NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
390676 | 1opz | 5769 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1opz 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 1400 _Distance_constraint_stats_list.Viol_count 60 _Distance_constraint_stats_list.Viol_total 2.804 _Distance_constraint_stats_list.Viol_max 0.217 _Distance_constraint_stats_list.Viol_rms 0.0130 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0020 _Distance_constraint_stats_list.Viol_average_violations_only 0.0467 _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 3 SER 0.000 0.000 . 0 "[ ]" 1 4 GLU 0.050 0.030 1 0 "[ ]" 1 5 GLN 0.069 0.048 1 0 "[ ]" 1 6 LYS 0.075 0.053 1 0 "[ ]" 1 7 GLU 0.056 0.053 1 0 "[ ]" 1 8 ILE 0.044 0.044 1 0 "[ ]" 1 9 ALA 0.044 0.044 1 0 "[ ]" 1 10 MET 0.122 0.117 1 0 "[ ]" 1 11 GLN 0.117 0.117 1 0 "[ ]" 1 12 VAL 0.066 0.048 1 0 "[ ]" 1 13 SER 0.029 0.029 1 0 "[ ]" 1 14 GLY 0.000 0.000 . 0 "[ ]" 1 15 MET 0.122 0.088 1 0 "[ ]" 1 16 THR 0.000 0.000 . 0 "[ ]" 1 17 CYS 0.063 0.034 1 0 "[ ]" 1 19 ALA 0.000 0.000 . 0 "[ ]" 1 20 CYS 0.029 0.029 1 0 "[ ]" 1 21 ALA 0.000 0.000 . 0 "[ ]" 1 22 ALA 0.044 0.044 1 0 "[ ]" 1 23 ARG 0.019 0.019 1 0 "[ ]" 1 24 ILE 0.000 0.000 . 0 "[ ]" 1 25 GLU 0.115 0.044 1 0 "[ ]" 1 26 LYS 0.172 0.101 1 0 "[ ]" 1 27 GLY 0.074 0.027 1 0 "[ ]" 1 28 LEU 0.151 0.041 1 0 "[ ]" 1 29 LYS 0.144 0.101 1 0 "[ ]" 1 30 ARG 0.056 0.028 1 0 "[ ]" 1 31 MET 0.055 0.041 1 0 "[ ]" 1 32 PRO 0.000 0.000 . 0 "[ ]" 1 33 GLY 0.111 0.111 1 0 "[ ]" 1 34 VAL 0.030 0.030 1 0 "[ ]" 1 35 THR 0.005 0.005 1 0 "[ ]" 1 36 ASP 0.030 0.030 1 0 "[ ]" 1 37 ALA 0.101 0.101 1 0 "[ ]" 1 38 ASN 0.041 0.027 1 0 "[ ]" 1 39 VAL 0.000 0.000 . 0 "[ ]" 1 40 ASN 0.035 0.033 1 0 "[ ]" 1 41 LEU 0.059 0.032 1 0 "[ ]" 1 42 ALA 0.059 0.032 1 0 "[ ]" 1 43 THR 0.217 0.217 1 0 "[ ]" 1 44 GLU 0.089 0.088 1 0 "[ ]" 1 45 THR 0.058 0.058 1 0 "[ ]" 1 46 VAL 0.137 0.058 1 0 "[ ]" 1 47 ASN 0.019 0.014 1 0 "[ ]" 1 48 VAL 0.000 0.000 . 0 "[ ]" 1 49 ILE 0.001 0.001 1 0 "[ ]" 1 50 TYR 0.118 0.111 1 0 "[ ]" 1 51 ASP 0.146 0.097 1 0 "[ ]" 1 52 PRO 0.000 0.000 . 0 "[ ]" 1 53 ALA 0.030 0.030 1 0 "[ ]" 1 54 GLU 0.097 0.097 1 0 "[ ]" 1 55 THR 0.252 0.148 1 0 "[ ]" 1 56 GLY 0.061 0.061 1 0 "[ ]" 1 57 THR 0.091 0.091 1 0 "[ ]" 1 58 ALA 0.023 0.023 1 0 "[ ]" 1 59 ALA 0.112 0.091 1 0 "[ ]" 1 60 ILE 0.014 0.014 1 0 "[ ]" 1 61 GLN 0.085 0.054 1 0 "[ ]" 1 62 GLU 0.095 0.095 1 0 "[ ]" 1 63 LYS 0.087 0.087 1 0 "[ ]" 1 64 ILE 0.134 0.054 1 0 "[ ]" 1 65 GLU 0.111 0.095 1 0 "[ ]" 1 66 LYS 0.010 0.010 1 0 "[ ]" 1 67 LEU 0.145 0.092 1 0 "[ ]" 1 68 GLY 0.000 0.000 . 0 "[ ]" 1 69 TYR 0.049 0.049 1 0 "[ ]" 1 70 HIS 0.210 0.162 1 0 "[ ]" 1 71 VAL 0.093 0.049 1 0 "[ ]" 1 72 VAL 0.000 0.000 . 0 "[ ]" 1 73 ILE 0.000 0.000 . 0 "[ ]" 1 74 GLU 0.000 0.000 . 0 "[ ]" 1 75 GLY 0.000 0.000 . 0 "[ ]" 1 76 ARG 0.000 0.000 . 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 3 SER HA 1 4 GLU H . . 3.400 2.201 2.201 2.201 . 0 0 "[ ]" 1 2 1 3 SER HA 1 53 ALA MB . . 7.000 3.756 3.756 3.756 . 0 0 "[ ]" 1 3 1 3 SER QB 1 5 GLN H . . 7.000 5.241 5.241 5.241 . 0 0 "[ ]" 1 4 1 3 SER QB 1 53 ALA H . . 7.000 4.186 4.186 4.186 . 0 0 "[ ]" 1 5 1 4 GLU H 1 4 GLU HB2 . . 4.100 3.779 3.779 3.779 . 0 0 "[ ]" 1 6 1 4 GLU H 1 4 GLU HB3 . . 3.700 3.292 3.292 3.292 . 0 0 "[ ]" 1 7 1 4 GLU H 1 4 GLU HG2 . . 4.500 2.301 2.301 2.301 . 0 0 "[ ]" 1 8 1 4 GLU H 1 4 GLU HG3 . . 4.500 3.025 3.025 3.025 . 0 0 "[ ]" 1 9 1 4 GLU H 1 5 GLN H . . 4.200 4.220 4.220 4.220 0.020 1 0 "[ ]" 1 10 1 4 GLU H 1 52 PRO QD . . 6.880 3.730 3.730 3.730 . 0 0 "[ ]" 1 11 1 4 GLU H 1 53 ALA H . . 5.900 5.930 5.930 5.930 0.030 1 0 "[ ]" 1 12 1 4 GLU HA 1 5 GLN H . . 2.900 2.102 2.102 2.102 . 0 0 "[ ]" 1 13 1 4 GLU HB2 1 5 GLN H . . 4.400 3.336 3.336 3.336 . 0 0 "[ ]" 1 14 1 4 GLU HB3 1 5 GLN H . . 4.700 4.156 4.156 4.156 . 0 0 "[ ]" 1 15 1 4 GLU QG 1 52 PRO QD . . 6.820 4.471 4.471 4.471 . 0 0 "[ ]" 1 16 1 4 GLU HG2 1 5 GLN H . . 5.900 5.222 5.222 5.222 . 0 0 "[ ]" 1 17 1 4 GLU HG2 1 52 PRO HD2 . . 7.750 5.580 5.580 5.580 . 0 0 "[ ]" 1 18 1 4 GLU HG2 1 52 PRO HD3 . . 7.750 6.613 6.613 6.613 . 0 0 "[ ]" 1 19 1 4 GLU HG3 1 5 GLN H . . 5.900 4.629 4.629 4.629 . 0 0 "[ ]" 1 20 1 4 GLU HG3 1 52 PRO HD2 . . 7.750 5.163 5.163 5.163 . 0 0 "[ ]" 1 21 1 4 GLU HG3 1 52 PRO HD3 . . 7.750 5.762 5.762 5.762 . 0 0 "[ ]" 1 22 1 5 GLN H 1 5 GLN HB3 . . 3.500 2.712 2.712 2.712 . 0 0 "[ ]" 1 23 1 5 GLN H 1 5 GLN HG2 . . 4.200 2.013 2.013 2.013 . 0 0 "[ ]" 1 24 1 5 GLN H 1 5 GLN HG3 . . 4.200 3.052 3.052 3.052 . 0 0 "[ ]" 1 25 1 5 GLN H 1 6 LYS H . . 5.400 4.637 4.637 4.637 . 0 0 "[ ]" 1 26 1 5 GLN H 1 51 ASP HA . . 6.000 4.559 4.559 4.559 . 0 0 "[ ]" 1 27 1 5 GLN H 1 52 PRO HD2 . . 6.000 4.683 4.683 4.683 . 0 0 "[ ]" 1 28 1 5 GLN H 1 52 PRO HD3 . . 6.000 5.380 5.380 5.380 . 0 0 "[ ]" 1 29 1 5 GLN HA 1 5 GLN HE21 . . 5.400 4.010 4.010 4.010 . 0 0 "[ ]" 1 30 1 5 GLN HA 1 5 GLN HE22 . . 5.800 5.653 5.653 5.653 . 0 0 "[ ]" 1 31 1 5 GLN HA 1 6 LYS H . . 3.200 2.376 2.376 2.376 . 0 0 "[ ]" 1 32 1 5 GLN HA 1 49 ILE MG . . 7.000 4.678 4.678 4.678 . 0 0 "[ ]" 1 33 1 5 GLN HA 1 50 TYR H . . 5.200 4.820 4.820 4.820 . 0 0 "[ ]" 1 34 1 5 GLN HA 1 51 ASP H . . 6.000 4.845 4.845 4.845 . 0 0 "[ ]" 1 35 1 5 GLN HA 1 51 ASP HA . . 3.300 2.225 2.225 2.225 . 0 0 "[ ]" 1 36 1 5 GLN HA 1 52 PRO HD2 . . 6.000 2.558 2.558 2.558 . 0 0 "[ ]" 1 37 1 5 GLN HA 1 52 PRO HD3 . . 6.000 2.614 2.614 2.614 . 0 0 "[ ]" 1 38 1 5 GLN HB2 1 6 LYS H . . 3.800 2.428 2.428 2.428 . 0 0 "[ ]" 1 39 1 5 GLN HB2 1 50 TYR H . . 6.000 3.566 3.566 3.566 . 0 0 "[ ]" 1 40 1 5 GLN HB2 1 51 ASP HB2 . . 6.000 3.767 3.767 3.767 . 0 0 "[ ]" 1 41 1 5 GLN HB3 1 6 LYS H . . 4.400 3.742 3.742 3.742 . 0 0 "[ ]" 1 42 1 5 GLN HB3 1 50 TYR H . . 6.000 5.167 5.167 5.167 . 0 0 "[ ]" 1 43 1 5 GLN HB3 1 51 ASP HB2 . . 6.000 2.765 2.765 2.765 . 0 0 "[ ]" 1 44 1 5 GLN HE21 1 35 THR HB . . 6.000 4.593 4.593 4.593 . 0 0 "[ ]" 1 45 1 5 GLN HE21 1 35 THR MG . . 7.000 3.402 3.402 3.402 . 0 0 "[ ]" 1 46 1 5 GLN HE21 1 49 ILE MD . . 7.000 5.868 5.868 5.868 . 0 0 "[ ]" 1 47 1 5 GLN HE21 1 49 ILE MG . . 7.000 3.016 3.016 3.016 . 0 0 "[ ]" 1 48 1 5 GLN HE21 1 51 ASP HA . . 6.000 3.912 3.912 3.912 . 0 0 "[ ]" 1 49 1 5 GLN HE21 1 51 ASP HB2 . . 6.000 3.161 3.161 3.161 . 0 0 "[ ]" 1 50 1 5 GLN HE21 1 51 ASP HB3 . . 6.000 4.773 4.773 4.773 . 0 0 "[ ]" 1 51 1 5 GLN HE22 1 6 LYS H . . 6.000 5.708 5.708 5.708 . 0 0 "[ ]" 1 52 1 5 GLN HE22 1 35 THR HB . . 6.000 3.142 3.142 3.142 . 0 0 "[ ]" 1 53 1 5 GLN HE22 1 35 THR MG . . 7.000 2.017 2.017 2.017 . 0 0 "[ ]" 1 54 1 5 GLN HE22 1 49 ILE MD . . 7.000 5.200 5.200 5.200 . 0 0 "[ ]" 1 55 1 5 GLN HE22 1 49 ILE MG . . 7.000 2.958 2.958 2.958 . 0 0 "[ ]" 1 56 1 5 GLN HE22 1 51 ASP HA . . 6.000 5.612 5.612 5.612 . 0 0 "[ ]" 1 57 1 5 GLN HE22 1 51 ASP HB2 . . 6.000 4.529 4.529 4.529 . 0 0 "[ ]" 1 58 1 5 GLN HE22 1 51 ASP HB3 . . 6.000 6.048 6.048 6.048 0.048 1 0 "[ ]" 1 59 1 5 GLN HG2 1 6 LYS H . . 6.000 4.841 4.841 4.841 . 0 0 "[ ]" 1 60 1 5 GLN HG3 1 6 LYS H . . 6.000 3.875 3.875 3.875 . 0 0 "[ ]" 1 61 1 6 LYS H 1 6 LYS HB2 . . 3.500 2.676 2.676 2.676 . 0 0 "[ ]" 1 62 1 6 LYS H 1 6 LYS HB3 . . 4.200 3.548 3.548 3.548 . 0 0 "[ ]" 1 63 1 6 LYS H 1 6 LYS HG2 . . 4.600 4.112 4.112 4.112 . 0 0 "[ ]" 1 64 1 6 LYS H 1 6 LYS HG3 . . 4.800 4.729 4.729 4.729 . 0 0 "[ ]" 1 65 1 6 LYS H 1 7 GLU H . . 4.700 4.303 4.303 4.303 . 0 0 "[ ]" 1 66 1 6 LYS H 1 50 TYR H . . 3.400 2.889 2.889 2.889 . 0 0 "[ ]" 1 67 1 6 LYS H 1 50 TYR HA . . 6.000 4.681 4.681 4.681 . 0 0 "[ ]" 1 68 1 6 LYS H 1 50 TYR HB3 . . 6.000 5.917 5.917 5.917 . 0 0 "[ ]" 1 69 1 6 LYS H 1 51 ASP HA . . 4.100 3.452 3.452 3.452 . 0 0 "[ ]" 1 70 1 6 LYS H 1 52 PRO HD2 . . 5.600 4.235 4.235 4.235 . 0 0 "[ ]" 1 71 1 6 LYS H 1 52 PRO QD . . 5.280 3.061 3.061 3.061 . 0 0 "[ ]" 1 72 1 6 LYS H 1 52 PRO HD3 . . 5.600 3.140 3.140 3.140 . 0 0 "[ ]" 1 73 1 6 LYS HA 1 6 LYS HB2 . . 3.000 2.947 2.947 2.947 . 0 0 "[ ]" 1 74 1 6 LYS HA 1 6 LYS HG2 . . 3.800 2.303 2.303 2.303 . 0 0 "[ ]" 1 75 1 6 LYS HA 1 7 GLU H . . 2.900 2.121 2.121 2.121 . 0 0 "[ ]" 1 76 1 6 LYS HA 1 50 TYR QD . . 8.000 6.397 6.397 6.397 . 0 0 "[ ]" 1 77 1 6 LYS HA 1 50 TYR QE . . 8.000 6.716 6.716 6.716 . 0 0 "[ ]" 1 78 1 6 LYS HB2 1 7 GLU H . . 4.000 4.053 4.053 4.053 0.053 1 0 "[ ]" 1 79 1 6 LYS HB2 1 50 TYR QD . . 8.000 4.814 4.814 4.814 . 0 0 "[ ]" 1 80 1 6 LYS HB2 1 50 TYR QE . . 8.000 4.688 4.688 4.688 . 0 0 "[ ]" 1 81 1 6 LYS HB3 1 6 LYS HG2 . . 3.000 3.023 3.023 3.023 0.023 1 0 "[ ]" 1 82 1 6 LYS HB3 1 7 GLU H . . 3.700 2.903 2.903 2.903 . 0 0 "[ ]" 1 83 1 6 LYS HB3 1 50 TYR H . . 6.000 4.877 4.877 4.877 . 0 0 "[ ]" 1 84 1 6 LYS HB3 1 50 TYR QD . . 8.000 5.349 5.349 5.349 . 0 0 "[ ]" 1 85 1 6 LYS HB3 1 50 TYR QE . . 8.000 4.815 4.815 4.815 . 0 0 "[ ]" 1 86 1 6 LYS QD 1 7 GLU H . . 7.000 2.039 2.039 2.039 . 0 0 "[ ]" 1 87 1 6 LYS QD 1 50 TYR QE . . 9.000 6.130 6.130 6.130 . 0 0 "[ ]" 1 88 1 6 LYS HG2 1 7 GLU H . . 5.800 3.760 3.760 3.760 . 0 0 "[ ]" 1 89 1 6 LYS HG3 1 7 GLU H . . 6.000 4.502 4.502 4.502 . 0 0 "[ ]" 1 90 1 7 GLU H 1 7 GLU HB2 . . 4.000 3.486 3.486 3.486 . 0 0 "[ ]" 1 91 1 7 GLU H 1 7 GLU HB3 . . 4.000 3.086 3.086 3.086 . 0 0 "[ ]" 1 92 1 7 GLU H 1 8 ILE H . . 4.900 4.463 4.463 4.463 . 0 0 "[ ]" 1 93 1 7 GLU H 1 49 ILE HA . . 6.000 4.375 4.375 4.375 . 0 0 "[ ]" 1 94 1 7 GLU H 1 50 TYR H . . 6.000 4.960 4.960 4.960 . 0 0 "[ ]" 1 95 1 7 GLU HA 1 7 GLU HB2 . . 2.900 2.620 2.620 2.620 . 0 0 "[ ]" 1 96 1 7 GLU HA 1 7 GLU HB3 . . 2.900 2.351 2.351 2.351 . 0 0 "[ ]" 1 97 1 7 GLU HA 1 8 ILE H . . 2.800 2.200 2.200 2.200 . 0 0 "[ ]" 1 98 1 7 GLU HA 1 49 ILE HA . . 2.600 2.200 2.200 2.200 . 0 0 "[ ]" 1 99 1 7 GLU HA 1 49 ILE HB . . 6.000 4.708 4.708 4.708 . 0 0 "[ ]" 1 100 1 7 GLU HA 1 49 ILE QG . . 7.000 2.624 2.624 2.624 . 0 0 "[ ]" 1 101 1 7 GLU HA 1 49 ILE MG . . 7.000 3.376 3.376 3.376 . 0 0 "[ ]" 1 102 1 7 GLU HA 1 50 TYR H . . 3.800 3.803 3.803 3.803 0.003 1 0 "[ ]" 1 103 1 7 GLU HA 1 50 TYR QD . . 8.000 5.332 5.332 5.332 . 0 0 "[ ]" 1 104 1 7 GLU HA 1 50 TYR QE . . 8.000 5.552 5.552 5.552 . 0 0 "[ ]" 1 105 1 7 GLU QB 1 8 ILE H . . 4.470 3.209 3.209 3.209 . 0 0 "[ ]" 1 106 1 7 GLU QB 1 48 VAL H . . 6.880 4.396 4.396 4.396 . 0 0 "[ ]" 1 107 1 7 GLU QB 1 49 ILE MD . . 7.880 3.469 3.469 3.469 . 0 0 "[ ]" 1 108 1 7 GLU QB 1 49 ILE QG . . 7.880 2.260 2.260 2.260 . 0 0 "[ ]" 1 109 1 7 GLU HB2 1 8 ILE H . . 4.700 3.357 3.357 3.357 . 0 0 "[ ]" 1 110 1 7 GLU HB3 1 8 ILE H . . 4.700 4.076 4.076 4.076 . 0 0 "[ ]" 1 111 1 7 GLU QG 1 8 ILE H . . 6.600 4.477 4.477 4.477 . 0 0 "[ ]" 1 112 1 7 GLU QG 1 47 ASN HD21 . . 7.000 6.238 6.238 6.238 . 0 0 "[ ]" 1 113 1 7 GLU QG 1 47 ASN HD22 . . 7.000 4.695 4.695 4.695 . 0 0 "[ ]" 1 114 1 7 GLU QG 1 49 ILE MD . . 8.000 4.760 4.760 4.760 . 0 0 "[ ]" 1 115 1 7 GLU QG 1 49 ILE QG . . 8.000 3.786 3.786 3.786 . 0 0 "[ ]" 1 116 1 7 GLU QG 1 50 TYR H . . 7.000 5.886 5.886 5.886 . 0 0 "[ ]" 1 117 1 8 ILE H 1 8 ILE MD . . 4.900 4.099 4.099 4.099 . 0 0 "[ ]" 1 118 1 8 ILE H 1 8 ILE MG . . 4.400 2.590 2.590 2.590 . 0 0 "[ ]" 1 119 1 8 ILE H 1 9 ALA H . . 5.100 4.376 4.376 4.376 . 0 0 "[ ]" 1 120 1 8 ILE H 1 47 ASN QB . . 7.000 5.402 5.402 5.402 . 0 0 "[ ]" 1 121 1 8 ILE H 1 48 VAL H . . 3.100 2.781 2.781 2.781 . 0 0 "[ ]" 1 122 1 8 ILE H 1 49 ILE HA . . 3.900 3.435 3.435 3.435 . 0 0 "[ ]" 1 123 1 8 ILE H 1 49 ILE MG . . 6.900 5.068 5.068 5.068 . 0 0 "[ ]" 1 124 1 8 ILE H 1 50 TYR QD . . 8.000 4.737 4.737 4.737 . 0 0 "[ ]" 1 125 1 8 ILE H 1 50 TYR QE . . 8.000 4.248 4.248 4.248 . 0 0 "[ ]" 1 126 1 8 ILE HA 1 9 ALA H . . 2.800 2.267 2.267 2.267 . 0 0 "[ ]" 1 127 1 8 ILE HB 1 9 ALA H . . 4.200 4.244 4.244 4.244 0.044 1 0 "[ ]" 1 128 1 8 ILE HB 1 48 VAL MG1 . . 7.000 3.794 3.794 3.794 . 0 0 "[ ]" 1 129 1 8 ILE HB 1 48 VAL MG2 . . 7.000 5.682 5.682 5.682 . 0 0 "[ ]" 1 130 1 8 ILE HB 1 50 TYR QD . . 8.000 4.537 4.537 4.537 . 0 0 "[ ]" 1 131 1 8 ILE HB 1 50 TYR QE . . 8.000 2.983 2.983 2.983 . 0 0 "[ ]" 1 132 1 8 ILE MD 1 9 ALA H . . 5.300 3.483 3.483 3.483 . 0 0 "[ ]" 1 133 1 8 ILE MD 1 50 TYR QD . . 9.000 5.256 5.256 5.256 . 0 0 "[ ]" 1 134 1 8 ILE MD 1 50 TYR QE . . 9.000 3.702 3.702 3.702 . 0 0 "[ ]" 1 135 1 8 ILE MD 1 60 ILE MD . . 8.000 5.388 5.388 5.388 . 0 0 "[ ]" 1 136 1 8 ILE MD 1 73 ILE MG . . 8.000 4.058 4.058 4.058 . 0 0 "[ ]" 1 137 1 8 ILE QG 1 9 ALA H . . 6.400 2.384 2.384 2.384 . 0 0 "[ ]" 1 138 1 8 ILE QG 1 10 MET H . . 7.000 5.146 5.146 5.146 . 0 0 "[ ]" 1 139 1 8 ILE QG 1 48 VAL H . . 7.000 5.295 5.295 5.295 . 0 0 "[ ]" 1 140 1 8 ILE QG 1 50 TYR QD . . 9.000 5.742 5.742 5.742 . 0 0 "[ ]" 1 141 1 8 ILE QG 1 50 TYR QE . . 9.000 3.876 3.876 3.876 . 0 0 "[ ]" 1 142 1 8 ILE MG 1 9 ALA H . . 4.800 3.123 3.123 3.123 . 0 0 "[ ]" 1 143 1 8 ILE MG 1 9 ALA HA . . 7.000 3.409 3.409 3.409 . 0 0 "[ ]" 1 144 1 8 ILE MG 1 48 VAL H . . 5.600 2.686 2.686 2.686 . 0 0 "[ ]" 1 145 1 8 ILE MG 1 48 VAL MG1 . . 7.200 1.979 1.979 1.979 . 0 0 "[ ]" 1 146 1 8 ILE MG 1 48 VAL MG2 . . 7.900 4.024 4.024 4.024 . 0 0 "[ ]" 1 147 1 8 ILE MG 1 50 TYR QD . . 9.000 3.767 3.767 3.767 . 0 0 "[ ]" 1 148 1 8 ILE MG 1 50 TYR QE . . 9.000 2.173 2.173 2.173 . 0 0 "[ ]" 1 149 1 8 ILE MG 1 57 THR HB . . 7.000 3.989 3.989 3.989 . 0 0 "[ ]" 1 150 1 8 ILE MG 1 73 ILE MD . . 8.000 3.616 3.616 3.616 . 0 0 "[ ]" 1 151 1 9 ALA H 1 9 ALA MB . . 3.600 2.619 2.619 2.619 . 0 0 "[ ]" 1 152 1 9 ALA H 1 10 MET H . . 5.200 4.194 4.194 4.194 . 0 0 "[ ]" 1 153 1 9 ALA H 1 10 MET HG2 . . 6.000 4.758 4.758 4.758 . 0 0 "[ ]" 1 154 1 9 ALA HA 1 10 MET H . . 2.900 2.215 2.215 2.215 . 0 0 "[ ]" 1 155 1 9 ALA HA 1 45 THR MG . . 7.000 3.548 3.548 3.548 . 0 0 "[ ]" 1 156 1 9 ALA HA 1 46 VAL H . . 5.400 4.460 4.460 4.460 . 0 0 "[ ]" 1 157 1 9 ALA HA 1 47 ASN H . . 6.000 4.601 4.601 4.601 . 0 0 "[ ]" 1 158 1 9 ALA HA 1 47 ASN HA . . 2.400 2.140 2.140 2.140 . 0 0 "[ ]" 1 159 1 9 ALA HA 1 47 ASN QB . . 7.000 3.324 3.324 3.324 . 0 0 "[ ]" 1 160 1 9 ALA HA 1 48 VAL H . . 3.900 3.692 3.692 3.692 . 0 0 "[ ]" 1 161 1 9 ALA MB 1 46 VAL H . . 7.000 4.754 4.754 4.754 . 0 0 "[ ]" 1 162 1 9 ALA MB 1 47 ASN HA . . 7.000 3.193 3.193 3.193 . 0 0 "[ ]" 1 163 1 9 ALA MB 1 47 ASN QB . . 8.000 2.815 2.815 2.815 . 0 0 "[ ]" 1 164 1 9 ALA MB 1 47 ASN HD21 . . 7.000 5.162 5.162 5.162 . 0 0 "[ ]" 1 165 1 9 ALA MB 1 47 ASN HD22 . . 7.000 4.785 4.785 4.785 . 0 0 "[ ]" 1 166 1 9 ALA MB 1 48 VAL H . . 6.000 4.433 4.433 4.433 . 0 0 "[ ]" 1 167 1 10 MET H 1 10 MET HB3 . . 3.600 3.369 3.369 3.369 . 0 0 "[ ]" 1 168 1 10 MET H 1 10 MET HG2 . . 4.100 2.234 2.234 2.234 . 0 0 "[ ]" 1 169 1 10 MET H 1 10 MET HG3 . . 4.300 3.473 3.473 3.473 . 0 0 "[ ]" 1 170 1 10 MET H 1 11 GLN HA . . 6.000 4.678 4.678 4.678 . 0 0 "[ ]" 1 171 1 10 MET H 1 45 THR HA . . 5.200 4.493 4.493 4.493 . 0 0 "[ ]" 1 172 1 10 MET H 1 45 THR HB . . 6.000 5.565 5.565 5.565 . 0 0 "[ ]" 1 173 1 10 MET H 1 45 THR MG . . 5.100 2.599 2.599 2.599 . 0 0 "[ ]" 1 174 1 10 MET H 1 46 VAL H . . 3.300 2.841 2.841 2.841 . 0 0 "[ ]" 1 175 1 10 MET H 1 46 VAL MG1 . . 6.600 3.415 3.415 3.415 . 0 0 "[ ]" 1 176 1 10 MET H 1 46 VAL QG . . 5.470 3.353 3.353 3.353 . 0 0 "[ ]" 1 177 1 10 MET H 1 46 VAL MG2 . . 6.600 4.899 4.899 4.899 . 0 0 "[ ]" 1 178 1 10 MET H 1 47 ASN HA . . 3.600 3.605 3.605 3.605 0.005 1 0 "[ ]" 1 179 1 10 MET H 1 73 ILE MD . . 6.800 5.508 5.508 5.508 . 0 0 "[ ]" 1 180 1 10 MET HA 1 10 MET HG3 . . 4.200 3.789 3.789 3.789 . 0 0 "[ ]" 1 181 1 10 MET HA 1 11 GLN H . . 2.800 2.637 2.637 2.637 . 0 0 "[ ]" 1 182 1 10 MET HA 1 73 ILE HA . . 4.600 4.544 4.544 4.544 . 0 0 "[ ]" 1 183 1 10 MET HB2 1 11 GLN H . . 3.600 2.357 2.357 2.357 . 0 0 "[ ]" 1 184 1 10 MET HB2 1 11 GLN HE21 . . 6.000 3.015 3.015 3.015 . 0 0 "[ ]" 1 185 1 10 MET HB2 1 11 GLN HE22 . . 6.000 3.724 3.724 3.724 . 0 0 "[ ]" 1 186 1 10 MET HB2 1 46 VAL H . . 6.000 5.531 5.531 5.531 . 0 0 "[ ]" 1 187 1 10 MET HB2 1 73 ILE MG . . 7.000 4.207 4.207 4.207 . 0 0 "[ ]" 1 188 1 10 MET HB3 1 11 GLN H . . 4.300 3.805 3.805 3.805 . 0 0 "[ ]" 1 189 1 10 MET HB3 1 73 ILE MG . . 7.000 3.943 3.943 3.943 . 0 0 "[ ]" 1 190 1 10 MET HG2 1 11 GLN H . . 5.900 4.292 4.292 4.292 . 0 0 "[ ]" 1 191 1 10 MET HG2 1 46 VAL H . . 6.000 3.867 3.867 3.867 . 0 0 "[ ]" 1 192 1 10 MET HG2 1 71 VAL MG1 . . 7.000 5.344 5.344 5.344 . 0 0 "[ ]" 1 193 1 10 MET HG2 1 71 VAL MG2 . . 7.000 3.344 3.344 3.344 . 0 0 "[ ]" 1 194 1 10 MET HG3 1 11 GLN H . . 5.400 3.291 3.291 3.291 . 0 0 "[ ]" 1 195 1 10 MET HG3 1 11 GLN HE21 . . 5.600 4.568 4.568 4.568 . 0 0 "[ ]" 1 196 1 10 MET HG3 1 11 GLN HE22 . . 5.600 5.717 5.717 5.717 0.117 1 0 "[ ]" 1 197 1 10 MET HG3 1 46 VAL H . . 6.000 4.305 4.305 4.305 . 0 0 "[ ]" 1 198 1 11 GLN H 1 12 VAL H . . 4.800 4.508 4.508 4.508 . 0 0 "[ ]" 1 199 1 11 GLN H 1 45 THR MG . . 7.000 4.490 4.490 4.490 . 0 0 "[ ]" 1 200 1 11 GLN H 1 71 VAL MG1 . . 7.000 5.760 5.760 5.760 . 0 0 "[ ]" 1 201 1 11 GLN H 1 71 VAL MG2 . . 7.000 3.507 3.507 3.507 . 0 0 "[ ]" 1 202 1 11 GLN H 1 72 VAL H . . 4.300 3.466 3.466 3.466 . 0 0 "[ ]" 1 203 1 11 GLN H 1 72 VAL HA . . 6.000 5.369 5.369 5.369 . 0 0 "[ ]" 1 204 1 11 GLN H 1 72 VAL MG1 . . 7.000 5.330 5.330 5.330 . 0 0 "[ ]" 1 205 1 11 GLN H 1 72 VAL MG2 . . 6.300 2.810 2.810 2.810 . 0 0 "[ ]" 1 206 1 11 GLN H 1 73 ILE HA . . 5.500 4.331 4.331 4.331 . 0 0 "[ ]" 1 207 1 11 GLN HA 1 11 GLN HE21 . . 5.800 3.792 3.792 3.792 . 0 0 "[ ]" 1 208 1 11 GLN HA 1 11 GLN HE22 . . 5.700 5.309 5.309 5.309 . 0 0 "[ ]" 1 209 1 11 GLN HA 1 12 VAL H . . 2.900 2.325 2.325 2.325 . 0 0 "[ ]" 1 210 1 11 GLN HA 1 45 THR HA . . 2.900 2.094 2.094 2.094 . 0 0 "[ ]" 1 211 1 11 GLN HA 1 45 THR MG . . 7.000 3.516 3.516 3.516 . 0 0 "[ ]" 1 212 1 11 GLN HA 1 46 VAL H . . 4.000 3.398 3.398 3.398 . 0 0 "[ ]" 1 213 1 11 GLN QB 1 13 SER H . . 7.000 5.516 5.516 5.516 . 0 0 "[ ]" 1 214 1 11 GLN QB 1 45 THR HB . . 7.000 5.551 5.551 5.551 . 0 0 "[ ]" 1 215 1 11 GLN QB 1 46 VAL H . . 7.000 5.205 5.205 5.205 . 0 0 "[ ]" 1 216 1 11 GLN QB 1 72 VAL H . . 7.000 3.952 3.952 3.952 . 0 0 "[ ]" 1 217 1 11 GLN QB 1 72 VAL MG1 . . 8.000 4.333 4.333 4.333 . 0 0 "[ ]" 1 218 1 11 GLN HE21 1 45 THR MG . . 7.000 4.304 4.304 4.304 . 0 0 "[ ]" 1 219 1 11 GLN HE21 1 72 VAL H . . 6.000 4.983 4.983 4.983 . 0 0 "[ ]" 1 220 1 11 GLN HE21 1 72 VAL MG1 . . 7.000 5.941 5.941 5.941 . 0 0 "[ ]" 1 221 1 11 GLN HE22 1 45 THR MG . . 6.900 5.693 5.693 5.693 . 0 0 "[ ]" 1 222 1 11 GLN HE22 1 72 VAL H . . 6.000 5.370 5.370 5.370 . 0 0 "[ ]" 1 223 1 11 GLN HE22 1 72 VAL MG1 . . 7.000 5.446 5.446 5.446 . 0 0 "[ ]" 1 224 1 11 GLN QG 1 12 VAL H . . 7.000 4.360 4.360 4.360 . 0 0 "[ ]" 1 225 1 11 GLN QG 1 45 THR HA . . 7.000 3.802 3.802 3.802 . 0 0 "[ ]" 1 226 1 11 GLN QG 1 72 VAL HB . . 7.000 5.279 5.279 5.279 . 0 0 "[ ]" 1 227 1 12 VAL H 1 12 VAL HB . . 3.400 3.063 3.063 3.063 . 0 0 "[ ]" 1 228 1 12 VAL H 1 13 SER H . . 4.700 4.470 4.470 4.470 . 0 0 "[ ]" 1 229 1 12 VAL H 1 44 GLU HA . . 6.000 4.973 4.973 4.973 . 0 0 "[ ]" 1 230 1 12 VAL H 1 44 GLU QB . . 5.980 4.069 4.069 4.069 . 0 0 "[ ]" 1 231 1 12 VAL H 1 45 THR H . . 6.000 5.220 5.220 5.220 . 0 0 "[ ]" 1 232 1 12 VAL H 1 45 THR HA . . 3.600 3.346 3.346 3.346 . 0 0 "[ ]" 1 233 1 12 VAL H 1 45 THR MG . . 7.000 5.282 5.282 5.282 . 0 0 "[ ]" 1 234 1 12 VAL H 1 46 VAL H . . 4.700 4.718 4.718 4.718 0.018 1 0 "[ ]" 1 235 1 12 VAL H 1 46 VAL QG . . 8.160 4.217 4.217 4.217 . 0 0 "[ ]" 1 236 1 12 VAL HA 1 13 SER H . . 2.900 2.292 2.292 2.292 . 0 0 "[ ]" 1 237 1 12 VAL HA 1 71 VAL HA . . 2.700 2.151 2.151 2.151 . 0 0 "[ ]" 1 238 1 12 VAL HA 1 71 VAL HB . . 6.000 3.962 3.962 3.962 . 0 0 "[ ]" 1 239 1 12 VAL HA 1 71 VAL MG1 . . 7.000 4.918 4.918 4.918 . 0 0 "[ ]" 1 240 1 12 VAL HA 1 71 VAL MG2 . . 7.000 3.031 3.031 3.031 . 0 0 "[ ]" 1 241 1 12 VAL HA 1 72 VAL H . . 3.600 3.066 3.066 3.066 . 0 0 "[ ]" 1 242 1 12 VAL HB 1 13 SER H . . 4.400 3.386 3.386 3.386 . 0 0 "[ ]" 1 243 1 12 VAL HB 1 15 MET HG2 . . 6.000 5.116 5.116 5.116 . 0 0 "[ ]" 1 244 1 12 VAL HB 1 70 HIS H . . 6.000 6.048 6.048 6.048 0.048 1 0 "[ ]" 1 245 1 12 VAL MG1 1 13 SER H . . 4.500 2.090 2.090 2.090 . 0 0 "[ ]" 1 246 1 12 VAL MG1 1 14 GLY H . . 7.000 5.137 5.137 5.137 . 0 0 "[ ]" 1 247 1 12 VAL MG1 1 24 ILE MD . . 8.000 2.136 2.136 2.136 . 0 0 "[ ]" 1 248 1 12 VAL MG1 1 45 THR HA . . 7.000 5.849 5.849 5.849 . 0 0 "[ ]" 1 249 1 12 VAL MG1 1 46 VAL H . . 6.900 5.784 5.784 5.784 . 0 0 "[ ]" 1 250 1 12 VAL MG1 1 69 TYR HB2 . . 7.000 3.337 3.337 3.337 . 0 0 "[ ]" 1 251 1 12 VAL MG1 1 69 TYR HB3 . . 7.000 2.788 2.788 2.788 . 0 0 "[ ]" 1 252 1 12 VAL MG1 1 70 HIS H . . 4.400 3.558 3.558 3.558 . 0 0 "[ ]" 1 253 1 12 VAL MG1 1 71 VAL HA . . 7.000 2.489 2.489 2.489 . 0 0 "[ ]" 1 254 1 12 VAL MG1 1 71 VAL HB . . 7.000 2.653 2.653 2.653 . 0 0 "[ ]" 1 255 1 12 VAL MG1 1 71 VAL MG1 . . 8.000 4.048 4.048 4.048 . 0 0 "[ ]" 1 256 1 12 VAL MG1 1 71 VAL MG2 . . 8.000 2.877 2.877 2.877 . 0 0 "[ ]" 1 257 1 12 VAL MG2 1 13 SER H . . 5.700 4.150 4.150 4.150 . 0 0 "[ ]" 1 258 1 12 VAL MG2 1 15 MET HG2 . . 7.000 5.827 5.827 5.827 . 0 0 "[ ]" 1 259 1 12 VAL MG2 1 24 ILE MG . . 8.000 3.609 3.609 3.609 . 0 0 "[ ]" 1 260 1 12 VAL MG2 1 69 TYR QD . . 9.000 5.765 5.765 5.765 . 0 0 "[ ]" 1 261 1 12 VAL MG2 1 69 TYR QE . . 9.000 6.695 6.695 6.695 . 0 0 "[ ]" 1 262 1 12 VAL MG2 1 71 VAL HB . . 7.000 3.728 3.728 3.728 . 0 0 "[ ]" 1 263 1 12 VAL MG2 1 71 VAL MG1 . . 7.900 4.740 4.740 4.740 . 0 0 "[ ]" 1 264 1 12 VAL MG2 1 72 VAL H . . 5.100 4.279 4.279 4.279 . 0 0 "[ ]" 1 265 1 13 SER H 1 14 GLY H . . 5.200 4.448 4.448 4.448 . 0 0 "[ ]" 1 266 1 13 SER H 1 69 TYR HA . . 5.700 5.503 5.503 5.503 . 0 0 "[ ]" 1 267 1 13 SER H 1 69 TYR HB2 . . 6.000 5.130 5.130 5.130 . 0 0 "[ ]" 1 268 1 13 SER H 1 69 TYR QD . . 8.000 4.812 4.812 4.812 . 0 0 "[ ]" 1 269 1 13 SER H 1 70 HIS H . . 3.600 3.382 3.382 3.382 . 0 0 "[ ]" 1 270 1 13 SER H 1 70 HIS HB2 . . 6.000 5.798 5.798 5.798 . 0 0 "[ ]" 1 271 1 13 SER H 1 70 HIS HB3 . . 6.000 5.882 5.882 5.882 . 0 0 "[ ]" 1 272 1 13 SER H 1 71 VAL HA . . 4.000 3.205 3.205 3.205 . 0 0 "[ ]" 1 273 1 13 SER H 1 72 VAL H . . 5.100 4.668 4.668 4.668 . 0 0 "[ ]" 1 274 1 13 SER HA 1 14 GLY H . . 3.000 2.269 2.269 2.269 . 0 0 "[ ]" 1 275 1 13 SER QB 1 14 GLY H . . 4.320 3.647 3.647 3.647 . 0 0 "[ ]" 1 276 1 13 SER QB 1 15 MET H . . 6.880 4.894 4.894 4.894 . 0 0 "[ ]" 1 277 1 13 SER QB 1 72 VAL MG1 . . 7.880 3.650 3.650 3.650 . 0 0 "[ ]" 1 278 1 13 SER QB 1 72 VAL MG2 . . 7.880 3.255 3.255 3.255 . 0 0 "[ ]" 1 279 1 13 SER HB2 1 14 GLY H . . 4.600 4.388 4.388 4.388 . 0 0 "[ ]" 1 280 1 13 SER HB2 1 70 HIS H . . 6.000 4.359 4.359 4.359 . 0 0 "[ ]" 1 281 1 13 SER HB2 1 70 HIS HB2 . . 6.000 5.704 5.704 5.704 . 0 0 "[ ]" 1 282 1 13 SER HB2 1 70 HIS HB3 . . 6.000 5.797 5.797 5.797 . 0 0 "[ ]" 1 283 1 13 SER HB2 1 70 HIS HD2 . . 6.000 3.544 3.544 3.544 . 0 0 "[ ]" 1 284 1 13 SER HB2 1 71 VAL H . . 6.000 6.029 6.029 6.029 0.029 1 0 "[ ]" 1 285 1 13 SER HB3 1 14 GLY H . . 4.600 3.898 3.898 3.898 . 0 0 "[ ]" 1 286 1 13 SER HB3 1 70 HIS H . . 6.000 2.930 2.930 2.930 . 0 0 "[ ]" 1 287 1 13 SER HB3 1 70 HIS HB2 . . 6.000 5.107 5.107 5.107 . 0 0 "[ ]" 1 288 1 13 SER HB3 1 70 HIS HB3 . . 6.000 4.723 4.723 4.723 . 0 0 "[ ]" 1 289 1 13 SER HB3 1 70 HIS HD2 . . 6.000 2.180 2.180 2.180 . 0 0 "[ ]" 1 290 1 13 SER HB3 1 71 VAL H . . 6.000 5.722 5.722 5.722 . 0 0 "[ ]" 1 291 1 14 GLY H 1 15 MET H . . 3.500 2.874 2.874 2.874 . 0 0 "[ ]" 1 292 1 14 GLY H 1 15 MET QG . . 7.000 4.791 4.791 4.791 . 0 0 "[ ]" 1 293 1 14 GLY H 1 69 TYR QD . . 8.000 4.605 4.605 4.605 . 0 0 "[ ]" 1 294 1 14 GLY QA 1 69 TYR HA . . 5.580 4.051 4.051 4.051 . 0 0 "[ ]" 1 295 1 14 GLY QA 1 69 TYR HB3 . . 6.880 3.940 3.940 3.940 . 0 0 "[ ]" 1 296 1 14 GLY QA 1 69 TYR QD . . 8.880 2.418 2.418 2.418 . 0 0 "[ ]" 1 297 1 14 GLY QA 1 69 TYR QE . . 8.880 3.622 3.622 3.622 . 0 0 "[ ]" 1 298 1 14 GLY QA 1 70 HIS H . . 6.880 4.469 4.469 4.469 . 0 0 "[ ]" 1 299 1 15 MET H 1 15 MET HB2 . . 3.700 3.634 3.634 3.634 . 0 0 "[ ]" 1 300 1 15 MET H 1 15 MET HB3 . . 3.700 2.512 2.512 2.512 . 0 0 "[ ]" 1 301 1 15 MET H 1 15 MET HG2 . . 4.000 3.491 3.491 3.491 . 0 0 "[ ]" 1 302 1 15 MET H 1 15 MET HG3 . . 5.200 3.907 3.907 3.907 . 0 0 "[ ]" 1 303 1 15 MET H 1 16 THR H . . 5.200 4.601 4.601 4.601 . 0 0 "[ ]" 1 304 1 15 MET H 1 16 THR MG . . 7.000 4.854 4.854 4.854 . 0 0 "[ ]" 1 305 1 15 MET H 1 17 CYS H . . 6.000 5.556 5.556 5.556 . 0 0 "[ ]" 1 306 1 15 MET H 1 24 ILE MD . . 7.000 3.923 3.923 3.923 . 0 0 "[ ]" 1 307 1 15 MET H 1 41 LEU MD1 . . 7.000 5.847 5.847 5.847 . 0 0 "[ ]" 1 308 1 15 MET H 1 41 LEU MD2 . . 7.000 5.272 5.272 5.272 . 0 0 "[ ]" 1 309 1 15 MET H 1 69 TYR QD . . 8.000 3.152 3.152 3.152 . 0 0 "[ ]" 1 310 1 15 MET HA 1 20 CYS HB2 . . 6.000 3.006 3.006 3.006 . 0 0 "[ ]" 1 311 1 15 MET HA 1 20 CYS HB3 . . 6.000 2.864 2.864 2.864 . 0 0 "[ ]" 1 312 1 15 MET HA 1 69 TYR QD . . 8.000 3.686 3.686 3.686 . 0 0 "[ ]" 1 313 1 15 MET HA 1 69 TYR QE . . 8.000 2.472 2.472 2.472 . 0 0 "[ ]" 1 314 1 15 MET QB 1 17 CYS H . . 5.230 2.940 2.940 2.940 . 0 0 "[ ]" 1 315 1 15 MET QB 1 20 CYS HB2 . . 6.880 2.969 2.969 2.969 . 0 0 "[ ]" 1 316 1 15 MET QB 1 20 CYS HB3 . . 6.880 3.696 3.696 3.696 . 0 0 "[ ]" 1 317 1 15 MET QB 1 24 ILE MD . . 7.880 3.025 3.025 3.025 . 0 0 "[ ]" 1 318 1 15 MET QB 1 41 LEU MD1 . . 7.880 2.739 2.739 2.739 . 0 0 "[ ]" 1 319 1 15 MET QB 1 44 GLU QB . . 7.350 5.867 5.867 5.867 . 0 0 "[ ]" 1 320 1 15 MET QB 1 44 GLU QG . . 7.880 5.843 5.843 5.843 . 0 0 "[ ]" 1 321 1 15 MET QB 1 69 TYR QD . . 8.880 4.184 4.184 4.184 . 0 0 "[ ]" 1 322 1 15 MET QB 1 69 TYR QE . . 8.880 4.015 4.015 4.015 . 0 0 "[ ]" 1 323 1 15 MET HB2 1 17 CYS H . . 6.000 2.974 2.974 2.974 . 0 0 "[ ]" 1 324 1 15 MET HB2 1 41 LEU MD2 . . 7.000 3.214 3.214 3.214 . 0 0 "[ ]" 1 325 1 15 MET HB3 1 17 CYS H . . 6.000 4.615 4.615 4.615 . 0 0 "[ ]" 1 326 1 15 MET HB3 1 41 LEU MD2 . . 7.000 3.542 3.542 3.542 . 0 0 "[ ]" 1 327 1 15 MET HG2 1 17 CYS HB2 . . 6.000 5.255 5.255 5.255 . 0 0 "[ ]" 1 328 1 15 MET HG2 1 21 ALA H . . 6.000 5.359 5.359 5.359 . 0 0 "[ ]" 1 329 1 15 MET HG2 1 24 ILE MD . . 7.000 5.651 5.651 5.651 . 0 0 "[ ]" 1 330 1 15 MET HG2 1 41 LEU MD1 . . 7.000 3.656 3.656 3.656 . 0 0 "[ ]" 1 331 1 15 MET HG2 1 69 TYR QD . . 8.000 6.356 6.356 6.356 . 0 0 "[ ]" 1 332 1 15 MET HG2 1 69 TYR QE . . 8.000 6.093 6.093 6.093 . 0 0 "[ ]" 1 333 1 15 MET HG3 1 17 CYS HB2 . . 6.000 6.034 6.034 6.034 0.034 1 0 "[ ]" 1 334 1 15 MET HG3 1 21 ALA MB . . 7.000 3.027 3.027 3.027 . 0 0 "[ ]" 1 335 1 15 MET HG3 1 24 ILE MD . . 7.000 5.047 5.047 5.047 . 0 0 "[ ]" 1 336 1 15 MET HG3 1 44 GLU H . . 5.800 5.888 5.888 5.888 0.088 1 0 "[ ]" 1 337 1 16 THR H 1 17 CYS H . . 3.600 3.050 3.050 3.050 . 0 0 "[ ]" 1 338 1 16 THR H 1 20 CYS H . . 6.000 4.771 4.771 4.771 . 0 0 "[ ]" 1 339 1 16 THR H 1 20 CYS HB2 . . 6.000 2.608 2.608 2.608 . 0 0 "[ ]" 1 340 1 16 THR H 1 20 CYS HB3 . . 6.000 2.952 2.952 2.952 . 0 0 "[ ]" 1 341 1 16 THR H 1 69 TYR QE . . 8.000 3.495 3.495 3.495 . 0 0 "[ ]" 1 342 1 16 THR HB 1 17 CYS H . . 5.500 4.469 4.469 4.469 . 0 0 "[ ]" 1 343 1 16 THR MG 1 17 CYS H . . 6.300 4.334 4.334 4.334 . 0 0 "[ ]" 1 344 1 17 CYS H 1 20 CYS H . . 4.600 4.629 4.629 4.629 0.029 1 0 "[ ]" 1 345 1 17 CYS H 1 20 CYS HB2 . . 4.400 3.473 3.473 3.473 . 0 0 "[ ]" 1 346 1 17 CYS H 1 20 CYS HB3 . . 5.000 4.944 4.944 4.944 . 0 0 "[ ]" 1 347 1 17 CYS H 1 41 LEU MD1 . . 7.000 3.147 3.147 3.147 . 0 0 "[ ]" 1 348 1 17 CYS H 1 41 LEU MD2 . . 7.000 4.534 4.534 4.534 . 0 0 "[ ]" 1 349 1 17 CYS H 1 69 TYR QE . . 8.000 6.109 6.109 6.109 . 0 0 "[ ]" 1 350 1 17 CYS HB3 1 20 CYS HB2 . . 6.000 5.887 5.887 5.887 . 0 0 "[ ]" 1 351 1 19 ALA H 1 20 CYS H . . 3.900 2.901 2.901 2.901 . 0 0 "[ ]" 1 352 1 19 ALA HA 1 21 ALA H . . 5.500 4.471 4.471 4.471 . 0 0 "[ ]" 1 353 1 19 ALA HA 1 22 ALA H . . 4.400 3.108 3.108 3.108 . 0 0 "[ ]" 1 354 1 19 ALA HA 1 22 ALA MB . . 3.700 2.280 2.280 2.280 . 0 0 "[ ]" 1 355 1 19 ALA MB 1 22 ALA MB . . 8.000 2.405 2.405 2.405 . 0 0 "[ ]" 1 356 1 19 ALA MB 1 23 ARG QB . . 8.000 4.630 4.630 4.630 . 0 0 "[ ]" 1 357 1 19 ALA MB 1 23 ARG QD . . 8.000 4.752 4.752 4.752 . 0 0 "[ ]" 1 358 1 20 CYS H 1 20 CYS HB2 . . 3.700 2.431 2.431 2.431 . 0 0 "[ ]" 1 359 1 20 CYS H 1 21 ALA H . . 3.400 2.792 2.792 2.792 . 0 0 "[ ]" 1 360 1 20 CYS H 1 21 ALA HA . . 6.000 5.350 5.350 5.350 . 0 0 "[ ]" 1 361 1 20 CYS H 1 22 ALA H . . 5.300 3.674 3.674 3.674 . 0 0 "[ ]" 1 362 1 20 CYS H 1 22 ALA MB . . 5.000 4.213 4.213 4.213 . 0 0 "[ ]" 1 363 1 20 CYS H 1 23 ARG QB . . 7.000 5.215 5.215 5.215 . 0 0 "[ ]" 1 364 1 20 CYS H 1 41 LEU MD1 . . 7.000 3.871 3.871 3.871 . 0 0 "[ ]" 1 365 1 20 CYS H 1 41 LEU MD2 . . 7.000 5.709 5.709 5.709 . 0 0 "[ ]" 1 366 1 20 CYS HA 1 20 CYS HB3 . . 3.000 2.528 2.528 2.528 . 0 0 "[ ]" 1 367 1 20 CYS HA 1 22 ALA H . . 5.700 4.332 4.332 4.332 . 0 0 "[ ]" 1 368 1 20 CYS HA 1 22 ALA MB . . 6.100 4.691 4.691 4.691 . 0 0 "[ ]" 1 369 1 20 CYS HA 1 23 ARG H . . 4.100 3.432 3.432 3.432 . 0 0 "[ ]" 1 370 1 20 CYS HA 1 23 ARG QB . . 5.200 2.895 2.895 2.895 . 0 0 "[ ]" 1 371 1 20 CYS HA 1 23 ARG QG . . 6.880 3.111 3.111 3.111 . 0 0 "[ ]" 1 372 1 20 CYS HA 1 24 ILE H . . 5.500 4.233 4.233 4.233 . 0 0 "[ ]" 1 373 1 20 CYS HA 1 69 TYR QE . . 8.000 4.876 4.876 4.876 . 0 0 "[ ]" 1 374 1 20 CYS HB2 1 21 ALA H . . 3.700 2.295 2.295 2.295 . 0 0 "[ ]" 1 375 1 20 CYS HB2 1 21 ALA HA . . 4.700 4.511 4.511 4.511 . 0 0 "[ ]" 1 376 1 20 CYS HB2 1 22 ALA H . . 6.000 4.658 4.658 4.658 . 0 0 "[ ]" 1 377 1 20 CYS HB2 1 24 ILE MD . . 7.000 4.592 4.592 4.592 . 0 0 "[ ]" 1 378 1 20 CYS HB2 1 69 TYR QD . . 8.000 6.054 6.054 6.054 . 0 0 "[ ]" 1 379 1 20 CYS HB2 1 69 TYR QE . . 8.000 4.329 4.329 4.329 . 0 0 "[ ]" 1 380 1 20 CYS HB3 1 21 ALA H . . 4.300 3.172 3.172 3.172 . 0 0 "[ ]" 1 381 1 20 CYS HB3 1 23 ARG QB . . 7.000 4.619 4.619 4.619 . 0 0 "[ ]" 1 382 1 20 CYS HB3 1 24 ILE MD . . 7.000 3.777 3.777 3.777 . 0 0 "[ ]" 1 383 1 20 CYS HB3 1 69 TYR QD . . 8.000 4.996 4.996 4.996 . 0 0 "[ ]" 1 384 1 20 CYS HB3 1 69 TYR QE . . 8.000 3.111 3.111 3.111 . 0 0 "[ ]" 1 385 1 21 ALA H 1 21 ALA MB . . 3.400 2.202 2.202 2.202 . 0 0 "[ ]" 1 386 1 21 ALA H 1 22 ALA H . . 3.500 2.725 2.725 2.725 . 0 0 "[ ]" 1 387 1 21 ALA H 1 23 ARG H . . 5.300 4.363 4.363 4.363 . 0 0 "[ ]" 1 388 1 21 ALA H 1 23 ARG QG . . 6.880 5.669 5.669 5.669 . 0 0 "[ ]" 1 389 1 21 ALA H 1 24 ILE H . . 6.000 4.682 4.682 4.682 . 0 0 "[ ]" 1 390 1 21 ALA H 1 24 ILE MD . . 7.000 4.011 4.011 4.011 . 0 0 "[ ]" 1 391 1 21 ALA H 1 24 ILE QG . . 6.880 4.353 4.353 4.353 . 0 0 "[ ]" 1 392 1 21 ALA H 1 41 LEU MD1 . . 6.500 3.048 3.048 3.048 . 0 0 "[ ]" 1 393 1 21 ALA H 1 41 LEU MD2 . . 5.900 3.879 3.879 3.879 . 0 0 "[ ]" 1 394 1 21 ALA HA 1 23 ARG H . . 5.700 4.424 4.424 4.424 . 0 0 "[ ]" 1 395 1 21 ALA HA 1 24 ILE H . . 4.500 3.099 3.099 3.099 . 0 0 "[ ]" 1 396 1 21 ALA HA 1 24 ILE HB . . 4.700 2.437 2.437 2.437 . 0 0 "[ ]" 1 397 1 21 ALA HA 1 24 ILE MD . . 7.000 2.089 2.089 2.089 . 0 0 "[ ]" 1 398 1 21 ALA HA 1 24 ILE HG12 . . 6.000 3.971 3.971 3.971 . 0 0 "[ ]" 1 399 1 21 ALA HA 1 24 ILE HG13 . . 6.000 2.568 2.568 2.568 . 0 0 "[ ]" 1 400 1 21 ALA HA 1 25 GLU H . . 5.200 3.835 3.835 3.835 . 0 0 "[ ]" 1 401 1 21 ALA HA 1 39 VAL MG2 . . 7.000 4.048 4.048 4.048 . 0 0 "[ ]" 1 402 1 21 ALA MB 1 39 VAL MG1 . . 8.000 3.709 3.709 3.709 . 0 0 "[ ]" 1 403 1 21 ALA MB 1 39 VAL MG2 . . 8.000 1.937 1.937 1.937 . 0 0 "[ ]" 1 404 1 21 ALA MB 1 41 LEU MD1 . . 8.000 2.398 2.398 2.398 . 0 0 "[ ]" 1 405 1 21 ALA MB 1 41 LEU MD2 . . 8.000 1.987 1.987 1.987 . 0 0 "[ ]" 1 406 1 21 ALA MB 1 46 VAL QG . . 9.560 3.407 3.407 3.407 . 0 0 "[ ]" 1 407 1 22 ALA H 1 23 ARG H . . 3.300 2.804 2.804 2.804 . 0 0 "[ ]" 1 408 1 22 ALA H 1 23 ARG QB . . 7.000 4.702 4.702 4.702 . 0 0 "[ ]" 1 409 1 22 ALA H 1 23 ARG QG . . 6.880 4.729 4.729 4.729 . 0 0 "[ ]" 1 410 1 22 ALA H 1 24 ILE HB . . 5.400 5.047 5.047 5.047 . 0 0 "[ ]" 1 411 1 22 ALA H 1 26 LYS H . . 6.000 5.842 5.842 5.842 . 0 0 "[ ]" 1 412 1 22 ALA H 1 39 VAL MG1 . . 7.000 3.698 3.698 3.698 . 0 0 "[ ]" 1 413 1 22 ALA H 1 41 LEU MD2 . . 7.000 4.757 4.757 4.757 . 0 0 "[ ]" 1 414 1 22 ALA HA 1 24 ILE H . . 6.000 4.599 4.599 4.599 . 0 0 "[ ]" 1 415 1 22 ALA HA 1 25 GLU H . . 4.000 3.637 3.637 3.637 . 0 0 "[ ]" 1 416 1 22 ALA HA 1 25 GLU HB2 . . 3.700 3.744 3.744 3.744 0.044 1 0 "[ ]" 1 417 1 22 ALA HA 1 25 GLU HB3 . . 4.300 3.796 3.796 3.796 . 0 0 "[ ]" 1 418 1 22 ALA HA 1 25 GLU QG . . 7.000 5.269 5.269 5.269 . 0 0 "[ ]" 1 419 1 22 ALA HA 1 26 LYS H . . 4.500 3.793 3.793 3.793 . 0 0 "[ ]" 1 420 1 22 ALA HA 1 39 VAL HB . . 6.000 2.957 2.957 2.957 . 0 0 "[ ]" 1 421 1 22 ALA MB 1 25 GLU H . . 5.800 4.848 4.848 4.848 . 0 0 "[ ]" 1 422 1 22 ALA MB 1 26 LYS HB2 . . 7.000 4.499 4.499 4.499 . 0 0 "[ ]" 1 423 1 23 ARG H 1 23 ARG HG2 . . 4.000 2.499 2.499 2.499 . 0 0 "[ ]" 1 424 1 23 ARG H 1 23 ARG QG . . 3.800 2.424 2.424 2.424 . 0 0 "[ ]" 1 425 1 23 ARG H 1 23 ARG HG3 . . 4.000 3.272 3.272 3.272 . 0 0 "[ ]" 1 426 1 23 ARG H 1 24 ILE H . . 3.700 2.821 2.821 2.821 . 0 0 "[ ]" 1 427 1 23 ARG H 1 24 ILE HA . . 5.900 5.419 5.419 5.419 . 0 0 "[ ]" 1 428 1 23 ARG H 1 26 LYS H . . 5.300 4.720 4.720 4.720 . 0 0 "[ ]" 1 429 1 23 ARG HA 1 23 ARG HG2 . . 4.100 2.562 2.562 2.562 . 0 0 "[ ]" 1 430 1 23 ARG HA 1 23 ARG QG . . 3.810 2.519 2.519 2.519 . 0 0 "[ ]" 1 431 1 23 ARG HA 1 23 ARG HG3 . . 4.100 3.718 3.718 3.718 . 0 0 "[ ]" 1 432 1 23 ARG HA 1 26 LYS H . . 4.700 3.584 3.584 3.584 . 0 0 "[ ]" 1 433 1 23 ARG HA 1 26 LYS HB2 . . 4.300 2.435 2.435 2.435 . 0 0 "[ ]" 1 434 1 23 ARG HA 1 26 LYS HB3 . . 4.100 3.877 3.877 3.877 . 0 0 "[ ]" 1 435 1 23 ARG HA 1 27 GLY H . . 5.000 3.982 3.982 3.982 . 0 0 "[ ]" 1 436 1 23 ARG HA 1 27 GLY HA3 . . 5.800 5.819 5.819 5.819 0.019 1 0 "[ ]" 1 437 1 23 ARG QB 1 27 GLY H . . 7.000 4.748 4.748 4.748 . 0 0 "[ ]" 1 438 1 23 ARG QD 1 24 ILE H . . 7.000 4.996 4.996 4.996 . 0 0 "[ ]" 1 439 1 23 ARG QG 1 24 ILE H . . 5.790 4.139 4.139 4.139 . 0 0 "[ ]" 1 440 1 23 ARG QG 1 69 TYR QE . . 8.880 5.894 5.894 5.894 . 0 0 "[ ]" 1 441 1 23 ARG HG2 1 24 ILE H . . 6.000 4.576 4.576 4.576 . 0 0 "[ ]" 1 442 1 23 ARG HG3 1 24 ILE H . . 6.000 4.724 4.724 4.724 . 0 0 "[ ]" 1 443 1 24 ILE H 1 24 ILE HB . . 3.100 2.654 2.654 2.654 . 0 0 "[ ]" 1 444 1 24 ILE H 1 24 ILE MD . . 4.800 3.626 3.626 3.626 . 0 0 "[ ]" 1 445 1 24 ILE H 1 24 ILE HG12 . . 5.700 3.335 3.335 3.335 . 0 0 "[ ]" 1 446 1 24 ILE H 1 24 ILE HG13 . . 5.700 2.105 2.105 2.105 . 0 0 "[ ]" 1 447 1 24 ILE H 1 25 GLU H . . 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 1 448 1 24 ILE H 1 46 VAL QG . . 8.560 5.808 5.808 5.808 . 0 0 "[ ]" 1 449 1 24 ILE H 1 67 LEU QD . . 7.770 4.268 4.268 4.268 . 0 0 "[ ]" 1 450 1 24 ILE HA 1 24 ILE QG . . 3.710 2.438 2.438 2.438 . 0 0 "[ ]" 1 451 1 24 ILE HA 1 26 LYS H . . 5.100 4.729 4.729 4.729 . 0 0 "[ ]" 1 452 1 24 ILE HA 1 27 GLY H . . 4.100 3.825 3.825 3.825 . 0 0 "[ ]" 1 453 1 24 ILE HA 1 28 LEU H . . 6.000 4.907 4.907 4.907 . 0 0 "[ ]" 1 454 1 24 ILE HA 1 67 LEU HB3 . . 6.000 2.800 2.800 2.800 . 0 0 "[ ]" 1 455 1 24 ILE HA 1 67 LEU MD1 . . 7.000 2.581 2.581 2.581 . 0 0 "[ ]" 1 456 1 24 ILE HA 1 67 LEU MD2 . . 7.000 3.960 3.960 3.960 . 0 0 "[ ]" 1 457 1 24 ILE HA 1 69 TYR QD . . 8.000 4.416 4.416 4.416 . 0 0 "[ ]" 1 458 1 24 ILE HA 1 69 TYR QE . . 8.000 4.539 4.539 4.539 . 0 0 "[ ]" 1 459 1 24 ILE HB 1 25 GLU H . . 3.700 2.229 2.229 2.229 . 0 0 "[ ]" 1 460 1 24 ILE HB 1 64 ILE MD . . 7.000 3.975 3.975 3.975 . 0 0 "[ ]" 1 461 1 24 ILE HB 1 64 ILE MG . . 7.000 4.973 4.973 4.973 . 0 0 "[ ]" 1 462 1 24 ILE HB 1 67 LEU HB2 . . 6.000 5.794 5.794 5.794 . 0 0 "[ ]" 1 463 1 24 ILE HB 1 67 LEU HG . . 6.000 4.921 4.921 4.921 . 0 0 "[ ]" 1 464 1 24 ILE MD 1 25 GLU H . . 7.000 4.204 4.204 4.204 . 0 0 "[ ]" 1 465 1 24 ILE MD 1 64 ILE MD . . 8.000 3.617 3.617 3.617 . 0 0 "[ ]" 1 466 1 24 ILE MD 1 64 ILE MG . . 8.000 3.362 3.362 3.362 . 0 0 "[ ]" 1 467 1 24 ILE MD 1 67 LEU HB3 . . 7.000 4.162 4.162 4.162 . 0 0 "[ ]" 1 468 1 24 ILE MD 1 69 TYR HB2 . . 7.000 2.341 2.341 2.341 . 0 0 "[ ]" 1 469 1 24 ILE MD 1 69 TYR HB3 . . 7.000 2.728 2.728 2.728 . 0 0 "[ ]" 1 470 1 24 ILE MD 1 69 TYR QD . . 9.000 2.700 2.700 2.700 . 0 0 "[ ]" 1 471 1 24 ILE MD 1 69 TYR QE . . 9.000 3.101 3.101 3.101 . 0 0 "[ ]" 1 472 1 24 ILE QG 1 25 GLU H . . 5.400 3.943 3.943 3.943 . 0 0 "[ ]" 1 473 1 24 ILE QG 1 25 GLU HA . . 6.880 5.571 5.571 5.571 . 0 0 "[ ]" 1 474 1 24 ILE QG 1 26 LYS H . . 6.880 5.684 5.684 5.684 . 0 0 "[ ]" 1 475 1 24 ILE QG 1 64 ILE MG . . 7.880 4.132 4.132 4.132 . 0 0 "[ ]" 1 476 1 24 ILE QG 1 67 LEU HB3 . . 6.880 2.700 2.700 2.700 . 0 0 "[ ]" 1 477 1 24 ILE QG 1 69 TYR QD . . 8.880 2.481 2.481 2.481 . 0 0 "[ ]" 1 478 1 24 ILE QG 1 69 TYR QE . . 8.880 2.831 2.831 2.831 . 0 0 "[ ]" 1 479 1 24 ILE HG12 1 25 GLU H . . 5.900 4.836 4.836 4.836 . 0 0 "[ ]" 1 480 1 24 ILE HG13 1 25 GLU H . . 5.900 4.179 4.179 4.179 . 0 0 "[ ]" 1 481 1 24 ILE MG 1 25 GLU H . . 7.000 3.058 3.058 3.058 . 0 0 "[ ]" 1 482 1 24 ILE MG 1 64 ILE MG . . 8.000 2.478 2.478 2.478 . 0 0 "[ ]" 1 483 1 24 ILE MG 1 67 LEU HB3 . . 6.200 2.914 2.914 2.914 . 0 0 "[ ]" 1 484 1 24 ILE MG 1 67 LEU QD . . 9.570 3.369 3.369 3.369 . 0 0 "[ ]" 1 485 1 24 ILE MG 1 69 TYR QD . . 9.000 3.552 3.552 3.552 . 0 0 "[ ]" 1 486 1 24 ILE MG 1 69 TYR QE . . 9.000 4.638 4.638 4.638 . 0 0 "[ ]" 1 487 1 25 GLU H 1 25 GLU HB2 . . 3.200 2.148 2.148 2.148 . 0 0 "[ ]" 1 488 1 25 GLU H 1 25 GLU HB3 . . 3.400 3.041 3.041 3.041 . 0 0 "[ ]" 1 489 1 25 GLU H 1 25 GLU QG . . 4.800 4.036 4.036 4.036 . 0 0 "[ ]" 1 490 1 25 GLU H 1 26 LYS H . . 2.800 2.736 2.736 2.736 . 0 0 "[ ]" 1 491 1 25 GLU H 1 28 LEU HG . . 6.000 5.505 5.505 5.505 . 0 0 "[ ]" 1 492 1 25 GLU H 1 64 ILE MD . . 7.000 4.620 4.620 4.620 . 0 0 "[ ]" 1 493 1 25 GLU HA 1 25 GLU HB2 . . 2.900 2.755 2.755 2.755 . 0 0 "[ ]" 1 494 1 25 GLU HA 1 25 GLU HB3 . . 3.000 2.984 2.984 2.984 . 0 0 "[ ]" 1 495 1 25 GLU HA 1 28 LEU H . . 4.500 2.807 2.807 2.807 . 0 0 "[ ]" 1 496 1 25 GLU HA 1 28 LEU HB2 . . 3.600 2.745 2.745 2.745 . 0 0 "[ ]" 1 497 1 25 GLU HA 1 28 LEU HB3 . . 6.000 4.405 4.405 4.405 . 0 0 "[ ]" 1 498 1 25 GLU HA 1 28 LEU MD1 . . 7.000 2.523 2.523 2.523 . 0 0 "[ ]" 1 499 1 25 GLU HA 1 28 LEU HG . . 5.900 3.132 3.132 3.132 . 0 0 "[ ]" 1 500 1 25 GLU HA 1 29 LYS H . . 5.200 4.269 4.269 4.269 . 0 0 "[ ]" 1 501 1 25 GLU HA 1 64 ILE MD . . 7.000 3.528 3.528 3.528 . 0 0 "[ ]" 1 502 1 25 GLU HA 1 64 ILE MG . . 7.000 5.920 5.920 5.920 . 0 0 "[ ]" 1 503 1 25 GLU HB2 1 26 LYS H . . 3.600 3.642 3.642 3.642 0.042 1 0 "[ ]" 1 504 1 25 GLU HB2 1 39 VAL H . . 6.000 5.666 5.666 5.666 . 0 0 "[ ]" 1 505 1 25 GLU HB2 1 48 VAL MG1 . . 7.000 5.756 5.756 5.756 . 0 0 "[ ]" 1 506 1 25 GLU HB3 1 26 LYS H . . 3.700 2.960 2.960 2.960 . 0 0 "[ ]" 1 507 1 25 GLU HB3 1 28 LEU H . . 4.900 4.929 4.929 4.929 0.029 1 0 "[ ]" 1 508 1 25 GLU HB3 1 46 VAL MG1 . . 7.000 5.084 5.084 5.084 . 0 0 "[ ]" 1 509 1 25 GLU HB3 1 46 VAL MG2 . . 7.000 3.211 3.211 3.211 . 0 0 "[ ]" 1 510 1 25 GLU QG 1 26 LYS H . . 7.000 4.409 4.409 4.409 . 0 0 "[ ]" 1 511 1 25 GLU QG 1 48 VAL HB . . 7.000 2.520 2.520 2.520 . 0 0 "[ ]" 1 512 1 25 GLU QG 1 48 VAL MG2 . . 8.000 2.923 2.923 2.923 . 0 0 "[ ]" 1 513 1 25 GLU QG 1 64 ILE QG . . 7.880 5.983 5.983 5.983 . 0 0 "[ ]" 1 514 1 26 LYS H 1 26 LYS HB2 . . 3.500 2.236 2.236 2.236 . 0 0 "[ ]" 1 515 1 26 LYS H 1 26 LYS HB3 . . 3.400 3.501 3.501 3.501 0.101 1 0 "[ ]" 1 516 1 26 LYS H 1 26 LYS HD2 . . 5.200 4.963 4.963 4.963 . 0 0 "[ ]" 1 517 1 26 LYS H 1 26 LYS HD3 . . 4.700 4.319 4.319 4.319 . 0 0 "[ ]" 1 518 1 26 LYS H 1 26 LYS QE . . 6.880 4.979 4.979 4.979 . 0 0 "[ ]" 1 519 1 26 LYS H 1 27 GLY H . . 3.400 2.688 2.688 2.688 . 0 0 "[ ]" 1 520 1 26 LYS H 1 28 LEU H . . 6.000 4.149 4.149 4.149 . 0 0 "[ ]" 1 521 1 26 LYS H 1 67 LEU QD . . 8.570 5.085 5.085 5.085 . 0 0 "[ ]" 1 522 1 26 LYS HA 1 26 LYS HD2 . . 4.600 3.255 3.255 3.255 . 0 0 "[ ]" 1 523 1 26 LYS HA 1 26 LYS HD3 . . 4.300 2.150 2.150 2.150 . 0 0 "[ ]" 1 524 1 26 LYS HA 1 26 LYS HE2 . . 6.000 4.519 4.519 4.519 . 0 0 "[ ]" 1 525 1 26 LYS HA 1 26 LYS HE3 . . 6.000 4.171 4.171 4.171 . 0 0 "[ ]" 1 526 1 26 LYS HA 1 29 LYS H . . 5.000 2.852 2.852 2.852 . 0 0 "[ ]" 1 527 1 26 LYS HA 1 29 LYS HB2 . . 4.300 3.223 3.223 3.223 . 0 0 "[ ]" 1 528 1 26 LYS HA 1 29 LYS HB3 . . 3.800 2.242 2.242 2.242 . 0 0 "[ ]" 1 529 1 26 LYS HB2 1 26 LYS HD2 . . 4.200 3.627 3.627 3.627 . 0 0 "[ ]" 1 530 1 26 LYS HB2 1 26 LYS HD3 . . 3.900 3.829 3.829 3.829 . 0 0 "[ ]" 1 531 1 26 LYS HB2 1 27 GLY H . . 4.700 2.904 2.904 2.904 . 0 0 "[ ]" 1 532 1 26 LYS HB2 1 37 ALA MB . . 7.000 5.337 5.337 5.337 . 0 0 "[ ]" 1 533 1 26 LYS HB3 1 27 GLY H . . 4.200 3.534 3.534 3.534 . 0 0 "[ ]" 1 534 1 26 LYS HB3 1 37 ALA MB . . 7.000 5.428 5.428 5.428 . 0 0 "[ ]" 1 535 1 26 LYS HD2 1 27 GLY H . . 5.700 5.702 5.702 5.702 0.002 1 0 "[ ]" 1 536 1 26 LYS HD3 1 27 GLY H . . 6.000 5.422 5.422 5.422 . 0 0 "[ ]" 1 537 1 26 LYS HD3 1 30 ARG H . . 6.000 6.028 6.028 6.028 0.028 1 0 "[ ]" 1 538 1 26 LYS HD3 1 37 ALA MB . . 7.000 3.678 3.678 3.678 . 0 0 "[ ]" 1 539 1 26 LYS QE 1 29 LYS QE . . 6.160 3.110 3.110 3.110 . 0 0 "[ ]" 1 540 1 26 LYS HE2 1 29 LYS HE2 . . 7.150 4.962 4.962 4.962 . 0 0 "[ ]" 1 541 1 26 LYS HE2 1 29 LYS HE3 . . 7.150 3.452 3.452 3.452 . 0 0 "[ ]" 1 542 1 26 LYS HE3 1 29 LYS HE2 . . 7.150 5.405 5.405 5.405 . 0 0 "[ ]" 1 543 1 26 LYS HE3 1 29 LYS HE3 . . 7.150 3.674 3.674 3.674 . 0 0 "[ ]" 1 544 1 26 LYS QG 1 27 GLY H . . 7.000 4.397 4.397 4.397 . 0 0 "[ ]" 1 545 1 26 LYS QG 1 39 VAL H . . 7.000 6.249 6.249 6.249 . 0 0 "[ ]" 1 546 1 27 GLY H 1 28 LEU H . . 3.400 2.839 2.839 2.839 . 0 0 "[ ]" 1 547 1 27 GLY H 1 28 LEU MD2 . . 7.000 5.681 5.681 5.681 . 0 0 "[ ]" 1 548 1 27 GLY H 1 29 LYS H . . 5.200 4.075 4.075 4.075 . 0 0 "[ ]" 1 549 1 27 GLY H 1 29 LYS HB3 . . 5.100 5.127 5.127 5.127 0.027 1 0 "[ ]" 1 550 1 27 GLY H 1 30 ARG H . . 6.000 5.140 5.140 5.140 . 0 0 "[ ]" 1 551 1 27 GLY H 1 30 ARG QD . . 7.000 5.515 5.515 5.515 . 0 0 "[ ]" 1 552 1 27 GLY H 1 67 LEU QD . . 6.470 3.281 3.281 3.281 . 0 0 "[ ]" 1 553 1 27 GLY HA2 1 29 LYS H . . 6.000 4.458 4.458 4.458 . 0 0 "[ ]" 1 554 1 27 GLY HA2 1 30 ARG H . . 4.700 3.711 3.711 3.711 . 0 0 "[ ]" 1 555 1 27 GLY HA2 1 30 ARG HB2 . . 3.700 3.242 3.242 3.242 . 0 0 "[ ]" 1 556 1 27 GLY HA2 1 30 ARG HB3 . . 5.200 4.784 4.784 4.784 . 0 0 "[ ]" 1 557 1 27 GLY HA2 1 67 LEU MD1 . . 7.000 3.429 3.429 3.429 . 0 0 "[ ]" 1 558 1 27 GLY HA2 1 67 LEU MD2 . . 7.000 3.729 3.729 3.729 . 0 0 "[ ]" 1 559 1 27 GLY HA3 1 30 ARG H . . 5.700 4.660 4.660 4.660 . 0 0 "[ ]" 1 560 1 27 GLY HA3 1 30 ARG HB2 . . 5.300 4.648 4.648 4.648 . 0 0 "[ ]" 1 561 1 27 GLY HA3 1 30 ARG HB3 . . 6.000 6.025 6.025 6.025 0.025 1 0 "[ ]" 1 562 1 27 GLY HA3 1 67 LEU HB3 . . 6.000 5.384 5.384 5.384 . 0 0 "[ ]" 1 563 1 27 GLY HA3 1 67 LEU QD . . 8.570 2.185 2.185 2.185 . 0 0 "[ ]" 1 564 1 28 LEU H 1 28 LEU HB2 . . 2.800 2.461 2.461 2.461 . 0 0 "[ ]" 1 565 1 28 LEU H 1 28 LEU HB3 . . 3.700 3.621 3.621 3.621 . 0 0 "[ ]" 1 566 1 28 LEU H 1 28 LEU MD1 . . 4.200 3.516 3.516 3.516 . 0 0 "[ ]" 1 567 1 28 LEU H 1 28 LEU MD2 . . 4.300 3.528 3.528 3.528 . 0 0 "[ ]" 1 568 1 28 LEU H 1 28 LEU HG . . 4.600 2.385 2.385 2.385 . 0 0 "[ ]" 1 569 1 28 LEU H 1 29 LYS H . . 3.400 2.700 2.700 2.700 . 0 0 "[ ]" 1 570 1 28 LEU H 1 30 ARG H . . 4.900 4.107 4.107 4.107 . 0 0 "[ ]" 1 571 1 28 LEU H 1 63 LYS QG . . 6.880 5.714 5.714 5.714 . 0 0 "[ ]" 1 572 1 28 LEU HA 1 28 LEU HB2 . . 3.000 3.020 3.020 3.020 0.020 1 0 "[ ]" 1 573 1 28 LEU HA 1 28 LEU HB3 . . 3.000 2.475 2.475 2.475 . 0 0 "[ ]" 1 574 1 28 LEU HA 1 28 LEU MD2 . . 4.200 2.099 2.099 2.099 . 0 0 "[ ]" 1 575 1 28 LEU HA 1 30 ARG H . . 5.100 3.477 3.477 3.477 . 0 0 "[ ]" 1 576 1 28 LEU HA 1 31 MET H . . 4.000 3.146 3.146 3.146 . 0 0 "[ ]" 1 577 1 28 LEU HA 1 31 MET HB2 . . 5.000 3.465 3.465 3.465 . 0 0 "[ ]" 1 578 1 28 LEU HA 1 31 MET ME . . 7.000 4.957 4.957 4.957 . 0 0 "[ ]" 1 579 1 28 LEU HA 1 34 VAL MG1 . . 7.000 4.631 4.631 4.631 . 0 0 "[ ]" 1 580 1 28 LEU HB2 1 29 LYS H . . 3.900 2.972 2.972 2.972 . 0 0 "[ ]" 1 581 1 28 LEU HB2 1 29 LYS QE . . 6.880 6.155 6.155 6.155 . 0 0 "[ ]" 1 582 1 28 LEU HB2 1 34 VAL MG2 . . 7.000 3.826 3.826 3.826 . 0 0 "[ ]" 1 583 1 28 LEU HB3 1 28 LEU HG . . 3.000 3.034 3.034 3.034 0.034 1 0 "[ ]" 1 584 1 28 LEU HB3 1 29 LYS H . . 4.500 3.842 3.842 3.842 . 0 0 "[ ]" 1 585 1 28 LEU HB3 1 30 ARG H . . 6.000 5.082 5.082 5.082 . 0 0 "[ ]" 1 586 1 28 LEU HB3 1 31 MET H . . 6.000 4.438 4.438 4.438 . 0 0 "[ ]" 1 587 1 28 LEU HB3 1 34 VAL MG1 . . 7.000 4.627 4.627 4.627 . 0 0 "[ ]" 1 588 1 28 LEU HB3 1 34 VAL MG2 . . 7.000 3.272 3.272 3.272 . 0 0 "[ ]" 1 589 1 28 LEU HB3 1 60 ILE MD . . 7.000 3.408 3.408 3.408 . 0 0 "[ ]" 1 590 1 28 LEU MD1 1 29 LYS H . . 7.000 4.735 4.735 4.735 . 0 0 "[ ]" 1 591 1 28 LEU MD1 1 48 VAL MG2 . . 8.000 3.041 3.041 3.041 . 0 0 "[ ]" 1 592 1 28 LEU MD1 1 63 LYS QB . . 7.880 4.136 4.136 4.136 . 0 0 "[ ]" 1 593 1 28 LEU MD1 1 63 LYS QG . . 7.880 5.562 5.562 5.562 . 0 0 "[ ]" 1 594 1 28 LEU MD1 1 64 ILE HA . . 7.000 4.229 4.229 4.229 . 0 0 "[ ]" 1 595 1 28 LEU MD1 1 64 ILE HB . . 7.000 4.557 4.557 4.557 . 0 0 "[ ]" 1 596 1 28 LEU MD2 1 29 LYS H . . 7.000 4.828 4.828 4.828 . 0 0 "[ ]" 1 597 1 28 LEU MD2 1 59 ALA H . . 7.000 5.904 5.904 5.904 . 0 0 "[ ]" 1 598 1 28 LEU MD2 1 63 LYS H . . 7.000 3.611 3.611 3.611 . 0 0 "[ ]" 1 599 1 28 LEU MD2 1 63 LYS HB2 . . 7.000 2.526 2.526 2.526 . 0 0 "[ ]" 1 600 1 28 LEU MD2 1 63 LYS HB3 . . 7.000 2.243 2.243 2.243 . 0 0 "[ ]" 1 601 1 28 LEU HG 1 29 LYS H . . 6.000 4.600 4.600 4.600 . 0 0 "[ ]" 1 602 1 28 LEU HG 1 30 ARG H . . 6.000 5.769 5.769 5.769 . 0 0 "[ ]" 1 603 1 28 LEU HG 1 31 MET H . . 6.000 6.041 6.041 6.041 0.041 1 0 "[ ]" 1 604 1 28 LEU HG 1 64 ILE HB . . 6.000 6.027 6.027 6.027 0.027 1 0 "[ ]" 1 605 1 29 LYS H 1 29 LYS HB2 . . 3.800 2.773 2.773 2.773 . 0 0 "[ ]" 1 606 1 29 LYS H 1 29 LYS HB3 . . 3.700 2.477 2.477 2.477 . 0 0 "[ ]" 1 607 1 29 LYS H 1 29 LYS HE2 . . 6.000 5.123 5.123 5.123 . 0 0 "[ ]" 1 608 1 29 LYS H 1 29 LYS QE . . 5.640 4.442 4.442 4.442 . 0 0 "[ ]" 1 609 1 29 LYS H 1 29 LYS HE3 . . 6.000 4.871 4.871 4.871 . 0 0 "[ ]" 1 610 1 29 LYS H 1 30 ARG H . . 3.500 2.840 2.840 2.840 . 0 0 "[ ]" 1 611 1 29 LYS H 1 31 MET H . . 4.300 4.314 4.314 4.314 0.014 1 0 "[ ]" 1 612 1 29 LYS H 1 34 VAL MG2 . . 6.100 3.795 3.795 3.795 . 0 0 "[ ]" 1 613 1 29 LYS HA 1 29 LYS QD . . 5.100 4.269 4.269 4.269 . 0 0 "[ ]" 1 614 1 29 LYS HA 1 29 LYS QE . . 5.880 3.567 3.567 3.567 . 0 0 "[ ]" 1 615 1 29 LYS HA 1 31 MET H . . 4.400 3.661 3.661 3.661 . 0 0 "[ ]" 1 616 1 29 LYS HA 1 34 VAL HB . . 6.000 3.731 3.731 3.731 . 0 0 "[ ]" 1 617 1 29 LYS HA 1 34 VAL MG1 . . 7.000 2.092 2.092 2.092 . 0 0 "[ ]" 1 618 1 29 LYS HA 1 37 ALA H . . 6.000 5.643 5.643 5.643 . 0 0 "[ ]" 1 619 1 29 LYS HB2 1 29 LYS HE2 . . 5.000 2.354 2.354 2.354 . 0 0 "[ ]" 1 620 1 29 LYS HB2 1 29 LYS QE . . 4.680 2.113 2.113 2.113 . 0 0 "[ ]" 1 621 1 29 LYS HB2 1 29 LYS HE3 . . 5.000 2.391 2.391 2.391 . 0 0 "[ ]" 1 622 1 29 LYS HB2 1 30 ARG H . . 4.500 4.503 4.503 4.503 0.003 1 0 "[ ]" 1 623 1 29 LYS HB2 1 37 ALA H . . 6.000 4.060 4.060 4.060 . 0 0 "[ ]" 1 624 1 29 LYS HB2 1 37 ALA MB . . 7.000 2.528 2.528 2.528 . 0 0 "[ ]" 1 625 1 29 LYS HB3 1 29 LYS QD . . 3.900 2.735 2.735 2.735 . 0 0 "[ ]" 1 626 1 29 LYS HB3 1 29 LYS HE2 . . 4.600 3.599 3.599 3.599 . 0 0 "[ ]" 1 627 1 29 LYS HB3 1 29 LYS QE . . 3.990 2.925 2.925 2.925 . 0 0 "[ ]" 1 628 1 29 LYS HB3 1 29 LYS HE3 . . 4.600 3.096 3.096 3.096 . 0 0 "[ ]" 1 629 1 29 LYS HB3 1 30 ARG H . . 3.800 3.622 3.622 3.622 . 0 0 "[ ]" 1 630 1 29 LYS HB3 1 37 ALA H . . 5.400 5.501 5.501 5.501 0.101 1 0 "[ ]" 1 631 1 29 LYS HB3 1 37 ALA MB . . 7.000 3.524 3.524 3.524 . 0 0 "[ ]" 1 632 1 29 LYS QE 1 36 ASP HA . . 6.880 2.039 2.039 2.039 . 0 0 "[ ]" 1 633 1 29 LYS QE 1 37 ALA H . . 5.680 2.540 2.540 2.540 . 0 0 "[ ]" 1 634 1 30 ARG H 1 30 ARG HB2 . . 3.700 2.210 2.210 2.210 . 0 0 "[ ]" 1 635 1 30 ARG H 1 30 ARG HB3 . . 3.700 3.357 3.357 3.357 . 0 0 "[ ]" 1 636 1 30 ARG H 1 30 ARG QG . . 5.000 3.937 3.937 3.937 . 0 0 "[ ]" 1 637 1 30 ARG H 1 31 MET H . . 3.300 2.655 2.655 2.655 . 0 0 "[ ]" 1 638 1 30 ARG H 1 31 MET HA . . 6.000 5.017 5.017 5.017 . 0 0 "[ ]" 1 639 1 30 ARG H 1 31 MET QG . . 6.880 3.843 3.843 3.843 . 0 0 "[ ]" 1 640 1 30 ARG H 1 34 VAL MG1 . . 7.000 3.790 3.790 3.790 . 0 0 "[ ]" 1 641 1 30 ARG H 1 34 VAL MG2 . . 7.000 4.778 4.778 4.778 . 0 0 "[ ]" 1 642 1 30 ARG HA 1 30 ARG HB3 . . 3.000 2.808 2.808 2.808 . 0 0 "[ ]" 1 643 1 30 ARG HB2 1 31 MET H . . 4.300 3.877 3.877 3.877 . 0 0 "[ ]" 1 644 1 30 ARG HB3 1 31 MET H . . 4.500 3.834 3.834 3.834 . 0 0 "[ ]" 1 645 1 30 ARG QD 1 31 MET H . . 7.000 4.775 4.775 4.775 . 0 0 "[ ]" 1 646 1 30 ARG QG 1 31 MET H . . 7.000 4.933 4.933 4.933 . 0 0 "[ ]" 1 647 1 31 MET H 1 31 MET HB2 . . 3.700 2.407 2.407 2.407 . 0 0 "[ ]" 1 648 1 31 MET H 1 31 MET HB3 . . 4.000 3.607 3.607 3.607 . 0 0 "[ ]" 1 649 1 31 MET H 1 31 MET HG2 . . 4.600 2.439 2.439 2.439 . 0 0 "[ ]" 1 650 1 31 MET H 1 31 MET QG . . 4.270 2.410 2.410 2.410 . 0 0 "[ ]" 1 651 1 31 MET H 1 31 MET HG3 . . 4.600 3.770 3.770 3.770 . 0 0 "[ ]" 1 652 1 31 MET H 1 32 PRO HD2 . . 6.000 4.932 4.932 4.932 . 0 0 "[ ]" 1 653 1 31 MET H 1 32 PRO HD3 . . 6.000 5.055 5.055 5.055 . 0 0 "[ ]" 1 654 1 31 MET H 1 34 VAL H . . 4.900 4.690 4.690 4.690 . 0 0 "[ ]" 1 655 1 31 MET H 1 34 VAL HB . . 4.400 3.669 3.669 3.669 . 0 0 "[ ]" 1 656 1 31 MET H 1 34 VAL MG1 . . 6.200 2.534 2.534 2.534 . 0 0 "[ ]" 1 657 1 31 MET H 1 34 VAL MG2 . . 7.000 4.033 4.033 4.033 . 0 0 "[ ]" 1 658 1 31 MET HA 1 34 VAL H . . 6.000 5.102 5.102 5.102 . 0 0 "[ ]" 1 659 1 31 MET HB2 1 34 VAL H . . 4.800 3.818 3.818 3.818 . 0 0 "[ ]" 1 660 1 31 MET HB3 1 34 VAL H . . 4.700 4.293 4.293 4.293 . 0 0 "[ ]" 1 661 1 31 MET ME 1 60 ILE HA . . 7.000 4.243 4.243 4.243 . 0 0 "[ ]" 1 662 1 31 MET QG 1 34 VAL H . . 6.880 5.482 5.482 5.482 . 0 0 "[ ]" 1 663 1 31 MET QG 1 34 VAL MG2 . . 7.880 4.791 4.791 4.791 . 0 0 "[ ]" 1 664 1 31 MET QG 1 55 THR MG . . 7.880 4.136 4.136 4.136 . 0 0 "[ ]" 1 665 1 31 MET QG 1 63 LYS QD . . 7.880 3.696 3.696 3.696 . 0 0 "[ ]" 1 666 1 31 MET QG 1 63 LYS QG . . 7.750 3.052 3.052 3.052 . 0 0 "[ ]" 1 667 1 31 MET HG2 1 32 PRO HD3 . . 6.000 5.299 5.299 5.299 . 0 0 "[ ]" 1 668 1 31 MET HG2 1 60 ILE MD . . 7.000 5.748 5.748 5.748 . 0 0 "[ ]" 1 669 1 31 MET HG3 1 32 PRO HD3 . . 6.000 5.759 5.759 5.759 . 0 0 "[ ]" 1 670 1 31 MET HG3 1 60 ILE MD . . 7.000 4.846 4.846 4.846 . 0 0 "[ ]" 1 671 1 32 PRO HA 1 33 GLY H . . 3.200 2.245 2.245 2.245 . 0 0 "[ ]" 1 672 1 32 PRO HB2 1 33 GLY H . . 4.200 4.140 4.140 4.140 . 0 0 "[ ]" 1 673 1 32 PRO HD2 1 63 LYS QD . . 7.000 5.428 5.428 5.428 . 0 0 "[ ]" 1 674 1 32 PRO HD2 1 63 LYS QG . . 6.880 6.055 6.055 6.055 . 0 0 "[ ]" 1 675 1 33 GLY H 1 34 VAL H . . 3.500 1.994 1.994 1.994 . 0 0 "[ ]" 1 676 1 33 GLY H 1 34 VAL MG1 . . 7.000 3.031 3.031 3.031 . 0 0 "[ ]" 1 677 1 33 GLY H 1 50 TYR HB3 . . 6.000 6.111 6.111 6.111 0.111 1 0 "[ ]" 1 678 1 33 GLY H 1 51 ASP H . . 5.500 5.398 5.398 5.398 . 0 0 "[ ]" 1 679 1 33 GLY H 1 51 ASP HB3 . . 6.000 5.731 5.731 5.731 . 0 0 "[ ]" 1 680 1 33 GLY H 1 55 THR MG . . 7.000 4.659 4.659 4.659 . 0 0 "[ ]" 1 681 1 33 GLY HA2 1 51 ASP H . . 4.400 3.836 3.836 3.836 . 0 0 "[ ]" 1 682 1 33 GLY HA2 1 51 ASP HB3 . . 6.000 3.384 3.384 3.384 . 0 0 "[ ]" 1 683 1 33 GLY HA2 1 54 GLU H . . 5.400 5.091 5.091 5.091 . 0 0 "[ ]" 1 684 1 33 GLY HA2 1 54 GLU HB2 . . 6.000 3.281 3.281 3.281 . 0 0 "[ ]" 1 685 1 33 GLY HA2 1 54 GLU HB3 . . 6.000 4.207 4.207 4.207 . 0 0 "[ ]" 1 686 1 33 GLY HA2 1 55 THR H . . 4.800 4.759 4.759 4.759 . 0 0 "[ ]" 1 687 1 33 GLY HA2 1 55 THR MG . . 7.000 4.875 4.875 4.875 . 0 0 "[ ]" 1 688 1 33 GLY HA3 1 51 ASP H . . 4.200 3.446 3.446 3.446 . 0 0 "[ ]" 1 689 1 33 GLY HA3 1 51 ASP HB2 . . 6.000 4.604 4.604 4.604 . 0 0 "[ ]" 1 690 1 33 GLY HA3 1 51 ASP HB3 . . 6.000 3.317 3.317 3.317 . 0 0 "[ ]" 1 691 1 33 GLY HA3 1 54 GLU H . . 5.000 4.079 4.079 4.079 . 0 0 "[ ]" 1 692 1 33 GLY HA3 1 54 GLU HB3 . . 6.000 3.123 3.123 3.123 . 0 0 "[ ]" 1 693 1 33 GLY HA3 1 54 GLU QG . . 7.000 4.004 4.004 4.004 . 0 0 "[ ]" 1 694 1 33 GLY HA3 1 55 THR H . . 4.100 3.235 3.235 3.235 . 0 0 "[ ]" 1 695 1 33 GLY HA3 1 55 THR MG . . 7.000 3.793 3.793 3.793 . 0 0 "[ ]" 1 696 1 34 VAL H 1 34 VAL HB . . 2.900 2.342 2.342 2.342 . 0 0 "[ ]" 1 697 1 34 VAL H 1 34 VAL MG1 . . 3.900 2.270 2.270 2.270 . 0 0 "[ ]" 1 698 1 34 VAL H 1 35 THR H . . 5.100 4.645 4.645 4.645 . 0 0 "[ ]" 1 699 1 34 VAL H 1 48 VAL MG2 . . 7.000 5.739 5.739 5.739 . 0 0 "[ ]" 1 700 1 34 VAL H 1 50 TYR HA . . 5.500 4.702 4.702 4.702 . 0 0 "[ ]" 1 701 1 34 VAL H 1 51 ASP H . . 6.000 4.696 4.696 4.696 . 0 0 "[ ]" 1 702 1 34 VAL H 1 54 GLU HB2 . . 6.000 5.476 5.476 5.476 . 0 0 "[ ]" 1 703 1 34 VAL HA 1 35 THR H . . 3.200 2.294 2.294 2.294 . 0 0 "[ ]" 1 704 1 34 VAL HA 1 36 ASP H . . 4.300 4.330 4.330 4.330 0.030 1 0 "[ ]" 1 705 1 34 VAL HA 1 50 TYR H . . 5.900 4.717 4.717 4.717 . 0 0 "[ ]" 1 706 1 34 VAL HA 1 50 TYR HA . . 2.600 2.279 2.279 2.279 . 0 0 "[ ]" 1 707 1 34 VAL HA 1 50 TYR HB2 . . 6.000 3.013 3.013 3.013 . 0 0 "[ ]" 1 708 1 34 VAL HA 1 50 TYR HB3 . . 6.000 2.145 2.145 2.145 . 0 0 "[ ]" 1 709 1 34 VAL HA 1 51 ASP H . . 4.000 3.637 3.637 3.637 . 0 0 "[ ]" 1 710 1 34 VAL HB 1 35 THR H . . 5.400 4.127 4.127 4.127 . 0 0 "[ ]" 1 711 1 34 VAL MG1 1 35 THR H . . 6.100 3.447 3.447 3.447 . 0 0 "[ ]" 1 712 1 34 VAL MG1 1 50 TYR HA . . 7.000 4.963 4.963 4.963 . 0 0 "[ ]" 1 713 1 34 VAL MG1 1 51 ASP H . . 7.000 5.767 5.767 5.767 . 0 0 "[ ]" 1 714 1 34 VAL MG1 1 55 THR HB . . 7.000 5.744 5.744 5.744 . 0 0 "[ ]" 1 715 1 34 VAL MG1 1 60 ILE MD . . 8.000 5.325 5.325 5.325 . 0 0 "[ ]" 1 716 1 34 VAL MG2 1 35 THR H . . 4.900 2.266 2.266 2.266 . 0 0 "[ ]" 1 717 1 34 VAL MG2 1 36 ASP H . . 4.100 2.911 2.911 2.911 . 0 0 "[ ]" 1 718 1 34 VAL MG2 1 37 ALA H . . 6.300 4.649 4.649 4.649 . 0 0 "[ ]" 1 719 1 34 VAL MG2 1 51 ASP H . . 7.000 5.235 5.235 5.235 . 0 0 "[ ]" 1 720 1 34 VAL MG2 1 60 ILE MD . . 8.000 3.631 3.631 3.631 . 0 0 "[ ]" 1 721 1 35 THR H 1 35 THR HB . . 3.700 3.354 3.354 3.354 . 0 0 "[ ]" 1 722 1 35 THR H 1 35 THR MG . . 4.600 3.799 3.799 3.799 . 0 0 "[ ]" 1 723 1 35 THR H 1 36 ASP H . . 3.100 2.165 2.165 2.165 . 0 0 "[ ]" 1 724 1 35 THR H 1 36 ASP HA . . 5.700 4.360 4.360 4.360 . 0 0 "[ ]" 1 725 1 35 THR H 1 49 ILE H . . 4.800 4.034 4.034 4.034 . 0 0 "[ ]" 1 726 1 35 THR H 1 49 ILE HB . . 6.000 3.636 3.636 3.636 . 0 0 "[ ]" 1 727 1 35 THR H 1 49 ILE QG . . 7.000 5.496 5.496 5.496 . 0 0 "[ ]" 1 728 1 35 THR H 1 50 TYR H . . 4.700 4.705 4.705 4.705 0.005 1 0 "[ ]" 1 729 1 35 THR H 1 50 TYR HA . . 3.200 2.878 2.878 2.878 . 0 0 "[ ]" 1 730 1 35 THR H 1 50 TYR HB2 . . 6.000 4.813 4.813 4.813 . 0 0 "[ ]" 1 731 1 35 THR H 1 50 TYR HB3 . . 6.000 3.722 3.722 3.722 . 0 0 "[ ]" 1 732 1 35 THR H 1 51 ASP H . . 5.000 4.994 4.994 4.994 . 0 0 "[ ]" 1 733 1 35 THR HB 1 36 ASP H . . 3.800 2.700 2.700 2.700 . 0 0 "[ ]" 1 734 1 35 THR HB 1 49 ILE HB . . 6.000 3.265 3.265 3.265 . 0 0 "[ ]" 1 735 1 35 THR HB 1 49 ILE MG . . 7.000 3.207 3.207 3.207 . 0 0 "[ ]" 1 736 1 35 THR HB 1 50 TYR HA . . 6.000 5.094 5.094 5.094 . 0 0 "[ ]" 1 737 1 35 THR MG 1 36 ASP H . . 5.700 4.097 4.097 4.097 . 0 0 "[ ]" 1 738 1 35 THR MG 1 49 ILE QG . . 8.000 5.936 5.936 5.936 . 0 0 "[ ]" 1 739 1 35 THR MG 1 49 ILE MG . . 8.000 3.687 3.687 3.687 . 0 0 "[ ]" 1 740 1 35 THR MG 1 50 TYR HA . . 7.000 4.668 4.668 4.668 . 0 0 "[ ]" 1 741 1 35 THR MG 1 51 ASP H . . 7.000 5.571 5.571 5.571 . 0 0 "[ ]" 1 742 1 36 ASP H 1 36 ASP HB2 . . 4.100 3.158 3.158 3.158 . 0 0 "[ ]" 1 743 1 36 ASP H 1 36 ASP QB . . 3.900 2.916 2.916 2.916 . 0 0 "[ ]" 1 744 1 36 ASP H 1 36 ASP HB3 . . 4.100 3.425 3.425 3.425 . 0 0 "[ ]" 1 745 1 36 ASP H 1 37 ALA H . . 4.600 4.445 4.445 4.445 . 0 0 "[ ]" 1 746 1 36 ASP H 1 37 ALA HA . . 5.900 4.986 4.986 4.986 . 0 0 "[ ]" 1 747 1 36 ASP H 1 49 ILE H . . 3.200 2.964 2.964 2.964 . 0 0 "[ ]" 1 748 1 36 ASP H 1 49 ILE HB . . 4.700 2.309 2.309 2.309 . 0 0 "[ ]" 1 749 1 36 ASP H 1 49 ILE MG . . 5.400 3.591 3.591 3.591 . 0 0 "[ ]" 1 750 1 36 ASP H 1 50 TYR HA . . 4.600 4.564 4.564 4.564 . 0 0 "[ ]" 1 751 1 36 ASP HA 1 37 ALA H . . 2.900 2.350 2.350 2.350 . 0 0 "[ ]" 1 752 1 36 ASP QB 1 37 ALA H . . 4.210 2.968 2.968 2.968 . 0 0 "[ ]" 1 753 1 36 ASP QB 1 49 ILE MG . . 7.880 4.290 4.290 4.290 . 0 0 "[ ]" 1 754 1 36 ASP HB2 1 37 ALA H . . 4.400 3.932 3.932 3.932 . 0 0 "[ ]" 1 755 1 36 ASP HB2 1 49 ILE H . . 6.000 5.184 5.184 5.184 . 0 0 "[ ]" 1 756 1 36 ASP HB2 1 49 ILE HB . . 6.000 3.983 3.983 3.983 . 0 0 "[ ]" 1 757 1 36 ASP HB2 1 49 ILE QG . . 7.000 5.206 5.206 5.206 . 0 0 "[ ]" 1 758 1 36 ASP HB3 1 37 ALA H . . 4.400 3.071 3.071 3.071 . 0 0 "[ ]" 1 759 1 36 ASP HB3 1 49 ILE H . . 6.000 4.332 4.332 4.332 . 0 0 "[ ]" 1 760 1 36 ASP HB3 1 49 ILE HB . . 6.000 3.698 3.698 3.698 . 0 0 "[ ]" 1 761 1 36 ASP HB3 1 49 ILE QG . . 7.000 4.253 4.253 4.253 . 0 0 "[ ]" 1 762 1 37 ALA H 1 38 ASN H . . 4.900 4.303 4.303 4.303 . 0 0 "[ ]" 1 763 1 37 ALA H 1 38 ASN HA . . 5.900 4.832 4.832 4.832 . 0 0 "[ ]" 1 764 1 37 ALA H 1 38 ASN HD22 . . 6.000 4.292 4.292 4.292 . 0 0 "[ ]" 1 765 1 37 ALA H 1 49 ILE HB . . 6.000 5.632 5.632 5.632 . 0 0 "[ ]" 1 766 1 37 ALA HA 1 38 ASN H . . 2.800 2.225 2.225 2.225 . 0 0 "[ ]" 1 767 1 37 ALA HA 1 38 ASN QB . . 6.100 4.026 4.026 4.026 . 0 0 "[ ]" 1 768 1 37 ALA HA 1 47 ASN H . . 5.500 5.027 5.027 5.027 . 0 0 "[ ]" 1 769 1 37 ALA HA 1 48 VAL HA . . 2.800 2.295 2.295 2.295 . 0 0 "[ ]" 1 770 1 37 ALA HA 1 48 VAL MG1 . . 7.000 4.455 4.455 4.455 . 0 0 "[ ]" 1 771 1 37 ALA HA 1 48 VAL MG2 . . 7.000 2.631 2.631 2.631 . 0 0 "[ ]" 1 772 1 37 ALA HA 1 49 ILE H . . 3.900 3.554 3.554 3.554 . 0 0 "[ ]" 1 773 1 37 ALA HA 1 49 ILE QG . . 7.000 4.939 4.939 4.939 . 0 0 "[ ]" 1 774 1 37 ALA MB 1 38 ASN H . . 4.000 3.102 3.102 3.102 . 0 0 "[ ]" 1 775 1 37 ALA MB 1 47 ASN H . . 7.000 5.268 5.268 5.268 . 0 0 "[ ]" 1 776 1 37 ALA MB 1 48 VAL HA . . 7.000 3.723 3.723 3.723 . 0 0 "[ ]" 1 777 1 37 ALA MB 1 48 VAL HB . . 7.000 3.270 3.270 3.270 . 0 0 "[ ]" 1 778 1 37 ALA MB 1 48 VAL MG1 . . 8.000 4.317 4.317 4.317 . 0 0 "[ ]" 1 779 1 38 ASN H 1 38 ASN HD21 . . 5.400 3.516 3.516 3.516 . 0 0 "[ ]" 1 780 1 38 ASN H 1 38 ASN HD22 . . 6.000 5.080 5.080 5.080 . 0 0 "[ ]" 1 781 1 38 ASN H 1 39 VAL H . . 4.900 4.034 4.034 4.034 . 0 0 "[ ]" 1 782 1 38 ASN H 1 39 VAL HB . . 6.000 5.177 5.177 5.177 . 0 0 "[ ]" 1 783 1 38 ASN H 1 46 VAL HB . . 6.000 6.027 6.027 6.027 0.027 1 0 "[ ]" 1 784 1 38 ASN H 1 46 VAL QG . . 6.360 3.158 3.158 3.158 . 0 0 "[ ]" 1 785 1 38 ASN H 1 47 ASN H . . 3.200 3.214 3.214 3.214 0.014 1 0 "[ ]" 1 786 1 38 ASN H 1 47 ASN HA . . 5.400 4.894 4.894 4.894 . 0 0 "[ ]" 1 787 1 38 ASN H 1 48 VAL H . . 5.700 4.889 4.889 4.889 . 0 0 "[ ]" 1 788 1 38 ASN H 1 48 VAL HA . . 3.600 3.312 3.312 3.312 . 0 0 "[ ]" 1 789 1 38 ASN H 1 49 ILE H . . 5.100 5.101 5.101 5.101 0.001 1 0 "[ ]" 1 790 1 38 ASN HA 1 39 VAL H . . 2.800 2.152 2.152 2.152 . 0 0 "[ ]" 1 791 1 38 ASN HA 1 47 ASN H . . 6.000 4.906 4.906 4.906 . 0 0 "[ ]" 1 792 1 38 ASN QB 1 47 ASN QB . . 8.000 2.626 2.626 2.626 . 0 0 "[ ]" 1 793 1 38 ASN HD21 1 49 ILE MD . . 7.000 4.120 4.120 4.120 . 0 0 "[ ]" 1 794 1 39 VAL H 1 39 VAL HB . . 3.100 2.507 2.507 2.507 . 0 0 "[ ]" 1 795 1 39 VAL H 1 39 VAL MG1 . . 3.900 2.139 2.139 2.139 . 0 0 "[ ]" 1 796 1 39 VAL H 1 39 VAL MG2 . . 4.700 3.765 3.765 3.765 . 0 0 "[ ]" 1 797 1 39 VAL H 1 40 ASN H . . 5.600 4.620 4.620 4.620 . 0 0 "[ ]" 1 798 1 39 VAL H 1 46 VAL HB . . 6.000 5.795 5.795 5.795 . 0 0 "[ ]" 1 799 1 39 VAL H 1 47 ASN H . . 6.000 4.797 4.797 4.797 . 0 0 "[ ]" 1 800 1 39 VAL HA 1 40 ASN H . . 2.900 2.212 2.212 2.212 . 0 0 "[ ]" 1 801 1 39 VAL HA 1 41 LEU H . . 6.000 4.758 4.758 4.758 . 0 0 "[ ]" 1 802 1 39 VAL HA 1 46 VAL H . . 6.000 5.180 5.180 5.180 . 0 0 "[ ]" 1 803 1 39 VAL HA 1 46 VAL HA . . 3.100 2.391 2.391 2.391 . 0 0 "[ ]" 1 804 1 39 VAL HA 1 46 VAL HB . . 6.000 3.077 3.077 3.077 . 0 0 "[ ]" 1 805 1 39 VAL HA 1 46 VAL MG1 . . 7.000 4.421 4.421 4.421 . 0 0 "[ ]" 1 806 1 39 VAL HA 1 46 VAL MG2 . . 7.000 2.117 2.117 2.117 . 0 0 "[ ]" 1 807 1 39 VAL HA 1 47 ASN H . . 3.700 3.238 3.238 3.238 . 0 0 "[ ]" 1 808 1 39 VAL HB 1 40 ASN H . . 5.100 4.236 4.236 4.236 . 0 0 "[ ]" 1 809 1 39 VAL HB 1 46 VAL QG . . 8.560 3.123 3.123 3.123 . 0 0 "[ ]" 1 810 1 39 VAL HB 1 47 ASN H . . 6.000 5.291 5.291 5.291 . 0 0 "[ ]" 1 811 1 39 VAL MG1 1 40 ASN H . . 6.100 3.766 3.766 3.766 . 0 0 "[ ]" 1 812 1 39 VAL MG1 1 41 LEU MD1 . . 8.000 3.639 3.639 3.639 . 0 0 "[ ]" 1 813 1 39 VAL MG1 1 41 LEU MD2 . . 8.000 4.049 4.049 4.049 . 0 0 "[ ]" 1 814 1 39 VAL MG1 1 46 VAL HB . . 7.000 5.204 5.204 5.204 . 0 0 "[ ]" 1 815 1 39 VAL MG1 1 47 ASN H . . 7.000 5.709 5.709 5.709 . 0 0 "[ ]" 1 816 1 39 VAL MG2 1 40 ASN H . . 3.700 2.409 2.409 2.409 . 0 0 "[ ]" 1 817 1 39 VAL MG2 1 41 LEU HG . . 7.000 2.106 2.106 2.106 . 0 0 "[ ]" 1 818 1 40 ASN H 1 40 ASN HB2 . . 3.800 3.058 3.058 3.058 . 0 0 "[ ]" 1 819 1 40 ASN H 1 40 ASN HB3 . . 3.700 2.808 2.808 2.808 . 0 0 "[ ]" 1 820 1 40 ASN H 1 41 LEU H . . 4.800 3.264 3.264 3.264 . 0 0 "[ ]" 1 821 1 40 ASN H 1 44 GLU H . . 6.000 6.002 6.002 6.002 0.002 1 0 "[ ]" 1 822 1 40 ASN H 1 45 THR H . . 4.300 3.691 3.691 3.691 . 0 0 "[ ]" 1 823 1 40 ASN H 1 45 THR HB . . 6.000 4.550 4.550 4.550 . 0 0 "[ ]" 1 824 1 40 ASN H 1 45 THR MG . . 7.000 4.270 4.270 4.270 . 0 0 "[ ]" 1 825 1 40 ASN H 1 46 VAL HA . . 3.700 2.475 2.475 2.475 . 0 0 "[ ]" 1 826 1 40 ASN H 1 46 VAL HB . . 6.000 3.492 3.492 3.492 . 0 0 "[ ]" 1 827 1 40 ASN H 1 47 ASN H . . 4.300 4.205 4.205 4.205 . 0 0 "[ ]" 1 828 1 40 ASN HA 1 41 LEU H . . 2.900 2.480 2.480 2.480 . 0 0 "[ ]" 1 829 1 40 ASN HA 1 42 ALA H . . 5.800 3.133 3.133 3.133 . 0 0 "[ ]" 1 830 1 40 ASN HA 1 43 THR H . . 5.800 4.096 4.096 4.096 . 0 0 "[ ]" 1 831 1 40 ASN HB2 1 41 LEU H . . 4.800 4.674 4.674 4.674 . 0 0 "[ ]" 1 832 1 40 ASN HB2 1 42 ALA H . . 6.000 5.184 5.184 5.184 . 0 0 "[ ]" 1 833 1 40 ASN HB2 1 42 ALA MB . . 7.000 5.263 5.263 5.263 . 0 0 "[ ]" 1 834 1 40 ASN HB2 1 43 THR H . . 5.600 5.015 5.015 5.015 . 0 0 "[ ]" 1 835 1 40 ASN HB2 1 43 THR MG . . 7.000 5.805 5.805 5.805 . 0 0 "[ ]" 1 836 1 40 ASN HB2 1 45 THR HB . . 6.000 4.317 4.317 4.317 . 0 0 "[ ]" 1 837 1 40 ASN HB2 1 46 VAL HB . . 6.000 6.033 6.033 6.033 0.033 1 0 "[ ]" 1 838 1 40 ASN HB3 1 41 LEU H . . 6.000 4.489 4.489 4.489 . 0 0 "[ ]" 1 839 1 40 ASN HB3 1 42 ALA H . . 6.000 4.843 4.843 4.843 . 0 0 "[ ]" 1 840 1 40 ASN HB3 1 43 THR H . . 4.700 3.925 3.925 3.925 . 0 0 "[ ]" 1 841 1 40 ASN HB3 1 43 THR MG . . 7.000 4.735 4.735 4.735 . 0 0 "[ ]" 1 842 1 40 ASN HB3 1 44 GLU H . . 6.000 5.420 5.420 5.420 . 0 0 "[ ]" 1 843 1 40 ASN HB3 1 45 THR H . . 5.000 3.300 3.300 3.300 . 0 0 "[ ]" 1 844 1 40 ASN HB3 1 45 THR HB . . 6.000 2.610 2.610 2.610 . 0 0 "[ ]" 1 845 1 40 ASN HB3 1 46 VAL HA . . 6.000 3.692 3.692 3.692 . 0 0 "[ ]" 1 846 1 40 ASN QD 1 42 ALA H . . 6.870 4.901 4.901 4.901 . 0 0 "[ ]" 1 847 1 40 ASN QD 1 43 THR H . . 6.870 3.987 3.987 3.987 . 0 0 "[ ]" 1 848 1 40 ASN QD 1 45 THR MG . . 6.560 3.460 3.460 3.460 . 0 0 "[ ]" 1 849 1 40 ASN HD21 1 42 ALA MB . . 7.000 5.084 5.084 5.084 . 0 0 "[ ]" 1 850 1 40 ASN HD21 1 45 THR MG . . 7.000 3.556 3.556 3.556 . 0 0 "[ ]" 1 851 1 40 ASN HD22 1 42 ALA MB . . 7.000 3.887 3.887 3.887 . 0 0 "[ ]" 1 852 1 40 ASN HD22 1 45 THR MG . . 7.000 4.742 4.742 4.742 . 0 0 "[ ]" 1 853 1 41 LEU H 1 41 LEU HB2 . . 3.600 2.533 2.533 2.533 . 0 0 "[ ]" 1 854 1 41 LEU H 1 41 LEU HB3 . . 3.900 3.633 3.633 3.633 . 0 0 "[ ]" 1 855 1 41 LEU H 1 41 LEU MD1 . . 5.700 3.835 3.835 3.835 . 0 0 "[ ]" 1 856 1 41 LEU H 1 41 LEU MD2 . . 4.700 3.070 3.070 3.070 . 0 0 "[ ]" 1 857 1 41 LEU H 1 41 LEU HG . . 3.900 2.328 2.328 2.328 . 0 0 "[ ]" 1 858 1 41 LEU H 1 42 ALA H . . 3.800 2.666 2.666 2.666 . 0 0 "[ ]" 1 859 1 41 LEU H 1 42 ALA HA . . 6.000 5.298 5.298 5.298 . 0 0 "[ ]" 1 860 1 41 LEU H 1 43 THR H . . 6.000 4.091 4.091 4.091 . 0 0 "[ ]" 1 861 1 41 LEU H 1 44 GLU HA . . 6.000 5.194 5.194 5.194 . 0 0 "[ ]" 1 862 1 41 LEU H 1 45 THR H . . 6.000 4.357 4.357 4.357 . 0 0 "[ ]" 1 863 1 41 LEU HA 1 41 LEU MD1 . . 4.700 3.764 3.764 3.764 . 0 0 "[ ]" 1 864 1 41 LEU HA 1 41 LEU MD2 . . 4.100 2.012 2.012 2.012 . 0 0 "[ ]" 1 865 1 41 LEU HA 1 41 LEU HG . . 3.900 3.221 3.221 3.221 . 0 0 "[ ]" 1 866 1 41 LEU HA 1 43 THR H . . 5.300 3.188 3.188 3.188 . 0 0 "[ ]" 1 867 1 41 LEU HA 1 44 GLU H . . 4.300 2.430 2.430 2.430 . 0 0 "[ ]" 1 868 1 41 LEU HA 1 44 GLU HA . . 5.600 2.356 2.356 2.356 . 0 0 "[ ]" 1 869 1 41 LEU HA 1 44 GLU QG . . 7.000 3.732 3.732 3.732 . 0 0 "[ ]" 1 870 1 41 LEU HB2 1 42 ALA H . . 3.700 3.342 3.342 3.342 . 0 0 "[ ]" 1 871 1 41 LEU HB2 1 44 GLU H . . 5.100 4.874 4.874 4.874 . 0 0 "[ ]" 1 872 1 41 LEU HB2 1 45 THR H . . 6.000 5.620 5.620 5.620 . 0 0 "[ ]" 1 873 1 41 LEU HB3 1 42 ALA H . . 4.100 4.127 4.127 4.127 0.027 1 0 "[ ]" 1 874 1 41 LEU MD1 1 42 ALA H . . 7.000 5.207 5.207 5.207 . 0 0 "[ ]" 1 875 1 41 LEU MD1 1 44 GLU H . . 7.000 5.472 5.472 5.472 . 0 0 "[ ]" 1 876 1 41 LEU MD1 1 44 GLU HA . . 7.000 4.714 4.714 4.714 . 0 0 "[ ]" 1 877 1 41 LEU MD2 1 42 ALA H . . 7.000 4.560 4.560 4.560 . 0 0 "[ ]" 1 878 1 41 LEU MD2 1 43 THR H . . 7.000 4.563 4.563 4.563 . 0 0 "[ ]" 1 879 1 41 LEU MD2 1 44 GLU H . . 7.000 3.752 3.752 3.752 . 0 0 "[ ]" 1 880 1 41 LEU MD2 1 45 THR H . . 5.900 3.032 3.032 3.032 . 0 0 "[ ]" 1 881 1 41 LEU HG 1 42 ALA H . . 4.600 4.632 4.632 4.632 0.032 1 0 "[ ]" 1 882 1 42 ALA H 1 43 THR H . . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 1 883 1 42 ALA H 1 43 THR MG . . 7.000 5.886 5.886 5.886 . 0 0 "[ ]" 1 884 1 42 ALA H 1 44 GLU H . . 4.800 3.962 3.962 3.962 . 0 0 "[ ]" 1 885 1 42 ALA H 1 44 GLU HA . . 6.000 5.422 5.422 5.422 . 0 0 "[ ]" 1 886 1 42 ALA HA 1 44 GLU H . . 5.100 4.055 4.055 4.055 . 0 0 "[ ]" 1 887 1 42 ALA MB 1 43 THR H . . 3.700 3.048 3.048 3.048 . 0 0 "[ ]" 1 888 1 42 ALA MB 1 43 THR HA . . 5.300 4.344 4.344 4.344 . 0 0 "[ ]" 1 889 1 43 THR H 1 43 THR MG . . 3.700 3.917 3.917 3.917 0.217 1 0 "[ ]" 1 890 1 43 THR H 1 44 GLU H . . 3.200 2.362 2.362 2.362 . 0 0 "[ ]" 1 891 1 43 THR H 1 44 GLU HA . . 5.000 4.213 4.213 4.213 . 0 0 "[ ]" 1 892 1 43 THR H 1 44 GLU QB . . 6.880 4.980 4.980 4.980 . 0 0 "[ ]" 1 893 1 43 THR H 1 44 GLU QG . . 7.000 4.413 4.413 4.413 . 0 0 "[ ]" 1 894 1 43 THR H 1 45 THR H . . 4.200 3.241 3.241 3.241 . 0 0 "[ ]" 1 895 1 43 THR HA 1 45 THR H . . 5.100 4.797 4.797 4.797 . 0 0 "[ ]" 1 896 1 43 THR HB 1 44 GLU H . . 5.500 4.125 4.125 4.125 . 0 0 "[ ]" 1 897 1 43 THR MG 1 44 GLU H . . 6.700 4.462 4.462 4.462 . 0 0 "[ ]" 1 898 1 43 THR MG 1 45 THR HA . . 7.000 5.250 5.250 5.250 . 0 0 "[ ]" 1 899 1 43 THR MG 1 45 THR HB . . 7.000 3.298 3.298 3.298 . 0 0 "[ ]" 1 900 1 44 GLU H 1 44 GLU QG . . 5.000 2.414 2.414 2.414 . 0 0 "[ ]" 1 901 1 44 GLU H 1 45 THR H . . 3.800 3.026 3.026 3.026 . 0 0 "[ ]" 1 902 1 44 GLU HA 1 45 THR H . . 3.400 2.795 2.795 2.795 . 0 0 "[ ]" 1 903 1 44 GLU QG 1 45 THR H . . 7.000 4.505 4.505 4.505 . 0 0 "[ ]" 1 904 1 45 THR H 1 45 THR HB . . 3.300 2.535 2.535 2.535 . 0 0 "[ ]" 1 905 1 45 THR H 1 45 THR MG . . 4.800 3.804 3.804 3.804 . 0 0 "[ ]" 1 906 1 45 THR H 1 46 VAL H . . 5.200 4.402 4.402 4.402 . 0 0 "[ ]" 1 907 1 45 THR H 1 46 VAL HB . . 5.000 5.058 5.058 5.058 0.058 1 0 "[ ]" 1 908 1 45 THR HA 1 46 VAL H . . 3.000 2.291 2.291 2.291 . 0 0 "[ ]" 1 909 1 45 THR HB 1 46 VAL H . . 4.700 4.003 4.003 4.003 . 0 0 "[ ]" 1 910 1 45 THR MG 1 46 VAL H . . 6.100 2.336 2.336 2.336 . 0 0 "[ ]" 1 911 1 46 VAL H 1 46 VAL HB . . 3.500 3.213 3.213 3.213 . 0 0 "[ ]" 1 912 1 46 VAL H 1 47 ASN H . . 5.500 4.379 4.379 4.379 . 0 0 "[ ]" 1 913 1 46 VAL H 1 47 ASN HA . . 5.900 4.790 4.790 4.790 . 0 0 "[ ]" 1 914 1 46 VAL HA 1 47 ASN H . . 2.800 2.214 2.214 2.214 . 0 0 "[ ]" 1 915 1 46 VAL HB 1 47 ASN H . . 4.600 4.005 4.005 4.005 . 0 0 "[ ]" 1 916 1 46 VAL QG 1 47 ASN H . . 5.800 2.272 2.272 2.272 . 0 0 "[ ]" 1 917 1 46 VAL QG 1 47 ASN QD . . 8.520 4.882 4.882 4.882 . 0 0 "[ ]" 1 918 1 46 VAL QG 1 48 VAL H . . 8.160 4.163 4.163 4.163 . 0 0 "[ ]" 1 919 1 46 VAL QG 1 71 VAL MG1 . . 9.560 4.844 4.844 4.844 . 0 0 "[ ]" 1 920 1 46 VAL QG 1 71 VAL MG2 . . 9.560 3.172 3.172 3.172 . 0 0 "[ ]" 1 921 1 46 VAL MG1 1 47 ASN H . . 7.000 3.822 3.822 3.822 . 0 0 "[ ]" 1 922 1 46 VAL MG1 1 47 ASN HD21 . . 10.120 6.764 6.764 6.764 . 0 0 "[ ]" 1 923 1 46 VAL MG1 1 47 ASN HD22 . . 10.120 7.626 7.626 7.626 . 0 0 "[ ]" 1 924 1 46 VAL MG2 1 47 ASN H . . 7.000 2.290 2.290 2.290 . 0 0 "[ ]" 1 925 1 46 VAL MG2 1 47 ASN HD21 . . 10.120 5.300 5.300 5.300 . 0 0 "[ ]" 1 926 1 46 VAL MG2 1 47 ASN HD22 . . 10.120 6.507 6.507 6.507 . 0 0 "[ ]" 1 927 1 47 ASN H 1 47 ASN HD21 . . 6.000 4.308 4.308 4.308 . 0 0 "[ ]" 1 928 1 47 ASN H 1 47 ASN HD22 . . 6.000 5.670 5.670 5.670 . 0 0 "[ ]" 1 929 1 47 ASN H 1 48 VAL H . . 5.400 4.402 4.402 4.402 . 0 0 "[ ]" 1 930 1 47 ASN HA 1 48 VAL H . . 2.900 2.254 2.254 2.254 . 0 0 "[ ]" 1 931 1 47 ASN QD 1 48 VAL H . . 6.870 3.263 3.263 3.263 . 0 0 "[ ]" 1 932 1 47 ASN HD21 1 49 ILE MG . . 7.000 5.683 5.683 5.683 . 0 0 "[ ]" 1 933 1 47 ASN HD22 1 49 ILE MG . . 7.000 4.887 4.887 4.887 . 0 0 "[ ]" 1 934 1 48 VAL H 1 48 VAL HB . . 3.600 3.414 3.414 3.414 . 0 0 "[ ]" 1 935 1 48 VAL H 1 48 VAL MG1 . . 4.800 2.464 2.464 2.464 . 0 0 "[ ]" 1 936 1 48 VAL H 1 49 ILE H . . 6.000 4.283 4.283 4.283 . 0 0 "[ ]" 1 937 1 48 VAL H 1 49 ILE HA . . 5.500 4.696 4.696 4.696 . 0 0 "[ ]" 1 938 1 48 VAL H 1 50 TYR QD . . 8.000 5.204 5.204 5.204 . 0 0 "[ ]" 1 939 1 48 VAL HA 1 49 ILE H . . 3.000 2.153 2.153 2.153 . 0 0 "[ ]" 1 940 1 48 VAL HB 1 49 ILE H . . 5.100 4.050 4.050 4.050 . 0 0 "[ ]" 1 941 1 48 VAL HB 1 60 ILE MD . . 7.000 4.560 4.560 4.560 . 0 0 "[ ]" 1 942 1 48 VAL MG1 1 49 ILE H . . 5.600 3.938 3.938 3.938 . 0 0 "[ ]" 1 943 1 48 VAL MG1 1 50 TYR QD . . 9.000 2.370 2.370 2.370 . 0 0 "[ ]" 1 944 1 48 VAL MG1 1 50 TYR QE . . 9.000 2.268 2.268 2.268 . 0 0 "[ ]" 1 945 1 48 VAL MG2 1 49 ILE H . . 4.100 2.457 2.457 2.457 . 0 0 "[ ]" 1 946 1 48 VAL MG2 1 49 ILE HA . . 7.000 4.056 4.056 4.056 . 0 0 "[ ]" 1 947 1 48 VAL MG2 1 50 TYR H . . 6.800 4.528 4.528 4.528 . 0 0 "[ ]" 1 948 1 48 VAL MG2 1 50 TYR HB2 . . 7.000 4.818 4.818 4.818 . 0 0 "[ ]" 1 949 1 48 VAL MG2 1 50 TYR HB3 . . 7.000 3.339 3.339 3.339 . 0 0 "[ ]" 1 950 1 48 VAL MG2 1 50 TYR QD . . 9.000 2.417 2.417 2.417 . 0 0 "[ ]" 1 951 1 48 VAL MG2 1 50 TYR QE . . 9.000 3.926 3.926 3.926 . 0 0 "[ ]" 1 952 1 48 VAL MG2 1 60 ILE MD . . 8.000 2.975 2.975 2.975 . 0 0 "[ ]" 1 953 1 49 ILE H 1 49 ILE HB . . 3.400 2.508 2.508 2.508 . 0 0 "[ ]" 1 954 1 49 ILE H 1 49 ILE MD . . 5.100 3.552 3.552 3.552 . 0 0 "[ ]" 1 955 1 49 ILE H 1 50 TYR H . . 5.600 4.420 4.420 4.420 . 0 0 "[ ]" 1 956 1 49 ILE H 1 50 TYR QD . . 8.000 4.410 4.410 4.410 . 0 0 "[ ]" 1 957 1 49 ILE HA 1 50 TYR H . . 3.100 2.194 2.194 2.194 . 0 0 "[ ]" 1 958 1 49 ILE HB 1 50 TYR H . . 4.800 4.207 4.207 4.207 . 0 0 "[ ]" 1 959 1 49 ILE MD 1 50 TYR H . . 7.000 5.265 5.265 5.265 . 0 0 "[ ]" 1 960 1 49 ILE QG 1 50 TYR H . . 7.000 4.241 4.241 4.241 . 0 0 "[ ]" 1 961 1 49 ILE QG 1 50 TYR HA . . 7.000 5.869 5.869 5.869 . 0 0 "[ ]" 1 962 1 49 ILE MG 1 50 TYR H . . 4.300 2.687 2.687 2.687 . 0 0 "[ ]" 1 963 1 49 ILE MG 1 50 TYR HA . . 7.000 3.426 3.426 3.426 . 0 0 "[ ]" 1 964 1 50 TYR H 1 50 TYR QE . . 7.000 4.600 4.600 4.600 . 0 0 "[ ]" 1 965 1 50 TYR H 1 51 ASP H . . 5.300 4.412 4.412 4.412 . 0 0 "[ ]" 1 966 1 50 TYR HA 1 50 TYR HB2 . . 2.600 2.521 2.521 2.521 . 0 0 "[ ]" 1 967 1 50 TYR HA 1 50 TYR HB3 . . 2.700 2.395 2.395 2.395 . 0 0 "[ ]" 1 968 1 50 TYR HA 1 51 ASP H . . 3.100 2.421 2.421 2.421 . 0 0 "[ ]" 1 969 1 50 TYR HA 1 51 ASP HB3 . . 4.900 4.724 4.724 4.724 . 0 0 "[ ]" 1 970 1 50 TYR HB2 1 51 ASP H . . 3.600 2.288 2.288 2.288 . 0 0 "[ ]" 1 971 1 50 TYR HB2 1 60 ILE MD . . 7.000 4.060 4.060 4.060 . 0 0 "[ ]" 1 972 1 50 TYR HB3 1 51 ASP H . . 4.000 3.550 3.550 3.550 . 0 0 "[ ]" 1 973 1 50 TYR HB3 1 60 ILE MD . . 7.000 3.426 3.426 3.426 . 0 0 "[ ]" 1 974 1 50 TYR QD 1 51 ASP H . . 8.000 3.503 3.503 3.503 . 0 0 "[ ]" 1 975 1 50 TYR QD 1 51 ASP HA . . 8.000 3.789 3.789 3.789 . 0 0 "[ ]" 1 976 1 50 TYR QD 1 52 PRO HA . . 8.000 3.397 3.397 3.397 . 0 0 "[ ]" 1 977 1 50 TYR QD 1 52 PRO QB . . 9.000 3.773 3.773 3.773 . 0 0 "[ ]" 1 978 1 50 TYR QD 1 52 PRO QD . . 8.880 3.222 3.222 3.222 . 0 0 "[ ]" 1 979 1 50 TYR QD 1 52 PRO HG2 . . 8.000 5.674 5.674 5.674 . 0 0 "[ ]" 1 980 1 50 TYR QD 1 52 PRO HG3 . . 8.000 5.128 5.128 5.128 . 0 0 "[ ]" 1 981 1 50 TYR QD 1 53 ALA H . . 8.000 5.266 5.266 5.266 . 0 0 "[ ]" 1 982 1 50 TYR QD 1 54 GLU H . . 8.000 6.011 6.011 6.011 . 0 0 "[ ]" 1 983 1 50 TYR QD 1 55 THR H . . 8.000 4.678 4.678 4.678 . 0 0 "[ ]" 1 984 1 50 TYR QD 1 56 GLY H . . 8.000 5.090 5.090 5.090 . 0 0 "[ ]" 1 985 1 50 TYR QD 1 56 GLY HA2 . . 8.000 3.284 3.284 3.284 . 0 0 "[ ]" 1 986 1 50 TYR QD 1 56 GLY HA3 . . 8.000 4.378 4.378 4.378 . 0 0 "[ ]" 1 987 1 50 TYR QD 1 60 ILE MD . . 9.000 2.428 2.428 2.428 . 0 0 "[ ]" 1 988 1 50 TYR QE 1 51 ASP H . . 8.000 5.756 5.756 5.756 . 0 0 "[ ]" 1 989 1 50 TYR QE 1 51 ASP HA . . 8.000 5.703 5.703 5.703 . 0 0 "[ ]" 1 990 1 50 TYR QE 1 52 PRO HA . . 7.800 3.849 3.849 3.849 . 0 0 "[ ]" 1 991 1 50 TYR QE 1 52 PRO QB . . 9.000 3.342 3.342 3.342 . 0 0 "[ ]" 1 992 1 50 TYR QE 1 52 PRO QD . . 8.880 4.163 4.163 4.163 . 0 0 "[ ]" 1 993 1 50 TYR QE 1 52 PRO HG2 . . 8.000 6.118 6.118 6.118 . 0 0 "[ ]" 1 994 1 50 TYR QE 1 52 PRO HG3 . . 8.000 5.153 5.153 5.153 . 0 0 "[ ]" 1 995 1 50 TYR QE 1 55 THR H . . 8.000 6.197 6.197 6.197 . 0 0 "[ ]" 1 996 1 50 TYR QE 1 56 GLY H . . 8.000 5.185 5.185 5.185 . 0 0 "[ ]" 1 997 1 50 TYR QE 1 56 GLY HA2 . . 8.000 2.734 2.734 2.734 . 0 0 "[ ]" 1 998 1 50 TYR QE 1 56 GLY HA3 . . 8.000 3.431 3.431 3.431 . 0 0 "[ ]" 1 999 1 50 TYR QE 1 57 THR H . . 8.000 3.457 3.457 3.457 . 0 0 "[ ]" 1 1000 1 50 TYR QE 1 60 ILE MD . . 9.000 2.280 2.280 2.280 . 0 0 "[ ]" 1 1001 1 51 ASP H 1 51 ASP HB2 . . 3.600 2.686 2.686 2.686 . 0 0 "[ ]" 1 1002 1 51 ASP H 1 51 ASP HB3 . . 3.300 2.501 2.501 2.501 . 0 0 "[ ]" 1 1003 1 51 ASP H 1 52 PRO QD . . 6.880 4.255 4.255 4.255 . 0 0 "[ ]" 1 1004 1 51 ASP H 1 53 ALA H . . 4.900 4.772 4.772 4.772 . 0 0 "[ ]" 1 1005 1 51 ASP H 1 54 GLU H . . 5.200 4.862 4.862 4.862 . 0 0 "[ ]" 1 1006 1 51 ASP H 1 54 GLU HB2 . . 6.000 4.630 4.630 4.630 . 0 0 "[ ]" 1 1007 1 51 ASP H 1 54 GLU HB3 . . 6.000 6.097 6.097 6.097 0.097 1 0 "[ ]" 1 1008 1 51 ASP H 1 54 GLU QG . . 7.000 5.879 5.879 5.879 . 0 0 "[ ]" 1 1009 1 51 ASP H 1 55 THR H . . 5.900 3.940 3.940 3.940 . 0 0 "[ ]" 1 1010 1 51 ASP H 1 55 THR MG . . 7.000 3.691 3.691 3.691 . 0 0 "[ ]" 1 1011 1 51 ASP HA 1 53 ALA H . . 4.900 3.788 3.788 3.788 . 0 0 "[ ]" 1 1012 1 51 ASP HB2 1 52 PRO QD . . 6.880 3.963 3.963 3.963 . 0 0 "[ ]" 1 1013 1 51 ASP HB2 1 53 ALA H . . 5.800 4.472 4.472 4.472 . 0 0 "[ ]" 1 1014 1 51 ASP HB2 1 53 ALA MB . . 7.000 4.807 4.807 4.807 . 0 0 "[ ]" 1 1015 1 51 ASP HB2 1 54 GLU H . . 5.200 4.987 4.987 4.987 . 0 0 "[ ]" 1 1016 1 51 ASP HB2 1 55 THR H . . 6.000 5.227 5.227 5.227 . 0 0 "[ ]" 1 1017 1 51 ASP HB2 1 55 THR MG . . 7.000 5.900 5.900 5.900 . 0 0 "[ ]" 1 1018 1 51 ASP HB3 1 53 ALA H . . 5.300 3.372 3.372 3.372 . 0 0 "[ ]" 1 1019 1 51 ASP HB3 1 55 THR H . . 5.800 3.645 3.645 3.645 . 0 0 "[ ]" 1 1020 1 52 PRO HA 1 54 GLU H . . 4.700 4.340 4.340 4.340 . 0 0 "[ ]" 1 1021 1 52 PRO HA 1 55 THR H . . 3.900 3.701 3.701 3.701 . 0 0 "[ ]" 1 1022 1 52 PRO HA 1 56 GLY H . . 6.000 4.953 4.953 4.953 . 0 0 "[ ]" 1 1023 1 52 PRO HA 1 56 GLY HA2 . . 6.000 4.113 4.113 4.113 . 0 0 "[ ]" 1 1024 1 52 PRO QB 1 57 THR MG . . 8.000 5.856 5.856 5.856 . 0 0 "[ ]" 1 1025 1 52 PRO QD 1 53 ALA H . . 5.300 3.223 3.223 3.223 . 0 0 "[ ]" 1 1026 1 52 PRO HD2 1 53 ALA H . . 5.800 3.335 3.335 3.335 . 0 0 "[ ]" 1 1027 1 52 PRO HD3 1 53 ALA H . . 5.800 4.266 4.266 4.266 . 0 0 "[ ]" 1 1028 1 52 PRO QG 1 53 ALA H . . 5.090 3.565 3.565 3.565 . 0 0 "[ ]" 1 1029 1 52 PRO HG2 1 53 ALA H . . 5.500 3.655 3.655 3.655 . 0 0 "[ ]" 1 1030 1 52 PRO HG3 1 53 ALA H . . 5.500 4.956 4.956 4.956 . 0 0 "[ ]" 1 1031 1 53 ALA H 1 53 ALA MB . . 3.400 2.325 2.325 2.325 . 0 0 "[ ]" 1 1032 1 53 ALA H 1 54 GLU H . . 3.000 2.213 2.213 2.213 . 0 0 "[ ]" 1 1033 1 53 ALA H 1 54 GLU HA . . 5.500 4.993 4.993 4.993 . 0 0 "[ ]" 1 1034 1 53 ALA H 1 55 THR H . . 4.200 3.354 3.354 3.354 . 0 0 "[ ]" 1 1035 1 53 ALA H 1 55 THR MG . . 7.000 6.013 6.013 6.013 . 0 0 "[ ]" 1 1036 1 53 ALA MB 1 54 GLU H . . 3.900 2.342 2.342 2.342 . 0 0 "[ ]" 1 1037 1 53 ALA MB 1 55 THR H . . 6.000 4.213 4.213 4.213 . 0 0 "[ ]" 1 1038 1 54 GLU H 1 54 GLU HB2 . . 3.500 2.332 2.332 2.332 . 0 0 "[ ]" 1 1039 1 54 GLU H 1 54 GLU HB3 . . 3.900 3.554 3.554 3.554 . 0 0 "[ ]" 1 1040 1 54 GLU H 1 55 THR H . . 2.800 2.156 2.156 2.156 . 0 0 "[ ]" 1 1041 1 54 GLU H 1 55 THR MG . . 6.800 5.479 5.479 5.479 . 0 0 "[ ]" 1 1042 1 54 GLU HA 1 54 GLU HB3 . . 2.800 2.516 2.516 2.516 . 0 0 "[ ]" 1 1043 1 54 GLU HB2 1 55 THR H . . 3.900 2.525 2.525 2.525 . 0 0 "[ ]" 1 1044 1 54 GLU HB2 1 55 THR MG . . 7.000 4.931 4.931 4.931 . 0 0 "[ ]" 1 1045 1 54 GLU HB3 1 55 THR H . . 4.300 3.486 3.486 3.486 . 0 0 "[ ]" 1 1046 1 54 GLU HB3 1 55 THR MG . . 7.000 5.223 5.223 5.223 . 0 0 "[ ]" 1 1047 1 54 GLU QG 1 55 THR H . . 7.000 4.020 4.020 4.020 . 0 0 "[ ]" 1 1048 1 55 THR H 1 55 THR MG . . 3.700 3.743 3.743 3.743 0.043 1 0 "[ ]" 1 1049 1 55 THR H 1 56 GLY H . . 4.500 4.457 4.457 4.457 . 0 0 "[ ]" 1 1050 1 55 THR HA 1 55 THR HB . . 2.800 2.948 2.948 2.948 0.148 1 0 "[ ]" 1 1051 1 55 THR HA 1 55 THR HG1 . . 3.800 2.540 2.540 2.540 . 0 0 "[ ]" 1 1052 1 55 THR HA 1 56 GLY H . . 3.600 2.209 2.209 2.209 . 0 0 "[ ]" 1 1053 1 55 THR HA 1 59 ALA H . . 6.000 4.816 4.816 4.816 . 0 0 "[ ]" 1 1054 1 55 THR HB 1 56 GLY H . . 4.200 4.261 4.261 4.261 0.061 1 0 "[ ]" 1 1055 1 55 THR HB 1 59 ALA MB . . 7.000 5.409 5.409 5.409 . 0 0 "[ ]" 1 1056 1 55 THR HB 1 60 ILE QG . . 6.880 5.852 5.852 5.852 . 0 0 "[ ]" 1 1057 1 55 THR HG1 1 56 GLY H . . 5.100 4.684 4.684 4.684 . 0 0 "[ ]" 1 1058 1 55 THR HG1 1 59 ALA MB . . 7.000 4.767 4.767 4.767 . 0 0 "[ ]" 1 1059 1 55 THR HG1 1 60 ILE QG . . 6.880 6.171 6.171 6.171 . 0 0 "[ ]" 1 1060 1 55 THR MG 1 56 GLY H . . 4.200 2.763 2.763 2.763 . 0 0 "[ ]" 1 1061 1 55 THR MG 1 57 THR H . . 7.000 4.731 4.731 4.731 . 0 0 "[ ]" 1 1062 1 55 THR MG 1 59 ALA H . . 7.000 4.659 4.659 4.659 . 0 0 "[ ]" 1 1063 1 55 THR MG 1 59 ALA MB . . 8.000 3.174 3.174 3.174 . 0 0 "[ ]" 1 1064 1 55 THR MG 1 60 ILE H . . 7.000 4.257 4.257 4.257 . 0 0 "[ ]" 1 1065 1 55 THR MG 1 60 ILE MD . . 8.000 2.492 2.492 2.492 . 0 0 "[ ]" 1 1066 1 55 THR MG 1 60 ILE QG . . 7.880 2.964 2.964 2.964 . 0 0 "[ ]" 1 1067 1 55 THR MG 1 60 ILE MG . . 8.000 4.821 4.821 4.821 . 0 0 "[ ]" 1 1068 1 56 GLY H 1 57 THR H . . 4.500 4.277 4.277 4.277 . 0 0 "[ ]" 1 1069 1 56 GLY H 1 57 THR HA . . 6.000 5.261 5.261 5.261 . 0 0 "[ ]" 1 1070 1 56 GLY H 1 58 ALA MB . . 4.600 3.875 3.875 3.875 . 0 0 "[ ]" 1 1071 1 56 GLY H 1 59 ALA H . . 4.500 3.018 3.018 3.018 . 0 0 "[ ]" 1 1072 1 56 GLY H 1 59 ALA MB . . 4.500 2.631 2.631 2.631 . 0 0 "[ ]" 1 1073 1 56 GLY H 1 60 ILE H . . 5.200 3.769 3.769 3.769 . 0 0 "[ ]" 1 1074 1 56 GLY H 1 60 ILE HB . . 5.100 4.584 4.584 4.584 . 0 0 "[ ]" 1 1075 1 56 GLY H 1 60 ILE MD . . 6.900 3.974 3.974 3.974 . 0 0 "[ ]" 1 1076 1 56 GLY H 1 60 ILE QG . . 6.880 4.406 4.406 4.406 . 0 0 "[ ]" 1 1077 1 56 GLY H 1 60 ILE MG . . 7.000 5.844 5.844 5.844 . 0 0 "[ ]" 1 1078 1 56 GLY HA2 1 57 THR H . . 3.500 2.467 2.467 2.467 . 0 0 "[ ]" 1 1079 1 56 GLY HA2 1 58 ALA H . . 6.000 4.518 4.518 4.518 . 0 0 "[ ]" 1 1080 1 56 GLY HA2 1 59 ALA H . . 6.000 4.733 4.733 4.733 . 0 0 "[ ]" 1 1081 1 56 GLY HA3 1 59 ALA H . . 5.300 4.303 4.303 4.303 . 0 0 "[ ]" 1 1082 1 57 THR H 1 57 THR HB . . 4.000 2.323 2.323 2.323 . 0 0 "[ ]" 1 1083 1 57 THR H 1 57 THR MG . . 4.300 2.332 2.332 2.332 . 0 0 "[ ]" 1 1084 1 57 THR H 1 58 ALA H . . 4.300 3.021 3.021 3.021 . 0 0 "[ ]" 1 1085 1 57 THR H 1 58 ALA MB . . 6.200 4.479 4.479 4.479 . 0 0 "[ ]" 1 1086 1 57 THR H 1 59 ALA H . . 4.500 4.591 4.591 4.591 0.091 1 0 "[ ]" 1 1087 1 57 THR H 1 60 ILE HB . . 6.000 3.944 3.944 3.944 . 0 0 "[ ]" 1 1088 1 57 THR H 1 60 ILE MD . . 7.000 3.614 3.614 3.614 . 0 0 "[ ]" 1 1089 1 57 THR HA 1 57 THR HB . . 2.700 2.391 2.391 2.391 . 0 0 "[ ]" 1 1090 1 57 THR HA 1 59 ALA H . . 5.200 4.349 4.349 4.349 . 0 0 "[ ]" 1 1091 1 57 THR HA 1 60 ILE H . . 4.200 3.428 3.428 3.428 . 0 0 "[ ]" 1 1092 1 57 THR HA 1 60 ILE HB . . 3.500 2.089 2.089 2.089 . 0 0 "[ ]" 1 1093 1 57 THR HA 1 60 ILE MD . . 7.000 3.104 3.104 3.104 . 0 0 "[ ]" 1 1094 1 57 THR HA 1 60 ILE QG . . 6.880 4.120 4.120 4.120 . 0 0 "[ ]" 1 1095 1 57 THR HB 1 60 ILE HB . . 6.000 4.408 4.408 4.408 . 0 0 "[ ]" 1 1096 1 57 THR MG 1 58 ALA H . . 7.000 2.250 2.250 2.250 . 0 0 "[ ]" 1 1097 1 57 THR MG 1 59 ALA H . . 7.000 4.683 4.683 4.683 . 0 0 "[ ]" 1 1098 1 57 THR MG 1 60 ILE H . . 7.000 5.078 5.078 5.078 . 0 0 "[ ]" 1 1099 1 57 THR MG 1 60 ILE MD . . 8.000 4.940 4.940 4.940 . 0 0 "[ ]" 1 1100 1 57 THR MG 1 61 GLN H . . 7.000 4.926 4.926 4.926 . 0 0 "[ ]" 1 1101 1 57 THR MG 1 61 GLN HE21 . . 7.000 5.146 5.146 5.146 . 0 0 "[ ]" 1 1102 1 57 THR MG 1 61 GLN HE22 . . 7.000 3.793 3.793 3.793 . 0 0 "[ ]" 1 1103 1 57 THR MG 1 73 ILE MG . . 8.000 3.446 3.446 3.446 . 0 0 "[ ]" 1 1104 1 58 ALA H 1 59 ALA H . . 4.200 3.027 3.027 3.027 . 0 0 "[ ]" 1 1105 1 58 ALA H 1 60 ILE H . . 6.000 4.051 4.051 4.051 . 0 0 "[ ]" 1 1106 1 58 ALA H 1 60 ILE HB . . 6.000 4.496 4.496 4.496 . 0 0 "[ ]" 1 1107 1 58 ALA H 1 61 GLN QB . . 7.000 5.451 5.451 5.451 . 0 0 "[ ]" 1 1108 1 58 ALA HA 1 61 GLN H . . 4.500 4.210 4.210 4.210 . 0 0 "[ ]" 1 1109 1 58 ALA HA 1 61 GLN QB . . 4.700 3.713 3.713 3.713 . 0 0 "[ ]" 1 1110 1 58 ALA HA 1 61 GLN HE21 . . 6.000 6.023 6.023 6.023 0.023 1 0 "[ ]" 1 1111 1 58 ALA HA 1 61 GLN HE22 . . 6.000 5.381 5.381 5.381 . 0 0 "[ ]" 1 1112 1 58 ALA MB 1 59 ALA H . . 3.500 2.394 2.394 2.394 . 0 0 "[ ]" 1 1113 1 58 ALA MB 1 61 GLN H . . 6.400 5.068 5.068 5.068 . 0 0 "[ ]" 1 1114 1 59 ALA H 1 59 ALA MB . . 3.600 2.269 2.269 2.269 . 0 0 "[ ]" 1 1115 1 59 ALA H 1 60 ILE H . . 3.300 2.057 2.057 2.057 . 0 0 "[ ]" 1 1116 1 59 ALA H 1 60 ILE HB . . 4.700 3.718 3.718 3.718 . 0 0 "[ ]" 1 1117 1 59 ALA H 1 60 ILE MD . . 7.000 4.668 4.668 4.668 . 0 0 "[ ]" 1 1118 1 59 ALA H 1 60 ILE HG12 . . 6.000 6.014 6.014 6.014 0.014 1 0 "[ ]" 1 1119 1 59 ALA H 1 60 ILE HG13 . . 6.000 4.625 4.625 4.625 . 0 0 "[ ]" 1 1120 1 59 ALA H 1 62 GLU HB3 . . 6.000 5.840 5.840 5.840 . 0 0 "[ ]" 1 1121 1 59 ALA H 1 62 GLU QG . . 7.000 6.284 6.284 6.284 . 0 0 "[ ]" 1 1122 1 59 ALA HA 1 61 GLN H . . 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 1 1123 1 59 ALA HA 1 62 GLU H . . 4.900 3.800 3.800 3.800 . 0 0 "[ ]" 1 1124 1 59 ALA HA 1 62 GLU HB2 . . 3.500 2.842 2.842 2.842 . 0 0 "[ ]" 1 1125 1 59 ALA HA 1 62 GLU HB3 . . 4.000 3.215 3.215 3.215 . 0 0 "[ ]" 1 1126 1 59 ALA HA 1 62 GLU QG . . 7.000 3.869 3.869 3.869 . 0 0 "[ ]" 1 1127 1 59 ALA HA 1 63 LYS H . . 4.400 4.390 4.390 4.390 . 0 0 "[ ]" 1 1128 1 59 ALA MB 1 60 ILE H . . 3.900 2.552 2.552 2.552 . 0 0 "[ ]" 1 1129 1 59 ALA MB 1 62 GLU H . . 6.700 4.887 4.887 4.887 . 0 0 "[ ]" 1 1130 1 59 ALA MB 1 62 GLU HB3 . . 7.000 4.166 4.166 4.166 . 0 0 "[ ]" 1 1131 1 59 ALA MB 1 63 LYS H . . 6.100 4.549 4.549 4.549 . 0 0 "[ ]" 1 1132 1 60 ILE H 1 60 ILE HB . . 2.800 2.009 2.009 2.009 . 0 0 "[ ]" 1 1133 1 60 ILE H 1 60 ILE MD . . 4.400 3.520 3.520 3.520 . 0 0 "[ ]" 1 1134 1 60 ILE H 1 60 ILE HG12 . . 4.900 4.069 4.069 4.069 . 0 0 "[ ]" 1 1135 1 60 ILE H 1 60 ILE QG . . 4.390 2.868 2.868 2.868 . 0 0 "[ ]" 1 1136 1 60 ILE H 1 60 ILE HG13 . . 4.900 2.931 2.931 2.931 . 0 0 "[ ]" 1 1137 1 60 ILE H 1 60 ILE MG . . 4.200 3.487 3.487 3.487 . 0 0 "[ ]" 1 1138 1 60 ILE H 1 61 GLN H . . 3.500 3.056 3.056 3.056 . 0 0 "[ ]" 1 1139 1 60 ILE H 1 61 GLN HA . . 6.000 5.598 5.598 5.598 . 0 0 "[ ]" 1 1140 1 60 ILE H 1 61 GLN QB . . 6.500 4.807 4.807 4.807 . 0 0 "[ ]" 1 1141 1 60 ILE H 1 61 GLN QG . . 6.880 6.141 6.141 6.141 . 0 0 "[ ]" 1 1142 1 60 ILE H 1 62 GLU H . . 5.000 4.369 4.369 4.369 . 0 0 "[ ]" 1 1143 1 60 ILE HA 1 60 ILE HG12 . . 4.000 2.446 2.446 2.446 . 0 0 "[ ]" 1 1144 1 60 ILE HA 1 60 ILE QG . . 3.610 2.097 2.097 2.097 . 0 0 "[ ]" 1 1145 1 60 ILE HA 1 60 ILE HG13 . . 4.000 2.281 2.281 2.281 . 0 0 "[ ]" 1 1146 1 60 ILE HA 1 62 GLU H . . 5.500 4.575 4.575 4.575 . 0 0 "[ ]" 1 1147 1 60 ILE HA 1 63 LYS H . . 4.300 3.355 3.355 3.355 . 0 0 "[ ]" 1 1148 1 60 ILE HA 1 63 LYS HB2 . . 5.000 3.194 3.194 3.194 . 0 0 "[ ]" 1 1149 1 60 ILE HA 1 63 LYS QB . . 4.680 3.098 3.098 3.098 . 0 0 "[ ]" 1 1150 1 60 ILE HA 1 63 LYS HB3 . . 5.000 4.174 4.174 4.174 . 0 0 "[ ]" 1 1151 1 60 ILE HB 1 61 GLN H . . 3.300 3.077 3.077 3.077 . 0 0 "[ ]" 1 1152 1 60 ILE MD 1 61 GLN H . . 7.000 4.861 4.861 4.861 . 0 0 "[ ]" 1 1153 1 60 ILE QG 1 61 GLN H . . 5.550 4.442 4.442 4.442 . 0 0 "[ ]" 1 1154 1 60 ILE QG 1 61 GLN HA . . 6.880 5.675 5.675 5.675 . 0 0 "[ ]" 1 1155 1 60 ILE QG 1 64 ILE HA . . 6.880 6.239 6.239 6.239 . 0 0 "[ ]" 1 1156 1 60 ILE HG12 1 61 GLN H . . 6.000 5.030 5.030 5.030 . 0 0 "[ ]" 1 1157 1 60 ILE HG13 1 61 GLN H . . 6.000 4.944 4.944 4.944 . 0 0 "[ ]" 1 1158 1 60 ILE MG 1 61 GLN H . . 7.000 2.469 2.469 2.469 . 0 0 "[ ]" 1 1159 1 61 GLN H 1 61 GLN HG2 . . 5.200 4.119 4.119 4.119 . 0 0 "[ ]" 1 1160 1 61 GLN H 1 61 GLN QG . . 4.560 3.490 3.490 3.490 . 0 0 "[ ]" 1 1161 1 61 GLN H 1 61 GLN HG3 . . 5.200 3.770 3.770 3.770 . 0 0 "[ ]" 1 1162 1 61 GLN H 1 62 GLU H . . 3.500 2.910 2.910 2.910 . 0 0 "[ ]" 1 1163 1 61 GLN H 1 63 LYS H . . 4.900 4.499 4.499 4.499 . 0 0 "[ ]" 1 1164 1 61 GLN H 1 64 ILE H . . 6.000 4.675 4.675 4.675 . 0 0 "[ ]" 1 1165 1 61 GLN H 1 71 VAL MG1 . . 6.700 3.985 3.985 3.985 . 0 0 "[ ]" 1 1166 1 61 GLN HA 1 61 GLN HE21 . . 6.000 2.623 2.623 2.623 . 0 0 "[ ]" 1 1167 1 61 GLN HA 1 61 GLN HE22 . . 6.000 4.220 4.220 4.220 . 0 0 "[ ]" 1 1168 1 61 GLN HA 1 63 LYS H . . 5.900 4.616 4.616 4.616 . 0 0 "[ ]" 1 1169 1 61 GLN HA 1 64 ILE H . . 4.500 3.451 3.451 3.451 . 0 0 "[ ]" 1 1170 1 61 GLN HA 1 64 ILE HB . . 4.300 2.324 2.324 2.324 . 0 0 "[ ]" 1 1171 1 61 GLN HA 1 64 ILE QG . . 6.880 2.878 2.878 2.878 . 0 0 "[ ]" 1 1172 1 61 GLN HA 1 64 ILE MG . . 7.000 3.717 3.717 3.717 . 0 0 "[ ]" 1 1173 1 61 GLN HA 1 65 GLU H . . 5.800 3.787 3.787 3.787 . 0 0 "[ ]" 1 1174 1 61 GLN HA 1 71 VAL MG2 . . 7.000 4.935 4.935 4.935 . 0 0 "[ ]" 1 1175 1 61 GLN QB 1 64 ILE MD . . 8.000 5.997 5.997 5.997 . 0 0 "[ ]" 1 1176 1 61 GLN QB 1 64 ILE HG12 . . 7.000 5.480 5.480 5.480 . 0 0 "[ ]" 1 1177 1 61 GLN QB 1 64 ILE HG13 . . 7.000 5.085 5.085 5.085 . 0 0 "[ ]" 1 1178 1 61 GLN HE21 1 64 ILE HB . . 6.000 4.331 4.331 4.331 . 0 0 "[ ]" 1 1179 1 61 GLN HE21 1 71 VAL MG2 . . 6.700 3.679 3.679 3.679 . 0 0 "[ ]" 1 1180 1 61 GLN HE22 1 64 ILE HB . . 6.000 6.054 6.054 6.054 0.054 1 0 "[ ]" 1 1181 1 61 GLN HE22 1 71 VAL MG2 . . 6.800 4.231 4.231 4.231 . 0 0 "[ ]" 1 1182 1 61 GLN QG 1 62 GLU H . . 5.690 4.358 4.358 4.358 . 0 0 "[ ]" 1 1183 1 61 GLN HG2 1 62 GLU H . . 6.000 4.858 4.858 4.858 . 0 0 "[ ]" 1 1184 1 61 GLN HG2 1 71 VAL MG1 . . 7.000 3.604 3.604 3.604 . 0 0 "[ ]" 1 1185 1 61 GLN HG2 1 71 VAL MG2 . . 7.000 5.782 5.782 5.782 . 0 0 "[ ]" 1 1186 1 61 GLN HG3 1 62 GLU H . . 6.000 4.928 4.928 4.928 . 0 0 "[ ]" 1 1187 1 61 GLN HG3 1 71 VAL MG1 . . 7.000 2.240 2.240 2.240 . 0 0 "[ ]" 1 1188 1 61 GLN HG3 1 71 VAL MG2 . . 7.000 4.549 4.549 4.549 . 0 0 "[ ]" 1 1189 1 62 GLU H 1 62 GLU HB2 . . 3.800 2.053 2.053 2.053 . 0 0 "[ ]" 1 1190 1 62 GLU H 1 62 GLU HB3 . . 3.200 3.082 3.082 3.082 . 0 0 "[ ]" 1 1191 1 62 GLU H 1 63 LYS H . . 3.400 3.100 3.100 3.100 . 0 0 "[ ]" 1 1192 1 62 GLU H 1 64 ILE H . . 5.100 4.342 4.342 4.342 . 0 0 "[ ]" 1 1193 1 62 GLU HA 1 64 ILE H . . 5.500 4.720 4.720 4.720 . 0 0 "[ ]" 1 1194 1 62 GLU HA 1 65 GLU H . . 3.800 3.895 3.895 3.895 0.095 1 0 "[ ]" 1 1195 1 62 GLU HA 1 65 GLU QB . . 4.780 3.068 3.068 3.068 . 0 0 "[ ]" 1 1196 1 62 GLU HA 1 65 GLU QG . . 6.880 3.517 3.517 3.517 . 0 0 "[ ]" 1 1197 1 62 GLU HA 1 66 LYS H . . 5.900 4.711 4.711 4.711 . 0 0 "[ ]" 1 1198 1 62 GLU HB2 1 63 LYS H . . 4.100 3.454 3.454 3.454 . 0 0 "[ ]" 1 1199 1 62 GLU HB3 1 63 LYS H . . 3.400 2.557 2.557 2.557 . 0 0 "[ ]" 1 1200 1 62 GLU QG 1 63 LYS H . . 7.000 4.465 4.465 4.465 . 0 0 "[ ]" 1 1201 1 63 LYS H 1 63 LYS HB2 . . 3.200 2.143 2.143 2.143 . 0 0 "[ ]" 1 1202 1 63 LYS H 1 63 LYS HB3 . . 3.200 3.287 3.287 3.287 0.087 1 0 "[ ]" 1 1203 1 63 LYS H 1 63 LYS QD . . 5.700 2.840 2.840 2.840 . 0 0 "[ ]" 1 1204 1 63 LYS H 1 63 LYS HE2 . . 6.000 5.486 5.486 5.486 . 0 0 "[ ]" 1 1205 1 63 LYS H 1 63 LYS HE3 . . 6.000 4.260 4.260 4.260 . 0 0 "[ ]" 1 1206 1 63 LYS H 1 63 LYS HG2 . . 5.000 4.403 4.403 4.403 . 0 0 "[ ]" 1 1207 1 63 LYS H 1 63 LYS QG . . 4.820 3.907 3.907 3.907 . 0 0 "[ ]" 1 1208 1 63 LYS H 1 63 LYS HG3 . . 5.000 4.367 4.367 4.367 . 0 0 "[ ]" 1 1209 1 63 LYS H 1 64 ILE H . . 3.300 2.652 2.652 2.652 . 0 0 "[ ]" 1 1210 1 63 LYS H 1 64 ILE QG . . 6.880 4.278 4.278 4.278 . 0 0 "[ ]" 1 1211 1 63 LYS H 1 64 ILE MG . . 7.000 5.835 5.835 5.835 . 0 0 "[ ]" 1 1212 1 63 LYS H 1 65 GLU H . . 4.900 4.300 4.300 4.300 . 0 0 "[ ]" 1 1213 1 63 LYS H 1 66 LYS H . . 5.400 4.888 4.888 4.888 . 0 0 "[ ]" 1 1214 1 63 LYS HA 1 63 LYS HE2 . . 6.000 3.529 3.529 3.529 . 0 0 "[ ]" 1 1215 1 63 LYS HA 1 63 LYS QE . . 5.790 2.175 2.175 2.175 . 0 0 "[ ]" 1 1216 1 63 LYS HA 1 63 LYS HE3 . . 6.000 2.196 2.196 2.196 . 0 0 "[ ]" 1 1217 1 63 LYS HA 1 63 LYS HG2 . . 4.200 3.511 3.511 3.511 . 0 0 "[ ]" 1 1218 1 63 LYS HA 1 63 LYS QG . . 3.810 2.304 2.304 2.304 . 0 0 "[ ]" 1 1219 1 63 LYS HA 1 63 LYS HG3 . . 4.200 2.337 2.337 2.337 . 0 0 "[ ]" 1 1220 1 63 LYS HA 1 65 GLU QB . . 5.080 4.550 4.550 4.550 . 0 0 "[ ]" 1 1221 1 63 LYS HA 1 66 LYS H . . 3.700 3.111 3.111 3.111 . 0 0 "[ ]" 1 1222 1 63 LYS HA 1 66 LYS HB2 . . 3.800 3.033 3.033 3.033 . 0 0 "[ ]" 1 1223 1 63 LYS HA 1 66 LYS QB . . 3.600 2.637 2.637 2.637 . 0 0 "[ ]" 1 1224 1 63 LYS HA 1 66 LYS HB3 . . 3.800 2.896 2.896 2.896 . 0 0 "[ ]" 1 1225 1 63 LYS HA 1 66 LYS QE . . 6.880 4.433 4.433 4.433 . 0 0 "[ ]" 1 1226 1 63 LYS QB 1 64 ILE H . . 3.600 2.891 2.891 2.891 . 0 0 "[ ]" 1 1227 1 63 LYS HB2 1 64 ILE H . . 3.900 3.354 3.354 3.354 . 0 0 "[ ]" 1 1228 1 63 LYS HB3 1 64 ILE H . . 3.900 3.158 3.158 3.158 . 0 0 "[ ]" 1 1229 1 63 LYS QD 1 64 ILE H . . 7.000 4.846 4.846 4.846 . 0 0 "[ ]" 1 1230 1 63 LYS QG 1 66 LYS H . . 6.880 4.800 4.800 4.800 . 0 0 "[ ]" 1 1231 1 63 LYS QG 1 67 LEU H . . 6.880 4.645 4.645 4.645 . 0 0 "[ ]" 1 1232 1 63 LYS HG2 1 64 ILE H . . 6.000 5.358 5.358 5.358 . 0 0 "[ ]" 1 1233 1 63 LYS HG3 1 64 ILE H . . 6.000 5.057 5.057 5.057 . 0 0 "[ ]" 1 1234 1 64 ILE H 1 64 ILE HB . . 3.400 2.451 2.451 2.451 . 0 0 "[ ]" 1 1235 1 64 ILE H 1 64 ILE MD . . 4.900 3.631 3.631 3.631 . 0 0 "[ ]" 1 1236 1 64 ILE H 1 64 ILE HG12 . . 4.700 2.273 2.273 2.273 . 0 0 "[ ]" 1 1237 1 64 ILE H 1 64 ILE QG . . 4.470 2.244 2.244 2.244 . 0 0 "[ ]" 1 1238 1 64 ILE H 1 64 ILE HG13 . . 4.700 3.472 3.472 3.472 . 0 0 "[ ]" 1 1239 1 64 ILE H 1 64 ILE MG . . 4.400 3.720 3.720 3.720 . 0 0 "[ ]" 1 1240 1 64 ILE H 1 65 GLU H . . 3.400 2.839 2.839 2.839 . 0 0 "[ ]" 1 1241 1 64 ILE H 1 65 GLU HA . . 6.000 5.457 5.457 5.457 . 0 0 "[ ]" 1 1242 1 64 ILE H 1 65 GLU QB . . 6.480 4.569 4.569 4.569 . 0 0 "[ ]" 1 1243 1 64 ILE H 1 65 GLU HG2 . . 6.000 4.843 4.843 4.843 . 0 0 "[ ]" 1 1244 1 64 ILE H 1 65 GLU HG3 . . 6.000 5.988 5.988 5.988 . 0 0 "[ ]" 1 1245 1 64 ILE H 1 66 LYS H . . 5.500 4.173 4.173 4.173 . 0 0 "[ ]" 1 1246 1 64 ILE HA 1 64 ILE MD . . 4.700 2.377 2.377 2.377 . 0 0 "[ ]" 1 1247 1 64 ILE HA 1 64 ILE HG12 . . 4.100 2.855 2.855 2.855 . 0 0 "[ ]" 1 1248 1 64 ILE HA 1 64 ILE QG . . 3.710 2.776 2.776 2.776 . 0 0 "[ ]" 1 1249 1 64 ILE HA 1 64 ILE HG13 . . 4.100 3.785 3.785 3.785 . 0 0 "[ ]" 1 1250 1 64 ILE HA 1 67 LEU H . . 4.200 3.321 3.321 3.321 . 0 0 "[ ]" 1 1251 1 64 ILE HA 1 67 LEU HB2 . . 4.000 2.340 2.340 2.340 . 0 0 "[ ]" 1 1252 1 64 ILE HA 1 67 LEU HB3 . . 3.800 3.853 3.853 3.853 0.053 1 0 "[ ]" 1 1253 1 64 ILE HA 1 67 LEU MD1 . . 7.000 4.728 4.728 4.728 . 0 0 "[ ]" 1 1254 1 64 ILE HA 1 67 LEU MD2 . . 7.000 2.758 2.758 2.758 . 0 0 "[ ]" 1 1255 1 64 ILE HA 1 69 TYR QD . . 8.000 4.955 4.955 4.955 . 0 0 "[ ]" 1 1256 1 64 ILE HA 1 69 TYR QE . . 8.000 6.792 6.792 6.792 . 0 0 "[ ]" 1 1257 1 64 ILE HB 1 65 GLU H . . 3.700 2.600 2.600 2.600 . 0 0 "[ ]" 1 1258 1 64 ILE MD 1 65 GLU H . . 6.500 4.913 4.913 4.913 . 0 0 "[ ]" 1 1259 1 64 ILE MD 1 69 TYR H . . 7.000 5.459 5.459 5.459 . 0 0 "[ ]" 1 1260 1 64 ILE MD 1 69 TYR QD . . 9.000 5.042 5.042 5.042 . 0 0 "[ ]" 1 1261 1 64 ILE MD 1 69 TYR QE . . 9.000 6.374 6.374 6.374 . 0 0 "[ ]" 1 1262 1 64 ILE MD 1 70 HIS HA . . 7.000 5.131 5.131 5.131 . 0 0 "[ ]" 1 1263 1 64 ILE MD 1 71 VAL H . . 6.300 4.451 4.451 4.451 . 0 0 "[ ]" 1 1264 1 64 ILE MD 1 71 VAL MG1 . . 8.000 3.313 3.313 3.313 . 0 0 "[ ]" 1 1265 1 64 ILE QG 1 70 HIS HA . . 6.880 5.172 5.172 5.172 . 0 0 "[ ]" 1 1266 1 64 ILE HG12 1 65 GLU H . . 6.000 4.488 4.488 4.488 . 0 0 "[ ]" 1 1267 1 64 ILE HG13 1 65 GLU H . . 6.000 4.830 4.830 4.830 . 0 0 "[ ]" 1 1268 1 64 ILE MG 1 65 GLU H . . 7.000 3.231 3.231 3.231 . 0 0 "[ ]" 1 1269 1 64 ILE MG 1 69 TYR H . . 7.000 3.387 3.387 3.387 . 0 0 "[ ]" 1 1270 1 64 ILE MG 1 71 VAL HB . . 7.000 2.090 2.090 2.090 . 0 0 "[ ]" 1 1271 1 65 GLU H 1 65 GLU HB2 . . 3.900 2.263 2.263 2.263 . 0 0 "[ ]" 1 1272 1 65 GLU H 1 65 GLU QB . . 3.700 2.237 2.237 2.237 . 0 0 "[ ]" 1 1273 1 65 GLU H 1 65 GLU HB3 . . 3.900 3.515 3.515 3.515 . 0 0 "[ ]" 1 1274 1 65 GLU H 1 65 GLU HG2 . . 3.900 2.373 2.373 2.373 . 0 0 "[ ]" 1 1275 1 65 GLU H 1 65 GLU QG . . 3.650 2.338 2.338 2.338 . 0 0 "[ ]" 1 1276 1 65 GLU H 1 65 GLU HG3 . . 3.900 3.524 3.524 3.524 . 0 0 "[ ]" 1 1277 1 65 GLU H 1 66 LYS H . . 3.500 2.781 2.781 2.781 . 0 0 "[ ]" 1 1278 1 65 GLU H 1 69 TYR H . . 6.000 4.909 4.909 4.909 . 0 0 "[ ]" 1 1279 1 65 GLU HA 1 65 GLU HG2 . . 4.200 2.758 2.758 2.758 . 0 0 "[ ]" 1 1280 1 65 GLU HA 1 65 GLU QG . . 3.910 2.684 2.684 2.684 . 0 0 "[ ]" 1 1281 1 65 GLU HA 1 65 GLU HG3 . . 4.200 3.674 3.674 3.674 . 0 0 "[ ]" 1 1282 1 65 GLU HA 1 67 LEU H . . 5.500 4.578 4.578 4.578 . 0 0 "[ ]" 1 1283 1 65 GLU HA 1 68 GLY H . . 4.200 3.580 3.580 3.580 . 0 0 "[ ]" 1 1284 1 65 GLU HA 1 69 TYR H . . 3.600 3.114 3.114 3.114 . 0 0 "[ ]" 1 1285 1 65 GLU QB 1 66 LYS H . . 3.490 2.623 2.623 2.623 . 0 0 "[ ]" 1 1286 1 65 GLU QB 1 71 VAL H . . 6.880 6.171 6.171 6.171 . 0 0 "[ ]" 1 1287 1 65 GLU HB2 1 66 LYS H . . 3.700 2.706 2.706 2.706 . 0 0 "[ ]" 1 1288 1 65 GLU HB3 1 66 LYS H . . 3.700 3.518 3.518 3.518 . 0 0 "[ ]" 1 1289 1 65 GLU QG 1 70 HIS HA . . 6.880 3.663 3.663 3.663 . 0 0 "[ ]" 1 1290 1 65 GLU QG 1 71 VAL H . . 5.840 4.335 4.335 4.335 . 0 0 "[ ]" 1 1291 1 65 GLU HG2 1 66 LYS H . . 6.000 4.585 4.585 4.585 . 0 0 "[ ]" 1 1292 1 65 GLU HG2 1 71 VAL H . . 6.000 4.445 4.445 4.445 . 0 0 "[ ]" 1 1293 1 65 GLU HG3 1 66 LYS H . . 6.000 5.029 5.029 5.029 . 0 0 "[ ]" 1 1294 1 65 GLU HG3 1 71 VAL H . . 6.000 6.015 6.015 6.015 0.015 1 0 "[ ]" 1 1295 1 66 LYS H 1 66 LYS HB2 . . 3.700 2.245 2.245 2.245 . 0 0 "[ ]" 1 1296 1 66 LYS H 1 66 LYS HB3 . . 3.700 2.694 2.694 2.694 . 0 0 "[ ]" 1 1297 1 66 LYS H 1 66 LYS QD . . 5.100 4.546 4.546 4.546 . 0 0 "[ ]" 1 1298 1 66 LYS H 1 66 LYS HE2 . . 6.000 4.049 4.049 4.049 . 0 0 "[ ]" 1 1299 1 66 LYS H 1 66 LYS HE3 . . 6.000 4.729 4.729 4.729 . 0 0 "[ ]" 1 1300 1 66 LYS H 1 67 LEU H . . 3.600 2.563 2.563 2.563 . 0 0 "[ ]" 1 1301 1 66 LYS H 1 67 LEU HA . . 6.000 5.218 5.218 5.218 . 0 0 "[ ]" 1 1302 1 66 LYS H 1 67 LEU MD1 . . 7.000 5.865 5.865 5.865 . 0 0 "[ ]" 1 1303 1 66 LYS H 1 67 LEU MD2 . . 7.000 3.912 3.912 3.912 . 0 0 "[ ]" 1 1304 1 66 LYS H 1 68 GLY H . . 5.100 3.766 3.766 3.766 . 0 0 "[ ]" 1 1305 1 66 LYS HA 1 66 LYS HB2 . . 3.000 2.593 2.593 2.593 . 0 0 "[ ]" 1 1306 1 66 LYS HA 1 66 LYS HB3 . . 3.000 3.010 3.010 3.010 0.010 1 0 "[ ]" 1 1307 1 66 LYS QB 1 67 LEU H . . 3.850 2.712 2.712 2.712 . 0 0 "[ ]" 1 1308 1 66 LYS QB 1 69 TYR H . . 6.580 5.980 5.980 5.980 . 0 0 "[ ]" 1 1309 1 66 LYS HB2 1 67 LEU H . . 4.100 3.771 3.771 3.771 . 0 0 "[ ]" 1 1310 1 66 LYS HB3 1 67 LEU H . . 4.100 2.780 2.780 2.780 . 0 0 "[ ]" 1 1311 1 66 LYS QD 1 67 LEU H . . 7.000 5.383 5.383 5.383 . 0 0 "[ ]" 1 1312 1 67 LEU H 1 67 LEU HB2 . . 3.400 2.189 2.189 2.189 . 0 0 "[ ]" 1 1313 1 67 LEU H 1 67 LEU MD1 . . 5.300 3.797 3.797 3.797 . 0 0 "[ ]" 1 1314 1 67 LEU H 1 67 LEU QD . . 4.860 2.295 2.295 2.295 . 0 0 "[ ]" 1 1315 1 67 LEU H 1 67 LEU MD2 . . 5.300 2.314 2.314 2.314 . 0 0 "[ ]" 1 1316 1 67 LEU H 1 67 LEU HG . . 3.800 3.892 3.892 3.892 0.092 1 0 "[ ]" 1 1317 1 67 LEU H 1 68 GLY H . . 3.400 2.717 2.717 2.717 . 0 0 "[ ]" 1 1318 1 67 LEU H 1 69 TYR H . . 4.600 4.183 4.183 4.183 . 0 0 "[ ]" 1 1319 1 67 LEU HA 1 67 LEU HB3 . . 3.000 2.678 2.678 2.678 . 0 0 "[ ]" 1 1320 1 67 LEU HA 1 67 LEU HG . . 3.900 3.692 3.692 3.692 . 0 0 "[ ]" 1 1321 1 67 LEU HA 1 69 TYR H . . 6.000 5.105 5.105 5.105 . 0 0 "[ ]" 1 1322 1 67 LEU HB2 1 68 GLY H . . 4.200 3.327 3.327 3.327 . 0 0 "[ ]" 1 1323 1 67 LEU HB2 1 69 TYR H . . 3.900 3.794 3.794 3.794 . 0 0 "[ ]" 1 1324 1 67 LEU HB3 1 68 GLY H . . 5.300 3.851 3.851 3.851 . 0 0 "[ ]" 1 1325 1 67 LEU HB3 1 69 TYR H . . 5.400 4.221 4.221 4.221 . 0 0 "[ ]" 1 1326 1 67 LEU HB3 1 69 TYR QD . . 8.000 2.571 2.571 2.571 . 0 0 "[ ]" 1 1327 1 67 LEU HB3 1 69 TYR QE . . 8.000 3.454 3.454 3.454 . 0 0 "[ ]" 1 1328 1 67 LEU QD 1 69 TYR QD . . 10.570 4.110 4.110 4.110 . 0 0 "[ ]" 1 1329 1 67 LEU QD 1 69 TYR QE . . 10.570 3.972 3.972 3.972 . 0 0 "[ ]" 1 1330 1 67 LEU MD1 1 68 GLY H . . 7.000 4.879 4.879 4.879 . 0 0 "[ ]" 1 1331 1 67 LEU MD2 1 68 GLY H . . 7.000 4.443 4.443 4.443 . 0 0 "[ ]" 1 1332 1 67 LEU HG 1 68 GLY H . . 6.000 5.524 5.524 5.524 . 0 0 "[ ]" 1 1333 1 67 LEU HG 1 69 TYR QE . . 8.000 5.487 5.487 5.487 . 0 0 "[ ]" 1 1334 1 68 GLY H 1 69 TYR H . . 3.200 2.213 2.213 2.213 . 0 0 "[ ]" 1 1335 1 68 GLY H 1 69 TYR QD . . 8.000 3.619 3.619 3.619 . 0 0 "[ ]" 1 1336 1 69 TYR H 1 69 TYR HB2 . . 3.800 2.802 2.802 2.802 . 0 0 "[ ]" 1 1337 1 69 TYR H 1 69 TYR HB3 . . 4.100 3.886 3.886 3.886 . 0 0 "[ ]" 1 1338 1 69 TYR H 1 69 TYR QE . . 5.500 4.943 4.943 4.943 . 0 0 "[ ]" 1 1339 1 69 TYR H 1 70 HIS H . . 5.800 4.442 4.442 4.442 . 0 0 "[ ]" 1 1340 1 69 TYR H 1 70 HIS HA . . 6.000 4.485 4.485 4.485 . 0 0 "[ ]" 1 1341 1 69 TYR H 1 71 VAL H . . 6.000 6.049 6.049 6.049 0.049 1 0 "[ ]" 1 1342 1 69 TYR HA 1 69 TYR HB3 . . 3.000 2.468 2.468 2.468 . 0 0 "[ ]" 1 1343 1 69 TYR HA 1 69 TYR QE . . 5.800 4.893 4.893 4.893 . 0 0 "[ ]" 1 1344 1 69 TYR HA 1 70 HIS H . . 3.300 2.634 2.634 2.634 . 0 0 "[ ]" 1 1345 1 69 TYR HA 1 70 HIS QB . . 5.680 4.261 4.261 4.261 . 0 0 "[ ]" 1 1346 1 69 TYR HA 1 70 HIS HD2 . . 6.000 4.192 4.192 4.192 . 0 0 "[ ]" 1 1347 1 69 TYR HB2 1 70 HIS H . . 3.700 3.481 3.481 3.481 . 0 0 "[ ]" 1 1348 1 69 TYR HB3 1 70 HIS H . . 3.700 2.432 2.432 2.432 . 0 0 "[ ]" 1 1349 1 69 TYR QD 1 70 HIS H . . 8.000 4.109 4.109 4.109 . 0 0 "[ ]" 1 1350 1 70 HIS H 1 70 HIS HB2 . . 3.700 3.862 3.862 3.862 0.162 1 0 "[ ]" 1 1351 1 70 HIS H 1 70 HIS QB . . 3.490 3.012 3.012 3.012 . 0 0 "[ ]" 1 1352 1 70 HIS H 1 70 HIS HB3 . . 3.700 3.143 3.143 3.143 . 0 0 "[ ]" 1 1353 1 70 HIS H 1 70 HIS HD2 . . 6.000 2.599 2.599 2.599 . 0 0 "[ ]" 1 1354 1 70 HIS H 1 71 VAL H . . 5.100 4.164 4.164 4.164 . 0 0 "[ ]" 1 1355 1 70 HIS H 1 71 VAL MG1 . . 7.000 5.618 5.618 5.618 . 0 0 "[ ]" 1 1356 1 70 HIS HA 1 71 VAL H . . 2.900 2.039 2.039 2.039 . 0 0 "[ ]" 1 1357 1 70 HIS QB 1 71 VAL H . . 4.370 3.008 3.008 3.008 . 0 0 "[ ]" 1 1358 1 70 HIS HB2 1 70 HIS HD2 . . 4.000 3.900 3.900 3.900 . 0 0 "[ ]" 1 1359 1 70 HIS HB2 1 71 VAL H . . 4.700 3.080 3.080 3.080 . 0 0 "[ ]" 1 1360 1 70 HIS HB3 1 70 HIS HD2 . . 4.000 3.001 3.001 3.001 . 0 0 "[ ]" 1 1361 1 70 HIS HB3 1 71 VAL H . . 4.700 4.214 4.214 4.214 . 0 0 "[ ]" 1 1362 1 70 HIS HD2 1 72 VAL MG1 . . 7.000 5.400 5.400 5.400 . 0 0 "[ ]" 1 1363 1 70 HIS HD2 1 72 VAL MG2 . . 7.000 5.891 5.891 5.891 . 0 0 "[ ]" 1 1364 1 71 VAL H 1 71 VAL HB . . 3.200 2.813 2.813 2.813 . 0 0 "[ ]" 1 1365 1 71 VAL H 1 71 VAL MG1 . . 4.100 2.024 2.024 2.024 . 0 0 "[ ]" 1 1366 1 71 VAL H 1 72 VAL H . . 5.000 4.613 4.613 4.613 . 0 0 "[ ]" 1 1367 1 71 VAL HA 1 72 VAL H . . 2.900 2.309 2.309 2.309 . 0 0 "[ ]" 1 1368 1 71 VAL MG1 1 72 VAL H . . 5.700 3.707 3.707 3.707 . 0 0 "[ ]" 1 1369 1 71 VAL MG1 1 73 ILE MD . . 8.000 2.940 2.940 2.940 . 0 0 "[ ]" 1 1370 1 71 VAL MG2 1 72 VAL H . . 4.700 2.250 2.250 2.250 . 0 0 "[ ]" 1 1371 1 72 VAL H 1 72 VAL HB . . 3.700 3.622 3.622 3.622 . 0 0 "[ ]" 1 1372 1 72 VAL H 1 72 VAL MG1 . . 4.200 3.423 3.423 3.423 . 0 0 "[ ]" 1 1373 1 72 VAL H 1 72 VAL MG2 . . 4.800 2.097 2.097 2.097 . 0 0 "[ ]" 1 1374 1 72 VAL H 1 73 ILE H . . 4.600 4.201 4.201 4.201 . 0 0 "[ ]" 1 1375 1 72 VAL H 1 73 ILE HA . . 6.000 4.954 4.954 4.954 . 0 0 "[ ]" 1 1376 1 72 VAL HA 1 73 ILE H . . 2.800 2.118 2.118 2.118 . 0 0 "[ ]" 1 1377 1 72 VAL HA 1 74 GLU H . . 5.300 4.249 4.249 4.249 . 0 0 "[ ]" 1 1378 1 72 VAL HB 1 73 ILE H . . 3.800 3.732 3.732 3.732 . 0 0 "[ ]" 1 1379 1 72 VAL MG1 1 73 ILE H . . 4.700 3.692 3.692 3.692 . 0 0 "[ ]" 1 1380 1 73 ILE H 1 73 ILE HB . . 3.700 2.593 2.593 2.593 . 0 0 "[ ]" 1 1381 1 73 ILE H 1 73 ILE MD . . 4.800 3.297 3.297 3.297 . 0 0 "[ ]" 1 1382 1 73 ILE H 1 73 ILE HG12 . . 4.100 2.305 2.305 2.305 . 0 0 "[ ]" 1 1383 1 73 ILE H 1 73 ILE HG13 . . 4.100 3.745 3.745 3.745 . 0 0 "[ ]" 1 1384 1 73 ILE H 1 73 ILE MG . . 4.700 3.826 3.826 3.826 . 0 0 "[ ]" 1 1385 1 73 ILE H 1 74 GLU H . . 4.300 3.611 3.611 3.611 . 0 0 "[ ]" 1 1386 1 73 ILE HB 1 74 GLU H . . 4.600 4.433 4.433 4.433 . 0 0 "[ ]" 1 1387 1 73 ILE MD 1 74 GLU H . . 7.000 4.201 4.201 4.201 . 0 0 "[ ]" 1 1388 1 73 ILE HG12 1 74 GLU H . . 6.000 5.124 5.124 5.124 . 0 0 "[ ]" 1 1389 1 73 ILE HG13 1 74 GLU H . . 6.000 5.977 5.977 5.977 . 0 0 "[ ]" 1 1390 1 73 ILE MG 1 74 GLU H . . 4.600 3.854 3.854 3.854 . 0 0 "[ ]" 1 1391 1 73 ILE MG 1 75 GLY H . . 6.300 5.260 5.260 5.260 . 0 0 "[ ]" 1 1392 1 73 ILE MG 1 76 ARG H . . 7.000 4.045 4.045 4.045 . 0 0 "[ ]" 1 1393 1 74 GLU H 1 74 GLU HB2 . . 4.000 2.831 2.831 2.831 . 0 0 "[ ]" 1 1394 1 74 GLU H 1 74 GLU HB3 . . 4.000 3.093 3.093 3.093 . 0 0 "[ ]" 1 1395 1 74 GLU H 1 75 GLY H . . 4.500 4.428 4.428 4.428 . 0 0 "[ ]" 1 1396 1 74 GLU HA 1 75 GLY H . . 3.300 2.356 2.356 2.356 . 0 0 "[ ]" 1 1397 1 74 GLU HB2 1 75 GLY H . . 5.400 4.101 4.101 4.101 . 0 0 "[ ]" 1 1398 1 74 GLU HB3 1 75 GLY H . . 5.400 3.213 3.213 3.213 . 0 0 "[ ]" 1 1399 1 74 GLU QG 1 75 GLY H . . 7.000 2.039 2.039 2.039 . 0 0 "[ ]" 1 1400 1 75 GLY H 1 76 ARG H . . 4.500 3.671 3.671 3.671 . 0 0 "[ ]" 1 stop_ save_
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