NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
382890 | 1joo | 494 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1joo 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 1656 _Distance_constraint_stats_list.Viol_count 40 _Distance_constraint_stats_list.Viol_total 1.335 _Distance_constraint_stats_list.Viol_max 0.418 _Distance_constraint_stats_list.Viol_rms 0.0118 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0008 _Distance_constraint_stats_list.Viol_average_violations_only 0.0334 _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 7 LEU 0.000 0.000 . 0 "[ ]" 1 8 HIS 0.055 0.025 1 0 "[ ]" 1 9 LYS 0.030 0.018 1 0 "[ ]" 1 10 GLU 0.000 0.000 . 0 "[ ]" 1 11 PRO 0.000 0.000 . 0 "[ ]" 1 12 ALA 0.000 0.000 . 0 "[ ]" 1 13 THR 0.000 0.000 . 0 "[ ]" 1 14 LEU 0.000 0.000 . 0 "[ ]" 1 15 ILE 0.002 0.002 1 0 "[ ]" 1 16 LYS 0.000 0.000 . 0 "[ ]" 1 17 ALA 0.000 0.000 . 0 "[ ]" 1 18 ILE 0.000 0.000 . 0 "[ ]" 1 19 ASP 0.000 0.000 . 0 "[ ]" 1 20 GLY 0.000 0.000 . 0 "[ ]" 1 21 ASP 0.000 0.000 . 0 "[ ]" 1 22 THR 0.003 0.003 1 0 "[ ]" 1 23 VAL 0.000 0.000 . 0 "[ ]" 1 24 LYS 0.000 0.000 . 0 "[ ]" 1 25 LEU 0.002 0.002 1 0 "[ ]" 1 26 MET 0.000 0.000 . 0 "[ ]" 1 27 TYR 0.047 0.026 1 0 "[ ]" 1 28 LYS 0.000 0.000 . 0 "[ ]" 1 29 GLY 0.000 0.000 . 0 "[ ]" 1 30 GLN 0.057 0.031 1 0 "[ ]" 1 31 PRO 0.000 0.000 . 0 "[ ]" 1 32 MET 0.014 0.014 1 0 "[ ]" 1 33 THR 0.010 0.010 1 0 "[ ]" 1 34 PHE 0.036 0.021 1 0 "[ ]" 1 35 ARG 0.000 0.000 . 0 "[ ]" 1 36 LEU 0.004 0.003 1 0 "[ ]" 1 37 LEU 0.001 0.001 1 0 "[ ]" 1 38 LEU 0.000 0.000 . 0 "[ ]" 1 39 VAL 0.000 0.000 . 0 "[ ]" 1 40 ASP 0.000 0.000 . 0 "[ ]" 1 41 THR 0.000 0.000 . 0 "[ ]" 1 42 PRO 0.000 0.000 . 0 "[ ]" 1 43 GLU 0.000 0.000 . 0 "[ ]" 1 44 THR 0.000 0.000 . 0 "[ ]" 1 45 LYS 0.000 0.000 . 0 "[ ]" 1 46 HIS 0.122 0.122 1 0 "[ ]" 1 47 PRO 0.122 0.122 1 0 "[ ]" 1 48 LYS 0.000 0.000 . 0 "[ ]" 1 49 LYS 0.000 0.000 . 0 "[ ]" 1 50 GLY 0.000 0.000 . 0 "[ ]" 1 51 VAL 0.000 0.000 . 0 "[ ]" 1 52 GLU 0.000 0.000 . 0 "[ ]" 1 53 LYS 0.022 0.022 1 0 "[ ]" 1 54 TYR 0.022 0.022 1 0 "[ ]" 1 55 GLY 0.000 0.000 . 0 "[ ]" 1 56 PRO 0.000 0.000 . 0 "[ ]" 1 57 GLU 0.000 0.000 . 0 "[ ]" 1 58 ALA 0.000 0.000 . 0 "[ ]" 1 59 SER 0.000 0.000 . 0 "[ ]" 1 60 ALA 0.000 0.000 . 0 "[ ]" 1 61 PHE 0.021 0.015 1 0 "[ ]" 1 62 THR 0.000 0.000 . 0 "[ ]" 1 63 LYS 0.017 0.017 1 0 "[ ]" 1 64 LYS 0.000 0.000 . 0 "[ ]" 1 65 MET 0.020 0.015 1 0 "[ ]" 1 66 VAL 0.005 0.005 1 0 "[ ]" 1 67 GLU 0.014 0.014 1 0 "[ ]" 1 68 ASN 0.016 0.014 1 0 "[ ]" 1 69 ALA 0.000 0.000 . 0 "[ ]" 1 70 LYS 0.000 0.000 . 0 "[ ]" 1 71 LYS 0.000 0.000 . 0 "[ ]" 1 72 ILE 0.000 0.000 . 0 "[ ]" 1 73 GLU 0.000 0.000 . 0 "[ ]" 1 74 VAL 0.000 0.000 . 0 "[ ]" 1 75 GLU 0.000 0.000 . 0 "[ ]" 1 76 PHE 0.000 0.000 . 0 "[ ]" 1 77 ASP 0.002 0.002 1 0 "[ ]" 1 78 LYS 0.001 0.001 1 0 "[ ]" 1 79 GLY 0.000 0.000 . 0 "[ ]" 1 80 GLN 0.000 0.000 . 0 "[ ]" 1 81 ARG 0.000 0.000 . 0 "[ ]" 1 82 THR 0.000 0.000 . 0 "[ ]" 1 83 ASP 0.000 0.000 . 0 "[ ]" 1 84 LYS 0.000 0.000 . 0 "[ ]" 1 85 TYR 0.000 0.000 . 0 "[ ]" 1 86 GLY 0.000 0.000 . 0 "[ ]" 1 87 ARG 0.010 0.010 1 0 "[ ]" 1 88 GLY 0.000 0.000 . 0 "[ ]" 1 89 LEU 0.000 0.000 . 0 "[ ]" 1 90 ALA 0.001 0.001 1 0 "[ ]" 1 91 TYR 0.008 0.008 1 0 "[ ]" 1 92 ILE 0.040 0.021 1 0 "[ ]" 1 93 TYR 0.008 0.008 1 0 "[ ]" 1 94 ALA 0.000 0.000 . 0 "[ ]" 1 95 ASP 0.000 0.000 . 0 "[ ]" 1 96 GLY 0.000 0.000 . 0 "[ ]" 1 97 LYS 0.017 0.017 1 0 "[ ]" 1 98 MET 0.000 0.000 . 0 "[ ]" 1 99 VAL 0.000 0.000 . 0 "[ ]" 1 100 ASN 0.021 0.021 1 0 "[ ]" 1 101 GLU 0.000 0.000 . 0 "[ ]" 1 102 ALA 0.063 0.063 1 0 "[ ]" 1 103 LEU 0.069 0.063 1 0 "[ ]" 1 104 VAL 0.000 0.000 . 0 "[ ]" 1 105 ARG 0.000 0.000 . 0 "[ ]" 1 106 GLN 0.000 0.000 . 0 "[ ]" 1 107 GLY 0.004 0.004 1 0 "[ ]" 1 108 LEU 0.000 0.000 . 0 "[ ]" 1 109 ALA 0.000 0.000 . 0 "[ ]" 1 110 LYS 0.000 0.000 . 0 "[ ]" 1 111 VAL 0.000 0.000 . 0 "[ ]" 1 112 ALA 0.000 0.000 . 0 "[ ]" 1 113 TYR 0.555 0.418 1 0 "[ ]" 1 114 VAL 0.012 0.012 1 0 "[ ]" 1 115 TYR 0.555 0.418 1 0 "[ ]" 1 116 LYS 0.000 0.000 . 0 "[ ]" 1 117 PRO 0.000 0.000 . 0 "[ ]" 1 118 ASN 0.013 0.011 1 0 "[ ]" 1 119 ASN 0.028 0.016 1 0 "[ ]" 1 120 THR 0.066 0.064 1 0 "[ ]" 1 121 HIS 0.064 0.064 1 0 "[ ]" 1 122 GLU 0.000 0.000 . 0 "[ ]" 1 123 GLN 0.000 0.000 . 0 "[ ]" 1 124 LEU 0.000 0.000 . 0 "[ ]" 1 125 LEU 0.000 0.000 . 0 "[ ]" 1 126 ARG 0.000 0.000 . 0 "[ ]" 1 127 LYS 0.000 0.000 . 0 "[ ]" 1 128 SER 0.000 0.000 . 0 "[ ]" 1 129 GLU 0.000 0.000 . 0 "[ ]" 1 130 ALA 0.000 0.000 . 0 "[ ]" 1 131 GLN 0.000 0.000 . 0 "[ ]" 1 132 ALA 0.015 0.015 1 0 "[ ]" 1 133 LYS 0.015 0.015 1 0 "[ ]" 1 134 LYS 0.000 0.000 . 0 "[ ]" 1 135 GLU 0.049 0.049 1 0 "[ ]" 1 136 LYS 0.042 0.042 1 0 "[ ]" 1 137 LEU 0.091 0.049 1 0 "[ ]" 1 138 ASN 0.000 0.000 . 0 "[ ]" 1 139 ILE 0.061 0.061 1 0 "[ ]" 1 140 TRP 0.004 0.004 1 0 "[ ]" 1 141 SER 0.006 0.006 1 0 "[ ]" 1 142 GLU 0.006 0.006 1 0 "[ ]" 1 143 ASP 0.001 0.001 1 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 8 HIS H 1 8 HIS HB2 3.800 . 5.300 2.428 2.428 2.428 . 0 0 "[ ]" 1 2 1 8 HIS H 1 8 HIS HB3 3.300 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1 3 1 8 HIS H 1 75 GLU HA 5.500 . 6.500 5.810 5.810 5.810 . 0 0 "[ ]" 1 4 1 8 HIS H 1 75 GLU HG3 4.000 . 5.300 3.979 3.979 3.979 . 0 0 "[ ]" 1 5 1 7 LEU MD1 1 8 HIS H 5.400 . 6.500 4.797 4.797 4.797 . 0 0 "[ ]" 1 6 1 7 LEU HG 1 8 HIS H 5.200 . 5.300 4.404 4.404 4.404 . 0 0 "[ ]" 1 7 1 7 LEU QB 1 8 HIS H 3.500 . 5.300 3.124 3.124 3.124 . 0 0 "[ ]" 1 8 1 7 LEU HA 1 8 HIS H 3.800 . 5.300 2.240 2.240 2.240 . 0 0 "[ ]" 1 9 1 8 HIS HA 1 8 HIS HB3 2.800 . 3.500 2.731 2.731 2.731 . 0 0 "[ ]" 1 10 1 8 HIS HA 1 8 HIS HB2 2.800 . 3.500 2.956 2.956 2.956 . 0 0 "[ ]" 1 11 1 8 HIS HB2 1 8 HIS HD2 3.500 . 5.300 3.996 3.996 3.996 . 0 0 "[ ]" 1 12 1 8 HIS HA 1 9 LYS H 2.500 . 2.700 2.718 2.718 2.718 0.018 1 0 "[ ]" 1 13 1 8 HIS HB2 1 9 LYS H 3.200 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1 14 1 8 HIS HB3 1 9 LYS H 3.900 . 5.300 1.964 1.964 1.964 . 0 0 "[ ]" 1 15 1 9 LYS H 1 9 LYS HG2 3.500 . 5.300 3.397 3.397 3.397 . 0 0 "[ ]" 1 16 1 9 LYS H 1 9 LYS HG3 3.000 . 3.500 2.934 2.934 2.934 . 0 0 "[ ]" 1 17 1 9 LYS H 1 9 LYS HB3 3.500 . 5.300 3.915 3.915 3.915 . 0 0 "[ ]" 1 18 1 9 LYS H 1 9 LYS HB2 2.700 . 3.500 2.904 2.904 2.904 . 0 0 "[ ]" 1 19 1 9 LYS HA 1 9 LYS HB3 2.500 . 2.700 2.383 2.383 2.383 . 0 0 "[ ]" 1 20 1 9 LYS HA 1 10 GLU H 2.800 . 3.500 2.214 2.214 2.214 . 0 0 "[ ]" 1 21 1 10 GLU H 1 10 GLU HB3 3.900 . 5.300 3.643 3.643 3.643 . 0 0 "[ ]" 1 22 1 10 GLU H 1 10 GLU HB2 3.700 . 5.300 2.388 2.388 2.388 . 0 0 "[ ]" 1 23 1 10 GLU H 1 10 GLU HG2 3.100 . 3.500 2.761 2.761 2.761 . 0 0 "[ ]" 1 24 1 9 LYS QE 1 10 GLU H 5.500 . 6.500 5.786 5.786 5.786 . 0 0 "[ ]" 1 25 1 9 LYS HB3 1 10 GLU H 3.000 . 3.500 3.263 3.263 3.263 . 0 0 "[ ]" 1 26 1 9 LYS HB2 1 10 GLU H 4.100 . 5.300 3.995 3.995 3.995 . 0 0 "[ ]" 1 27 1 10 GLU H 1 74 VAL MG2 5.500 . 6.500 3.044 3.044 3.044 . 0 0 "[ ]" 1 28 1 10 GLU H 1 75 GLU HB2 4.400 . 5.300 4.639 4.639 4.639 . 0 0 "[ ]" 1 29 1 9 LYS QG 1 10 GLU H 5.100 . 5.300 4.372 4.372 4.372 . 0 0 "[ ]" 1 30 1 10 GLU H 1 74 VAL HB 5.000 . 5.300 5.194 5.194 5.194 . 0 0 "[ ]" 1 31 1 10 GLU H 1 74 VAL H 3.500 . 5.300 3.204 3.204 3.204 . 0 0 "[ ]" 1 32 1 10 GLU HA 1 10 GLU HB3 2.700 . 3.500 2.546 2.546 2.546 . 0 0 "[ ]" 1 33 1 10 GLU HA 1 11 PRO QD 3.000 . 3.500 1.920 1.920 1.920 . 0 0 "[ ]" 1 34 1 11 PRO HA 1 11 PRO HB3 2.800 . 3.500 2.310 2.310 2.310 . 0 0 "[ ]" 1 35 1 11 PRO HA 1 73 GLU HB3 4.000 . 5.300 4.255 4.255 4.255 . 0 0 "[ ]" 1 36 1 11 PRO HA 1 12 ALA H 2.500 . 2.700 2.243 2.243 2.243 . 0 0 "[ ]" 1 37 1 12 ALA H 1 73 GLU HA 3.500 . 5.300 3.174 3.174 3.174 . 0 0 "[ ]" 1 38 1 11 PRO QG 1 12 ALA H 5.100 . 5.300 4.694 4.694 4.694 . 0 0 "[ ]" 1 39 1 11 PRO HB2 1 12 ALA H 3.200 . 3.500 3.427 3.427 3.427 . 0 0 "[ ]" 1 40 1 11 PRO HB3 1 12 ALA H 3.600 . 5.300 3.982 3.982 3.982 . 0 0 "[ ]" 1 41 1 12 ALA H 1 72 ILE MG 5.600 . 6.500 4.249 4.249 4.249 . 0 0 "[ ]" 1 42 1 12 ALA H 1 74 VAL H 5.000 . 5.300 4.603 4.603 4.603 . 0 0 "[ ]" 1 43 1 12 ALA HA 1 27 TYR HA 4.500 . 5.300 3.471 3.471 3.471 . 0 0 "[ ]" 1 44 1 13 THR H 1 13 THR HB 3.000 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1 45 1 13 THR H 1 26 MET HB2 3.800 . 5.300 4.535 4.535 4.535 . 0 0 "[ ]" 1 46 1 13 THR H 1 26 MET HB3 3.500 . 5.300 2.849 2.849 2.849 . 0 0 "[ ]" 1 47 1 12 ALA HA 1 13 THR H 2.500 . 2.700 2.424 2.424 2.424 . 0 0 "[ ]" 1 48 1 12 ALA MB 1 13 THR H 3.800 . 5.300 2.591 2.591 2.591 . 0 0 "[ ]" 1 49 1 13 THR H 1 25 LEU HB2 3.500 . 5.300 4.834 4.834 4.834 . 0 0 "[ ]" 1 50 1 13 THR H 1 26 MET H 3.100 . 3.500 3.134 3.134 3.134 . 0 0 "[ ]" 1 51 1 13 THR H 1 13 THR MG 4.400 . 5.300 3.900 3.900 3.900 . 0 0 "[ ]" 1 52 1 13 THR H 1 72 ILE HB 5.000 . 5.300 5.196 5.196 5.196 . 0 0 "[ ]" 1 53 1 13 THR HA 1 14 LEU HB2 5.000 . 5.300 4.618 4.618 4.618 . 0 0 "[ ]" 1 54 1 13 THR HA 1 72 ILE MD 5.000 . 5.300 3.105 3.105 3.105 . 0 0 "[ ]" 1 55 1 13 THR HB 1 26 MET HB3 2.700 . 3.500 2.301 2.301 2.301 . 0 0 "[ ]" 1 56 1 13 THR HB 1 26 MET HB2 4.000 . 5.300 3.591 3.591 3.591 . 0 0 "[ ]" 1 57 1 14 LEU H 1 14 LEU MD1 4.600 . 5.300 4.191 4.191 4.191 . 0 0 "[ ]" 1 58 1 14 LEU H 1 72 ILE MD 4.400 . 5.300 3.194 3.194 3.194 . 0 0 "[ ]" 1 59 1 14 LEU H 1 14 LEU HB3 2.500 . 2.700 2.440 2.440 2.440 . 0 0 "[ ]" 1 60 1 14 LEU H 1 14 LEU HB2 2.800 . 3.500 2.852 2.852 2.852 . 0 0 "[ ]" 1 61 1 14 LEU H 1 14 LEU HA 2.900 . 3.500 2.955 2.955 2.955 . 0 0 "[ ]" 1 62 1 14 LEU H 1 14 LEU HG 4.000 . 5.300 4.338 4.338 4.338 . 0 0 "[ ]" 1 63 1 13 THR HB 1 14 LEU H 4.500 . 5.300 3.124 3.124 3.124 . 0 0 "[ ]" 1 64 1 13 THR HA 1 14 LEU H 2.500 . 2.700 2.491 2.491 2.491 . 0 0 "[ ]" 1 65 1 13 THR H 1 14 LEU H 4.500 . 5.300 4.518 4.518 4.518 . 0 0 "[ ]" 1 66 1 14 LEU H 1 15 ILE H 5.000 . 5.300 4.594 4.594 4.594 . 0 0 "[ ]" 1 67 1 14 LEU HA 1 25 LEU MD2 4.000 . 5.300 2.426 2.426 2.426 . 0 0 "[ ]" 1 68 1 14 LEU HA 1 14 LEU MD1 4.000 . 5.300 2.178 2.178 2.178 . 0 0 "[ ]" 1 69 1 14 LEU HA 1 14 LEU HG 4.100 . 5.300 3.006 3.006 3.006 . 0 0 "[ ]" 1 70 1 15 ILE H 1 16 LYS H 2.700 . 3.500 2.448 2.448 2.448 . 0 0 "[ ]" 1 71 1 15 ILE H 1 25 LEU HA 2.900 . 3.500 2.421 2.421 2.421 . 0 0 "[ ]" 1 72 1 14 LEU HA 1 15 ILE H 2.700 . 3.500 2.241 2.241 2.241 . 0 0 "[ ]" 1 73 1 15 ILE H 1 15 ILE HB 3.100 . 3.500 2.535 2.535 2.535 . 0 0 "[ ]" 1 74 1 15 ILE H 1 15 ILE HG13 3.100 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1 75 1 15 ILE H 1 15 ILE HG12 4.300 . 5.300 3.898 3.898 3.898 . 0 0 "[ ]" 1 76 1 15 ILE H 1 15 ILE MD 5.200 . 5.300 4.148 4.148 4.148 . 0 0 "[ ]" 1 77 1 14 LEU HB2 1 15 ILE H 4.500 . 5.300 4.100 4.100 4.100 . 0 0 "[ ]" 1 78 1 14 LEU MD1 1 15 ILE H 4.300 . 5.300 2.165 2.165 2.165 . 0 0 "[ ]" 1 79 1 15 ILE H 1 24 LYS HB3 4.500 . 5.300 4.073 4.073 4.073 . 0 0 "[ ]" 1 80 1 15 ILE H 1 25 LEU HB2 5.000 . 5.300 5.302 5.302 5.302 0.002 1 0 "[ ]" 1 81 1 16 LYS H 1 24 LYS HB3 2.700 . 3.500 2.211 2.211 2.211 . 0 0 "[ ]" 1 82 1 15 ILE HA 1 16 LYS H 4.000 . 5.300 3.583 3.583 3.583 . 0 0 "[ ]" 1 83 1 16 LYS H 1 16 LYS HB3 2.800 . 3.500 3.483 3.483 3.483 . 0 0 "[ ]" 1 84 1 15 ILE HB 1 16 LYS H 2.500 . 2.700 2.117 2.117 2.117 . 0 0 "[ ]" 1 85 1 15 ILE HG13 1 16 LYS H 4.000 . 5.300 4.189 4.189 4.189 . 0 0 "[ ]" 1 86 1 14 LEU MD1 1 16 LYS H 4.500 . 5.300 3.085 3.085 3.085 . 0 0 "[ ]" 1 87 1 16 LYS H 1 16 LYS HB2 3.500 . 5.300 4.046 4.046 4.046 . 0 0 "[ ]" 1 88 1 16 LYS H 1 25 LEU HA 4.500 . 5.300 3.895 3.895 3.895 . 0 0 "[ ]" 1 89 1 16 LYS H 1 24 LYS H 3.300 . 3.500 3.491 3.491 3.491 . 0 0 "[ ]" 1 90 1 15 ILE MG 1 16 LYS H 4.000 . 5.300 2.832 2.832 2.832 . 0 0 "[ ]" 1 91 1 14 LEU HA 1 16 LYS H 3.500 . 5.300 4.618 4.618 4.618 . 0 0 "[ ]" 1 92 1 16 LYS HA 1 16 LYS HB2 3.000 . 3.500 2.455 2.455 2.455 . 0 0 "[ ]" 1 93 1 17 ALA H 1 17 ALA HA 3.000 . 3.500 2.936 2.936 2.936 . 0 0 "[ ]" 1 94 1 16 LYS H 1 17 ALA H 4.000 . 5.300 3.837 3.837 3.837 . 0 0 "[ ]" 1 95 1 17 ALA H 1 18 ILE H 4.300 . 5.300 4.645 4.645 4.645 . 0 0 "[ ]" 1 96 1 16 LYS HB3 1 17 ALA H 3.500 . 5.300 4.450 4.450 4.450 . 0 0 "[ ]" 1 97 1 14 LEU HG 1 17 ALA H 4.500 . 5.300 4.505 4.505 4.505 . 0 0 "[ ]" 1 98 1 17 ALA H 1 66 VAL MG2 5.900 . 6.500 4.206 4.206 4.206 . 0 0 "[ ]" 1 99 1 16 LYS QD 1 17 ALA H 5.600 . 6.500 5.709 5.709 5.709 . 0 0 "[ ]" 1 100 1 14 LEU MD1 1 17 ALA H 4.900 . 5.300 3.492 3.492 3.492 . 0 0 "[ ]" 1 101 1 14 LEU MD2 1 17 ALA H 5.100 . 5.300 3.874 3.874 3.874 . 0 0 "[ ]" 1 102 1 17 ALA HA 1 18 ILE H 3.000 . 3.500 2.336 2.336 2.336 . 0 0 "[ ]" 1 103 1 18 ILE H 1 22 THR HB 4.700 . 5.300 3.803 3.803 3.803 . 0 0 "[ ]" 1 104 1 18 ILE H 1 23 VAL HA 4.500 . 5.300 2.548 2.548 2.548 . 0 0 "[ ]" 1 105 1 18 ILE H 1 18 ILE HA 3.000 . 3.500 2.993 2.993 2.993 . 0 0 "[ ]" 1 106 1 18 ILE H 1 23 VAL MG1 4.100 . 5.300 3.192 3.192 3.192 . 0 0 "[ ]" 1 107 1 18 ILE H 1 22 THR MG 5.400 . 6.500 4.383 4.383 4.383 . 0 0 "[ ]" 1 108 1 18 ILE H 1 18 ILE HB 2.800 . 3.500 2.565 2.565 2.565 . 0 0 "[ ]" 1 109 1 17 ALA MB 1 18 ILE H 4.500 . 5.300 2.800 2.800 2.800 . 0 0 "[ ]" 1 110 1 18 ILE H 1 18 ILE HG12 4.600 . 5.300 4.217 4.217 4.217 . 0 0 "[ ]" 1 111 1 18 ILE H 1 18 ILE HG13 2.700 . 3.500 3.004 3.004 3.004 . 0 0 "[ ]" 1 112 1 18 ILE H 1 19 ASP HA 4.500 . 5.300 4.708 4.708 4.708 . 0 0 "[ ]" 1 113 1 18 ILE H 1 19 ASP H 2.900 . 3.500 2.342 2.342 2.342 . 0 0 "[ ]" 1 114 1 18 ILE H 1 24 LYS H 4.000 . 5.300 3.834 3.834 3.834 . 0 0 "[ ]" 1 115 1 18 ILE HA 1 18 ILE HB 3.000 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1 116 1 18 ILE HA 1 18 ILE HG13 3.100 . 3.500 2.775 2.775 2.775 . 0 0 "[ ]" 1 117 1 18 ILE HA 1 18 ILE HG12 2.300 . 2.700 2.576 2.576 2.576 . 0 0 "[ ]" 1 118 1 19 ASP H 1 22 THR H 3.200 . 3.500 3.202 3.202 3.202 . 0 0 "[ ]" 1 119 1 19 ASP H 1 22 THR HB 3.500 . 5.300 2.393 2.393 2.393 . 0 0 "[ ]" 1 120 1 19 ASP H 1 19 ASP HB2 3.500 . 5.300 2.419 2.419 2.419 . 0 0 "[ ]" 1 121 1 18 ILE HA 1 19 ASP H 3.800 . 5.300 3.588 3.588 3.588 . 0 0 "[ ]" 1 122 1 18 ILE MG 1 19 ASP H 5.100 . 5.300 2.901 2.901 2.901 . 0 0 "[ ]" 1 123 1 18 ILE HG13 1 19 ASP H 5.000 . 5.300 4.294 4.294 4.294 . 0 0 "[ ]" 1 124 1 17 ALA MB 1 19 ASP H 5.000 . 5.300 4.283 4.283 4.283 . 0 0 "[ ]" 1 125 1 18 ILE HB 1 19 ASP H 2.800 . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 1 126 1 19 ASP H 1 23 VAL MG1 5.400 . 6.500 3.845 3.845 3.845 . 0 0 "[ ]" 1 127 1 19 ASP H 1 22 THR MG 5.500 . 6.500 3.910 3.910 3.910 . 0 0 "[ ]" 1 128 1 19 ASP HA 1 19 ASP HB3 2.800 . 3.500 2.692 2.692 2.692 . 0 0 "[ ]" 1 129 1 20 GLY H 1 20 GLY HA3 3.000 . 3.500 2.368 2.368 2.368 . 0 0 "[ ]" 1 130 1 20 GLY H 1 59 SER HA 4.500 . 5.300 3.885 3.885 3.885 . 0 0 "[ ]" 1 131 1 20 GLY H 1 58 ALA MB 6.000 . 6.500 3.926 3.926 3.926 . 0 0 "[ ]" 1 132 1 20 GLY H 1 21 ASP H 3.300 . 3.500 2.417 2.417 2.417 . 0 0 "[ ]" 1 133 1 19 ASP HB2 1 20 GLY H 3.500 . 5.300 3.409 3.409 3.409 . 0 0 "[ ]" 1 134 1 19 ASP HB3 1 20 GLY H 2.800 . 3.500 1.872 1.872 1.872 . 0 0 "[ ]" 1 135 1 19 ASP HA 1 20 GLY H 3.800 . 5.300 2.756 2.756 2.756 . 0 0 "[ ]" 1 136 1 20 GLY HA2 1 41 THR MG 5.600 . 6.500 3.592 3.592 3.592 . 0 0 "[ ]" 1 137 1 20 GLY H 1 44 THR MG 5.900 . 6.500 5.296 5.296 5.296 . 0 0 "[ ]" 1 138 1 20 GLY HA3 1 103 LEU MD1 6.000 . 6.500 3.896 3.896 3.896 . 0 0 "[ ]" 1 139 1 21 ASP H 1 22 THR H 2.600 . 3.500 1.983 1.983 1.983 . 0 0 "[ ]" 1 140 1 20 GLY HA2 1 21 ASP H 3.900 . 5.300 3.464 3.464 3.464 . 0 0 "[ ]" 1 141 1 20 GLY HA3 1 21 ASP H 3.400 . 3.500 3.081 3.081 3.081 . 0 0 "[ ]" 1 142 1 21 ASP H 1 21 ASP QB 3.700 . 5.300 2.369 2.369 2.369 . 0 0 "[ ]" 1 143 1 21 ASP HA 1 36 LEU MD1 4.300 . 5.300 2.441 2.441 2.441 . 0 0 "[ ]" 1 144 1 22 THR H 1 23 VAL MG1 4.900 . 5.300 3.567 3.567 3.567 . 0 0 "[ ]" 1 145 1 22 THR H 1 22 THR HB 3.100 . 3.500 2.809 2.809 2.809 . 0 0 "[ ]" 1 146 1 18 ILE HB 1 22 THR H 4.200 . 5.300 4.783 4.783 4.783 . 0 0 "[ ]" 1 147 1 21 ASP HA 1 22 THR H 3.400 . 3.500 3.465 3.465 3.465 . 0 0 "[ ]" 1 148 1 21 ASP QB 1 22 THR H 5.700 . 6.500 2.994 2.994 2.994 . 0 0 "[ ]" 1 149 1 18 ILE H 1 22 THR H 4.800 . 5.300 4.877 4.877 4.877 . 0 0 "[ ]" 1 150 1 20 GLY H 1 22 THR H 4.500 . 5.300 3.724 3.724 3.724 . 0 0 "[ ]" 1 151 1 22 THR H 1 23 VAL H 4.100 . 5.300 4.352 4.352 4.352 . 0 0 "[ ]" 1 152 1 22 THR H 1 62 THR MG 5.500 . 6.500 4.812 4.812 4.812 . 0 0 "[ ]" 1 153 1 22 THR HA 1 22 THR HB 3.000 . 3.500 3.006 3.006 3.006 . 0 0 "[ ]" 1 154 1 22 THR HA 1 35 ARG HA 2.700 . 3.500 2.967 2.967 2.967 . 0 0 "[ ]" 1 155 1 22 THR HA 1 36 LEU HB2 5.500 . 6.500 6.503 6.503 6.503 0.003 1 0 "[ ]" 1 156 1 22 THR HA 1 23 VAL MG2 5.000 . 5.300 3.693 3.693 3.693 . 0 0 "[ ]" 1 157 1 22 THR HA 1 33 THR MG 5.900 . 6.500 3.612 3.612 3.612 . 0 0 "[ ]" 1 158 1 22 THR HA 1 23 VAL H 2.500 . 2.700 2.196 2.196 2.196 . 0 0 "[ ]" 1 159 1 22 THR MG 1 23 VAL H 4.800 . 5.300 2.965 2.965 2.965 . 0 0 "[ ]" 1 160 1 23 VAL H 1 23 VAL MG2 4.200 . 5.300 2.125 2.125 2.125 . 0 0 "[ ]" 1 161 1 23 VAL H 1 23 VAL MG1 4.200 . 5.300 2.905 2.905 2.905 . 0 0 "[ ]" 1 162 1 23 VAL H 1 33 THR MG 5.000 . 5.300 3.374 3.374 3.374 . 0 0 "[ ]" 1 163 1 19 ASP H 1 23 VAL H 5.100 . 5.300 5.128 5.128 5.128 . 0 0 "[ ]" 1 164 1 18 ILE H 1 23 VAL H 4.600 . 5.300 4.838 4.838 4.838 . 0 0 "[ ]" 1 165 1 18 ILE HB 1 23 VAL HA 3.500 . 5.300 4.226 4.226 4.226 . 0 0 "[ ]" 1 166 1 17 ALA MB 1 23 VAL HA 4.600 . 5.300 2.989 2.989 2.989 . 0 0 "[ ]" 1 167 1 23 VAL HA 1 23 VAL HB 2.700 . 3.500 2.477 2.477 2.477 . 0 0 "[ ]" 1 168 1 17 ALA HA 1 24 LYS H 4.000 . 5.300 2.251 2.251 2.251 . 0 0 "[ ]" 1 169 1 23 VAL HA 1 24 LYS H 3.500 . 5.300 2.207 2.207 2.207 . 0 0 "[ ]" 1 170 1 15 ILE H 1 24 LYS H 3.600 . 5.300 4.968 4.968 4.968 . 0 0 "[ ]" 1 171 1 15 ILE MG 1 24 LYS H 6.000 . 6.500 5.179 5.179 5.179 . 0 0 "[ ]" 1 172 1 23 VAL H 1 24 LYS H 4.000 . 5.300 4.309 4.309 4.309 . 0 0 "[ ]" 1 173 1 23 VAL HB 1 24 LYS H 2.800 . 3.500 3.267 3.267 3.267 . 0 0 "[ ]" 1 174 1 24 LYS H 1 24 LYS HB3 2.800 . 3.500 2.929 2.929 2.929 . 0 0 "[ ]" 1 175 1 24 LYS H 1 24 LYS QG 4.600 . 5.300 4.035 4.035 4.035 . 0 0 "[ ]" 1 176 1 24 LYS H 1 24 LYS HB2 3.000 . 3.500 2.388 2.388 2.388 . 0 0 "[ ]" 1 177 1 18 ILE HG13 1 24 LYS H 5.000 . 5.300 4.192 4.192 4.192 . 0 0 "[ ]" 1 178 1 14 LEU MD1 1 24 LYS H 5.300 . 6.500 4.205 4.205 4.205 . 0 0 "[ ]" 1 179 1 22 THR MG 1 24 LYS H 6.000 . 6.500 4.919 4.919 4.919 . 0 0 "[ ]" 1 180 1 23 VAL MG2 1 24 LYS H 4.300 . 5.300 3.926 3.926 3.926 . 0 0 "[ ]" 1 181 1 23 VAL MG1 1 24 LYS H 4.700 . 5.300 4.018 4.018 4.018 . 0 0 "[ ]" 1 182 1 24 LYS HA 1 24 LYS HB2 3.000 . 3.500 2.700 2.700 2.700 . 0 0 "[ ]" 1 183 1 15 ILE HB 1 24 LYS HA 4.000 . 5.300 4.286 4.286 4.286 . 0 0 "[ ]" 1 184 1 24 LYS HA 1 33 THR HA 5.000 . 5.300 2.173 2.173 2.173 . 0 0 "[ ]" 1 185 1 25 LEU H 1 31 PRO HA 3.700 . 5.300 4.828 4.828 4.828 . 0 0 "[ ]" 1 186 1 24 LYS HA 1 25 LEU H 2.700 . 3.500 2.206 2.206 2.206 . 0 0 "[ ]" 1 187 1 25 LEU H 1 34 PHE HD1 3.600 . 5.300 2.438 2.438 2.438 . 0 0 "[ ]" 1 188 1 24 LYS HB2 1 25 LEU H 4.800 . 5.300 4.465 4.465 4.465 . 0 0 "[ ]" 1 189 1 25 LEU H 1 25 LEU HB2 3.300 . 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 1 190 1 25 LEU H 1 25 LEU HB3 4.000 . 5.300 3.904 3.904 3.904 . 0 0 "[ ]" 1 191 1 25 LEU H 1 25 LEU MD1 5.500 . 6.500 3.951 3.951 3.951 . 0 0 "[ ]" 1 192 1 25 LEU H 1 25 LEU MD2 5.000 . 5.300 3.294 3.294 3.294 . 0 0 "[ ]" 1 193 1 24 LYS QG 1 25 LEU H 3.900 . 5.300 2.750 2.750 2.750 . 0 0 "[ ]" 1 194 1 23 VAL MG2 1 25 LEU H 5.700 . 6.500 4.481 4.481 4.481 . 0 0 "[ ]" 1 195 1 24 LYS HB3 1 25 LEU H 3.800 . 5.300 3.864 3.864 3.864 . 0 0 "[ ]" 1 196 1 25 LEU H 1 32 MET H 3.200 . 3.500 3.472 3.472 3.472 . 0 0 "[ ]" 1 197 1 25 LEU H 1 25 LEU HG 3.100 . 3.500 2.419 2.419 2.419 . 0 0 "[ ]" 1 198 1 14 LEU HA 1 25 LEU HA 2.900 . 3.500 2.892 2.892 2.892 . 0 0 "[ ]" 1 199 1 12 ALA MB 1 25 LEU HA 6.000 . 6.500 4.960 4.960 4.960 . 0 0 "[ ]" 1 200 1 25 LEU HA 1 25 LEU HB3 2.700 . 3.500 2.325 2.325 2.325 . 0 0 "[ ]" 1 201 1 25 LEU HA 1 25 LEU HG 2.900 . 3.500 3.343 3.343 3.343 . 0 0 "[ ]" 1 202 1 25 LEU HA 1 25 LEU MD1 4.400 . 5.300 3.904 3.904 3.904 . 0 0 "[ ]" 1 203 1 25 LEU HA 1 25 LEU MD2 3.700 . 5.300 2.039 2.039 2.039 . 0 0 "[ ]" 1 204 1 14 LEU MD1 1 25 LEU HA 5.000 . 5.300 3.571 3.571 3.571 . 0 0 "[ ]" 1 205 1 12 ALA MB 1 25 LEU MD1 5.300 . 6.500 3.310 3.310 3.310 . 0 0 "[ ]" 1 206 1 25 LEU MD1 1 92 ILE HG13 5.000 . 5.300 3.487 3.487 3.487 . 0 0 "[ ]" 1 207 1 25 LEU MD1 1 92 ILE MD 5.400 . 6.500 2.264 2.264 2.264 . 0 0 "[ ]" 1 208 1 25 LEU MD1 1 92 ILE MG 6.000 . 6.500 2.619 2.619 2.619 . 0 0 "[ ]" 1 209 1 25 LEU MD1 1 74 VAL MG2 6.000 . 6.500 4.221 4.221 4.221 . 0 0 "[ ]" 1 210 1 15 ILE H 1 26 MET H 4.000 . 5.300 3.891 3.891 3.891 . 0 0 "[ ]" 1 211 1 25 LEU HA 1 26 MET H 2.900 . 3.500 2.320 2.320 2.320 . 0 0 "[ ]" 1 212 1 14 LEU HA 1 26 MET H 4.200 . 5.300 3.678 3.678 3.678 . 0 0 "[ ]" 1 213 1 26 MET H 1 26 MET HB3 3.200 . 3.500 2.367 2.367 2.367 . 0 0 "[ ]" 1 214 1 13 THR MG 1 26 MET H 5.300 . 6.500 4.741 4.741 4.741 . 0 0 "[ ]" 1 215 1 25 LEU MD2 1 26 MET H 5.500 . 6.500 3.880 3.880 3.880 . 0 0 "[ ]" 1 216 1 25 LEU HG 1 26 MET H 5.000 . 5.300 5.106 5.106 5.106 . 0 0 "[ ]" 1 217 1 26 MET H 1 26 MET HB2 3.300 . 3.500 2.881 2.881 2.881 . 0 0 "[ ]" 1 218 1 25 LEU HB2 1 26 MET H 3.600 . 5.300 3.533 3.533 3.533 . 0 0 "[ ]" 1 219 1 15 ILE HB 1 26 MET H 4.000 . 5.300 4.113 4.113 4.113 . 0 0 "[ ]" 1 220 1 15 ILE HG12 1 26 MET H 4.100 . 5.300 3.386 3.386 3.386 . 0 0 "[ ]" 1 221 1 15 ILE MD 1 26 MET H 5.800 . 6.500 2.878 2.878 2.878 . 0 0 "[ ]" 1 222 1 26 MET HA 1 26 MET ME 4.600 . 5.300 2.516 2.516 2.516 . 0 0 "[ ]" 1 223 1 26 MET HA 1 26 MET HB2 2.700 . 3.500 2.406 2.406 2.406 . 0 0 "[ ]" 1 224 1 26 MET HA 1 26 MET HB3 2.800 . 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 1 225 1 26 MET HA 1 26 MET HG3 3.400 . 3.500 2.509 2.509 2.509 . 0 0 "[ ]" 1 226 1 15 ILE MD 1 26 MET HA 4.800 . 5.300 1.848 1.848 1.848 . 0 0 "[ ]" 1 227 1 27 TYR H 1 30 GLN H 3.200 . 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 1 228 1 27 TYR H 1 29 GLY H 4.000 . 5.300 4.236 4.236 4.236 . 0 0 "[ ]" 1 229 1 27 TYR H 1 27 TYR QD 4.700 . 5.300 4.352 4.352 4.352 . 0 0 "[ ]" 1 230 1 26 MET HA 1 27 TYR H 2.500 . 2.700 2.207 2.207 2.207 . 0 0 "[ ]" 1 231 1 27 TYR H 1 27 TYR HB2 3.300 . 3.500 3.158 3.158 3.158 . 0 0 "[ ]" 1 232 1 27 TYR H 1 27 TYR HB3 3.000 . 3.500 2.708 2.708 2.708 . 0 0 "[ ]" 1 233 1 27 TYR H 1 30 GLN HB3 5.500 . 6.500 5.751 5.751 5.751 . 0 0 "[ ]" 1 234 1 27 TYR H 1 30 GLN HB2 5.000 . 5.300 5.326 5.326 5.326 0.026 1 0 "[ ]" 1 235 1 26 MET HB2 1 27 TYR H 4.400 . 5.300 4.398 4.398 4.398 . 0 0 "[ ]" 1 236 1 12 ALA MB 1 27 TYR H 6.000 . 6.500 4.693 4.693 4.693 . 0 0 "[ ]" 1 237 1 26 MET H 1 27 TYR H 4.800 . 5.300 4.365 4.365 4.365 . 0 0 "[ ]" 1 238 1 15 ILE MD 1 27 TYR H 5.500 . 6.500 3.642 3.642 3.642 . 0 0 "[ ]" 1 239 1 26 MET HA 1 27 TYR HA 3.600 . 5.300 4.450 4.450 4.450 . 0 0 "[ ]" 1 240 1 27 TYR HA 1 27 TYR HB2 2.700 . 3.500 2.476 2.476 2.476 . 0 0 "[ ]" 1 241 1 12 ALA MB 1 27 TYR HA 3.600 . 5.300 3.198 3.198 3.198 . 0 0 "[ ]" 1 242 1 10 GLU HB2 1 27 TYR QE 2.700 . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1 243 1 27 TYR QE 1 28 LYS HB3 5.500 . 6.500 5.276 5.276 5.276 . 0 0 "[ ]" 1 244 1 27 TYR QE 1 76 PHE HD2 6.000 . 6.500 3.847 3.847 3.847 . 0 0 "[ ]" 1 245 1 27 TYR QE 1 74 VAL MG2 4.300 . 5.300 3.301 3.301 3.301 . 0 0 "[ ]" 1 246 1 27 TYR QE 1 74 VAL HB 5.300 . 6.500 5.519 5.519 5.519 . 0 0 "[ ]" 1 247 1 10 GLU HB3 1 27 TYR QE 4.500 . 5.300 1.885 1.885 1.885 . 0 0 "[ ]" 1 248 1 27 TYR QE 1 28 LYS H 4.500 . 5.300 3.577 3.577 3.577 . 0 0 "[ ]" 1 249 1 27 TYR QD 1 74 VAL MG1 5.700 . 6.500 4.593 4.593 4.593 . 0 0 "[ ]" 1 250 1 27 TYR QD 1 74 VAL MG2 4.900 . 5.300 3.215 3.215 3.215 . 0 0 "[ ]" 1 251 1 27 TYR HB2 1 27 TYR QD 2.800 . 3.500 2.713 2.713 2.713 . 0 0 "[ ]" 1 252 1 27 TYR HB3 1 27 TYR QD 2.900 . 3.500 2.310 2.310 2.310 . 0 0 "[ ]" 1 253 1 27 TYR HA 1 27 TYR QD 2.800 . 3.500 2.065 2.065 2.065 . 0 0 "[ ]" 1 254 1 27 TYR QD 1 28 LYS H 3.400 . 3.500 2.538 2.538 2.538 . 0 0 "[ ]" 1 255 1 12 ALA MB 1 27 TYR QD 4.600 . 5.300 2.860 2.860 2.860 . 0 0 "[ ]" 1 256 1 27 TYR QD 1 32 MET HB2 4.100 . 5.300 4.238 4.238 4.238 . 0 0 "[ ]" 1 257 1 27 TYR QD 1 30 GLN QG 4.800 . 5.300 4.507 4.507 4.507 . 0 0 "[ ]" 1 258 1 27 TYR QD 1 34 PHE HZ 3.500 . 5.300 2.792 2.792 2.792 . 0 0 "[ ]" 1 259 1 27 TYR HB2 1 28 LYS H 4.000 . 5.300 4.106 4.106 4.106 . 0 0 "[ ]" 1 260 1 28 LYS H 1 29 GLY H 2.900 . 3.500 2.706 2.706 2.706 . 0 0 "[ ]" 1 261 1 27 TYR H 1 28 LYS H 4.000 . 5.300 4.444 4.444 4.444 . 0 0 "[ ]" 1 262 1 28 LYS H 1 30 GLN H 3.900 . 5.300 4.427 4.427 4.427 . 0 0 "[ ]" 1 263 1 27 TYR HA 1 28 LYS H 2.400 . 2.700 2.271 2.271 2.271 . 0 0 "[ ]" 1 264 1 28 LYS H 1 28 LYS HA 2.400 . 2.700 2.343 2.343 2.343 . 0 0 "[ ]" 1 265 1 28 LYS H 1 28 LYS HB3 3.900 . 5.300 4.110 4.110 4.110 . 0 0 "[ ]" 1 266 1 28 LYS H 1 28 LYS HB2 3.300 . 3.500 3.480 3.480 3.480 . 0 0 "[ ]" 1 267 1 28 LYS H 1 28 LYS HG3 3.300 . 3.500 3.408 3.408 3.408 . 0 0 "[ ]" 1 268 1 28 LYS H 1 28 LYS QD 4.600 . 5.300 4.670 4.670 4.670 . 0 0 "[ ]" 1 269 1 27 TYR HB3 1 28 LYS H 4.100 . 5.300 3.964 3.964 3.964 . 0 0 "[ ]" 1 270 1 28 LYS HA 1 28 LYS HB3 2.400 . 2.700 2.530 2.530 2.530 . 0 0 "[ ]" 1 271 1 28 LYS HA 1 28 LYS HB2 2.900 . 3.500 3.029 3.029 3.029 . 0 0 "[ ]" 1 272 1 28 LYS HA 1 28 LYS QD 4.600 . 5.300 3.417 3.417 3.417 . 0 0 "[ ]" 1 273 1 28 LYS HA 1 28 LYS HG3 3.000 . 3.500 3.403 3.403 3.403 . 0 0 "[ ]" 1 274 1 28 LYS HB2 1 28 LYS HG3 2.900 . 3.500 2.279 2.279 2.279 . 0 0 "[ ]" 1 275 1 29 GLY H 1 29 GLY HA2 2.300 . 2.700 2.349 2.349 2.349 . 0 0 "[ ]" 1 276 1 28 LYS HA 1 29 GLY H 2.700 . 3.500 3.012 3.012 3.012 . 0 0 "[ ]" 1 277 1 29 GLY H 1 29 GLY HA3 2.700 . 3.500 2.872 2.872 2.872 . 0 0 "[ ]" 1 278 1 27 TYR HA 1 29 GLY H 4.100 . 5.300 3.420 3.420 3.420 . 0 0 "[ ]" 1 279 1 29 GLY H 1 30 GLN H 3.000 . 3.500 2.659 2.659 2.659 . 0 0 "[ ]" 1 280 1 28 LYS HB3 1 29 GLY H 4.100 . 5.300 4.423 4.423 4.423 . 0 0 "[ ]" 1 281 1 26 MET HG2 1 29 GLY H 4.600 . 5.300 4.005 4.005 4.005 . 0 0 "[ ]" 1 282 1 28 LYS QG 1 29 GLY H 4.900 . 5.300 4.470 4.470 4.470 . 0 0 "[ ]" 1 283 1 28 LYS HB2 1 29 GLY H 4.500 . 5.300 4.044 4.044 4.044 . 0 0 "[ ]" 1 284 1 28 LYS HG3 1 29 GLY H 5.000 . 5.300 5.275 5.275 5.275 . 0 0 "[ ]" 1 285 1 26 MET HA 1 30 GLN H 3.900 . 5.300 3.852 3.852 3.852 . 0 0 "[ ]" 1 286 1 30 GLN H 1 30 GLN HB3 3.400 . 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 1 287 1 30 GLN H 1 30 GLN HB2 3.800 . 5.300 3.949 3.949 3.949 . 0 0 "[ ]" 1 288 1 30 GLN H 1 30 GLN QG 3.400 . 3.500 2.412 2.412 2.412 . 0 0 "[ ]" 1 289 1 29 GLY HA2 1 30 GLN H 2.900 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1 290 1 29 GLY HA3 1 30 GLN H 3.800 . 5.300 3.551 3.551 3.551 . 0 0 "[ ]" 1 291 1 28 LYS HB3 1 30 GLN H 4.500 . 5.300 4.908 4.908 4.908 . 0 0 "[ ]" 1 292 1 28 LYS HB2 1 30 GLN H 4.500 . 5.300 3.982 3.982 3.982 . 0 0 "[ ]" 1 293 1 27 TYR HB3 1 30 GLN H 4.500 . 5.300 4.775 4.775 4.775 . 0 0 "[ ]" 1 294 1 30 GLN HA 1 30 GLN HB2 2.500 . 2.700 2.528 2.528 2.528 . 0 0 "[ ]" 1 295 1 30 GLN HA 1 30 GLN HB3 2.800 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1 296 1 31 PRO HA 1 31 PRO HB3 2.500 . 2.700 2.311 2.311 2.311 . 0 0 "[ ]" 1 297 1 30 GLN HA 1 31 PRO HD2 2.700 . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 1 298 1 27 TYR H 1 32 MET H 4.200 . 5.300 3.413 3.413 3.413 . 0 0 "[ ]" 1 299 1 15 ILE MD 1 32 MET H 4.500 . 5.300 2.930 2.930 2.930 . 0 0 "[ ]" 1 300 1 31 PRO HA 1 32 MET H 2.500 . 2.700 2.249 2.249 2.249 . 0 0 "[ ]" 1 301 1 31 PRO HB2 1 32 MET H 3.600 . 5.300 3.941 3.941 3.941 . 0 0 "[ ]" 1 302 1 32 MET H 1 32 MET HB2 2.800 . 3.500 2.510 2.510 2.510 . 0 0 "[ ]" 1 303 1 32 MET H 1 32 MET HB3 3.500 . 5.300 3.588 3.588 3.588 . 0 0 "[ ]" 1 304 1 32 MET HA 1 32 MET HB3 2.800 . 3.500 2.718 2.718 2.718 . 0 0 "[ ]" 1 305 1 32 MET HA 1 32 MET HG3 3.600 . 5.300 2.722 2.722 2.722 . 0 0 "[ ]" 1 306 1 32 MET HA 1 33 THR H 3.300 . 3.500 2.238 2.238 2.238 . 0 0 "[ ]" 1 307 1 32 MET H 1 33 THR H 4.500 . 5.300 4.419 4.419 4.419 . 0 0 "[ ]" 1 308 1 32 MET HG3 1 33 THR H 4.300 . 5.300 4.663 4.663 4.663 . 0 0 "[ ]" 1 309 1 32 MET HB2 1 33 THR H 4.000 . 5.300 4.333 4.333 4.333 . 0 0 "[ ]" 1 310 1 32 MET HB3 1 33 THR H 2.800 . 3.500 3.216 3.216 3.216 . 0 0 "[ ]" 1 311 1 33 THR H 1 33 THR HB 2.800 . 3.500 3.019 3.019 3.019 . 0 0 "[ ]" 1 312 1 33 THR H 1 87 ARG HB3 5.500 . 6.500 6.510 6.510 6.510 0.010 1 0 "[ ]" 1 313 1 32 MET ME 1 33 THR H 5.700 . 6.500 3.645 3.645 3.645 . 0 0 "[ ]" 1 314 1 32 MET QG 1 33 THR H 4.500 . 5.300 3.408 3.408 3.408 . 0 0 "[ ]" 1 315 1 34 PHE H 1 34 PHE HA 3.000 . 3.500 2.977 2.977 2.977 . 0 0 "[ ]" 1 316 1 22 THR HA 1 34 PHE H 4.500 . 5.300 4.144 4.144 4.144 . 0 0 "[ ]" 1 317 1 24 LYS HA 1 34 PHE H 3.900 . 5.300 3.335 3.335 3.335 . 0 0 "[ ]" 1 318 1 34 PHE H 1 34 PHE HD1 3.000 . 3.500 3.224 3.224 3.224 . 0 0 "[ ]" 1 319 1 23 VAL H 1 34 PHE H 3.500 . 5.300 2.759 2.759 2.759 . 0 0 "[ ]" 1 320 1 34 PHE H 1 34 PHE HB3 3.600 . 5.300 3.771 3.771 3.771 . 0 0 "[ ]" 1 321 1 34 PHE H 1 34 PHE HB2 3.000 . 3.500 2.656 2.656 2.656 . 0 0 "[ ]" 1 322 1 23 VAL MG2 1 34 PHE H 4.800 . 5.300 3.197 3.197 3.197 . 0 0 "[ ]" 1 323 1 33 THR MG 1 34 PHE H 4.700 . 5.300 2.450 2.450 2.450 . 0 0 "[ ]" 1 324 1 22 THR MG 1 34 PHE H 5.500 . 6.500 3.693 3.693 3.693 . 0 0 "[ ]" 1 325 1 24 LYS HG3 1 34 PHE H 5.000 . 5.300 4.789 4.789 4.789 . 0 0 "[ ]" 1 326 1 34 PHE HA 1 34 PHE HB3 2.800 . 3.500 2.608 2.608 2.608 . 0 0 "[ ]" 1 327 1 34 PHE HE2 1 74 VAL MG1 4.700 . 5.300 3.160 3.160 3.160 . 0 0 "[ ]" 1 328 1 34 PHE HE2 1 74 VAL MG2 5.400 . 6.500 3.456 3.456 3.456 . 0 0 "[ ]" 1 329 1 34 PHE HE2 1 74 VAL HB 3.500 . 5.300 3.139 3.139 3.139 . 0 0 "[ ]" 1 330 1 25 LEU MD1 1 34 PHE HE1 4.500 . 5.300 3.974 3.974 3.974 . 0 0 "[ ]" 1 331 1 34 PHE HE2 1 90 ALA MB 3.900 . 5.300 3.154 3.154 3.154 . 0 0 "[ ]" 1 332 1 34 PHE HE2 1 92 ILE MD 5.800 . 6.500 4.214 4.214 4.214 . 0 0 "[ ]" 1 333 1 25 LEU HB2 1 34 PHE HE1 2.700 . 3.500 2.844 2.844 2.844 . 0 0 "[ ]" 1 334 1 25 LEU HB2 1 34 PHE HD1 2.700 . 3.500 3.172 3.172 3.172 . 0 0 "[ ]" 1 335 1 32 MET HB3 1 34 PHE HE1 3.500 . 5.300 2.958 2.958 2.958 . 0 0 "[ ]" 1 336 1 32 MET HB2 1 34 PHE HE1 2.600 . 2.700 2.714 2.714 2.714 0.014 1 0 "[ ]" 1 337 1 34 PHE HE2 1 88 GLY H 5.300 . 6.500 6.116 6.116 6.116 . 0 0 "[ ]" 1 338 1 34 PHE HA 1 34 PHE QD 3.500 . 5.300 2.960 2.960 2.960 . 0 0 "[ ]" 1 339 1 34 PHE HD2 1 88 GLY HA3 3.500 . 5.300 3.445 3.445 3.445 . 0 0 "[ ]" 1 340 1 34 PHE HD2 1 88 GLY H 5.000 . 5.300 5.020 5.020 5.020 . 0 0 "[ ]" 1 341 1 32 MET ME 1 34 PHE HD1 5.700 . 6.500 5.079 5.079 5.079 . 0 0 "[ ]" 1 342 1 32 MET HB2 1 34 PHE HD1 5.000 . 5.300 4.593 4.593 4.593 . 0 0 "[ ]" 1 343 1 32 MET HB3 1 34 PHE HD1 4.000 . 5.300 4.086 4.086 4.086 . 0 0 "[ ]" 1 344 1 34 PHE HB2 1 34 PHE QD 2.900 . 3.500 2.460 2.460 2.460 . 0 0 "[ ]" 1 345 1 34 PHE HB3 1 34 PHE QD 2.700 . 3.500 2.372 2.372 2.372 . 0 0 "[ ]" 1 346 1 34 PHE HD2 1 92 ILE HG12 5.000 . 5.300 5.211 5.211 5.211 . 0 0 "[ ]" 1 347 1 34 PHE HD2 1 92 ILE MD 4.600 . 5.300 2.772 2.772 2.772 . 0 0 "[ ]" 1 348 1 25 LEU MD1 1 34 PHE HD1 4.500 . 5.300 3.057 3.057 3.057 . 0 0 "[ ]" 1 349 1 34 PHE HD2 1 90 ALA MB 3.900 . 5.300 2.714 2.714 2.714 . 0 0 "[ ]" 1 350 1 25 LEU HG 1 34 PHE HD1 2.700 . 3.500 2.298 2.298 2.298 . 0 0 "[ ]" 1 351 1 25 LEU HB3 1 34 PHE HD1 4.000 . 5.300 4.596 4.596 4.596 . 0 0 "[ ]" 1 352 1 25 LEU HB3 1 34 PHE HE1 4.000 . 5.300 4.589 4.589 4.589 . 0 0 "[ ]" 1 353 1 34 PHE HD2 1 76 PHE HE1 4.500 . 5.300 4.459 4.459 4.459 . 0 0 "[ ]" 1 354 1 34 PHE HZ 1 74 VAL MG1 5.500 . 6.500 3.719 3.719 3.719 . 0 0 "[ ]" 1 355 1 34 PHE HZ 1 74 VAL MG2 5.600 . 6.500 3.569 3.569 3.569 . 0 0 "[ ]" 1 356 1 27 TYR HB3 1 34 PHE HZ 4.000 . 5.300 2.610 2.610 2.610 . 0 0 "[ ]" 1 357 1 27 TYR HB2 1 34 PHE HZ 3.600 . 5.300 2.581 2.581 2.581 . 0 0 "[ ]" 1 358 1 34 PHE HZ 1 90 ALA MB 6.000 . 6.500 5.242 5.242 5.242 . 0 0 "[ ]" 1 359 1 34 PHE HZ 1 76 PHE HZ 3.200 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1 360 1 27 TYR HA 1 34 PHE HE1 5.000 . 5.300 5.321 5.321 5.321 0.021 1 0 "[ ]" 1 361 1 27 TYR HB2 1 34 PHE HE1 3.500 . 5.300 3.170 3.170 3.170 . 0 0 "[ ]" 1 362 1 34 PHE HD2 1 74 VAL MG1 5.500 . 6.500 3.546 3.546 3.546 . 0 0 "[ ]" 1 363 1 35 ARG H 1 35 ARG HB2 3.300 . 3.500 2.649 2.649 2.649 . 0 0 "[ ]" 1 364 1 34 PHE HB3 1 35 ARG H 4.200 . 5.300 3.583 3.583 3.583 . 0 0 "[ ]" 1 365 1 34 PHE HA 1 35 ARG H 3.000 . 3.500 2.185 2.185 2.185 . 0 0 "[ ]" 1 366 1 34 PHE QD 1 35 ARG H 4.300 . 5.300 4.181 4.181 4.181 . 0 0 "[ ]" 1 367 1 35 ARG H 1 89 LEU HA 4.000 . 5.300 3.648 3.648 3.648 . 0 0 "[ ]" 1 368 1 35 ARG H 1 90 ALA H 3.500 . 5.300 4.043 4.043 4.043 . 0 0 "[ ]" 1 369 1 35 ARG H 1 35 ARG QG 4.600 . 5.300 4.052 4.052 4.052 . 0 0 "[ ]" 1 370 1 35 ARG HA 1 35 ARG HB2 2.600 . 2.700 2.606 2.606 2.606 . 0 0 "[ ]" 1 371 1 35 ARG HA 1 35 ARG HB3 2.800 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1 372 1 33 THR MG 1 35 ARG H 5.700 . 6.500 4.973 4.973 4.973 . 0 0 "[ ]" 1 373 1 35 ARG HA 1 36 LEU H 2.700 . 3.500 2.194 2.194 2.194 . 0 0 "[ ]" 1 374 1 36 LEU H 1 36 LEU HA 2.700 . 3.500 2.775 2.775 2.775 . 0 0 "[ ]" 1 375 1 36 LEU H 1 36 LEU HG 2.500 . 2.700 1.944 1.944 1.944 . 0 0 "[ ]" 1 376 1 36 LEU H 1 36 LEU HB3 3.500 . 5.300 3.622 3.622 3.622 . 0 0 "[ ]" 1 377 1 36 LEU H 1 36 LEU HB2 2.600 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1 378 1 21 ASP HA 1 36 LEU H 4.100 . 5.300 3.097 3.097 3.097 . 0 0 "[ ]" 1 379 1 22 THR HA 1 36 LEU H 4.000 . 5.300 4.295 4.295 4.295 . 0 0 "[ ]" 1 380 1 35 ARG HB2 1 36 LEU H 4.100 . 5.300 4.528 4.528 4.528 . 0 0 "[ ]" 1 381 1 36 LEU HA 1 36 LEU HB3 2.700 . 3.500 2.444 2.444 2.444 . 0 0 "[ ]" 1 382 1 36 LEU HA 1 36 LEU HG 3.400 . 3.500 3.255 3.255 3.255 . 0 0 "[ ]" 1 383 1 36 LEU HA 1 37 LEU H 2.900 . 3.500 2.189 2.189 2.189 . 0 0 "[ ]" 1 384 1 37 LEU H 1 37 LEU HA 3.000 . 3.500 2.925 2.925 2.925 . 0 0 "[ ]" 1 385 1 37 LEU H 1 37 LEU HG 3.500 . 5.300 3.709 3.709 3.709 . 0 0 "[ ]" 1 386 1 37 LEU H 1 37 LEU MD2 5.200 . 5.300 4.268 4.268 4.268 . 0 0 "[ ]" 1 387 1 37 LEU H 1 37 LEU MD1 4.700 . 5.300 4.048 4.048 4.048 . 0 0 "[ ]" 1 388 1 37 LEU H 1 37 LEU HB3 4.000 . 5.300 3.261 3.261 3.261 . 0 0 "[ ]" 1 389 1 37 LEU H 1 37 LEU HB2 2.700 . 3.500 2.130 2.130 2.130 . 0 0 "[ ]" 1 390 1 36 LEU MD2 1 37 LEU H 4.200 . 5.300 3.624 3.624 3.624 . 0 0 "[ ]" 1 391 1 36 LEU MD1 1 37 LEU H 6.000 . 6.500 5.063 5.063 5.063 . 0 0 "[ ]" 1 392 1 36 LEU HB3 1 37 LEU H 4.900 . 5.300 3.481 3.481 3.481 . 0 0 "[ ]" 1 393 1 36 LEU HG 1 37 LEU H 5.300 . 6.500 5.287 5.287 5.287 . 0 0 "[ ]" 1 394 1 37 LEU H 1 90 ALA H 3.000 . 3.500 3.501 3.501 3.501 0.001 1 0 "[ ]" 1 395 1 37 LEU H 1 91 TYR HE1 5.300 . 6.500 4.541 4.541 4.541 . 0 0 "[ ]" 1 396 1 37 LEU H 1 38 LEU H 4.800 . 5.300 4.640 4.640 4.640 . 0 0 "[ ]" 1 397 1 37 LEU H 1 100 ASN HD22 3.600 . 5.300 2.342 2.342 2.342 . 0 0 "[ ]" 1 398 1 37 LEU H 1 100 ASN HD21 3.500 . 5.300 3.018 3.018 3.018 . 0 0 "[ ]" 1 399 1 37 LEU HA 1 37 LEU HG 3.000 . 3.500 2.301 2.301 2.301 . 0 0 "[ ]" 1 400 1 37 LEU HA 1 37 LEU MD2 4.000 . 5.300 2.273 2.273 2.273 . 0 0 "[ ]" 1 401 1 37 LEU HA 1 37 LEU HB3 2.800 . 3.500 2.852 2.852 2.852 . 0 0 "[ ]" 1 402 1 38 LEU H 1 38 LEU HA 2.500 . 2.700 2.345 2.345 2.345 . 0 0 "[ ]" 1 403 1 37 LEU HA 1 38 LEU H 2.400 . 2.700 2.272 2.272 2.272 . 0 0 "[ ]" 1 404 1 38 LEU H 1 38 LEU HB2 3.900 . 5.300 3.644 3.644 3.644 . 0 0 "[ ]" 1 405 1 37 LEU HG 1 38 LEU H 4.600 . 5.300 3.928 3.928 3.928 . 0 0 "[ ]" 1 406 1 38 LEU H 1 38 LEU HG 3.500 . 5.300 2.892 2.892 2.892 . 0 0 "[ ]" 1 407 1 38 LEU H 1 38 LEU MD1 5.500 . 6.500 4.317 4.317 4.317 . 0 0 "[ ]" 1 408 1 37 LEU MD1 1 38 LEU H 5.200 . 6.500 4.424 4.424 4.424 . 0 0 "[ ]" 1 409 1 37 LEU MD2 1 38 LEU H 4.600 . 5.300 2.089 2.089 2.089 . 0 0 "[ ]" 1 410 1 37 LEU HB3 1 38 LEU H 3.000 . 3.500 3.253 3.253 3.253 . 0 0 "[ ]" 1 411 1 37 LEU HB2 1 38 LEU H 3.700 . 5.300 4.312 4.312 4.312 . 0 0 "[ ]" 1 412 1 38 LEU HA 1 125 LEU MD1 6.000 . 6.500 4.031 4.031 4.031 . 0 0 "[ ]" 1 413 1 39 VAL H 1 39 VAL MG2 3.900 . 5.300 2.503 2.503 2.503 . 0 0 "[ ]" 1 414 1 39 VAL H 1 39 VAL MG1 4.200 . 5.300 3.964 3.964 3.964 . 0 0 "[ ]" 1 415 1 38 LEU HA 1 39 VAL H 3.400 . 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 1 416 1 37 LEU HA 1 39 VAL H 3.700 . 5.300 3.495 3.495 3.495 . 0 0 "[ ]" 1 417 1 39 VAL H 1 112 ALA MB 4.900 . 5.300 2.189 2.189 2.189 . 0 0 "[ ]" 1 418 1 38 LEU HB2 1 39 VAL H 3.700 . 5.300 4.083 4.083 4.083 . 0 0 "[ ]" 1 419 1 39 VAL H 1 40 ASP H 3.900 . 5.300 4.451 4.451 4.451 . 0 0 "[ ]" 1 420 1 38 LEU H 1 39 VAL H 3.000 . 3.500 2.722 2.722 2.722 . 0 0 "[ ]" 1 421 1 37 LEU HB3 1 39 VAL H 5.000 . 5.300 5.092 5.092 5.092 . 0 0 "[ ]" 1 422 1 38 LEU MD2 1 39 VAL H 5.600 . 6.500 4.214 4.214 4.214 . 0 0 "[ ]" 1 423 1 39 VAL HA 1 111 VAL HA 3.500 . 5.300 2.789 2.789 2.789 . 0 0 "[ ]" 1 424 1 39 VAL HA 1 111 VAL H 5.100 . 5.300 5.086 5.086 5.086 . 0 0 "[ ]" 1 425 1 39 VAL HA 1 39 VAL HB 3.000 . 3.500 2.987 2.987 2.987 . 0 0 "[ ]" 1 426 1 38 LEU HB2 1 39 VAL HA 5.000 . 5.300 4.764 4.764 4.764 . 0 0 "[ ]" 1 427 1 39 VAL HA 1 112 ALA MB 5.200 . 5.300 3.138 3.138 3.138 . 0 0 "[ ]" 1 428 1 39 VAL HA 1 109 ALA MB 5.400 . 6.500 3.995 3.995 3.995 . 0 0 "[ ]" 1 429 1 39 VAL HA 1 111 VAL MG1 5.300 . 6.500 4.063 4.063 4.063 . 0 0 "[ ]" 1 430 1 39 VAL HA 1 111 VAL MG2 5.500 . 6.500 4.455 4.455 4.455 . 0 0 "[ ]" 1 431 1 39 VAL HA 1 40 ASP H 2.600 . 2.700 2.322 2.322 2.322 . 0 0 "[ ]" 1 432 1 40 ASP H 1 112 ALA H 3.800 . 5.300 3.759 3.759 3.759 . 0 0 "[ ]" 1 433 1 40 ASP H 1 40 ASP HB2 3.400 . 3.500 2.676 2.676 2.676 . 0 0 "[ ]" 1 434 1 40 ASP H 1 40 ASP HB3 3.500 . 5.300 3.613 3.613 3.613 . 0 0 "[ ]" 1 435 1 39 VAL MG2 1 40 ASP H 4.800 . 5.300 4.203 4.203 4.203 . 0 0 "[ ]" 1 436 1 39 VAL MG1 1 40 ASP H 4.800 . 5.300 2.413 2.413 2.413 . 0 0 "[ ]" 1 437 1 39 VAL HB 1 40 ASP H 2.700 . 3.500 3.493 3.493 3.493 . 0 0 "[ ]" 1 438 1 40 ASP HA 1 40 ASP HB2 3.000 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1 439 1 40 ASP H 1 112 ALA MB 4.600 . 5.300 3.771 3.771 3.771 . 0 0 "[ ]" 1 440 1 40 ASP H 1 109 ALA MB 4.800 . 5.300 2.942 2.942 2.942 . 0 0 "[ ]" 1 441 1 40 ASP HA 1 41 THR H 3.200 . 3.500 2.208 2.208 2.208 . 0 0 "[ ]" 1 442 1 41 THR HA 1 109 ALA HA 3.300 . 3.500 3.117 3.117 3.117 . 0 0 "[ ]" 1 443 1 41 THR HA 1 41 THR HB 2.600 . 2.700 2.677 2.677 2.677 . 0 0 "[ ]" 1 444 1 41 THR HA 1 109 ALA MB 5.500 . 6.500 3.005 3.005 3.005 . 0 0 "[ ]" 1 445 1 41 THR HA 1 103 LEU HB3 5.800 . 6.500 6.071 6.071 6.071 . 0 0 "[ ]" 1 446 1 41 THR HB 1 58 ALA MB 4.300 . 5.300 3.636 3.636 3.636 . 0 0 "[ ]" 1 447 1 41 THR HA 1 42 PRO HD3 5.600 . 6.500 2.042 2.042 2.042 . 0 0 "[ ]" 1 448 1 41 THR HA 1 42 PRO HD2 5.500 . 6.500 2.424 2.424 2.424 . 0 0 "[ ]" 1 449 1 43 GLU H 1 43 GLU QG 4.300 . 5.300 3.658 3.658 3.658 . 0 0 "[ ]" 1 450 1 44 THR H 1 44 THR HB 3.500 . 5.300 3.798 3.798 3.798 . 0 0 "[ ]" 1 451 1 44 THR H 1 45 LYS H 3.500 . 5.300 2.323 2.323 2.323 . 0 0 "[ ]" 1 452 1 43 GLU HB2 1 44 THR H 4.000 . 5.300 4.251 4.251 4.251 . 0 0 "[ ]" 1 453 1 43 GLU HB3 1 44 THR H 3.600 . 5.300 3.064 3.064 3.064 . 0 0 "[ ]" 1 454 1 43 GLU HA 1 44 THR H 3.000 . 3.500 2.281 2.281 2.281 . 0 0 "[ ]" 1 455 1 43 GLU QG 1 44 THR H 4.500 . 5.300 3.361 3.361 3.361 . 0 0 "[ ]" 1 456 1 44 THR H 1 45 LYS HA 5.000 . 5.300 4.742 4.742 4.742 . 0 0 "[ ]" 1 457 1 44 THR H 1 44 THR HA 3.000 . 3.500 2.993 2.993 2.993 . 0 0 "[ ]" 1 458 1 44 THR HA 1 44 THR HB 2.300 . 2.700 2.407 2.407 2.407 . 0 0 "[ ]" 1 459 1 46 HIS H 1 46 HIS HB3 3.800 . 5.300 3.368 3.368 3.368 . 0 0 "[ ]" 1 460 1 46 HIS H 1 46 HIS HB2 3.500 . 5.300 2.102 2.102 2.102 . 0 0 "[ ]" 1 461 1 45 LYS HA 1 46 HIS H 3.200 . 3.500 3.419 3.419 3.419 . 0 0 "[ ]" 1 462 1 46 HIS HA 1 46 HIS HB3 2.700 . 3.500 2.843 2.843 2.843 . 0 0 "[ ]" 1 463 1 46 HIS HA 1 46 HIS HB2 2.700 . 3.500 2.859 2.859 2.859 . 0 0 "[ ]" 1 464 1 46 HIS HB2 1 46 HIS HD2 3.100 . 3.500 2.828 2.828 2.828 . 0 0 "[ ]" 1 465 1 46 HIS HA 1 47 PRO HD3 3.000 . 3.500 3.622 3.622 3.622 0.122 1 0 "[ ]" 1 466 1 46 HIS H 1 47 PRO HD3 5.300 . 6.500 2.442 2.442 2.442 . 0 0 "[ ]" 1 467 1 48 LYS H 1 48 LYS HA 2.800 . 3.500 2.981 2.981 2.981 . 0 0 "[ ]" 1 468 1 48 LYS H 1 48 LYS QD 5.000 . 5.300 2.658 2.658 2.658 . 0 0 "[ ]" 1 469 1 48 LYS H 1 49 LYS H 3.000 . 3.500 2.118 2.118 2.118 . 0 0 "[ ]" 1 470 1 48 LYS H 1 50 GLY H 3.800 . 5.300 4.139 4.139 4.139 . 0 0 "[ ]" 1 471 1 49 LYS H 1 49 LYS HA 2.700 . 3.500 2.950 2.950 2.950 . 0 0 "[ ]" 1 472 1 48 LYS HA 1 49 LYS H 2.600 . 3.500 3.399 3.399 3.399 . 0 0 "[ ]" 1 473 1 50 GLY H 1 51 VAL H 4.000 . 5.300 4.103 4.103 4.103 . 0 0 "[ ]" 1 474 1 50 GLY H 1 50 GLY HA2 2.900 . 3.500 2.385 2.385 2.385 . 0 0 "[ ]" 1 475 1 48 LYS HA 1 50 GLY H 5.100 . 5.300 3.307 3.307 3.307 . 0 0 "[ ]" 1 476 1 49 LYS H 1 50 GLY H 2.900 . 3.500 2.717 2.717 2.717 . 0 0 "[ ]" 1 477 1 49 LYS HA 1 50 GLY H 3.100 . 3.500 3.114 3.114 3.114 . 0 0 "[ ]" 1 478 1 49 LYS QB 1 50 GLY H 4.900 . 5.300 3.635 3.635 3.635 . 0 0 "[ ]" 1 479 1 51 VAL H 1 51 VAL QG 3.800 . 5.300 2.286 2.286 2.286 . 0 0 "[ ]" 1 480 1 51 VAL H 1 51 VAL HA 2.700 . 3.500 2.911 2.911 2.911 . 0 0 "[ ]" 1 481 1 50 GLY HA2 1 51 VAL H 3.300 . 3.500 2.247 2.247 2.247 . 0 0 "[ ]" 1 482 1 51 VAL H 1 51 VAL HB 2.600 . 2.700 2.557 2.557 2.557 . 0 0 "[ ]" 1 483 1 51 VAL HA 1 51 VAL HB 3.000 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1 484 1 51 VAL H 1 52 GLU H 4.100 . 5.300 4.542 4.542 4.542 . 0 0 "[ ]" 1 485 1 51 VAL QG 1 52 GLU H 4.900 . 5.300 2.736 2.736 2.736 . 0 0 "[ ]" 1 486 1 52 GLU H 1 52 GLU HB2 2.700 . 3.500 2.613 2.613 2.613 . 0 0 "[ ]" 1 487 1 52 GLU H 1 52 GLU HB3 3.500 . 5.300 3.720 3.720 3.720 . 0 0 "[ ]" 1 488 1 51 VAL HA 1 52 GLU H 2.600 . 2.700 2.188 2.188 2.188 . 0 0 "[ ]" 1 489 1 52 GLU H 1 52 GLU HA 3.000 . 3.500 2.979 2.979 2.979 . 0 0 "[ ]" 1 490 1 52 GLU HA 1 53 LYS H 3.300 . 3.500 3.398 3.398 3.398 . 0 0 "[ ]" 1 491 1 53 LYS HA 1 54 TYR H 2.800 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1 492 1 54 TYR H 1 54 TYR QD 4.000 . 5.300 3.623 3.623 3.623 . 0 0 "[ ]" 1 493 1 54 TYR HE1 1 108 LEU MD2 5.700 . 6.500 4.860 4.860 4.860 . 0 0 "[ ]" 1 494 1 54 TYR HE2 1 139 ILE HA 3.200 . 3.500 2.314 2.314 2.314 . 0 0 "[ ]" 1 495 1 54 TYR HE1 1 138 ASN HB3 3.600 . 5.300 3.964 3.964 3.964 . 0 0 "[ ]" 1 496 1 54 TYR HE1 1 138 ASN HA 3.200 . 3.500 3.476 3.476 3.476 . 0 0 "[ ]" 1 497 1 53 LYS HB2 1 54 TYR HE2 5.600 . 6.500 5.757 5.757 5.757 . 0 0 "[ ]" 1 498 1 54 TYR HD2 1 139 ILE MD 6.000 . 6.500 4.851 4.851 4.851 . 0 0 "[ ]" 1 499 1 54 TYR HD2 1 139 ILE MG 5.400 . 6.500 2.133 2.133 2.133 . 0 0 "[ ]" 1 500 1 54 TYR HD2 1 139 ILE QG 4.300 . 5.300 4.079 4.079 4.079 . 0 0 "[ ]" 1 501 1 54 TYR HD1 1 108 LEU MD2 4.700 . 5.300 4.059 4.059 4.059 . 0 0 "[ ]" 1 502 1 54 TYR HA 1 54 TYR HD1 2.900 . 3.500 2.313 2.313 2.313 . 0 0 "[ ]" 1 503 1 54 TYR HB2 1 54 TYR QD 2.900 . 3.500 2.305 2.305 2.305 . 0 0 "[ ]" 1 504 1 55 GLY H 1 55 GLY HA3 3.000 . 3.500 2.374 2.374 2.374 . 0 0 "[ ]" 1 505 1 55 GLY H 1 55 GLY HA2 3.000 . 3.500 2.933 2.933 2.933 . 0 0 "[ ]" 1 506 1 44 THR MG 1 55 GLY H 5.900 . 6.500 4.376 4.376 4.376 . 0 0 "[ ]" 1 507 1 54 TYR H 1 55 GLY H 2.900 . 3.500 3.158 3.158 3.158 . 0 0 "[ ]" 1 508 1 51 VAL MG1 1 55 GLY H 5.300 . 6.500 2.102 2.102 2.102 . 0 0 "[ ]" 1 509 1 58 ALA H 1 59 SER H 2.900 . 3.500 2.580 2.580 2.580 . 0 0 "[ ]" 1 510 1 58 ALA H 1 60 ALA H 4.500 . 5.300 4.157 4.157 4.157 . 0 0 "[ ]" 1 511 1 58 ALA H 1 61 PHE H 5.000 . 5.300 4.786 4.786 4.786 . 0 0 "[ ]" 1 512 1 58 ALA H 1 108 LEU MD2 5.300 . 6.500 4.099 4.099 4.099 . 0 0 "[ ]" 1 513 1 57 GLU QG 1 58 ALA H 5.800 . 6.500 4.102 4.102 4.102 . 0 0 "[ ]" 1 514 1 58 ALA HA 1 61 PHE HB3 2.900 . 3.500 2.626 2.626 2.626 . 0 0 "[ ]" 1 515 1 58 ALA HA 1 108 LEU MD1 5.000 . 5.300 2.901 2.901 2.901 . 0 0 "[ ]" 1 516 1 59 SER H 1 59 SER HA 3.000 . 3.500 2.892 2.892 2.892 . 0 0 "[ ]" 1 517 1 58 ALA HA 1 59 SER H 3.900 . 5.300 3.521 3.521 3.521 . 0 0 "[ ]" 1 518 1 20 GLY HA2 1 59 SER H 4.100 . 5.300 4.701 4.701 4.701 . 0 0 "[ ]" 1 519 1 59 SER H 1 59 SER HB3 3.300 . 3.500 2.164 2.164 2.164 . 0 0 "[ ]" 1 520 1 58 ALA MB 1 59 SER H 4.400 . 5.300 2.806 2.806 2.806 . 0 0 "[ ]" 1 521 1 59 SER H 1 60 ALA H 3.000 . 3.500 2.564 2.564 2.564 . 0 0 "[ ]" 1 522 1 59 SER H 1 60 ALA MB 5.500 . 6.500 4.200 4.200 4.200 . 0 0 "[ ]" 1 523 1 59 SER H 1 61 PHE H 4.500 . 5.300 4.026 4.026 4.026 . 0 0 "[ ]" 1 524 1 56 PRO HA 1 59 SER H 6.000 . 6.500 3.866 3.866 3.866 . 0 0 "[ ]" 1 525 1 60 ALA H 1 60 ALA HA 3.000 . 3.500 2.897 2.897 2.897 . 0 0 "[ ]" 1 526 1 59 SER HA 1 60 ALA H 4.000 . 5.300 3.545 3.545 3.545 . 0 0 "[ ]" 1 527 1 59 SER HB3 1 60 ALA H 3.000 . 3.500 2.917 2.917 2.917 . 0 0 "[ ]" 1 528 1 60 ALA H 1 62 THR H 5.000 . 5.300 3.808 3.808 3.808 . 0 0 "[ ]" 1 529 1 60 ALA HA 1 63 LYS HB2 3.500 . 5.300 3.714 3.714 3.714 . 0 0 "[ ]" 1 530 1 61 PHE H 1 61 PHE HB2 2.700 . 3.500 2.802 2.802 2.802 . 0 0 "[ ]" 1 531 1 61 PHE H 1 61 PHE HB3 2.700 . 3.500 2.356 2.356 2.356 . 0 0 "[ ]" 1 532 1 61 PHE H 1 61 PHE HA 2.900 . 3.500 2.906 2.906 2.906 . 0 0 "[ ]" 1 533 1 58 ALA HA 1 61 PHE H 3.300 . 3.500 3.412 3.412 3.412 . 0 0 "[ ]" 1 534 1 61 PHE H 1 61 PHE QD 4.800 . 5.300 4.107 4.107 4.107 . 0 0 "[ ]" 1 535 1 61 PHE H 1 108 LEU MD1 5.400 . 6.500 4.706 4.706 4.706 . 0 0 "[ ]" 1 536 1 61 PHE H 1 103 LEU MD2 6.000 . 6.500 4.281 4.281 4.281 . 0 0 "[ ]" 1 537 1 60 ALA H 1 61 PHE H 2.700 . 3.500 2.542 2.542 2.542 . 0 0 "[ ]" 1 538 1 60 ALA MB 1 61 PHE H 4.000 . 5.300 2.708 2.708 2.708 . 0 0 "[ ]" 1 539 1 60 ALA HA 1 61 PHE H 3.600 . 5.300 3.542 3.542 3.542 . 0 0 "[ ]" 1 540 1 61 PHE HA 1 61 PHE HB2 2.600 . 2.700 2.400 2.400 2.400 . 0 0 "[ ]" 1 541 1 61 PHE HA 1 64 LYS QB 3.700 . 5.300 2.418 2.418 2.418 . 0 0 "[ ]" 1 542 1 61 PHE HD1 1 62 THR HB 5.000 . 5.300 4.947 4.947 4.947 . 0 0 "[ ]" 1 543 1 61 PHE HB2 1 61 PHE QD 2.800 . 3.500 2.390 2.390 2.390 . 0 0 "[ ]" 1 544 1 61 PHE HB3 1 61 PHE QD 2.700 . 3.500 2.436 2.436 2.436 . 0 0 "[ ]" 1 545 1 61 PHE HD1 1 62 THR HA 2.900 . 3.500 3.069 3.069 3.069 . 0 0 "[ ]" 1 546 1 61 PHE HD2 1 108 LEU MD1 4.500 . 5.300 4.323 4.323 4.323 . 0 0 "[ ]" 1 547 1 61 PHE HD1 1 103 LEU MD1 4.200 . 5.300 2.708 2.708 2.708 . 0 0 "[ ]" 1 548 1 61 PHE HD1 1 103 LEU HG 2.900 . 3.500 2.716 2.716 2.716 . 0 0 "[ ]" 1 549 1 61 PHE HD1 1 102 ALA MB 5.700 . 6.500 4.684 4.684 4.684 . 0 0 "[ ]" 1 550 1 61 PHE HD1 1 103 LEU HB3 5.000 . 5.300 5.110 5.110 5.110 . 0 0 "[ ]" 1 551 1 61 PHE HD1 1 103 LEU HB2 5.300 . 6.500 5.193 5.193 5.193 . 0 0 "[ ]" 1 552 1 61 PHE HA 1 61 PHE QD 3.500 . 5.300 3.001 3.001 3.001 . 0 0 "[ ]" 1 553 1 61 PHE HE2 1 108 LEU MD1 5.600 . 6.500 5.292 5.292 5.292 . 0 0 "[ ]" 1 554 1 61 PHE HE1 1 103 LEU MD1 5.000 . 5.300 2.856 2.856 2.856 . 0 0 "[ ]" 1 555 1 61 PHE HE1 1 103 LEU H 3.500 . 5.300 3.682 3.682 3.682 . 0 0 "[ ]" 1 556 1 61 PHE HE1 1 102 ALA MB 4.100 . 5.300 2.824 2.824 2.824 . 0 0 "[ ]" 1 557 1 61 PHE HE1 1 103 LEU HG 3.200 . 3.500 2.340 2.340 2.340 . 0 0 "[ ]" 1 558 1 61 PHE HE1 1 103 LEU HB3 4.100 . 5.300 5.306 5.306 5.306 0.006 1 0 "[ ]" 1 559 1 62 THR H 1 62 THR HA 2.800 . 3.500 2.921 2.921 2.921 . 0 0 "[ ]" 1 560 1 61 PHE HB2 1 62 THR H 3.500 . 5.300 4.216 4.216 4.216 . 0 0 "[ ]" 1 561 1 61 PHE HB3 1 62 THR H 2.900 . 3.500 3.069 3.069 3.069 . 0 0 "[ ]" 1 562 1 61 PHE HA 1 62 THR H 3.000 . 3.500 3.465 3.465 3.465 . 0 0 "[ ]" 1 563 1 62 THR H 1 62 THR HB 2.600 . 2.700 2.489 2.489 2.489 . 0 0 "[ ]" 1 564 1 61 PHE HD1 1 62 THR H 3.300 . 3.500 3.499 3.499 3.499 . 0 0 "[ ]" 1 565 1 62 THR H 1 63 LYS H 2.900 . 3.500 2.499 2.499 2.499 . 0 0 "[ ]" 1 566 1 62 THR H 1 64 LYS H 4.700 . 5.300 3.670 3.670 3.670 . 0 0 "[ ]" 1 567 1 61 PHE H 1 62 THR H 3.000 . 3.500 2.474 2.474 2.474 . 0 0 "[ ]" 1 568 1 62 THR H 1 63 LYS HB2 5.000 . 5.300 4.559 4.559 4.559 . 0 0 "[ ]" 1 569 1 60 ALA MB 1 62 THR H 5.500 . 6.500 4.310 4.310 4.310 . 0 0 "[ ]" 1 570 1 62 THR H 1 62 THR MG 4.300 . 5.300 3.778 3.778 3.778 . 0 0 "[ ]" 1 571 1 62 THR H 1 103 LEU MD2 4.700 . 5.300 4.071 4.071 4.071 . 0 0 "[ ]" 1 572 1 62 THR H 1 103 LEU MD1 5.800 . 6.500 4.715 4.715 4.715 . 0 0 "[ ]" 1 573 1 62 THR HA 1 65 MET HB3 2.700 . 3.500 3.213 3.213 3.213 . 0 0 "[ ]" 1 574 1 62 THR HA 1 62 THR HB 2.900 . 3.500 3.036 3.036 3.036 . 0 0 "[ ]" 1 575 1 63 LYS H 1 63 LYS HA 2.800 . 3.500 2.916 2.916 2.916 . 0 0 "[ ]" 1 576 1 62 THR HA 1 63 LYS H 3.800 . 5.300 3.562 3.562 3.562 . 0 0 "[ ]" 1 577 1 61 PHE HA 1 63 LYS H 5.000 . 5.300 4.546 4.546 4.546 . 0 0 "[ ]" 1 578 1 63 LYS H 1 65 MET H 4.500 . 5.300 4.174 4.174 4.174 . 0 0 "[ ]" 1 579 1 63 LYS H 1 64 LYS H 2.700 . 3.500 2.440 2.440 2.440 . 0 0 "[ ]" 1 580 1 63 LYS H 1 63 LYS HB2 2.500 . 2.700 2.239 2.239 2.239 . 0 0 "[ ]" 1 581 1 63 LYS H 1 63 LYS QD 5.200 . 5.300 4.450 4.450 4.450 . 0 0 "[ ]" 1 582 1 62 THR MG 1 63 LYS H 4.800 . 5.300 3.476 3.476 3.476 . 0 0 "[ ]" 1 583 1 63 LYS H 1 63 LYS HG2 3.600 . 5.300 4.502 4.502 4.502 . 0 0 "[ ]" 1 584 1 63 LYS H 1 63 LYS HG3 3.500 . 5.300 4.136 4.136 4.136 . 0 0 "[ ]" 1 585 1 60 ALA HA 1 63 LYS H 5.500 . 6.500 3.525 3.525 3.525 . 0 0 "[ ]" 1 586 1 62 THR HB 1 63 LYS H 2.500 . 2.700 2.535 2.535 2.535 . 0 0 "[ ]" 1 587 1 63 LYS HA 1 63 LYS HB3 3.000 . 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 1 588 1 63 LYS HA 1 63 LYS HB2 2.200 . 2.700 2.717 2.717 2.717 0.017 1 0 "[ ]" 1 589 1 63 LYS HA 1 63 LYS HG2 2.300 . 2.700 2.436 2.436 2.436 . 0 0 "[ ]" 1 590 1 63 LYS HA 1 63 LYS QD 3.700 . 5.300 3.930 3.930 3.930 . 0 0 "[ ]" 1 591 1 62 THR MG 1 63 LYS HA 4.900 . 5.300 3.661 3.661 3.661 . 0 0 "[ ]" 1 592 1 63 LYS HA 1 66 VAL HB 4.500 . 5.300 4.493 4.493 4.493 . 0 0 "[ ]" 1 593 1 63 LYS HA 1 64 LYS H 3.200 . 3.500 3.494 3.494 3.494 . 0 0 "[ ]" 1 594 1 64 LYS H 1 64 LYS HA 2.700 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1 595 1 61 PHE HA 1 64 LYS H 3.500 . 5.300 3.425 3.425 3.425 . 0 0 "[ ]" 1 596 1 64 LYS H 1 65 MET H 2.600 . 2.700 2.489 2.489 2.489 . 0 0 "[ ]" 1 597 1 64 LYS H 1 66 VAL MG2 6.000 . 6.500 3.750 3.750 3.750 . 0 0 "[ ]" 1 598 1 64 LYS H 1 64 LYS HG2 4.500 . 5.300 4.404 4.404 4.404 . 0 0 "[ ]" 1 599 1 64 LYS H 1 64 LYS HG3 3.600 . 5.300 3.318 3.318 3.318 . 0 0 "[ ]" 1 600 1 64 LYS H 1 64 LYS QD 5.100 . 5.300 3.593 3.593 3.593 . 0 0 "[ ]" 1 601 1 64 LYS H 1 64 LYS HB2 2.300 . 2.700 2.154 2.154 2.154 . 0 0 "[ ]" 1 602 1 63 LYS HB2 1 64 LYS H 4.000 . 5.300 3.680 3.680 3.680 . 0 0 "[ ]" 1 603 1 64 LYS HA 1 67 GLU HB2 3.400 . 3.500 2.745 2.745 2.745 . 0 0 "[ ]" 1 604 1 64 LYS HA 1 64 LYS HB2 2.700 . 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 1 605 1 64 LYS HA 1 64 LYS HG3 3.700 . 5.300 2.217 2.217 2.217 . 0 0 "[ ]" 1 606 1 62 THR HA 1 65 MET H 3.500 . 5.300 3.747 3.747 3.747 . 0 0 "[ ]" 1 607 1 65 MET H 1 65 MET HA 2.900 . 3.500 2.899 2.899 2.899 . 0 0 "[ ]" 1 608 1 65 MET H 1 65 MET QG 4.600 . 5.300 4.015 4.015 4.015 . 0 0 "[ ]" 1 609 1 65 MET H 1 65 MET HB2 3.200 . 3.500 2.622 2.622 2.622 . 0 0 "[ ]" 1 610 1 65 MET H 1 66 VAL MG2 5.100 . 5.300 3.746 3.746 3.746 . 0 0 "[ ]" 1 611 1 65 MET H 1 66 VAL MG1 6.000 . 6.500 3.905 3.905 3.905 . 0 0 "[ ]" 1 612 1 64 LYS QG 1 65 MET H 4.400 . 5.300 4.395 4.395 4.395 . 0 0 "[ ]" 1 613 1 63 LYS HB2 1 65 MET H 5.500 . 6.500 5.811 5.811 5.811 . 0 0 "[ ]" 1 614 1 64 LYS HB2 1 65 MET H 4.400 . 5.300 2.863 2.863 2.863 . 0 0 "[ ]" 1 615 1 65 MET H 1 65 MET HB3 2.500 . 2.700 2.515 2.515 2.515 . 0 0 "[ ]" 1 616 1 61 PHE HA 1 65 MET H 3.400 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1 617 1 64 LYS HA 1 65 MET H 4.000 . 5.300 3.561 3.561 3.561 . 0 0 "[ ]" 1 618 1 65 MET H 1 66 VAL H 2.800 . 3.500 2.525 2.525 2.525 . 0 0 "[ ]" 1 619 1 65 MET H 1 66 VAL HA 5.300 . 6.500 5.213 5.213 5.213 . 0 0 "[ ]" 1 620 1 65 MET HA 1 65 MET HB3 3.000 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1 621 1 65 MET HA 1 65 MET HB2 2.900 . 3.500 2.471 2.471 2.471 . 0 0 "[ ]" 1 622 1 65 MET HA 1 68 ASN HB2 2.900 . 3.500 3.358 3.358 3.358 . 0 0 "[ ]" 1 623 1 66 VAL H 1 66 VAL MG2 3.800 . 5.300 1.901 1.901 1.901 . 0 0 "[ ]" 1 624 1 66 VAL H 1 66 VAL MG1 3.800 . 5.300 2.262 2.262 2.262 . 0 0 "[ ]" 1 625 1 65 MET HB3 1 66 VAL H 2.900 . 3.500 2.914 2.914 2.914 . 0 0 "[ ]" 1 626 1 66 VAL H 1 66 VAL HB 3.500 . 5.300 3.663 3.663 3.663 . 0 0 "[ ]" 1 627 1 66 VAL H 1 68 ASN H 3.800 . 5.300 3.858 3.858 3.858 . 0 0 "[ ]" 1 628 1 65 MET HA 1 66 VAL H 2.800 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1 629 1 63 LYS HA 1 66 VAL H 3.500 . 5.300 3.548 3.548 3.548 . 0 0 "[ ]" 1 630 1 62 THR MG 1 66 VAL H 5.300 . 6.500 4.348 4.348 4.348 . 0 0 "[ ]" 1 631 1 66 VAL H 1 66 VAL HA 2.800 . 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1 632 1 66 VAL H 1 67 GLU H 2.700 . 3.500 2.356 2.356 2.356 . 0 0 "[ ]" 1 633 1 66 VAL HA 1 66 VAL HB 2.500 . 2.700 2.441 2.441 2.441 . 0 0 "[ ]" 1 634 1 66 VAL HA 1 69 ALA MB 4.900 . 5.300 2.549 2.549 2.549 . 0 0 "[ ]" 1 635 1 66 VAL HA 1 94 ALA MB 4.500 . 5.300 3.224 3.224 3.224 . 0 0 "[ ]" 1 636 1 67 GLU H 1 67 GLU HB2 2.600 . 2.700 2.209 2.209 2.209 . 0 0 "[ ]" 1 637 1 66 VAL HB 1 67 GLU H 3.700 . 5.300 3.883 3.883 3.883 . 0 0 "[ ]" 1 638 1 67 GLU H 1 67 GLU HB3 3.500 . 5.300 3.529 3.529 3.529 . 0 0 "[ ]" 1 639 1 67 GLU H 1 67 GLU HG2 2.800 . 3.500 3.087 3.087 3.087 . 0 0 "[ ]" 1 640 1 63 LYS HA 1 67 GLU H 3.700 . 5.300 3.720 3.720 3.720 . 0 0 "[ ]" 1 641 1 64 LYS HA 1 67 GLU H 3.500 . 5.300 3.511 3.511 3.511 . 0 0 "[ ]" 1 642 1 64 LYS HB2 1 67 GLU H 5.500 . 6.500 5.604 5.604 5.604 . 0 0 "[ ]" 1 643 1 67 GLU H 1 67 GLU HA 2.800 . 3.500 2.906 2.906 2.906 . 0 0 "[ ]" 1 644 1 67 GLU H 1 69 ALA H 4.000 . 5.300 4.194 4.194 4.194 . 0 0 "[ ]" 1 645 1 67 GLU H 1 68 ASN H 2.700 . 3.500 2.493 2.493 2.493 . 0 0 "[ ]" 1 646 1 65 MET H 1 67 GLU H 3.600 . 5.300 4.047 4.047 4.047 . 0 0 "[ ]" 1 647 1 65 MET HB3 1 67 GLU H 5.000 . 5.300 5.129 5.129 5.129 . 0 0 "[ ]" 1 648 1 66 VAL MG1 1 67 GLU H 4.300 . 5.300 3.843 3.843 3.843 . 0 0 "[ ]" 1 649 1 66 VAL MG2 1 67 GLU H 4.300 . 5.300 1.985 1.985 1.985 . 0 0 "[ ]" 1 650 1 66 VAL HA 1 67 GLU H 3.600 . 5.300 3.531 3.531 3.531 . 0 0 "[ ]" 1 651 1 14 LEU MD2 1 67 GLU H 5.500 . 6.500 3.295 3.295 3.295 . 0 0 "[ ]" 1 652 1 66 VAL MG2 1 67 GLU HA 4.700 . 5.300 3.296 3.296 3.296 . 0 0 "[ ]" 1 653 1 68 ASN H 1 69 ALA H 2.600 . 2.700 2.427 2.427 2.427 . 0 0 "[ ]" 1 654 1 65 MET HA 1 68 ASN H 3.500 . 5.300 3.728 3.728 3.728 . 0 0 "[ ]" 1 655 1 67 GLU HA 1 68 ASN H 3.000 . 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 1 656 1 68 ASN H 1 68 ASN HB2 2.500 . 2.700 2.702 2.702 2.702 0.002 1 0 "[ ]" 1 657 1 68 ASN H 1 68 ASN HB3 3.500 . 5.300 3.672 3.672 3.672 . 0 0 "[ ]" 1 658 1 67 GLU HB3 1 68 ASN H 3.700 . 5.300 3.528 3.528 3.528 . 0 0 "[ ]" 1 659 1 67 GLU HB2 1 68 ASN H 3.500 . 5.300 2.985 2.985 2.985 . 0 0 "[ ]" 1 660 1 66 VAL MG2 1 68 ASN H 5.300 . 6.500 4.101 4.101 4.101 . 0 0 "[ ]" 1 661 1 68 ASN H 1 69 ALA MB 5.300 . 6.500 4.016 4.016 4.016 . 0 0 "[ ]" 1 662 1 66 VAL HA 1 68 ASN H 3.700 . 5.500 4.260 4.260 4.260 . 0 0 "[ ]" 1 663 1 68 ASN H 1 68 ASN HD22 3.400 . 3.500 3.423 3.423 3.423 . 0 0 "[ ]" 1 664 1 68 ASN HB3 1 68 ASN HD21 3.500 . 5.300 3.073 3.073 3.073 . 0 0 "[ ]" 1 665 1 64 LYS HA 1 68 ASN HD21 4.200 . 5.300 4.474 4.474 4.474 . 0 0 "[ ]" 1 666 1 68 ASN HB3 1 68 ASN HD22 3.700 . 5.300 3.856 3.856 3.856 . 0 0 "[ ]" 1 667 1 64 LYS HA 1 68 ASN HD22 3.900 . 5.300 3.327 3.327 3.327 . 0 0 "[ ]" 1 668 1 66 VAL HA 1 69 ALA H 4.100 . 5.300 3.762 3.762 3.762 . 0 0 "[ ]" 1 669 1 68 ASN HA 1 69 ALA H 3.600 . 5.300 3.578 3.578 3.578 . 0 0 "[ ]" 1 670 1 65 MET HA 1 69 ALA H 3.300 . 3.500 3.409 3.409 3.409 . 0 0 "[ ]" 1 671 1 67 GLU HA 1 69 ALA H 3.900 . 5.300 5.043 5.043 5.043 . 0 0 "[ ]" 1 672 1 68 ASN HB2 1 69 ALA H 3.400 . 3.500 2.374 2.374 2.374 . 0 0 "[ ]" 1 673 1 68 ASN HB3 1 69 ALA H 3.800 . 5.300 3.706 3.706 3.706 . 0 0 "[ ]" 1 674 1 69 ALA H 1 72 ILE HG13 4.800 . 5.300 5.172 5.172 5.172 . 0 0 "[ ]" 1 675 1 69 ALA H 1 72 ILE MD 5.900 . 6.500 4.485 4.485 4.485 . 0 0 "[ ]" 1 676 1 69 ALA H 1 70 LYS H 4.600 . 5.300 4.273 4.273 4.273 . 0 0 "[ ]" 1 677 1 66 VAL H 1 69 ALA H 4.900 . 5.300 4.559 4.559 4.559 . 0 0 "[ ]" 1 678 1 70 LYS H 1 70 LYS HA 3.000 . 3.500 2.883 2.883 2.883 . 0 0 "[ ]" 1 679 1 69 ALA HA 1 70 LYS H 3.200 . 3.500 2.267 2.267 2.267 . 0 0 "[ ]" 1 680 1 70 LYS H 1 95 ASP H 4.300 . 5.300 5.101 5.101 5.101 . 0 0 "[ ]" 1 681 1 70 LYS H 1 70 LYS HB3 4.000 . 5.300 3.601 3.601 3.601 . 0 0 "[ ]" 1 682 1 70 LYS H 1 70 LYS HB2 3.500 . 5.300 2.778 2.778 2.778 . 0 0 "[ ]" 1 683 1 70 LYS H 1 70 LYS HG2 3.300 . 3.500 2.434 2.434 2.434 . 0 0 "[ ]" 1 684 1 69 ALA MB 1 70 LYS H 4.800 . 5.300 3.558 3.558 3.558 . 0 0 "[ ]" 1 685 1 70 LYS H 1 70 LYS HG3 3.200 . 3.500 2.064 2.064 2.064 . 0 0 "[ ]" 1 686 1 70 LYS HA 1 70 LYS HB3 2.800 . 3.500 2.358 2.358 2.358 . 0 0 "[ ]" 1 687 1 69 ALA MB 1 70 LYS HA 5.500 . 6.500 4.466 4.466 4.466 . 0 0 "[ ]" 1 688 1 70 LYS HA 1 70 LYS HD3 5.100 . 5.300 4.403 4.403 4.403 . 0 0 "[ ]" 1 689 1 70 LYS HA 1 71 LYS H 3.800 . 5.300 3.530 3.530 3.530 . 0 0 "[ ]" 1 690 1 71 LYS H 1 71 LYS HB3 3.500 . 5.300 3.696 3.696 3.696 . 0 0 "[ ]" 1 691 1 71 LYS H 1 71 LYS HB2 2.700 . 3.500 2.758 2.758 2.758 . 0 0 "[ ]" 1 692 1 71 LYS H 1 71 LYS HG3 3.200 . 3.500 2.177 2.177 2.177 . 0 0 "[ ]" 1 693 1 71 LYS H 1 71 LYS HG2 4.000 . 5.300 2.911 2.911 2.911 . 0 0 "[ ]" 1 694 1 69 ALA MB 1 71 LYS H 4.900 . 5.300 3.539 3.539 3.539 . 0 0 "[ ]" 1 695 1 70 LYS H 1 71 LYS H 2.900 . 3.500 2.574 2.574 2.574 . 0 0 "[ ]" 1 696 1 70 LYS HB2 1 71 LYS H 3.000 . 3.500 2.759 2.759 2.759 . 0 0 "[ ]" 1 697 1 71 LYS HA 1 71 LYS HB3 2.900 . 3.500 2.351 2.351 2.351 . 0 0 "[ ]" 1 698 1 72 ILE H 1 72 ILE MD 5.400 . 6.500 3.233 3.233 3.233 . 0 0 "[ ]" 1 699 1 72 ILE H 1 72 ILE HG12 4.300 . 5.300 4.077 4.077 4.077 . 0 0 "[ ]" 1 700 1 71 LYS HA 1 72 ILE H 2.700 . 3.500 2.331 2.331 2.331 . 0 0 "[ ]" 1 701 1 71 LYS HB2 1 72 ILE H 4.400 . 5.300 4.374 4.374 4.374 . 0 0 "[ ]" 1 702 1 71 LYS HB3 1 72 ILE H 3.500 . 5.300 4.158 4.158 4.158 . 0 0 "[ ]" 1 703 1 12 ALA H 1 72 ILE H 3.900 . 5.300 4.370 4.370 4.370 . 0 0 "[ ]" 1 704 1 72 ILE H 1 72 ILE HG13 3.200 . 3.500 2.693 2.693 2.693 . 0 0 "[ ]" 1 705 1 71 LYS HG2 1 72 ILE H 4.000 . 5.300 4.867 4.867 4.867 . 0 0 "[ ]" 1 706 1 72 ILE H 1 72 ILE HB 2.500 . 2.700 2.483 2.483 2.483 . 0 0 "[ ]" 1 707 1 72 ILE HA 1 72 ILE HB 2.700 . 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 1 708 1 72 ILE HA 1 94 ALA HA 2.900 . 3.500 2.809 2.809 2.809 . 0 0 "[ ]" 1 709 1 72 ILE HA 1 94 ALA MB 4.500 . 5.300 4.240 4.240 4.240 . 0 0 "[ ]" 1 710 1 69 ALA MB 1 72 ILE HA 5.700 . 6.500 3.554 3.554 3.554 . 0 0 "[ ]" 1 711 1 12 ALA MB 1 72 ILE MG 5.600 . 6.500 2.912 2.912 2.912 . 0 0 "[ ]" 1 712 1 73 GLU H 1 94 ALA MB 5.500 . 6.500 5.286 5.286 5.286 . 0 0 "[ ]" 1 713 1 73 GLU H 1 92 ILE MG 5.500 . 6.500 4.136 4.136 4.136 . 0 0 "[ ]" 1 714 1 72 ILE HA 1 73 GLU H 2.500 . 2.700 2.194 2.194 2.194 . 0 0 "[ ]" 1 715 1 72 ILE MG 1 73 GLU H 4.300 . 5.300 2.898 2.898 2.898 . 0 0 "[ ]" 1 716 1 73 GLU H 1 73 GLU QG 3.500 . 5.300 2.634 2.634 2.634 . 0 0 "[ ]" 1 717 1 73 GLU H 1 73 GLU QB 3.500 . 5.300 2.585 2.585 2.585 . 0 0 "[ ]" 1 718 1 73 GLU H 1 93 TYR HB2 3.500 . 5.300 2.798 2.798 2.798 . 0 0 "[ ]" 1 719 1 73 GLU H 1 94 ALA HA 4.000 . 5.300 4.064 4.064 4.064 . 0 0 "[ ]" 1 720 1 72 ILE HB 1 73 GLU H 4.300 . 5.300 4.383 4.383 4.383 . 0 0 "[ ]" 1 721 1 73 GLU H 1 93 TYR HD2 4.300 . 5.300 4.649 4.649 4.649 . 0 0 "[ ]" 1 722 1 73 GLU H 1 73 GLU HA 3.000 . 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 1 723 1 72 ILE HG13 1 73 GLU H 4.700 . 5.300 4.788 4.788 4.788 . 0 0 "[ ]" 1 724 1 72 ILE HG12 1 73 GLU H 4.200 . 5.300 4.775 4.775 4.775 . 0 0 "[ ]" 1 725 1 73 GLU H 1 93 TYR H 3.400 . 3.500 3.187 3.187 3.187 . 0 0 "[ ]" 1 726 1 12 ALA MB 1 73 GLU HA 5.000 . 5.300 3.511 3.511 3.511 . 0 0 "[ ]" 1 727 1 72 ILE HB 1 73 GLU HA 5.000 . 5.300 4.859 4.859 4.859 . 0 0 "[ ]" 1 728 1 11 PRO HA 1 73 GLU HA 2.700 . 3.500 3.070 3.070 3.070 . 0 0 "[ ]" 1 729 1 73 GLU HA 1 74 VAL H 2.600 . 2.700 2.299 2.299 2.299 . 0 0 "[ ]" 1 730 1 11 PRO HA 1 74 VAL H 4.500 . 5.300 4.355 4.355 4.355 . 0 0 "[ ]" 1 731 1 73 GLU QB 1 74 VAL H 4.000 . 5.300 2.797 2.797 2.797 . 0 0 "[ ]" 1 732 1 74 VAL H 1 74 VAL HB 3.600 . 5.300 3.716 3.716 3.716 . 0 0 "[ ]" 1 733 1 73 GLU H 1 74 VAL H 4.500 . 5.300 4.532 4.532 4.532 . 0 0 "[ ]" 1 734 1 72 ILE MG 1 74 VAL H 5.900 . 6.500 4.647 4.647 4.647 . 0 0 "[ ]" 1 735 1 74 VAL MG1 1 92 ILE MD 5.600 . 6.500 2.079 2.079 2.079 . 0 0 "[ ]" 1 736 1 25 LEU MD1 1 74 VAL MG1 5.000 . 5.300 2.493 2.493 2.493 . 0 0 "[ ]" 1 737 1 74 VAL MG1 1 92 ILE MG 5.700 . 6.500 2.701 2.701 2.701 . 0 0 "[ ]" 1 738 1 74 VAL MG1 1 90 ALA MB 5.800 . 6.500 3.966 3.966 3.966 . 0 0 "[ ]" 1 739 1 74 VAL MG1 1 92 ILE HG12 5.300 . 6.500 4.530 4.530 4.530 . 0 0 "[ ]" 1 740 1 75 GLU H 1 93 TYR HE2 4.300 . 5.300 3.553 3.553 3.553 . 0 0 "[ ]" 1 741 1 75 GLU H 1 93 TYR HD2 4.200 . 5.300 3.620 3.620 3.620 . 0 0 "[ ]" 1 742 1 75 GLU H 1 90 ALA MB 4.300 . 5.300 2.959 2.959 2.959 . 0 0 "[ ]" 1 743 1 74 VAL MG1 1 75 GLU H 5.100 . 5.300 3.684 3.684 3.684 . 0 0 "[ ]" 1 744 1 74 VAL MG2 1 75 GLU H 5.100 . 5.300 3.945 3.945 3.945 . 0 0 "[ ]" 1 745 1 74 VAL HB 1 75 GLU H 3.300 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1 746 1 75 GLU H 1 75 GLU HB2 3.300 . 3.500 3.136 3.136 3.136 . 0 0 "[ ]" 1 747 1 75 GLU H 1 75 GLU HB3 3.100 . 3.500 2.832 2.832 2.832 . 0 0 "[ ]" 1 748 1 75 GLU H 1 91 TYR HB2 3.500 . 5.300 3.655 3.655 3.655 . 0 0 "[ ]" 1 749 1 74 VAL HA 1 75 GLU H 3.500 . 5.300 2.290 2.290 2.290 . 0 0 "[ ]" 1 750 1 75 GLU HA 1 75 GLU QG 3.600 . 5.300 2.362 2.362 2.362 . 0 0 "[ ]" 1 751 1 9 LYS HA 1 75 GLU HA 3.100 . 3.500 3.282 3.282 3.282 . 0 0 "[ ]" 1 752 1 76 PHE H 1 76 PHE HB3 3.700 . 5.300 3.580 3.580 3.580 . 0 0 "[ ]" 1 753 1 75 GLU HA 1 76 PHE H 2.600 . 2.700 2.223 2.223 2.223 . 0 0 "[ ]" 1 754 1 9 LYS HA 1 76 PHE H 4.500 . 5.300 5.204 5.204 5.204 . 0 0 "[ ]" 1 755 1 76 PHE H 1 76 PHE HD2 2.900 . 3.500 2.531 2.531 2.531 . 0 0 "[ ]" 1 756 1 76 PHE H 1 76 PHE QE 4.600 . 5.300 4.578 4.578 4.578 . 0 0 "[ ]" 1 757 1 76 PHE H 1 76 PHE HB2 2.700 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1 758 1 75 GLU HB3 1 76 PHE H 4.300 . 5.300 4.362 4.362 4.362 . 0 0 "[ ]" 1 759 1 75 GLU HB2 1 76 PHE H 4.500 . 5.300 4.546 4.546 4.546 . 0 0 "[ ]" 1 760 1 76 PHE HA 1 76 PHE HB3 2.900 . 3.500 2.596 2.596 2.596 . 0 0 "[ ]" 1 761 1 76 PHE HA 1 90 ALA HA 4.500 . 5.300 2.732 2.732 2.732 . 0 0 "[ ]" 1 762 1 27 TYR QE 1 76 PHE HE2 3.500 . 5.300 2.600 2.600 2.600 . 0 0 "[ ]" 1 763 1 76 PHE HE1 1 89 LEU H 3.100 . 3.500 3.194 3.194 3.194 . 0 0 "[ ]" 1 764 1 76 PHE HE1 1 90 ALA MB 5.300 . 6.500 3.059 3.059 3.059 . 0 0 "[ ]" 1 765 1 32 MET ME 1 76 PHE HE1 6.000 . 6.500 3.767 3.767 3.767 . 0 0 "[ ]" 1 766 1 76 PHE HE1 1 88 GLY HA2 3.500 . 5.300 2.620 2.620 2.620 . 0 0 "[ ]" 1 767 1 76 PHE HD1 1 81 ARG HG3 4.200 . 5.300 2.548 2.548 2.548 . 0 0 "[ ]" 1 768 1 76 PHE HA 1 76 PHE HD1 2.800 . 3.500 2.816 2.816 2.816 . 0 0 "[ ]" 1 769 1 76 PHE HD1 1 81 ARG HB2 4.100 . 5.300 4.710 4.710 4.710 . 0 0 "[ ]" 1 770 1 76 PHE HB3 1 76 PHE QD 2.700 . 3.500 2.457 2.457 2.457 . 0 0 "[ ]" 1 771 1 76 PHE HB2 1 76 PHE QD 2.700 . 3.500 2.374 2.374 2.374 . 0 0 "[ ]" 1 772 1 76 PHE HD1 1 90 ALA MB 5.000 . 5.300 2.375 2.375 2.375 . 0 0 "[ ]" 1 773 1 32 MET ME 1 76 PHE HZ 5.400 . 6.500 2.780 2.780 2.780 . 0 0 "[ ]" 1 774 1 34 PHE HE2 1 76 PHE HZ 5.000 . 5.300 2.339 2.339 2.339 . 0 0 "[ ]" 1 775 1 76 PHE HZ 1 90 ALA MB 6.000 . 6.500 3.840 3.840 3.840 . 0 0 "[ ]" 1 776 1 77 ASP H 1 79 GLY H 4.300 . 5.300 4.494 4.494 4.494 . 0 0 "[ ]" 1 777 1 76 PHE HD1 1 77 ASP H 3.900 . 5.300 3.569 3.569 3.569 . 0 0 "[ ]" 1 778 1 37 LEU MD1 1 77 ASP H 4.900 . 5.300 3.378 3.378 3.378 . 0 0 "[ ]" 1 779 1 76 PHE HB3 1 77 ASP H 3.000 . 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 1 780 1 76 PHE HB2 1 77 ASP H 3.800 . 5.300 4.179 4.179 4.179 . 0 0 "[ ]" 1 781 1 77 ASP H 1 77 ASP HB3 4.100 . 5.300 2.871 2.871 2.871 . 0 0 "[ ]" 1 782 1 77 ASP H 1 77 ASP HB2 3.000 . 3.500 2.368 2.368 2.368 . 0 0 "[ ]" 1 783 1 76 PHE HA 1 77 ASP H 2.900 . 3.500 2.263 2.263 2.263 . 0 0 "[ ]" 1 784 1 77 ASP H 1 118 ASN HA 5.500 . 6.500 6.502 6.502 6.502 0.002 1 0 "[ ]" 1 785 1 77 ASP HA 1 77 ASP HB3 3.000 . 3.500 2.990 2.990 2.990 . 0 0 "[ ]" 1 786 1 77 ASP HA 1 77 ASP HB2 2.800 . 3.500 2.667 2.667 2.667 . 0 0 "[ ]" 1 787 1 77 ASP HA 1 120 THR MG 5.500 . 6.500 4.789 4.789 4.789 . 0 0 "[ ]" 1 788 1 7 LEU MD2 1 77 ASP HA 3.600 . 5.300 3.631 3.631 3.631 . 0 0 "[ ]" 1 789 1 7 LEU MD1 1 77 ASP HA 4.000 . 5.300 3.684 3.684 3.684 . 0 0 "[ ]" 1 790 1 37 LEU MD1 1 77 ASP HA 5.800 . 6.500 4.943 4.943 4.943 . 0 0 "[ ]" 1 791 1 78 LYS H 1 78 LYS HB3 3.500 . 5.300 2.564 2.564 2.564 . 0 0 "[ ]" 1 792 1 78 LYS H 1 78 LYS HA 3.000 . 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 1 793 1 77 ASP HA 1 78 LYS H 2.900 . 3.500 2.379 2.379 2.379 . 0 0 "[ ]" 1 794 1 78 LYS H 1 79 GLY H 2.700 . 3.500 2.723 2.723 2.723 . 0 0 "[ ]" 1 795 1 77 ASP HB3 1 78 LYS H 3.400 . 3.500 3.367 3.367 3.367 . 0 0 "[ ]" 1 796 1 77 ASP HB2 1 78 LYS H 5.500 . 6.500 4.115 4.115 4.115 . 0 0 "[ ]" 1 797 1 78 LYS H 1 78 LYS QD 4.900 . 5.300 3.965 3.965 3.965 . 0 0 "[ ]" 1 798 1 78 LYS H 1 78 LYS HG3 3.400 . 3.500 3.382 3.382 3.382 . 0 0 "[ ]" 1 799 1 78 LYS HA 1 78 LYS HB3 2.500 . 2.700 2.456 2.456 2.456 . 0 0 "[ ]" 1 800 1 79 GLY H 1 118 ASN HD21 4.500 . 5.300 5.248 5.248 5.248 . 0 0 "[ ]" 1 801 1 79 GLY H 1 118 ASN HD22 3.900 . 5.300 4.287 4.287 4.287 . 0 0 "[ ]" 1 802 1 78 LYS HA 1 79 GLY H 3.500 . 5.300 3.441 3.441 3.441 . 0 0 "[ ]" 1 803 1 78 LYS HB2 1 79 GLY H 3.500 . 5.300 4.060 4.060 4.060 . 0 0 "[ ]" 1 804 1 78 LYS HB3 1 79 GLY H 4.000 . 5.300 4.194 4.194 4.194 . 0 0 "[ ]" 1 805 1 78 LYS QD 1 79 GLY H 6.000 . 6.500 4.504 4.504 4.504 . 0 0 "[ ]" 1 806 1 77 ASP HB3 1 79 GLY H 4.400 . 5.300 2.316 2.316 2.316 . 0 0 "[ ]" 1 807 1 77 ASP HB2 1 79 GLY H 5.000 . 5.300 3.989 3.989 3.989 . 0 0 "[ ]" 1 808 1 79 GLY H 1 79 GLY HA3 2.800 . 3.500 2.347 2.347 2.347 . 0 0 "[ ]" 1 809 1 79 GLY H 1 79 GLY HA2 3.000 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 1 810 1 79 GLY H 1 118 ASN HA 3.500 . 5.300 3.881 3.881 3.881 . 0 0 "[ ]" 1 811 1 79 GLY H 1 119 ASN H 5.500 . 6.500 5.369 5.369 5.369 . 0 0 "[ ]" 1 812 1 80 GLN H 1 118 ASN HD21 4.000 . 5.300 3.425 3.425 3.425 . 0 0 "[ ]" 1 813 1 80 GLN H 1 118 ASN HD22 3.900 . 5.300 2.918 2.918 2.918 . 0 0 "[ ]" 1 814 1 80 GLN H 1 80 GLN HB2 2.700 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1 815 1 80 GLN H 1 80 GLN HB3 3.500 . 5.300 3.597 3.597 3.597 . 0 0 "[ ]" 1 816 1 80 GLN H 1 80 GLN QG 4.000 . 5.300 2.503 2.503 2.503 . 0 0 "[ ]" 1 817 1 79 GLY HA2 1 80 GLN H 3.500 . 5.300 2.815 2.815 2.815 . 0 0 "[ ]" 1 818 1 79 GLY HA3 1 80 GLN H 3.300 . 3.500 2.423 2.423 2.423 . 0 0 "[ ]" 1 819 1 80 GLN H 1 80 GLN HA 3.000 . 3.500 2.822 2.822 2.822 . 0 0 "[ ]" 1 820 1 80 GLN H 1 81 ARG H 5.000 . 5.300 4.619 4.619 4.619 . 0 0 "[ ]" 1 821 1 81 ARG H 1 81 ARG HA 2.900 . 3.500 2.994 2.994 2.994 . 0 0 "[ ]" 1 822 1 80 GLN HB2 1 81 ARG H 4.000 . 5.300 3.425 3.425 3.425 . 0 0 "[ ]" 1 823 1 80 GLN HB3 1 81 ARG H 2.900 . 3.500 2.034 2.034 2.034 . 0 0 "[ ]" 1 824 1 80 GLN QG 1 81 ARG H 5.000 . 5.300 3.480 3.480 3.480 . 0 0 "[ ]" 1 825 1 81 ARG H 1 81 ARG HB3 3.500 . 5.300 2.832 2.832 2.832 . 0 0 "[ ]" 1 826 1 81 ARG H 1 81 ARG HB2 2.900 . 3.500 2.893 2.893 2.893 . 0 0 "[ ]" 1 827 1 81 ARG H 1 81 ARG QG 3.900 . 5.300 4.119 4.119 4.119 . 0 0 "[ ]" 1 828 1 80 GLN HA 1 81 ARG H 2.500 . 2.700 2.651 2.651 2.651 . 0 0 "[ ]" 1 829 1 80 GLN HB3 1 82 THR H 3.100 . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 1 830 1 80 GLN QG 1 82 THR H 5.300 . 6.500 4.548 4.548 4.548 . 0 0 "[ ]" 1 831 1 81 ARG HA 1 82 THR H 3.500 . 5.300 3.543 3.543 3.543 . 0 0 "[ ]" 1 832 1 82 THR H 1 82 THR MG 4.400 . 5.300 2.725 2.725 2.725 . 0 0 "[ ]" 1 833 1 81 ARG HB3 1 82 THR H 4.000 . 5.300 2.692 2.692 2.692 . 0 0 "[ ]" 1 834 1 82 THR H 1 89 LEU MD1 5.400 . 6.500 4.507 4.507 4.507 . 0 0 "[ ]" 1 835 1 81 ARG QG 1 82 THR H 4.800 . 5.300 3.983 3.983 3.983 . 0 0 "[ ]" 1 836 1 82 THR H 1 82 THR HB 3.700 . 5.300 3.846 3.846 3.846 . 0 0 "[ ]" 1 837 1 81 ARG H 1 82 THR H 2.600 . 2.700 1.946 1.946 1.946 . 0 0 "[ ]" 1 838 1 81 ARG HB2 1 82 THR H 3.500 . 5.300 3.768 3.768 3.768 . 0 0 "[ ]" 1 839 1 80 GLN HB2 1 82 THR H 4.200 . 5.300 4.412 4.412 4.412 . 0 0 "[ ]" 1 840 1 82 THR HA 1 82 THR HB 2.600 . 2.700 2.448 2.448 2.448 . 0 0 "[ ]" 1 841 1 82 THR HA 1 88 GLY HA2 2.900 . 3.500 3.015 3.015 3.015 . 0 0 "[ ]" 1 842 1 82 THR HA 1 89 LEU HG 2.800 . 3.500 3.331 3.331 3.331 . 0 0 "[ ]" 1 843 1 82 THR HA 1 89 LEU HB2 4.000 . 5.300 3.955 3.955 3.955 . 0 0 "[ ]" 1 844 1 82 THR HA 1 89 LEU MD1 4.900 . 5.300 4.152 4.152 4.152 . 0 0 "[ ]" 1 845 1 82 THR HA 1 83 ASP H 2.700 . 3.500 2.225 2.225 2.225 . 0 0 "[ ]" 1 846 1 82 THR HB 1 83 ASP H 2.800 . 3.500 3.176 3.176 3.176 . 0 0 "[ ]" 1 847 1 83 ASP H 1 83 ASP HB3 3.300 . 3.500 3.237 3.237 3.237 . 0 0 "[ ]" 1 848 1 83 ASP H 1 89 LEU HG 3.200 . 3.500 2.676 2.676 2.676 . 0 0 "[ ]" 1 849 1 82 THR MG 1 83 ASP H 4.500 . 5.300 4.051 4.051 4.051 . 0 0 "[ ]" 1 850 1 83 ASP H 1 89 LEU MD1 4.800 . 5.300 3.442 3.442 3.442 . 0 0 "[ ]" 1 851 1 83 ASP H 1 87 ARG H 2.800 . 3.500 2.570 2.570 2.570 . 0 0 "[ ]" 1 852 1 83 ASP HA 1 83 ASP HB3 2.700 . 3.500 2.876 2.876 2.876 . 0 0 "[ ]" 1 853 1 83 ASP HA 1 83 ASP HB2 2.900 . 3.500 2.841 2.841 2.841 . 0 0 "[ ]" 1 854 1 83 ASP HA 1 89 LEU MD1 4.500 . 5.300 2.579 2.579 2.579 . 0 0 "[ ]" 1 855 1 84 LYS H 1 84 LYS HG3 3.500 . 5.300 3.410 3.410 3.410 . 0 0 "[ ]" 1 856 1 84 LYS H 1 84 LYS HG2 2.900 . 3.500 3.367 3.367 3.367 . 0 0 "[ ]" 1 857 1 84 LYS H 1 84 LYS HB3 3.500 . 5.300 3.558 3.558 3.558 . 0 0 "[ ]" 1 858 1 84 LYS H 1 84 LYS HB2 2.900 . 3.500 2.256 2.256 2.256 . 0 0 "[ ]" 1 859 1 83 ASP HB2 1 84 LYS H 3.200 . 3.500 3.441 3.441 3.441 . 0 0 "[ ]" 1 860 1 83 ASP HB3 1 84 LYS H 3.600 . 5.300 1.871 1.871 1.871 . 0 0 "[ ]" 1 861 1 83 ASP HA 1 84 LYS H 3.300 . 3.500 2.889 2.889 2.889 . 0 0 "[ ]" 1 862 1 84 LYS H 1 84 LYS HA 2.800 . 3.500 2.949 2.949 2.949 . 0 0 "[ ]" 1 863 1 84 LYS HA 1 84 LYS HB2 2.800 . 3.500 3.004 3.004 3.004 . 0 0 "[ ]" 1 864 1 84 LYS HA 1 84 LYS HB3 2.900 . 3.500 2.634 2.634 2.634 . 0 0 "[ ]" 1 865 1 85 TYR H 1 85 TYR HB2 2.900 . 3.500 2.337 2.337 2.337 . 0 0 "[ ]" 1 866 1 85 TYR H 1 86 GLY H 2.600 . 2.700 2.363 2.363 2.363 . 0 0 "[ ]" 1 867 1 84 LYS HA 1 85 TYR H 4.000 . 5.300 3.426 3.426 3.426 . 0 0 "[ ]" 1 868 1 84 LYS HG3 1 85 TYR H 5.200 . 5.300 5.172 5.172 5.172 . 0 0 "[ ]" 1 869 1 84 LYS HG2 1 85 TYR H 5.000 . 5.300 4.853 4.853 4.853 . 0 0 "[ ]" 1 870 1 84 LYS HB3 1 85 TYR H 5.400 . 6.500 3.875 3.875 3.875 . 0 0 "[ ]" 1 871 1 85 TYR H 1 87 ARG H 3.500 . 5.300 3.318 3.318 3.318 . 0 0 "[ ]" 1 872 1 85 TYR HB2 1 85 TYR QD 2.800 . 3.500 2.590 2.590 2.590 . 0 0 "[ ]" 1 873 1 85 TYR HB3 1 85 TYR QD 2.900 . 3.500 2.309 2.309 2.309 . 0 0 "[ ]" 1 874 1 85 TYR H 1 85 TYR HD1 2.900 . 3.500 2.509 2.509 2.509 . 0 0 "[ ]" 1 875 1 85 TYR HD1 1 86 GLY H 5.000 . 5.300 4.660 4.660 4.660 . 0 0 "[ ]" 1 876 1 86 GLY H 1 86 GLY HA2 2.700 . 3.500 2.376 2.376 2.376 . 0 0 "[ ]" 1 877 1 86 GLY H 1 86 GLY HA3 3.000 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1 878 1 85 TYR HA 1 86 GLY H 3.900 . 5.300 3.239 3.239 3.239 . 0 0 "[ ]" 1 879 1 85 TYR HB3 1 86 GLY H 4.500 . 5.300 4.192 4.192 4.192 . 0 0 "[ ]" 1 880 1 85 TYR HB2 1 86 GLY H 4.100 . 5.300 3.714 3.714 3.714 . 0 0 "[ ]" 1 881 1 82 THR HB 1 86 GLY H 4.500 . 5.300 3.949 3.949 3.949 . 0 0 "[ ]" 1 882 1 84 LYS HA 1 86 GLY H 4.600 . 5.300 3.693 3.693 3.693 . 0 0 "[ ]" 1 883 1 87 ARG H 1 87 ARG HB3 4.000 . 5.300 3.697 3.697 3.697 . 0 0 "[ ]" 1 884 1 86 GLY H 1 87 ARG H 2.800 . 3.500 2.390 2.390 2.390 . 0 0 "[ ]" 1 885 1 86 GLY HA3 1 87 ARG H 3.900 . 5.300 3.533 3.533 3.533 . 0 0 "[ ]" 1 886 1 86 GLY HA2 1 87 ARG H 3.800 . 5.300 2.928 2.928 2.928 . 0 0 "[ ]" 1 887 1 87 ARG H 1 87 ARG HB2 3.500 . 5.300 2.721 2.721 2.721 . 0 0 "[ ]" 1 888 1 87 ARG H 1 87 ARG QD 2.900 . 3.500 2.846 2.846 2.846 . 0 0 "[ ]" 1 889 1 85 TYR HB3 1 87 ARG H 4.000 . 5.300 4.607 4.607 4.607 . 0 0 "[ ]" 1 890 1 85 TYR HB2 1 87 ARG H 4.000 . 5.300 3.869 3.869 3.869 . 0 0 "[ ]" 1 891 1 82 THR HB 1 87 ARG H 4.500 . 5.300 3.666 3.666 3.666 . 0 0 "[ ]" 1 892 1 87 ARG H 1 87 ARG QG 4.000 . 5.300 2.113 2.113 2.113 . 0 0 "[ ]" 1 893 1 82 THR MG 1 87 ARG H 6.000 . 6.500 4.743 4.743 4.743 . 0 0 "[ ]" 1 894 1 35 ARG HB2 1 87 ARG HA 5.400 . 6.500 4.090 4.090 4.090 . 0 0 "[ ]" 1 895 1 87 ARG HA 1 87 ARG QG 3.800 . 5.300 3.147 3.147 3.147 . 0 0 "[ ]" 1 896 1 88 GLY H 1 88 GLY HA3 3.000 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1 897 1 34 PHE HA 1 88 GLY H 3.100 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1 898 1 87 ARG HA 1 88 GLY H 3.100 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1 899 1 87 ARG HB2 1 88 GLY H 3.800 . 5.300 3.864 3.864 3.864 . 0 0 "[ ]" 1 900 1 34 PHE HB3 1 88 GLY H 5.000 . 5.300 4.974 4.974 4.974 . 0 0 "[ ]" 1 901 1 87 ARG HG2 1 88 GLY H 4.300 . 5.300 5.246 5.246 5.246 . 0 0 "[ ]" 1 902 1 82 THR MG 1 88 GLY H 5.300 . 6.500 4.865 4.865 4.865 . 0 0 "[ ]" 1 903 1 88 GLY H 1 89 LEU H 5.000 . 5.300 4.200 4.200 4.200 . 0 0 "[ ]" 1 904 1 35 ARG HB2 1 88 GLY H 5.400 . 6.500 4.107 4.107 4.107 . 0 0 "[ ]" 1 905 1 35 ARG HB3 1 88 GLY H 5.100 . 5.300 4.872 4.872 4.872 . 0 0 "[ ]" 1 906 1 35 ARG H 1 88 GLY H 3.700 . 5.300 2.926 2.926 2.926 . 0 0 "[ ]" 1 907 1 34 PHE H 1 88 GLY H 5.000 . 5.300 4.027 4.027 4.027 . 0 0 "[ ]" 1 908 1 82 THR MG 1 88 GLY HA2 4.900 . 5.300 3.073 3.073 3.073 . 0 0 "[ ]" 1 909 1 82 THR HA 1 89 LEU H 3.200 . 3.500 2.647 2.647 2.647 . 0 0 "[ ]" 1 910 1 88 GLY HA2 1 89 LEU H 3.500 . 5.300 2.283 2.283 2.283 . 0 0 "[ ]" 1 911 1 88 GLY HA3 1 89 LEU H 3.600 . 5.300 3.490 3.490 3.490 . 0 0 "[ ]" 1 912 1 89 LEU H 1 89 LEU HB2 3.000 . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 1 913 1 89 LEU H 1 89 LEU HG 3.400 . 3.500 2.431 2.431 2.431 . 0 0 "[ ]" 1 914 1 89 LEU H 1 89 LEU HB3 4.000 . 5.300 3.610 3.610 3.610 . 0 0 "[ ]" 1 915 1 82 THR MG 1 89 LEU H 5.500 . 6.500 3.987 3.987 3.987 . 0 0 "[ ]" 1 916 1 89 LEU H 1 90 ALA MB 5.800 . 6.500 4.474 4.474 4.474 . 0 0 "[ ]" 1 917 1 76 PHE HD1 1 89 LEU H 3.500 . 5.300 4.232 4.232 4.232 . 0 0 "[ ]" 1 918 1 89 LEU HA 1 89 LEU HG 3.200 . 3.500 3.044 3.044 3.044 . 0 0 "[ ]" 1 919 1 89 LEU HA 1 89 LEU HB3 3.000 . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1 920 1 89 LEU MD2 1 90 ALA H 5.400 . 6.500 3.531 3.531 3.531 . 0 0 "[ ]" 1 921 1 37 LEU HG 1 90 ALA H 3.300 . 3.500 3.301 3.301 3.301 . 0 0 "[ ]" 1 922 1 89 LEU HA 1 90 ALA H 2.600 . 2.700 2.240 2.240 2.240 . 0 0 "[ ]" 1 923 1 37 LEU MD1 1 90 ALA H 5.100 . 5.300 2.975 2.975 2.975 . 0 0 "[ ]" 1 924 1 89 LEU HG 1 90 ALA H 5.500 . 6.500 5.207 5.207 5.207 . 0 0 "[ ]" 1 925 1 34 PHE HE2 1 90 ALA H 5.500 . 6.500 5.868 5.868 5.868 . 0 0 "[ ]" 1 926 1 36 LEU HA 1 90 ALA H 4.000 . 5.300 4.259 4.259 4.259 . 0 0 "[ ]" 1 927 1 37 LEU HA 1 90 ALA H 3.600 . 5.300 4.549 4.549 4.549 . 0 0 "[ ]" 1 928 1 37 LEU MD1 1 90 ALA HA 5.000 . 5.300 2.401 2.401 2.401 . 0 0 "[ ]" 1 929 1 75 GLU H 1 91 TYR H 2.800 . 3.500 2.878 2.878 2.878 . 0 0 "[ ]" 1 930 1 37 LEU HB3 1 91 TYR H 5.300 . 6.500 5.885 5.885 5.885 . 0 0 "[ ]" 1 931 1 91 TYR H 1 91 TYR HB2 3.700 . 5.300 2.671 2.671 2.671 . 0 0 "[ ]" 1 932 1 91 TYR H 1 91 TYR HB3 4.000 . 5.300 3.786 3.786 3.786 . 0 0 "[ ]" 1 933 1 91 TYR H 1 91 TYR HE2 5.400 . 6.500 4.569 4.569 4.569 . 0 0 "[ ]" 1 934 1 91 TYR H 1 91 TYR HD2 3.900 . 5.300 2.581 2.581 2.581 . 0 0 "[ ]" 1 935 1 91 TYR H 1 93 TYR HE2 4.400 . 5.300 4.365 4.365 4.365 . 0 0 "[ ]" 1 936 1 37 LEU MD1 1 91 TYR H 5.400 . 6.500 4.531 4.531 4.531 . 0 0 "[ ]" 1 937 1 90 ALA MB 1 91 TYR H 4.200 . 5.300 1.863 1.863 1.863 . 0 0 "[ ]" 1 938 1 75 GLU HB2 1 91 TYR H 5.000 . 5.300 4.997 4.997 4.997 . 0 0 "[ ]" 1 939 1 90 ALA H 1 91 TYR H 4.000 . 5.300 4.357 4.357 4.357 . 0 0 "[ ]" 1 940 1 90 ALA HA 1 91 TYR H 2.900 . 3.500 2.734 2.734 2.734 . 0 0 "[ ]" 1 941 1 38 LEU MD1 1 91 TYR HE1 4.400 . 5.300 2.485 2.485 2.485 . 0 0 "[ ]" 1 942 1 37 LEU MD1 1 91 TYR HE1 5.200 . 5.300 4.146 4.146 4.146 . 0 0 "[ ]" 1 943 1 37 LEU MD2 1 91 TYR HE1 5.300 . 6.500 4.222 4.222 4.222 . 0 0 "[ ]" 1 944 1 91 TYR HE1 1 121 HIS H 3.800 . 5.300 4.470 4.470 4.470 . 0 0 "[ ]" 1 945 1 91 TYR HE1 1 121 HIS HB2 3.000 . 3.500 3.440 3.440 3.440 . 0 0 "[ ]" 1 946 1 91 TYR HE1 1 125 LEU HG 4.500 . 5.300 5.157 5.157 5.157 . 0 0 "[ ]" 1 947 1 37 LEU HB3 1 91 TYR HE1 3.000 . 3.500 2.762 2.762 2.762 . 0 0 "[ ]" 1 948 1 91 TYR HE1 1 125 LEU MD1 4.900 . 5.300 3.323 3.323 3.323 . 0 0 "[ ]" 1 949 1 91 TYR HE1 1 125 LEU MD2 5.700 . 6.500 5.211 5.211 5.211 . 0 0 "[ ]" 1 950 1 7 LEU MD1 1 91 TYR HE2 5.300 . 6.500 5.113 5.113 5.113 . 0 0 "[ ]" 1 951 1 38 LEU HG 1 91 TYR HE1 2.900 . 3.500 2.784 2.784 2.784 . 0 0 "[ ]" 1 952 1 77 ASP HB3 1 91 TYR HE2 4.000 . 5.300 3.557 3.557 3.557 . 0 0 "[ ]" 1 953 1 77 ASP HB2 1 91 TYR HE2 2.900 . 3.500 1.919 1.919 1.919 . 0 0 "[ ]" 1 954 1 91 TYR QE 1 121 HIS HD2 3.500 . 5.300 3.844 3.844 3.844 . 0 0 "[ ]" 1 955 1 77 ASP HA 1 91 TYR HE2 3.500 . 5.300 3.324 3.324 3.324 . 0 0 "[ ]" 1 956 1 90 ALA MB 1 92 ILE H 5.500 . 6.500 5.159 5.159 5.159 . 0 0 "[ ]" 1 957 1 92 ILE H 1 92 ILE HG12 3.400 . 3.500 2.173 2.173 2.173 . 0 0 "[ ]" 1 958 1 92 ILE H 1 92 ILE HG13 3.900 . 5.300 3.715 3.715 3.715 . 0 0 "[ ]" 1 959 1 92 ILE H 1 92 ILE HB 2.600 . 2.700 2.719 2.719 2.719 0.019 1 0 "[ ]" 1 960 1 92 ILE H 1 100 ASN HD22 4.300 . 5.300 3.114 3.114 3.114 . 0 0 "[ ]" 1 961 1 36 LEU MD2 1 92 ILE H 5.000 . 5.300 3.151 3.151 3.151 . 0 0 "[ ]" 1 962 1 92 ILE HA 1 92 ILE HB 3.000 . 3.500 3.017 3.017 3.017 . 0 0 "[ ]" 1 963 1 74 VAL HA 1 92 ILE HA 3.000 . 3.500 2.739 2.739 2.739 . 0 0 "[ ]" 1 964 1 92 ILE HA 1 92 ILE HG12 2.800 . 3.500 3.294 3.294 3.294 . 0 0 "[ ]" 1 965 1 92 ILE HA 1 92 ILE HG13 3.800 . 5.300 3.801 3.801 3.801 . 0 0 "[ ]" 1 966 1 90 ALA MB 1 92 ILE MD 4.800 . 5.300 3.411 3.411 3.411 . 0 0 "[ ]" 1 967 1 93 TYR H 1 93 TYR HD2 2.900 . 3.500 3.187 3.187 3.187 . 0 0 "[ ]" 1 968 1 73 GLU HA 1 93 TYR H 3.600 . 5.300 5.060 5.060 5.060 . 0 0 "[ ]" 1 969 1 73 GLU QB 1 93 TYR H 3.500 . 5.300 4.146 4.146 4.146 . 0 0 "[ ]" 1 970 1 92 ILE HA 1 93 TYR H 2.600 . 2.700 2.338 2.338 2.338 . 0 0 "[ ]" 1 971 1 93 TYR H 1 93 TYR HB2 3.200 . 3.500 2.651 2.651 2.651 . 0 0 "[ ]" 1 972 1 92 ILE MG 1 93 TYR H 4.400 . 5.300 2.194 2.194 2.194 . 0 0 "[ ]" 1 973 1 92 ILE MD 1 93 TYR H 5.200 . 5.300 3.818 3.818 3.818 . 0 0 "[ ]" 1 974 1 92 ILE HB 1 93 TYR H 4.500 . 5.300 3.635 3.635 3.635 . 0 0 "[ ]" 1 975 1 93 TYR H 1 93 TYR HB3 3.700 . 5.300 3.797 3.797 3.797 . 0 0 "[ ]" 1 976 1 93 TYR HA 1 99 VAL MG2 4.800 . 5.300 2.831 2.831 2.831 . 0 0 "[ ]" 1 977 1 93 TYR HA 1 98 MET HA 2.600 . 3.500 2.576 2.576 2.576 . 0 0 "[ ]" 1 978 1 93 TYR HA 1 93 TYR HB3 2.800 . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1 979 1 92 ILE MG 1 93 TYR HD2 5.600 . 6.500 4.565 4.565 4.565 . 0 0 "[ ]" 1 980 1 93 TYR HD1 1 98 MET ME 5.700 . 6.500 5.427 5.427 5.427 . 0 0 "[ ]" 1 981 1 93 TYR HD1 1 98 MET HB2 3.500 . 5.300 3.559 3.559 3.559 . 0 0 "[ ]" 1 982 1 93 TYR HD1 1 98 MET HA 3.500 . 5.300 2.725 2.725 2.725 . 0 0 "[ ]" 1 983 1 93 TYR HD1 1 97 LYS HB3 5.500 . 6.500 5.602 5.602 5.602 . 0 0 "[ ]" 1 984 1 93 TYR HD1 1 96 GLY HA2 4.500 . 5.300 3.847 3.847 3.847 . 0 0 "[ ]" 1 985 1 93 TYR HD1 1 98 MET H 3.300 . 3.500 3.321 3.321 3.321 . 0 0 "[ ]" 1 986 1 93 TYR HD1 1 97 LYS HA 4.500 . 5.300 3.756 3.756 3.756 . 0 0 "[ ]" 1 987 1 92 ILE HA 1 93 TYR HD2 3.500 . 5.300 3.424 3.424 3.424 . 0 0 "[ ]" 1 988 1 93 TYR HA 1 93 TYR QD 3.500 . 5.300 2.809 2.809 2.809 . 0 0 "[ ]" 1 989 1 93 TYR HD1 1 94 ALA H 3.700 . 5.300 4.708 4.708 4.708 . 0 0 "[ ]" 1 990 1 73 GLU QB 1 93 TYR HD2 4.000 . 5.300 3.496 3.496 3.496 . 0 0 "[ ]" 1 991 1 9 LYS HG2 1 93 TYR HD2 4.700 . 5.300 5.200 5.200 5.200 . 0 0 "[ ]" 1 992 1 91 TYR HB2 1 93 TYR HE2 2.800 . 3.500 2.404 2.404 2.404 . 0 0 "[ ]" 1 993 1 91 TYR HB3 1 93 TYR HE2 3.000 . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1 994 1 73 GLU QB 1 93 TYR HE2 5.500 . 6.500 5.331 5.331 5.331 . 0 0 "[ ]" 1 995 1 93 TYR HE1 1 98 MET HB2 2.800 . 3.500 2.435 2.435 2.435 . 0 0 "[ ]" 1 996 1 93 TYR HE1 1 98 MET ME 5.100 . 5.300 3.741 3.741 3.741 . 0 0 "[ ]" 1 997 1 93 TYR HB3 1 93 TYR HE1 4.900 . 5.300 4.724 4.724 4.724 . 0 0 "[ ]" 1 998 1 75 GLU HB3 1 93 TYR HE2 3.000 . 3.500 2.232 2.232 2.232 . 0 0 "[ ]" 1 999 1 91 TYR HD2 1 93 TYR HE2 4.400 . 5.300 4.104 4.104 4.104 . 0 0 "[ ]" 1 1000 1 75 GLU HA 1 93 TYR HE2 4.600 . 5.300 4.818 4.818 4.818 . 0 0 "[ ]" 1 1001 1 9 LYS HG2 1 93 TYR HE2 4.200 . 5.300 4.890 4.890 4.890 . 0 0 "[ ]" 1 1002 1 94 ALA H 1 97 LYS H 3.000 . 3.500 3.474 3.474 3.474 . 0 0 "[ ]" 1 1003 1 94 ALA H 1 99 VAL MG2 4.600 . 5.300 1.825 1.825 1.825 . 0 0 "[ ]" 1 1004 1 92 ILE MG 1 94 ALA H 5.800 . 6.500 3.707 3.707 3.707 . 0 0 "[ ]" 1 1005 1 93 TYR HA 1 94 ALA H 2.600 . 3.500 2.272 2.272 2.272 . 0 0 "[ ]" 1 1006 1 93 TYR HB3 1 94 ALA H 4.000 . 5.300 3.982 3.982 3.982 . 0 0 "[ ]" 1 1007 1 93 TYR HB2 1 94 ALA H 4.900 . 5.300 4.539 4.539 4.539 . 0 0 "[ ]" 1 1008 1 94 ALA H 1 97 LYS HB3 5.000 . 5.300 5.016 5.016 5.016 . 0 0 "[ ]" 1 1009 1 94 ALA H 1 98 MET HA 3.500 . 5.300 4.133 4.133 4.133 . 0 0 "[ ]" 1 1010 1 65 MET ME 1 94 ALA H 4.500 . 5.300 3.458 3.458 3.458 . 0 0 "[ ]" 1 1011 1 66 VAL MG1 1 94 ALA HA 5.800 . 6.500 5.284 5.284 5.284 . 0 0 "[ ]" 1 1012 1 72 ILE MD 1 94 ALA HA 5.900 . 6.500 4.678 4.678 4.678 . 0 0 "[ ]" 1 1013 1 72 ILE MG 1 94 ALA HA 6.000 . 6.500 3.608 3.608 3.608 . 0 0 "[ ]" 1 1014 1 69 ALA MB 1 94 ALA HA 4.500 . 5.300 2.329 2.329 2.329 . 0 0 "[ ]" 1 1015 1 94 ALA H 1 95 ASP H 4.000 . 5.300 4.432 4.432 4.432 . 0 0 "[ ]" 1 1016 1 95 ASP H 1 96 GLY H 2.700 . 3.500 2.685 2.685 2.685 . 0 0 "[ ]" 1 1017 1 71 LYS H 1 95 ASP H 3.600 . 5.300 3.727 3.727 3.727 . 0 0 "[ ]" 1 1018 1 95 ASP H 1 97 LYS H 3.500 . 5.300 3.915 3.915 3.915 . 0 0 "[ ]" 1 1019 1 94 ALA HA 1 95 ASP H 2.600 . 3.500 2.195 2.195 2.195 . 0 0 "[ ]" 1 1020 1 94 ALA MB 1 95 ASP H 4.400 . 5.300 3.364 3.364 3.364 . 0 0 "[ ]" 1 1021 1 69 ALA MB 1 95 ASP H 4.600 . 5.300 2.379 2.379 2.379 . 0 0 "[ ]" 1 1022 1 71 LYS HB2 1 95 ASP H 3.600 . 5.300 3.291 3.291 3.291 . 0 0 "[ ]" 1 1023 1 71 LYS HB3 1 95 ASP H 4.200 . 5.300 4.816 4.816 4.816 . 0 0 "[ ]" 1 1024 1 95 ASP H 1 95 ASP HA 2.900 . 3.500 2.345 2.345 2.345 . 0 0 "[ ]" 1 1025 1 72 ILE HA 1 95 ASP H 3.700 . 5.300 3.337 3.337 3.337 . 0 0 "[ ]" 1 1026 1 95 ASP HA 1 95 ASP HB3 2.700 . 3.500 2.501 2.501 2.501 . 0 0 "[ ]" 1 1027 1 96 GLY H 1 97 LYS H 3.000 . 3.500 2.594 2.594 2.594 . 0 0 "[ ]" 1 1028 1 96 GLY H 1 96 GLY HA3 2.900 . 3.500 2.889 2.889 2.889 . 0 0 "[ ]" 1 1029 1 96 GLY H 1 96 GLY HA2 2.800 . 3.500 2.351 2.351 2.351 . 0 0 "[ ]" 1 1030 1 95 ASP HB2 1 96 GLY H 4.800 . 5.300 4.210 4.210 4.210 . 0 0 "[ ]" 1 1031 1 95 ASP HA 1 96 GLY H 3.000 . 3.500 2.864 2.864 2.864 . 0 0 "[ ]" 1 1032 1 94 ALA HA 1 96 GLY H 4.500 . 5.300 3.941 3.941 3.941 . 0 0 "[ ]" 1 1033 1 71 LYS H 1 96 GLY H 5.600 2.800 6.500 5.567 5.567 5.567 . 0 0 "[ ]" 1 1034 1 71 LYS HB2 1 96 GLY H 4.300 . 5.300 3.652 3.652 3.652 . 0 0 "[ ]" 1 1035 1 93 TYR HD1 1 96 GLY H 5.000 . 5.300 5.044 5.044 5.044 . 0 0 "[ ]" 1 1036 1 95 ASP HB2 1 97 LYS H 3.400 . 3.500 3.489 3.489 3.489 . 0 0 "[ ]" 1 1037 1 97 LYS H 1 97 LYS HB2 2.700 . 3.500 2.669 2.669 2.669 . 0 0 "[ ]" 1 1038 1 97 LYS H 1 97 LYS HG3 2.800 . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1 1039 1 97 LYS H 1 97 LYS HG2 3.900 . 5.300 2.388 2.388 2.388 . 0 0 "[ ]" 1 1040 1 96 GLY HA3 1 97 LYS H 2.900 . 3.500 3.389 3.389 3.389 . 0 0 "[ ]" 1 1041 1 96 GLY HA2 1 97 LYS H 3.100 . 3.500 3.193 3.193 3.193 . 0 0 "[ ]" 1 1042 1 94 ALA HA 1 97 LYS H 4.000 . 5.300 4.297 4.297 4.297 . 0 0 "[ ]" 1 1043 1 95 ASP HA 1 97 LYS H 3.800 . 5.300 4.227 4.227 4.227 . 0 0 "[ ]" 1 1044 1 93 TYR HA 1 97 LYS H 4.500 . 5.300 3.909 3.909 3.909 . 0 0 "[ ]" 1 1045 1 97 LYS H 1 97 LYS QE 4.200 . 5.300 3.994 3.994 3.994 . 0 0 "[ ]" 1 1046 1 97 LYS H 1 97 LYS HB3 4.000 . 5.300 3.753 3.753 3.753 . 0 0 "[ ]" 1 1047 1 97 LYS HA 1 97 LYS HB3 2.600 . 3.500 2.406 2.406 2.406 . 0 0 "[ ]" 1 1048 1 97 LYS HA 1 98 MET H 3.000 . 3.500 2.212 2.212 2.212 . 0 0 "[ ]" 1 1049 1 98 MET H 1 98 MET HB3 4.200 . 5.300 2.562 2.562 2.562 . 0 0 "[ ]" 1 1050 1 98 MET H 1 98 MET HB2 2.700 . 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 1 1051 1 98 MET H 1 98 MET ME 5.400 . 6.500 5.354 5.354 5.354 . 0 0 "[ ]" 1 1052 1 97 LYS HB3 1 98 MET H 3.000 . 3.500 3.287 3.287 3.287 . 0 0 "[ ]" 1 1053 1 98 MET H 1 101 GLU H 5.000 . 5.300 4.870 4.870 4.870 . 0 0 "[ ]" 1 1054 1 97 LYS QG 1 98 MET H 5.000 . 5.300 4.620 4.620 4.620 . 0 0 "[ ]" 1 1055 1 93 TYR HE1 1 98 MET H 3.600 . 5.300 3.845 3.845 3.845 . 0 0 "[ ]" 1 1056 1 98 MET HA 1 98 MET ME 5.600 . 6.500 4.322 4.322 4.322 . 0 0 "[ ]" 1 1057 1 98 MET HA 1 98 MET HB2 2.800 . 3.500 2.480 2.480 2.480 . 0 0 "[ ]" 1 1058 1 98 MET HA 1 99 VAL HB 4.400 . 5.300 4.595 4.595 4.595 . 0 0 "[ ]" 1 1059 1 98 MET HA 1 101 GLU HB3 5.200 . 6.500 4.971 4.971 4.971 . 0 0 "[ ]" 1 1060 1 98 MET HA 1 101 GLU HB2 5.600 . 6.500 4.656 4.656 4.656 . 0 0 "[ ]" 1 1061 1 99 VAL H 1 99 VAL HA 3.000 . 3.500 2.764 2.764 2.764 . 0 0 "[ ]" 1 1062 1 98 MET HA 1 99 VAL H 2.900 . 3.500 2.254 2.254 2.254 . 0 0 "[ ]" 1 1063 1 93 TYR HA 1 99 VAL H 3.200 . 3.500 2.315 2.315 2.315 . 0 0 "[ ]" 1 1064 1 99 VAL H 1 102 ALA H 5.000 . 5.300 4.857 4.857 4.857 . 0 0 "[ ]" 1 1065 1 98 MET H 1 99 VAL H 4.000 . 5.300 4.283 4.283 4.283 . 0 0 "[ ]" 1 1066 1 99 VAL H 1 100 ASN H 3.000 . 3.500 2.969 2.969 2.969 . 0 0 "[ ]" 1 1067 1 99 VAL H 1 101 GLU H 3.800 . 5.300 4.401 4.401 4.401 . 0 0 "[ ]" 1 1068 1 98 MET HB2 1 99 VAL H 4.800 . 5.300 4.559 4.559 4.559 . 0 0 "[ ]" 1 1069 1 98 MET HB3 1 99 VAL H 4.800 . 5.300 4.445 4.445 4.445 . 0 0 "[ ]" 1 1070 1 99 VAL H 1 99 VAL HB 3.000 . 3.500 2.659 2.659 2.659 . 0 0 "[ ]" 1 1071 1 99 VAL H 1 99 VAL MG2 4.000 . 5.300 2.163 2.163 2.163 . 0 0 "[ ]" 1 1072 1 92 ILE MG 1 99 VAL H 5.300 . 6.500 4.122 4.122 4.122 . 0 0 "[ ]" 1 1073 1 94 ALA MB 1 99 VAL H 6.000 . 6.500 3.961 3.961 3.961 . 0 0 "[ ]" 1 1074 1 65 MET ME 1 99 VAL HA 4.300 . 5.300 2.866 2.866 2.866 . 0 0 "[ ]" 1 1075 1 99 VAL HA 1 102 ALA H 4.000 . 5.300 3.502 3.502 3.502 . 0 0 "[ ]" 1 1076 1 99 VAL HA 1 99 VAL HB 2.600 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1 1077 1 99 VAL HA 1 102 ALA MB 4.400 . 5.300 2.478 2.478 2.478 . 0 0 "[ ]" 1 1078 1 99 VAL HA 1 100 ASN H 4.000 . 5.300 3.569 3.569 3.569 . 0 0 "[ ]" 1 1079 1 98 MET HA 1 100 ASN H 3.700 . 5.300 3.786 3.786 3.786 . 0 0 "[ ]" 1 1080 1 100 ASN H 1 102 ALA H 3.900 . 5.300 3.859 3.859 3.859 . 0 0 "[ ]" 1 1081 1 92 ILE H 1 100 ASN H 3.300 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1 1082 1 36 LEU MD1 1 100 ASN H 5.000 . 5.300 4.139 4.139 4.139 . 0 0 "[ ]" 1 1083 1 92 ILE HB 1 100 ASN H 4.000 . 5.300 3.908 3.908 3.908 . 0 0 "[ ]" 1 1084 1 36 LEU MD2 1 100 ASN H 5.000 . 5.300 3.912 3.912 3.912 . 0 0 "[ ]" 1 1085 1 99 VAL HB 1 100 ASN H 2.800 . 3.500 2.504 2.504 2.504 . 0 0 "[ ]" 1 1086 1 99 VAL MG2 1 100 ASN H 4.700 . 5.300 3.805 3.805 3.805 . 0 0 "[ ]" 1 1087 1 99 VAL MG1 1 100 ASN H 4.700 . 5.300 3.434 3.434 3.434 . 0 0 "[ ]" 1 1088 1 100 ASN H 1 100 ASN HB3 4.000 . 5.300 3.613 3.613 3.613 . 0 0 "[ ]" 1 1089 1 100 ASN H 1 100 ASN HB2 3.200 . 3.500 2.654 2.654 2.654 . 0 0 "[ ]" 1 1090 1 100 ASN H 1 100 ASN HA 2.900 . 3.500 2.860 2.860 2.860 . 0 0 "[ ]" 1 1091 1 100 ASN H 1 101 GLU H 3.000 . 3.500 2.738 2.738 2.738 . 0 0 "[ ]" 1 1092 1 98 MET HB2 1 100 ASN H 5.000 . 5.300 5.048 5.048 5.048 . 0 0 "[ ]" 1 1093 1 98 MET HB3 1 100 ASN H 4.000 . 5.300 4.482 4.482 4.482 . 0 0 "[ ]" 1 1094 1 100 ASN HA 1 100 ASN HB3 2.700 . 3.500 2.415 2.415 2.415 . 0 0 "[ ]" 1 1095 1 100 ASN HA 1 103 LEU HB2 3.600 . 5.300 3.147 3.147 3.147 . 0 0 "[ ]" 1 1096 1 36 LEU HB3 1 100 ASN HD22 4.300 . 5.300 2.823 2.823 2.823 . 0 0 "[ ]" 1 1097 1 36 LEU HB2 1 100 ASN HD22 4.600 . 5.300 4.368 4.368 4.368 . 0 0 "[ ]" 1 1098 1 100 ASN HB3 1 100 ASN HD22 3.700 . 5.300 3.605 3.605 3.605 . 0 0 "[ ]" 1 1099 1 37 LEU HB3 1 100 ASN HD22 4.900 . 5.300 4.732 4.732 4.732 . 0 0 "[ ]" 1 1100 1 36 LEU MD2 1 100 ASN HD22 5.000 . 5.300 2.735 2.735 2.735 . 0 0 "[ ]" 1 1101 1 36 LEU MD1 1 100 ASN HD22 5.400 . 6.500 4.009 4.009 4.009 . 0 0 "[ ]" 1 1102 1 39 VAL MG1 1 100 ASN HD22 6.000 . 6.500 4.770 4.770 4.770 . 0 0 "[ ]" 1 1103 1 36 LEU HB3 1 100 ASN HD21 4.500 . 5.300 3.255 3.255 3.255 . 0 0 "[ ]" 1 1104 1 100 ASN HB3 1 100 ASN HD21 3.100 . 3.500 2.491 2.491 2.491 . 0 0 "[ ]" 1 1105 1 100 ASN HB2 1 100 ASN HD21 3.500 . 5.300 2.841 2.841 2.841 . 0 0 "[ ]" 1 1106 1 37 LEU HB3 1 100 ASN HD21 4.600 . 5.300 4.270 4.270 4.270 . 0 0 "[ ]" 1 1107 1 39 VAL MG1 1 100 ASN HD21 4.800 . 5.300 4.240 4.240 4.240 . 0 0 "[ ]" 1 1108 1 36 LEU MD2 1 100 ASN HD21 4.800 . 5.300 3.935 3.935 3.935 . 0 0 "[ ]" 1 1109 1 101 GLU H 1 102 ALA MB 5.900 . 6.500 4.271 4.271 4.271 . 0 0 "[ ]" 1 1110 1 101 GLU H 1 125 LEU MD1 6.000 . 6.500 5.204 5.204 5.204 . 0 0 "[ ]" 1 1111 1 101 GLU H 1 101 GLU HB2 2.800 . 3.500 2.244 2.244 2.244 . 0 0 "[ ]" 1 1112 1 98 MET ME 1 101 GLU H 5.700 . 6.500 3.780 3.780 3.780 . 0 0 "[ ]" 1 1113 1 101 GLU H 1 125 LEU MD2 4.400 . 5.300 3.727 3.727 3.727 . 0 0 "[ ]" 1 1114 1 101 GLU H 1 101 GLU HB3 3.100 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1 1115 1 100 ASN HB2 1 101 GLU H 3.200 . 3.500 2.486 2.486 2.486 . 0 0 "[ ]" 1 1116 1 100 ASN HB3 1 101 GLU H 3.800 . 5.300 3.710 3.710 3.710 . 0 0 "[ ]" 1 1117 1 100 ASN HA 1 101 GLU H 3.600 . 5.300 3.572 3.572 3.572 . 0 0 "[ ]" 1 1118 1 101 GLU H 1 101 GLU HA 3.000 . 3.500 2.876 2.876 2.876 . 0 0 "[ ]" 1 1119 1 101 GLU H 1 102 ALA H 2.700 . 3.500 2.615 2.615 2.615 . 0 0 "[ ]" 1 1120 1 101 GLU H 1 103 LEU H 3.900 . 5.300 4.611 4.611 4.611 . 0 0 "[ ]" 1 1121 1 101 GLU HA 1 125 LEU MD2 3.500 . 5.300 2.418 2.418 2.418 . 0 0 "[ ]" 1 1122 1 101 GLU HA 1 101 GLU HB2 2.500 . 2.700 2.677 2.677 2.677 . 0 0 "[ ]" 1 1123 1 101 GLU HA 1 104 VAL HB 2.700 . 3.500 2.854 2.854 2.854 . 0 0 "[ ]" 1 1124 1 101 GLU HA 1 104 VAL QG 4.600 . 5.300 2.924 2.924 2.924 . 0 0 "[ ]" 1 1125 1 101 GLU HA 1 101 GLU HB3 2.800 . 3.500 2.984 2.984 2.984 . 0 0 "[ ]" 1 1126 1 101 GLU HB2 1 102 ALA H 3.900 . 5.300 3.937 3.937 3.937 . 0 0 "[ ]" 1 1127 1 102 ALA H 1 125 LEU MD2 6.000 . 6.500 4.944 4.944 4.944 . 0 0 "[ ]" 1 1128 1 101 GLU HB3 1 102 ALA H 2.800 . 3.500 3.300 3.300 3.300 . 0 0 "[ ]" 1 1129 1 101 GLU HA 1 102 ALA H 3.000 . 3.500 3.415 3.415 3.415 . 0 0 "[ ]" 1 1130 1 102 ALA H 1 102 ALA HA 2.700 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1 1131 1 102 ALA H 1 103 LEU HG 4.900 . 5.300 4.893 4.893 4.893 . 0 0 "[ ]" 1 1132 1 61 PHE HE1 1 102 ALA H 5.500 . 6.300 5.046 5.046 5.046 . 0 0 "[ ]" 1 1133 1 102 ALA H 1 104 VAL HB 4.100 . 5.300 5.042 5.042 5.042 . 0 0 "[ ]" 1 1134 1 99 VAL MG1 1 102 ALA H 5.600 . 6.500 4.372 4.372 4.372 . 0 0 "[ ]" 1 1135 1 102 ALA HA 1 105 ARG HB3 2.700 . 3.500 2.898 2.898 2.898 . 0 0 "[ ]" 1 1136 1 103 LEU H 1 103 LEU HA 2.800 . 3.500 2.860 2.860 2.860 . 0 0 "[ ]" 1 1137 1 103 LEU H 1 103 LEU QD 4.200 . 5.300 3.028 3.028 3.028 . 0 0 "[ ]" 1 1138 1 99 VAL HA 1 103 LEU H 3.900 . 5.300 4.199 4.199 4.199 . 0 0 "[ ]" 1 1139 1 103 LEU H 1 103 LEU HB2 2.300 . 2.700 2.318 2.318 2.318 . 0 0 "[ ]" 1 1140 1 103 LEU H 1 103 LEU HG 2.600 . 3.500 2.622 2.622 2.622 . 0 0 "[ ]" 1 1141 1 102 ALA HA 1 103 LEU H 3.000 . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1 1142 1 103 LEU H 1 104 VAL H 2.700 . 3.500 2.640 2.640 2.640 . 0 0 "[ ]" 1 1143 1 102 ALA H 1 103 LEU H 2.800 . 3.500 2.481 2.481 2.481 . 0 0 "[ ]" 1 1144 1 103 LEU H 1 104 VAL HB 5.000 . 5.300 5.106 5.106 5.106 . 0 0 "[ ]" 1 1145 1 101 GLU HB2 1 103 LEU H 5.900 . 6.500 6.193 6.193 6.193 . 0 0 "[ ]" 1 1146 1 102 ALA MB 1 103 LEU H 3.500 . 5.300 2.374 2.374 2.374 . 0 0 "[ ]" 1 1147 1 100 ASN HA 1 103 LEU H 3.600 . 5.300 3.567 3.567 3.567 . 0 0 "[ ]" 1 1148 1 103 LEU HA 1 103 LEU HG 2.700 . 3.500 2.442 2.442 2.442 . 0 0 "[ ]" 1 1149 1 103 LEU HA 1 103 LEU HB2 2.800 . 3.500 3.018 3.018 3.018 . 0 0 "[ ]" 1 1150 1 103 LEU HA 1 106 GLN HB3 5.000 . 5.300 3.896 3.896 3.896 . 0 0 "[ ]" 1 1151 1 103 LEU HA 1 103 LEU MD1 3.900 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 1 1152 1 103 LEU HA 1 108 LEU HB2 3.300 . 3.500 3.214 3.214 3.214 . 0 0 "[ ]" 1 1153 1 103 LEU HA 1 108 LEU MD1 4.500 . 5.300 3.235 3.235 3.235 . 0 0 "[ ]" 1 1154 1 103 LEU HA 1 106 GLN HB2 3.000 . 3.500 2.546 2.546 2.546 . 0 0 "[ ]" 1 1155 1 103 LEU HB2 1 104 VAL H 2.700 . 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 1 1156 1 103 LEU HG 1 104 VAL H 3.500 . 5.300 4.632 4.632 4.632 . 0 0 "[ ]" 1 1157 1 103 LEU HB3 1 104 VAL H 3.600 . 5.300 3.680 3.680 3.680 . 0 0 "[ ]" 1 1158 1 101 GLU HA 1 104 VAL H 3.500 . 5.300 3.644 3.644 3.644 . 0 0 "[ ]" 1 1159 1 104 VAL H 1 104 VAL HB 2.500 . 2.700 2.651 2.651 2.651 . 0 0 "[ ]" 1 1160 1 104 VAL H 1 104 VAL MG2 3.800 . 5.300 1.958 1.958 1.958 . 0 0 "[ ]" 1 1161 1 104 VAL H 1 104 VAL MG1 4.200 . 5.300 3.786 3.786 3.786 . 0 0 "[ ]" 1 1162 1 103 LEU HA 1 104 VAL H 3.600 . 5.300 3.513 3.513 3.513 . 0 0 "[ ]" 1 1163 1 104 VAL HA 1 104 VAL HB 3.000 . 3.500 3.026 3.026 3.026 . 0 0 "[ ]" 1 1164 1 100 ASN HA 1 104 VAL H 5.000 . 5.300 4.184 4.184 4.184 . 0 0 "[ ]" 1 1165 1 102 ALA HA 1 104 VAL H 4.500 . 5.300 4.183 4.183 4.183 . 0 0 "[ ]" 1 1166 1 103 LEU MD1 1 104 VAL H 5.500 . 6.500 4.532 4.532 4.532 . 0 0 "[ ]" 1 1167 1 39 VAL MG1 1 104 VAL H 5.000 . 5.300 4.280 4.280 4.280 . 0 0 "[ ]" 1 1168 1 102 ALA H 1 104 VAL H 3.500 . 5.300 3.610 3.610 3.610 . 0 0 "[ ]" 1 1169 1 104 VAL H 1 105 ARG H 2.700 . 3.500 2.483 2.483 2.483 . 0 0 "[ ]" 1 1170 1 104 VAL H 1 106 GLN H 4.500 . 5.300 3.643 3.643 3.643 . 0 0 "[ ]" 1 1171 1 39 VAL MG1 1 104 VAL HA 5.900 . 6.500 4.562 4.562 4.562 . 0 0 "[ ]" 1 1172 1 105 ARG H 1 106 GLN H 2.900 . 3.500 2.561 2.561 2.561 . 0 0 "[ ]" 1 1173 1 103 LEU H 1 105 ARG H 4.500 . 5.300 4.277 4.277 4.277 . 0 0 "[ ]" 1 1174 1 105 ARG H 1 107 GLY H 3.700 . 5.300 4.148 4.148 4.148 . 0 0 "[ ]" 1 1175 1 105 ARG H 1 105 ARG HB3 2.600 . 2.700 2.594 2.594 2.594 . 0 0 "[ ]" 1 1176 1 104 VAL HB 1 105 ARG H 2.600 . 2.700 2.508 2.508 2.508 . 0 0 "[ ]" 1 1177 1 104 VAL MG2 1 105 ARG H 4.600 . 5.300 3.622 3.622 3.622 . 0 0 "[ ]" 1 1178 1 105 ARG H 1 106 GLN HB2 5.000 . 5.300 4.410 4.410 4.410 . 0 0 "[ ]" 1 1179 1 105 ARG H 1 105 ARG HA 2.800 . 3.500 2.898 2.898 2.898 . 0 0 "[ ]" 1 1180 1 102 ALA HA 1 105 ARG H 3.000 . 3.500 3.479 3.479 3.479 . 0 0 "[ ]" 1 1181 1 101 GLU HA 1 105 ARG H 3.900 . 5.300 3.706 3.706 3.706 . 0 0 "[ ]" 1 1182 1 103 LEU HB2 1 105 ARG H 5.000 . 5.300 5.292 5.292 5.292 . 0 0 "[ ]" 1 1183 1 105 ARG H 1 106 GLN HA 5.500 . 6.500 5.170 5.170 5.170 . 0 0 "[ ]" 1 1184 1 104 VAL HA 1 105 ARG H 4.000 . 5.300 3.563 3.563 3.563 . 0 0 "[ ]" 1 1185 1 105 ARG H 1 128 SER QB 5.000 . 5.300 3.186 3.186 3.186 . 0 0 "[ ]" 1 1186 1 106 GLN H 1 106 GLN HB3 3.600 . 5.300 3.490 3.490 3.490 . 0 0 "[ ]" 1 1187 1 105 ARG HB3 1 106 GLN H 3.700 . 5.300 3.308 3.308 3.308 . 0 0 "[ ]" 1 1188 1 106 GLN H 1 106 GLN HB2 2.700 . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 1 1189 1 106 GLN H 1 106 GLN QG 4.000 . 5.300 3.212 3.212 3.212 . 0 0 "[ ]" 1 1190 1 103 LEU HA 1 106 GLN H 3.900 . 5.300 3.623 3.623 3.623 . 0 0 "[ ]" 1 1191 1 105 ARG HA 1 106 GLN H 3.800 . 5.300 3.386 3.386 3.386 . 0 0 "[ ]" 1 1192 1 106 GLN H 1 108 LEU H 3.700 . 5.300 3.648 3.648 3.648 . 0 0 "[ ]" 1 1193 1 106 GLN HA 1 106 GLN HB3 2.900 . 3.500 2.706 2.706 2.706 . 0 0 "[ ]" 1 1194 1 105 ARG HB3 1 106 GLN HA 4.000 . 5.300 4.417 4.417 4.417 . 0 0 "[ ]" 1 1195 1 107 GLY H 1 109 ALA H 3.500 . 5.300 3.737 3.737 3.737 . 0 0 "[ ]" 1 1196 1 106 GLN H 1 107 GLY H 2.800 . 3.500 2.247 2.247 2.247 . 0 0 "[ ]" 1 1197 1 107 GLY H 1 108 LEU H 2.700 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1 1198 1 107 GLY H 1 107 GLY HA3 2.900 . 3.500 2.938 2.938 2.938 . 0 0 "[ ]" 1 1199 1 107 GLY H 1 107 GLY HA2 2.700 . 3.500 2.378 2.378 2.378 . 0 0 "[ ]" 1 1200 1 105 ARG HB3 1 107 GLY H 3.600 . 5.300 5.166 5.166 5.166 . 0 0 "[ ]" 1 1201 1 104 VAL MG1 1 107 GLY H 5.400 . 6.500 4.456 4.456 4.456 . 0 0 "[ ]" 1 1202 1 106 GLN HB2 1 107 GLY H 3.600 . 5.300 3.382 3.382 3.382 . 0 0 "[ ]" 1 1203 1 107 GLY H 1 132 ALA MB 4.300 . 5.300 2.933 2.933 2.933 . 0 0 "[ ]" 1 1204 1 107 GLY H 1 108 LEU HB2 5.000 . 5.300 4.775 4.775 4.775 . 0 0 "[ ]" 1 1205 1 107 GLY HA3 1 138 ASN HB2 3.300 . 3.500 3.238 3.238 3.238 . 0 0 "[ ]" 1 1206 1 108 LEU H 1 109 ALA H 2.500 . 2.700 2.036 2.036 2.036 . 0 0 "[ ]" 1 1207 1 108 LEU H 1 108 LEU HG 2.900 . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1 1208 1 108 LEU H 1 108 LEU HB2 3.000 . 3.500 2.734 2.734 2.734 . 0 0 "[ ]" 1 1209 1 108 LEU H 1 108 LEU HB3 3.600 . 5.300 3.822 3.822 3.822 . 0 0 "[ ]" 1 1210 1 103 LEU HA 1 108 LEU H 3.800 . 5.300 4.063 4.063 4.063 . 0 0 "[ ]" 1 1211 1 107 GLY HA3 1 108 LEU H 3.500 . 5.300 3.527 3.527 3.527 . 0 0 "[ ]" 1 1212 1 108 LEU H 1 108 LEU MD1 5.000 . 5.300 3.767 3.767 3.767 . 0 0 "[ ]" 1 1213 1 108 LEU H 1 108 LEU MD2 4.600 . 5.300 3.723 3.723 3.723 . 0 0 "[ ]" 1 1214 1 108 LEU HA 1 108 LEU MD2 4.200 . 5.300 2.287 2.287 2.287 . 0 0 "[ ]" 1 1215 1 108 LEU HA 1 108 LEU HG 3.500 . 5.300 3.018 3.018 3.018 . 0 0 "[ ]" 1 1216 1 108 LEU HA 1 109 ALA H 3.200 . 3.500 3.269 3.269 3.269 . 0 0 "[ ]" 1 1217 1 104 VAL HA 1 109 ALA H 3.500 . 5.300 3.042 3.042 3.042 . 0 0 "[ ]" 1 1218 1 108 LEU HG 1 109 ALA H 4.300 . 5.300 4.364 4.364 4.364 . 0 0 "[ ]" 1 1219 1 109 ALA H 1 139 ILE MD 4.800 . 5.300 3.815 3.815 3.815 . 0 0 "[ ]" 1 1220 1 109 ALA H 1 139 ILE HG12 4.600 . 5.300 5.162 5.162 5.162 . 0 0 "[ ]" 1 1221 1 108 LEU MD2 1 109 ALA H 5.500 . 6.500 4.723 4.723 4.723 . 0 0 "[ ]" 1 1222 1 103 LEU HA 1 109 ALA H 5.400 . 6.500 5.071 5.071 5.071 . 0 0 "[ ]" 1 1223 1 108 LEU HB3 1 109 ALA H 5.400 . 6.500 4.404 4.404 4.404 . 0 0 "[ ]" 1 1224 1 41 THR MG 1 109 ALA HA 5.200 . 5.300 3.545 3.545 3.545 . 0 0 "[ ]" 1 1225 1 110 LYS H 1 139 ILE MD 6.000 . 6.500 5.067 5.067 5.067 . 0 0 "[ ]" 1 1226 1 110 LYS H 1 110 LYS QB 2.800 . 3.500 2.532 2.532 2.532 . 0 0 "[ ]" 1 1227 1 109 ALA MB 1 110 LYS H 4.000 . 5.300 2.909 2.909 2.909 . 0 0 "[ ]" 1 1228 1 109 ALA HA 1 110 LYS H 3.000 . 3.500 2.280 2.280 2.280 . 0 0 "[ ]" 1 1229 1 40 ASP HB2 1 110 LYS H 3.200 . 3.500 3.441 3.441 3.441 . 0 0 "[ ]" 1 1230 1 40 ASP HB3 1 110 LYS H 4.000 . 5.300 3.628 3.628 3.628 . 0 0 "[ ]" 1 1231 1 40 ASP H 1 110 LYS H 3.300 . 3.500 3.203 3.203 3.203 . 0 0 "[ ]" 1 1232 1 110 LYS HA 1 110 LYS QB 2.500 . 2.700 2.358 2.358 2.358 . 0 0 "[ ]" 1 1233 1 110 LYS H 1 111 VAL H 4.600 . 5.300 4.564 4.564 4.564 . 0 0 "[ ]" 1 1234 1 110 LYS HA 1 111 VAL H 2.800 . 3.500 2.344 2.344 2.344 . 0 0 "[ ]" 1 1235 1 110 LYS QB 1 111 VAL H 3.300 . 3.500 2.695 2.695 2.695 . 0 0 "[ ]" 1 1236 1 111 VAL H 1 111 VAL HB 2.600 . 3.500 2.638 2.638 2.638 . 0 0 "[ ]" 1 1237 1 111 VAL H 1 111 VAL MG2 4.000 . 5.300 2.089 2.089 2.089 . 0 0 "[ ]" 1 1238 1 111 VAL H 1 111 VAL MG1 4.000 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 1 1239 1 39 VAL HA 1 112 ALA H 3.100 . 3.500 2.487 2.487 2.487 . 0 0 "[ ]" 1 1240 1 111 VAL HA 1 112 ALA H 3.200 . 3.500 2.189 2.189 2.189 . 0 0 "[ ]" 1 1241 1 111 VAL HB 1 112 ALA H 3.600 . 5.300 4.218 4.218 4.218 . 0 0 "[ ]" 1 1242 1 112 ALA H 1 112 ALA MB 3.000 . 3.500 2.098 2.098 2.098 . 0 0 "[ ]" 1 1243 1 39 VAL H 1 112 ALA H 4.500 . 5.300 3.261 3.261 3.261 . 0 0 "[ ]" 1 1244 1 111 VAL H 1 112 ALA H 4.600 . 5.300 4.548 4.548 4.548 . 0 0 "[ ]" 1 1245 1 112 ALA H 1 114 VAL MG2 5.400 . 6.500 5.166 5.166 5.166 . 0 0 "[ ]" 1 1246 1 39 VAL MG1 1 112 ALA H 5.000 . 5.300 4.180 4.180 4.180 . 0 0 "[ ]" 1 1247 1 39 VAL HB 1 112 ALA H 5.000 . 5.300 4.985 4.985 4.985 . 0 0 "[ ]" 1 1248 1 38 LEU HA 1 112 ALA H 3.600 . 5.300 3.075 3.075 3.075 . 0 0 "[ ]" 1 1249 1 112 ALA HA 1 113 TYR H 2.500 . 2.700 2.420 2.420 2.420 . 0 0 "[ ]" 1 1250 1 113 TYR H 1 113 TYR HA 3.000 . 3.500 2.764 2.764 2.764 . 0 0 "[ ]" 1 1251 1 113 TYR H 1 113 TYR HB3 2.900 . 3.500 3.485 3.485 3.485 . 0 0 "[ ]" 1 1252 1 113 TYR H 1 113 TYR HB2 2.900 . 3.500 2.165 2.165 2.165 . 0 0 "[ ]" 1 1253 1 113 TYR H 1 114 VAL MG2 6.000 . 6.500 5.193 5.193 5.193 . 0 0 "[ ]" 1 1254 1 113 TYR H 1 114 VAL H 4.800 . 5.300 4.681 4.681 4.681 . 0 0 "[ ]" 1 1255 1 112 ALA MB 1 113 TYR H 3.800 . 5.300 2.619 2.619 2.619 . 0 0 "[ ]" 1 1256 1 113 TYR H 1 113 TYR HD1 5.000 . 5.300 2.751 2.751 2.751 . 0 0 "[ ]" 1 1257 1 113 TYR HB3 1 113 TYR HD2 3.500 . 5.300 2.422 2.422 2.422 . 0 0 "[ ]" 1 1258 1 113 TYR HB2 1 113 TYR HD1 3.700 . 5.300 2.472 2.472 2.472 . 0 0 "[ ]" 1 1259 1 113 TYR HA 1 113 TYR HD2 2.900 . 3.500 3.245 3.245 3.245 . 0 0 "[ ]" 1 1260 1 113 TYR HA 1 113 TYR HE2 5.300 . 6.500 4.847 4.847 4.847 . 0 0 "[ ]" 1 1261 1 114 VAL H 1 114 VAL MG2 3.900 . 5.300 2.598 2.598 2.598 . 0 0 "[ ]" 1 1262 1 114 VAL H 1 114 VAL HB 2.600 . 2.700 2.468 2.468 2.468 . 0 0 "[ ]" 1 1263 1 113 TYR HB3 1 114 VAL H 4.000 . 5.300 3.120 3.120 3.120 . 0 0 "[ ]" 1 1264 1 113 TYR HB2 1 114 VAL H 4.600 . 5.300 4.277 4.277 4.277 . 0 0 "[ ]" 1 1265 1 113 TYR HA 1 114 VAL H 2.600 . 2.700 2.284 2.284 2.284 . 0 0 "[ ]" 1 1266 1 38 LEU MD2 1 114 VAL HA 4.100 . 5.300 2.702 2.702 2.702 . 0 0 "[ ]" 1 1267 1 114 VAL HA 1 114 VAL HB 3.000 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1 1268 1 111 VAL MG1 1 114 VAL MG2 6.000 . 6.500 2.678 2.678 2.678 . 0 0 "[ ]" 1 1269 1 114 VAL MG1 1 115 TYR H 4.300 . 5.300 2.818 2.818 2.818 . 0 0 "[ ]" 1 1270 1 114 VAL HB 1 115 TYR H 3.900 . 5.300 4.349 4.349 4.349 . 0 0 "[ ]" 1 1271 1 115 TYR H 1 115 TYR HB2 2.800 . 3.500 2.566 2.566 2.566 . 0 0 "[ ]" 1 1272 1 115 TYR H 1 115 TYR HB3 3.700 . 5.300 3.726 3.726 3.726 . 0 0 "[ ]" 1 1273 1 114 VAL HA 1 115 TYR H 2.400 . 2.700 2.195 2.195 2.195 . 0 0 "[ ]" 1 1274 1 114 VAL H 1 115 TYR H 4.600 . 5.300 4.400 4.400 4.400 . 0 0 "[ ]" 1 1275 1 115 TYR H 1 116 LYS H 4.500 . 5.300 4.215 4.215 4.215 . 0 0 "[ ]" 1 1276 1 38 LEU MD2 1 115 TYR H 5.000 . 5.300 3.301 3.301 3.301 . 0 0 "[ ]" 1 1277 1 115 TYR HA 1 115 TYR HB3 2.800 . 3.500 2.606 2.606 2.606 . 0 0 "[ ]" 1 1278 1 115 TYR HA 1 115 TYR HD1 4.000 . 5.300 2.551 2.551 2.551 . 0 0 "[ ]" 1 1279 1 115 TYR H 1 115 TYR HD2 5.300 . 6.500 3.547 3.547 3.547 . 0 0 "[ ]" 1 1280 1 113 TYR HB3 1 115 TYR HD1 5.000 . 5.300 5.718 5.718 5.718 0.418 1 0 "[ ]" 1 1281 1 113 TYR HB3 1 115 TYR HE1 3.700 . 5.300 5.437 5.437 5.437 0.137 1 0 "[ ]" 1 1282 1 115 TYR HA 1 116 LYS H 2.700 . 3.500 2.181 2.181 2.181 . 0 0 "[ ]" 1 1283 1 115 TYR HD2 1 116 LYS H 5.500 . 6.500 6.100 6.100 6.100 . 0 0 "[ ]" 1 1284 1 115 TYR HB3 1 116 LYS H 3.800 . 5.300 3.576 3.576 3.576 . 0 0 "[ ]" 1 1285 1 116 LYS H 1 116 LYS HG2 3.100 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1 1286 1 116 LYS H 1 116 LYS HG3 3.500 . 5.300 2.037 2.037 2.037 . 0 0 "[ ]" 1 1287 1 116 LYS H 1 116 LYS QB 3.600 . 5.300 2.686 2.686 2.686 . 0 0 "[ ]" 1 1288 1 116 LYS H 1 116 LYS QD 4.600 . 5.300 3.876 3.876 3.876 . 0 0 "[ ]" 1 1289 1 116 LYS H 1 116 LYS HA 3.000 . 3.500 2.835 2.835 2.835 . 0 0 "[ ]" 1 1290 1 114 VAL MG1 1 116 LYS H 5.700 . 6.500 3.915 3.915 3.915 . 0 0 "[ ]" 1 1291 1 118 ASN H 1 118 ASN HB2 2.600 . 3.500 2.201 2.201 2.201 . 0 0 "[ ]" 1 1292 1 116 LYS QB 1 118 ASN H 5.000 . 5.300 4.293 4.293 4.293 . 0 0 "[ ]" 1 1293 1 116 LYS HA 1 118 ASN H 2.800 . 3.500 2.910 2.910 2.910 . 0 0 "[ ]" 1 1294 1 117 PRO QD 1 118 ASN H 5.800 . 6.500 2.367 2.367 2.367 . 0 0 "[ ]" 1 1295 1 118 ASN HA 1 118 ASN HB2 2.700 . 3.500 2.973 2.973 2.973 . 0 0 "[ ]" 1 1296 1 37 LEU MD1 1 118 ASN HA 5.300 . 6.500 4.413 4.413 4.413 . 0 0 "[ ]" 1 1297 1 37 LEU MD2 1 118 ASN HA 5.700 . 6.500 4.670 4.670 4.670 . 0 0 "[ ]" 1 1298 1 89 LEU QD 1 118 ASN HD21 5.600 . 6.500 3.626 3.626 3.626 . 0 0 "[ ]" 1 1299 1 37 LEU MD1 1 118 ASN HD21 5.200 . 5.300 3.673 3.673 3.673 . 0 0 "[ ]" 1 1300 1 37 LEU MD2 1 118 ASN HD21 4.600 . 5.300 3.460 3.460 3.460 . 0 0 "[ ]" 1 1301 1 80 GLN HB3 1 118 ASN HD21 5.600 . 6.500 5.857 5.857 5.857 . 0 0 "[ ]" 1 1302 1 77 ASP HB2 1 118 ASN HD21 5.400 . 6.500 6.163 6.163 6.163 . 0 0 "[ ]" 1 1303 1 118 ASN HB2 1 118 ASN HD21 2.900 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1 1304 1 89 LEU MD1 1 118 ASN HD22 5.200 . 5.300 3.264 3.264 3.264 . 0 0 "[ ]" 1 1305 1 37 LEU MD1 1 118 ASN HD22 6.000 . 6.500 2.772 2.772 2.772 . 0 0 "[ ]" 1 1306 1 37 LEU MD2 1 118 ASN HD22 5.800 . 6.500 3.455 3.455 3.455 . 0 0 "[ ]" 1 1307 1 80 GLN HB3 1 118 ASN HD22 4.400 . 5.300 5.145 5.145 5.145 . 0 0 "[ ]" 1 1308 1 80 GLN QG 1 118 ASN HD22 5.500 . 6.500 4.988 4.988 4.988 . 0 0 "[ ]" 1 1309 1 118 ASN HB2 1 118 ASN HD22 3.400 . 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 1 1310 1 119 ASN H 1 120 THR HA 3.900 . 5.300 4.124 4.124 4.124 . 0 0 "[ ]" 1 1311 1 116 LYS HA 1 119 ASN H 3.900 . 5.300 4.651 4.651 4.651 . 0 0 "[ ]" 1 1312 1 118 ASN HA 1 119 ASN H 2.700 . 3.500 2.276 2.276 2.276 . 0 0 "[ ]" 1 1313 1 119 ASN H 1 119 ASN HB3 3.200 . 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1 1314 1 118 ASN H 1 119 ASN H 3.800 . 5.300 4.244 4.244 4.244 . 0 0 "[ ]" 1 1315 1 114 VAL MG1 1 119 ASN HA 4.600 . 5.300 3.344 3.344 3.344 . 0 0 "[ ]" 1 1316 1 38 LEU MD2 1 119 ASN HA 4.600 . 5.300 3.654 3.654 3.654 . 0 0 "[ ]" 1 1317 1 38 LEU MD1 1 119 ASN HA 4.500 . 5.300 2.649 2.649 2.649 . 0 0 "[ ]" 1 1318 1 119 ASN HB3 1 119 ASN HD22 3.600 . 5.300 3.747 3.747 3.747 . 0 0 "[ ]" 1 1319 1 119 ASN HB2 1 119 ASN HD22 3.500 . 5.300 3.618 3.618 3.618 . 0 0 "[ ]" 1 1320 1 116 LYS HG2 1 119 ASN HD22 4.900 . 5.300 3.731 3.731 3.731 . 0 0 "[ ]" 1 1321 1 114 VAL QG 1 119 ASN HD22 4.500 . 5.300 1.788 1.788 1.788 0.012 1 0 "[ ]" 1 1322 1 119 ASN HB3 1 119 ASN HD21 3.300 . 3.500 2.823 2.823 2.823 . 0 0 "[ ]" 1 1323 1 119 ASN HB2 1 119 ASN HD21 3.200 . 3.500 2.506 2.506 2.506 . 0 0 "[ ]" 1 1324 1 114 VAL MG1 1 119 ASN HD21 5.400 . 6.500 2.911 2.911 2.911 . 0 0 "[ ]" 1 1325 1 116 LYS HG2 1 119 ASN HD21 4.700 . 5.300 2.748 2.748 2.748 . 0 0 "[ ]" 1 1326 1 114 VAL QG 1 119 ASN HD21 4.000 . 5.300 2.896 2.896 2.896 . 0 0 "[ ]" 1 1327 1 120 THR H 1 120 THR HA 3.000 . 3.500 2.907 2.907 2.907 . 0 0 "[ ]" 1 1328 1 77 ASP HA 1 120 THR H 6.000 . 6.500 6.167 6.167 6.167 . 0 0 "[ ]" 1 1329 1 119 ASN HA 1 120 THR H 3.600 . 5.300 2.899 2.899 2.899 . 0 0 "[ ]" 1 1330 1 120 THR H 1 121 HIS H 5.000 . 5.300 2.904 2.904 2.904 . 0 0 "[ ]" 1 1331 1 120 THR H 1 122 GLU H 4.500 . 5.300 4.378 4.378 4.378 . 0 0 "[ ]" 1 1332 1 119 ASN H 1 120 THR H 2.700 . 3.500 2.170 2.170 2.170 . 0 0 "[ ]" 1 1333 1 78 LYS HG3 1 120 THR H 5.700 . 6.500 6.501 6.501 6.501 0.001 1 0 "[ ]" 1 1334 1 7 LEU MD1 1 120 THR HB 5.600 . 6.500 4.494 4.494 4.494 . 0 0 "[ ]" 1 1335 1 121 HIS H 1 121 HIS HB2 3.400 . 3.500 2.350 2.350 2.350 . 0 0 "[ ]" 1 1336 1 120 THR HA 1 121 HIS H 3.100 . 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 1 1337 1 121 HIS H 1 121 HIS HB3 4.200 . 5.300 3.614 3.614 3.614 . 0 0 "[ ]" 1 1338 1 120 THR HB 1 121 HIS H 3.700 . 5.300 1.874 1.874 1.874 . 0 0 "[ ]" 1 1339 1 120 THR MG 1 121 HIS H 5.300 . 6.500 3.288 3.288 3.288 . 0 0 "[ ]" 1 1340 1 91 TYR QE 1 121 HIS H 4.500 . 5.300 3.989 3.989 3.989 . 0 0 "[ ]" 1 1341 1 38 LEU MD1 1 121 HIS H 4.600 . 5.300 3.386 3.386 3.386 . 0 0 "[ ]" 1 1342 1 121 HIS HA 1 121 HIS HB3 2.500 . 2.700 2.557 2.557 2.557 . 0 0 "[ ]" 1 1343 1 120 THR MG 1 121 HIS HA 4.600 . 5.300 4.003 4.003 4.003 . 0 0 "[ ]" 1 1344 1 121 HIS HA 1 124 LEU MD2 5.500 . 6.500 3.854 3.854 3.854 . 0 0 "[ ]" 1 1345 1 121 HIS HA 1 124 LEU HB3 2.700 . 3.500 3.137 3.137 3.137 . 0 0 "[ ]" 1 1346 1 120 THR MG 1 121 HIS HD2 5.500 . 6.500 2.852 2.852 2.852 . 0 0 "[ ]" 1 1347 1 121 HIS HB2 1 121 HIS HD2 3.200 . 3.500 2.877 2.877 2.877 . 0 0 "[ ]" 1 1348 1 98 MET ME 1 121 HIS HD2 4.100 . 5.300 3.232 3.232 3.232 . 0 0 "[ ]" 1 1349 1 122 GLU H 1 122 GLU HA 2.800 . 3.500 2.950 2.950 2.950 . 0 0 "[ ]" 1 1350 1 122 GLU H 1 122 GLU HB2 2.800 . 3.500 2.575 2.575 2.575 . 0 0 "[ ]" 1 1351 1 122 GLU H 1 122 GLU HB3 2.700 . 3.500 2.673 2.673 2.673 . 0 0 "[ ]" 1 1352 1 122 GLU H 1 125 LEU MD1 6.000 . 6.500 5.158 5.158 5.158 . 0 0 "[ ]" 1 1353 1 119 ASN HA 1 122 GLU H 3.800 . 5.300 4.247 4.247 4.247 . 0 0 "[ ]" 1 1354 1 121 HIS HA 1 122 GLU H 3.000 . 3.500 2.709 2.709 2.709 . 0 0 "[ ]" 1 1355 1 122 GLU H 1 123 GLN H 2.900 . 3.500 2.674 2.674 2.674 . 0 0 "[ ]" 1 1356 1 121 HIS H 1 122 GLU H 3.000 . 3.500 3.405 3.405 3.405 . 0 0 "[ ]" 1 1357 1 121 HIS HB3 1 122 GLU H 4.800 . 5.300 4.402 4.402 4.402 . 0 0 "[ ]" 1 1358 1 38 LEU MD1 1 122 GLU H 4.600 . 5.300 3.943 3.943 3.943 . 0 0 "[ ]" 1 1359 1 120 THR HA 1 122 GLU H 3.800 . 5.300 4.013 4.013 4.013 . 0 0 "[ ]" 1 1360 1 120 THR MG 1 122 GLU H 6.000 . 6.500 4.715 4.715 4.715 . 0 0 "[ ]" 1 1361 1 122 GLU HA 1 122 GLU HB2 2.500 . 2.700 2.566 2.566 2.566 . 0 0 "[ ]" 1 1362 1 122 GLU HA 1 122 GLU HB3 2.900 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1 1363 1 122 GLU HA 1 125 LEU HB2 3.000 . 3.500 2.816 2.816 2.816 . 0 0 "[ ]" 1 1364 1 122 GLU HB2 1 123 GLN H 3.700 . 5.300 3.470 3.470 3.470 . 0 0 "[ ]" 1 1365 1 123 GLN H 1 124 LEU H 2.800 . 3.500 2.822 2.822 2.822 . 0 0 "[ ]" 1 1366 1 123 GLN H 1 123 GLN HB3 3.800 . 5.300 3.610 3.610 3.610 . 0 0 "[ ]" 1 1367 1 123 GLN H 1 123 GLN HB2 2.500 . 2.700 2.403 2.403 2.403 . 0 0 "[ ]" 1 1368 1 123 GLN H 1 123 GLN HA 3.000 . 3.500 2.796 2.796 2.796 . 0 0 "[ ]" 1 1369 1 123 GLN H 1 125 LEU H 4.500 . 5.300 4.374 4.374 4.374 . 0 0 "[ ]" 1 1370 1 123 GLN H 1 124 LEU HB3 5.000 . 5.300 5.070 5.070 5.070 . 0 0 "[ ]" 1 1371 1 121 HIS HA 1 123 GLN H 3.800 . 5.300 4.536 4.536 4.536 . 0 0 "[ ]" 1 1372 1 122 GLU HA 1 123 GLN H 3.700 . 5.300 3.586 3.586 3.586 . 0 0 "[ ]" 1 1373 1 123 GLN HA 1 123 GLN HB2 2.600 . 3.500 3.019 3.019 3.019 . 0 0 "[ ]" 1 1374 1 123 GLN HA 1 123 GLN HB3 2.100 . 2.700 2.583 2.583 2.583 . 0 0 "[ ]" 1 1375 1 123 GLN HA 1 126 ARG HB2 2.700 . 3.500 2.526 2.526 2.526 . 0 0 "[ ]" 1 1376 1 123 GLN HB3 1 124 LEU H 4.700 . 5.300 3.598 3.598 3.598 . 0 0 "[ ]" 1 1377 1 123 GLN HB2 1 124 LEU H 2.800 . 3.500 2.808 2.808 2.808 . 0 0 "[ ]" 1 1378 1 124 LEU H 1 124 LEU HB3 2.500 . 2.700 2.513 2.513 2.513 . 0 0 "[ ]" 1 1379 1 123 GLN HA 1 124 LEU H 3.600 . 5.300 3.533 3.533 3.533 . 0 0 "[ ]" 1 1380 1 124 LEU H 1 124 LEU MD2 5.100 . 5.300 4.170 4.170 4.170 . 0 0 "[ ]" 1 1381 1 124 LEU H 1 124 LEU MD1 5.100 . 5.300 4.226 4.226 4.226 . 0 0 "[ ]" 1 1382 1 124 LEU H 1 124 LEU HG 3.900 . 5.300 4.398 4.398 4.398 . 0 0 "[ ]" 1 1383 1 121 HIS HA 1 124 LEU H 5.200 . 5.300 3.524 3.524 3.524 . 0 0 "[ ]" 1 1384 1 124 LEU H 1 125 LEU H 3.500 . 5.300 2.668 2.668 2.668 . 0 0 "[ ]" 1 1385 1 124 LEU HA 1 124 LEU HB3 3.000 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1 1386 1 124 LEU HA 1 127 LYS HB2 2.700 . 3.500 2.904 2.904 2.904 . 0 0 "[ ]" 1 1387 1 124 LEU HA 1 124 LEU MD1 4.100 . 5.300 2.863 2.863 2.863 . 0 0 "[ ]" 1 1388 1 124 LEU HA 1 124 LEU MD2 4.100 . 5.300 3.759 3.759 3.759 . 0 0 "[ ]" 1 1389 1 125 LEU H 1 125 LEU HA 3.000 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 1 1390 1 125 LEU H 1 125 LEU HB2 2.600 . 3.500 2.262 2.262 2.262 . 0 0 "[ ]" 1 1391 1 125 LEU H 1 125 LEU HG 2.400 . 2.700 2.700 2.700 2.700 . 0 0 "[ ]" 1 1392 1 125 LEU H 1 125 LEU HB3 3.500 . 5.300 3.562 3.562 3.562 . 0 0 "[ ]" 1 1393 1 122 GLU HA 1 125 LEU H 3.400 . 3.500 3.373 3.373 3.373 . 0 0 "[ ]" 1 1394 1 125 LEU H 1 126 ARG H 3.000 . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 1 1395 1 124 LEU HA 1 125 LEU H 3.600 . 5.300 3.559 3.559 3.559 . 0 0 "[ ]" 1 1396 1 124 LEU HB3 1 125 LEU H 2.400 . 2.700 2.584 2.584 2.584 . 0 0 "[ ]" 1 1397 1 111 VAL MG2 1 125 LEU H 6.000 . 6.500 4.706 4.706 4.706 . 0 0 "[ ]" 1 1398 1 125 LEU HA 1 125 LEU MD2 4.300 . 5.300 1.928 1.928 1.928 . 0 0 "[ ]" 1 1399 1 125 LEU HA 1 125 LEU HG 3.500 . 5.300 2.774 2.774 2.774 . 0 0 "[ ]" 1 1400 1 126 ARG H 1 126 ARG HB3 3.600 . 5.300 3.091 3.091 3.091 . 0 0 "[ ]" 1 1401 1 125 LEU HA 1 126 ARG H 3.000 . 3.500 3.486 3.486 3.486 . 0 0 "[ ]" 1 1402 1 126 ARG H 1 127 LYS H 3.000 . 3.500 2.512 2.512 2.512 . 0 0 "[ ]" 1 1403 1 124 LEU H 1 126 ARG H 4.500 . 5.300 3.896 3.896 3.896 . 0 0 "[ ]" 1 1404 1 126 ARG H 1 126 ARG HA 2.900 . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 1 1405 1 125 LEU HG 1 126 ARG H 4.000 . 5.300 4.716 4.716 4.716 . 0 0 "[ ]" 1 1406 1 111 VAL MG2 1 126 ARG H 5.600 . 6.500 4.012 4.012 4.012 . 0 0 "[ ]" 1 1407 1 124 LEU HB3 1 126 ARG H 5.800 . 6.500 4.789 4.789 4.789 . 0 0 "[ ]" 1 1408 1 125 LEU HB2 1 126 ARG H 2.900 . 3.500 3.060 3.060 3.060 . 0 0 "[ ]" 1 1409 1 125 LEU HB3 1 126 ARG H 4.500 . 5.300 3.718 3.718 3.718 . 0 0 "[ ]" 1 1410 1 126 ARG H 1 126 ARG HB2 2.700 . 3.500 2.163 2.163 2.163 . 0 0 "[ ]" 1 1411 1 122 GLU HA 1 126 ARG H 4.200 . 5.300 4.485 4.485 4.485 . 0 0 "[ ]" 1 1412 1 124 LEU HA 1 126 ARG H 4.000 . 5.300 4.054 4.054 4.054 . 0 0 "[ ]" 1 1413 1 125 LEU MD1 1 126 ARG H 5.400 . 6.500 4.929 4.929 4.929 . 0 0 "[ ]" 1 1414 1 123 GLN HB2 1 126 ARG H 5.500 . 6.500 5.432 5.432 5.432 . 0 0 "[ ]" 1 1415 1 126 ARG HA 1 126 ARG HB2 2.800 . 3.500 2.772 2.772 2.772 . 0 0 "[ ]" 1 1416 1 126 ARG HA 1 129 GLU HB2 4.000 . 5.300 3.761 3.761 3.761 . 0 0 "[ ]" 1 1417 1 127 LYS H 1 128 SER H 2.700 . 3.500 2.605 2.605 2.605 . 0 0 "[ ]" 1 1418 1 125 LEU H 1 127 LYS H 4.500 . 5.300 4.195 4.195 4.195 . 0 0 "[ ]" 1 1419 1 127 LYS H 1 127 LYS HA 2.700 . 3.500 2.894 2.894 2.894 . 0 0 "[ ]" 1 1420 1 127 LYS H 1 127 LYS HB2 2.400 . 2.700 2.108 2.108 2.108 . 0 0 "[ ]" 1 1421 1 127 LYS H 1 129 GLU HB2 5.800 . 6.500 6.029 6.029 6.029 . 0 0 "[ ]" 1 1422 1 127 LYS H 1 127 LYS QD 4.700 . 5.300 3.546 3.546 3.546 . 0 0 "[ ]" 1 1423 1 126 ARG HB3 1 127 LYS H 4.000 . 5.300 2.922 2.922 2.922 . 0 0 "[ ]" 1 1424 1 127 LYS H 1 129 GLU H 3.500 . 5.300 4.066 4.066 4.066 . 0 0 "[ ]" 1 1425 1 126 ARG HA 1 127 LYS H 3.600 . 5.300 3.531 3.531 3.531 . 0 0 "[ ]" 1 1426 1 124 LEU HA 1 127 LYS H 4.000 . 5.300 3.441 3.441 3.441 . 0 0 "[ ]" 1 1427 1 124 LEU HG 1 127 LYS H 5.500 . 6.500 4.662 4.662 4.662 . 0 0 "[ ]" 1 1428 1 127 LYS HA 1 127 LYS HB2 2.900 . 3.500 2.927 2.927 2.927 . 0 0 "[ ]" 1 1429 1 127 LYS HA 1 127 LYS HG3 3.800 . 5.300 2.094 2.094 2.094 . 0 0 "[ ]" 1 1430 1 127 LYS HA 1 130 ALA MB 4.300 . 5.300 2.879 2.879 2.879 . 0 0 "[ ]" 1 1431 1 127 LYS HB2 1 128 SER H 2.700 . 3.500 2.939 2.939 2.939 . 0 0 "[ ]" 1 1432 1 127 LYS HB3 1 128 SER H 3.500 . 5.300 3.012 3.012 3.012 . 0 0 "[ ]" 1 1433 1 127 LYS HA 1 128 SER H 3.600 . 5.300 3.566 3.566 3.566 . 0 0 "[ ]" 1 1434 1 128 SER H 1 128 SER HB2 2.800 . 3.500 2.210 2.210 2.210 . 0 0 "[ ]" 1 1435 1 104 VAL MG1 1 128 SER H 5.500 . 6.500 4.714 4.714 4.714 . 0 0 "[ ]" 1 1436 1 127 LYS HG2 1 128 SER H 5.100 . 5.300 5.023 5.023 5.023 . 0 0 "[ ]" 1 1437 1 125 LEU MD2 1 128 SER H 5.400 . 6.500 4.569 4.569 4.569 . 0 0 "[ ]" 1 1438 1 124 LEU MD2 1 128 SER H 5.800 . 6.500 4.803 4.803 4.803 . 0 0 "[ ]" 1 1439 1 127 LYS HG3 1 128 SER H 4.300 . 5.300 4.850 4.850 4.850 . 0 0 "[ ]" 1 1440 1 125 LEU HA 1 128 SER H 3.000 . 3.500 3.459 3.459 3.459 . 0 0 "[ ]" 1 1441 1 128 SER H 1 129 GLU H 2.900 . 3.500 2.689 2.689 2.689 . 0 0 "[ ]" 1 1442 1 126 ARG H 1 128 SER H 4.500 . 5.300 4.164 4.164 4.164 . 0 0 "[ ]" 1 1443 1 128 SER H 1 130 ALA H 4.500 . 5.300 4.116 4.116 4.116 . 0 0 "[ ]" 1 1444 1 128 SER HA 1 131 GLN HB2 4.000 . 5.300 2.728 2.728 2.728 . 0 0 "[ ]" 1 1445 1 129 GLU H 1 129 GLU HB2 2.700 . 3.500 2.663 2.663 2.663 . 0 0 "[ ]" 1 1446 1 129 GLU H 1 129 GLU HB3 3.000 . 3.500 2.461 2.461 2.461 . 0 0 "[ ]" 1 1447 1 129 GLU H 1 131 GLN H 4.500 . 5.300 4.122 4.122 4.122 . 0 0 "[ ]" 1 1448 1 129 GLU H 1 130 ALA H 3.000 . 3.500 2.676 2.676 2.676 . 0 0 "[ ]" 1 1449 1 128 SER HA 1 129 GLU H 3.500 . 5.300 3.562 3.562 3.562 . 0 0 "[ ]" 1 1450 1 129 GLU H 1 130 ALA MB 5.400 . 6.500 4.367 4.367 4.367 . 0 0 "[ ]" 1 1451 1 125 LEU HA 1 129 GLU H 3.500 . 5.300 4.004 4.004 4.004 . 0 0 "[ ]" 1 1452 1 111 VAL MG2 1 129 GLU H 4.900 . 5.300 4.075 4.075 4.075 . 0 0 "[ ]" 1 1453 1 104 VAL MG1 1 129 GLU H 4.500 . 5.300 3.131 3.131 3.131 . 0 0 "[ ]" 1 1454 1 126 ARG HA 1 129 GLU H 4.000 . 5.300 3.579 3.579 3.579 . 0 0 "[ ]" 1 1455 1 129 GLU HA 1 129 GLU HB2 2.400 . 2.700 2.428 2.428 2.428 . 0 0 "[ ]" 1 1456 1 129 GLU HA 1 129 GLU HB3 2.800 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1 1457 1 129 GLU HA 1 132 ALA MB 3.900 . 5.300 2.971 2.971 2.971 . 0 0 "[ ]" 1 1458 1 130 ALA H 1 132 ALA H 4.500 . 5.300 4.370 4.370 4.370 . 0 0 "[ ]" 1 1459 1 130 ALA H 1 130 ALA HA 2.800 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 1 1460 1 127 LYS HA 1 130 ALA H 3.500 . 5.300 3.502 3.502 3.502 . 0 0 "[ ]" 1 1461 1 128 SER HA 1 130 ALA H 4.000 . 5.300 4.284 4.284 4.284 . 0 0 "[ ]" 1 1462 1 129 GLU HB2 1 130 ALA H 3.800 . 5.300 4.006 4.006 4.006 . 0 0 "[ ]" 1 1463 1 129 GLU HB3 1 130 ALA H 3.100 . 3.500 2.718 2.718 2.718 . 0 0 "[ ]" 1 1464 1 127 LYS HB2 1 130 ALA H 5.500 . 6.500 5.675 5.675 5.675 . 0 0 "[ ]" 1 1465 1 126 ARG HA 1 130 ALA H 3.800 . 5.300 4.219 4.219 4.219 . 0 0 "[ ]" 1 1466 1 104 VAL MG1 1 130 ALA H 5.500 . 6.500 4.979 4.979 4.979 . 0 0 "[ ]" 1 1467 1 130 ALA HA 1 133 LYS HB2 3.300 . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1 1468 1 131 GLN H 1 131 GLN HB2 2.700 . 3.500 2.148 2.148 2.148 . 0 0 "[ ]" 1 1469 1 131 GLN H 1 131 GLN HA 2.800 . 3.500 2.867 2.867 2.867 . 0 0 "[ ]" 1 1470 1 130 ALA HA 1 131 GLN H 3.500 . 5.300 3.538 3.538 3.538 . 0 0 "[ ]" 1 1471 1 128 SER HA 1 131 GLN H 3.500 . 5.300 3.336 3.336 3.336 . 0 0 "[ ]" 1 1472 1 130 ALA MB 1 131 GLN H 4.100 . 5.300 2.654 2.654 2.654 . 0 0 "[ ]" 1 1473 1 131 GLN H 1 131 GLN QG 4.000 . 5.300 3.684 3.684 3.684 . 0 0 "[ ]" 1 1474 1 131 GLN H 1 131 GLN HB3 3.000 . 3.500 3.095 3.095 3.095 . 0 0 "[ ]" 1 1475 1 127 LYS HA 1 131 GLN H 3.700 . 5.300 4.368 4.368 4.368 . 0 0 "[ ]" 1 1476 1 131 GLN H 1 133 LYS H 3.900 . 5.300 4.023 4.023 4.023 . 0 0 "[ ]" 1 1477 1 131 GLN H 1 132 ALA H 2.700 . 3.500 2.744 2.744 2.744 . 0 0 "[ ]" 1 1478 1 130 ALA H 1 131 GLN H 2.700 . 3.500 2.581 2.581 2.581 . 0 0 "[ ]" 1 1479 1 131 GLN HA 1 134 LYS HB3 2.200 . 2.700 2.467 2.467 2.467 . 0 0 "[ ]" 1 1480 1 132 ALA H 1 137 LEU MD1 5.500 . 6.300 4.436 4.436 4.436 . 0 0 "[ ]" 1 1481 1 132 ALA H 1 132 ALA HA 2.900 . 3.500 2.839 2.839 2.839 . 0 0 "[ ]" 1 1482 1 132 ALA H 1 133 LYS HA 5.300 . 6.500 5.374 5.374 5.374 . 0 0 "[ ]" 1 1483 1 128 SER HA 1 132 ALA H 4.600 . 5.300 4.218 4.218 4.218 . 0 0 "[ ]" 1 1484 1 128 SER HB2 1 132 ALA H 5.400 . 6.500 6.117 6.117 6.117 . 0 0 "[ ]" 1 1485 1 131 GLN QG 1 132 ALA H 4.000 . 5.300 4.359 4.359 4.359 . 0 0 "[ ]" 1 1486 1 131 GLN HB2 1 132 ALA H 3.600 . 5.300 3.289 3.289 3.289 . 0 0 "[ ]" 1 1487 1 131 GLN HB3 1 132 ALA H 3.000 . 3.500 2.515 2.515 2.515 . 0 0 "[ ]" 1 1488 1 130 ALA MB 1 132 ALA H 5.500 . 6.500 4.745 4.745 4.745 . 0 0 "[ ]" 1 1489 1 105 ARG HA 1 132 ALA H 4.800 . 5.300 3.622 3.622 3.622 . 0 0 "[ ]" 1 1490 1 132 ALA H 1 133 LYS H 2.500 . 2.700 2.715 2.715 2.715 0.015 1 0 "[ ]" 1 1491 1 133 LYS H 1 134 LYS H 2.500 . 2.700 2.484 2.484 2.484 . 0 0 "[ ]" 1 1492 1 133 LYS H 1 133 LYS HA 2.700 . 3.500 2.900 2.900 2.900 . 0 0 "[ ]" 1 1493 1 132 ALA MB 1 133 LYS H 3.900 . 5.300 2.659 2.659 2.659 . 0 0 "[ ]" 1 1494 1 133 LYS H 1 133 LYS HB2 2.700 . 3.500 2.414 2.414 2.414 . 0 0 "[ ]" 1 1495 1 133 LYS H 1 133 LYS HB3 3.600 . 5.300 3.614 3.614 3.614 . 0 0 "[ ]" 1 1496 1 133 LYS H 1 133 LYS QD 5.500 . 6.500 4.355 4.355 4.355 . 0 0 "[ ]" 1 1497 1 133 LYS H 1 133 LYS QG 3.900 . 5.300 2.532 2.532 2.532 . 0 0 "[ ]" 1 1498 1 130 ALA HA 1 133 LYS H 3.500 . 5.300 3.462 3.462 3.462 . 0 0 "[ ]" 1 1499 1 132 ALA HA 1 133 LYS H 3.600 . 5.300 3.545 3.545 3.545 . 0 0 "[ ]" 1 1500 1 130 ALA MB 1 133 LYS H 5.500 . 6.500 4.606 4.606 4.606 . 0 0 "[ ]" 1 1501 1 133 LYS H 1 140 TRP HB2 5.500 . 6.500 5.198 5.198 5.198 . 0 0 "[ ]" 1 1502 1 133 LYS HA 1 133 LYS QG 3.300 . 3.500 2.241 2.241 2.241 . 0 0 "[ ]" 1 1503 1 133 LYS HA 1 133 LYS QD 4.500 . 5.300 3.294 3.294 3.294 . 0 0 "[ ]" 1 1504 1 133 LYS HA 1 133 LYS HB2 2.800 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1 1505 1 133 LYS HA 1 133 LYS HB3 2.800 . 3.500 2.519 2.519 2.519 . 0 0 "[ ]" 1 1506 1 134 LYS H 1 135 GLU H 2.900 . 3.500 2.360 2.360 2.360 . 0 0 "[ ]" 1 1507 1 134 LYS H 1 136 LYS H 4.500 . 5.300 3.821 3.821 3.821 . 0 0 "[ ]" 1 1508 1 133 LYS HB2 1 134 LYS H 3.000 . 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 1 1509 1 134 LYS H 1 134 LYS HB3 2.500 . 2.700 2.567 2.567 2.567 . 0 0 "[ ]" 1 1510 1 133 LYS HA 1 134 LYS H 3.700 . 5.300 3.467 3.467 3.467 . 0 0 "[ ]" 1 1511 1 134 LYS H 1 134 LYS HA 2.900 . 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1 1512 1 130 ALA HA 1 134 LYS H 3.500 . 5.300 4.250 4.250 4.250 . 0 0 "[ ]" 1 1513 1 133 LYS QG 1 134 LYS H 5.000 . 5.300 4.197 4.197 4.197 . 0 0 "[ ]" 1 1514 1 131 GLN H 1 134 LYS H 5.000 . 5.300 4.528 4.528 4.528 . 0 0 "[ ]" 1 1515 1 133 LYS HB3 1 134 LYS H 3.900 . 5.300 3.937 3.937 3.937 . 0 0 "[ ]" 1 1516 1 132 ALA MB 1 134 LYS H 5.500 . 6.500 4.271 4.271 4.271 . 0 0 "[ ]" 1 1517 1 134 LYS HA 1 134 LYS HB3 2.700 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1 1518 1 135 GLU H 1 135 GLU HB2 2.700 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1 1519 1 135 GLU H 1 135 GLU HB3 3.600 . 5.300 3.657 3.657 3.657 . 0 0 "[ ]" 1 1520 1 135 GLU H 1 135 GLU HG2 3.500 . 5.300 3.598 3.598 3.598 . 0 0 "[ ]" 1 1521 1 135 GLU H 1 135 GLU HG3 2.800 . 3.500 3.311 3.311 3.311 . 0 0 "[ ]" 1 1522 1 135 GLU H 1 137 LEU HG 4.000 . 5.300 4.475 4.475 4.475 . 0 0 "[ ]" 1 1523 1 134 LYS HA 1 135 GLU H 2.700 . 3.500 3.407 3.407 3.407 . 0 0 "[ ]" 1 1524 1 135 GLU H 1 135 GLU HA 2.800 . 3.500 2.987 2.987 2.987 . 0 0 "[ ]" 1 1525 1 134 LYS HB3 1 135 GLU H 2.600 . 3.500 3.258 3.258 3.258 . 0 0 "[ ]" 1 1526 1 135 GLU H 1 136 LYS H 2.400 . 2.700 2.067 2.067 2.067 . 0 0 "[ ]" 1 1527 1 135 GLU H 1 137 LEU H 4.500 . 5.300 3.916 3.916 3.916 . 0 0 "[ ]" 1 1528 1 135 GLU H 1 137 LEU HB3 5.500 . 6.500 6.549 6.549 6.549 0.049 1 0 "[ ]" 1 1529 1 132 ALA HA 1 135 GLU H 3.600 . 5.300 3.414 3.414 3.414 . 0 0 "[ ]" 1 1530 1 135 GLU H 1 136 LYS HA 4.100 . 5.300 4.388 4.388 4.388 . 0 0 "[ ]" 1 1531 1 133 LYS H 1 135 GLU H 3.600 . 5.300 3.949 3.949 3.949 . 0 0 "[ ]" 1 1532 1 135 GLU HA 1 135 GLU HB3 2.500 . 2.700 2.579 2.579 2.579 . 0 0 "[ ]" 1 1533 1 136 LYS H 1 137 LEU H 2.300 . 2.700 2.742 2.742 2.742 0.042 1 0 "[ ]" 1 1534 1 136 LYS H 1 136 LYS QG 2.700 . 3.500 2.435 2.435 2.435 . 0 0 "[ ]" 1 1535 1 135 GLU HA 1 136 LYS H 3.000 . 3.500 3.392 3.392 3.392 . 0 0 "[ ]" 1 1536 1 134 LYS HA 1 136 LYS H 3.700 . 5.300 4.081 4.081 4.081 . 0 0 "[ ]" 1 1537 1 133 LYS HA 1 136 LYS H 3.500 . 5.300 3.342 3.342 3.342 . 0 0 "[ ]" 1 1538 1 136 LYS H 1 136 LYS HB3 4.100 . 5.300 4.061 4.061 4.061 . 0 0 "[ ]" 1 1539 1 136 LYS H 1 136 LYS HB2 3.700 . 5.300 3.751 3.751 3.751 . 0 0 "[ ]" 1 1540 1 136 LYS H 1 136 LYS HA 2.400 . 2.700 2.351 2.351 2.351 . 0 0 "[ ]" 1 1541 1 132 ALA HA 1 136 LYS H 4.100 . 5.300 4.416 4.416 4.416 . 0 0 "[ ]" 1 1542 1 136 LYS H 1 140 TRP HB3 3.300 . 3.500 3.320 3.320 3.320 . 0 0 "[ ]" 1 1543 1 136 LYS H 1 140 TRP HB2 3.500 . 5.300 3.183 3.183 3.183 . 0 0 "[ ]" 1 1544 1 135 GLU HB2 1 136 LYS H 3.100 . 3.500 3.353 3.353 3.353 . 0 0 "[ ]" 1 1545 1 136 LYS HA 1 136 LYS HB3 2.600 . 2.700 2.382 2.382 2.382 . 0 0 "[ ]" 1 1546 1 137 LEU H 1 137 LEU HB3 3.500 . 5.300 3.582 3.582 3.582 . 0 0 "[ ]" 1 1547 1 137 LEU H 1 137 LEU HB2 2.600 . 3.500 2.290 2.290 2.290 . 0 0 "[ ]" 1 1548 1 137 LEU H 1 137 LEU HG 2.600 . 3.500 2.931 2.931 2.931 . 0 0 "[ ]" 1 1549 1 137 LEU H 1 137 LEU MD2 4.600 . 5.300 4.020 4.020 4.020 . 0 0 "[ ]" 1 1550 1 136 LYS HA 1 137 LEU H 2.800 . 3.500 2.642 2.642 2.642 . 0 0 "[ ]" 1 1551 1 137 LEU H 1 137 LEU HA 2.900 . 3.500 2.959 2.959 2.959 . 0 0 "[ ]" 1 1552 1 132 ALA HA 1 137 LEU H 4.700 . 5.300 3.878 3.878 3.878 . 0 0 "[ ]" 1 1553 1 137 LEU H 1 137 LEU MD1 5.000 . 5.300 3.641 3.641 3.641 . 0 0 "[ ]" 1 1554 1 137 LEU H 1 140 TRP HB3 3.700 . 5.300 3.419 3.419 3.419 . 0 0 "[ ]" 1 1555 1 137 LEU H 1 140 TRP HD1 . . 3.500 2.646 2.646 2.646 . 0 0 "[ ]" 1 1556 1 137 LEU H 1 141 SER H 3.800 . 5.300 4.589 4.589 4.589 . 0 0 "[ ]" 1 1557 1 137 LEU H 1 140 TRP H 4.000 . 5.300 3.795 3.795 3.795 . 0 0 "[ ]" 1 1558 1 135 GLU HB3 1 137 LEU H 4.100 . 5.300 4.427 4.427 4.427 . 0 0 "[ ]" 1 1559 1 137 LEU H 1 140 TRP HB2 3.400 . 3.500 1.923 1.923 1.923 . 0 0 "[ ]" 1 1560 1 136 LYS HB2 1 137 LEU H 4.500 . 5.300 4.315 4.315 4.315 . 0 0 "[ ]" 1 1561 1 133 LYS HA 1 137 LEU H 3.900 . 5.300 3.990 3.990 3.990 . 0 0 "[ ]" 1 1562 1 137 LEU HA 1 137 LEU HG 3.100 . 3.500 2.605 2.605 2.605 . 0 0 "[ ]" 1 1563 1 137 LEU HA 1 137 LEU HB3 2.500 . 2.700 2.601 2.601 2.601 . 0 0 "[ ]" 1 1564 1 137 LEU HA 1 137 LEU MD2 4.000 . 5.300 1.945 1.945 1.945 . 0 0 "[ ]" 1 1565 1 137 LEU HA 1 138 ASN H 2.500 . 2.700 2.160 2.160 2.160 . 0 0 "[ ]" 1 1566 1 137 LEU H 1 138 ASN H 3.500 . 5.300 4.462 4.462 4.462 . 0 0 "[ ]" 1 1567 1 137 LEU HG 1 138 ASN H 4.700 . 5.300 4.720 4.720 4.720 . 0 0 "[ ]" 1 1568 1 138 ASN H 1 138 ASN HA 2.700 . 3.500 2.332 2.332 2.332 . 0 0 "[ ]" 1 1569 1 138 ASN H 1 138 ASN HB2 3.700 . 5.300 3.443 3.443 3.443 . 0 0 "[ ]" 1 1570 1 137 LEU HB3 1 138 ASN H 3.400 . 3.500 3.498 3.498 3.498 . 0 0 "[ ]" 1 1571 1 137 LEU HB2 1 138 ASN H 4.500 . 5.300 4.413 4.413 4.413 . 0 0 "[ ]" 1 1572 1 137 LEU MD1 1 138 ASN H 5.500 . 6.500 5.159 5.159 5.159 . 0 0 "[ ]" 1 1573 1 137 LEU MD2 1 138 ASN H 4.500 . 5.300 3.204 3.204 3.204 . 0 0 "[ ]" 1 1574 1 138 ASN HA 1 138 ASN HB2 2.700 . 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 1 1575 1 108 LEU MD2 1 138 ASN HA 5.700 . 6.500 4.686 4.686 4.686 . 0 0 "[ ]" 1 1576 1 106 GLN HB3 1 138 ASN HD22 4.300 . 5.300 4.940 4.940 4.940 . 0 0 "[ ]" 1 1577 1 138 ASN HB2 1 138 ASN HD22 3.500 . 5.300 3.601 3.601 3.601 . 0 0 "[ ]" 1 1578 1 108 LEU HG 1 138 ASN HD22 3.500 . 5.300 4.565 4.565 4.565 . 0 0 "[ ]" 1 1579 1 137 LEU HB3 1 138 ASN HD22 4.200 . 5.300 3.721 3.721 3.721 . 0 0 "[ ]" 1 1580 1 108 LEU MD1 1 138 ASN HD22 5.300 . 6.500 4.218 4.218 4.218 . 0 0 "[ ]" 1 1581 1 108 LEU MD2 1 138 ASN HD22 4.900 . 5.300 3.165 3.165 3.165 . 0 0 "[ ]" 1 1582 1 137 LEU MD1 1 138 ASN HD22 5.800 . 6.500 5.029 5.029 5.029 . 0 0 "[ ]" 1 1583 1 106 GLN HB3 1 138 ASN HD21 3.900 . 5.300 5.048 5.048 5.048 . 0 0 "[ ]" 1 1584 1 138 ASN HB2 1 138 ASN HD21 3.200 . 3.500 2.477 2.477 2.477 . 0 0 "[ ]" 1 1585 1 108 LEU HG 1 138 ASN HD21 3.500 . 5.300 4.512 4.512 4.512 . 0 0 "[ ]" 1 1586 1 108 LEU MD1 1 138 ASN HD21 5.300 . 6.500 4.877 4.877 4.877 . 0 0 "[ ]" 1 1587 1 137 LEU HB3 1 138 ASN HD21 3.500 . 5.300 2.279 2.279 2.279 . 0 0 "[ ]" 1 1588 1 108 LEU MD2 1 138 ASN HD21 5.100 . 5.300 3.477 3.477 3.477 . 0 0 "[ ]" 1 1589 1 139 ILE H 1 139 ILE HA 3.000 . 3.500 2.842 2.842 2.842 . 0 0 "[ ]" 1 1590 1 139 ILE H 1 139 ILE HB 2.800 . 3.500 3.561 3.561 3.561 0.061 1 0 "[ ]" 1 1591 1 139 ILE H 1 139 ILE QG 2.800 . 3.500 1.803 1.803 1.803 . 0 0 "[ ]" 1 1592 1 139 ILE H 1 139 ILE MD 4.500 . 5.300 3.548 3.548 3.548 . 0 0 "[ ]" 1 1593 1 138 ASN HB2 1 139 ILE H 2.800 . 3.500 2.027 2.027 2.027 . 0 0 "[ ]" 1 1594 1 138 ASN HB3 1 139 ILE H 2.700 . 3.500 2.109 2.109 2.109 . 0 0 "[ ]" 1 1595 1 138 ASN HA 1 139 ILE H 3.700 . 5.300 3.439 3.439 3.439 . 0 0 "[ ]" 1 1596 1 108 LEU MD2 1 139 ILE H 5.100 . 5.300 4.036 4.036 4.036 . 0 0 "[ ]" 1 1597 1 139 ILE HA 1 139 ILE QG 2.700 . 3.500 3.254 3.254 3.254 . 0 0 "[ ]" 1 1598 1 139 ILE HA 1 139 ILE HB 2.900 . 3.500 2.617 2.617 2.617 . 0 0 "[ ]" 1 1599 1 139 ILE HB 1 139 ILE MD 3.400 . 3.500 2.269 2.269 2.269 . 0 0 "[ ]" 1 1600 1 139 ILE MG 1 140 TRP H 5.200 . 5.300 4.139 4.139 4.139 . 0 0 "[ ]" 1 1601 1 139 ILE HB 1 140 TRP H 3.300 . 3.500 3.492 3.492 3.492 . 0 0 "[ ]" 1 1602 1 140 TRP H 1 140 TRP HB3 3.600 . 5.300 3.630 3.630 3.630 . 0 0 "[ ]" 1 1603 1 140 TRP H 1 140 TRP HB2 3.000 . 3.500 2.619 2.619 2.619 . 0 0 "[ ]" 1 1604 1 140 TRP H 1 140 TRP HE3 3.700 . 5.300 3.944 3.944 3.944 . 0 0 "[ ]" 1 1605 1 139 ILE QG 1 140 TRP H 3.500 . 5.300 1.927 1.927 1.927 . 0 0 "[ ]" 1 1606 1 139 ILE MD 1 140 TRP H 6.000 . 6.500 3.593 3.593 3.593 . 0 0 "[ ]" 1 1607 1 139 ILE HA 1 140 TRP H 3.900 . 5.300 3.545 3.545 3.545 . 0 0 "[ ]" 1 1608 1 140 TRP H 1 140 TRP HD1 . . 3.500 3.447 3.447 3.447 . 0 0 "[ ]" 1 1609 1 140 TRP H 1 141 SER HA 3.700 . 5.300 5.177 5.177 5.177 . 0 0 "[ ]" 1 1610 1 139 ILE H 1 140 TRP H 3.000 . 3.500 2.736 2.736 2.736 . 0 0 "[ ]" 1 1611 1 140 TRP HA 1 140 TRP HB3 2.900 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1 1612 1 137 LEU HB2 1 140 TRP HD1 3.500 . 5.300 2.707 2.707 2.707 . 0 0 "[ ]" 1 1613 1 132 ALA H 1 140 TRP HD1 5.500 . 6.500 4.869 4.869 4.869 . 0 0 "[ ]" 1 1614 1 133 LYS H 1 140 TRP HD1 3.600 . 5.300 3.772 3.772 3.772 . 0 0 "[ ]" 1 1615 1 107 GLY HA2 1 140 TRP HD1 2.900 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1 1616 1 137 LEU MD1 1 140 TRP HD1 5.000 . 5.300 4.059 4.059 4.059 . 0 0 "[ ]" 1 1617 1 107 GLY HA3 1 140 TRP HD1 2.900 . 3.500 3.236 3.236 3.236 . 0 0 "[ ]" 1 1618 1 140 TRP HB3 1 140 TRP HD1 3.800 . 5.300 3.455 3.455 3.455 . 0 0 "[ ]" 1 1619 1 133 LYS HA 1 140 TRP HD1 3.400 . 3.500 3.185 3.185 3.185 . 0 0 "[ ]" 1 1620 1 132 ALA HA 1 140 TRP HD1 4.500 . 5.300 3.388 3.388 3.388 . 0 0 "[ ]" 1 1621 1 132 ALA MB 1 140 TRP HD1 4.300 . 5.300 1.973 1.973 1.973 . 0 0 "[ ]" 1 1622 1 140 TRP HB2 1 140 TRP HD1 2.900 . 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 1 1623 1 140 TRP HA 1 140 TRP HE3 2.700 . 3.500 1.871 1.871 1.871 . 0 0 "[ ]" 1 1624 1 133 LYS QD 1 140 TRP HE3 3.500 . 5.300 2.838 2.838 2.838 . 0 0 "[ ]" 1 1625 1 133 LYS HA 1 140 TRP HE3 4.000 . 5.300 4.154 4.154 4.154 . 0 0 "[ ]" 1 1626 1 140 TRP HB3 1 140 TRP HE3 3.000 . 3.500 3.231 3.231 3.231 . 0 0 "[ ]" 1 1627 1 139 ILE MG 1 140 TRP HE3 5.800 . 6.500 5.438 5.438 5.438 . 0 0 "[ ]" 1 1628 1 129 GLU HA 1 140 TRP HZ2 4.400 . 5.300 4.940 4.940 4.940 . 0 0 "[ ]" 1 1629 1 110 LYS HG2 1 140 TRP HZ2 3.500 . 5.300 3.042 3.042 3.042 . 0 0 "[ ]" 1 1630 1 110 LYS QB 1 140 TRP HZ2 5.000 . 5.300 4.421 4.421 4.421 . 0 0 "[ ]" 1 1631 1 133 LYS QD 1 140 TRP HZ2 4.700 . 5.300 3.758 3.758 3.758 . 0 0 "[ ]" 1 1632 1 110 LYS HA 1 140 TRP HZ2 3.600 . 5.300 4.113 4.113 4.113 . 0 0 "[ ]" 1 1633 1 110 LYS QB 1 140 TRP HH2 5.400 . 6.500 4.573 4.573 4.573 . 0 0 "[ ]" 1 1634 1 140 TRP H 1 141 SER H 2.400 . 2.700 2.680 2.680 2.680 . 0 0 "[ ]" 1 1635 1 141 SER H 1 141 SER HA 2.900 . 3.500 2.968 2.968 2.968 . 0 0 "[ ]" 1 1636 1 139 ILE HA 1 141 SER H 4.500 . 5.300 3.526 3.526 3.526 . 0 0 "[ ]" 1 1637 1 140 TRP HA 1 141 SER H 5.000 . 5.300 3.296 3.296 3.296 . 0 0 "[ ]" 1 1638 1 140 TRP HB2 1 141 SER H 3.800 . 5.300 3.560 3.560 3.560 . 0 0 "[ ]" 1 1639 1 139 ILE HB 1 141 SER H 5.500 . 6.500 4.839 4.839 4.839 . 0 0 "[ ]" 1 1640 1 139 ILE H 1 141 SER H 5.500 . 6.500 4.075 4.075 4.075 . 0 0 "[ ]" 1 1641 1 141 SER H 1 141 SER HB3 2.600 . 2.700 2.646 2.646 2.646 . 0 0 "[ ]" 1 1642 1 142 GLU H 1 142 GLU HB2 2.800 . 3.500 2.762 2.762 2.762 . 0 0 "[ ]" 1 1643 1 142 GLU H 1 142 GLU HB3 3.500 . 5.300 3.758 3.758 3.758 . 0 0 "[ ]" 1 1644 1 142 GLU H 1 142 GLU QG 3.100 . 3.500 2.251 2.251 2.251 . 0 0 "[ ]" 1 1645 1 141 SER QB 1 142 GLU H 3.600 . 5.300 4.017 4.017 4.017 . 0 0 "[ ]" 1 1646 1 141 SER HA 1 142 GLU H 3.400 . 3.500 2.597 2.597 2.597 . 0 0 "[ ]" 1 1647 1 142 GLU H 1 143 ASP HA 5.000 . 5.300 4.712 4.712 4.712 . 0 0 "[ ]" 1 1648 1 141 SER H 1 142 GLU H 2.900 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1 1649 1 142 GLU HA 1 142 GLU HB3 3.000 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1 1650 1 142 GLU HB2 1 143 ASP H 3.400 . 3.500 2.954 2.954 2.954 . 0 0 "[ ]" 1 1651 1 142 GLU H 1 143 ASP H 3.200 . 3.500 2.017 2.017 2.017 . 0 0 "[ ]" 1 1652 1 143 ASP H 1 143 ASP HB2 2.900 . 3.500 2.172 2.172 2.172 . 0 0 "[ ]" 1 1653 1 143 ASP H 1 143 ASP HB3 3.100 . 3.500 3.501 3.501 3.501 0.001 1 0 "[ ]" 1 1654 1 142 GLU HB3 1 143 ASP H 3.600 . 5.300 4.121 4.121 4.121 . 0 0 "[ ]" 1 1655 1 142 GLU HA 1 143 ASP H 3.000 . 3.500 3.488 3.488 3.488 . 0 0 "[ ]" 1 1656 1 141 SER HA 1 143 ASP H 3.500 . 5.300 3.597 3.597 3.597 . 0 0 "[ ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 112 _Distance_constraint_stats_list.Viol_count 8 _Distance_constraint_stats_list.Viol_total 0.067 _Distance_constraint_stats_list.Viol_max 0.018 _Distance_constraint_stats_list.Viol_rms 0.0028 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0006 _Distance_constraint_stats_list.Viol_average_violations_only 0.0084 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 10 GLU 0.000 0.000 . 0 "[ ]" 1 12 ALA 0.004 0.004 1 0 "[ ]" 1 13 THR 0.018 0.018 1 0 "[ ]" 1 16 LYS 0.000 0.000 . 0 "[ ]" 1 18 ILE 0.000 0.000 . 0 "[ ]" 1 19 ASP 0.000 0.000 . 0 "[ ]" 1 21 ASP 0.000 0.000 . 0 "[ ]" 1 22 THR 0.000 0.000 . 0 "[ ]" 1 23 VAL 0.000 0.000 . 0 "[ ]" 1 24 LYS 0.000 0.000 . 0 "[ ]" 1 25 LEU 0.011 0.011 1 0 "[ ]" 1 26 MET 0.018 0.018 1 0 "[ ]" 1 27 TYR 0.000 0.000 . 0 "[ ]" 1 30 GLN 0.000 0.000 . 0 "[ ]" 1 32 MET 0.011 0.011 1 0 "[ ]" 1 33 THR 0.000 0.000 . 0 "[ ]" 1 34 PHE 0.000 0.000 . 0 "[ ]" 1 35 ARG 0.001 0.001 1 0 "[ ]" 1 36 LEU 0.000 0.000 . 0 "[ ]" 1 37 LEU 0.000 0.000 . 0 "[ ]" 1 38 LEU 0.000 0.000 . 0 "[ ]" 1 40 ASP 0.002 0.002 1 0 "[ ]" 1 57 GLU 0.000 0.000 . 0 "[ ]" 1 58 ALA 0.000 0.000 . 0 "[ ]" 1 59 SER 0.000 0.000 . 0 "[ ]" 1 60 ALA 0.000 0.000 . 0 "[ ]" 1 61 PHE 0.000 0.000 . 0 "[ ]" 1 62 THR 0.009 0.009 1 0 "[ ]" 1 63 LYS 0.000 0.000 . 0 "[ ]" 1 64 LYS 0.000 0.000 . 0 "[ ]" 1 65 MET 0.000 0.000 . 0 "[ ]" 1 66 VAL 0.009 0.009 1 0 "[ ]" 1 67 GLU 0.000 0.000 . 0 "[ ]" 1 68 ASN 0.000 0.000 . 0 "[ ]" 1 69 ALA 0.000 0.000 . 0 "[ ]" 1 72 ILE 0.004 0.004 1 0 "[ ]" 1 73 GLU 0.000 0.000 . 0 "[ ]" 1 74 VAL 0.000 0.000 . 0 "[ ]" 1 75 GLU 0.000 0.000 . 0 "[ ]" 1 81 ARG 0.000 0.000 . 0 "[ ]" 1 83 ASP 0.000 0.000 . 0 "[ ]" 1 87 ARG 0.000 0.000 . 0 "[ ]" 1 88 GLY 0.001 0.001 1 0 "[ ]" 1 89 LEU 0.000 0.000 . 0 "[ ]" 1 90 ALA 0.000 0.000 . 0 "[ ]" 1 91 TYR 0.000 0.000 . 0 "[ ]" 1 92 ILE 0.000 0.000 . 0 "[ ]" 1 93 TYR 0.000 0.000 . 0 "[ ]" 1 94 ALA 0.000 0.000 . 0 "[ ]" 1 97 LYS 0.000 0.000 . 0 "[ ]" 1 98 MET 0.000 0.000 . 0 "[ ]" 1 99 VAL 0.000 0.000 . 0 "[ ]" 1 100 ASN 0.000 0.000 . 0 "[ ]" 1 101 GLU 0.000 0.000 . 0 "[ ]" 1 102 ALA 0.000 0.000 . 0 "[ ]" 1 103 LEU 0.000 0.000 . 0 "[ ]" 1 104 VAL 0.000 0.000 . 0 "[ ]" 1 105 ARG 0.000 0.000 . 0 "[ ]" 1 106 GLN 0.000 0.000 . 0 "[ ]" 1 110 LYS 0.002 0.002 1 0 "[ ]" 1 112 ALA 0.000 0.000 . 0 "[ ]" 1 122 GLU 0.000 0.000 . 0 "[ ]" 1 123 GLN 0.005 0.005 1 0 "[ ]" 1 124 LEU 0.000 0.000 . 0 "[ ]" 1 125 LEU 0.000 0.000 . 0 "[ ]" 1 126 ARG 0.000 0.000 . 0 "[ ]" 1 127 LYS 0.005 0.005 1 0 "[ ]" 1 128 SER 0.000 0.000 . 0 "[ ]" 1 129 GLU 0.000 0.000 . 0 "[ ]" 1 130 ALA 0.000 0.000 . 0 "[ ]" 1 131 GLN 0.000 0.000 . 0 "[ ]" 1 132 ALA 0.017 0.017 1 0 "[ ]" 1 133 LYS 0.000 0.000 . 0 "[ ]" 1 134 LYS 0.000 0.000 . 0 "[ ]" 1 135 GLU 0.000 0.000 . 0 "[ ]" 1 136 LYS 0.017 0.017 1 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 12 ALA H 1 72 ILE O 1.900 . 2.300 2.304 2.304 2.304 0.004 1 0 "[ ]" 2 2 1 13 THR O 1 26 MET H 1.900 . 2.300 2.094 2.094 2.094 . 0 0 "[ ]" 2 3 1 13 THR H 1 26 MET O 1.900 . 2.300 2.318 2.318 2.318 0.018 1 0 "[ ]" 2 4 1 23 VAL H 1 34 PHE O 1.900 . 2.300 2.195 2.195 2.195 . 0 0 "[ ]" 2 5 1 25 LEU H 1 32 MET O 1.900 . 2.300 2.186 2.186 2.186 . 0 0 "[ ]" 2 6 1 27 TYR H 1 30 GLN O 1.900 . 2.300 2.083 2.083 2.083 . 0 0 "[ ]" 2 7 1 27 TYR O 1 30 GLN H 1.900 . 2.300 2.254 2.254 2.254 . 0 0 "[ ]" 2 8 1 25 LEU O 1 32 MET H 1.900 . 2.300 2.311 2.311 2.311 0.011 1 0 "[ ]" 2 9 1 23 VAL O 1 34 PHE H 1.900 . 2.300 2.102 2.102 2.102 . 0 0 "[ ]" 2 10 1 35 ARG H 1 88 GLY O 1.900 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 2 11 1 38 LEU O 1 112 ALA H 1.900 . 2.300 2.270 2.270 2.270 . 0 0 "[ ]" 2 12 1 40 ASP H 1 110 LYS O 1.900 . 2.300 2.277 2.277 2.277 . 0 0 "[ ]" 2 13 1 40 ASP O 1 110 LYS H 1.900 . 2.300 2.302 2.302 2.302 0.002 1 0 "[ ]" 2 14 1 16 LYS O 1 24 LYS H 1.900 . 2.300 2.202 2.202 2.202 . 0 0 "[ ]" 2 15 1 16 LYS H 1 24 LYS O 1.900 . 2.300 2.246 2.246 2.246 . 0 0 "[ ]" 2 16 1 81 ARG O 1 89 LEU H 1.900 . 2.300 2.221 2.221 2.221 . 0 0 "[ ]" 2 17 1 83 ASP H 1 87 ARG O 1.900 . 2.300 2.105 2.105 2.105 . 0 0 "[ ]" 2 18 1 10 GLU H 1 74 VAL O 1.900 . 2.300 2.256 2.256 2.256 . 0 0 "[ ]" 2 19 1 10 GLU O 1 74 VAL H 1.900 . 2.300 2.134 2.134 2.134 . 0 0 "[ ]" 2 20 1 73 GLU O 1 93 TYR H 1.900 . 2.300 2.220 2.220 2.220 . 0 0 "[ ]" 2 21 1 73 GLU H 1 93 TYR O 1.900 . 2.300 2.271 2.271 2.271 . 0 0 "[ ]" 2 22 1 75 GLU H 1 91 TYR O 1.900 . 2.300 2.191 2.191 2.191 . 0 0 "[ ]" 2 23 1 75 GLU O 1 91 TYR H 1.900 . 2.300 2.244 2.244 2.244 . 0 0 "[ ]" 2 24 1 94 ALA H 1 97 LYS O 1.900 . 2.300 2.167 2.167 2.167 . 0 0 "[ ]" 2 25 1 94 ALA O 1 97 LYS H 1.900 . 2.300 2.100 2.100 2.100 . 0 0 "[ ]" 2 26 1 92 ILE O 1 99 VAL H 1.900 . 2.300 2.108 2.108 2.108 . 0 0 "[ ]" 2 27 1 57 GLU O 1 61 PHE H 1.900 . 2.300 2.099 2.099 2.099 . 0 0 "[ ]" 2 28 1 58 ALA O 1 62 THR H 1.900 . 2.300 2.235 2.235 2.235 . 0 0 "[ ]" 2 29 1 59 SER O 1 63 LYS H 1.900 . 2.300 2.185 2.185 2.185 . 0 0 "[ ]" 2 30 1 60 ALA O 1 64 LYS H 1.900 . 2.300 2.102 2.102 2.102 . 0 0 "[ ]" 2 31 1 61 PHE O 1 65 MET H 1.900 . 2.300 2.119 2.119 2.119 . 0 0 "[ ]" 2 32 1 62 THR O 1 66 VAL H 1.900 . 2.300 2.309 2.309 2.309 0.009 1 0 "[ ]" 2 33 1 63 LYS O 1 67 GLU H 1.900 . 2.300 2.117 2.117 2.117 . 0 0 "[ ]" 2 34 1 64 LYS O 1 68 ASN H 1.900 . 2.300 2.220 2.220 2.220 . 0 0 "[ ]" 2 35 1 65 MET O 1 69 ALA H 1.900 . 2.300 2.180 2.180 2.180 . 0 0 "[ ]" 2 36 1 98 MET O 1 102 ALA H 1.900 . 2.300 2.153 2.153 2.153 . 0 0 "[ ]" 2 37 1 99 VAL O 1 103 LEU H 1.900 . 2.300 2.115 2.115 2.115 . 0 0 "[ ]" 2 38 1 100 ASN O 1 104 VAL H 1.900 . 2.300 2.206 2.206 2.206 . 0 0 "[ ]" 2 39 1 101 GLU O 1 105 ARG H 1.900 . 2.300 2.272 2.272 2.272 . 0 0 "[ ]" 2 40 1 102 ALA O 1 106 GLN H 1.900 . 2.300 2.249 2.249 2.249 . 0 0 "[ ]" 2 41 1 122 GLU O 1 126 ARG H 1.900 . 2.300 2.160 2.160 2.160 . 0 0 "[ ]" 2 42 1 124 LEU O 1 128 SER H 1.900 . 2.300 2.293 2.293 2.293 . 0 0 "[ ]" 2 43 1 123 GLN O 1 127 LYS H 1.900 . 2.300 2.305 2.305 2.305 0.005 1 0 "[ ]" 2 44 1 130 ALA O 1 134 LYS H 1.900 . 2.300 2.106 2.106 2.106 . 0 0 "[ ]" 2 45 1 131 GLN O 1 135 GLU H 1.900 . 2.300 2.260 2.260 2.260 . 0 0 "[ ]" 2 46 1 132 ALA O 1 136 LYS H 1.900 . 2.300 2.317 2.317 2.317 0.017 1 0 "[ ]" 2 47 1 125 LEU O 1 129 GLU H 1.900 . 2.300 2.169 2.169 2.169 . 0 0 "[ ]" 2 48 1 126 ARG O 1 130 ALA H 1.900 . 2.300 2.282 2.282 2.282 . 0 0 "[ ]" 2 49 1 127 LYS O 1 131 GLN H 1.900 . 2.300 2.178 2.178 2.178 . 0 0 "[ ]" 2 50 1 128 SER O 1 132 ALA H 1.900 . 2.300 2.160 2.160 2.160 . 0 0 "[ ]" 2 51 1 129 GLU O 1 133 LYS H 1.900 . 2.300 2.242 2.242 2.242 . 0 0 "[ ]" 2 52 1 33 THR O 1 88 GLY H 1.900 . 2.300 2.202 2.202 2.202 . 0 0 "[ ]" 2 53 1 18 ILE H 1 22 THR O 1.900 . 2.300 2.197 2.197 2.197 . 0 0 "[ ]" 2 54 1 21 ASP O 1 36 LEU H 1.900 . 2.300 2.262 2.262 2.262 . 0 0 "[ ]" 2 55 1 19 ASP H 1 22 THR O 1.900 . 2.300 2.160 2.160 2.160 . 0 0 "[ ]" 2 56 1 37 LEU H 1 90 ALA O 1.900 . 2.300 2.271 2.271 2.271 . 0 0 "[ ]" 2 57 1 12 ALA N 1 72 ILE O 2.900 2.400 3.300 3.148 3.148 3.148 . 0 0 "[ ]" 2 58 1 13 THR O 1 26 MET N 2.900 2.400 3.300 2.984 2.984 2.984 . 0 0 "[ ]" 2 59 1 13 THR N 1 26 MET O 2.900 2.400 3.300 3.283 3.283 3.283 . 0 0 "[ ]" 2 60 1 23 VAL N 1 34 PHE O 2.900 2.400 3.300 3.127 3.127 3.127 . 0 0 "[ ]" 2 61 1 25 LEU N 1 32 MET O 2.900 2.400 3.300 3.159 3.159 3.159 . 0 0 "[ ]" 2 62 1 27 TYR N 1 30 GLN O 2.900 2.400 3.300 2.978 2.978 2.978 . 0 0 "[ ]" 2 63 1 27 TYR O 1 30 GLN N 2.900 2.400 3.300 2.962 2.962 2.962 . 0 0 "[ ]" 2 64 1 25 LEU O 1 32 MET N 2.900 2.400 3.300 3.279 3.279 3.279 . 0 0 "[ ]" 2 65 1 23 VAL O 1 34 PHE N 2.900 2.400 3.300 2.801 2.801 2.801 . 0 0 "[ ]" 2 66 1 35 ARG N 1 88 GLY O 2.900 2.400 3.300 3.132 3.132 3.132 . 0 0 "[ ]" 2 67 1 38 LEU O 1 112 ALA N 2.900 2.400 3.300 3.172 3.172 3.172 . 0 0 "[ ]" 2 68 1 40 ASP N 1 110 LYS O 2.900 2.400 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 2 69 1 40 ASP O 1 110 LYS N 2.900 2.400 3.300 3.162 3.162 3.162 . 0 0 "[ ]" 2 70 1 16 LYS O 1 24 LYS N 2.900 2.400 3.300 3.058 3.058 3.058 . 0 0 "[ ]" 2 71 1 16 LYS N 1 24 LYS O 2.900 2.400 3.300 3.195 3.195 3.195 . 0 0 "[ ]" 2 72 1 81 ARG O 1 89 LEU N 2.900 2.400 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 2 73 1 83 ASP N 1 87 ARG O 2.900 2.400 3.300 3.016 3.016 3.016 . 0 0 "[ ]" 2 74 1 10 GLU N 1 74 VAL O 2.900 2.400 3.300 3.186 3.186 3.186 . 0 0 "[ ]" 2 75 1 10 GLU O 1 74 VAL N 2.900 2.400 3.300 3.078 3.078 3.078 . 0 0 "[ ]" 2 76 1 73 GLU O 1 93 TYR N 2.900 2.400 3.300 2.943 2.943 2.943 . 0 0 "[ ]" 2 77 1 73 GLU N 1 93 TYR O 2.900 2.400 3.300 3.234 3.234 3.234 . 0 0 "[ ]" 2 78 1 75 GLU N 1 91 TYR O 2.900 2.400 3.300 3.126 3.126 3.126 . 0 0 "[ ]" 2 79 1 75 GLU O 1 91 TYR N 2.900 2.400 3.300 3.189 3.189 3.189 . 0 0 "[ ]" 2 80 1 94 ALA N 1 97 LYS O 2.900 2.400 3.300 2.794 2.794 2.794 . 0 0 "[ ]" 2 81 1 94 ALA O 1 97 LYS N 2.900 2.400 3.300 2.953 2.953 2.953 . 0 0 "[ ]" 2 82 1 92 ILE O 1 99 VAL N 2.900 2.400 3.300 2.902 2.902 2.902 . 0 0 "[ ]" 2 83 1 57 GLU O 1 61 PHE N 2.900 2.400 3.300 3.024 3.024 3.024 . 0 0 "[ ]" 2 84 1 58 ALA O 1 62 THR N 2.900 2.400 3.300 2.950 2.950 2.950 . 0 0 "[ ]" 2 85 1 59 SER O 1 63 LYS N 2.900 2.400 3.300 3.130 3.130 3.130 . 0 0 "[ ]" 2 86 1 60 ALA O 1 64 LYS N 2.900 2.400 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 2 87 1 61 PHE O 1 65 MET N 2.900 2.400 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 2 88 1 62 THR O 1 66 VAL N 2.900 2.400 3.300 3.121 3.121 3.121 . 0 0 "[ ]" 2 89 1 63 LYS O 1 67 GLU N 2.900 2.400 3.300 2.947 2.947 2.947 . 0 0 "[ ]" 2 90 1 64 LYS O 1 68 ASN N 2.900 2.400 3.300 3.094 3.094 3.094 . 0 0 "[ ]" 2 91 1 65 MET O 1 69 ALA N 2.900 2.400 3.300 3.006 3.006 3.006 . 0 0 "[ ]" 2 92 1 98 MET O 1 102 ALA N 2.900 2.400 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 2 93 1 99 VAL O 1 103 LEU N 2.900 2.400 3.300 3.082 3.082 3.082 . 0 0 "[ ]" 2 94 1 100 ASN O 1 104 VAL N 2.900 2.400 3.300 3.106 3.106 3.106 . 0 0 "[ ]" 2 95 1 101 GLU O 1 105 ARG N 2.900 2.400 3.300 3.139 3.139 3.139 . 0 0 "[ ]" 2 96 1 102 ALA O 1 106 GLN N 2.900 2.400 3.300 2.870 2.870 2.870 . 0 0 "[ ]" 2 97 1 122 GLU O 1 126 ARG N 2.900 2.400 3.300 3.008 3.008 3.008 . 0 0 "[ ]" 2 98 1 124 LEU O 1 128 SER N 2.900 2.400 3.300 3.259 3.259 3.259 . 0 0 "[ ]" 2 99 1 123 GLN O 1 127 LYS N 2.900 2.400 3.300 3.164 3.164 3.164 . 0 0 "[ ]" 2 100 1 130 ALA O 1 134 LYS N 2.900 2.400 3.300 2.782 2.782 2.782 . 0 0 "[ ]" 2 101 1 131 GLN O 1 135 GLU N 2.900 2.400 3.300 2.882 2.882 2.882 . 0 0 "[ ]" 2 102 1 132 ALA O 1 136 LYS N 2.900 2.400 3.300 2.975 2.975 2.975 . 0 0 "[ ]" 2 103 1 125 LEU O 1 129 GLU N 2.900 2.400 3.300 3.096 3.096 3.096 . 0 0 "[ ]" 2 104 1 126 ARG O 1 130 ALA N 2.900 2.400 3.300 3.158 3.158 3.158 . 0 0 "[ ]" 2 105 1 127 LYS O 1 131 GLN N 2.900 2.400 3.300 3.062 3.062 3.062 . 0 0 "[ ]" 2 106 1 128 SER O 1 132 ALA N 2.900 2.400 3.300 3.133 3.133 3.133 . 0 0 "[ ]" 2 107 1 129 GLU O 1 133 LYS N 2.900 2.400 3.300 3.161 3.161 3.161 . 0 0 "[ ]" 2 108 1 33 THR O 1 88 GLY N 2.900 2.400 3.300 2.941 2.941 2.941 . 0 0 "[ ]" 2 109 1 18 ILE N 1 22 THR O 2.900 2.400 3.300 3.132 3.132 3.132 . 0 0 "[ ]" 2 110 1 21 ASP O 1 36 LEU N 2.900 2.400 3.300 3.162 3.162 3.162 . 0 0 "[ ]" 2 111 1 19 ASP N 1 22 THR O 2.900 2.400 3.300 3.052 3.052 3.052 . 0 0 "[ ]" 2 112 1 37 LEU N 1 90 ALA O 2.900 2.400 3.300 3.150 3.150 3.150 . 0 0 "[ ]" 2 stop_ save_
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