NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
368275 | 1aqa | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1aqa 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 1069 _Distance_constraint_stats_list.Viol_count 62 _Distance_constraint_stats_list.Viol_total 5.931 _Distance_constraint_stats_list.Viol_max 0.494 _Distance_constraint_stats_list.Viol_rms 0.0327 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0055 _Distance_constraint_stats_list.Viol_average_violations_only 0.0957 _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 5 LYS 0.369 0.284 1 0 "[ ]" 1 6 TYR 0.415 0.284 1 0 "[ ]" 1 7 TYR 0.000 0.000 . 0 "[ ]" 1 8 THR 0.043 0.028 1 0 "[ ]" 1 9 LEU 0.143 0.123 1 0 "[ ]" 1 10 GLU 0.015 0.015 1 0 "[ ]" 1 11 GLU 0.070 0.050 1 0 "[ ]" 1 12 ILE 0.000 0.000 . 0 "[ ]" 1 13 GLN 0.095 0.095 1 0 "[ ]" 1 14 LYS 0.000 0.000 . 0 "[ ]" 1 15 HIS 0.050 0.050 1 0 "[ ]" 1 16 LYS 0.205 0.120 1 0 "[ ]" 1 17 ASP 0.331 0.120 1 0 "[ ]" 1 18 SER 0.031 0.031 1 0 "[ ]" 1 19 LYS 0.009 0.009 1 0 "[ ]" 1 20 SER 0.000 0.000 . 0 "[ ]" 1 21 THR 0.243 0.116 1 0 "[ ]" 1 22 TRP 0.253 0.253 1 0 "[ ]" 1 23 VAL 0.094 0.063 1 0 "[ ]" 1 24 ILE 0.177 0.113 1 0 "[ ]" 1 25 LEU 0.000 0.000 . 0 "[ ]" 1 26 HIS 0.068 0.068 1 0 "[ ]" 1 27 HIS 0.192 0.124 1 0 "[ ]" 1 28 LYS 0.101 0.101 1 0 "[ ]" 1 29 VAL 0.000 0.000 . 0 "[ ]" 1 30 TYR 0.196 0.146 1 0 "[ ]" 1 31 ASP 0.672 0.268 1 0 "[ ]" 1 32 LEU 0.179 0.100 1 0 "[ ]" 1 33 THR 0.284 0.253 1 0 "[ ]" 1 34 LYS 0.000 0.000 . 0 "[ ]" 1 35 PHE 0.057 0.057 1 0 "[ ]" 1 36 LEU 0.157 0.100 1 0 "[ ]" 1 37 GLU 0.000 0.000 . 0 "[ ]" 1 38 GLU 0.000 0.000 . 0 "[ ]" 1 39 HIS 0.070 0.070 1 0 "[ ]" 1 40 PRO 0.223 0.223 1 0 "[ ]" 1 41 GLY 0.232 0.223 1 0 "[ ]" 1 42 GLY 0.391 0.207 1 0 "[ ]" 1 43 GLU 0.814 0.494 1 0 "[ ]" 1 44 GLU 0.033 0.033 1 0 "[ ]" 1 45 VAL 0.008 0.008 1 0 "[ ]" 1 46 LEU 0.073 0.073 1 0 "[ ]" 1 47 ARG 0.566 0.494 1 0 "[ ]" 1 48 GLU 0.118 0.084 1 0 "[ ]" 1 49 GLN 0.099 0.084 1 0 "[ ]" 1 50 ALA 0.000 0.000 . 0 "[ ]" 1 51 GLY 0.780 0.367 1 0 "[ ]" 1 52 GLY 0.700 0.367 1 0 "[ ]" 1 53 ASP 0.162 0.113 1 0 "[ ]" 1 54 ALA 0.000 0.000 . 0 "[ ]" 1 55 THR 0.143 0.124 1 0 "[ ]" 1 56 GLU 0.183 0.115 1 0 "[ ]" 1 57 ASN 0.000 0.000 . 0 "[ ]" 1 58 PHE 0.000 0.000 . 0 "[ ]" 1 59 GLU 0.115 0.115 1 0 "[ ]" 1 60 ASP 0.030 0.030 1 0 "[ ]" 1 61 VAL 0.118 0.118 1 0 "[ ]" 1 62 GLY 0.030 0.030 1 0 "[ ]" 1 63 HIS 0.118 0.118 1 0 "[ ]" 1 64 SER 0.000 0.000 . 0 "[ ]" 1 65 THR 0.000 0.000 . 0 "[ ]" 1 66 ASP 0.031 0.031 1 0 "[ ]" 1 67 ALA 0.000 0.000 . 0 "[ ]" 1 68 ARG 0.106 0.106 1 0 "[ ]" 1 69 GLU 0.038 0.031 1 0 "[ ]" 1 70 LEU 0.006 0.006 1 0 "[ ]" 1 71 SER 0.112 0.106 1 0 "[ ]" 1 72 LYS 0.105 0.105 1 0 "[ ]" 1 73 THR 0.007 0.007 1 0 "[ ]" 1 74 TYR 0.105 0.105 1 0 "[ ]" 1 75 ILE 0.183 0.090 1 0 "[ ]" 1 76 ILE 0.064 0.064 1 0 "[ ]" 1 77 GLY 0.000 0.000 . 0 "[ ]" 1 78 GLU 0.199 0.101 1 0 "[ ]" 1 79 LEU 0.041 0.041 1 0 "[ ]" 1 80 HIS 0.044 0.039 1 0 "[ ]" 1 81 PRO 0.005 0.005 1 0 "[ ]" 1 82 ASP 0.000 0.000 . 0 "[ ]" 1 83 ASP 0.034 0.028 1 0 "[ ]" 1 84 ARG 0.107 0.101 1 0 "[ ]" 1 85 SER 0.101 0.101 1 0 "[ ]" 1 86 LYS 0.326 0.326 1 0 "[ ]" 1 87 ILE 0.335 0.326 1 0 "[ ]" 1 88 ALA 0.009 0.009 1 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 5 LYS H 1 5 LYS HA . . 3.000 2.781 2.781 2.781 . 0 0 "[ ]" 1 2 1 5 LYS H 1 6 TYR CG . . 8.000 5.439 5.439 5.439 . 0 0 "[ ]" 1 3 1 5 LYS H 1 6 TYR HA . . 4.300 4.319 4.319 4.319 0.019 1 0 "[ ]" 1 4 1 5 LYS H 1 6 TYR QB . . 5.300 5.584 5.584 5.584 0.284 1 0 "[ ]" 1 5 1 5 LYS HA 1 6 TYR CG . . 8.000 4.317 4.317 4.317 . 0 0 "[ ]" 1 6 1 5 LYS HA 1 6 TYR H . . 3.100 2.310 2.310 2.310 . 0 0 "[ ]" 1 7 1 5 LYS HA 1 6 TYR HA . . 4.900 4.380 4.380 4.380 . 0 0 "[ ]" 1 8 1 5 LYS HA 1 7 TYR CZ . . 8.000 6.854 6.854 6.854 . 0 0 "[ ]" 1 9 1 5 LYS HA 1 78 GLU H . . 4.500 4.565 4.565 4.565 0.065 1 0 "[ ]" 1 10 1 5 LYS QB 1 6 TYR H . . 4.900 3.176 3.176 3.176 . 0 0 "[ ]" 1 11 1 5 LYS QB 1 7 TYR CZ . . 9.000 3.888 3.888 3.888 . 0 0 "[ ]" 1 12 1 5 LYS QB 1 78 GLU H . . 7.000 4.313 4.313 4.313 . 0 0 "[ ]" 1 13 1 5 LYS QG 1 6 TYR CZ . . 9.000 6.096 6.096 6.096 . 0 0 "[ ]" 1 14 1 6 TYR CG 1 7 TYR H . . 8.000 4.428 4.428 4.428 . 0 0 "[ ]" 1 15 1 6 TYR CG 1 78 GLU H . . 8.000 5.180 5.180 5.180 . 0 0 "[ ]" 1 16 1 6 TYR CG 1 78 GLU QB . . 8.300 4.618 4.618 4.618 . 0 0 "[ ]" 1 17 1 6 TYR CG 1 78 GLU QG . . 9.000 6.726 6.726 6.726 . 0 0 "[ ]" 1 18 1 6 TYR CG 1 80 HIS H . . 8.000 5.197 5.197 5.197 . 0 0 "[ ]" 1 19 1 6 TYR CG 1 80 HIS HA . . 8.000 3.631 3.631 3.631 . 0 0 "[ ]" 1 20 1 6 TYR CG 1 80 HIS QB . . 9.000 5.197 5.197 5.197 . 0 0 "[ ]" 1 21 1 6 TYR CG 1 81 PRO HD2 . . 8.000 4.600 4.600 4.600 . 0 0 "[ ]" 1 22 1 6 TYR CZ 1 78 GLU H . . 8.000 6.388 6.388 6.388 . 0 0 "[ ]" 1 23 1 6 TYR CZ 1 78 GLU QB . . 9.000 4.894 4.894 4.894 . 0 0 "[ ]" 1 24 1 6 TYR CZ 1 78 GLU QG . . 9.000 6.698 6.698 6.698 . 0 0 "[ ]" 1 25 1 6 TYR CZ 1 80 HIS HA . . 8.000 5.645 5.645 5.645 . 0 0 "[ ]" 1 26 1 6 TYR CZ 1 80 HIS QB . . 9.000 7.317 7.317 7.317 . 0 0 "[ ]" 1 27 1 6 TYR CZ 1 81 PRO HD2 . . 8.000 5.727 5.727 5.727 . 0 0 "[ ]" 1 28 1 6 TYR H 1 79 LEU H . . 5.200 5.241 5.241 5.241 0.041 1 0 "[ ]" 1 29 1 6 TYR HA 1 7 TYR H . . 3.000 2.305 2.305 2.305 . 0 0 "[ ]" 1 30 1 6 TYR HA 1 78 GLU H . . 3.800 3.080 3.080 3.080 . 0 0 "[ ]" 1 31 1 6 TYR HA 1 78 GLU HA . . 5.300 5.332 5.332 5.332 0.032 1 0 "[ ]" 1 32 1 6 TYR HA 1 78 GLU QB . . 7.000 3.758 3.758 3.758 . 0 0 "[ ]" 1 33 1 6 TYR HA 1 79 LEU H . . 4.100 2.619 2.619 2.619 . 0 0 "[ ]" 1 34 1 6 TYR HA 1 80 HIS H . . 4.000 4.039 4.039 4.039 0.039 1 0 "[ ]" 1 35 1 6 TYR HA 1 80 HIS HA . . 5.000 4.303 4.303 4.303 . 0 0 "[ ]" 1 36 1 6 TYR HA 1 80 HIS QB . . 7.000 4.991 4.991 4.991 . 0 0 "[ ]" 1 37 1 6 TYR QB 1 7 TYR H . . 4.800 2.632 2.632 2.632 . 0 0 "[ ]" 1 38 1 6 TYR QB 1 80 HIS H . . 6.000 3.240 3.240 3.240 . 0 0 "[ ]" 1 39 1 6 TYR QB 1 80 HIS HA . . 6.000 2.247 2.247 2.247 . 0 0 "[ ]" 1 40 1 6 TYR QB 1 80 HIS QB . . 6.500 3.282 3.282 3.282 . 0 0 "[ ]" 1 41 1 6 TYR QB 1 80 HIS HD2 . . 5.600 3.822 3.822 3.822 . 0 0 "[ ]" 1 42 1 6 TYR QB 1 81 PRO HD2 . . 6.000 3.888 3.888 3.888 . 0 0 "[ ]" 1 43 1 6 TYR QB 1 81 PRO HD3 . . 6.000 3.618 3.618 3.618 . 0 0 "[ ]" 1 44 1 7 TYR CG 1 8 THR H . . 8.000 4.323 4.323 4.323 . 0 0 "[ ]" 1 45 1 7 TYR CG 1 11 GLU HB3 . . 8.000 4.584 4.584 4.584 . 0 0 "[ ]" 1 46 1 7 TYR CG 1 11 GLU QG . . 9.000 5.075 5.075 5.075 . 0 0 "[ ]" 1 47 1 7 TYR CG 1 12 ILE HG12 . . 7.700 4.542 4.542 4.542 . 0 0 "[ ]" 1 48 1 7 TYR CG 1 22 TRP HE3 . . 8.000 4.523 4.523 4.523 . 0 0 "[ ]" 1 49 1 7 TYR CG 1 22 TRP HH2 . . 8.000 4.559 4.559 4.559 . 0 0 "[ ]" 1 50 1 7 TYR CG 1 22 TRP HZ3 . . 8.000 2.979 2.979 2.979 . 0 0 "[ ]" 1 51 1 7 TYR CG 1 29 VAL HB . . 8.000 4.968 4.968 4.968 . 0 0 "[ ]" 1 52 1 7 TYR CG 1 29 VAL MG1 . . 7.300 3.992 3.992 3.992 . 0 0 "[ ]" 1 53 1 7 TYR CG 1 29 VAL MG2 . . 6.400 3.595 3.595 3.595 . 0 0 "[ ]" 1 54 1 7 TYR CG 1 76 ILE MD . . 9.000 4.452 4.452 4.452 . 0 0 "[ ]" 1 55 1 7 TYR CG 1 76 ILE HG12 . . 8.000 6.755 6.755 6.755 . 0 0 "[ ]" 1 56 1 7 TYR CG 1 76 ILE HG13 . . 8.000 5.159 5.159 5.159 . 0 0 "[ ]" 1 57 1 7 TYR CG 1 76 ILE MG . . 9.000 6.996 6.996 6.996 . 0 0 "[ ]" 1 58 1 7 TYR CG 1 77 GLY H . . 8.000 6.608 6.608 6.608 . 0 0 "[ ]" 1 59 1 7 TYR CG 1 77 GLY HA3 . . 8.000 4.521 4.521 4.521 . 0 0 "[ ]" 1 60 1 7 TYR CG 1 78 GLU HA . . 8.000 7.745 7.745 7.745 . 0 0 "[ ]" 1 61 1 7 TYR CZ 1 22 TRP HH2 . . 8.000 3.243 3.243 3.243 . 0 0 "[ ]" 1 62 1 7 TYR CZ 1 22 TRP HZ3 . . 8.000 3.470 3.470 3.470 . 0 0 "[ ]" 1 63 1 7 TYR CZ 1 29 VAL HB . . 8.000 5.404 5.404 5.404 . 0 0 "[ ]" 1 64 1 7 TYR CZ 1 29 VAL MG1 . . 8.400 4.686 4.686 4.686 . 0 0 "[ ]" 1 65 1 7 TYR CZ 1 29 VAL MG2 . . 8.800 5.073 5.073 5.073 . 0 0 "[ ]" 1 66 1 7 TYR CZ 1 76 ILE HB . . 8.000 4.203 4.203 4.203 . 0 0 "[ ]" 1 67 1 7 TYR CZ 1 76 ILE MD . . 8.000 3.285 3.285 3.285 . 0 0 "[ ]" 1 68 1 7 TYR CZ 1 76 ILE HG12 . . 8.000 5.892 5.892 5.892 . 0 0 "[ ]" 1 69 1 7 TYR CZ 1 76 ILE HG13 . . 8.000 4.407 4.407 4.407 . 0 0 "[ ]" 1 70 1 7 TYR CZ 1 77 GLY H . . 8.000 6.220 6.220 6.220 . 0 0 "[ ]" 1 71 1 7 TYR CZ 1 77 GLY HA3 . . 8.000 4.621 4.621 4.621 . 0 0 "[ ]" 1 72 1 7 TYR CZ 1 78 GLU H . . 8.000 6.670 6.670 6.670 . 0 0 "[ ]" 1 73 1 7 TYR H 1 7 TYR HB2 . . 3.800 2.815 2.815 2.815 . 0 0 "[ ]" 1 74 1 7 TYR H 1 7 TYR HB3 . . 4.100 3.825 3.825 3.825 . 0 0 "[ ]" 1 75 1 7 TYR H 1 8 THR HA . . 4.800 4.495 4.495 4.495 . 0 0 "[ ]" 1 76 1 7 TYR H 1 12 ILE HG13 . . 6.000 5.669 5.669 5.669 . 0 0 "[ ]" 1 77 1 7 TYR H 1 29 VAL MG2 . . 6.100 4.107 4.107 4.107 . 0 0 "[ ]" 1 78 1 7 TYR H 1 78 GLU QB . . 7.000 5.287 5.287 5.287 . 0 0 "[ ]" 1 79 1 7 TYR H 1 80 HIS QB . . 7.000 3.626 3.626 3.626 . 0 0 "[ ]" 1 80 1 7 TYR HA 1 8 THR H . . 4.500 2.365 2.365 2.365 . 0 0 "[ ]" 1 81 1 7 TYR HA 1 8 THR HA . . 4.700 4.459 4.459 4.459 . 0 0 "[ ]" 1 82 1 7 TYR HA 1 8 THR MG . . 5.700 3.661 3.661 3.661 . 0 0 "[ ]" 1 83 1 7 TYR HA 1 11 GLU QG . . 7.000 5.160 5.160 5.160 . 0 0 "[ ]" 1 84 1 7 TYR HA 1 12 ILE MD . . 6.000 5.034 5.034 5.034 . 0 0 "[ ]" 1 85 1 7 TYR HB2 1 11 GLU HB3 . . 6.000 5.070 5.070 5.070 . 0 0 "[ ]" 1 86 1 7 TYR HB2 1 12 ILE HB . . 6.000 5.850 5.850 5.850 . 0 0 "[ ]" 1 87 1 7 TYR HB2 1 12 ILE MD . . 4.800 2.650 2.650 2.650 . 0 0 "[ ]" 1 88 1 7 TYR HB2 1 22 TRP HZ3 . . 6.000 4.149 4.149 4.149 . 0 0 "[ ]" 1 89 1 7 TYR HB2 1 29 VAL MG2 . . 5.300 2.452 2.452 2.452 . 0 0 "[ ]" 1 90 1 7 TYR HB2 1 79 LEU QD . . 7.000 2.290 2.290 2.290 . 0 0 "[ ]" 1 91 1 7 TYR HB3 1 11 GLU HB3 . . 6.000 3.366 3.366 3.366 . 0 0 "[ ]" 1 92 1 7 TYR HB3 1 11 GLU QG . . 6.700 4.617 4.617 4.617 . 0 0 "[ ]" 1 93 1 7 TYR HB3 1 12 ILE H . . 6.000 3.958 3.958 3.958 . 0 0 "[ ]" 1 94 1 7 TYR HB3 1 12 ILE HA . . 6.000 4.844 4.844 4.844 . 0 0 "[ ]" 1 95 1 7 TYR HB3 1 12 ILE MD . . 5.700 2.929 2.929 2.929 . 0 0 "[ ]" 1 96 1 7 TYR HB3 1 22 TRP HE3 . . 6.000 4.196 4.196 4.196 . 0 0 "[ ]" 1 97 1 7 TYR HB3 1 22 TRP HH2 . . 6.000 5.498 5.498 5.498 . 0 0 "[ ]" 1 98 1 7 TYR HB3 1 22 TRP HZ3 . . 6.000 3.265 3.265 3.265 . 0 0 "[ ]" 1 99 1 7 TYR HB3 1 29 VAL MG1 . . 5.300 4.254 4.254 4.254 . 0 0 "[ ]" 1 100 1 7 TYR HB3 1 79 LEU QD . . 5.000 3.181 3.181 3.181 . 0 0 "[ ]" 1 101 1 7 TYR HB3 1 80 HIS H . . 6.000 5.284 5.284 5.284 . 0 0 "[ ]" 1 102 1 8 THR H 1 11 GLU H . . 4.700 3.658 3.658 3.658 . 0 0 "[ ]" 1 103 1 8 THR H 1 11 GLU HB3 . . 5.700 3.906 3.906 3.906 . 0 0 "[ ]" 1 104 1 8 THR HA 1 9 LEU H . . 5.600 2.289 2.289 2.289 . 0 0 "[ ]" 1 105 1 8 THR HA 1 9 LEU HA . . 4.900 4.339 4.339 4.339 . 0 0 "[ ]" 1 106 1 8 THR HA 1 11 GLU H . . 5.900 4.994 4.994 4.994 . 0 0 "[ ]" 1 107 1 8 THR HA 1 79 LEU QD . . 5.800 3.807 3.807 3.807 . 0 0 "[ ]" 1 108 1 8 THR HA 1 83 ASP H . . 5.100 5.128 5.128 5.128 0.028 1 0 "[ ]" 1 109 1 8 THR HB 1 9 LEU H . . 3.800 3.002 3.002 3.002 . 0 0 "[ ]" 1 110 1 8 THR HB 1 9 LEU QB . . 7.000 4.112 4.112 4.112 . 0 0 "[ ]" 1 111 1 8 THR HB 1 10 GLU H . . 3.700 2.579 2.579 2.579 . 0 0 "[ ]" 1 112 1 8 THR HB 1 10 GLU HA . . 5.200 5.215 5.215 5.215 0.015 1 0 "[ ]" 1 113 1 8 THR HB 1 10 GLU HB2 . . 6.000 3.712 3.712 3.712 . 0 0 "[ ]" 1 114 1 8 THR HB 1 10 GLU HB3 . . 6.000 3.579 3.579 3.579 . 0 0 "[ ]" 1 115 1 8 THR HB 1 11 GLU H . . 5.200 3.842 3.842 3.842 . 0 0 "[ ]" 1 116 1 8 THR MG 1 9 LEU H . . 4.600 3.757 3.757 3.757 . 0 0 "[ ]" 1 117 1 8 THR MG 1 10 GLU H . . 6.300 4.254 4.254 4.254 . 0 0 "[ ]" 1 118 1 8 THR MG 1 11 GLU H . . 7.000 4.668 4.668 4.668 . 0 0 "[ ]" 1 119 1 8 THR MG 1 80 HIS QB . . 8.000 2.321 2.321 2.321 . 0 0 "[ ]" 1 120 1 8 THR MG 1 80 HIS HD2 . . 5.800 3.030 3.030 3.030 . 0 0 "[ ]" 1 121 1 9 LEU H 1 9 LEU MD1 . . 5.500 3.261 3.261 3.261 . 0 0 "[ ]" 1 122 1 9 LEU H 1 9 LEU HG . . 4.100 4.223 4.223 4.223 0.123 1 0 "[ ]" 1 123 1 9 LEU H 1 10 GLU H . . 3.700 3.066 3.066 3.066 . 0 0 "[ ]" 1 124 1 9 LEU H 1 11 GLU H . . 5.400 4.952 4.952 4.952 . 0 0 "[ ]" 1 125 1 9 LEU H 1 79 LEU QD . . 5.300 3.921 3.921 3.921 . 0 0 "[ ]" 1 126 1 9 LEU H 1 80 HIS QB . . 7.000 4.008 4.008 4.008 . 0 0 "[ ]" 1 127 1 9 LEU HA 1 9 LEU MD1 . . 4.100 2.254 2.254 2.254 . 0 0 "[ ]" 1 128 1 9 LEU HA 1 9 LEU HG . . 3.500 2.290 2.290 2.290 . 0 0 "[ ]" 1 129 1 9 LEU HA 1 10 GLU H . . 4.500 3.550 3.550 3.550 . 0 0 "[ ]" 1 130 1 9 LEU HA 1 11 GLU H . . 4.700 4.720 4.720 4.720 0.020 1 0 "[ ]" 1 131 1 9 LEU HA 1 12 ILE H . . 4.300 3.603 3.603 3.603 . 0 0 "[ ]" 1 132 1 9 LEU HA 1 12 ILE HB . . 3.600 2.205 2.205 2.205 . 0 0 "[ ]" 1 133 1 9 LEU HA 1 12 ILE HG13 . . 4.800 2.926 2.926 2.926 . 0 0 "[ ]" 1 134 1 9 LEU HA 1 13 GLN H . . 5.100 3.596 3.596 3.596 . 0 0 "[ ]" 1 135 1 9 LEU HA 1 79 LEU QD . . 5.200 3.724 3.724 3.724 . 0 0 "[ ]" 1 136 1 9 LEU HA 1 79 LEU HG . . 6.000 4.945 4.945 4.945 . 0 0 "[ ]" 1 137 1 9 LEU QB 1 10 GLU H . . 5.100 2.802 2.802 2.802 . 0 0 "[ ]" 1 138 1 9 LEU QB 1 79 LEU QD . . 6.800 4.245 4.245 4.245 . 0 0 "[ ]" 1 139 1 9 LEU QB 1 79 LEU HG . . 6.800 5.223 5.223 5.223 . 0 0 "[ ]" 1 140 1 9 LEU QB 1 83 ASP QB . . 8.000 3.554 3.554 3.554 . 0 0 "[ ]" 1 141 1 9 LEU MD1 1 12 ILE H . . 7.000 5.310 5.310 5.310 . 0 0 "[ ]" 1 142 1 9 LEU MD1 1 13 GLN H . . 7.000 4.779 4.779 4.779 . 0 0 "[ ]" 1 143 1 9 LEU MD1 1 13 GLN QG . . 6.300 5.684 5.684 5.684 . 0 0 "[ ]" 1 144 1 9 LEU MD1 1 79 LEU HG . . 5.300 4.263 4.263 4.263 . 0 0 "[ ]" 1 145 1 9 LEU MD1 1 83 ASP QB . . 8.000 2.604 2.604 2.604 . 0 0 "[ ]" 1 146 1 9 LEU MD1 1 86 LYS HA . . 7.000 5.577 5.577 5.577 . 0 0 "[ ]" 1 147 1 9 LEU MD1 1 86 LYS QB . . 5.000 3.034 3.034 3.034 . 0 0 "[ ]" 1 148 1 9 LEU MD1 1 86 LYS QE . . 8.000 3.974 3.974 3.974 . 0 0 "[ ]" 1 149 1 9 LEU MD2 1 13 GLN H . . 5.400 4.873 4.873 4.873 . 0 0 "[ ]" 1 150 1 9 LEU MD2 1 83 ASP HA . . 7.000 4.821 4.821 4.821 . 0 0 "[ ]" 1 151 1 9 LEU MD2 1 86 LYS QE . . 8.000 3.293 3.293 3.293 . 0 0 "[ ]" 1 152 1 9 LEU MD2 1 87 ILE MD . . 5.300 4.835 4.835 4.835 . 0 0 "[ ]" 1 153 1 9 LEU HG 1 10 GLU H . . 6.000 4.590 4.590 4.590 . 0 0 "[ ]" 1 154 1 9 LEU HG 1 10 GLU HA . . 6.000 4.990 4.990 4.990 . 0 0 "[ ]" 1 155 1 9 LEU HG 1 12 ILE HB . . 5.200 3.436 3.436 3.436 . 0 0 "[ ]" 1 156 1 9 LEU HG 1 13 GLN HB2 . . 5.500 3.421 3.421 3.421 . 0 0 "[ ]" 1 157 1 9 LEU HG 1 13 GLN QG . . 7.000 4.847 4.847 4.847 . 0 0 "[ ]" 1 158 1 10 GLU H 1 10 GLU HB2 . . 3.100 2.375 2.375 2.375 . 0 0 "[ ]" 1 159 1 10 GLU H 1 10 GLU HB3 . . 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 1 160 1 10 GLU H 1 11 GLU H . . 3.600 2.964 2.964 2.964 . 0 0 "[ ]" 1 161 1 10 GLU H 1 12 ILE H . . 4.800 4.179 4.179 4.179 . 0 0 "[ ]" 1 162 1 10 GLU H 1 13 GLN H . . 5.500 4.757 4.757 4.757 . 0 0 "[ ]" 1 163 1 10 GLU HA 1 10 GLU HB2 . . 3.000 2.556 2.556 2.556 . 0 0 "[ ]" 1 164 1 10 GLU HA 1 11 GLU H . . 4.200 3.614 3.614 3.614 . 0 0 "[ ]" 1 165 1 10 GLU HA 1 13 GLN H . . 4.600 3.915 3.915 3.915 . 0 0 "[ ]" 1 166 1 10 GLU HA 1 13 GLN HB2 . . 4.100 3.791 3.791 3.791 . 0 0 "[ ]" 1 167 1 10 GLU HA 1 13 GLN HB3 . . 5.300 3.230 3.230 3.230 . 0 0 "[ ]" 1 168 1 10 GLU HA 1 13 GLN QG . . 7.000 5.177 5.177 5.177 . 0 0 "[ ]" 1 169 1 10 GLU HB2 1 11 GLU H . . 3.800 3.657 3.657 3.657 . 0 0 "[ ]" 1 170 1 10 GLU HB3 1 11 GLU H . . 3.500 2.282 2.282 2.282 . 0 0 "[ ]" 1 171 1 11 GLU H 1 11 GLU HB3 . . 3.300 3.196 3.196 3.196 . 0 0 "[ ]" 1 172 1 11 GLU H 1 11 GLU QG . . 5.100 4.003 4.003 4.003 . 0 0 "[ ]" 1 173 1 11 GLU H 1 12 ILE H . . 3.500 2.592 2.592 2.592 . 0 0 "[ ]" 1 174 1 11 GLU H 1 13 GLN H . . 5.300 4.488 4.488 4.488 . 0 0 "[ ]" 1 175 1 11 GLU HA 1 12 ILE H . . 4.100 3.532 3.532 3.532 . 0 0 "[ ]" 1 176 1 11 GLU HA 1 12 ILE HA . . 5.300 4.899 4.899 4.899 . 0 0 "[ ]" 1 177 1 11 GLU HA 1 13 GLN H . . 5.500 4.840 4.840 4.840 . 0 0 "[ ]" 1 178 1 11 GLU HA 1 14 LYS H . . 4.300 3.471 3.471 3.471 . 0 0 "[ ]" 1 179 1 11 GLU HA 1 14 LYS QB . . 5.300 2.920 2.920 2.920 . 0 0 "[ ]" 1 180 1 11 GLU HA 1 14 LYS QE . . 7.000 3.470 3.470 3.470 . 0 0 "[ ]" 1 181 1 11 GLU HA 1 14 LYS QG . . 7.000 3.175 3.175 3.175 . 0 0 "[ ]" 1 182 1 11 GLU HA 1 15 HIS HD2 . . 6.000 4.889 4.889 4.889 . 0 0 "[ ]" 1 183 1 11 GLU HB2 1 12 ILE HB . . 6.000 5.562 5.562 5.562 . 0 0 "[ ]" 1 184 1 11 GLU HB2 1 12 ILE HG12 . . 5.000 4.341 4.341 4.341 . 0 0 "[ ]" 1 185 1 11 GLU HB2 1 12 ILE HG13 . . 6.000 5.878 5.878 5.878 . 0 0 "[ ]" 1 186 1 11 GLU HB3 1 12 ILE H . . 4.100 2.783 2.783 2.783 . 0 0 "[ ]" 1 187 1 11 GLU HB3 1 15 HIS HD2 . . 6.000 6.050 6.050 6.050 0.050 1 0 "[ ]" 1 188 1 11 GLU HB3 1 22 TRP HZ3 . . 6.000 3.262 3.262 3.262 . 0 0 "[ ]" 1 189 1 11 GLU QG 1 12 ILE H . . 7.000 4.354 4.354 4.354 . 0 0 "[ ]" 1 190 1 11 GLU QG 1 12 ILE HA . . 7.000 5.063 5.063 5.063 . 0 0 "[ ]" 1 191 1 11 GLU QG 1 14 LYS QB . . 8.000 3.816 3.816 3.816 . 0 0 "[ ]" 1 192 1 11 GLU QG 1 22 TRP HE3 . . 7.000 5.168 5.168 5.168 . 0 0 "[ ]" 1 193 1 11 GLU QG 1 22 TRP HZ3 . . 7.000 3.773 3.773 3.773 . 0 0 "[ ]" 1 194 1 12 ILE H 1 12 ILE HB . . 3.300 2.356 2.356 2.356 . 0 0 "[ ]" 1 195 1 12 ILE H 1 12 ILE MD . . 5.000 3.604 3.604 3.604 . 0 0 "[ ]" 1 196 1 12 ILE H 1 13 GLN H . . 3.600 3.020 3.020 3.020 . 0 0 "[ ]" 1 197 1 12 ILE H 1 13 GLN HB3 . . 5.600 5.244 5.244 5.244 . 0 0 "[ ]" 1 198 1 12 ILE H 1 22 TRP HZ3 . . 6.000 5.045 5.045 5.045 . 0 0 "[ ]" 1 199 1 12 ILE HA 1 12 ILE MD . . 4.000 2.215 2.215 2.215 . 0 0 "[ ]" 1 200 1 12 ILE HA 1 13 GLN H . . 4.200 3.600 3.600 3.600 . 0 0 "[ ]" 1 201 1 12 ILE HA 1 13 GLN HA . . 5.100 4.878 4.878 4.878 . 0 0 "[ ]" 1 202 1 12 ILE HA 1 15 HIS H . . 4.800 3.597 3.597 3.597 . 0 0 "[ ]" 1 203 1 12 ILE HA 1 15 HIS HE1 . . 6.000 5.923 5.923 5.923 . 0 0 "[ ]" 1 204 1 12 ILE HA 1 22 TRP HE3 . . 4.600 3.007 3.007 3.007 . 0 0 "[ ]" 1 205 1 12 ILE HA 1 22 TRP HZ3 . . 5.500 4.495 4.495 4.495 . 0 0 "[ ]" 1 206 1 12 ILE HA 1 79 LEU QD . . 6.500 4.932 4.932 4.932 . 0 0 "[ ]" 1 207 1 12 ILE HB 1 13 GLN H . . 3.400 2.300 2.300 2.300 . 0 0 "[ ]" 1 208 1 12 ILE HB 1 13 GLN QG . . 7.000 5.592 5.592 5.592 . 0 0 "[ ]" 1 209 1 12 ILE HB 1 51 GLY HA2 . . 6.000 4.309 4.309 4.309 . 0 0 "[ ]" 1 210 1 12 ILE HB 1 51 GLY HA3 . . 6.000 5.015 5.015 5.015 . 0 0 "[ ]" 1 211 1 12 ILE HB 1 79 LEU QD . . 5.600 4.031 4.031 4.031 . 0 0 "[ ]" 1 212 1 12 ILE MD 1 15 HIS HB2 . . 6.500 4.213 4.213 4.213 . 0 0 "[ ]" 1 213 1 12 ILE MD 1 22 TRP HE3 . . 4.400 2.157 2.157 2.157 . 0 0 "[ ]" 1 214 1 12 ILE MD 1 23 VAL HA . . 6.000 4.698 4.698 4.698 . 0 0 "[ ]" 1 215 1 12 ILE MD 1 24 ILE H . . 5.300 4.422 4.422 4.422 . 0 0 "[ ]" 1 216 1 12 ILE MD 1 24 ILE HA . . 5.400 3.975 3.975 3.975 . 0 0 "[ ]" 1 217 1 12 ILE MD 1 29 VAL HB . . 5.400 4.025 4.025 4.025 . 0 0 "[ ]" 1 218 1 12 ILE MD 1 29 VAL MG1 . . 6.700 2.147 2.147 2.147 . 0 0 "[ ]" 1 219 1 12 ILE MD 1 29 VAL MG2 . . 6.100 2.159 2.159 2.159 . 0 0 "[ ]" 1 220 1 12 ILE MD 1 51 GLY HA2 . . 4.600 3.866 3.866 3.866 . 0 0 "[ ]" 1 221 1 12 ILE MD 1 79 LEU HA . . 6.000 4.668 4.668 4.668 . 0 0 "[ ]" 1 222 1 12 ILE MD 1 79 LEU QD . . 5.000 2.268 2.268 2.268 . 0 0 "[ ]" 1 223 1 12 ILE HG12 1 12 ILE MG . . 3.400 3.223 3.223 3.223 . 0 0 "[ ]" 1 224 1 12 ILE HG12 1 79 LEU QD . . 6.100 3.066 3.066 3.066 . 0 0 "[ ]" 1 225 1 12 ILE MG 1 15 HIS HB2 . . 6.300 4.376 4.376 4.376 . 0 0 "[ ]" 1 226 1 12 ILE MG 1 24 ILE H . . 7.000 3.913 3.913 3.913 . 0 0 "[ ]" 1 227 1 12 ILE MG 1 24 ILE HA . . 7.000 4.733 4.733 4.733 . 0 0 "[ ]" 1 228 1 12 ILE MG 1 29 VAL MG1 . . 5.800 3.827 3.827 3.827 . 0 0 "[ ]" 1 229 1 12 ILE MG 1 29 VAL MG2 . . 6.600 4.259 4.259 4.259 . 0 0 "[ ]" 1 230 1 13 GLN H 1 13 GLN HB2 . . 3.200 2.289 2.289 2.289 . 0 0 "[ ]" 1 231 1 13 GLN H 1 13 GLN HB3 . . 3.500 2.776 2.776 2.776 . 0 0 "[ ]" 1 232 1 13 GLN H 1 14 LYS H . . 3.700 3.016 3.016 3.016 . 0 0 "[ ]" 1 233 1 13 GLN H 1 15 HIS H . . 5.700 4.328 4.328 4.328 . 0 0 "[ ]" 1 234 1 13 GLN H 1 51 GLY HA2 . . 4.700 4.267 4.267 4.267 . 0 0 "[ ]" 1 235 1 13 GLN H 1 51 GLY HA3 . . 4.000 4.095 4.095 4.095 0.095 1 0 "[ ]" 1 236 1 13 GLN HA 1 14 LYS H . . 4.900 3.618 3.618 3.618 . 0 0 "[ ]" 1 237 1 13 GLN HA 1 14 LYS HA . . 5.200 4.861 4.861 4.861 . 0 0 "[ ]" 1 238 1 13 GLN HA 1 15 HIS H . . 4.700 4.296 4.296 4.296 . 0 0 "[ ]" 1 239 1 13 GLN HA 1 51 GLY HA2 . . 3.500 3.484 3.484 3.484 . 0 0 "[ ]" 1 240 1 13 GLN HA 1 51 GLY HA3 . . 4.600 2.255 2.255 2.255 . 0 0 "[ ]" 1 241 1 13 GLN HB2 1 14 LYS H . . 4.900 3.904 3.904 3.904 . 0 0 "[ ]" 1 242 1 13 GLN HB2 1 14 LYS QG . . 7.000 5.209 5.209 5.209 . 0 0 "[ ]" 1 243 1 13 GLN HB3 1 14 LYS H . . 4.600 2.713 2.713 2.713 . 0 0 "[ ]" 1 244 1 13 GLN HB3 1 14 LYS HA . . 4.600 4.303 4.303 4.303 . 0 0 "[ ]" 1 245 1 13 GLN QG 1 14 LYS H . . 7.000 4.012 4.012 4.012 . 0 0 "[ ]" 1 246 1 14 LYS H 1 14 LYS QB . . 3.900 2.503 2.503 2.503 . 0 0 "[ ]" 1 247 1 14 LYS H 1 14 LYS QE . . 7.000 4.228 4.228 4.228 . 0 0 "[ ]" 1 248 1 14 LYS H 1 14 LYS QG . . 5.100 2.272 2.272 2.272 . 0 0 "[ ]" 1 249 1 14 LYS H 1 15 HIS H . . 3.300 2.718 2.718 2.718 . 0 0 "[ ]" 1 250 1 14 LYS HA 1 15 HIS H . . 4.300 3.576 3.576 3.576 . 0 0 "[ ]" 1 251 1 14 LYS QB 1 15 HIS H . . 5.800 2.497 2.497 2.497 . 0 0 "[ ]" 1 252 1 14 LYS QB 1 15 HIS HD2 . . 7.000 2.322 2.322 2.322 . 0 0 "[ ]" 1 253 1 14 LYS QG 1 15 HIS H . . 7.000 4.098 4.098 4.098 . 0 0 "[ ]" 1 254 1 15 HIS H 1 15 HIS HB2 . . 3.800 2.392 2.392 2.392 . 0 0 "[ ]" 1 255 1 15 HIS H 1 15 HIS HB3 . . 4.400 3.569 3.569 3.569 . 0 0 "[ ]" 1 256 1 15 HIS H 1 16 LYS H . . 4.600 3.797 3.797 3.797 . 0 0 "[ ]" 1 257 1 15 HIS H 1 16 LYS HA . . 5.900 5.135 5.135 5.135 . 0 0 "[ ]" 1 258 1 15 HIS HA 1 15 HIS HE1 . . 6.000 5.854 5.854 5.854 . 0 0 "[ ]" 1 259 1 15 HIS HA 1 16 LYS H . . 3.100 2.484 2.484 2.484 . 0 0 "[ ]" 1 260 1 15 HIS HA 1 16 LYS HA . . 6.000 4.599 4.599 4.599 . 0 0 "[ ]" 1 261 1 15 HIS HA 1 17 ASP H . . 4.700 3.935 3.935 3.935 . 0 0 "[ ]" 1 262 1 15 HIS HA 1 20 SER HA . . 5.300 4.880 4.880 4.880 . 0 0 "[ ]" 1 263 1 15 HIS HB2 1 15 HIS HE1 . . 5.100 4.933 4.933 4.933 . 0 0 "[ ]" 1 264 1 15 HIS HB2 1 16 LYS H . . 6.000 4.540 4.540 4.540 . 0 0 "[ ]" 1 265 1 15 HIS HB2 1 21 THR H . . 6.000 5.496 5.496 5.496 . 0 0 "[ ]" 1 266 1 15 HIS HB2 1 21 THR HA . . 6.000 4.843 4.843 4.843 . 0 0 "[ ]" 1 267 1 15 HIS HB2 1 22 TRP QB . . 6.000 2.727 2.727 2.727 . 0 0 "[ ]" 1 268 1 15 HIS HB2 1 22 TRP HE3 . . 6.000 3.803 3.803 3.803 . 0 0 "[ ]" 1 269 1 15 HIS HB3 1 15 HIS HE1 . . 5.100 4.955 4.955 4.955 . 0 0 "[ ]" 1 270 1 15 HIS HB3 1 16 LYS H . . 5.300 4.387 4.387 4.387 . 0 0 "[ ]" 1 271 1 15 HIS HB3 1 22 TRP H . . 6.000 2.870 2.870 2.870 . 0 0 "[ ]" 1 272 1 15 HIS HB3 1 22 TRP QB . . 5.300 3.267 3.267 3.267 . 0 0 "[ ]" 1 273 1 15 HIS HB3 1 22 TRP HE3 . . 5.300 4.658 4.658 4.658 . 0 0 "[ ]" 1 274 1 15 HIS HB3 1 22 TRP HZ3 . . 6.000 5.997 5.997 5.997 . 0 0 "[ ]" 1 275 1 16 LYS H 1 17 ASP H . . 3.300 2.358 2.358 2.358 . 0 0 "[ ]" 1 276 1 16 LYS H 1 17 ASP HB2 . . 6.000 6.086 6.086 6.086 0.086 1 0 "[ ]" 1 277 1 16 LYS H 1 17 ASP HB3 . . 4.800 4.920 4.920 4.920 0.120 1 0 "[ ]" 1 278 1 16 LYS HA 1 17 ASP H . . 4.100 3.649 3.649 3.649 . 0 0 "[ ]" 1 279 1 16 LYS HA 1 21 THR HA . . 4.600 3.532 3.532 3.532 . 0 0 "[ ]" 1 280 1 16 LYS HA 1 50 ALA MB . . 3.500 2.276 2.276 2.276 . 0 0 "[ ]" 1 281 1 16 LYS QB 1 50 ALA MB . . 4.800 3.198 3.198 3.198 . 0 0 "[ ]" 1 282 1 16 LYS QG 1 50 ALA HA . . 5.500 4.669 4.669 4.669 . 0 0 "[ ]" 1 283 1 16 LYS QG 1 50 ALA MB . . 7.700 2.930 2.930 2.930 . 0 0 "[ ]" 1 284 1 16 LYS QG 1 51 GLY HA2 . . 6.900 4.308 4.308 4.308 . 0 0 "[ ]" 1 285 1 17 ASP H 1 50 ALA MB . . 5.600 4.542 4.542 4.542 . 0 0 "[ ]" 1 286 1 17 ASP HA 1 17 ASP HB2 . . 3.100 2.352 2.352 2.352 . 0 0 "[ ]" 1 287 1 17 ASP HA 1 21 THR HB . . 4.000 4.116 4.116 4.116 0.116 1 0 "[ ]" 1 288 1 17 ASP HB2 1 18 SER HA . . 5.600 4.650 4.650 4.650 . 0 0 "[ ]" 1 289 1 17 ASP HB2 1 19 LYS H . . 6.000 6.009 6.009 6.009 0.009 1 0 "[ ]" 1 290 1 17 ASP HB3 1 18 SER QB . . 7.000 5.129 5.129 5.129 . 0 0 "[ ]" 1 291 1 17 ASP HB3 1 50 ALA MB . . 4.300 3.543 3.543 3.543 . 0 0 "[ ]" 1 292 1 18 SER H 1 19 LYS H . . 4.500 3.002 3.002 3.002 . 0 0 "[ ]" 1 293 1 18 SER H 1 19 LYS QB . . 5.400 4.944 4.944 4.944 . 0 0 "[ ]" 1 294 1 18 SER HA 1 33 THR HA . . 5.600 5.631 5.631 5.631 0.031 1 0 "[ ]" 1 295 1 18 SER QB 1 19 LYS QB . . 8.000 3.840 3.840 3.840 . 0 0 "[ ]" 1 296 1 18 SER QB 1 20 SER H . . 7.000 4.361 4.361 4.361 . 0 0 "[ ]" 1 297 1 19 LYS H 1 19 LYS QD . . 5.800 3.876 3.876 3.876 . 0 0 "[ ]" 1 298 1 19 LYS H 1 19 LYS QE . . 5.900 4.203 4.203 4.203 . 0 0 "[ ]" 1 299 1 19 LYS H 1 20 SER H . . 3.600 2.945 2.945 2.945 . 0 0 "[ ]" 1 300 1 19 LYS HA 1 20 SER H . . 3.500 3.391 3.391 3.391 . 0 0 "[ ]" 1 301 1 19 LYS HA 1 33 THR MG . . 5.400 3.562 3.562 3.562 . 0 0 "[ ]" 1 302 1 19 LYS HA 1 34 LYS QB . . 7.000 6.258 6.258 6.258 . 0 0 "[ ]" 1 303 1 19 LYS QB 1 20 SER HB2 . . 7.000 4.199 4.199 4.199 . 0 0 "[ ]" 1 304 1 20 SER H 1 20 SER HB3 . . 4.200 3.892 3.892 3.892 . 0 0 "[ ]" 1 305 1 20 SER H 1 21 THR H . . 4.600 3.714 3.714 3.714 . 0 0 "[ ]" 1 306 1 20 SER HA 1 21 THR H . . 3.600 2.287 2.287 2.287 . 0 0 "[ ]" 1 307 1 20 SER HA 1 21 THR HB . . 5.500 4.641 4.641 4.641 . 0 0 "[ ]" 1 308 1 20 SER HA 1 33 THR MG . . 4.600 2.703 2.703 2.703 . 0 0 "[ ]" 1 309 1 21 THR H 1 21 THR HB . . 3.600 2.607 2.607 2.607 . 0 0 "[ ]" 1 310 1 21 THR H 1 21 THR MG . . 4.600 3.862 3.862 3.862 . 0 0 "[ ]" 1 311 1 21 THR H 1 22 TRP H . . 4.600 3.613 3.613 3.613 . 0 0 "[ ]" 1 312 1 21 THR H 1 31 ASP HA . . 4.000 4.048 4.048 4.048 0.048 1 0 "[ ]" 1 313 1 21 THR H 1 32 LEU HA . . 5.600 5.679 5.679 5.679 0.079 1 0 "[ ]" 1 314 1 21 THR H 1 33 THR H . . 4.200 3.138 3.138 3.138 . 0 0 "[ ]" 1 315 1 21 THR H 1 33 THR HA . . 4.700 3.745 3.745 3.745 . 0 0 "[ ]" 1 316 1 21 THR H 1 33 THR MG . . 6.800 2.936 2.936 2.936 . 0 0 "[ ]" 1 317 1 21 THR HA 1 22 TRP H . . 4.200 2.338 2.338 2.338 . 0 0 "[ ]" 1 318 1 21 THR HA 1 32 LEU H . . 5.400 4.874 4.874 4.874 . 0 0 "[ ]" 1 319 1 21 THR HA 1 50 ALA MB . . 6.100 2.999 2.999 2.999 . 0 0 "[ ]" 1 320 1 21 THR HB 1 22 TRP H . . 5.100 4.494 4.494 4.494 . 0 0 "[ ]" 1 321 1 21 THR HB 1 32 LEU H . . 6.000 3.259 3.259 3.259 . 0 0 "[ ]" 1 322 1 21 THR HB 1 33 THR H . . 6.000 3.072 3.072 3.072 . 0 0 "[ ]" 1 323 1 21 THR HB 1 36 LEU MD1 . . 6.500 2.941 2.941 2.941 . 0 0 "[ ]" 1 324 1 21 THR MG 1 22 TRP H . . 7.000 3.740 3.740 3.740 . 0 0 "[ ]" 1 325 1 21 THR MG 1 22 TRP HA . . 7.000 4.399 4.399 4.399 . 0 0 "[ ]" 1 326 1 21 THR MG 1 36 LEU MD2 . . 5.800 2.211 2.211 2.211 . 0 0 "[ ]" 1 327 1 21 THR MG 1 46 LEU HB3 . . 5.200 3.441 3.441 3.441 . 0 0 "[ ]" 1 328 1 21 THR MG 1 46 LEU MD2 . . 6.600 4.480 4.480 4.480 . 0 0 "[ ]" 1 329 1 21 THR MG 1 50 ALA HA . . 5.500 4.133 4.133 4.133 . 0 0 "[ ]" 1 330 1 21 THR MG 1 50 ALA MB . . 4.400 2.330 2.330 2.330 . 0 0 "[ ]" 1 331 1 22 TRP H 1 31 ASP HA . . 5.000 4.596 4.596 4.596 . 0 0 "[ ]" 1 332 1 22 TRP H 1 50 ALA HA . . 4.700 4.697 4.697 4.697 . 0 0 "[ ]" 1 333 1 22 TRP H 1 50 ALA MB . . 6.700 3.338 3.338 3.338 . 0 0 "[ ]" 1 334 1 22 TRP H 1 51 GLY H . . 4.600 3.243 3.243 3.243 . 0 0 "[ ]" 1 335 1 22 TRP HA 1 23 VAL H . . 3.300 2.398 2.398 2.398 . 0 0 "[ ]" 1 336 1 22 TRP HA 1 23 VAL HA . . 5.900 4.534 4.534 4.534 . 0 0 "[ ]" 1 337 1 22 TRP HA 1 23 VAL MG1 . . 7.000 3.561 3.561 3.561 . 0 0 "[ ]" 1 338 1 22 TRP HA 1 31 ASP HA . . 3.300 2.209 2.209 2.209 . 0 0 "[ ]" 1 339 1 22 TRP HA 1 32 LEU H . . 4.700 2.907 2.907 2.907 . 0 0 "[ ]" 1 340 1 22 TRP QB 1 23 VAL H . . 4.800 2.526 2.526 2.526 . 0 0 "[ ]" 1 341 1 22 TRP QB 1 29 VAL MG1 . . 4.900 2.278 2.278 2.278 . 0 0 "[ ]" 1 342 1 22 TRP QB 1 31 ASP HA . . 5.800 3.447 3.447 3.447 . 0 0 "[ ]" 1 343 1 22 TRP QB 1 33 THR H . . 6.000 6.253 6.253 6.253 0.253 1 0 "[ ]" 1 344 1 22 TRP QB 1 51 GLY H . . 6.000 3.709 3.709 3.709 . 0 0 "[ ]" 1 345 1 22 TRP QB 1 79 LEU QD . . 5.300 5.162 5.162 5.162 . 0 0 "[ ]" 1 346 1 22 TRP HE3 1 29 VAL MG1 . . 4.100 2.463 2.463 2.463 . 0 0 "[ ]" 1 347 1 22 TRP HE3 1 29 VAL MG2 . . 7.000 4.050 4.050 4.050 . 0 0 "[ ]" 1 348 1 22 TRP HE3 1 76 ILE MD . . 5.100 3.213 3.213 3.213 . 0 0 "[ ]" 1 349 1 22 TRP HH2 1 76 ILE MD . . 6.600 3.230 3.230 3.230 . 0 0 "[ ]" 1 350 1 22 TRP HZ3 1 29 VAL MG1 . . 5.200 3.573 3.573 3.573 . 0 0 "[ ]" 1 351 1 22 TRP HZ3 1 76 ILE MD . . 6.900 3.458 3.458 3.458 . 0 0 "[ ]" 1 352 1 23 VAL H 1 23 VAL MG2 . . 3.900 2.290 2.290 2.290 . 0 0 "[ ]" 1 353 1 23 VAL H 1 24 ILE HA . . 4.500 4.563 4.563 4.563 0.063 1 0 "[ ]" 1 354 1 23 VAL H 1 29 VAL MG1 . . 6.800 3.107 3.107 3.107 . 0 0 "[ ]" 1 355 1 23 VAL H 1 30 TYR H . . 3.400 2.714 2.714 2.714 . 0 0 "[ ]" 1 356 1 23 VAL H 1 30 TYR HA . . 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 1 357 1 23 VAL H 1 31 ASP HA . . 4.600 3.910 3.910 3.910 . 0 0 "[ ]" 1 358 1 23 VAL H 1 32 LEU MD2 . . 6.200 4.395 4.395 4.395 . 0 0 "[ ]" 1 359 1 23 VAL HA 1 24 ILE H . . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1 360 1 23 VAL HA 1 24 ILE HA . . 6.000 4.462 4.462 4.462 . 0 0 "[ ]" 1 361 1 23 VAL HA 1 32 LEU MD2 . . 5.600 4.984 4.984 4.984 . 0 0 "[ ]" 1 362 1 23 VAL HA 1 50 ALA HA . . 4.300 3.272 3.272 3.272 . 0 0 "[ ]" 1 363 1 23 VAL HA 1 51 GLY H . . 3.900 3.354 3.354 3.354 . 0 0 "[ ]" 1 364 1 23 VAL HA 1 52 GLY H . . 4.300 2.979 2.979 2.979 . 0 0 "[ ]" 1 365 1 23 VAL HB 1 24 ILE H . . 3.800 3.286 3.286 3.286 . 0 0 "[ ]" 1 366 1 23 VAL HB 1 25 LEU MD1 . . 7.000 3.399 3.399 3.399 . 0 0 "[ ]" 1 367 1 23 VAL HB 1 29 VAL HA . . 6.000 5.762 5.762 5.762 . 0 0 "[ ]" 1 368 1 23 VAL HB 1 54 ALA MB . . 5.300 2.268 2.268 2.268 . 0 0 "[ ]" 1 369 1 23 VAL MG1 1 24 ILE H . . 7.000 4.035 4.035 4.035 . 0 0 "[ ]" 1 370 1 23 VAL MG1 1 25 LEU MD2 . . 6.900 3.551 3.551 3.551 . 0 0 "[ ]" 1 371 1 23 VAL MG1 1 30 TYR CG . . 9.000 6.074 6.074 6.074 . 0 0 "[ ]" 1 372 1 23 VAL MG1 1 32 LEU H . . 5.400 4.393 4.393 4.393 . 0 0 "[ ]" 1 373 1 23 VAL MG1 1 32 LEU QB . . 5.700 4.270 4.270 4.270 . 0 0 "[ ]" 1 374 1 23 VAL MG1 1 46 LEU HB3 . . 5.700 3.734 3.734 3.734 . 0 0 "[ ]" 1 375 1 23 VAL MG1 1 46 LEU MD2 . . 7.100 3.411 3.411 3.411 . 0 0 "[ ]" 1 376 1 23 VAL MG1 1 49 GLN QB . . 8.000 3.539 3.539 3.539 . 0 0 "[ ]" 1 377 1 23 VAL MG1 1 49 GLN QG . . 8.000 4.410 4.410 4.410 . 0 0 "[ ]" 1 378 1 23 VAL MG1 1 50 ALA HA . . 4.400 2.238 2.238 2.238 . 0 0 "[ ]" 1 379 1 23 VAL MG1 1 50 ALA MB . . 6.100 3.006 3.006 3.006 . 0 0 "[ ]" 1 380 1 23 VAL MG1 1 54 ALA HA . . 7.000 5.295 5.295 5.295 . 0 0 "[ ]" 1 381 1 23 VAL MG1 1 54 ALA MB . . 5.700 2.817 2.817 2.817 . 0 0 "[ ]" 1 382 1 23 VAL MG2 1 25 LEU MD1 . . 6.600 2.371 2.371 2.371 . 0 0 "[ ]" 1 383 1 23 VAL MG2 1 25 LEU MD2 . . 6.900 3.159 3.159 3.159 . 0 0 "[ ]" 1 384 1 23 VAL MG2 1 30 TYR CG . . 8.500 3.524 3.524 3.524 . 0 0 "[ ]" 1 385 1 23 VAL MG2 1 30 TYR H . . 5.500 2.722 2.722 2.722 . 0 0 "[ ]" 1 386 1 23 VAL MG2 1 30 TYR QB . . 6.800 2.354 2.354 2.354 . 0 0 "[ ]" 1 387 1 23 VAL MG2 1 50 ALA MB . . 7.200 4.941 4.941 4.941 . 0 0 "[ ]" 1 388 1 23 VAL MG2 1 54 ALA MB . . 5.500 3.635 3.635 3.635 . 0 0 "[ ]" 1 389 1 24 ILE H 1 24 ILE HB . . 3.900 2.520 2.520 2.520 . 0 0 "[ ]" 1 390 1 24 ILE H 1 25 LEU H . . 4.400 4.210 4.210 4.210 . 0 0 "[ ]" 1 391 1 24 ILE H 1 29 VAL MG1 . . 6.100 4.957 4.957 4.957 . 0 0 "[ ]" 1 392 1 24 ILE H 1 53 ASP HA . . 3.500 3.613 3.613 3.613 0.113 1 0 "[ ]" 1 393 1 24 ILE H 1 53 ASP HB3 . . 6.000 5.864 5.864 5.864 . 0 0 "[ ]" 1 394 1 24 ILE H 1 54 ALA H . . 4.700 2.640 2.640 2.640 . 0 0 "[ ]" 1 395 1 24 ILE H 1 54 ALA MB . . 7.000 3.066 3.066 3.066 . 0 0 "[ ]" 1 396 1 24 ILE HA 1 25 LEU H . . 3.200 2.296 2.296 2.296 . 0 0 "[ ]" 1 397 1 24 ILE HA 1 28 LYS H . . 5.800 3.332 3.332 3.332 . 0 0 "[ ]" 1 398 1 24 ILE HA 1 29 VAL HA . . 4.000 2.781 2.781 2.781 . 0 0 "[ ]" 1 399 1 24 ILE HA 1 29 VAL MG1 . . 7.000 3.799 3.799 3.799 . 0 0 "[ ]" 1 400 1 24 ILE HA 1 29 VAL MG2 . . 7.000 3.234 3.234 3.234 . 0 0 "[ ]" 1 401 1 24 ILE HA 1 30 TYR CG . . 8.000 6.450 6.450 6.450 . 0 0 "[ ]" 1 402 1 24 ILE HA 1 30 TYR H . . 4.300 4.185 4.185 4.185 . 0 0 "[ ]" 1 403 1 24 ILE HB 1 53 ASP HB2 . . 6.000 4.382 4.382 4.382 . 0 0 "[ ]" 1 404 1 24 ILE HB 1 53 ASP HB3 . . 6.000 4.216 4.216 4.216 . 0 0 "[ ]" 1 405 1 25 LEU H 1 25 LEU HG . . 5.200 2.988 2.988 2.988 . 0 0 "[ ]" 1 406 1 25 LEU H 1 28 LYS H . . 5.500 2.927 2.927 2.927 . 0 0 "[ ]" 1 407 1 25 LEU H 1 30 TYR CG . . 8.000 5.030 5.030 5.030 . 0 0 "[ ]" 1 408 1 25 LEU H 1 30 TYR CZ . . 8.000 4.837 4.837 4.837 . 0 0 "[ ]" 1 409 1 25 LEU HA 1 25 LEU MD2 . . 3.900 2.005 2.005 2.005 . 0 0 "[ ]" 1 410 1 25 LEU HA 1 26 HIS H . . 3.500 2.109 2.109 2.109 . 0 0 "[ ]" 1 411 1 25 LEU HA 1 26 HIS HA . . 5.400 4.267 4.267 4.267 . 0 0 "[ ]" 1 412 1 25 LEU HA 1 55 THR HA . . 4.700 2.097 2.097 2.097 . 0 0 "[ ]" 1 413 1 25 LEU HA 1 55 THR MG . . 6.900 3.781 3.781 3.781 . 0 0 "[ ]" 1 414 1 25 LEU QB 1 30 TYR CG . . 9.000 3.905 3.905 3.905 . 0 0 "[ ]" 1 415 1 25 LEU MD1 1 30 TYR CG . . 9.000 3.847 3.847 3.847 . 0 0 "[ ]" 1 416 1 25 LEU MD1 1 30 TYR CZ . . 8.500 3.867 3.867 3.867 . 0 0 "[ ]" 1 417 1 25 LEU MD1 1 54 ALA MB . . 8.000 3.599 3.599 3.599 . 0 0 "[ ]" 1 418 1 25 LEU MD1 1 55 THR HA . . 7.000 4.556 4.556 4.556 . 0 0 "[ ]" 1 419 1 25 LEU MD1 1 58 PHE QB . . 8.000 2.841 2.841 2.841 . 0 0 "[ ]" 1 420 1 25 LEU MD2 1 26 HIS H . . 7.000 3.595 3.595 3.595 . 0 0 "[ ]" 1 421 1 25 LEU MD2 1 54 ALA H . . 6.000 3.528 3.528 3.528 . 0 0 "[ ]" 1 422 1 25 LEU MD2 1 54 ALA HA . . 7.000 3.753 3.753 3.753 . 0 0 "[ ]" 1 423 1 25 LEU MD2 1 54 ALA MB . . 5.300 1.914 1.914 1.914 . 0 0 "[ ]" 1 424 1 25 LEU MD2 1 55 THR H . . 6.500 2.493 2.493 2.493 . 0 0 "[ ]" 1 425 1 25 LEU MD2 1 55 THR HA . . 4.900 2.496 2.496 2.496 . 0 0 "[ ]" 1 426 1 25 LEU MD2 1 57 ASN HA . . 7.000 6.386 6.386 6.386 . 0 0 "[ ]" 1 427 1 25 LEU MD2 1 58 PHE H . . 6.600 3.612 3.612 3.612 . 0 0 "[ ]" 1 428 1 25 LEU MD2 1 58 PHE HA . . 7.000 4.113 4.113 4.113 . 0 0 "[ ]" 1 429 1 25 LEU MD2 1 58 PHE QB . . 7.100 1.944 1.944 1.944 . 0 0 "[ ]" 1 430 1 25 LEU MD2 1 59 GLU QG . . 8.000 5.078 5.078 5.078 . 0 0 "[ ]" 1 431 1 25 LEU HG 1 30 TYR CG . . 8.000 4.739 4.739 4.739 . 0 0 "[ ]" 1 432 1 25 LEU HG 1 30 TYR CZ . . 8.000 5.069 5.069 5.069 . 0 0 "[ ]" 1 433 1 26 HIS H 1 26 HIS HA . . 3.100 2.216 2.216 2.216 . 0 0 "[ ]" 1 434 1 26 HIS H 1 27 HIS H . . 4.200 2.515 2.515 2.515 . 0 0 "[ ]" 1 435 1 26 HIS H 1 55 THR HA . . 4.700 2.128 2.128 2.128 . 0 0 "[ ]" 1 436 1 26 HIS H 1 55 THR MG . . 4.400 2.323 2.323 2.323 . 0 0 "[ ]" 1 437 1 26 HIS HA 1 27 HIS H . . 4.300 2.481 2.481 2.481 . 0 0 "[ ]" 1 438 1 26 HIS HA 1 27 HIS HA . . 4.500 4.568 4.568 4.568 0.068 1 0 "[ ]" 1 439 1 26 HIS HA 1 55 THR MG . . 4.900 2.201 2.201 2.201 . 0 0 "[ ]" 1 440 1 26 HIS QB 1 27 HIS H . . 5.900 3.927 3.927 3.927 . 0 0 "[ ]" 1 441 1 26 HIS QB 1 55 THR MG . . 8.000 3.064 3.064 3.064 . 0 0 "[ ]" 1 442 1 27 HIS H 1 27 HIS HA . . 3.100 2.275 2.275 2.275 . 0 0 "[ ]" 1 443 1 27 HIS H 1 27 HIS HE1 . . 6.000 5.480 5.480 5.480 . 0 0 "[ ]" 1 444 1 27 HIS H 1 28 LYS H . . 4.800 2.960 2.960 2.960 . 0 0 "[ ]" 1 445 1 27 HIS H 1 55 THR HA . . 4.400 4.524 4.524 4.524 0.124 1 0 "[ ]" 1 446 1 27 HIS HA 1 79 LEU QD . . 4.300 3.688 3.688 3.688 . 0 0 "[ ]" 1 447 1 27 HIS HA 1 87 ILE QG . . 5.600 3.956 3.956 3.956 . 0 0 "[ ]" 1 448 1 27 HIS QB 1 28 LYS QE . . 8.000 5.410 5.410 5.410 . 0 0 "[ ]" 1 449 1 27 HIS QB 1 78 GLU QB . . 8.000 3.889 3.889 3.889 . 0 0 "[ ]" 1 450 1 27 HIS HD2 1 79 LEU QD . . 6.000 3.252 3.252 3.252 . 0 0 "[ ]" 1 451 1 27 HIS HE1 1 84 ARG QB . . 7.000 5.809 5.809 5.809 . 0 0 "[ ]" 1 452 1 27 HIS HE1 1 84 ARG QD . . 7.000 6.244 6.244 6.244 . 0 0 "[ ]" 1 453 1 28 LYS H 1 29 VAL HA . . 5.300 4.297 4.297 4.297 . 0 0 "[ ]" 1 454 1 28 LYS H 1 30 TYR CZ . . 8.000 6.027 6.027 6.027 . 0 0 "[ ]" 1 455 1 28 LYS H 1 78 GLU HA . . 4.100 4.201 4.201 4.201 0.101 1 0 "[ ]" 1 456 1 28 LYS HA 1 29 VAL H . . 3.800 2.069 2.069 2.069 . 0 0 "[ ]" 1 457 1 28 LYS HA 1 29 VAL MG2 . . 6.000 3.385 3.385 3.385 . 0 0 "[ ]" 1 458 1 28 LYS HA 1 77 GLY H . . 4.900 4.630 4.630 4.630 . 0 0 "[ ]" 1 459 1 28 LYS HA 1 78 GLU HA . . 3.300 2.004 2.004 2.004 . 0 0 "[ ]" 1 460 1 28 LYS HA 1 78 GLU QB . . 7.000 4.161 4.161 4.161 . 0 0 "[ ]" 1 461 1 28 LYS HA 1 78 GLU QG . . 7.000 3.185 3.185 3.185 . 0 0 "[ ]" 1 462 1 28 LYS QB 1 29 VAL H . . 5.400 3.487 3.487 3.487 . 0 0 "[ ]" 1 463 1 28 LYS QB 1 29 VAL MG2 . . 8.000 4.808 4.808 4.808 . 0 0 "[ ]" 1 464 1 28 LYS QB 1 30 TYR CG . . 9.000 4.570 4.570 4.570 . 0 0 "[ ]" 1 465 1 28 LYS QB 1 30 TYR CZ . . 9.000 3.243 3.243 3.243 . 0 0 "[ ]" 1 466 1 28 LYS QB 1 75 ILE MG . . 8.000 3.883 3.883 3.883 . 0 0 "[ ]" 1 467 1 28 LYS QB 1 78 GLU HA . . 6.300 4.091 4.091 4.091 . 0 0 "[ ]" 1 468 1 28 LYS QD 1 30 TYR CZ . . 9.000 4.858 4.858 4.858 . 0 0 "[ ]" 1 469 1 28 LYS QD 1 75 ILE QG . . 8.000 3.255 3.255 3.255 . 0 0 "[ ]" 1 470 1 28 LYS QD 1 75 ILE MG . . 8.000 3.920 3.920 3.920 . 0 0 "[ ]" 1 471 1 28 LYS QD 1 78 GLU HA . . 7.000 4.451 4.451 4.451 . 0 0 "[ ]" 1 472 1 28 LYS QD 1 78 GLU QG . . 8.000 3.265 3.265 3.265 . 0 0 "[ ]" 1 473 1 28 LYS QG 1 30 TYR CZ . . 9.000 4.928 4.928 4.928 . 0 0 "[ ]" 1 474 1 28 LYS QG 1 78 GLU HA . . 7.000 2.495 2.495 2.495 . 0 0 "[ ]" 1 475 1 28 LYS QG 1 78 GLU QG . . 8.000 2.126 2.126 2.126 . 0 0 "[ ]" 1 476 1 29 VAL H 1 29 VAL HB . . 4.100 2.655 2.655 2.655 . 0 0 "[ ]" 1 477 1 29 VAL H 1 77 GLY H . . 4.100 3.028 3.028 3.028 . 0 0 "[ ]" 1 478 1 29 VAL HA 1 30 TYR CG . . 8.000 4.911 4.911 4.911 . 0 0 "[ ]" 1 479 1 29 VAL HA 1 30 TYR H . . 3.500 2.178 2.178 2.178 . 0 0 "[ ]" 1 480 1 29 VAL HA 1 79 LEU QD . . 6.200 4.284 4.284 4.284 . 0 0 "[ ]" 1 481 1 29 VAL HB 1 75 ILE QG . . 7.000 6.171 6.171 6.171 . 0 0 "[ ]" 1 482 1 29 VAL HB 1 76 ILE MD . . 6.100 3.371 3.371 3.371 . 0 0 "[ ]" 1 483 1 29 VAL HB 1 76 ILE HG12 . . 6.000 3.224 3.224 3.224 . 0 0 "[ ]" 1 484 1 29 VAL HB 1 77 GLY H . . 5.700 2.672 2.672 2.672 . 0 0 "[ ]" 1 485 1 29 VAL HB 1 77 GLY HA2 . . 6.000 4.377 4.377 4.377 . 0 0 "[ ]" 1 486 1 29 VAL MG1 1 30 TYR H . . 4.700 2.727 2.727 2.727 . 0 0 "[ ]" 1 487 1 29 VAL MG1 1 31 ASP HA . . 7.000 4.069 4.069 4.069 . 0 0 "[ ]" 1 488 1 29 VAL MG1 1 76 ILE MD . . 4.800 2.120 2.120 2.120 . 0 0 "[ ]" 1 489 1 29 VAL MG1 1 76 ILE HG12 . . 5.300 2.735 2.735 2.735 . 0 0 "[ ]" 1 490 1 29 VAL MG1 1 76 ILE MG . . 7.300 4.271 4.271 4.271 . 0 0 "[ ]" 1 491 1 29 VAL MG1 1 77 GLY H . . 6.400 4.140 4.140 4.140 . 0 0 "[ ]" 1 492 1 29 VAL MG1 1 77 GLY HA3 . . 5.800 4.338 4.338 4.338 . 0 0 "[ ]" 1 493 1 29 VAL MG1 1 78 GLU HA . . 7.000 5.852 5.852 5.852 . 0 0 "[ ]" 1 494 1 29 VAL MG1 1 79 LEU QB . . 8.000 5.837 5.837 5.837 . 0 0 "[ ]" 1 495 1 29 VAL MG1 1 79 LEU QD . . 7.300 3.467 3.467 3.467 . 0 0 "[ ]" 1 496 1 29 VAL MG2 1 77 GLY H . . 7.000 3.738 3.738 3.738 . 0 0 "[ ]" 1 497 1 29 VAL MG2 1 77 GLY HA2 . . 7.000 4.315 4.315 4.315 . 0 0 "[ ]" 1 498 1 29 VAL MG2 1 77 GLY HA3 . . 5.800 3.073 3.073 3.073 . 0 0 "[ ]" 1 499 1 29 VAL MG2 1 78 GLU H . . 6.800 3.493 3.493 3.493 . 0 0 "[ ]" 1 500 1 29 VAL MG2 1 78 GLU HA . . 5.000 3.328 3.328 3.328 . 0 0 "[ ]" 1 501 1 30 TYR CG 1 74 TYR QB . . 9.000 3.343 3.343 3.343 . 0 0 "[ ]" 1 502 1 30 TYR CZ 1 71 SER HA . . 8.000 4.174 4.174 4.174 . 0 0 "[ ]" 1 503 1 30 TYR CZ 1 74 TYR CG . . 10.000 6.535 6.535 6.535 . 0 0 "[ ]" 1 504 1 30 TYR CZ 1 75 ILE QG . . 9.000 3.791 3.791 3.791 . 0 0 "[ ]" 1 505 1 30 TYR H 1 31 ASP H . . 3.900 4.046 4.046 4.046 0.146 1 0 "[ ]" 1 506 1 30 TYR H 1 31 ASP HA . . 4.600 4.619 4.619 4.619 0.019 1 0 "[ ]" 1 507 1 30 TYR H 1 31 ASP HB3 . . 6.000 5.935 5.935 5.935 . 0 0 "[ ]" 1 508 1 30 TYR HA 1 31 ASP H . . 3.400 2.064 2.064 2.064 . 0 0 "[ ]" 1 509 1 30 TYR HA 1 75 ILE HA . . 3.800 3.408 3.408 3.408 . 0 0 "[ ]" 1 510 1 30 TYR HA 1 76 ILE H . . 3.900 2.792 2.792 2.792 . 0 0 "[ ]" 1 511 1 30 TYR HA 1 76 ILE MG . . 6.500 3.292 3.292 3.292 . 0 0 "[ ]" 1 512 1 30 TYR QB 1 32 LEU MD2 . . 6.400 2.986 2.986 2.986 . 0 0 "[ ]" 1 513 1 30 TYR QB 1 74 TYR CG . . 9.000 3.789 3.789 3.789 . 0 0 "[ ]" 1 514 1 31 ASP H 1 31 ASP HB2 . . 3.500 3.768 3.768 3.768 0.268 1 0 "[ ]" 1 515 1 31 ASP H 1 74 TYR CG . . 8.000 5.500 5.500 5.500 . 0 0 "[ ]" 1 516 1 31 ASP H 1 74 TYR QB . . 7.000 3.718 3.718 3.718 . 0 0 "[ ]" 1 517 1 31 ASP H 1 75 ILE H . . 4.800 4.837 4.837 4.837 0.037 1 0 "[ ]" 1 518 1 31 ASP H 1 75 ILE HA . . 5.000 5.090 5.090 5.090 0.090 1 0 "[ ]" 1 519 1 31 ASP H 1 76 ILE MD . . 6.900 3.242 3.242 3.242 . 0 0 "[ ]" 1 520 1 31 ASP H 1 76 ILE HG12 . . 6.000 2.638 2.638 2.638 . 0 0 "[ ]" 1 521 1 31 ASP H 1 76 ILE MG . . 4.500 2.651 2.651 2.651 . 0 0 "[ ]" 1 522 1 31 ASP HA 1 32 LEU H . . 3.900 2.257 2.257 2.257 . 0 0 "[ ]" 1 523 1 31 ASP HA 1 32 LEU MD2 . . 7.000 4.968 4.968 4.968 . 0 0 "[ ]" 1 524 1 31 ASP HA 1 76 ILE MD . . 7.000 3.643 3.643 3.643 . 0 0 "[ ]" 1 525 1 31 ASP HB2 1 32 LEU H . . 5.400 3.224 3.224 3.224 . 0 0 "[ ]" 1 526 1 31 ASP HB2 1 76 ILE MD . . 5.700 3.658 3.658 3.658 . 0 0 "[ ]" 1 527 1 31 ASP HB2 1 76 ILE HG12 . . 6.000 5.251 5.251 5.251 . 0 0 "[ ]" 1 528 1 31 ASP HB2 1 76 ILE MG . . 4.200 4.264 4.264 4.264 0.064 1 0 "[ ]" 1 529 1 31 ASP HB3 1 32 LEU H . . 5.100 4.378 4.378 4.378 . 0 0 "[ ]" 1 530 1 32 LEU H 1 32 LEU MD1 . . 4.700 2.972 2.972 2.972 . 0 0 "[ ]" 1 531 1 32 LEU H 1 32 LEU MD2 . . 4.300 3.973 3.973 3.973 . 0 0 "[ ]" 1 532 1 32 LEU H 1 32 LEU HG . . 4.000 2.407 2.407 2.407 . 0 0 "[ ]" 1 533 1 32 LEU QB 1 46 LEU MD2 . . 8.000 3.840 3.840 3.840 . 0 0 "[ ]" 1 534 1 32 LEU QB 1 74 TYR CG . . 9.000 5.522 5.522 5.522 . 0 0 "[ ]" 1 535 1 32 LEU MD1 1 46 LEU H . . 5.700 5.343 5.343 5.343 . 0 0 "[ ]" 1 536 1 32 LEU MD2 1 35 PHE HB3 . . 4.800 3.685 3.685 3.685 . 0 0 "[ ]" 1 537 1 32 LEU MD2 1 36 LEU MD1 . . 5.500 5.600 5.600 5.600 0.100 1 0 "[ ]" 1 538 1 33 THR HA 1 36 LEU H . . 6.000 4.299 4.299 4.299 . 0 0 "[ ]" 1 539 1 33 THR HA 1 36 LEU QB . . 7.000 4.210 4.210 4.210 . 0 0 "[ ]" 1 540 1 33 THR MG 1 34 LYS H . . 7.000 4.178 4.178 4.178 . 0 0 "[ ]" 1 541 1 34 LYS H 1 34 LYS QD . . 6.200 5.235 5.235 5.235 . 0 0 "[ ]" 1 542 1 34 LYS H 1 34 LYS QE . . 5.600 4.809 4.809 4.809 . 0 0 "[ ]" 1 543 1 34 LYS H 1 35 PHE H . . 4.500 2.134 2.134 2.134 . 0 0 "[ ]" 1 544 1 34 LYS H 1 36 LEU H . . 6.000 2.473 2.473 2.473 . 0 0 "[ ]" 1 545 1 34 LYS H 1 38 GLU H . . 6.000 5.999 5.999 5.999 . 0 0 "[ ]" 1 546 1 34 LYS HA 1 35 PHE H . . 4.600 3.514 3.514 3.514 . 0 0 "[ ]" 1 547 1 34 LYS HA 1 36 LEU H . . 6.000 4.088 4.088 4.088 . 0 0 "[ ]" 1 548 1 34 LYS HA 1 37 GLU H . . 6.000 4.018 4.018 4.018 . 0 0 "[ ]" 1 549 1 34 LYS HA 1 37 GLU HB2 . . 4.900 4.396 4.396 4.396 . 0 0 "[ ]" 1 550 1 34 LYS QB 1 35 PHE CG . . 9.000 5.591 5.591 5.591 . 0 0 "[ ]" 1 551 1 34 LYS QB 1 37 GLU H . . 7.000 5.245 5.245 5.245 . 0 0 "[ ]" 1 552 1 35 PHE CG 1 36 LEU QB . . 9.000 6.166 6.166 6.166 . 0 0 "[ ]" 1 553 1 35 PHE CG 1 38 GLU HB3 . . 8.000 3.359 3.359 3.359 . 0 0 "[ ]" 1 554 1 35 PHE CG 1 39 HIS HB3 . . 8.000 5.547 5.547 5.547 . 0 0 "[ ]" 1 555 1 35 PHE CG 1 40 PRO QG . . 9.000 8.121 8.121 8.121 . 0 0 "[ ]" 1 556 1 35 PHE CG 1 46 LEU MD1 . . 8.100 4.015 4.015 4.015 . 0 0 "[ ]" 1 557 1 35 PHE CG 1 46 LEU MD2 . . 8.900 4.725 4.725 4.725 . 0 0 "[ ]" 1 558 1 35 PHE CG 1 70 LEU MD2 . . 9.000 4.999 4.999 4.999 . 0 0 "[ ]" 1 559 1 35 PHE CG 1 74 TYR CZ . . 10.000 5.803 5.803 5.803 . 0 0 "[ ]" 1 560 1 35 PHE CZ 1 39 HIS HA . . 8.000 3.025 3.025 3.025 . 0 0 "[ ]" 1 561 1 35 PHE CZ 1 39 HIS HB2 . . 8.000 3.263 3.263 3.263 . 0 0 "[ ]" 1 562 1 35 PHE CZ 1 40 PRO HA . . 8.000 7.505 7.505 7.505 . 0 0 "[ ]" 1 563 1 35 PHE CZ 1 40 PRO HD2 . . 8.000 4.320 4.320 4.320 . 0 0 "[ ]" 1 564 1 35 PHE CZ 1 40 PRO QG . . 9.000 5.894 5.894 5.894 . 0 0 "[ ]" 1 565 1 35 PHE CZ 1 46 LEU MD1 . . 9.000 4.467 4.467 4.467 . 0 0 "[ ]" 1 566 1 35 PHE CZ 1 70 LEU HG . . 8.000 5.830 5.830 5.830 . 0 0 "[ ]" 1 567 1 35 PHE H 1 35 PHE HB2 . . 3.700 2.323 2.323 2.323 . 0 0 "[ ]" 1 568 1 35 PHE H 1 35 PHE HB3 . . 3.400 2.502 2.502 2.502 . 0 0 "[ ]" 1 569 1 35 PHE H 1 36 LEU H . . 3.400 2.829 2.829 2.829 . 0 0 "[ ]" 1 570 1 35 PHE H 1 36 LEU HG . . 6.000 4.719 4.719 4.719 . 0 0 "[ ]" 1 571 1 35 PHE HA 1 36 LEU H . . 5.000 3.509 3.509 3.509 . 0 0 "[ ]" 1 572 1 35 PHE HA 1 38 GLU H . . 6.000 3.026 3.026 3.026 . 0 0 "[ ]" 1 573 1 35 PHE HA 1 38 GLU HB2 . . 5.800 2.540 2.540 2.540 . 0 0 "[ ]" 1 574 1 35 PHE HA 1 39 HIS H . . 6.000 3.863 3.863 3.863 . 0 0 "[ ]" 1 575 1 35 PHE HB2 1 36 LEU H . . 4.000 4.057 4.057 4.057 0.057 1 0 "[ ]" 1 576 1 35 PHE HB2 1 39 HIS HB2 . . 6.000 5.842 5.842 5.842 . 0 0 "[ ]" 1 577 1 35 PHE HB2 1 74 TYR CZ . . 8.000 4.948 4.948 4.948 . 0 0 "[ ]" 1 578 1 35 PHE HZ 1 39 HIS HA . . 6.000 2.717 2.717 2.717 . 0 0 "[ ]" 1 579 1 35 PHE HZ 1 39 HIS HB3 . . 6.000 4.947 4.947 4.947 . 0 0 "[ ]" 1 580 1 35 PHE HZ 1 40 PRO HD2 . . 5.200 3.504 3.504 3.504 . 0 0 "[ ]" 1 581 1 35 PHE HZ 1 40 PRO QG . . 7.000 5.076 5.076 5.076 . 0 0 "[ ]" 1 582 1 35 PHE HZ 1 46 LEU MD1 . . 6.400 4.926 4.926 4.926 . 0 0 "[ ]" 1 583 1 35 PHE HZ 1 46 LEU MD2 . . 6.800 5.080 5.080 5.080 . 0 0 "[ ]" 1 584 1 35 PHE HZ 1 70 LEU HG . . 6.000 5.692 5.692 5.692 . 0 0 "[ ]" 1 585 1 35 PHE HZ 1 74 TYR CZ . . 8.000 7.717 7.717 7.717 . 0 0 "[ ]" 1 586 1 36 LEU H 1 36 LEU MD1 . . 4.900 3.348 3.348 3.348 . 0 0 "[ ]" 1 587 1 36 LEU H 1 36 LEU MD2 . . 4.900 3.675 3.675 3.675 . 0 0 "[ ]" 1 588 1 36 LEU H 1 36 LEU HG . . 3.800 2.316 2.316 2.316 . 0 0 "[ ]" 1 589 1 36 LEU H 1 37 GLU H . . 3.800 3.038 3.038 3.038 . 0 0 "[ ]" 1 590 1 36 LEU H 1 46 LEU MD1 . . 7.000 3.315 3.315 3.315 . 0 0 "[ ]" 1 591 1 36 LEU HA 1 36 LEU MD2 . . 3.900 2.159 2.159 2.159 . 0 0 "[ ]" 1 592 1 36 LEU HA 1 36 LEU HG . . 3.600 2.744 2.744 2.744 . 0 0 "[ ]" 1 593 1 36 LEU HA 1 37 GLU H . . 5.200 3.550 3.550 3.550 . 0 0 "[ ]" 1 594 1 36 LEU HA 1 37 GLU HA . . 5.100 4.769 4.769 4.769 . 0 0 "[ ]" 1 595 1 36 LEU HA 1 39 HIS H . . 5.900 4.204 4.204 4.204 . 0 0 "[ ]" 1 596 1 36 LEU HA 1 39 HIS HB2 . . 5.900 4.185 4.185 4.185 . 0 0 "[ ]" 1 597 1 36 LEU HA 1 43 GLU HA . . 4.200 2.750 2.750 2.750 . 0 0 "[ ]" 1 598 1 36 LEU HA 1 43 GLU QG . . 7.000 5.214 5.214 5.214 . 0 0 "[ ]" 1 599 1 36 LEU HA 1 46 LEU MD1 . . 4.400 1.964 1.964 1.964 . 0 0 "[ ]" 1 600 1 36 LEU QB 1 37 GLU H . . 5.300 2.452 2.452 2.452 . 0 0 "[ ]" 1 601 1 36 LEU QB 1 46 LEU MD1 . . 7.500 3.631 3.631 3.631 . 0 0 "[ ]" 1 602 1 36 LEU MD1 1 46 LEU HB2 . . 5.300 4.477 4.477 4.477 . 0 0 "[ ]" 1 603 1 36 LEU MD1 1 46 LEU MD1 . . 6.100 4.161 4.161 4.161 . 0 0 "[ ]" 1 604 1 36 LEU MD2 1 43 GLU HA . . 5.300 2.070 2.070 2.070 . 0 0 "[ ]" 1 605 1 36 LEU MD2 1 43 GLU QG . . 7.600 3.929 3.929 3.929 . 0 0 "[ ]" 1 606 1 36 LEU MD2 1 46 LEU HA . . 7.000 4.536 4.536 4.536 . 0 0 "[ ]" 1 607 1 36 LEU MD2 1 46 LEU HB2 . . 4.700 2.048 2.048 2.048 . 0 0 "[ ]" 1 608 1 36 LEU MD2 1 46 LEU HB3 . . 4.900 2.913 2.913 2.913 . 0 0 "[ ]" 1 609 1 36 LEU MD2 1 46 LEU MD1 . . 5.100 2.229 2.229 2.229 . 0 0 "[ ]" 1 610 1 36 LEU MD2 1 47 ARG H . . 7.000 2.995 2.995 2.995 . 0 0 "[ ]" 1 611 1 37 GLU H 1 37 GLU HB2 . . 4.200 2.275 2.275 2.275 . 0 0 "[ ]" 1 612 1 37 GLU H 1 37 GLU HB3 . . 3.500 2.539 2.539 2.539 . 0 0 "[ ]" 1 613 1 37 GLU H 1 38 GLU H . . 3.800 2.524 2.524 2.524 . 0 0 "[ ]" 1 614 1 37 GLU H 1 39 HIS H . . 6.000 4.439 4.439 4.439 . 0 0 "[ ]" 1 615 1 37 GLU H 1 43 GLU QG . . 7.000 6.270 6.270 6.270 . 0 0 "[ ]" 1 616 1 37 GLU HA 1 37 GLU HB2 . . 2.800 2.577 2.577 2.577 . 0 0 "[ ]" 1 617 1 37 GLU HA 1 38 GLU H . . 4.700 3.449 3.449 3.449 . 0 0 "[ ]" 1 618 1 37 GLU HA 1 38 GLU HA . . 4.800 4.782 4.782 4.782 . 0 0 "[ ]" 1 619 1 37 GLU HA 1 39 HIS H . . 5.400 4.984 4.984 4.984 . 0 0 "[ ]" 1 620 1 37 GLU HB2 1 38 GLU H . . 5.100 4.026 4.026 4.026 . 0 0 "[ ]" 1 621 1 37 GLU HB3 1 38 GLU H . . 4.300 3.148 3.148 3.148 . 0 0 "[ ]" 1 622 1 38 GLU H 1 39 HIS H . . 4.200 2.252 2.252 2.252 . 0 0 "[ ]" 1 623 1 38 GLU HA 1 39 HIS H . . 4.700 3.578 3.578 3.578 . 0 0 "[ ]" 1 624 1 38 GLU HB3 1 39 HIS H . . 5.000 2.555 2.555 2.555 . 0 0 "[ ]" 1 625 1 38 GLU HB3 1 39 HIS HA . . 4.800 4.022 4.022 4.022 . 0 0 "[ ]" 1 626 1 39 HIS H 1 39 HIS HB2 . . 4.200 2.284 2.284 2.284 . 0 0 "[ ]" 1 627 1 39 HIS H 1 39 HIS HB3 . . 3.800 2.659 2.659 2.659 . 0 0 "[ ]" 1 628 1 39 HIS HA 1 40 PRO HD2 . . 5.600 2.288 2.288 2.288 . 0 0 "[ ]" 1 629 1 39 HIS HA 1 40 PRO HD3 . . 5.300 2.614 2.614 2.614 . 0 0 "[ ]" 1 630 1 39 HIS HA 1 42 GLY H . . 6.000 4.506 4.506 4.506 . 0 0 "[ ]" 1 631 1 39 HIS HA 1 46 LEU MD1 . . 7.000 4.507 4.507 4.507 . 0 0 "[ ]" 1 632 1 39 HIS HB2 1 40 PRO HD3 . . 6.000 5.025 5.025 5.025 . 0 0 "[ ]" 1 633 1 39 HIS HB2 1 41 GLY H . . 6.000 4.504 4.504 4.504 . 0 0 "[ ]" 1 634 1 39 HIS HB2 1 42 GLY HA3 . . 6.000 6.070 6.070 6.070 0.070 1 0 "[ ]" 1 635 1 39 HIS HB2 1 46 LEU MD1 . . 6.100 2.235 2.235 2.235 . 0 0 "[ ]" 1 636 1 39 HIS HB3 1 40 PRO HD3 . . 6.000 5.077 5.077 5.077 . 0 0 "[ ]" 1 637 1 39 HIS HB3 1 46 LEU MD1 . . 5.900 2.727 2.727 2.727 . 0 0 "[ ]" 1 638 1 40 PRO HA 1 40 PRO HD2 . . 4.600 4.084 4.084 4.084 . 0 0 "[ ]" 1 639 1 40 PRO HA 1 40 PRO HD3 . . 4.100 3.461 3.461 3.461 . 0 0 "[ ]" 1 640 1 40 PRO HA 1 41 GLY H . . 5.300 3.450 3.450 3.450 . 0 0 "[ ]" 1 641 1 40 PRO HA 1 41 GLY HA3 . . 4.900 5.123 5.123 5.123 0.223 1 0 "[ ]" 1 642 1 40 PRO QB 1 41 GLY HA2 . . 6.000 4.381 4.381 4.381 . 0 0 "[ ]" 1 643 1 40 PRO QG 1 41 GLY HA3 . . 7.000 4.165 4.165 4.165 . 0 0 "[ ]" 1 644 1 41 GLY HA2 1 45 VAL MG2 . . 7.000 4.372 4.372 4.372 . 0 0 "[ ]" 1 645 1 41 GLY HA3 1 45 VAL HB . . 5.600 5.608 5.608 5.608 0.008 1 0 "[ ]" 1 646 1 41 GLY HA3 1 45 VAL MG2 . . 5.300 3.089 3.089 3.089 . 0 0 "[ ]" 1 647 1 42 GLY H 1 43 GLU H . . 4.400 4.513 4.513 4.513 0.113 1 0 "[ ]" 1 648 1 42 GLY HA2 1 43 GLU H . . 4.100 2.713 2.713 2.713 . 0 0 "[ ]" 1 649 1 42 GLY HA2 1 44 GLU QB . . 7.000 6.254 6.254 6.254 . 0 0 "[ ]" 1 650 1 42 GLY HA3 1 43 GLU H . . 3.900 2.252 2.252 2.252 . 0 0 "[ ]" 1 651 1 42 GLY HA3 1 43 GLU HB2 . . 5.600 5.807 5.807 5.807 0.207 1 0 "[ ]" 1 652 1 43 GLU H 1 43 GLU HB2 . . 4.000 3.633 3.633 3.633 . 0 0 "[ ]" 1 653 1 43 GLU H 1 43 GLU HB3 . . 4.000 2.882 2.882 2.882 . 0 0 "[ ]" 1 654 1 43 GLU H 1 45 VAL H . . 6.000 5.279 5.279 5.279 . 0 0 "[ ]" 1 655 1 43 GLU HA 1 44 GLU H . . 4.900 3.563 3.563 3.563 . 0 0 "[ ]" 1 656 1 43 GLU HA 1 44 GLU HA . . 5.200 5.030 5.030 5.030 . 0 0 "[ ]" 1 657 1 43 GLU HA 1 46 LEU HB2 . . 5.100 3.057 3.057 3.057 . 0 0 "[ ]" 1 658 1 43 GLU HA 1 46 LEU HB3 . . 5.600 4.669 4.669 4.669 . 0 0 "[ ]" 1 659 1 43 GLU HA 1 46 LEU MD1 . . 6.200 2.370 2.370 2.370 . 0 0 "[ ]" 1 660 1 43 GLU HA 1 47 ARG H . . 6.000 3.752 3.752 3.752 . 0 0 "[ ]" 1 661 1 43 GLU HB2 1 44 GLU H . . 5.000 3.342 3.342 3.342 . 0 0 "[ ]" 1 662 1 43 GLU HB2 1 46 LEU MD1 . . 7.000 4.501 4.501 4.501 . 0 0 "[ ]" 1 663 1 43 GLU HB2 1 47 ARG HA . . 4.500 4.994 4.994 4.994 0.494 1 0 "[ ]" 1 664 1 43 GLU HB3 1 44 GLU H . . 5.400 4.051 4.051 4.051 . 0 0 "[ ]" 1 665 1 43 GLU QG 1 44 GLU H . . 7.000 2.025 2.025 2.025 . 0 0 "[ ]" 1 666 1 43 GLU QG 1 44 GLU HA . . 6.800 3.648 3.648 3.648 . 0 0 "[ ]" 1 667 1 43 GLU QG 1 46 LEU MD1 . . 8.000 5.054 5.054 5.054 . 0 0 "[ ]" 1 668 1 44 GLU H 1 45 VAL H . . 4.300 3.423 3.423 3.423 . 0 0 "[ ]" 1 669 1 44 GLU H 1 45 VAL MG2 . . 7.000 4.585 4.585 4.585 . 0 0 "[ ]" 1 670 1 44 GLU H 1 46 LEU H . . 5.400 4.498 4.498 4.498 . 0 0 "[ ]" 1 671 1 44 GLU H 1 47 ARG H . . 6.000 4.649 4.649 4.649 . 0 0 "[ ]" 1 672 1 44 GLU HA 1 45 VAL H . . 4.600 3.568 3.568 3.568 . 0 0 "[ ]" 1 673 1 44 GLU HA 1 46 LEU H . . 5.800 4.464 4.464 4.464 . 0 0 "[ ]" 1 674 1 44 GLU HA 1 47 ARG H . . 4.900 3.896 3.896 3.896 . 0 0 "[ ]" 1 675 1 44 GLU HA 1 47 ARG QB . . 5.200 2.735 2.735 2.735 . 0 0 "[ ]" 1 676 1 44 GLU HA 1 48 GLU H . . 5.100 3.786 3.786 3.786 . 0 0 "[ ]" 1 677 1 44 GLU HA 1 48 GLU HB3 . . 4.300 4.333 4.333 4.333 0.033 1 0 "[ ]" 1 678 1 44 GLU HA 1 48 GLU QG . . 7.000 4.732 4.732 4.732 . 0 0 "[ ]" 1 679 1 44 GLU QB 1 45 VAL H . . 5.000 2.189 2.189 2.189 . 0 0 "[ ]" 1 680 1 44 GLU QB 1 45 VAL HA . . 7.000 3.755 3.755 3.755 . 0 0 "[ ]" 1 681 1 44 GLU QB 1 47 ARG QB . . 8.000 4.453 4.453 4.453 . 0 0 "[ ]" 1 682 1 44 GLU QG 1 45 VAL H . . 7.000 4.051 4.051 4.051 . 0 0 "[ ]" 1 683 1 45 VAL H 1 45 VAL HB . . 3.900 3.588 3.588 3.588 . 0 0 "[ ]" 1 684 1 45 VAL H 1 45 VAL MG1 . . 4.000 1.985 1.985 1.985 . 0 0 "[ ]" 1 685 1 45 VAL H 1 45 VAL MG2 . . 4.000 2.250 2.250 2.250 . 0 0 "[ ]" 1 686 1 45 VAL H 1 46 LEU H . . 3.700 2.810 2.810 2.810 . 0 0 "[ ]" 1 687 1 45 VAL H 1 47 ARG H . . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1 688 1 45 VAL HA 1 46 LEU H . . 5.200 3.546 3.546 3.546 . 0 0 "[ ]" 1 689 1 45 VAL HA 1 46 LEU HA . . 6.000 4.804 4.804 4.804 . 0 0 "[ ]" 1 690 1 45 VAL HA 1 47 ARG H . . 6.000 4.746 4.746 4.746 . 0 0 "[ ]" 1 691 1 45 VAL HB 1 46 LEU H . . 4.200 3.981 3.981 3.981 . 0 0 "[ ]" 1 692 1 45 VAL MG1 1 46 LEU HG . . 6.100 4.787 4.787 4.787 . 0 0 "[ ]" 1 693 1 45 VAL MG1 1 48 GLU QG . . 6.300 4.165 4.165 4.165 . 0 0 "[ ]" 1 694 1 45 VAL MG2 1 46 LEU H . . 5.400 2.327 2.327 2.327 . 0 0 "[ ]" 1 695 1 45 VAL MG2 1 46 LEU HA . . 7.000 3.480 3.480 3.480 . 0 0 "[ ]" 1 696 1 45 VAL MG2 1 46 LEU MD1 . . 5.600 3.419 3.419 3.419 . 0 0 "[ ]" 1 697 1 45 VAL MG2 1 46 LEU MD2 . . 4.800 2.936 2.936 2.936 . 0 0 "[ ]" 1 698 1 45 VAL MG2 1 46 LEU HG . . 5.700 2.273 2.273 2.273 . 0 0 "[ ]" 1 699 1 46 LEU H 1 46 LEU HB2 . . 3.700 2.551 2.551 2.551 . 0 0 "[ ]" 1 700 1 46 LEU H 1 46 LEU HB3 . . 3.900 3.628 3.628 3.628 . 0 0 "[ ]" 1 701 1 46 LEU H 1 46 LEU MD1 . . 4.900 3.345 3.345 3.345 . 0 0 "[ ]" 1 702 1 46 LEU H 1 46 LEU MD2 . . 4.700 3.582 3.582 3.582 . 0 0 "[ ]" 1 703 1 46 LEU H 1 46 LEU HG . . 4.000 2.281 2.281 2.281 . 0 0 "[ ]" 1 704 1 46 LEU H 1 47 ARG H . . 3.600 2.366 2.366 2.366 . 0 0 "[ ]" 1 705 1 46 LEU H 1 48 GLU H . . 5.300 4.108 4.108 4.108 . 0 0 "[ ]" 1 706 1 46 LEU HA 1 46 LEU MD2 . . 3.700 2.211 2.211 2.211 . 0 0 "[ ]" 1 707 1 46 LEU HA 1 47 ARG H . . 5.100 3.520 3.520 3.520 . 0 0 "[ ]" 1 708 1 46 LEU HA 1 47 ARG HA . . 4.700 4.773 4.773 4.773 0.073 1 0 "[ ]" 1 709 1 46 LEU HA 1 49 GLN H . . 5.100 3.788 3.788 3.788 . 0 0 "[ ]" 1 710 1 46 LEU HA 1 49 GLN QB . . 6.700 3.585 3.585 3.585 . 0 0 "[ ]" 1 711 1 46 LEU HA 1 50 ALA H . . 6.000 4.938 4.938 4.938 . 0 0 "[ ]" 1 712 1 46 LEU HB2 1 49 GLN QB . . 7.000 6.028 6.028 6.028 . 0 0 "[ ]" 1 713 1 46 LEU HB3 1 47 ARG H . . 4.700 3.464 3.464 3.464 . 0 0 "[ ]" 1 714 1 46 LEU MD1 1 47 ARG QB . . 8.000 4.838 4.838 4.838 . 0 0 "[ ]" 1 715 1 47 ARG H 1 48 GLU H . . 3.600 2.945 2.945 2.945 . 0 0 "[ ]" 1 716 1 47 ARG H 1 49 GLN H . . 5.800 4.191 4.191 4.191 . 0 0 "[ ]" 1 717 1 47 ARG HA 1 48 GLU H . . 5.100 3.608 3.608 3.608 . 0 0 "[ ]" 1 718 1 47 ARG HA 1 49 GLN H . . 6.000 3.959 3.959 3.959 . 0 0 "[ ]" 1 719 1 47 ARG HA 1 50 ALA H . . 4.700 3.517 3.517 3.517 . 0 0 "[ ]" 1 720 1 47 ARG HA 1 50 ALA MB . . 3.600 2.411 2.411 2.411 . 0 0 "[ ]" 1 721 1 47 ARG QB 1 48 GLU H . . 5.200 2.378 2.378 2.378 . 0 0 "[ ]" 1 722 1 48 GLU H 1 48 GLU HB3 . . 3.500 2.418 2.418 2.418 . 0 0 "[ ]" 1 723 1 48 GLU H 1 49 GLN H . . 3.800 2.842 2.842 2.842 . 0 0 "[ ]" 1 724 1 48 GLU H 1 50 ALA H . . 5.400 4.134 4.134 4.134 . 0 0 "[ ]" 1 725 1 48 GLU HA 1 49 GLN H . . 4.700 3.439 3.439 3.439 . 0 0 "[ ]" 1 726 1 48 GLU HA 1 49 GLN HA . . 4.400 4.484 4.484 4.484 0.084 1 0 "[ ]" 1 727 1 48 GLU HA 1 50 ALA H . . 5.200 3.808 3.808 3.808 . 0 0 "[ ]" 1 728 1 48 GLU HB3 1 49 GLN H . . 4.900 4.344 4.344 4.344 . 0 0 "[ ]" 1 729 1 49 GLN H 1 50 ALA H . . 3.500 2.116 2.116 2.116 . 0 0 "[ ]" 1 730 1 49 GLN H 1 50 ALA MB . . 4.100 3.481 3.481 3.481 . 0 0 "[ ]" 1 731 1 49 GLN HA 1 50 ALA H . . 4.700 3.234 3.234 3.234 . 0 0 "[ ]" 1 732 1 49 GLN HA 1 52 GLY H . . 5.100 5.115 5.115 5.115 0.015 1 0 "[ ]" 1 733 1 49 GLN QB 1 50 ALA H . . 6.400 3.597 3.597 3.597 . 0 0 "[ ]" 1 734 1 49 GLN QB 1 57 ASN HA . . 7.000 6.285 6.285 6.285 . 0 0 "[ ]" 1 735 1 49 GLN QG 1 54 ALA MB . . 5.700 2.095 2.095 2.095 . 0 0 "[ ]" 1 736 1 50 ALA H 1 50 ALA MB . . 3.400 2.187 2.187 2.187 . 0 0 "[ ]" 1 737 1 50 ALA H 1 51 GLY H . . 5.200 4.602 4.602 4.602 . 0 0 "[ ]" 1 738 1 50 ALA HA 1 51 GLY H . . 3.000 2.296 2.296 2.296 . 0 0 "[ ]" 1 739 1 50 ALA HA 1 52 GLY H . . 5.400 3.120 3.120 3.120 . 0 0 "[ ]" 1 740 1 50 ALA MB 1 51 GLY H . . 3.400 2.625 2.625 2.625 . 0 0 "[ ]" 1 741 1 50 ALA MB 1 51 GLY HA2 . . 6.000 4.441 4.441 4.441 . 0 0 "[ ]" 1 742 1 51 GLY H 1 52 GLY H . . 3.900 2.762 2.762 2.762 . 0 0 "[ ]" 1 743 1 51 GLY HA2 1 52 GLY H . . 5.300 2.804 2.804 2.804 . 0 0 "[ ]" 1 744 1 51 GLY HA2 1 52 GLY HA3 . . 4.500 4.867 4.867 4.867 0.367 1 0 "[ ]" 1 745 1 51 GLY HA3 1 52 GLY H . . 5.000 3.613 3.613 3.613 . 0 0 "[ ]" 1 746 1 51 GLY HA3 1 52 GLY HA2 . . 4.400 4.718 4.718 4.718 0.318 1 0 "[ ]" 1 747 1 52 GLY HA2 1 53 ASP H . . 5.200 2.439 2.439 2.439 . 0 0 "[ ]" 1 748 1 52 GLY HA3 1 53 ASP H . . 4.700 2.632 2.632 2.632 . 0 0 "[ ]" 1 749 1 53 ASP H 1 53 ASP HB2 . . 3.900 3.504 3.504 3.504 . 0 0 "[ ]" 1 750 1 53 ASP H 1 53 ASP HB3 . . 3.900 2.709 2.709 2.709 . 0 0 "[ ]" 1 751 1 53 ASP HA 1 54 ALA H . . 3.800 2.493 2.493 2.493 . 0 0 "[ ]" 1 752 1 53 ASP HA 1 55 THR H . . 5.800 3.372 3.372 3.372 . 0 0 "[ ]" 1 753 1 53 ASP HA 1 56 GLU H . . 5.200 5.248 5.248 5.248 0.048 1 0 "[ ]" 1 754 1 53 ASP HB3 1 87 ILE QG . . 7.000 2.320 2.320 2.320 . 0 0 "[ ]" 1 755 1 54 ALA H 1 54 ALA MB . . 3.500 2.191 2.191 2.191 . 0 0 "[ ]" 1 756 1 54 ALA H 1 55 THR H . . 3.800 2.806 2.806 2.806 . 0 0 "[ ]" 1 757 1 54 ALA H 1 56 GLU H . . 6.000 5.058 5.058 5.058 . 0 0 "[ ]" 1 758 1 54 ALA HA 1 55 THR H . . 4.100 3.448 3.448 3.448 . 0 0 "[ ]" 1 759 1 54 ALA HA 1 56 GLU QG . . 7.000 4.843 4.843 4.843 . 0 0 "[ ]" 1 760 1 54 ALA HA 1 57 ASN H . . 5.700 3.360 3.360 3.360 . 0 0 "[ ]" 1 761 1 54 ALA HA 1 57 ASN HB3 . . 6.000 3.364 3.364 3.364 . 0 0 "[ ]" 1 762 1 54 ALA HA 1 58 PHE H . . 5.900 3.912 3.912 3.912 . 0 0 "[ ]" 1 763 1 54 ALA MB 1 55 THR H . . 4.500 3.008 3.008 3.008 . 0 0 "[ ]" 1 764 1 54 ALA MB 1 56 GLU QG . . 7.400 5.554 5.554 5.554 . 0 0 "[ ]" 1 765 1 54 ALA MB 1 57 ASN H . . 6.200 4.454 4.454 4.454 . 0 0 "[ ]" 1 766 1 54 ALA MB 1 58 PHE H . . 5.500 3.711 3.711 3.711 . 0 0 "[ ]" 1 767 1 54 ALA MB 1 58 PHE QB . . 8.000 2.990 2.990 2.990 . 0 0 "[ ]" 1 768 1 55 THR H 1 55 THR HB . . 4.100 2.669 2.669 2.669 . 0 0 "[ ]" 1 769 1 55 THR H 1 56 GLU H . . 4.400 3.254 3.254 3.254 . 0 0 "[ ]" 1 770 1 55 THR H 1 56 GLU HB2 . . 5.600 5.619 5.619 5.619 0.019 1 0 "[ ]" 1 771 1 55 THR H 1 56 GLU QG . . 7.000 4.257 4.257 4.257 . 0 0 "[ ]" 1 772 1 55 THR H 1 58 PHE H . . 5.900 4.851 4.851 4.851 . 0 0 "[ ]" 1 773 1 55 THR HA 1 55 THR MG . . 3.700 2.453 2.453 2.453 . 0 0 "[ ]" 1 774 1 55 THR HA 1 56 GLU H . . 4.500 3.526 3.526 3.526 . 0 0 "[ ]" 1 775 1 55 THR HA 1 58 PHE H . . 6.000 4.435 4.435 4.435 . 0 0 "[ ]" 1 776 1 55 THR HA 1 58 PHE QB . . 5.500 3.214 3.214 3.214 . 0 0 "[ ]" 1 777 1 55 THR HA 1 59 GLU H . . 6.000 4.264 4.264 4.264 . 0 0 "[ ]" 1 778 1 55 THR HA 1 59 GLU QB . . 7.000 4.959 4.959 4.959 . 0 0 "[ ]" 1 779 1 55 THR HA 1 59 GLU QG . . 7.000 4.311 4.311 4.311 . 0 0 "[ ]" 1 780 1 55 THR HA 1 87 ILE QG . . 7.000 5.849 5.849 5.849 . 0 0 "[ ]" 1 781 1 55 THR HB 1 56 GLU H . . 3.600 2.294 2.294 2.294 . 0 0 "[ ]" 1 782 1 55 THR HB 1 56 GLU HB3 . . 6.000 5.190 5.190 5.190 . 0 0 "[ ]" 1 783 1 55 THR HB 1 58 PHE H . . 6.000 5.540 5.540 5.540 . 0 0 "[ ]" 1 784 1 55 THR MG 1 56 GLU H . . 5.300 2.986 2.986 2.986 . 0 0 "[ ]" 1 785 1 55 THR MG 1 56 GLU HA . . 5.500 3.080 3.080 3.080 . 0 0 "[ ]" 1 786 1 55 THR MG 1 57 ASN H . . 7.000 5.154 5.154 5.154 . 0 0 "[ ]" 1 787 1 55 THR MG 1 58 PHE H . . 7.000 5.142 5.142 5.142 . 0 0 "[ ]" 1 788 1 55 THR MG 1 58 PHE QB . . 8.000 4.566 4.566 4.566 . 0 0 "[ ]" 1 789 1 55 THR MG 1 59 GLU H . . 7.000 4.465 4.465 4.465 . 0 0 "[ ]" 1 790 1 56 GLU H 1 56 GLU HB2 . . 3.000 2.551 2.551 2.551 . 0 0 "[ ]" 1 791 1 56 GLU H 1 56 GLU HB3 . . 4.200 3.523 3.523 3.523 . 0 0 "[ ]" 1 792 1 56 GLU H 1 57 ASN H . . 3.600 2.758 2.758 2.758 . 0 0 "[ ]" 1 793 1 56 GLU H 1 58 PHE H . . 5.500 3.720 3.720 3.720 . 0 0 "[ ]" 1 794 1 56 GLU H 1 59 GLU H . . 6.000 4.673 4.673 4.673 . 0 0 "[ ]" 1 795 1 56 GLU H 1 60 ASP H . . 6.000 5.693 5.693 5.693 . 0 0 "[ ]" 1 796 1 56 GLU HA 1 56 GLU HB2 . . 3.100 3.016 3.016 3.016 . 0 0 "[ ]" 1 797 1 56 GLU HA 1 57 ASN H . . 5.400 3.620 3.620 3.620 . 0 0 "[ ]" 1 798 1 56 GLU HA 1 57 ASN HA . . 4.800 4.727 4.727 4.727 . 0 0 "[ ]" 1 799 1 56 GLU HA 1 59 GLU H . . 6.000 3.498 3.498 3.498 . 0 0 "[ ]" 1 800 1 56 GLU HA 1 59 GLU QB . . 7.000 5.074 5.074 5.074 . 0 0 "[ ]" 1 801 1 56 GLU HA 1 60 ASP H . . 5.900 3.522 3.522 3.522 . 0 0 "[ ]" 1 802 1 56 GLU HA 1 60 ASP HB3 . . 4.800 4.347 4.347 4.347 . 0 0 "[ ]" 1 803 1 56 GLU HB2 1 57 ASN H . . 3.300 2.145 2.145 2.145 . 0 0 "[ ]" 1 804 1 56 GLU HB2 1 57 ASN HA . . 4.900 4.132 4.132 4.132 . 0 0 "[ ]" 1 805 1 56 GLU HB2 1 59 GLU H . . 5.500 5.615 5.615 5.615 0.115 1 0 "[ ]" 1 806 1 56 GLU HB2 1 60 ASP H . . 6.000 5.495 5.495 5.495 . 0 0 "[ ]" 1 807 1 56 GLU QG 1 59 GLU QB . . 8.000 6.412 6.412 6.412 . 0 0 "[ ]" 1 808 1 57 ASN H 1 57 ASN HB3 . . 3.600 2.730 2.730 2.730 . 0 0 "[ ]" 1 809 1 57 ASN H 1 58 PHE H . . 3.400 2.694 2.694 2.694 . 0 0 "[ ]" 1 810 1 57 ASN H 1 58 PHE QB . . 4.900 4.335 4.335 4.335 . 0 0 "[ ]" 1 811 1 57 ASN H 1 59 GLU H . . 6.000 4.700 4.700 4.700 . 0 0 "[ ]" 1 812 1 57 ASN H 1 60 ASP H . . 6.000 4.949 4.949 4.949 . 0 0 "[ ]" 1 813 1 57 ASN HA 1 58 PHE QB . . 5.900 5.036 5.036 5.036 . 0 0 "[ ]" 1 814 1 57 ASN HA 1 59 GLU H . . 6.000 4.850 4.850 4.850 . 0 0 "[ ]" 1 815 1 57 ASN HA 1 60 ASP H . . 5.400 3.946 3.946 3.946 . 0 0 "[ ]" 1 816 1 57 ASN HA 1 60 ASP HB2 . . 6.000 4.582 4.582 4.582 . 0 0 "[ ]" 1 817 1 57 ASN HA 1 60 ASP HB3 . . 5.100 3.172 3.172 3.172 . 0 0 "[ ]" 1 818 1 57 ASN HA 1 61 VAL H . . 6.000 4.566 4.566 4.566 . 0 0 "[ ]" 1 819 1 57 ASN HB3 1 58 PHE H . . 3.400 3.332 3.332 3.332 . 0 0 "[ ]" 1 820 1 57 ASN HB3 1 61 VAL MG1 . . 7.000 6.297 6.297 6.297 . 0 0 "[ ]" 1 821 1 58 PHE H 1 59 GLU H . . 4.000 2.786 2.786 2.786 . 0 0 "[ ]" 1 822 1 58 PHE H 1 59 GLU QG . . 7.000 4.677 4.677 4.677 . 0 0 "[ ]" 1 823 1 58 PHE H 1 60 ASP H . . 5.500 3.996 3.996 3.996 . 0 0 "[ ]" 1 824 1 58 PHE H 1 61 VAL MG1 . . 7.000 5.536 5.536 5.536 . 0 0 "[ ]" 1 825 1 58 PHE HA 1 60 ASP H . . 6.000 4.783 4.783 4.783 . 0 0 "[ ]" 1 826 1 58 PHE HA 1 61 VAL H . . 6.000 4.180 4.180 4.180 . 0 0 "[ ]" 1 827 1 58 PHE QB 1 59 GLU H . . 5.300 2.452 2.452 2.452 . 0 0 "[ ]" 1 828 1 58 PHE QB 1 59 GLU QB . . 8.000 3.910 3.910 3.910 . 0 0 "[ ]" 1 829 1 58 PHE QB 1 59 GLU QG . . 7.900 4.115 4.115 4.115 . 0 0 "[ ]" 1 830 1 58 PHE QB 1 61 VAL H . . 7.000 5.271 5.271 5.271 . 0 0 "[ ]" 1 831 1 58 PHE QB 1 61 VAL MG1 . . 8.000 4.968 4.968 4.968 . 0 0 "[ ]" 1 832 1 58 PHE QB 1 61 VAL MG2 . . 8.000 5.380 5.380 5.380 . 0 0 "[ ]" 1 833 1 58 PHE QB 1 71 SER QB . . 8.000 5.899 5.899 5.899 . 0 0 "[ ]" 1 834 1 59 GLU H 1 60 ASP H . . 4.000 2.531 2.531 2.531 . 0 0 "[ ]" 1 835 1 59 GLU H 1 61 VAL H . . 6.000 4.151 4.151 4.151 . 0 0 "[ ]" 1 836 1 59 GLU QB 1 60 ASP H . . 5.600 3.833 3.833 3.833 . 0 0 "[ ]" 1 837 1 59 GLU QB 1 60 ASP HB2 . . 7.000 5.387 5.387 5.387 . 0 0 "[ ]" 1 838 1 59 GLU QB 1 60 ASP HB3 . . 7.000 5.998 5.998 5.998 . 0 0 "[ ]" 1 839 1 59 GLU QB 1 68 ARG H . . 7.000 6.262 6.262 6.262 . 0 0 "[ ]" 1 840 1 59 GLU QB 1 68 ARG HA . . 7.000 5.228 5.228 5.228 . 0 0 "[ ]" 1 841 1 59 GLU QG 1 60 ASP H . . 7.000 3.098 3.098 3.098 . 0 0 "[ ]" 1 842 1 60 ASP H 1 60 ASP HB2 . . 3.800 2.478 2.478 2.478 . 0 0 "[ ]" 1 843 1 60 ASP H 1 60 ASP HB3 . . 3.200 2.529 2.529 2.529 . 0 0 "[ ]" 1 844 1 60 ASP H 1 61 VAL H . . 3.900 2.785 2.785 2.785 . 0 0 "[ ]" 1 845 1 60 ASP H 1 61 VAL MG1 . . 7.000 5.061 5.061 5.061 . 0 0 "[ ]" 1 846 1 60 ASP H 1 62 GLY H . . 6.000 4.714 4.714 4.714 . 0 0 "[ ]" 1 847 1 60 ASP HA 1 61 VAL H . . 4.700 3.439 3.439 3.439 . 0 0 "[ ]" 1 848 1 60 ASP HA 1 62 GLY H . . 5.200 3.289 3.289 3.289 . 0 0 "[ ]" 1 849 1 60 ASP HB2 1 61 VAL H . . 4.700 4.474 4.474 4.474 . 0 0 "[ ]" 1 850 1 60 ASP HB2 1 62 GLY H . . 5.400 5.430 5.430 5.430 0.030 1 0 "[ ]" 1 851 1 60 ASP HB3 1 61 VAL H . . 4.600 3.681 3.681 3.681 . 0 0 "[ ]" 1 852 1 60 ASP HB3 1 61 VAL MG1 . . 7.000 5.701 5.701 5.701 . 0 0 "[ ]" 1 853 1 60 ASP HB3 1 62 GLY H . . 5.000 4.961 4.961 4.961 . 0 0 "[ ]" 1 854 1 61 VAL H 1 61 VAL HB . . 3.500 2.123 2.123 2.123 . 0 0 "[ ]" 1 855 1 61 VAL H 1 61 VAL MG1 . . 3.800 2.815 2.815 2.815 . 0 0 "[ ]" 1 856 1 61 VAL H 1 62 GLY H . . 3.700 2.737 2.737 2.737 . 0 0 "[ ]" 1 857 1 61 VAL H 1 63 HIS HA . . 5.500 5.618 5.618 5.618 0.118 1 0 "[ ]" 1 858 1 61 VAL HA 1 61 VAL MG1 . . 3.700 3.194 3.194 3.194 . 0 0 "[ ]" 1 859 1 61 VAL HA 1 62 GLY H . . 5.300 3.165 3.165 3.165 . 0 0 "[ ]" 1 860 1 61 VAL HA 1 62 GLY HA2 . . 5.100 5.064 5.064 5.064 . 0 0 "[ ]" 1 861 1 61 VAL HA 1 62 GLY HA3 . . 4.800 4.581 4.581 4.581 . 0 0 "[ ]" 1 862 1 61 VAL HB 1 62 GLY H . . 4.300 4.198 4.198 4.198 . 0 0 "[ ]" 1 863 1 61 VAL MG1 1 62 GLY H . . 7.000 3.532 3.532 3.532 . 0 0 "[ ]" 1 864 1 61 VAL MG1 1 63 HIS H . . 5.400 2.665 2.665 2.665 . 0 0 "[ ]" 1 865 1 61 VAL MG1 1 63 HIS HA . . 6.700 3.213 3.213 3.213 . 0 0 "[ ]" 1 866 1 61 VAL MG2 1 62 GLY H . . 6.500 4.454 4.454 4.454 . 0 0 "[ ]" 1 867 1 61 VAL MG2 1 63 HIS HA . . 7.000 5.535 5.535 5.535 . 0 0 "[ ]" 1 868 1 62 GLY H 1 63 HIS H . . 4.100 2.506 2.506 2.506 . 0 0 "[ ]" 1 869 1 62 GLY HA2 1 63 HIS H . . 5.000 2.951 2.951 2.951 . 0 0 "[ ]" 1 870 1 62 GLY HA3 1 63 HIS H . . 4.400 3.586 3.586 3.586 . 0 0 "[ ]" 1 871 1 63 HIS HA 1 63 HIS HD2 . . 5.000 2.567 2.567 2.567 . 0 0 "[ ]" 1 872 1 63 HIS HA 1 64 SER H . . 3.200 2.297 2.297 2.297 . 0 0 "[ ]" 1 873 1 63 HIS HA 1 64 SER HA . . 4.800 4.516 4.516 4.516 . 0 0 "[ ]" 1 874 1 63 HIS HA 1 67 ALA MB . . 4.300 3.596 3.596 3.596 . 0 0 "[ ]" 1 875 1 63 HIS QB 1 64 SER H . . 7.000 3.132 3.132 3.132 . 0 0 "[ ]" 1 876 1 63 HIS QB 1 67 ALA MB . . 5.700 2.139 2.139 2.139 . 0 0 "[ ]" 1 877 1 63 HIS QB 1 68 ARG HA . . 7.000 4.934 4.934 4.934 . 0 0 "[ ]" 1 878 1 63 HIS HD2 1 67 ALA MB . . 3.600 2.393 2.393 2.393 . 0 0 "[ ]" 1 879 1 64 SER H 1 67 ALA MB . . 3.800 3.192 3.192 3.192 . 0 0 "[ ]" 1 880 1 64 SER H 1 68 ARG H . . 6.000 5.607 5.607 5.607 . 0 0 "[ ]" 1 881 1 64 SER HA 1 65 THR H . . 4.200 2.343 2.343 2.343 . 0 0 "[ ]" 1 882 1 64 SER HA 1 65 THR HA . . 5.000 4.362 4.362 4.362 . 0 0 "[ ]" 1 883 1 64 SER QB 1 65 THR H . . 7.000 2.941 2.941 2.941 . 0 0 "[ ]" 1 884 1 65 THR H 1 65 THR HB . . 4.300 2.702 2.702 2.702 . 0 0 "[ ]" 1 885 1 65 THR H 1 65 THR MG . . 4.300 3.603 3.603 3.603 . 0 0 "[ ]" 1 886 1 65 THR H 1 66 ASP QB . . 7.000 5.030 5.030 5.030 . 0 0 "[ ]" 1 887 1 65 THR H 1 68 ARG H . . 6.000 5.077 5.077 5.077 . 0 0 "[ ]" 1 888 1 65 THR HA 1 66 ASP H . . 5.200 3.559 3.559 3.559 . 0 0 "[ ]" 1 889 1 65 THR HA 1 68 ARG H . . 5.000 3.299 3.299 3.299 . 0 0 "[ ]" 1 890 1 65 THR HA 1 68 ARG QB . . 5.400 2.697 2.697 2.697 . 0 0 "[ ]" 1 891 1 65 THR HB 1 66 ASP H . . 4.400 2.675 2.675 2.675 . 0 0 "[ ]" 1 892 1 65 THR MG 1 66 ASP H . . 6.100 3.822 3.822 3.822 . 0 0 "[ ]" 1 893 1 65 THR MG 1 68 ARG H . . 5.400 4.311 4.311 4.311 . 0 0 "[ ]" 1 894 1 65 THR MG 1 68 ARG HA . . 7.000 5.709 5.709 5.709 . 0 0 "[ ]" 1 895 1 65 THR MG 1 68 ARG QB . . 8.000 3.119 3.119 3.119 . 0 0 "[ ]" 1 896 1 65 THR MG 1 69 GLU H . . 6.300 3.760 3.760 3.760 . 0 0 "[ ]" 1 897 1 65 THR MG 1 69 GLU QB . . 8.000 3.167 3.167 3.167 . 0 0 "[ ]" 1 898 1 65 THR MG 1 69 GLU QG . . 6.400 3.773 3.773 3.773 . 0 0 "[ ]" 1 899 1 66 ASP H 1 67 ALA H . . 4.100 2.914 2.914 2.914 . 0 0 "[ ]" 1 900 1 66 ASP HA 1 69 GLU H . . 5.800 3.325 3.325 3.325 . 0 0 "[ ]" 1 901 1 66 ASP HA 1 69 GLU HA . . 5.400 5.431 5.431 5.431 0.031 1 0 "[ ]" 1 902 1 66 ASP HA 1 69 GLU QB . . 6.700 2.948 2.948 2.948 . 0 0 "[ ]" 1 903 1 66 ASP HA 1 69 GLU QG . . 7.000 4.898 4.898 4.898 . 0 0 "[ ]" 1 904 1 66 ASP QB 1 67 ALA H . . 5.500 2.350 2.350 2.350 . 0 0 "[ ]" 1 905 1 67 ALA H 1 67 ALA MB . . 3.400 2.200 2.200 2.200 . 0 0 "[ ]" 1 906 1 67 ALA H 1 68 ARG H . . 4.000 2.535 2.535 2.535 . 0 0 "[ ]" 1 907 1 67 ALA HA 1 70 LEU H . . 6.000 4.112 4.112 4.112 . 0 0 "[ ]" 1 908 1 67 ALA HA 1 70 LEU HB3 . . 5.700 4.446 4.446 4.446 . 0 0 "[ ]" 1 909 1 67 ALA HA 1 71 SER H . . 6.000 4.841 4.841 4.841 . 0 0 "[ ]" 1 910 1 67 ALA MB 1 68 ARG H . . 3.400 2.855 2.855 2.855 . 0 0 "[ ]" 1 911 1 67 ALA MB 1 70 LEU MD2 . . 8.000 5.445 5.445 5.445 . 0 0 "[ ]" 1 912 1 68 ARG H 1 69 GLU H . . 3.800 2.412 2.412 2.412 . 0 0 "[ ]" 1 913 1 68 ARG H 1 70 LEU H . . 5.300 4.379 4.379 4.379 . 0 0 "[ ]" 1 914 1 68 ARG HA 1 69 GLU H . . 4.300 3.598 3.598 3.598 . 0 0 "[ ]" 1 915 1 68 ARG HA 1 69 GLU HA . . 5.200 4.603 4.603 4.603 . 0 0 "[ ]" 1 916 1 68 ARG HA 1 69 GLU QG . . 7.000 6.199 6.199 6.199 . 0 0 "[ ]" 1 917 1 68 ARG HA 1 70 LEU H . . 6.000 4.782 4.782 4.782 . 0 0 "[ ]" 1 918 1 68 ARG HA 1 71 SER H . . 6.000 3.480 3.480 3.480 . 0 0 "[ ]" 1 919 1 68 ARG HA 1 71 SER HA . . 4.900 5.006 5.006 5.006 0.106 1 0 "[ ]" 1 920 1 68 ARG HA 1 71 SER QB . . 5.800 2.414 2.414 2.414 . 0 0 "[ ]" 1 921 1 68 ARG QB 1 69 GLU H . . 5.500 2.657 2.657 2.657 . 0 0 "[ ]" 1 922 1 68 ARG QB 1 69 GLU QG . . 8.000 4.685 4.685 4.685 . 0 0 "[ ]" 1 923 1 69 GLU H 1 70 LEU H . . 3.900 2.857 2.857 2.857 . 0 0 "[ ]" 1 924 1 69 GLU HA 1 70 LEU H . . 4.700 3.607 3.607 3.607 . 0 0 "[ ]" 1 925 1 69 GLU HA 1 72 LYS H . . 5.600 3.694 3.694 3.694 . 0 0 "[ ]" 1 926 1 69 GLU HA 1 72 LYS QB . . 7.000 4.897 4.897 4.897 . 0 0 "[ ]" 1 927 1 69 GLU HA 1 72 LYS QD . . 7.000 3.607 3.607 3.607 . 0 0 "[ ]" 1 928 1 69 GLU HA 1 72 LYS QG . . 6.100 2.776 2.776 2.776 . 0 0 "[ ]" 1 929 1 69 GLU HA 1 73 THR H . . 6.000 6.007 6.007 6.007 0.007 1 0 "[ ]" 1 930 1 69 GLU QB 1 70 LEU H . . 4.600 2.693 2.693 2.693 . 0 0 "[ ]" 1 931 1 69 GLU QG 1 72 LYS QG . . 8.000 3.280 3.280 3.280 . 0 0 "[ ]" 1 932 1 70 LEU H 1 70 LEU HB3 . . 3.500 2.266 2.266 2.266 . 0 0 "[ ]" 1 933 1 70 LEU H 1 71 SER H . . 4.000 2.679 2.679 2.679 . 0 0 "[ ]" 1 934 1 70 LEU HA 1 71 SER H . . 4.900 3.459 3.459 3.459 . 0 0 "[ ]" 1 935 1 70 LEU HA 1 71 SER QB . . 6.100 5.281 5.281 5.281 . 0 0 "[ ]" 1 936 1 70 LEU HB2 1 71 SER H . . 4.400 4.406 4.406 4.406 0.006 1 0 "[ ]" 1 937 1 70 LEU HB3 1 71 SER H . . 4.000 3.963 3.963 3.963 . 0 0 "[ ]" 1 938 1 70 LEU HB3 1 73 THR HB . . 6.000 5.064 5.064 5.064 . 0 0 "[ ]" 1 939 1 70 LEU MD2 1 74 TYR CG . . 7.600 4.105 4.105 4.105 . 0 0 "[ ]" 1 940 1 70 LEU HG 1 71 SER H . . 6.000 4.560 4.560 4.560 . 0 0 "[ ]" 1 941 1 70 LEU HG 1 74 TYR CZ . . 8.000 5.659 5.659 5.659 . 0 0 "[ ]" 1 942 1 71 SER H 1 72 LYS H . . 4.200 2.743 2.743 2.743 . 0 0 "[ ]" 1 943 1 72 LYS H 1 72 LYS QD . . 5.700 3.970 3.970 3.970 . 0 0 "[ ]" 1 944 1 72 LYS H 1 73 THR H . . 4.000 2.878 2.878 2.878 . 0 0 "[ ]" 1 945 1 72 LYS HA 1 72 LYS QE . . 5.600 3.889 3.889 3.889 . 0 0 "[ ]" 1 946 1 72 LYS HA 1 73 THR H . . 4.200 3.133 3.133 3.133 . 0 0 "[ ]" 1 947 1 72 LYS HA 1 73 THR MG . . 6.100 5.098 5.098 5.098 . 0 0 "[ ]" 1 948 1 72 LYS HA 1 75 ILE H . . 5.600 4.481 4.481 4.481 . 0 0 "[ ]" 1 949 1 72 LYS HA 1 75 ILE QG . . 7.000 2.605 2.605 2.605 . 0 0 "[ ]" 1 950 1 72 LYS QB 1 73 THR H . . 5.400 4.104 4.104 4.104 . 0 0 "[ ]" 1 951 1 72 LYS QB 1 74 TYR CG . . 9.000 7.601 7.601 7.601 . 0 0 "[ ]" 1 952 1 72 LYS QB 1 74 TYR CZ . . 9.000 9.105 9.105 9.105 0.105 1 0 "[ ]" 1 953 1 72 LYS QD 1 73 THR HB . . 6.900 5.610 5.610 5.610 . 0 0 "[ ]" 1 954 1 72 LYS QE 1 73 THR H . . 7.000 3.230 3.230 3.230 . 0 0 "[ ]" 1 955 1 72 LYS QE 1 73 THR HB . . 7.000 3.375 3.375 3.375 . 0 0 "[ ]" 1 956 1 72 LYS QE 1 74 TYR CZ . . 9.000 8.299 8.299 8.299 . 0 0 "[ ]" 1 957 1 73 THR H 1 73 THR HB . . 3.700 2.430 2.430 2.430 . 0 0 "[ ]" 1 958 1 73 THR H 1 73 THR MG . . 4.500 2.599 2.599 2.599 . 0 0 "[ ]" 1 959 1 73 THR H 1 74 TYR H . . 3.800 2.303 2.303 2.303 . 0 0 "[ ]" 1 960 1 73 THR HA 1 74 TYR H . . 4.400 3.565 3.565 3.565 . 0 0 "[ ]" 1 961 1 73 THR HB 1 74 TYR CG . . 8.000 5.518 5.518 5.518 . 0 0 "[ ]" 1 962 1 73 THR HB 1 74 TYR CZ . . 8.000 5.911 5.911 5.911 . 0 0 "[ ]" 1 963 1 73 THR HB 1 74 TYR H . . 4.300 3.829 3.829 3.829 . 0 0 "[ ]" 1 964 1 73 THR HB 1 74 TYR QB . . 6.500 5.794 5.794 5.794 . 0 0 "[ ]" 1 965 1 73 THR MG 1 74 TYR CG . . 9.000 2.837 2.837 2.837 . 0 0 "[ ]" 1 966 1 73 THR MG 1 74 TYR CZ . . 8.900 3.219 3.219 3.219 . 0 0 "[ ]" 1 967 1 73 THR MG 1 74 TYR H . . 7.000 2.361 2.361 2.361 . 0 0 "[ ]" 1 968 1 73 THR MG 1 75 ILE QG . . 7.200 5.241 5.241 5.241 . 0 0 "[ ]" 1 969 1 74 TYR CZ 1 74 TYR H . . 7.000 4.976 4.976 4.976 . 0 0 "[ ]" 1 970 1 74 TYR H 1 75 ILE H . . 3.600 3.104 3.104 3.104 . 0 0 "[ ]" 1 971 1 75 ILE H 1 75 ILE HB . . 3.400 3.456 3.456 3.456 0.056 1 0 "[ ]" 1 972 1 75 ILE H 1 75 ILE MG . . 4.800 4.002 4.002 4.002 . 0 0 "[ ]" 1 973 1 75 ILE HA 1 76 ILE H . . 2.800 2.139 2.139 2.139 . 0 0 "[ ]" 1 974 1 75 ILE HA 1 76 ILE HG12 . . 6.000 4.287 4.287 4.287 . 0 0 "[ ]" 1 975 1 75 ILE HA 1 76 ILE MG . . 5.000 4.169 4.169 4.169 . 0 0 "[ ]" 1 976 1 75 ILE HA 1 77 GLY H . . 4.200 3.017 3.017 3.017 . 0 0 "[ ]" 1 977 1 75 ILE HB 1 77 GLY H . . 5.700 5.044 5.044 5.044 . 0 0 "[ ]" 1 978 1 75 ILE QG 1 76 ILE H . . 7.000 4.274 4.274 4.274 . 0 0 "[ ]" 1 979 1 75 ILE QG 1 77 GLY H . . 7.000 4.461 4.461 4.461 . 0 0 "[ ]" 1 980 1 75 ILE MG 1 76 ILE H . . 4.100 3.378 3.378 3.378 . 0 0 "[ ]" 1 981 1 75 ILE MG 1 76 ILE HG12 . . 6.100 5.233 5.233 5.233 . 0 0 "[ ]" 1 982 1 75 ILE MG 1 77 GLY H . . 3.700 2.731 2.731 2.731 . 0 0 "[ ]" 1 983 1 75 ILE MG 1 77 GLY HA2 . . 4.600 3.422 3.422 3.422 . 0 0 "[ ]" 1 984 1 76 ILE H 1 76 ILE MD . . 5.500 3.915 3.915 3.915 . 0 0 "[ ]" 1 985 1 76 ILE H 1 76 ILE HG12 . . 4.100 2.309 2.309 2.309 . 0 0 "[ ]" 1 986 1 76 ILE H 1 76 ILE HG13 . . 4.400 2.847 2.847 2.847 . 0 0 "[ ]" 1 987 1 76 ILE H 1 76 ILE MG . . 4.200 2.703 2.703 2.703 . 0 0 "[ ]" 1 988 1 76 ILE H 1 77 GLY H . . 3.000 2.174 2.174 2.174 . 0 0 "[ ]" 1 989 1 76 ILE HB 1 76 ILE MD . . 3.600 2.296 2.296 2.296 . 0 0 "[ ]" 1 990 1 76 ILE MD 1 77 GLY H . . 7.000 4.399 4.399 4.399 . 0 0 "[ ]" 1 991 1 76 ILE HG12 1 77 GLY H . . 6.000 3.515 3.515 3.515 . 0 0 "[ ]" 1 992 1 76 ILE HG13 1 77 GLY H . . 6.000 2.819 2.819 2.819 . 0 0 "[ ]" 1 993 1 76 ILE MG 1 77 GLY H . . 6.500 4.228 4.228 4.228 . 0 0 "[ ]" 1 994 1 77 GLY H 1 78 GLU H . . 5.400 4.394 4.394 4.394 . 0 0 "[ ]" 1 995 1 77 GLY HA2 1 78 GLU H . . 4.200 2.583 2.583 2.583 . 0 0 "[ ]" 1 996 1 77 GLY HA2 1 78 GLU HA . . 5.300 4.610 4.610 4.610 . 0 0 "[ ]" 1 997 1 77 GLY HA2 1 78 GLU QG . . 7.000 4.295 4.295 4.295 . 0 0 "[ ]" 1 998 1 77 GLY HA3 1 78 GLU H . . 4.300 2.527 2.527 2.527 . 0 0 "[ ]" 1 999 1 78 GLU H 1 79 LEU H . . 4.900 2.913 2.913 2.913 . 0 0 "[ ]" 1 1000 1 78 GLU HA 1 79 LEU QD . . 4.800 4.258 4.258 4.258 . 0 0 "[ ]" 1 1001 1 79 LEU H 1 79 LEU QD . . 4.400 3.697 3.697 3.697 . 0 0 "[ ]" 1 1002 1 79 LEU H 1 80 HIS H . . 4.300 4.175 4.175 4.175 . 0 0 "[ ]" 1 1003 1 79 LEU QB 1 87 ILE MD . . 7.500 3.704 3.704 3.704 . 0 0 "[ ]" 1 1004 1 79 LEU QD 1 80 HIS H . . 5.600 3.072 3.072 3.072 . 0 0 "[ ]" 1 1005 1 79 LEU QD 1 83 ASP H . . 7.000 4.451 4.451 4.451 . 0 0 "[ ]" 1 1006 1 79 LEU QD 1 83 ASP QB . . 6.100 2.091 2.091 2.091 . 0 0 "[ ]" 1 1007 1 79 LEU QD 1 84 ARG HA . . 6.700 3.770 3.770 3.770 . 0 0 "[ ]" 1 1008 1 79 LEU QD 1 84 ARG QB . . 8.000 4.392 4.392 4.392 . 0 0 "[ ]" 1 1009 1 79 LEU QD 1 87 ILE HB . . 6.700 4.693 4.693 4.693 . 0 0 "[ ]" 1 1010 1 79 LEU QD 1 87 ILE QG . . 5.300 3.356 3.356 3.356 . 0 0 "[ ]" 1 1011 1 79 LEU HG 1 80 HIS H . . 6.000 2.287 2.287 2.287 . 0 0 "[ ]" 1 1012 1 79 LEU HG 1 83 ASP HA . . 6.000 5.516 5.516 5.516 . 0 0 "[ ]" 1 1013 1 80 HIS H 1 80 HIS HD2 . . 6.000 4.866 4.866 4.866 . 0 0 "[ ]" 1 1014 1 80 HIS HA 1 80 HIS HD2 . . 5.200 3.231 3.231 3.231 . 0 0 "[ ]" 1 1015 1 80 HIS HA 1 81 PRO HD2 . . 4.600 2.280 2.280 2.280 . 0 0 "[ ]" 1 1016 1 80 HIS QB 1 82 ASP H . . 7.000 3.511 3.511 3.511 . 0 0 "[ ]" 1 1017 1 80 HIS HD2 1 81 PRO HD2 . . 6.000 3.216 3.216 3.216 . 0 0 "[ ]" 1 1018 1 80 HIS HE1 1 81 PRO HA . . 5.700 5.705 5.705 5.705 0.005 1 0 "[ ]" 1 1019 1 81 PRO HA 1 81 PRO HD3 . . 3.700 3.577 3.577 3.577 . 0 0 "[ ]" 1 1020 1 81 PRO HA 1 82 ASP H . . 5.000 2.517 2.517 2.517 . 0 0 "[ ]" 1 1021 1 81 PRO HA 1 84 ARG H . . 5.800 3.447 3.447 3.447 . 0 0 "[ ]" 1 1022 1 81 PRO HA 1 84 ARG QB . . 6.300 2.429 2.429 2.429 . 0 0 "[ ]" 1 1023 1 81 PRO HA 1 84 ARG QG . . 7.000 4.265 4.265 4.265 . 0 0 "[ ]" 1 1024 1 81 PRO QB 1 82 ASP H . . 5.500 4.012 4.012 4.012 . 0 0 "[ ]" 1 1025 1 81 PRO QB 1 82 ASP QB . . 8.000 4.847 4.847 4.847 . 0 0 "[ ]" 1 1026 1 81 PRO QB 1 83 ASP H . . 6.500 5.812 5.812 5.812 . 0 0 "[ ]" 1 1027 1 81 PRO HD2 1 82 ASP H . . 6.000 4.479 4.479 4.479 . 0 0 "[ ]" 1 1028 1 81 PRO HD3 1 82 ASP H . . 6.000 4.801 4.801 4.801 . 0 0 "[ ]" 1 1029 1 81 PRO QG 1 82 ASP QB . . 8.000 4.491 4.491 4.491 . 0 0 "[ ]" 1 1030 1 82 ASP H 1 83 ASP H . . 3.500 2.100 2.100 2.100 . 0 0 "[ ]" 1 1031 1 82 ASP H 1 84 ARG H . . 5.900 2.265 2.265 2.265 . 0 0 "[ ]" 1 1032 1 82 ASP H 1 84 ARG QD . . 7.000 4.489 4.489 4.489 . 0 0 "[ ]" 1 1033 1 82 ASP H 1 86 LYS QG . . 7.000 5.535 5.535 5.535 . 0 0 "[ ]" 1 1034 1 82 ASP HA 1 83 ASP H . . 4.600 3.562 3.562 3.562 . 0 0 "[ ]" 1 1035 1 82 ASP HA 1 84 ARG H . . 6.000 4.082 4.082 4.082 . 0 0 "[ ]" 1 1036 1 82 ASP HA 1 85 SER QB . . 7.000 4.224 4.224 4.224 . 0 0 "[ ]" 1 1037 1 82 ASP QB 1 83 ASP H . . 5.800 2.207 2.207 2.207 . 0 0 "[ ]" 1 1038 1 82 ASP QB 1 84 ARG QB . . 8.000 4.917 4.917 4.917 . 0 0 "[ ]" 1 1039 1 83 ASP H 1 84 ARG H . . 3.500 2.774 2.774 2.774 . 0 0 "[ ]" 1 1040 1 83 ASP H 1 84 ARG HA . . 5.400 5.406 5.406 5.406 0.006 1 0 "[ ]" 1 1041 1 83 ASP H 1 85 SER H . . 6.000 4.426 4.426 4.426 . 0 0 "[ ]" 1 1042 1 83 ASP HA 1 84 ARG H . . 4.100 3.463 3.463 3.463 . 0 0 "[ ]" 1 1043 1 83 ASP HA 1 86 LYS H . . 6.000 3.227 3.227 3.227 . 0 0 "[ ]" 1 1044 1 83 ASP HA 1 86 LYS HA . . 6.000 5.046 5.046 5.046 . 0 0 "[ ]" 1 1045 1 83 ASP HA 1 86 LYS QB . . 4.800 3.170 3.170 3.170 . 0 0 "[ ]" 1 1046 1 83 ASP HA 1 86 LYS QE . . 7.000 3.056 3.056 3.056 . 0 0 "[ ]" 1 1047 1 83 ASP HA 1 86 LYS QG . . 7.000 1.954 1.954 1.954 . 0 0 "[ ]" 1 1048 1 83 ASP QB 1 86 LYS QB . . 7.000 3.604 3.604 3.604 . 0 0 "[ ]" 1 1049 1 83 ASP QB 1 86 LYS QE . . 7.300 4.524 4.524 4.524 . 0 0 "[ ]" 1 1050 1 83 ASP QB 1 87 ILE MD . . 8.000 2.850 2.850 2.850 . 0 0 "[ ]" 1 1051 1 84 ARG H 1 84 ARG QB . . 3.800 2.085 2.085 2.085 . 0 0 "[ ]" 1 1052 1 84 ARG H 1 86 LYS QG . . 7.000 4.637 4.637 4.637 . 0 0 "[ ]" 1 1053 1 84 ARG HA 1 85 SER H . . 5.100 3.542 3.542 3.542 . 0 0 "[ ]" 1 1054 1 84 ARG HA 1 85 SER HA . . 4.400 4.501 4.501 4.501 0.101 1 0 "[ ]" 1 1055 1 84 ARG HA 1 87 ILE H . . 5.700 4.266 4.266 4.266 . 0 0 "[ ]" 1 1056 1 85 SER QB 1 86 LYS HA . . 6.300 4.595 4.595 4.595 . 0 0 "[ ]" 1 1057 1 86 LYS H 1 86 LYS QB . . 3.600 2.460 2.460 2.460 . 0 0 "[ ]" 1 1058 1 86 LYS H 1 87 ILE H . . 4.500 2.228 2.228 2.228 . 0 0 "[ ]" 1 1059 1 86 LYS HA 1 87 ILE H . . 4.100 3.586 3.586 3.586 . 0 0 "[ ]" 1 1060 1 86 LYS QB 1 87 ILE H . . 4.500 2.417 2.417 2.417 . 0 0 "[ ]" 1 1061 1 86 LYS QB 1 87 ILE HA . . 3.600 3.926 3.926 3.926 0.326 1 0 "[ ]" 1 1062 1 87 ILE H 1 87 ILE HB . . 3.700 2.528 2.528 2.528 . 0 0 "[ ]" 1 1063 1 87 ILE H 1 87 ILE MD . . 4.000 1.911 1.911 1.911 . 0 0 "[ ]" 1 1064 1 87 ILE H 1 88 ALA H . . 4.300 4.309 4.309 4.309 0.009 1 0 "[ ]" 1 1065 1 87 ILE HA 1 87 ILE MD . . 4.600 3.288 3.288 3.288 . 0 0 "[ ]" 1 1066 1 87 ILE HA 1 88 ALA H . . 3.900 2.179 2.179 2.179 . 0 0 "[ ]" 1 1067 1 87 ILE HB 1 88 ALA H . . 4.700 4.429 4.429 4.429 . 0 0 "[ ]" 1 1068 1 87 ILE QG 1 88 ALA H . . 7.000 4.482 4.482 4.482 . 0 0 "[ ]" 1 1069 1 88 ALA H 1 88 ALA MB . . 3.400 2.876 2.876 2.876 . 0 0 "[ ]" 1 stop_ save_
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