NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
526567 |
2lmd   |
18112 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lmd
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 1306
_Distance_constraint_stats_list.Viol_count 1171
_Distance_constraint_stats_list.Viol_total 2548.545
_Distance_constraint_stats_list.Viol_max 0.927
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.1088
_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 12 ALA 0.912 0.298 12 0 "[ . 1 . 2]"
1 13 MET 1.202 0.298 12 0 "[ . 1 . 2]"
1 14 GLN 0.889 0.386 4 0 "[ . 1 . 2]"
1 15 GLU 0.889 0.386 4 0 "[ . 1 . 2]"
1 16 GLY 1.229 0.269 13 0 "[ . 1 . 2]"
1 17 LEU 5.061 0.331 13 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 HIS 0.974 0.219 4 0 "[ . 1 . 2]"
1 22 LEU 3.777 0.284 9 0 "[ . 1 . 2]"
1 25 ALA 1.469 0.290 17 0 "[ . 1 . 2]"
1 27 LEU 0.219 0.107 9 0 "[ . 1 . 2]"
1 28 MET 1.677 0.279 16 0 "[ . 1 . 2]"
1 29 PHE 0.143 0.143 4 0 "[ . 1 . 2]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 THR 2.244 0.241 20 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 MET 4.673 0.288 17 0 "[ . 1 . 2]"
1 40 LEU 2.131 0.288 17 0 "[ . 1 . 2]"
1 41 LYS 0.477 0.171 17 0 "[ . 1 . 2]"
1 42 THR 1.057 0.215 17 0 "[ . 1 . 2]"
1 43 TYR 2.941 0.279 16 0 "[ . 1 . 2]"
1 44 PHE 4.701 0.262 7 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 6.885 0.236 10 0 "[ . 1 . 2]"
1 48 LYS 0.362 0.131 17 0 "[ . 1 . 2]"
1 49 PHE 4.387 0.264 12 0 "[ . 1 . 2]"
1 50 ASN 0.008 0.008 15 0 "[ . 1 . 2]"
1 53 ILE 2.138 0.331 13 0 "[ . 1 . 2]"
1 54 THR 0.057 0.057 5 0 "[ . 1 . 2]"
1 55 SER 0.042 0.028 12 0 "[ . 1 . 2]"
1 57 LEU 3.230 0.199 15 0 "[ . 1 . 2]"
1 58 ILE 1.364 0.199 15 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TRP 6.293 0.284 9 0 "[ . 1 . 2]"
1 61 PHE 0.896 0.290 17 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.400 0.121 9 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PHE 0.291 0.160 15 0 "[ . 1 . 2]"
1 68 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 0.216 0.169 7 0 "[ . 1 . 2]"
1 71 GLN 0.998 0.171 14 0 "[ . 1 . 2]"
1 72 MET 2.933 0.211 14 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 0.585 0.172 15 0 "[ . 1 . 2]"
1 75 TYR 1.165 0.172 15 0 "[ . 1 . 2]"
1 76 ALA 0.594 0.117 9 0 "[ . 1 . 2]"
1 77 ARG 0.168 0.115 8 0 "[ . 1 . 2]"
1 78 GLN 0.156 0.070 18 0 "[ . 1 . 2]"
1 79 ALA 1.123 0.109 18 0 "[ . 1 . 2]"
1 80 ILE 2.849 0.188 7 0 "[ . 1 . 2]"
1 81 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ASP 0.622 0.092 13 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 1.300 0.194 9 0 "[ . 1 . 2]"
1 85 THR 0.372 0.194 9 0 "[ . 1 . 2]"
1 86 SER 0.204 0.185 16 0 "[ . 1 . 2]"
1 87 THR 4.192 0.378 16 0 "[ . 1 . 2]"
1 88 GLU 0.371 0.138 13 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 6.460 0.378 16 0 "[ . 1 . 2]"
1 91 SER 2.763 0.203 8 0 "[ . 1 . 2]"
1 92 ILE 4.474 0.385 8 0 "[ . 1 . 2]"
1 93 THR 3.384 0.927 10 1 "[ . + . 2]"
1 94 ARG 0.609 0.182 9 0 "[ . 1 . 2]"
1 95 ASP 4.149 0.927 10 1 "[ . + . 2]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 0.392 0.089 11 0 "[ . 1 . 2]"
1 99 TYR 3.337 0.385 2 0 "[ . 1 . 2]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LEU 0.124 0.077 18 0 "[ . 1 . 2]"
1 103 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 TYR 0.815 0.160 15 0 "[ . 1 . 2]"
1 107 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LYS 2.040 0.345 8 0 "[ . 1 . 2]"
1 109 ALA 1.190 0.345 8 0 "[ . 1 . 2]"
1 110 ASN 1.265 0.217 17 0 "[ . 1 . 2]"
1 111 ASP 0.872 0.258 16 0 "[ . 1 . 2]"
1 112 PHE 1.807 0.318 2 0 "[ . 1 . 2]"
1 113 GLU 1.297 0.327 14 0 "[ . 1 . 2]"
1 114 VAL 4.914 0.327 14 0 "[ . 1 . 2]"
1 115 PRO 0.072 0.060 13 0 "[ . 1 . 2]"
1 116 GLU 0.072 0.060 13 0 "[ . 1 . 2]"
1 117 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 PHE 0.075 0.064 19 0 "[ . 1 . 2]"
1 119 LEU 6.476 0.259 17 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 3.687 0.249 8 0 "[ . 1 . 2]"
1 122 ALA 3.549 0.385 8 0 "[ . 1 . 2]"
1 123 GLN 0.924 0.373 10 0 "[ . 1 . 2]"
1 124 ILE 1.882 0.249 8 0 "[ . 1 . 2]"
1 125 THR 1.990 0.373 10 0 "[ . 1 . 2]"
1 126 LEU 3.301 0.231 6 0 "[ . 1 . 2]"
1 127 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 GLU 0.154 0.075 5 0 "[ . 1 . 2]"
1 129 PHE 1.511 0.275 12 0 "[ . 1 . 2]"
1 130 PHE 0.337 0.176 6 0 "[ . 1 . 2]"
1 131 ASN 0.098 0.088 12 0 "[ . 1 . 2]"
1 132 ALA 8.337 0.610 8 1 "[ . + 1 . 2]"
1 133 ILE 9.932 0.664 15 1 "[ . 1 + 2]"
1 134 ILE 8.665 0.610 8 1 "[ . + 1 . 2]"
1 135 ALA 1.071 0.325 13 0 "[ . 1 . 2]"
1 136 GLY 0.848 0.391 7 0 "[ . 1 . 2]"
1 137 LYS 4.855 0.489 17 0 "[ . 1 . 2]"
1 138 ASP 1.700 0.391 7 0 "[ . 1 . 2]"
1 139 VAL 6.082 0.664 15 1 "[ . 1 + 2]"
1 140 ASP 0.542 0.219 20 0 "[ . 1 . 2]"
1 141 PRO 1.758 0.360 12 0 "[ . 1 . 2]"
1 142 SER 0.260 0.125 4 0 "[ . 1 . 2]"
1 143 TRP 4.472 0.364 12 0 "[ . 1 . 2]"
1 144 LYS 0.125 0.125 4 0 "[ . 1 . 2]"
1 145 LYS 0.258 0.084 1 0 "[ . 1 . 2]"
1 146 ALA 0.065 0.040 19 0 "[ . 1 . 2]"
1 147 ILE 2.852 0.279 3 0 "[ . 1 . 2]"
1 148 TYR 0.193 0.084 1 0 "[ . 1 . 2]"
1 149 LYS 0.076 0.073 11 0 "[ . 1 . 2]"
1 150 VAL 7.156 0.515 10 1 "[ . + . 2]"
1 151 ILE 7.162 0.515 10 1 "[ . + . 2]"
1 152 CYS 2.414 0.251 20 0 "[ . 1 . 2]"
1 153 LYS 1.077 0.203 14 0 "[ . 1 . 2]"
1 154 LEU 1.524 0.203 14 0 "[ . 1 . 2]"
1 155 ASP 0.337 0.251 20 0 "[ . 1 . 2]"
1 156 SER 0.600 0.187 9 0 "[ . 1 . 2]"
1 157 GLU 0.975 0.211 15 0 "[ . 1 . 2]"
1 158 VAL 2.477 0.226 13 0 "[ . 1 . 2]"
1 159 PRO 0.292 0.164 13 0 "[ . 1 . 2]"
1 160 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 ILE 3.823 0.237 9 0 "[ . 1 . 2]"
1 162 PHE 0.460 0.223 19 0 "[ . 1 . 2]"
1 163 LYS 0.535 0.210 20 0 "[ . 1 . 2]"
1 164 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 165 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 167 CYS 2.189 0.427 1 0 "[ . 1 . 2]"
1 168 LEU 13.476 0.427 1 0 "[ . 1 . 2]"
1 169 GLN 1.009 0.200 11 0 "[ . 1 . 2]"
1 170 GLU 0.596 0.163 9 0 "[ . 1 . 2]"
1 171 LEU 7.829 0.333 17 0 "[ . 1 . 2]"
1 172 LEU 2.492 0.246 16 0 "[ . 1 . 2]"
1 173 HIS 0.000 0.000 . 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 28 MET ME 1 44 PHE HE1 3.460 . 3.980 3.265 2.349 4.034 0.054 3 0 "[ . 1 . 2]" 1
2 1 86 SER HA 1 87 THR MG 4.490 . 5.160 4.036 3.593 5.345 0.185 16 0 "[ . 1 . 2]" 1
3 1 87 THR MG 1 127 ARG HA 3.400 . 3.910 2.304 1.803 3.019 . 0 0 "[ . 1 . 2]" 1
4 1 72 MET ME 1 126 LEU MD2 3.550 . 4.080 3.609 2.701 4.227 0.147 1 0 "[ . 1 . 2]" 1
5 1 75 TYR HE2 1 102 LEU QD 3.590 . 4.130 3.121 2.079 3.794 . 0 0 "[ . 1 . 2]" 1
6 1 85 THR MG 1 86 SER H 4.400 . 5.060 4.116 2.604 4.434 . 0 0 "[ . 1 . 2]" 1
7 1 79 ALA MB 1 84 VAL MG2 3.180 . 3.660 3.506 2.903 3.768 0.108 13 0 "[ . 1 . 2]" 1
8 1 84 VAL HA 1 84 VAL MG2 3.290 . 3.780 2.507 2.429 2.580 . 0 0 "[ . 1 . 2]" 1
9 1 84 VAL MG2 1 85 THR H 4.260 . 4.900 3.904 3.516 4.235 . 0 0 "[ . 1 . 2]" 1
10 1 82 ASP H 1 84 VAL MG2 4.290 . 4.930 4.140 3.662 4.793 . 0 0 "[ . 1 . 2]" 1
11 1 84 VAL MG2 1 86 SER H 4.670 . 5.370 4.554 4.262 4.922 . 0 0 "[ . 1 . 2]" 1
12 1 125 THR H 1 151 ILE MD 5.300 . 6.100 5.227 4.258 6.165 0.065 13 0 "[ . 1 . 2]" 1
13 1 150 VAL H 1 151 ILE MD 4.290 . 4.930 4.875 4.053 5.010 0.080 8 0 "[ . 1 . 2]" 1
14 1 80 ILE MD 1 80 ILE MG 3.220 . 3.700 2.819 2.058 3.314 . 0 0 "[ . 1 . 2]" 1
15 1 80 ILE MD 1 134 ILE H 3.900 . 4.490 2.961 2.575 3.476 . 0 0 "[ . 1 . 2]" 1
16 1 80 ILE MD 1 81 ASN H 4.340 . 4.990 4.421 4.178 4.734 . 0 0 "[ . 1 . 2]" 1
17 1 80 ILE MD 1 135 ALA H 5.130 . 5.900 5.102 4.683 5.612 . 0 0 "[ . 1 . 2]" 1
18 1 168 LEU MD1 1 171 LEU H 4.690 . 5.390 4.954 4.610 5.268 . 0 0 "[ . 1 . 2]" 1
19 1 168 LEU MD2 1 171 LEU H 3.670 . 4.220 4.176 3.859 4.429 0.209 8 0 "[ . 1 . 2]" 1
20 1 160 GLU H 1 161 ILE MG 5.450 . 6.270 4.749 3.560 6.050 . 0 0 "[ . 1 . 2]" 1
21 1 17 LEU MD1 1 57 LEU H 4.790 . 5.510 3.288 2.916 3.695 . 0 0 "[ . 1 . 2]" 1
22 1 17 LEU MD1 1 21 HIS HE1 5.500 . 6.330 4.690 2.771 6.248 . 0 0 "[ . 1 . 2]" 1
23 1 17 LEU MD2 1 49 PHE HE1 5.240 . 6.030 5.224 4.428 5.897 . 0 0 "[ . 1 . 2]" 1
24 1 161 ILE HB 1 161 ILE MD 2.910 . 3.350 2.541 2.465 2.620 . 0 0 "[ . 1 . 2]" 1
25 1 58 ILE HB 1 58 ILE MD 3.500 . 4.030 2.689 2.457 3.297 . 0 0 "[ . 1 . 2]" 1
26 1 124 ILE H 1 124 ILE MG 3.790 . 4.360 3.803 3.752 3.843 . 0 0 "[ . 1 . 2]" 1
27 1 124 ILE HB 1 154 LEU MD1 3.500 . 4.030 2.583 2.063 3.331 . 0 0 "[ . 1 . 2]" 1
28 1 125 THR H 1 154 LEU MD1 4.990 . 5.740 4.511 3.679 5.397 . 0 0 "[ . 1 . 2]" 1
29 1 124 ILE H 1 154 LEU MD1 5.110 . 5.880 4.192 3.705 4.931 . 0 0 "[ . 1 . 2]" 1
30 1 151 ILE H 1 154 LEU MD1 5.480 . 6.300 4.670 4.306 5.204 . 0 0 "[ . 1 . 2]" 1
31 1 92 ILE MD 1 92 ILE MG 3.140 . 3.610 2.647 2.032 3.328 . 0 0 "[ . 1 . 2]" 1
32 1 134 ILE H 1 134 ILE MD 4.040 . 4.650 4.409 4.338 4.506 . 0 0 "[ . 1 . 2]" 1
33 1 92 ILE H 1 92 ILE MD 4.200 . 4.830 3.878 2.429 4.290 . 0 0 "[ . 1 . 2]" 1
34 1 131 ASN HA 1 134 ILE MG 3.190 . 3.670 2.072 1.913 2.237 . 0 0 "[ . 1 . 2]" 1
35 1 133 ILE MD 1 143 TRP HE3 4.280 . 4.920 3.955 2.550 5.284 0.364 12 0 "[ . 1 . 2]" 1
36 1 124 ILE H 1 124 ILE MD 3.670 . 4.220 3.686 3.416 3.845 . 0 0 "[ . 1 . 2]" 1
37 1 124 ILE MD 1 125 THR H 4.490 . 5.160 4.893 4.637 5.022 . 0 0 "[ . 1 . 2]" 1
38 1 124 ILE HB 1 124 ILE MD 3.110 . 3.580 2.508 2.432 2.564 . 0 0 "[ . 1 . 2]" 1
39 1 22 LEU MD2 1 25 ALA MB 4.910 . 5.650 4.944 4.181 5.757 0.107 1 0 "[ . 1 . 2]" 1
40 1 89 GLU H 1 90 LEU MD2 4.010 . 4.610 3.030 2.247 3.955 . 0 0 "[ . 1 . 2]" 1
41 1 95 ASP H 1 119 LEU MD1 4.780 . 5.500 4.829 3.677 5.602 0.102 20 0 "[ . 1 . 2]" 1
42 1 92 ILE H 1 119 LEU MD1 5.170 . 5.950 5.107 4.111 6.099 0.149 4 0 "[ . 1 . 2]" 1
43 1 169 GLN H 1 171 LEU MD2 4.660 . 5.360 5.163 4.164 5.531 0.171 11 0 "[ . 1 . 2]" 1
44 1 44 PHE HD2 1 57 LEU MD1 4.070 . 4.680 2.970 2.285 3.558 . 0 0 "[ . 1 . 2]" 1
45 1 49 PHE HE1 1 57 LEU MD1 3.710 . 4.270 2.429 1.822 3.606 . 0 0 "[ . 1 . 2]" 1
46 1 75 TYR HE2 1 98 LEU QD 3.800 . 4.370 3.459 2.395 4.101 . 0 0 "[ . 1 . 2]" 1
47 1 98 LEU H 1 98 LEU QD 4.440 . 4.990 3.801 3.691 3.847 . 0 0 "[ . 1 . 2]" 1
48 1 87 THR H 1 126 LEU MD2 5.420 . 6.230 5.049 4.709 5.682 . 0 0 "[ . 1 . 2]" 1
49 1 98 LEU QD 1 99 TYR HD1 5.500 . 6.330 3.698 2.752 4.243 . 0 0 "[ . 1 . 2]" 1
50 1 143 TRP HZ3 1 147 ILE MD 4.000 . 4.600 3.832 2.504 4.685 0.085 4 0 "[ . 1 . 2]" 1
51 1 147 ILE MD 1 148 TYR H 4.660 . 5.360 4.479 4.212 4.842 . 0 0 "[ . 1 . 2]" 1
52 1 133 ILE H 1 147 ILE MD 5.500 . 6.330 5.778 5.028 6.387 0.057 9 0 "[ . 1 . 2]" 1
53 1 49 PHE HD1 1 57 LEU MD2 5.000 . 5.750 5.166 4.362 5.744 . 0 0 "[ . 1 . 2]" 1
54 1 113 GLU HA 1 114 VAL MG1 4.830 . 5.550 4.277 3.550 5.150 . 0 0 "[ . 1 . 2]" 1
55 1 139 VAL HA 1 139 VAL MG1 2.930 . 3.370 2.382 2.284 2.485 . 0 0 "[ . 1 . 2]" 1
56 1 125 THR MG 1 151 ILE MG 3.960 . 4.550 3.248 2.799 3.758 . 0 0 "[ . 1 . 2]" 1
57 1 129 PHE QE 1 151 ILE MG 5.120 . 5.890 5.000 4.479 5.619 . 0 0 "[ . 1 . 2]" 1
58 1 126 LEU H 1 151 ILE MG 5.410 . 6.220 4.965 4.665 5.175 . 0 0 "[ . 1 . 2]" 1
59 1 151 ILE MG 1 154 LEU HG 4.070 . 4.680 4.048 3.436 4.701 0.021 2 0 "[ . 1 . 2]" 1
60 1 93 THR H 1 122 ALA MB 4.730 . 5.440 4.551 3.991 5.133 . 0 0 "[ . 1 . 2]" 1
61 1 13 MET H 1 13 MET ME 3.770 . 4.340 3.208 2.005 4.612 0.272 3 0 "[ . 1 . 2]" 1
62 1 124 ILE H 1 125 THR MG 5.000 . 5.750 4.477 4.021 5.776 0.026 10 0 "[ . 1 . 2]" 1
63 1 85 THR HA 1 85 THR MG 2.980 . 3.430 2.552 2.338 3.275 . 0 0 "[ . 1 . 2]" 1
64 1 121 VAL MG2 1 122 ALA H 4.480 . 5.150 4.028 3.904 4.183 . 0 0 "[ . 1 . 2]" 1
65 1 75 TYR H 1 126 LEU MD1 4.190 . 4.820 3.940 3.698 4.428 . 0 0 "[ . 1 . 2]" 1
66 1 79 ALA MB 1 90 LEU MD1 3.240 . 3.730 2.221 1.903 3.195 . 0 0 "[ . 1 . 2]" 1
67 1 57 LEU MD1 1 60 TRP HH2 4.800 . 5.520 5.278 4.274 5.672 0.152 11 0 "[ . 1 . 2]" 1
68 1 32 THR MG 1 43 TYR HD2 4.030 . 4.630 3.789 2.466 4.716 0.086 16 0 "[ . 1 . 2]" 1
69 1 133 ILE MG 1 135 ALA H 4.850 . 5.580 5.041 4.865 5.168 . 0 0 "[ . 1 . 2]" 1
70 1 92 ILE MD 1 122 ALA MB 3.380 . 3.890 4.044 3.868 4.275 0.385 8 0 "[ . 1 . 2]" 1
71 1 124 ILE MD 1 154 LEU MD2 3.010 . 3.460 2.269 1.903 2.878 . 0 0 "[ . 1 . 2]" 1
72 1 149 LYS H 1 151 ILE MG 5.480 . 6.300 5.583 5.386 5.837 . 0 0 "[ . 1 . 2]" 1
73 1 58 ILE HG12 1 58 ILE MG 3.260 . 3.750 2.675 2.449 3.259 . 0 0 "[ . 1 . 2]" 1
74 1 58 ILE HG13 1 58 ILE MG 3.400 . 3.910 3.041 2.369 3.264 . 0 0 "[ . 1 . 2]" 1
75 1 25 ALA MB 1 44 PHE HE2 3.840 . 4.420 3.577 2.448 4.450 0.030 20 0 "[ . 1 . 2]" 1
76 1 25 ALA MB 1 44 PHE HE1 4.290 . 4.930 3.637 2.535 4.981 0.051 11 0 "[ . 1 . 2]" 1
77 1 39 MET ME 1 40 LEU HA 3.280 . 3.770 3.548 2.004 3.953 0.183 17 0 "[ . 1 . 2]" 1
78 1 45 SER HA 1 47 VAL MG2 5.500 . 6.330 5.434 4.963 5.903 . 0 0 "[ . 1 . 2]" 1
79 1 47 VAL MG2 1 48 LYS HA 5.500 . 6.330 5.800 5.658 5.895 . 0 0 "[ . 1 . 2]" 1
80 1 47 VAL MG2 1 49 PHE HA 5.250 . 6.040 5.332 4.955 5.777 . 0 0 "[ . 1 . 2]" 1
81 1 17 LEU MD2 1 49 PHE HA 4.730 . 5.440 5.127 4.252 5.704 0.264 12 0 "[ . 1 . 2]" 1
82 1 17 LEU MD2 1 25 ALA MB 4.820 . 5.540 5.065 4.173 5.693 0.153 6 0 "[ . 1 . 2]" 1
83 1 17 LEU MD2 1 47 VAL HB 5.100 . 5.870 4.281 3.950 5.055 . 0 0 "[ . 1 . 2]" 1
84 1 17 LEU MD2 1 53 ILE HB 4.290 . 4.930 3.167 1.962 5.066 0.136 15 0 "[ . 1 . 2]" 1
85 1 43 TYR HD2 1 158 VAL MG1 3.950 . 4.540 3.221 2.292 4.459 . 0 0 "[ . 1 . 2]" 1
86 1 39 MET HA 1 158 VAL MG1 5.500 . 6.330 5.829 4.561 6.476 0.146 13 0 "[ . 1 . 2]" 1
87 1 157 GLU HA 1 158 VAL MG2 4.380 . 5.040 4.091 3.839 4.595 . 0 0 "[ . 1 . 2]" 1
88 1 44 PHE H 1 57 LEU MD1 5.500 . 6.330 5.585 5.252 6.037 . 0 0 "[ . 1 . 2]" 1
89 1 76 ALA HA 1 90 LEU MD1 4.310 . 4.960 3.134 2.392 4.500 . 0 0 "[ . 1 . 2]" 1
90 1 87 THR HB 1 90 LEU MD1 3.680 . 4.230 3.810 3.238 4.354 0.124 10 0 "[ . 1 . 2]" 1
91 1 39 MET ME 1 57 LEU MD1 5.140 . 5.910 5.497 4.939 5.922 0.012 13 0 "[ . 1 . 2]" 1
92 1 40 LEU HA 1 57 LEU MD2 4.970 . 5.720 4.273 3.617 4.676 . 0 0 "[ . 1 . 2]" 1
93 1 57 LEU MD2 1 58 ILE HG13 4.440 . 5.110 4.371 3.593 5.201 0.091 18 0 "[ . 1 . 2]" 1
94 1 57 LEU MD2 1 58 ILE HG12 3.840 . 4.420 4.213 3.133 4.619 0.199 15 0 "[ . 1 . 2]" 1
95 1 17 LEU MD1 1 57 LEU HG 3.570 . 4.110 2.747 2.061 4.116 0.006 12 0 "[ . 1 . 2]" 1
96 1 87 THR HA 1 90 LEU MD2 4.110 . 4.730 2.659 1.888 3.325 . 0 0 "[ . 1 . 2]" 1
97 1 44 PHE HE2 1 47 VAL MG1 5.500 . 6.330 6.345 5.830 6.565 0.235 7 0 "[ . 1 . 2]" 1
98 1 47 VAL MG1 1 48 LYS HA 4.160 . 4.780 4.281 3.925 4.807 0.027 11 0 "[ . 1 . 2]" 1
99 1 118 PHE H 1 119 LEU MD2 4.270 . 4.910 3.568 3.373 3.871 . 0 0 "[ . 1 . 2]" 1
100 1 98 LEU QD 1 102 LEU HB2 4.880 . 5.610 4.152 3.916 4.556 . 0 0 "[ . 1 . 2]" 1
101 1 98 LEU QD 1 102 LEU HB3 4.880 . 5.610 4.595 4.479 4.793 . 0 0 "[ . 1 . 2]" 1
102 1 172 LEU MD1 1 173 HIS H 4.500 . 5.180 4.006 2.813 4.800 . 0 0 "[ . 1 . 2]" 1
103 1 93 THR HA 1 119 LEU MD1 3.570 . 4.110 2.456 1.871 3.021 . 0 0 "[ . 1 . 2]" 1
104 1 119 LEU HB3 1 119 LEU MD1 3.330 . 3.830 2.517 2.465 2.608 . 0 0 "[ . 1 . 2]" 1
105 1 168 LEU MD2 1 169 GLN H 4.780 . 5.500 3.743 3.184 4.238 . 0 0 "[ . 1 . 2]" 1
106 1 92 ILE MG 1 119 LEU HB3 4.810 . 5.530 5.200 4.471 5.745 0.215 5 0 "[ . 1 . 2]" 1
107 1 121 VAL MG2 1 152 CYS H 4.960 . 5.700 5.609 4.919 5.882 0.182 10 0 "[ . 1 . 2]" 1
108 1 121 VAL MG2 1 154 LEU HA 5.030 . 5.780 5.042 4.250 5.834 0.054 2 0 "[ . 1 . 2]" 1
109 1 121 VAL MG2 1 152 CYS HA 4.680 . 5.380 5.214 4.390 5.596 0.216 15 0 "[ . 1 . 2]" 1
110 1 101 ALA HA 1 102 LEU QD 5.270 . 6.060 5.028 4.718 5.361 . 0 0 "[ . 1 . 2]" 1
111 1 76 ALA MB 1 129 PHE HA 4.420 . 5.080 4.053 3.763 4.305 . 0 0 "[ . 1 . 2]" 1
112 1 73 GLU HA 1 76 ALA MB 4.120 . 4.740 2.792 2.265 3.505 . 0 0 "[ . 1 . 2]" 1
113 1 39 MET ME 1 44 PHE H 4.320 . 4.970 4.752 4.043 5.115 0.145 8 0 "[ . 1 . 2]" 1
114 1 25 ALA MB 1 61 PHE H 5.500 . 6.330 5.356 4.033 6.006 . 0 0 "[ . 1 . 2]" 1
115 1 25 ALA MB 1 57 LEU HA 4.780 . 5.500 4.761 4.150 5.529 0.029 2 0 "[ . 1 . 2]" 1
116 1 122 ALA MB 1 126 LEU H 4.740 . 5.450 4.583 4.377 4.704 . 0 0 "[ . 1 . 2]" 1
117 1 57 LEU HB3 1 58 ILE MG 5.390 . 6.200 5.429 5.313 5.629 . 0 0 "[ . 1 . 2]" 1
118 1 124 ILE MG 1 150 VAL HB 4.220 . 4.850 3.004 2.187 3.692 . 0 0 "[ . 1 . 2]" 1
119 1 168 LEU HB2 1 171 LEU MD1 3.570 . 4.110 2.583 2.154 3.265 . 0 0 "[ . 1 . 2]" 1
120 1 32 THR MG 1 158 VAL HB 4.690 . 5.390 4.667 3.412 5.569 0.179 5 0 "[ . 1 . 2]" 1
121 1 80 ILE MD 1 131 ASN HA 4.540 . 5.220 4.759 4.258 5.308 0.088 12 0 "[ . 1 . 2]" 1
122 1 80 ILE MD 1 133 ILE HB 3.790 . 4.360 2.923 2.407 3.494 . 0 0 "[ . 1 . 2]" 1
123 1 121 VAL HA 1 124 ILE MD 3.560 . 4.090 3.708 3.095 4.028 . 0 0 "[ . 1 . 2]" 1
124 1 80 ILE MG 1 81 ASN HA 4.140 . 4.760 3.254 2.885 3.883 . 0 0 "[ . 1 . 2]" 1
125 1 132 ALA MB 1 147 ILE MD 3.690 . 4.240 3.022 2.314 3.844 . 0 0 "[ . 1 . 2]" 1
126 1 147 ILE MD 1 147 ILE MG 3.350 . 3.850 2.645 1.994 3.318 . 0 0 "[ . 1 . 2]" 1
127 1 121 VAL HA 1 154 LEU MD1 4.530 . 5.210 2.246 1.920 2.925 . 0 0 "[ . 1 . 2]" 1
128 1 161 ILE MD 1 167 CYS H 4.230 . 4.860 3.965 2.870 4.983 0.123 6 0 "[ . 1 . 2]" 1
129 1 22 LEU MD1 1 60 TRP HH2 4.700 . 5.400 4.653 4.071 5.399 . 0 0 "[ . 1 . 2]" 1
130 1 22 LEU MD1 1 60 TRP HE3 3.940 . 4.530 3.230 2.620 3.782 . 0 0 "[ . 1 . 2]" 1
131 1 22 LEU MD1 1 25 ALA MB 3.710 . 4.270 3.095 2.338 3.826 . 0 0 "[ . 1 . 2]" 1
132 1 28 MET ME 1 44 PHE HZ 3.850 . 4.430 3.829 2.331 4.692 0.262 7 0 "[ . 1 . 2]" 1
133 1 28 MET ME 1 44 PHE H 4.850 . 5.580 4.734 3.779 5.430 . 0 0 "[ . 1 . 2]" 1
134 1 28 MET ME 1 43 TYR HE2 4.360 . 5.010 4.575 3.425 5.289 0.279 16 0 "[ . 1 . 2]" 1
135 1 87 THR MG 1 90 LEU MD1 3.380 . 3.890 2.840 2.035 3.788 . 0 0 "[ . 1 . 2]" 1
136 1 87 THR MG 1 131 ASN H 4.450 . 5.120 4.678 4.224 5.111 . 0 0 "[ . 1 . 2]" 1
137 1 87 THR MG 1 128 GLU H 4.900 . 5.640 5.117 4.566 5.676 0.036 8 0 "[ . 1 . 2]" 1
138 1 87 THR MG 1 127 ARG H 3.740 . 4.300 3.708 2.925 4.282 . 0 0 "[ . 1 . 2]" 1
139 1 86 SER H 1 87 THR MG 5.140 . 5.910 4.961 4.261 5.762 . 0 0 "[ . 1 . 2]" 1
140 1 87 THR HA 1 87 THR MG 3.180 . 3.660 2.349 2.312 2.421 . 0 0 "[ . 1 . 2]" 1
141 1 79 ALA MB 1 87 THR MG 4.190 . 4.820 3.721 2.728 4.717 . 0 0 "[ . 1 . 2]" 1
142 1 87 THR MG 1 126 LEU HG 3.480 . 4.000 2.352 1.874 2.855 . 0 0 "[ . 1 . 2]" 1
143 1 84 VAL MG1 1 87 THR MG 4.600 . 5.290 4.904 4.253 5.454 0.164 16 0 "[ . 1 . 2]" 1
144 1 72 MET ME 1 102 LEU QD 3.130 . 3.600 2.481 1.986 2.984 . 0 0 "[ . 1 . 2]" 1
145 1 72 MET ME 1 126 LEU MD1 3.220 . 3.700 3.330 1.833 3.911 0.211 14 0 "[ . 1 . 2]" 1
146 1 72 MET ME 1 106 TYR QE 4.410 . 5.070 4.479 3.839 5.035 . 0 0 "[ . 1 . 2]" 1
147 1 72 MET ME 1 91 SER H 5.500 . 6.330 5.703 4.607 6.349 0.019 2 0 "[ . 1 . 2]" 1
148 1 72 MET ME 1 126 LEU HA 5.500 . 6.330 4.989 3.281 5.651 . 0 0 "[ . 1 . 2]" 1
149 1 72 MET ME 1 75 TYR HD2 4.090 . 4.700 2.799 1.945 3.513 . 0 0 "[ . 1 . 2]" 1
150 1 102 LEU QD 1 105 HIS H 5.410 . 6.220 4.864 4.567 5.332 . 0 0 "[ . 1 . 2]" 1
151 1 102 LEU QD 1 106 TYR QD 3.930 . 4.520 3.267 2.659 3.794 . 0 0 "[ . 1 . 2]" 1
152 1 54 THR MG 1 58 ILE HG13 3.760 . 4.320 2.693 2.228 2.943 . 0 0 "[ . 1 . 2]" 1
153 1 47 VAL MG1 1 54 THR MG 5.500 . 6.330 4.508 3.640 5.591 . 0 0 "[ . 1 . 2]" 1
154 1 54 THR MG 1 57 LEU H 5.090 . 5.850 4.681 4.406 5.039 . 0 0 "[ . 1 . 2]" 1
155 1 82 ASP HB3 1 84 VAL MG2 3.740 . 4.300 2.236 1.771 3.007 0.029 1 0 "[ . 1 . 2]" 1
156 1 151 ILE H 1 151 ILE MD 4.250 . 4.890 3.339 2.220 3.501 . 0 0 "[ . 1 . 2]" 1
157 1 80 ILE MD 1 133 ILE MG 3.310 . 3.810 3.003 2.288 3.561 . 0 0 "[ . 1 . 2]" 1
158 1 80 ILE MD 1 133 ILE H 4.630 . 5.320 4.302 3.855 4.967 . 0 0 "[ . 1 . 2]" 1
159 1 77 ARG H 1 80 ILE MD 5.340 . 6.140 5.139 4.341 6.129 . 0 0 "[ . 1 . 2]" 1
160 1 78 GLN H 1 80 ILE MD 5.500 . 6.330 5.706 5.018 6.400 0.070 18 0 "[ . 1 . 2]" 1
161 1 80 ILE MD 1 84 VAL H 5.500 . 6.330 5.704 4.920 6.341 0.011 13 0 "[ . 1 . 2]" 1
162 1 167 CYS H 1 168 LEU MD1 3.820 . 4.390 3.735 3.197 4.679 0.289 1 0 "[ . 1 . 2]" 1
163 1 167 CYS HA 1 168 LEU MD1 4.830 . 5.550 4.878 4.433 5.711 0.161 10 0 "[ . 1 . 2]" 1
164 1 168 LEU HA 1 168 LEU MD1 4.140 . 4.760 3.607 3.547 3.666 . 0 0 "[ . 1 . 2]" 1
165 1 168 LEU MD2 1 171 LEU HG 2.920 . 3.360 3.447 2.900 3.693 0.333 17 0 "[ . 1 . 2]" 1
166 1 161 ILE MG 1 163 LYS H 4.110 . 4.730 3.480 2.118 4.660 . 0 0 "[ . 1 . 2]" 1
167 1 17 LEU MD2 1 57 LEU HG 3.580 . 4.120 3.643 2.616 4.255 0.135 1 0 "[ . 1 . 2]" 1
168 1 21 HIS HE1 1 47 VAL MG2 3.310 . 3.810 2.439 1.793 3.510 0.007 5 0 "[ . 1 . 2]" 1
169 1 17 LEU MD1 1 22 LEU MD1 5.170 . 5.950 5.359 4.929 5.848 . 0 0 "[ . 1 . 2]" 1
170 1 17 LEU H 1 17 LEU MD2 4.040 . 4.650 3.397 2.130 4.358 . 0 0 "[ . 1 . 2]" 1
171 1 17 LEU MD2 1 60 TRP HH2 4.190 . 4.820 3.789 2.073 4.570 . 0 0 "[ . 1 . 2]" 1
172 1 17 LEU MD1 1 60 TRP HH2 4.300 . 4.950 2.552 1.855 3.569 . 0 0 "[ . 1 . 2]" 1
173 1 80 ILE MG 1 133 ILE MG 3.180 . 3.660 2.161 1.828 3.047 . 0 0 "[ . 1 . 2]" 1
174 1 80 ILE H 1 80 ILE MG 3.940 . 4.530 3.783 3.704 3.857 . 0 0 "[ . 1 . 2]" 1
175 1 54 THR MG 1 58 ILE MD 3.110 . 3.580 2.502 2.051 3.337 . 0 0 "[ . 1 . 2]" 1
176 1 124 ILE HA 1 124 ILE MG 3.500 . 4.030 2.551 2.462 2.639 . 0 0 "[ . 1 . 2]" 1
177 1 70 ILE MD 1 70 ILE MG 3.200 . 3.680 2.700 2.018 3.329 . 0 0 "[ . 1 . 2]" 1
178 1 147 ILE MG 1 151 ILE MD 3.340 . 3.840 2.069 1.707 2.504 0.093 2 0 "[ . 1 . 2]" 1
179 1 147 ILE MG 1 151 ILE H 4.830 . 5.550 4.158 4.045 4.335 . 0 0 "[ . 1 . 2]" 1
180 1 147 ILE H 1 147 ILE MG 4.090 . 4.700 3.780 3.679 3.873 . 0 0 "[ . 1 . 2]" 1
181 1 121 VAL H 1 154 LEU MD1 5.040 . 5.800 3.643 3.148 4.294 . 0 0 "[ . 1 . 2]" 1
182 1 92 ILE H 1 92 ILE MG 3.980 . 4.580 3.561 2.820 4.231 . 0 0 "[ . 1 . 2]" 1
183 1 134 ILE HA 1 134 ILE MD 3.670 . 4.220 3.391 3.111 3.920 . 0 0 "[ . 1 . 2]" 1
184 1 134 ILE HA 1 134 ILE MG 3.380 . 3.890 3.262 3.248 3.269 . 0 0 "[ . 1 . 2]" 1
185 1 147 ILE MG 1 148 TYR HD1 4.050 . 4.660 3.185 2.218 4.378 . 0 0 "[ . 1 . 2]" 1
186 1 133 ILE MD 1 133 ILE MG 3.270 . 3.760 2.939 2.082 3.316 . 0 0 "[ . 1 . 2]" 1
187 1 133 ILE MD 1 143 TRP HZ3 4.490 . 5.160 2.691 1.947 3.732 . 0 0 "[ . 1 . 2]" 1
188 1 133 ILE H 1 133 ILE MD 4.090 . 4.700 2.620 2.054 3.743 . 0 0 "[ . 1 . 2]" 1
189 1 133 ILE MG 1 134 ILE H 4.260 . 4.900 3.272 2.934 3.551 . 0 0 "[ . 1 . 2]" 1
190 1 22 LEU MD2 1 60 TRP HH2 4.890 . 5.620 4.392 2.988 5.571 . 0 0 "[ . 1 . 2]" 1
191 1 22 LEU MD2 1 60 TRP HE3 4.760 . 5.470 4.878 3.550 5.588 0.118 1 0 "[ . 1 . 2]" 1
192 1 114 VAL MG1 1 119 LEU H 4.720 . 5.430 5.474 4.665 5.663 0.233 19 0 "[ . 1 . 2]" 1
193 1 79 ALA MB 1 90 LEU MD2 2.920 . 3.360 2.545 1.979 3.331 . 0 0 "[ . 1 . 2]" 1
194 1 87 THR MG 1 90 LEU MD2 3.800 . 4.370 3.861 3.177 4.393 0.023 7 0 "[ . 1 . 2]" 1
195 1 84 VAL MG2 1 90 LEU MD2 3.130 . 3.600 3.115 2.612 3.632 0.032 10 0 "[ . 1 . 2]" 1
196 1 90 LEU MD2 1 91 SER H 3.790 . 4.360 4.048 3.382 4.443 0.083 19 0 "[ . 1 . 2]" 1
197 1 87 THR H 1 90 LEU MD2 4.160 . 4.780 4.535 3.893 4.982 0.202 7 0 "[ . 1 . 2]" 1
198 1 172 LEU MD2 1 173 HIS H 5.500 . 6.330 5.177 4.271 5.765 . 0 0 "[ . 1 . 2]" 1
199 1 119 LEU MD1 1 123 GLN H 4.870 . 5.600 4.913 4.461 5.168 . 0 0 "[ . 1 . 2]" 1
200 1 93 THR H 1 119 LEU MD1 3.690 . 4.240 3.848 3.005 4.358 0.118 6 0 "[ . 1 . 2]" 1
201 1 171 LEU H 1 172 LEU MD2 5.420 . 6.230 4.784 3.174 5.940 . 0 0 "[ . 1 . 2]" 1
202 1 99 TYR HD2 1 119 LEU MD2 5.360 . 6.160 4.676 3.384 5.957 . 0 0 "[ . 1 . 2]" 1
203 1 119 LEU H 1 119 LEU MD2 3.520 . 4.050 2.064 1.838 2.317 . 0 0 "[ . 1 . 2]" 1
204 1 168 LEU H 1 171 LEU MD2 4.870 . 5.600 4.905 4.027 5.494 . 0 0 "[ . 1 . 2]" 1
205 1 171 LEU H 1 171 LEU MD2 3.990 . 4.590 2.557 1.826 3.503 . 0 0 "[ . 1 . 2]" 1
206 1 168 LEU H 1 171 LEU MD1 5.050 . 5.810 5.129 4.688 5.682 . 0 0 "[ . 1 . 2]" 1
207 1 49 PHE HZ 1 57 LEU MD1 4.890 . 5.620 4.190 3.643 5.337 . 0 0 "[ . 1 . 2]" 1
208 1 44 PHE HE2 1 57 LEU MD1 3.640 . 4.190 3.683 3.111 4.243 0.053 11 0 "[ . 1 . 2]" 1
209 1 44 PHE HE2 1 57 LEU MD2 3.370 . 3.880 2.515 2.034 3.583 . 0 0 "[ . 1 . 2]" 1
210 1 75 TYR HD2 1 98 LEU QD 4.240 . 4.880 4.335 3.146 4.750 . 0 0 "[ . 1 . 2]" 1
211 1 93 THR MG 1 119 LEU MD2 3.790 . 4.360 3.605 3.152 4.617 0.257 17 0 "[ . 1 . 2]" 1
212 1 129 PHE QD 1 147 ILE MD 3.990 . 4.590 3.317 2.852 3.921 . 0 0 "[ . 1 . 2]" 1
213 1 143 TRP HE3 1 147 ILE MD 3.820 . 4.390 2.940 2.001 4.107 . 0 0 "[ . 1 . 2]" 1
214 1 143 TRP HD1 1 147 ILE MD 5.500 . 6.330 5.989 5.332 6.609 0.279 3 0 "[ . 1 . 2]" 1
215 1 129 PHE QE 1 147 ILE MD 4.160 . 4.600 3.652 2.920 4.381 . 0 0 "[ . 1 . 2]" 1
216 1 128 GLU H 1 147 ILE MD 5.500 . 6.330 4.756 4.180 5.310 . 0 0 "[ . 1 . 2]" 1
217 1 21 HIS HE1 1 47 VAL MG1 4.280 . 4.920 4.362 3.548 4.977 0.057 18 0 "[ . 1 . 2]" 1
218 1 47 VAL MG1 1 49 PHE HD1 4.050 . 4.660 2.789 2.484 3.172 . 0 0 "[ . 1 . 2]" 1
219 1 32 THR MG 1 158 VAL MG2 3.870 . 4.450 3.971 2.133 4.554 0.104 14 0 "[ . 1 . 2]" 1
220 1 80 ILE MD 1 133 ILE MD 4.000 . 4.600 4.153 3.602 4.788 0.188 7 0 "[ . 1 . 2]" 1
221 1 114 VAL MG2 1 119 LEU MD1 4.010 . 4.610 2.929 2.265 3.908 . 0 0 "[ . 1 . 2]" 1
222 1 114 VAL MG1 1 118 PHE H 5.170 . 5.950 5.444 4.945 5.874 . 0 0 "[ . 1 . 2]" 1
223 1 139 VAL H 1 139 VAL MG1 3.450 . 3.970 3.228 2.256 4.003 0.033 20 0 "[ . 1 . 2]" 1
224 1 151 ILE MD 1 151 ILE MG 3.320 . 3.820 1.994 1.960 2.027 . 0 0 "[ . 1 . 2]" 1
225 1 151 ILE MG 1 154 LEU MD1 3.760 . 4.320 2.768 2.086 3.325 . 0 0 "[ . 1 . 2]" 1
226 1 151 ILE H 1 151 ILE MG 4.310 . 4.960 2.446 2.137 2.738 . 0 0 "[ . 1 . 2]" 1
227 1 151 ILE MG 1 153 LYS H 5.350 . 6.150 5.212 4.969 5.484 . 0 0 "[ . 1 . 2]" 1
228 1 151 ILE MG 1 152 CYS HA 5.500 . 6.330 5.646 5.580 5.776 . 0 0 "[ . 1 . 2]" 1
229 1 25 ALA MB 1 44 PHE HZ 3.950 . 4.540 2.559 1.839 3.475 . 0 0 "[ . 1 . 2]" 1
230 1 32 THR MG 1 39 MET ME 3.380 . 3.890 3.110 1.820 4.131 0.241 20 0 "[ . 1 . 2]" 1
231 1 39 MET ME 1 158 VAL MG1 3.810 . 4.380 3.567 2.416 4.568 0.188 17 0 "[ . 1 . 2]" 1
232 1 39 MET ME 1 44 PHE HE2 3.830 . 4.400 2.876 2.344 3.485 . 0 0 "[ . 1 . 2]" 1
233 1 39 MET ME 1 43 TYR HD2 3.600 . 4.140 2.051 1.720 2.695 0.080 2 0 "[ . 1 . 2]" 1
234 1 39 MET ME 1 43 TYR HE2 3.540 . 4.070 3.482 2.799 4.021 . 0 0 "[ . 1 . 2]" 1
235 1 125 THR MG 1 126 LEU MD1 4.510 . 5.190 3.972 3.704 4.226 . 0 0 "[ . 1 . 2]" 1
236 1 125 THR MG 1 151 ILE MD 3.970 . 4.570 3.683 2.960 4.484 . 0 0 "[ . 1 . 2]" 1
237 1 125 THR MG 1 147 ILE MG 4.000 . 4.600 3.637 2.519 3.919 . 0 0 "[ . 1 . 2]" 1
238 1 125 THR MG 1 129 PHE QE 4.030 . 4.630 2.917 1.835 3.684 . 0 0 "[ . 1 . 2]" 1
239 1 125 THR MG 1 129 PHE H 4.790 . 5.510 4.813 4.304 5.162 . 0 0 "[ . 1 . 2]" 1
240 1 72 MET H 1 125 THR MG 5.500 . 6.330 5.330 4.792 6.072 . 0 0 "[ . 1 . 2]" 1
241 1 72 MET HA 1 125 THR MG 4.960 . 5.700 4.784 4.200 5.405 . 0 0 "[ . 1 . 2]" 1
242 1 93 THR HA 1 93 THR MG 3.170 . 3.650 2.439 2.354 3.260 . 0 0 "[ . 1 . 2]" 1
243 1 84 VAL HA 1 85 THR MG 3.890 . 4.470 4.030 3.505 4.538 0.068 13 0 "[ . 1 . 2]" 1
244 1 121 VAL MG2 1 155 ASP H 4.260 . 4.900 4.332 3.546 4.951 0.051 17 0 "[ . 1 . 2]" 1
245 1 126 LEU HA 1 126 LEU MD1 4.370 . 5.030 2.132 1.997 2.265 . 0 0 "[ . 1 . 2]" 1
246 1 76 ALA HA 1 126 LEU MD1 4.170 . 4.800 3.128 2.617 3.758 . 0 0 "[ . 1 . 2]" 1
247 1 89 GLU HB2 1 90 LEU MD2 3.920 . 4.510 3.152 2.060 4.145 . 0 0 "[ . 1 . 2]" 1
248 1 89 GLU HB3 1 90 LEU MD2 3.920 . 4.510 2.972 1.975 4.418 . 0 0 "[ . 1 . 2]" 1
249 1 76 ALA MB 1 133 ILE MD 3.420 . 3.930 2.491 1.843 2.918 . 0 0 "[ . 1 . 2]" 1
250 1 122 ALA MB 1 125 THR MG 3.550 . 4.080 3.582 3.304 4.189 0.109 11 0 "[ . 1 . 2]" 1
251 1 119 LEU HA 1 122 ALA MB 3.760 . 4.320 2.234 1.986 2.669 . 0 0 "[ . 1 . 2]" 1
252 1 121 VAL MG1 1 122 ALA MB 3.730 . 4.290 3.980 3.603 4.266 . 0 0 "[ . 1 . 2]" 1
253 1 121 VAL MG2 1 124 ILE MD 3.770 . 4.340 4.349 3.700 4.589 0.249 8 0 "[ . 1 . 2]" 1
254 1 87 THR HA 1 126 LEU MD2 4.210 . 4.840 3.139 2.674 3.717 . 0 0 "[ . 1 . 2]" 1
255 1 98 LEU QD 1 102 LEU QD . . 3.340 2.031 1.862 2.188 . 0 0 "[ . 1 . 2]" 1
256 1 72 MET H 1 126 LEU MD1 4.710 . 5.420 4.894 4.457 5.450 0.030 9 0 "[ . 1 . 2]" 1
257 1 139 VAL MG2 1 140 ASP H 3.580 . 4.120 3.432 1.785 4.339 0.219 20 0 "[ . 1 . 2]" 1
258 1 54 THR MG 1 58 ILE HB 4.100 . 4.720 4.029 3.073 4.695 . 0 0 "[ . 1 . 2]" 1
259 1 49 PHE HA 1 54 THR MG 4.400 . 5.060 4.050 3.386 5.038 . 0 0 "[ . 1 . 2]" 1
260 1 124 ILE MG 1 154 LEU MD1 3.110 . 3.580 2.652 2.010 3.530 . 0 0 "[ . 1 . 2]" 1
261 1 28 MET ME 1 39 MET ME 3.330 . 3.830 3.103 1.986 3.918 0.088 10 0 "[ . 1 . 2]" 1
262 1 39 MET ME 1 40 LEU H 4.090 . 4.700 4.387 3.236 4.988 0.288 17 0 "[ . 1 . 2]" 1
263 1 54 THR MG 1 58 ILE MG 4.320 . 4.970 4.466 3.592 5.027 0.057 5 0 "[ . 1 . 2]" 1
264 1 22 LEU MD1 1 57 LEU HA 4.830 . 5.550 5.063 4.576 5.555 0.005 3 0 "[ . 1 . 2]" 1
265 1 22 LEU MD1 1 57 LEU MD2 5.500 . 6.330 5.280 4.036 6.506 0.176 20 0 "[ . 1 . 2]" 1
266 1 47 VAL MG2 1 49 PHE H 4.690 . 5.390 5.103 4.632 5.626 0.236 10 0 "[ . 1 . 2]" 1
267 1 44 PHE HA 1 47 VAL MG2 4.080 . 4.690 3.305 2.613 3.834 . 0 0 "[ . 1 . 2]" 1
268 1 47 VAL HA 1 47 VAL MG2 3.470 . 3.990 2.439 2.320 2.547 . 0 0 "[ . 1 . 2]" 1
269 1 44 PHE HB2 1 47 VAL MG2 4.520 . 5.200 3.460 2.788 3.891 . 0 0 "[ . 1 . 2]" 1
270 1 44 PHE HB3 1 47 VAL MG2 4.520 . 5.200 2.091 1.777 2.427 0.023 18 0 "[ . 1 . 2]" 1
271 1 47 VAL MG2 1 57 LEU HG 5.120 . 5.890 4.540 3.720 5.768 . 0 0 "[ . 1 . 2]" 1
272 1 157 GLU HA 1 158 VAL MG1 4.540 . 5.220 3.638 3.223 4.102 . 0 0 "[ . 1 . 2]" 1
273 1 32 THR MG 1 158 VAL MG1 4.300 . 4.950 2.344 1.801 3.050 . 0 0 "[ . 1 . 2]" 1
274 1 158 VAL MG2 1 159 PRO HA 4.290 . 4.930 4.313 3.673 4.649 . 0 0 "[ . 1 . 2]" 1
275 1 32 THR HB 1 158 VAL MG2 5.230 . 6.010 5.170 3.962 6.211 0.201 6 0 "[ . 1 . 2]" 1
276 1 43 TYR HA 1 158 VAL MG2 5.450 . 6.270 4.651 3.773 5.857 . 0 0 "[ . 1 . 2]" 1
277 1 158 VAL MG2 1 159 PRO HB2 5.500 . 6.330 5.245 4.411 6.494 0.164 13 0 "[ . 1 . 2]" 1
278 1 158 VAL MG2 1 159 PRO HB3 5.500 . 6.330 5.663 5.161 6.215 . 0 0 "[ . 1 . 2]" 1
279 1 39 MET ME 1 158 VAL MG2 3.950 . 4.540 4.151 3.446 4.766 0.226 13 0 "[ . 1 . 2]" 1
280 1 113 GLU H 1 114 VAL MG2 4.460 . 5.130 5.011 3.701 5.457 0.327 14 0 "[ . 1 . 2]" 1
281 1 113 GLU HA 1 114 VAL MG2 3.900 . 4.490 3.693 3.204 4.292 . 0 0 "[ . 1 . 2]" 1
282 1 113 GLU H 1 114 VAL MG1 5.500 . 6.330 4.837 4.068 5.601 . 0 0 "[ . 1 . 2]" 1
283 1 114 VAL MG1 1 118 PHE HA 5.100 . 5.870 5.369 4.464 5.934 0.064 19 0 "[ . 1 . 2]" 1
284 1 90 LEU HA 1 90 LEU MD1 4.350 . 5.000 4.127 3.877 4.246 . 0 0 "[ . 1 . 2]" 1
285 1 87 THR HA 1 90 LEU MD1 3.980 . 4.580 2.665 2.021 3.379 . 0 0 "[ . 1 . 2]" 1
286 1 25 ALA MB 1 57 LEU MD1 4.510 . 5.190 4.262 3.547 4.807 . 0 0 "[ . 1 . 2]" 1
287 1 47 VAL HB 1 57 LEU MD1 4.810 . 5.530 3.691 3.191 4.270 . 0 0 "[ . 1 . 2]" 1
288 1 47 VAL MG1 1 57 LEU MD1 3.300 . 3.800 2.277 1.911 2.932 . 0 0 "[ . 1 . 2]" 1
289 1 161 ILE HB 1 168 LEU MD1 4.340 . 4.990 3.538 2.884 4.974 . 0 0 "[ . 1 . 2]" 1
290 1 57 LEU MD2 1 61 PHE HA 5.400 . 6.210 5.055 4.944 5.324 . 0 0 "[ . 1 . 2]" 1
291 1 25 ALA MB 1 57 LEU MD2 3.630 . 4.170 3.170 2.291 4.113 . 0 0 "[ . 1 . 2]" 1
292 1 39 MET ME 1 57 LEU MD2 4.450 . 5.120 4.426 3.973 4.997 . 0 0 "[ . 1 . 2]" 1
293 1 17 LEU MD1 1 25 ALA MB 5.250 . 6.040 4.743 3.691 5.905 . 0 0 "[ . 1 . 2]" 1
294 1 85 THR H 1 90 LEU MD2 5.420 . 6.230 4.993 3.991 5.898 . 0 0 "[ . 1 . 2]" 1
295 1 90 LEU HA 1 90 LEU MD2 3.500 . 4.030 3.126 2.301 4.046 0.016 15 0 "[ . 1 . 2]" 1
296 1 79 ALA HA 1 90 LEU MD2 4.230 . 4.860 3.617 2.829 4.888 0.028 10 0 "[ . 1 . 2]" 1
297 1 87 THR HB 1 90 LEU MD2 4.400 . 5.060 4.717 3.948 5.438 0.378 16 0 "[ . 1 . 2]" 1
298 1 44 PHE HA 1 47 VAL MG1 5.500 . 6.330 5.515 4.920 6.366 0.036 18 0 "[ . 1 . 2]" 1
299 1 47 VAL MG1 1 49 PHE HA 4.140 . 4.760 2.557 2.256 2.989 . 0 0 "[ . 1 . 2]" 1
300 1 41 LYS HA 1 47 VAL MG1 5.500 . 6.330 6.182 5.636 6.501 0.171 17 0 "[ . 1 . 2]" 1
301 1 44 PHE HB2 1 47 VAL MG1 5.350 . 6.150 4.331 4.040 4.691 . 0 0 "[ . 1 . 2]" 1
302 1 44 PHE HB3 1 47 VAL MG1 5.350 . 6.150 3.590 3.095 4.339 . 0 0 "[ . 1 . 2]" 1
303 1 47 VAL MG1 1 53 ILE HB 4.700 . 5.400 4.126 3.078 5.116 . 0 0 "[ . 1 . 2]" 1
304 1 114 VAL H 1 119 LEU MD2 5.500 . 6.330 5.088 3.763 5.842 . 0 0 "[ . 1 . 2]" 1
305 1 119 LEU MD2 1 120 GLU H 4.360 . 5.010 4.058 3.897 4.247 . 0 0 "[ . 1 . 2]" 1
306 1 93 THR HA 1 119 LEU MD2 3.950 . 4.540 4.273 3.892 4.576 0.036 16 0 "[ . 1 . 2]" 1
307 1 118 PHE HA 1 119 LEU MD2 5.030 . 5.780 4.552 4.350 4.877 . 0 0 "[ . 1 . 2]" 1
308 1 119 LEU HA 1 119 LEU MD2 3.480 . 4.000 3.106 2.878 3.358 . 0 0 "[ . 1 . 2]" 1
309 1 114 VAL HA 1 119 LEU MD2 4.540 . 5.220 4.232 3.644 4.594 . 0 0 "[ . 1 . 2]" 1
310 1 119 LEU HB2 1 119 LEU MD2 3.390 . 3.900 2.339 2.272 2.384 . 0 0 "[ . 1 . 2]" 1
311 1 91 SER HA 1 98 LEU QD 4.070 . 4.680 2.215 1.760 3.408 0.040 7 0 "[ . 1 . 2]" 1
312 1 168 LEU HA 1 171 LEU MD2 3.310 . 3.810 2.698 1.817 3.160 . 0 0 "[ . 1 . 2]" 1
313 1 72 MET ME 1 98 LEU QD 3.430 . 3.940 2.933 2.144 3.667 . 0 0 "[ . 1 . 2]" 1
314 1 168 LEU HB2 1 171 LEU MD2 3.700 . 4.260 3.669 2.181 4.420 0.160 10 0 "[ . 1 . 2]" 1
315 1 84 VAL H 1 84 VAL MG1 3.840 . 4.420 3.826 3.786 3.971 . 0 0 "[ . 1 . 2]" 1
316 1 172 LEU H 1 172 LEU MD1 5.000 . 5.750 3.221 2.000 4.334 . 0 0 "[ . 1 . 2]" 1
317 1 84 VAL MG1 1 85 THR HA 4.230 . 4.860 4.199 3.766 4.567 . 0 0 "[ . 1 . 2]" 1
318 1 172 LEU HA 1 172 LEU MD1 3.250 . 3.740 2.606 2.061 3.787 0.047 5 0 "[ . 1 . 2]" 1
319 1 84 VAL HA 1 84 VAL MG1 3.430 . 3.940 2.457 2.371 2.527 . 0 0 "[ . 1 . 2]" 1
320 1 84 VAL MG1 1 89 GLU HB2 3.860 . 4.440 2.993 2.072 3.866 . 0 0 "[ . 1 . 2]" 1
321 1 172 LEU HB2 1 172 LEU MD1 3.220 . 3.700 2.756 2.372 3.270 . 0 0 "[ . 1 . 2]" 1
322 1 172 LEU HB3 1 172 LEU MD1 3.220 . 3.700 2.970 2.391 3.274 . 0 0 "[ . 1 . 2]" 1
323 1 84 VAL MG1 1 85 THR MG 4.700 . 5.400 4.528 3.837 4.871 . 0 0 "[ . 1 . 2]" 1
324 1 168 LEU MD1 1 172 LEU MD1 4.290 . 4.930 4.316 2.565 5.176 0.246 16 0 "[ . 1 . 2]" 1
325 1 119 LEU MD1 1 122 ALA HA 5.500 . 6.330 5.559 4.897 6.126 . 0 0 "[ . 1 . 2]" 1
326 1 169 GLN HA 1 172 LEU MD2 4.080 . 4.690 2.901 1.600 4.248 0.200 11 0 "[ . 1 . 2]" 1
327 1 119 LEU HA 1 119 LEU MD1 3.510 . 4.040 2.032 1.939 2.161 . 0 0 "[ . 1 . 2]" 1
328 1 172 LEU HB2 1 172 LEU MD2 3.140 . 3.610 2.453 2.254 2.591 . 0 0 "[ . 1 . 2]" 1
329 1 172 LEU HB3 1 172 LEU MD2 3.140 . 3.610 2.684 2.282 3.270 . 0 0 "[ . 1 . 2]" 1
330 1 75 TYR H 1 126 LEU MD2 5.500 . 6.330 5.691 4.950 6.195 . 0 0 "[ . 1 . 2]" 1
331 1 168 LEU H 1 168 LEU MD2 4.360 . 5.010 4.185 3.939 4.404 . 0 0 "[ . 1 . 2]" 1
332 1 161 ILE HB 1 168 LEU MD2 4.260 . 4.900 4.066 3.504 4.953 0.053 20 0 "[ . 1 . 2]" 1
333 1 161 ILE HG13 1 168 LEU MD2 4.580 . 5.270 5.251 4.376 5.507 0.237 9 0 "[ . 1 . 2]" 1
334 1 121 VAL MG1 1 125 THR MG 4.090 . 4.700 3.075 2.352 3.899 . 0 0 "[ . 1 . 2]" 1
335 1 161 ILE MG 1 167 CYS HA 4.940 . 5.680 4.747 4.066 5.774 0.094 18 0 "[ . 1 . 2]" 1
336 1 161 ILE HG12 1 161 ILE MG 3.480 . 4.000 2.542 2.459 2.624 . 0 0 "[ . 1 . 2]" 1
337 1 161 ILE HG13 1 161 ILE MG 3.370 . 3.880 3.247 3.234 3.269 . 0 0 "[ . 1 . 2]" 1
338 1 161 ILE MG 1 168 LEU MD1 4.040 . 4.650 2.831 1.828 4.655 0.005 15 0 "[ . 1 . 2]" 1
339 1 130 PHE HB2 1 134 ILE MG 5.090 . 5.850 5.201 4.538 5.512 . 0 0 "[ . 1 . 2]" 1
340 1 130 PHE HB3 1 134 ILE MG 5.090 . 5.850 4.645 3.942 5.420 . 0 0 "[ . 1 . 2]" 1
341 1 131 ASN HB2 1 134 ILE MG 4.800 . 5.520 4.123 4.006 4.232 . 0 0 "[ . 1 . 2]" 1
342 1 131 ASN HB3 1 134 ILE MG 4.800 . 5.520 4.479 4.377 4.582 . 0 0 "[ . 1 . 2]" 1
343 1 134 ILE MG 1 135 ALA MB 3.520 . 4.050 3.168 2.795 3.428 . 0 0 "[ . 1 . 2]" 1
344 1 129 PHE HA 1 147 ILE MG 4.260 . 4.900 4.838 3.999 5.175 0.275 12 0 "[ . 1 . 2]" 1
345 1 70 ILE HA 1 70 ILE MG 3.450 . 3.970 2.740 2.436 3.266 . 0 0 "[ . 1 . 2]" 1
346 1 147 ILE MG 1 151 ILE MG 3.800 . 4.370 2.791 2.514 3.163 . 0 0 "[ . 1 . 2]" 1
347 1 147 ILE MG 1 148 TYR HE1 4.860 . 5.590 4.017 3.116 5.012 . 0 0 "[ . 1 . 2]" 1
348 1 92 ILE HA 1 92 ILE MG 3.500 . 4.030 2.826 2.490 3.273 . 0 0 "[ . 1 . 2]" 1
349 1 91 SER HB2 1 126 LEU MD1 5.250 . 6.040 4.051 3.107 5.361 . 0 0 "[ . 1 . 2]" 1
350 1 91 SER HB3 1 126 LEU MD1 5.250 . 6.040 3.898 2.552 5.550 . 0 0 "[ . 1 . 2]" 1
351 1 54 THR MG 1 57 LEU HB3 4.300 . 4.950 3.637 2.914 4.462 . 0 0 "[ . 1 . 2]" 1
352 1 54 THR MG 1 57 LEU MD1 4.600 . 5.290 3.824 3.068 5.134 . 0 0 "[ . 1 . 2]" 1
353 1 82 ASP HA 1 84 VAL MG2 4.850 . 5.580 4.695 4.397 5.116 . 0 0 "[ . 1 . 2]" 1
354 1 79 ALA HA 1 84 VAL MG2 3.680 . 4.230 2.606 2.079 3.126 . 0 0 "[ . 1 . 2]" 1
355 1 79 ALA MB 1 85 THR MG 5.500 . 6.330 4.906 3.495 6.248 . 0 0 "[ . 1 . 2]" 1
356 1 93 THR MG 1 119 LEU MD1 4.140 . 4.760 3.543 2.918 4.022 . 0 0 "[ . 1 . 2]" 1
357 1 91 SER HA 1 102 LEU QD 5.030 . 5.780 4.821 4.095 5.566 . 0 0 "[ . 1 . 2]" 1
358 1 102 LEU HA 1 102 LEU QD 3.920 . 4.510 2.097 2.005 2.221 . 0 0 "[ . 1 . 2]" 1
359 1 121 VAL HA 1 151 ILE MG 4.930 . 5.670 3.104 2.530 3.784 . 0 0 "[ . 1 . 2]" 1
360 1 12 ALA MB 1 13 MET ME 4.180 . 4.810 4.161 2.668 5.108 0.298 12 0 "[ . 1 . 2]" 1
361 1 28 MET ME 1 158 VAL HB 4.200 . 4.830 3.667 2.270 4.931 0.101 2 0 "[ . 1 . 2]" 1
362 1 28 MET ME 1 158 VAL MG2 3.200 . 3.680 2.447 1.953 3.754 0.074 4 0 "[ . 1 . 2]" 1
363 1 28 MET ME 1 158 VAL MG1 3.770 . 4.340 3.353 2.249 4.385 0.045 12 0 "[ . 1 . 2]" 1
364 1 76 ALA MB 1 79 ALA H 5.080 . 5.840 4.592 4.365 4.750 . 0 0 "[ . 1 . 2]" 1
365 1 76 ALA MB 1 80 ILE H 5.500 . 6.330 4.688 4.494 4.908 . 0 0 "[ . 1 . 2]" 1
366 1 73 GLU H 1 76 ALA MB 4.890 . 5.620 4.725 4.419 5.045 . 0 0 "[ . 1 . 2]" 1
367 1 76 ALA MB 1 143 TRP HH2 5.090 . 5.850 5.142 4.135 5.947 0.097 13 0 "[ . 1 . 2]" 1
368 1 76 ALA MB 1 130 PHE HA 3.720 . 4.280 2.263 1.894 2.692 . 0 0 "[ . 1 . 2]" 1
369 1 76 ALA MB 1 90 LEU MD1 4.250 . 4.890 4.016 3.383 4.944 0.054 10 0 "[ . 1 . 2]" 1
370 1 76 ALA MB 1 147 ILE MD 5.500 . 6.330 5.755 5.242 6.447 0.117 9 0 "[ . 1 . 2]" 1
371 1 87 THR MG 1 125 THR MG 5.500 . 6.330 6.177 5.746 6.486 0.156 1 0 "[ . 1 . 2]" 1
372 1 39 MET ME 1 42 THR HB 5.370 . 6.180 5.718 5.246 6.158 . 0 0 "[ . 1 . 2]" 1
373 1 119 LEU HB3 1 122 ALA MB 4.290 . 4.930 3.952 3.628 4.639 . 0 0 "[ . 1 . 2]" 1
374 1 130 PHE HA 1 133 ILE MD 4.020 . 4.620 3.521 2.370 4.192 . 0 0 "[ . 1 . 2]" 1
375 1 73 GLU HA 1 133 ILE MD 4.770 . 5.490 3.736 2.821 4.591 . 0 0 "[ . 1 . 2]" 1
376 1 133 ILE HA 1 133 ILE MD 3.850 . 4.430 3.155 2.610 3.932 . 0 0 "[ . 1 . 2]" 1
377 1 58 ILE MG 1 60 TRP H 5.160 . 5.930 5.232 5.097 5.430 . 0 0 "[ . 1 . 2]" 1
378 1 124 ILE MG 1 128 GLU HA 5.500 . 6.330 5.211 4.936 5.430 . 0 0 "[ . 1 . 2]" 1
379 1 171 LEU H 1 171 LEU MD1 4.210 . 4.840 3.811 3.236 3.982 . 0 0 "[ . 1 . 2]" 1
380 1 169 GLN H 1 171 LEU MD1 5.500 . 6.330 5.582 5.170 6.116 . 0 0 "[ . 1 . 2]" 1
381 1 168 LEU HA 1 171 LEU MD1 3.820 . 4.390 3.100 2.563 3.844 . 0 0 "[ . 1 . 2]" 1
382 1 168 LEU HB3 1 171 LEU MD1 3.700 . 4.260 3.801 3.309 4.297 0.037 1 0 "[ . 1 . 2]" 1
383 1 137 LYS H 1 139 VAL MG2 4.910 . 5.650 4.206 2.880 5.355 . 0 0 "[ . 1 . 2]" 1
384 1 139 VAL HA 1 139 VAL MG2 3.300 . 3.800 2.929 2.447 3.281 . 0 0 "[ . 1 . 2]" 1
385 1 133 ILE HA 1 139 VAL MG2 4.580 . 5.270 5.293 4.591 5.934 0.664 15 1 "[ . 1 + 2]" 1
386 1 148 TYR HA 1 151 ILE MD 4.770 . 5.490 2.152 1.969 2.291 . 0 0 "[ . 1 . 2]" 1
387 1 151 ILE MD 1 152 CYS HA 5.300 . 6.100 5.303 4.337 5.616 . 0 0 "[ . 1 . 2]" 1
388 1 147 ILE HA 1 151 ILE MD 4.570 . 5.260 4.243 3.907 4.463 . 0 0 "[ . 1 . 2]" 1
389 1 76 ALA HA 1 80 ILE MD 4.780 . 5.500 3.948 3.035 4.871 . 0 0 "[ . 1 . 2]" 1
390 1 80 ILE HA 1 80 ILE MD 3.630 . 4.170 2.512 2.073 2.882 . 0 0 "[ . 1 . 2]" 1
391 1 80 ILE MD 1 130 PHE HA 3.880 . 4.460 2.708 2.294 3.379 . 0 0 "[ . 1 . 2]" 1
392 1 80 ILE MD 1 130 PHE HB2 4.450 . 5.120 3.864 2.136 4.476 . 0 0 "[ . 1 . 2]" 1
393 1 80 ILE MD 1 130 PHE HB3 4.450 . 5.120 4.337 2.872 5.112 . 0 0 "[ . 1 . 2]" 1
394 1 76 ALA MB 1 80 ILE MD 3.920 . 4.510 3.519 2.902 4.285 . 0 0 "[ . 1 . 2]" 1
395 1 80 ILE MD 1 134 ILE HB 3.760 . 4.320 2.151 1.758 2.807 0.042 14 0 "[ . 1 . 2]" 1
396 1 134 ILE MD 1 136 GLY H 5.030 . 5.780 5.211 4.964 5.928 0.148 6 0 "[ . 1 . 2]" 1
397 1 132 ALA H 1 134 ILE MD 5.500 . 6.330 6.699 6.517 6.940 0.610 8 1 "[ . + 1 . 2]" 1
398 1 92 ILE HA 1 92 ILE MD 4.190 . 4.820 2.112 1.941 2.587 . 0 0 "[ . 1 . 2]" 1
399 1 134 ILE MD 1 135 ALA HA 3.690 . 4.240 3.323 2.790 4.422 0.182 6 0 "[ . 1 . 2]" 1
400 1 92 ILE MD 1 124 ILE H 5.470 . 6.290 4.816 4.463 5.153 . 0 0 "[ . 1 . 2]" 1
401 1 92 ILE MD 1 122 ALA HA 5.160 . 5.930 5.522 5.040 5.871 . 0 0 "[ . 1 . 2]" 1
402 1 87 THR HA 1 92 ILE MD 4.740 . 5.450 4.407 3.863 4.826 . 0 0 "[ . 1 . 2]" 1
403 1 92 ILE HB 1 92 ILE MD 3.580 . 4.120 2.889 2.353 3.294 . 0 0 "[ . 1 . 2]" 1
404 1 161 ILE MD 1 162 PHE H 4.940 . 5.680 4.529 3.697 5.370 . 0 0 "[ . 1 . 2]" 1
405 1 161 ILE HA 1 161 ILE MD 3.730 . 4.290 3.886 3.813 3.978 . 0 0 "[ . 1 . 2]" 1
406 1 70 ILE HA 1 70 ILE MD 3.710 . 4.270 2.495 2.004 3.918 . 0 0 "[ . 1 . 2]" 1
407 1 161 ILE MD 1 168 LEU HA 3.960 . 4.550 2.893 2.222 3.993 . 0 0 "[ . 1 . 2]" 1
408 1 161 ILE MD 1 167 CYS HB2 4.420 . 5.080 4.004 2.068 5.151 0.071 13 0 "[ . 1 . 2]" 1
409 1 161 ILE MD 1 167 CYS HB3 4.420 . 5.080 2.760 1.949 3.857 . 0 0 "[ . 1 . 2]" 1
410 1 161 ILE MD 1 171 LEU HG 4.360 . 5.010 4.065 2.957 5.138 0.128 7 0 "[ . 1 . 2]" 1
411 1 80 ILE MG 1 135 ALA H 5.500 . 6.330 5.944 5.394 6.459 0.129 13 0 "[ . 1 . 2]" 1
412 1 80 ILE MG 1 83 GLY HA2 5.120 . 5.890 5.090 4.680 5.625 . 0 0 "[ . 1 . 2]" 1
413 1 80 ILE HA 1 80 ILE MG 3.360 . 3.860 2.629 2.428 2.773 . 0 0 "[ . 1 . 2]" 1
414 1 79 ALA MB 1 80 ILE MG 5.030 . 5.780 5.003 4.823 5.137 . 0 0 "[ . 1 . 2]" 1
415 1 80 ILE MG 1 133 ILE HB 4.430 . 5.090 4.113 3.530 5.096 0.006 13 0 "[ . 1 . 2]" 1
416 1 80 ILE MG 1 134 ILE HB 4.290 . 4.930 3.794 2.950 4.344 . 0 0 "[ . 1 . 2]" 1
417 1 132 ALA H 1 133 ILE MG 5.500 . 6.330 6.003 5.824 6.166 . 0 0 "[ . 1 . 2]" 1
418 1 77 ARG HA 1 133 ILE MG 4.090 . 4.700 2.690 1.879 3.412 . 0 0 "[ . 1 . 2]" 1
419 1 76 ALA MB 1 133 ILE MG 4.000 . 4.600 4.166 3.615 4.693 0.093 3 0 "[ . 1 . 2]" 1
420 1 147 ILE MD 1 149 LYS H 5.500 . 6.330 5.729 5.428 6.403 0.073 11 0 "[ . 1 . 2]" 1
421 1 129 PHE HA 1 147 ILE MD 3.560 . 4.090 2.962 2.338 3.807 . 0 0 "[ . 1 . 2]" 1
422 1 147 ILE HA 1 147 ILE MD 3.940 . 4.530 2.550 2.185 3.942 . 0 0 "[ . 1 . 2]" 1
423 1 147 ILE MD 1 151 ILE MD 4.970 . 5.720 5.056 4.530 5.430 . 0 0 "[ . 1 . 2]" 1
424 1 154 LEU HA 1 154 LEU MD1 4.240 . 4.880 3.921 3.830 3.976 . 0 0 "[ . 1 . 2]" 1
425 1 150 VAL HB 1 154 LEU MD1 4.940 . 5.680 4.797 3.763 5.649 . 0 0 "[ . 1 . 2]" 1
426 1 13 MET ME 1 14 GLN H 5.410 . 6.220 4.976 3.011 6.107 . 0 0 "[ . 1 . 2]" 1
427 1 72 MET ME 1 91 SER HA 4.660 . 5.360 4.890 4.350 5.541 0.181 6 0 "[ . 1 . 2]" 1
428 1 71 GLN HA 1 72 MET ME 4.920 . 5.660 5.408 4.127 5.831 0.171 14 0 "[ . 1 . 2]" 1
429 1 72 MET ME 1 91 SER HB2 4.840 . 5.570 3.323 2.346 3.891 . 0 0 "[ . 1 . 2]" 1
430 1 72 MET ME 1 91 SER HB3 4.840 . 5.570 3.195 2.222 4.072 . 0 0 "[ . 1 . 2]" 1
431 1 58 ILE MG 1 59 LYS H 4.790 . 5.510 3.610 3.406 3.835 . 0 0 "[ . 1 . 2]" 1
432 1 137 LYS HA 1 139 VAL MG2 3.530 . 4.060 3.336 1.960 4.133 0.073 13 0 "[ . 1 . 2]" 1
433 1 57 LEU H 1 57 LEU MD1 4.660 . 5.360 4.192 4.148 4.250 . 0 0 "[ . 1 . 2]" 1
434 1 91 SER H 1 92 ILE MD 4.470 . 5.140 4.325 3.011 5.334 0.194 10 0 "[ . 1 . 2]" 1
435 1 92 ILE MD 1 127 ARG H 4.880 . 5.610 4.060 2.616 5.099 . 0 0 "[ . 1 . 2]" 1
436 1 92 ILE MD 1 93 THR H 4.260 . 4.900 3.557 3.033 4.477 . 0 0 "[ . 1 . 2]" 1
437 1 84 VAL MG1 1 89 GLU HB3 3.860 . 4.440 3.082 2.037 4.111 . 0 0 "[ . 1 . 2]" 1
438 1 28 MET ME 1 43 TYR HD2 3.480 . 4.000 2.964 1.921 3.653 . 0 0 "[ . 1 . 2]" 1
439 1 132 ALA HA 1 133 ILE MD 5.500 . 6.330 5.073 4.315 6.520 0.190 19 0 "[ . 1 . 2]" 1
440 1 134 ILE H 1 135 ALA H 3.570 . 4.110 2.752 2.657 2.821 . 0 0 "[ . 1 . 2]" 1
441 1 98 LEU H 1 99 TYR H 4.030 . 4.630 2.647 2.479 2.876 . 0 0 "[ . 1 . 2]" 1
442 1 101 ALA H 1 102 LEU QD 5.420 . 6.230 4.772 4.390 4.955 . 0 0 "[ . 1 . 2]" 1
443 1 130 PHE H 1 130 PHE HB2 4.180 . 4.810 2.612 2.341 3.582 . 0 0 "[ . 1 . 2]" 1
444 1 102 LEU H 1 103 ASN H 4.180 . 4.810 2.812 2.580 3.057 . 0 0 "[ . 1 . 2]" 1
445 1 46 ASP H 1 47 VAL H 3.350 . 3.850 2.509 2.101 2.915 . 0 0 "[ . 1 . 2]" 1
446 1 70 ILE H 1 71 GLN H 3.990 . 4.590 2.746 2.598 2.922 . 0 0 "[ . 1 . 2]" 1
447 1 74 LYS H 1 75 TYR H 3.900 . 4.490 2.627 2.427 2.769 . 0 0 "[ . 1 . 2]" 1
448 1 73 GLU H 1 74 LYS H 3.740 . 4.300 2.760 2.586 2.962 . 0 0 "[ . 1 . 2]" 1
449 1 77 ARG H 1 78 GLN H 3.640 . 4.190 2.604 2.463 2.749 . 0 0 "[ . 1 . 2]" 1
450 1 78 GLN H 1 79 ALA H 3.410 . 3.920 2.614 2.468 2.755 . 0 0 "[ . 1 . 2]" 1
451 1 75 TYR HD1 1 78 GLN H 5.360 . 6.160 5.514 5.021 6.064 . 0 0 "[ . 1 . 2]" 1
452 1 126 LEU H 1 128 GLU H 4.460 . 5.130 4.106 3.963 4.330 . 0 0 "[ . 1 . 2]" 1
453 1 77 ARG H 1 79 ALA H 4.280 . 4.920 4.009 3.748 4.146 . 0 0 "[ . 1 . 2]" 1
454 1 132 ALA H 1 133 ILE H 3.530 . 4.060 2.725 2.505 2.858 . 0 0 "[ . 1 . 2]" 1
455 1 132 ALA H 1 135 ALA H 4.630 . 5.320 4.612 4.446 4.775 . 0 0 "[ . 1 . 2]" 1
456 1 130 PHE H 1 132 ALA H 4.590 . 5.280 4.140 3.823 4.402 . 0 0 "[ . 1 . 2]" 1
457 1 133 ILE H 1 135 ALA H 4.240 . 4.880 4.094 3.790 4.341 . 0 0 "[ . 1 . 2]" 1
458 1 133 ILE H 1 134 ILE H 3.600 . 4.140 2.704 2.564 2.933 . 0 0 "[ . 1 . 2]" 1
459 1 80 ILE H 1 81 ASN H 3.500 . 4.030 2.730 2.529 2.905 . 0 0 "[ . 1 . 2]" 1
460 1 75 TYR H 1 76 ALA H 3.820 . 4.390 2.679 2.537 2.870 . 0 0 "[ . 1 . 2]" 1
461 1 73 GLU H 1 76 ALA H 5.410 . 6.220 4.803 4.634 4.957 . 0 0 "[ . 1 . 2]" 1
462 1 75 TYR HD1 1 76 ALA H 5.500 . 6.330 5.085 4.878 5.217 . 0 0 "[ . 1 . 2]" 1
463 1 76 ALA H 1 77 ARG H 3.520 . 4.050 2.722 2.558 2.943 . 0 0 "[ . 1 . 2]" 1
464 1 72 MET H 1 73 GLU H 3.810 . 4.380 2.697 2.595 2.906 . 0 0 "[ . 1 . 2]" 1
465 1 71 GLN H 1 72 MET H 3.930 . 4.520 2.710 2.543 2.812 . 0 0 "[ . 1 . 2]" 1
466 1 69 TYR H 1 70 ILE H 4.230 . 4.860 2.787 2.634 2.945 . 0 0 "[ . 1 . 2]" 1
467 1 68 TYR H 1 69 TYR H 4.170 . 4.800 2.779 2.597 2.936 . 0 0 "[ . 1 . 2]" 1
468 1 160 GLU H 1 161 ILE H 3.840 . 4.420 2.848 2.166 4.327 . 0 0 "[ . 1 . 2]" 1
469 1 108 LYS H 1 109 ALA H 3.340 . 3.840 2.892 1.897 4.185 0.345 8 0 "[ . 1 . 2]" 1
470 1 148 TYR H 1 149 LYS H 3.800 . 4.370 2.784 2.617 3.003 . 0 0 "[ . 1 . 2]" 1
471 1 149 LYS H 1 150 VAL H 3.740 . 4.300 2.748 2.574 2.908 . 0 0 "[ . 1 . 2]" 1
472 1 147 ILE H 1 149 LYS H 4.310 . 4.960 4.125 3.857 4.351 . 0 0 "[ . 1 . 2]" 1
473 1 135 ALA H 1 136 GLY H 3.410 . 3.920 2.649 2.439 2.844 . 0 0 "[ . 1 . 2]" 1
474 1 63 ASN H 1 64 PHE H 4.100 . 4.720 2.701 2.412 2.950 . 0 0 "[ . 1 . 2]" 1
475 1 64 PHE H 1 66 GLU H 4.660 . 5.360 4.195 3.840 4.490 . 0 0 "[ . 1 . 2]" 1
476 1 84 VAL H 1 85 THR H 4.610 . 5.300 3.738 2.684 4.603 . 0 0 "[ . 1 . 2]" 1
477 1 83 GLY H 1 84 VAL H 3.240 . 3.730 2.280 2.168 2.510 . 0 0 "[ . 1 . 2]" 1
478 1 84 VAL H 1 84 VAL MG2 2.980 . 3.430 2.039 1.904 2.798 . 0 0 "[ . 1 . 2]" 1
479 1 79 ALA MB 1 84 VAL H 3.910 . 4.500 4.020 3.360 4.338 . 0 0 "[ . 1 . 2]" 1
480 1 82 ASP HB3 1 84 VAL H 3.880 . 4.460 2.901 2.635 4.328 . 0 0 "[ . 1 . 2]" 1
481 1 70 ILE H 1 70 ILE MD 3.530 . 4.060 3.088 2.244 3.884 . 0 0 "[ . 1 . 2]" 1
482 1 70 ILE H 1 70 ILE MG 3.900 . 4.490 3.639 2.519 3.842 . 0 0 "[ . 1 . 2]" 1
483 1 58 ILE H 1 60 TRP H 4.800 . 5.520 4.245 4.013 4.559 . 0 0 "[ . 1 . 2]" 1
484 1 58 ILE H 1 59 LYS H 3.990 . 4.590 2.634 2.484 2.803 . 0 0 "[ . 1 . 2]" 1
485 1 66 GLU H 1 67 PHE H 3.660 . 4.210 2.667 2.446 2.824 . 0 0 "[ . 1 . 2]" 1
486 1 118 PHE H 1 119 LEU H 3.570 . 4.110 2.615 2.348 2.799 . 0 0 "[ . 1 . 2]" 1
487 1 170 GLU H 1 171 LEU H 3.300 . 3.800 2.658 2.470 2.833 . 0 0 "[ . 1 . 2]" 1
488 1 60 TRP H 1 60 TRP HE1 4.190 . 4.820 4.639 4.302 4.892 0.072 2 0 "[ . 1 . 2]" 1
489 1 39 MET H 1 40 LEU H 3.930 . 4.520 2.789 2.618 2.932 . 0 0 "[ . 1 . 2]" 1
490 1 38 ASN H 1 40 LEU H 4.280 . 4.920 3.901 3.627 4.207 . 0 0 "[ . 1 . 2]" 1
491 1 147 ILE H 1 147 ILE MD 3.810 . 4.380 2.724 2.188 3.477 . 0 0 "[ . 1 . 2]" 1
492 1 146 ALA H 1 147 ILE MD 5.290 . 6.080 4.637 3.968 5.502 . 0 0 "[ . 1 . 2]" 1
493 1 22 LEU MD1 1 60 TRP HE1 4.000 . 4.600 3.783 2.927 4.529 . 0 0 "[ . 1 . 2]" 1
494 1 22 LEU MD2 1 60 TRP HE1 4.070 . 4.680 3.149 2.556 3.790 . 0 0 "[ . 1 . 2]" 1
495 1 17 LEU MD1 1 60 TRP HE1 4.490 . 5.160 5.082 3.871 5.333 0.173 20 0 "[ . 1 . 2]" 1
496 1 59 LYS H 1 60 TRP H 4.120 . 4.740 2.748 2.577 2.957 . 0 0 "[ . 1 . 2]" 1
497 1 143 TRP H 1 143 TRP HE1 5.230 . 6.010 4.899 4.433 6.077 0.067 19 0 "[ . 1 . 2]" 1
498 1 94 ARG H 1 95 ASP H 3.730 . 4.290 2.841 1.752 3.949 0.048 4 0 "[ . 1 . 2]" 1
499 1 167 CYS H 1 169 GLN H 3.970 . 4.570 4.124 3.520 4.520 . 0 0 "[ . 1 . 2]" 1
500 1 166 ASN H 1 167 CYS H 3.670 . 4.220 2.718 1.946 3.340 . 0 0 "[ . 1 . 2]" 1
501 1 167 CYS H 1 168 LEU H 3.960 . 4.550 2.495 1.733 2.919 0.067 10 0 "[ . 1 . 2]" 1
502 1 93 THR H 1 94 ARG H 5.220 . 6.000 4.301 3.856 4.657 . 0 0 "[ . 1 . 2]" 1
503 1 15 GLU H 1 16 GLY H 4.180 . 4.810 3.723 1.845 4.512 . 0 0 "[ . 1 . 2]" 1
504 1 92 ILE H 1 93 THR H 4.470 . 5.140 4.440 4.313 4.573 . 0 0 "[ . 1 . 2]" 1
505 1 91 SER H 1 92 ILE H 4.070 . 4.680 3.502 1.778 4.395 0.022 4 0 "[ . 1 . 2]" 1
506 1 90 LEU H 1 91 SER H 3.620 . 4.160 2.786 1.951 4.240 0.080 17 0 "[ . 1 . 2]" 1
507 1 88 GLU H 1 89 GLU H 3.530 . 4.060 2.795 2.563 2.920 . 0 0 "[ . 1 . 2]" 1
508 1 87 THR H 1 88 GLU H 4.000 . 4.600 2.570 2.388 2.699 . 0 0 "[ . 1 . 2]" 1
509 1 151 ILE H 1 152 CYS H 4.120 . 4.740 2.420 2.285 2.541 . 0 0 "[ . 1 . 2]" 1
510 1 85 THR H 1 86 SER H 3.150 . 3.620 2.500 1.786 3.012 0.014 10 0 "[ . 1 . 2]" 1
511 1 86 SER H 1 87 THR H 4.220 . 4.850 4.096 3.885 4.403 . 0 0 "[ . 1 . 2]" 1
512 1 86 SER H 1 89 GLU H 5.500 . 6.330 5.225 4.764 5.679 . 0 0 "[ . 1 . 2]" 1
513 1 169 GLN H 1 172 LEU H 5.500 . 6.330 5.141 4.642 5.534 . 0 0 "[ . 1 . 2]" 1
514 1 82 ASP H 1 83 GLY H 3.300 . 3.800 2.404 2.151 2.541 . 0 0 "[ . 1 . 2]" 1
515 1 82 ASP H 1 84 VAL H 3.930 . 4.520 3.925 3.666 4.517 . 0 0 "[ . 1 . 2]" 1
516 1 101 ALA H 1 102 LEU H 3.860 . 4.440 2.736 2.601 2.862 . 0 0 "[ . 1 . 2]" 1
517 1 101 ALA MB 1 102 LEU H 3.520 . 4.050 2.257 2.113 2.485 . 0 0 "[ . 1 . 2]" 1
518 1 102 LEU H 1 102 LEU QD 3.920 . 4.510 2.929 2.526 3.107 . 0 0 "[ . 1 . 2]" 1
519 1 98 LEU QD 1 102 LEU H 4.200 . 4.830 3.490 3.066 4.063 . 0 0 "[ . 1 . 2]" 1
520 1 122 ALA MB 1 123 GLN H 3.500 . 4.030 2.489 2.320 2.745 . 0 0 "[ . 1 . 2]" 1
521 1 119 LEU HA 1 123 GLN H 4.290 . 4.930 3.818 3.557 4.068 . 0 0 "[ . 1 . 2]" 1
522 1 121 VAL H 1 122 ALA H 3.670 . 4.220 2.803 2.682 2.977 . 0 0 "[ . 1 . 2]" 1
523 1 122 ALA H 1 123 GLN H 3.950 . 4.540 2.820 2.678 2.928 . 0 0 "[ . 1 . 2]" 1
524 1 121 VAL H 1 121 VAL MG2 3.510 . 4.040 2.328 2.139 2.526 . 0 0 "[ . 1 . 2]" 1
525 1 121 VAL H 1 121 VAL MG1 3.590 . 4.130 3.783 3.724 3.833 . 0 0 "[ . 1 . 2]" 1
526 1 79 ALA H 1 80 ILE MD 4.390 . 5.050 4.503 4.034 5.159 0.109 18 0 "[ . 1 . 2]" 1
527 1 60 TRP H 1 62 SER H 4.160 . 4.780 4.004 3.727 4.252 . 0 0 "[ . 1 . 2]" 1
528 1 130 PHE H 1 131 ASN H 3.730 . 4.290 2.855 2.681 3.091 . 0 0 "[ . 1 . 2]" 1
529 1 131 ASN H 1 132 ALA H 3.670 . 4.220 2.723 2.661 2.805 . 0 0 "[ . 1 . 2]" 1
530 1 62 SER H 1 63 ASN H 4.110 . 4.730 2.439 2.282 2.726 . 0 0 "[ . 1 . 2]" 1
531 1 129 PHE H 1 130 PHE H 4.010 . 4.610 2.796 2.509 3.005 . 0 0 "[ . 1 . 2]" 1
532 1 128 GLU H 1 129 PHE H 3.870 . 4.450 2.611 2.476 2.774 . 0 0 "[ . 1 . 2]" 1
533 1 126 LEU H 1 127 ARG H 4.230 . 4.860 2.708 2.571 2.839 . 0 0 "[ . 1 . 2]" 1
534 1 127 ARG H 1 128 GLU H 4.020 . 4.620 2.767 2.653 2.889 . 0 0 "[ . 1 . 2]" 1
535 1 125 THR H 1 126 LEU H 4.260 . 4.900 2.688 2.520 2.875 . 0 0 "[ . 1 . 2]" 1
536 1 123 GLN H 1 124 ILE H 3.990 . 4.590 2.730 2.572 2.852 . 0 0 "[ . 1 . 2]" 1
537 1 124 ILE H 1 125 THR H 3.950 . 4.540 2.635 2.532 2.838 . 0 0 "[ . 1 . 2]" 1
538 1 155 ASP H 1 156 SER H 4.710 . 5.420 4.294 3.501 4.657 . 0 0 "[ . 1 . 2]" 1
539 1 153 LYS H 1 154 LEU H 3.520 . 4.050 2.602 2.230 3.474 . 0 0 "[ . 1 . 2]" 1
540 1 152 CYS H 1 153 LYS H 3.710 . 4.270 2.509 2.345 2.606 . 0 0 "[ . 1 . 2]" 1
541 1 152 CYS H 1 154 LEU H 4.350 . 5.000 4.142 3.823 5.038 0.038 20 0 "[ . 1 . 2]" 1
542 1 150 VAL H 1 152 CYS H 4.180 . 4.810 4.076 3.904 4.281 . 0 0 "[ . 1 . 2]" 1
543 1 161 ILE H 1 162 PHE H 4.480 . 5.150 4.175 3.804 4.527 . 0 0 "[ . 1 . 2]" 1
544 1 150 VAL H 1 151 ILE H 3.670 . 4.220 2.697 2.565 2.880 . 0 0 "[ . 1 . 2]" 1
545 1 61 PHE H 1 62 SER H 3.970 . 4.570 2.748 2.619 2.882 . 0 0 "[ . 1 . 2]" 1
546 1 60 TRP H 1 61 PHE H 3.730 . 4.290 2.790 2.697 2.904 . 0 0 "[ . 1 . 2]" 1
547 1 172 LEU H 1 173 HIS H 4.470 . 5.140 3.992 3.387 4.366 . 0 0 "[ . 1 . 2]" 1
548 1 171 LEU H 1 172 LEU H 3.330 . 3.830 2.471 2.153 2.690 . 0 0 "[ . 1 . 2]" 1
549 1 157 GLU H 1 158 VAL H 4.580 . 5.270 4.419 4.125 4.698 . 0 0 "[ . 1 . 2]" 1
550 1 163 LYS H 1 164 SER H 3.550 . 4.080 2.740 2.534 2.978 . 0 0 "[ . 1 . 2]" 1
551 1 168 LEU H 1 169 GLN H 3.480 . 4.000 2.661 2.476 2.847 . 0 0 "[ . 1 . 2]" 1
552 1 169 GLN H 1 170 GLU H 3.180 . 3.660 2.759 2.625 2.961 . 0 0 "[ . 1 . 2]" 1
553 1 156 SER H 1 157 GLU H 4.460 . 5.130 3.413 2.248 4.453 . 0 0 "[ . 1 . 2]" 1
554 1 117 ARG H 1 118 PHE H 4.110 . 4.730 2.934 2.756 3.121 . 0 0 "[ . 1 . 2]" 1
555 1 162 PHE H 1 163 LYS H 3.330 . 3.830 2.418 2.234 2.736 . 0 0 "[ . 1 . 2]" 1
556 1 162 PHE H 1 164 SER H 4.430 . 5.090 4.433 4.071 4.693 . 0 0 "[ . 1 . 2]" 1
557 1 140 ASP H 1 143 TRP H 5.460 . 6.280 5.127 3.801 5.906 . 0 0 "[ . 1 . 2]" 1
558 1 142 SER H 1 143 TRP H 3.530 . 4.060 2.711 2.091 3.035 . 0 0 "[ . 1 . 2]" 1
559 1 142 SER H 1 143 TRP HD1 4.620 . 5.310 4.049 2.806 5.045 . 0 0 "[ . 1 . 2]" 1
560 1 136 GLY H 1 137 LYS H 3.440 . 3.960 2.012 1.701 2.318 0.099 7 0 "[ . 1 . 2]" 1
561 1 134 ILE H 1 136 GLY H 4.920 . 5.660 4.088 3.890 4.692 . 0 0 "[ . 1 . 2]" 1
562 1 135 ALA H 1 137 LYS H 4.400 . 5.060 3.988 3.672 4.466 . 0 0 "[ . 1 . 2]" 1
563 1 108 LYS H 1 110 ASN H 3.860 . 4.440 4.138 3.046 4.657 0.217 17 0 "[ . 1 . 2]" 1
564 1 111 ASP H 1 112 PHE H 3.150 . 3.620 2.753 2.059 3.650 0.030 1 0 "[ . 1 . 2]" 1
565 1 113 GLU H 1 114 VAL H 4.040 . 4.650 2.962 2.040 4.105 . 0 0 "[ . 1 . 2]" 1
566 1 104 MET H 1 107 ASN H 5.110 . 5.880 4.948 4.526 5.144 . 0 0 "[ . 1 . 2]" 1
567 1 107 ASN H 1 108 LYS H 4.490 . 5.160 3.922 2.012 4.471 . 0 0 "[ . 1 . 2]" 1
568 1 106 TYR H 1 107 ASN H 3.460 . 3.980 2.524 2.278 2.930 . 0 0 "[ . 1 . 2]" 1
569 1 169 GLN H 1 171 LEU H 4.390 . 5.050 4.271 4.076 4.508 . 0 0 "[ . 1 . 2]" 1
570 1 104 MET H 1 106 TYR H 4.630 . 5.320 4.551 4.274 4.814 . 0 0 "[ . 1 . 2]" 1
571 1 103 ASN H 1 104 MET H 4.000 . 4.600 2.865 2.738 3.039 . 0 0 "[ . 1 . 2]" 1
572 1 105 HIS H 1 107 ASN H 4.320 . 4.970 4.056 3.541 4.547 . 0 0 "[ . 1 . 2]" 1
573 1 104 MET H 1 105 HIS H 3.770 . 4.340 2.744 2.582 2.916 . 0 0 "[ . 1 . 2]" 1
574 1 97 GLU H 1 98 LEU H 4.380 . 5.040 2.851 2.594 3.096 . 0 0 "[ . 1 . 2]" 1
575 1 98 LEU H 1 99 TYR HD1 5.400 . 6.210 3.720 3.122 4.253 . 0 0 "[ . 1 . 2]" 1
576 1 65 ARG H 1 66 GLU H 3.870 . 4.450 2.722 2.567 2.852 . 0 0 "[ . 1 . 2]" 1
577 1 64 PHE H 1 65 ARG H 3.770 . 4.340 2.741 2.496 2.949 . 0 0 "[ . 1 . 2]" 1
578 1 49 PHE H 1 50 ASN H 4.340 . 4.990 3.457 2.334 4.579 . 0 0 "[ . 1 . 2]" 1
579 1 47 VAL H 1 48 LYS H 4.580 . 5.270 4.209 2.593 4.572 . 0 0 "[ . 1 . 2]" 1
580 1 45 SER H 1 47 VAL H 4.260 . 4.900 4.147 3.676 4.419 . 0 0 "[ . 1 . 2]" 1
581 1 47 VAL H 1 49 PHE HE2 4.460 . 5.130 5.091 4.386 5.347 0.217 7 0 "[ . 1 . 2]" 1
582 1 48 LYS H 1 49 PHE H 4.230 . 4.860 3.124 2.380 4.096 . 0 0 "[ . 1 . 2]" 1
583 1 49 PHE H 1 49 PHE HD1 4.710 . 5.420 4.252 3.826 4.614 . 0 0 "[ . 1 . 2]" 1
584 1 49 PHE H 1 49 PHE HD2 5.020 . 5.770 3.709 2.250 4.878 . 0 0 "[ . 1 . 2]" 1
585 1 17 LEU MD2 1 18 SER H 4.590 . 5.280 4.269 3.583 5.195 . 0 0 "[ . 1 . 2]" 1
586 1 45 SER H 1 46 ASP H 3.620 . 4.160 2.588 2.072 2.981 . 0 0 "[ . 1 . 2]" 1
587 1 44 PHE HD1 1 45 SER H 4.660 . 5.360 4.687 4.098 5.321 . 0 0 "[ . 1 . 2]" 1
588 1 44 PHE H 1 44 PHE HD1 4.850 . 5.580 4.165 3.648 4.545 . 0 0 "[ . 1 . 2]" 1
589 1 42 THR H 1 44 PHE H 4.500 . 5.180 4.050 3.683 4.448 . 0 0 "[ . 1 . 2]" 1
590 1 44 PHE H 1 49 PHE HZ 4.450 . 5.120 3.922 3.407 4.524 . 0 0 "[ . 1 . 2]" 1
591 1 41 LYS H 1 42 THR H 3.380 . 3.890 2.684 2.557 2.906 . 0 0 "[ . 1 . 2]" 1
592 1 40 LEU H 1 41 LYS H 3.940 . 4.530 2.756 2.679 2.886 . 0 0 "[ . 1 . 2]" 1
593 1 41 LYS H 1 44 PHE H 5.500 . 6.330 4.916 4.792 5.020 . 0 0 "[ . 1 . 2]" 1
594 1 33 ARG H 1 34 TYR H 4.600 . 5.290 3.436 1.874 4.561 . 0 0 "[ . 1 . 2]" 1
595 1 32 THR HB 1 33 ARG H 4.890 . 5.620 3.241 2.067 4.416 . 0 0 "[ . 1 . 2]" 1
596 1 55 SER H 1 57 LEU H 4.810 . 5.530 4.108 3.846 4.295 . 0 0 "[ . 1 . 2]" 1
597 1 57 LEU MD2 1 58 ILE H 4.230 . 4.860 3.759 3.281 4.047 . 0 0 "[ . 1 . 2]" 1
598 1 22 LEU MD1 1 60 TRP H 4.730 . 5.440 4.958 4.514 5.623 0.183 3 0 "[ . 1 . 2]" 1
599 1 22 LEU MD2 1 60 TRP H 5.110 . 5.880 6.030 5.849 6.164 0.284 9 0 "[ . 1 . 2]" 1
600 1 150 VAL H 1 150 VAL MG1 3.000 . 3.450 2.111 2.019 2.204 . 0 0 "[ . 1 . 2]" 1
601 1 125 THR MG 1 126 LEU H 3.550 . 4.080 2.223 2.050 2.929 . 0 0 "[ . 1 . 2]" 1
602 1 126 LEU H 1 126 LEU MD1 3.790 . 4.360 4.112 3.986 4.213 . 0 0 "[ . 1 . 2]" 1
603 1 126 LEU H 1 126 LEU MD2 4.390 . 5.050 4.316 4.179 4.391 . 0 0 "[ . 1 . 2]" 1
604 1 124 ILE MG 1 125 THR H 3.570 . 4.110 3.525 3.137 3.812 . 0 0 "[ . 1 . 2]" 1
605 1 122 ALA MB 1 125 THR H 5.310 . 6.110 4.846 4.518 5.139 . 0 0 "[ . 1 . 2]" 1
606 1 125 THR H 1 125 THR MG 3.790 . 4.360 2.640 2.196 3.739 . 0 0 "[ . 1 . 2]" 1
607 1 124 ILE HB 1 125 THR H 4.070 . 4.680 2.881 2.570 3.144 . 0 0 "[ . 1 . 2]" 1
608 1 114 VAL H 1 114 VAL MG2 3.300 . 3.800 2.989 1.852 3.781 . 0 0 "[ . 1 . 2]" 1
609 1 114 VAL H 1 114 VAL MG1 3.820 . 4.390 2.762 2.004 3.884 . 0 0 "[ . 1 . 2]" 1
610 1 60 TRP HA 1 60 TRP HE1 5.300 . 6.100 4.925 4.717 5.144 . 0 0 "[ . 1 . 2]" 1
611 1 44 PHE HA 1 46 ASP H 4.010 . 4.610 3.200 2.806 3.824 . 0 0 "[ . 1 . 2]" 1
612 1 45 SER HB2 1 46 ASP H 4.820 . 5.540 3.603 2.673 4.303 . 0 0 "[ . 1 . 2]" 1
613 1 45 SER HB3 1 46 ASP H 4.820 . 5.540 3.795 2.794 4.381 . 0 0 "[ . 1 . 2]" 1
614 1 46 ASP H 1 47 VAL HB 4.570 . 5.260 4.743 4.296 5.156 . 0 0 "[ . 1 . 2]" 1
615 1 46 ASP H 1 47 VAL MG2 4.150 . 4.770 3.727 3.203 4.398 . 0 0 "[ . 1 . 2]" 1
616 1 46 ASP H 1 47 VAL MG1 5.500 . 6.330 5.804 5.481 6.177 . 0 0 "[ . 1 . 2]" 1
617 1 156 SER H 1 156 SER HB2 3.880 . 4.460 3.018 2.423 3.857 . 0 0 "[ . 1 . 2]" 1
618 1 156 SER H 1 156 SER HB3 3.880 . 4.460 3.411 2.476 3.925 . 0 0 "[ . 1 . 2]" 1
619 1 101 ALA MB 1 103 ASN H 4.440 . 5.110 4.443 4.233 4.651 . 0 0 "[ . 1 . 2]" 1
620 1 102 LEU QD 1 103 ASN H 4.640 . 5.340 4.181 4.034 4.342 . 0 0 "[ . 1 . 2]" 1
621 1 84 VAL HA 1 85 THR H 3.230 . 3.710 2.785 2.137 3.564 . 0 0 "[ . 1 . 2]" 1
622 1 85 THR H 1 85 THR MG 3.460 . 3.980 2.893 2.008 3.892 . 0 0 "[ . 1 . 2]" 1
623 1 84 VAL MG1 1 85 THR H 3.220 . 3.700 2.969 2.394 3.549 . 0 0 "[ . 1 . 2]" 1
624 1 142 SER H 1 142 SER HB2 3.520 . 4.050 2.814 2.484 3.602 . 0 0 "[ . 1 . 2]" 1
625 1 142 SER H 1 142 SER HB3 3.520 . 4.050 3.253 2.509 3.707 . 0 0 "[ . 1 . 2]" 1
626 1 141 PRO HB3 1 142 SER H 4.150 . 4.770 4.097 3.363 4.523 . 0 0 "[ . 1 . 2]" 1
627 1 141 PRO HB2 1 142 SER H 3.300 . 3.800 2.989 1.733 3.861 0.067 18 0 "[ . 1 . 2]" 1
628 1 115 PRO HA 1 117 ARG H 4.720 . 5.430 4.559 4.184 4.968 . 0 0 "[ . 1 . 2]" 1
629 1 115 PRO HB2 1 117 ARG H 3.650 . 4.200 3.082 2.626 3.519 . 0 0 "[ . 1 . 2]" 1
630 1 93 THR HB 1 94 ARG H 4.440 . 5.110 4.109 2.501 4.471 . 0 0 "[ . 1 . 2]" 1
631 1 93 THR MG 1 94 ARG H 3.540 . 4.070 3.078 1.676 3.823 0.124 18 0 "[ . 1 . 2]" 1
632 1 94 ARG H 1 119 LEU MD1 4.520 . 5.200 3.571 2.108 5.237 0.037 18 0 "[ . 1 . 2]" 1
633 1 94 ARG H 1 119 LEU MD2 4.800 . 5.520 5.039 4.167 5.702 0.182 9 0 "[ . 1 . 2]" 1
634 1 91 SER HA 1 98 LEU H 5.500 . 6.330 5.168 2.021 6.356 0.026 20 0 "[ . 1 . 2]" 1
635 1 98 LEU H 1 101 ALA MB 4.690 . 5.390 4.485 4.209 4.865 . 0 0 "[ . 1 . 2]" 1
636 1 98 LEU H 1 98 LEU HG 4.520 . 5.200 4.546 4.467 4.630 . 0 0 "[ . 1 . 2]" 1
637 1 38 ASN H 1 39 MET H 3.960 . 4.550 2.832 2.650 2.945 . 0 0 "[ . 1 . 2]" 1
638 1 108 LYS HA 1 110 ASN H 4.900 . 5.640 4.086 3.145 4.942 . 0 0 "[ . 1 . 2]" 1
639 1 110 ASN H 1 110 ASN HB2 4.150 . 4.770 2.987 2.420 3.956 . 0 0 "[ . 1 . 2]" 1
640 1 110 ASN H 1 110 ASN HB3 4.150 . 4.770 2.982 2.412 4.090 . 0 0 "[ . 1 . 2]" 1
641 1 109 ALA MB 1 110 ASN H 3.760 . 4.320 3.400 2.287 3.826 . 0 0 "[ . 1 . 2]" 1
642 1 110 ASN HA 1 111 ASP H 3.320 . 3.820 2.587 2.089 3.572 . 0 0 "[ . 1 . 2]" 1
643 1 109 ALA HA 1 111 ASP H 5.090 . 5.850 4.681 2.837 5.748 . 0 0 "[ . 1 . 2]" 1
644 1 111 ASP H 1 111 ASP HB2 3.720 . 4.280 2.676 2.425 3.605 . 0 0 "[ . 1 . 2]" 1
645 1 111 ASP H 1 111 ASP HB3 3.720 . 4.280 2.672 2.280 3.660 . 0 0 "[ . 1 . 2]" 1
646 1 109 ALA MB 1 111 ASP H 4.280 . 4.920 4.394 3.390 5.092 0.172 3 0 "[ . 1 . 2]" 1
647 1 101 ALA HA 1 104 MET H 4.210 . 4.840 3.793 3.490 4.132 . 0 0 "[ . 1 . 2]" 1
648 1 101 ALA MB 1 104 MET H 5.130 . 5.900 4.840 4.638 5.061 . 0 0 "[ . 1 . 2]" 1
649 1 137 LYS H 1 138 ASP H 3.340 . 3.840 2.668 2.199 3.844 0.004 7 0 "[ . 1 . 2]" 1
650 1 136 GLY H 1 138 ASP H 3.960 . 4.550 3.934 3.515 4.941 0.391 7 0 "[ . 1 . 2]" 1
651 1 138 ASP H 1 139 VAL H 3.300 . 3.800 3.109 2.593 4.062 0.262 19 0 "[ . 1 . 2]" 1
652 1 133 ILE HA 1 138 ASP H 4.270 . 4.910 3.592 2.363 5.118 0.208 16 0 "[ . 1 . 2]" 1
653 1 138 ASP H 1 138 ASP HB2 3.670 . 4.220 3.190 2.464 3.689 . 0 0 "[ . 1 . 2]" 1
654 1 138 ASP H 1 139 VAL MG2 4.070 . 4.680 3.723 3.307 4.510 . 0 0 "[ . 1 . 2]" 1
655 1 138 ASP H 1 138 ASP HB3 3.670 . 4.220 2.867 2.442 3.665 . 0 0 "[ . 1 . 2]" 1
656 1 109 ALA H 1 109 ALA MB 2.900 . 3.340 2.505 2.220 3.162 . 0 0 "[ . 1 . 2]" 1
657 1 90 LEU HB2 1 91 SER H 4.200 . 4.830 2.652 1.690 3.849 0.110 11 0 "[ . 1 . 2]" 1
658 1 90 LEU HB3 1 91 SER H 4.200 . 4.830 3.746 2.555 4.344 . 0 0 "[ . 1 . 2]" 1
659 1 91 SER H 1 126 LEU MD1 4.790 . 5.510 4.802 3.568 5.582 0.072 2 0 "[ . 1 . 2]" 1
660 1 91 SER H 1 126 LEU MD2 3.540 . 4.070 2.851 1.929 3.779 . 0 0 "[ . 1 . 2]" 1
661 1 90 LEU MD1 1 91 SER H 3.830 . 4.400 3.587 2.319 4.359 . 0 0 "[ . 1 . 2]" 1
662 1 99 TYR H 1 100 ARG H 3.980 . 4.580 2.679 2.514 2.893 . 0 0 "[ . 1 . 2]" 1
663 1 86 SER HA 1 88 GLU H 4.040 . 4.650 3.524 3.242 3.951 . 0 0 "[ . 1 . 2]" 1
664 1 87 THR HB 1 88 GLU H 4.030 . 4.630 3.911 3.023 4.079 . 0 0 "[ . 1 . 2]" 1
665 1 88 GLU H 1 88 GLU HB2 3.760 . 4.320 2.989 2.372 3.637 . 0 0 "[ . 1 . 2]" 1
666 1 88 GLU H 1 88 GLU HB3 3.760 . 4.320 3.074 2.522 3.612 . 0 0 "[ . 1 . 2]" 1
667 1 87 THR MG 1 88 GLU H 4.450 . 5.120 4.142 4.019 4.368 . 0 0 "[ . 1 . 2]" 1
668 1 161 ILE HG12 1 162 PHE H 3.980 . 4.580 3.172 1.977 4.440 . 0 0 "[ . 1 . 2]" 1
669 1 161 ILE MG 1 162 PHE H 3.650 . 4.200 3.812 2.944 4.269 0.069 2 0 "[ . 1 . 2]" 1
670 1 88 GLU H 1 90 LEU MD2 4.390 . 5.050 4.646 4.025 5.188 0.138 13 0 "[ . 1 . 2]" 1
671 1 166 ASN HA 1 168 LEU H 4.390 . 5.050 3.899 3.307 4.759 . 0 0 "[ . 1 . 2]" 1
672 1 167 CYS HB2 1 168 LEU H 3.930 . 4.520 3.958 2.510 4.285 . 0 0 "[ . 1 . 2]" 1
673 1 167 CYS HB3 1 168 LEU H 3.930 . 4.520 3.044 2.695 3.971 . 0 0 "[ . 1 . 2]" 1
674 1 160 GLU HB2 1 161 ILE H 4.310 . 4.960 3.283 2.059 4.553 . 0 0 "[ . 1 . 2]" 1
675 1 160 GLU HB3 1 161 ILE H 4.310 . 4.960 3.645 2.544 4.428 . 0 0 "[ . 1 . 2]" 1
676 1 168 LEU H 1 168 LEU HB3 3.080 . 3.540 2.351 2.015 2.547 . 0 0 "[ . 1 . 2]" 1
677 1 168 LEU H 1 168 LEU HB2 3.670 . 4.220 3.550 3.006 3.687 . 0 0 "[ . 1 . 2]" 1
678 1 161 ILE MD 1 168 LEU H 3.220 . 3.700 2.995 2.376 3.601 . 0 0 "[ . 1 . 2]" 1
679 1 168 LEU H 1 168 LEU MD1 4.050 . 4.660 2.396 2.032 3.478 . 0 0 "[ . 1 . 2]" 1
680 1 161 ILE H 1 161 ILE HB 3.150 . 3.620 3.158 2.578 3.561 . 0 0 "[ . 1 . 2]" 1
681 1 161 ILE H 1 161 ILE HG12 4.700 . 5.400 4.487 4.140 4.739 . 0 0 "[ . 1 . 2]" 1
682 1 161 ILE H 1 161 ILE HG13 5.050 . 5.810 4.517 3.118 4.957 . 0 0 "[ . 1 . 2]" 1
683 1 161 ILE HG13 1 168 LEU H 5.500 . 6.330 5.250 4.428 6.134 . 0 0 "[ . 1 . 2]" 1
684 1 161 ILE MG 1 168 LEU H 3.100 . 3.570 2.515 1.742 3.672 0.102 15 0 "[ . 1 . 2]" 1
685 1 13 MET H 1 14 GLN H 4.310 . 4.960 3.525 1.878 4.532 . 0 0 "[ . 1 . 2]" 1
686 1 12 ALA MB 1 14 GLN H 4.930 . 5.670 4.146 2.292 5.359 . 0 0 "[ . 1 . 2]" 1
687 1 91 SER HA 1 92 ILE H 2.790 . 3.210 2.401 2.155 3.152 . 0 0 "[ . 1 . 2]" 1
688 1 14 GLN HA 1 15 GLU H 2.700 . 3.110 2.402 2.084 3.496 0.386 4 0 "[ . 1 . 2]" 1
689 1 92 ILE H 1 98 LEU QD 3.540 . 4.070 2.686 1.894 3.529 . 0 0 "[ . 1 . 2]" 1
690 1 115 PRO HA 1 116 GLU H 3.340 . 3.840 2.437 2.202 2.689 . 0 0 "[ . 1 . 2]" 1
691 1 115 PRO HB2 1 116 GLU H 3.280 . 3.770 2.926 2.070 3.830 0.060 13 0 "[ . 1 . 2]" 1
692 1 115 PRO HB3 1 116 GLU H 3.590 . 4.130 3.093 2.629 3.522 . 0 0 "[ . 1 . 2]" 1
693 1 48 LYS HA 1 49 PHE H 3.540 . 4.070 2.974 2.113 3.512 . 0 0 "[ . 1 . 2]" 1
694 1 47 VAL HB 1 49 PHE H 4.490 . 5.160 4.448 4.087 4.683 . 0 0 "[ . 1 . 2]" 1
695 1 47 VAL MG1 1 49 PHE H 3.940 . 4.530 2.669 2.030 3.371 . 0 0 "[ . 1 . 2]" 1
696 1 157 GLU HA 1 158 VAL H 3.120 . 3.590 2.446 2.121 3.581 . 0 0 "[ . 1 . 2]" 1
697 1 157 GLU HB2 1 158 VAL H 4.440 . 5.110 3.022 2.030 4.475 . 0 0 "[ . 1 . 2]" 1
698 1 157 GLU HB3 1 158 VAL H 4.440 . 5.110 3.629 2.063 4.293 . 0 0 "[ . 1 . 2]" 1
699 1 158 VAL H 1 158 VAL HB 3.980 . 4.580 3.747 3.593 3.915 . 0 0 "[ . 1 . 2]" 1
700 1 158 VAL H 1 158 VAL MG2 3.370 . 3.880 2.201 2.031 2.438 . 0 0 "[ . 1 . 2]" 1
701 1 158 VAL H 1 158 VAL MG1 3.980 . 4.580 2.552 2.079 3.436 . 0 0 "[ . 1 . 2]" 1
702 1 47 VAL HA 1 48 LYS H 3.220 . 3.700 2.319 2.132 3.608 . 0 0 "[ . 1 . 2]" 1
703 1 47 VAL HB 1 48 LYS H 4.450 . 5.120 4.187 2.630 4.498 . 0 0 "[ . 1 . 2]" 1
704 1 48 LYS H 1 48 LYS HB2 3.790 . 4.360 2.801 2.370 3.684 . 0 0 "[ . 1 . 2]" 1
705 1 48 LYS H 1 48 LYS HB3 3.790 . 4.360 3.267 2.266 4.147 . 0 0 "[ . 1 . 2]" 1
706 1 47 VAL MG2 1 48 LYS H 4.010 . 4.610 4.174 3.943 4.389 . 0 0 "[ . 1 . 2]" 1
707 1 47 VAL MG1 1 48 LYS H 3.320 . 3.820 3.111 2.671 3.514 . 0 0 "[ . 1 . 2]" 1
708 1 12 ALA H 1 12 ALA MB 2.820 . 3.240 2.409 2.244 2.910 . 0 0 "[ . 1 . 2]" 1
709 1 141 PRO HA 1 143 TRP H 4.150 . 4.770 3.997 3.141 4.845 0.075 4 0 "[ . 1 . 2]" 1
710 1 142 SER HB2 1 143 TRP H 5.040 . 5.800 3.695 2.568 4.339 . 0 0 "[ . 1 . 2]" 1
711 1 142 SER HB3 1 143 TRP H 5.040 . 5.800 4.226 3.297 4.554 . 0 0 "[ . 1 . 2]" 1
712 1 141 PRO HB2 1 143 TRP H 4.850 . 5.580 4.908 3.959 5.767 0.187 4 0 "[ . 1 . 2]" 1
713 1 57 LEU HB3 1 58 ILE H 4.160 . 4.780 2.521 2.333 2.703 . 0 0 "[ . 1 . 2]" 1
714 1 79 ALA HA 1 84 VAL H 3.730 . 4.290 3.194 2.961 3.492 . 0 0 "[ . 1 . 2]" 1
715 1 84 VAL H 1 85 THR MG 4.860 . 5.590 4.544 3.567 5.784 0.194 9 0 "[ . 1 . 2]" 1
716 1 172 LEU HA 1 173 HIS H 2.580 . 2.970 2.283 2.164 2.404 . 0 0 "[ . 1 . 2]" 1
717 1 41 LYS HA 1 44 PHE H 4.540 . 5.220 4.337 3.905 4.577 . 0 0 "[ . 1 . 2]" 1
718 1 44 PHE H 1 47 VAL MG2 5.150 . 5.920 5.073 4.791 5.315 . 0 0 "[ . 1 . 2]" 1
719 1 147 ILE H 1 148 TYR H 3.590 . 4.130 2.770 2.667 2.840 . 0 0 "[ . 1 . 2]" 1
720 1 148 TYR H 1 148 TYR HD1 3.930 . 4.520 3.244 2.529 3.652 . 0 0 "[ . 1 . 2]" 1
721 1 148 TYR H 1 148 TYR HE1 4.820 . 5.540 4.902 4.492 5.203 . 0 0 "[ . 1 . 2]" 1
722 1 145 LYS HA 1 148 TYR H 4.180 . 4.810 3.448 2.962 4.095 . 0 0 "[ . 1 . 2]" 1
723 1 147 ILE HB 1 148 TYR H 3.440 . 3.960 2.567 2.137 2.835 . 0 0 "[ . 1 . 2]" 1
724 1 147 ILE MG 1 148 TYR H 4.020 . 4.620 3.198 2.793 3.684 . 0 0 "[ . 1 . 2]" 1
725 1 146 ALA HA 1 148 TYR H 4.930 . 5.670 4.636 4.449 4.900 . 0 0 "[ . 1 . 2]" 1
726 1 81 ASN H 1 81 ASN HB2 3.570 . 4.110 2.556 2.357 2.664 . 0 0 "[ . 1 . 2]" 1
727 1 81 ASN H 1 81 ASN HB3 3.570 . 4.110 2.525 2.411 2.689 . 0 0 "[ . 1 . 2]" 1
728 1 79 ALA MB 1 81 ASN H 4.930 . 5.670 4.575 4.344 4.854 . 0 0 "[ . 1 . 2]" 1
729 1 80 ILE MG 1 81 ASN H 3.610 . 4.150 3.174 2.739 3.750 . 0 0 "[ . 1 . 2]" 1
730 1 81 ASN H 1 133 ILE MG 5.150 . 5.920 4.722 3.817 5.401 . 0 0 "[ . 1 . 2]" 1
731 1 17 LEU H 1 60 TRP HH2 5.460 . 6.280 4.708 1.830 5.710 . 0 0 "[ . 1 . 2]" 1
732 1 17 LEU H 1 17 LEU MD1 3.690 . 4.240 3.535 1.893 4.373 0.133 17 0 "[ . 1 . 2]" 1
733 1 76 ALA HA 1 78 GLN H 4.700 . 5.400 4.523 4.273 4.857 . 0 0 "[ . 1 . 2]" 1
734 1 98 LEU HA 1 101 ALA H 4.040 . 4.650 3.396 3.016 3.911 . 0 0 "[ . 1 . 2]" 1
735 1 101 ALA H 1 101 ALA MB 3.010 . 3.460 2.267 2.227 2.296 . 0 0 "[ . 1 . 2]" 1
736 1 156 SER HA 1 157 GLU H 3.000 . 3.450 2.930 2.257 3.545 0.095 11 0 "[ . 1 . 2]" 1
737 1 12 ALA MB 1 13 MET H 3.140 . 3.610 2.806 1.888 3.664 0.054 1 0 "[ . 1 . 2]" 1
738 1 80 ILE HA 1 82 ASP H 4.120 . 4.740 4.659 4.103 4.832 0.092 13 0 "[ . 1 . 2]" 1
739 1 82 ASP H 1 82 ASP HB2 3.300 . 3.800 2.641 2.490 2.814 . 0 0 "[ . 1 . 2]" 1
740 1 82 ASP H 1 82 ASP HB3 3.420 . 3.930 2.522 2.385 2.591 . 0 0 "[ . 1 . 2]" 1
741 1 79 ALA MB 1 82 ASP H 4.690 . 5.390 4.930 4.544 5.213 . 0 0 "[ . 1 . 2]" 1
742 1 80 ILE MG 1 82 ASP H 5.340 . 6.140 5.022 4.710 5.474 . 0 0 "[ . 1 . 2]" 1
743 1 38 ASN HA 1 40 LEU H 4.360 . 5.010 4.307 4.068 4.584 . 0 0 "[ . 1 . 2]" 1
744 1 38 ASN HB2 1 40 LEU H 5.500 . 6.330 4.973 4.458 5.841 . 0 0 "[ . 1 . 2]" 1
745 1 38 ASN HB3 1 40 LEU H 5.500 . 6.330 5.160 4.507 5.782 . 0 0 "[ . 1 . 2]" 1
746 1 138 ASP H 1 140 ASP H 5.070 . 5.830 4.776 3.716 5.948 0.118 20 0 "[ . 1 . 2]" 1
747 1 140 ASP H 1 143 TRP HD1 4.970 . 5.720 4.109 2.360 5.561 . 0 0 "[ . 1 . 2]" 1
748 1 139 VAL HA 1 140 ASP H 3.530 . 4.060 3.270 2.325 3.578 . 0 0 "[ . 1 . 2]" 1
749 1 138 ASP HA 1 140 ASP H 3.740 . 4.300 3.537 2.848 4.188 . 0 0 "[ . 1 . 2]" 1
750 1 107 ASN HA 1 108 LYS H 3.260 . 3.750 2.479 2.038 3.565 . 0 0 "[ . 1 . 2]" 1
751 1 44 PHE HA 1 47 VAL H 4.580 . 5.270 3.735 2.913 4.471 . 0 0 "[ . 1 . 2]" 1
752 1 45 SER HA 1 47 VAL H 4.030 . 4.630 4.034 3.699 4.452 . 0 0 "[ . 1 . 2]" 1
753 1 47 VAL H 1 47 VAL HB 3.280 . 3.770 2.517 2.358 2.628 . 0 0 "[ . 1 . 2]" 1
754 1 47 VAL H 1 47 VAL MG2 3.170 . 3.650 2.266 2.029 2.555 . 0 0 "[ . 1 . 2]" 1
755 1 47 VAL H 1 47 VAL MG1 3.970 . 4.570 3.819 3.774 3.863 . 0 0 "[ . 1 . 2]" 1
756 1 39 MET H 1 41 LYS H 5.290 . 6.080 4.699 4.436 4.883 . 0 0 "[ . 1 . 2]" 1
757 1 38 ASN HB2 1 39 MET H 3.960 . 4.550 2.649 2.047 3.729 . 0 0 "[ . 1 . 2]" 1
758 1 38 ASN HB3 1 39 MET H 3.960 . 4.550 2.952 2.113 3.644 . 0 0 "[ . 1 . 2]" 1
759 1 39 MET H 1 39 MET ME 5.440 . 6.260 5.148 4.618 5.862 . 0 0 "[ . 1 . 2]" 1
760 1 110 ASN HA 1 112 PHE H 4.110 . 4.730 3.993 2.924 4.816 0.086 6 0 "[ . 1 . 2]" 1
761 1 79 ALA H 1 79 ALA MB 2.930 . 3.370 2.256 2.232 2.302 . 0 0 "[ . 1 . 2]" 1
762 1 79 ALA H 1 84 VAL MG2 4.810 . 5.530 4.756 4.294 5.309 . 0 0 "[ . 1 . 2]" 1
763 1 153 LYS H 1 155 ASP H 5.040 . 5.800 4.375 3.505 5.640 . 0 0 "[ . 1 . 2]" 1
764 1 152 CYS HA 1 155 ASP H 4.250 . 4.890 3.522 2.608 5.141 0.251 20 0 "[ . 1 . 2]" 1
765 1 154 LEU MD1 1 155 ASP H 4.470 . 5.140 4.547 3.526 5.141 0.001 16 0 "[ . 1 . 2]" 1
766 1 154 LEU MD2 1 155 ASP H 4.450 . 5.120 4.638 4.465 5.098 . 0 0 "[ . 1 . 2]" 1
767 1 58 ILE HB 1 59 LYS H 4.450 . 5.120 2.950 2.725 3.100 . 0 0 "[ . 1 . 2]" 1
768 1 87 THR HB 1 90 LEU H 4.970 . 5.720 4.937 4.597 5.423 . 0 0 "[ . 1 . 2]" 1
769 1 89 GLU HB2 1 90 LEU H 4.210 . 4.840 3.668 3.074 4.184 . 0 0 "[ . 1 . 2]" 1
770 1 89 GLU HB3 1 90 LEU H 4.210 . 4.840 3.585 2.639 4.314 . 0 0 "[ . 1 . 2]" 1
771 1 90 LEU H 1 90 LEU HB2 3.630 . 4.170 3.369 2.738 3.898 . 0 0 "[ . 1 . 2]" 1
772 1 87 THR MG 1 90 LEU H 5.300 . 6.100 5.220 4.220 5.731 . 0 0 "[ . 1 . 2]" 1
773 1 90 LEU H 1 90 LEU HB3 3.630 . 4.170 3.493 2.975 3.717 . 0 0 "[ . 1 . 2]" 1
774 1 90 LEU H 1 126 LEU MD2 3.980 . 4.580 4.041 3.253 4.811 0.231 6 0 "[ . 1 . 2]" 1
775 1 90 LEU H 1 90 LEU MD2 3.580 . 4.120 2.441 1.799 3.399 0.001 17 0 "[ . 1 . 2]" 1
776 1 90 LEU H 1 90 LEU MD1 3.810 . 4.380 3.827 3.122 4.233 . 0 0 "[ . 1 . 2]" 1
777 1 41 LYS H 1 43 TYR H 4.630 . 5.320 4.497 4.266 4.694 . 0 0 "[ . 1 . 2]" 1
778 1 43 TYR H 1 43 TYR HD1 3.920 . 4.510 3.248 2.219 3.781 . 0 0 "[ . 1 . 2]" 1
779 1 80 ILE H 1 81 ASN HB2 5.500 . 6.330 5.116 4.901 5.421 . 0 0 "[ . 1 . 2]" 1
780 1 80 ILE H 1 81 ASN HB3 5.500 . 6.330 4.922 4.599 5.172 . 0 0 "[ . 1 . 2]" 1
781 1 80 ILE H 1 80 ILE MD 3.620 . 4.160 2.610 2.138 3.274 . 0 0 "[ . 1 . 2]" 1
782 1 61 PHE H 1 63 ASN H 4.630 . 5.320 4.317 4.005 4.658 . 0 0 "[ . 1 . 2]" 1
783 1 169 GLN HA 1 171 LEU H 3.990 . 4.590 4.095 3.853 4.430 . 0 0 "[ . 1 . 2]" 1
784 1 171 LEU H 1 171 LEU HG 3.040 . 3.500 2.287 2.026 2.489 . 0 0 "[ . 1 . 2]" 1
785 1 57 LEU MD2 1 61 PHE H 4.070 . 4.680 3.764 3.579 3.920 . 0 0 "[ . 1 . 2]" 1
786 1 57 LEU HA 1 60 TRP H 4.200 . 4.830 3.499 3.286 3.832 . 0 0 "[ . 1 . 2]" 1
787 1 95 ASP HA 1 99 TYR H 5.130 . 5.900 4.766 3.844 5.866 . 0 0 "[ . 1 . 2]" 1
788 1 98 LEU HG 1 99 TYR H 4.340 . 4.990 3.939 3.470 4.264 . 0 0 "[ . 1 . 2]" 1
789 1 98 LEU QD 1 99 TYR H 4.310 . 4.960 4.004 3.774 4.208 . 0 0 "[ . 1 . 2]" 1
790 1 120 GLU H 1 121 VAL H 4.040 . 4.650 2.617 2.499 2.722 . 0 0 "[ . 1 . 2]" 1
791 1 119 LEU H 1 120 GLU H 3.770 . 4.340 2.579 2.431 2.724 . 0 0 "[ . 1 . 2]" 1
792 1 118 PHE HA 1 120 GLU H 4.590 . 5.280 4.351 3.901 4.836 . 0 0 "[ . 1 . 2]" 1
793 1 119 LEU HG 1 120 GLU H 5.330 . 6.130 5.344 5.070 5.559 . 0 0 "[ . 1 . 2]" 1
794 1 93 THR MG 1 120 GLU H 5.490 . 6.310 5.200 3.946 6.293 . 0 0 "[ . 1 . 2]" 1
795 1 120 GLU H 1 121 VAL MG2 5.500 . 6.330 4.373 4.142 4.630 . 0 0 "[ . 1 . 2]" 1
796 1 119 LEU MD1 1 120 GLU H 4.630 . 5.320 4.741 4.610 4.847 . 0 0 "[ . 1 . 2]" 1
797 1 143 TRP H 1 144 LYS H 4.250 . 4.890 2.951 2.614 3.295 . 0 0 "[ . 1 . 2]" 1
798 1 143 TRP HE3 1 144 LYS H 5.350 . 6.150 4.868 4.147 5.698 . 0 0 "[ . 1 . 2]" 1
799 1 142 SER HA 1 144 LYS H 4.330 . 4.980 4.418 4.005 5.105 0.125 4 0 "[ . 1 . 2]" 1
800 1 146 ALA H 1 148 TYR H 4.580 . 5.270 4.091 3.893 4.426 . 0 0 "[ . 1 . 2]" 1
801 1 145 LYS H 1 146 ALA H 3.340 . 3.840 2.731 2.605 2.896 . 0 0 "[ . 1 . 2]" 1
802 1 146 ALA H 1 147 ILE H 3.500 . 4.030 2.718 2.539 2.913 . 0 0 "[ . 1 . 2]" 1
803 1 119 LEU H 1 119 LEU HB2 3.580 . 4.120 2.456 2.343 2.624 . 0 0 "[ . 1 . 2]" 1
804 1 114 VAL HB 1 119 LEU H 4.070 . 4.680 4.375 4.013 4.680 0.000 11 0 "[ . 1 . 2]" 1
805 1 119 LEU H 1 119 LEU HG 4.300 . 4.950 4.058 3.977 4.223 . 0 0 "[ . 1 . 2]" 1
806 1 119 LEU H 1 122 ALA MB 4.620 . 5.310 4.448 4.304 4.698 . 0 0 "[ . 1 . 2]" 1
807 1 119 LEU H 1 119 LEU MD1 3.470 . 3.990 3.444 3.061 3.707 . 0 0 "[ . 1 . 2]" 1
808 1 146 ALA HA 1 150 VAL H 4.610 . 5.300 4.278 3.930 4.421 . 0 0 "[ . 1 . 2]" 1
809 1 150 VAL H 1 150 VAL HB 3.740 . 4.300 3.733 3.698 3.769 . 0 0 "[ . 1 . 2]" 1
810 1 146 ALA MB 1 150 VAL H 4.890 . 5.620 4.710 4.459 4.821 . 0 0 "[ . 1 . 2]" 1
811 1 150 VAL H 1 151 ILE MG 4.550 . 5.230 4.279 4.088 4.522 . 0 0 "[ . 1 . 2]" 1
812 1 169 GLN HA 1 172 LEU H 3.980 . 4.580 3.533 2.986 4.061 . 0 0 "[ . 1 . 2]" 1
813 1 168 LEU HA 1 172 LEU H 5.220 . 6.000 4.939 4.397 5.490 . 0 0 "[ . 1 . 2]" 1
814 1 171 LEU HG 1 172 LEU H 3.680 . 4.230 3.714 2.928 4.228 . 0 0 "[ . 1 . 2]" 1
815 1 168 LEU MD2 1 172 LEU H 3.550 . 4.080 3.853 3.534 4.202 0.122 7 0 "[ . 1 . 2]" 1
816 1 168 LEU MD1 1 172 LEU H 4.720 . 5.430 5.172 4.622 5.526 0.096 4 0 "[ . 1 . 2]" 1
817 1 144 LYS H 1 145 LYS H 3.390 . 3.900 2.765 2.442 3.164 . 0 0 "[ . 1 . 2]" 1
818 1 145 LYS H 1 148 TYR HD2 4.250 . 4.890 4.350 3.765 4.971 0.081 16 0 "[ . 1 . 2]" 1
819 1 142 SER HA 1 145 LYS H 4.530 . 5.210 3.967 3.327 4.920 . 0 0 "[ . 1 . 2]" 1
820 1 169 GLN HA 1 170 GLU H 3.490 . 4.010 3.499 3.443 3.558 . 0 0 "[ . 1 . 2]" 1
821 1 145 LYS H 1 145 LYS HB2 3.400 . 3.910 2.717 2.244 3.635 . 0 0 "[ . 1 . 2]" 1
822 1 145 LYS H 1 145 LYS HB3 3.400 . 3.910 2.962 2.468 3.639 . 0 0 "[ . 1 . 2]" 1
823 1 170 GLU H 1 171 LEU HG 3.840 . 4.420 4.216 3.909 4.583 0.163 9 0 "[ . 1 . 2]" 1
824 1 168 LEU MD2 1 170 GLU H 4.370 . 5.030 4.922 4.713 5.151 0.121 10 0 "[ . 1 . 2]" 1
825 1 118 PHE H 1 120 GLU H 4.350 . 5.000 3.950 3.600 4.431 . 0 0 "[ . 1 . 2]" 1
826 1 115 PRO HB2 1 118 PHE H 4.260 . 4.900 3.712 2.172 4.630 . 0 0 "[ . 1 . 2]" 1
827 1 154 LEU H 1 154 LEU HG 3.400 . 3.910 2.384 2.066 3.266 . 0 0 "[ . 1 . 2]" 1
828 1 154 LEU H 1 154 LEU MD1 4.010 . 4.610 3.754 3.099 4.321 . 0 0 "[ . 1 . 2]" 1
829 1 154 LEU H 1 154 LEU MD2 3.320 . 3.820 3.248 2.894 3.879 0.059 9 0 "[ . 1 . 2]" 1
830 1 86 SER H 1 88 GLU H 5.370 . 6.180 5.224 5.059 5.547 . 0 0 "[ . 1 . 2]" 1
831 1 85 THR HA 1 86 SER H 3.520 . 4.050 3.186 2.879 3.493 . 0 0 "[ . 1 . 2]" 1
832 1 85 THR HB 1 86 SER H 4.570 . 5.260 4.370 4.091 4.588 . 0 0 "[ . 1 . 2]" 1
833 1 84 VAL MG1 1 86 SER H 2.970 . 3.420 2.025 1.795 2.389 0.005 20 0 "[ . 1 . 2]" 1
834 1 86 SER H 1 90 LEU MD2 4.280 . 4.920 3.939 3.177 4.593 . 0 0 "[ . 1 . 2]" 1
835 1 166 ASN HA 1 169 GLN H 3.980 . 4.580 3.870 3.358 4.446 . 0 0 "[ . 1 . 2]" 1
836 1 38 ASN HA 1 41 LYS H 4.050 . 4.660 3.898 3.654 4.160 . 0 0 "[ . 1 . 2]" 1
837 1 169 GLN H 1 169 GLN HB2 3.150 . 3.620 2.388 2.258 2.523 . 0 0 "[ . 1 . 2]" 1
838 1 169 GLN H 1 169 GLN HB3 3.150 . 3.620 2.628 2.501 2.830 . 0 0 "[ . 1 . 2]" 1
839 1 168 LEU HB3 1 169 GLN H 4.150 . 4.770 4.076 3.343 4.273 . 0 0 "[ . 1 . 2]" 1
840 1 41 LYS H 1 41 LYS HB2 3.560 . 4.090 2.714 2.422 3.663 . 0 0 "[ . 1 . 2]" 1
841 1 41 LYS H 1 41 LYS HB3 3.560 . 4.090 2.670 2.298 3.635 . 0 0 "[ . 1 . 2]" 1
842 1 168 LEU MD1 1 169 GLN H 4.510 . 5.190 2.218 1.990 2.752 . 0 0 "[ . 1 . 2]" 1
843 1 166 ASN H 1 166 ASN HB2 4.140 . 4.760 3.181 2.423 3.714 . 0 0 "[ . 1 . 2]" 1
844 1 166 ASN H 1 166 ASN HB3 4.140 . 4.760 3.746 2.619 4.207 . 0 0 "[ . 1 . 2]" 1
845 1 161 ILE HA 1 163 LYS H 3.970 . 4.570 3.779 3.321 4.321 . 0 0 "[ . 1 . 2]" 1
846 1 161 ILE HG12 1 163 LYS H 4.020 . 4.620 2.638 1.739 4.830 0.210 20 0 "[ . 1 . 2]" 1
847 1 161 ILE MD 1 163 LYS H 4.540 . 5.220 3.799 3.099 5.172 . 0 0 "[ . 1 . 2]" 1
848 1 137 LYS H 1 139 VAL H 4.680 . 5.380 4.712 3.203 5.724 0.344 11 0 "[ . 1 . 2]" 1
849 1 135 ALA HA 1 137 LYS H 5.500 . 6.330 5.021 4.748 5.524 . 0 0 "[ . 1 . 2]" 1
850 1 133 ILE HA 1 137 LYS H 4.420 . 5.080 3.155 2.033 3.913 . 0 0 "[ . 1 . 2]" 1
851 1 135 ALA MB 1 137 LYS H 3.170 . 3.650 3.245 2.792 3.975 0.325 13 0 "[ . 1 . 2]" 1
852 1 133 ILE MG 1 137 LYS H 4.420 . 5.080 4.940 3.859 5.569 0.489 17 0 "[ . 1 . 2]" 1
853 1 44 PHE HA 1 45 SER H 3.510 . 4.040 2.583 2.167 3.096 . 0 0 "[ . 1 . 2]" 1
854 1 45 SER H 1 45 SER HB2 4.140 . 4.760 2.839 2.326 3.583 . 0 0 "[ . 1 . 2]" 1
855 1 45 SER H 1 45 SER HB3 4.140 . 4.760 3.023 2.507 3.666 . 0 0 "[ . 1 . 2]" 1
856 1 45 SER H 1 47 VAL MG2 5.130 . 5.900 4.819 3.872 5.355 . 0 0 "[ . 1 . 2]" 1
857 1 55 SER H 1 58 ILE HG13 5.270 . 6.060 5.373 4.864 6.088 0.028 12 0 "[ . 1 . 2]" 1
858 1 54 THR MG 1 55 SER H 3.720 . 4.280 3.677 3.506 3.885 . 0 0 "[ . 1 . 2]" 1
859 1 95 ASP H 1 99 TYR HD1 4.520 . 5.200 4.313 3.600 5.258 0.058 10 0 "[ . 1 . 2]" 1
860 1 93 THR HA 1 95 ASP H 3.910 . 4.500 4.087 3.307 5.427 0.927 10 1 "[ . + . 2]" 1
861 1 95 ASP H 1 95 ASP HB2 4.100 . 4.720 3.245 2.376 3.983 . 0 0 "[ . 1 . 2]" 1
862 1 95 ASP H 1 95 ASP HB3 4.100 . 4.720 3.171 2.428 4.082 . 0 0 "[ . 1 . 2]" 1
863 1 93 THR MG 1 95 ASP H 4.370 . 5.030 3.901 3.114 5.183 0.153 17 0 "[ . 1 . 2]" 1
864 1 95 ASP H 1 119 LEU MD2 5.500 . 6.330 5.840 5.162 6.383 0.053 20 0 "[ . 1 . 2]" 1
865 1 161 ILE HG12 1 164 SER H 4.930 . 5.670 3.140 1.875 5.520 . 0 0 "[ . 1 . 2]" 1
866 1 161 ILE MD 1 164 SER H 4.120 . 4.740 3.361 2.484 4.708 . 0 0 "[ . 1 . 2]" 1
867 1 87 THR HB 1 89 GLU H 4.960 . 5.700 5.014 4.809 5.375 . 0 0 "[ . 1 . 2]" 1
868 1 87 THR MG 1 89 GLU H 5.170 . 5.950 5.156 4.998 5.433 . 0 0 "[ . 1 . 2]" 1
869 1 84 VAL MG1 1 89 GLU H 4.070 . 4.680 4.033 3.552 4.458 . 0 0 "[ . 1 . 2]" 1
870 1 89 GLU H 1 90 LEU MD1 4.790 . 5.510 4.763 4.271 5.358 . 0 0 "[ . 1 . 2]" 1
871 1 146 ALA HA 1 149 LYS H 4.000 . 4.600 3.504 3.100 3.772 . 0 0 "[ . 1 . 2]" 1
872 1 147 ILE HA 1 149 LYS H 4.540 . 5.220 4.363 4.178 4.628 . 0 0 "[ . 1 . 2]" 1
873 1 145 LYS HA 1 149 LYS H 4.470 . 5.140 4.045 3.722 4.351 . 0 0 "[ . 1 . 2]" 1
874 1 149 LYS H 1 150 VAL MG1 3.990 . 4.590 4.127 3.970 4.386 . 0 0 "[ . 1 . 2]" 1
875 1 149 LYS H 1 151 ILE MD 4.390 . 5.050 4.905 4.208 5.053 0.003 6 0 "[ . 1 . 2]" 1
876 1 166 ASN HA 1 167 CYS H 3.500 . 4.030 3.249 2.630 3.508 . 0 0 "[ . 1 . 2]" 1
877 1 92 ILE HA 1 93 THR H 3.350 . 3.850 2.490 2.264 2.714 . 0 0 "[ . 1 . 2]" 1
878 1 167 CYS H 1 167 CYS HB2 3.530 . 4.060 2.621 2.433 3.009 . 0 0 "[ . 1 . 2]" 1
879 1 167 CYS H 1 167 CYS HB3 3.530 . 4.060 2.657 2.445 3.801 . 0 0 "[ . 1 . 2]" 1
880 1 93 THR H 1 119 LEU HG 4.560 . 5.240 4.986 4.516 5.400 0.160 8 0 "[ . 1 . 2]" 1
881 1 93 THR H 1 93 THR MG 3.700 . 4.260 3.667 2.308 3.779 . 0 0 "[ . 1 . 2]" 1
882 1 92 ILE MG 1 93 THR H 3.370 . 3.880 2.246 1.790 2.681 0.010 14 0 "[ . 1 . 2]" 1
883 1 16 GLY H 1 17 LEU H 3.290 . 3.780 2.831 1.836 3.945 0.165 2 0 "[ . 1 . 2]" 1
884 1 16 GLY H 1 53 ILE HB 4.840 . 5.570 4.971 3.109 5.839 0.269 13 0 "[ . 1 . 2]" 1
885 1 16 GLY H 1 17 LEU MD2 5.500 . 6.330 4.772 2.295 6.395 0.065 2 0 "[ . 1 . 2]" 1
886 1 133 ILE HA 1 136 GLY H 4.490 . 5.160 3.424 3.036 4.418 . 0 0 "[ . 1 . 2]" 1
887 1 135 ALA MB 1 136 GLY H 3.250 . 3.740 2.728 2.188 3.130 . 0 0 "[ . 1 . 2]" 1
888 1 134 ILE MG 1 136 GLY H 5.250 . 6.040 4.427 4.175 4.662 . 0 0 "[ . 1 . 2]" 1
889 1 82 ASP HB3 1 83 GLY H 3.600 . 4.140 2.976 2.910 3.060 . 0 0 "[ . 1 . 2]" 1
890 1 83 GLY H 1 84 VAL MG2 3.800 . 4.370 3.594 3.290 3.929 . 0 0 "[ . 1 . 2]" 1
891 1 80 ILE MG 1 83 GLY H 4.770 . 5.490 4.934 4.624 5.455 . 0 0 "[ . 1 . 2]" 1
892 1 80 ILE MD 1 83 GLY H 5.500 . 6.330 5.409 5.105 5.653 . 0 0 "[ . 1 . 2]" 1
893 1 106 TYR H 1 106 TYR QE 5.390 . 6.200 4.585 4.235 4.997 . 0 0 "[ . 1 . 2]" 1
894 1 102 LEU QD 1 106 TYR H 5.020 . 5.770 4.758 4.349 5.178 . 0 0 "[ . 1 . 2]" 1
895 1 49 PHE HB2 1 50 ASN H 4.550 . 5.230 4.377 3.676 4.545 . 0 0 "[ . 1 . 2]" 1
896 1 49 PHE HB3 1 50 ASN H 4.550 . 5.230 3.904 2.601 4.550 . 0 0 "[ . 1 . 2]" 1
897 1 47 VAL MG1 1 50 ASN H 4.130 . 4.750 3.910 3.503 4.577 . 0 0 "[ . 1 . 2]" 1
898 1 139 VAL H 1 140 ASP H 3.040 . 3.500 2.568 1.702 3.539 0.098 19 0 "[ . 1 . 2]" 1
899 1 138 ASP HA 1 139 VAL H 3.470 . 3.990 3.028 2.135 3.528 . 0 0 "[ . 1 . 2]" 1
900 1 139 VAL H 1 139 VAL HB 3.640 . 4.190 3.250 2.602 3.823 . 0 0 "[ . 1 . 2]" 1
901 1 138 ASP HB2 1 139 VAL H 4.510 . 5.190 4.155 3.080 4.584 . 0 0 "[ . 1 . 2]" 1
902 1 139 VAL H 1 139 VAL MG2 2.530 . 2.910 2.065 1.767 2.929 0.033 2 0 "[ . 1 . 2]" 1
903 1 138 ASP HB3 1 139 VAL H 4.510 . 5.190 4.121 2.999 4.597 . 0 0 "[ . 1 . 2]" 1
904 1 42 THR H 1 43 TYR H 3.490 . 4.010 2.587 2.458 2.743 . 0 0 "[ . 1 . 2]" 1
905 1 42 THR H 1 42 THR HB 3.490 . 4.010 2.553 2.508 2.693 . 0 0 "[ . 1 . 2]" 1
906 1 39 MET ME 1 42 THR H 5.340 . 6.140 5.902 5.153 6.216 0.076 2 0 "[ . 1 . 2]" 1
907 1 31 TYR HB2 1 32 THR H 5.210 . 5.990 4.106 2.302 4.690 . 0 0 "[ . 1 . 2]" 1
908 1 31 TYR HB3 1 32 THR H 5.210 . 5.990 4.068 2.542 4.569 . 0 0 "[ . 1 . 2]" 1
909 1 32 THR H 1 32 THR MG 3.610 . 4.150 2.860 1.915 4.050 . 0 0 "[ . 1 . 2]" 1
910 1 144 LYS HA 1 147 ILE H 4.310 . 4.960 3.614 2.829 4.356 . 0 0 "[ . 1 . 2]" 1
911 1 146 ALA MB 1 147 ILE H 3.100 . 3.570 2.417 2.248 2.733 . 0 0 "[ . 1 . 2]" 1
912 1 132 ALA HA 1 135 ALA H 3.820 . 4.390 3.724 3.381 4.036 . 0 0 "[ . 1 . 2]" 1
913 1 133 ILE HA 1 135 ALA H 4.590 . 5.280 4.479 4.231 4.634 . 0 0 "[ . 1 . 2]" 1
914 1 135 ALA H 1 135 ALA MB 2.820 . 3.240 2.268 2.233 2.299 . 0 0 "[ . 1 . 2]" 1
915 1 134 ILE HB 1 135 ALA H 4.320 . 4.970 4.069 3.913 4.164 . 0 0 "[ . 1 . 2]" 1
916 1 134 ILE MG 1 135 ALA H 3.110 . 3.580 2.301 2.130 2.435 . 0 0 "[ . 1 . 2]" 1
917 1 86 SER HA 1 87 THR H 3.070 . 3.530 2.169 2.098 2.236 . 0 0 "[ . 1 . 2]" 1
918 1 87 THR H 1 87 THR HB 3.820 . 4.390 3.558 2.637 3.653 . 0 0 "[ . 1 . 2]" 1
919 1 151 ILE HB 1 152 CYS H 4.360 . 5.010 4.065 3.888 4.229 . 0 0 "[ . 1 . 2]" 1
920 1 76 ALA MB 1 130 PHE H 3.740 . 4.300 2.928 2.549 3.361 . 0 0 "[ . 1 . 2]" 1
921 1 87 THR H 1 87 THR MG 3.290 . 3.780 2.446 2.091 3.715 . 0 0 "[ . 1 . 2]" 1
922 1 151 ILE MG 1 152 CYS H 4.190 . 4.820 4.105 3.820 4.279 . 0 0 "[ . 1 . 2]" 1
923 1 150 VAL MG1 1 152 CYS H 5.480 . 6.300 5.415 5.283 5.579 . 0 0 "[ . 1 . 2]" 1
924 1 152 CYS H 1 154 LEU MD1 5.500 . 6.330 5.218 4.791 5.723 . 0 0 "[ . 1 . 2]" 1
925 1 151 ILE MD 1 152 CYS H 3.790 . 4.360 4.068 2.501 4.430 0.070 19 0 "[ . 1 . 2]" 1
926 1 84 VAL MG1 1 87 THR H 4.660 . 5.360 4.736 4.151 5.026 . 0 0 "[ . 1 . 2]" 1
927 1 80 ILE MD 1 130 PHE H 5.080 . 5.840 4.994 4.551 5.714 . 0 0 "[ . 1 . 2]" 1
928 1 87 THR H 1 90 LEU MD1 5.210 . 5.990 4.892 4.162 5.793 . 0 0 "[ . 1 . 2]" 1
929 1 90 LEU MD1 1 130 PHE H 5.500 . 6.330 5.853 5.192 6.506 0.176 6 0 "[ . 1 . 2]" 1
930 1 74 LYS H 1 76 ALA H 4.450 . 5.120 4.214 3.892 4.629 . 0 0 "[ . 1 . 2]" 1
931 1 72 MET HA 1 74 LYS H 4.620 . 5.310 4.352 4.141 4.766 . 0 0 "[ . 1 . 2]" 1
932 1 70 ILE MG 1 74 LYS H 4.070 . 4.680 4.190 3.678 4.849 0.169 7 0 "[ . 1 . 2]" 1
933 1 129 PHE H 1 131 ASN H 4.540 . 5.220 4.259 3.999 4.629 . 0 0 "[ . 1 . 2]" 1
934 1 128 GLU HA 1 131 ASN H 4.010 . 4.610 3.484 3.127 4.068 . 0 0 "[ . 1 . 2]" 1
935 1 127 ARG HA 1 131 ASN H 4.290 . 4.930 3.904 3.617 4.212 . 0 0 "[ . 1 . 2]" 1
936 1 131 ASN H 1 131 ASN HB2 3.510 . 4.040 2.477 2.351 2.596 . 0 0 "[ . 1 . 2]" 1
937 1 131 ASN H 1 131 ASN HB3 3.510 . 4.040 2.570 2.473 2.684 . 0 0 "[ . 1 . 2]" 1
938 1 131 ASN H 1 132 ALA MB 4.740 . 5.450 4.403 4.328 4.489 . 0 0 "[ . 1 . 2]" 1
939 1 131 ASN H 1 134 ILE MG 4.030 . 4.630 3.861 3.779 3.995 . 0 0 "[ . 1 . 2]" 1
940 1 69 TYR H 1 70 ILE MD 5.500 . 6.330 5.061 3.845 6.162 . 0 0 "[ . 1 . 2]" 1
941 1 119 LEU HA 1 122 ALA H 3.960 . 4.550 3.223 2.898 3.766 . 0 0 "[ . 1 . 2]" 1
942 1 121 VAL HB 1 122 ALA H 3.620 . 4.160 2.683 2.399 2.931 . 0 0 "[ . 1 . 2]" 1
943 1 122 ALA H 1 125 THR MG 4.480 . 5.150 4.216 3.766 5.271 0.121 2 0 "[ . 1 . 2]" 1
944 1 122 ALA H 1 122 ALA MB 3.170 . 3.650 2.251 2.221 2.302 . 0 0 "[ . 1 . 2]" 1
945 1 121 VAL MG1 1 122 ALA H 3.580 . 4.120 3.200 2.791 3.549 . 0 0 "[ . 1 . 2]" 1
946 1 123 GLN H 1 125 THR MG 4.640 . 5.340 4.515 4.172 5.713 0.373 10 0 "[ . 1 . 2]" 1
947 1 121 VAL MG1 1 123 GLN H 5.500 . 6.330 5.013 4.669 5.439 . 0 0 "[ . 1 . 2]" 1
948 1 123 GLN H 1 124 ILE MD 5.500 . 6.330 5.451 5.033 5.659 . 0 0 "[ . 1 . 2]" 1
949 1 92 ILE MD 1 123 GLN H 3.850 . 4.430 4.051 3.876 4.167 . 0 0 "[ . 1 . 2]" 1
950 1 76 ALA H 1 78 GLN H 4.440 . 5.110 4.121 3.928 4.392 . 0 0 "[ . 1 . 2]" 1
951 1 74 LYS HA 1 76 ALA H 4.570 . 5.260 4.658 4.316 5.085 . 0 0 "[ . 1 . 2]" 1
952 1 76 ALA H 1 76 ALA MB 3.160 . 3.630 2.241 2.206 2.262 . 0 0 "[ . 1 . 2]" 1
953 1 76 ALA H 1 126 LEU MD1 3.580 . 4.120 2.754 2.406 3.286 . 0 0 "[ . 1 . 2]" 1
954 1 125 THR MG 1 128 GLU H 5.170 . 5.950 4.983 4.788 5.168 . 0 0 "[ . 1 . 2]" 1
955 1 124 ILE MG 1 128 GLU H 4.280 . 4.920 4.181 4.002 4.302 . 0 0 "[ . 1 . 2]" 1
956 1 128 GLU H 1 147 ILE MG 4.860 . 5.590 5.108 4.197 5.665 0.075 5 0 "[ . 1 . 2]" 1
957 1 75 TYR H 1 76 ALA MB 4.510 . 5.190 4.332 4.158 4.510 . 0 0 "[ . 1 . 2]" 1
958 1 132 ALA MB 1 134 ILE H 4.780 . 5.500 4.618 4.411 4.943 . 0 0 "[ . 1 . 2]" 1
959 1 76 ALA MB 1 129 PHE H 5.020 . 5.770 4.476 4.248 4.866 . 0 0 "[ . 1 . 2]" 1
960 1 126 LEU MD1 1 129 PHE H 5.200 . 5.980 4.660 4.166 5.209 . 0 0 "[ . 1 . 2]" 1
961 1 129 PHE H 1 147 ILE MG 4.150 . 4.770 4.329 3.242 4.886 0.116 13 0 "[ . 1 . 2]" 1
962 1 129 PHE H 1 147 ILE MD 4.260 . 4.900 3.507 3.022 4.261 . 0 0 "[ . 1 . 2]" 1
963 1 124 ILE H 1 124 ILE HB 3.480 . 4.000 2.454 2.355 2.598 . 0 0 "[ . 1 . 2]" 1
964 1 76 ALA MB 1 77 ARG H 3.330 . 3.830 2.465 2.316 2.624 . 0 0 "[ . 1 . 2]" 1
965 1 77 ARG H 1 133 ILE MD 4.160 . 4.780 4.089 3.052 4.895 0.115 8 0 "[ . 1 . 2]" 1
966 1 77 ARG H 1 133 ILE MG 4.990 . 5.740 4.738 4.045 5.449 . 0 0 "[ . 1 . 2]" 1
967 1 72 MET H 1 72 MET ME 3.600 . 4.140 3.836 2.778 4.210 0.070 2 0 "[ . 1 . 2]" 1
968 1 125 THR MG 1 127 ARG H 4.260 . 4.900 4.438 4.208 4.885 . 0 0 "[ . 1 . 2]" 1
969 1 126 LEU MD1 1 127 ARG H 4.920 . 5.660 4.611 4.406 4.773 . 0 0 "[ . 1 . 2]" 1
970 1 126 LEU MD2 1 127 ARG H 4.510 . 5.190 4.296 3.880 4.800 . 0 0 "[ . 1 . 2]" 1
971 1 70 ILE MG 1 71 GLN H 3.520 . 4.050 3.254 2.422 3.801 . 0 0 "[ . 1 . 2]" 1
972 1 153 LYS H 1 154 LEU MD1 4.860 . 5.590 5.041 4.650 5.261 . 0 0 "[ . 1 . 2]" 1
973 1 153 LYS H 1 154 LEU MD2 3.990 . 4.590 4.629 4.443 4.793 0.203 14 0 "[ . 1 . 2]" 1
974 1 130 PHE H 1 130 PHE HB3 4.180 . 4.810 2.556 2.314 3.592 . 0 0 "[ . 1 . 2]" 1
975 1 132 ALA H 1 132 ALA MB 2.940 . 3.380 2.262 2.218 2.304 . 0 0 "[ . 1 . 2]" 1
976 1 132 ALA H 1 133 ILE MD 4.530 . 5.210 4.305 3.797 5.289 0.079 2 0 "[ . 1 . 2]" 1
977 1 132 ALA H 1 134 ILE MG 4.070 . 4.680 3.992 3.881 4.147 . 0 0 "[ . 1 . 2]" 1
978 1 132 ALA H 1 147 ILE MD 5.170 . 5.950 4.622 3.744 5.588 . 0 0 "[ . 1 . 2]" 1
979 1 132 ALA MB 1 133 ILE H 3.490 . 4.010 2.454 2.223 2.819 . 0 0 "[ . 1 . 2]" 1
980 1 133 ILE H 1 133 ILE HB 3.710 . 4.270 2.508 2.330 2.610 . 0 0 "[ . 1 . 2]" 1
981 1 133 ILE H 1 133 ILE MG 4.090 . 4.700 3.830 3.721 3.886 . 0 0 "[ . 1 . 2]" 1
982 1 133 ILE H 1 134 ILE MG 4.420 . 5.080 3.929 3.697 4.156 . 0 0 "[ . 1 . 2]" 1
983 1 132 ALA H 1 134 ILE H 4.450 . 5.120 4.244 4.001 4.402 . 0 0 "[ . 1 . 2]" 1
984 1 134 ILE H 1 135 ALA MB 4.570 . 5.260 4.449 4.350 4.545 . 0 0 "[ . 1 . 2]" 1
985 1 134 ILE H 1 134 ILE HB 3.460 . 3.980 2.560 2.409 2.685 . 0 0 "[ . 1 . 2]" 1
986 1 133 ILE MD 1 134 ILE H 4.340 . 4.990 4.326 4.081 4.771 . 0 0 "[ . 1 . 2]" 1
987 1 80 ILE MG 1 134 ILE H 4.180 . 4.810 4.347 3.706 4.902 0.092 13 0 "[ . 1 . 2]" 1
988 1 134 ILE H 1 134 ILE MG 2.960 . 3.400 2.184 1.995 2.438 . 0 0 "[ . 1 . 2]" 1
989 1 59 LYS H 1 62 SER H 4.960 . 5.700 4.578 4.422 4.712 . 0 0 "[ . 1 . 2]" 1
990 1 60 TRP HA 1 62 SER H 4.520 . 5.200 4.295 4.036 4.630 . 0 0 "[ . 1 . 2]" 1
991 1 60 TRP H 1 63 ASN H 5.480 . 6.300 4.727 4.506 4.978 . 0 0 "[ . 1 . 2]" 1
992 1 63 ASN H 1 66 GLU H 5.500 . 6.330 4.721 4.396 5.004 . 0 0 "[ . 1 . 2]" 1
993 1 112 PHE HA 1 114 VAL H 4.280 . 4.920 4.296 2.943 5.238 0.318 2 0 "[ . 1 . 2]" 1
994 1 112 PHE HA 1 113 GLU H 3.190 . 3.670 2.425 2.050 3.473 . 0 0 "[ . 1 . 2]" 1
995 1 101 ALA MB 1 105 HIS H 4.860 . 5.590 4.750 4.504 4.923 . 0 0 "[ . 1 . 2]" 1
996 1 75 TYR HA 1 75 TYR HD1 3.710 . 4.270 2.089 1.875 2.272 . 0 0 "[ . 1 . 2]" 1
997 1 99 TYR H 1 99 TYR HE1 5.300 . 6.100 4.330 4.161 4.624 . 0 0 "[ . 1 . 2]" 1
998 1 22 LEU MD1 1 60 TRP HZ2 4.530 . 5.210 4.289 3.651 4.985 . 0 0 "[ . 1 . 2]" 1
999 1 143 TRP H 1 143 TRP HD1 3.440 . 3.960 2.410 1.890 3.665 . 0 0 "[ . 1 . 2]" 1
1000 1 60 TRP H 1 60 TRP HD1 4.340 . 4.990 2.953 2.650 3.257 . 0 0 "[ . 1 . 2]" 1
1001 1 17 LEU MD2 1 60 TRP HZ2 5.030 . 5.780 5.435 3.619 6.030 0.250 5 0 "[ . 1 . 2]" 1
1002 1 22 LEU MD2 1 60 TRP HZ2 4.170 . 4.800 3.395 2.403 4.449 . 0 0 "[ . 1 . 2]" 1
1003 1 99 TYR H 1 99 TYR HD1 4.050 . 4.660 1.966 1.755 2.235 0.045 16 0 "[ . 1 . 2]" 1
1004 1 99 TYR HD1 1 100 ARG H 5.320 . 6.120 4.359 4.112 4.579 . 0 0 "[ . 1 . 2]" 1
1005 1 99 TYR HD2 1 100 ARG H 5.500 . 6.330 5.511 5.242 5.763 . 0 0 "[ . 1 . 2]" 1
1006 1 99 TYR HD1 1 119 LEU MD1 3.510 . 4.040 3.271 2.563 3.609 . 0 0 "[ . 1 . 2]" 1
1007 1 99 TYR HD1 1 119 LEU MD2 4.520 . 5.200 4.557 3.715 5.327 0.127 17 0 "[ . 1 . 2]" 1
1008 1 99 TYR HD1 1 102 LEU QD 4.660 . 5.360 4.887 3.664 5.319 . 0 0 "[ . 1 . 2]" 1
1009 1 129 PHE QD 1 143 TRP HH2 4.040 . 4.650 3.554 2.238 4.148 . 0 0 "[ . 1 . 2]" 1
1010 1 148 TYR HA 1 148 TYR HD1 3.650 . 4.200 2.055 1.968 2.157 . 0 0 "[ . 1 . 2]" 1
1011 1 145 LYS HA 1 148 TYR HD2 3.740 . 4.300 2.361 1.876 3.273 . 0 0 "[ . 1 . 2]" 1
1012 1 147 ILE HB 1 148 TYR HD1 4.000 . 4.600 4.072 3.484 4.530 . 0 0 "[ . 1 . 2]" 1
1013 1 148 TYR HA 1 148 TYR HE1 4.650 . 5.350 4.499 4.416 4.619 . 0 0 "[ . 1 . 2]" 1
1014 1 145 LYS HA 1 148 TYR HE2 4.320 . 4.970 4.182 3.696 4.998 0.028 1 0 "[ . 1 . 2]" 1
1015 1 147 ILE HB 1 148 TYR HE1 4.560 . 5.240 4.783 4.092 5.223 . 0 0 "[ . 1 . 2]" 1
1016 1 102 LEU QD 1 106 TYR QE 3.880 . 4.010 1.996 1.723 2.604 0.077 18 0 "[ . 1 . 2]" 1
1017 1 98 LEU QD 1 106 TYR QE 5.260 . 6.050 5.176 4.810 5.480 . 0 0 "[ . 1 . 2]" 1
1018 1 106 TYR H 1 106 TYR QD 4.680 . 5.380 2.682 1.953 3.481 . 0 0 "[ . 1 . 2]" 1
1019 1 68 TYR H 1 106 TYR QD 5.150 . 5.920 5.114 3.796 5.800 . 0 0 "[ . 1 . 2]" 1
1020 1 132 ALA MB 1 143 TRP HZ3 3.860 . 4.440 3.413 2.351 4.590 0.150 12 0 "[ . 1 . 2]" 1
1021 1 133 ILE MD 1 143 TRP HH2 3.960 . 4.550 2.918 1.813 3.774 . 0 0 "[ . 1 . 2]" 1
1022 1 44 PHE H 1 44 PHE HD2 4.470 . 5.140 3.613 3.047 4.217 . 0 0 "[ . 1 . 2]" 1
1023 1 43 TYR HE2 1 158 VAL HB 4.720 . 5.430 5.038 4.446 5.462 0.032 17 0 "[ . 1 . 2]" 1
1024 1 32 THR MG 1 43 TYR HE2 3.590 . 4.130 2.800 1.705 3.972 0.095 10 0 "[ . 1 . 2]" 1
1025 1 43 TYR HE2 1 158 VAL MG2 3.660 . 4.210 3.098 2.084 3.897 . 0 0 "[ . 1 . 2]" 1
1026 1 43 TYR HE2 1 158 VAL MG1 3.460 . 3.980 2.498 1.827 3.108 . 0 0 "[ . 1 . 2]" 1
1027 1 32 THR HB 1 43 TYR HE2 3.960 . 4.550 3.699 2.025 4.763 0.213 18 0 "[ . 1 . 2]" 1
1028 1 43 TYR HE2 1 157 GLU HA 4.850 . 5.580 4.714 3.373 5.791 0.211 15 0 "[ . 1 . 2]" 1
1029 1 43 TYR HA 1 43 TYR HD1 3.730 . 4.290 2.181 1.921 2.813 . 0 0 "[ . 1 . 2]" 1
1030 1 47 VAL MG2 1 49 PHE HZ 4.240 . 4.880 4.373 3.866 4.817 . 0 0 "[ . 1 . 2]" 1
1031 1 47 VAL MG1 1 49 PHE HZ 3.840 . 4.420 4.116 3.596 4.488 0.068 5 0 "[ . 1 . 2]" 1
1032 1 21 HIS HE1 1 44 PHE HE1 4.140 . 4.760 4.090 2.726 4.908 0.148 3 0 "[ . 1 . 2]" 1
1033 1 17 LEU MD2 1 21 HIS HE1 3.780 . 4.350 3.253 2.617 4.254 . 0 0 "[ . 1 . 2]" 1
1034 1 75 TYR H 1 75 TYR HD1 3.570 . 4.110 3.308 2.753 3.761 . 0 0 "[ . 1 . 2]" 1
1035 1 75 TYR HD2 1 126 LEU MD2 3.250 . 3.740 3.400 2.389 3.813 0.073 3 0 "[ . 1 . 2]" 1
1036 1 141 PRO HA 1 143 TRP HD1 3.940 . 4.530 3.807 2.186 4.890 0.360 12 0 "[ . 1 . 2]" 1
1037 1 143 TRP HA 1 143 TRP HD1 4.440 . 5.110 4.015 2.932 4.487 . 0 0 "[ . 1 . 2]" 1
1038 1 133 ILE MD 1 143 TRP HZ2 4.660 . 5.360 4.468 3.645 5.089 . 0 0 "[ . 1 . 2]" 1
1039 1 95 ASP HA 1 99 TYR HD1 3.800 . 4.370 3.887 2.855 4.755 0.385 2 0 "[ . 1 . 2]" 1
1040 1 75 TYR HD2 1 91 SER HB2 4.930 . 5.670 2.920 2.186 4.332 . 0 0 "[ . 1 . 2]" 1
1041 1 75 TYR HD2 1 91 SER HB3 4.930 . 5.670 3.339 2.568 4.646 . 0 0 "[ . 1 . 2]" 1
1042 1 75 TYR HD2 1 102 LEU QD 4.930 . 5.670 4.672 3.935 5.266 . 0 0 "[ . 1 . 2]" 1
1043 1 44 PHE HD2 1 49 PHE HE1 3.720 . 4.280 3.640 2.700 4.121 . 0 0 "[ . 1 . 2]" 1
1044 1 44 PHE HD2 1 49 PHE HZ 4.040 . 4.650 3.845 2.972 4.680 0.030 6 0 "[ . 1 . 2]" 1
1045 1 44 PHE HA 1 44 PHE HD1 3.780 . 4.350 2.231 1.953 2.589 . 0 0 "[ . 1 . 2]" 1
1046 1 40 LEU HA 1 44 PHE HD2 3.760 . 4.320 2.430 1.808 3.413 . 0 0 "[ . 1 . 2]" 1
1047 1 44 PHE HD2 1 47 VAL HB 4.870 . 5.600 5.029 4.478 5.627 0.027 11 0 "[ . 1 . 2]" 1
1048 1 44 PHE HD1 1 47 VAL HB 5.380 . 6.190 5.050 3.935 6.317 0.127 18 0 "[ . 1 . 2]" 1
1049 1 39 MET ME 1 44 PHE HD2 4.450 . 5.120 4.057 3.573 4.587 . 0 0 "[ . 1 . 2]" 1
1050 1 28 MET ME 1 44 PHE HD1 4.330 . 4.980 3.930 3.256 4.862 . 0 0 "[ . 1 . 2]" 1
1051 1 44 PHE HD2 1 47 VAL MG2 4.160 . 4.780 4.247 2.997 4.808 0.028 13 0 "[ . 1 . 2]" 1
1052 1 44 PHE HD1 1 47 VAL MG2 4.290 . 4.930 3.190 2.353 3.965 . 0 0 "[ . 1 . 2]" 1
1053 1 44 PHE HD2 1 57 LEU MD2 3.580 . 4.120 3.149 2.292 3.781 . 0 0 "[ . 1 . 2]" 1
1054 1 44 PHE HD2 1 47 VAL MG1 4.300 . 4.950 4.972 4.565 5.132 0.182 8 0 "[ . 1 . 2]" 1
1055 1 129 PHE HA 1 129 PHE QE 4.390 . 5.050 4.434 4.285 4.657 . 0 0 "[ . 1 . 2]" 1
1056 1 126 LEU MD1 1 129 PHE QE 4.830 . 5.550 5.001 4.517 5.377 . 0 0 "[ . 1 . 2]" 1
1057 1 40 LEU HA 1 44 PHE HE2 4.920 . 5.660 3.568 2.494 4.677 . 0 0 "[ . 1 . 2]" 1
1058 1 44 PHE HE2 1 47 VAL MG2 5.390 . 6.200 5.407 4.476 5.888 . 0 0 "[ . 1 . 2]" 1
1059 1 44 PHE HE1 1 47 VAL MG2 5.500 . 6.330 4.667 3.916 5.207 . 0 0 "[ . 1 . 2]" 1
1060 1 48 LYS HA 1 49 PHE HD2 3.940 . 4.530 4.054 3.618 4.661 0.131 17 0 "[ . 1 . 2]" 1
1061 1 49 PHE HA 1 49 PHE HD1 3.880 . 4.460 2.654 2.421 3.009 . 0 0 "[ . 1 . 2]" 1
1062 1 47 VAL HB 1 49 PHE HD1 5.000 . 5.750 4.312 3.663 5.042 . 0 0 "[ . 1 . 2]" 1
1063 1 47 VAL HB 1 49 PHE HD2 5.500 . 6.330 4.966 4.272 5.666 . 0 0 "[ . 1 . 2]" 1
1064 1 45 SER HA 1 49 PHE HE2 4.870 . 5.600 4.034 2.391 4.800 . 0 0 "[ . 1 . 2]" 1
1065 1 48 LYS HA 1 49 PHE HE2 5.500 . 6.330 5.251 4.726 5.997 . 0 0 "[ . 1 . 2]" 1
1066 1 41 LYS HA 1 49 PHE HE2 4.300 . 4.950 2.750 2.144 3.293 . 0 0 "[ . 1 . 2]" 1
1067 1 47 VAL MG2 1 49 PHE HE1 4.000 . 4.600 3.975 3.085 4.594 . 0 0 "[ . 1 . 2]" 1
1068 1 47 VAL MG1 1 49 PHE HE1 3.700 . 4.260 3.011 2.750 3.205 . 0 0 "[ . 1 . 2]" 1
1069 1 129 PHE HA 1 129 PHE QD 4.030 . 4.630 2.459 2.021 3.088 . 0 0 "[ . 1 . 2]" 1
1070 1 125 THR MG 1 129 PHE QD 3.590 . 4.130 2.938 2.245 3.878 . 0 0 "[ . 1 . 2]" 1
1071 1 129 PHE QD 1 133 ILE MD 3.980 . 4.580 3.208 2.576 3.855 . 0 0 "[ . 1 . 2]" 1
1072 1 129 PHE QD 1 147 ILE MG 4.810 . 5.530 3.494 2.975 3.860 . 0 0 "[ . 1 . 2]" 1
1073 1 42 THR H 1 43 TYR HD1 4.800 . 5.520 5.211 3.627 5.735 0.215 17 0 "[ . 1 . 2]" 1
1074 1 68 TYR H 1 106 TYR QE 4.200 . 4.830 3.350 2.452 4.334 . 0 0 "[ . 1 . 2]" 1
1075 1 99 TYR HE1 1 119 LEU HG 3.810 . 4.380 2.872 1.814 3.648 . 0 0 "[ . 1 . 2]" 1
1076 1 99 TYR HE1 1 119 LEU MD1 3.420 . 3.930 2.562 1.760 3.324 0.040 10 0 "[ . 1 . 2]" 1
1077 1 99 TYR HE1 1 119 LEU MD2 3.390 . 3.900 3.485 2.254 4.038 0.138 2 0 "[ . 1 . 2]" 1
1078 1 129 PHE QE 1 143 TRP HZ3 4.260 . 4.900 3.238 2.603 4.153 . 0 0 "[ . 1 . 2]" 1
1079 1 75 TYR H 1 75 TYR HE1 4.670 . 5.370 5.034 4.671 5.410 0.040 15 0 "[ . 1 . 2]" 1
1080 1 75 TYR HA 1 75 TYR HE1 4.610 . 5.300 4.522 4.318 4.682 . 0 0 "[ . 1 . 2]" 1
1081 1 72 MET ME 1 75 TYR HE2 3.730 . 4.290 2.929 2.440 3.640 . 0 0 "[ . 1 . 2]" 1
1082 1 75 TYR HE2 1 126 LEU MD1 5.430 . 6.240 4.890 4.297 5.533 . 0 0 "[ . 1 . 2]" 1
1083 1 47 VAL H 1 49 PHE HZ 4.510 . 5.190 4.853 4.254 5.292 0.102 13 0 "[ . 1 . 2]" 1
1084 1 41 LYS HA 1 49 PHE HZ 4.060 . 4.670 2.748 1.998 3.290 . 0 0 "[ . 1 . 2]" 1
1085 1 44 PHE HB2 1 49 PHE HZ 4.590 . 5.280 2.322 1.786 3.109 0.014 3 0 "[ . 1 . 2]" 1
1086 1 44 PHE HB3 1 49 PHE HZ 4.590 . 5.280 3.385 2.850 4.315 . 0 0 "[ . 1 . 2]" 1
1087 1 47 VAL HB 1 49 PHE HZ 4.140 . 4.760 3.405 3.113 3.705 . 0 0 "[ . 1 . 2]" 1
1088 1 49 PHE HE1 1 57 LEU MD2 4.410 . 5.070 4.082 3.076 5.095 0.025 6 0 "[ . 1 . 2]" 1
1089 1 21 HIS HE1 1 44 PHE HA 4.890 . 5.620 4.925 3.571 5.710 0.090 10 0 "[ . 1 . 2]" 1
1090 1 21 HIS HE1 1 47 VAL HB 4.680 . 5.380 4.972 4.270 5.599 0.219 4 0 "[ . 1 . 2]" 1
1091 1 75 TYR HD2 1 126 LEU MD1 3.660 . 4.210 2.833 2.326 3.421 . 0 0 "[ . 1 . 2]" 1
1092 1 129 PHE QD 1 143 TRP HE3 3.920 . 4.510 3.364 2.467 4.540 0.030 11 0 "[ . 1 . 2]" 1
1093 1 25 ALA MB 1 60 TRP HE3 4.130 . 4.600 2.636 2.023 3.425 . 0 0 "[ . 1 . 2]" 1
1094 1 80 ILE MD 1 134 ILE MD 4.000 . 4.600 4.471 4.141 4.775 0.175 10 0 "[ . 1 . 2]" 1
1095 1 17 LEU MD1 1 47 VAL MG2 5.160 . 5.930 3.990 3.077 5.018 . 0 0 "[ . 1 . 2]" 1
1096 1 47 VAL MG2 1 57 LEU MD2 5.500 . 6.330 4.512 3.829 5.368 . 0 0 "[ . 1 . 2]" 1
1097 1 114 VAL MG1 1 119 LEU MD1 3.940 . 4.530 4.233 3.541 4.667 0.137 4 0 "[ . 1 . 2]" 1
1098 1 121 VAL MG1 1 154 LEU MD2 5.500 . 6.330 5.489 4.989 5.996 . 0 0 "[ . 1 . 2]" 1
1099 1 150 VAL MG1 1 154 LEU MD2 5.320 . 6.120 5.548 4.858 6.156 0.036 19 0 "[ . 1 . 2]" 1
1100 1 92 ILE MD 1 98 LEU QD 5.330 . 6.130 4.041 3.313 4.569 . 0 0 "[ . 1 . 2]" 1
1101 1 114 VAL MG1 1 119 LEU MD2 4.700 . 5.400 3.822 3.221 4.328 . 0 0 "[ . 1 . 2]" 1
1102 1 168 LEU MD1 1 172 LEU MD2 3.390 . 3.900 3.520 2.890 4.015 0.115 20 0 "[ . 1 . 2]" 1
1103 1 98 LEU QD 1 126 LEU MD2 4.670 . 5.370 3.972 3.348 4.257 . 0 0 "[ . 1 . 2]" 1
1104 1 17 LEU MD1 1 47 VAL MG1 5.150 . 5.920 3.539 2.647 4.416 . 0 0 "[ . 1 . 2]" 1
1105 1 40 LEU MD1 1 58 ILE MD 5.010 . 5.760 3.799 1.872 5.370 . 0 0 "[ . 1 . 2]" 1
1106 1 151 ILE MD 1 154 LEU MD1 4.920 . 5.660 4.951 4.391 5.478 . 0 0 "[ . 1 . 2]" 1
1107 1 40 LEU MD2 1 58 ILE MD 5.010 . 5.760 3.299 2.075 4.951 . 0 0 "[ . 1 . 2]" 1
1108 1 168 LEU MD2 1 172 LEU MD2 3.900 . 4.490 2.449 1.869 3.862 . 0 0 "[ . 1 . 2]" 1
1109 1 90 LEU MD2 1 126 LEU MD1 4.970 . 5.720 4.606 4.114 5.488 . 0 0 "[ . 1 . 2]" 1
1110 1 92 ILE MD 1 126 LEU MD1 4.780 . 5.500 4.758 4.141 5.555 0.055 5 0 "[ . 1 . 2]" 1
1111 1 150 VAL MG2 1 154 LEU MD1 5.070 . 5.830 3.856 3.314 4.728 . 0 0 "[ . 1 . 2]" 1
1112 1 147 ILE MD 1 150 VAL MG1 5.060 . 5.820 3.892 3.172 5.690 . 0 0 "[ . 1 . 2]" 1
1113 1 150 VAL MG1 1 151 ILE MD 4.360 . 5.010 5.329 5.046 5.525 0.515 10 1 "[ . + . 2]" 1
1114 1 161 ILE MD 1 168 LEU MD2 4.360 . 5.010 4.248 3.431 4.855 . 0 0 "[ . 1 . 2]" 1
1115 1 150 VAL MG1 1 154 LEU MD1 5.500 . 6.330 5.659 4.896 6.286 . 0 0 "[ . 1 . 2]" 1
1116 1 98 LEU QD 1 126 LEU MD1 5.500 . 6.330 5.043 4.532 5.444 . 0 0 "[ . 1 . 2]" 1
1117 1 17 LEU MD2 1 57 LEU MD2 4.610 . 5.300 4.532 3.796 5.181 . 0 0 "[ . 1 . 2]" 1
1118 1 47 VAL MG2 1 57 LEU MD1 4.980 . 5.730 2.614 1.925 3.487 . 0 0 "[ . 1 . 2]" 1
1119 1 121 VAL MG1 1 151 ILE MD 4.000 . 4.600 2.976 2.303 3.671 . 0 0 "[ . 1 . 2]" 1
1120 1 40 LEU MD1 1 57 LEU MD1 3.570 . 4.110 2.646 1.693 4.016 0.107 2 0 "[ . 1 . 2]" 1
1121 1 168 LEU MD2 1 172 LEU MD1 4.560 . 5.240 2.800 1.849 3.987 . 0 0 "[ . 1 . 2]" 1
1122 1 92 ILE MD 1 119 LEU MD1 5.180 . 5.960 5.394 4.873 5.942 . 0 0 "[ . 1 . 2]" 1
1123 1 17 LEU MD1 1 53 ILE MD 4.190 . 4.820 3.610 2.765 4.493 . 0 0 "[ . 1 . 2]" 1
1124 1 40 LEU MD2 1 57 LEU MD2 3.710 . 4.270 3.195 1.874 4.033 . 0 0 "[ . 1 . 2]" 1
1125 1 40 LEU MD1 1 57 LEU MD2 3.710 . 4.270 2.459 1.945 4.329 0.059 4 0 "[ . 1 . 2]" 1
1126 1 17 LEU MD2 1 57 LEU MD1 3.100 . 3.570 2.567 1.852 3.392 . 0 0 "[ . 1 . 2]" 1
1127 1 17 LEU MD1 1 57 LEU MD1 3.610 . 4.150 2.602 1.958 3.883 . 0 0 "[ . 1 . 2]" 1
1128 1 121 VAL MG2 1 154 LEU MD1 3.190 . 3.670 2.029 1.793 2.487 0.007 20 0 "[ . 1 . 2]" 1
1129 1 124 ILE MD 1 154 LEU MD1 2.800 . 3.220 1.945 1.685 2.360 0.115 4 0 "[ . 1 . 2]" 1
1130 1 84 VAL MG2 1 90 LEU MD1 4.740 . 5.450 4.539 4.000 5.094 . 0 0 "[ . 1 . 2]" 1
1131 1 84 VAL MG1 1 90 LEU MD2 2.760 . 3.170 2.037 1.855 2.187 . 0 0 "[ . 1 . 2]" 1
1132 1 17 LEU MD2 1 47 VAL MG2 3.060 . 3.520 2.384 1.832 3.359 . 0 0 "[ . 1 . 2]" 1
1133 1 102 LEU QD 1 114 VAL MG1 4.500 . 5.180 3.363 2.128 4.530 . 0 0 "[ . 1 . 2]" 1
1134 1 90 LEU MD1 1 126 LEU MD1 3.500 . 4.030 2.535 2.073 3.476 . 0 0 "[ . 1 . 2]" 1
1135 1 90 LEU MD1 1 126 LEU MD2 3.230 . 3.710 2.084 1.841 2.442 . 0 0 "[ . 1 . 2]" 1
1136 1 90 LEU MD2 1 126 LEU MD2 3.760 . 4.320 3.783 3.177 4.395 0.075 11 0 "[ . 1 . 2]" 1
1137 1 168 LEU MD2 1 171 LEU MD2 4.100 . 4.720 4.374 3.317 4.788 0.068 5 0 "[ . 1 . 2]" 1
1138 1 168 LEU MD1 1 171 LEU MD1 4.770 . 5.490 4.669 4.116 5.292 . 0 0 "[ . 1 . 2]" 1
1139 1 150 VAL MG2 1 151 ILE MD 3.140 . 3.610 3.553 3.344 3.664 0.054 9 0 "[ . 1 . 2]" 1
1140 1 53 ILE MD 1 57 LEU MD1 3.770 . 4.340 4.177 2.763 4.440 0.100 9 0 "[ . 1 . 2]" 1
1141 1 17 LEU MD2 1 53 ILE MD 3.590 . 4.130 2.597 1.973 3.931 . 0 0 "[ . 1 . 2]" 1
1142 1 47 VAL MG1 1 53 ILE MD 3.220 . 3.700 2.289 1.818 2.914 . 0 0 "[ . 1 . 2]" 1
1143 1 80 ILE MD 1 90 LEU MD1 5.260 . 6.050 5.103 4.093 6.134 0.084 15 0 "[ . 1 . 2]" 1
1144 1 90 LEU MD1 1 92 ILE MD 4.990 . 5.740 4.936 4.202 5.720 . 0 0 "[ . 1 . 2]" 1
1145 1 161 ILE MD 1 168 LEU MD1 4.170 . 4.800 3.920 2.789 4.855 0.055 1 0 "[ . 1 . 2]" 1
1146 1 17 LEU MD2 1 47 VAL MG1 2.910 . 3.350 2.235 1.979 2.950 . 0 0 "[ . 1 . 2]" 1
1147 1 40 LEU MD2 1 57 LEU MD1 3.570 . 4.110 3.183 1.939 4.256 0.146 13 0 "[ . 1 . 2]" 1
1148 1 102 LEU QD 1 126 LEU MD1 5.500 . 6.330 5.660 5.062 6.016 . 0 0 "[ . 1 . 2]" 1
1149 1 92 ILE MD 1 126 LEU MD2 2.930 . 3.370 2.572 1.915 3.458 0.088 6 0 "[ . 1 . 2]" 1
1150 1 121 VAL MG2 1 154 LEU MD2 4.070 . 4.680 4.183 3.812 4.705 0.025 2 0 "[ . 1 . 2]" 1
1151 1 121 VAL MG1 1 154 LEU MD1 3.550 . 4.080 3.210 2.512 3.923 . 0 0 "[ . 1 . 2]" 1
1152 1 114 VAL MG2 1 119 LEU MD2 3.770 . 4.340 2.159 1.779 3.299 0.021 17 0 "[ . 1 . 2]" 1
1153 1 168 LEU MD1 1 171 LEU MD2 4.550 . 5.230 5.149 4.567 5.479 0.249 14 0 "[ . 1 . 2]" 1
1154 1 14 GLN H 1 14 GLN QB 2.760 . 3.170 2.653 2.192 3.125 . 0 0 "[ . 1 . 2]" 1
1155 1 14 GLN QB 1 15 GLU H 3.410 . 3.920 3.446 2.148 4.051 0.131 3 0 "[ . 1 . 2]" 1
1156 1 17 LEU MD1 1 53 ILE QG 3.360 . 3.860 3.377 1.851 4.191 0.331 13 0 "[ . 1 . 2]" 1
1157 1 38 ASN QB 1 39 MET H 3.380 . 3.890 2.187 2.024 2.361 . 0 0 "[ . 1 . 2]" 1
1158 1 40 LEU QD 1 47 VAL MG1 4.690 . 5.390 3.916 3.119 4.431 . 0 0 "[ . 1 . 2]" 1
1159 1 40 LEU QD 1 57 LEU MD2 3.230 . 3.710 2.062 1.872 2.555 . 0 0 "[ . 1 . 2]" 1
1160 1 40 LEU QD 1 58 ILE MD 4.390 . 5.050 2.897 1.850 4.227 . 0 0 "[ . 1 . 2]" 1
1161 1 41 LYS H 1 41 LYS QB 3.100 . 3.570 2.320 2.151 2.592 . 0 0 "[ . 1 . 2]" 1
1162 1 41 LYS QB 1 42 THR H 3.400 . 3.910 2.951 2.488 3.701 . 0 0 "[ . 1 . 2]" 1
1163 1 41 LYS QB 1 49 PHE HZ 4.820 . 5.540 4.550 3.950 5.187 . 0 0 "[ . 1 . 2]" 1
1164 1 41 LYS QB 1 49 PHE HE2 4.470 . 5.140 4.178 3.523 4.894 . 0 0 "[ . 1 . 2]" 1
1165 1 43 TYR QB 1 43 TYR HE2 4.740 . 5.450 4.333 4.304 4.364 . 0 0 "[ . 1 . 2]" 1
1166 1 44 PHE H 1 44 PHE QB 3.590 . 4.130 2.479 2.381 2.549 . 0 0 "[ . 1 . 2]" 1
1167 1 44 PHE QB 1 45 SER H 4.200 . 4.830 3.851 3.620 3.952 . 0 0 "[ . 1 . 2]" 1
1168 1 44 PHE QB 1 47 VAL MG1 4.580 . 5.270 3.415 3.005 3.956 . 0 0 "[ . 1 . 2]" 1
1169 1 44 PHE QB 1 47 VAL MG2 3.930 . 4.520 2.074 1.758 2.404 0.042 18 0 "[ . 1 . 2]" 1
1170 1 44 PHE QB 1 49 PHE HZ 3.820 . 4.390 2.279 1.771 3.042 0.029 3 0 "[ . 1 . 2]" 1
1171 1 45 SER H 1 45 SER QB 3.550 . 4.080 2.454 2.193 2.859 . 0 0 "[ . 1 . 2]" 1
1172 1 45 SER QB 1 46 ASP H 4.130 . 4.750 3.141 2.619 3.765 . 0 0 "[ . 1 . 2]" 1
1173 1 46 ASP H 1 46 ASP QB 3.580 . 4.120 2.459 2.105 2.991 . 0 0 "[ . 1 . 2]" 1
1174 1 46 ASP QB 1 47 VAL H 4.160 . 4.780 3.211 2.533 3.862 . 0 0 "[ . 1 . 2]" 1
1175 1 46 ASP QB 1 47 VAL MG2 4.580 . 5.270 3.482 2.607 4.414 . 0 0 "[ . 1 . 2]" 1
1176 1 47 VAL MG1 1 53 ILE QG 4.210 . 4.840 3.081 2.256 3.864 . 0 0 "[ . 1 . 2]" 1
1177 1 48 LYS H 1 48 LYS QB 3.110 . 3.580 2.554 2.137 3.347 . 0 0 "[ . 1 . 2]" 1
1178 1 48 LYS QB 1 49 PHE H 3.460 . 3.980 3.194 2.452 4.049 0.069 15 0 "[ . 1 . 2]" 1
1179 1 49 PHE H 1 49 PHE QB 3.610 . 4.150 3.109 2.466 3.547 . 0 0 "[ . 1 . 2]" 1
1180 1 50 ASN H 1 53 ILE QG 4.230 . 4.860 2.713 1.962 4.868 0.008 15 0 "[ . 1 . 2]" 1
1181 1 72 MET ME 1 91 SER QB 4.200 . 4.830 2.848 2.066 3.487 . 0 0 "[ . 1 . 2]" 1
1182 1 74 LYS H 1 74 LYS QB 3.290 . 3.780 2.288 2.163 2.536 . 0 0 "[ . 1 . 2]" 1
1183 1 74 LYS QB 1 75 TYR H 3.820 . 4.390 2.575 2.271 3.033 . 0 0 "[ . 1 . 2]" 1
1184 1 74 LYS QB 1 75 TYR HD1 3.900 . 4.490 3.676 3.007 4.293 . 0 0 "[ . 1 . 2]" 1
1185 1 74 LYS QB 1 75 TYR HE1 4.160 . 4.780 4.386 3.919 4.952 0.172 15 0 "[ . 1 . 2]" 1
1186 1 75 TYR H 1 75 TYR QB 3.660 . 4.210 2.439 2.280 2.580 . 0 0 "[ . 1 . 2]" 1
1187 1 75 TYR H 1 78 GLN QB 4.830 . 5.550 4.653 4.414 5.208 . 0 0 "[ . 1 . 2]" 1
1188 1 75 TYR QB 1 75 TYR HE2 4.570 . 5.260 4.337 4.300 4.366 . 0 0 "[ . 1 . 2]" 1
1189 1 75 TYR QB 1 76 ALA H 4.020 . 4.620 2.509 2.299 2.629 . 0 0 "[ . 1 . 2]" 1
1190 1 75 TYR QB 1 76 ALA MB 4.040 . 4.650 3.774 3.602 3.943 . 0 0 "[ . 1 . 2]" 1
1191 1 75 TYR QB 1 90 LEU MD1 4.110 . 4.730 2.086 1.709 2.690 0.091 5 0 "[ . 1 . 2]" 1
1192 1 75 TYR QB 1 126 LEU MD1 4.020 . 4.620 2.043 1.804 2.448 . 0 0 "[ . 1 . 2]" 1
1193 1 75 TYR QB 1 126 LEU MD2 4.410 . 5.070 2.998 2.192 3.473 . 0 0 "[ . 1 . 2]" 1
1194 1 75 TYR HD1 1 78 GLN QB 4.240 . 4.880 4.011 3.462 4.821 . 0 0 "[ . 1 . 2]" 1
1195 1 75 TYR HE2 1 91 SER QB 3.930 . 4.520 3.096 2.369 4.204 . 0 0 "[ . 1 . 2]" 1
1196 1 75 TYR HD2 1 91 SER QB 4.260 . 4.900 2.672 2.117 3.387 . 0 0 "[ . 1 . 2]" 1
1197 1 76 ALA H 1 78 GLN QB 4.990 . 5.740 4.849 4.505 5.420 . 0 0 "[ . 1 . 2]" 1
1198 1 78 GLN H 1 78 GLN QB 2.970 . 3.420 2.276 2.221 2.484 . 0 0 "[ . 1 . 2]" 1
1199 1 78 GLN QB 1 79 ALA H 3.240 . 3.730 2.675 2.443 2.979 . 0 0 "[ . 1 . 2]" 1
1200 1 80 ILE MG 1 81 ASN QB 4.790 . 5.510 3.884 3.353 4.656 . 0 0 "[ . 1 . 2]" 1
1201 1 80 ILE MD 1 130 PHE QB 3.840 . 4.420 3.562 2.119 4.101 . 0 0 "[ . 1 . 2]" 1
1202 1 81 ASN H 1 81 ASN QB 3.070 . 3.530 2.256 2.215 2.298 . 0 0 "[ . 1 . 2]" 1
1203 1 84 VAL MG1 1 89 GLU QB 3.230 . 3.710 2.527 2.004 2.993 . 0 0 "[ . 1 . 2]" 1
1204 1 84 VAL MG1 1 90 LEU QB 4.850 . 5.580 4.352 3.322 5.043 . 0 0 "[ . 1 . 2]" 1
1205 1 84 VAL MG2 1 89 GLU QB 4.520 . 5.200 4.143 3.558 4.887 . 0 0 "[ . 1 . 2]" 1
1206 1 86 SER H 1 86 SER QB 3.080 . 3.540 2.672 2.526 2.838 . 0 0 "[ . 1 . 2]" 1
1207 1 86 SER QB 1 89 GLU H 4.150 . 4.770 3.607 3.179 4.300 . 0 0 "[ . 1 . 2]" 1
1208 1 86 SER QB 1 90 LEU MD2 4.420 . 5.080 4.274 3.983 4.660 . 0 0 "[ . 1 . 2]" 1
1209 1 87 THR MG 1 130 PHE QB 4.180 . 4.810 2.328 1.826 3.260 . 0 0 "[ . 1 . 2]" 1
1210 1 88 GLU H 1 88 GLU QB 2.980 . 3.430 2.495 2.221 2.865 . 0 0 "[ . 1 . 2]" 1
1211 1 88 GLU QB 1 89 GLU H 4.440 . 5.110 3.608 3.247 3.970 . 0 0 "[ . 1 . 2]" 1
1212 1 89 GLU H 1 89 GLU QB 2.770 . 3.190 2.408 2.288 2.538 . 0 0 "[ . 1 . 2]" 1
1213 1 89 GLU QB 1 90 LEU H 3.520 . 4.050 3.051 2.598 3.365 . 0 0 "[ . 1 . 2]" 1
1214 1 89 GLU QB 1 90 LEU MD2 3.440 . 3.960 2.368 1.966 3.434 . 0 0 "[ . 1 . 2]" 1
1215 1 90 LEU QB 1 90 LEU MD1 3.080 . 3.540 2.146 2.108 2.272 . 0 0 "[ . 1 . 2]" 1
1216 1 90 LEU QB 1 90 LEU MD2 2.890 . 3.320 2.327 2.143 2.482 . 0 0 "[ . 1 . 2]" 1
1217 1 90 LEU QB 1 91 SER H 3.480 . 4.000 2.568 1.685 3.586 0.115 11 0 "[ . 1 . 2]" 1
1218 1 90 LEU QB 1 126 LEU MD2 4.100 . 4.720 2.892 1.669 4.408 0.131 16 0 "[ . 1 . 2]" 1
1219 1 91 SER QB 1 98 LEU QD 3.850 . 4.430 2.302 1.742 2.977 0.058 13 0 "[ . 1 . 2]" 1
1220 1 91 SER QB 1 126 LEU MD1 4.580 . 5.270 3.345 2.487 4.568 . 0 0 "[ . 1 . 2]" 1
1221 1 91 SER QB 1 126 LEU MD2 4.410 . 5.070 2.068 1.597 3.380 0.203 8 0 "[ . 1 . 2]" 1
1222 1 95 ASP H 1 95 ASP QB 3.230 . 3.710 2.721 2.227 3.370 . 0 0 "[ . 1 . 2]" 1
1223 1 98 LEU QD 1 102 LEU QB 4.110 . 4.730 3.860 3.687 4.155 . 0 0 "[ . 1 . 2]" 1
1224 1 102 LEU H 1 102 LEU QB 3.560 . 4.090 2.528 2.424 2.671 . 0 0 "[ . 1 . 2]" 1
1225 1 102 LEU QB 1 103 ASN H 4.210 . 4.840 2.661 2.370 2.952 . 0 0 "[ . 1 . 2]" 1
1226 1 102 LEU QB 1 104 MET H 5.340 . 6.140 5.018 4.710 5.306 . 0 0 "[ . 1 . 2]" 1
1227 1 102 LEU QB 1 106 TYR QD 4.210 . 4.840 2.808 2.294 3.230 . 0 0 "[ . 1 . 2]" 1
1228 1 105 HIS QB 1 106 TYR H 4.180 . 4.810 2.572 2.385 2.933 . 0 0 "[ . 1 . 2]" 1
1229 1 108 LYS H 1 108 LYS QB 2.850 . 3.280 2.557 2.135 3.420 0.140 12 0 "[ . 1 . 2]" 1
1230 1 108 LYS QB 1 109 ALA H 3.430 . 3.940 3.100 2.168 4.043 0.103 1 0 "[ . 1 . 2]" 1
1231 1 108 LYS QB 1 110 ASN H 5.160 . 5.930 4.411 2.449 5.187 . 0 0 "[ . 1 . 2]" 1
1232 1 109 ALA H 1 110 ASN QB 5.340 . 6.140 4.785 3.745 5.616 . 0 0 "[ . 1 . 2]" 1
1233 1 110 ASN H 1 110 ASN QB 3.300 . 3.800 2.558 2.220 3.396 . 0 0 "[ . 1 . 2]" 1
1234 1 110 ASN H 1 111 ASP QB 5.280 . 6.070 5.156 4.288 6.020 . 0 0 "[ . 1 . 2]" 1
1235 1 110 ASN QB 1 111 ASP H 4.270 . 4.910 3.633 1.970 4.099 . 0 0 "[ . 1 . 2]" 1
1236 1 111 ASP H 1 111 ASP QB 3.220 . 3.700 2.338 2.170 3.187 . 0 0 "[ . 1 . 2]" 1
1237 1 111 ASP QB 1 112 PHE H 3.170 . 3.650 2.813 2.102 3.908 0.258 16 0 "[ . 1 . 2]" 1
1238 1 112 PHE QB 1 113 GLU H 4.090 . 4.700 3.196 2.207 4.205 . 0 0 "[ . 1 . 2]" 1
1239 1 113 GLU H 1 113 GLU QB 3.020 . 3.470 2.677 2.274 3.457 . 0 0 "[ . 1 . 2]" 1
1240 1 114 VAL MG1 1 118 PHE QB 4.250 . 4.890 3.113 2.153 3.599 . 0 0 "[ . 1 . 2]" 1
1241 1 118 PHE H 1 118 PHE QB 3.550 . 4.080 2.349 2.205 2.593 . 0 0 "[ . 1 . 2]" 1
1242 1 118 PHE QB 1 119 LEU H 4.390 . 5.050 2.638 2.346 2.956 . 0 0 "[ . 1 . 2]" 1
1243 1 118 PHE QB 1 119 LEU MD1 4.100 . 4.720 3.824 3.177 4.229 . 0 0 "[ . 1 . 2]" 1
1244 1 118 PHE QB 1 119 LEU MD2 3.430 . 3.940 2.446 2.108 2.795 . 0 0 "[ . 1 . 2]" 1
1245 1 124 ILE H 1 124 ILE QG 3.220 . 3.700 2.286 2.024 2.456 . 0 0 "[ . 1 . 2]" 1
1246 1 130 PHE H 1 130 PHE QB 3.570 . 4.110 2.248 2.201 2.312 . 0 0 "[ . 1 . 2]" 1
1247 1 130 PHE QB 1 131 ASN H 3.880 . 4.460 2.406 2.215 3.513 . 0 0 "[ . 1 . 2]" 1
1248 1 130 PHE QB 1 134 ILE MG 4.240 . 4.880 4.302 3.796 4.450 . 0 0 "[ . 1 . 2]" 1
1249 1 131 ASN H 1 131 ASN QB 3.070 . 3.530 2.243 2.204 2.287 . 0 0 "[ . 1 . 2]" 1
1250 1 131 ASN QB 1 132 ALA H 3.550 . 4.080 2.636 2.480 2.914 . 0 0 "[ . 1 . 2]" 1
1251 1 131 ASN QB 1 134 ILE MD 5.220 . 6.000 5.782 5.523 6.010 0.010 8 0 "[ . 1 . 2]" 1
1252 1 138 ASP H 1 138 ASP QB 3.060 . 3.520 2.495 2.206 2.992 . 0 0 "[ . 1 . 2]" 1
1253 1 138 ASP QB 1 139 VAL H 3.810 . 4.380 3.642 2.938 4.082 . 0 0 "[ . 1 . 2]" 1
1254 1 138 ASP QB 1 140 ASP H 5.160 . 5.930 4.641 3.493 5.149 . 0 0 "[ . 1 . 2]" 1
1255 1 142 SER H 1 142 SER QB 2.980 . 3.430 2.506 2.252 2.758 . 0 0 "[ . 1 . 2]" 1
1256 1 142 SER QB 1 143 TRP H 4.310 . 4.960 3.416 2.521 3.919 . 0 0 "[ . 1 . 2]" 1
1257 1 145 LYS H 1 145 LYS QB 2.930 . 3.370 2.373 2.181 2.700 . 0 0 "[ . 1 . 2]" 1
1258 1 145 LYS QB 1 146 ALA H 3.200 . 3.680 2.910 2.448 3.720 0.040 19 0 "[ . 1 . 2]" 1
1259 1 145 LYS QB 1 148 TYR HD2 4.260 . 4.900 3.949 3.130 4.984 0.084 1 0 "[ . 1 . 2]" 1
1260 1 147 ILE H 1 147 ILE QG 3.350 . 3.850 2.715 1.877 3.580 . 0 0 "[ . 1 . 2]" 1
1261 1 147 ILE QG 1 148 TYR H 4.460 . 5.130 4.154 3.453 4.601 . 0 0 "[ . 1 . 2]" 1
1262 1 147 ILE QG 1 151 ILE MD 5.100 . 5.870 4.665 4.294 5.118 . 0 0 "[ . 1 . 2]" 1
1263 1 150 VAL H 1 152 CYS QB 4.880 . 5.610 5.111 4.622 5.758 0.148 3 0 "[ . 1 . 2]" 1
1264 1 151 ILE MD 1 152 CYS QB 4.980 . 5.730 4.646 3.428 5.201 . 0 0 "[ . 1 . 2]" 1
1265 1 152 CYS H 1 152 CYS QB 3.370 . 3.880 2.363 2.225 2.546 . 0 0 "[ . 1 . 2]" 1
1266 1 152 CYS QB 1 153 LYS H 3.400 . 3.910 3.179 2.697 3.804 . 0 0 "[ . 1 . 2]" 1
1267 1 156 SER H 1 156 SER QB 3.380 . 3.890 2.695 2.331 3.196 . 0 0 "[ . 1 . 2]" 1
1268 1 156 SER QB 1 157 GLU H 3.360 . 3.860 2.831 1.875 4.047 0.187 9 0 "[ . 1 . 2]" 1
1269 1 157 GLU QB 1 158 VAL H 3.720 . 4.280 2.713 1.987 3.837 . 0 0 "[ . 1 . 2]" 1
1270 1 157 GLU QB 1 158 VAL MG2 4.440 . 5.110 4.000 3.010 4.934 . 0 0 "[ . 1 . 2]" 1
1271 1 158 VAL MG2 1 159 PRO QB 4.810 . 5.530 4.796 4.201 5.536 0.006 13 0 "[ . 1 . 2]" 1
1272 1 160 GLU H 1 160 GLU QB 2.940 . 3.380 2.509 2.282 2.996 . 0 0 "[ . 1 . 2]" 1
1273 1 160 GLU QB 1 161 ILE H 3.560 . 4.090 2.878 2.046 3.997 . 0 0 "[ . 1 . 2]" 1
1274 1 161 ILE MG 1 167 CYS QB 3.970 . 4.570 2.890 1.928 3.911 . 0 0 "[ . 1 . 2]" 1
1275 1 161 ILE MD 1 167 CYS QB 3.840 . 4.420 2.662 1.940 3.754 . 0 0 "[ . 1 . 2]" 1
1276 1 164 SER H 1 167 CYS QB 4.150 . 4.770 3.728 2.867 4.459 . 0 0 "[ . 1 . 2]" 1
1277 1 165 PRO QB 1 166 ASN H 3.990 . 4.590 3.226 2.123 3.934 . 0 0 "[ . 1 . 2]" 1
1278 1 166 ASN H 1 166 ASN QB 3.490 . 4.010 2.944 2.390 3.462 . 0 0 "[ . 1 . 2]" 1
1279 1 166 ASN QB 1 167 CYS H 4.440 . 5.110 3.519 2.760 3.940 . 0 0 "[ . 1 . 2]" 1
1280 1 166 ASN QB 1 169 GLN H 5.340 . 6.140 4.839 3.890 5.711 . 0 0 "[ . 1 . 2]" 1
1281 1 167 CYS QB 1 168 LEU H 3.360 . 3.860 2.884 2.454 3.271 . 0 0 "[ . 1 . 2]" 1
1282 1 167 CYS QB 1 168 LEU MD1 4.570 . 5.260 4.545 3.955 5.687 0.427 1 0 "[ . 1 . 2]" 1
1283 1 167 CYS QB 1 169 GLN H 5.340 . 6.140 4.693 4.426 5.045 . 0 0 "[ . 1 . 2]" 1
1284 1 167 CYS QB 1 171 LEU MD2 5.240 . 6.030 5.004 3.771 5.876 . 0 0 "[ . 1 . 2]" 1
1285 1 169 GLN H 1 169 GLN QB 2.590 . 2.980 2.212 2.159 2.285 . 0 0 "[ . 1 . 2]" 1
1286 1 170 GLU QB 1 171 LEU H 3.320 . 3.820 2.913 2.517 3.417 . 0 0 "[ . 1 . 2]" 1
1287 1 172 LEU H 1 172 LEU QB 2.790 . 3.210 2.526 2.175 3.220 0.010 12 0 "[ . 1 . 2]" 1
1288 1 172 LEU QB 1 172 LEU MD2 2.650 . 3.050 2.205 2.119 2.417 . 0 0 "[ . 1 . 2]" 1
1289 1 72 MET ME 1 122 ALA MB 4.000 . 4.600 3.018 2.393 3.829 . 0 0 "[ . 1 . 2]" 1
1290 1 72 MET ME 1 125 THR MG 4.000 . 4.600 3.392 2.244 3.943 . 0 0 "[ . 1 . 2]" 1
1291 1 75 TYR QD 1 126 LEU MD1 4.000 . 4.600 2.818 2.323 3.380 . 0 0 "[ . 1 . 2]" 1
1292 1 75 TYR QD 1 98 LEU QD 4.000 . 4.600 4.277 3.130 4.689 0.089 11 0 "[ . 1 . 2]" 1
1293 1 99 TYR QD 1 119 LEU MD2 4.000 . 4.600 4.030 3.251 4.859 0.259 17 0 "[ . 1 . 2]" 1
1294 1 99 TYR QE 1 119 LEU MD2 4.000 . 4.600 3.027 2.245 3.579 . 0 0 "[ . 1 . 2]" 1
1295 1 76 ALA MB 1 126 LEU MD1 4.000 . 4.600 2.347 1.904 2.957 . 0 0 "[ . 1 . 2]" 1
1296 1 27 LEU MD2 1 114 VAL MG1 5.000 . 5.750 4.487 2.211 5.857 0.107 9 0 "[ . 1 . 2]" 1
1297 1 64 PHE QD 1 106 TYR QE 4.000 . 4.600 3.948 2.261 4.721 0.121 9 0 "[ . 1 . 2]" 1
1298 1 67 PHE QD 1 106 TYR QE 4.000 . 4.600 3.227 1.669 4.760 0.160 15 0 "[ . 1 . 2]" 1
1299 1 30 PHE QD 1 118 PHE QD 4.000 . 4.600 3.331 2.487 4.083 . 0 0 "[ . 1 . 2]" 1
1300 1 112 PHE QE 1 162 PHE QE 4.000 . 4.600 3.703 2.399 4.823 0.223 19 0 "[ . 1 . 2]" 1
1301 1 29 PHE QD 1 61 PHE QD 4.000 . 4.600 3.733 1.896 4.743 0.143 4 0 "[ . 1 . 2]" 1
1302 1 25 ALA MB 1 61 PHE QE 4.000 . 4.600 2.601 1.712 4.890 0.290 17 0 "[ . 1 . 2]" 1
1303 1 49 PHE QE 1 57 LEU MD1 4.000 . 4.600 2.426 1.822 3.594 . 0 0 "[ . 1 . 2]" 1
1304 1 27 LEU MD1 1 162 PHE QE 4.000 . 4.600 3.360 1.891 4.649 0.049 6 0 "[ . 1 . 2]" 1
1305 1 28 MET ME 1 162 PHE QE 4.000 . 4.600 3.834 2.801 4.630 0.030 11 0 "[ . 1 . 2]" 1
1306 1 43 TYR QE 1 158 VAL MG2 4.000 . 4.600 2.896 2.083 3.288 . 0 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 150
_Distance_constraint_stats_list.Viol_count 1653
_Distance_constraint_stats_list.Viol_total 1803.809
_Distance_constraint_stats_list.Viol_max 0.190
_Distance_constraint_stats_list.Viol_rms 0.0381
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0301
_Distance_constraint_stats_list.Viol_average_violations_only 0.0546
_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 20 ASN 1.872 0.134 15 0 "[ . 1 . 2]"
1 21 HIS 0.403 0.049 17 0 "[ . 1 . 2]"
1 22 LEU 1.041 0.104 20 0 "[ . 1 . 2]"
1 23 LYS 2.721 0.153 8 0 "[ . 1 . 2]"
1 24 LYS 2.955 0.134 15 0 "[ . 1 . 2]"
1 25 ALA 1.547 0.107 18 0 "[ . 1 . 2]"
1 26 LYS 3.373 0.178 11 0 "[ . 1 . 2]"
1 27 LEU 2.721 0.153 8 0 "[ . 1 . 2]"
1 28 MET 1.083 0.133 9 0 "[ . 1 . 2]"
1 29 PHE 1.144 0.107 18 0 "[ . 1 . 2]"
1 30 PHE 2.332 0.178 11 0 "[ . 1 . 2]"
1 36 SER 1.123 0.119 14 0 "[ . 1 . 2]"
1 37 SER 2.984 0.119 10 0 "[ . 1 . 2]"
1 38 ASN 0.475 0.052 8 0 "[ . 1 . 2]"
1 39 MET 1.677 0.150 16 0 "[ . 1 . 2]"
1 40 LEU 3.704 0.162 4 0 "[ . 1 . 2]"
1 41 LYS 2.984 0.119 10 0 "[ . 1 . 2]"
1 42 THR 0.475 0.052 8 0 "[ . 1 . 2]"
1 43 TYR 1.677 0.150 16 0 "[ . 1 . 2]"
1 44 PHE 2.580 0.162 4 0 "[ . 1 . 2]"
1 50 ASN 0.160 0.048 18 0 "[ . 1 . 2]"
1 51 ARG 1.409 0.115 16 0 "[ . 1 . 2]"
1 52 CYS 1.825 0.114 10 0 "[ . 1 . 2]"
1 53 ILE 0.852 0.104 18 0 "[ . 1 . 2]"
1 54 THR 0.249 0.048 18 0 "[ . 1 . 2]"
1 55 SER 2.760 0.120 12 0 "[ . 1 . 2]"
1 56 GLN 2.867 0.122 15 0 "[ . 1 . 2]"
1 57 LEU 2.770 0.104 18 0 "[ . 1 . 2]"
1 58 ILE 0.590 0.061 18 0 "[ . 1 . 2]"
1 59 LYS 1.731 0.120 12 0 "[ . 1 . 2]"
1 60 TRP 2.168 0.122 15 0 "[ . 1 . 2]"
1 61 PHE 3.207 0.104 14 0 "[ . 1 . 2]"
1 62 SER 1.523 0.180 17 0 "[ . 1 . 2]"
1 63 ASN 1.562 0.114 18 0 "[ . 1 . 2]"
1 64 PHE 1.363 0.097 15 0 "[ . 1 . 2]"
1 65 ARG 2.366 0.118 19 0 "[ . 1 . 2]"
1 66 GLU 1.137 0.180 17 0 "[ . 1 . 2]"
1 67 PHE 1.704 0.114 18 0 "[ . 1 . 2]"
1 68 TYR 2.723 0.127 2 0 "[ . 1 . 2]"
1 69 TYR 1.574 0.118 19 0 "[ . 1 . 2]"
1 70 ILE 0.759 0.078 7 0 "[ . 1 . 2]"
1 71 GLN 1.314 0.098 3 0 "[ . 1 . 2]"
1 72 MET 4.348 0.127 2 0 "[ . 1 . 2]"
1 73 GLU 0.934 0.106 6 0 "[ . 1 . 2]"
1 74 LYS 1.190 0.083 6 0 "[ . 1 . 2]"
1 75 TYR 1.961 0.093 6 0 "[ . 1 . 2]"
1 76 ALA 4.266 0.169 16 0 "[ . 1 . 2]"
1 77 ARG 0.907 0.106 6 0 "[ . 1 . 2]"
1 78 GLN 0.972 0.083 6 0 "[ . 1 . 2]"
1 79 ALA 3.110 0.190 11 0 "[ . 1 . 2]"
1 80 ILE 2.403 0.169 16 0 "[ . 1 . 2]"
1 81 ASN 0.470 0.084 5 0 "[ . 1 . 2]"
1 82 ASP 0.426 0.074 10 0 "[ . 1 . 2]"
1 83 GLY 1.941 0.190 11 0 "[ . 1 . 2]"
1 96 CYS 1.895 0.181 18 0 "[ . 1 . 2]"
1 97 GLU 1.404 0.164 16 0 "[ . 1 . 2]"
1 98 LEU 0.259 0.052 10 0 "[ . 1 . 2]"
1 99 TYR 1.960 0.153 14 0 "[ . 1 . 2]"
1 100 ARG 3.614 0.181 18 0 "[ . 1 . 2]"
1 101 ALA 2.306 0.164 16 0 "[ . 1 . 2]"
1 102 LEU 1.040 0.087 11 0 "[ . 1 . 2]"
1 103 ASN 4.104 0.174 10 0 "[ . 1 . 2]"
1 104 MET 1.719 0.108 12 0 "[ . 1 . 2]"
1 105 HIS 0.903 0.148 16 0 "[ . 1 . 2]"
1 106 TYR 0.781 0.087 11 0 "[ . 1 . 2]"
1 107 ASN 2.144 0.174 10 0 "[ . 1 . 2]"
1 116 GLU 0.414 0.075 20 0 "[ . 1 . 2]"
1 117 ARG 0.912 0.091 4 0 "[ . 1 . 2]"
1 118 PHE 0.384 0.067 6 0 "[ . 1 . 2]"
1 119 LEU 0.635 0.067 13 0 "[ . 1 . 2]"
1 120 GLU 2.613 0.118 3 0 "[ . 1 . 2]"
1 121 VAL 0.976 0.091 4 0 "[ . 1 . 2]"
1 122 ALA 2.226 0.139 9 0 "[ . 1 . 2]"
1 123 GLN 1.635 0.099 4 0 "[ . 1 . 2]"
1 124 ILE 3.443 0.118 3 0 "[ . 1 . 2]"
1 125 THR 0.299 0.064 16 0 "[ . 1 . 2]"
1 126 LEU 1.963 0.139 9 0 "[ . 1 . 2]"
1 127 ARG 1.729 0.115 6 0 "[ . 1 . 2]"
1 128 GLU 2.883 0.136 20 0 "[ . 1 . 2]"
1 129 PHE 1.722 0.110 15 0 "[ . 1 . 2]"
1 130 PHE 0.667 0.076 5 0 "[ . 1 . 2]"
1 131 ASN 2.714 0.150 12 0 "[ . 1 . 2]"
1 132 ALA 3.589 0.152 8 0 "[ . 1 . 2]"
1 133 ILE 1.487 0.110 15 0 "[ . 1 . 2]"
1 134 ILE 0.547 0.076 5 0 "[ . 1 . 2]"
1 135 ALA 1.986 0.150 12 0 "[ . 1 . 2]"
1 136 GLY 1.950 0.152 8 0 "[ . 1 . 2]"
1 142 SER 0.835 0.092 5 0 "[ . 1 . 2]"
1 143 TRP 1.019 0.109 20 0 "[ . 1 . 2]"
1 144 LYS 0.621 0.089 12 0 "[ . 1 . 2]"
1 145 LYS 1.168 0.100 16 0 "[ . 1 . 2]"
1 146 ALA 2.573 0.131 2 0 "[ . 1 . 2]"
1 147 ILE 4.543 0.169 19 0 "[ . 1 . 2]"
1 148 TYR 2.199 0.127 10 0 "[ . 1 . 2]"
1 149 LYS 3.217 0.180 8 0 "[ . 1 . 2]"
1 150 VAL 1.738 0.131 2 0 "[ . 1 . 2]"
1 151 ILE 3.524 0.169 19 0 "[ . 1 . 2]"
1 152 CYS 1.578 0.127 10 0 "[ . 1 . 2]"
1 153 LYS 2.048 0.180 8 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 20 ASN O 1 24 LYS H 1.900 . 1.990 2.046 1.930 2.124 0.134 15 0 "[ . 1 . 2]" 2
2 1 20 ASN O 1 24 LYS N 2.850 2.710 2.990 3.012 2.896 3.112 0.122 15 0 "[ . 1 . 2]" 2
3 1 21 HIS O 1 25 ALA H 1.900 . 1.990 2.005 1.923 2.039 0.049 17 0 "[ . 1 . 2]" 2
4 1 21 HIS O 1 25 ALA N 2.850 2.710 2.990 2.836 2.715 2.968 . 0 0 "[ . 1 . 2]" 2
5 1 22 LEU O 1 26 LYS H 1.900 . 1.990 2.034 1.984 2.094 0.104 20 0 "[ . 1 . 2]" 2
6 1 22 LEU O 1 26 LYS N 2.850 2.710 2.990 2.958 2.828 3.049 0.059 11 0 "[ . 1 . 2]" 2
7 1 23 LYS O 1 27 LEU H 1.900 . 1.990 2.080 1.985 2.143 0.153 8 0 "[ . 1 . 2]" 2
8 1 23 LYS O 1 27 LEU N 2.850 2.710 2.990 3.027 2.916 3.107 0.117 19 0 "[ . 1 . 2]" 2
9 1 24 LYS O 1 28 MET H 1.900 . 1.990 2.042 1.977 2.123 0.133 9 0 "[ . 1 . 2]" 2
10 1 24 LYS O 1 28 MET N 2.850 2.710 2.990 2.894 2.732 3.006 0.016 11 0 "[ . 1 . 2]" 2
11 1 25 ALA O 1 29 PHE H 1.900 . 1.990 2.034 1.868 2.097 0.107 18 0 "[ . 1 . 2]" 2
12 1 25 ALA O 1 29 PHE N 2.850 2.710 2.990 2.851 2.650 2.995 0.060 11 0 "[ . 1 . 2]" 2
13 1 26 LYS O 1 30 PHE H 1.900 . 1.990 2.092 1.991 2.168 0.178 11 0 "[ . 1 . 2]" 2
14 1 26 LYS O 1 30 PHE N 2.850 2.710 2.990 2.944 2.722 3.132 0.142 14 0 "[ . 1 . 2]" 2
15 1 36 SER O 1 40 LEU H 1.900 . 1.990 2.045 1.969 2.109 0.119 14 0 "[ . 1 . 2]" 2
16 1 36 SER O 1 40 LEU N 2.850 2.710 2.990 2.861 2.791 2.979 . 0 0 "[ . 1 . 2]" 2
17 1 37 SER O 1 41 LYS H 1.900 . 1.990 2.077 2.048 2.109 0.119 10 0 "[ . 1 . 2]" 2
18 1 37 SER O 1 41 LYS N 2.850 2.710 2.990 3.053 3.002 3.097 0.107 10 0 "[ . 1 . 2]" 2
19 1 38 ASN O 1 42 THR H 1.900 . 1.990 2.013 1.983 2.042 0.052 8 0 "[ . 1 . 2]" 2
20 1 38 ASN O 1 42 THR N 2.850 2.710 2.990 2.907 2.776 2.957 . 0 0 "[ . 1 . 2]" 2
21 1 39 MET O 1 43 TYR H 1.900 . 1.990 2.064 1.973 2.140 0.150 16 0 "[ . 1 . 2]" 2
22 1 39 MET O 1 43 TYR N 2.850 2.710 2.990 2.976 2.870 3.057 0.067 16 0 "[ . 1 . 2]" 2
23 1 40 LEU O 1 44 PHE H 1.900 . 1.990 2.106 2.022 2.152 0.162 4 0 "[ . 1 . 2]" 2
24 1 40 LEU O 1 44 PHE N 2.850 2.710 2.990 2.967 2.849 3.053 0.063 12 0 "[ . 1 . 2]" 2
25 1 50 ASN O 1 54 THR H 1.900 . 1.990 1.982 1.914 2.038 0.048 18 0 "[ . 1 . 2]" 2
26 1 50 ASN O 1 54 THR N 2.850 2.710 2.990 2.898 2.853 2.962 . 0 0 "[ . 1 . 2]" 2
27 1 51 ARG O 1 55 SER H 1.900 . 1.990 2.055 1.998 2.105 0.115 16 0 "[ . 1 . 2]" 2
28 1 51 ARG O 1 55 SER N 2.850 2.710 2.990 2.949 2.859 3.044 0.054 16 0 "[ . 1 . 2]" 2
29 1 52 CYS O 1 56 GLN H 1.900 . 1.990 2.061 1.996 2.104 0.114 10 0 "[ . 1 . 2]" 2
30 1 52 CYS O 1 56 GLN N 2.850 2.710 2.990 2.993 2.892 3.053 0.063 6 0 "[ . 1 . 2]" 2
31 1 53 ILE O 1 57 LEU H 1.900 . 1.990 2.029 1.982 2.094 0.104 18 0 "[ . 1 . 2]" 2
32 1 53 ILE O 1 57 LEU N 2.850 2.710 2.990 2.893 2.795 3.033 0.043 18 0 "[ . 1 . 2]" 2
33 1 54 THR O 1 58 ILE H 1.900 . 1.990 1.963 1.893 2.028 0.038 8 0 "[ . 1 . 2]" 2
34 1 54 THR O 1 58 ILE N 2.850 2.710 2.990 2.904 2.831 2.999 0.009 8 0 "[ . 1 . 2]" 2
35 1 55 SER O 1 59 LYS H 1.900 . 1.990 2.058 1.992 2.110 0.120 12 0 "[ . 1 . 2]" 2
36 1 55 SER O 1 59 LYS N 2.850 2.710 2.990 2.869 2.756 2.963 . 0 0 "[ . 1 . 2]" 2
37 1 56 GLN O 1 60 TRP H 1.900 . 1.990 2.033 1.931 2.112 0.122 15 0 "[ . 1 . 2]" 2
38 1 56 GLN O 1 60 TRP N 2.850 2.710 2.990 2.953 2.842 3.019 0.029 15 0 "[ . 1 . 2]" 2
39 1 57 LEU O 1 61 PHE H 1.900 . 1.990 2.053 2.017 2.087 0.097 3 0 "[ . 1 . 2]" 2
40 1 57 LEU O 1 61 PHE N 2.850 2.710 2.990 3.022 2.987 3.072 0.082 3 0 "[ . 1 . 2]" 2
41 1 58 ILE O 1 62 SER H 1.900 . 1.990 1.997 1.925 2.051 0.061 18 0 "[ . 1 . 2]" 2
42 1 58 ILE O 1 62 SER N 2.850 2.710 2.990 2.745 2.671 2.822 0.039 11 0 "[ . 1 . 2]" 2
43 1 59 LYS O 1 63 ASN H 1.900 . 1.990 1.993 1.930 2.047 0.057 20 0 "[ . 1 . 2]" 2
44 1 59 LYS O 1 63 ASN N 2.850 2.710 2.990 2.877 2.673 3.015 0.037 14 0 "[ . 1 . 2]" 2
45 1 60 TRP O 1 64 PHE H 1.900 . 1.990 2.035 1.965 2.087 0.097 15 0 "[ . 1 . 2]" 2
46 1 60 TRP O 1 64 PHE N 2.850 2.710 2.990 2.979 2.878 3.034 0.044 15 0 "[ . 1 . 2]" 2
47 1 61 PHE O 1 65 ARG H 1.900 . 1.990 2.046 1.941 2.094 0.104 14 0 "[ . 1 . 2]" 2
48 1 61 PHE O 1 65 ARG N 2.850 2.710 2.990 2.955 2.853 3.034 0.044 5 0 "[ . 1 . 2]" 2
49 1 62 SER O 1 66 GLU H 1.900 . 1.990 2.031 1.932 2.170 0.180 17 0 "[ . 1 . 2]" 2
50 1 62 SER O 1 66 GLU N 2.850 2.710 2.990 2.927 2.749 3.076 0.086 17 0 "[ . 1 . 2]" 2
51 1 63 ASN O 1 67 PHE H 1.900 . 1.990 2.036 1.889 2.104 0.114 18 0 "[ . 1 . 2]" 2
52 1 63 ASN O 1 67 PHE N 2.850 2.710 2.990 2.933 2.815 3.041 0.051 19 0 "[ . 1 . 2]" 2
53 1 64 PHE O 1 68 TYR H 1.900 . 1.990 1.966 1.843 2.078 0.088 14 0 "[ . 1 . 2]" 2
54 1 64 PHE O 1 68 TYR N 2.850 2.710 2.990 2.899 2.798 2.994 0.004 14 0 "[ . 1 . 2]" 2
55 1 65 ARG O 1 69 TYR H 1.900 . 1.990 2.038 1.936 2.108 0.118 19 0 "[ . 1 . 2]" 2
56 1 65 ARG O 1 69 TYR N 2.850 2.710 2.990 2.950 2.835 3.042 0.052 19 0 "[ . 1 . 2]" 2
57 1 66 GLU O 1 70 ILE H 1.900 . 1.990 1.971 1.899 2.031 0.041 12 0 "[ . 1 . 2]" 2
58 1 66 GLU O 1 70 ILE N 2.850 2.710 2.990 2.904 2.805 2.995 0.005 12 0 "[ . 1 . 2]" 2
59 1 67 PHE O 1 71 GLN H 1.900 . 1.990 2.004 1.929 2.088 0.098 3 0 "[ . 1 . 2]" 2
60 1 67 PHE O 1 71 GLN N 2.850 2.710 2.990 2.847 2.704 2.985 0.006 20 0 "[ . 1 . 2]" 2
61 1 68 TYR O 1 72 MET H 1.900 . 1.990 2.066 2.021 2.117 0.127 2 0 "[ . 1 . 2]" 2
62 1 68 TYR O 1 72 MET N 2.850 2.710 2.990 3.038 2.975 3.105 0.115 2 0 "[ . 1 . 2]" 2
63 1 69 TYR O 1 73 GLU H 1.900 . 1.990 1.989 1.875 2.066 0.076 17 0 "[ . 1 . 2]" 2
64 1 69 TYR O 1 73 GLU N 2.850 2.710 2.990 2.909 2.788 2.998 0.008 16 0 "[ . 1 . 2]" 2
65 1 70 ILE O 1 74 LYS H 1.900 . 1.990 2.017 1.920 2.068 0.078 7 0 "[ . 1 . 2]" 2
66 1 70 ILE O 1 74 LYS N 2.850 2.710 2.990 2.851 2.717 2.984 . 0 0 "[ . 1 . 2]" 2
67 1 71 GLN O 1 75 TYR H 1.900 . 1.990 2.022 1.918 2.070 0.080 16 0 "[ . 1 . 2]" 2
68 1 71 GLN O 1 75 TYR N 2.850 2.710 2.990 2.934 2.806 3.044 0.054 16 0 "[ . 1 . 2]" 2
69 1 72 MET O 1 76 ALA H 1.900 . 1.990 2.057 1.986 2.101 0.111 3 0 "[ . 1 . 2]" 2
70 1 72 MET O 1 76 ALA N 2.850 2.710 2.990 3.001 2.906 3.083 0.093 5 0 "[ . 1 . 2]" 2
71 1 73 GLU O 1 77 ARG H 1.900 . 1.990 1.995 1.889 2.096 0.106 6 0 "[ . 1 . 2]" 2
72 1 73 GLU O 1 77 ARG N 2.850 2.710 2.990 2.910 2.804 3.003 0.013 6 0 "[ . 1 . 2]" 2
73 1 74 LYS O 1 78 GLN H 1.900 . 1.990 2.015 1.973 2.073 0.083 6 0 "[ . 1 . 2]" 2
74 1 74 LYS O 1 78 GLN N 2.850 2.710 2.990 2.892 2.782 2.986 . 0 0 "[ . 1 . 2]" 2
75 1 75 TYR O 1 79 ALA H 1.900 . 1.990 2.048 1.998 2.083 0.093 6 0 "[ . 1 . 2]" 2
76 1 75 TYR O 1 79 ALA N 2.850 2.710 2.990 2.917 2.808 3.001 0.011 12 0 "[ . 1 . 2]" 2
77 1 76 ALA O 1 80 ILE H 1.900 . 1.990 2.069 2.006 2.159 0.169 16 0 "[ . 1 . 2]" 2
78 1 76 ALA O 1 80 ILE N 2.850 2.710 2.990 3.026 2.951 3.112 0.122 16 0 "[ . 1 . 2]" 2
79 1 77 ARG O 1 81 ASN H 1.900 . 1.990 2.008 1.955 2.074 0.084 5 0 "[ . 1 . 2]" 2
80 1 77 ARG O 1 81 ASN N 2.850 2.710 2.990 2.932 2.861 3.003 0.013 5 0 "[ . 1 . 2]" 2
81 1 78 GLN O 1 82 ASP H 1.900 . 1.990 2.002 1.920 2.064 0.074 10 0 "[ . 1 . 2]" 2
82 1 78 GLN O 1 82 ASP N 2.850 2.710 2.990 2.894 2.739 2.946 . 0 0 "[ . 1 . 2]" 2
83 1 79 ALA O 1 83 GLY H 1.900 . 1.990 2.087 1.997 2.180 0.190 11 0 "[ . 1 . 2]" 2
84 1 79 ALA O 1 83 GLY N 2.850 2.710 2.990 2.876 2.813 2.933 . 0 0 "[ . 1 . 2]" 2
85 1 96 CYS O 1 100 ARG H 1.900 . 1.990 2.045 1.912 2.171 0.181 18 0 "[ . 1 . 2]" 2
86 1 96 CYS O 1 100 ARG N 2.850 2.710 2.990 2.994 2.850 3.154 0.164 18 0 "[ . 1 . 2]" 2
87 1 97 GLU O 1 101 ALA H 1.900 . 1.990 2.057 1.959 2.154 0.164 16 0 "[ . 1 . 2]" 2
88 1 97 GLU O 1 101 ALA N 2.850 2.710 2.990 2.867 2.695 2.999 0.015 2 0 "[ . 1 . 2]" 2
89 1 98 LEU O 1 102 LEU H 1.900 . 1.990 1.982 1.916 2.042 0.052 10 0 "[ . 1 . 2]" 2
90 1 98 LEU O 1 102 LEU N 2.850 2.710 2.990 2.939 2.856 3.017 0.027 10 0 "[ . 1 . 2]" 2
91 1 99 TYR O 1 103 ASN H 1.900 . 1.990 2.068 1.992 2.143 0.153 14 0 "[ . 1 . 2]" 2
92 1 99 TYR O 1 103 ASN N 2.850 2.710 2.990 2.989 2.850 3.062 0.072 2 0 "[ . 1 . 2]" 2
93 1 100 ARG O 1 104 MET H 1.900 . 1.990 2.058 2.008 2.098 0.108 12 0 "[ . 1 . 2]" 2
94 1 100 ARG O 1 104 MET N 2.850 2.710 2.990 3.003 2.959 3.042 0.052 4 0 "[ . 1 . 2]" 2
95 1 101 ALA O 1 105 HIS H 1.900 . 1.990 2.030 1.928 2.138 0.148 16 0 "[ . 1 . 2]" 2
96 1 101 ALA O 1 105 HIS N 2.850 2.710 2.990 2.871 2.766 2.983 . 0 0 "[ . 1 . 2]" 2
97 1 102 LEU O 1 106 TYR H 1.900 . 1.990 2.021 1.904 2.077 0.087 11 0 "[ . 1 . 2]" 2
98 1 102 LEU O 1 106 TYR N 2.850 2.710 2.990 2.941 2.822 2.996 0.006 11 0 "[ . 1 . 2]" 2
99 1 103 ASN O 1 107 ASN H 1.900 . 1.990 2.090 2.028 2.164 0.174 10 0 "[ . 1 . 2]" 2
100 1 103 ASN O 1 107 ASN N 2.850 2.710 2.990 2.890 2.760 3.063 0.073 19 0 "[ . 1 . 2]" 2
101 1 116 GLU O 1 120 GLU H 1.900 . 1.990 2.000 1.928 2.065 0.075 20 0 "[ . 1 . 2]" 2
102 1 116 GLU O 1 120 GLU N 2.850 2.710 2.990 2.853 2.683 2.995 0.027 6 0 "[ . 1 . 2]" 2
103 1 117 ARG O 1 121 VAL H 1.900 . 1.990 2.023 1.940 2.081 0.091 4 0 "[ . 1 . 2]" 2
104 1 117 ARG O 1 121 VAL N 2.850 2.710 2.990 2.973 2.866 3.049 0.059 12 0 "[ . 1 . 2]" 2
105 1 118 PHE O 1 122 ALA H 1.900 . 1.990 1.998 1.931 2.057 0.067 6 0 "[ . 1 . 2]" 2
106 1 118 PHE O 1 122 ALA N 2.850 2.710 2.990 2.907 2.787 2.989 . 0 0 "[ . 1 . 2]" 2
107 1 119 LEU O 1 123 GLN H 1.900 . 1.990 2.019 1.963 2.057 0.067 13 0 "[ . 1 . 2]" 2
108 1 119 LEU O 1 123 GLN N 2.850 2.710 2.990 2.906 2.774 3.013 0.023 13 0 "[ . 1 . 2]" 2
109 1 120 GLU O 1 124 ILE H 1.900 . 1.990 2.066 2.034 2.108 0.118 3 0 "[ . 1 . 2]" 2
110 1 120 GLU O 1 124 ILE N 2.850 2.710 2.990 3.024 2.990 3.066 0.076 11 0 "[ . 1 . 2]" 2
111 1 121 VAL O 1 125 THR H 1.900 . 1.990 1.926 1.818 2.009 0.019 14 0 "[ . 1 . 2]" 2
112 1 121 VAL O 1 125 THR N 2.850 2.710 2.990 2.818 2.692 2.933 0.018 10 0 "[ . 1 . 2]" 2
113 1 122 ALA O 1 126 LEU H 1.900 . 1.990 2.059 2.016 2.129 0.139 9 0 "[ . 1 . 2]" 2
114 1 122 ALA O 1 126 LEU N 2.850 2.710 2.990 3.009 2.955 3.053 0.063 9 0 "[ . 1 . 2]" 2
115 1 123 GLN O 1 127 ARG H 1.900 . 1.990 2.030 1.929 2.089 0.099 4 0 "[ . 1 . 2]" 2
116 1 123 GLN O 1 127 ARG N 2.850 2.710 2.990 2.944 2.802 3.047 0.057 4 0 "[ . 1 . 2]" 2
117 1 124 ILE O 1 128 GLU H 1.900 . 1.990 2.051 1.974 2.105 0.115 11 0 "[ . 1 . 2]" 2
118 1 124 ILE O 1 128 GLU N 2.850 2.710 2.990 2.900 2.768 3.003 0.013 8 0 "[ . 1 . 2]" 2
119 1 125 THR O 1 129 PHE H 1.900 . 1.990 1.963 1.857 2.054 0.064 16 0 "[ . 1 . 2]" 2
120 1 125 THR O 1 129 PHE N 2.850 2.710 2.990 2.884 2.710 3.022 0.032 16 0 "[ . 1 . 2]" 2
121 1 126 LEU O 1 130 PHE H 1.900 . 1.990 1.948 1.864 2.041 0.051 15 0 "[ . 1 . 2]" 2
122 1 126 LEU O 1 130 PHE N 2.850 2.710 2.990 2.885 2.794 3.022 0.032 15 0 "[ . 1 . 2]" 2
123 1 127 ARG O 1 131 ASN H 1.900 . 1.990 2.022 1.982 2.105 0.115 6 0 "[ . 1 . 2]" 2
124 1 127 ARG O 1 131 ASN N 2.850 2.710 2.990 2.946 2.873 3.046 0.056 6 0 "[ . 1 . 2]" 2
125 1 128 GLU O 1 132 ALA H 1.900 . 1.990 2.069 2.029 2.126 0.136 20 0 "[ . 1 . 2]" 2
126 1 128 GLU O 1 132 ALA N 2.850 2.710 2.990 2.903 2.772 3.020 0.030 20 0 "[ . 1 . 2]" 2
127 1 129 PHE O 1 133 ILE H 1.900 . 1.990 2.044 1.957 2.100 0.110 15 0 "[ . 1 . 2]" 2
128 1 129 PHE O 1 133 ILE N 2.850 2.710 2.990 2.987 2.891 3.055 0.065 11 0 "[ . 1 . 2]" 2
129 1 130 PHE O 1 134 ILE H 1.900 . 1.990 1.998 1.930 2.066 0.076 5 0 "[ . 1 . 2]" 2
130 1 130 PHE O 1 134 ILE N 2.850 2.710 2.990 2.967 2.898 3.033 0.043 5 0 "[ . 1 . 2]" 2
131 1 131 ASN O 1 135 ALA H 1.900 . 1.990 2.083 2.042 2.140 0.150 12 0 "[ . 1 . 2]" 2
132 1 131 ASN O 1 135 ALA N 2.850 2.710 2.990 2.968 2.881 3.026 0.036 12 0 "[ . 1 . 2]" 2
133 1 132 ALA O 1 136 GLY H 1.900 . 1.990 2.083 2.021 2.142 0.152 8 0 "[ . 1 . 2]" 2
134 1 132 ALA O 1 136 GLY N 2.850 2.710 2.990 2.897 2.761 3.058 0.068 11 0 "[ . 1 . 2]" 2
135 1 142 SER O 1 146 ALA H 1.900 . 1.990 2.024 1.920 2.082 0.092 5 0 "[ . 1 . 2]" 2
136 1 142 SER O 1 146 ALA N 2.850 2.710 2.990 2.900 2.745 2.973 . 0 0 "[ . 1 . 2]" 2
137 1 143 TRP O 1 147 ILE H 1.900 . 1.990 2.018 1.857 2.099 0.109 20 0 "[ . 1 . 2]" 2
138 1 143 TRP O 1 147 ILE N 2.850 2.710 2.990 2.962 2.814 3.052 0.062 6 0 "[ . 1 . 2]" 2
139 1 144 LYS O 1 148 TYR H 1.900 . 1.990 2.000 1.892 2.079 0.089 12 0 "[ . 1 . 2]" 2
140 1 144 LYS O 1 148 TYR N 2.850 2.710 2.990 2.953 2.764 3.056 0.066 12 0 "[ . 1 . 2]" 2
141 1 145 LYS O 1 149 LYS H 1.900 . 1.990 2.048 2.015 2.090 0.100 16 0 "[ . 1 . 2]" 2
142 1 145 LYS O 1 149 LYS N 2.850 2.710 2.990 2.902 2.778 2.996 0.006 17 0 "[ . 1 . 2]" 2
143 1 146 ALA O 1 150 VAL H 1.900 . 1.990 2.061 1.999 2.121 0.131 2 0 "[ . 1 . 2]" 2
144 1 146 ALA O 1 150 VAL N 2.850 2.710 2.990 2.985 2.911 3.081 0.091 2 0 "[ . 1 . 2]" 2
145 1 147 ILE O 1 151 ILE H 1.900 . 1.990 2.109 2.072 2.159 0.169 19 0 "[ . 1 . 2]" 2
146 1 147 ILE O 1 151 ILE N 2.850 2.710 2.990 3.046 2.975 3.090 0.100 1 0 "[ . 1 . 2]" 2
147 1 148 TYR O 1 152 CYS H 1.900 . 1.990 2.066 1.983 2.117 0.127 10 0 "[ . 1 . 2]" 2
148 1 148 TYR O 1 152 CYS N 2.850 2.710 2.990 2.883 2.698 3.013 0.023 5 0 "[ . 1 . 2]" 2
149 1 149 LYS O 1 153 LYS H 1.900 . 1.990 2.092 2.028 2.170 0.180 8 0 "[ . 1 . 2]" 2
150 1 149 LYS O 1 153 LYS N 2.850 2.710 2.990 2.878 2.720 2.999 0.009 3 0 "[ . 1 . 2]" 2
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