NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
532406 | 2l21 | 17110 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l21 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 1027 _Distance_constraint_stats_list.Viol_count 685 _Distance_constraint_stats_list.Viol_total 1585.270 _Distance_constraint_stats_list.Viol_max 0.999 _Distance_constraint_stats_list.Viol_rms 0.0379 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0039 _Distance_constraint_stats_list.Viol_average_violations_only 0.1157 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 SER 0.123 0.038 17 0 "[ . 1 . 2]" 1 4 ASN 4.136 0.496 7 0 "[ . 1 . 2]" 1 5 VAL 1.450 0.163 12 0 "[ . 1 . 2]" 1 6 GLN 7.586 0.879 4 4 "[ +. - * . *]" 1 7 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 ASP 0.543 0.096 15 0 "[ . 1 . 2]" 1 9 CYS 0.169 0.085 2 0 "[ . 1 . 2]" 1 10 ARG 1.015 0.264 12 0 "[ . 1 . 2]" 1 11 VAL 1.280 0.140 7 0 "[ . 1 . 2]" 1 12 THR 0.287 0.151 6 0 "[ . 1 . 2]" 1 13 ASN 0.812 0.224 15 0 "[ . 1 . 2]" 1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 ALA 0.116 0.116 13 0 "[ . 1 . 2]" 1 16 THR 1.131 0.709 10 1 "[ . + . 2]" 1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 HIS 0.116 0.116 13 0 "[ . 1 . 2]" 1 19 LEU 1.593 0.264 12 0 "[ . 1 . 2]" 1 20 PHE 1.346 0.164 8 0 "[ . 1 . 2]" 1 21 ASP 0.330 0.264 12 0 "[ . 1 . 2]" 1 22 LEU 2.629 0.417 11 0 "[ . 1 . 2]" 1 23 THR 0.094 0.028 20 0 "[ . 1 . 2]" 1 24 SER 0.108 0.038 17 0 "[ . 1 . 2]" 1 25 LEU 6.968 0.673 11 1 "[ . 1+ . 2]" 1 26 LYS 16.186 0.993 13 9 "[* *. *** *+*. -]" 1 27 ARG 4.556 0.999 2 1 "[ + . 1 . 2]" 1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 SER 1.792 0.989 17 1 "[ . 1 . + 2]" 1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 TYR 5.501 0.974 3 4 "[* + . 1- .* 2]" 1 32 THR 2.008 0.276 3 0 "[ . 1 . 2]" 1 33 ILE 3.570 0.693 6 2 "[ .+ 1 . -2]" 1 34 THR 2.263 0.265 10 0 "[ . 1 . 2]" 1 35 ASP 1.136 0.502 8 1 "[ . + 1 . 2]" 1 36 SER 4.640 0.947 6 4 "[* -+ 1 . *]" 1 37 HIS 1.607 0.265 10 0 "[ . 1 . 2]" 1 38 ASN 4.061 0.693 6 2 "[ .+ 1 . -2]" 1 39 ARG 4.778 0.947 6 4 "[* -+ 1 . *]" 1 40 LYS 2.268 0.693 6 2 "[ .+ 1 . -2]" 1 41 ILE 2.276 0.089 4 0 "[ . 1 . 2]" 1 42 GLU 0.504 0.085 10 0 "[ . 1 . 2]" 1 43 LEU 5.949 0.798 1 2 "[+ . 1 . -]" 1 44 ASN 2.237 0.589 20 1 "[ . 1 . +]" 1 45 VAL 7.267 0.974 3 3 "[- + . 1 .* 2]" 1 46 CYS 1.363 0.375 8 0 "[ . 1 . 2]" 1 47 ALA 4.100 0.906 14 2 "[ . 1- +. 2]" 1 48 GLU 10.910 0.993 13 9 "[* *. *** *+-. *]" 1 49 ALA 0.488 0.085 10 0 "[ . 1 . 2]" 1 50 LYS 1.717 0.989 17 1 "[ . 1 . + 2]" 1 51 SER 2.206 0.589 20 1 "[ . 1 . +]" 1 52 SER 0.251 0.107 13 0 "[ . 1 . 2]" 1 53 CYS 0.332 0.107 13 0 "[ . 1 . 2]" 1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 ASN 2.842 0.331 16 0 "[ . 1 . 2]" 1 56 GLY 0.816 0.157 5 0 "[ . 1 . 2]" 1 57 ALA 2.876 0.331 16 0 "[ . 1 . 2]" 1 58 ALA 0.453 0.108 4 0 "[ . 1 . 2]" 1 59 VAL 3.100 0.906 14 1 "[ . 1 +. 2]" 1 60 CYS 0.092 0.054 9 0 "[ . 1 . 2]" 1 61 ILE 1.525 0.502 8 1 "[ . + 1 . 2]" 1 62 THR 0.533 0.068 2 0 "[ . 1 . 2]" 1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 GLY 0.408 0.064 9 0 "[ . 1 . 2]" 1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 LYS 0.528 0.355 14 0 "[ . 1 . 2]" 1 67 THR 0.081 0.035 15 0 "[ . 1 . 2]" 1 68 LEU 0.369 0.355 14 0 "[ . 1 . 2]" 1 69 ASN 1.312 0.906 14 1 "[ . 1 +. 2]" 1 70 ALA 0.407 0.182 9 0 "[ . 1 . 2]" 1 71 GLY 0.123 0.054 9 0 "[ . 1 . 2]" 1 72 LYS 10.635 0.993 13 9 "[* *. *** *+-. *]" 1 73 LEU 3.479 0.331 16 0 "[ . 1 . 2]" 1 74 SER 1.004 0.375 8 0 "[ . 1 . 2]" 1 75 LYS 8.413 0.640 4 2 "[ +. 1 . -]" 1 76 THR 0.622 0.194 11 0 "[ . 1 . 2]" 1 77 LEU 1.316 0.316 6 0 "[ . 1 . 2]" 1 78 THR 1.757 0.331 19 0 "[ . 1 . 2]" 1 79 TYR 1.873 0.709 10 1 "[ . + . 2]" 1 80 GLU 0.317 0.125 14 0 "[ . 1 . 2]" 1 81 ASP 0.042 0.029 15 0 "[ . 1 . 2]" 1 82 GLN 0.580 0.224 15 0 "[ . 1 . 2]" 1 83 VAL 0.344 0.106 1 0 "[ . 1 . 2]" 1 84 LEU 0.657 0.236 17 0 "[ . 1 . 2]" 1 85 LYS 1.885 0.502 8 1 "[ . + 1 . 2]" 1 86 LEU 3.132 0.502 8 1 "[ . + 1 . 2]" 1 87 VAL 4.224 0.589 20 1 "[ . 1 . +]" 1 88 TYR 7.957 0.974 3 4 "[* + . 1 .* -]" 1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 ASP 0.005 0.005 18 0 "[ . 1 . 2]" 1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 94 CYS 0.011 0.011 6 0 "[ . 1 . 2]" 1 95 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 96 THR 0.587 0.182 9 0 "[ . 1 . 2]" 1 97 ASP 0.427 0.171 4 0 "[ . 1 . 2]" 1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 99 LYS 0.372 0.171 4 0 "[ . 1 . 2]" 1 100 MET 0.685 0.190 7 0 "[ . 1 . 2]" 1 101 LYS 0.555 0.190 7 0 "[ . 1 . 2]" 1 102 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 103 LYS 1.116 0.212 15 0 "[ . 1 . 2]" 1 104 SER 0.169 0.112 17 0 "[ . 1 . 2]" 1 105 TYR 2.124 0.589 20 1 "[ . 1 . +]" 1 106 PHE 2.879 0.502 8 1 "[ . + 1 . 2]" 1 107 SER 0.738 0.157 11 0 "[ . 1 . 2]" 1 108 PHE 2.302 0.496 7 0 "[ . 1 . 2]" 1 109 VAL 1.782 0.276 3 0 "[ . 1 . 2]" 1 110 CYS 1.811 0.595 3 1 "[ + . 1 . 2]" 1 111 LYS 2.498 0.375 8 0 "[ . 1 . 2]" 1 112 SER 0.273 0.063 11 0 "[ . 1 . 2]" 1 113 ASP 0.194 0.096 15 0 "[ . 1 . 2]" 1 114 ALA 0.883 0.157 11 0 "[ . 1 . 2]" 1 115 GLY 2.440 0.375 8 0 "[ . 1 . 2]" 1 116 ASP 1.037 0.335 1 0 "[ . 1 . 2]" 1 117 ASP 2.911 0.999 2 1 "[ + . 1 . 2]" 1 118 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 119 GLN 1.190 0.157 11 0 "[ . 1 . 2]" 1 120 PRO 2.129 0.304 10 0 "[ . 1 . 2]" 1 121 VAL 0.371 0.106 1 0 "[ . 1 . 2]" 1 122 PHE 7.106 0.798 1 4 "[+ .* 1 . *-]" 1 123 LEU 3.513 0.281 8 0 "[ . 1 . 2]" 1 124 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 125 PHE 1.319 0.595 3 1 "[ + . 1 . 2]" 1 126 ASP 0.376 0.281 8 0 "[ . 1 . 2]" 1 127 GLU 0.518 0.182 9 0 "[ . 1 . 2]" 1 128 GLN 0.587 0.163 8 0 "[ . 1 . 2]" 1 129 THR 0.166 0.043 14 0 "[ . 1 . 2]" 1 130 CYS 0.023 0.023 5 0 "[ . 1 . 2]" 1 131 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 132 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 133 TYR 1.170 0.595 3 1 "[ + . 1 . 2]" 1 134 PHE 0.173 0.043 14 0 "[ . 1 . 2]" 1 135 SER 0.077 0.051 17 0 "[ . 1 . 2]" 1 136 TRP 3.148 0.999 2 2 "[ + . 1- . 2]" 1 137 HIS 0.635 0.345 10 0 "[ . 1 . 2]" 1 138 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 139 SER 0.883 0.375 8 0 "[ . 1 . 2]" 1 140 LEU 0.678 0.151 6 0 "[ . 1 . 2]" 1 141 ALA 2.159 0.276 3 0 "[ . 1 . 2]" 1 142 CYS 3.287 0.709 10 2 "[ - . + . 2]" 1 143 GLU 1.048 0.252 5 0 "[ . 1 . 2]" 1 144 GLU 0.748 0.162 11 0 "[ . 1 . 2]" 1 145 GLU 0.757 0.252 5 0 "[ . 1 . 2]" 1 146 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 147 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 148 ARG 0.262 0.252 5 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 21 ASP HA 1 22 LEU MD2 5.100 . 6.000 4.422 4.135 4.799 . 0 0 "[ . 1 . 2]" 1 2 1 22 LEU HA 1 22 LEU MD2 2.700 . 3.600 2.050 1.890 2.129 . 0 0 "[ . 1 . 2]" 1 3 1 22 LEU MD2 1 25 LEU HB3 4.000 . 6.000 3.744 2.795 4.683 . 0 0 "[ . 1 . 2]" 1 4 1 22 LEU QB 1 22 LEU MD2 2.200 . 2.800 2.235 2.136 2.309 . 0 0 "[ . 1 . 2]" 1 5 1 22 LEU MD2 1 25 LEU MD1 3.200 . 4.500 2.580 1.949 3.421 . 0 0 "[ . 1 . 2]" 1 6 1 22 LEU MD2 1 45 VAL MG1 2.900 . 4.000 3.106 2.658 3.516 . 0 0 "[ . 1 . 2]" 1 7 1 61 ILE MG 1 64 GLY H 3.700 . 5.400 4.224 3.903 4.643 . 0 0 "[ . 1 . 2]" 1 8 1 39 ARG H 1 61 ILE MG 4.200 . 6.000 4.913 3.630 5.668 . 0 0 "[ . 1 . 2]" 1 9 1 32 THR HA 1 61 ILE MG 2.700 . 6.000 5.874 5.578 6.047 0.047 7 0 "[ . 1 . 2]" 1 10 1 61 ILE HA 1 61 ILE MG 2.500 . 3.300 2.343 2.287 2.427 . 0 0 "[ . 1 . 2]" 1 11 1 61 ILE MG 1 63 ASP HA 3.600 . 5.200 4.239 3.768 4.918 . 0 0 "[ . 1 . 2]" 1 12 1 35 ASP QB 1 61 ILE MG 3.200 . 4.500 2.906 2.505 3.514 . 0 0 "[ . 1 . 2]" 1 13 1 40 LYS QG 1 61 ILE MG 3.500 . 5.000 3.843 3.451 4.165 . 0 0 "[ . 1 . 2]" 1 14 1 59 VAL MG2 1 61 ILE MG 4.400 . 6.000 5.108 4.731 5.338 . 0 0 "[ . 1 . 2]" 1 15 1 60 CYS H 1 61 ILE MD 3.700 . 5.400 3.160 2.993 3.345 . 0 0 "[ . 1 . 2]" 1 16 1 58 ALA H 1 61 ILE MD 3.100 . 4.300 4.052 3.746 4.275 . 0 0 "[ . 1 . 2]" 1 17 1 61 ILE MD 1 68 LEU HB2 2.800 . 3.800 3.095 2.591 3.668 . 0 0 "[ . 1 . 2]" 1 18 1 61 ILE MD 1 68 LEU HG 4.500 . 6.000 5.245 4.790 5.541 . 0 0 "[ . 1 . 2]" 1 19 1 33 ILE HA 1 34 THR HB 4.000 . 6.000 4.221 3.904 4.355 . 0 0 "[ . 1 . 2]" 1 20 1 16 THR HB 1 79 TYR QB 4.800 . 6.000 5.689 4.731 6.709 0.709 10 1 "[ . + . 2]" 1 21 1 16 THR HB 1 16 THR MG 2.100 . 2.700 1.900 1.891 1.906 . 0 0 "[ . 1 . 2]" 1 22 1 113 ASP H 1 114 ALA MB 3.700 . 5.400 3.001 2.115 3.914 . 0 0 "[ . 1 . 2]" 1 23 1 113 ASP HA 1 114 ALA MB 4.600 . 6.000 4.392 3.866 4.834 . 0 0 "[ . 1 . 2]" 1 24 1 15 ALA MB 1 16 THR HA 3.800 . 5.600 3.560 3.152 3.890 . 0 0 "[ . 1 . 2]" 1 25 1 15 ALA HA 1 15 ALA MB 2.000 . 2.500 2.119 2.063 2.129 . 0 0 "[ . 1 . 2]" 1 26 1 15 ALA MB 1 18 HIS HB3 3.400 . 4.900 3.313 2.199 5.016 0.116 13 0 "[ . 1 . 2]" 1 27 1 111 LYS QD 1 114 ALA MB 2.800 . 6.000 3.333 1.898 5.184 . 0 0 "[ . 1 . 2]" 1 28 1 15 ALA MB 1 16 THR MG 3.500 . 5.000 4.112 2.865 4.409 . 0 0 "[ . 1 . 2]" 1 29 1 44 ASN HB3 1 45 VAL H 3.200 . 4.400 2.827 2.523 3.112 . 0 0 "[ . 1 . 2]" 1 30 1 26 LYS QE 1 75 LYS HA 3.600 . 5.200 5.224 4.828 5.789 0.589 20 1 "[ . 1 . +]" 1 31 1 35 ASP QB 1 36 SER HA 2.800 . 3.800 2.593 2.104 3.224 . 0 0 "[ . 1 . 2]" 1 32 1 6 GLN HB2 1 46 CYS HB3 3.000 . 6.000 3.935 2.325 5.800 . 0 0 "[ . 1 . 2]" 1 33 1 25 LEU HB3 1 46 CYS HB3 3.100 . 4.300 3.307 1.583 4.279 0.317 19 0 "[ . 1 . 2]" 1 34 1 25 LEU MD1 1 31 TYR QD 3.100 . 4.300 3.176 1.858 4.973 0.673 11 1 "[ . 1+ . 2]" 1 35 1 25 LEU MD1 1 44 ASN HA 3.200 . 4.400 2.811 2.258 4.078 . 0 0 "[ . 1 . 2]" 1 36 1 22 LEU HA 1 25 LEU MD1 2.400 . 3.100 2.306 1.812 3.517 0.417 11 0 "[ . 1 . 2]" 1 37 1 25 LEU MD1 1 26 LYS QG 3.300 . 4.700 3.610 2.822 4.242 . 0 0 "[ . 1 . 2]" 1 38 1 22 LEU HG 1 25 LEU MD1 3.000 . 4.500 2.968 2.247 3.684 . 0 0 "[ . 1 . 2]" 1 39 1 47 ALA MB 1 49 ALA H 3.400 . 4.800 2.333 2.154 2.775 . 0 0 "[ . 1 . 2]" 1 40 1 47 ALA MB 1 76 THR H 3.300 . 6.000 5.684 5.048 6.043 0.043 15 0 "[ . 1 . 2]" 1 41 1 59 VAL HA 1 59 VAL MG1 2.800 . 3.400 2.434 2.346 3.236 . 0 0 "[ . 1 . 2]" 1 42 1 6 GLN HA 1 47 ALA MB 3.400 . 4.800 3.088 2.524 3.870 . 0 0 "[ . 1 . 2]" 1 43 1 28 GLU HA 1 47 ALA MB 2.000 . 6.000 3.883 2.787 4.757 . 0 0 "[ . 1 . 2]" 1 44 1 32 THR MG 1 33 ILE H 3.500 . 5.000 3.429 2.098 3.982 . 0 0 "[ . 1 . 2]" 1 45 1 32 THR MG 1 41 ILE H 3.400 . 4.900 3.520 3.121 4.143 . 0 0 "[ . 1 . 2]" 1 46 1 59 VAL MG2 1 72 LYS H 3.000 . 4.100 3.676 3.154 4.146 0.046 17 0 "[ . 1 . 2]" 1 47 1 32 THR H 1 32 THR MG 2.700 . 3.600 2.051 1.812 2.436 . 0 0 "[ . 1 . 2]" 1 48 1 59 VAL MG2 1 71 GLY H 4.100 . 6.000 3.562 3.141 4.051 . 0 0 "[ . 1 . 2]" 1 49 1 31 TYR HA 1 32 THR MG 2.900 . 4.000 2.904 2.468 3.184 . 0 0 "[ . 1 . 2]" 1 50 1 59 VAL HA 1 59 VAL MG2 2.600 . 3.400 2.356 2.192 2.487 . 0 0 "[ . 1 . 2]" 1 51 1 59 VAL HA 1 59 VAL MG2 2.600 . 3.500 2.450 2.390 2.534 . 0 0 "[ . 1 . 2]" 1 52 1 62 THR HB 1 62 THR MG 2.100 . 2.600 1.897 1.879 1.910 . 0 0 "[ . 1 . 2]" 1 53 1 32 THR HB 1 32 THR MG 2.300 . 2.900 2.068 1.695 2.121 0.005 2 0 "[ . 1 . 2]" 1 54 1 27 ARG HD3 1 32 THR MG 4.500 . 6.000 3.844 3.175 4.561 . 0 0 "[ . 1 . 2]" 1 55 1 59 VAL MG2 1 72 LYS QE 4.500 . 6.000 4.608 3.330 5.641 . 0 0 "[ . 1 . 2]" 1 56 1 43 LEU HB3 1 59 VAL MG2 3.000 . 4.200 2.684 1.675 3.304 0.125 14 0 "[ . 1 . 2]" 1 57 1 59 VAL MG2 1 72 LYS QG 2.300 . 3.000 2.696 2.108 3.331 0.331 19 0 "[ . 1 . 2]" 1 58 1 32 THR MG 1 33 ILE QG 3.200 . 4.500 4.115 3.810 4.317 . 0 0 "[ . 1 . 2]" 1 59 1 87 VAL MG2 1 105 TYR QD 3.800 . 5.600 4.895 4.383 5.403 . 0 0 "[ . 1 . 2]" 1 60 1 87 VAL MG2 1 105 TYR QE 3.700 . 5.400 4.663 4.388 5.045 . 0 0 "[ . 1 . 2]" 1 61 1 87 VAL MG2 1 89 GLU HB2 4.000 . 6.000 5.367 4.307 5.998 . 0 0 "[ . 1 . 2]" 1 62 1 53 CYS HB2 1 54 ALA MB 4.300 . 6.000 4.717 4.068 5.526 . 0 0 "[ . 1 . 2]" 1 63 1 53 CYS HA 1 57 ALA MB 4.500 . 5.500 4.019 3.291 4.826 . 0 0 "[ . 1 . 2]" 1 64 1 100 MET ME 1 101 LYS H 3.300 . 4.800 4.376 3.477 4.990 0.190 7 0 "[ . 1 . 2]" 1 65 1 97 ASP H 1 100 MET ME 4.000 . 6.000 5.362 3.555 6.035 0.035 4 0 "[ . 1 . 2]" 1 66 1 21 ASP HB2 1 22 LEU H 4.400 . 6.000 3.403 2.722 3.968 . 0 0 "[ . 1 . 2]" 1 67 1 19 LEU HG 1 21 ASP HB2 2.600 . 3.400 2.380 2.126 3.014 . 0 0 "[ . 1 . 2]" 1 68 1 63 ASP QB 1 65 PRO HG2 3.300 . 4.700 3.091 2.016 4.114 . 0 0 "[ . 1 . 2]" 1 69 1 9 CYS HB3 1 73 LEU QD 3.000 . 5.100 3.291 2.052 4.430 . 0 0 "[ . 1 . 2]" 1 70 1 80 GLU HA 1 81 ASP HB3 4.400 . 6.000 4.089 3.719 4.840 . 0 0 "[ . 1 . 2]" 1 71 1 31 TYR QB 1 32 THR H 4.000 . 6.000 2.911 2.377 3.489 . 0 0 "[ . 1 . 2]" 1 72 1 72 LYS H 1 90 ASP HB2 4.100 . 6.000 3.566 3.095 3.668 . 0 0 "[ . 1 . 2]" 1 73 1 122 PHE HB2 1 122 PHE QD 3.200 . 4.500 2.217 2.035 2.320 . 0 0 "[ . 1 . 2]" 1 74 1 33 ILE MD 1 122 PHE HB2 4.600 . 6.000 3.827 3.341 4.416 . 0 0 "[ . 1 . 2]" 1 75 1 3 SER HA 1 4 ASN HB2 2.800 . 3.800 2.513 2.328 3.018 . 0 0 "[ . 1 . 2]" 1 76 1 53 CYS HB2 1 57 ALA MB 2.900 . 4.000 2.942 2.076 4.003 0.003 13 0 "[ . 1 . 2]" 1 77 1 6 GLN QG 1 27 ARG H 3.600 . 6.000 5.050 4.174 5.738 . 0 0 "[ . 1 . 2]" 1 78 1 5 VAL HB 1 6 GLN H 4.400 . 6.000 3.641 2.727 4.286 . 0 0 "[ . 1 . 2]" 1 79 1 9 CYS HA 1 26 LYS HB2 3.500 . 5.000 3.539 2.597 4.407 . 0 0 "[ . 1 . 2]" 1 80 1 48 GLU H 1 48 GLU HB3 2.800 . 3.800 2.626 2.259 3.419 . 0 0 "[ . 1 . 2]" 1 81 1 50 LYS HB3 1 51 SER H 3.500 . 5.000 3.243 2.125 3.610 . 0 0 "[ . 1 . 2]" 1 82 1 13 ASN QD 1 143 GLU QB 3.800 . 6.000 5.427 2.720 5.838 . 0 0 "[ . 1 . 2]" 1 83 1 6 GLN HB2 1 8 ASP H 2.900 . 3.900 2.695 2.219 3.238 . 0 0 "[ . 1 . 2]" 1 84 1 6 GLN HB3 1 75 LYS HA 4.900 . 6.000 4.466 4.097 4.971 . 0 0 "[ . 1 . 2]" 1 85 1 127 GLU HA 1 127 GLU QB 2.400 . 3.100 2.186 2.105 2.346 . 0 0 "[ . 1 . 2]" 1 86 1 146 VAL HA 1 147 PRO QG 4.000 . 6.000 3.158 2.835 3.287 . 0 0 "[ . 1 . 2]" 1 87 1 75 LYS H 1 75 LYS QG 3.400 . 4.900 3.171 1.850 4.026 0.050 10 0 "[ . 1 . 2]" 1 88 1 73 LEU QD 1 75 LYS QG 3.000 . 5.100 2.776 1.941 3.323 . 0 0 "[ . 1 . 2]" 1 89 1 110 CYS H 1 141 ALA MB 3.000 . 4.100 2.737 2.287 3.207 . 0 0 "[ . 1 . 2]" 1 90 1 84 LEU H 1 141 ALA MB 3.800 . 5.300 2.825 2.658 3.142 . 0 0 "[ . 1 . 2]" 1 91 1 57 ALA MB 1 58 ALA HA 4.000 . 6.000 3.840 3.695 4.006 . 0 0 "[ . 1 . 2]" 1 92 1 27 ARG H 1 29 SER HB2 2.900 . 3.900 2.954 2.513 3.658 . 0 0 "[ . 1 . 2]" 1 93 1 29 SER HA 1 29 SER HB2 2.500 . 3.300 2.481 2.306 2.700 . 0 0 "[ . 1 . 2]" 1 94 1 2 LYS HA 1 3 SER QB 2.500 . 3.300 2.662 2.438 2.992 . 0 0 "[ . 1 . 2]" 1 95 1 3 SER QB 1 26 LYS HD2 4.100 . 6.000 4.089 2.584 4.663 . 0 0 "[ . 1 . 2]" 1 96 1 5 VAL HA 1 8 ASP H 4.400 . 6.000 5.796 4.996 6.095 0.095 15 0 "[ . 1 . 2]" 1 97 1 4 ASN HA 1 5 VAL HA 4.000 . 6.000 4.367 4.206 5.299 . 0 0 "[ . 1 . 2]" 1 98 1 5 VAL HA 1 5 VAL HB 2.200 . 2.800 2.627 2.408 2.963 0.163 12 0 "[ . 1 . 2]" 1 99 1 5 VAL HA 1 23 THR MG 3.300 . 4.700 2.563 1.872 4.317 0.028 20 0 "[ . 1 . 2]" 1 100 1 4 ASN HB2 1 6 GLN HA 5.000 . 6.000 4.829 4.288 5.601 . 0 0 "[ . 1 . 2]" 1 101 1 6 GLN HA 1 6 GLN HB2 2.500 . 3.300 2.844 2.352 3.031 . 0 0 "[ . 1 . 2]" 1 102 1 144 GLU HA 1 145 GLU H 2.800 . 3.600 2.362 2.049 2.781 . 0 0 "[ . 1 . 2]" 1 103 1 144 GLU H 1 144 GLU HA 1.800 . 2.200 2.063 1.871 2.187 . 0 0 "[ . 1 . 2]" 1 104 1 144 GLU HA 1 144 GLU QG 2.800 . 3.700 2.298 2.103 2.742 . 0 0 "[ . 1 . 2]" 1 105 1 144 GLU HA 1 144 GLU HB3 2.400 . 3.000 2.256 2.034 2.405 . 0 0 "[ . 1 . 2]" 1 106 1 22 LEU HG 1 140 LEU HA 3.400 . 4.800 3.321 2.620 3.702 . 0 0 "[ . 1 . 2]" 1 107 1 25 LEU HA 1 26 LYS H 3.800 . 5.600 3.252 3.061 3.436 . 0 0 "[ . 1 . 2]" 1 108 1 22 LEU QB 1 25 LEU HA 2.400 . 3.100 2.691 2.409 2.942 . 0 0 "[ . 1 . 2]" 1 109 1 25 LEU HA 1 25 LEU MD1 2.700 . 3.600 2.404 1.813 3.709 0.109 3 0 "[ . 1 . 2]" 1 110 1 114 ALA HA 1 115 GLY H 2.800 . 3.800 3.186 2.681 3.525 . 0 0 "[ . 1 . 2]" 1 111 1 111 LYS HG2 1 114 ALA HA 3.700 . 5.400 3.661 2.500 4.191 . 0 0 "[ . 1 . 2]" 1 112 1 47 ALA HA 1 48 GLU H 2.400 . 2.900 1.946 1.853 2.086 . 0 0 "[ . 1 . 2]" 1 113 1 6 GLN QG 1 47 ALA HA 2.400 . 3.100 2.322 1.701 3.051 . 0 0 "[ . 1 . 2]" 1 114 1 6 GLN HB2 1 47 ALA HA 3.500 . 5.000 3.789 3.324 4.368 . 0 0 "[ . 1 . 2]" 1 115 1 47 ALA HA 1 73 LEU QD 3.400 . 4.900 2.766 1.973 3.626 . 0 0 "[ . 1 . 2]" 1 116 1 45 VAL MG2 1 47 ALA HA 2.800 . 3.800 2.761 1.973 3.612 . 0 0 "[ . 1 . 2]" 1 117 1 10 ARG H 1 10 ARG HG2 3.300 . 4.700 2.846 2.492 3.739 . 0 0 "[ . 1 . 2]" 1 118 1 27 ARG HA 1 27 ARG HG2 3.500 . 5.100 2.374 2.004 2.937 . 0 0 "[ . 1 . 2]" 1 119 1 33 ILE QG 1 41 ILE H 3.600 . 5.200 2.754 2.337 3.090 . 0 0 "[ . 1 . 2]" 1 120 1 2 LYS QE 1 2 LYS QG 2.400 . 3.100 2.082 1.960 2.288 . 0 0 "[ . 1 . 2]" 1 121 1 61 ILE MD 1 122 PHE QD 4.500 . 6.000 5.207 4.682 5.721 . 0 0 "[ . 1 . 2]" 1 122 1 31 TYR HB3 1 33 ILE MD 3.900 . 5.800 3.807 3.263 4.642 . 0 0 "[ . 1 . 2]" 1 123 1 31 TYR HB3 1 41 ILE MD 3.700 . 5.400 3.332 2.759 4.130 . 0 0 "[ . 1 . 2]" 1 124 1 41 ILE HB 1 41 ILE MD 2.600 . 3.400 2.461 2.420 2.510 . 0 0 "[ . 1 . 2]" 1 125 1 41 ILE MD 1 43 LEU HB3 5.100 . 6.000 5.492 4.878 6.045 0.045 6 0 "[ . 1 . 2]" 1 126 1 41 ILE MD 1 61 ILE QG 4.500 . 6.000 4.665 4.278 4.990 . 0 0 "[ . 1 . 2]" 1 127 1 40 LYS QG 1 41 ILE MD 4.600 . 6.000 5.284 4.696 5.777 . 0 0 "[ . 1 . 2]" 1 128 1 33 ILE MD 1 41 ILE MD 1.900 . 2.400 1.877 1.822 1.948 . 0 0 "[ . 1 . 2]" 1 129 1 35 ASP HA 1 41 ILE MD 2.900 . 4.000 2.163 1.795 3.029 0.005 14 0 "[ . 1 . 2]" 1 130 1 40 LYS HA 1 41 ILE MD 5.200 . 6.000 5.012 4.736 5.390 . 0 0 "[ . 1 . 2]" 1 131 1 32 THR HA 1 41 ILE MD 4.100 . 6.000 5.596 4.978 5.964 . 0 0 "[ . 1 . 2]" 1 132 1 41 ILE MD 1 122 PHE QD 3.300 . 4.600 3.233 2.928 3.632 . 0 0 "[ . 1 . 2]" 1 133 1 31 TYR QD 1 41 ILE MD 3.700 . 5.400 5.142 4.510 5.478 0.078 8 0 "[ . 1 . 2]" 1 134 1 35 ASP H 1 41 ILE MD 5.500 2.300 6.000 4.044 3.707 4.352 . 0 0 "[ . 1 . 2]" 1 135 1 33 ILE MD 1 41 ILE H 4.700 . 6.000 4.529 4.341 4.755 . 0 0 "[ . 1 . 2]" 1 136 1 33 ILE MD 1 121 VAL H 3.200 . 4.500 3.553 2.845 4.168 . 0 0 "[ . 1 . 2]" 1 137 1 33 ILE MD 1 122 PHE QD 2.900 . 3.900 2.608 1.897 3.613 0.003 6 0 "[ . 1 . 2]" 1 138 1 33 ILE HA 1 33 ILE MD 4.500 . 6.000 3.967 3.798 4.050 . 0 0 "[ . 1 . 2]" 1 139 1 32 THR HA 1 33 ILE MD 5.200 . 6.000 4.461 4.263 4.640 . 0 0 "[ . 1 . 2]" 1 140 1 32 THR HA 1 61 ILE MD 2.900 . 6.000 5.301 5.026 5.519 . 0 0 "[ . 1 . 2]" 1 141 1 33 ILE MD 1 33 ILE QG 2.200 . 2.800 1.826 1.677 1.878 . 0 0 "[ . 1 . 2]" 1 142 1 33 ILE MG 1 38 ASN HB2 3.900 . 5.800 5.613 4.292 6.493 0.693 6 2 "[ .+ 1 . -2]" 1 143 1 57 ALA MB 1 70 ALA MB 3.500 . 5.000 3.495 2.444 4.031 . 0 0 "[ . 1 . 2]" 1 144 1 61 ILE MD 1 70 ALA MB 3.300 . 4.800 3.109 2.594 3.701 . 0 0 "[ . 1 . 2]" 1 145 1 43 LEU HB2 1 70 ALA MB 3.300 . 4.300 2.659 2.023 4.266 . 0 0 "[ . 1 . 2]" 1 146 1 33 ILE MG 1 42 GLU HG3 3.900 . 5.800 5.274 3.141 5.699 . 0 0 "[ . 1 . 2]" 1 147 1 33 ILE QG 1 33 ILE MG 2.700 . 3.600 1.965 1.496 2.392 0.304 10 0 "[ . 1 . 2]" 1 148 1 41 ILE HB 1 41 ILE MG 2.100 . 2.700 2.132 2.121 2.140 . 0 0 "[ . 1 . 2]" 1 149 1 33 ILE MG 1 43 LEU HB3 3.200 . 4.500 4.240 2.295 4.620 0.120 10 0 "[ . 1 . 2]" 1 150 1 49 ALA MB 1 51 SER HB3 4.500 . 6.000 4.960 3.709 6.070 0.070 1 0 "[ . 1 . 2]" 1 151 1 70 ALA MB 1 89 GLU HA 3.600 . 5.000 3.858 2.714 4.672 . 0 0 "[ . 1 . 2]" 1 152 1 32 THR HA 1 33 ILE MG 4.200 . 6.000 3.988 3.593 4.311 . 0 0 "[ . 1 . 2]" 1 153 1 41 ILE MG 1 122 PHE QD 3.800 . 5.600 4.029 3.397 4.555 . 0 0 "[ . 1 . 2]" 1 154 1 31 TYR QD 1 33 ILE MG 4.000 . 6.000 3.825 2.293 5.588 . 0 0 "[ . 1 . 2]" 1 155 1 42 GLU H 1 49 ALA MB 4.100 . 6.000 5.912 5.443 6.085 0.085 10 0 "[ . 1 . 2]" 1 156 1 44 ASN H 1 49 ALA MB 3.300 . 4.700 2.463 2.089 2.922 . 0 0 "[ . 1 . 2]" 1 157 1 49 ALA MB 1 60 CYS H 4.200 . 6.000 4.336 3.854 4.710 . 0 0 "[ . 1 . 2]" 1 158 1 33 ILE H 1 41 ILE MG 3.400 . 4.900 3.528 3.058 3.917 . 0 0 "[ . 1 . 2]" 1 159 1 22 LEU MD1 1 45 VAL MG2 3.000 . 4.100 2.369 1.730 3.768 0.170 11 0 "[ . 1 . 2]" 1 160 1 68 LEU MD1 1 91 GLY HA3 4.500 . 6.000 4.989 4.082 5.681 . 0 0 "[ . 1 . 2]" 1 161 1 60 CYS HB3 1 68 LEU MD1 4.900 . 6.000 4.625 4.079 5.578 . 0 0 "[ . 1 . 2]" 1 162 1 66 LYS QE 1 68 LEU MD1 3.000 . 6.000 4.675 2.601 6.355 0.355 14 0 "[ . 1 . 2]" 1 163 1 88 TYR H 1 89 GLU HG3 3.300 . 5.300 3.882 3.272 4.528 . 0 0 "[ . 1 . 2]" 1 164 1 28 GLU QG 1 29 SER H 3.700 . 5.400 3.004 2.065 3.998 . 0 0 "[ . 1 . 2]" 1 165 1 144 GLU QG 1 145 GLU H 3.500 . 5.000 2.901 1.954 3.862 0.046 5 0 "[ . 1 . 2]" 1 166 1 144 GLU H 1 144 GLU QG 3.100 . 4.300 2.943 2.153 3.913 . 0 0 "[ . 1 . 2]" 1 167 1 4 ASN HD21 1 26 LYS QD 3.400 . 4.900 3.528 2.709 3.882 . 0 0 "[ . 1 . 2]" 1 168 1 4 ASN HA 1 26 LYS QD 3.400 . 4.900 4.852 4.372 5.060 0.160 8 0 "[ . 1 . 2]" 1 169 1 111 LYS HA 1 111 LYS QD 3.600 . 5.200 3.694 2.169 4.145 . 0 0 "[ . 1 . 2]" 1 170 1 77 LEU QD 1 78 THR H 3.500 . 5.000 2.535 1.684 3.898 0.316 6 0 "[ . 1 . 2]" 1 171 1 77 LEU QD 1 108 PHE QD 4.100 . 6.000 3.242 2.380 3.925 . 0 0 "[ . 1 . 2]" 1 172 1 77 LEU MD1 1 108 PHE QE 3.600 . 5.200 2.963 2.045 4.077 . 0 0 "[ . 1 . 2]" 1 173 1 10 ARG HA 1 77 LEU QD 3.300 . 4.300 2.355 1.934 3.742 . 0 0 "[ . 1 . 2]" 1 174 1 21 ASP HA 1 77 LEU MD1 2.600 . 3.500 2.002 1.851 2.605 . 0 0 "[ . 1 . 2]" 1 175 1 74 SER HA 1 86 LEU MD1 3.400 . 4.900 4.180 3.025 4.740 . 0 0 "[ . 1 . 2]" 1 176 1 22 LEU HA 1 77 LEU MD1 4.600 . 6.000 4.537 4.008 5.164 . 0 0 "[ . 1 . 2]" 1 177 1 9 CYS HA 1 77 LEU QD 3.300 . 4.400 3.109 2.058 3.803 . 0 0 "[ . 1 . 2]" 1 178 1 77 LEU QD 1 86 LEU HB3 2.900 . 4.000 2.623 2.296 3.167 . 0 0 "[ . 1 . 2]" 1 179 1 41 ILE HG12 1 68 LEU MD2 3.800 . 5.600 4.737 4.307 5.096 . 0 0 "[ . 1 . 2]" 1 180 1 77 LEU HB2 1 77 LEU MD1 1.900 . 2.400 1.715 1.694 1.814 . 0 0 "[ . 1 . 2]" 1 181 1 26 LYS QG 1 27 ARG H 3.100 . 4.300 2.546 1.892 3.668 0.008 11 0 "[ . 1 . 2]" 1 182 1 97 ASP HA 1 99 LYS QG 3.700 . 6.000 5.219 3.167 6.171 0.171 4 0 "[ . 1 . 2]" 1 183 1 26 LYS HD2 1 26 LYS QG 1.700 . 2.200 1.765 1.722 1.806 . 0 0 "[ . 1 . 2]" 1 184 1 111 LYS H 1 140 LEU QD 2.100 . 6.000 5.412 5.010 5.800 . 0 0 "[ . 1 . 2]" 1 185 1 118 SER HA 1 140 LEU QD 2.500 . 6.000 3.869 3.293 4.098 . 0 0 "[ . 1 . 2]" 1 186 1 4 ASN HB3 1 140 LEU QD 2.000 . 6.000 5.026 4.520 5.496 . 0 0 "[ . 1 . 2]" 1 187 1 1 MET ME 1 140 LEU QD 2.200 . 6.000 3.505 1.992 5.184 . 0 0 "[ . 1 . 2]" 1 188 1 48 GLU HB2 1 73 LEU QD 4.500 . 6.000 4.123 2.858 4.955 . 0 0 "[ . 1 . 2]" 1 189 1 13 ASN H 1 19 LEU QD 4.300 . 6.000 4.300 3.670 5.056 . 0 0 "[ . 1 . 2]" 1 190 1 11 VAL H 1 19 LEU QD 4.000 . 4.500 2.985 2.613 3.323 . 0 0 "[ . 1 . 2]" 1 191 1 10 ARG HD2 1 19 LEU QD 2.800 . 3.600 2.693 1.986 3.864 0.264 12 0 "[ . 1 . 2]" 1 192 1 2 LYS HB3 1 19 LEU QD 3.300 . 6.000 3.412 2.451 4.016 . 0 0 "[ . 1 . 2]" 1 193 1 3 SER HA 1 23 THR MG 3.300 . 4.400 2.764 1.786 4.189 0.014 10 0 "[ . 1 . 2]" 1 194 1 11 VAL MG2 1 79 TYR QB 3.900 . 5.800 3.689 3.024 4.343 . 0 0 "[ . 1 . 2]" 1 195 1 6 GLN QG 1 23 THR MG 3.300 . 4.300 3.166 1.971 3.925 . 0 0 "[ . 1 . 2]" 1 196 1 5 VAL HB 1 23 THR MG 3.300 . 4.800 2.898 1.900 3.496 . 0 0 "[ . 1 . 2]" 1 197 1 6 GLN HB3 1 23 THR MG 4.000 . 6.000 3.732 2.824 4.835 . 0 0 "[ . 1 . 2]" 1 198 1 83 VAL MG1 1 85 LYS H 3.300 . 4.400 2.368 2.005 2.637 . 0 0 "[ . 1 . 2]" 1 199 1 121 VAL H 1 121 VAL QG 2.600 . 3.500 2.275 2.112 2.436 . 0 0 "[ . 1 . 2]" 1 200 1 121 VAL MG1 1 122 PHE QD 4.700 . 6.000 4.109 3.838 4.528 . 0 0 "[ . 1 . 2]" 1 201 1 109 VAL HA 1 109 VAL QG 2.200 . 2.800 2.018 1.921 2.041 . 0 0 "[ . 1 . 2]" 1 202 1 11 VAL H 1 11 VAL MG1 2.800 . 3.800 2.459 2.291 2.618 . 0 0 "[ . 1 . 2]" 1 203 1 11 VAL MG1 1 20 PHE QE 3.300 . 4.900 2.460 1.976 3.322 . 0 0 "[ . 1 . 2]" 1 204 1 11 VAL HA 1 11 VAL MG1 3.300 . 4.700 3.243 3.228 3.258 . 0 0 "[ . 1 . 2]" 1 205 1 11 VAL MG1 1 20 PHE HB3 3.000 . 4.000 2.920 2.551 3.305 . 0 0 "[ . 1 . 2]" 1 206 1 11 VAL MG1 1 20 PHE HB2 3.300 2.300 4.100 2.274 2.160 2.579 0.140 7 0 "[ . 1 . 2]" 1 207 1 33 ILE HA 1 34 THR MG 3.700 . 5.400 3.992 3.835 4.115 . 0 0 "[ . 1 . 2]" 1 208 1 34 THR MG 1 37 HIS HB2 4.500 . 6.000 5.178 3.968 6.265 0.265 10 0 "[ . 1 . 2]" 1 209 1 33 ILE HB 1 34 THR MG 4.400 . 6.000 3.712 3.328 3.966 . 0 0 "[ . 1 . 2]" 1 210 1 108 PHE HA 1 109 VAL QG 3.000 . 4.100 2.285 2.030 2.536 . 0 0 "[ . 1 . 2]" 1 211 1 107 SER HB3 1 109 VAL QG 2.600 . 6.000 3.542 2.331 4.242 . 0 0 "[ . 1 . 2]" 1 212 1 107 SER HB2 1 109 VAL QG 2.300 . 6.000 3.317 2.380 3.918 . 0 0 "[ . 1 . 2]" 1 213 1 83 VAL HB 1 109 VAL QG 4.500 . 6.000 4.940 4.102 5.457 . 0 0 "[ . 1 . 2]" 1 214 1 70 ALA MB 1 127 GLU HG2 4.000 . 6.000 5.534 3.555 6.182 0.182 9 0 "[ . 1 . 2]" 1 215 1 145 GLU H 1 145 GLU QB 2.800 . 3.800 2.685 2.236 3.321 . 0 0 "[ . 1 . 2]" 1 216 1 144 GLU H 1 144 GLU HB3 3.100 . 4.300 2.939 2.386 3.577 . 0 0 "[ . 1 . 2]" 1 217 1 144 GLU HA 1 144 GLU HB3 2.800 2.200 3.400 2.264 2.038 2.422 0.162 11 0 "[ . 1 . 2]" 1 218 1 144 GLU HB3 1 144 GLU QG 2.200 . 2.800 1.907 1.876 1.962 . 0 0 "[ . 1 . 2]" 1 219 1 40 LYS QB 1 40 LYS QG 2.000 . 2.500 1.835 1.782 1.862 . 0 0 "[ . 1 . 2]" 1 220 1 25 LEU H 1 45 VAL MG1 3.200 . 6.000 4.860 3.703 6.032 0.032 18 0 "[ . 1 . 2]" 1 221 1 26 LYS H 1 45 VAL MG1 4.500 . 6.000 4.156 2.686 5.397 . 0 0 "[ . 1 . 2]" 1 222 1 31 TYR QD 1 45 VAL MG1 4.300 . 6.000 4.079 3.428 4.582 . 0 0 "[ . 1 . 2]" 1 223 1 45 VAL MG1 1 106 PHE QD 4.100 . 6.000 4.160 3.522 5.360 . 0 0 "[ . 1 . 2]" 1 224 1 6 GLN HA 1 45 VAL MG1 3.400 . 4.800 3.713 2.039 4.774 . 0 0 "[ . 1 . 2]" 1 225 1 44 ASN HB3 1 45 VAL MG1 3.900 . 5.800 3.774 2.736 4.734 . 0 0 "[ . 1 . 2]" 1 226 1 22 LEU QB 1 45 VAL MG1 2.700 . 3.600 2.650 1.887 3.610 0.010 18 0 "[ . 1 . 2]" 1 227 1 22 LEU HG 1 45 VAL MG1 2.600 . 6.000 4.531 3.942 5.476 . 0 0 "[ . 1 . 2]" 1 228 1 25 LEU MD1 1 45 VAL MG1 2.800 . 3.800 1.975 1.559 2.073 0.241 10 0 "[ . 1 . 2]" 1 229 1 22 LEU MD1 1 45 VAL MG1 2.900 . 4.000 2.167 1.786 3.263 0.014 19 0 "[ . 1 . 2]" 1 230 1 69 ASN H 1 70 ALA MB 4.000 . 6.000 2.994 2.336 3.482 . 0 0 "[ . 1 . 2]" 1 231 1 111 LYS HA 1 112 SER HA 3.800 . 5.600 3.801 2.407 4.309 . 0 0 "[ . 1 . 2]" 1 232 1 3 SER QB 1 24 SER HA 2.300 . 3.000 1.979 1.562 2.925 0.038 17 0 "[ . 1 . 2]" 1 233 1 109 VAL HA 1 110 CYS HB3 4.900 . 6.000 4.371 4.008 4.868 . 0 0 "[ . 1 . 2]" 1 234 1 146 VAL HA 1 146 VAL HB 2.600 . 3.500 2.803 2.374 3.000 . 0 0 "[ . 1 . 2]" 1 235 1 84 LEU HB3 1 109 VAL HA 5.200 . 6.000 4.399 4.021 4.667 . 0 0 "[ . 1 . 2]" 1 236 1 27 ARG H 1 28 GLU HA 3.100 . 4.300 3.424 3.183 3.521 . 0 0 "[ . 1 . 2]" 1 237 1 27 ARG H 1 29 SER HA 2.800 . 3.700 2.683 2.226 2.793 . 0 0 "[ . 1 . 2]" 1 238 1 53 CYS HB2 1 54 ALA HA 4.200 . 6.000 4.552 3.977 5.971 . 0 0 "[ . 1 . 2]" 1 239 1 146 VAL HA 1 147 PRO HD3 2.000 . 2.500 2.012 1.702 2.193 . 0 0 "[ . 1 . 2]" 1 240 1 146 VAL HB 1 147 PRO HD3 2.300 . 3.000 2.174 2.128 2.202 . 0 0 "[ . 1 . 2]" 1 241 1 73 LEU HB3 1 74 SER H 4.600 . 6.000 3.938 3.527 4.188 . 0 0 "[ . 1 . 2]" 1 242 1 19 LEU HB3 1 21 ASP HB3 4.200 . 6.000 3.747 2.419 4.917 . 0 0 "[ . 1 . 2]" 1 243 1 48 GLU HB2 1 73 LEU HB3 4.200 . 6.000 4.029 3.568 4.532 . 0 0 "[ . 1 . 2]" 1 244 1 73 LEU HB3 1 73 LEU QD 2.900 . 3.900 1.902 1.806 1.936 0.094 10 0 "[ . 1 . 2]" 1 245 1 73 LEU HB2 1 74 SER H 4.300 . 6.000 3.700 3.026 4.138 . 0 0 "[ . 1 . 2]" 1 246 1 19 LEU HB2 1 21 ASP HB3 4.300 . 6.000 3.938 2.999 4.852 . 0 0 "[ . 1 . 2]" 1 247 1 19 LEU HB2 1 77 LEU HB2 3.400 . 6.000 5.274 5.011 5.594 . 0 0 "[ . 1 . 2]" 1 248 1 19 LEU HB2 1 19 LEU QD 2.500 . 3.300 1.838 1.760 1.949 . 0 0 "[ . 1 . 2]" 1 249 1 4 ASN HB3 1 25 LEU HB3 3.300 . 6.000 6.012 5.316 6.496 0.496 7 0 "[ . 1 . 2]" 1 250 1 77 LEU HB2 1 84 LEU MD1 1.900 . 2.400 1.808 1.683 1.973 . 0 0 "[ . 1 . 2]" 1 251 1 77 LEU HB3 1 84 LEU MD1 3.200 . 4.500 3.106 1.664 3.844 0.236 17 0 "[ . 1 . 2]" 1 252 1 79 TYR HA 1 84 LEU MD1 3.100 . 4.300 3.028 2.369 3.526 . 0 0 "[ . 1 . 2]" 1 253 1 11 VAL HA 1 19 LEU QD 3.700 . 5.500 3.044 1.877 3.624 0.023 15 0 "[ . 1 . 2]" 1 254 1 20 PHE H 1 84 LEU MD1 3.200 . 6.000 4.741 4.432 5.160 . 0 0 "[ . 1 . 2]" 1 255 1 11 VAL H 1 84 LEU MD1 3.800 . 6.000 3.685 3.364 3.883 . 0 0 "[ . 1 . 2]" 1 256 1 97 ASP QB 1 98 LEU QD 3.600 . 5.200 4.285 3.954 4.623 . 0 0 "[ . 1 . 2]" 1 257 1 95 PRO HB3 1 98 LEU QD 3.800 . 6.000 3.902 3.147 4.476 . 0 0 "[ . 1 . 2]" 1 258 1 94 CYS HB2 1 98 LEU QD 3.300 . 5.500 4.669 4.345 5.146 . 0 0 "[ . 1 . 2]" 1 259 1 22 LEU MD1 1 25 LEU HB3 3.700 . 5.400 3.598 3.162 4.332 . 0 0 "[ . 1 . 2]" 1 260 1 22 LEU MD1 1 26 LYS QG 3.500 . 5.000 4.311 3.579 4.908 . 0 0 "[ . 1 . 2]" 1 261 1 11 VAL MG1 1 22 LEU MD1 3.300 . 4.700 3.749 2.247 4.678 . 0 0 "[ . 1 . 2]" 1 262 1 107 SER HB3 1 123 LEU QD 2.700 . 3.600 2.765 1.900 3.335 . 0 0 "[ . 1 . 2]" 1 263 1 123 LEU HA 1 123 LEU QD 2.300 . 3.000 2.563 1.858 2.870 . 0 0 "[ . 1 . 2]" 1 264 1 22 LEU MD1 1 76 THR HA 3.800 . 5.600 4.363 3.811 5.007 . 0 0 "[ . 1 . 2]" 1 265 1 22 LEU HA 1 22 LEU MD1 3.000 . 4.100 3.806 3.727 3.865 . 0 0 "[ . 1 . 2]" 1 266 1 22 LEU MD1 1 24 SER HA 4.000 . 6.000 4.815 4.007 5.306 . 0 0 "[ . 1 . 2]" 1 267 1 21 ASP HA 1 22 LEU MD1 4.900 . 6.000 4.442 4.210 4.579 . 0 0 "[ . 1 . 2]" 1 268 1 47 ALA MB 1 59 VAL MG2 4.800 . 6.000 5.562 4.473 6.906 0.906 14 1 "[ . 1 +. 2]" 1 269 1 59 VAL MG2 1 88 TYR QD 2.500 . 3.300 2.446 2.130 2.773 . 0 0 "[ . 1 . 2]" 1 270 1 59 VAL H 1 59 VAL MG2 2.900 . 3.900 2.666 2.380 3.970 0.070 14 0 "[ . 1 . 2]" 1 271 1 59 VAL MG2 1 106 PHE QD 3.600 . 5.200 3.877 2.909 4.789 . 0 0 "[ . 1 . 2]" 1 272 1 59 VAL MG2 1 60 CYS H 4.400 . 6.000 4.051 3.000 4.236 . 0 0 "[ . 1 . 2]" 1 273 1 60 CYS H 1 67 THR MG 4.400 . 6.000 4.005 3.024 5.265 . 0 0 "[ . 1 . 2]" 1 274 1 59 VAL MG1 1 60 CYS H 3.100 . 4.300 2.919 2.752 4.008 . 0 0 "[ . 1 . 2]" 1 275 1 43 LEU H 1 59 VAL MG1 4.900 . 6.000 5.038 4.434 5.590 . 0 0 "[ . 1 . 2]" 1 276 1 4 ASN H 1 23 THR MG 4.300 . 6.000 3.503 2.670 3.859 . 0 0 "[ . 1 . 2]" 1 277 1 123 LEU QD 1 134 PHE H 3.100 . 4.300 2.746 2.435 3.765 . 0 0 "[ . 1 . 2]" 1 278 1 43 LEU HA 1 59 VAL MG2 4.500 . 6.000 3.612 2.749 4.345 . 0 0 "[ . 1 . 2]" 1 279 1 11 VAL MG2 1 20 PHE HB3 3.200 . 4.500 3.972 3.332 4.387 . 0 0 "[ . 1 . 2]" 1 280 1 43 LEU HB2 1 59 VAL MG2 2.200 . 2.800 2.036 1.767 2.121 . 0 0 "[ . 1 . 2]" 1 281 1 83 VAL QG 1 84 LEU H 2.500 . 3.300 1.899 1.762 2.084 . 0 0 "[ . 1 . 2]" 1 282 1 12 THR H 1 12 THR MG 3.400 . 4.800 2.209 1.849 3.322 0.151 6 0 "[ . 1 . 2]" 1 283 1 12 THR MG 1 18 HIS H 4.100 . 6.000 3.559 2.926 4.151 . 0 0 "[ . 1 . 2]" 1 284 1 12 THR MG 1 20 PHE H 3.800 . 5.600 3.081 2.660 4.075 . 0 0 "[ . 1 . 2]" 1 285 1 109 VAL QG 1 110 CYS H 2.800 . 3.700 2.525 2.034 3.287 . 0 0 "[ . 1 . 2]" 1 286 1 83 VAL QG 1 108 PHE QD 3.900 . 5.800 4.340 4.024 4.524 . 0 0 "[ . 1 . 2]" 1 287 1 12 THR HA 1 12 THR MG 2.400 . 3.100 2.039 1.891 2.148 . 0 0 "[ . 1 . 2]" 1 288 1 83 VAL QG 1 107 SER HA 3.400 . 4.800 3.185 2.815 3.739 . 0 0 "[ . 1 . 2]" 1 289 1 59 VAL MG1 1 90 ASP HA 2.800 . 6.000 2.569 1.859 2.880 . 0 0 "[ . 1 . 2]" 1 290 1 26 LYS QD 1 47 ALA MB 2.500 . 3.300 2.888 1.886 3.388 0.088 9 0 "[ . 1 . 2]" 1 291 1 26 LYS HD3 1 47 ALA MB 4.700 . 6.000 3.190 1.891 4.017 0.109 10 0 "[ . 1 . 2]" 1 292 1 26 LYS QG 1 47 ALA MB 2.900 . 6.000 3.514 2.943 4.081 . 0 0 "[ . 1 . 2]" 1 293 1 47 ALA H 1 59 VAL MG1 3.600 . 5.200 4.397 3.379 5.605 0.405 14 0 "[ . 1 . 2]" 1 294 1 59 VAL MG1 1 88 TYR QD 3.300 . 4.700 2.757 1.873 3.874 0.027 17 0 "[ . 1 . 2]" 1 295 1 4 ASN HD21 1 5 VAL QG 4.500 . 6.000 5.116 4.041 5.607 . 0 0 "[ . 1 . 2]" 1 296 1 15 ALA H 1 16 THR MG 3.700 . 5.400 3.402 2.838 4.205 . 0 0 "[ . 1 . 2]" 1 297 1 87 VAL MG1 1 105 TYR QE 3.400 . 4.800 2.968 2.597 3.748 . 0 0 "[ . 1 . 2]" 1 298 1 121 VAL MG1 1 135 SER HB3 3.200 . 4.500 2.643 2.168 3.130 . 0 0 "[ . 1 . 2]" 1 299 1 81 ASP HB2 1 83 VAL MG1 3.800 . 4.800 3.473 1.987 4.463 0.013 17 0 "[ . 1 . 2]" 1 300 1 12 THR MG 1 14 PRO HB3 3.800 . 5.100 3.447 2.845 4.080 . 0 0 "[ . 1 . 2]" 1 301 1 87 VAL MG2 1 89 GLU HA 4.300 . 6.000 4.538 4.130 4.853 . 0 0 "[ . 1 . 2]" 1 302 1 15 ALA H 1 15 ALA MB 2.200 . 2.800 2.091 1.995 2.197 . 0 0 "[ . 1 . 2]" 1 303 1 57 ALA MB 1 60 CYS H 4.300 . 6.000 4.722 4.154 5.156 . 0 0 "[ . 1 . 2]" 1 304 1 58 ALA MB 1 59 VAL H 3.100 . 4.300 2.455 2.174 2.825 . 0 0 "[ . 1 . 2]" 1 305 1 49 ALA H 1 58 ALA MB 4.000 . 6.000 3.775 3.194 4.300 . 0 0 "[ . 1 . 2]" 1 306 1 108 PHE HA 1 138 THR MG 3.600 . 5.200 3.146 2.885 3.415 . 0 0 "[ . 1 . 2]" 1 307 1 57 ALA HA 1 58 ALA MB 4.400 . 6.000 3.820 3.697 3.912 . 0 0 "[ . 1 . 2]" 1 308 1 45 VAL HA 1 58 ALA MB 3.700 . 5.400 3.146 2.675 3.537 . 0 0 "[ . 1 . 2]" 1 309 1 53 CYS HB3 1 57 ALA MB 2.800 . 3.700 2.107 1.730 3.198 0.070 18 0 "[ . 1 . 2]" 1 310 1 41 ILE MG 1 43 LEU HB3 4.500 . 6.000 3.489 2.433 4.941 . 0 0 "[ . 1 . 2]" 1 311 1 32 THR HA 1 41 ILE MG 3.600 . 5.200 3.663 2.978 4.066 . 0 0 "[ . 1 . 2]" 1 312 1 31 TYR QD 1 41 ILE MG 3.300 . 6.000 4.876 3.238 5.689 . 0 0 "[ . 1 . 2]" 1 313 1 41 ILE MG 1 60 CYS H 4.200 . 6.000 3.899 3.253 4.366 . 0 0 "[ . 1 . 2]" 1 314 1 35 ASP HA 1 41 ILE MG 3.600 . 5.200 3.488 3.055 3.831 . 0 0 "[ . 1 . 2]" 1 315 1 97 ASP HA 1 100 MET ME 3.300 . 4.800 3.230 1.982 4.222 . 0 0 "[ . 1 . 2]" 1 316 1 22 LEU HB3 1 84 LEU MD1 2.100 . 2.600 2.348 2.284 2.398 . 0 0 "[ . 1 . 2]" 1 317 1 26 LYS H 1 26 LYS QG 3.000 . 4.100 2.099 1.801 2.375 0.099 17 0 "[ . 1 . 2]" 1 318 1 25 LEU HB3 1 25 LEU MD2 2.900 . 4.000 2.482 2.266 3.196 . 0 0 "[ . 1 . 2]" 1 319 1 22 LEU QB 1 25 LEU MD2 2.900 . 3.900 2.304 1.881 3.140 0.019 5 0 "[ . 1 . 2]" 1 320 1 25 LEU MD1 1 25 LEU MD2 2.400 . 3.100 2.026 1.743 2.084 . 0 0 "[ . 1 . 2]" 1 321 1 22 LEU HG 1 25 LEU MD2 4.200 . 6.000 4.732 3.779 6.256 0.256 3 0 "[ . 1 . 2]" 1 322 1 22 LEU HA 1 25 LEU MD2 3.100 . 4.300 3.060 1.790 3.653 0.110 8 0 "[ . 1 . 2]" 1 323 1 25 LEU MD2 1 106 PHE QD 4.300 . 6.000 3.455 2.513 5.560 . 0 0 "[ . 1 . 2]" 1 324 1 31 TYR HB3 1 43 LEU QD 2.900 . 4.000 2.174 1.764 2.924 0.036 16 0 "[ . 1 . 2]" 1 325 1 43 LEU QD 1 71 GLY HA3 3.200 . 4.500 2.289 1.875 3.353 0.025 6 0 "[ . 1 . 2]" 1 326 1 123 LEU QD 1 124 SER QB 3.200 . 4.500 2.747 1.900 3.305 . 0 0 "[ . 1 . 2]" 1 327 1 20 PHE HB3 1 84 LEU MD2 2.800 . 3.800 2.124 1.910 2.441 . 0 0 "[ . 1 . 2]" 1 328 1 68 LEU MD2 1 70 ALA HA 2.700 . 3.600 2.321 1.869 3.111 . 0 0 "[ . 1 . 2]" 1 329 1 19 LEU HA 1 19 LEU QD 3.600 . 5.200 2.155 1.769 2.571 0.231 19 0 "[ . 1 . 2]" 1 330 1 31 TYR QD 1 43 LEU QD 3.100 . 4.300 2.593 1.868 3.723 0.032 13 0 "[ . 1 . 2]" 1 331 1 43 LEU QD 1 106 PHE QD 3.900 . 5.800 3.103 1.874 3.797 0.126 13 0 "[ . 1 . 2]" 1 332 1 43 LEU QD 1 106 PHE QD 3.600 . 5.200 3.114 1.874 3.827 0.126 13 0 "[ . 1 . 2]" 1 333 1 43 LEU QD 1 59 VAL H 4.500 . 6.000 3.471 2.737 3.953 . 0 0 "[ . 1 . 2]" 1 334 1 43 LEU H 1 43 LEU QD 3.500 . 5.000 2.398 1.992 3.464 0.008 11 0 "[ . 1 . 2]" 1 335 1 31 TYR H 1 43 LEU QD 4.400 . 6.000 3.368 2.743 4.250 . 0 0 "[ . 1 . 2]" 1 336 1 41 ILE H 1 43 LEU QD 3.900 . 5.800 2.717 2.427 3.624 . 0 0 "[ . 1 . 2]" 1 337 1 43 LEU QD 1 44 ASN H 4.400 . 6.000 3.640 2.873 4.141 . 0 0 "[ . 1 . 2]" 1 338 1 77 LEU HB3 1 84 LEU MD2 3.000 . 4.100 2.833 2.192 3.285 . 0 0 "[ . 1 . 2]" 1 339 1 43 LEU QD 1 60 CYS HB2 3.800 . 5.600 2.934 2.232 3.639 . 0 0 "[ . 1 . 2]" 1 340 1 33 ILE HG12 1 43 LEU QD 3.300 . 6.000 2.659 2.218 3.942 . 0 0 "[ . 1 . 2]" 1 341 1 14 PRO HA 1 14 PRO HG2 3.400 . 4.800 3.368 3.334 3.397 . 0 0 "[ . 1 . 2]" 1 342 1 43 LEU QD 1 88 TYR QD 3.700 . 5.400 2.888 2.185 4.232 . 0 0 "[ . 1 . 2]" 1 343 1 43 LEU QD 1 88 TYR QE 3.600 . 5.200 3.154 2.693 3.647 . 0 0 "[ . 1 . 2]" 1 344 1 32 THR MG 1 120 PRO HG2 2.400 . 6.000 6.037 5.315 6.276 0.276 3 0 "[ . 1 . 2]" 1 345 1 26 LYS HA 1 26 LYS QD 3.600 . 5.200 3.527 1.984 4.013 0.016 15 0 "[ . 1 . 2]" 1 346 1 28 GLU QB 1 29 SER H 2.600 . 3.500 2.311 2.124 2.566 . 0 0 "[ . 1 . 2]" 1 347 1 26 LYS QD 1 27 ARG H 3.900 . 5.800 3.752 2.494 4.211 . 0 0 "[ . 1 . 2]" 1 348 1 37 HIS H 1 37 HIS HB3 3.200 . 4.500 2.678 1.861 3.722 0.039 16 0 "[ . 1 . 2]" 1 349 1 37 HIS H 1 37 HIS HB2 3.400 . 4.900 3.055 2.069 3.834 . 0 0 "[ . 1 . 2]" 1 350 1 144 GLU HB2 1 145 GLU H 3.500 . 4.700 2.583 2.230 3.076 . 0 0 "[ . 1 . 2]" 1 351 1 47 ALA HA 1 48 GLU HB2 2.400 . 3.100 2.216 2.068 2.397 . 0 0 "[ . 1 . 2]" 1 352 1 4 ASN HD21 1 26 LYS HB2 3.300 . 4.600 3.137 2.159 3.566 . 0 0 "[ . 1 . 2]" 1 353 1 26 LYS HA 1 26 LYS HB2 2.400 . 3.100 2.158 2.017 2.326 . 0 0 "[ . 1 . 2]" 1 354 1 14 PRO HA 1 14 PRO HB3 2.100 . 2.600 2.032 1.985 2.053 . 0 0 "[ . 1 . 2]" 1 355 1 26 LYS HB2 1 27 ARG H 2.600 . 3.500 2.339 2.035 2.774 . 0 0 "[ . 1 . 2]" 1 356 1 6 GLN HE22 1 6 GLN QG 3.100 . 4.300 2.349 2.166 2.673 . 0 0 "[ . 1 . 2]" 1 357 1 4 ASN HD21 1 6 GLN QG 3.300 . 4.700 3.809 3.168 4.542 . 0 0 "[ . 1 . 2]" 1 358 1 4 ASN HB2 1 27 ARG HB3 2.900 . 3.900 3.009 2.014 3.804 . 0 0 "[ . 1 . 2]" 1 359 1 27 ARG H 1 27 ARG HB2 3.400 . 4.800 3.007 1.925 3.557 0.075 20 0 "[ . 1 . 2]" 1 360 1 57 ALA H 1 72 LYS QB 2.600 . 3.500 2.610 2.459 2.833 . 0 0 "[ . 1 . 2]" 1 361 1 127 GLU HA 1 127 GLU HG2 3.300 . 4.700 3.265 2.411 3.561 . 0 0 "[ . 1 . 2]" 1 362 1 108 PHE HA 1 109 VAL HB 3.800 . 5.600 4.285 3.952 4.464 . 0 0 "[ . 1 . 2]" 1 363 1 121 VAL H 1 121 VAL HB 2.900 . 3.900 2.523 2.454 2.671 . 0 0 "[ . 1 . 2]" 1 364 1 10 ARG HB3 1 11 VAL MG1 4.000 . 6.000 3.386 2.447 3.955 . 0 0 "[ . 1 . 2]" 1 365 1 10 ARG HB2 1 19 LEU QD 4.000 . 6.000 2.554 1.740 4.111 0.060 20 0 "[ . 1 . 2]" 1 366 1 55 ASN HB2 1 57 ALA MB 4.900 . 6.000 5.983 5.268 6.331 0.331 16 0 "[ . 1 . 2]" 1 367 1 55 ASN H 1 55 ASN HB3 3.200 . 4.400 2.454 1.981 3.138 0.019 18 0 "[ . 1 . 2]" 1 368 1 55 ASN H 1 55 ASN HB2 2.500 . 3.300 2.748 2.049 3.391 0.091 20 0 "[ . 1 . 2]" 1 369 1 38 ASN H 1 38 ASN HB2 2.800 . 3.800 2.330 2.120 2.562 . 0 0 "[ . 1 . 2]" 1 370 1 33 ILE MD 1 41 ILE HB 2.400 . 3.100 2.084 2.063 2.117 . 0 0 "[ . 1 . 2]" 1 371 1 41 ILE HB 1 41 ILE MD 3.000 . 4.100 2.395 2.210 2.501 . 0 0 "[ . 1 . 2]" 1 372 1 7 ASN H 1 7 ASN HB3 3.000 . 4.100 2.974 2.402 3.386 . 0 0 "[ . 1 . 2]" 1 373 1 72 LYS H 1 88 TYR HB2 3.400 . 4.800 2.791 2.639 3.022 . 0 0 "[ . 1 . 2]" 1 374 1 4 ASN HB2 1 4 ASN HD22 3.800 . 5.600 3.026 2.631 3.340 . 0 0 "[ . 1 . 2]" 1 375 1 7 ASN HA 1 7 ASN HB3 2.900 . 4.000 2.786 2.422 3.009 . 0 0 "[ . 1 . 2]" 1 376 1 72 LYS QE 1 90 ASP HB3 4.500 . 6.000 3.320 2.038 4.271 . 0 0 "[ . 1 . 2]" 1 377 1 22 LEU QB 1 77 LEU QD 3.300 . 4.700 2.692 1.875 3.231 0.025 4 0 "[ . 1 . 2]" 1 378 1 116 ASP H 1 116 ASP HB2 3.000 . 4.100 3.058 2.369 3.564 . 0 0 "[ . 1 . 2]" 1 379 1 11 VAL MG1 1 20 PHE HB2 3.000 . 4.200 2.229 2.015 2.555 . 0 0 "[ . 1 . 2]" 1 380 1 23 THR MG 1 26 LYS QE 2.900 . 4.000 2.465 1.797 3.577 0.003 4 0 "[ . 1 . 2]" 1 381 1 26 LYS H 1 26 LYS HE2 4.000 . 6.000 4.099 3.504 4.579 . 0 0 "[ . 1 . 2]" 1 382 1 25 LEU HB3 1 25 LEU MD1 3.400 . 4.800 2.606 1.924 3.150 0.076 15 0 "[ . 1 . 2]" 1 383 1 48 GLU HG3 1 75 LYS HE2 3.300 . 4.600 2.046 1.886 3.544 0.114 5 0 "[ . 1 . 2]" 1 384 1 19 LEU HA 1 19 LEU HB3 2.900 . 3.900 2.310 2.274 2.334 . 0 0 "[ . 1 . 2]" 1 385 1 126 ASP H 1 126 ASP QB 3.200 . 4.500 2.352 2.207 2.512 . 0 0 "[ . 1 . 2]" 1 386 1 35 ASP QB 1 134 PHE QE 3.900 . 5.800 3.358 3.027 3.638 . 0 0 "[ . 1 . 2]" 1 387 1 21 ASP HA 1 21 ASP HB3 3.300 . 4.600 2.745 2.407 3.034 . 0 0 "[ . 1 . 2]" 1 388 1 19 LEU H 1 19 LEU HB2 2.700 . 3.600 2.335 2.161 2.489 . 0 0 "[ . 1 . 2]" 1 389 1 21 ASP H 1 21 ASP HB3 3.600 . 5.200 3.032 2.424 3.637 . 0 0 "[ . 1 . 2]" 1 390 1 21 ASP HB3 1 22 LEU H 3.400 . 4.800 2.104 1.957 2.252 0.043 14 0 "[ . 1 . 2]" 1 391 1 10 ARG HD3 1 19 LEU QD 4.000 . 5.300 3.066 1.858 4.522 0.142 19 0 "[ . 1 . 2]" 1 392 1 10 ARG HD2 1 19 LEU QD 3.800 . 4.900 3.285 1.987 4.426 0.013 10 0 "[ . 1 . 2]" 1 393 1 26 LYS HA 1 30 GLY HA2 1.800 . 2.200 1.764 1.750 1.768 . 0 0 "[ . 1 . 2]" 1 394 1 115 GLY H 1 115 GLY HA3 2.300 . 2.900 2.173 1.970 2.748 . 0 0 "[ . 1 . 2]" 1 395 1 115 GLY H 1 115 GLY HA2 2.200 . 2.800 2.315 2.028 2.710 . 0 0 "[ . 1 . 2]" 1 396 1 30 GLY HA2 1 44 ASN HD21 4.700 . 6.000 3.500 2.431 4.323 . 0 0 "[ . 1 . 2]" 1 397 1 26 LYS HB2 1 30 GLY HA2 4.900 . 6.000 4.558 3.958 4.930 . 0 0 "[ . 1 . 2]" 1 398 1 45 VAL MG2 1 86 LEU HB3 2.800 . 3.800 2.389 2.257 3.016 . 0 0 "[ . 1 . 2]" 1 399 1 45 VAL MG2 1 86 LEU HB2 3.200 . 4.500 2.794 2.236 3.218 . 0 0 "[ . 1 . 2]" 1 400 1 45 VAL MG1 1 86 LEU HB3 3.400 . 4.900 2.681 2.292 3.218 . 0 0 "[ . 1 . 2]" 1 401 1 45 VAL MG1 1 86 LEU HB2 3.000 . 4.100 2.364 2.194 3.008 . 0 0 "[ . 1 . 2]" 1 402 1 13 ASN HA 1 14 PRO HA 3.800 . 5.600 4.451 4.379 4.505 . 0 0 "[ . 1 . 2]" 1 403 1 49 ALA HA 1 51 SER H 3.900 . 5.800 3.605 3.065 4.943 . 0 0 "[ . 1 . 2]" 1 404 1 146 VAL HB 1 147 PRO HD2 2.300 . 3.000 2.202 2.156 2.294 . 0 0 "[ . 1 . 2]" 1 405 1 94 CYS HB2 1 95 PRO HD2 2.800 . 3.700 2.261 2.005 2.330 . 0 0 "[ . 1 . 2]" 1 406 1 146 VAL HA 1 147 PRO HD2 2.100 . 2.600 2.272 2.169 2.372 . 0 0 "[ . 1 . 2]" 1 407 1 48 GLU HB2 1 58 ALA HA 4.400 . 6.000 5.226 4.002 6.036 0.036 6 0 "[ . 1 . 2]" 1 408 1 43 LEU HA 1 43 LEU HB2 3.300 . 4.700 2.680 2.374 3.018 . 0 0 "[ . 1 . 2]" 1 409 1 43 LEU HA 1 59 VAL MG2 4.600 . 6.000 3.694 2.756 4.856 . 0 0 "[ . 1 . 2]" 1 410 1 86 LEU H 1 86 LEU HA 2.400 . 3.100 2.593 2.566 2.612 . 0 0 "[ . 1 . 2]" 1 411 1 10 ARG HA 1 11 VAL MG1 3.700 . 5.400 3.252 2.723 3.516 . 0 0 "[ . 1 . 2]" 1 412 1 10 ARG HA 1 10 ARG HG2 3.300 . 4.700 3.608 2.900 3.812 . 0 0 "[ . 1 . 2]" 1 413 1 85 LYS HA 1 85 LYS QG 2.800 . 3.800 2.663 2.210 3.038 . 0 0 "[ . 1 . 2]" 1 414 1 79 TYR QD 1 80 GLU HA 3.300 . 4.600 3.226 2.961 3.765 . 0 0 "[ . 1 . 2]" 1 415 1 109 VAL HB 1 137 HIS HA 3.700 . 5.400 4.153 3.779 4.547 . 0 0 "[ . 1 . 2]" 1 416 1 50 LYS HA 1 50 LYS HB2 2.800 . 3.800 2.375 1.816 2.866 . 0 0 "[ . 1 . 2]" 1 417 1 74 SER H 1 74 SER HA 2.600 . 3.400 2.585 2.534 2.610 . 0 0 "[ . 1 . 2]" 1 418 1 48 GLU H 1 48 GLU HA 2.800 . 3.600 2.743 2.169 2.871 . 0 0 "[ . 1 . 2]" 1 419 1 59 VAL MG2 1 73 LEU HA 2.700 . 3.600 2.428 2.297 2.556 . 0 0 "[ . 1 . 2]" 1 420 1 45 VAL MG2 1 73 LEU HA 3.500 . 5.000 2.134 1.924 2.288 0.076 4 0 "[ . 1 . 2]" 1 421 1 2 LYS HA 1 23 THR MG 3.200 . 4.400 2.745 2.141 3.320 . 0 0 "[ . 1 . 2]" 1 422 1 122 PHE HA 1 122 PHE QD 2.400 . 3.100 2.051 1.657 2.971 0.043 14 0 "[ . 1 . 2]" 1 423 1 122 PHE HA 1 134 PHE HB3 3.000 . 4.100 2.879 2.700 2.960 . 0 0 "[ . 1 . 2]" 1 424 1 127 GLU HA 1 127 GLU QG 3.300 . 4.700 3.237 2.414 3.542 . 0 0 "[ . 1 . 2]" 1 425 1 82 GLN HA 1 82 GLN HB2 3.000 . 4.100 2.502 1.982 2.658 . 0 0 "[ . 1 . 2]" 1 426 1 26 LYS H 1 26 LYS HA 2.900 . 3.900 2.840 2.781 2.903 . 0 0 "[ . 1 . 2]" 1 427 1 4 ASN H 1 24 SER HB2 3.000 . 4.100 2.426 2.232 2.575 . 0 0 "[ . 1 . 2]" 1 428 1 139 SER HA 1 139 SER HB2 2.600 . 3.500 2.757 2.421 2.994 . 0 0 "[ . 1 . 2]" 1 429 1 76 THR HA 1 76 THR MG 2.900 . 3.900 2.767 2.253 3.233 . 0 0 "[ . 1 . 2]" 1 430 1 59 VAL HA 1 59 VAL MG2 2.800 . 3.800 2.437 2.383 2.518 . 0 0 "[ . 1 . 2]" 1 431 1 11 VAL HA 1 11 VAL MG1 3.300 . 4.500 2.836 1.879 3.150 . 0 0 "[ . 1 . 2]" 1 432 1 25 LEU MD1 1 45 VAL HA 2.700 . 3.600 2.349 2.069 2.584 . 0 0 "[ . 1 . 2]" 1 433 1 45 VAL HA 1 45 VAL MG1 2.900 . 4.000 2.586 2.196 3.195 . 0 0 "[ . 1 . 2]" 1 434 1 111 LYS HG2 1 112 SER HA 3.300 . 4.700 2.756 2.638 2.875 . 0 0 "[ . 1 . 2]" 1 435 1 74 SER HB2 1 88 TYR HA 2.800 . 3.800 2.530 1.749 2.972 0.051 17 0 "[ . 1 . 2]" 1 436 1 72 LYS H 1 74 SER HB2 3.900 . 5.800 4.137 3.569 4.430 . 0 0 "[ . 1 . 2]" 1 437 1 74 SER QB 1 86 LEU HG 3.200 . 4.500 3.443 2.334 3.940 . 0 0 "[ . 1 . 2]" 1 438 1 109 VAL QG 1 135 SER HB3 3.300 . 4.700 3.357 2.394 4.046 . 0 0 "[ . 1 . 2]" 1 439 1 45 VAL MG1 1 74 SER QB 4.500 . 6.000 4.006 2.351 4.784 . 0 0 "[ . 1 . 2]" 1 440 1 9 CYS HA 1 22 LEU QB 4.000 . 6.000 2.918 2.177 3.799 . 0 0 "[ . 1 . 2]" 1 441 1 9 CYS HA 1 45 VAL MG1 3.500 2.150 4.800 3.309 2.065 4.152 0.085 2 0 "[ . 1 . 2]" 1 442 1 12 THR HA 1 13 ASN H 2.400 . 2.900 1.986 1.869 2.057 . 0 0 "[ . 1 . 2]" 1 443 1 33 ILE MD 1 122 PHE HA 3.900 . 5.800 3.534 3.310 3.754 . 0 0 "[ . 1 . 2]" 1 444 1 128 GLN HA 1 128 GLN HB2 2.300 . 3.000 2.455 2.297 2.526 . 0 0 "[ . 1 . 2]" 1 445 1 26 LYS HA 1 26 LYS HB3 2.700 . 3.600 2.420 2.289 2.581 . 0 0 "[ . 1 . 2]" 1 446 1 27 ARG HG2 1 29 SER HA 4.000 . 6.000 4.097 3.508 4.815 . 0 0 "[ . 1 . 2]" 1 447 1 25 LEU HB3 1 26 LYS HA 4.000 . 6.000 3.964 3.744 4.326 . 0 0 "[ . 1 . 2]" 1 448 1 4 ASN HD21 1 24 SER HA 3.600 . 5.300 4.300 2.899 4.908 . 0 0 "[ . 1 . 2]" 1 449 1 36 SER HA 1 37 HIS H 3.000 . 4.500 2.685 2.622 2.743 . 0 0 "[ . 1 . 2]" 1 450 1 24 SER HA 1 24 SER QB 2.200 . 2.800 2.143 2.038 2.307 . 0 0 "[ . 1 . 2]" 1 451 1 4 ASN H 1 24 SER HA 3.000 . 4.100 2.658 2.487 2.809 . 0 0 "[ . 1 . 2]" 1 452 1 49 ALA MB 1 53 CYS HA 4.000 . 5.500 2.601 1.793 3.431 0.007 1 0 "[ . 1 . 2]" 1 453 1 45 VAL HA 1 45 VAL HB 3.500 . 5.000 2.805 2.341 2.989 . 0 0 "[ . 1 . 2]" 1 454 1 28 GLU H 1 29 SER QB 3.100 . 4.300 2.558 2.332 3.312 . 0 0 "[ . 1 . 2]" 1 455 1 36 SER QB 1 37 HIS H 3.500 . 5.000 2.709 2.322 3.377 . 0 0 "[ . 1 . 2]" 1 456 1 29 SER H 1 29 SER HB3 2.800 . 3.800 2.320 2.049 2.781 . 0 0 "[ . 1 . 2]" 1 457 1 65 PRO HA 1 65 PRO HG2 4.100 . 6.000 3.994 3.871 4.112 . 0 0 "[ . 1 . 2]" 1 458 1 123 LEU H 1 124 SER HB3 3.300 . 4.700 3.012 2.562 3.534 . 0 0 "[ . 1 . 2]" 1 459 1 29 SER HA 1 29 SER HB3 2.400 . 3.100 2.191 2.081 2.372 . 0 0 "[ . 1 . 2]" 1 460 1 83 VAL QG 1 107 SER HB2 3.400 . 4.900 3.291 1.894 4.045 0.106 1 0 "[ . 1 . 2]" 1 461 1 83 VAL QG 1 107 SER HB3 3.000 . 4.100 2.643 1.891 3.510 0.009 18 0 "[ . 1 . 2]" 1 462 1 12 THR HB 1 14 PRO HA 4.300 . 6.000 4.430 4.178 4.744 . 0 0 "[ . 1 . 2]" 1 463 1 43 LEU QD 1 44 ASN HA 3.900 . 5.800 2.697 2.257 3.776 . 0 0 "[ . 1 . 2]" 1 464 1 22 LEU HA 1 22 LEU HG 2.800 . 3.800 3.090 2.941 3.217 . 0 0 "[ . 1 . 2]" 1 465 1 10 ARG H 1 10 ARG HG3 2.800 . 3.500 2.295 1.976 3.112 . 0 0 "[ . 1 . 2]" 1 466 1 120 PRO HA 1 120 PRO HG3 3.300 . 4.700 2.568 2.355 3.047 . 0 0 "[ . 1 . 2]" 1 467 1 43 LEU HB3 1 88 TYR HB2 5.400 . 6.000 6.208 5.990 6.798 0.798 1 2 "[+ . 1 . -]" 1 468 1 45 VAL MG2 1 47 ALA MB 3.600 . 6.000 3.619 3.073 4.054 . 0 0 "[ . 1 . 2]" 1 469 1 43 LEU HB2 1 43 LEU QD 2.400 . 3.100 2.161 2.065 2.322 . 0 0 "[ . 1 . 2]" 1 470 1 43 LEU QD 1 59 VAL MG1 3.300 . 4.800 2.240 1.753 3.044 0.047 15 0 "[ . 1 . 2]" 1 471 1 68 LEU HB2 1 68 LEU HG 2.800 . 3.800 2.740 2.370 2.920 . 0 0 "[ . 1 . 2]" 1 472 1 45 VAL HB 1 86 LEU MD1 3.000 . 4.100 2.182 2.030 2.357 . 0 0 "[ . 1 . 2]" 1 473 1 61 ILE HB 1 68 LEU MD2 2.800 . 3.800 2.138 2.016 2.304 . 0 0 "[ . 1 . 2]" 1 474 1 22 LEU HB2 1 77 LEU QD 2.400 . 3.100 2.177 1.969 2.251 . 0 0 "[ . 1 . 2]" 1 475 1 31 TYR HB3 1 43 LEU QD 4.200 . 6.000 3.271 2.195 4.890 . 0 0 "[ . 1 . 2]" 1 476 1 25 LEU HB3 1 45 VAL MG1 3.100 . 4.300 2.679 1.915 3.603 . 0 0 "[ . 1 . 2]" 1 477 1 12 THR MG 1 19 LEU QD 2.000 . 2.500 1.869 1.836 1.882 . 0 0 "[ . 1 . 2]" 1 478 1 12 THR MG 1 20 PHE QE 3.800 . 5.400 4.128 3.924 4.440 . 0 0 "[ . 1 . 2]" 1 479 1 43 LEU HB2 1 59 VAL MG1 2.200 . 2.800 2.106 2.040 2.134 . 0 0 "[ . 1 . 2]" 1 480 1 109 VAL MG1 1 109 VAL MG2 2.200 . 2.800 2.053 1.938 2.093 . 0 0 "[ . 1 . 2]" 1 481 1 4 ASN HD21 1 23 THR HA 3.600 . 5.200 3.536 3.091 4.226 . 0 0 "[ . 1 . 2]" 1 482 1 27 ARG H 1 27 ARG HG3 2.900 . 4.000 2.750 1.951 3.744 . 0 0 "[ . 1 . 2]" 1 483 1 26 LYS HA 1 26 LYS HB2 2.400 . 3.100 2.640 2.395 3.032 . 0 0 "[ . 1 . 2]" 1 484 1 57 ALA MB 1 60 CYS HA 4.500 . 6.000 4.031 3.333 4.475 . 0 0 "[ . 1 . 2]" 1 485 1 42 GLU QG 1 60 CYS HB3 4.100 . 6.000 4.482 3.107 5.114 . 0 0 "[ . 1 . 2]" 1 486 1 19 LEU HB3 1 20 PHE H 4.900 . 6.000 3.870 3.611 4.000 . 0 0 "[ . 1 . 2]" 1 487 1 29 SER HB3 1 50 LYS HB3 4.600 . 6.000 5.130 3.342 6.989 0.989 17 1 "[ . 1 . + 2]" 1 488 1 27 ARG HG3 1 29 SER HB3 4.000 . 6.000 4.198 3.320 5.152 . 0 0 "[ . 1 . 2]" 1 489 1 25 LEU MD2 1 47 ALA H 4.500 . 6.000 3.717 1.873 5.694 0.127 8 0 "[ . 1 . 2]" 1 490 1 24 SER HA 1 25 LEU MD2 4.000 . 6.000 3.358 2.211 4.327 . 0 0 "[ . 1 . 2]" 1 491 1 25 LEU MD2 1 26 LYS QG 4.700 . 6.000 3.607 1.944 4.374 . 0 0 "[ . 1 . 2]" 1 492 1 77 LEU QD 1 85 LYS H 4.900 . 6.000 3.850 3.290 5.159 . 0 0 "[ . 1 . 2]" 1 493 1 9 CYS H 1 77 LEU MD1 4.000 . 6.000 4.622 3.632 4.952 . 0 0 "[ . 1 . 2]" 1 494 1 59 VAL HA 1 61 ILE MD 4.800 . 6.000 4.581 4.262 4.951 . 0 0 "[ . 1 . 2]" 1 495 1 12 THR HA 1 18 HIS H 4.900 . 6.000 4.426 4.105 4.817 . 0 0 "[ . 1 . 2]" 1 496 1 13 ASN HA 1 20 PHE QE 3.900 . 5.800 3.725 3.167 4.315 . 0 0 "[ . 1 . 2]" 1 497 1 13 ASN HA 1 16 THR H 4.100 . 6.000 3.562 3.112 3.940 . 0 0 "[ . 1 . 2]" 1 498 1 6 GLN HA 1 8 ASP H 2.900 . 4.000 2.463 2.026 3.036 . 0 0 "[ . 1 . 2]" 1 499 1 32 THR HA 1 43 LEU QD 3.000 . 6.000 3.169 2.467 3.960 . 0 0 "[ . 1 . 2]" 1 500 1 47 ALA HA 1 48 GLU HA 3.200 . 4.500 3.252 2.500 3.666 . 0 0 "[ . 1 . 2]" 1 501 1 58 ALA HA 1 72 LYS QG 3.700 . 5.400 5.210 4.738 5.493 0.093 7 0 "[ . 1 . 2]" 1 502 1 68 LEU HA 1 69 ASN HB2 5.000 . 6.000 4.289 4.091 4.462 . 0 0 "[ . 1 . 2]" 1 503 1 14 PRO HD2 1 19 LEU QD 3.900 . 5.800 5.041 4.789 5.178 . 0 0 "[ . 1 . 2]" 1 504 1 46 CYS H 1 73 LEU QD 4.100 . 6.000 3.245 2.078 4.605 . 0 0 "[ . 1 . 2]" 1 505 1 34 THR HB 1 41 ILE H 4.700 . 6.000 5.010 4.343 5.382 . 0 0 "[ . 1 . 2]" 1 506 1 11 VAL MG2 1 20 PHE HB3 4.200 . 6.000 3.330 3.055 3.637 . 0 0 "[ . 1 . 2]" 1 507 1 11 VAL MG2 1 79 TYR QB 4.500 . 6.000 3.567 3.216 3.920 . 0 0 "[ . 1 . 2]" 1 508 1 11 VAL MG1 1 20 PHE HB3 3.500 . 5.000 2.898 2.538 3.249 . 0 0 "[ . 1 . 2]" 1 509 1 11 VAL MG1 1 79 TYR QB 3.900 . 5.800 2.683 2.195 3.127 . 0 0 "[ . 1 . 2]" 1 510 1 20 PHE HB3 1 84 LEU MD1 3.200 . 4.500 2.375 1.859 2.843 0.041 6 0 "[ . 1 . 2]" 1 511 1 4 ASN QB 1 5 VAL HB 4.800 . 6.000 4.178 3.210 5.116 . 0 0 "[ . 1 . 2]" 1 512 1 85 LYS H 1 85 LYS HA 3.000 . 4.100 2.924 2.895 2.971 . 0 0 "[ . 1 . 2]" 1 513 1 86 LEU HA 1 86 LEU MD1 3.600 . 5.200 2.855 2.030 3.463 . 0 0 "[ . 1 . 2]" 1 514 1 86 LEU HB3 1 106 PHE QD 4.400 . 6.000 3.518 2.597 5.043 . 0 0 "[ . 1 . 2]" 1 515 1 86 LEU HB2 1 106 PHE QD 3.800 . 5.600 3.349 2.965 3.806 . 0 0 "[ . 1 . 2]" 1 516 1 20 PHE HB3 1 77 LEU QD 4.000 . 6.000 3.081 2.238 3.994 . 0 0 "[ . 1 . 2]" 1 517 1 45 VAL MG1 1 86 LEU MD2 2.600 . 3.400 2.001 1.565 2.083 0.235 10 0 "[ . 1 . 2]" 1 518 1 44 ASN HB3 1 73 LEU QD 4.800 . 6.000 3.358 2.729 4.011 . 0 0 "[ . 1 . 2]" 1 519 1 85 LYS HB3 1 87 VAL MG1 3.200 . 4.500 3.082 2.479 3.868 . 0 0 "[ . 1 . 2]" 1 520 1 87 VAL MG1 1 89 GLU HB2 4.600 . 6.000 5.531 4.658 5.907 . 0 0 "[ . 1 . 2]" 1 521 1 87 VAL MG1 1 105 TYR HB2 4.500 . 6.000 4.185 3.455 4.723 . 0 0 "[ . 1 . 2]" 1 522 1 88 TYR HB2 1 88 TYR QD 3.300 . 4.700 2.149 1.913 2.300 . 0 0 "[ . 1 . 2]" 1 523 1 88 TYR H 1 89 GLU HG2 4.500 . 6.000 4.215 2.901 4.774 . 0 0 "[ . 1 . 2]" 1 524 1 72 LYS QB 1 90 ASP HB3 3.300 . 4.600 3.628 2.589 4.605 0.005 18 0 "[ . 1 . 2]" 1 525 1 4 ASN HB2 1 23 THR HA 4.400 . 6.000 3.577 2.485 4.095 . 0 0 "[ . 1 . 2]" 1 526 1 94 CYS HB2 1 96 THR H 3.700 . 5.400 2.619 1.989 3.901 0.011 6 0 "[ . 1 . 2]" 1 527 1 95 PRO HB3 1 96 THR HB 4.700 . 6.000 4.044 2.496 5.145 . 0 0 "[ . 1 . 2]" 1 528 1 12 THR MG 1 13 ASN HB3 4.800 . 6.000 4.037 3.206 4.334 . 0 0 "[ . 1 . 2]" 1 529 1 109 VAL QG 1 110 CYS HB2 4.500 . 6.000 4.321 2.989 4.945 . 0 0 "[ . 1 . 2]" 1 530 1 110 CYS HB3 1 143 GLU H 4.500 . 6.000 4.804 3.289 6.045 0.045 16 0 "[ . 1 . 2]" 1 531 1 13 ASN H 1 13 ASN HB3 4.500 . 6.000 2.477 2.251 2.815 . 0 0 "[ . 1 . 2]" 1 532 1 13 ASN HB3 1 79 TYR HA 4.500 . 6.000 4.029 2.629 5.120 . 0 0 "[ . 1 . 2]" 1 533 1 8 ASP QB 1 75 LYS QB 4.100 . 6.000 3.425 2.074 4.325 . 0 0 "[ . 1 . 2]" 1 534 1 8 ASP QB 1 75 LYS QB 4.000 . 6.000 3.068 1.904 4.432 0.096 15 0 "[ . 1 . 2]" 1 535 1 15 ALA MB 1 142 CYS HB3 4.600 . 6.000 3.569 2.184 5.321 . 0 0 "[ . 1 . 2]" 1 536 1 114 ALA HA 1 136 TRP HE1 4.100 . 6.000 3.966 2.969 4.787 . 0 0 "[ . 1 . 2]" 1 537 1 33 ILE MD 1 120 PRO HB3 4.400 . 6.000 3.270 2.542 4.160 . 0 0 "[ . 1 . 2]" 1 538 1 41 ILE MD 1 120 PRO HB2 4.600 . 6.000 3.456 2.025 4.944 . 0 0 "[ . 1 . 2]" 1 539 1 121 VAL HA 1 122 PHE QD 4.800 . 6.000 3.584 3.391 4.069 . 0 0 "[ . 1 . 2]" 1 540 1 109 VAL QG 1 137 HIS H 4.700 . 6.000 3.854 3.533 4.101 . 0 0 "[ . 1 . 2]" 1 541 1 120 PRO HA 1 121 VAL MG1 2.500 . 3.300 3.063 2.526 3.243 . 0 0 "[ . 1 . 2]" 1 542 1 83 VAL HA 1 108 PHE HB3 5.900 . 6.000 4.601 4.335 4.731 . 0 0 "[ . 1 . 2]" 1 543 1 22 LEU HG 1 108 PHE HB3 3.700 . 5.400 2.547 1.963 3.332 0.037 15 0 "[ . 1 . 2]" 1 544 1 25 LEU MD1 1 108 PHE HB3 4.500 . 6.000 2.895 2.325 3.255 . 0 0 "[ . 1 . 2]" 1 545 1 41 ILE MD 1 122 PHE HB2 4.200 . 6.000 3.304 2.740 4.122 . 0 0 "[ . 1 . 2]" 1 546 1 88 TYR HB2 1 106 PHE QD 3.200 . 4.500 2.383 2.291 2.463 . 0 0 "[ . 1 . 2]" 1 547 1 59 VAL MG2 1 74 SER QB 4.700 . 6.000 4.362 2.500 5.053 . 0 0 "[ . 1 . 2]" 1 548 1 97 ASP H 1 100 MET HG3 4.600 . 6.000 2.686 2.250 4.087 . 0 0 "[ . 1 . 2]" 1 549 1 114 ALA MB 1 136 TRP HB3 4.800 . 6.000 4.746 4.021 5.076 . 0 0 "[ . 1 . 2]" 1 550 1 108 PHE HA 1 141 ALA H 5.500 . 6.000 5.728 5.469 5.938 . 0 0 "[ . 1 . 2]" 1 551 1 19 LEU HB3 1 21 ASP HB2 4.600 . 6.000 4.611 3.666 5.491 . 0 0 "[ . 1 . 2]" 1 552 1 11 VAL HA 1 12 THR MG 4.000 . 6.000 4.132 3.839 4.854 . 0 0 "[ . 1 . 2]" 1 553 1 110 CYS HB2 1 142 CYS HB3 4.600 . 6.000 4.698 1.405 5.924 0.595 3 1 "[ + . 1 . 2]" 1 554 1 20 PHE QE 1 143 GLU QB 3.900 . 5.800 2.929 1.991 3.678 0.009 2 0 "[ . 1 . 2]" 1 555 1 13 ASN QD 1 143 GLU HG2 4.400 . 6.000 4.690 3.778 5.501 . 0 0 "[ . 1 . 2]" 1 556 1 12 THR HA 1 20 PHE QE 5.000 . 6.000 5.033 4.068 5.441 . 0 0 "[ . 1 . 2]" 1 557 1 14 PRO HD2 1 15 ALA HA 4.500 . 6.000 4.186 3.970 4.255 . 0 0 "[ . 1 . 2]" 1 558 1 9 CYS HB3 1 23 THR MG 3.700 . 5.400 3.382 2.350 3.874 . 0 0 "[ . 1 . 2]" 1 559 1 10 ARG HE 1 11 VAL MG2 4.500 . 6.000 4.827 3.147 6.026 0.026 3 0 "[ . 1 . 2]" 1 560 1 33 ILE HB 1 33 ILE QG 3.200 . 4.400 2.321 2.256 2.381 . 0 0 "[ . 1 . 2]" 1 561 1 33 ILE HB 1 41 ILE MD 4.400 . 6.000 2.617 2.290 3.038 . 0 0 "[ . 1 . 2]" 1 562 1 35 ASP QB 1 61 ILE HG12 2.900 . 3.900 3.168 2.229 4.402 0.502 8 1 "[ . + 1 . 2]" 1 563 1 31 TYR QD 1 44 ASN HA 3.300 . 4.700 3.669 2.128 4.799 0.099 4 0 "[ . 1 . 2]" 1 564 1 25 LEU MD1 1 44 ASN HA 3.800 . 5.600 3.253 2.788 4.160 . 0 0 "[ . 1 . 2]" 1 565 1 31 TYR QD 1 106 PHE HB2 4.500 . 6.000 3.316 2.454 3.686 . 0 0 "[ . 1 . 2]" 1 566 1 22 LEU HA 1 23 THR H 3.200 . 4.500 2.672 2.201 3.249 . 0 0 "[ . 1 . 2]" 1 567 1 43 LEU QD 1 58 ALA MB 4.200 . 6.000 2.372 1.892 2.964 0.108 4 0 "[ . 1 . 2]" 1 568 1 48 GLU HB2 1 58 ALA MB 5.300 . 6.000 4.343 3.966 4.758 . 0 0 "[ . 1 . 2]" 1 569 1 57 ALA MB 1 58 ALA MB 2.400 . 3.100 2.254 1.811 2.498 . 0 0 "[ . 1 . 2]" 1 570 1 58 ALA MB 1 88 TYR H 4.700 . 6.000 3.932 3.189 4.493 . 0 0 "[ . 1 . 2]" 1 571 1 57 ALA MB 1 60 CYS HB2 4.600 . 6.000 3.822 2.721 4.373 . 0 0 "[ . 1 . 2]" 1 572 1 62 THR MG 1 64 GLY H 3.500 . 5.000 3.595 3.196 3.920 . 0 0 "[ . 1 . 2]" 1 573 1 63 ASP HA 1 63 ASP QB 3.100 . 4.300 2.323 2.178 2.450 . 0 0 "[ . 1 . 2]" 1 574 1 11 VAL HA 1 77 LEU HB3 4.600 . 6.000 4.452 3.900 5.325 . 0 0 "[ . 1 . 2]" 1 575 1 11 VAL HA 1 77 LEU HB2 5.100 . 6.000 4.205 3.923 4.518 . 0 0 "[ . 1 . 2]" 1 576 1 33 ILE H 1 35 ASP QB 4.300 . 6.000 2.458 2.302 2.941 . 0 0 "[ . 1 . 2]" 1 577 1 104 SER HB3 1 105 TYR HB2 4.100 . 6.000 2.552 2.344 2.770 . 0 0 "[ . 1 . 2]" 1 578 1 104 SER HB3 1 105 TYR HB3 3.800 . 5.600 2.475 2.370 2.544 . 0 0 "[ . 1 . 2]" 1 579 1 106 PHE QD 1 107 SER HA 3.000 . 4.100 3.645 3.302 4.110 0.010 12 0 "[ . 1 . 2]" 1 580 1 109 VAL HB 1 110 CYS HA 2.800 . 3.800 2.714 2.122 3.181 . 0 0 "[ . 1 . 2]" 1 581 1 46 CYS HA 1 74 SER HA 3.900 . 5.800 5.670 5.109 6.175 0.375 8 0 "[ . 1 . 2]" 1 582 1 40 LYS HA 1 40 LYS QB 2.600 . 3.500 2.294 2.018 2.437 . 0 0 "[ . 1 . 2]" 1 583 1 72 LYS HA 1 73 LEU QD 5.400 . 6.000 4.141 3.491 4.654 . 0 0 "[ . 1 . 2]" 1 584 1 23 THR MG 1 24 SER HA 5.000 . 6.000 4.358 3.397 4.782 . 0 0 "[ . 1 . 2]" 1 585 1 85 LYS HA 1 105 TYR QE 3.400 . 4.900 3.188 2.643 4.174 . 0 0 "[ . 1 . 2]" 1 586 1 126 ASP H 1 126 ASP HA 2.300 . 2.900 2.072 1.922 2.180 . 0 0 "[ . 1 . 2]" 1 587 1 125 PHE H 1 132 SER HA 4.000 . 6.000 4.962 4.688 5.400 . 0 0 "[ . 1 . 2]" 1 588 1 27 ARG H 1 27 ARG HD2 5.200 . 6.000 4.148 3.011 4.456 . 0 0 "[ . 1 . 2]" 1 589 1 41 ILE MD 1 41 ILE MG 1.900 . 2.300 1.691 1.477 1.867 0.023 18 0 "[ . 1 . 2]" 1 590 1 40 LYS HA 1 41 ILE MG 4.800 . 6.000 4.208 3.594 4.718 . 0 0 "[ . 1 . 2]" 1 591 1 84 LEU H 1 84 LEU MD2 4.700 . 6.000 4.113 4.056 4.206 . 0 0 "[ . 1 . 2]" 1 592 1 107 SER H 1 119 GLN HG3 2.700 . 6.000 5.891 4.949 6.157 0.157 11 0 "[ . 1 . 2]" 1 593 1 2 LYS QD 1 2 LYS QE 1.800 . 2.200 1.638 1.609 1.672 . 0 0 "[ . 1 . 2]" 1 594 1 26 LYS QE 1 26 LYS QG 2.300 . 6.000 2.177 1.908 2.571 . 0 0 "[ . 1 . 2]" 1 595 1 84 LEU HB2 1 85 LYS H 4.700 . 6.000 4.249 4.129 4.374 . 0 0 "[ . 1 . 2]" 1 596 1 44 ASN HD22 1 47 ALA HA 4.500 . 6.000 3.906 3.317 5.470 . 0 0 "[ . 1 . 2]" 1 597 1 126 ASP QB 1 131 THR HB 4.200 . 6.000 2.988 2.032 4.228 . 0 0 "[ . 1 . 2]" 1 598 1 61 ILE HB 1 68 LEU MD2 2.600 . 3.400 2.142 2.020 2.307 . 0 0 "[ . 1 . 2]" 1 599 1 20 PHE HB2 1 84 LEU MD2 3.800 . 5.200 3.393 2.961 3.876 . 0 0 "[ . 1 . 2]" 1 600 1 83 VAL HA 1 84 LEU MD2 5.300 . 6.000 5.943 5.758 6.038 0.038 18 0 "[ . 1 . 2]" 1 601 1 68 LEU MD2 1 92 ASP HA 4.300 . 6.000 4.411 4.016 5.333 . 0 0 "[ . 1 . 2]" 1 602 1 20 PHE HA 1 84 LEU MD2 3.700 . 5.400 3.988 3.359 4.494 . 0 0 "[ . 1 . 2]" 1 603 1 20 PHE H 1 84 LEU MD2 3.700 . 6.000 5.169 4.892 5.591 . 0 0 "[ . 1 . 2]" 1 604 1 84 LEU MD2 1 85 LYS H 4.400 . 6.000 4.451 4.256 4.765 . 0 0 "[ . 1 . 2]" 1 605 1 77 LEU HG 1 84 LEU H 3.800 . 5.600 4.358 4.305 4.423 . 0 0 "[ . 1 . 2]" 1 606 1 33 ILE QG 1 42 GLU H 3.800 . 5.600 3.955 2.601 4.282 . 0 0 "[ . 1 . 2]" 1 607 1 77 LEU HA 1 77 LEU HG 3.200 . 4.500 3.004 2.519 3.483 . 0 0 "[ . 1 . 2]" 1 608 1 47 ALA MB 1 73 LEU QD 3.000 . 4.100 2.702 2.216 3.123 . 0 0 "[ . 1 . 2]" 1 609 1 39 ARG QG 1 40 LYS HA 4.400 . 6.000 5.175 4.020 5.893 . 0 0 "[ . 1 . 2]" 1 610 1 36 SER HB2 1 39 ARG HG2 4.400 . 6.000 6.074 4.550 6.947 0.947 6 4 "[* -+ 1 . *]" 1 611 1 6 GLN HA 1 46 CYS HB3 2.800 . 3.800 2.584 2.358 3.028 . 0 0 "[ . 1 . 2]" 1 612 1 26 LYS HA 1 46 CYS HB2 3.600 . 5.200 2.747 2.432 2.987 . 0 0 "[ . 1 . 2]" 1 613 1 22 LEU QB 1 46 CYS HB2 3.700 . 5.400 3.163 2.081 3.891 . 0 0 "[ . 1 . 2]" 1 614 1 22 LEU MD1 1 25 LEU HB3 3.200 . 4.500 2.425 2.247 2.990 . 0 0 "[ . 1 . 2]" 1 615 1 21 ASP H 1 22 LEU MD1 4.400 . 6.000 5.440 5.191 5.768 . 0 0 "[ . 1 . 2]" 1 616 1 3 SER H 1 22 LEU MD1 4.300 . 6.000 5.139 4.641 5.417 . 0 0 "[ . 1 . 2]" 1 617 1 22 LEU MD1 1 23 THR H 5.800 . 6.000 5.110 4.904 5.292 . 0 0 "[ . 1 . 2]" 1 618 1 33 ILE H 1 33 ILE QG 3.500 . 5.000 2.246 2.076 2.422 . 0 0 "[ . 1 . 2]" 1 619 1 32 THR HA 1 33 ILE QG 4.500 . 6.000 2.901 2.778 3.024 . 0 0 "[ . 1 . 2]" 1 620 1 32 THR H 1 33 ILE MG 3.400 . 4.900 4.080 3.548 4.993 0.093 3 0 "[ . 1 . 2]" 1 621 1 27 ARG H 1 60 CYS HB3 4.000 . 5.600 2.482 2.030 2.832 . 0 0 "[ . 1 . 2]" 1 622 1 29 SER HB3 1 31 TYR HA 4.200 . 5.800 4.269 3.851 4.745 . 0 0 "[ . 1 . 2]" 1 623 1 36 SER H 1 36 SER QB 3.300 . 4.300 2.420 2.112 2.843 . 0 0 "[ . 1 . 2]" 1 624 1 50 LYS HA 1 50 LYS HB3 2.800 . 3.800 2.840 2.406 3.036 . 0 0 "[ . 1 . 2]" 1 625 1 50 LYS HA 1 50 LYS HB2 2.700 . 3.600 2.687 2.460 3.026 . 0 0 "[ . 1 . 2]" 1 626 1 41 ILE MG 1 59 VAL MG2 3.900 . 5.800 4.240 2.265 5.195 . 0 0 "[ . 1 . 2]" 1 627 1 33 ILE QG 1 41 ILE H 3.300 . 4.600 2.442 2.175 2.825 . 0 0 "[ . 1 . 2]" 1 628 1 44 ASN HB2 1 49 ALA HA 2.800 . 3.800 2.399 1.852 2.983 . 0 0 "[ . 1 . 2]" 1 629 1 44 ASN HB2 1 45 VAL H 4.600 . 6.000 3.523 2.251 3.908 . 0 0 "[ . 1 . 2]" 1 630 1 45 VAL HA 1 88 TYR QE 4.800 . 6.000 3.215 2.473 4.520 . 0 0 "[ . 1 . 2]" 1 631 1 26 LYS HA 1 45 VAL HB 4.300 . 6.000 3.896 2.239 5.056 . 0 0 "[ . 1 . 2]" 1 632 1 26 LYS H 1 45 VAL HB 4.600 . 6.000 4.735 3.527 6.078 0.078 5 0 "[ . 1 . 2]" 1 633 1 11 VAL MG1 1 13 ASN H 4.800 . 6.000 3.291 2.739 3.606 . 0 0 "[ . 1 . 2]" 1 634 1 31 TYR H 1 45 VAL MG2 3.000 . 6.000 5.325 3.486 6.974 0.974 3 3 "[- + . 1 .* 2]" 1 635 1 10 ARG HB2 1 19 LEU QD 2.100 . 2.700 1.917 1.663 2.122 . 0 0 "[ . 1 . 2]" 1 636 1 45 VAL MG1 1 45 VAL MG2 2.800 . 3.400 1.935 1.809 2.042 . 0 0 "[ . 1 . 2]" 1 637 1 61 ILE HA 1 61 ILE HB 3.700 . 5.400 3.011 3.002 3.025 . 0 0 "[ . 1 . 2]" 1 638 1 68 LEU MD1 1 102 HIS HE1 5.000 . 6.000 2.842 2.313 3.654 . 0 0 "[ . 1 . 2]" 1 639 1 60 CYS H 1 68 LEU MD2 4.700 . 6.000 4.387 3.941 5.374 . 0 0 "[ . 1 . 2]" 1 640 1 71 GLY H 1 72 LYS QB 4.000 . 6.000 2.763 1.993 3.406 . 0 0 "[ . 1 . 2]" 1 641 1 83 VAL QG 1 85 LYS QE 2.800 . 3.800 2.837 1.960 3.736 . 0 0 "[ . 1 . 2]" 1 642 1 20 PHE HA 1 84 LEU MD1 3.700 . 5.400 3.740 3.450 4.035 . 0 0 "[ . 1 . 2]" 1 643 1 96 THR HA 1 98 LEU QD 4.000 . 5.000 4.067 2.810 4.744 . 0 0 "[ . 1 . 2]" 1 644 1 108 PHE HA 1 108 PHE HB2 3.600 . 5.200 3.025 3.014 3.049 . 0 0 "[ . 1 . 2]" 1 645 1 132 SER HA 1 133 TYR QD 4.000 . 6.000 3.414 2.969 3.815 . 0 0 "[ . 1 . 2]" 1 646 1 138 THR MG 1 139 SER HA 3.900 . 5.800 3.259 2.856 3.703 . 0 0 "[ . 1 . 2]" 1 647 1 4 ASN HA 1 5 VAL QG 3.900 . 5.800 3.533 3.177 4.117 . 0 0 "[ . 1 . 2]" 1 648 1 4 ASN HD22 1 5 VAL QG 4.500 . 6.000 4.932 3.940 5.607 . 0 0 "[ . 1 . 2]" 1 649 1 83 VAL QG 1 85 LYS QD 2.900 . 3.900 2.014 1.894 2.077 0.006 15 0 "[ . 1 . 2]" 1 650 1 43 LEU HA 1 59 VAL MG1 5.000 . 6.000 3.882 3.320 4.445 . 0 0 "[ . 1 . 2]" 1 651 1 11 VAL MG1 1 20 PHE HB2 3.300 . 6.000 2.239 2.019 2.580 . 0 0 "[ . 1 . 2]" 1 652 1 6 GLN HA 1 6 GLN HB2 2.800 . 3.800 2.959 2.355 3.050 . 0 0 "[ . 1 . 2]" 1 653 1 95 PRO HG2 1 96 THR MG 5.200 . 6.000 4.150 2.807 5.111 . 0 0 "[ . 1 . 2]" 1 654 1 14 PRO QG 1 16 THR H 4.500 . 6.000 4.528 3.683 5.018 . 0 0 "[ . 1 . 2]" 1 655 1 6 GLN HB2 1 26 LYS QD 2.800 . 3.800 3.095 1.904 4.440 0.640 4 1 "[ +. 1 . 2]" 1 656 1 10 ARG HE 1 10 ARG HG3 4.000 . 5.000 3.193 2.304 3.785 . 0 0 "[ . 1 . 2]" 1 657 1 10 ARG HA 1 10 ARG HG3 4.000 . 5.000 3.366 2.525 3.792 . 0 0 "[ . 1 . 2]" 1 658 1 85 LYS QD 1 105 TYR QD 4.200 . 6.000 4.174 2.655 5.583 . 0 0 "[ . 1 . 2]" 1 659 1 85 LYS QD 1 105 TYR QE 4.100 . 6.000 4.556 3.624 5.582 . 0 0 "[ . 1 . 2]" 1 660 1 48 GLU HB3 1 55 ASN HD21 5.300 . 6.000 4.912 3.466 5.883 . 0 0 "[ . 1 . 2]" 1 661 1 143 GLU HA 1 144 GLU HB3 4.400 . 6.000 5.045 4.462 5.623 . 0 0 "[ . 1 . 2]" 1 662 1 48 GLU HB3 1 56 GLY HA2 4.500 . 6.000 3.732 2.601 5.530 . 0 0 "[ . 1 . 2]" 1 663 1 128 GLN HG2 1 129 THR MG 3.200 . 4.500 3.729 1.917 4.378 . 0 0 "[ . 1 . 2]" 1 664 1 126 ASP QB 1 129 THR MG 3.900 . 5.600 3.141 1.977 5.061 0.023 5 0 "[ . 1 . 2]" 1 665 1 86 LEU H 1 87 VAL MG1 3.900 . 5.800 3.791 3.481 4.285 . 0 0 "[ . 1 . 2]" 1 666 1 33 ILE H 1 41 ILE MD 5.600 . 6.000 4.877 4.061 5.464 . 0 0 "[ . 1 . 2]" 1 667 1 52 SER H 1 67 THR MG 4.000 . 6.000 5.268 3.645 6.035 0.035 15 0 "[ . 1 . 2]" 1 668 1 10 ARG HE 1 19 LEU QD 5.000 . 6.000 2.414 1.660 4.091 0.140 7 0 "[ . 1 . 2]" 1 669 1 10 ARG HD3 1 19 LEU QD 2.800 . 6.500 2.547 1.842 3.387 . 0 0 "[ . 1 . 2]" 1 670 1 34 THR MG 1 41 ILE MD 4.300 . 6.000 1.914 1.911 1.916 0.089 4 0 "[ . 1 . 2]" 1 671 1 41 ILE MD 1 122 PHE H 4.400 . 6.000 4.806 4.263 5.689 . 0 0 "[ . 1 . 2]" 1 672 1 43 LEU QD 1 106 PHE QE 3.200 . 4.500 2.059 1.778 2.907 0.122 3 0 "[ . 1 . 2]" 1 673 1 32 THR MG 1 40 LYS QE 3.500 . 5.000 3.942 1.955 5.068 0.068 2 0 "[ . 1 . 2]" 1 674 1 14 PRO HD2 1 15 ALA MB 3.800 . 5.600 4.131 3.420 4.555 . 0 0 "[ . 1 . 2]" 1 675 1 96 THR HB 1 97 ASP QB 5.000 . 6.000 3.974 3.258 4.993 . 0 0 "[ . 1 . 2]" 1 676 1 33 ILE H 1 41 ILE H 3.500 . 5.000 3.294 2.922 3.642 . 0 0 "[ . 1 . 2]" 1 677 1 41 ILE H 1 41 ILE HB 2.900 . 3.900 2.607 2.460 2.719 . 0 0 "[ . 1 . 2]" 1 678 1 41 ILE H 1 41 ILE HB 3.100 . 4.300 2.601 2.465 2.698 . 0 0 "[ . 1 . 2]" 1 679 1 42 GLU HB2 1 60 CYS H 4.600 . 6.000 3.468 2.905 3.913 . 0 0 "[ . 1 . 2]" 1 680 1 57 ALA MB 1 60 CYS H 4.300 . 6.000 3.900 2.979 4.115 . 0 0 "[ . 1 . 2]" 1 681 1 49 ALA MB 1 60 CYS H 4.300 . 6.000 4.118 3.729 4.434 . 0 0 "[ . 1 . 2]" 1 682 1 14 PRO HA 1 16 THR H 2.900 . 3.900 2.569 2.424 3.074 . 0 0 "[ . 1 . 2]" 1 683 1 14 PRO HD2 1 16 THR H 4.800 . 6.000 4.747 4.468 5.026 . 0 0 "[ . 1 . 2]" 1 684 1 43 LEU HB3 1 91 GLY H 3.900 . 6.000 4.526 2.011 5.743 . 0 0 "[ . 1 . 2]" 1 685 1 28 GLU HG3 1 30 GLY H 4.600 . 6.000 4.593 3.839 5.525 . 0 0 "[ . 1 . 2]" 1 686 1 28 GLU QB 1 30 GLY H 3.100 . 6.000 4.981 4.155 5.763 . 0 0 "[ . 1 . 2]" 1 687 1 26 LYS HB2 1 30 GLY H 4.000 . 6.000 4.924 3.356 5.453 . 0 0 "[ . 1 . 2]" 1 688 1 48 GLU QG 1 56 GLY H 3.800 . 5.100 5.024 4.395 5.257 0.157 5 0 "[ . 1 . 2]" 1 689 1 54 ALA MB 1 56 GLY H 3.800 . 5.200 3.775 3.161 4.772 . 0 0 "[ . 1 . 2]" 1 690 1 94 CYS HB2 1 96 THR H 3.300 . 4.300 2.954 2.429 3.835 . 0 0 "[ . 1 . 2]" 1 691 1 122 PHE HB2 1 124 SER H 3.100 . 4.300 2.549 2.248 2.862 . 0 0 "[ . 1 . 2]" 1 692 1 124 SER H 1 134 PHE H 5.700 . 6.000 5.136 4.494 5.402 . 0 0 "[ . 1 . 2]" 1 693 1 113 ASP HA 1 115 GLY H 4.500 . 6.000 3.788 3.263 4.820 . 0 0 "[ . 1 . 2]" 1 694 1 111 LYS QE 1 115 GLY H 5.000 . 6.000 5.317 3.053 6.345 0.345 10 0 "[ . 1 . 2]" 1 695 1 111 LYS QG 1 115 GLY H 5.300 . 6.000 4.764 3.884 5.920 . 0 0 "[ . 1 . 2]" 1 696 1 26 LYS HA 1 44 ASN HD22 3.600 . 5.300 4.066 2.510 4.949 . 0 0 "[ . 1 . 2]" 1 697 1 44 ASN HD21 1 47 ALA HA 3.800 . 5.600 2.588 1.930 4.962 0.070 4 0 "[ . 1 . 2]" 1 698 1 44 ASN HD22 1 47 ALA HA 4.400 . 6.000 3.882 3.300 5.371 . 0 0 "[ . 1 . 2]" 1 699 1 44 ASN HD22 1 45 VAL H 4.200 . 6.000 4.083 3.063 4.395 . 0 0 "[ . 1 . 2]" 1 700 1 44 ASN HD21 1 45 VAL H 4.300 . 6.000 3.138 2.303 3.582 . 0 0 "[ . 1 . 2]" 1 701 1 27 ARG HG3 1 29 SER H 2.900 . 4.000 2.974 1.960 4.163 0.163 20 0 "[ . 1 . 2]" 1 702 1 8 ASP QB 1 10 ARG H 4.300 . 6.000 3.706 2.333 4.274 . 0 0 "[ . 1 . 2]" 1 703 1 10 ARG H 1 23 THR MG 4.300 . 6.000 3.519 2.595 4.443 . 0 0 "[ . 1 . 2]" 1 704 1 10 ARG H 1 11 VAL MG2 4.700 . 6.000 3.604 2.734 4.904 . 0 0 "[ . 1 . 2]" 1 705 1 6 GLN HE21 1 47 ALA HA 3.800 . 5.600 3.739 1.971 5.283 0.029 15 0 "[ . 1 . 2]" 1 706 1 10 ARG H 1 10 ARG HD3 5.000 . 6.000 5.115 4.791 5.994 . 0 0 "[ . 1 . 2]" 1 707 1 10 ARG H 1 10 ARG HD2 4.800 . 6.000 5.215 4.571 6.053 0.053 9 0 "[ . 1 . 2]" 1 708 1 10 ARG H 1 10 ARG HG3 3.800 . 5.600 3.579 2.822 4.696 . 0 0 "[ . 1 . 2]" 1 709 1 10 ARG H 1 10 ARG HG3 4.000 . 6.000 3.621 2.827 4.734 . 0 0 "[ . 1 . 2]" 1 710 1 10 ARG H 1 10 ARG HB2 3.500 . 5.000 3.731 2.942 4.038 . 0 0 "[ . 1 . 2]" 1 711 1 10 ARG H 1 10 ARG HG2 3.800 . 5.600 3.256 2.528 4.784 . 0 0 "[ . 1 . 2]" 1 712 1 10 ARG H 1 11 VAL MG1 4.500 . 6.000 4.289 3.871 4.484 . 0 0 "[ . 1 . 2]" 1 713 1 6 GLN HE21 1 46 CYS HB3 5.000 . 6.000 3.896 3.368 4.060 . 0 0 "[ . 1 . 2]" 1 714 1 4 ASN HD21 1 6 GLN HA 4.900 . 6.000 3.821 3.362 4.588 . 0 0 "[ . 1 . 2]" 1 715 1 6 GLN HA 1 6 GLN HE22 4.400 . 6.000 2.865 1.843 3.795 0.057 12 0 "[ . 1 . 2]" 1 716 1 4 ASN HA 1 4 ASN HD21 4.400 . 6.000 2.924 1.916 3.835 . 0 0 "[ . 1 . 2]" 1 717 1 4 ASN HD22 1 23 THR MG 4.400 . 6.000 4.161 2.687 5.999 . 0 0 "[ . 1 . 2]" 1 718 1 6 GLN HE21 1 47 ALA MB 3.400 . 4.900 3.004 2.209 4.752 . 0 0 "[ . 1 . 2]" 1 719 1 6 GLN HB2 1 6 GLN HE21 4.000 . 6.000 3.954 2.769 4.498 . 0 0 "[ . 1 . 2]" 1 720 1 4 ASN HB3 1 4 ASN HD21 2.500 . 3.300 2.537 2.114 3.105 . 0 0 "[ . 1 . 2]" 1 721 1 4 ASN HD21 1 23 THR MG 3.400 . 4.900 2.791 2.003 3.468 . 0 0 "[ . 1 . 2]" 1 722 1 36 SER H 1 122 PHE QD 4.000 . 6.000 4.555 3.371 5.941 . 0 0 "[ . 1 . 2]" 1 723 1 43 LEU HB2 1 59 VAL H 2.800 . 3.800 2.679 2.546 3.339 . 0 0 "[ . 1 . 2]" 1 724 1 51 SER HB3 1 52 SER H 3.000 . 4.200 2.972 2.133 3.756 . 0 0 "[ . 1 . 2]" 1 725 1 51 SER H 1 52 SER H 3.600 . 5.300 2.435 1.793 3.618 0.107 13 0 "[ . 1 . 2]" 1 726 1 57 ALA MB 1 59 VAL H 2.700 . 3.600 2.541 2.358 2.716 . 0 0 "[ . 1 . 2]" 1 727 1 57 ALA HA 1 59 VAL H 3.800 . 5.600 3.854 3.473 4.228 . 0 0 "[ . 1 . 2]" 1 728 1 77 LEU QD 1 78 THR H 3.500 . 5.100 2.708 2.185 3.910 . 0 0 "[ . 1 . 2]" 1 729 1 78 THR H 1 85 LYS QB 3.900 . 5.800 3.937 3.144 4.384 . 0 0 "[ . 1 . 2]" 1 730 1 77 LEU HB2 1 78 THR H 2.700 . 3.600 2.927 2.483 3.665 0.065 13 0 "[ . 1 . 2]" 1 731 1 77 LEU HB3 1 78 THR H 2.900 . 4.000 2.319 2.128 2.740 . 0 0 "[ . 1 . 2]" 1 732 1 33 ILE QG 1 34 THR H 3.700 . 5.400 3.683 3.263 4.002 . 0 0 "[ . 1 . 2]" 1 733 1 38 ASN H 1 38 ASN HB2 2.600 . 3.500 2.763 2.284 3.570 0.070 17 0 "[ . 1 . 2]" 1 734 1 45 VAL MG2 1 47 ALA H 3.200 . 4.500 2.855 2.337 3.958 . 0 0 "[ . 1 . 2]" 1 735 1 22 LEU MD1 1 24 SER H 5.300 . 6.000 5.241 3.598 5.653 . 0 0 "[ . 1 . 2]" 1 736 1 24 SER H 1 25 LEU HB3 5.000 . 6.000 4.924 4.417 5.849 . 0 0 "[ . 1 . 2]" 1 737 1 47 ALA H 1 47 ALA HA 2.500 . 3.300 2.859 2.766 2.917 . 0 0 "[ . 1 . 2]" 1 738 1 45 VAL HA 1 47 ALA H 3.300 . 4.700 3.678 3.197 4.372 . 0 0 "[ . 1 . 2]" 1 739 1 44 ASN HB3 1 47 ALA H 3.600 . 5.300 3.453 2.467 3.939 . 0 0 "[ . 1 . 2]" 1 740 1 45 VAL MG2 1 46 CYS H 3.700 . 5.400 2.938 2.073 3.568 . 0 0 "[ . 1 . 2]" 1 741 1 45 VAL MG1 1 46 CYS H 3.100 . 4.300 2.745 1.986 3.793 . 0 0 "[ . 1 . 2]" 1 742 1 59 VAL MG2 1 74 SER H 4.300 . 6.000 4.070 3.855 4.365 . 0 0 "[ . 1 . 2]" 1 743 1 45 VAL MG2 1 74 SER H 3.100 . 4.300 2.427 1.934 3.129 . 0 0 "[ . 1 . 2]" 1 744 1 47 ALA HA 1 48 GLU H 4.500 . 6.000 2.334 2.074 2.926 . 0 0 "[ . 1 . 2]" 1 745 1 23 THR H 1 26 LYS QG 4.700 . 6.000 3.843 3.476 4.582 . 0 0 "[ . 1 . 2]" 1 746 1 22 LEU QB 1 23 THR H 4.200 . 6.000 3.559 2.926 3.707 . 0 0 "[ . 1 . 2]" 1 747 1 26 LYS HB3 1 48 GLU H 3.200 . 6.000 6.387 5.820 6.993 0.993 13 9 "[* *. *** *+-. *]" 1 748 1 48 GLU H 1 73 LEU HB2 4.900 . 6.000 4.527 3.794 5.292 . 0 0 "[ . 1 . 2]" 1 749 1 22 LEU MD1 1 23 THR H 5.200 . 6.000 5.110 4.395 5.474 . 0 0 "[ . 1 . 2]" 1 750 1 126 ASP QB 1 128 GLN H 4.500 . 6.000 3.450 2.160 4.037 . 0 0 "[ . 1 . 2]" 1 751 1 127 GLU QG 1 128 GLN H 2.800 . 3.800 2.960 2.349 3.882 0.082 15 0 "[ . 1 . 2]" 1 752 1 130 CYS H 1 131 THR H 3.300 . 4.600 2.879 2.501 3.415 . 0 0 "[ . 1 . 2]" 1 753 1 73 LEU H 1 73 LEU QD 4.800 . 6.000 3.610 3.557 3.695 . 0 0 "[ . 1 . 2]" 1 754 1 59 VAL MG2 1 73 LEU H 2.600 . 3.500 2.593 2.351 2.762 . 0 0 "[ . 1 . 2]" 1 755 1 45 VAL MG2 1 73 LEU H 4.700 . 6.000 3.698 3.630 3.764 . 0 0 "[ . 1 . 2]" 1 756 1 139 SER HA 1 142 CYS H 3.000 . 4.200 3.251 2.863 3.486 . 0 0 "[ . 1 . 2]" 1 757 1 140 LEU HA 1 142 CYS H 3.500 . 5.100 4.327 3.397 5.115 0.015 4 0 "[ . 1 . 2]" 1 758 1 139 SER HA 1 141 ALA H 2.800 . 3.800 2.750 2.682 2.826 . 0 0 "[ . 1 . 2]" 1 759 1 110 CYS HB3 1 142 CYS H 2.900 . 3.900 2.451 1.495 3.794 0.405 4 0 "[ . 1 . 2]" 1 760 1 43 LEU HB2 1 44 ASN H 2.800 . 3.800 2.996 2.164 3.815 0.015 6 0 "[ . 1 . 2]" 1 761 1 43 LEU HB3 1 44 ASN H 3.100 . 4.300 3.401 2.385 3.968 . 0 0 "[ . 1 . 2]" 1 762 1 44 ASN H 1 59 VAL MG2 4.200 . 6.000 3.952 3.262 4.841 . 0 0 "[ . 1 . 2]" 1 763 1 43 LEU QD 1 44 ASN H 3.900 . 5.800 3.492 2.870 3.966 . 0 0 "[ . 1 . 2]" 1 764 1 100 MET ME 1 129 THR H 4.300 . 6.000 3.654 3.343 3.847 . 0 0 "[ . 1 . 2]" 1 765 1 98 LEU HB3 1 99 LYS H 3.800 . 5.000 2.648 2.117 3.284 . 0 0 "[ . 1 . 2]" 1 766 1 99 LYS H 1 100 MET HG3 3.800 . 5.600 4.378 3.142 5.632 0.032 9 0 "[ . 1 . 2]" 1 767 1 13 ASN HB3 1 15 ALA H 4.200 . 6.000 3.784 3.713 3.876 . 0 0 "[ . 1 . 2]" 1 768 1 13 ASN HB2 1 13 ASN QD 4.100 . 6.000 2.479 1.776 2.895 0.224 15 0 "[ . 1 . 2]" 1 769 1 3 SER H 1 3 SER HA 3.000 . 4.100 2.729 2.080 2.921 . 0 0 "[ . 1 . 2]" 1 770 1 75 LYS QB 1 76 THR H 4.500 . 6.000 3.821 3.100 4.007 . 0 0 "[ . 1 . 2]" 1 771 1 75 LYS QG 1 76 THR H 3.200 . 4.500 2.887 1.994 3.680 . 0 0 "[ . 1 . 2]" 1 772 1 94 CYS H 1 97 ASP H 2.900 . 3.900 2.965 2.421 3.589 . 0 0 "[ . 1 . 2]" 1 773 1 97 ASP H 1 97 ASP HA 2.800 . 3.700 2.906 2.817 2.977 . 0 0 "[ . 1 . 2]" 1 774 1 39 ARG H 1 39 ARG QB 3.000 . 3.300 2.695 2.164 3.296 . 0 0 "[ . 1 . 2]" 1 775 1 39 ARG H 1 39 ARG QG 3.600 . 5.300 2.379 1.897 3.797 0.003 3 0 "[ . 1 . 2]" 1 776 1 38 ASN HB3 1 39 ARG H 3.500 . 5.000 2.621 1.977 3.883 0.023 13 0 "[ . 1 . 2]" 1 777 1 105 TYR QD 1 134 PHE H 2.800 . 6.000 4.136 3.692 4.376 . 0 0 "[ . 1 . 2]" 1 778 1 105 TYR HB3 1 134 PHE H 4.300 . 6.000 3.895 3.433 4.077 . 0 0 "[ . 1 . 2]" 1 779 1 112 SER HB3 1 113 ASP H 3.600 . 5.200 3.800 2.823 4.408 . 0 0 "[ . 1 . 2]" 1 780 1 111 LYS QE 1 113 ASP H 3.400 . 4.900 2.787 2.327 3.539 . 0 0 "[ . 1 . 2]" 1 781 1 69 ASN HB3 1 92 ASP H 3.800 2.300 5.800 3.234 2.346 5.277 . 0 0 "[ . 1 . 2]" 1 782 1 22 LEU MD1 1 25 LEU H 4.100 . 6.000 3.895 2.799 4.227 . 0 0 "[ . 1 . 2]" 1 783 1 22 LEU HA 1 25 LEU H 2.800 . 3.800 2.745 2.652 2.822 . 0 0 "[ . 1 . 2]" 1 784 1 24 SER HA 1 25 LEU H 3.200 . 4.500 3.376 3.245 3.600 . 0 0 "[ . 1 . 2]" 1 785 1 25 LEU H 1 26 LYS HB2 4.900 . 6.000 5.126 4.191 5.795 . 0 0 "[ . 1 . 2]" 1 786 1 116 ASP HB3 1 117 ASP H 2.500 . 3.300 2.399 2.062 3.025 . 0 0 "[ . 1 . 2]" 1 787 1 114 ALA HA 1 117 ASP H 4.100 . 6.000 4.760 3.129 5.920 . 0 0 "[ . 1 . 2]" 1 788 1 22 LEU HG 1 138 THR H 4.700 . 6.000 3.587 3.325 3.758 . 0 0 "[ . 1 . 2]" 1 789 1 108 PHE HA 1 138 THR H 2.200 . 2.800 2.136 2.059 2.228 . 0 0 "[ . 1 . 2]" 1 790 1 109 VAL HA 1 138 THR H 3.800 . 5.600 3.284 3.153 3.437 . 0 0 "[ . 1 . 2]" 1 791 1 108 PHE HB3 1 138 THR H 4.300 . 6.000 4.018 3.633 4.196 . 0 0 "[ . 1 . 2]" 1 792 1 41 ILE MD 1 43 LEU H 3.600 . 5.200 2.399 1.992 3.469 0.008 11 0 "[ . 1 . 2]" 1 793 1 43 LEU H 1 57 ALA MB 4.700 . 6.000 5.379 4.492 5.856 . 0 0 "[ . 1 . 2]" 1 794 1 11 VAL H 1 21 ASP HA 5.000 . 6.000 3.810 3.473 4.144 . 0 0 "[ . 1 . 2]" 1 795 1 7 ASN H 1 7 ASN HB3 3.100 . 4.300 3.325 2.472 4.195 . 0 0 "[ . 1 . 2]" 1 796 1 7 ASN H 1 8 ASP QB 4.600 . 6.000 5.049 4.274 5.922 . 0 0 "[ . 1 . 2]" 1 797 1 25 LEU MD1 1 31 TYR H 4.600 . 6.000 3.475 2.794 4.758 . 0 0 "[ . 1 . 2]" 1 798 1 49 ALA MB 1 53 CYS H 3.800 . 5.600 3.372 2.553 3.995 . 0 0 "[ . 1 . 2]" 1 799 1 50 LYS QG 1 51 SER H 3.800 . 5.600 4.308 3.358 4.943 . 0 0 "[ . 1 . 2]" 1 800 1 11 VAL MG1 1 12 THR H 3.200 . 4.500 3.288 2.984 3.585 . 0 0 "[ . 1 . 2]" 1 801 1 16 THR HB 1 18 HIS H 2.600 . 3.500 2.171 2.013 2.555 . 0 0 "[ . 1 . 2]" 1 802 1 10 ARG HG2 1 11 VAL H 3.500 . 4.900 3.872 3.167 4.635 . 0 0 "[ . 1 . 2]" 1 803 1 10 ARG HD2 1 11 VAL H 3.500 . 5.400 4.166 3.807 4.579 . 0 0 "[ . 1 . 2]" 1 804 1 37 HIS H 1 37 HIS HB2 3.000 . 4.200 3.225 2.379 4.179 . 0 0 "[ . 1 . 2]" 1 805 1 6 GLN HB2 1 8 ASP H 3.800 . 5.600 3.600 3.037 4.439 . 0 0 "[ . 1 . 2]" 1 806 1 25 LEU HB3 1 45 VAL H 3.700 . 5.600 4.972 3.543 5.648 0.048 4 0 "[ . 1 . 2]" 1 807 1 26 LYS HB3 1 45 VAL H 4.000 . 6.000 5.022 3.613 6.049 0.049 7 0 "[ . 1 . 2]" 1 808 1 25 LEU HB2 1 45 VAL H 4.400 . 6.000 4.285 3.559 4.621 . 0 0 "[ . 1 . 2]" 1 809 1 81 ASP HB3 1 83 VAL H 4.000 . 5.500 3.502 2.824 4.289 . 0 0 "[ . 1 . 2]" 1 810 1 79 TYR QB 1 83 VAL H 3.600 . 5.200 3.381 2.795 3.809 . 0 0 "[ . 1 . 2]" 1 811 1 11 VAL MG1 1 13 ASN H 4.500 . 6.000 3.955 3.580 4.327 . 0 0 "[ . 1 . 2]" 1 812 1 146 VAL HB 1 148 ARG H 3.700 . 5.400 3.259 2.364 4.565 . 0 0 "[ . 1 . 2]" 1 813 1 13 ASN H 1 20 PHE QE 3.700 . 5.400 4.132 3.196 4.575 . 0 0 "[ . 1 . 2]" 1 814 1 80 GLU HB2 1 83 VAL H 5.200 . 6.000 5.319 4.369 5.838 . 0 0 "[ . 1 . 2]" 1 815 1 109 VAL H 1 109 VAL HB 2.900 . 4.000 2.908 2.763 3.082 . 0 0 "[ . 1 . 2]" 1 816 1 116 ASP H 1 116 ASP HB3 3.000 . 4.100 2.711 2.298 3.560 . 0 0 "[ . 1 . 2]" 1 817 1 11 VAL MG1 1 21 ASP H 4.400 . 6.000 3.835 2.992 4.520 . 0 0 "[ . 1 . 2]" 1 818 1 4 ASN HB2 1 26 LYS H 4.300 . 6.000 4.131 3.510 4.979 . 0 0 "[ . 1 . 2]" 1 819 1 24 SER H 1 26 LYS H 3.600 . 5.200 3.600 3.336 4.009 . 0 0 "[ . 1 . 2]" 1 820 1 26 LYS H 1 26 LYS QG 2.000 . 2.500 2.124 1.842 2.391 . 0 0 "[ . 1 . 2]" 1 821 1 26 LYS H 1 26 LYS HB2 2.000 . 2.500 2.268 2.086 2.395 . 0 0 "[ . 1 . 2]" 1 822 1 26 LYS H 1 26 LYS QD 3.900 . 5.800 3.699 3.296 3.992 . 0 0 "[ . 1 . 2]" 1 823 1 25 LEU HB3 1 26 LYS H 2.400 . 3.100 3.028 2.589 3.207 0.107 6 0 "[ . 1 . 2]" 1 824 1 23 THR MG 1 26 LYS H 3.400 . 4.900 3.265 2.213 3.864 . 0 0 "[ . 1 . 2]" 1 825 1 25 LEU MD1 1 26 LYS H 4.400 . 6.000 3.995 3.270 4.395 . 0 0 "[ . 1 . 2]" 1 826 1 33 ILE HB 1 35 ASP H 3.000 . 4.200 2.269 2.011 2.421 . 0 0 "[ . 1 . 2]" 1 827 1 35 ASP H 1 38 ASN HA 4.000 . 5.000 4.636 2.998 5.077 0.077 3 0 "[ . 1 . 2]" 1 828 1 73 LEU QD 1 75 LYS H 3.500 . 5.000 2.862 2.461 3.624 . 0 0 "[ . 1 . 2]" 1 829 1 33 ILE H 1 33 ILE QG 2.900 . 3.900 2.248 2.077 2.425 . 0 0 "[ . 1 . 2]" 1 830 1 105 TYR HB3 1 133 TYR H 3.100 . 4.300 2.589 2.491 2.725 . 0 0 "[ . 1 . 2]" 1 831 1 75 LYS H 1 75 LYS QG 2.700 . 3.600 2.949 1.850 3.794 0.194 11 0 "[ . 1 . 2]" 1 832 1 111 LYS HA 1 114 ALA H 4.900 . 6.000 4.387 3.828 4.913 . 0 0 "[ . 1 . 2]" 1 833 1 143 GLU QB 1 145 GLU H 3.500 . 6.000 5.045 3.492 6.252 0.252 5 0 "[ . 1 . 2]" 1 834 1 39 ARG QG 1 40 LYS H 3.600 . 5.200 2.821 2.049 3.706 . 0 0 "[ . 1 . 2]" 1 835 1 40 LYS H 1 62 THR HB 3.300 . 4.600 3.706 2.837 4.550 . 0 0 "[ . 1 . 2]" 1 836 1 6 GLN H 1 26 LYS HB2 4.600 . 6.000 5.291 3.845 6.728 0.728 20 2 "[ . - . +]" 1 837 1 111 LYS QG 1 112 SER H 3.400 . 4.900 2.966 2.132 3.585 . 0 0 "[ . 1 . 2]" 1 838 1 25 LEU MD1 1 106 PHE H 4.900 . 6.000 5.672 4.977 6.047 0.047 17 0 "[ . 1 . 2]" 1 839 1 85 LYS HB3 1 106 PHE H 4.000 . 6.000 3.821 3.360 4.334 . 0 0 "[ . 1 . 2]" 1 840 1 109 VAL HB 1 110 CYS H 3.000 . 4.100 2.968 2.327 3.500 . 0 0 "[ . 1 . 2]" 1 841 1 143 GLU H 1 144 GLU QG 5.100 . 6.000 5.477 3.311 6.079 0.079 13 0 "[ . 1 . 2]" 1 842 1 143 GLU H 1 143 GLU HG2 3.300 . 4.700 4.237 2.514 4.908 0.208 9 0 "[ . 1 . 2]" 1 843 1 6 GLN H 1 6 GLN HB2 2.200 . 2.800 2.584 2.265 3.679 0.879 4 2 "[ +. 1 - . 2]" 1 844 1 5 VAL HB 1 6 GLN H 2.900 . 4.000 3.295 2.561 3.567 . 0 0 "[ . 1 . 2]" 1 845 1 48 GLU H 1 49 ALA H 3.800 . 5.800 3.931 3.603 4.099 . 0 0 "[ . 1 . 2]" 1 846 1 26 LYS H 1 27 ARG H 3.700 . 5.400 3.925 3.512 4.155 . 0 0 "[ . 1 . 2]" 1 847 1 11 VAL MG2 1 79 TYR H 3.300 . 4.400 3.573 2.472 4.406 0.006 9 0 "[ . 1 . 2]" 1 848 1 26 LYS HB2 1 27 ARG H 3.100 . 4.300 2.928 2.141 3.285 . 0 0 "[ . 1 . 2]" 1 849 1 25 LEU HB3 1 27 ARG H 3.000 . 4.200 3.356 3.037 4.123 . 0 0 "[ . 1 . 2]" 1 850 1 26 LYS QG 1 27 ARG H 2.700 . 3.600 2.366 1.873 2.688 . 0 0 "[ . 1 . 2]" 1 851 1 26 LYS HB3 1 27 ARG H 3.400 . 4.800 3.346 2.870 3.681 . 0 0 "[ . 1 . 2]" 1 852 1 81 ASP H 1 81 ASP HB2 3.200 . 4.500 3.441 3.026 4.015 . 0 0 "[ . 1 . 2]" 1 853 1 59 VAL HB 1 72 LYS H 4.500 . 6.000 5.533 5.067 6.212 0.212 14 0 "[ . 1 . 2]" 1 854 1 70 ALA HA 1 72 LYS H 2.600 . 3.500 2.883 2.846 2.941 . 0 0 "[ . 1 . 2]" 1 855 1 22 LEU H 1 22 LEU QB 2.600 . 3.400 2.420 2.328 2.509 . 0 0 "[ . 1 . 2]" 1 856 1 83 VAL QG 1 108 PHE H 3.100 . 4.300 2.880 2.586 3.177 . 0 0 "[ . 1 . 2]" 1 857 1 108 PHE H 1 108 PHE HB2 3.100 . 4.300 2.484 2.373 2.674 . 0 0 "[ . 1 . 2]" 1 858 1 84 LEU HB2 1 108 PHE H 4.300 . 6.000 3.867 3.579 4.130 . 0 0 "[ . 1 . 2]" 1 859 1 9 CYS H 1 75 LYS QG 3.600 . 5.200 3.003 2.299 3.803 . 0 0 "[ . 1 . 2]" 1 860 1 9 CYS H 1 10 ARG HG3 3.700 . 5.400 3.967 3.057 4.863 . 0 0 "[ . 1 . 2]" 1 861 1 86 LEU MD1 1 87 VAL H 3.400 . 4.800 2.619 1.728 3.115 0.272 6 0 "[ . 1 . 2]" 1 862 1 85 LYS QG 1 86 LEU H 3.300 . 4.700 2.913 2.349 3.155 . 0 0 "[ . 1 . 2]" 1 863 1 45 VAL MG2 1 86 LEU H 4.400 . 6.000 4.234 2.865 4.670 . 0 0 "[ . 1 . 2]" 1 864 1 86 LEU H 1 86 LEU MD1 4.100 . 6.000 3.578 2.818 3.850 . 0 0 "[ . 1 . 2]" 1 865 1 85 LYS HB3 1 87 VAL H 4.100 . 6.000 3.739 2.802 4.048 . 0 0 "[ . 1 . 2]" 1 866 1 85 LYS QB 1 86 LEU H 2.600 . 3.400 2.503 2.245 3.013 . 0 0 "[ . 1 . 2]" 1 867 1 72 LYS H 1 90 ASP HB2 4.300 . 6.000 3.541 2.900 3.788 . 0 0 "[ . 1 . 2]" 1 868 1 72 LYS H 1 72 LYS QE 2.600 . 3.500 2.637 2.456 2.775 . 0 0 "[ . 1 . 2]" 1 869 1 86 LEU H 1 105 TYR QE 3.900 . 5.800 3.529 2.894 3.944 . 0 0 "[ . 1 . 2]" 1 870 1 127 GLU H 1 127 GLU HA 2.900 . 4.000 2.870 2.806 2.910 . 0 0 "[ . 1 . 2]" 1 871 1 104 SER HB3 1 105 TYR H 3.700 . 5.400 2.783 2.621 2.877 . 0 0 "[ . 1 . 2]" 1 872 1 61 ILE HA 1 62 THR H 2.700 . 3.600 2.129 2.065 2.173 . 0 0 "[ . 1 . 2]" 1 873 1 19 LEU HB2 1 20 PHE H 4.100 . 6.000 4.238 3.996 4.402 . 0 0 "[ . 1 . 2]" 1 874 1 12 THR MG 1 20 PHE H 3.000 . 6.000 4.310 3.893 4.794 . 0 0 "[ . 1 . 2]" 1 875 1 11 VAL MG1 1 20 PHE H 3.000 . 4.000 2.451 2.188 2.773 . 0 0 "[ . 1 . 2]" 1 876 1 41 ILE HB 1 42 GLU H 3.400 . 4.900 2.432 2.266 2.699 . 0 0 "[ . 1 . 2]" 1 877 1 63 ASP H 1 63 ASP HA 3.000 . 4.100 2.719 2.476 2.842 . 0 0 "[ . 1 . 2]" 1 878 1 63 ASP H 1 66 LYS HA 4.700 . 6.000 4.779 4.622 5.016 . 0 0 "[ . 1 . 2]" 1 879 1 63 ASP H 1 66 LYS QB 3.400 . 4.800 3.434 2.597 4.214 . 0 0 "[ . 1 . 2]" 1 880 1 39 ARG QB 1 41 ILE H 4.500 . 6.000 2.605 2.466 2.721 . 0 0 "[ . 1 . 2]" 1 881 1 33 ILE QG 1 41 ILE H 2.700 . 3.600 2.500 2.221 2.969 . 0 0 "[ . 1 . 2]" 1 882 1 34 THR MG 1 41 ILE H 3.400 . 4.800 4.432 3.828 4.733 . 0 0 "[ . 1 . 2]" 1 883 1 33 ILE MG 1 41 ILE H 3.500 . 6.000 5.223 4.888 5.912 . 0 0 "[ . 1 . 2]" 1 884 1 33 ILE MD 1 41 ILE H 3.800 . 5.700 3.140 2.852 3.496 . 0 0 "[ . 1 . 2]" 1 885 1 41 ILE H 1 41 ILE MD 4.400 . 6.000 3.431 3.241 3.600 . 0 0 "[ . 1 . 2]" 1 886 1 32 THR HA 1 41 ILE H 3.500 . 5.000 2.801 1.994 3.264 0.006 16 0 "[ . 1 . 2]" 1 887 1 38 ASN HD22 1 63 ASP H 3.800 . 5.600 3.912 3.523 4.301 . 0 0 "[ . 1 . 2]" 1 888 1 79 TYR QD 1 80 GLU H 3.500 . 5.000 3.519 3.251 3.895 . 0 0 "[ . 1 . 2]" 1 889 1 80 GLU H 1 84 LEU HB2 4.000 . 5.600 2.935 2.098 4.918 . 0 0 "[ . 1 . 2]" 1 890 1 57 ALA MB 1 68 LEU H 3.100 . 6.000 4.165 3.507 4.761 . 0 0 "[ . 1 . 2]" 1 891 1 25 LEU MD1 1 136 TRP H 3.800 . 5.600 5.058 4.732 5.881 0.281 8 0 "[ . 1 . 2]" 1 892 1 41 ILE MD 1 126 ASP H 3.800 . 5.600 3.307 2.774 3.796 . 0 0 "[ . 1 . 2]" 1 893 1 122 PHE QD 1 123 LEU H 3.500 . 5.000 3.276 2.458 3.891 . 0 0 "[ . 1 . 2]" 1 894 1 11 VAL MG2 1 77 LEU H 2.800 . 3.400 2.764 2.273 3.261 . 0 0 "[ . 1 . 2]" 1 895 1 109 VAL HB 1 111 LYS H 3.700 . 5.400 4.250 3.311 4.995 . 0 0 "[ . 1 . 2]" 1 896 1 59 VAL HA 1 70 ALA H 3.700 . 5.400 2.890 2.808 2.918 . 0 0 "[ . 1 . 2]" 1 897 1 108 PHE HA 1 111 LYS H 4.500 . 6.000 4.207 3.573 4.818 . 0 0 "[ . 1 . 2]" 1 898 1 97 ASP QB 1 130 CYS H 4.700 . 6.000 3.703 3.094 3.944 . 0 0 "[ . 1 . 2]" 1 899 1 11 VAL H 1 13 ASN H 5.500 . 6.000 5.097 4.703 5.461 . 0 0 "[ . 1 . 2]" 1 900 1 41 ILE MD 1 42 GLU H 4.500 . 6.000 3.985 3.075 4.754 . 0 0 "[ . 1 . 2]" 1 901 1 61 ILE H 1 68 LEU HB2 4.400 . 6.000 3.560 2.972 4.020 . 0 0 "[ . 1 . 2]" 1 902 1 61 ILE H 1 61 ILE HG12 2.800 . 3.800 2.214 2.021 2.445 . 0 0 "[ . 1 . 2]" 1 903 1 57 ALA MB 1 61 ILE H 5.600 . 6.000 4.819 4.151 5.207 . 0 0 "[ . 1 . 2]" 1 904 1 61 ILE H 1 67 THR MG 3.900 . 5.800 3.643 2.983 4.203 . 0 0 "[ . 1 . 2]" 1 905 1 80 GLU HB2 1 85 LYS H 4.000 . 5.800 3.949 3.776 4.185 . 0 0 "[ . 1 . 2]" 1 906 1 78 THR MG 1 85 LYS H 3.600 . 5.200 3.727 3.391 4.564 . 0 0 "[ . 1 . 2]" 1 907 1 83 VAL QG 1 85 LYS H 4.000 . 6.000 4.415 3.631 4.895 . 0 0 "[ . 1 . 2]" 1 908 1 45 VAL MG1 1 85 LYS H 3.500 . 5.100 4.041 3.304 5.295 0.195 2 0 "[ . 1 . 2]" 1 909 1 84 LEU HB2 1 85 LYS H 3.000 . 4.100 2.968 2.526 3.628 . 0 0 "[ . 1 . 2]" 1 910 1 77 LEU HB2 1 85 LYS H 3.400 . 4.800 3.029 2.796 3.385 . 0 0 "[ . 1 . 2]" 1 911 1 105 TYR HB2 1 106 PHE H 3.300 . 4.700 2.475 2.354 2.639 . 0 0 "[ . 1 . 2]" 1 912 1 106 PHE QD 1 107 SER H 4.600 . 6.000 3.464 2.076 4.370 . 0 0 "[ . 1 . 2]" 1 913 1 111 LYS H 1 111 LYS QE 5.700 . 6.000 4.962 3.326 5.357 . 0 0 "[ . 1 . 2]" 1 914 1 33 ILE MD 1 119 GLN H 4.500 . 6.000 4.793 4.113 5.411 . 0 0 "[ . 1 . 2]" 1 915 1 41 ILE MD 1 122 PHE H 4.400 . 6.000 4.866 4.294 5.709 . 0 0 "[ . 1 . 2]" 1 916 1 41 ILE MG 1 123 LEU H 4.100 . 6.000 4.219 3.795 4.561 . 0 0 "[ . 1 . 2]" 1 917 1 22 LEU HG 1 136 TRP H 4.000 . 6.000 3.283 2.761 3.745 . 0 0 "[ . 1 . 2]" 1 918 1 128 GLN QG 1 129 THR H 4.100 . 6.000 3.409 2.385 3.805 . 0 0 "[ . 1 . 2]" 1 919 1 25 LEU H 1 25 LEU MD1 3.700 . 5.400 3.179 2.269 3.948 . 0 0 "[ . 1 . 2]" 1 920 1 110 CYS H 1 141 ALA H 4.700 . 6.000 4.195 4.010 4.397 . 0 0 "[ . 1 . 2]" 1 921 1 110 CYS HB3 1 141 ALA H 4.900 . 6.000 4.150 3.131 5.750 . 0 0 "[ . 1 . 2]" 1 922 1 16 THR HA 1 143 GLU H 3.300 . 6.000 5.531 4.164 6.069 0.069 19 0 "[ . 1 . 2]" 1 923 1 9 CYS H 1 45 VAL MG1 5.500 . 6.000 4.495 2.629 5.156 . 0 0 "[ . 1 . 2]" 1 924 1 5 VAL H 1 6 GLN HA 4.400 . 6.000 4.970 4.526 5.511 . 0 0 "[ . 1 . 2]" 1 925 1 6 GLN HE21 1 7 ASN H 4.600 . 6.000 4.459 3.221 5.095 . 0 0 "[ . 1 . 2]" 1 926 1 6 GLN QB 1 8 ASP H 3.500 . 5.100 3.272 2.602 4.417 . 0 0 "[ . 1 . 2]" 1 927 1 10 ARG HE 1 12 THR H 5.500 . 6.000 4.906 4.280 5.391 . 0 0 "[ . 1 . 2]" 1 928 1 13 ASN QD 1 16 THR H 3.800 . 5.100 2.329 1.836 2.755 0.164 8 0 "[ . 1 . 2]" 1 929 1 13 ASN HB3 1 16 THR H 3.300 . 6.000 3.334 2.955 4.457 . 0 0 "[ . 1 . 2]" 1 930 1 11 VAL HA 1 20 PHE H 4.600 . 6.000 4.740 4.633 4.897 . 0 0 "[ . 1 . 2]" 1 931 1 23 THR H 1 25 LEU H 4.500 . 6.000 3.917 3.443 4.288 . 0 0 "[ . 1 . 2]" 1 932 1 23 THR H 1 45 VAL MG1 4.000 . 6.000 5.015 4.369 5.669 . 0 0 "[ . 1 . 2]" 1 933 1 23 THR H 1 25 LEU HB3 5.100 . 6.000 4.804 3.534 5.802 . 0 0 "[ . 1 . 2]" 1 934 1 25 LEU H 1 45 VAL MG1 4.300 . 6.000 4.855 3.708 6.136 0.136 18 0 "[ . 1 . 2]" 1 935 1 23 THR HA 1 25 LEU H 3.700 . 5.400 3.846 3.492 4.396 . 0 0 "[ . 1 . 2]" 1 936 1 26 LYS H 1 45 VAL MG1 4.700 . 6.000 4.205 2.690 5.519 . 0 0 "[ . 1 . 2]" 1 937 1 8 ASP H 1 26 LYS H 4.300 . 6.000 4.407 4.187 4.580 . 0 0 "[ . 1 . 2]" 1 938 1 26 LYS H 1 46 CYS HB3 5.200 . 6.000 4.010 3.392 5.488 . 0 0 "[ . 1 . 2]" 1 939 1 27 ARG H 1 28 GLU H 5.600 . 6.000 4.231 3.961 4.322 . 0 0 "[ . 1 . 2]" 1 940 1 27 ARG H 1 45 VAL H 4.300 . 6.000 4.393 3.527 5.552 . 0 0 "[ . 1 . 2]" 1 941 1 4 ASN HB3 1 27 ARG H 5.300 . 6.000 4.288 3.781 4.828 . 0 0 "[ . 1 . 2]" 1 942 1 25 LEU MD1 1 27 ARG H 5.000 . 6.000 4.865 3.402 5.553 . 0 0 "[ . 1 . 2]" 1 943 1 30 GLY H 1 31 TYR H 3.600 . 5.200 3.299 2.433 4.006 . 0 0 "[ . 1 . 2]" 1 944 1 32 THR H 1 43 LEU QD 5.400 . 6.000 4.576 3.818 5.751 . 0 0 "[ . 1 . 2]" 1 945 1 33 ILE H 1 41 ILE MD 4.900 . 6.000 3.793 3.033 4.426 . 0 0 "[ . 1 . 2]" 1 946 1 33 ILE QG 1 35 ASP H 3.700 . 5.400 3.033 2.808 3.243 . 0 0 "[ . 1 . 2]" 1 947 1 34 THR MG 1 37 HIS H 4.700 . 6.000 4.262 3.106 5.580 . 0 0 "[ . 1 . 2]" 1 948 1 38 ASN H 1 39 ARG QB 5.800 . 6.000 4.529 3.835 5.700 . 0 0 "[ . 1 . 2]" 1 949 1 42 GLU H 1 59 VAL MG2 5.200 . 6.000 5.051 4.222 5.513 . 0 0 "[ . 1 . 2]" 1 950 1 30 GLY HA3 1 43 LEU H 5.400 . 6.000 4.156 3.840 4.469 . 0 0 "[ . 1 . 2]" 1 951 1 30 GLY H 1 44 ASN H 5.000 . 6.000 4.862 3.960 5.548 . 0 0 "[ . 1 . 2]" 1 952 1 31 TYR H 1 45 VAL H 4.600 . 6.000 3.780 2.848 4.107 . 0 0 "[ . 1 . 2]" 1 953 1 45 VAL MG1 1 47 ALA H 4.700 . 6.000 4.249 3.681 5.104 . 0 0 "[ . 1 . 2]" 1 954 1 47 ALA H 1 73 LEU HB2 5.000 . 6.000 5.131 4.385 5.829 . 0 0 "[ . 1 . 2]" 1 955 1 49 ALA H 1 57 ALA MB 4.300 . 6.000 3.543 3.149 4.109 . 0 0 "[ . 1 . 2]" 1 956 1 51 SER HB2 1 53 CYS H 4.000 . 6.000 4.201 2.546 5.203 . 0 0 "[ . 1 . 2]" 1 957 1 62 THR H 1 64 GLY H 4.000 . 6.000 5.974 5.801 6.064 0.064 9 0 "[ . 1 . 2]" 1 958 1 63 ASP H 1 68 LEU H 4.400 . 6.000 3.453 3.010 3.916 . 0 0 "[ . 1 . 2]" 1 959 1 68 LEU HB2 1 69 ASN H 4.500 . 6.000 4.159 3.996 4.289 . 0 0 "[ . 1 . 2]" 1 960 1 57 ALA MB 1 70 ALA H 4.400 . 6.000 4.226 3.566 4.620 . 0 0 "[ . 1 . 2]" 1 961 1 60 CYS HB3 1 71 GLY H 3.600 . 4.900 4.167 2.890 4.954 0.054 9 0 "[ . 1 . 2]" 1 962 1 72 LYS H 1 73 LEU HA 3.300 . 4.700 3.724 3.144 4.122 . 0 0 "[ . 1 . 2]" 1 963 1 78 THR MG 1 84 LEU H 3.900 . 5.800 3.445 3.153 3.956 . 0 0 "[ . 1 . 2]" 1 964 1 86 LEU H 1 105 TYR HB2 4.400 . 6.000 3.612 2.719 4.708 . 0 0 "[ . 1 . 2]" 1 965 1 26 LYS HA 1 45 VAL H 3.800 . 4.200 3.636 2.912 4.160 . 0 0 "[ . 1 . 2]" 1 966 1 105 TYR QD 1 106 PHE H 4.100 . 6.000 4.296 3.921 4.686 . 0 0 "[ . 1 . 2]" 1 967 1 85 LYS QG 1 106 PHE H 4.800 . 6.000 4.619 3.340 5.423 . 0 0 "[ . 1 . 2]" 1 968 1 45 VAL MG2 1 107 SER H 5.300 . 6.000 4.603 4.060 5.314 . 0 0 "[ . 1 . 2]" 1 969 1 109 VAL H 1 110 CYS H 3.200 . 4.500 2.537 1.862 3.305 0.038 20 0 "[ . 1 . 2]" 1 970 1 111 LYS H 1 137 HIS HB3 5.100 . 6.000 4.190 3.631 4.905 . 0 0 "[ . 1 . 2]" 1 971 1 110 CYS H 1 141 ALA H 5.400 . 6.000 5.358 4.826 5.931 . 0 0 "[ . 1 . 2]" 1 972 1 108 PHE HB3 1 110 CYS H 5.500 . 6.000 4.157 2.655 4.817 . 0 0 "[ . 1 . 2]" 1 973 1 115 GLY H 1 116 ASP HB3 5.400 . 6.000 5.371 4.298 6.335 0.335 1 0 "[ . 1 . 2]" 1 974 1 114 ALA MB 1 119 GLN H 4.400 . 6.000 3.375 2.122 5.710 . 0 0 "[ . 1 . 2]" 1 975 1 57 ALA HA 1 72 LYS H 3.300 . 4.300 2.146 2.060 2.312 . 0 0 "[ . 1 . 2]" 1 976 1 104 SER HB2 1 132 SER H 4.500 . 6.000 3.718 3.384 4.093 . 0 0 "[ . 1 . 2]" 1 977 1 105 TYR HB2 1 134 PHE H 4.600 . 6.000 3.814 3.147 4.569 . 0 0 "[ . 1 . 2]" 1 978 1 27 ARG HD3 1 136 TRP HE1 3.200 . 6.000 6.020 5.557 6.999 0.999 2 1 "[ + . 1 . 2]" 1 979 1 22 LEU HB3 1 136 TRP HE1 4.700 . 6.000 5.600 5.007 6.036 0.036 10 0 "[ . 1 . 2]" 1 980 1 6 GLN HB2 1 9 CYS H 4.700 . 6.000 3.761 3.071 4.161 . 0 0 "[ . 1 . 2]" 1 981 1 9 CYS H 1 47 ALA MB 4.400 . 6.000 3.583 3.046 3.796 . 0 0 "[ . 1 . 2]" 1 982 1 9 CYS H 1 75 LYS QG 3.800 . 5.600 2.963 2.293 3.741 . 0 0 "[ . 1 . 2]" 1 983 1 12 THR H 1 14 PRO HA 4.800 . 6.000 4.633 4.301 5.116 . 0 0 "[ . 1 . 2]" 1 984 1 30 GLY H 1 45 VAL H 5.500 . 6.000 4.933 4.226 5.943 . 0 0 "[ . 1 . 2]" 1 985 1 33 ILE H 1 40 LYS QB 5.500 . 6.000 4.409 3.545 5.693 . 0 0 "[ . 1 . 2]" 1 986 1 38 ASN H 1 39 ARG QG 5.300 . 6.000 4.028 3.171 5.790 . 0 0 "[ . 1 . 2]" 1 987 1 39 ARG HE 1 40 LYS H 4.600 . 6.000 3.830 3.486 4.153 . 0 0 "[ . 1 . 2]" 1 988 1 44 ASN H 1 59 VAL HA 3.500 . 5.000 2.355 2.107 2.781 . 0 0 "[ . 1 . 2]" 1 989 1 31 TYR QD 1 45 VAL H 3.700 . 5.500 3.522 2.554 4.181 . 0 0 "[ . 1 . 2]" 1 990 1 26 LYS H 1 45 VAL H 4.400 . 6.000 4.536 2.303 5.037 . 0 0 "[ . 1 . 2]" 1 991 1 45 VAL H 1 49 ALA HA 2.700 . 3.600 2.240 2.143 2.415 . 0 0 "[ . 1 . 2]" 1 992 1 110 CYS H 1 145 GLU H 2.800 . 6.000 5.416 4.329 6.063 0.063 11 0 "[ . 1 . 2]" 1 993 1 48 GLU HB2 1 56 GLY H 5.000 . 6.000 5.040 4.164 6.043 0.043 7 0 "[ . 1 . 2]" 1 994 1 4 ASN HB2 1 26 LYS H 4.500 . 6.000 4.074 3.561 4.770 . 0 0 "[ . 1 . 2]" 1 995 1 26 LYS H 1 26 LYS QE 5.400 . 6.000 4.009 3.365 4.495 . 0 0 "[ . 1 . 2]" 1 996 1 4 ASN HB3 1 26 LYS H 4.400 . 6.000 4.587 3.575 6.145 0.145 11 0 "[ . 1 . 2]" 1 997 1 49 ALA H 1 58 ALA H 5.600 . 6.000 4.740 4.453 5.033 . 0 0 "[ . 1 . 2]" 1 998 1 59 VAL H 1 69 ASN H 4.300 . 6.000 3.376 2.974 3.999 . 0 0 "[ . 1 . 2]" 1 999 1 60 CYS HB2 1 61 ILE H 5.700 . 6.000 4.022 2.988 4.306 . 0 0 "[ . 1 . 2]" 1 1000 1 43 LEU HB2 1 70 ALA H 3.900 . 5.800 3.399 2.686 5.474 . 0 0 "[ . 1 . 2]" 1 1001 1 79 TYR QD 1 81 ASP H 3.900 . 6.000 4.613 3.167 5.803 . 0 0 "[ . 1 . 2]" 1 1002 1 85 LYS H 1 105 TYR QE 4.800 . 6.000 4.295 3.635 5.462 . 0 0 "[ . 1 . 2]" 1 1003 1 83 VAL QG 1 86 LEU H 4.700 . 6.000 4.363 3.547 4.676 . 0 0 "[ . 1 . 2]" 1 1004 1 87 VAL H 1 105 TYR QE 5.400 . 6.000 5.197 4.204 5.916 . 0 0 "[ . 1 . 2]" 1 1005 1 44 ASN HB3 1 45 VAL H 3.500 . 5.000 2.865 2.526 3.194 . 0 0 "[ . 1 . 2]" 1 1006 1 31 TYR HA 1 45 VAL H 4.200 . 6.000 5.965 5.345 6.212 0.212 15 0 "[ . 1 . 2]" 1 1007 1 104 SER H 1 105 TYR QD 5.300 . 6.000 5.203 3.652 6.112 0.112 17 0 "[ . 1 . 2]" 1 1008 1 105 TYR H 1 122 PHE QD 4.900 . 6.000 4.550 3.892 5.729 . 0 0 "[ . 1 . 2]" 1 1009 1 83 VAL HA 1 108 PHE H 5.000 . 6.000 5.451 4.894 5.811 . 0 0 "[ . 1 . 2]" 1 1010 1 121 VAL H 1 122 PHE QD 5.800 . 6.000 4.881 3.894 5.251 . 0 0 "[ . 1 . 2]" 1 1011 1 126 ASP H 1 130 CYS H 5.300 . 6.000 4.367 4.178 4.764 . 0 0 "[ . 1 . 2]" 1 1012 1 37 HIS HB3 1 38 ASN HD22 5.600 . 6.000 4.405 3.467 4.992 . 0 0 "[ . 1 . 2]" 1 1013 1 4 ASN HA 1 6 GLN HE22 5.100 . 6.000 5.840 4.934 6.260 0.260 2 0 "[ . 1 . 2]" 1 1014 1 22 LEU HB2 1 46 CYS H 4.900 . 6.000 4.048 3.065 4.571 . 0 0 "[ . 1 . 2]" 1 1015 1 6 GLN HE22 1 46 CYS HB2 5.700 . 6.000 4.155 1.437 5.204 0.163 8 0 "[ . 1 . 2]" 1 1016 1 19 LEU HB3 1 21 ASP H 4.100 . 6.000 3.548 2.545 4.244 . 0 0 "[ . 1 . 2]" 1 1017 1 6 GLN HA 1 6 GLN HE21 5.000 . 6.000 4.121 2.529 5.250 . 0 0 "[ . 1 . 2]" 1 1018 1 4 ASN HD22 1 6 GLN HA 5.800 . 6.000 5.001 4.023 6.021 0.021 20 0 "[ . 1 . 2]" 1 1019 1 6 GLN HB3 1 6 GLN HE22 4.700 . 6.000 3.220 1.992 3.848 . 0 0 "[ . 1 . 2]" 1 1020 1 6 GLN HE21 1 8 ASP H 4.300 . 6.000 4.446 2.649 5.388 . 0 0 "[ . 1 . 2]" 1 1021 1 111 LYS HA 1 138 THR H 5.100 . 6.000 4.339 3.120 4.584 . 0 0 "[ . 1 . 2]" 1 1022 1 26 LYS HB2 1 44 ASN HD21 5.700 . 6.000 4.702 3.896 5.499 . 0 0 "[ . 1 . 2]" 1 1023 1 111 LYS H 1 112 SER HA 4.700 . 6.000 4.282 3.521 5.185 . 0 0 "[ . 1 . 2]" 1 1024 1 13 ASN HA 1 13 ASN QD 4.000 . 6.000 2.999 2.244 3.720 . 0 0 "[ . 1 . 2]" 1 1025 1 5 VAL QG 1 6 GLN QG 3.800 . 6.300 4.582 4.106 5.132 . 0 0 "[ . 1 . 2]" 1 1026 1 119 GLN HA 1 119 GLN HG3 2.800 . 3.800 3.187 2.969 3.494 . 0 0 "[ . 1 . 2]" 1 1027 1 96 THR MG 1 128 GLN HA 3.000 . 4.000 3.333 1.764 4.103 0.103 3 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 1862 _Distance_constraint_stats_list.Viol_count 1192 _Distance_constraint_stats_list.Viol_total 2274.997 _Distance_constraint_stats_list.Viol_max 1.240 _Distance_constraint_stats_list.Viol_rms 0.0295 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0031 _Distance_constraint_stats_list.Viol_average_violations_only 0.0954 _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 2 LYS 0.003 0.003 6 0 "[ . 1 . 2]" 1 3 SER 0.921 0.098 11 0 "[ . 1 . 2]" 1 4 ASN 1.050 0.219 3 0 "[ . 1 . 2]" 1 5 VAL 1.065 0.219 3 0 "[ . 1 . 2]" 1 6 GLN 1.415 0.857 20 1 "[ . 1 . +]" 1 7 ASN 1.422 0.331 19 0 "[ . 1 . 2]" 1 8 ASP 0.605 0.115 16 0 "[ . 1 . 2]" 1 9 CYS 1.004 0.201 4 0 "[ . 1 . 2]" 1 10 ARG 0.263 0.092 7 0 "[ . 1 . 2]" 1 11 VAL 0.159 0.043 4 0 "[ . 1 . 2]" 1 12 THR 0.144 0.043 5 0 "[ . 1 . 2]" 1 13 ASN 1.003 0.163 11 0 "[ . 1 . 2]" 1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 ALA 0.926 0.163 11 0 "[ . 1 . 2]" 1 16 THR 0.850 0.089 2 0 "[ . 1 . 2]" 1 17 GLY 0.043 0.024 3 0 "[ . 1 . 2]" 1 18 HIS 0.002 0.002 9 0 "[ . 1 . 2]" 1 19 LEU 0.656 0.089 2 0 "[ . 1 . 2]" 1 20 PHE 3.429 0.393 20 0 "[ . 1 . 2]" 1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 LEU 0.678 0.056 11 0 "[ . 1 . 2]" 1 23 THR 0.678 0.256 10 0 "[ . 1 . 2]" 1 24 SER 1.155 0.336 8 0 "[ . 1 . 2]" 1 25 LEU 2.834 0.567 8 1 "[ . + 1 . 2]" 1 26 LYS 0.358 0.256 10 0 "[ . 1 . 2]" 1 27 ARG 0.294 0.096 20 0 "[ . 1 . 2]" 1 28 GLU 0.016 0.016 19 0 "[ . 1 . 2]" 1 29 SER 0.243 0.096 20 0 "[ . 1 . 2]" 1 30 GLY 0.039 0.022 9 0 "[ . 1 . 2]" 1 31 TYR 1.164 0.183 11 0 "[ . 1 . 2]" 1 32 THR 3.437 0.241 4 0 "[ . 1 . 2]" 1 33 ILE 5.773 0.463 5 0 "[ . 1 . 2]" 1 34 THR 0.598 0.091 8 0 "[ . 1 . 2]" 1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 HIS 0.304 0.134 16 0 "[ . 1 . 2]" 1 38 ASN 4.408 0.809 19 2 "[ - . 1 . +2]" 1 39 ARG 3.825 0.809 19 2 "[ - . 1 . +2]" 1 40 LYS 0.162 0.162 18 0 "[ . 1 . 2]" 1 41 ILE 0.066 0.041 4 0 "[ . 1 . 2]" 1 42 GLU 0.518 0.518 14 1 "[ . 1 +. 2]" 1 43 LEU 2.398 0.624 14 1 "[ . 1 +. 2]" 1 44 ASN 0.120 0.045 19 0 "[ . 1 . 2]" 1 45 VAL 3.717 0.974 16 1 "[ . 1 .+ 2]" 1 46 CYS 4.116 1.240 4 1 "[ +. 1 . 2]" 1 47 ALA 1.365 0.857 20 1 "[ . 1 . +]" 1 48 GLU 1.233 0.288 18 0 "[ . 1 . 2]" 1 49 ALA 0.019 0.019 1 0 "[ . 1 . 2]" 1 50 LYS 0.141 0.091 3 0 "[ . 1 . 2]" 1 51 SER 0.011 0.011 8 0 "[ . 1 . 2]" 1 52 SER 0.237 0.084 19 0 "[ . 1 . 2]" 1 53 CYS 2.238 0.443 13 0 "[ . 1 . 2]" 1 54 ALA 2.067 0.219 19 0 "[ . 1 . 2]" 1 55 ASN 6.082 0.576 12 2 "[ . 1 + . -]" 1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 ALA 0.622 0.443 13 0 "[ . 1 . 2]" 1 58 ALA 0.383 0.052 14 0 "[ . 1 . 2]" 1 59 VAL 2.143 0.879 14 1 "[ . 1 +. 2]" 1 60 CYS 0.339 0.052 14 0 "[ . 1 . 2]" 1 61 ILE 1.797 0.879 14 1 "[ . 1 +. 2]" 1 62 THR 1.724 0.152 15 0 "[ . 1 . 2]" 1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 GLY 0.362 0.104 18 0 "[ . 1 . 2]" 1 65 PRO 2.387 0.402 5 0 "[ . 1 . 2]" 1 66 LYS 2.518 0.402 5 0 "[ . 1 . 2]" 1 67 THR 0.400 0.113 17 0 "[ . 1 . 2]" 1 68 LEU 2.624 0.398 9 0 "[ . 1 . 2]" 1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 70 ALA 0.431 0.139 11 0 "[ . 1 . 2]" 1 71 GLY 1.660 0.643 7 2 "[ . + -1 . 2]" 1 72 LYS 0.173 0.068 13 0 "[ . 1 . 2]" 1 73 LEU 1.362 0.236 11 0 "[ . 1 . 2]" 1 74 SER 0.014 0.014 19 0 "[ . 1 . 2]" 1 75 LYS 1.569 0.236 11 0 "[ . 1 . 2]" 1 76 THR 0.180 0.060 18 0 "[ . 1 . 2]" 1 77 LEU 4.293 0.456 18 0 "[ . 1 . 2]" 1 78 THR 3.138 0.515 10 1 "[ . + . 2]" 1 79 TYR 0.059 0.037 19 0 "[ . 1 . 2]" 1 80 GLU 0.049 0.032 19 0 "[ . 1 . 2]" 1 81 ASP 0.014 0.014 17 0 "[ . 1 . 2]" 1 82 GLN 0.475 0.204 17 0 "[ . 1 . 2]" 1 83 VAL 0.074 0.032 19 0 "[ . 1 . 2]" 1 84 LEU 0.504 0.131 8 0 "[ . 1 . 2]" 1 85 LYS 2.725 0.393 20 0 "[ . 1 . 2]" 1 86 LEU 2.454 0.515 10 1 "[ . + . 2]" 1 87 VAL 3.965 0.444 3 0 "[ . 1 . 2]" 1 88 TYR 5.678 1.240 4 2 "[ +. 1 .- 2]" 1 89 GLU 8.639 0.794 9 4 "[ *. +1- . *2]" 1 90 ASP 2.192 0.720 19 1 "[ . 1 . +2]" 1 91 GLY 2.504 0.643 7 3 "[ *. + 1- . 2]" 1 92 ASP 1.093 0.398 9 0 "[ . 1 . 2]" 1 93 PRO 0.005 0.005 8 0 "[ . 1 . 2]" 1 94 CYS 3.561 0.466 5 0 "[ . 1 . 2]" 1 95 PRO 4.005 0.466 5 0 "[ . 1 . 2]" 1 96 THR 1.768 0.200 12 0 "[ . 1 . 2]" 1 97 ASP 0.852 0.278 5 0 "[ . 1 . 2]" 1 98 LEU 2.438 0.278 5 0 "[ . 1 . 2]" 1 99 LYS 0.905 0.117 6 0 "[ . 1 . 2]" 1 100 MET 3.207 0.216 19 0 "[ . 1 . 2]" 1 101 LYS 2.754 0.216 19 0 "[ . 1 . 2]" 1 103 LYS 0.940 0.600 9 1 "[ . +1 . 2]" 1 104 SER 2.510 0.600 1 4 "[+ . 1-* . * 2]" 1 105 TYR 0.778 0.342 17 0 "[ . 1 . 2]" 1 106 PHE 2.141 0.288 11 0 "[ . 1 . 2]" 1 107 SER 0.012 0.010 14 0 "[ . 1 . 2]" 1 108 PHE 2.650 0.567 8 1 "[ . + 1 . 2]" 1 109 VAL 0.221 0.082 8 0 "[ . 1 . 2]" 1 110 CYS 1.011 0.125 7 0 "[ . 1 . 2]" 1 111 LYS 1.283 0.302 11 0 "[ . 1 . 2]" 1 112 SER 0.038 0.038 16 0 "[ . 1 . 2]" 1 113 ASP 1.177 0.268 11 0 "[ . 1 . 2]" 1 114 ALA 1.799 0.198 1 0 "[ . 1 . 2]" 1 115 GLY 2.249 0.387 7 0 "[ . 1 . 2]" 1 116 ASP 1.814 0.387 7 0 "[ . 1 . 2]" 1 117 ASP 2.314 0.983 9 2 "[ . +- . 2]" 1 118 SER 1.424 0.482 2 0 "[ . 1 . 2]" 1 119 GLN 2.674 0.983 9 2 "[ . +- . 2]" 1 120 PRO 4.083 0.759 14 4 "[ .* 1 * +.- 2]" 1 121 VAL 0.001 0.001 9 0 "[ . 1 . 2]" 1 122 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 123 LEU 0.708 0.106 19 0 "[ . 1 . 2]" 1 124 SER 0.589 0.107 6 0 "[ . 1 . 2]" 1 125 PHE 2.570 0.810 4 1 "[ +. 1 . 2]" 1 126 ASP 0.115 0.047 11 0 "[ . 1 . 2]" 1 127 GLU 0.276 0.127 3 0 "[ . 1 . 2]" 1 128 GLN 0.295 0.137 14 0 "[ . 1 . 2]" 1 129 THR 0.611 0.137 14 0 "[ . 1 . 2]" 1 130 CYS 0.443 0.146 5 0 "[ . 1 . 2]" 1 131 THR 2.600 0.600 1 4 "[+ . 1-* . * 2]" 1 132 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 133 TYR 0.496 0.342 17 0 "[ . 1 . 2]" 1 134 PHE 2.285 0.810 4 1 "[ +. 1 . 2]" 1 135 SER 0.431 0.072 15 0 "[ . 1 . 2]" 1 136 TRP 6.556 0.759 14 4 "[ .* 1 * +.- 2]" 1 137 HIS 0.662 0.302 11 0 "[ . 1 . 2]" 1 138 THR 0.499 0.135 9 0 "[ . 1 . 2]" 1 139 SER 1.692 0.208 3 0 "[ . 1 . 2]" 1 140 LEU 0.719 0.098 11 0 "[ . 1 . 2]" 1 141 ALA 3.155 0.640 9 1 "[ . +1 . 2]" 1 142 CYS 2.017 0.640 9 1 "[ . +1 . 2]" 1 143 GLU 1.276 0.604 18 1 "[ . 1 . + 2]" 1 144 GLU 1.433 0.604 18 1 "[ . 1 . + 2]" 1 145 GLU 1.695 0.496 16 0 "[ . 1 . 2]" 1 146 VAL 0.703 0.093 3 0 "[ . 1 . 2]" 1 147 PRO 2.015 0.496 16 0 "[ . 1 . 2]" 1 148 ARG 0.390 0.177 18 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 22 LEU H 1 22 LEU MD2 4.300 . 6.000 3.601 3.310 3.965 . 0 0 "[ . 1 . 2]" 2 2 1 22 LEU MD2 1 108 PHE QD 3.000 . 4.100 3.292 2.828 3.736 . 0 0 "[ . 1 . 2]" 2 3 1 22 LEU MD2 1 108 PHE QE 3.000 . 4.200 3.912 3.414 4.237 0.037 20 0 "[ . 1 . 2]" 2 4 1 22 LEU HA 1 22 LEU MD2 2.800 . 3.700 2.051 1.891 2.131 0.009 11 0 "[ . 1 . 2]" 2 5 1 22 LEU MD2 1 140 LEU QB 3.300 . 4.700 2.381 1.870 3.626 0.030 8 0 "[ . 1 . 2]" 2 6 1 22 LEU MD2 1 22 LEU HG 2.000 . 2.500 2.128 2.121 2.136 . 0 0 "[ . 1 . 2]" 2 7 1 22 LEU MD1 1 22 LEU MD2 2.800 . 3.300 2.065 2.040 2.083 . 0 0 "[ . 1 . 2]" 2 8 1 61 ILE H 1 61 ILE MG 4.300 . 6.000 3.790 3.737 3.837 . 0 0 "[ . 1 . 2]" 2 9 1 61 ILE MG 1 62 THR H 3.300 . 4.400 3.212 2.994 3.457 . 0 0 "[ . 1 . 2]" 2 10 1 42 GLU H 1 61 ILE MG 5.000 . 6.000 4.818 4.477 5.067 . 0 0 "[ . 1 . 2]" 2 11 1 40 LYS H 1 61 ILE MG 4.000 . 6.000 4.139 3.483 4.787 . 0 0 "[ . 1 . 2]" 2 12 1 41 ILE HA 1 61 ILE MG 3.700 . 5.400 3.540 3.096 3.880 . 0 0 "[ . 1 . 2]" 2 13 1 61 ILE MG 1 63 ASP QB 4.200 . 4.800 3.527 2.812 4.404 . 0 0 "[ . 1 . 2]" 2 14 1 61 ILE HB 1 61 ILE MG 2.100 . 2.700 2.126 2.118 2.136 . 0 0 "[ . 1 . 2]" 2 15 1 41 ILE QG 1 61 ILE MG 2.600 . 3.500 2.816 2.099 3.442 . 0 0 "[ . 1 . 2]" 2 16 1 41 ILE MG 1 61 ILE MG 3.300 . 4.800 3.989 3.509 4.526 . 0 0 "[ . 1 . 2]" 2 17 1 61 ILE MD 1 61 ILE MG 2.500 . 3.000 2.025 1.988 2.061 . 0 0 "[ . 1 . 2]" 2 18 1 61 ILE MD 1 68 LEU H 4.800 . 6.000 5.576 5.325 5.796 . 0 0 "[ . 1 . 2]" 2 19 1 61 ILE MD 1 134 PHE QE 3.300 . 4.700 3.828 3.152 4.381 . 0 0 "[ . 1 . 2]" 2 20 1 61 ILE HA 1 61 ILE MD 3.000 . 4.100 2.207 2.045 2.363 . 0 0 "[ . 1 . 2]" 2 21 1 61 ILE HB 1 61 ILE MD 3.100 . 4.300 3.255 3.245 3.265 . 0 0 "[ . 1 . 2]" 2 22 1 61 ILE MD 1 61 ILE QG 2.200 . 2.800 1.889 1.886 1.892 . 0 0 "[ . 1 . 2]" 2 23 1 41 ILE QG 1 61 ILE MD 3.000 . 4.100 2.075 1.893 2.428 0.007 10 0 "[ . 1 . 2]" 2 24 1 59 VAL MG2 1 61 ILE MD 4.200 . 6.000 4.697 3.305 5.216 . 0 0 "[ . 1 . 2]" 2 25 1 61 ILE MD 1 68 LEU MD1 5.000 . 6.000 5.546 3.846 6.033 0.033 1 0 "[ . 1 . 2]" 2 26 1 105 TYR QD 1 131 THR MG 3.300 . 5.300 2.901 1.987 4.465 . 0 0 "[ . 1 . 2]" 2 27 1 105 TYR QE 1 131 THR MG 4.000 . 6.000 2.772 1.792 6.051 0.051 17 0 "[ . 1 . 2]" 2 28 1 131 THR MG 1 133 TYR QE 4.000 . 6.000 3.109 2.483 5.128 . 0 0 "[ . 1 . 2]" 2 29 1 131 THR HA 1 131 THR MG 3.300 . 4.600 2.404 2.207 3.233 . 0 0 "[ . 1 . 2]" 2 30 1 131 THR HB 1 131 THR MG 2.900 . 3.900 2.144 2.134 2.155 . 0 0 "[ . 1 . 2]" 2 31 1 78 THR HB 1 79 TYR H 3.300 . 4.900 3.611 2.484 4.081 . 0 0 "[ . 1 . 2]" 2 32 1 78 THR H 1 78 THR HB 3.100 . 4.300 3.511 3.347 3.847 . 0 0 "[ . 1 . 2]" 2 33 1 34 THR H 1 34 THR HB 2.600 . 3.400 2.616 2.510 2.755 . 0 0 "[ . 1 . 2]" 2 34 1 34 THR HA 1 34 THR HB 2.700 . 3.600 3.035 3.020 3.048 . 0 0 "[ . 1 . 2]" 2 35 1 78 THR HA 1 78 THR HB 2.700 . 3.600 2.358 2.275 2.460 . 0 0 "[ . 1 . 2]" 2 36 1 78 THR HB 1 85 LYS QB 3.800 . 5.600 5.064 3.337 5.674 0.074 10 0 "[ . 1 . 2]" 2 37 1 78 THR HB 1 78 THR MG 2.200 . 2.800 2.112 2.086 2.131 . 0 0 "[ . 1 . 2]" 2 38 1 104 SER HB2 1 131 THR HA 4.100 . 6.000 5.536 4.853 6.047 0.047 16 0 "[ . 1 . 2]" 2 39 1 104 SER HB3 1 131 THR HA 3.800 . 5.500 5.158 4.321 6.100 0.600 1 4 "[+ . 1-* . * 2]" 2 40 1 13 ASN QD 1 15 ALA MB 2.800 . 3.800 2.340 1.837 3.378 0.163 11 0 "[ . 1 . 2]" 2 41 1 114 ALA MB 1 139 SER H 3.000 . 4.200 3.417 1.901 4.271 0.071 12 0 "[ . 1 . 2]" 2 42 1 15 ALA MB 1 17 GLY H 4.500 . 6.000 4.341 3.970 4.678 . 0 0 "[ . 1 . 2]" 2 43 1 114 ALA MB 1 115 GLY H 2.800 . 3.800 3.068 2.152 3.646 . 0 0 "[ . 1 . 2]" 2 44 1 15 ALA H 1 15 ALA MB 2.000 . 2.500 2.255 2.227 2.296 . 0 0 "[ . 1 . 2]" 2 45 1 111 LYS H 1 114 ALA MB 4.400 . 6.000 3.995 2.767 5.463 . 0 0 "[ . 1 . 2]" 2 46 1 15 ALA MB 1 16 THR H 2.500 . 3.300 2.484 2.058 2.842 . 0 0 "[ . 1 . 2]" 2 47 1 114 ALA MB 1 138 THR HA 2.500 . 3.300 2.661 1.822 3.235 . 0 0 "[ . 1 . 2]" 2 48 1 114 ALA HA 1 114 ALA MB 2.000 . 2.500 2.130 2.108 2.159 . 0 0 "[ . 1 . 2]" 2 49 1 13 ASN HB2 1 15 ALA MB 4.500 . 6.000 4.433 2.903 4.796 . 0 0 "[ . 1 . 2]" 2 50 1 14 PRO HG2 1 15 ALA MB 2.900 . 4.000 3.690 3.346 3.998 . 0 0 "[ . 1 . 2]" 2 51 1 111 LYS QB 1 114 ALA MB 2.700 . 3.600 2.617 1.774 3.630 0.030 15 0 "[ . 1 . 2]" 2 52 1 45 VAL HA 1 73 LEU QD 3.700 . 5.400 2.651 2.103 3.151 . 0 0 "[ . 1 . 2]" 2 53 1 25 LEU MD1 1 136 TRP HE1 3.600 . 5.200 3.331 2.020 4.708 . 0 0 "[ . 1 . 2]" 2 54 1 25 LEU H 1 25 LEU MD1 3.900 . 5.800 3.713 2.305 4.299 . 0 0 "[ . 1 . 2]" 2 55 1 25 LEU MD1 1 26 LYS H 4.800 . 6.000 4.453 3.691 4.960 . 0 0 "[ . 1 . 2]" 2 56 1 25 LEU MD1 1 25 LEU MD2 2.200 . 2.800 2.074 2.048 2.090 . 0 0 "[ . 1 . 2]" 2 57 1 77 LEU H 1 78 THR MG 3.300 . 4.300 4.372 4.131 4.459 0.159 2 0 "[ . 1 . 2]" 2 58 1 62 THR H 1 62 THR MG 4.300 . 6.000 3.677 2.973 3.847 . 0 0 "[ . 1 . 2]" 2 59 1 32 THR HA 1 32 THR MG 2.900 . 4.000 3.064 2.244 3.222 . 0 0 "[ . 1 . 2]" 2 60 1 87 VAL MG2 1 106 PHE H 4.900 . 6.000 5.355 4.871 5.765 . 0 0 "[ . 1 . 2]" 2 61 1 87 VAL MG2 1 88 TYR H 3.600 . 5.200 4.055 3.738 4.308 . 0 0 "[ . 1 . 2]" 2 62 1 87 VAL H 1 87 VAL MG2 2.800 . 3.800 2.155 1.939 2.376 . 0 0 "[ . 1 . 2]" 2 63 1 87 VAL MG2 1 105 TYR QD 4.000 . 6.000 4.918 4.392 5.435 . 0 0 "[ . 1 . 2]" 2 64 1 87 VAL MG2 1 105 TYR HA 4.300 . 6.000 4.919 4.515 5.248 . 0 0 "[ . 1 . 2]" 2 65 1 87 VAL HA 1 87 VAL MG2 3.000 . 4.200 3.232 3.184 3.248 . 0 0 "[ . 1 . 2]" 2 66 1 87 VAL MG2 1 103 LYS QE 5.100 . 6.000 4.192 2.381 6.288 0.288 11 0 "[ . 1 . 2]" 2 67 1 87 VAL MG2 1 89 GLU HG3 3.300 . 4.800 4.415 2.853 5.244 0.444 3 0 "[ . 1 . 2]" 2 68 1 87 VAL MG2 1 89 GLU HB3 3.600 . 5.100 3.518 2.369 4.612 . 0 0 "[ . 1 . 2]" 2 69 1 87 VAL HB 1 87 VAL MG2 2.100 . 2.700 2.139 2.126 2.145 . 0 0 "[ . 1 . 2]" 2 70 1 53 CYS HB3 1 54 ALA MB 5.200 . 6.000 4.319 3.631 5.361 . 0 0 "[ . 1 . 2]" 2 71 1 100 MET H 1 100 MET ME 3.700 . 5.400 4.616 3.754 5.040 . 0 0 "[ . 1 . 2]" 2 72 1 100 MET HA 1 100 MET ME 4.100 . 6.000 4.446 3.848 5.435 . 0 0 "[ . 1 . 2]" 2 73 1 100 MET ME 1 129 THR MG 3.000 . 5.000 3.635 2.260 4.947 . 0 0 "[ . 1 . 2]" 2 74 1 95 PRO HB3 1 96 THR H 3.800 . 5.500 4.240 3.986 4.531 . 0 0 "[ . 1 . 2]" 2 75 1 95 PRO HG3 1 96 THR H 4.100 . 6.000 4.511 4.203 4.857 . 0 0 "[ . 1 . 2]" 2 76 1 83 VAL HB 1 85 LYS QE 4.000 . 6.000 3.156 1.789 5.586 0.011 12 0 "[ . 1 . 2]" 2 77 1 27 ARG HD3 1 30 GLY H 3.900 . 5.800 3.847 2.335 5.353 . 0 0 "[ . 1 . 2]" 2 78 1 27 ARG HD3 1 27 ARG HE 2.900 . 4.000 2.763 2.440 2.933 . 0 0 "[ . 1 . 2]" 2 79 1 27 ARG HA 1 27 ARG HD3 4.800 . 6.000 5.153 4.199 5.544 . 0 0 "[ . 1 . 2]" 2 80 1 98 LEU HB2 1 99 LYS H 3.300 . 4.600 2.759 2.005 4.178 . 0 0 "[ . 1 . 2]" 2 81 1 97 ASP HA 1 98 LEU HB2 4.400 . 6.000 5.070 4.545 6.278 0.278 5 0 "[ . 1 . 2]" 2 82 1 98 LEU HA 1 98 LEU HB2 2.800 . 3.800 2.916 2.363 3.037 . 0 0 "[ . 1 . 2]" 2 83 1 85 LYS QB 1 85 LYS QE 3.900 . 5.600 3.440 1.964 3.872 0.036 5 0 "[ . 1 . 2]" 2 84 1 85 LYS QE 1 85 LYS HG3 2.600 . 6.000 2.635 2.316 3.303 . 0 0 "[ . 1 . 2]" 2 85 1 83 VAL QG 1 85 LYS QE 3.000 . 4.000 2.908 1.976 3.892 . 0 0 "[ . 1 . 2]" 2 86 1 126 ASP QB 1 133 TYR QE 3.400 . 4.800 3.126 1.953 4.820 0.047 11 0 "[ . 1 . 2]" 2 87 1 85 LYS QD 1 85 LYS QE 3.000 . 3.800 2.036 1.969 2.094 . 0 0 "[ . 1 . 2]" 2 88 1 90 ASP HA 1 90 ASP HB2 2.800 . 3.800 2.503 2.355 3.021 . 0 0 "[ . 1 . 2]" 2 89 1 4 ASN HB2 1 5 VAL H 4.200 . 6.000 4.022 2.371 4.420 . 0 0 "[ . 1 . 2]" 2 90 1 4 ASN HB2 1 4 ASN HD21 2.900 . 4.000 2.578 2.144 3.541 . 0 0 "[ . 1 . 2]" 2 91 1 80 GLU HA 1 80 GLU QG 3.100 . 4.300 2.643 2.424 3.049 . 0 0 "[ . 1 . 2]" 2 92 1 6 GLN QG 1 47 ALA H 4.500 . 6.000 4.903 4.039 5.872 . 0 0 "[ . 1 . 2]" 2 93 1 6 GLN HA 1 6 GLN QG 2.700 . 3.600 2.861 2.374 3.451 . 0 0 "[ . 1 . 2]" 2 94 1 6 GLN HE21 1 6 GLN QG 2.800 . 3.400 2.211 2.103 2.307 . 0 0 "[ . 1 . 2]" 2 95 1 48 GLU H 1 75 LYS QB 3.800 . 6.000 5.712 5.356 5.881 . 0 0 "[ . 1 . 2]" 2 96 1 75 LYS QB 1 76 THR H 3.300 . 4.600 3.862 3.103 4.043 . 0 0 "[ . 1 . 2]" 2 97 1 65 PRO HB2 1 65 PRO HD3 4.200 . 6.000 4.032 3.916 4.119 . 0 0 "[ . 1 . 2]" 2 98 1 65 PRO HB2 1 65 PRO HD2 3.800 . 5.500 3.590 2.981 3.995 . 0 0 "[ . 1 . 2]" 2 99 1 146 VAL HB 1 146 VAL QG 2.000 . 2.500 1.892 1.880 1.898 . 0 0 "[ . 1 . 2]" 2 100 1 146 VAL HA 1 146 VAL HB 2.500 . 3.300 2.855 2.394 3.055 . 0 0 "[ . 1 . 2]" 2 101 1 146 VAL HB 1 147 PRO HD3 4.400 . 6.000 4.695 4.043 4.950 . 0 0 "[ . 1 . 2]" 2 102 1 143 GLU H 1 143 GLU QB 3.300 . 4.600 2.463 2.245 3.000 . 0 0 "[ . 1 . 2]" 2 103 1 16 THR MG 1 143 GLU H 4.500 . 6.000 3.155 1.955 5.105 0.045 2 0 "[ . 1 . 2]" 2 104 1 50 LYS H 1 50 LYS HB2 2.500 . 3.300 2.636 2.329 3.071 . 0 0 "[ . 1 . 2]" 2 105 1 143 GLU HA 1 143 GLU HB3 2.600 . 6.000 2.884 2.265 3.055 . 0 0 "[ . 1 . 2]" 2 106 1 38 ASN HB3 1 39 ARG QB 3.000 . 4.200 4.129 3.525 5.009 0.809 19 2 "[ - . 1 . +2]" 2 107 1 143 GLU QB 1 143 GLU HG2 2.300 . 3.000 2.287 2.154 2.437 . 0 0 "[ . 1 . 2]" 2 108 1 28 GLU HA 1 28 GLU QB 2.400 . 3.100 2.320 2.154 2.410 . 0 0 "[ . 1 . 2]" 2 109 1 6 GLN H 1 6 GLN HB3 3.400 . 4.800 3.554 2.576 3.770 . 0 0 "[ . 1 . 2]" 2 110 1 95 PRO HD3 1 95 PRO QG 2.400 . 6.000 2.214 2.182 2.274 . 0 0 "[ . 1 . 2]" 2 111 1 95 PRO HD2 1 95 PRO QG 2.400 . 6.000 2.223 2.182 2.262 . 0 0 "[ . 1 . 2]" 2 112 1 147 PRO HB3 1 147 PRO QG 2.100 . 2.700 2.207 2.169 2.245 . 0 0 "[ . 1 . 2]" 2 113 1 147 PRO HB2 1 147 PRO QG 2.300 . 3.000 2.195 2.164 2.257 . 0 0 "[ . 1 . 2]" 2 114 1 85 LYS H 1 85 LYS QG 3.300 . 4.700 3.043 2.544 3.977 . 0 0 "[ . 1 . 2]" 2 115 1 85 LYS QG 1 86 LEU H 4.300 . 6.000 4.091 2.663 4.763 . 0 0 "[ . 1 . 2]" 2 116 1 85 LYS HA 1 85 LYS QG 3.000 . 4.100 2.698 2.216 3.113 . 0 0 "[ . 1 . 2]" 2 117 1 47 ALA HA 1 75 LYS QG 5.300 . 6.000 5.003 3.551 5.821 . 0 0 "[ . 1 . 2]" 2 118 1 85 LYS QE 1 85 LYS QG 3.300 . 4.600 2.304 2.098 2.700 . 0 0 "[ . 1 . 2]" 2 119 1 141 ALA MB 1 142 CYS H . . 3.700 2.496 1.925 3.587 . 0 0 "[ . 1 . 2]" 2 120 1 141 ALA H 1 141 ALA MB 2.300 . 2.900 2.220 2.169 2.278 . 0 0 "[ . 1 . 2]" 2 121 1 108 PHE QD 1 141 ALA MB 3.900 . 5.800 3.516 2.840 4.199 . 0 0 "[ . 1 . 2]" 2 122 1 108 PHE HA 1 141 ALA MB 3.800 . 5.600 3.507 3.263 3.968 . 0 0 "[ . 1 . 2]" 2 123 1 141 ALA HA 1 141 ALA MB 2.100 . 2.600 2.113 2.097 2.128 . 0 0 "[ . 1 . 2]" 2 124 1 110 CYS HA 1 141 ALA MB 2.400 . 3.100 2.719 2.122 3.193 0.093 12 0 "[ . 1 . 2]" 2 125 1 108 PHE HB3 1 141 ALA MB 2.300 . 3.000 2.094 1.654 2.784 . 0 0 "[ . 1 . 2]" 2 126 1 108 PHE HB2 1 141 ALA MB 3.400 . 4.800 2.858 2.425 3.606 . 0 0 "[ . 1 . 2]" 2 127 1 84 LEU MD2 1 141 ALA MB 3.000 . 4.100 2.915 2.194 3.473 . 0 0 "[ . 1 . 2]" 2 128 1 84 LEU MD1 1 141 ALA MB 2.600 . 6.000 4.574 3.993 4.997 . 0 0 "[ . 1 . 2]" 2 129 1 22 LEU MD1 1 141 ALA MB 3.900 . 5.800 4.336 3.740 4.810 . 0 0 "[ . 1 . 2]" 2 130 1 3 SER H 1 3 SER QB 2.900 . 3.800 2.514 2.159 3.106 . 0 0 "[ . 1 . 2]" 2 131 1 29 SER HB2 1 30 GLY H 3.500 . 5.000 2.836 2.043 3.693 . 0 0 "[ . 1 . 2]" 2 132 1 147 PRO HA 1 148 ARG H 2.300 . 6.000 3.210 2.072 3.590 . 0 0 "[ . 1 . 2]" 2 133 1 147 PRO HA 1 147 PRO HB3 2.100 . 2.700 2.301 2.253 2.347 . 0 0 "[ . 1 . 2]" 2 134 1 146 VAL QG 1 147 PRO HA 6.000 . 6.000 4.113 3.825 4.337 . 0 0 "[ . 1 . 2]" 2 135 1 5 VAL H 1 5 VAL HA 2.400 . 3.100 2.869 2.290 2.940 . 0 0 "[ . 1 . 2]" 2 136 1 5 VAL HA 1 6 GLN QG 4.800 . 6.000 4.089 3.613 5.416 . 0 0 "[ . 1 . 2]" 2 137 1 5 VAL HA 1 5 VAL QG 2.300 . 3.000 2.260 2.125 2.392 . 0 0 "[ . 1 . 2]" 2 138 1 3 SER HA 1 4 ASN H 2.700 . 6.000 3.177 2.035 3.653 . 0 0 "[ . 1 . 2]" 2 139 1 3 SER HA 1 4 ASN HA 3.300 . 6.000 4.503 4.285 4.692 . 0 0 "[ . 1 . 2]" 2 140 1 3 SER HA 1 3 SER QB 2.200 . 6.000 2.327 2.097 2.397 . 0 0 "[ . 1 . 2]" 2 141 1 6 GLN HA 1 7 ASN H 2.800 . 3.800 3.028 2.156 3.554 . 0 0 "[ . 1 . 2]" 2 142 1 6 GLN HA 1 6 GLN HB3 2.200 . 2.800 2.512 2.245 2.647 . 0 0 "[ . 1 . 2]" 2 143 1 46 CYS H 1 46 CYS HA 2.300 . 3.000 2.392 2.202 2.956 . 0 0 "[ . 1 . 2]" 2 144 1 140 LEU H 1 140 LEU HA 2.600 . 3.400 2.894 2.820 2.927 . 0 0 "[ . 1 . 2]" 2 145 1 38 ASN H 1 38 ASN HA 2.400 . 3.100 2.852 2.247 2.987 . 0 0 "[ . 1 . 2]" 2 146 1 38 ASN HA 1 38 ASN HB3 2.500 . 3.300 2.782 2.401 3.008 . 0 0 "[ . 1 . 2]" 2 147 1 119 GLN HA 1 119 GLN QG 3.500 . 5.000 3.361 3.316 3.440 . 0 0 "[ . 1 . 2]" 2 148 1 119 GLN HA 1 119 GLN HB3 2.600 . 3.400 2.401 2.341 2.513 . 0 0 "[ . 1 . 2]" 2 149 1 119 GLN HA 1 119 GLN HB2 2.800 . 3.700 2.461 2.387 2.553 . 0 0 "[ . 1 . 2]" 2 150 1 47 ALA H 1 47 ALA HA 2.700 . 3.600 2.867 2.772 2.923 . 0 0 "[ . 1 . 2]" 2 151 1 44 ASN HB3 1 49 ALA HA 3.000 . 4.100 2.813 2.122 4.119 0.019 1 0 "[ . 1 . 2]" 2 152 1 68 LEU HA 1 68 LEU HB2 2.700 . 3.600 2.472 2.399 2.581 . 0 0 "[ . 1 . 2]" 2 153 1 27 ARG HD3 1 27 ARG HG2 2.900 . 4.000 2.467 2.342 3.018 . 0 0 "[ . 1 . 2]" 2 154 1 72 LYS QG 1 73 LEU QD 2.800 . 6.000 4.653 4.352 4.978 . 0 0 "[ . 1 . 2]" 2 155 1 99 LYS QB 1 99 LYS QE 3.500 . 5.100 2.774 1.888 3.750 0.012 17 0 "[ . 1 . 2]" 2 156 1 35 ASP QB 1 41 ILE MD 3.300 . 4.700 2.755 2.296 3.279 . 0 0 "[ . 1 . 2]" 2 157 1 41 ILE MD 1 122 PHE HB3 3.100 . 4.300 3.090 2.340 3.851 . 0 0 "[ . 1 . 2]" 2 158 1 41 ILE MD 1 41 ILE QG 2.100 . 2.600 1.915 1.911 1.917 . 0 0 "[ . 1 . 2]" 2 159 1 41 ILE HA 1 41 ILE MD 4.900 . 6.000 3.875 3.831 3.924 . 0 0 "[ . 1 . 2]" 2 160 1 41 ILE MD 1 134 PHE QE 3.000 . 4.100 2.273 1.859 3.208 0.041 4 0 "[ . 1 . 2]" 2 161 1 41 ILE H 1 41 ILE MD 4.100 . 6.000 3.959 3.751 4.308 . 0 0 "[ . 1 . 2]" 2 162 1 33 ILE H 1 33 ILE MD 4.300 . 6.000 3.937 3.792 4.106 . 0 0 "[ . 1 . 2]" 2 163 1 61 ILE MD 1 125 PHE QE 3.800 . 5.600 3.081 2.118 4.100 . 0 0 "[ . 1 . 2]" 2 164 1 31 TYR QD 1 33 ILE MD 3.600 . 5.200 4.462 3.161 5.383 0.183 11 0 "[ . 1 . 2]" 2 165 1 33 ILE MD 1 134 PHE QE 3.900 . 5.800 3.152 1.974 4.535 0.026 20 0 "[ . 1 . 2]" 2 166 1 33 ILE MD 1 121 VAL HA 3.800 . 5.300 4.312 3.669 4.872 . 0 0 "[ . 1 . 2]" 2 167 1 33 ILE MD 1 122 PHE HB3 2.900 . 4.000 2.602 1.968 3.520 . 0 0 "[ . 1 . 2]" 2 168 1 33 ILE HB 1 33 ILE MD 2.500 . 3.300 2.494 2.416 2.642 . 0 0 "[ . 1 . 2]" 2 169 1 33 ILE MD 1 41 ILE HB 3.300 . 4.700 2.941 2.732 3.813 . 0 0 "[ . 1 . 2]" 2 170 1 33 ILE MD 1 41 ILE MD 3.000 . 4.200 2.715 2.221 3.561 . 0 0 "[ . 1 . 2]" 2 171 1 33 ILE HA 1 33 ILE MG 2.500 . 3.300 2.246 2.166 2.345 . 0 0 "[ . 1 . 2]" 2 172 1 33 ILE MG 1 121 VAL HA 4.100 . 6.000 4.192 3.810 4.888 . 0 0 "[ . 1 . 2]" 2 173 1 68 LEU HG 1 70 ALA MB 3.800 . 5.000 3.753 2.977 5.009 0.009 14 0 "[ . 1 . 2]" 2 174 1 59 VAL MG1 1 70 ALA MB . . 2.800 2.050 1.776 2.448 0.024 15 0 "[ . 1 . 2]" 2 175 1 68 LEU MD2 1 70 ALA MB 3.600 . 4.800 3.934 3.044 4.929 0.129 7 0 "[ . 1 . 2]" 2 176 1 68 LEU MD1 1 70 ALA MB 3.800 . 5.200 4.114 2.464 5.001 . 0 0 "[ . 1 . 2]" 2 177 1 61 ILE HG12 1 70 ALA MB 4.000 . 5.500 2.517 1.661 3.228 0.139 11 0 "[ . 1 . 2]" 2 178 1 33 ILE HB 1 33 ILE MG 2.200 . 2.800 2.140 2.111 2.176 . 0 0 "[ . 1 . 2]" 2 179 1 33 ILE MG 1 41 ILE HB 4.800 . 6.000 4.457 3.891 4.722 . 0 0 "[ . 1 . 2]" 2 180 1 33 ILE MG 1 120 PRO HB3 4.300 . 6.000 4.261 3.549 5.635 . 0 0 "[ . 1 . 2]" 2 181 1 33 ILE MG 1 119 GLN QG 4.200 . 6.000 4.167 2.933 4.825 . 0 0 "[ . 1 . 2]" 2 182 1 48 GLU HA 1 49 ALA MB 4.400 . 6.000 3.989 3.881 4.123 . 0 0 "[ . 1 . 2]" 2 183 1 49 ALA MB 1 51 SER HB2 4.100 . 6.000 4.200 2.282 5.375 . 0 0 "[ . 1 . 2]" 2 184 1 44 ASN HB3 1 49 ALA MB 3.600 . 5.200 2.746 2.157 4.255 . 0 0 "[ . 1 . 2]" 2 185 1 49 ALA MB 1 59 VAL HA 3.700 . 5.400 4.257 3.480 4.853 . 0 0 "[ . 1 . 2]" 2 186 1 70 ALA HA 1 70 ALA MB 2.400 . 3.100 2.133 2.127 2.140 . 0 0 "[ . 1 . 2]" 2 187 1 69 ASN HA 1 70 ALA MB 4.100 . 6.000 4.008 3.926 4.064 . 0 0 "[ . 1 . 2]" 2 188 1 43 LEU HA 1 49 ALA MB 3.300 . 4.800 3.270 2.305 3.981 . 0 0 "[ . 1 . 2]" 2 189 1 49 ALA H 1 49 ALA MB 2.500 . 3.300 2.279 2.244 2.319 . 0 0 "[ . 1 . 2]" 2 190 1 49 ALA MB 1 50 LYS H 3.500 . 4.700 3.185 2.680 3.560 . 0 0 "[ . 1 . 2]" 2 191 1 44 ASN HB2 1 49 ALA MB 3.400 . 4.900 2.649 2.125 3.397 . 0 0 "[ . 1 . 2]" 2 192 1 70 ALA H 1 70 ALA MB 2.600 . 3.500 2.320 2.243 2.437 . 0 0 "[ . 1 . 2]" 2 193 1 61 ILE H 1 70 ALA MB 3.600 . 5.200 3.744 3.021 4.339 . 0 0 "[ . 1 . 2]" 2 194 1 22 LEU MD1 1 84 LEU MD1 3.700 . 5.400 3.945 3.590 4.408 . 0 0 "[ . 1 . 2]" 2 195 1 68 LEU H 1 68 LEU MD1 4.300 . 6.000 4.248 4.138 4.348 . 0 0 "[ . 1 . 2]" 2 196 1 68 LEU MD1 1 92 ASP H 3.800 . 5.600 4.091 3.235 4.944 . 0 0 "[ . 1 . 2]" 2 197 1 68 LEU MD1 1 70 ALA H 3.800 . 5.600 4.760 2.949 5.532 . 0 0 "[ . 1 . 2]" 2 198 1 68 LEU MD1 1 69 ASN H 2.700 . 3.600 2.782 2.344 3.398 . 0 0 "[ . 1 . 2]" 2 199 1 68 LEU MD1 1 92 ASP HA 4.000 . 6.000 5.057 3.942 6.398 0.398 9 0 "[ . 1 . 2]" 2 200 1 68 LEU MD1 1 69 ASN HA 3.800 . 5.600 4.567 3.698 5.081 . 0 0 "[ . 1 . 2]" 2 201 1 68 LEU HA 1 68 LEU MD1 2.700 . 3.600 2.331 2.093 3.127 . 0 0 "[ . 1 . 2]" 2 202 1 68 LEU MD1 1 92 ASP HB3 3.000 . 4.100 2.990 1.904 4.370 0.270 14 0 "[ . 1 . 2]" 2 203 1 68 LEU MD1 1 92 ASP HB2 3.700 . 5.400 3.353 2.032 5.553 0.153 9 0 "[ . 1 . 2]" 2 204 1 61 ILE HB 1 68 LEU MD1 3.500 . 5.000 4.192 2.861 4.555 . 0 0 "[ . 1 . 2]" 2 205 1 68 LEU HB3 1 68 LEU MD1 3.600 . 5.200 3.042 2.390 3.211 . 0 0 "[ . 1 . 2]" 2 206 1 68 LEU HB2 1 68 LEU MD1 2.400 . 3.100 2.539 2.305 3.240 0.140 3 0 "[ . 1 . 2]" 2 207 1 68 LEU MD1 1 68 LEU HG 2.200 . 2.800 2.118 2.109 2.125 . 0 0 "[ . 1 . 2]" 2 208 1 68 LEU MD1 1 68 LEU MD2 2.300 . 3.000 2.086 2.082 2.093 . 0 0 "[ . 1 . 2]" 2 209 1 89 GLU HG3 1 90 ASP HB3 4.600 . 6.000 4.657 3.177 6.488 0.488 1 0 "[ . 1 . 2]" 2 210 1 144 GLU HB2 1 144 GLU QG 2.300 . 3.000 2.317 2.153 2.448 . 0 0 "[ . 1 . 2]" 2 211 1 109 VAL QG 1 137 HIS HB2 4.500 . 6.000 4.173 2.837 4.613 . 0 0 "[ . 1 . 2]" 2 212 1 109 VAL QG 1 137 HIS H 5.000 . 6.000 3.919 3.563 4.229 . 0 0 "[ . 1 . 2]" 2 213 1 109 VAL QG 1 110 CYS HB2 4.500 . 6.000 4.399 2.989 5.143 . 0 0 "[ . 1 . 2]" 2 214 1 26 LYS QD 1 26 LYS QE 1.900 . 2.300 2.051 1.982 2.105 . 0 0 "[ . 1 . 2]" 2 215 1 4 ASN HB2 1 26 LYS QD 3.800 . 5.600 4.685 3.590 5.555 . 0 0 "[ . 1 . 2]" 2 216 1 25 LEU H 1 25 LEU HG 3.600 . 5.200 4.236 2.195 4.819 . 0 0 "[ . 1 . 2]" 2 217 1 73 LEU QD 1 74 SER H 4.000 . 4.900 2.443 1.936 3.141 . 0 0 "[ . 1 . 2]" 2 218 1 25 LEU HB3 1 25 LEU HG 2.800 . 4.000 2.549 2.395 3.032 . 0 0 "[ . 1 . 2]" 2 219 1 94 CYS H 1 98 LEU QD 4.500 . 5.500 4.156 3.139 4.764 . 0 0 "[ . 1 . 2]" 2 220 1 98 LEU H 1 98 LEU QD 3.500 2.100 3.500 2.595 1.970 3.186 0.130 2 0 "[ . 1 . 2]" 2 221 1 98 LEU QD 1 99 LYS H 4.700 . 5.500 3.435 2.279 4.031 . 0 0 "[ . 1 . 2]" 2 222 1 95 PRO HA 1 98 LEU QD 4.800 . 6.000 2.410 1.935 3.006 0.065 17 0 "[ . 1 . 2]" 2 223 1 98 LEU HA 1 98 LEU QD 3.700 . 4.100 2.669 2.122 3.478 . 0 0 "[ . 1 . 2]" 2 224 1 98 LEU HB3 1 98 LEU QD 2.400 . 2.900 2.100 2.033 2.177 . 0 0 "[ . 1 . 2]" 2 225 1 98 LEU HB2 1 98 LEU QD 2.400 . 2.900 2.110 2.036 2.200 . 0 0 "[ . 1 . 2]" 2 226 1 77 LEU H 1 77 LEU QD 3.100 . 4.300 3.596 2.323 4.000 . 0 0 "[ . 1 . 2]" 2 227 1 22 LEU H 1 77 LEU QD 4.000 . 5.400 2.941 2.085 3.897 . 0 0 "[ . 1 . 2]" 2 228 1 10 ARG H 1 77 LEU MD2 4.000 . 5.000 3.876 3.052 5.092 0.092 7 0 "[ . 1 . 2]" 2 229 1 77 LEU QD 1 84 LEU HA 5.000 . 6.000 4.525 4.276 5.350 . 0 0 "[ . 1 . 2]" 2 230 1 86 LEU HA 1 86 LEU MD1 3.800 . 5.600 3.105 2.039 3.853 . 0 0 "[ . 1 . 2]" 2 231 1 11 VAL HB 1 77 LEU QD 4.000 . 5.500 3.654 3.171 4.356 . 0 0 "[ . 1 . 2]" 2 232 1 95 PRO HD3 1 96 THR H 4.000 . 6.000 3.863 3.548 4.064 . 0 0 "[ . 1 . 2]" 2 233 1 77 LEU QD 1 84 LEU HB3 4.100 . 6.000 4.236 3.936 4.981 . 0 0 "[ . 1 . 2]" 2 234 1 22 LEU HG 1 77 LEU QD 3.200 . 4.400 2.424 1.816 2.851 . 0 0 "[ . 1 . 2]" 2 235 1 22 LEU MD1 1 77 LEU QD . . 3.100 2.175 1.893 2.477 0.007 7 0 "[ . 1 . 2]" 2 236 1 26 LYS QE 1 26 LYS QG 2.700 . 6.000 2.412 2.081 2.800 . 0 0 "[ . 1 . 2]" 2 237 1 73 LEU H 1 73 LEU QD 4.200 . 6.000 3.700 3.632 3.768 . 0 0 "[ . 1 . 2]" 2 238 1 73 LEU QD 1 88 TYR QD 4.000 . 6.000 3.805 3.046 4.492 . 0 0 "[ . 1 . 2]" 2 239 1 73 LEU HA 1 73 LEU QD 2.900 . 6.000 2.135 1.928 2.289 . 0 0 "[ . 1 . 2]" 2 240 1 140 LEU QD 1 140 LEU HG 2.100 . 2.700 1.882 1.876 1.890 . 0 0 "[ . 1 . 2]" 2 241 1 140 LEU MD1 1 140 LEU MD2 2.300 . 2.900 2.089 2.053 2.100 . 0 0 "[ . 1 . 2]" 2 242 1 19 LEU QD 1 20 PHE H 2.800 . 3.800 2.519 2.207 2.976 . 0 0 "[ . 1 . 2]" 2 243 1 12 THR H 1 19 LEU QD 4.100 . 6.000 3.713 3.111 4.469 . 0 0 "[ . 1 . 2]" 2 244 1 19 LEU H 1 19 LEU QD 4.200 . 6.000 3.755 3.673 3.837 . 0 0 "[ . 1 . 2]" 2 245 1 19 LEU QD 1 20 PHE QD 4.700 . 6.000 4.625 4.196 4.959 . 0 0 "[ . 1 . 2]" 2 246 1 10 ARG HE 1 19 LEU QD 4.000 . 6.000 3.454 1.787 5.275 0.013 7 0 "[ . 1 . 2]" 2 247 1 12 THR HA 1 19 LEU QD 3.500 . 4.800 2.932 2.071 3.748 . 0 0 "[ . 1 . 2]" 2 248 1 10 ARG HA 1 19 LEU QD 3.400 . 4.900 3.686 2.779 4.276 . 0 0 "[ . 1 . 2]" 2 249 1 19 LEU HA 1 19 LEU QD 2.800 . 3.500 2.456 2.047 3.084 . 0 0 "[ . 1 . 2]" 2 250 1 19 LEU QD 1 21 ASP HB3 3.500 . 5.000 3.084 2.139 4.521 . 0 0 "[ . 1 . 2]" 2 251 1 23 THR H 1 23 THR MG 2.200 . 2.800 2.605 2.229 3.009 0.209 4 0 "[ . 1 . 2]" 2 252 1 11 VAL MG2 1 12 THR H 2.500 . 3.100 2.395 1.949 2.607 . 0 0 "[ . 1 . 2]" 2 253 1 96 THR H 1 96 THR MG 3.300 . 4.600 3.124 2.270 3.844 . 0 0 "[ . 1 . 2]" 2 254 1 11 VAL MG2 1 20 PHE QE 3.500 . 5.000 2.345 1.963 2.854 0.037 19 0 "[ . 1 . 2]" 2 255 1 11 VAL HA 1 11 VAL MG2 2.300 . 2.900 2.379 2.305 2.454 . 0 0 "[ . 1 . 2]" 2 256 1 96 THR HB 1 96 THR MG 2.100 . 2.700 2.150 2.138 2.162 . 0 0 "[ . 1 . 2]" 2 257 1 11 VAL MG1 1 11 VAL MG2 2.200 . 2.800 2.090 2.071 2.107 . 0 0 "[ . 1 . 2]" 2 258 1 11 VAL MG2 1 77 LEU QD 4.600 . 6.000 4.411 4.139 5.059 . 0 0 "[ . 1 . 2]" 2 259 1 11 VAL MG2 1 84 LEU MD1 5.000 . 6.000 4.187 3.814 4.616 . 0 0 "[ . 1 . 2]" 2 260 1 140 LEU QD 1 141 ALA H 2.400 . 6.000 3.834 3.617 4.043 . 0 0 "[ . 1 . 2]" 2 261 1 121 VAL HB 1 121 VAL QG 1.800 . 2.200 1.897 1.890 1.901 . 0 0 "[ . 1 . 2]" 2 262 1 11 VAL MG1 1 12 THR H 3.600 . 5.200 3.772 3.333 3.977 . 0 0 "[ . 1 . 2]" 2 263 1 11 VAL MG1 1 20 PHE QD 3.500 . 5.000 2.673 1.957 3.488 0.043 4 0 "[ . 1 . 2]" 2 264 1 11 VAL HB 1 11 VAL MG1 2.200 . 2.800 2.107 2.097 2.118 . 0 0 "[ . 1 . 2]" 2 265 1 11 VAL MG1 1 77 LEU QD 3.500 . 5.000 2.426 2.006 3.431 . 0 0 "[ . 1 . 2]" 2 266 1 34 THR MG 1 41 ILE H 4.900 . 6.000 4.512 3.849 4.928 . 0 0 "[ . 1 . 2]" 2 267 1 34 THR H 1 34 THR MG 3.200 . 4.500 3.806 3.756 3.892 . 0 0 "[ . 1 . 2]" 2 268 1 34 THR MG 1 35 ASP H 2.800 . 3.800 2.311 2.051 2.692 . 0 0 "[ . 1 . 2]" 2 269 1 34 THR HA 1 34 THR MG 2.400 . 3.100 2.321 2.247 2.376 . 0 0 "[ . 1 . 2]" 2 270 1 34 THR MG 1 40 LYS HA 3.600 . 5.200 3.374 2.214 4.148 . 0 0 "[ . 1 . 2]" 2 271 1 34 THR MG 1 36 SER HA 3.000 . 6.000 3.820 2.915 4.622 . 0 0 "[ . 1 . 2]" 2 272 1 34 THR HB 1 34 THR MG 2.200 . 2.800 2.152 2.142 2.162 . 0 0 "[ . 1 . 2]" 2 273 1 108 PHE H 1 109 VAL QG 2.800 . 6.000 4.556 4.027 4.837 . 0 0 "[ . 1 . 2]" 2 274 1 109 VAL QG 1 136 TRP H 3.500 . 5.000 3.316 2.776 3.822 . 0 0 "[ . 1 . 2]" 2 275 1 109 VAL H 1 109 VAL QG 2.300 . 3.000 2.057 1.918 2.209 0.082 8 0 "[ . 1 . 2]" 2 276 1 109 VAL QG 1 137 HIS HE2 4.500 . 6.000 3.326 2.557 5.243 . 0 0 "[ . 1 . 2]" 2 277 1 109 VAL QG 1 135 SER HA 3.900 . 5.800 3.799 3.165 4.432 . 0 0 "[ . 1 . 2]" 2 278 1 109 VAL HA 1 109 VAL QG 2.700 . 3.600 2.425 2.166 2.516 . 0 0 "[ . 1 . 2]" 2 279 1 109 VAL HB 1 109 VAL QG 2.100 . 2.700 1.888 1.874 1.897 . 0 0 "[ . 1 . 2]" 2 280 1 127 GLU H 1 127 GLU QG 2.600 . 3.400 2.201 1.822 3.079 . 0 0 "[ . 1 . 2]" 2 281 1 125 PHE QD 1 127 GLU QG 3.900 . 5.800 4.314 2.109 5.536 . 0 0 "[ . 1 . 2]" 2 282 1 125 PHE QE 1 127 GLU QG 4.400 . 6.000 4.385 1.957 5.580 0.043 17 0 "[ . 1 . 2]" 2 283 1 126 ASP HA 1 127 GLU QG 5.000 . 6.000 3.930 3.451 4.822 . 0 0 "[ . 1 . 2]" 2 284 1 127 GLU QB 1 127 GLU QG 2.100 . 2.700 2.068 1.997 2.088 . 0 0 "[ . 1 . 2]" 2 285 1 144 GLU H 1 144 GLU HB2 2.900 . 4.000 3.135 2.293 3.713 . 0 0 "[ . 1 . 2]" 2 286 1 26 LYS HE2 1 26 LYS QG 3.000 . 6.000 2.868 2.237 3.548 . 0 0 "[ . 1 . 2]" 2 287 1 45 VAL MG1 1 88 TYR HH 4.000 . 6.000 3.676 2.352 5.533 . 0 0 "[ . 1 . 2]" 2 288 1 45 VAL H 1 45 VAL MG1 3.900 . 5.800 3.289 1.905 3.827 0.095 5 0 "[ . 1 . 2]" 2 289 1 45 VAL MG1 1 46 CYS H 3.300 . 4.300 2.892 1.989 4.135 . 0 0 "[ . 1 . 2]" 2 290 1 45 VAL MG1 1 108 PHE QE 4.000 . 6.000 3.055 2.187 4.546 . 0 0 "[ . 1 . 2]" 2 291 1 45 VAL MG1 1 46 CYS HB2 3.800 . 5.200 3.477 2.456 4.980 . 0 0 "[ . 1 . 2]" 2 292 1 45 VAL HA 1 45 VAL MG1 2.600 . 3.400 2.625 2.201 3.217 . 0 0 "[ . 1 . 2]" 2 293 1 45 VAL HB 1 45 VAL MG1 2.100 . 2.600 2.121 2.074 2.140 . 0 0 "[ . 1 . 2]" 2 294 1 22 LEU MD2 1 45 VAL MG1 3.500 . 5.000 3.801 2.791 4.514 . 0 0 "[ . 1 . 2]" 2 295 1 95 PRO HA 1 96 THR H 3.300 . 4.400 3.517 3.353 3.629 . 0 0 "[ . 1 . 2]" 2 296 1 14 PRO HA 1 15 ALA H 3.200 . 4.400 3.465 3.195 3.538 . 0 0 "[ . 1 . 2]" 2 297 1 14 PRO HA 1 16 THR H 4.200 . 6.000 4.465 3.934 5.055 . 0 0 "[ . 1 . 2]" 2 298 1 14 PRO HA 1 14 PRO HB3 2.100 . 2.600 2.286 2.268 2.321 . 0 0 "[ . 1 . 2]" 2 299 1 14 PRO HA 1 14 PRO QG 3.400 . 4.900 3.495 3.475 3.532 . 0 0 "[ . 1 . 2]" 2 300 1 14 PRO HA 1 14 PRO HB2 2.600 . 3.500 2.738 2.680 2.798 . 0 0 "[ . 1 . 2]" 2 301 1 112 SER H 1 112 SER HA 3.000 . 4.100 2.838 2.769 2.952 . 0 0 "[ . 1 . 2]" 2 302 1 112 SER HA 1 113 ASP H 3.100 . 4.300 3.354 2.224 3.562 . 0 0 "[ . 1 . 2]" 2 303 1 24 SER HA 1 25 LEU H 3.200 . 4.500 3.386 3.254 3.618 . 0 0 "[ . 1 . 2]" 2 304 1 24 SER HA 1 24 SER HB3 2.900 . 6.000 2.509 2.302 3.041 . 0 0 "[ . 1 . 2]" 2 305 1 146 VAL HA 1 147 PRO HD3 1.800 . 2.200 2.020 1.705 2.205 0.005 13 0 "[ . 1 . 2]" 2 306 1 146 VAL HA 1 147 PRO HD2 1.900 . 2.300 2.285 2.178 2.393 0.093 3 0 "[ . 1 . 2]" 2 307 1 146 VAL HA 1 147 PRO HB3 4.300 . 6.000 5.025 4.700 5.466 . 0 0 "[ . 1 . 2]" 2 308 1 146 VAL HA 1 146 VAL QG 2.200 . 2.800 2.207 2.124 2.378 . 0 0 "[ . 1 . 2]" 2 309 1 28 GLU HA 1 30 GLY H 4.600 . 6.000 5.469 3.938 6.016 0.016 19 0 "[ . 1 . 2]" 2 310 1 28 GLU HA 1 28 GLU QG 2.900 . 4.000 2.871 2.395 3.588 . 0 0 "[ . 1 . 2]" 2 311 1 29 SER HA 1 29 SER HB2 2.400 . 3.100 2.698 2.453 3.037 . 0 0 "[ . 1 . 2]" 2 312 1 15 ALA HA 1 16 THR H 3.300 . 4.700 3.519 3.445 3.589 . 0 0 "[ . 1 . 2]" 2 313 1 15 ALA HA 1 15 ALA MB 2.100 . 2.600 2.131 2.121 2.139 . 0 0 "[ . 1 . 2]" 2 314 1 48 GLU HA 1 58 ALA HA 3.200 . 4.400 3.612 2.536 4.394 . 0 0 "[ . 1 . 2]" 2 315 1 19 LEU H 1 19 LEU HB3 2.800 . 3.800 2.417 2.182 2.604 . 0 0 "[ . 1 . 2]" 2 316 1 73 LEU H 1 73 LEU HB3 2.300 . 3.000 2.444 2.337 2.588 . 0 0 "[ . 1 . 2]" 2 317 1 18 HIS HA 1 19 LEU HB3 4.900 . 6.000 4.503 4.280 4.799 . 0 0 "[ . 1 . 2]" 2 318 1 19 LEU HB3 1 19 LEU QD 3.100 . 4.300 2.205 2.095 2.302 . 0 0 "[ . 1 . 2]" 2 319 1 123 LEU HA 1 123 LEU HB2 2.900 . 4.000 2.964 2.613 3.038 . 0 0 "[ . 1 . 2]" 2 320 1 73 LEU HA 1 73 LEU HB2 2.600 . 3.500 2.432 2.301 2.563 . 0 0 "[ . 1 . 2]" 2 321 1 73 LEU HB2 1 73 LEU QD 2.700 . 3.600 2.370 2.086 2.501 . 0 0 "[ . 1 . 2]" 2 322 1 84 LEU HB3 1 84 LEU MD1 2.900 . 3.900 3.184 3.163 3.203 . 0 0 "[ . 1 . 2]" 2 323 1 20 PHE HB3 1 84 LEU MD1 2.400 . 3.100 2.588 1.985 3.122 0.022 2 0 "[ . 1 . 2]" 2 324 1 20 PHE HB2 1 84 LEU MD1 3.400 . 4.800 2.709 2.335 3.171 . 0 0 "[ . 1 . 2]" 2 325 1 84 LEU HA 1 84 LEU MD1 2.400 . 3.100 2.055 1.966 2.138 . 0 0 "[ . 1 . 2]" 2 326 1 84 LEU MD1 1 141 ALA HA 3.000 . 6.000 4.447 3.877 5.010 . 0 0 "[ . 1 . 2]" 2 327 1 83 VAL HA 1 84 LEU MD1 4.600 . 6.000 5.486 5.233 5.693 . 0 0 "[ . 1 . 2]" 2 328 1 95 PRO HA 1 98 LEU QD 3.500 . 4.800 2.494 1.935 3.093 0.065 17 0 "[ . 1 . 2]" 2 329 1 97 ASP HA 1 98 LEU QD 4.000 . 6.000 4.135 2.707 5.286 . 0 0 "[ . 1 . 2]" 2 330 1 45 VAL MG2 1 108 PHE QE 3.500 . 4.700 2.596 1.785 4.023 0.215 1 0 "[ . 1 . 2]" 2 331 1 20 PHE QD 1 84 LEU MD1 3.500 . 4.700 2.014 1.747 3.141 0.053 11 0 "[ . 1 . 2]" 2 332 1 20 PHE QE 1 84 LEU MD1 2.800 . 4.300 3.609 3.045 4.004 . 0 0 "[ . 1 . 2]" 2 333 1 84 LEU MD1 1 85 LYS H 3.100 . 4.300 2.475 2.194 2.752 . 0 0 "[ . 1 . 2]" 2 334 1 80 GLU H 1 84 LEU MD1 4.000 . 5.800 4.701 4.116 4.989 . 0 0 "[ . 1 . 2]" 2 335 1 84 LEU H 1 84 LEU MD1 3.900 . 5.800 4.123 4.040 4.223 . 0 0 "[ . 1 . 2]" 2 336 1 95 PRO HB3 1 98 LEU QD 3.300 . 4.800 3.908 3.147 4.483 . 0 0 "[ . 1 . 2]" 2 337 1 98 LEU QD 1 99 LYS QB 3.300 . 4.400 4.158 2.980 4.457 0.057 1 0 "[ . 1 . 2]" 2 338 1 45 VAL HA 1 45 VAL MG2 2.600 . 3.400 2.405 2.226 3.171 . 0 0 "[ . 1 . 2]" 2 339 1 84 LEU MD1 1 84 LEU MD2 2.800 . 3.300 2.071 2.050 2.090 . 0 0 "[ . 1 . 2]" 2 340 1 11 VAL MG1 1 84 LEU MD1 2.800 . 3.800 2.298 2.039 2.643 . 0 0 "[ . 1 . 2]" 2 341 1 77 LEU QD 1 84 LEU MD1 2.800 . 4.000 2.061 1.880 2.208 . 0 0 "[ . 1 . 2]" 2 342 1 22 LEU MD1 1 84 LEU MD2 2.600 . 3.400 2.248 1.897 3.108 . 0 0 "[ . 1 . 2]" 2 343 1 52 SER HB2 1 67 THR MG 2.400 . 5.100 3.885 2.632 5.153 0.053 1 0 "[ . 1 . 2]" 2 344 1 23 THR HA 1 23 THR MG 2.400 . 3.100 2.249 2.016 3.154 0.054 11 0 "[ . 1 . 2]" 2 345 1 67 THR HB 1 67 THR MG 2.200 . 2.800 2.144 2.133 2.159 . 0 0 "[ . 1 . 2]" 2 346 1 22 LEU H 1 22 LEU MD1 3.700 . 5.400 3.782 3.516 4.200 . 0 0 "[ . 1 . 2]" 2 347 1 22 LEU MD1 1 108 PHE QD 3.100 . 4.300 3.031 2.839 3.275 . 0 0 "[ . 1 . 2]" 2 348 1 22 LEU MD1 1 108 PHE QE 3.200 . 6.000 2.886 2.645 3.163 . 0 0 "[ . 1 . 2]" 2 349 1 67 THR H 1 67 THR MG 3.100 . 4.300 3.608 2.581 3.901 . 0 0 "[ . 1 . 2]" 2 350 1 123 LEU H 1 123 LEU QD 2.800 . 3.800 2.474 1.967 3.546 0.033 9 0 "[ . 1 . 2]" 2 351 1 59 VAL MG2 1 106 PHE QE 3.900 . 5.100 3.205 2.010 5.083 . 0 0 "[ . 1 . 2]" 2 352 1 62 THR HA 1 67 THR MG 3.500 . 4.700 3.273 2.280 3.934 . 0 0 "[ . 1 . 2]" 2 353 1 67 THR HA 1 67 THR MG 2.500 . 3.300 2.301 2.188 2.429 . 0 0 "[ . 1 . 2]" 2 354 1 23 THR MG 1 24 SER QB 3.600 . 6.000 5.519 3.481 5.891 . 0 0 "[ . 1 . 2]" 2 355 1 26 LYS QE 1 47 ALA MB 3.800 . 5.300 3.759 2.106 5.096 . 0 0 "[ . 1 . 2]" 2 356 1 47 ALA MB 1 75 LYS QE 3.800 . 5.000 4.239 2.894 5.021 0.021 17 0 "[ . 1 . 2]" 2 357 1 123 LEU HB2 1 123 LEU QD 2.000 . 2.500 2.154 2.109 2.368 . 0 0 "[ . 1 . 2]" 2 358 1 12 THR MG 1 13 ASN H 2.600 . 3.400 2.749 2.521 3.175 . 0 0 "[ . 1 . 2]" 2 359 1 83 VAL QG 1 108 PHE H 3.300 . 4.400 2.914 2.602 3.230 . 0 0 "[ . 1 . 2]" 2 360 1 47 ALA MB 1 48 GLU H 2.800 . 3.400 2.640 2.052 3.488 0.088 15 0 "[ . 1 . 2]" 2 361 1 44 ASN HD21 1 47 ALA MB 3.300 . 4.300 3.084 2.586 4.345 0.045 19 0 "[ . 1 . 2]" 2 362 1 47 ALA H 1 47 ALA MB 2.500 . 3.300 2.576 2.268 2.817 . 0 0 "[ . 1 . 2]" 2 363 1 123 LEU QD 1 124 SER H 4.000 . 5.800 3.610 3.506 3.739 . 0 0 "[ . 1 . 2]" 2 364 1 83 VAL HA 1 83 VAL MG2 2.100 . 2.700 2.460 2.354 2.580 . 0 0 "[ . 1 . 2]" 2 365 1 12 THR HB 1 12 THR MG 2.100 . 2.700 2.147 2.138 2.155 . 0 0 "[ . 1 . 2]" 2 366 1 83 VAL QG 1 107 SER HB2 3.300 . 4.500 3.547 1.898 4.254 . 0 0 "[ . 1 . 2]" 2 367 1 12 THR MG 1 17 GLY HA2 3.600 . 4.600 3.841 2.981 4.577 . 0 0 "[ . 1 . 2]" 2 368 1 123 LEU QD 1 135 SER HB2 2.500 . 3.300 2.290 1.876 3.358 0.058 17 0 "[ . 1 . 2]" 2 369 1 26 LYS QD 1 47 ALA MB 3.300 . 5.300 2.575 1.878 3.289 0.022 10 0 "[ . 1 . 2]" 2 370 1 59 VAL H 1 59 VAL MG1 4.000 . 6.000 3.788 2.509 3.922 . 0 0 "[ . 1 . 2]" 2 371 1 83 VAL H 1 83 VAL QG 2.600 . 3.400 2.401 2.022 2.748 . 0 0 "[ . 1 . 2]" 2 372 1 128 GLN H 1 129 THR MG 4.000 . 6.000 4.282 3.769 5.305 . 0 0 "[ . 1 . 2]" 2 373 1 146 VAL H 1 146 VAL QG 2.500 . 3.300 2.188 1.876 2.635 . 0 0 "[ . 1 . 2]" 2 374 1 5 VAL H 1 5 VAL QG 2.400 . 3.100 2.197 1.886 2.687 . 0 0 "[ . 1 . 2]" 2 375 1 121 VAL H 1 121 VAL QG 2.600 . 3.500 2.412 2.178 2.770 . 0 0 "[ . 1 . 2]" 2 376 1 87 VAL H 1 87 VAL MG1 3.200 . 4.500 2.955 2.703 3.178 . 0 0 "[ . 1 . 2]" 2 377 1 87 VAL MG1 1 88 TYR H 3.700 . 5.400 3.876 3.742 4.107 . 0 0 "[ . 1 . 2]" 2 378 1 87 VAL MG1 1 106 PHE H 3.900 . 5.800 3.448 2.760 4.208 . 0 0 "[ . 1 . 2]" 2 379 1 129 THR H 1 129 THR MG 2.400 . 3.100 2.264 1.991 3.112 0.012 14 0 "[ . 1 . 2]" 2 380 1 87 VAL MG1 1 105 TYR QD 3.100 . 4.300 2.525 2.024 3.008 . 0 0 "[ . 1 . 2]" 2 381 1 87 VAL MG1 1 105 TYR QE 3.400 . 4.900 3.020 2.598 4.170 . 0 0 "[ . 1 . 2]" 2 382 1 87 VAL MG1 1 105 TYR HA 2.600 . 3.500 2.387 1.815 3.066 . 0 0 "[ . 1 . 2]" 2 383 1 87 VAL HA 1 87 VAL MG1 2.600 . 3.400 2.327 2.272 2.407 . 0 0 "[ . 1 . 2]" 2 384 1 86 LEU HA 1 87 VAL MG1 4.400 . 6.000 3.761 3.571 3.928 . 0 0 "[ . 1 . 2]" 2 385 1 16 THR HA 1 16 THR MG 2.800 . 3.800 2.288 2.231 2.362 . 0 0 "[ . 1 . 2]" 2 386 1 15 ALA MB 1 16 THR MG 3.300 . 4.800 4.595 2.885 4.828 0.028 16 0 "[ . 1 . 2]" 2 387 1 16 THR H 1 16 THR MG 3.300 . 4.800 3.695 2.591 3.818 . 0 0 "[ . 1 . 2]" 2 388 1 13 ASN QD 1 16 THR MG 3.300 . 4.800 3.654 2.021 4.069 . 0 0 "[ . 1 . 2]" 2 389 1 16 THR MG 1 17 GLY H 3.300 . 4.800 3.810 3.486 4.058 . 0 0 "[ . 1 . 2]" 2 390 1 16 THR MG 1 18 HIS H 4.000 . 5.500 3.026 2.313 4.049 . 0 0 "[ . 1 . 2]" 2 391 1 129 THR HA 1 129 THR MG 2.800 . 3.800 3.189 2.269 3.257 . 0 0 "[ . 1 . 2]" 2 392 1 146 VAL QG 1 147 PRO HD3 3.800 . 5.600 3.426 3.148 3.786 . 0 0 "[ . 1 . 2]" 2 393 1 87 VAL MG1 1 87 VAL MG2 2.200 . 2.800 2.073 2.055 2.095 . 0 0 "[ . 1 . 2]" 2 394 1 87 VAL HB 1 87 VAL MG1 2.100 . 2.600 2.125 2.117 2.145 . 0 0 "[ . 1 . 2]" 2 395 1 5 VAL HB 1 5 VAL QG 1.800 . 2.200 1.895 1.885 1.906 . 0 0 "[ . 1 . 2]" 2 396 1 146 VAL QG 1 148 ARG H 3.300 . 4.500 2.254 1.769 4.209 0.031 20 0 "[ . 1 . 2]" 2 397 1 54 ALA MB 1 55 ASN H 2.800 . 3.300 1.863 1.769 2.436 0.031 19 0 "[ . 1 . 2]" 2 398 1 54 ALA H 1 54 ALA MB 2.500 . 3.300 2.573 2.288 3.062 . 0 0 "[ . 1 . 2]" 2 399 1 136 TRP HE1 1 138 THR MG 4.400 . 6.000 4.115 3.342 5.058 . 0 0 "[ . 1 . 2]" 2 400 1 57 ALA MB 1 58 ALA H 3.500 . 5.000 2.717 2.165 3.235 . 0 0 "[ . 1 . 2]" 2 401 1 138 THR MG 1 139 SER H 4.500 . 6.000 3.816 3.617 4.306 . 0 0 "[ . 1 . 2]" 2 402 1 58 ALA MB 1 73 LEU H 3.900 . 5.800 3.230 2.854 3.619 . 0 0 "[ . 1 . 2]" 2 403 1 58 ALA MB 1 88 TYR QD 3.300 . 4.600 2.705 2.056 3.161 . 0 0 "[ . 1 . 2]" 2 404 1 58 ALA H 1 58 ALA MB 2.600 . 3.500 2.485 2.322 2.630 . 0 0 "[ . 1 . 2]" 2 405 1 138 THR MG 1 141 ALA H 2.300 . 3.000 2.328 1.869 2.794 . 0 0 "[ . 1 . 2]" 2 406 1 136 TRP HD1 1 138 THR MG 3.300 . 4.700 2.989 2.169 4.763 0.063 9 0 "[ . 1 . 2]" 2 407 1 108 PHE QE 1 138 THR MG 2.200 . 6.000 3.925 3.050 4.507 . 0 0 "[ . 1 . 2]" 2 408 1 138 THR HA 1 138 THR MG 3.400 . 4.800 3.225 3.194 3.239 . 0 0 "[ . 1 . 2]" 2 409 1 138 THR MG 1 142 CYS H 4.600 . 6.000 4.385 3.792 5.045 . 0 0 "[ . 1 . 2]" 2 410 1 57 ALA MB 1 59 VAL H 3.300 . 4.700 3.565 2.736 3.997 . 0 0 "[ . 1 . 2]" 2 411 1 54 ALA MB 1 55 ASN HD22 4.300 . 6.000 5.693 3.813 6.219 0.219 19 0 "[ . 1 . 2]" 2 412 1 58 ALA MB 1 72 LYS HA 3.800 . 5.600 3.586 3.069 4.133 . 0 0 "[ . 1 . 2]" 2 413 1 58 ALA HA 1 58 ALA MB 2.300 . 3.000 2.124 2.101 2.133 . 0 0 "[ . 1 . 2]" 2 414 1 58 ALA MB 1 73 LEU HA 2.200 . 2.800 1.802 1.588 2.216 0.012 15 0 "[ . 1 . 2]" 2 415 1 138 THR HB 1 138 THR MG 2.200 . 2.800 2.138 2.117 2.152 . 0 0 "[ . 1 . 2]" 2 416 1 22 LEU MD2 1 138 THR MG 3.300 . 4.300 2.619 2.103 3.195 . 0 0 "[ . 1 . 2]" 2 417 1 41 ILE MG 1 134 PHE QE 3.000 . 4.200 2.885 2.341 3.659 . 0 0 "[ . 1 . 2]" 2 418 1 108 PHE QD 1 138 THR MG 2.500 . 3.300 2.396 1.798 2.884 . 0 0 "[ . 1 . 2]" 2 419 1 138 THR H 1 138 THR MG 2.300 . 3.000 2.290 2.028 2.487 . 0 0 "[ . 1 . 2]" 2 420 1 109 VAL H 1 138 THR MG 3.700 . 5.400 3.464 3.111 4.039 . 0 0 "[ . 1 . 2]" 2 421 1 41 ILE H 1 41 ILE MG 3.800 . 5.600 3.818 3.765 3.857 . 0 0 "[ . 1 . 2]" 2 422 1 41 ILE MG 1 42 GLU H 2.900 . 4.000 3.036 2.727 3.317 . 0 0 "[ . 1 . 2]" 2 423 1 100 MET ME 1 100 MET HG2 2.900 . 4.200 3.156 2.436 3.391 . 0 0 "[ . 1 . 2]" 2 424 1 100 MET ME 1 100 MET HG3 2.400 . 3.100 2.467 2.129 2.702 . 0 0 "[ . 1 . 2]" 2 425 1 100 MET ME 1 129 THR HB 3.000 . 4.500 3.534 1.931 4.551 0.051 9 0 "[ . 1 . 2]" 2 426 1 96 THR HB 1 100 MET ME 4.000 . 6.000 4.731 1.774 6.053 0.053 7 0 "[ . 1 . 2]" 2 427 1 22 LEU MD2 1 25 LEU MD2 3.700 . 5.400 2.695 1.972 4.484 0.028 15 0 "[ . 1 . 2]" 2 428 1 20 PHE QD 1 84 LEU MD2 3.300 . 4.300 3.234 2.591 3.693 . 0 0 "[ . 1 . 2]" 2 429 1 20 PHE QE 1 84 LEU MD2 3.400 . 4.900 4.578 3.555 5.031 0.131 8 0 "[ . 1 . 2]" 2 430 1 25 LEU MD2 1 138 THR MG 3.800 . 5.600 2.835 1.964 4.831 0.036 15 0 "[ . 1 . 2]" 2 431 1 25 LEU MD2 1 140 LEU QD 3.800 . 6.000 3.681 2.217 5.192 . 0 0 "[ . 1 . 2]" 2 432 1 25 LEU MD2 1 45 VAL MG1 3.500 . 5.000 2.929 2.014 5.026 0.026 13 0 "[ . 1 . 2]" 2 433 1 25 LEU MD2 1 108 PHE QE 3.200 . 4.500 2.929 2.074 5.067 0.567 8 1 "[ . + 1 . 2]" 2 434 1 86 LEU MD2 1 108 PHE QE 3.800 . 5.600 3.258 1.976 4.325 0.024 17 0 "[ . 1 . 2]" 2 435 1 123 LEU QD 1 133 TYR QE 4.500 . 6.000 4.977 4.217 5.562 . 0 0 "[ . 1 . 2]" 2 436 1 65 PRO HD3 1 65 PRO HG3 2.400 . 3.100 2.285 2.264 2.326 . 0 0 "[ . 1 . 2]" 2 437 1 65 PRO HD2 1 65 PRO HG3 3.000 . 4.200 2.890 2.754 2.998 . 0 0 "[ . 1 . 2]" 2 438 1 43 LEU QB 1 43 LEU QD 2.400 . 6.000 1.957 1.863 2.110 . 0 0 "[ . 1 . 2]" 2 439 1 33 ILE MD 1 43 LEU QD 3.000 . 4.200 2.203 1.645 3.736 0.155 14 0 "[ . 1 . 2]" 2 440 1 41 ILE QG 1 43 LEU QD 3.800 . 5.400 4.329 3.891 5.214 . 0 0 "[ . 1 . 2]" 2 441 1 31 TYR QD 1 43 LEU QD 3.800 . 5.200 3.255 1.887 4.213 0.113 13 0 "[ . 1 . 2]" 2 442 1 43 LEU QD 1 88 TYR QE 3.700 . 5.400 3.324 2.354 4.167 . 0 0 "[ . 1 . 2]" 2 443 1 43 LEU QD 1 106 PHE QE 3.800 . 5.000 2.063 1.779 2.921 0.221 3 0 "[ . 1 . 2]" 2 444 1 43 LEU HA 1 43 LEU QD 3.700 . 5.500 3.191 2.251 3.436 . 0 0 "[ . 1 . 2]" 2 445 1 43 LEU H 1 43 LEU QD 3.300 . 4.600 2.400 1.992 3.481 0.008 11 0 "[ . 1 . 2]" 2 446 1 43 LEU QD 1 44 ASN H 4.900 . 6.000 3.752 2.883 4.272 . 0 0 "[ . 1 . 2]" 2 447 1 98 LEU H 1 98 LEU HG 2.500 . 3.300 2.797 1.988 3.420 0.120 2 0 "[ . 1 . 2]" 2 448 1 128 GLN HA 1 128 GLN HB3 2.900 . 4.000 3.019 2.974 3.032 . 0 0 "[ . 1 . 2]" 2 449 1 125 PHE QE 1 127 GLU QB 3.400 . 4.800 2.855 1.955 3.818 0.045 12 0 "[ . 1 . 2]" 2 450 1 127 GLU H 1 127 GLU QB 2.700 . 3.600 2.679 2.482 2.828 . 0 0 "[ . 1 . 2]" 2 451 1 14 PRO HB3 1 15 ALA H 4.300 . 6.000 4.275 4.088 4.420 . 0 0 "[ . 1 . 2]" 2 452 1 14 PRO HB3 1 14 PRO QD 3.600 . 5.200 2.884 2.826 3.075 . 0 0 "[ . 1 . 2]" 2 453 1 100 MET HA 1 100 MET HG3 4.000 . 6.000 3.664 3.150 3.918 . 0 0 "[ . 1 . 2]" 2 454 1 100 MET H 1 100 MET HG2 3.100 . 4.300 2.859 2.210 4.166 . 0 0 "[ . 1 . 2]" 2 455 1 80 GLU HA 1 80 GLU HB3 2.700 . 3.600 2.902 2.423 3.044 . 0 0 "[ . 1 . 2]" 2 456 1 89 GLU QB 1 90 ASP H 3.300 . 4.300 2.176 1.766 2.832 0.034 17 0 "[ . 1 . 2]" 2 457 1 89 GLU H 1 89 GLU QB 3.600 . 5.200 2.974 2.432 3.230 . 0 0 "[ . 1 . 2]" 2 458 1 128 GLN H 1 128 GLN HG2 3.700 . 5.400 4.478 4.093 4.661 . 0 0 "[ . 1 . 2]" 2 459 1 66 LYS H 1 66 LYS QB 2.200 . 2.800 2.324 2.170 2.486 . 0 0 "[ . 1 . 2]" 2 460 1 82 GLN H 1 82 GLN HG3 2.800 . 3.800 3.192 2.746 4.004 0.204 17 0 "[ . 1 . 2]" 2 461 1 66 LYS HA 1 66 LYS QB 2.400 . 3.100 2.360 2.290 2.416 . 0 0 "[ . 1 . 2]" 2 462 1 27 ARG HA 1 27 ARG HB3 2.800 . 3.800 2.386 2.286 2.482 . 0 0 "[ . 1 . 2]" 2 463 1 87 VAL HA 1 87 VAL HB 2.800 . 3.800 2.505 2.455 2.566 . 0 0 "[ . 1 . 2]" 2 464 1 128 GLN HA 1 128 GLN HG3 2.500 . 3.300 2.804 2.469 3.174 . 0 0 "[ . 1 . 2]" 2 465 1 128 GLN HA 1 128 GLN HG2 3.200 . 4.500 3.423 2.977 3.834 . 0 0 "[ . 1 . 2]" 2 466 1 27 ARG HB3 1 27 ARG HD3 3.600 . 5.200 3.238 2.290 3.797 . 0 0 "[ . 1 . 2]" 2 467 1 27 ARG HB3 1 30 GLY H 4.400 . 6.000 4.978 3.364 5.508 . 0 0 "[ . 1 . 2]" 2 468 1 96 THR MG 1 128 GLN HG2 4.000 . 6.000 4.215 2.411 5.403 . 0 0 "[ . 1 . 2]" 2 469 1 128 GLN HG3 1 129 THR MG 4.600 . 6.000 4.600 2.717 5.965 . 0 0 "[ . 1 . 2]" 2 470 1 128 GLN HG2 1 129 THR MG 4.500 . 6.000 4.020 1.917 5.376 0.083 14 0 "[ . 1 . 2]" 2 471 1 82 GLN HA 1 82 GLN HG3 3.100 . 4.300 2.976 2.083 3.680 . 0 0 "[ . 1 . 2]" 2 472 1 109 VAL HB 1 110 CYS H 3.600 . 5.200 3.951 3.077 4.126 . 0 0 "[ . 1 . 2]" 2 473 1 109 VAL H 1 109 VAL HB 3.100 . 4.300 3.273 3.036 3.647 . 0 0 "[ . 1 . 2]" 2 474 1 128 GLN QG 1 129 THR HB 3.000 . 4.000 3.470 3.124 4.137 0.137 14 0 "[ . 1 . 2]" 2 475 1 55 ASN HA 1 55 ASN QB 2.500 . 3.300 2.316 2.155 2.450 . 0 0 "[ . 1 . 2]" 2 476 1 48 GLU HA 1 48 GLU QG 3.300 . 4.600 2.940 2.387 3.594 . 0 0 "[ . 1 . 2]" 2 477 1 89 GLU HA 1 89 GLU HG2 3.500 . 5.100 3.674 2.526 4.264 . 0 0 "[ . 1 . 2]" 2 478 1 38 ASN HB3 1 38 ASN HD22 3.700 . 5.400 3.974 3.531 4.087 . 0 0 "[ . 1 . 2]" 2 479 1 55 ASN QB 1 57 ALA H 4.000 . 6.000 4.366 4.089 4.783 . 0 0 "[ . 1 . 2]" 2 480 1 83 VAL HB 1 84 LEU H 4.000 . 5.000 3.885 3.524 4.127 . 0 0 "[ . 1 . 2]" 2 481 1 48 GLU QG 1 73 LEU QD 3.700 . 5.400 3.159 2.282 4.398 . 0 0 "[ . 1 . 2]" 2 482 1 11 VAL HB 1 12 THR H 4.000 . 5.400 4.121 4.006 4.199 . 0 0 "[ . 1 . 2]" 2 483 1 87 VAL MG2 1 89 GLU HG2 3.600 . 5.200 3.770 2.375 4.894 . 0 0 "[ . 1 . 2]" 2 484 1 54 ALA MB 1 55 ASN HB3 5.600 . 6.000 3.844 3.172 4.878 . 0 0 "[ . 1 . 2]" 2 485 1 54 ALA MB 1 55 ASN HB2 5.000 . 6.000 3.581 3.143 4.900 . 0 0 "[ . 1 . 2]" 2 486 1 81 ASP H 1 81 ASP HB2 3.200 . 4.500 3.457 3.029 4.049 . 0 0 "[ . 1 . 2]" 2 487 1 7 ASN H 1 7 ASN HB2 3.000 . 3.900 3.245 2.469 4.125 0.225 18 0 "[ . 1 . 2]" 2 488 1 7 ASN HB3 1 8 ASP H 3.500 . 5.000 3.038 1.885 4.278 0.115 16 0 "[ . 1 . 2]" 2 489 1 7 ASN HB2 1 8 ASP H 3.500 . 4.600 3.471 1.943 4.405 . 0 0 "[ . 1 . 2]" 2 490 1 94 CYS H 1 94 CYS HB3 3.600 . 5.300 3.413 2.352 3.810 . 0 0 "[ . 1 . 2]" 2 491 1 90 ASP H 1 90 ASP HB3 3.900 . 5.800 3.671 3.407 4.148 . 0 0 "[ . 1 . 2]" 2 492 1 7 ASN HB3 1 7 ASN HD21 2.900 . 3.900 2.916 2.231 3.588 . 0 0 "[ . 1 . 2]" 2 493 1 4 ASN HB3 1 4 ASN HD21 2.600 . 3.400 2.639 2.131 3.433 0.033 3 0 "[ . 1 . 2]" 2 494 1 4 ASN HB2 1 4 ASN HD21 2.800 . 3.800 2.357 1.924 3.120 . 0 0 "[ . 1 . 2]" 2 495 1 7 ASN HB3 1 7 ASN HD22 4.100 . 6.000 3.793 3.477 4.086 . 0 0 "[ . 1 . 2]" 2 496 1 88 TYR HB3 1 88 TYR QD 3.200 . 4.500 2.534 2.308 2.734 . 0 0 "[ . 1 . 2]" 2 497 1 4 ASN HA 1 4 ASN HB3 3.000 . 4.100 2.920 2.415 3.064 . 0 0 "[ . 1 . 2]" 2 498 1 81 ASP HA 1 81 ASP HB3 2.400 . 3.100 2.776 2.403 3.065 . 0 0 "[ . 1 . 2]" 2 499 1 81 ASP HA 1 81 ASP HB2 2.700 . 3.600 2.724 2.398 3.053 . 0 0 "[ . 1 . 2]" 2 500 1 90 ASP HA 1 90 ASP HB3 3.000 . 4.100 2.999 2.512 3.046 . 0 0 "[ . 1 . 2]" 2 501 1 113 ASP HA 1 113 ASP HB2 3.000 . 4.100 2.580 2.323 3.039 . 0 0 "[ . 1 . 2]" 2 502 1 72 LYS QG 1 90 ASP HB3 3.000 . 4.100 2.710 1.866 3.930 0.034 9 0 "[ . 1 . 2]" 2 503 1 81 ASP HB2 1 83 VAL QG 3.900 . 5.800 3.746 1.986 5.668 0.014 17 0 "[ . 1 . 2]" 2 504 1 22 LEU QB 1 22 LEU MD2 2.800 . 3.800 2.301 2.232 2.371 . 0 0 "[ . 1 . 2]" 2 505 1 113 ASP HA 1 113 ASP HB3 2.700 . 3.600 2.776 2.374 3.051 . 0 0 "[ . 1 . 2]" 2 506 1 79 TYR QB 1 79 TYR QD 2.900 . 3.800 2.141 2.131 2.156 . 0 0 "[ . 1 . 2]" 2 507 1 20 PHE HB3 1 20 PHE QD 2.900 . 4.000 2.664 2.357 2.766 . 0 0 "[ . 1 . 2]" 2 508 1 20 PHE HB2 1 20 PHE QD 3.100 . 4.300 2.432 2.213 2.732 . 0 0 "[ . 1 . 2]" 2 509 1 113 ASP H 1 113 ASP HB3 3.700 . 5.400 2.881 2.358 3.853 . 0 0 "[ . 1 . 2]" 2 510 1 22 LEU HA 1 22 LEU QB 2.600 . 6.000 2.360 2.324 2.429 . 0 0 "[ . 1 . 2]" 2 511 1 22 LEU H 1 22 LEU QB 3.000 . 6.000 2.455 2.352 2.593 . 0 0 "[ . 1 . 2]" 2 512 1 105 TYR HB2 1 105 TYR QD 2.800 . 6.000 2.409 2.302 2.582 . 0 0 "[ . 1 . 2]" 2 513 1 105 TYR HA 1 105 TYR HB2 2.700 . 6.000 2.968 2.563 3.025 . 0 0 "[ . 1 . 2]" 2 514 1 105 TYR HA 1 105 TYR HB3 2.900 . 6.000 2.540 2.381 3.015 . 0 0 "[ . 1 . 2]" 2 515 1 116 ASP HA 1 116 ASP HB2 2.900 . 3.900 2.466 2.357 3.008 . 0 0 "[ . 1 . 2]" 2 516 1 31 TYR HB2 1 31 TYR QD 2.900 . 4.000 2.388 2.230 2.747 . 0 0 "[ . 1 . 2]" 2 517 1 31 TYR HB3 1 31 TYR QD 3.300 . 4.700 2.439 2.282 2.687 . 0 0 "[ . 1 . 2]" 2 518 1 75 LYS QE 1 75 LYS QG 2.400 . 3.100 2.427 2.147 2.896 . 0 0 "[ . 1 . 2]" 2 519 1 73 LEU QD 1 75 LYS QE 2.800 . 2.800 1.905 1.564 2.380 0.236 11 0 "[ . 1 . 2]" 2 520 1 33 ILE HA 1 33 ILE HB 2.600 . 3.400 2.595 2.421 2.964 . 0 0 "[ . 1 . 2]" 2 521 1 106 PHE HB3 1 106 PHE QD 2.900 . 3.900 2.484 2.288 2.774 . 0 0 "[ . 1 . 2]" 2 522 1 106 PHE HB3 1 108 PHE QE 3.500 . 5.000 2.740 2.340 3.096 . 0 0 "[ . 1 . 2]" 2 523 1 33 ILE HB 1 34 THR H . . 2.300 2.206 1.962 2.391 0.091 8 0 "[ . 1 . 2]" 2 524 1 106 PHE H 1 106 PHE HB3 3.000 . 4.100 3.282 2.740 3.750 . 0 0 "[ . 1 . 2]" 2 525 1 125 PHE HB3 1 134 PHE QE 4.200 . 6.000 5.717 4.805 6.810 0.810 4 1 "[ +. 1 . 2]" 2 526 1 142 CYS H 1 142 CYS HB2 3.200 . 4.500 3.634 2.630 4.007 . 0 0 "[ . 1 . 2]" 2 527 1 60 CYS H 1 60 CYS HB2 3.000 . 4.200 2.850 2.527 3.890 . 0 0 "[ . 1 . 2]" 2 528 1 84 LEU HA 1 84 LEU HB2 2.800 . 3.800 2.481 2.435 2.515 . 0 0 "[ . 1 . 2]" 2 529 1 27 ARG HD2 1 30 GLY H 4.300 . 6.000 4.459 3.545 5.360 . 0 0 "[ . 1 . 2]" 2 530 1 27 ARG HD2 1 27 ARG HE 2.800 . 3.800 2.777 2.465 2.948 . 0 0 "[ . 1 . 2]" 2 531 1 125 PHE HB3 1 125 PHE QD 3.100 . 4.300 2.406 2.259 2.585 . 0 0 "[ . 1 . 2]" 2 532 1 148 ARG QB 1 148 ARG QD 2.800 . 3.800 2.279 2.040 2.853 . 0 0 "[ . 1 . 2]" 2 533 1 148 ARG HA 1 148 ARG QD 4.100 . 6.000 3.739 1.985 4.541 0.015 11 0 "[ . 1 . 2]" 2 534 1 134 PHE HB3 1 135 SER H 2.900 . 4.000 2.925 2.573 3.510 . 0 0 "[ . 1 . 2]" 2 535 1 134 PHE HB2 1 135 SER H 4.200 . 6.000 3.928 3.741 4.284 . 0 0 "[ . 1 . 2]" 2 536 1 134 PHE HB2 1 134 PHE QD 2.900 . 3.900 2.286 2.218 2.622 . 0 0 "[ . 1 . 2]" 2 537 1 134 PHE HB3 1 134 PHE QD 3.000 . 4.100 2.548 2.237 2.695 . 0 0 "[ . 1 . 2]" 2 538 1 10 ARG HD3 1 10 ARG HE 2.700 . 3.600 2.676 2.330 2.934 . 0 0 "[ . 1 . 2]" 2 539 1 10 ARG HD2 1 10 ARG HE 2.800 . 3.800 2.823 2.430 2.951 . 0 0 "[ . 1 . 2]" 2 540 1 64 GLY HA3 1 65 PRO HD2 2.800 . 3.700 2.486 2.164 2.749 . 0 0 "[ . 1 . 2]" 2 541 1 63 ASP HA 1 64 GLY HA3 4.500 . 6.000 4.315 4.216 4.381 . 0 0 "[ . 1 . 2]" 2 542 1 63 ASP HA 1 64 GLY HA2 4.000 . 6.000 4.332 4.174 4.410 . 0 0 "[ . 1 . 2]" 2 543 1 30 GLY HA3 1 31 TYR H 2.600 . 3.400 2.483 2.138 2.877 . 0 0 "[ . 1 . 2]" 2 544 1 64 GLY H 1 64 GLY HA3 2.700 . 3.600 2.852 2.803 2.912 . 0 0 "[ . 1 . 2]" 2 545 1 115 GLY HA3 1 117 ASP H 4.100 . 6.000 3.951 2.916 5.179 . 0 0 "[ . 1 . 2]" 2 546 1 115 GLY HA2 1 117 ASP H 4.500 . 6.000 4.617 3.288 5.451 . 0 0 "[ . 1 . 2]" 2 547 1 77 LEU H 1 77 LEU HB3 2.500 . 3.300 3.002 2.543 3.756 0.456 18 0 "[ . 1 . 2]" 2 548 1 77 LEU HB2 1 78 THR H 3.300 2.200 4.400 4.210 4.037 4.480 0.080 13 0 "[ . 1 . 2]" 2 549 1 77 LEU HB3 1 78 THR H 4.000 . 5.500 3.674 2.833 4.075 . 0 0 "[ . 1 . 2]" 2 550 1 77 LEU HA 1 77 LEU HB2 2.600 . 3.500 2.693 2.500 3.040 . 0 0 "[ . 1 . 2]" 2 551 1 77 LEU HB2 1 77 LEU QD 2.500 . 3.300 2.160 2.095 2.415 . 0 0 "[ . 1 . 2]" 2 552 1 64 GLY HA2 1 65 PRO QB 4.000 . 6.000 4.741 4.650 4.872 . 0 0 "[ . 1 . 2]" 2 553 1 10 ARG HD3 1 10 ARG HG3 2.600 . 3.400 2.591 2.356 3.016 . 0 0 "[ . 1 . 2]" 2 554 1 10 ARG HB2 1 10 ARG HD2 3.700 . 5.400 3.247 2.322 3.768 . 0 0 "[ . 1 . 2]" 2 555 1 11 VAL HB 1 77 LEU HB2 3.800 . 5.100 4.106 2.458 5.120 0.020 15 0 "[ . 1 . 2]" 2 556 1 11 VAL HB 1 77 LEU HB3 3.300 . 4.200 3.171 2.482 4.086 . 0 0 "[ . 1 . 2]" 2 557 1 11 VAL MG1 1 77 LEU HB3 3.500 . 4.800 2.733 2.084 3.372 . 0 0 "[ . 1 . 2]" 2 558 1 77 LEU HB3 1 77 LEU QD 2.700 . 3.600 2.233 2.086 2.290 . 0 0 "[ . 1 . 2]" 2 559 1 68 LEU HB3 1 68 LEU HG 2.900 . 3.900 2.477 2.438 2.498 . 0 0 "[ . 1 . 2]" 2 560 1 68 LEU HB3 1 68 LEU MD2 3.100 . 4.300 2.487 2.270 3.222 . 0 0 "[ . 1 . 2]" 2 561 1 12 THR MG 1 17 GLY HA3 4.200 . 6.000 5.130 4.260 5.953 . 0 0 "[ . 1 . 2]" 2 562 1 64 GLY HA2 1 65 PRO HD3 4.000 . 5.800 3.119 2.884 3.303 . 0 0 "[ . 1 . 2]" 2 563 1 64 GLY HA2 1 65 PRO HD2 4.000 . 6.000 4.009 3.710 4.271 . 0 0 "[ . 1 . 2]" 2 564 1 56 GLY H 1 56 GLY HA2 2.300 . 3.000 2.885 2.813 2.950 . 0 0 "[ . 1 . 2]" 2 565 1 56 GLY HA2 1 57 ALA H 3.300 . 4.800 3.205 3.053 3.514 . 0 0 "[ . 1 . 2]" 2 566 1 86 LEU H 1 86 LEU HB3 3.500 . 5.000 2.953 2.367 3.755 . 0 0 "[ . 1 . 2]" 2 567 1 86 LEU H 1 86 LEU HB2 3.200 . 4.500 3.029 2.355 3.376 . 0 0 "[ . 1 . 2]" 2 568 1 86 LEU HB3 1 108 PHE QE 3.000 . 4.100 2.238 1.769 3.647 0.131 5 0 "[ . 1 . 2]" 2 569 1 86 LEU HB2 1 108 PHE QE 2.800 . 3.800 2.185 1.785 3.138 0.015 14 0 "[ . 1 . 2]" 2 570 1 13 ASN HA 1 14 PRO QD 2.400 . 3.100 1.894 1.804 2.054 . 0 0 "[ . 1 . 2]" 2 571 1 147 PRO HB3 1 147 PRO HD3 3.600 . 5.200 3.500 3.119 4.018 . 0 0 "[ . 1 . 2]" 2 572 1 65 PRO HD3 1 65 PRO HG2 3.000 . 4.100 2.824 2.669 2.953 . 0 0 "[ . 1 . 2]" 2 573 1 147 PRO HB3 1 147 PRO HD2 3.900 . 5.800 3.934 3.878 4.032 . 0 0 "[ . 1 . 2]" 2 574 1 65 PRO HD2 1 65 PRO HG2 2.500 . 3.300 2.281 2.259 2.323 . 0 0 "[ . 1 . 2]" 2 575 1 92 ASP HA 1 93 PRO HD2 2.900 . 4.000 2.512 1.903 3.352 . 0 0 "[ . 1 . 2]" 2 576 1 92 ASP HA 1 93 PRO HD3 2.900 . 4.000 2.039 1.795 2.509 0.005 8 0 "[ . 1 . 2]" 2 577 1 64 GLY H 1 65 PRO HD2 4.600 . 6.000 4.937 4.636 5.228 . 0 0 "[ . 1 . 2]" 2 578 1 146 VAL H 1 147 PRO HD3 4.200 . 6.000 4.209 3.864 4.463 . 0 0 "[ . 1 . 2]" 2 579 1 65 PRO HD2 1 66 LYS H . . 3.600 2.350 1.999 2.583 0.001 6 0 "[ . 1 . 2]" 2 580 1 146 VAL H 1 147 PRO HD2 4.700 . 6.000 4.993 4.800 5.142 . 0 0 "[ . 1 . 2]" 2 581 1 65 PRO HD3 1 66 LYS H 4.300 . 6.000 3.603 3.441 3.810 . 0 0 "[ . 1 . 2]" 2 582 1 146 VAL QG 1 147 PRO HD2 3.400 . 4.900 2.690 2.170 3.167 . 0 0 "[ . 1 . 2]" 2 583 1 84 LEU MD2 1 141 ALA HA 2.800 . 3.800 2.330 1.870 3.154 . 0 0 "[ . 1 . 2]" 2 584 1 94 CYS HA 1 95 PRO HD2 3.000 . 4.200 2.741 2.251 3.133 . 0 0 "[ . 1 . 2]" 2 585 1 94 CYS HA 1 95 PRO HD3 3.300 2.300 3.700 2.284 1.834 2.973 0.466 5 0 "[ . 1 . 2]" 2 586 1 20 PHE QE 1 141 ALA HA 3.600 . 6.000 5.395 2.880 6.109 0.109 8 0 "[ . 1 . 2]" 2 587 1 39 ARG HE 1 65 PRO HD3 4.900 . 6.000 4.760 4.536 5.002 . 0 0 "[ . 1 . 2]" 2 588 1 39 ARG HE 1 65 PRO HD2 4.900 . 6.000 4.903 4.632 5.220 . 0 0 "[ . 1 . 2]" 2 589 1 95 PRO HD3 1 95 PRO HG3 2.700 . 3.600 2.325 2.310 2.353 . 0 0 "[ . 1 . 2]" 2 590 1 33 ILE MG 1 119 GLN HA 4.200 . 6.000 4.588 3.442 5.301 . 0 0 "[ . 1 . 2]" 2 591 1 57 ALA HA 1 58 ALA H 2.300 . 3.000 2.316 2.134 2.630 . 0 0 "[ . 1 . 2]" 2 592 1 49 ALA H 1 58 ALA HA 2.600 . 3.400 2.640 2.122 3.110 . 0 0 "[ . 1 . 2]" 2 593 1 114 ALA H 1 114 ALA HA 2.500 . 3.300 2.650 2.166 2.944 . 0 0 "[ . 1 . 2]" 2 594 1 57 ALA HA 1 59 VAL H 4.000 . 6.000 4.092 3.523 4.659 . 0 0 "[ . 1 . 2]" 2 595 1 57 ALA HA 1 58 ALA MB 4.200 . 6.000 3.945 3.819 4.028 . 0 0 "[ . 1 . 2]" 2 596 1 84 LEU HA 1 85 LYS H 2.200 . 2.800 2.183 2.044 2.284 . 0 0 "[ . 1 . 2]" 2 597 1 60 CYS HA 1 61 ILE H 2.100 . 2.700 2.108 2.021 2.204 . 0 0 "[ . 1 . 2]" 2 598 1 42 GLU HA 1 43 LEU H 2.400 . 3.100 2.192 2.010 2.321 . 0 0 "[ . 1 . 2]" 2 599 1 88 TYR HA 1 88 TYR QD 2.300 . 3.000 2.532 2.050 3.008 0.008 1 0 "[ . 1 . 2]" 2 600 1 86 LEU HA 1 87 VAL H 2.400 . 3.100 2.212 2.056 2.345 . 0 0 "[ . 1 . 2]" 2 601 1 85 LYS HA 1 107 SER HA 2.500 . 3.300 2.704 2.364 2.956 . 0 0 "[ . 1 . 2]" 2 602 1 8 ASP HA 1 9 CYS H 3.300 . 4.500 3.249 2.518 3.606 . 0 0 "[ . 1 . 2]" 2 603 1 68 LEU HA 1 69 ASN H 2.000 . 2.500 2.171 2.069 2.352 . 0 0 "[ . 1 . 2]" 2 604 1 8 ASP H 1 8 ASP HA 2.800 . 3.800 2.886 2.792 2.943 . 0 0 "[ . 1 . 2]" 2 605 1 8 ASP HA 1 8 ASP QB 2.500 . 3.300 2.359 2.167 2.498 . 0 0 "[ . 1 . 2]" 2 606 1 12 THR MG 1 19 LEU HA 3.800 . 4.900 2.721 2.235 3.243 . 0 0 "[ . 1 . 2]" 2 607 1 22 LEU HA 1 22 LEU MD1 3.400 . 6.000 3.852 3.775 3.894 . 0 0 "[ . 1 . 2]" 2 608 1 10 ARG HA 1 77 LEU QD 3.500 . 4.900 2.363 1.934 3.798 0.066 8 0 "[ . 1 . 2]" 2 609 1 10 ARG HA 1 10 ARG HD3 4.800 . 6.000 4.732 2.528 5.537 . 0 0 "[ . 1 . 2]" 2 610 1 10 ARG HA 1 11 VAL H 2.300 . 2.900 2.229 2.074 2.386 . 0 0 "[ . 1 . 2]" 2 611 1 85 LYS HA 1 86 LEU H 2.200 . 2.800 2.160 1.964 2.307 . 0 0 "[ . 1 . 2]" 2 612 1 125 PHE HA 1 125 PHE QD 3.100 . 4.300 2.863 2.213 3.198 . 0 0 "[ . 1 . 2]" 2 613 1 10 ARG HA 1 21 ASP HA 2.800 . 3.700 2.634 2.139 3.584 . 0 0 "[ . 1 . 2]" 2 614 1 85 LYS HA 1 85 LYS QB 2.600 . 3.500 2.365 2.301 2.416 . 0 0 "[ . 1 . 2]" 2 615 1 55 ASN H 1 55 ASN HA 2.100 . 2.700 2.840 2.823 2.858 0.158 14 0 "[ . 1 . 2]" 2 616 1 116 ASP H 1 116 ASP HA 2.600 . 3.500 2.841 2.245 2.966 . 0 0 "[ . 1 . 2]" 2 617 1 116 ASP HA 1 117 ASP H 3.300 . 4.500 3.298 2.036 3.568 . 0 0 "[ . 1 . 2]" 2 618 1 80 GLU HA 1 81 ASP H 2.400 . 2.900 2.155 2.035 2.321 . 0 0 "[ . 1 . 2]" 2 619 1 40 LYS HA 1 41 ILE H 2.200 . 2.800 2.242 2.065 2.364 . 0 0 "[ . 1 . 2]" 2 620 1 66 LYS HA 1 67 THR H 2.000 . 2.500 2.139 1.978 2.329 . 0 0 "[ . 1 . 2]" 2 621 1 81 ASP HA 1 82 GLN H 2.700 . 3.600 2.804 2.171 3.016 . 0 0 "[ . 1 . 2]" 2 622 1 123 LEU HA 1 123 LEU QD 2.800 . 3.800 2.570 1.859 2.881 . 0 0 "[ . 1 . 2]" 2 623 1 137 HIS HA 1 138 THR MG 4.400 . 6.000 3.723 3.563 3.960 . 0 0 "[ . 1 . 2]" 2 624 1 116 ASP HA 1 116 ASP HB3 2.700 . 3.600 2.872 2.394 3.037 . 0 0 "[ . 1 . 2]" 2 625 1 135 SER HA 1 135 SER HB2 2.900 . 3.900 2.690 2.481 3.036 . 0 0 "[ . 1 . 2]" 2 626 1 148 ARG HA 1 148 ARG QB 2.300 . 2.900 2.348 2.176 2.454 . 0 0 "[ . 1 . 2]" 2 627 1 109 VAL QG 1 137 HIS HA 3.100 . 4.300 2.334 2.057 2.665 . 0 0 "[ . 1 . 2]" 2 628 1 107 SER H 1 135 SER HA 2.400 . 3.100 2.705 2.013 3.110 0.010 14 0 "[ . 1 . 2]" 2 629 1 135 SER HA 1 136 TRP H 2.200 . 2.600 2.148 2.054 2.408 . 0 0 "[ . 1 . 2]" 2 630 1 134 PHE HA 1 135 SER H 2.200 . 2.800 2.214 2.124 2.317 . 0 0 "[ . 1 . 2]" 2 631 1 137 HIS HA 1 138 THR H 2.100 . 2.700 2.140 2.061 2.233 . 0 0 "[ . 1 . 2]" 2 632 1 125 PHE HA 1 126 ASP H 2.400 . 3.100 2.150 2.054 2.248 . 0 0 "[ . 1 . 2]" 2 633 1 143 GLU H 1 143 GLU HA 2.800 . 3.800 2.870 2.259 2.941 . 0 0 "[ . 1 . 2]" 2 634 1 143 GLU HA 1 143 GLU HG2 3.500 . 5.000 3.253 2.293 4.217 . 0 0 "[ . 1 . 2]" 2 635 1 143 GLU HA 1 143 GLU QB 2.600 . 3.400 2.243 2.133 2.393 . 0 0 "[ . 1 . 2]" 2 636 1 50 LYS HA 1 51 SER H 3.000 . 5.000 3.161 2.133 3.579 . 0 0 "[ . 1 . 2]" 2 637 1 48 GLU HA 1 49 ALA H 2.400 . 2.600 2.220 2.107 2.311 . 0 0 "[ . 1 . 2]" 2 638 1 18 HIS HA 1 19 LEU H 2.200 . 2.800 2.191 1.987 2.426 . 0 0 "[ . 1 . 2]" 2 639 1 74 SER HA 1 75 LYS H 2.300 . 2.900 2.164 2.011 2.251 . 0 0 "[ . 1 . 2]" 2 640 1 108 PHE HA 1 109 VAL H 2.200 . 2.800 2.049 2.006 2.095 . 0 0 "[ . 1 . 2]" 2 641 1 110 CYS HA 1 111 LYS H 2.200 . 2.500 2.123 2.001 2.275 . 0 0 "[ . 1 . 2]" 2 642 1 48 GLU HA 1 58 ALA MB 3.800 . 5.600 3.642 2.730 4.353 . 0 0 "[ . 1 . 2]" 2 643 1 18 HIS HA 1 19 LEU HB3 5.000 . 6.000 4.420 4.213 4.683 . 0 0 "[ . 1 . 2]" 2 644 1 18 HIS HA 1 19 LEU HB2 4.500 . 6.000 4.387 4.123 4.639 . 0 0 "[ . 1 . 2]" 2 645 1 48 GLU HA 1 48 GLU HB2 2.500 . 3.300 2.801 2.452 3.077 . 0 0 "[ . 1 . 2]" 2 646 1 48 GLU HA 1 48 GLU HB3 3.000 . 4.100 2.406 2.334 2.527 . 0 0 "[ . 1 . 2]" 2 647 1 110 CYS HA 1 110 CYS HB3 2.700 . 3.600 2.412 2.171 3.026 . 0 0 "[ . 1 . 2]" 2 648 1 148 ARG HA 1 148 ARG QG 2.800 . 3.800 2.690 2.425 3.380 . 0 0 "[ . 1 . 2]" 2 649 1 73 LEU HA 1 74 SER H 2.100 . 2.600 2.057 1.971 2.255 . 0 0 "[ . 1 . 2]" 2 650 1 72 LYS HA 1 73 LEU H 2.700 . 3.600 2.473 2.332 2.647 . 0 0 "[ . 1 . 2]" 2 651 1 99 LYS HA 1 99 LYS QG 2.400 . 3.200 2.812 2.346 3.317 0.117 6 0 "[ . 1 . 2]" 2 652 1 99 LYS HA 1 99 LYS QB 2.200 . 2.800 2.312 2.142 2.434 . 0 0 "[ . 1 . 2]" 2 653 1 122 PHE H 1 122 PHE HA 2.900 . 3.900 2.879 2.808 2.912 . 0 0 "[ . 1 . 2]" 2 654 1 122 PHE HA 1 123 LEU H 2.200 . 2.800 2.121 2.047 2.227 . 0 0 "[ . 1 . 2]" 2 655 1 127 GLU HA 1 128 GLN H 3.600 . 4.600 3.293 3.167 3.468 . 0 0 "[ . 1 . 2]" 2 656 1 82 GLN H 1 82 GLN HA 2.200 . 2.800 2.195 2.087 2.250 . 0 0 "[ . 1 . 2]" 2 657 1 124 SER HA 1 134 PHE QE 4.200 . 6.000 5.956 5.710 6.107 0.107 6 0 "[ . 1 . 2]" 2 658 1 124 SER HA 1 124 SER QB 2.400 . 3.100 2.288 2.179 2.448 . 0 0 "[ . 1 . 2]" 2 659 1 82 GLN HA 1 82 GLN HB3 2.600 . 3.400 2.562 2.422 3.005 . 0 0 "[ . 1 . 2]" 2 660 1 82 GLN HA 1 82 GLN HG2 2.500 . 3.300 2.533 2.248 3.013 . 0 0 "[ . 1 . 2]" 2 661 1 29 SER HA 1 50 LYS HB2 3.000 . 4.200 3.165 1.994 4.291 0.091 3 0 "[ . 1 . 2]" 2 662 1 99 LYS HA 1 99 LYS QD 3.300 . 4.700 3.885 1.987 4.514 . 0 0 "[ . 1 . 2]" 2 663 1 122 PHE HA 1 122 PHE HB2 2.700 . 3.600 2.466 2.398 2.521 . 0 0 "[ . 1 . 2]" 2 664 1 45 VAL HA 1 46 CYS H 2.700 . 3.600 2.425 2.008 3.595 . 0 0 "[ . 1 . 2]" 2 665 1 11 VAL HA 1 12 THR H 2.400 . 3.000 2.242 2.074 2.484 . 0 0 "[ . 1 . 2]" 2 666 1 53 CYS H 1 53 CYS HA 3.000 . 4.100 2.866 2.789 2.932 . 0 0 "[ . 1 . 2]" 2 667 1 76 THR HA 1 77 LEU H 2.300 . 2.900 2.248 2.069 2.450 . 0 0 "[ . 1 . 2]" 2 668 1 120 PRO HA 1 121 VAL H 2.400 . 3.100 2.194 2.118 2.282 . 0 0 "[ . 1 . 2]" 2 669 1 139 SER HA 1 139 SER HB3 2.600 . 3.400 2.464 2.265 3.043 . 0 0 "[ . 1 . 2]" 2 670 1 53 CYS HA 1 53 CYS HB3 3.000 . 4.100 2.519 2.327 3.028 . 0 0 "[ . 1 . 2]" 2 671 1 120 PRO HA 1 121 VAL HB 4.400 . 6.000 4.667 4.549 4.771 . 0 0 "[ . 1 . 2]" 2 672 1 120 PRO HA 1 120 PRO HB3 2.700 . 3.600 2.252 2.200 2.330 . 0 0 "[ . 1 . 2]" 2 673 1 135 SER HA 1 135 SER HB3 2.500 . 3.300 2.794 2.412 3.053 . 0 0 "[ . 1 . 2]" 2 674 1 74 SER HA 1 74 SER QB 3.000 . 4.100 2.339 2.178 2.448 . 0 0 "[ . 1 . 2]" 2 675 1 135 SER H 1 135 SER HB2 2.900 . 3.900 2.986 2.603 3.832 . 0 0 "[ . 1 . 2]" 2 676 1 135 SER H 1 135 SER HB3 3.300 . 4.600 3.104 2.498 3.867 . 0 0 "[ . 1 . 2]" 2 677 1 74 SER QB 1 75 LYS H 4.500 . 6.000 3.678 3.328 3.981 . 0 0 "[ . 1 . 2]" 2 678 1 74 SER QB 1 88 TYR QD 3.600 . 5.200 3.013 1.986 4.422 0.014 19 0 "[ . 1 . 2]" 2 679 1 51 SER HB3 1 52 SER H 3.600 . 5.200 3.270 2.149 4.415 . 0 0 "[ . 1 . 2]" 2 680 1 123 LEU QD 1 135 SER HB3 2.500 . 3.300 2.794 1.902 3.372 0.072 15 0 "[ . 1 . 2]" 2 681 1 109 VAL QG 1 135 SER HB3 4.000 . 6.000 3.673 2.399 4.782 . 0 0 "[ . 1 . 2]" 2 682 1 130 CYS HA 1 131 THR H 3.300 . 4.700 2.612 2.137 2.910 . 0 0 "[ . 1 . 2]" 2 683 1 129 THR H 1 130 CYS HA 5.000 . 6.000 2.581 2.129 2.856 . 0 0 "[ . 1 . 2]" 2 684 1 130 CYS HA 1 130 CYS HB3 3.000 . 4.100 2.504 2.409 2.600 . 0 0 "[ . 1 . 2]" 2 685 1 9 CYS HA 1 9 CYS HB2 2.900 . 3.900 2.525 2.390 3.026 . 0 0 "[ . 1 . 2]" 2 686 1 9 CYS H 1 9 CYS HA 2.600 . 3.400 2.291 2.181 2.864 . 0 0 "[ . 1 . 2]" 2 687 1 109 VAL HA 1 110 CYS H 2.400 . 2.900 2.193 2.010 2.391 . 0 0 "[ . 1 . 2]" 2 688 1 34 THR HA 1 41 ILE H 3.500 . 5.000 2.835 1.995 3.353 0.005 16 0 "[ . 1 . 2]" 2 689 1 34 THR H 1 34 THR HA 2.600 . 3.500 2.912 2.883 2.936 . 0 0 "[ . 1 . 2]" 2 690 1 12 THR HA 1 19 LEU HA 3.000 . 3.800 2.079 1.786 2.698 0.014 20 0 "[ . 1 . 2]" 2 691 1 8 ASP HA 1 9 CYS HA 4.500 . 6.000 4.975 4.498 5.362 . 0 0 "[ . 1 . 2]" 2 692 1 12 THR HA 1 12 THR MG 2.800 . 3.700 2.308 2.246 2.364 . 0 0 "[ . 1 . 2]" 2 693 1 33 ILE HB 1 34 THR HA 4.300 . 6.000 4.296 4.052 4.482 . 0 0 "[ . 1 . 2]" 2 694 1 94 CYS H 1 94 CYS HA 2.800 . 3.800 2.879 2.797 2.931 . 0 0 "[ . 1 . 2]" 2 695 1 72 LYS HA 1 72 LYS QB 2.500 . 3.300 2.184 2.165 2.204 . 0 0 "[ . 1 . 2]" 2 696 1 126 ASP HA 1 127 GLU QB 4.900 . 6.000 4.429 4.194 4.671 . 0 0 "[ . 1 . 2]" 2 697 1 122 PHE HA 1 123 LEU QD 4.000 . 6.000 3.393 2.910 4.833 . 0 0 "[ . 1 . 2]" 2 698 1 127 GLU H 1 127 GLU HA 2.800 . 3.800 2.890 2.819 2.934 . 0 0 "[ . 1 . 2]" 2 699 1 125 PHE QD 1 127 GLU HA 3.900 . 5.800 4.027 3.468 4.800 . 0 0 "[ . 1 . 2]" 2 700 1 125 PHE QE 1 127 GLU HA 2.700 . 3.600 3.136 2.623 3.727 0.127 3 0 "[ . 1 . 2]" 2 701 1 124 SER HA 1 125 PHE H 2.200 . 2.800 2.241 2.144 2.416 . 0 0 "[ . 1 . 2]" 2 702 1 52 SER H 1 52 SER HA 2.800 . 3.800 2.751 2.179 2.953 . 0 0 "[ . 1 . 2]" 2 703 1 122 PHE HA 1 135 SER H 3.500 . 5.000 3.311 2.587 3.927 . 0 0 "[ . 1 . 2]" 2 704 1 104 SER HA 1 105 TYR H 2.500 . 3.300 2.153 2.076 2.305 . 0 0 "[ . 1 . 2]" 2 705 1 122 PHE HA 1 134 PHE HA 2.900 . 4.000 2.414 2.026 2.784 . 0 0 "[ . 1 . 2]" 2 706 1 126 ASP HA 1 127 GLU HA 4.700 . 6.000 4.354 4.260 4.431 . 0 0 "[ . 1 . 2]" 2 707 1 81 ASP HA 1 82 GLN HA 4.500 . 6.000 4.758 4.312 4.950 . 0 0 "[ . 1 . 2]" 2 708 1 127 GLU HA 1 127 GLU QB 2.200 . 2.800 2.194 2.156 2.352 . 0 0 "[ . 1 . 2]" 2 709 1 29 SER HA 1 30 GLY H 3.500 . 4.800 3.544 3.495 3.608 . 0 0 "[ . 1 . 2]" 2 710 1 118 SER HA 1 118 SER QB 2.400 . 3.100 2.341 2.157 2.525 . 0 0 "[ . 1 . 2]" 2 711 1 118 SER HA 1 119 GLN H 2.800 . 3.300 2.237 2.047 2.797 . 0 0 "[ . 1 . 2]" 2 712 1 36 SER H 1 36 SER HA 2.900 . 4.000 2.742 2.608 2.907 . 0 0 "[ . 1 . 2]" 2 713 1 100 MET ME 1 129 THR HA 3.300 . 4.700 3.791 1.982 4.746 0.046 16 0 "[ . 1 . 2]" 2 714 1 121 VAL HA 1 122 PHE H 2.100 . 2.600 2.137 2.092 2.264 . 0 0 "[ . 1 . 2]" 2 715 1 16 THR H 1 16 THR HA 2.800 . 3.800 2.888 2.845 2.937 . 0 0 "[ . 1 . 2]" 2 716 1 109 VAL H 1 109 VAL HA 2.700 . 3.600 2.912 2.895 2.936 . 0 0 "[ . 1 . 2]" 2 717 1 83 VAL HA 1 84 LEU H 2.400 . 3.000 2.333 2.095 2.530 . 0 0 "[ . 1 . 2]" 2 718 1 16 THR HA 1 17 GLY H 3.800 . 5.300 3.527 3.447 3.576 . 0 0 "[ . 1 . 2]" 2 719 1 121 VAL HA 1 121 VAL QG 2.300 . 2.900 2.161 2.145 2.184 . 0 0 "[ . 1 . 2]" 2 720 1 83 VAL HA 1 83 VAL QG 2.300 . 3.000 2.208 2.153 2.391 . 0 0 "[ . 1 . 2]" 2 721 1 109 VAL HA 1 109 VAL HB 2.700 . 3.600 2.398 2.325 2.672 . 0 0 "[ . 1 . 2]" 2 722 1 11 VAL HA 1 11 VAL HB 2.400 . 3.100 2.493 2.447 2.531 . 0 0 "[ . 1 . 2]" 2 723 1 59 VAL HA 1 60 CYS H 2.400 . 3.100 2.121 2.037 2.197 . 0 0 "[ . 1 . 2]" 2 724 1 32 THR HA 1 32 THR HB 3.000 . 4.100 2.553 2.404 3.038 . 0 0 "[ . 1 . 2]" 2 725 1 111 LYS H 1 139 SER HA 2.800 . 3.800 3.122 2.336 3.804 0.004 18 0 "[ . 1 . 2]" 2 726 1 32 THR HA 1 33 ILE H 2.200 . 2.800 1.873 1.778 2.050 . 0 0 "[ . 1 . 2]" 2 727 1 52 SER H 1 52 SER HB3 3.400 . 4.900 3.691 2.889 4.076 . 0 0 "[ . 1 . 2]" 2 728 1 52 SER H 1 52 SER HB2 3.100 . 4.300 2.917 2.408 3.661 . 0 0 "[ . 1 . 2]" 2 729 1 112 SER HB2 1 113 ASP H 3.800 . 5.600 3.304 2.476 4.334 . 0 0 "[ . 1 . 2]" 2 730 1 65 PRO HA 1 65 PRO HB3 2.800 . 3.300 2.300 2.263 2.329 . 0 0 "[ . 1 . 2]" 2 731 1 96 THR H 1 96 THR HA 2.500 . 3.300 2.818 2.755 2.926 . 0 0 "[ . 1 . 2]" 2 732 1 118 SER HB3 1 119 GLN H 3.800 . 5.600 3.898 2.298 4.504 . 0 0 "[ . 1 . 2]" 2 733 1 118 SER HB2 1 119 GLN H 3.800 . 5.600 4.192 3.271 4.620 . 0 0 "[ . 1 . 2]" 2 734 1 118 SER H 1 118 SER HB3 3.300 . 5.100 3.787 3.074 4.108 . 0 0 "[ . 1 . 2]" 2 735 1 118 SER H 1 118 SER HB2 3.300 . 5.100 3.417 2.445 4.128 . 0 0 "[ . 1 . 2]" 2 736 1 118 SER HB2 1 136 TRP HD1 4.500 . 6.000 4.573 2.468 6.482 0.482 2 0 "[ . 1 . 2]" 2 737 1 118 SER HB2 1 136 TRP HE1 4.000 . 6.000 2.984 1.974 4.251 . 0 0 "[ . 1 . 2]" 2 738 1 118 SER HB3 1 136 TRP HE1 4.000 . 6.000 2.674 1.982 3.933 . 0 0 "[ . 1 . 2]" 2 739 1 93 PRO HA 1 94 CYS H 2.800 . 3.900 2.221 2.067 2.813 . 0 0 "[ . 1 . 2]" 2 740 1 124 SER H 1 124 SER QB 3.600 . 4.800 3.131 2.719 3.379 . 0 0 "[ . 1 . 2]" 2 741 1 107 SER HA 1 107 SER HB3 3.000 . 4.100 2.517 2.303 3.034 . 0 0 "[ . 1 . 2]" 2 742 1 96 THR HA 1 96 THR MG 2.600 . 2.800 2.241 2.144 2.434 . 0 0 "[ . 1 . 2]" 2 743 1 107 SER HB3 1 109 VAL QG 3.700 . 5.400 4.117 3.478 5.225 . 0 0 "[ . 1 . 2]" 2 744 1 107 SER HB2 1 109 VAL QG 3.700 . 5.400 4.110 3.638 5.092 . 0 0 "[ . 1 . 2]" 2 745 1 114 ALA MB 1 118 SER QB 3.800 . 5.400 3.810 2.190 5.313 . 0 0 "[ . 1 . 2]" 2 746 1 147 PRO HA 1 147 PRO QG 3.600 . 5.200 3.387 2.968 3.550 . 0 0 "[ . 1 . 2]" 2 747 1 95 PRO HA 1 98 LEU QD 3.000 . 4.000 2.507 1.936 3.156 . 0 0 "[ . 1 . 2]" 2 748 1 11 VAL MG2 1 12 THR HB 4.400 . 6.000 3.695 3.493 3.977 . 0 0 "[ . 1 . 2]" 2 749 1 32 THR HB 1 32 THR MG 2.400 . 3.100 2.133 2.110 2.151 . 0 0 "[ . 1 . 2]" 2 750 1 76 THR HA 1 76 THR HB 3.000 . 4.200 2.727 2.416 3.037 . 0 0 "[ . 1 . 2]" 2 751 1 12 THR HA 1 12 THR HB 3.000 . 4.100 3.029 3.013 3.040 . 0 0 "[ . 1 . 2]" 2 752 1 12 THR H 1 12 THR HB 2.500 . 3.300 2.608 2.535 2.759 . 0 0 "[ . 1 . 2]" 2 753 1 32 THR H 1 32 THR HB 3.000 . 4.100 3.149 2.641 3.793 . 0 0 "[ . 1 . 2]" 2 754 1 67 THR H 1 67 THR HB 2.700 . 3.600 2.786 2.422 3.618 0.018 4 0 "[ . 1 . 2]" 2 755 1 11 VAL HA 1 12 THR HB 4.600 . 6.000 4.739 4.610 4.845 . 0 0 "[ . 1 . 2]" 2 756 1 67 THR HA 1 67 THR HB 2.700 . 3.600 2.933 2.497 3.035 . 0 0 "[ . 1 . 2]" 2 757 1 16 THR HB 1 18 HIS H 2.700 . 3.600 2.284 2.075 2.917 . 0 0 "[ . 1 . 2]" 2 758 1 67 THR HB 1 68 LEU H 3.400 . 4.800 4.121 2.753 4.379 . 0 0 "[ . 1 . 2]" 2 759 1 22 LEU MD1 1 22 LEU HG 2.400 . 3.100 2.115 2.105 2.128 . 0 0 "[ . 1 . 2]" 2 760 1 98 LEU HA 1 98 LEU HG 3.200 . 4.500 3.059 2.638 3.765 . 0 0 "[ . 1 . 2]" 2 761 1 95 PRO HA 1 98 LEU HG 4.300 . 6.000 3.533 2.343 6.062 0.062 2 0 "[ . 1 . 2]" 2 762 1 98 LEU HG 1 99 LYS H 4.000 . 6.000 4.035 2.798 4.966 . 0 0 "[ . 1 . 2]" 2 763 1 43 LEU HB2 1 43 LEU QD 3.300 . 4.700 2.166 2.069 2.334 . 0 0 "[ . 1 . 2]" 2 764 1 43 LEU HB3 1 43 LEU QD 3.200 . 4.500 2.238 2.029 2.469 . 0 0 "[ . 1 . 2]" 2 765 1 68 LEU HA 1 68 LEU HG 3.500 . 5.000 3.321 3.064 3.843 . 0 0 "[ . 1 . 2]" 2 766 1 84 LEU HA 1 84 LEU HG 3.200 . 4.400 3.138 3.032 3.241 . 0 0 "[ . 1 . 2]" 2 767 1 22 LEU HG 1 77 LEU MD2 3.600 . 5.300 2.765 2.106 5.069 . 0 0 "[ . 1 . 2]" 2 768 1 84 LEU MD1 1 108 PHE QD 4.500 . 6.000 4.260 3.836 4.954 . 0 0 "[ . 1 . 2]" 2 769 1 22 LEU MD1 1 138 THR MG 3.500 . 5.000 3.880 3.232 4.275 . 0 0 "[ . 1 . 2]" 2 770 1 96 THR H 1 96 THR HB 2.300 . 3.000 2.892 2.402 3.200 0.200 12 0 "[ . 1 . 2]" 2 771 1 27 ARG HB3 1 27 ARG HD2 2.900 . 4.000 2.637 2.245 3.654 . 0 0 "[ . 1 . 2]" 2 772 1 27 ARG HD2 1 27 ARG HG3 2.900 . 3.900 2.823 2.427 3.019 . 0 0 "[ . 1 . 2]" 2 773 1 27 ARG HD2 1 27 ARG HG2 2.800 . 3.700 2.587 2.373 3.022 . 0 0 "[ . 1 . 2]" 2 774 1 27 ARG HB2 1 27 ARG HD2 3.200 . 4.500 3.113 2.443 3.767 . 0 0 "[ . 1 . 2]" 2 775 1 74 SER HA 1 75 LYS QB 4.400 . 6.000 4.277 3.894 4.714 . 0 0 "[ . 1 . 2]" 2 776 1 51 SER H 1 51 SER HB2 4.000 . 6.000 2.868 2.438 3.494 . 0 0 "[ . 1 . 2]" 2 777 1 104 SER H 1 104 SER HB2 3.600 . 6.000 2.900 2.388 3.814 . 0 0 "[ . 1 . 2]" 2 778 1 120 PRO HG2 1 136 TRP HB2 4.700 . 6.000 6.022 5.170 6.759 0.759 14 4 "[ .* 1 * +.- 2]" 2 779 1 132 SER HA 1 133 TYR H 2.600 . 3.400 2.232 2.149 2.346 . 0 0 "[ . 1 . 2]" 2 780 1 60 CYS HA 1 70 ALA H 3.900 . 5.800 2.914 2.170 3.685 . 0 0 "[ . 1 . 2]" 2 781 1 72 LYS QB 1 72 LYS QG 2.900 . 3.800 2.085 2.069 2.095 . 0 0 "[ . 1 . 2]" 2 782 1 58 ALA MB 1 73 LEU HB3 4.600 . 6.000 3.767 3.352 4.077 . 0 0 "[ . 1 . 2]" 2 783 1 58 ALA MB 1 73 LEU HB2 2.800 . 3.800 2.504 1.841 3.002 . 0 0 "[ . 1 . 2]" 2 784 1 19 LEU HB2 1 20 PHE H 5.100 . 6.000 4.286 4.016 4.462 . 0 0 "[ . 1 . 2]" 2 785 1 2 LYS HA 1 2 LYS QB 2.600 . 3.500 2.304 2.140 2.445 . 0 0 "[ . 1 . 2]" 2 786 1 25 LEU H 1 25 LEU MD2 4.800 . 6.000 4.022 2.815 4.413 . 0 0 "[ . 1 . 2]" 2 787 1 77 LEU QD 1 86 LEU H 4.500 . 6.000 4.589 3.679 5.983 . 0 0 "[ . 1 . 2]" 2 788 1 60 CYS HA 1 61 ILE MD 5.000 . 6.000 4.305 4.051 4.547 . 0 0 "[ . 1 . 2]" 2 789 1 12 THR HA 1 20 PHE H 3.100 . 3.900 2.817 2.350 3.370 . 0 0 "[ . 1 . 2]" 2 790 1 12 THR HA 1 20 PHE QD 3.800 . 5.600 4.695 3.422 5.267 . 0 0 "[ . 1 . 2]" 2 791 1 11 VAL H 1 11 VAL HA 2.700 . 3.600 2.894 2.844 2.937 . 0 0 "[ . 1 . 2]" 2 792 1 13 ASN HA 1 15 ALA MB 4.700 . 6.000 4.777 4.479 5.055 . 0 0 "[ . 1 . 2]" 2 793 1 13 ASN HA 1 14 PRO QG 4.800 . 6.000 3.800 3.709 3.957 . 0 0 "[ . 1 . 2]" 2 794 1 22 LEU H 1 22 LEU HA 2.900 . 3.900 2.913 2.872 2.951 . 0 0 "[ . 1 . 2]" 2 795 1 43 LEU HA 1 60 CYS H 4.000 . 5.500 3.210 2.797 3.607 . 0 0 "[ . 1 . 2]" 2 796 1 43 LEU HA 1 59 VAL HA 3.000 . 4.100 2.512 2.036 3.238 . 0 0 "[ . 1 . 2]" 2 797 1 43 LEU HA 1 44 ASN HA 4.500 . 6.000 4.378 4.241 4.562 . 0 0 "[ . 1 . 2]" 2 798 1 43 LEU HA 1 43 LEU HB3 2.900 . 3.900 2.351 2.236 2.497 . 0 0 "[ . 1 . 2]" 2 799 1 48 GLU HA 1 73 LEU QD 4.700 . 6.000 2.726 2.115 3.290 . 0 0 "[ . 1 . 2]" 2 800 1 54 ALA H 1 54 ALA HA 2.600 . 3.400 2.831 2.174 2.930 . 0 0 "[ . 1 . 2]" 2 801 1 54 ALA HA 1 55 ASN H 2.800 . 3.800 3.547 3.505 3.611 . 0 0 "[ . 1 . 2]" 2 802 1 73 LEU HA 1 88 TYR QD 4.000 . 6.000 3.108 2.278 4.051 . 0 0 "[ . 1 . 2]" 2 803 1 24 SER QB 1 140 LEU QD 3.700 . 5.500 2.320 1.855 3.328 0.045 8 0 "[ . 1 . 2]" 2 804 1 47 ALA H 1 73 LEU QD 2.900 . 6.000 2.889 2.343 4.146 . 0 0 "[ . 1 . 2]" 2 805 1 79 TYR HA 1 79 TYR QB 3.200 . 4.400 2.198 2.179 2.220 . 0 0 "[ . 1 . 2]" 2 806 1 79 TYR QB 1 84 LEU MD1 4.600 . 6.000 2.897 2.055 4.032 . 0 0 "[ . 1 . 2]" 2 807 1 123 LEU HA 1 124 SER H 4.100 . 6.000 3.539 3.487 3.581 . 0 0 "[ . 1 . 2]" 2 808 1 81 ASP HA 1 83 VAL H 4.100 . 6.000 4.226 4.074 4.420 . 0 0 "[ . 1 . 2]" 2 809 1 81 ASP HB3 1 83 VAL QG 3.900 . 5.800 3.352 2.059 4.842 . 0 0 "[ . 1 . 2]" 2 810 1 81 ASP HB2 1 83 VAL H 3.900 . 5.800 4.141 2.902 5.353 . 0 0 "[ . 1 . 2]" 2 811 1 81 ASP HB3 1 83 VAL H 4.500 . 6.000 3.880 2.941 5.117 . 0 0 "[ . 1 . 2]" 2 812 1 81 ASP HB2 1 82 GLN H 4.000 . 6.000 4.325 3.887 4.611 . 0 0 "[ . 1 . 2]" 2 813 1 81 ASP HB3 1 82 GLN H 4.200 . 6.000 4.308 3.783 4.680 . 0 0 "[ . 1 . 2]" 2 814 1 80 GLU HA 1 81 ASP HB2 4.500 . 6.000 4.818 4.428 5.997 . 0 0 "[ . 1 . 2]" 2 815 1 81 ASP H 1 82 GLN HA 5.500 . 6.000 4.700 4.379 5.568 . 0 0 "[ . 1 . 2]" 2 816 1 84 LEU HA 1 85 LYS QG 3.700 . 5.400 3.869 3.470 5.500 0.100 5 0 "[ . 1 . 2]" 2 817 1 125 PHE HA 1 132 SER HA 3.100 . 4.300 2.279 2.052 2.605 . 0 0 "[ . 1 . 2]" 2 818 1 86 LEU HA 1 86 LEU MD2 3.100 . 4.300 3.119 1.861 3.921 0.039 8 0 "[ . 1 . 2]" 2 819 1 86 LEU HB3 1 106 PHE HB2 4.000 . 6.000 2.971 1.739 4.809 0.261 19 0 "[ . 1 . 2]" 2 820 1 86 LEU HB2 1 106 PHE HB2 4.800 . 6.000 4.147 1.770 5.756 0.130 8 0 "[ . 1 . 2]" 2 821 1 86 LEU HB3 1 87 VAL H 4.200 . 6.000 3.853 2.812 4.310 . 0 0 "[ . 1 . 2]" 2 822 1 86 LEU HB2 1 87 VAL H 4.900 . 6.000 4.271 3.999 4.491 . 0 0 "[ . 1 . 2]" 2 823 1 86 LEU HB3 1 106 PHE H 4.200 . 6.000 4.049 3.469 4.862 . 0 0 "[ . 1 . 2]" 2 824 1 20 PHE HB2 1 77 LEU QD 4.500 . 6.000 3.276 2.586 4.050 . 0 0 "[ . 1 . 2]" 2 825 1 86 LEU HB3 1 86 LEU MD2 2.700 . 3.600 2.403 2.262 3.205 . 0 0 "[ . 1 . 2]" 2 826 1 87 VAL HB 1 88 TYR H 4.000 . 6.000 3.301 2.842 3.897 . 0 0 "[ . 1 . 2]" 2 827 1 85 LYS QD 1 87 VAL MG1 3.700 . 5.400 4.366 2.871 5.082 . 0 0 "[ . 1 . 2]" 2 828 1 85 LYS HA 1 87 VAL MG1 5.000 . 6.000 5.018 4.328 5.579 . 0 0 "[ . 1 . 2]" 2 829 1 87 VAL MG2 1 88 TYR HA 4.200 . 6.000 4.071 3.590 4.446 . 0 0 "[ . 1 . 2]" 2 830 1 88 TYR H 1 88 TYR HB3 4.300 . 6.000 3.721 3.630 3.833 . 0 0 "[ . 1 . 2]" 2 831 1 89 GLU HA 1 89 GLU QB 2.500 . 3.300 2.179 2.110 2.353 . 0 0 "[ . 1 . 2]" 2 832 1 90 ASP H 1 90 ASP HB2 3.700 . 5.400 3.210 2.864 3.646 . 0 0 "[ . 1 . 2]" 2 833 1 72 LYS QG 1 90 ASP HB2 4.800 . 6.000 3.992 2.441 5.188 . 0 0 "[ . 1 . 2]" 2 834 1 147 PRO QG 1 148 ARG H 4.000 . 6.000 3.580 2.367 4.881 . 0 0 "[ . 1 . 2]" 2 835 1 146 VAL H 1 147 PRO QG 6.000 . 6.000 5.709 5.302 6.003 0.003 20 0 "[ . 1 . 2]" 2 836 1 145 GLU H 1 147 PRO QG 5.100 . 6.000 5.740 4.622 6.061 0.061 18 0 "[ . 1 . 2]" 2 837 1 147 PRO HB2 1 147 PRO HD2 3.900 . 5.800 3.654 3.024 3.984 . 0 0 "[ . 1 . 2]" 2 838 1 96 THR HA 1 96 THR HB 2.400 . 3.100 2.791 2.512 3.035 . 0 0 "[ . 1 . 2]" 2 839 1 96 THR HB 1 97 ASP HA 4.000 . 6.000 4.410 3.920 4.955 . 0 0 "[ . 1 . 2]" 2 840 1 68 LEU HA 1 70 ALA H 4.900 . 6.000 5.499 5.116 5.909 . 0 0 "[ . 1 . 2]" 2 841 1 100 MET ME 1 129 THR H 4.700 . 6.000 5.493 4.161 6.089 0.089 10 0 "[ . 1 . 2]" 2 842 1 107 SER HB3 1 108 PHE H 3.700 . 5.400 3.791 3.328 4.363 . 0 0 "[ . 1 . 2]" 2 843 1 107 SER HB2 1 108 PHE H 4.300 . 6.000 4.201 3.487 4.547 . 0 0 "[ . 1 . 2]" 2 844 1 107 SER HB2 1 135 SER HA 3.200 . 4.500 2.990 2.232 4.150 . 0 0 "[ . 1 . 2]" 2 845 1 110 CYS HB2 1 143 GLU H 5.000 . 6.000 5.235 2.043 6.083 0.083 9 0 "[ . 1 . 2]" 2 846 1 110 CYS HB3 1 111 LYS H 5.000 . 6.000 3.869 2.705 4.223 . 0 0 "[ . 1 . 2]" 2 847 1 114 ALA MB 1 136 TRP HE1 4.100 . 6.000 5.049 3.227 6.106 0.106 2 0 "[ . 1 . 2]" 2 848 1 120 PRO HA 1 136 TRP HE1 4.200 . 6.000 4.915 4.269 5.781 . 0 0 "[ . 1 . 2]" 2 849 1 120 PRO HA 1 136 TRP HA 3.000 . 4.100 2.244 1.832 3.608 0.068 1 0 "[ . 1 . 2]" 2 850 1 121 VAL HB 1 123 LEU QD 3.700 . 5.400 3.684 2.831 4.359 . 0 0 "[ . 1 . 2]" 2 851 1 122 PHE HA 1 122 PHE HB3 3.000 . 4.100 2.464 2.404 2.533 . 0 0 "[ . 1 . 2]" 2 852 1 122 PHE HB3 1 122 PHE QD 3.300 . 4.600 2.477 2.366 2.534 . 0 0 "[ . 1 . 2]" 2 853 1 124 SER HA 1 125 PHE HB3 5.300 . 6.000 4.605 4.327 4.801 . 0 0 "[ . 1 . 2]" 2 854 1 124 SER HA 1 125 PHE HB2 5.100 . 6.000 4.546 4.310 4.779 . 0 0 "[ . 1 . 2]" 2 855 1 124 SER HA 1 125 PHE HA 4.600 . 6.000 4.395 4.339 4.442 . 0 0 "[ . 1 . 2]" 2 856 1 134 PHE HA 1 134 PHE QD 2.900 . 4.000 2.544 2.172 3.065 . 0 0 "[ . 1 . 2]" 2 857 1 134 PHE HA 1 134 PHE HB3 2.800 . 3.800 2.457 2.418 2.590 . 0 0 "[ . 1 . 2]" 2 858 1 122 PHE HA 1 134 PHE HB3 4.500 . 6.000 3.684 3.035 4.303 . 0 0 "[ . 1 . 2]" 2 859 1 134 PHE HA 1 135 SER HB2 4.200 . 6.000 4.547 4.226 5.662 . 0 0 "[ . 1 . 2]" 2 860 1 134 PHE HA 1 135 SER HB3 4.400 . 6.000 4.907 4.358 5.654 . 0 0 "[ . 1 . 2]" 2 861 1 121 VAL HB 1 135 SER HB2 3.600 . 5.200 3.874 2.341 5.006 . 0 0 "[ . 1 . 2]" 2 862 1 121 VAL HB 1 135 SER HB3 4.200 . 6.000 3.451 2.327 4.698 . 0 0 "[ . 1 . 2]" 2 863 1 108 PHE QD 1 136 TRP HB3 3.000 . 4.100 2.146 1.842 2.966 0.058 9 0 "[ . 1 . 2]" 2 864 1 108 PHE QD 1 136 TRP HB2 5.000 . 6.000 3.499 3.120 4.574 . 0 0 "[ . 1 . 2]" 2 865 1 137 HIS HA 1 137 HIS HB3 3.000 . 4.100 2.503 2.370 2.676 . 0 0 "[ . 1 . 2]" 2 866 1 111 LYS QD 1 137 HIS HB3 3.200 . 4.500 2.474 1.598 4.510 0.302 11 0 "[ . 1 . 2]" 2 867 1 137 HIS H 1 137 HIS HB3 4.000 . 6.000 3.596 3.053 3.687 . 0 0 "[ . 1 . 2]" 2 868 1 137 HIS H 1 137 HIS HB2 3.200 . 6.000 2.525 2.298 3.715 . 0 0 "[ . 1 . 2]" 2 869 1 138 THR HA 1 138 THR HB 2.700 . 3.600 2.409 2.312 2.479 . 0 0 "[ . 1 . 2]" 2 870 1 108 PHE QE 1 138 THR HB 4.000 . 6.000 5.519 4.469 6.135 0.135 9 0 "[ . 1 . 2]" 2 871 1 136 TRP HD1 1 138 THR HB 3.700 . 5.400 2.652 1.975 5.258 0.025 7 0 "[ . 1 . 2]" 2 872 1 136 TRP HE1 1 138 THR HB 3.400 . 4.800 3.071 1.977 4.840 0.040 2 0 "[ . 1 . 2]" 2 873 1 140 LEU HA 1 141 ALA H 3.500 . 4.300 3.260 3.094 3.371 . 0 0 "[ . 1 . 2]" 2 874 1 25 LEU HG 1 108 PHE QE 5.000 . 6.000 4.514 2.067 6.004 0.004 1 0 "[ . 1 . 2]" 2 875 1 141 ALA HA 1 142 CYS H 3.800 . 5.300 3.463 2.931 3.608 . 0 0 "[ . 1 . 2]" 2 876 1 22 LEU MD2 1 141 ALA MB 3.400 . 4.900 3.120 2.178 3.623 . 0 0 "[ . 1 . 2]" 2 877 1 9 CYS HB3 1 46 CYS HB3 4.500 . 6.000 3.110 1.799 5.152 0.201 4 0 "[ . 1 . 2]" 2 878 1 20 PHE QE 1 143 GLU HA 5.000 . 6.200 4.917 3.791 6.053 . 0 0 "[ . 1 . 2]" 2 879 1 143 GLU HG2 1 144 GLU H 4.300 . 6.000 4.199 2.506 5.306 . 0 0 "[ . 1 . 2]" 2 880 1 9 CYS HB2 1 46 CYS HB2 4.500 . 6.000 4.160 2.162 5.451 . 0 0 "[ . 1 . 2]" 2 881 1 13 ASN HA 1 13 ASN HB2 2.600 . 3.500 2.470 2.430 2.527 . 0 0 "[ . 1 . 2]" 2 882 1 19 LEU HA 1 20 PHE QD 3.900 . 5.800 4.219 3.239 4.727 . 0 0 "[ . 1 . 2]" 2 883 1 22 LEU QB 1 22 LEU MD1 2.600 . 6.000 2.088 2.061 2.118 . 0 0 "[ . 1 . 2]" 2 884 1 22 LEU H 1 23 THR HA 4.000 . 6.000 4.606 4.206 4.860 . 0 0 "[ . 1 . 2]" 2 885 1 23 THR HA 1 24 SER QB 4.200 . 6.000 5.424 5.075 5.576 . 0 0 "[ . 1 . 2]" 2 886 1 31 TYR H 1 32 THR HA 4.600 . 6.000 4.838 4.526 5.230 . 0 0 "[ . 1 . 2]" 2 887 1 32 THR HB 1 33 ILE H 5.200 . 6.000 3.836 2.720 4.163 . 0 0 "[ . 1 . 2]" 2 888 1 32 THR HA 1 33 ILE HB 4.500 . 5.000 5.171 5.039 5.241 0.241 4 0 "[ . 1 . 2]" 2 889 1 35 ASP H 1 40 LYS HA 2.700 . 3.600 2.670 2.002 3.534 . 0 0 "[ . 1 . 2]" 2 890 1 53 CYS HA 1 54 ALA MB 4.500 . 6.000 4.181 3.839 4.450 . 0 0 "[ . 1 . 2]" 2 891 1 54 ALA HA 1 54 ALA MB 2.100 . 2.600 2.129 2.105 2.157 . 0 0 "[ . 1 . 2]" 2 892 1 53 CYS HA 1 54 ALA MB 3.300 . 4.800 3.560 3.369 3.681 . 0 0 "[ . 1 . 2]" 2 893 1 54 ALA MB 1 57 ALA H 5.500 . 6.100 4.310 3.664 5.361 . 0 0 "[ . 1 . 2]" 2 894 1 108 PHE HB2 1 138 THR MG 4.400 . 6.000 4.105 3.592 4.673 . 0 0 "[ . 1 . 2]" 2 895 1 53 CYS HB2 1 57 ALA MB 2.700 . 3.600 2.947 2.076 4.043 0.443 13 0 "[ . 1 . 2]" 2 896 1 57 ALA MB 1 69 ASN HB2 3.800 . 5.600 3.784 2.679 4.968 . 0 0 "[ . 1 . 2]" 2 897 1 57 ALA HA 1 57 ALA MB 2.100 . 2.700 2.133 2.110 2.144 . 0 0 "[ . 1 . 2]" 2 898 1 57 ALA MB 1 69 ASN HA 3.700 . 5.400 3.811 3.160 4.745 . 0 0 "[ . 1 . 2]" 2 899 1 56 GLY H 1 57 ALA MB 4.100 . 6.000 4.148 3.724 4.462 . 0 0 "[ . 1 . 2]" 2 900 1 71 GLY HA2 1 103 LYS HA 3.600 . 6.000 5.246 3.937 6.600 0.600 9 1 "[ . +1 . 2]" 2 901 1 56 GLY HA2 1 73 LEU QD 5.900 . 6.000 4.136 3.305 5.143 . 0 0 "[ . 1 . 2]" 2 902 1 57 ALA HA 1 72 LYS QB 4.400 . 6.000 3.182 2.451 4.262 . 0 0 "[ . 1 . 2]" 2 903 1 57 ALA MB 1 60 CYS HA 4.500 . 6.000 4.366 3.373 5.143 . 0 0 "[ . 1 . 2]" 2 904 1 61 ILE H 1 61 ILE HB 3.100 . 4.300 2.589 2.477 2.720 . 0 0 "[ . 1 . 2]" 2 905 1 42 GLU H 1 62 THR HB 4.500 . 6.000 3.932 3.388 4.260 . 0 0 "[ . 1 . 2]" 2 906 1 53 CYS HA 1 62 THR MG 4.000 . 5.000 5.043 4.553 5.152 0.152 15 0 "[ . 1 . 2]" 2 907 1 62 THR HA 1 62 THR MG 2.400 . 3.100 2.237 2.121 2.324 . 0 0 "[ . 1 . 2]" 2 908 1 62 THR MG 1 63 ASP H 3.300 . 4.600 3.298 2.901 3.649 . 0 0 "[ . 1 . 2]" 2 909 1 76 THR MG 1 87 VAL H 5.000 . 6.000 4.411 3.304 6.013 0.013 16 0 "[ . 1 . 2]" 2 910 1 40 LYS H 1 62 THR MG 4.000 . 6.000 4.438 3.931 4.815 . 0 0 "[ . 1 . 2]" 2 911 1 63 ASP HA 1 63 ASP QB 3.300 . 4.600 2.327 2.178 2.454 . 0 0 "[ . 1 . 2]" 2 912 1 66 LYS HA 1 67 THR HB 4.500 . 6.000 4.794 4.480 5.629 . 0 0 "[ . 1 . 2]" 2 913 1 57 ALA HA 1 72 LYS HA 3.000 . 4.000 2.048 1.732 2.640 0.068 13 0 "[ . 1 . 2]" 2 914 1 10 ARG H 1 77 LEU HB2 4.300 . 5.000 3.718 2.652 4.869 . 0 0 "[ . 1 . 2]" 2 915 1 9 CYS HA 1 77 LEU HB2 4.000 . 5.000 3.306 2.180 4.585 . 0 0 "[ . 1 . 2]" 2 916 1 80 GLU HA 1 80 GLU HB2 2.500 . 3.300 2.638 2.428 3.038 . 0 0 "[ . 1 . 2]" 2 917 1 83 VAL HA 1 83 VAL HB 2.700 . 3.600 2.978 2.482 3.079 . 0 0 "[ . 1 . 2]" 2 918 1 83 VAL HA 1 84 LEU HA 4.100 . 6.000 4.308 4.203 4.378 . 0 0 "[ . 1 . 2]" 2 919 1 100 MET HA 1 100 MET QB 2.900 . 3.900 2.244 2.170 2.413 . 0 0 "[ . 1 . 2]" 2 920 1 100 MET HA 1 100 MET HG2 3.600 . 5.200 3.536 2.520 3.834 . 0 0 "[ . 1 . 2]" 2 921 1 117 ASP HA 1 117 ASP QB 2.400 . 3.100 2.375 2.186 2.440 . 0 0 "[ . 1 . 2]" 2 922 1 107 SER HA 1 108 PHE H 2.400 . 3.100 2.135 2.054 2.221 . 0 0 "[ . 1 . 2]" 2 923 1 108 PHE HA 1 108 PHE QD 3.200 . 4.500 2.877 2.657 3.110 . 0 0 "[ . 1 . 2]" 2 924 1 108 PHE HA 1 108 PHE HB3 2.800 . 3.800 2.481 2.441 2.543 . 0 0 "[ . 1 . 2]" 2 925 1 125 PHE HA 1 125 PHE HB2 2.900 . 3.900 2.495 2.387 2.601 . 0 0 "[ . 1 . 2]" 2 926 1 123 LEU QD 1 135 SER HA 4.200 . 6.000 3.791 3.431 4.502 . 0 0 "[ . 1 . 2]" 2 927 1 124 SER H 1 132 SER HA 4.000 . 6.000 4.920 4.458 5.451 . 0 0 "[ . 1 . 2]" 2 928 1 108 PHE HB3 1 138 THR MG 3.400 . 4.900 2.687 2.210 3.238 . 0 0 "[ . 1 . 2]" 2 929 1 138 THR MG 1 140 LEU QD 3.900 . 5.800 3.615 3.081 3.999 . 0 0 "[ . 1 . 2]" 2 930 1 84 LEU MD2 1 138 THR MG 5.200 . 6.000 3.923 3.343 4.490 . 0 0 "[ . 1 . 2]" 2 931 1 105 TYR HB2 1 131 THR MG 4.600 . 6.000 4.331 2.023 6.020 0.020 2 0 "[ . 1 . 2]" 2 932 1 97 ASP H 1 98 LEU QD 4.500 2.100 5.000 3.689 2.857 4.386 . 0 0 "[ . 1 . 2]" 2 933 1 6 GLN QG 1 26 LYS HB2 3.600 . 5.300 3.461 2.106 4.478 . 0 0 "[ . 1 . 2]" 2 934 1 41 ILE HA 1 41 ILE MG 2.700 . 3.600 2.378 2.273 2.500 . 0 0 "[ . 1 . 2]" 2 935 1 19 LEU QD 1 21 ASP H 5.000 . 6.000 3.949 3.002 5.094 . 0 0 "[ . 1 . 2]" 2 936 1 65 PRO HB3 1 66 LYS H 3.500 . 4.800 4.431 4.227 4.602 . 0 0 "[ . 1 . 2]" 2 937 1 65 PRO HB2 1 66 LYS H 3.500 . 4.700 3.774 3.165 4.153 . 0 0 "[ . 1 . 2]" 2 938 1 96 THR MG 1 128 GLN HG3 4.000 . 6.000 3.779 1.986 5.368 . 0 0 "[ . 1 . 2]" 2 939 1 82 GLN HG2 1 83 VAL H 4.000 . 6.000 5.123 4.733 5.291 . 0 0 "[ . 1 . 2]" 2 940 1 75 LYS QB 1 75 LYS QE 1.900 . 2.400 1.806 1.762 1.977 . 0 0 "[ . 1 . 2]" 2 941 1 75 LYS H 1 75 LYS QE 3.800 . 5.600 3.935 3.006 4.604 . 0 0 "[ . 1 . 2]" 2 942 1 9 CYS H 1 75 LYS QE 5.000 . 6.000 5.553 5.174 6.024 0.024 18 0 "[ . 1 . 2]" 2 943 1 26 LYS QD 1 75 LYS QE 1.800 . 6.000 5.269 4.094 6.039 0.039 2 0 "[ . 1 . 2]" 2 944 1 147 PRO HD2 1 148 ARG QD 2.800 . 6.000 4.651 3.015 6.177 0.177 18 0 "[ . 1 . 2]" 2 945 1 6 GLN HE22 1 47 ALA HA 4.200 . 6.000 4.887 2.717 6.857 0.857 20 1 "[ . 1 . +]" 2 946 1 92 ASP QB 1 93 PRO HD3 5.300 . 6.000 3.803 2.490 4.533 . 0 0 "[ . 1 . 2]" 2 947 1 131 THR HB 1 133 TYR QE 4.700 . 6.000 3.603 2.691 5.443 . 0 0 "[ . 1 . 2]" 2 948 1 131 THR H 1 131 THR HB 4.100 . 6.000 2.782 2.384 3.620 . 0 0 "[ . 1 . 2]" 2 949 1 27 ARG HA 1 27 ARG HD2 5.000 . 6.000 4.646 2.838 5.506 . 0 0 "[ . 1 . 2]" 2 950 1 86 LEU HA 1 87 VAL MG2 4.900 . 6.000 3.652 3.447 3.853 . 0 0 "[ . 1 . 2]" 2 951 1 84 LEU HB2 1 84 LEU MD1 2.800 . 3.800 2.351 2.285 2.404 . 0 0 "[ . 1 . 2]" 2 952 1 84 LEU HB2 1 84 LEU MD2 3.200 . 4.500 2.345 2.249 2.394 . 0 0 "[ . 1 . 2]" 2 953 1 84 LEU HB3 1 84 LEU MD2 2.900 . 3.900 2.303 2.271 2.332 . 0 0 "[ . 1 . 2]" 2 954 1 84 LEU HB2 1 108 PHE HB2 3.800 . 5.600 3.327 2.889 3.675 . 0 0 "[ . 1 . 2]" 2 955 1 84 LEU HB2 1 108 PHE HB3 4.400 . 6.000 4.391 4.098 4.727 . 0 0 "[ . 1 . 2]" 2 956 1 84 LEU HB2 1 108 PHE QD 5.000 . 6.000 4.724 4.264 5.421 . 0 0 "[ . 1 . 2]" 2 957 1 84 LEU HB3 1 108 PHE QD 4.100 . 6.000 3.294 2.774 3.986 . 0 0 "[ . 1 . 2]" 2 958 1 84 LEU H 1 84 LEU HB2 3.000 . 4.100 2.605 2.484 2.756 . 0 0 "[ . 1 . 2]" 2 959 1 84 LEU MD2 1 108 PHE HB2 4.000 . 6.000 2.393 2.073 2.879 . 0 0 "[ . 1 . 2]" 2 960 1 84 LEU HA 1 84 LEU MD2 3.400 . 4.800 3.863 3.782 3.896 . 0 0 "[ . 1 . 2]" 2 961 1 77 LEU HA 1 84 LEU MD2 4.500 . 6.000 5.165 4.093 5.566 . 0 0 "[ . 1 . 2]" 2 962 1 84 LEU MD2 1 141 ALA H 5.200 . 6.000 4.611 4.181 5.247 . 0 0 "[ . 1 . 2]" 2 963 1 3 SER H 1 140 LEU HG 3.300 . 6.000 5.906 5.263 6.098 0.098 11 0 "[ . 1 . 2]" 2 964 1 68 LEU H 1 68 LEU MD2 5.100 . 6.000 4.263 4.028 4.431 . 0 0 "[ . 1 . 2]" 2 965 1 106 PHE HB2 1 108 PHE QE 3.600 . 5.200 3.362 2.399 4.325 . 0 0 "[ . 1 . 2]" 2 966 1 65 PRO HA 1 65 PRO HD2 4.600 . 6.000 3.973 3.872 4.094 . 0 0 "[ . 1 . 2]" 2 967 1 65 PRO HA 1 65 PRO HD3 4.400 . 6.000 3.933 3.787 4.032 . 0 0 "[ . 1 . 2]" 2 968 1 33 ILE HB 1 33 ILE HG13 2.800 . 3.800 2.429 2.339 2.505 . 0 0 "[ . 1 . 2]" 2 969 1 120 PRO HG3 1 136 TRP HA 4.700 . 6.000 5.356 3.986 6.127 0.127 11 0 "[ . 1 . 2]" 2 970 1 33 ILE QG 1 34 THR H 4.100 . 6.000 3.804 3.309 4.157 . 0 0 "[ . 1 . 2]" 2 971 1 33 ILE MG 1 41 ILE MD 4.400 . 6.000 4.498 3.481 5.238 . 0 0 "[ . 1 . 2]" 2 972 1 36 SER HA 1 36 SER QB 2.500 . 3.300 2.293 2.111 2.382 . 0 0 "[ . 1 . 2]" 2 973 1 43 LEU HB3 1 59 VAL MG2 3.800 2.300 5.300 2.741 1.676 3.364 0.624 14 1 "[ . 1 +. 2]" 2 974 1 43 LEU HB2 1 59 VAL MG2 4.500 . 6.000 3.122 1.888 4.797 0.012 11 0 "[ . 1 . 2]" 2 975 1 73 LEU QD 1 75 LYS HA 4.100 . 6.000 3.164 2.642 3.811 . 0 0 "[ . 1 . 2]" 2 976 1 45 VAL HA 1 47 ALA H 3.700 . 5.400 3.984 3.284 5.361 . 0 0 "[ . 1 . 2]" 2 977 1 44 ASN HA 1 45 VAL MG2 4.000 . 6.000 3.930 3.255 5.516 . 0 0 "[ . 1 . 2]" 2 978 1 59 VAL H 1 59 VAL HB 3.100 . 4.300 2.686 2.555 3.361 . 0 0 "[ . 1 . 2]" 2 979 1 105 TYR H 1 131 THR MG 4.400 . 6.000 3.870 2.770 5.274 . 0 0 "[ . 1 . 2]" 2 980 1 68 LEU H 1 68 LEU HG 4.000 . 6.000 4.436 4.305 4.683 . 0 0 "[ . 1 . 2]" 2 981 1 75 LYS HA 1 75 LYS QB 3.200 . 4.300 2.290 2.174 2.437 . 0 0 "[ . 1 . 2]" 2 982 1 9 CYS H 1 75 LYS QB 3.800 . 5.500 4.161 3.495 4.961 . 0 0 "[ . 1 . 2]" 2 983 1 75 LYS QB 1 75 LYS QG 2.900 . 3.900 2.057 1.947 2.091 . 0 0 "[ . 1 . 2]" 2 984 1 75 LYS HA 1 75 LYS QG 3.500 . 5.000 2.892 2.351 3.600 . 0 0 "[ . 1 . 2]" 2 985 1 74 SER HA 1 75 LYS QG 4.500 . 6.000 4.989 3.545 5.900 . 0 0 "[ . 1 . 2]" 2 986 1 75 LYS QG 1 77 LEU H 5.800 . 6.000 5.742 5.096 6.082 0.082 2 0 "[ . 1 . 2]" 2 987 1 75 LYS H 1 75 LYS QD 5.200 . 6.000 4.203 1.713 4.960 0.087 4 0 "[ . 1 . 2]" 2 988 1 40 LYS QD 1 40 LYS QE 2.300 . 3.000 2.047 1.995 2.093 . 0 0 "[ . 1 . 2]" 2 989 1 84 LEU MD2 1 108 PHE QD 3.700 . 5.400 3.242 2.860 3.712 . 0 0 "[ . 1 . 2]" 2 990 1 65 PRO HA 1 66 LYS H 3.600 . 5.000 3.348 3.194 3.476 . 0 0 "[ . 1 . 2]" 2 991 1 108 PHE H 1 138 THR MG 2.900 . 6.000 5.441 4.990 5.907 . 0 0 "[ . 1 . 2]" 2 992 1 61 ILE HG12 1 61 ILE MG 3.100 . 4.300 3.203 3.189 3.219 . 0 0 "[ . 1 . 2]" 2 993 1 22 LEU MD2 1 84 LEU MD2 3.000 . 4.100 2.165 1.891 2.523 0.009 6 0 "[ . 1 . 2]" 2 994 1 6 GLN HB3 1 6 GLN HE21 4.200 . 6.000 3.554 2.708 4.669 . 0 0 "[ . 1 . 2]" 2 995 1 6 GLN HB2 1 6 GLN HE21 4.600 . 6.000 4.111 2.778 4.545 . 0 0 "[ . 1 . 2]" 2 996 1 128 GLN HG3 1 129 THR H 4.700 . 6.000 4.206 3.225 4.857 . 0 0 "[ . 1 . 2]" 2 997 1 128 GLN HG2 1 129 THR H 4.700 . 6.000 3.921 2.412 4.856 . 0 0 "[ . 1 . 2]" 2 998 1 94 CYS HA 1 95 PRO HG2 5.600 . 6.000 4.590 4.394 4.952 . 0 0 "[ . 1 . 2]" 2 999 1 94 CYS HA 1 95 PRO HG3 5.200 . 6.000 4.365 3.959 5.105 . 0 0 "[ . 1 . 2]" 2 1000 1 59 VAL MG1 1 61 ILE MG 4.800 . 6.000 5.021 4.495 6.879 0.879 14 1 "[ . 1 +. 2]" 2 1001 1 61 ILE MG 1 68 LEU MD2 3.500 . 5.000 3.355 2.464 5.301 0.301 9 0 "[ . 1 . 2]" 2 1002 1 14 PRO QG 1 15 ALA MB 4.200 . 6.000 3.615 3.291 3.902 . 0 0 "[ . 1 . 2]" 2 1003 1 65 PRO HG3 1 66 LYS H . 2.200 4.400 4.483 4.075 4.802 0.402 5 0 "[ . 1 . 2]" 2 1004 1 65 PRO HG2 1 66 LYS H 3.500 . 5.000 3.654 2.783 4.222 . 0 0 "[ . 1 . 2]" 2 1005 1 128 GLN HB3 1 129 THR H 3.000 . 4.100 2.453 2.090 2.821 . 0 0 "[ . 1 . 2]" 2 1006 1 128 GLN HB2 1 129 THR H 4.300 . 6.000 3.781 3.546 4.026 . 0 0 "[ . 1 . 2]" 2 1007 1 128 GLN HB2 1 129 THR MG 4.800 . 6.000 4.737 4.185 5.295 . 0 0 "[ . 1 . 2]" 2 1008 1 96 THR MG 1 128 GLN HB2 4.500 . 6.000 4.959 3.793 5.976 . 0 0 "[ . 1 . 2]" 2 1009 1 100 MET H 1 100 MET HG3 2.900 . 3.900 3.122 2.387 3.428 . 0 0 "[ . 1 . 2]" 2 1010 1 143 GLU H 1 144 GLU HB2 4.800 . 6.000 4.994 3.970 5.772 . 0 0 "[ . 1 . 2]" 2 1011 1 143 GLU H 1 144 GLU HB3 5.000 . 6.000 5.269 4.209 6.111 0.111 18 0 "[ . 1 . 2]" 2 1012 1 30 GLY H 1 50 LYS QB 4.000 . 6.000 5.422 4.605 5.983 . 0 0 "[ . 1 . 2]" 2 1013 1 148 ARG H 1 148 ARG HA 2.500 . 3.300 2.849 2.245 2.943 . 0 0 "[ . 1 . 2]" 2 1014 1 128 GLN HB3 1 129 THR MG 3.300 . 4.300 3.268 2.613 3.971 . 0 0 "[ . 1 . 2]" 2 1015 1 67 THR MG 1 68 LEU H 3.000 . 4.100 3.260 2.814 3.910 . 0 0 "[ . 1 . 2]" 2 1016 1 22 LEU MD2 1 84 LEU HB3 4.900 . 6.000 4.303 3.796 4.823 . 0 0 "[ . 1 . 2]" 2 1017 1 41 ILE H 1 61 ILE MG 4.900 . 6.000 5.043 4.646 5.305 . 0 0 "[ . 1 . 2]" 2 1018 1 20 PHE HB2 1 84 LEU MD2 4.700 . 6.000 3.416 2.966 3.924 . 0 0 "[ . 1 . 2]" 2 1019 1 20 PHE HB3 1 84 LEU MD2 3.400 . 4.800 2.231 1.944 2.733 0.056 13 0 "[ . 1 . 2]" 2 1020 1 22 LEU MD1 1 141 ALA H 4.700 . 6.000 5.967 5.642 6.056 0.056 11 0 "[ . 1 . 2]" 2 1021 1 41 ILE MG 1 60 CYS H 4.900 . 6.000 3.893 3.304 4.333 . 0 0 "[ . 1 . 2]" 2 1022 1 85 LYS QG 1 107 SER HA 3.900 . 5.800 3.510 2.177 4.614 . 0 0 "[ . 1 . 2]" 2 1023 1 139 SER HB2 1 141 ALA MB 4.200 . 6.000 6.050 5.855 6.208 0.208 3 0 "[ . 1 . 2]" 2 1024 1 23 THR HA 1 26 LYS HB2 4.100 . 6.000 4.478 2.608 6.256 0.256 10 0 "[ . 1 . 2]" 2 1025 1 118 SER QB 1 136 TRP HE1 3.500 . 5.000 2.307 1.897 3.197 0.103 10 0 "[ . 1 . 2]" 2 1026 1 13 ASN HB3 1 20 PHE QE 3.800 2.300 5.600 3.152 2.249 3.556 0.051 3 0 "[ . 1 . 2]" 2 1027 1 137 HIS H 1 138 THR H 4.300 . 6.000 4.142 3.968 4.293 . 0 0 "[ . 1 . 2]" 2 1028 1 136 TRP HA 1 137 HIS H 2.600 . 6.000 2.095 1.960 2.221 . 0 0 "[ . 1 . 2]" 2 1029 1 41 ILE MG 1 60 CYS H 4.200 . 6.000 4.073 3.386 4.636 . 0 0 "[ . 1 . 2]" 2 1030 1 80 GLU H 1 83 VAL HB 4.000 . 5.600 4.255 3.538 5.632 0.032 19 0 "[ . 1 . 2]" 2 1031 1 80 GLU HA 1 82 GLN H 3.700 . 5.400 3.564 3.024 5.144 . 0 0 "[ . 1 . 2]" 2 1032 1 82 GLN H 1 82 GLN HB3 4.000 . 6.000 4.050 3.725 4.137 . 0 0 "[ . 1 . 2]" 2 1033 1 82 GLN H 1 82 GLN HB2 2.900 . 4.000 2.909 2.665 3.245 . 0 0 "[ . 1 . 2]" 2 1034 1 82 GLN H 1 82 GLN HB2 3.400 . 4.800 3.110 2.417 3.252 . 0 0 "[ . 1 . 2]" 2 1035 1 82 GLN H 1 83 VAL QG 4.700 . 6.000 4.304 4.024 4.735 . 0 0 "[ . 1 . 2]" 2 1036 1 80 GLU H 1 82 GLN H 4.000 . 6.000 3.861 3.499 4.988 . 0 0 "[ . 1 . 2]" 2 1037 1 16 THR H 1 17 GLY HA3 5.300 . 6.000 4.950 4.735 5.120 . 0 0 "[ . 1 . 2]" 2 1038 1 16 THR H 1 17 GLY HA2 5.000 . 6.000 4.572 4.287 4.780 . 0 0 "[ . 1 . 2]" 2 1039 1 16 THR H 1 17 GLY H 2.400 . 2.900 2.314 2.062 2.514 . 0 0 "[ . 1 . 2]" 2 1040 1 16 THR H 1 18 HIS H 4.000 . 5.500 3.802 3.412 4.193 . 0 0 "[ . 1 . 2]" 2 1041 1 15 ALA H 1 16 THR H 2.300 . 2.900 2.584 2.340 2.863 . 0 0 "[ . 1 . 2]" 2 1042 1 90 ASP HA 1 91 GLY H 3.100 . 4.300 2.203 2.012 2.944 . 0 0 "[ . 1 . 2]" 2 1043 1 89 GLU HB2 1 91 GLY H 4.500 . 6.000 5.668 4.044 6.610 0.610 4 2 "[ +. 1- . 2]" 2 1044 1 90 ASP H 1 91 GLY H 3.000 . 4.300 3.533 2.535 4.451 0.151 12 0 "[ . 1 . 2]" 2 1045 1 30 GLY H 1 30 GLY HA3 2.700 . 3.600 2.895 2.807 2.947 . 0 0 "[ . 1 . 2]" 2 1046 1 29 SER HB3 1 30 GLY H 3.500 . 5.000 3.223 1.999 4.025 0.001 6 0 "[ . 1 . 2]" 2 1047 1 30 GLY H 1 30 GLY HA2 2.200 . 2.800 2.584 2.308 2.784 . 0 0 "[ . 1 . 2]" 2 1048 1 27 ARG HG3 1 30 GLY H 3.800 . 4.800 2.350 1.978 3.263 0.022 9 0 "[ . 1 . 2]" 2 1049 1 27 ARG HG2 1 30 GLY H 3.500 . 4.600 3.652 2.820 4.129 . 0 0 "[ . 1 . 2]" 2 1050 1 27 ARG HB2 1 30 GLY H 3.400 . 4.800 3.971 2.000 4.709 . 0 0 "[ . 1 . 2]" 2 1051 1 30 GLY H 1 31 TYR H 4.100 . 6.000 4.339 4.203 4.601 . 0 0 "[ . 1 . 2]" 2 1052 1 29 SER H 1 30 GLY H 2.800 . 3.300 2.660 1.983 3.258 . 0 0 "[ . 1 . 2]" 2 1053 1 56 GLY H 1 56 GLY HA3 2.800 . 3.700 2.321 2.249 2.412 . 0 0 "[ . 1 . 2]" 2 1054 1 55 ASN HB3 1 56 GLY H 3.500 . 5.000 2.666 2.065 4.010 . 0 0 "[ . 1 . 2]" 2 1055 1 55 ASN HB2 1 56 GLY H 2.900 . 4.000 3.269 2.130 3.910 . 0 0 "[ . 1 . 2]" 2 1056 1 55 ASN HA 1 56 GLY H 2.900 . 3.900 3.548 3.483 3.615 . 0 0 "[ . 1 . 2]" 2 1057 1 56 GLY H 1 57 ALA H 2.600 . 3.400 2.631 2.290 2.945 . 0 0 "[ . 1 . 2]" 2 1058 1 95 PRO HB2 1 96 THR H 2.900 . 4.000 3.140 2.654 3.807 . 0 0 "[ . 1 . 2]" 2 1059 1 124 SER H 1 134 PHE HA 4.300 . 6.000 4.546 3.701 5.021 . 0 0 "[ . 1 . 2]" 2 1060 1 124 SER H 1 124 SER HA 2.600 . 3.400 2.809 2.690 2.890 . 0 0 "[ . 1 . 2]" 2 1061 1 122 PHE HA 1 124 SER H 4.600 . 6.000 4.270 3.813 4.683 . 0 0 "[ . 1 . 2]" 2 1062 1 124 SER H 1 133 TYR HB3 4.400 . 6.000 4.037 3.518 4.655 . 0 0 "[ . 1 . 2]" 2 1063 1 123 LEU HB2 1 124 SER H 2.400 . 3.100 2.405 1.983 3.206 0.106 19 0 "[ . 1 . 2]" 2 1064 1 124 SER H 1 133 TYR H 3.100 . 4.300 3.123 2.843 3.465 . 0 0 "[ . 1 . 2]" 2 1065 1 123 LEU H 1 124 SER H 2.400 . 3.100 2.520 2.369 2.775 . 0 0 "[ . 1 . 2]" 2 1066 1 124 SER H 1 133 TYR QD 4.100 . 6.000 3.794 3.183 4.496 . 0 0 "[ . 1 . 2]" 2 1067 1 114 ALA HA 1 115 GLY H 2.700 . 3.600 3.246 2.780 3.558 . 0 0 "[ . 1 . 2]" 2 1068 1 115 GLY H 1 115 GLY HA3 2.500 . 3.300 2.678 2.278 2.876 . 0 0 "[ . 1 . 2]" 2 1069 1 115 GLY H 1 115 GLY HA2 2.200 . 2.800 2.408 2.171 2.868 0.068 18 0 "[ . 1 . 2]" 2 1070 1 111 LYS QD 1 115 GLY H 5.100 . 6.000 5.404 3.455 6.095 0.095 15 0 "[ . 1 . 2]" 2 1071 1 44 ASN HD22 1 47 ALA MB 3.300 . 4.300 2.292 1.782 3.467 0.018 9 0 "[ . 1 . 2]" 2 1072 1 44 ASN HB3 1 44 ASN HD22 4.100 . 6.000 3.643 3.444 4.075 . 0 0 "[ . 1 . 2]" 2 1073 1 44 ASN HB2 1 44 ASN HD21 3.200 . 6.000 2.623 2.193 3.399 . 0 0 "[ . 1 . 2]" 2 1074 1 27 ARG H 1 44 ASN HD22 3.100 . 4.300 2.824 2.029 3.864 . 0 0 "[ . 1 . 2]" 2 1075 1 27 ARG H 1 44 ASN HD21 4.200 . 6.000 4.377 3.753 5.291 . 0 0 "[ . 1 . 2]" 2 1076 1 28 GLU H 1 29 SER H 2.900 . 3.900 2.622 2.422 3.126 . 0 0 "[ . 1 . 2]" 2 1077 1 28 GLU QG 1 29 SER H 3.500 . 5.100 3.699 2.081 4.565 . 0 0 "[ . 1 . 2]" 2 1078 1 28 GLU QB 1 29 SER H 2.700 . 3.600 2.827 2.274 3.533 . 0 0 "[ . 1 . 2]" 2 1079 1 27 ARG HB3 1 29 SER H 4.400 . 6.000 4.722 2.933 5.191 . 0 0 "[ . 1 . 2]" 2 1080 1 27 ARG HG2 1 29 SER H 4.300 . 6.000 4.493 3.613 5.142 . 0 0 "[ . 1 . 2]" 2 1081 1 27 ARG HB2 1 29 SER H 3.500 . 5.000 3.170 1.951 4.019 0.049 20 0 "[ . 1 . 2]" 2 1082 1 29 SER H 1 29 SER HA 2.500 . 3.300 2.870 2.734 2.920 . 0 0 "[ . 1 . 2]" 2 1083 1 28 GLU HA 1 29 SER H 3.300 . 4.400 3.016 2.382 3.334 . 0 0 "[ . 1 . 2]" 2 1084 1 29 SER H 1 29 SER HB3 3.000 . 4.100 3.042 2.445 3.863 . 0 0 "[ . 1 . 2]" 2 1085 1 29 SER H 1 29 SER HB2 2.800 . 3.800 3.021 2.525 3.705 . 0 0 "[ . 1 . 2]" 2 1086 1 12 THR MG 1 17 GLY H 3.600 . 5.200 4.380 3.557 5.066 . 0 0 "[ . 1 . 2]" 2 1087 1 13 ASN HA 1 17 GLY H 4.400 . 6.000 2.781 2.452 3.669 . 0 0 "[ . 1 . 2]" 2 1088 1 14 PRO HA 1 17 GLY H 2.900 . 4.000 3.402 3.003 3.880 . 0 0 "[ . 1 . 2]" 2 1089 1 17 GLY H 1 17 GLY HA3 2.900 . 4.000 2.901 2.872 2.936 . 0 0 "[ . 1 . 2]" 2 1090 1 17 GLY H 1 17 GLY HA2 2.400 . 3.100 2.319 2.290 2.370 . 0 0 "[ . 1 . 2]" 2 1091 1 13 ASN HB3 1 17 GLY H 3.500 . 5.000 3.863 3.356 5.024 0.024 3 0 "[ . 1 . 2]" 2 1092 1 17 GLY H 1 18 HIS H 2.600 . 3.400 2.291 2.132 2.512 . 0 0 "[ . 1 . 2]" 2 1093 1 15 ALA H 1 17 GLY H 3.500 . 4.900 3.707 3.220 4.069 . 0 0 "[ . 1 . 2]" 2 1094 1 119 GLN HE21 1 119 GLN QG 2.800 . 3.800 2.426 2.196 2.837 . 0 0 "[ . 1 . 2]" 2 1095 1 82 GLN HE22 1 82 GLN HG2 4.100 . 6.000 3.806 3.445 4.064 . 0 0 "[ . 1 . 2]" 2 1096 1 33 ILE MG 1 119 GLN HE21 4.500 . 6.000 5.294 3.390 6.463 0.463 5 0 "[ . 1 . 2]" 2 1097 1 10 ARG H 1 10 ARG HA 2.900 . 4.000 2.844 2.771 2.940 . 0 0 "[ . 1 . 2]" 2 1098 1 8 ASP HA 1 10 ARG H 4.000 . 6.000 4.539 3.618 5.361 . 0 0 "[ . 1 . 2]" 2 1099 1 9 CYS HB2 1 10 ARG H 5.200 . 6.000 4.475 3.996 4.629 . 0 0 "[ . 1 . 2]" 2 1100 1 9 CYS HA 1 10 ARG H 2.800 . 3.700 2.375 2.134 3.016 . 0 0 "[ . 1 . 2]" 2 1101 1 82 GLN HB3 1 82 GLN HE21 4.100 . 6.000 3.711 2.662 4.477 . 0 0 "[ . 1 . 2]" 2 1102 1 119 GLN HE22 1 119 GLN QG 3.500 . 5.000 3.352 3.223 3.493 . 0 0 "[ . 1 . 2]" 2 1103 1 82 GLN HE21 1 82 GLN HG2 3.000 . 4.100 2.970 2.168 3.529 . 0 0 "[ . 1 . 2]" 2 1104 1 10 ARG H 1 10 ARG HB3 3.100 . 4.300 3.387 2.625 3.936 . 0 0 "[ . 1 . 2]" 2 1105 1 10 ARG H 1 77 LEU QD 3.800 . 5.500 3.377 2.433 3.833 . 0 0 "[ . 1 . 2]" 2 1106 1 9 CYS H 1 10 ARG H 3.100 . 4.300 3.048 2.584 4.102 . 0 0 "[ . 1 . 2]" 2 1107 1 10 ARG H 1 77 LEU H 4.500 . 5.950 4.224 2.856 5.863 . 0 0 "[ . 1 . 2]" 2 1108 1 35 ASP HA 1 36 SER H 2.800 . 3.900 2.712 2.149 3.050 . 0 0 "[ . 1 . 2]" 2 1109 1 36 SER H 1 36 SER QB 3.000 . 4.100 2.440 2.120 2.880 . 0 0 "[ . 1 . 2]" 2 1110 1 35 ASP QB 1 36 SER H 4.000 . 5.800 2.849 2.074 3.749 . 0 0 "[ . 1 . 2]" 2 1111 1 38 ASN HB3 1 38 ASN HD21 3.100 . 4.300 3.334 2.282 3.567 . 0 0 "[ . 1 . 2]" 2 1112 1 38 ASN HB2 1 38 ASN HD21 2.300 . 3.000 2.482 2.146 3.461 0.461 19 0 "[ . 1 . 2]" 2 1113 1 4 ASN QD 1 5 VAL QG 5.000 . 6.000 5.076 3.820 5.753 . 0 0 "[ . 1 . 2]" 2 1114 1 59 VAL H 1 72 LYS HA 4.300 . 6.000 3.876 3.465 4.406 . 0 0 "[ . 1 . 2]" 2 1115 1 55 ASN HA 1 55 ASN HD21 4.000 . 6.000 3.407 1.941 4.497 0.059 2 0 "[ . 1 . 2]" 2 1116 1 58 ALA HA 1 59 VAL H 3.800 . 5.600 3.509 3.300 3.585 . 0 0 "[ . 1 . 2]" 2 1117 1 58 ALA MB 1 59 VAL H 2.900 . 4.000 2.592 2.219 3.122 . 0 0 "[ . 1 . 2]" 2 1118 1 51 SER HA 1 52 SER H 3.800 . 6.000 3.156 2.144 3.618 . 0 0 "[ . 1 . 2]" 2 1119 1 55 ASN HA 1 55 ASN HD22 4.800 . 6.000 4.239 3.531 5.372 . 0 0 "[ . 1 . 2]" 2 1120 1 51 SER HB2 1 52 SER H 3.500 . 5.100 2.899 1.889 4.296 0.011 8 0 "[ . 1 . 2]" 2 1121 1 55 ASN H 1 55 ASN HB3 3.500 . 5.000 3.014 2.508 3.887 . 0 0 "[ . 1 . 2]" 2 1122 1 55 ASN H 1 55 ASN HB2 2.500 . 3.300 3.068 2.625 3.876 0.576 12 2 "[ . 1 + . -]" 2 1123 1 58 ALA H 1 59 VAL H 2.200 . 2.800 2.002 1.791 2.267 . 0 0 "[ . 1 . 2]" 2 1124 1 55 ASN H 1 55 ASN HD22 4.600 . 6.000 5.471 4.709 5.896 . 0 0 "[ . 1 . 2]" 2 1125 1 55 ASN H 1 55 ASN HD21 3.900 . 5.800 4.560 3.782 5.088 . 0 0 "[ . 1 . 2]" 2 1126 1 78 THR H 1 84 LEU HA 4.300 . 6.000 4.854 4.334 5.273 . 0 0 "[ . 1 . 2]" 2 1127 1 77 LEU HA 1 78 THR H 2.200 . 2.800 2.242 2.047 2.364 . 0 0 "[ . 1 . 2]" 2 1128 1 33 ILE HA 1 34 THR H 2.800 . 3.800 2.544 2.385 2.744 . 0 0 "[ . 1 . 2]" 2 1129 1 33 ILE MG 1 34 THR H 3.600 . 5.200 3.031 1.926 3.531 0.074 18 0 "[ . 1 . 2]" 2 1130 1 55 ASN HB3 1 55 ASN HD22 3.700 . 5.400 3.623 3.377 4.065 . 0 0 "[ . 1 . 2]" 2 1131 1 55 ASN HB2 1 55 ASN HD22 3.400 . 4.800 3.864 3.423 4.069 . 0 0 "[ . 1 . 2]" 2 1132 1 55 ASN HB3 1 55 ASN HD21 3.100 . 4.300 2.565 2.052 3.572 . 0 0 "[ . 1 . 2]" 2 1133 1 55 ASN HB2 1 55 ASN HD21 2.800 . 3.800 3.102 2.143 3.525 . 0 0 "[ . 1 . 2]" 2 1134 1 54 ALA MB 1 55 ASN HD21 3.900 . 5.800 5.068 3.709 5.667 . 0 0 "[ . 1 . 2]" 2 1135 1 48 GLU HB2 1 55 ASN HD21 4.200 . 6.000 5.295 3.931 6.145 0.145 18 0 "[ . 1 . 2]" 2 1136 1 78 THR H 1 86 LEU MD2 4.000 . 5.800 5.227 2.648 6.315 0.515 10 1 "[ . + . 2]" 2 1137 1 37 HIS HB3 1 38 ASN H 4.000 . 6.000 3.104 1.866 4.558 0.134 16 0 "[ . 1 . 2]" 2 1138 1 38 ASN H 1 38 ASN HB3 3.400 . 4.800 3.142 2.456 4.165 . 0 0 "[ . 1 . 2]" 2 1139 1 37 HIS HA 1 38 ASN H 3.100 . 4.100 3.202 2.116 3.560 . 0 0 "[ . 1 . 2]" 2 1140 1 3 SER HA 1 24 SER H 5.000 . 6.000 5.355 3.220 6.066 0.066 13 0 "[ . 1 . 2]" 2 1141 1 22 LEU HA 1 24 SER H 3.200 . 4.500 3.609 3.174 4.126 . 0 0 "[ . 1 . 2]" 2 1142 1 24 SER H 1 24 SER HA 2.600 . 3.400 2.835 2.709 2.895 . 0 0 "[ . 1 . 2]" 2 1143 1 24 SER H 1 24 SER QB 2.600 . 3.500 2.428 2.232 2.577 . 0 0 "[ . 1 . 2]" 2 1144 1 23 THR HB 1 24 SER H 3.200 . 6.000 3.424 2.815 4.184 . 0 0 "[ . 1 . 2]" 2 1145 1 23 THR HA 1 24 SER H 3.300 . 4.700 3.512 3.363 3.567 . 0 0 "[ . 1 . 2]" 2 1146 1 23 THR MG 1 24 SER H 3.900 . 5.800 4.034 2.999 4.327 . 0 0 "[ . 1 . 2]" 2 1147 1 24 SER H 1 25 LEU MD1 5.000 . 6.000 5.261 3.231 6.336 0.336 8 0 "[ . 1 . 2]" 2 1148 1 24 SER H 1 140 LEU QD 5.000 . 6.000 3.151 1.980 4.767 0.020 8 0 "[ . 1 . 2]" 2 1149 1 26 LYS HA 1 47 ALA H 3.000 . 4.200 2.944 2.204 3.255 . 0 0 "[ . 1 . 2]" 2 1150 1 24 SER H 1 25 LEU H 2.400 . 3.100 2.573 2.100 2.961 . 0 0 "[ . 1 . 2]" 2 1151 1 24 SER H 1 26 LYS H 4.200 . 6.000 4.249 3.793 4.783 . 0 0 "[ . 1 . 2]" 2 1152 1 46 CYS H 1 47 ALA H 2.600 . 3.500 2.651 1.891 3.311 . 0 0 "[ . 1 . 2]" 2 1153 1 23 THR H 1 24 SER H 2.800 . 3.800 2.659 2.179 3.053 . 0 0 "[ . 1 . 2]" 2 1154 1 121 VAL H 1 121 VAL HB 2.600 . 3.500 2.543 2.468 2.713 . 0 0 "[ . 1 . 2]" 2 1155 1 120 PRO HB3 1 121 VAL H 4.000 . 6.000 3.909 3.268 4.287 . 0 0 "[ . 1 . 2]" 2 1156 1 120 PRO HB2 1 121 VAL H 3.000 . 4.100 3.730 2.802 4.101 0.001 9 0 "[ . 1 . 2]" 2 1157 1 72 LYS QG 1 90 ASP H 4.500 2.300 6.000 4.118 2.778 4.983 . 0 0 "[ . 1 . 2]" 2 1158 1 89 GLU HG3 1 90 ASP H 4.600 . 6.000 4.043 3.280 4.817 . 0 0 "[ . 1 . 2]" 2 1159 1 89 GLU HB3 1 90 ASP H 3.500 . 4.700 3.179 1.893 3.748 0.107 1 0 "[ . 1 . 2]" 2 1160 1 89 GLU HB2 1 90 ASP H 2.400 . 3.100 2.362 1.778 3.361 0.261 4 0 "[ . 1 . 2]" 2 1161 1 89 GLU HA 1 90 ASP H 3.000 . 4.100 2.428 2.096 2.825 . 0 0 "[ . 1 . 2]" 2 1162 1 90 ASP H 1 90 ASP HA 2.500 . 3.300 2.223 2.171 2.294 . 0 0 "[ . 1 . 2]" 2 1163 1 58 ALA MB 1 74 SER H 4.400 . 6.000 3.201 2.604 3.913 . 0 0 "[ . 1 . 2]" 2 1164 1 47 ALA H 1 48 GLU H 4.000 . 6.000 3.989 2.199 4.494 . 0 0 "[ . 1 . 2]" 2 1165 1 22 LEU H 1 23 THR H 2.900 . 3.900 3.138 2.232 3.738 . 0 0 "[ . 1 . 2]" 2 1166 1 121 VAL H 1 135 SER H 3.000 . 4.100 3.400 2.993 3.714 . 0 0 "[ . 1 . 2]" 2 1167 1 123 LEU H 1 135 SER H 4.300 . 6.000 3.858 2.938 4.307 . 0 0 "[ . 1 . 2]" 2 1168 1 126 ASP HA 1 128 GLN H 4.100 . 6.000 3.388 3.190 3.665 . 0 0 "[ . 1 . 2]" 2 1169 1 128 GLN H 1 129 THR HA 5.200 . 5.800 5.145 4.840 5.390 . 0 0 "[ . 1 . 2]" 2 1170 1 47 ALA HA 1 48 GLU H 2.400 . 2.900 2.337 2.075 2.947 0.047 18 0 "[ . 1 . 2]" 2 1171 1 21 ASP HA 1 23 THR H 4.100 . 6.000 4.165 3.170 4.647 . 0 0 "[ . 1 . 2]" 2 1172 1 22 LEU HA 1 23 THR H 2.700 . 3.600 2.674 2.202 3.255 . 0 0 "[ . 1 . 2]" 2 1173 1 23 THR H 1 24 SER QB 4.200 . 6.000 4.680 4.203 5.064 . 0 0 "[ . 1 . 2]" 2 1174 1 23 THR H 1 23 THR HA 2.800 . 3.800 2.797 2.644 2.893 . 0 0 "[ . 1 . 2]" 2 1175 1 134 PHE QD 1 135 SER H 4.200 . 6.000 3.902 3.696 4.328 . 0 0 "[ . 1 . 2]" 2 1176 1 22 LEU HG 1 23 THR H 5.200 . 6.000 5.005 4.812 5.153 . 0 0 "[ . 1 . 2]" 2 1177 1 48 GLU H 1 48 GLU QG 2.500 . 3.300 2.443 1.685 3.311 0.015 9 0 "[ . 1 . 2]" 2 1178 1 48 GLU H 1 48 GLU HB2 3.000 . 4.100 3.163 2.460 3.685 . 0 0 "[ . 1 . 2]" 2 1179 1 48 GLU H 1 48 GLU HB3 2.800 . 3.800 3.262 2.481 4.088 0.288 18 0 "[ . 1 . 2]" 2 1180 1 48 GLU H 1 73 LEU HB3 5.100 . 6.000 5.344 4.384 6.150 0.150 7 0 "[ . 1 . 2]" 2 1181 1 48 GLU H 1 73 LEU QD 3.300 . 4.400 2.933 2.053 3.536 . 0 0 "[ . 1 . 2]" 2 1182 1 128 GLN H 1 128 GLN HA 2.500 . 3.300 2.805 2.683 2.907 . 0 0 "[ . 1 . 2]" 2 1183 1 128 GLN H 1 128 GLN HB3 2.200 . 2.800 2.488 2.155 2.655 . 0 0 "[ . 1 . 2]" 2 1184 1 96 THR MG 1 128 GLN H 4.700 . 6.000 5.415 3.976 6.046 0.046 5 0 "[ . 1 . 2]" 2 1185 1 129 THR MG 1 130 CYS H 4.100 . 6.000 3.470 2.865 4.406 . 0 0 "[ . 1 . 2]" 2 1186 1 121 VAL HB 1 135 SER H 3.200 . 4.500 3.521 2.966 4.049 . 0 0 "[ . 1 . 2]" 2 1187 1 121 VAL QG 1 135 SER H 3.600 . 5.200 3.918 3.638 4.176 . 0 0 "[ . 1 . 2]" 2 1188 1 123 LEU QD 1 135 SER H 3.100 . 4.300 2.848 2.473 3.970 . 0 0 "[ . 1 . 2]" 2 1189 1 135 SER H 1 135 SER HA 3.000 . 4.100 2.907 2.881 2.933 . 0 0 "[ . 1 . 2]" 2 1190 1 120 PRO HA 1 135 SER H 4.500 . 6.000 4.774 4.339 5.191 . 0 0 "[ . 1 . 2]" 2 1191 1 128 GLN H 1 129 THR H 2.600 . 3.400 2.693 2.172 3.144 . 0 0 "[ . 1 . 2]" 2 1192 1 129 THR H 1 130 CYS H 2.800 . 3.500 2.160 1.792 2.581 0.008 20 0 "[ . 1 . 2]" 2 1193 1 128 GLN H 1 130 CYS H 3.500 . 5.000 3.431 3.041 4.007 . 0 0 "[ . 1 . 2]" 2 1194 1 127 GLU H 1 128 GLN H 2.500 . 3.300 2.372 2.170 2.639 . 0 0 "[ . 1 . 2]" 2 1195 1 135 SER H 1 136 TRP H 4.200 . 6.000 4.113 3.949 4.344 . 0 0 "[ . 1 . 2]" 2 1196 1 106 PHE HA 1 107 SER H 2.600 . 3.400 2.111 2.049 2.160 . 0 0 "[ . 1 . 2]" 2 1197 1 107 SER H 1 107 SER HB3 3.500 . 5.000 3.409 2.521 3.750 . 0 0 "[ . 1 . 2]" 2 1198 1 107 SER H 1 107 SER HB2 2.900 . 3.900 2.707 2.447 3.669 . 0 0 "[ . 1 . 2]" 2 1199 1 106 PHE HB2 1 107 SER H 4.200 . 6.000 4.404 4.228 4.545 . 0 0 "[ . 1 . 2]" 2 1200 1 106 PHE HB3 1 107 SER H 4.600 . 6.000 3.754 3.271 4.161 . 0 0 "[ . 1 . 2]" 2 1201 1 73 LEU H 1 73 LEU HA 2.800 . 3.800 2.808 2.769 2.863 . 0 0 "[ . 1 . 2]" 2 1202 1 72 LYS QB 1 73 LEU H 2.300 . 2.900 2.335 1.934 2.735 . 0 0 "[ . 1 . 2]" 2 1203 1 72 LYS QG 1 73 LEU H 3.100 . 4.300 3.240 2.994 3.546 . 0 0 "[ . 1 . 2]" 2 1204 1 140 LEU QB 1 141 ALA H 3.700 . 5.400 3.247 2.933 3.546 . 0 0 "[ . 1 . 2]" 2 1205 1 117 ASP H 1 118 SER H 2.600 . 3.500 2.728 1.708 3.599 0.099 16 0 "[ . 1 . 2]" 2 1206 1 117 ASP HA 1 118 SER H 3.600 . 4.900 3.218 2.052 3.547 . 0 0 "[ . 1 . 2]" 2 1207 1 118 SER H 1 118 SER HA 2.600 . 6.000 2.381 2.115 2.817 . 0 0 "[ . 1 . 2]" 2 1208 1 118 SER H 1 118 SER QB 3.200 . 4.500 3.119 2.402 3.424 . 0 0 "[ . 1 . 2]" 2 1209 1 110 CYS HA 1 142 CYS H 3.600 . 4.900 3.599 2.288 4.573 . 0 0 "[ . 1 . 2]" 2 1210 1 142 CYS H 1 142 CYS HB3 3.000 . 4.100 3.358 2.678 3.867 . 0 0 "[ . 1 . 2]" 2 1211 1 117 ASP QB 1 118 SER H 3.100 . 4.300 2.608 1.829 3.965 0.071 14 0 "[ . 1 . 2]" 2 1212 1 44 ASN H 1 49 ALA MB 3.400 . 4.900 2.882 2.201 4.192 . 0 0 "[ . 1 . 2]" 2 1213 1 43 LEU HA 1 44 ASN H 2.600 . 3.400 2.265 2.019 2.547 . 0 0 "[ . 1 . 2]" 2 1214 1 98 LEU H 1 99 LYS H 2.900 . 3.600 2.195 1.932 2.826 . 0 0 "[ . 1 . 2]" 2 1215 1 64 GLY H 1 66 LYS H 5.200 . 6.000 4.492 4.265 4.896 . 0 0 "[ . 1 . 2]" 2 1216 1 129 THR H 1 129 THR HB 4.400 . 6.000 3.151 2.826 3.595 . 0 0 "[ . 1 . 2]" 2 1217 1 128 GLN HA 1 129 THR H 4.000 . 6.000 3.531 3.500 3.586 . 0 0 "[ . 1 . 2]" 2 1218 1 63 ASP HA 1 64 GLY H 2.300 . 2.900 2.118 1.891 2.207 . 0 0 "[ . 1 . 2]" 2 1219 1 64 GLY H 1 65 PRO HD3 4.200 . 6.000 4.783 4.590 5.016 . 0 0 "[ . 1 . 2]" 2 1220 1 64 GLY H 1 64 GLY HA2 2.100 . 2.600 2.300 2.271 2.339 . 0 0 "[ . 1 . 2]" 2 1221 1 97 ASP HA 1 99 LYS H 4.000 . 5.500 3.531 2.911 4.191 . 0 0 "[ . 1 . 2]" 2 1222 1 98 LEU HA 1 99 LYS H 3.800 . 5.400 3.434 3.220 3.531 . 0 0 "[ . 1 . 2]" 2 1223 1 99 LYS H 1 99 LYS HA 2.700 . 3.600 2.917 2.800 2.957 . 0 0 "[ . 1 . 2]" 2 1224 1 44 ASN H 1 58 ALA HA 3.600 . 5.200 3.464 3.147 4.248 . 0 0 "[ . 1 . 2]" 2 1225 1 63 ASP QB 1 64 GLY H 4.800 . 6.000 3.831 3.286 3.995 . 0 0 "[ . 1 . 2]" 2 1226 1 39 ARG QG 1 64 GLY H 5.200 . 6.000 4.901 3.495 6.060 0.060 16 0 "[ . 1 . 2]" 2 1227 1 62 THR MG 1 64 GLY H 3.500 . 4.700 4.022 3.420 4.804 0.104 18 0 "[ . 1 . 2]" 2 1228 1 99 LYS H 1 99 LYS QB 2.400 . 3.100 2.445 2.114 2.916 . 0 0 "[ . 1 . 2]" 2 1229 1 99 LYS H 1 99 LYS QG 2.900 . 3.900 2.609 1.895 3.948 0.048 19 0 "[ . 1 . 2]" 2 1230 1 97 ASP QB 1 99 LYS H 5.100 . 6.000 4.769 3.125 5.561 . 0 0 "[ . 1 . 2]" 2 1231 1 99 LYS H 1 100 MET HG2 4.200 . 6.000 3.673 2.734 5.204 . 0 0 "[ . 1 . 2]" 2 1232 1 44 ASN H 1 44 ASN HB3 3.400 . 4.800 2.865 2.642 3.193 . 0 0 "[ . 1 . 2]" 2 1233 1 13 ASN QD 1 16 THR H 3.400 . 4.800 2.837 1.959 3.698 0.041 3 0 "[ . 1 . 2]" 2 1234 1 66 LYS H 1 67 THR H 4.500 . 6.000 4.372 4.214 4.569 . 0 0 "[ . 1 . 2]" 2 1235 1 15 ALA H 1 16 THR MG 5.200 . 6.000 5.783 4.325 6.024 0.024 3 0 "[ . 1 . 2]" 2 1236 1 13 ASN HB3 1 13 ASN QD 2.800 . 3.800 2.403 2.170 2.847 . 0 0 "[ . 1 . 2]" 2 1237 1 13 ASN HB2 1 13 ASN QD 3.200 . 4.100 2.674 2.207 2.922 . 0 0 "[ . 1 . 2]" 2 1238 1 15 ALA H 1 16 THR HA 5.100 . 6.000 5.205 5.021 5.355 . 0 0 "[ . 1 . 2]" 2 1239 1 13 ASN HA 1 15 ALA H 3.500 . 5.000 3.691 3.424 4.017 . 0 0 "[ . 1 . 2]" 2 1240 1 15 ALA H 1 15 ALA HA 2.500 . 3.300 2.845 2.803 2.904 . 0 0 "[ . 1 . 2]" 2 1241 1 14 PRO QD 1 15 ALA H 2.900 . 4.000 2.818 2.549 3.149 . 0 0 "[ . 1 . 2]" 2 1242 1 14 PRO QG 1 15 ALA H 2.800 . 3.800 2.705 2.471 3.364 . 0 0 "[ . 1 . 2]" 2 1243 1 14 PRO HB2 1 15 ALA H 3.400 . 4.800 3.490 3.014 3.988 . 0 0 "[ . 1 . 2]" 2 1244 1 66 LYS QB 1 67 THR H 3.600 . 5.200 3.649 2.719 3.923 . 0 0 "[ . 1 . 2]" 2 1245 1 2 LYS HA 1 3 SER H 2.100 . 2.600 2.205 1.974 2.463 . 0 0 "[ . 1 . 2]" 2 1246 1 32 THR H 1 32 THR HA 3.000 . 4.200 2.934 2.893 2.984 . 0 0 "[ . 1 . 2]" 2 1247 1 31 TYR HA 1 32 THR H 2.800 . 3.600 2.229 2.086 2.400 . 0 0 "[ . 1 . 2]" 2 1248 1 31 TYR HB3 1 32 THR H 4.200 . 6.000 3.527 2.555 4.285 . 0 0 "[ . 1 . 2]" 2 1249 1 32 THR H 1 32 THR MG 3.100 . 4.300 2.392 1.884 3.955 0.016 3 0 "[ . 1 . 2]" 2 1250 1 32 THR H 1 33 ILE MG 5.000 . 6.000 4.389 3.580 5.738 . 0 0 "[ . 1 . 2]" 2 1251 1 76 THR H 1 76 THR HB 3.300 . 4.400 2.983 2.417 3.625 . 0 0 "[ . 1 . 2]" 2 1252 1 74 SER QB 1 76 THR H 4.300 . 6.000 3.664 3.020 4.453 . 0 0 "[ . 1 . 2]" 2 1253 1 76 THR H 1 77 LEU H 4.200 . 6.000 4.203 3.758 4.493 . 0 0 "[ . 1 . 2]" 2 1254 1 75 LYS H 1 76 THR H 2.800 . 3.700 3.412 2.119 3.760 0.060 18 0 "[ . 1 . 2]" 2 1255 1 95 PRO HA 1 97 ASP H 4.200 . 6.000 3.889 3.465 4.406 . 0 0 "[ . 1 . 2]" 2 1256 1 96 THR HB 1 97 ASP H 3.300 . 4.400 3.233 2.204 3.939 . 0 0 "[ . 1 . 2]" 2 1257 1 96 THR HA 1 97 ASP H 3.300 . 4.600 3.481 3.199 3.575 . 0 0 "[ . 1 . 2]" 2 1258 1 94 CYS HB3 1 97 ASP H 4.500 . 5.500 3.807 2.823 4.781 . 0 0 "[ . 1 . 2]" 2 1259 1 97 ASP H 1 97 ASP QB 3.100 . 4.300 2.585 2.197 2.973 . 0 0 "[ . 1 . 2]" 2 1260 1 94 CYS HB2 1 97 ASP H 3.900 . 5.800 2.976 2.001 4.675 . 0 0 "[ . 1 . 2]" 2 1261 1 95 PRO HB3 1 97 ASP H 4.500 . 6.000 5.825 5.464 6.065 0.065 7 0 "[ . 1 . 2]" 2 1262 1 95 PRO HB2 1 97 ASP H 4.500 . 6.000 5.119 4.713 5.595 . 0 0 "[ . 1 . 2]" 2 1263 1 97 ASP H 1 98 LEU QB 4.500 . 6.000 3.686 2.724 4.453 . 0 0 "[ . 1 . 2]" 2 1264 1 96 THR MG 1 97 ASP H 4.100 . 6.000 4.008 3.633 4.400 . 0 0 "[ . 1 . 2]" 2 1265 1 31 TYR QD 1 32 THR H 3.800 . 5.600 3.406 2.401 4.302 . 0 0 "[ . 1 . 2]" 2 1266 1 32 THR H 1 33 ILE H 4.400 2.100 6.200 4.203 4.068 4.406 . 0 0 "[ . 1 . 2]" 2 1267 1 66 LYS QG 1 67 THR H 2.900 . 4.000 3.142 2.424 4.113 0.113 17 0 "[ . 1 . 2]" 2 1268 1 34 THR MG 1 39 ARG H 3.500 . 5.000 4.540 3.463 5.078 0.078 7 0 "[ . 1 . 2]" 2 1269 1 38 ASN HB2 1 39 ARG H 2.500 . 3.300 3.110 1.876 3.469 0.169 15 0 "[ . 1 . 2]" 2 1270 1 39 ARG H 1 39 ARG HA 2.600 . 3.400 2.817 2.241 2.954 . 0 0 "[ . 1 . 2]" 2 1271 1 134 PHE H 1 134 PHE QD 3.300 . 4.700 3.346 2.983 3.612 . 0 0 "[ . 1 . 2]" 2 1272 1 133 TYR HA 1 134 PHE H 2.500 . 3.300 2.154 2.104 2.212 . 0 0 "[ . 1 . 2]" 2 1273 1 111 LYS QD 1 113 ASP H 4.300 . 6.000 3.979 3.017 4.800 . 0 0 "[ . 1 . 2]" 2 1274 1 134 PHE H 1 134 PHE HB3 4.500 . 6.000 3.788 3.651 3.864 . 0 0 "[ . 1 . 2]" 2 1275 1 134 PHE H 1 134 PHE HB2 3.100 . 4.300 2.689 2.521 2.822 . 0 0 "[ . 1 . 2]" 2 1276 1 123 LEU QD 1 134 PHE H 4.300 . 6.000 3.684 3.177 4.675 . 0 0 "[ . 1 . 2]" 2 1277 1 133 TYR HB3 1 134 PHE H 4.000 . 6.000 3.521 3.334 3.648 . 0 0 "[ . 1 . 2]" 2 1278 1 113 ASP H 1 113 ASP HB2 2.600 . 3.500 2.942 2.455 3.768 0.268 11 0 "[ . 1 . 2]" 2 1279 1 113 ASP H 1 113 ASP HA 3.000 . 4.100 2.859 2.764 2.948 . 0 0 "[ . 1 . 2]" 2 1280 1 111 LYS HA 1 113 ASP H 4.000 . 6.000 3.702 3.034 4.429 . 0 0 "[ . 1 . 2]" 2 1281 1 91 GLY HA2 1 92 ASP H 3.300 . 5.100 3.124 2.158 3.504 . 0 0 "[ . 1 . 2]" 2 1282 1 92 ASP H 1 92 ASP HB2 3.400 . 4.900 2.907 2.412 3.822 . 0 0 "[ . 1 . 2]" 2 1283 1 112 SER H 1 113 ASP H 2.600 . 3.400 2.561 1.863 3.438 0.038 16 0 "[ . 1 . 2]" 2 1284 1 25 LEU H 1 25 LEU HB2 2.200 . 2.800 2.364 1.959 2.771 . 0 0 "[ . 1 . 2]" 2 1285 1 25 LEU H 1 25 LEU HB3 2.400 . 3.100 2.911 2.407 3.315 0.215 3 0 "[ . 1 . 2]" 2 1286 1 25 LEU H 1 26 LYS QG 4.200 . 6.000 3.605 3.160 4.282 . 0 0 "[ . 1 . 2]" 2 1287 1 116 ASP HB2 1 117 ASP H 3.600 . 5.300 3.929 2.468 4.455 . 0 0 "[ . 1 . 2]" 2 1288 1 117 ASP H 1 117 ASP HA 2.900 . 3.900 2.824 2.314 2.952 . 0 0 "[ . 1 . 2]" 2 1289 1 111 LYS QD 1 138 THR H 4.300 . 6.000 5.458 4.697 6.040 0.040 20 0 "[ . 1 . 2]" 2 1290 1 114 ALA MB 1 138 THR H 4.300 . 6.000 4.334 3.931 4.974 . 0 0 "[ . 1 . 2]" 2 1291 1 138 THR H 1 141 ALA MB 3.000 . 4.100 3.135 2.715 3.561 . 0 0 "[ . 1 . 2]" 2 1292 1 109 VAL QG 1 138 THR H 2.900 . 3.900 3.627 3.336 3.799 . 0 0 "[ . 1 . 2]" 2 1293 1 138 THR H 1 141 ALA H 4.300 . 6.000 4.387 4.098 4.553 . 0 0 "[ . 1 . 2]" 2 1294 1 110 CYS HA 1 138 THR H 3.600 . 5.200 3.273 2.803 4.125 . 0 0 "[ . 1 . 2]" 2 1295 1 137 HIS HB3 1 138 THR H 4.300 . 6.000 3.831 3.547 4.359 . 0 0 "[ . 1 . 2]" 2 1296 1 43 LEU H 1 43 LEU HB2 3.000 . 4.100 3.596 2.700 3.997 . 0 0 "[ . 1 . 2]" 2 1297 1 109 VAL H 1 138 THR H 3.200 . 4.500 3.389 3.025 3.708 . 0 0 "[ . 1 . 2]" 2 1298 1 25 LEU H 1 26 LYS H 2.600 . 3.200 2.236 1.992 2.642 0.008 16 0 "[ . 1 . 2]" 2 1299 1 10 ARG HG3 1 11 VAL H 4.200 . 6.000 4.059 2.562 5.278 . 0 0 "[ . 1 . 2]" 2 1300 1 10 ARG HB2 1 11 VAL H 3.800 . 5.600 3.316 2.469 4.434 . 0 0 "[ . 1 . 2]" 2 1301 1 18 HIS H 1 18 HIS HA 2.900 . 3.900 2.930 2.898 2.951 . 0 0 "[ . 1 . 2]" 2 1302 1 17 GLY HA2 1 18 HIS H 3.700 . 5.400 3.114 2.878 3.347 . 0 0 "[ . 1 . 2]" 2 1303 1 13 ASN HB3 1 18 HIS H 3.700 . 5.400 3.778 2.895 5.240 . 0 0 "[ . 1 . 2]" 2 1304 1 53 CYS H 1 53 CYS HB3 3.700 . 5.400 3.479 2.590 3.721 . 0 0 "[ . 1 . 2]" 2 1305 1 18 HIS H 1 18 HIS HB3 3.200 . 4.500 3.011 2.532 3.734 . 0 0 "[ . 1 . 2]" 2 1306 1 18 HIS H 1 18 HIS HB2 2.700 . 3.600 2.734 2.402 3.048 . 0 0 "[ . 1 . 2]" 2 1307 1 13 ASN HB2 1 18 HIS H 5.200 . 6.000 5.307 4.650 6.002 0.002 9 0 "[ . 1 . 2]" 2 1308 1 16 THR MG 1 18 HIS H 3.700 . 5.400 3.040 2.318 4.082 . 0 0 "[ . 1 . 2]" 2 1309 1 12 THR MG 1 18 HIS H 3.900 . 5.800 4.195 3.214 4.839 . 0 0 "[ . 1 . 2]" 2 1310 1 30 GLY HA2 1 31 TYR H 3.600 . 5.200 2.704 2.352 3.356 . 0 0 "[ . 1 . 2]" 2 1311 1 31 TYR H 1 31 TYR HB3 3.500 . 5.000 3.163 2.651 3.685 . 0 0 "[ . 1 . 2]" 2 1312 1 31 TYR H 1 31 TYR QD 3.500 . 5.000 3.541 2.444 4.449 . 0 0 "[ . 1 . 2]" 2 1313 1 6 GLN QG 1 7 ASN H 4.000 . 6.000 4.116 2.729 4.861 . 0 0 "[ . 1 . 2]" 2 1314 1 6 GLN HB2 1 7 ASN H 3.800 . 5.400 3.246 1.952 4.433 0.048 5 0 "[ . 1 . 2]" 2 1315 1 6 GLN HB3 1 7 ASN H 3.300 . 4.300 3.335 1.955 4.335 0.035 2 0 "[ . 1 . 2]" 2 1316 1 11 VAL H 1 77 LEU QD 4.000 . 5.700 2.872 2.282 4.057 . 0 0 "[ . 1 . 2]" 2 1317 1 12 THR H 1 12 THR HA 3.000 . 4.100 2.914 2.880 2.941 . 0 0 "[ . 1 . 2]" 2 1318 1 99 LYS QB 1 100 MET H 3.400 . 4.900 3.650 2.458 4.059 . 0 0 "[ . 1 . 2]" 2 1319 1 98 LEU HB2 1 100 MET H 3.900 . 5.800 4.476 4.096 4.894 . 0 0 "[ . 1 . 2]" 2 1320 1 99 LYS QG 1 100 MET H 4.000 . 6.000 3.931 2.302 4.757 . 0 0 "[ . 1 . 2]" 2 1321 1 5 VAL QG 1 7 ASN H 4.000 . 6.000 3.630 1.959 5.523 . 0 0 "[ . 1 . 2]" 2 1322 1 53 CYS H 1 57 ALA MB 4.700 . 6.000 4.457 3.142 5.112 . 0 0 "[ . 1 . 2]" 2 1323 1 50 LYS HB3 1 51 SER H 3.800 . 5.600 3.735 2.138 4.442 . 0 0 "[ . 1 . 2]" 2 1324 1 50 LYS HB2 1 51 SER H 3.400 . 4.800 4.056 3.588 4.527 . 0 0 "[ . 1 . 2]" 2 1325 1 53 CYS H 1 53 CYS HB2 3.400 . 4.800 2.653 2.315 3.688 . 0 0 "[ . 1 . 2]" 2 1326 1 12 THR H 1 12 THR MG 3.900 . 5.800 3.793 3.739 3.913 . 0 0 "[ . 1 . 2]" 2 1327 1 17 GLY HA3 1 18 HIS H 3.400 . 4.800 3.273 3.001 3.452 . 0 0 "[ . 1 . 2]" 2 1328 1 52 SER HB3 1 53 CYS H 3.200 . 4.500 4.123 3.220 4.488 . 0 0 "[ . 1 . 2]" 2 1329 1 99 LYS HA 1 100 MET H 3.300 . 4.400 3.178 2.876 3.485 . 0 0 "[ . 1 . 2]" 2 1330 1 42 GLU QG 1 43 LEU H 4.000 . 5.000 4.037 2.887 4.998 . 0 0 "[ . 1 . 2]" 2 1331 1 11 VAL H 1 11 VAL HB 3.500 . 5.100 3.301 3.155 3.459 . 0 0 "[ . 1 . 2]" 2 1332 1 10 ARG HB3 1 11 VAL H 4.200 . 6.000 3.993 3.213 4.491 . 0 0 "[ . 1 . 2]" 2 1333 1 11 VAL H 1 20 PHE QD 4.500 . 6.000 4.798 3.818 5.299 . 0 0 "[ . 1 . 2]" 2 1334 1 11 VAL H 1 20 PHE H 2.900 . 4.000 3.198 2.926 3.541 . 0 0 "[ . 1 . 2]" 2 1335 1 125 PHE H 1 125 PHE QD 4.800 . 6.000 4.224 4.087 4.321 . 0 0 "[ . 1 . 2]" 2 1336 1 125 PHE H 1 134 PHE QE 4.000 . 6.000 5.882 5.360 6.059 0.059 13 0 "[ . 1 . 2]" 2 1337 1 124 SER H 1 125 PHE H 4.700 . 6.000 4.160 4.115 4.252 . 0 0 "[ . 1 . 2]" 2 1338 1 124 SER QB 1 125 PHE H 3.100 . 4.300 3.030 2.566 3.590 . 0 0 "[ . 1 . 2]" 2 1339 1 125 PHE H 1 125 PHE HB3 3.000 . 4.100 2.531 2.313 2.731 . 0 0 "[ . 1 . 2]" 2 1340 1 125 PHE H 1 125 PHE HB2 3.000 . 4.100 2.952 2.593 3.323 . 0 0 "[ . 1 . 2]" 2 1341 1 37 HIS H 1 38 ASN HA 3.800 . 5.800 4.805 4.313 5.674 . 0 0 "[ . 1 . 2]" 2 1342 1 36 SER QB 1 37 HIS H 3.900 . 5.800 2.876 2.341 3.772 . 0 0 "[ . 1 . 2]" 2 1343 1 37 HIS H 1 37 HIS HB3 3.000 . 4.100 3.266 2.429 4.063 . 0 0 "[ . 1 . 2]" 2 1344 1 7 ASN H 1 8 ASP H 3.000 . 4.500 2.826 2.000 4.223 . 0 0 "[ . 1 . 2]" 2 1345 1 8 ASP H 1 9 CYS H 3.100 . 4.300 3.550 2.441 4.397 0.097 2 0 "[ . 1 . 2]" 2 1346 1 7 ASN HA 1 8 ASP H 3.000 . 4.100 3.427 2.483 3.556 . 0 0 "[ . 1 . 2]" 2 1347 1 4 ASN HA 1 5 VAL H 2.800 . 3.500 2.227 1.981 3.483 . 0 0 "[ . 1 . 2]" 2 1348 1 44 ASN HA 1 45 VAL H 2.500 . 3.300 2.161 2.007 2.334 . 0 0 "[ . 1 . 2]" 2 1349 1 101 LYS H 1 101 LYS HA 2.800 . 3.800 2.928 2.892 2.961 . 0 0 "[ . 1 . 2]" 2 1350 1 8 ASP H 1 8 ASP QB 2.600 . 3.400 2.745 2.323 3.367 . 0 0 "[ . 1 . 2]" 2 1351 1 4 ASN HB3 1 5 VAL H 3.000 . 4.100 3.898 1.904 4.319 0.219 3 0 "[ . 1 . 2]" 2 1352 1 5 VAL H 1 5 VAL HB 2.700 . 6.000 3.061 2.443 3.777 . 0 0 "[ . 1 . 2]" 2 1353 1 6 GLN QG 1 8 ASP H 4.600 . 6.000 5.102 4.568 5.703 . 0 0 "[ . 1 . 2]" 2 1354 1 5 VAL H 1 6 GLN QG 4.800 . 6.000 4.863 4.023 5.630 . 0 0 "[ . 1 . 2]" 2 1355 1 100 MET HB3 1 101 LYS H 3.600 . 5.200 3.602 1.924 4.397 0.076 8 0 "[ . 1 . 2]" 2 1356 1 100 MET HB2 1 101 LYS H 3.400 . 4.800 2.885 1.997 3.925 0.003 1 0 "[ . 1 . 2]" 2 1357 1 45 VAL H 1 45 VAL HB 2.600 . 3.400 2.622 2.400 3.500 0.100 18 0 "[ . 1 . 2]" 2 1358 1 45 VAL H 1 45 VAL MG2 2.700 . 3.600 2.772 1.765 3.821 0.221 20 0 "[ . 1 . 2]" 2 1359 1 13 ASN H 1 13 ASN HB2 3.100 . 4.000 2.989 2.688 3.798 . 0 0 "[ . 1 . 2]" 2 1360 1 12 THR HB 1 13 ASN H 3.600 . 5.200 4.110 3.927 4.335 . 0 0 "[ . 1 . 2]" 2 1361 1 13 ASN H 1 13 ASN HB3 2.700 . 3.600 2.579 2.451 2.963 . 0 0 "[ . 1 . 2]" 2 1362 1 12 THR HA 1 13 ASN H 2.300 . 2.900 2.204 2.168 2.275 . 0 0 "[ . 1 . 2]" 2 1363 1 83 VAL H 1 83 VAL HB 2.400 . 3.100 2.621 2.471 2.861 . 0 0 "[ . 1 . 2]" 2 1364 1 81 ASP HB3 1 83 VAL H 3.700 . 5.400 3.309 2.845 3.895 . 0 0 "[ . 1 . 2]" 2 1365 1 83 VAL H 1 83 VAL HA 2.800 . 3.700 2.919 2.870 2.950 . 0 0 "[ . 1 . 2]" 2 1366 1 80 GLU HA 1 83 VAL H 4.300 . 6.000 4.656 4.160 5.112 . 0 0 "[ . 1 . 2]" 2 1367 1 82 GLN HA 1 83 VAL H 3.000 . 4.100 3.114 2.772 3.407 . 0 0 "[ . 1 . 2]" 2 1368 1 148 ARG H 1 148 ARG QB 2.500 . 3.300 2.735 2.428 3.326 0.026 18 0 "[ . 1 . 2]" 2 1369 1 148 ARG H 1 148 ARG QG 3.000 . 4.100 2.902 2.146 3.738 . 0 0 "[ . 1 . 2]" 2 1370 1 143 GLU HG3 1 144 GLU H 3.800 . 5.200 4.323 2.918 5.804 0.604 18 1 "[ . 1 . + 2]" 2 1371 1 143 GLU QB 1 144 GLU H 3.800 . 5.300 2.790 1.967 4.009 0.033 2 0 "[ . 1 . 2]" 2 1372 1 147 PRO HB3 1 148 ARG H 3.800 . 5.600 4.321 3.765 4.663 . 0 0 "[ . 1 . 2]" 2 1373 1 116 ASP H 1 116 ASP HB2 2.700 . 3.600 3.156 2.381 3.807 0.207 8 0 "[ . 1 . 2]" 2 1374 1 115 GLY HA3 1 116 ASP H 2.500 . 3.100 2.503 2.019 3.487 0.387 7 0 "[ . 1 . 2]" 2 1375 1 115 GLY HA2 1 116 ASP H 2.800 . 3.800 3.088 2.268 3.504 . 0 0 "[ . 1 . 2]" 2 1376 1 119 GLN H 1 119 GLN HA 2.400 . 3.100 2.897 2.829 2.940 . 0 0 "[ . 1 . 2]" 2 1377 1 82 GLN H 1 83 VAL H 2.600 . 3.400 2.748 2.384 3.097 . 0 0 "[ . 1 . 2]" 2 1378 1 81 ASP H 1 83 VAL H 4.300 . 6.000 4.186 3.962 4.428 . 0 0 "[ . 1 . 2]" 2 1379 1 83 VAL H 1 84 LEU H 4.100 . 6.000 4.470 4.352 4.595 . 0 0 "[ . 1 . 2]" 2 1380 1 144 GLU H 1 145 GLU H 3.800 . 5.600 3.543 1.972 4.407 0.028 1 0 "[ . 1 . 2]" 2 1381 1 21 ASP H 1 22 LEU H 3.900 . 5.800 4.109 3.966 4.361 . 0 0 "[ . 1 . 2]" 2 1382 1 20 PHE QD 1 21 ASP H 4.700 . 6.000 4.153 3.876 4.724 . 0 0 "[ . 1 . 2]" 2 1383 1 21 ASP H 1 21 ASP HB3 3.300 . 4.600 3.048 2.435 3.837 . 0 0 "[ . 1 . 2]" 2 1384 1 144 GLU H 1 144 GLU QG 3.100 . 4.300 3.684 2.159 4.370 0.070 5 0 "[ . 1 . 2]" 2 1385 1 144 GLU H 1 144 GLU HB3 3.100 . 6.000 3.262 2.516 4.099 . 0 0 "[ . 1 . 2]" 2 1386 1 143 GLU HA 1 144 GLU H 3.300 . 6.300 3.262 2.099 3.578 . 0 0 "[ . 1 . 2]" 2 1387 1 142 CYS HB3 1 144 GLU H 4.200 . 6.000 4.945 3.774 6.384 0.384 9 0 "[ . 1 . 2]" 2 1388 1 144 GLU H 1 144 GLU HA 2.600 . 3.400 2.715 2.179 2.928 . 0 0 "[ . 1 . 2]" 2 1389 1 20 PHE HB3 1 21 ASP H 3.500 . 5.100 3.550 3.000 3.845 . 0 0 "[ . 1 . 2]" 2 1390 1 21 ASP H 1 21 ASP HB2 2.900 . 4.000 3.549 2.811 3.974 . 0 0 "[ . 1 . 2]" 2 1391 1 20 PHE HB2 1 21 ASP H 4.300 . 6.000 4.276 4.008 4.487 . 0 0 "[ . 1 . 2]" 2 1392 1 4 ASN H 1 27 ARG HA 4.100 . 6.000 5.575 3.479 6.031 0.031 7 0 "[ . 1 . 2]" 2 1393 1 4 ASN H 1 4 ASN HA 2.600 . 3.400 2.917 2.819 2.954 . 0 0 "[ . 1 . 2]" 2 1394 1 3 SER QB 1 4 ASN H 2.400 . 6.000 2.592 1.823 3.982 . 0 0 "[ . 1 . 2]" 2 1395 1 4 ASN H 1 4 ASN HB3 2.900 . 3.900 2.706 2.274 3.741 . 0 0 "[ . 1 . 2]" 2 1396 1 4 ASN H 1 5 VAL QG 4.400 . 6.000 4.643 3.583 5.307 . 0 0 "[ . 1 . 2]" 2 1397 1 4 ASN H 1 5 VAL H 3.700 . 5.400 4.162 2.836 4.566 . 0 0 "[ . 1 . 2]" 2 1398 1 65 PRO HA 1 65 PRO HG3 4.100 . 6.000 3.795 3.232 4.052 . 0 0 "[ . 1 . 2]" 2 1399 1 66 LYS H 1 66 LYS QG 3.500 . 5.000 3.780 2.099 4.156 . 0 0 "[ . 1 . 2]" 2 1400 1 57 ALA H 1 57 ALA MB 2.300 . 2.900 2.290 2.218 2.383 . 0 0 "[ . 1 . 2]" 2 1401 1 66 LYS H 1 66 LYS HA 2.500 . 3.300 2.902 2.854 2.946 . 0 0 "[ . 1 . 2]" 2 1402 1 26 LYS H 1 26 LYS HA 2.400 . 3.100 2.855 2.787 2.915 . 0 0 "[ . 1 . 2]" 2 1403 1 57 ALA H 1 57 ALA HA 2.400 . 3.100 2.897 2.773 2.936 . 0 0 "[ . 1 . 2]" 2 1404 1 56 GLY HA3 1 57 ALA H 3.600 . 5.200 3.269 2.937 3.366 . 0 0 "[ . 1 . 2]" 2 1405 1 35 ASP H 1 41 ILE MD 4.500 . 6.000 4.092 3.743 4.425 . 0 0 "[ . 1 . 2]" 2 1406 1 34 THR HB 1 35 ASP H 3.400 . 4.900 3.845 3.637 4.101 . 0 0 "[ . 1 . 2]" 2 1407 1 35 ASP H 1 35 ASP QB 3.100 . 4.300 2.271 2.012 2.423 . 0 0 "[ . 1 . 2]" 2 1408 1 34 THR HA 1 35 ASP H 2.000 . 2.500 2.263 2.009 2.419 . 0 0 "[ . 1 . 2]" 2 1409 1 35 ASP H 1 35 ASP HA 3.000 . 4.200 2.884 2.836 2.935 . 0 0 "[ . 1 . 2]" 2 1410 1 33 ILE H 1 33 ILE HB 4.200 . 6.000 3.539 3.122 3.686 . 0 0 "[ . 1 . 2]" 2 1411 1 75 LYS H 1 75 LYS QB 3.500 . 4.000 2.542 2.126 3.131 . 0 0 "[ . 1 . 2]" 2 1412 1 89 GLU H 1 89 GLU HG3 2.500 . 3.300 2.904 2.082 4.094 0.794 9 1 "[ . +1 . 2]" 2 1413 1 89 GLU H 1 89 GLU HB3 3.600 . 5.200 2.518 1.781 3.325 0.219 19 0 "[ . 1 . 2]" 2 1414 1 33 ILE H 1 41 ILE HB 3.300 . 4.700 3.276 2.436 3.933 . 0 0 "[ . 1 . 2]" 2 1415 1 32 THR MG 1 33 ILE H 3.700 . 5.400 3.490 2.445 3.984 . 0 0 "[ . 1 . 2]" 2 1416 1 33 ILE H 1 33 ILE MG 3.100 . 4.300 3.524 3.251 3.946 . 0 0 "[ . 1 . 2]" 2 1417 1 88 TYR HA 1 89 GLU H 2.200 . 2.700 2.082 1.937 2.258 . 0 0 "[ . 1 . 2]" 2 1418 1 88 TYR QD 1 89 GLU H 4.300 . 6.000 3.900 3.428 4.728 . 0 0 "[ . 1 . 2]" 2 1419 1 74 SER HB2 1 75 LYS H 4.700 . 6.000 4.307 3.742 4.559 . 0 0 "[ . 1 . 2]" 2 1420 1 113 ASP HA 1 114 ALA H 3.500 . 6.000 3.376 2.458 3.633 . 0 0 "[ . 1 . 2]" 2 1421 1 114 ALA H 1 115 GLY HA3 4.000 . 5.000 4.789 3.379 5.198 0.198 1 0 "[ . 1 . 2]" 2 1422 1 114 ALA H 1 115 GLY HA2 4.200 . 5.200 4.640 3.755 5.317 0.117 20 0 "[ . 1 . 2]" 2 1423 1 113 ASP HB3 1 114 ALA H 3.400 . 6.000 3.340 1.749 4.676 . 0 0 "[ . 1 . 2]" 2 1424 1 113 ASP HB2 1 114 ALA H 3.000 . 6.000 3.693 1.776 4.498 . 0 0 "[ . 1 . 2]" 2 1425 1 111 LYS QB 1 114 ALA H 4.300 . 6.000 3.315 2.347 6.005 0.005 20 0 "[ . 1 . 2]" 2 1426 1 114 ALA H 1 114 ALA MB 2.200 . 2.800 2.536 2.242 2.890 0.090 20 0 "[ . 1 . 2]" 2 1427 1 144 GLU QG 1 145 GLU H 3.900 . 5.800 3.306 1.957 4.520 0.043 5 0 "[ . 1 . 2]" 2 1428 1 145 GLU H 1 146 VAL QG 4.700 . 6.000 4.418 3.159 5.285 . 0 0 "[ . 1 . 2]" 2 1429 1 39 ARG QB 1 40 LYS H 2.400 . 3.100 2.378 1.856 3.262 0.162 18 0 "[ . 1 . 2]" 2 1430 1 40 LYS H 1 40 LYS QB 2.800 . 3.800 2.501 2.336 2.885 . 0 0 "[ . 1 . 2]" 2 1431 1 85 LYS H 1 85 LYS HA 3.000 . 4.100 2.926 2.898 2.973 . 0 0 "[ . 1 . 2]" 2 1432 1 144 GLU HA 1 145 GLU H 2.800 . 3.600 2.651 2.091 3.535 . 0 0 "[ . 1 . 2]" 2 1433 1 40 LYS H 1 40 LYS HA 2.800 . 3.800 2.931 2.896 2.960 . 0 0 "[ . 1 . 2]" 2 1434 1 145 GLU H 1 147 PRO HD2 4.400 . 6.000 5.968 5.464 6.496 0.496 16 0 "[ . 1 . 2]" 2 1435 1 114 ALA H 1 115 GLY H 3.300 . 4.400 2.564 2.021 3.546 . 0 0 "[ . 1 . 2]" 2 1436 1 113 ASP H 1 114 ALA H 2.400 . 3.100 2.726 2.230 3.170 0.070 3 0 "[ . 1 . 2]" 2 1437 1 145 GLU H 1 146 VAL H 3.300 . 4.700 3.995 3.389 4.300 . 0 0 "[ . 1 . 2]" 2 1438 1 40 LYS H 1 60 CYS H 3.800 . 5.500 3.483 3.093 4.187 . 0 0 "[ . 1 . 2]" 2 1439 1 145 GLU HA 1 146 VAL H 1.800 . 2.200 2.153 2.038 2.257 0.057 1 0 "[ . 1 . 2]" 2 1440 1 146 VAL H 1 146 VAL HA 2.300 . 3.000 2.880 2.750 2.948 . 0 0 "[ . 1 . 2]" 2 1441 1 53 CYS HB3 1 54 ALA H 4.100 . 6.000 2.650 1.787 3.776 0.213 1 0 "[ . 1 . 2]" 2 1442 1 53 CYS HB2 1 54 ALA H 3.300 . 4.600 2.960 1.783 4.307 0.017 10 0 "[ . 1 . 2]" 2 1443 1 145 GLU QG 1 146 VAL H 4.000 . 6.000 3.513 2.195 4.698 . 0 0 "[ . 1 . 2]" 2 1444 1 146 VAL H 1 146 VAL HB 2.200 . 2.800 2.638 2.516 2.867 0.067 17 0 "[ . 1 . 2]" 2 1445 1 94 CYS H 1 97 ASP QB 3.500 . 5.000 3.347 2.003 4.718 . 0 0 "[ . 1 . 2]" 2 1446 1 53 CYS HA 1 54 ALA H 2.600 . 3.600 2.975 2.352 3.609 0.009 19 0 "[ . 1 . 2]" 2 1447 1 111 LYS HA 1 112 SER H 2.200 . 2.800 2.181 2.034 2.451 . 0 0 "[ . 1 . 2]" 2 1448 1 112 SER H 1 112 SER HB3 2.900 . 3.900 3.333 2.542 3.753 . 0 0 "[ . 1 . 2]" 2 1449 1 112 SER H 1 112 SER HB2 2.900 . 3.900 2.571 2.342 3.384 . 0 0 "[ . 1 . 2]" 2 1450 1 105 TYR HA 1 106 PHE H 2.300 . 3.000 2.137 2.047 2.250 . 0 0 "[ . 1 . 2]" 2 1451 1 106 PHE H 1 106 PHE QD 3.200 . 4.500 3.325 2.456 4.273 . 0 0 "[ . 1 . 2]" 2 1452 1 86 LEU H 1 106 PHE H 3.100 . 4.300 3.111 2.744 3.625 . 0 0 "[ . 1 . 2]" 2 1453 1 111 LYS QB 1 112 SER H 4.500 . 6.000 3.725 3.067 4.000 . 0 0 "[ . 1 . 2]" 2 1454 1 111 LYS QD 1 112 SER H 4.500 . 6.000 4.593 2.897 5.516 . 0 0 "[ . 1 . 2]" 2 1455 1 111 LYS QG 1 112 SER H 3.600 . 5.200 2.995 2.133 3.645 . 0 0 "[ . 1 . 2]" 2 1456 1 84 LEU H 1 108 PHE H 3.400 . 4.900 3.637 3.280 3.902 . 0 0 "[ . 1 . 2]" 2 1457 1 5 VAL QG 1 6 GLN H 3.300 . 4.700 3.139 2.006 3.651 . 0 0 "[ . 1 . 2]" 2 1458 1 83 VAL QG 1 84 LEU H 2.800 . 3.700 2.258 1.931 2.676 . 0 0 "[ . 1 . 2]" 2 1459 1 143 GLU H 1 143 GLU QB 2.800 . 3.800 2.391 2.034 2.943 . 0 0 "[ . 1 . 2]" 2 1460 1 110 CYS H 1 110 CYS HB2 2.700 . 3.600 3.182 2.483 3.610 0.010 2 0 "[ . 1 . 2]" 2 1461 1 84 LEU H 1 84 LEU HB3 3.100 . 4.300 2.433 2.373 2.515 . 0 0 "[ . 1 . 2]" 2 1462 1 84 LEU H 1 84 LEU HB2 2.500 . 3.300 2.587 2.471 2.728 . 0 0 "[ . 1 . 2]" 2 1463 1 5 VAL HA 1 6 GLN H 1.800 . 2.200 2.125 1.940 2.268 0.068 12 0 "[ . 1 . 2]" 2 1464 1 6 GLN H 1 6 GLN HA 2.400 . 3.100 2.901 2.795 2.958 . 0 0 "[ . 1 . 2]" 2 1465 1 110 CYS H 1 110 CYS HA 2.700 . 3.600 2.786 2.669 2.861 . 0 0 "[ . 1 . 2]" 2 1466 1 142 CYS HA 1 143 GLU H 2.800 . 3.600 2.569 2.026 2.886 . 0 0 "[ . 1 . 2]" 2 1467 1 142 CYS HB3 1 143 GLU H 3.600 . 5.200 3.544 2.212 4.093 . 0 0 "[ . 1 . 2]" 2 1468 1 110 CYS H 1 110 CYS HB3 3.200 . 4.500 2.919 2.352 3.553 . 0 0 "[ . 1 . 2]" 2 1469 1 142 CYS HB2 1 143 GLU H 3.000 . 4.100 2.627 1.945 4.235 0.135 13 0 "[ . 1 . 2]" 2 1470 1 143 GLU H 1 144 GLU H 3.300 . 4.300 2.448 1.846 3.630 . 0 0 "[ . 1 . 2]" 2 1471 1 142 CYS H 1 143 GLU H 4.100 . 6.000 4.307 3.901 4.476 . 0 0 "[ . 1 . 2]" 2 1472 1 48 GLU QG 1 49 ALA H 4.400 . 6.000 4.182 3.819 4.468 . 0 0 "[ . 1 . 2]" 2 1473 1 48 GLU HB2 1 49 ALA H 3.500 . 5.000 3.579 2.574 4.329 . 0 0 "[ . 1 . 2]" 2 1474 1 48 GLU HB3 1 49 ALA H 3.600 . 5.200 3.550 2.969 4.161 . 0 0 "[ . 1 . 2]" 2 1475 1 49 ALA H 1 58 ALA MB 3.700 . 5.400 3.818 3.203 4.440 . 0 0 "[ . 1 . 2]" 2 1476 1 97 ASP HA 1 98 LEU H 2.800 . 6.000 2.485 2.033 3.371 . 0 0 "[ . 1 . 2]" 2 1477 1 98 LEU H 1 98 LEU HA 2.700 . 3.600 2.908 2.777 2.944 . 0 0 "[ . 1 . 2]" 2 1478 1 97 ASP QB 1 98 LEU H 3.500 . 5.100 3.759 2.952 3.976 . 0 0 "[ . 1 . 2]" 2 1479 1 98 LEU H 1 98 LEU HB3 2.800 . 3.800 3.483 2.439 3.747 . 0 0 "[ . 1 . 2]" 2 1480 1 98 LEU H 1 98 LEU HB2 2.700 . 3.600 2.705 2.385 3.769 0.169 5 0 "[ . 1 . 2]" 2 1481 1 97 ASP H 1 98 LEU H 3.300 . 4.300 3.167 2.431 3.914 . 0 0 "[ . 1 . 2]" 2 1482 1 26 LYS HA 1 27 ARG H 2.400 . 3.000 2.177 2.025 2.350 . 0 0 "[ . 1 . 2]" 2 1483 1 78 THR HA 1 79 TYR H 2.500 . 3.300 2.414 2.080 2.701 . 0 0 "[ . 1 . 2]" 2 1484 1 79 TYR H 1 79 TYR QB 2.700 . 3.600 3.036 2.813 3.262 . 0 0 "[ . 1 . 2]" 2 1485 1 79 TYR H 1 80 GLU H 4.600 . 6.000 4.333 4.167 4.517 . 0 0 "[ . 1 . 2]" 2 1486 1 79 TYR H 1 79 TYR QD 2.900 . 3.900 2.726 2.182 3.180 . 0 0 "[ . 1 . 2]" 2 1487 1 11 VAL MG1 1 79 TYR H 3.800 . 5.400 3.594 2.574 4.449 . 0 0 "[ . 1 . 2]" 2 1488 1 78 THR MG 1 79 TYR H 3.300 . 4.500 3.762 3.185 4.300 . 0 0 "[ . 1 . 2]" 2 1489 1 26 LYS QG 1 27 ARG H 4.200 . 6.000 4.177 3.639 4.632 . 0 0 "[ . 1 . 2]" 2 1490 1 50 LYS H 1 50 LYS HB2 2.500 . 3.300 2.593 2.271 3.049 . 0 0 "[ . 1 . 2]" 2 1491 1 50 LYS H 1 50 LYS QG 3.600 . 5.200 3.698 2.374 4.144 . 0 0 "[ . 1 . 2]" 2 1492 1 50 LYS H 1 50 LYS HA 2.800 . 3.800 2.921 2.831 2.954 . 0 0 "[ . 1 . 2]" 2 1493 1 81 ASP H 1 81 ASP HA 2.000 . 2.500 2.268 2.219 2.312 . 0 0 "[ . 1 . 2]" 2 1494 1 81 ASP H 1 81 ASP HB3 3.700 . 5.400 3.801 3.114 4.205 . 0 0 "[ . 1 . 2]" 2 1495 1 80 GLU QG 1 81 ASP H 3.500 . 5.100 3.412 2.296 4.555 . 0 0 "[ . 1 . 2]" 2 1496 1 80 GLU HB3 1 81 ASP H 3.800 . 5.500 3.920 2.944 4.394 . 0 0 "[ . 1 . 2]" 2 1497 1 80 GLU HB2 1 81 ASP H 3.800 . 5.700 4.275 3.919 4.502 . 0 0 "[ . 1 . 2]" 2 1498 1 72 LYS H 1 72 LYS QB 2.800 . 3.800 2.606 2.358 2.826 . 0 0 "[ . 1 . 2]" 2 1499 1 72 LYS H 1 72 LYS QG 2.300 . 3.000 2.167 1.987 2.480 0.013 10 0 "[ . 1 . 2]" 2 1500 1 72 LYS H 1 90 ASP HB3 3.300 . 4.500 3.709 3.046 4.520 0.020 19 0 "[ . 1 . 2]" 2 1501 1 49 ALA HA 1 50 LYS H 2.300 . 2.900 2.102 2.001 2.278 . 0 0 "[ . 1 . 2]" 2 1502 1 10 ARG HA 1 22 LEU H 3.800 . 4.800 3.957 3.454 4.454 . 0 0 "[ . 1 . 2]" 2 1503 1 21 ASP HA 1 22 LEU H 2.500 . 3.300 2.096 1.960 2.296 . 0 0 "[ . 1 . 2]" 2 1504 1 21 ASP HB2 1 22 LEU H 4.900 . 6.000 3.672 2.760 4.407 . 0 0 "[ . 1 . 2]" 2 1505 1 22 LEU H 1 22 LEU HG 3.200 . 4.500 2.656 2.303 3.333 . 0 0 "[ . 1 . 2]" 2 1506 1 8 ASP QB 1 9 CYS H 3.500 . 4.700 2.220 1.904 3.391 0.096 6 0 "[ . 1 . 2]" 2 1507 1 81 ASP H 1 82 GLN H 2.800 . 3.600 2.549 2.246 3.423 . 0 0 "[ . 1 . 2]" 2 1508 1 108 PHE H 1 108 PHE QD 3.100 . 4.300 2.593 2.248 2.851 . 0 0 "[ . 1 . 2]" 2 1509 1 85 LYS HA 1 108 PHE H 3.800 . 6.000 3.164 2.801 3.547 . 0 0 "[ . 1 . 2]" 2 1510 1 50 LYS H 1 51 SER H 4.000 . 5.500 2.415 1.997 3.952 . 0 0 "[ . 1 . 2]" 2 1511 1 50 LYS H 1 50 LYS HB3 2.800 . 3.800 2.959 2.417 3.806 0.006 17 0 "[ . 1 . 2]" 2 1512 1 87 VAL H 1 87 VAL HB 3.100 . 4.300 3.786 3.706 3.884 . 0 0 "[ . 1 . 2]" 2 1513 1 86 LEU H 1 108 PHE QE 4.200 . 6.000 3.544 2.958 4.529 . 0 0 "[ . 1 . 2]" 2 1514 1 121 VAL QG 1 122 PHE H 2.900 . 3.900 2.849 2.556 3.113 . 0 0 "[ . 1 . 2]" 2 1515 1 122 PHE H 1 122 PHE HB3 2.800 . 3.700 2.823 2.668 3.079 . 0 0 "[ . 1 . 2]" 2 1516 1 122 PHE H 1 122 PHE HB2 3.700 . 5.500 3.683 3.619 3.739 . 0 0 "[ . 1 . 2]" 2 1517 1 121 VAL HB 1 122 PHE H 4.100 . 6.000 4.231 3.996 4.368 . 0 0 "[ . 1 . 2]" 2 1518 1 27 ARG HA 1 28 GLU H 3.100 . 4.300 2.574 2.326 2.839 . 0 0 "[ . 1 . 2]" 2 1519 1 28 GLU H 1 28 GLU QG 3.300 . 4.700 2.926 1.921 4.076 . 0 0 "[ . 1 . 2]" 2 1520 1 27 ARG HB3 1 28 GLU H 3.700 . 5.400 3.520 2.246 3.946 . 0 0 "[ . 1 . 2]" 2 1521 1 27 ARG HG3 1 28 GLU H 3.900 . 5.800 3.592 2.940 4.513 . 0 0 "[ . 1 . 2]" 2 1522 1 27 ARG HB2 1 28 GLU H 2.400 . 3.100 2.230 1.848 2.787 . 0 0 "[ . 1 . 2]" 2 1523 1 105 TYR H 1 105 TYR HB2 3.800 . 5.600 2.459 2.303 2.945 . 0 0 "[ . 1 . 2]" 2 1524 1 122 PHE H 1 122 PHE QD 2.800 . 3.800 2.168 1.933 2.694 . 0 0 "[ . 1 . 2]" 2 1525 1 27 ARG H 1 28 GLU H 4.000 . 5.800 4.320 4.174 4.418 . 0 0 "[ . 1 . 2]" 2 1526 1 13 ASN H 1 20 PHE H 4.400 . 6.000 3.708 3.131 4.617 . 0 0 "[ . 1 . 2]" 2 1527 1 19 LEU H 1 20 PHE H 5.000 . 6.000 4.444 4.268 4.568 . 0 0 "[ . 1 . 2]" 2 1528 1 20 PHE H 1 20 PHE QD 2.700 . 3.600 3.169 2.432 3.382 . 0 0 "[ . 1 . 2]" 2 1529 1 19 LEU HA 1 20 PHE H 2.100 . 2.700 2.181 2.121 2.243 . 0 0 "[ . 1 . 2]" 2 1530 1 62 THR H 1 62 THR HB 3.000 . 4.100 2.826 2.553 3.464 . 0 0 "[ . 1 . 2]" 2 1531 1 20 PHE H 1 20 PHE HB3 3.600 . 5.300 3.627 3.591 3.667 . 0 0 "[ . 1 . 2]" 2 1532 1 20 PHE H 1 20 PHE HB2 2.500 . 3.300 2.468 2.377 2.561 . 0 0 "[ . 1 . 2]" 2 1533 1 19 LEU HB3 1 20 PHE H 4.200 . 6.000 3.227 2.420 4.010 . 0 0 "[ . 1 . 2]" 2 1534 1 69 ASN H 1 69 ASN HB3 3.800 . 5.600 2.850 2.407 3.668 . 0 0 "[ . 1 . 2]" 2 1535 1 69 ASN H 1 69 ASN HB2 3.000 . 4.100 2.655 2.435 2.945 . 0 0 "[ . 1 . 2]" 2 1536 1 42 GLU H 1 60 CYS H 3.600 . 5.200 3.546 3.287 3.830 . 0 0 "[ . 1 . 2]" 2 1537 1 42 GLU H 1 59 VAL MG1 4.400 . 6.000 4.653 4.028 6.518 0.518 14 1 "[ . 1 +. 2]" 2 1538 1 35 ASP QB 1 42 GLU H 5.400 . 6.000 5.798 5.668 5.933 . 0 0 "[ . 1 . 2]" 2 1539 1 42 GLU H 1 42 GLU QG 4.000 . 6.000 3.305 2.154 4.194 . 0 0 "[ . 1 . 2]" 2 1540 1 63 ASP H 1 67 THR MG 4.800 . 6.000 4.815 4.006 5.582 . 0 0 "[ . 1 . 2]" 2 1541 1 62 THR HA 1 63 ASP H 3.000 . 3.700 2.129 2.056 2.232 . 0 0 "[ . 1 . 2]" 2 1542 1 62 THR HB 1 63 ASP H 4.500 . 6.000 4.170 3.490 4.377 . 0 0 "[ . 1 . 2]" 2 1543 1 63 ASP H 1 63 ASP QB 3.300 . 4.500 2.551 2.259 3.146 . 0 0 "[ . 1 . 2]" 2 1544 1 41 ILE HA 1 42 GLU H 2.700 . 3.600 2.054 1.929 2.197 . 0 0 "[ . 1 . 2]" 2 1545 1 63 ASP H 1 64 GLY H 3.800 . 5.600 3.965 3.471 4.128 . 0 0 "[ . 1 . 2]" 2 1546 1 33 ILE H 1 41 ILE H 3.100 . 4.300 3.305 2.930 3.662 . 0 0 "[ . 1 . 2]" 2 1547 1 40 LYS H 1 41 ILE H 4.300 . 6.000 4.403 4.214 4.498 . 0 0 "[ . 1 . 2]" 2 1548 1 108 PHE HA 1 136 TRP H 2.700 . 3.600 2.725 2.564 2.974 . 0 0 "[ . 1 . 2]" 2 1549 1 125 PHE QD 1 126 ASP H 3.600 . 5.200 3.461 2.451 3.872 . 0 0 "[ . 1 . 2]" 2 1550 1 126 ASP H 1 131 THR H 3.600 . 5.200 3.504 3.128 3.824 . 0 0 "[ . 1 . 2]" 2 1551 1 126 ASP H 1 133 TYR QD 4.700 . 6.000 4.193 3.223 5.276 . 0 0 "[ . 1 . 2]" 2 1552 1 126 ASP H 1 133 TYR QE 4.600 . 6.000 4.542 3.205 5.926 . 0 0 "[ . 1 . 2]" 2 1553 1 109 VAL H 1 136 TRP H 3.700 . 5.400 3.481 3.000 3.924 . 0 0 "[ . 1 . 2]" 2 1554 1 58 ALA H 1 72 LYS HA 2.700 . 3.600 2.455 1.831 3.044 . 0 0 "[ . 1 . 2]" 2 1555 1 126 ASP H 1 126 ASP QB 2.900 . 3.900 2.387 2.220 2.555 . 0 0 "[ . 1 . 2]" 2 1556 1 136 TRP H 1 136 TRP HB2 3.200 . 4.500 2.770 2.548 3.240 . 0 0 "[ . 1 . 2]" 2 1557 1 80 GLU H 1 80 GLU HA 2.600 . 3.400 2.897 2.852 2.941 . 0 0 "[ . 1 . 2]" 2 1558 1 80 GLU H 1 84 LEU HA 3.500 . 5.000 3.602 3.099 3.893 . 0 0 "[ . 1 . 2]" 2 1559 1 79 TYR HA 1 80 GLU H 2.300 . 3.000 2.158 2.039 2.281 . 0 0 "[ . 1 . 2]" 2 1560 1 135 SER HB3 1 136 TRP H 3.900 . 5.800 3.940 2.486 4.441 . 0 0 "[ . 1 . 2]" 2 1561 1 136 TRP H 1 136 TRP HB3 3.100 . 4.300 2.726 2.543 2.915 . 0 0 "[ . 1 . 2]" 2 1562 1 67 THR HA 1 68 LEU H 2.600 . 3.500 2.176 2.120 2.235 . 0 0 "[ . 1 . 2]" 2 1563 1 80 GLU H 1 83 VAL H 2.700 . 3.600 3.268 2.906 3.606 0.006 19 0 "[ . 1 . 2]" 2 1564 1 80 GLU H 1 81 ASP H 3.700 . 5.400 4.049 3.798 4.283 . 0 0 "[ . 1 . 2]" 2 1565 1 61 ILE H 1 68 LEU H 3.300 . 4.700 3.282 2.853 3.725 . 0 0 "[ . 1 . 2]" 2 1566 1 80 GLU H 1 83 VAL QG 3.800 . 5.600 4.142 3.276 4.623 . 0 0 "[ . 1 . 2]" 2 1567 1 61 ILE HB 1 68 LEU H 3.400 . 4.800 3.442 3.126 3.795 . 0 0 "[ . 1 . 2]" 2 1568 1 68 LEU H 1 68 LEU HB3 2.800 . 3.800 2.440 2.322 2.563 . 0 0 "[ . 1 . 2]" 2 1569 1 68 LEU H 1 68 LEU HB2 3.300 . 4.700 2.756 2.402 3.064 . 0 0 "[ . 1 . 2]" 2 1570 1 59 VAL MG1 1 60 CYS H 3.400 . 4.800 3.015 2.848 4.139 . 0 0 "[ . 1 . 2]" 2 1571 1 79 TYR QB 1 80 GLU H 4.000 . 5.500 3.010 2.577 3.417 . 0 0 "[ . 1 . 2]" 2 1572 1 80 GLU H 1 80 GLU QG 3.800 . 5.600 3.961 2.831 4.381 . 0 0 "[ . 1 . 2]" 2 1573 1 80 GLU H 1 80 GLU HB3 3.000 . 4.100 3.091 2.658 3.855 . 0 0 "[ . 1 . 2]" 2 1574 1 80 GLU H 1 80 GLU HB2 3.000 . 4.100 3.107 2.603 3.467 . 0 0 "[ . 1 . 2]" 2 1575 1 122 PHE HB2 1 123 LEU H 3.400 . 4.900 3.257 2.876 3.597 . 0 0 "[ . 1 . 2]" 2 1576 1 123 LEU H 1 123 LEU HB2 2.600 . 3.400 2.373 2.231 2.477 . 0 0 "[ . 1 . 2]" 2 1577 1 123 LEU H 1 134 PHE HA 2.800 . 3.800 2.604 1.834 3.244 . 0 0 "[ . 1 . 2]" 2 1578 1 123 LEU H 1 123 LEU HA 2.900 . 4.000 2.877 2.837 2.907 . 0 0 "[ . 1 . 2]" 2 1579 1 122 PHE H 1 123 LEU H 4.400 . 6.000 4.436 4.288 4.536 . 0 0 "[ . 1 . 2]" 2 1580 1 119 GLN HA 1 136 TRP HE1 3.600 . 4.700 4.074 2.970 4.844 0.144 11 0 "[ . 1 . 2]" 2 1581 1 87 VAL HA 1 88 TYR H 2.500 . 3.300 2.105 2.018 2.205 . 0 0 "[ . 1 . 2]" 2 1582 1 77 LEU H 1 77 LEU HB2 3.100 . 4.300 2.770 2.158 3.193 . 0 0 "[ . 1 . 2]" 2 1583 1 19 LEU H 1 19 LEU HB2 2.400 . 3.100 2.663 2.354 2.919 . 0 0 "[ . 1 . 2]" 2 1584 1 12 THR MG 1 19 LEU H 3.800 . 5.600 3.900 3.331 4.519 . 0 0 "[ . 1 . 2]" 2 1585 1 11 VAL MG1 1 77 LEU H 4.600 . 6.000 4.648 4.192 4.936 . 0 0 "[ . 1 . 2]" 2 1586 1 19 LEU H 1 19 LEU HB3 2.700 . 3.600 2.406 2.175 2.586 . 0 0 "[ . 1 . 2]" 2 1587 1 19 LEU H 1 19 LEU HA 2.900 . 3.900 2.888 2.825 2.935 . 0 0 "[ . 1 . 2]" 2 1588 1 18 HIS HB3 1 19 LEU H 3.400 . 4.800 3.456 2.283 4.354 . 0 0 "[ . 1 . 2]" 2 1589 1 18 HIS HB2 1 19 LEU H 4.500 . 6.000 4.057 3.604 4.527 . 0 0 "[ . 1 . 2]" 2 1590 1 76 THR HB 1 77 LEU H 4.500 . 6.000 4.140 3.486 4.372 . 0 0 "[ . 1 . 2]" 2 1591 1 11 VAL HB 1 77 LEU H 4.600 . 6.000 4.281 3.671 5.030 . 0 0 "[ . 1 . 2]" 2 1592 1 12 THR HA 1 19 LEU H 4.900 . 6.000 4.712 4.304 5.292 . 0 0 "[ . 1 . 2]" 2 1593 1 77 LEU H 1 77 LEU HA 3.000 . 4.200 2.909 2.871 2.944 . 0 0 "[ . 1 . 2]" 2 1594 1 138 THR HA 1 139 SER H 2.300 . 2.900 2.267 2.180 2.335 . 0 0 "[ . 1 . 2]" 2 1595 1 139 SER H 1 139 SER HA 3.000 . 4.100 2.836 2.763 2.890 . 0 0 "[ . 1 . 2]" 2 1596 1 138 THR HB 1 139 SER H 3.900 . 5.800 3.915 3.782 4.171 . 0 0 "[ . 1 . 2]" 2 1597 1 139 SER H 1 139 SER HB3 2.600 . 3.500 3.104 2.442 3.645 0.145 12 0 "[ . 1 . 2]" 2 1598 1 139 SER H 1 140 LEU QB 4.800 . 6.000 4.529 3.982 4.826 . 0 0 "[ . 1 . 2]" 2 1599 1 69 ASN HB2 1 70 ALA H 4.900 . 6.000 4.380 4.177 4.486 . 0 0 "[ . 1 . 2]" 2 1600 1 110 CYS HB2 1 111 LYS H 4.600 . 6.000 3.636 2.794 4.396 . 0 0 "[ . 1 . 2]" 2 1601 1 111 LYS H 1 111 LYS QB 2.800 . 3.800 2.567 2.171 2.787 . 0 0 "[ . 1 . 2]" 2 1602 1 111 LYS H 1 111 LYS QD 4.300 . 6.000 4.695 4.246 5.196 . 0 0 "[ . 1 . 2]" 2 1603 1 111 LYS H 1 111 LYS HA 2.500 . 3.300 2.901 2.780 2.956 . 0 0 "[ . 1 . 2]" 2 1604 1 69 ASN HA 1 70 ALA H 2.700 . 3.600 2.118 2.054 2.165 . 0 0 "[ . 1 . 2]" 2 1605 1 70 ALA H 1 71 GLY H 2.900 . 3.900 2.295 2.085 2.795 . 0 0 "[ . 1 . 2]" 2 1606 1 111 LYS H 1 112 SER H 3.600 . 5.200 4.089 3.551 4.517 . 0 0 "[ . 1 . 2]" 2 1607 1 111 LYS H 1 138 THR H 3.000 . 4.100 3.411 2.811 4.117 0.017 20 0 "[ . 1 . 2]" 2 1608 1 111 LYS H 1 139 SER HB3 4.900 . 6.000 4.847 2.922 5.684 . 0 0 "[ . 1 . 2]" 2 1609 1 123 LEU QD 1 133 TYR H 5.100 . 6.000 4.609 4.101 5.433 . 0 0 "[ . 1 . 2]" 2 1610 1 125 PHE HA 1 133 TYR H 3.800 . 5.600 3.225 2.886 3.684 . 0 0 "[ . 1 . 2]" 2 1611 1 133 TYR H 1 134 PHE H 4.700 . 6.000 4.224 4.085 4.363 . 0 0 "[ . 1 . 2]" 2 1612 1 88 TYR H 1 88 TYR QD 4.100 . 6.000 3.203 2.272 3.933 . 0 0 "[ . 1 . 2]" 2 1613 1 130 CYS H 1 130 CYS HA 2.400 . 3.100 2.236 2.171 2.279 . 0 0 "[ . 1 . 2]" 2 1614 1 11 VAL H 1 12 THR H 4.600 . 6.000 4.267 4.129 4.425 . 0 0 "[ . 1 . 2]" 2 1615 1 12 THR H 1 13 ASN H 4.000 . 6.000 4.424 4.250 4.541 . 0 0 "[ . 1 . 2]" 2 1616 1 31 TYR H 1 43 LEU H 3.400 . 4.900 3.183 2.693 4.174 . 0 0 "[ . 1 . 2]" 2 1617 1 31 TYR H 1 32 THR H 4.400 . 5.700 4.346 4.175 4.486 . 0 0 "[ . 1 . 2]" 2 1618 1 35 ASP H 1 41 ILE H 4.500 . 6.000 3.443 3.049 3.863 . 0 0 "[ . 1 . 2]" 2 1619 1 33 ILE H 1 42 GLU H 4.500 . 6.000 4.047 3.763 4.161 . 0 0 "[ . 1 . 2]" 2 1620 1 31 TYR H 1 44 ASN H 4.800 . 6.000 4.510 4.162 4.925 . 0 0 "[ . 1 . 2]" 2 1621 1 44 ASN HB2 1 50 LYS H 4.700 . 6.000 3.935 2.264 4.942 . 0 0 "[ . 1 . 2]" 2 1622 1 51 SER H 1 52 SER H 4.000 . 6.000 3.401 1.974 4.496 . 0 0 "[ . 1 . 2]" 2 1623 1 54 ALA H 1 57 ALA MB 4.000 . 6.000 3.230 2.813 4.998 . 0 0 "[ . 1 . 2]" 2 1624 1 41 ILE MG 1 61 ILE H 5.000 . 6.000 5.006 4.209 5.568 . 0 0 "[ . 1 . 2]" 2 1625 1 59 VAL MG1 1 61 ILE H 4.100 . 6.000 3.943 3.417 5.360 . 0 0 "[ . 1 . 2]" 2 1626 1 61 ILE H 1 61 ILE MD 4.100 . 6.000 3.277 3.063 3.478 . 0 0 "[ . 1 . 2]" 2 1627 1 62 THR HA 1 68 LEU H 4.000 . 6.000 3.002 2.598 3.503 . 0 0 "[ . 1 . 2]" 2 1628 1 69 ASN HB3 1 70 ALA H 4.200 . 6.000 4.152 3.620 4.428 . 0 0 "[ . 1 . 2]" 2 1629 1 73 LEU H 1 74 SER H 4.200 . 6.000 4.265 3.959 4.432 . 0 0 "[ . 1 . 2]" 2 1630 1 78 THR H 1 85 LYS H 2.800 . 3.800 3.312 3.002 3.463 . 0 0 "[ . 1 . 2]" 2 1631 1 77 LEU H 1 78 THR H 4.500 . 6.000 4.350 4.180 4.463 . 0 0 "[ . 1 . 2]" 2 1632 1 79 TYR H 1 84 LEU MD1 4.300 . 6.000 4.166 3.587 4.584 . 0 0 "[ . 1 . 2]" 2 1633 1 84 LEU H 1 108 PHE QD 5.100 . 6.000 4.921 4.488 5.387 . 0 0 "[ . 1 . 2]" 2 1634 1 84 LEU H 1 85 LYS H 4.500 . 6.000 4.454 4.246 4.563 . 0 0 "[ . 1 . 2]" 2 1635 1 84 LEU H 1 84 LEU MD2 4.500 . 6.000 4.221 4.175 4.307 . 0 0 "[ . 1 . 2]" 2 1636 1 85 LYS H 1 86 LEU H 4.600 . 6.000 4.362 4.292 4.446 . 0 0 "[ . 1 . 2]" 2 1637 1 85 LYS H 1 85 LYS QB 2.500 . 3.300 2.617 2.426 2.754 . 0 0 "[ . 1 . 2]" 2 1638 1 84 LEU MD2 1 85 LYS H 4.300 . 6.000 4.539 4.340 4.870 . 0 0 "[ . 1 . 2]" 2 1639 1 87 VAL H 1 88 TYR H 4.600 . 6.000 4.231 3.804 4.387 . 0 0 "[ . 1 . 2]" 2 1640 1 105 TYR H 1 105 TYR HB3 2.700 . 3.600 3.516 2.535 3.646 0.046 12 0 "[ . 1 . 2]" 2 1641 1 105 TYR H 1 105 TYR QD 3.900 . 5.800 2.709 2.137 4.324 . 0 0 "[ . 1 . 2]" 2 1642 1 87 VAL MG2 1 89 GLU H 5.000 . 6.000 4.385 3.818 4.930 . 0 0 "[ . 1 . 2]" 2 1643 1 89 GLU H 1 89 GLU HG2 4.100 . 6.000 2.732 1.798 4.009 0.202 19 0 "[ . 1 . 2]" 2 1644 1 90 ASP HB3 1 91 GLY H 4.200 . 6.000 4.109 2.127 4.481 . 0 0 "[ . 1 . 2]" 2 1645 1 69 ASN H 1 92 ASP H 4.400 . 6.000 3.395 2.819 4.097 . 0 0 "[ . 1 . 2]" 2 1646 1 92 ASP H 1 92 ASP QB 3.300 . 4.600 2.474 2.216 3.038 . 0 0 "[ . 1 . 2]" 2 1647 1 96 THR H 1 97 ASP HA 4.900 . 6.000 4.502 3.808 5.128 . 0 0 "[ . 1 . 2]" 2 1648 1 99 LYS H 1 100 MET H 2.800 . 3.400 2.440 2.053 2.763 . 0 0 "[ . 1 . 2]" 2 1649 1 100 MET H 1 101 LYS H 2.800 . 3.800 3.907 3.349 4.016 0.216 19 0 "[ . 1 . 2]" 2 1650 1 100 MET H 1 100 MET HB3 3.300 . 4.600 3.429 2.730 3.786 . 0 0 "[ . 1 . 2]" 2 1651 1 113 ASP H 1 114 ALA MB 3.900 . 5.800 4.126 3.149 4.504 . 0 0 "[ . 1 . 2]" 2 1652 1 111 LYS QG 1 113 ASP H 2.700 . 3.600 2.359 1.737 3.672 0.072 15 0 "[ . 1 . 2]" 2 1653 1 20 PHE H 1 21 ASP H 4.500 . 6.000 4.208 4.015 4.461 . 0 0 "[ . 1 . 2]" 2 1654 1 116 ASP H 1 117 ASP H 2.800 . 3.500 2.434 1.780 3.649 0.149 1 0 "[ . 1 . 2]" 2 1655 1 126 ASP H 1 132 SER HA 3.600 . 5.200 2.915 2.466 3.445 . 0 0 "[ . 1 . 2]" 2 1656 1 125 PHE HB2 1 126 ASP H 4.700 . 6.000 4.344 4.174 4.512 . 0 0 "[ . 1 . 2]" 2 1657 1 126 ASP H 1 130 CYS HA 4.900 . 6.000 3.956 3.555 4.389 . 0 0 "[ . 1 . 2]" 2 1658 1 125 PHE HB3 1 126 ASP H 4.700 . 6.000 4.268 3.968 4.424 . 0 0 "[ . 1 . 2]" 2 1659 1 126 ASP HA 1 127 GLU H 2.400 . 3.100 2.120 1.951 2.248 . 0 0 "[ . 1 . 2]" 2 1660 1 130 CYS H 1 130 CYS HB2 4.000 . 6.000 3.469 3.252 3.742 . 0 0 "[ . 1 . 2]" 2 1661 1 127 GLU QB 1 130 CYS H 3.800 . 5.500 3.898 3.490 4.180 . 0 0 "[ . 1 . 2]" 2 1662 1 125 PHE QD 1 133 TYR H 5.100 . 6.000 4.799 3.892 5.627 . 0 0 "[ . 1 . 2]" 2 1663 1 133 TYR H 1 133 TYR QD 2.900 . 4.000 2.867 2.307 3.237 . 0 0 "[ . 1 . 2]" 2 1664 1 133 TYR H 1 133 TYR HB3 4.200 . 6.000 3.728 3.640 3.809 . 0 0 "[ . 1 . 2]" 2 1665 1 22 LEU MD1 1 86 LEU MD2 5.000 . 6.100 4.020 2.147 5.734 . 0 0 "[ . 1 . 2]" 2 1666 1 136 TRP H 1 137 HIS H 4.500 . 5.500 4.170 3.930 4.419 . 0 0 "[ . 1 . 2]" 2 1667 1 135 SER HB2 1 136 TRP H 3.900 . 5.800 4.241 3.602 4.461 . 0 0 "[ . 1 . 2]" 2 1668 1 108 PHE QE 1 136 TRP HE1 5.000 . 6.000 5.393 4.402 6.170 0.170 9 0 "[ . 1 . 2]" 2 1669 1 119 GLN H 1 136 TRP HE1 4.500 . 6.000 3.871 2.752 4.573 . 0 0 "[ . 1 . 2]" 2 1670 1 138 THR H 1 139 SER H 4.800 . 6.000 4.359 4.170 4.452 . 0 0 "[ . 1 . 2]" 2 1671 1 141 ALA H 1 142 CYS H 2.800 . 3.500 2.685 2.377 3.331 . 0 0 "[ . 1 . 2]" 2 1672 1 141 ALA H 1 142 CYS HB3 5.200 . 6.000 5.622 4.621 6.640 0.640 9 1 "[ . +1 . 2]" 2 1673 1 110 CYS HA 1 141 ALA H 3.700 . 5.400 3.802 3.205 4.305 . 0 0 "[ . 1 . 2]" 2 1674 1 20 PHE QE 1 143 GLU H 5.000 . 6.000 3.397 2.448 4.475 . 0 0 "[ . 1 . 2]" 2 1675 1 9 CYS H 1 9 CYS HB3 3.700 . 6.000 3.561 2.793 4.015 . 0 0 "[ . 1 . 2]" 2 1676 1 9 CYS HA 1 77 LEU H 4.500 . 6.000 3.797 2.759 5.341 . 0 0 "[ . 1 . 2]" 2 1677 1 2 LYS QB 1 3 SER H 4.200 . 6.000 3.450 1.997 4.027 0.003 6 0 "[ . 1 . 2]" 2 1678 1 5 VAL H 1 6 GLN H 3.200 . 4.500 4.027 3.110 4.526 0.026 20 0 "[ . 1 . 2]" 2 1679 1 94 CYS H 1 94 CYS HB2 3.000 . 4.100 2.719 2.383 3.709 . 0 0 "[ . 1 . 2]" 2 1680 1 7 ASN H 1 7 ASN HD22 5.000 . 6.000 5.556 4.201 6.331 0.331 19 0 "[ . 1 . 2]" 2 1681 1 7 ASN H 1 7 ASN HA 2.900 . 4.000 2.666 2.210 2.940 . 0 0 "[ . 1 . 2]" 2 1682 1 8 ASP H 1 75 LYS QD 4.800 . 6.000 3.159 2.118 5.644 . 0 0 "[ . 1 . 2]" 2 1683 1 11 VAL H 1 19 LEU HA 4.500 . 5.500 4.798 4.414 5.213 . 0 0 "[ . 1 . 2]" 2 1684 1 11 VAL H 1 20 PHE HB2 3.600 . 5.200 3.088 2.666 3.398 . 0 0 "[ . 1 . 2]" 2 1685 1 13 ASN H 1 20 PHE QD 3.800 . 5.600 4.249 3.192 4.713 . 0 0 "[ . 1 . 2]" 2 1686 1 13 ASN H 1 13 ASN QD 5.000 . 6.000 4.575 3.954 4.759 . 0 0 "[ . 1 . 2]" 2 1687 1 13 ASN H 1 13 ASN HA 2.600 . 3.500 2.928 2.890 2.948 . 0 0 "[ . 1 . 2]" 2 1688 1 13 ASN H 1 18 HIS HA 4.200 . 6.000 5.223 4.790 5.598 . 0 0 "[ . 1 . 2]" 2 1689 1 13 ASN QD 1 15 ALA H 4.600 . 6.000 3.652 3.309 4.268 . 0 0 "[ . 1 . 2]" 2 1690 1 13 ASN HB3 1 16 THR H 3.700 . 5.400 3.352 2.961 4.526 . 0 0 "[ . 1 . 2]" 2 1691 1 12 THR MG 1 16 THR H 5.100 . 6.000 5.692 5.140 6.043 0.043 5 0 "[ . 1 . 2]" 2 1692 1 13 ASN H 1 17 GLY H 4.000 . 6.000 4.425 3.807 4.906 . 0 0 "[ . 1 . 2]" 2 1693 1 13 ASN H 1 18 HIS H 3.600 . 5.300 3.942 3.223 4.473 . 0 0 "[ . 1 . 2]" 2 1694 1 16 THR HB 1 19 LEU H 5.100 . 6.000 5.995 5.638 6.089 0.089 2 0 "[ . 1 . 2]" 2 1695 1 20 PHE H 1 20 PHE QE 5.500 . 6.000 4.840 4.460 5.030 . 0 0 "[ . 1 . 2]" 2 1696 1 20 PHE H 1 84 LEU MD2 6.000 . 6.000 5.269 4.934 5.784 . 0 0 "[ . 1 . 2]" 2 1697 1 20 PHE H 1 84 LEU MD1 6.000 . 6.000 4.749 4.439 5.171 . 0 0 "[ . 1 . 2]" 2 1698 1 21 ASP H 1 22 LEU HG 3.800 . 5.600 4.634 4.301 5.103 . 0 0 "[ . 1 . 2]" 2 1699 1 21 ASP H 1 84 LEU MD2 5.600 . 6.000 4.427 3.633 5.079 . 0 0 "[ . 1 . 2]" 2 1700 1 22 LEU H 1 24 SER H 4.600 . 6.000 5.425 4.225 6.049 0.049 19 0 "[ . 1 . 2]" 2 1701 1 21 ASP HB3 1 22 LEU H 5.200 . 6.000 4.070 2.747 4.420 . 0 0 "[ . 1 . 2]" 2 1702 1 21 ASP HB2 1 23 THR H 4.900 . 6.000 4.115 2.586 5.358 . 0 0 "[ . 1 . 2]" 2 1703 1 3 SER QB 1 25 LEU H 4.200 . 6.000 4.774 4.073 5.805 . 0 0 "[ . 1 . 2]" 2 1704 1 26 LYS H 1 27 ARG H 4.600 . 6.000 4.480 4.224 4.651 . 0 0 "[ . 1 . 2]" 2 1705 1 28 GLU H 1 28 GLU QB 2.400 . 3.100 2.422 2.159 2.735 . 0 0 "[ . 1 . 2]" 2 1706 1 28 GLU H 1 28 GLU HA 2.600 . 3.400 2.837 2.693 2.909 . 0 0 "[ . 1 . 2]" 2 1707 1 28 GLU H 1 30 GLY H 4.700 . 6.000 4.628 4.050 5.245 . 0 0 "[ . 1 . 2]" 2 1708 1 27 ARG HG2 1 28 GLU H 4.800 . 6.000 4.444 4.076 4.775 . 0 0 "[ . 1 . 2]" 2 1709 1 27 ARG HD3 1 28 GLU H 5.700 . 6.000 5.477 4.662 5.988 . 0 0 "[ . 1 . 2]" 2 1710 1 27 ARG HD3 1 29 SER H 5.400 . 6.000 5.149 4.176 6.096 0.096 20 0 "[ . 1 . 2]" 2 1711 1 31 TYR H 1 45 VAL H 5.300 . 6.000 4.622 3.996 5.311 . 0 0 "[ . 1 . 2]" 2 1712 1 31 TYR H 1 44 ASN HA 3.300 . 4.700 2.843 2.543 3.258 . 0 0 "[ . 1 . 2]" 2 1713 1 33 ILE H 1 34 THR H 4.800 . 6.000 4.274 4.219 4.360 . 0 0 "[ . 1 . 2]" 2 1714 1 34 THR H 1 41 ILE H 5.200 . 6.000 4.501 3.900 5.244 . 0 0 "[ . 1 . 2]" 2 1715 1 34 THR H 1 41 ILE HB 5.600 . 6.000 4.700 3.895 5.335 . 0 0 "[ . 1 . 2]" 2 1716 1 34 THR H 1 41 ILE MD 5.100 . 6.000 4.645 3.780 5.427 . 0 0 "[ . 1 . 2]" 2 1717 1 33 ILE MD 1 34 THR H 3.900 . 5.800 4.256 3.917 4.597 . 0 0 "[ . 1 . 2]" 2 1718 1 35 ASP H 1 39 ARG H 3.800 . 6.000 4.426 3.514 5.469 . 0 0 "[ . 1 . 2]" 2 1719 1 33 ILE MD 1 35 ASP H 5.200 . 6.000 5.198 5.046 5.391 . 0 0 "[ . 1 . 2]" 2 1720 1 36 SER H 1 41 ILE MD 5.500 . 6.000 3.828 3.261 4.617 . 0 0 "[ . 1 . 2]" 2 1721 1 35 ASP QB 1 37 HIS H 4.200 . 6.000 3.548 2.576 4.184 . 0 0 "[ . 1 . 2]" 2 1722 1 38 ASN H 1 38 ASN HD22 5.400 . 6.000 5.300 3.477 6.074 0.074 6 0 "[ . 1 . 2]" 2 1723 1 38 ASN H 1 38 ASN HD21 5.000 . 6.000 4.264 2.279 5.094 . 0 0 "[ . 1 . 2]" 2 1724 1 41 ILE H 1 42 GLU H 4.600 . 6.000 4.082 3.765 4.385 . 0 0 "[ . 1 . 2]" 2 1725 1 41 ILE QG 1 42 GLU H 5.000 . 6.000 4.202 4.040 4.414 . 0 0 "[ . 1 . 2]" 2 1726 1 43 LEU H 1 44 ASN H 4.900 . 6.000 4.298 4.032 4.527 . 0 0 "[ . 1 . 2]" 2 1727 1 31 TYR QD 1 43 LEU H 4.000 . 6.000 4.768 3.451 5.879 . 0 0 "[ . 1 . 2]" 2 1728 1 44 ASN H 1 44 ASN HB2 3.700 . 5.500 3.068 2.683 3.421 . 0 0 "[ . 1 . 2]" 2 1729 1 44 ASN H 1 58 ALA MB 3.700 . 5.400 3.336 3.036 3.916 . 0 0 "[ . 1 . 2]" 2 1730 1 46 CYS HB2 1 47 ALA H 3.900 . 5.800 3.949 3.058 4.637 . 0 0 "[ . 1 . 2]" 2 1731 1 47 ALA H 1 58 ALA MB 5.300 . 6.000 4.498 3.447 5.417 . 0 0 "[ . 1 . 2]" 2 1732 1 48 GLU H 1 49 ALA H 4.500 . 6.000 4.528 3.926 4.673 . 0 0 "[ . 1 . 2]" 2 1733 1 49 ALA H 1 58 ALA H 5.400 . 6.000 4.787 4.473 5.105 . 0 0 "[ . 1 . 2]" 2 1734 1 44 ASN HD21 1 50 LYS H 4.900 . 6.000 3.662 2.334 6.038 0.038 19 0 "[ . 1 . 2]" 2 1735 1 49 ALA MB 1 51 SER H 3.900 . 5.800 3.110 2.318 4.201 . 0 0 "[ . 1 . 2]" 2 1736 1 52 SER H 1 53 CYS H 3.300 . 4.300 2.545 1.837 3.894 . 0 0 "[ . 1 . 2]" 2 1737 1 53 CYS H 1 54 ALA H 4.000 . 6.000 3.974 2.345 4.612 . 0 0 "[ . 1 . 2]" 2 1738 1 52 SER HB2 1 53 CYS H 4.200 . 6.000 3.388 2.344 4.477 . 0 0 "[ . 1 . 2]" 2 1739 1 58 ALA HA 1 60 CYS H 3.800 . 5.600 5.594 5.272 5.652 0.052 14 0 "[ . 1 . 2]" 2 1740 1 61 ILE MG 1 63 ASP H 4.100 . 6.000 4.113 3.692 4.964 . 0 0 "[ . 1 . 2]" 2 1741 1 67 THR H 1 68 LEU H 4.200 . 6.000 4.229 3.945 4.490 . 0 0 "[ . 1 . 2]" 2 1742 1 61 ILE MG 1 68 LEU H 4.600 . 6.000 4.306 3.968 4.713 . 0 0 "[ . 1 . 2]" 2 1743 1 68 LEU HB3 1 69 ASN H 5.200 . 6.000 4.319 3.982 4.453 . 0 0 "[ . 1 . 2]" 2 1744 1 68 LEU HG 1 69 ASN H 3.700 . 5.400 3.849 2.685 5.377 . 0 0 "[ . 1 . 2]" 2 1745 1 61 ILE H 1 70 ALA H 4.400 . 6.000 3.578 3.100 4.133 . 0 0 "[ . 1 . 2]" 2 1746 1 71 GLY H 1 72 LYS H 4.400 . 6.000 4.032 3.666 4.310 . 0 0 "[ . 1 . 2]" 2 1747 1 70 ALA HA 1 71 GLY H 3.200 . 4.500 3.326 2.871 3.536 . 0 0 "[ . 1 . 2]" 2 1748 1 70 ALA MB 1 71 GLY H 4.500 . 6.000 3.021 2.339 3.569 . 0 0 "[ . 1 . 2]" 2 1749 1 72 LYS H 1 73 LEU H 5.000 . 6.000 4.520 4.384 4.585 . 0 0 "[ . 1 . 2]" 2 1750 1 73 LEU HB3 1 74 SER H 4.500 . 6.000 4.356 4.005 4.495 . 0 0 "[ . 1 . 2]" 2 1751 1 75 LYS HA 1 76 THR H 3.800 . 5.300 2.443 2.154 3.277 . 0 0 "[ . 1 . 2]" 2 1752 1 9 CYS H 1 77 LEU H 5.000 . 6.000 5.142 4.037 6.012 0.012 2 0 "[ . 1 . 2]" 2 1753 1 78 THR H 1 79 TYR H 4.500 . 6.000 4.271 4.024 4.430 . 0 0 "[ . 1 . 2]" 2 1754 1 82 GLN H 1 83 VAL HB 5.100 . 6.000 5.176 4.672 5.811 . 0 0 "[ . 1 . 2]" 2 1755 1 84 LEU H 1 108 PHE HB2 4.400 . 6.000 3.539 3.154 3.996 . 0 0 "[ . 1 . 2]" 2 1756 1 85 LYS H 1 108 PHE H 5.000 . 6.000 4.699 4.501 4.886 . 0 0 "[ . 1 . 2]" 2 1757 1 20 PHE QE 1 85 LYS H 4.500 . 6.000 6.118 5.962 6.393 0.393 20 0 "[ . 1 . 2]" 2 1758 1 79 TYR HA 1 85 LYS H 4.000 . 6.000 2.633 2.150 3.240 . 0 0 "[ . 1 . 2]" 2 1759 1 86 LEU H 1 87 VAL H 4.500 . 6.000 4.159 3.954 4.293 . 0 0 "[ . 1 . 2]" 2 1760 1 86 LEU H 1 107 SER HA 3.900 . 5.800 3.851 3.406 4.177 . 0 0 "[ . 1 . 2]" 2 1761 1 86 LEU H 1 106 PHE HB3 3.700 . 5.400 3.765 3.154 4.428 . 0 0 "[ . 1 . 2]" 2 1762 1 88 TYR H 1 106 PHE H 5.000 . 6.000 4.336 3.857 4.712 . 0 0 "[ . 1 . 2]" 2 1763 1 88 TYR HB3 1 89 GLU H 3.900 . 5.800 3.475 3.076 3.841 . 0 0 "[ . 1 . 2]" 2 1764 1 72 LYS H 1 89 GLU H 3.500 . 5.100 3.637 2.972 4.198 . 0 0 "[ . 1 . 2]" 2 1765 1 97 ASP HA 1 100 MET H 4.500 . 6.000 3.582 2.452 5.262 . 0 0 "[ . 1 . 2]" 2 1766 1 100 MET HG3 1 101 LYS H 4.500 . 6.000 4.080 2.912 4.735 . 0 0 "[ . 1 . 2]" 2 1767 1 100 MET HG2 1 101 LYS H 4.500 . 6.000 4.677 3.817 5.392 . 0 0 "[ . 1 . 2]" 2 1768 1 44 ASN HB2 1 45 VAL H 4.500 . 6.000 4.188 4.052 4.340 . 0 0 "[ . 1 . 2]" 2 1769 1 103 LYS H 1 103 LYS HA 3.000 . 6.000 2.870 2.735 2.949 . 0 0 "[ . 1 . 2]" 2 1770 1 104 SER H 1 105 TYR H 4.700 . 6.000 4.359 4.174 4.530 . 0 0 "[ . 1 . 2]" 2 1771 1 106 PHE H 1 108 PHE QE 5.100 . 6.000 4.916 4.526 5.260 . 0 0 "[ . 1 . 2]" 2 1772 1 85 LYS HA 1 106 PHE H 4.800 . 6.000 4.678 4.273 5.348 . 0 0 "[ . 1 . 2]" 2 1773 1 107 SER H 1 134 PHE H 4.400 . 6.000 3.674 3.275 3.935 . 0 0 "[ . 1 . 2]" 2 1774 1 106 PHE H 1 107 SER H 4.600 . 6.000 4.193 4.073 4.301 . 0 0 "[ . 1 . 2]" 2 1775 1 86 LEU H 1 108 PHE H 5.300 . 6.000 4.546 3.832 5.176 . 0 0 "[ . 1 . 2]" 2 1776 1 108 PHE H 1 108 PHE QE 5.000 . 6.000 4.563 4.338 4.848 . 0 0 "[ . 1 . 2]" 2 1777 1 108 PHE H 1 109 VAL H 4.500 . 6.000 4.206 4.079 4.335 . 0 0 "[ . 1 . 2]" 2 1778 1 108 PHE QD 1 109 VAL H 4.600 . 6.000 4.295 4.069 4.480 . 0 0 "[ . 1 . 2]" 2 1779 1 108 PHE HB3 1 109 VAL H 4.000 . 6.000 3.515 3.253 3.648 . 0 0 "[ . 1 . 2]" 2 1780 1 110 CYS H 1 111 LYS H 4.400 . 6.000 4.427 4.078 4.604 . 0 0 "[ . 1 . 2]" 2 1781 1 110 CYS H 1 142 CYS HA 4.500 . 5.600 5.374 3.272 5.725 0.125 7 0 "[ . 1 . 2]" 2 1782 1 111 LYS H 1 142 CYS H 5.000 . 6.000 5.329 3.746 6.032 0.032 3 0 "[ . 1 . 2]" 2 1783 1 111 LYS H 1 138 THR HA 4.400 . 6.000 4.005 3.277 4.846 . 0 0 "[ . 1 . 2]" 2 1784 1 112 SER H 1 114 ALA H 5.200 . 6.000 4.381 4.014 5.164 . 0 0 "[ . 1 . 2]" 2 1785 1 117 ASP HB3 1 119 GLN H 3.800 . 5.600 5.167 3.841 6.583 0.983 9 2 "[ . +- . 2]" 2 1786 1 119 GLN H 1 119 GLN QG 2.700 . 3.600 2.227 1.892 2.727 . 0 0 "[ . 1 . 2]" 2 1787 1 119 GLN H 1 119 GLN HB3 3.300 . 4.700 3.078 2.699 3.433 . 0 0 "[ . 1 . 2]" 2 1788 1 119 GLN H 1 119 GLN HB2 3.300 . 4.700 3.760 3.586 4.019 . 0 0 "[ . 1 . 2]" 2 1789 1 121 VAL H 1 121 VAL HA 2.800 . 3.800 2.909 2.874 2.946 . 0 0 "[ . 1 . 2]" 2 1790 1 125 PHE H 1 126 ASP H 5.200 . 6.000 4.218 4.015 4.483 . 0 0 "[ . 1 . 2]" 2 1791 1 147 PRO HD2 1 148 ARG H 3.400 . 4.900 2.890 2.166 4.969 0.069 3 0 "[ . 1 . 2]" 2 1792 1 148 ARG H 1 148 ARG QD 4.600 . 6.000 3.981 2.355 4.658 . 0 0 "[ . 1 . 2]" 2 1793 1 145 GLU HB3 1 146 VAL H 3.500 . 5.000 3.865 2.579 4.405 . 0 0 "[ . 1 . 2]" 2 1794 1 16 THR HA 1 18 HIS H 4.500 . 6.000 4.271 3.913 4.664 . 0 0 "[ . 1 . 2]" 2 1795 1 31 TYR HA 1 33 ILE H 6.000 . 6.000 5.985 5.721 6.074 0.074 6 0 "[ . 1 . 2]" 2 1796 1 38 ASN H 1 39 ARG H 2.800 . 3.400 2.323 1.851 3.428 0.028 17 0 "[ . 1 . 2]" 2 1797 1 146 VAL H 1 147 PRO HA 2.900 . 6.000 5.289 4.579 5.669 . 0 0 "[ . 1 . 2]" 2 1798 1 45 VAL H 1 45 VAL HA 2.800 . 3.800 2.862 2.690 2.928 . 0 0 "[ . 1 . 2]" 2 1799 1 48 GLU HB3 1 56 GLY H 4.800 . 6.000 5.270 4.431 5.966 . 0 0 "[ . 1 . 2]" 2 1800 1 58 ALA H 1 73 LEU H 4.500 . 6.000 3.538 3.051 4.107 . 0 0 "[ . 1 . 2]" 2 1801 1 59 VAL H 1 73 LEU H 6.000 . 6.000 5.284 4.865 5.610 . 0 0 "[ . 1 . 2]" 2 1802 1 62 THR H 1 63 ASP H 4.800 . 6.000 4.176 3.974 4.387 . 0 0 "[ . 1 . 2]" 2 1803 1 60 CYS HA 1 68 LEU H 4.400 . 6.000 4.393 3.486 4.941 . 0 0 "[ . 1 . 2]" 2 1804 1 68 LEU H 1 69 ASN H 5.400 . 6.000 4.287 3.835 4.568 . 0 0 "[ . 1 . 2]" 2 1805 1 69 ASN H 1 92 ASP H 5.100 . 6.000 4.097 3.395 5.413 . 0 0 "[ . 1 . 2]" 2 1806 1 59 VAL H 1 70 ALA H 4.400 . 6.000 4.375 4.030 4.778 . 0 0 "[ . 1 . 2]" 2 1807 1 59 VAL H 1 71 GLY H 4.400 . 6.000 3.380 2.975 4.008 . 0 0 "[ . 1 . 2]" 2 1808 1 69 ASN HA 1 71 GLY H 4.800 . 6.000 3.432 3.219 3.758 . 0 0 "[ . 1 . 2]" 2 1809 1 71 GLY H 1 91 GLY HA2 3.800 . 6.000 4.781 2.731 6.643 0.643 7 1 "[ . + 1 . 2]" 2 1810 1 57 ALA HA 1 73 LEU H 4.000 . 5.700 2.910 2.303 3.331 . 0 0 "[ . 1 . 2]" 2 1811 1 72 LYS QG 1 74 SER H 3.400 . 4.900 4.210 3.247 4.785 . 0 0 "[ . 1 . 2]" 2 1812 1 84 LEU H 1 108 PHE QB 4.400 . 6.000 3.434 3.086 3.855 . 0 0 "[ . 1 . 2]" 2 1813 1 70 ALA HA 1 92 ASP H 3.900 . 5.800 3.876 3.177 5.496 . 0 0 "[ . 1 . 2]" 2 1814 1 99 LYS H 1 99 LYS QE 5.600 . 6.000 4.647 3.379 5.910 . 0 0 "[ . 1 . 2]" 2 1815 1 100 MET H 1 100 MET HB2 3.200 . 4.500 3.581 2.559 3.936 . 0 0 "[ . 1 . 2]" 2 1816 1 104 SER HB2 1 105 TYR H 4.900 . 6.000 3.876 2.915 4.339 . 0 0 "[ . 1 . 2]" 2 1817 1 87 VAL HA 1 106 PHE H 4.100 . 6.000 3.106 2.541 3.501 . 0 0 "[ . 1 . 2]" 2 1818 1 107 SER H 1 136 TRP H 4.400 . 6.000 3.813 3.351 4.373 . 0 0 "[ . 1 . 2]" 2 1819 1 121 VAL H 1 136 TRP HA 4.100 . 6.000 2.757 2.378 3.259 . 0 0 "[ . 1 . 2]" 2 1820 1 121 VAL H 1 134 PHE HA 5.200 . 6.000 5.112 4.711 5.544 . 0 0 "[ . 1 . 2]" 2 1821 1 122 PHE HB3 1 123 LEU H 5.300 . 6.000 4.176 3.984 4.290 . 0 0 "[ . 1 . 2]" 2 1822 1 125 PHE H 1 133 TYR H 4.700 . 6.000 4.928 4.712 5.143 . 0 0 "[ . 1 . 2]" 2 1823 1 129 THR HA 1 130 CYS H 3.700 . 5.400 3.037 2.456 3.300 . 0 0 "[ . 1 . 2]" 2 1824 1 105 TYR HB2 1 133 TYR H 5.700 . 6.000 5.540 5.100 6.342 0.342 17 0 "[ . 1 . 2]" 2 1825 1 123 LEU H 1 133 TYR H 4.300 . 6.000 4.404 4.055 4.798 . 0 0 "[ . 1 . 2]" 2 1826 1 105 TYR H 1 134 PHE H 4.700 . 6.000 4.079 3.693 4.511 . 0 0 "[ . 1 . 2]" 2 1827 1 82 GLN HB2 1 82 GLN HE21 2.800 . 3.800 2.351 1.814 3.248 . 0 0 "[ . 1 . 2]" 2 1828 1 4 ASN HA 1 4 ASN HD21 4.600 . 6.000 4.229 3.026 4.576 . 0 0 "[ . 1 . 2]" 2 1829 1 13 ASN HB2 1 17 GLY H 5.500 . 6.000 5.212 4.320 5.733 . 0 0 "[ . 1 . 2]" 2 1830 1 4 ASN H 1 5 VAL HA 4.700 . 6.000 4.754 4.072 5.580 . 0 0 "[ . 1 . 2]" 2 1831 1 4 ASN H 1 4 ASN HD21 5.300 . 6.000 4.705 2.663 5.491 . 0 0 "[ . 1 . 2]" 2 1832 1 147 PRO HD3 1 148 ARG H 5.300 . 6.000 3.998 3.543 5.538 . 0 0 "[ . 1 . 2]" 2 1833 1 74 SER H 1 76 THR H 5.000 . 6.000 4.960 4.342 5.662 . 0 0 "[ . 1 . 2]" 2 1834 1 53 CYS H 1 54 ALA MB 4.400 . 6.000 5.382 4.646 5.890 . 0 0 "[ . 1 . 2]" 2 1835 1 80 GLU HB3 1 83 VAL H 5.000 . 6.000 4.969 4.461 5.577 . 0 0 "[ . 1 . 2]" 2 1836 1 122 PHE H 1 123 LEU QD 4.400 . 6.000 4.651 3.987 5.801 . 0 0 "[ . 1 . 2]" 2 1837 1 145 GLU H 1 145 GLU QG 3.500 . 5.000 3.726 2.546 4.378 . 0 0 "[ . 1 . 2]" 2 1838 1 73 LEU QD 1 88 TYR HH 3.800 . 4.800 3.677 2.769 4.820 0.020 3 0 "[ . 1 . 2]" 2 1839 1 46 CYS H 1 88 TYR HH 2.800 . 4.300 2.489 1.301 5.540 1.240 4 1 "[ +. 1 . 2]" 2 1840 1 45 VAL HA 1 88 TYR HH 3.000 . 4.500 2.880 1.398 5.474 0.974 16 1 "[ . 1 .+ 2]" 2 1841 1 31 TYR H 1 45 VAL MG1 3.400 . 6.000 3.527 2.352 4.942 . 0 0 "[ . 1 . 2]" 2 1842 1 46 CYS HA 1 88 TYR HH 3.400 . 6.000 3.134 1.725 5.541 . 0 0 "[ . 1 . 2]" 2 1843 1 6 GLN H 1 6 GLN QG 3.100 . 4.300 2.619 1.970 3.809 . 0 0 "[ . 1 . 2]" 2 1844 1 49 ALA H 1 49 ALA HA 2.800 . 3.500 2.867 2.762 2.921 . 0 0 "[ . 1 . 2]" 2 1845 1 125 PHE QE 1 130 CYS H 4.000 . 5.500 5.273 4.444 5.646 0.146 5 0 "[ . 1 . 2]" 2 1846 1 128 GLN HB3 1 130 CYS H 4.500 . 6.000 4.370 3.745 4.697 . 0 0 "[ . 1 . 2]" 2 1847 1 140 LEU HA 1 140 LEU QD 3.300 . 4.700 2.168 1.958 2.848 . 0 0 "[ . 1 . 2]" 2 1848 1 95 PRO HA 1 95 PRO HG2 4.100 . 6.000 3.913 3.783 4.020 . 0 0 "[ . 1 . 2]" 2 1849 1 13 ASN HB2 1 20 PHE QE 3.300 . 5.300 2.815 1.876 4.610 . 0 0 "[ . 1 . 2]" 2 1850 1 95 PRO HG2 1 96 THR H 4.100 . 6.000 3.689 2.677 4.665 . 0 0 "[ . 1 . 2]" 2 1851 1 95 PRO HA 1 97 ASP H 3.900 . 5.800 4.237 3.669 4.879 . 0 0 "[ . 1 . 2]" 2 1852 1 11 VAL MG1 1 12 THR HA 3.500 . 5.000 4.110 3.624 4.327 . 0 0 "[ . 1 . 2]" 2 1853 1 86 LEU MD1 1 86 LEU MD2 2.200 . 2.800 2.065 2.043 2.086 . 0 0 "[ . 1 . 2]" 2 1854 1 11 VAL H 1 84 LEU MD2 5.000 . 6.000 5.081 4.547 5.492 . 0 0 "[ . 1 . 2]" 2 1855 1 11 VAL MG2 1 13 ASN H 5.000 . 6.000 4.554 3.960 4.872 . 0 0 "[ . 1 . 2]" 2 1856 1 13 ASN QD 1 18 HIS H 5.300 . 6.000 4.764 3.430 5.379 . 0 0 "[ . 1 . 2]" 2 1857 1 89 GLU H 1 90 ASP HB3 4.800 . 6.000 4.940 4.324 6.720 0.720 19 1 "[ . 1 . +2]" 2 1858 1 89 GLU H 1 89 GLU HB2 3.000 . 4.200 3.561 2.475 3.921 . 0 0 "[ . 1 . 2]" 2 1859 1 128 GLN HA 1 128 GLN QG 2.800 . 3.800 2.682 2.365 3.021 . 0 0 "[ . 1 . 2]" 2 1860 1 128 GLN H 1 128 GLN HB2 2.800 . 3.500 2.530 2.303 2.769 . 0 0 "[ . 1 . 2]" 2 1861 1 52 SER HB3 1 67 THR MG 3.600 . 5.000 4.053 1.916 5.058 0.084 19 0 "[ . 1 . 2]" 2 1862 1 72 LYS HA 1 88 TYR HB3 4.400 . 6.000 4.933 4.384 5.835 . 0 0 "[ . 1 . 2]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 32 _Distance_constraint_stats_list.Viol_count 137 _Distance_constraint_stats_list.Viol_total 94.218 _Distance_constraint_stats_list.Viol_max 0.165 _Distance_constraint_stats_list.Viol_rms 0.0198 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0074 _Distance_constraint_stats_list.Viol_average_violations_only 0.0344 _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 11 VAL 0.072 0.031 4 0 "[ . 1 . 2]" 1 20 PHE 0.072 0.031 4 0 "[ . 1 . 2]" 1 31 TYR 0.489 0.164 20 0 "[ . 1 . 2]" 1 40 LYS 0.216 0.074 5 0 "[ . 1 . 2]" 1 42 GLU 0.158 0.078 19 0 "[ . 1 . 2]" 1 43 LEU 0.489 0.164 20 0 "[ . 1 . 2]" 1 44 ASN 0.357 0.098 10 0 "[ . 1 . 2]" 1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 ALA 0.665 0.098 10 0 "[ . 1 . 2]" 1 59 VAL 0.125 0.047 3 0 "[ . 1 . 2]" 1 60 CYS 0.158 0.078 19 0 "[ . 1 . 2]" 1 62 THR 0.216 0.074 5 0 "[ . 1 . 2]" 1 70 ALA 0.125 0.047 3 0 "[ . 1 . 2]" 1 71 GLY 0.308 0.073 3 0 "[ . 1 . 2]" 1 72 LYS 0.219 0.066 11 0 "[ . 1 . 2]" 1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 78 THR 0.834 0.165 8 0 "[ . 1 . 2]" 1 84 LEU 0.599 0.102 3 0 "[ . 1 . 2]" 1 85 LYS 0.834 0.165 8 0 "[ . 1 . 2]" 1 86 LEU 0.130 0.030 12 0 "[ . 1 . 2]" 1 88 TYR 0.286 0.064 8 0 "[ . 1 . 2]" 1 89 GLU 0.219 0.066 11 0 "[ . 1 . 2]" 1 104 SER 0.286 0.064 8 0 "[ . 1 . 2]" 1 105 TYR 0.086 0.043 3 0 "[ . 1 . 2]" 1 106 PHE 0.130 0.030 12 0 "[ . 1 . 2]" 1 107 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 108 PHE 0.599 0.102 3 0 "[ . 1 . 2]" 1 109 VAL 0.146 0.083 2 0 "[ . 1 . 2]" 1 121 VAL 0.117 0.060 13 0 "[ . 1 . 2]" 1 123 LEU 0.063 0.038 19 0 "[ . 1 . 2]" 1 124 SER 0.260 0.073 16 0 "[ . 1 . 2]" 1 126 ASP 0.245 0.053 15 0 "[ . 1 . 2]" 1 131 THR 0.245 0.053 15 0 "[ . 1 . 2]" 1 132 SER 0.045 0.043 3 0 "[ . 1 . 2]" 1 133 TYR 0.323 0.073 16 0 "[ . 1 . 2]" 1 134 PHE 0.042 0.026 1 0 "[ . 1 . 2]" 1 135 SER 0.117 0.060 13 0 "[ . 1 . 2]" 1 136 TRP 0.115 0.083 2 0 "[ . 1 . 2]" 1 138 THR 0.031 0.020 10 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 11 VAL O 1 20 PHE N 2.800 2.600 3.000 2.727 2.639 2.920 . 0 0 "[ . 1 . 2]" 3 2 1 11 VAL N 1 20 PHE O 2.800 2.600 3.000 2.893 2.726 3.031 0.031 4 0 "[ . 1 . 2]" 3 3 1 31 TYR O 1 43 LEU N 2.800 2.600 3.000 2.917 2.746 3.164 0.164 20 0 "[ . 1 . 2]" 3 4 1 40 LYS O 1 62 THR N 2.800 2.600 3.000 2.872 2.671 3.074 0.074 5 0 "[ . 1 . 2]" 3 5 1 42 GLU O 1 60 CYS N 2.800 2.600 3.000 2.774 2.626 3.078 0.078 19 0 "[ . 1 . 2]" 3 6 1 31 TYR N 1 43 LEU O 2.800 2.600 3.000 2.730 2.600 2.896 0.000 13 0 "[ . 1 . 2]" 3 7 1 56 GLY O 1 73 LEU N 2.800 2.600 3.000 2.756 2.628 2.983 . 0 0 "[ . 1 . 2]" 3 8 1 44 ASN N 1 58 ALA O 2.800 2.600 3.000 2.961 2.796 3.098 0.098 10 0 "[ . 1 . 2]" 3 9 1 59 VAL O 1 70 ALA N 2.800 2.600 3.000 2.913 2.773 3.047 0.047 3 0 "[ . 1 . 2]" 3 10 1 42 GLU N 1 60 CYS O 2.800 2.600 3.000 2.877 2.768 3.048 0.048 20 0 "[ . 1 . 2]" 3 11 1 58 ALA N 1 71 GLY O 2.800 2.600 3.000 2.987 2.764 3.073 0.073 3 0 "[ . 1 . 2]" 3 12 1 78 THR O 1 85 LYS N 2.800 2.600 3.000 2.741 2.668 2.880 . 0 0 "[ . 1 . 2]" 3 13 1 84 LEU O 1 108 PHE N 2.800 2.600 3.000 2.671 2.613 2.750 . 0 0 "[ . 1 . 2]" 3 14 1 78 THR N 1 85 LYS O 2.800 2.600 3.000 3.013 2.804 3.165 0.165 8 0 "[ . 1 . 2]" 3 15 1 86 LEU O 1 106 PHE N 2.800 2.600 3.000 2.823 2.757 3.010 0.010 11 0 "[ . 1 . 2]" 3 16 1 88 TYR O 1 104 SER N 2.800 2.600 3.000 2.791 2.623 3.000 . 1 0 "[ . 1 . 2]" 3 17 1 72 LYS N 1 89 GLU O 2.800 2.600 3.000 2.897 2.649 3.066 0.066 11 0 "[ . 1 . 2]" 3 18 1 88 TYR N 1 104 SER O 2.800 2.600 3.000 2.935 2.745 3.064 0.064 8 0 "[ . 1 . 2]" 3 19 1 105 TYR O 1 134 PHE N 2.800 2.600 3.000 2.871 2.745 3.026 0.026 1 0 "[ . 1 . 2]" 3 20 1 86 LEU N 1 106 PHE O 2.800 2.600 3.000 2.961 2.806 3.030 0.030 12 0 "[ . 1 . 2]" 3 21 1 107 SER O 1 136 TRP N 2.800 2.600 3.000 2.762 2.645 2.972 . 0 0 "[ . 1 . 2]" 3 22 1 84 LEU N 1 108 PHE O 2.800 2.600 3.000 2.986 2.799 3.102 0.102 3 0 "[ . 1 . 2]" 3 23 1 109 VAL O 1 138 THR N 2.800 2.600 3.000 2.872 2.725 3.020 0.020 10 0 "[ . 1 . 2]" 3 24 1 121 VAL O 1 135 SER N 2.800 2.600 3.000 2.797 2.687 3.018 0.018 20 0 "[ . 1 . 2]" 3 25 1 124 SER O 1 133 TYR N 2.800 2.600 3.000 2.904 2.695 3.073 0.073 16 0 "[ . 1 . 2]" 3 26 1 126 ASP O 1 131 THR N 2.800 2.600 3.000 2.934 2.713 3.053 0.053 15 0 "[ . 1 . 2]" 3 27 1 126 ASP N 1 131 THR O 2.800 2.600 3.000 2.842 2.674 3.022 0.022 18 0 "[ . 1 . 2]" 3 28 1 105 TYR N 1 132 SER O 2.800 2.600 3.000 2.818 2.678 3.043 0.043 3 0 "[ . 1 . 2]" 3 29 1 123 LEU N 1 133 TYR O 2.800 2.600 3.000 2.878 2.796 3.038 0.038 19 0 "[ . 1 . 2]" 3 30 1 107 SER N 1 134 PHE O 2.800 2.600 3.000 2.787 2.704 2.965 . 0 0 "[ . 1 . 2]" 3 31 1 121 VAL N 1 135 SER O 2.800 2.600 3.000 2.776 2.668 3.060 0.060 13 0 "[ . 1 . 2]" 3 32 1 109 VAL N 1 136 TRP O 2.800 2.600 3.000 2.883 2.726 3.083 0.083 2 0 "[ . 1 . 2]" 3 stop_ save_
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