 ARG QB 1 74 LYS H 3.980 . 4.380 3.219 2.840 3.627 . 0 0 "[ . 1 . 2]" 1 932 1 74 LYS H 1 74 LYS HB2 3.900 . 4.290 3.193 2.450 4.011 . 0 0 "[ . 1 . 2]" 1 933 1 74 LYS H 1 74 LYS QB 3.280 . 3.610 2.736 2.365 3.351 . 0 0 "[ . 1 . 2]" 1 934 1 74 LYS H 1 74 LYS HB3 3.900 . 4.290 3.121 2.528 4.008 . 0 0 "[ . 1 . 2]" 1 935 1 74 LYS H 1 74 LYS HG2 5.240 . 5.760 3.729 2.095 4.976 . 0 0 "[ . 1 . 2]" 1 936 1 74 LYS H 1 74 LYS QG 4.500 . 4.950 3.379 2.048 4.197 . 0 0 "[ . 1 . 2]" 1 937 1 74 LYS H 1 74 LYS HG3 5.240 . 5.760 4.032 2.365 4.841 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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