NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
602132 |
2mdp   |
19498 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mdp
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 757
_Distance_constraint_stats_list.Viol_count 281
_Distance_constraint_stats_list.Viol_total 252.857
_Distance_constraint_stats_list.Viol_max 0.392
_Distance_constraint_stats_list.Viol_rms 0.0225
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0900
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.000 0.000 . 0 "[ . 1]"
1 8 ASN 0.125 0.064 6 0 "[ . 1]"
1 9 LEU 1.505 0.355 3 0 "[ . 1]"
1 10 ALA 0.000 0.000 . 0 "[ . 1]"
1 11 ALA 0.000 0.000 . 0 "[ . 1]"
1 12 PHE 1.211 0.157 2 0 "[ . 1]"
1 13 LYS 0.532 0.154 4 0 "[ . 1]"
1 14 ALA 0.000 0.000 . 0 "[ . 1]"
1 15 ALA 0.056 0.049 9 0 "[ . 1]"
1 16 THR 0.820 0.154 6 0 "[ . 1]"
1 17 ASN 0.000 0.000 . 0 "[ . 1]"
1 18 LYS 0.089 0.061 5 0 "[ . 1]"
1 19 LEU 1.322 0.257 6 0 "[ . 1]"
1 20 PHE 0.007 0.007 6 0 "[ . 1]"
1 21 GLN 0.089 0.061 5 0 "[ . 1]"
1 22 LEU 0.944 0.172 5 0 "[ . 1]"
1 23 ASP 0.000 0.000 . 0 "[ . 1]"
1 24 LEU 0.539 0.172 5 0 "[ . 1]"
1 25 ALA 0.247 0.163 4 0 "[ . 1]"
1 26 VAL 1.350 0.296 7 0 "[ . 1]"
1 27 ILE 0.189 0.091 2 0 "[ . 1]"
1 28 TYR 0.522 0.127 4 0 "[ . 1]"
1 29 ASP 0.038 0.020 10 0 "[ . 1]"
1 30 ASP 0.771 0.194 8 0 "[ . 1]"
1 34 ALA 0.000 0.000 . 0 "[ . 1]"
1 35 TYR 0.000 0.000 . 0 "[ . 1]"
1 36 THR 0.000 0.000 . 0 "[ . 1]"
1 37 ARG 0.000 0.000 . 0 "[ . 1]"
1 41 ILE 1.243 0.305 9 0 "[ . 1]"
1 42 ARG 0.400 0.194 8 0 "[ . 1]"
1 43 LEU 3.108 0.289 5 0 "[ . 1]"
1 44 ARG 0.226 0.091 2 0 "[ . 1]"
1 45 ILE 0.698 0.111 4 0 "[ . 1]"
1 46 GLU 0.130 0.060 10 0 "[ . 1]"
1 47 ASP 0.743 0.392 3 0 "[ . 1]"
1 48 ARG 0.880 0.392 3 0 "[ . 1]"
1 49 SER 0.209 0.118 4 0 "[ . 1]"
1 50 GLY 0.000 0.000 . 0 "[ . 1]"
1 51 ASN 0.012 0.012 2 0 "[ . 1]"
1 52 LEU 0.012 0.012 2 0 "[ . 1]"
1 53 ILE 0.291 0.125 6 0 "[ . 1]"
1 54 ASP 0.443 0.149 1 0 "[ . 1]"
1 55 THR 0.283 0.131 10 0 "[ . 1]"
1 56 SER 0.056 0.038 2 0 "[ . 1]"
1 57 THR 0.000 0.000 . 0 "[ . 1]"
1 58 PHE 0.220 0.062 6 0 "[ . 1]"
1 59 TYR 0.854 0.256 5 0 "[ . 1]"
1 60 HIS 0.791 0.225 6 0 "[ . 1]"
1 62 ASP 0.708 0.290 8 0 "[ . 1]"
1 63 GLU 1.352 0.336 6 0 "[ . 1]"
1 64 ASP 0.000 0.000 . 0 "[ . 1]"
1 65 VAL 1.409 0.290 8 0 "[ . 1]"
1 66 LEU 2.082 0.336 6 0 "[ . 1]"
1 67 PHE 3.308 0.355 3 0 "[ . 1]"
1 68 ASN 0.000 0.000 . 0 "[ . 1]"
1 69 MET 0.149 0.089 5 0 "[ . 1]"
1 70 CYS 0.000 0.000 . 0 "[ . 1]"
1 71 THR 0.536 0.126 4 0 "[ . 1]"
1 72 ASP 0.000 0.000 . 0 "[ . 1]"
1 73 TRP 3.613 0.341 7 0 "[ . 1]"
1 74 LEU 3.212 0.296 7 0 "[ . 1]"
1 75 ASN 1.213 0.191 5 0 "[ . 1]"
1 76 HIS 2.420 0.341 7 0 "[ . 1]"
1 77 MET 1.802 0.231 10 0 "[ . 1]"
1 78 TYR 3.851 0.311 5 0 "[ . 1]"
1 79 ASP 0.195 0.089 5 0 "[ . 1]"
1 80 GLN 0.000 0.000 . 0 "[ . 1]"
1 81 LEU 0.613 0.178 6 0 "[ . 1]"
1 82 LYS 1.986 0.311 5 0 "[ . 1]"
1 83 ASP 0.418 0.125 8 0 "[ . 1]"
1 84 TRP 0.323 0.178 6 0 "[ . 1]"
1 85 LYS 0.000 0.000 . 0 "[ . 1]"
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 7 GLY QA 1 10 ALA H 4.200 . 6.200 4.057 3.141 5.035 . 0 0 "[ . 1]" 1
2 1 7 GLY QA 1 10 ALA MB 4.000 . 6.000 3.632 2.277 5.266 . 0 0 "[ . 1]" 1
3 1 8 ASN HA 1 67 PHE QB 4.000 . 6.000 5.055 3.670 6.064 0.064 6 0 "[ . 1]" 1
4 1 8 ASN QB 1 67 PHE QD 4.000 . 5.000 3.942 3.122 4.929 . 0 0 "[ . 1]" 1
5 1 9 LEU H 1 9 LEU HG 4.200 . 5.200 2.659 2.164 3.214 . 0 0 "[ . 1]" 1
6 1 9 LEU H 1 10 ALA H 4.400 . 5.400 2.536 1.946 3.163 . 0 0 "[ . 1]" 1
7 1 9 LEU H 1 10 ALA MB 4.200 . 5.200 4.155 3.659 4.729 . 0 0 "[ . 1]" 1
8 1 9 LEU H 1 12 PHE H 4.400 . 6.400 5.243 4.854 5.804 . 0 0 "[ . 1]" 1
9 1 9 LEU HA 1 9 LEU MD1 4.500 . 5.500 3.824 3.792 3.868 . 0 0 "[ . 1]" 1
10 1 9 LEU HA 1 9 LEU QD 4.000 . 5.000 2.009 1.974 2.072 . 0 0 "[ . 1]" 1
11 1 9 LEU HA 1 9 LEU MD2 4.500 . 5.500 2.016 1.981 2.080 . 0 0 "[ . 1]" 1
12 1 9 LEU HA 1 10 ALA H 4.200 . 5.200 3.246 3.164 3.441 . 0 0 "[ . 1]" 1
13 1 9 LEU HA 1 11 ALA H 4.200 . 5.200 4.240 4.033 4.384 . 0 0 "[ . 1]" 1
14 1 9 LEU HA 1 11 ALA MB 4.000 . 6.000 5.039 4.858 5.251 . 0 0 "[ . 1]" 1
15 1 9 LEU HA 1 12 PHE H 4.200 . 5.200 3.175 2.882 3.391 . 0 0 "[ . 1]" 1
16 1 9 LEU HA 1 12 PHE QB 4.000 . 5.000 2.096 1.895 2.488 . 0 0 "[ . 1]" 1
17 1 9 LEU QB 1 10 ALA H 4.200 . 5.200 3.448 2.958 3.613 . 0 0 "[ . 1]" 1
18 1 9 LEU QB 1 12 PHE QB 4.000 . 5.000 2.845 2.264 3.402 . 0 0 "[ . 1]" 1
19 1 9 LEU QB 1 13 LYS H 4.200 . 5.200 3.441 3.174 3.811 . 0 0 "[ . 1]" 1
20 1 9 LEU QB 1 13 LYS HA 4.000 . 5.000 4.791 4.458 5.154 0.154 4 0 "[ . 1]" 1
21 1 9 LEU QB 1 13 LYS QB 4.000 . 5.000 4.150 3.578 4.519 . 0 0 "[ . 1]" 1
22 1 9 LEU QB 1 13 LYS QE 3.000 . 3.300 2.571 2.086 3.204 . 0 0 "[ . 1]" 1
23 1 9 LEU QB 1 13 LYS QG 3.000 . 3.300 2.361 2.059 2.633 . 0 0 "[ . 1]" 1
24 1 9 LEU QD 1 12 PHE QB 4.000 . 5.000 2.478 2.227 2.739 . 0 0 "[ . 1]" 1
25 1 9 LEU QD 1 12 PHE QD 4.000 . 5.000 2.761 2.599 2.907 . 0 0 "[ . 1]" 1
26 1 9 LEU QD 1 13 LYS HA 4.000 . 5.000 4.885 4.614 5.035 0.035 8 0 "[ . 1]" 1
27 1 9 LEU QD 1 13 LYS QB 4.000 . 5.000 4.799 4.238 5.152 0.152 7 0 "[ . 1]" 1
28 1 9 LEU QD 1 13 LYS QD 4.000 . 5.000 3.858 3.210 4.882 . 0 0 "[ . 1]" 1
29 1 9 LEU QD 1 13 LYS QE 4.000 . 5.000 2.839 2.082 4.120 . 0 0 "[ . 1]" 1
30 1 9 LEU QD 1 67 PHE QB 4.000 . 5.000 4.609 3.772 5.355 0.355 3 0 "[ . 1]" 1
31 1 9 LEU QD 1 67 PHE QD 4.000 . 6.000 3.945 3.009 5.017 . 0 0 "[ . 1]" 1
32 1 9 LEU MD1 1 12 PHE QB 4.500 . 5.500 4.176 3.613 4.584 . 0 0 "[ . 1]" 1
33 1 9 LEU MD1 1 12 PHE QD 4.500 . 5.500 4.087 3.585 4.591 . 0 0 "[ . 1]" 1
34 1 9 LEU MD1 1 13 LYS HA 4.500 . 6.500 5.734 5.338 6.211 . 0 0 "[ . 1]" 1
35 1 9 LEU MD2 1 12 PHE QB 4.500 . 5.500 2.497 2.248 2.760 . 0 0 "[ . 1]" 1
36 1 9 LEU MD2 1 12 PHE QD 4.500 . 5.500 2.816 2.639 2.945 . 0 0 "[ . 1]" 1
37 1 9 LEU MD2 1 13 LYS HA 4.500 . 6.500 5.329 4.888 5.582 . 0 0 "[ . 1]" 1
38 1 10 ALA H 1 10 ALA MB 3.200 . 3.500 2.236 2.231 2.241 . 0 0 "[ . 1]" 1
39 1 10 ALA MB 1 11 ALA H 3.200 . 3.500 2.348 2.316 2.425 . 0 0 "[ . 1]" 1
40 1 10 ALA MB 1 12 PHE QB 4.000 . 6.000 5.145 5.011 5.279 . 0 0 "[ . 1]" 1
41 1 11 ALA H 1 12 PHE H 4.400 . 5.400 2.351 2.201 2.520 . 0 0 "[ . 1]" 1
42 1 11 ALA H 1 12 PHE QB 4.200 . 5.200 4.099 3.990 4.245 . 0 0 "[ . 1]" 1
43 1 11 ALA HA 1 14 ALA MB 4.000 . 5.000 2.860 2.463 3.350 . 0 0 "[ . 1]" 1
44 1 11 ALA MB 1 12 PHE H 4.200 . 5.200 2.637 2.451 2.835 . 0 0 "[ . 1]" 1
45 1 11 ALA MB 1 12 PHE HA 4.000 . 5.000 3.827 3.769 3.897 . 0 0 "[ . 1]" 1
46 1 11 ALA MB 1 12 PHE QB 4.000 . 5.000 3.939 3.827 4.046 . 0 0 "[ . 1]" 1
47 1 11 ALA MB 1 71 THR MG 4.500 . 5.500 3.266 2.452 4.173 . 0 0 "[ . 1]" 1
48 1 12 PHE H 1 12 PHE QB 3.200 . 3.500 2.256 2.198 2.308 . 0 0 "[ . 1]" 1
49 1 12 PHE H 1 13 LYS H 4.400 . 5.400 2.919 2.751 3.004 . 0 0 "[ . 1]" 1
50 1 12 PHE H 1 71 THR MG 4.700 . 5.700 5.191 4.362 5.826 0.126 4 0 "[ . 1]" 1
51 1 12 PHE HA 1 15 ALA MB 4.000 . 5.000 3.413 3.010 3.861 . 0 0 "[ . 1]" 1
52 1 12 PHE HA 1 71 THR HA 4.000 . 5.000 4.832 4.407 5.121 0.121 1 0 "[ . 1]" 1
53 1 12 PHE HA 1 71 THR HB 4.000 . 5.000 3.585 2.737 4.254 . 0 0 "[ . 1]" 1
54 1 12 PHE QB 1 13 LYS H 4.200 . 5.200 2.401 2.206 2.545 . 0 0 "[ . 1]" 1
55 1 12 PHE QB 1 67 PHE QB 4.000 . 5.000 4.214 3.655 4.819 . 0 0 "[ . 1]" 1
56 1 12 PHE QB 1 67 PHE QD 4.000 . 5.000 4.160 3.815 4.901 . 0 0 "[ . 1]" 1
57 1 12 PHE QB 1 71 THR HB 4.000 . 5.000 4.373 3.665 5.067 0.067 9 0 "[ . 1]" 1
58 1 12 PHE QB 1 71 THR MG 4.500 . 6.500 5.000 4.119 5.855 . 0 0 "[ . 1]" 1
59 1 12 PHE QD 1 13 LYS H 4.200 . 5.200 3.340 2.876 3.589 . 0 0 "[ . 1]" 1
60 1 12 PHE QD 1 67 PHE QD 3.000 . 3.300 3.344 3.130 3.457 0.157 2 0 "[ . 1]" 1
61 1 12 PHE QD 1 67 PHE QE 4.000 . 5.000 4.612 4.230 5.063 0.063 10 0 "[ . 1]" 1
62 1 12 PHE QD 1 70 CYS QB 4.000 . 6.000 3.994 3.423 4.665 . 0 0 "[ . 1]" 1
63 1 12 PHE QD 1 74 LEU QD 4.000 . 5.000 4.310 3.747 4.813 . 0 0 "[ . 1]" 1
64 1 12 PHE QE 1 43 LEU MD1 4.500 . 5.500 4.443 3.683 5.326 . 0 0 "[ . 1]" 1
65 1 12 PHE QE 1 67 PHE QE 4.000 . 5.000 4.494 4.054 4.916 . 0 0 "[ . 1]" 1
66 1 12 PHE QE 1 70 CYS QB 4.000 . 5.000 3.557 2.637 4.819 . 0 0 "[ . 1]" 1
67 1 12 PHE QE 1 74 LEU QD 4.000 . 5.000 3.709 2.922 4.479 . 0 0 "[ . 1]" 1
68 1 13 LYS H 1 13 LYS QG 4.200 . 5.200 2.151 1.943 2.240 . 0 0 "[ . 1]" 1
69 1 13 LYS H 1 14 ALA H 4.400 . 5.400 2.798 2.665 3.024 . 0 0 "[ . 1]" 1
70 1 13 LYS H 1 14 ALA MB 4.200 . 5.200 4.469 4.351 4.670 . 0 0 "[ . 1]" 1
71 1 13 LYS HA 1 13 LYS QE 4.000 . 6.000 4.216 3.926 5.021 . 0 0 "[ . 1]" 1
72 1 13 LYS HA 1 16 THR H 4.200 . 5.200 3.457 3.076 3.868 . 0 0 "[ . 1]" 1
73 1 13 LYS HA 1 16 THR HB 4.000 . 5.000 3.551 2.564 4.597 . 0 0 "[ . 1]" 1
74 1 13 LYS QE 1 13 LYS QG 3.000 . 3.300 2.207 2.129 2.336 . 0 0 "[ . 1]" 1
75 1 13 LYS QG 1 16 THR MG 4.500 . 6.500 5.459 4.430 6.316 . 0 0 "[ . 1]" 1
76 1 14 ALA H 1 14 ALA MB 3.200 . 3.500 2.240 2.230 2.246 . 0 0 "[ . 1]" 1
77 1 14 ALA H 1 15 ALA H 4.400 . 5.400 2.717 2.645 2.767 . 0 0 "[ . 1]" 1
78 1 14 ALA HA 1 15 ALA MB 4.000 . 6.000 5.018 4.995 5.037 . 0 0 "[ . 1]" 1
79 1 14 ALA MB 1 15 ALA H 4.200 . 5.200 2.672 2.509 2.867 . 0 0 "[ . 1]" 1
80 1 15 ALA H 1 15 ALA MB 3.200 . 3.500 2.245 2.238 2.257 . 0 0 "[ . 1]" 1
81 1 15 ALA H 1 16 THR H 4.400 . 5.400 2.575 2.428 2.738 . 0 0 "[ . 1]" 1
82 1 15 ALA HA 1 18 LYS H 4.200 . 5.200 3.588 3.420 3.755 . 0 0 "[ . 1]" 1
83 1 15 ALA HA 1 18 LYS QG 4.000 . 5.000 3.136 2.553 3.767 . 0 0 "[ . 1]" 1
84 1 15 ALA MB 1 16 THR H 4.200 . 5.200 2.805 2.627 2.941 . 0 0 "[ . 1]" 1
85 1 15 ALA MB 1 18 LYS H 4.200 . 5.200 4.539 4.352 4.699 . 0 0 "[ . 1]" 1
86 1 15 ALA MB 1 19 LEU QD 4.000 . 5.000 3.526 3.059 4.164 . 0 0 "[ . 1]" 1
87 1 15 ALA MB 1 71 THR HB 4.000 . 5.000 4.467 3.994 4.825 . 0 0 "[ . 1]" 1
88 1 15 ALA MB 1 74 LEU HA 4.000 . 6.000 5.631 5.150 6.049 0.049 9 0 "[ . 1]" 1
89 1 15 ALA MB 1 74 LEU QB 4.000 . 5.000 3.140 2.715 3.527 . 0 0 "[ . 1]" 1
90 1 15 ALA MB 1 74 LEU MD1 4.500 . 5.500 2.827 2.289 3.268 . 0 0 "[ . 1]" 1
91 1 15 ALA MB 1 74 LEU QD 3.000 . 3.300 2.791 2.268 3.202 . 0 0 "[ . 1]" 1
92 1 15 ALA MB 1 74 LEU MD2 4.500 . 5.500 4.368 3.706 4.710 . 0 0 "[ . 1]" 1
93 1 15 ALA MB 1 75 ASN H 4.200 . 5.200 4.721 3.696 5.143 . 0 0 "[ . 1]" 1
94 1 15 ALA MB 1 78 TYR QE 4.000 . 5.000 3.843 3.072 4.850 . 0 0 "[ . 1]" 1
95 1 16 THR H 1 16 THR HB 4.200 . 5.200 2.667 2.523 2.780 . 0 0 "[ . 1]" 1
96 1 16 THR H 1 19 LEU QD 4.200 . 5.200 4.217 3.900 4.638 . 0 0 "[ . 1]" 1
97 1 16 THR H 1 74 LEU QD 4.200 . 5.200 5.251 5.014 5.354 0.154 6 0 "[ . 1]" 1
98 1 16 THR HA 1 16 THR MG 3.500 . 3.800 2.346 2.291 2.436 . 0 0 "[ . 1]" 1
99 1 16 THR HA 1 19 LEU H 4.200 . 5.200 3.624 3.403 3.951 . 0 0 "[ . 1]" 1
100 1 16 THR HA 1 19 LEU QB 4.000 . 5.000 3.517 2.963 3.985 . 0 0 "[ . 1]" 1
101 1 16 THR HA 1 19 LEU QD 4.000 . 5.000 2.153 1.820 2.498 . 0 0 "[ . 1]" 1
102 1 16 THR HB 1 17 ASN H 4.200 . 5.200 2.599 2.463 2.671 . 0 0 "[ . 1]" 1
103 1 16 THR HB 1 17 ASN QB 4.000 . 5.000 4.002 3.755 4.150 . 0 0 "[ . 1]" 1
104 1 16 THR MG 1 17 ASN H 4.700 . 5.700 3.595 3.401 3.752 . 0 0 "[ . 1]" 1
105 1 16 THR MG 1 19 LEU QD 4.500 . 5.500 2.682 2.214 3.285 . 0 0 "[ . 1]" 1
106 1 17 ASN H 1 18 LYS H 4.400 . 5.400 2.654 2.613 2.715 . 0 0 "[ . 1]" 1
107 1 17 ASN H 1 19 LEU H 4.400 . 5.400 4.265 4.191 4.418 . 0 0 "[ . 1]" 1
108 1 17 ASN HA 1 19 LEU H 4.200 . 5.200 4.187 3.994 4.383 . 0 0 "[ . 1]" 1
109 1 17 ASN QB 1 18 LYS H 4.200 . 5.200 2.840 2.477 3.124 . 0 0 "[ . 1]" 1
110 1 17 ASN QB 1 18 LYS HA 4.000 . 5.000 4.150 4.007 4.235 . 0 0 "[ . 1]" 1
111 1 17 ASN QB 1 18 LYS QB 4.000 . 6.000 4.575 4.438 4.798 . 0 0 "[ . 1]" 1
112 1 17 ASN QB 1 18 LYS QD 4.000 . 6.000 4.163 2.656 5.350 . 0 0 "[ . 1]" 1
113 1 18 LYS H 1 19 LEU H 4.400 . 5.400 2.539 2.317 2.943 . 0 0 "[ . 1]" 1
114 1 18 LYS H 1 21 GLN H 4.400 . 6.400 5.205 4.744 5.440 . 0 0 "[ . 1]" 1
115 1 18 LYS HA 1 19 LEU HA 4.000 . 6.000 4.879 4.834 4.918 . 0 0 "[ . 1]" 1
116 1 18 LYS HA 1 20 PHE H 4.200 . 6.200 4.295 4.046 4.565 . 0 0 "[ . 1]" 1
117 1 18 LYS HA 1 20 PHE QB 4.000 . 6.000 4.888 4.478 5.288 . 0 0 "[ . 1]" 1
118 1 18 LYS HA 1 21 GLN H 4.200 . 5.200 3.514 3.350 3.649 . 0 0 "[ . 1]" 1
119 1 18 LYS HA 1 21 GLN HB2 4.000 . 5.000 3.105 2.614 3.500 . 0 0 "[ . 1]" 1
120 1 18 LYS HA 1 21 GLN HB3 4.000 . 5.000 4.628 4.112 5.061 0.061 5 0 "[ . 1]" 1
121 1 18 LYS HA 1 21 GLN QG 4.000 . 5.000 3.120 2.568 3.525 . 0 0 "[ . 1]" 1
122 1 18 LYS HA 1 78 TYR QD 4.000 . 6.000 5.627 4.921 5.934 . 0 0 "[ . 1]" 1
123 1 18 LYS QB 1 78 TYR QD 4.000 . 5.000 3.717 3.293 4.139 . 0 0 "[ . 1]" 1
124 1 18 LYS QB 1 78 TYR QE 4.000 . 5.000 2.714 2.368 3.211 . 0 0 "[ . 1]" 1
125 1 18 LYS QG 1 19 LEU QD 4.000 . 6.000 4.992 4.186 5.394 . 0 0 "[ . 1]" 1
126 1 18 LYS QG 1 78 TYR QE 4.000 . 5.000 4.083 3.196 4.936 . 0 0 "[ . 1]" 1
127 1 19 LEU H 1 19 LEU QD 4.200 . 5.200 2.836 1.991 3.147 . 0 0 "[ . 1]" 1
128 1 19 LEU H 1 20 PHE H 4.400 . 5.400 2.761 2.670 2.888 . 0 0 "[ . 1]" 1
129 1 19 LEU HA 1 19 LEU QD 4.000 . 5.000 2.251 2.067 2.834 . 0 0 "[ . 1]" 1
130 1 19 LEU HA 1 22 LEU H 4.200 . 5.200 3.755 3.502 4.134 . 0 0 "[ . 1]" 1
131 1 19 LEU HA 1 22 LEU HB3 4.000 . 5.000 3.884 2.822 5.118 0.118 2 0 "[ . 1]" 1
132 1 19 LEU HA 1 24 LEU MD2 4.500 . 5.500 4.246 3.340 5.349 . 0 0 "[ . 1]" 1
133 1 19 LEU HA 1 78 TYR QD 4.000 . 5.000 5.018 4.705 5.257 0.257 6 0 "[ . 1]" 1
134 1 19 LEU HA 1 78 TYR QE 4.000 . 5.000 2.907 2.507 3.152 . 0 0 "[ . 1]" 1
135 1 19 LEU QB 1 20 PHE H 4.200 . 5.200 2.527 2.344 2.749 . 0 0 "[ . 1]" 1
136 1 19 LEU QB 1 24 LEU HB2 4.000 . 6.000 4.998 3.350 5.559 . 0 0 "[ . 1]" 1
137 1 19 LEU QB 1 24 LEU MD1 4.500 . 5.500 2.726 2.141 4.839 . 0 0 "[ . 1]" 1
138 1 19 LEU QB 1 24 LEU MD2 4.500 . 5.500 4.905 4.233 5.489 . 0 0 "[ . 1]" 1
139 1 19 LEU QD 1 24 LEU MD1 4.500 . 5.500 2.128 1.845 2.996 . 0 0 "[ . 1]" 1
140 1 19 LEU QD 1 25 ALA MB 4.000 . 5.000 3.838 2.838 5.163 0.163 4 0 "[ . 1]" 1
141 1 19 LEU QD 1 26 VAL H 4.200 . 5.200 3.240 2.104 4.275 . 0 0 "[ . 1]" 1
142 1 19 LEU QD 1 26 VAL HB 4.000 . 5.000 3.101 2.703 3.742 . 0 0 "[ . 1]" 1
143 1 19 LEU QD 1 78 TYR QE 4.000 . 5.000 3.025 2.133 3.436 . 0 0 "[ . 1]" 1
144 1 19 LEU MD1 1 24 LEU MD1 5.000 . 6.000 3.649 3.082 5.241 . 0 0 "[ . 1]" 1
145 1 19 LEU MD2 1 24 LEU MD1 5.000 . 6.000 2.148 1.860 3.013 . 0 0 "[ . 1]" 1
146 1 20 PHE H 1 20 PHE QB 3.200 . 3.500 2.305 2.229 2.491 . 0 0 "[ . 1]" 1
147 1 20 PHE H 1 21 GLN H 4.400 . 5.400 2.635 2.559 2.694 . 0 0 "[ . 1]" 1
148 1 20 PHE HA 1 20 PHE QD 4.000 . 5.000 2.700 2.567 2.902 . 0 0 "[ . 1]" 1
149 1 20 PHE QB 1 21 GLN H 4.200 . 5.200 2.702 2.524 2.888 . 0 0 "[ . 1]" 1
150 1 20 PHE QB 1 21 GLN QG 4.000 . 5.000 3.254 3.038 3.579 . 0 0 "[ . 1]" 1
151 1 20 PHE QB 1 22 LEU H 4.200 . 5.200 4.708 4.306 5.207 0.007 6 0 "[ . 1]" 1
152 1 20 PHE QD 1 21 GLN QG 4.000 . 5.000 3.680 2.968 4.552 . 0 0 "[ . 1]" 1
153 1 21 GLN H 1 21 GLN HB2 4.200 . 5.200 2.433 2.325 2.506 . 0 0 "[ . 1]" 1
154 1 21 GLN H 1 21 GLN HB3 4.200 . 5.200 3.586 3.557 3.621 . 0 0 "[ . 1]" 1
155 1 21 GLN H 1 21 GLN QG 4.200 . 5.200 2.317 2.194 2.488 . 0 0 "[ . 1]" 1
156 1 21 GLN H 1 22 LEU H 4.400 . 5.400 2.722 2.381 3.046 . 0 0 "[ . 1]" 1
157 1 21 GLN HA 1 23 ASP H 4.200 . 5.200 3.994 3.818 4.118 . 0 0 "[ . 1]" 1
158 1 21 GLN HB2 1 22 LEU H 4.200 . 5.200 3.195 2.554 3.661 . 0 0 "[ . 1]" 1
159 1 21 GLN HB2 1 22 LEU HB2 4.000 . 5.000 4.204 3.912 4.562 . 0 0 "[ . 1]" 1
160 1 21 GLN HB2 1 22 LEU HB3 4.000 . 6.000 5.129 4.545 5.870 . 0 0 "[ . 1]" 1
161 1 21 GLN HB3 1 22 LEU H 4.200 . 5.200 3.983 3.471 4.249 . 0 0 "[ . 1]" 1
162 1 21 GLN QG 1 23 ASP H 4.200 . 6.200 5.517 5.352 5.722 . 0 0 "[ . 1]" 1
163 1 22 LEU H 1 22 LEU HB2 4.200 . 5.200 2.807 2.101 3.142 . 0 0 "[ . 1]" 1
164 1 22 LEU H 1 22 LEU HB3 3.200 . 3.500 2.810 2.452 3.642 0.142 5 0 "[ . 1]" 1
165 1 22 LEU H 1 22 LEU MD1 4.700 . 5.700 4.219 3.923 4.376 . 0 0 "[ . 1]" 1
166 1 22 LEU H 1 22 LEU QD 4.200 . 5.200 3.626 2.388 4.016 . 0 0 "[ . 1]" 1
167 1 22 LEU H 1 22 LEU MD2 4.700 . 5.700 4.099 2.409 4.673 . 0 0 "[ . 1]" 1
168 1 22 LEU H 1 22 LEU HG 4.200 . 5.200 4.479 3.985 4.711 . 0 0 "[ . 1]" 1
169 1 22 LEU H 1 23 ASP H 4.400 . 5.400 2.064 1.820 2.724 . 0 0 "[ . 1]" 1
170 1 22 LEU H 1 24 LEU H 4.400 . 5.400 3.872 3.368 4.289 . 0 0 "[ . 1]" 1
171 1 22 LEU HA 1 22 LEU QD 3.000 . 3.300 2.023 1.931 2.077 . 0 0 "[ . 1]" 1
172 1 22 LEU HB2 1 24 LEU MD2 4.500 . 5.500 3.898 2.457 5.454 . 0 0 "[ . 1]" 1
173 1 22 LEU HB2 1 24 LEU HG 4.000 . 5.000 3.963 2.484 4.644 . 0 0 "[ . 1]" 1
174 1 22 LEU HB2 1 78 TYR HB3 4.000 . 6.000 5.441 4.882 6.133 0.133 5 0 "[ . 1]" 1
175 1 22 LEU HB2 1 78 TYR QD 4.000 . 5.000 3.328 2.824 3.883 . 0 0 "[ . 1]" 1
176 1 22 LEU HB3 1 24 LEU H 4.200 . 5.200 4.089 3.653 4.710 . 0 0 "[ . 1]" 1
177 1 22 LEU HB3 1 24 LEU HB3 4.000 . 5.000 4.556 3.835 5.048 0.048 3 0 "[ . 1]" 1
178 1 22 LEU HB3 1 24 LEU MD1 4.500 . 5.500 3.474 2.669 4.638 . 0 0 "[ . 1]" 1
179 1 22 LEU HB3 1 24 LEU MD2 4.500 . 5.500 2.927 2.193 4.268 . 0 0 "[ . 1]" 1
180 1 22 LEU HB3 1 24 LEU HG 4.000 . 5.000 2.689 2.419 3.495 . 0 0 "[ . 1]" 1
181 1 22 LEU HB3 1 78 TYR QD 4.000 . 5.000 4.092 3.168 4.785 . 0 0 "[ . 1]" 1
182 1 22 LEU HB3 1 78 TYR QE 4.000 . 5.000 3.563 2.710 4.652 . 0 0 "[ . 1]" 1
183 1 22 LEU HB3 1 81 LEU QB 4.000 . 6.000 5.311 4.204 6.109 0.109 9 0 "[ . 1]" 1
184 1 22 LEU HB3 1 81 LEU MD1 4.500 . 6.500 4.567 3.570 5.093 . 0 0 "[ . 1]" 1
185 1 22 LEU QD 1 24 LEU HB3 4.000 . 5.000 4.490 4.048 5.172 0.172 5 0 "[ . 1]" 1
186 1 22 LEU QD 1 24 LEU MD1 4.500 . 5.500 3.330 1.912 4.735 . 0 0 "[ . 1]" 1
187 1 22 LEU QD 1 24 LEU MD2 3.500 . 3.800 2.381 1.892 3.357 . 0 0 "[ . 1]" 1
188 1 22 LEU QD 1 24 LEU HG 4.000 . 5.000 3.423 2.869 4.426 . 0 0 "[ . 1]" 1
189 1 22 LEU QD 1 78 TYR HB3 4.000 . 5.000 3.637 3.049 4.191 . 0 0 "[ . 1]" 1
190 1 22 LEU QD 1 78 TYR QD 4.000 . 5.000 2.469 1.933 3.117 . 0 0 "[ . 1]" 1
191 1 22 LEU QD 1 78 TYR QE 4.000 . 5.000 3.201 2.493 3.932 . 0 0 "[ . 1]" 1
192 1 22 LEU QD 1 81 LEU HA 4.000 . 5.000 4.472 4.000 5.012 0.012 2 0 "[ . 1]" 1
193 1 22 LEU QD 1 81 LEU QB 3.000 . 3.300 2.265 1.825 2.897 . 0 0 "[ . 1]" 1
194 1 22 LEU QD 1 81 LEU MD1 3.500 . 3.800 2.347 1.838 3.326 . 0 0 "[ . 1]" 1
195 1 22 LEU QD 1 81 LEU HG 4.000 . 5.000 3.987 3.432 5.025 0.025 2 0 "[ . 1]" 1
196 1 22 LEU QD 1 82 LYS H 4.200 . 5.200 4.121 3.487 4.738 . 0 0 "[ . 1]" 1
197 1 22 LEU QD 1 82 LYS HA 4.000 . 5.000 3.758 3.053 4.541 . 0 0 "[ . 1]" 1
198 1 22 LEU QD 1 82 LYS QB 4.000 . 5.000 4.426 3.743 4.982 . 0 0 "[ . 1]" 1
199 1 22 LEU QD 1 82 LYS QE 4.000 . 5.000 3.145 1.777 4.011 0.023 3 0 "[ . 1]" 1
200 1 22 LEU MD1 1 24 LEU MD1 5.000 . 6.000 5.080 3.927 5.911 . 0 0 "[ . 1]" 1
201 1 22 LEU MD1 1 24 LEU MD2 5.000 . 6.000 3.772 3.307 4.317 . 0 0 "[ . 1]" 1
202 1 22 LEU MD1 1 81 LEU QB 4.500 . 5.500 2.817 1.896 3.896 . 0 0 "[ . 1]" 1
203 1 22 LEU MD1 1 81 LEU MD1 5.000 . 6.000 3.383 2.426 4.429 . 0 0 "[ . 1]" 1
204 1 22 LEU MD1 1 81 LEU HG 4.500 . 6.500 5.091 4.133 6.337 . 0 0 "[ . 1]" 1
205 1 22 LEU MD2 1 24 LEU MD1 5.000 . 6.000 3.415 1.916 5.052 . 0 0 "[ . 1]" 1
206 1 22 LEU MD2 1 24 LEU MD2 5.000 . 6.000 2.514 1.900 3.944 . 0 0 "[ . 1]" 1
207 1 22 LEU MD2 1 81 LEU QB 4.500 . 5.500 2.850 1.913 4.306 . 0 0 "[ . 1]" 1
208 1 22 LEU MD2 1 81 LEU MD1 5.000 . 6.000 2.618 1.903 4.712 . 0 0 "[ . 1]" 1
209 1 22 LEU MD2 1 81 LEU HG 4.500 . 6.500 4.428 3.532 6.347 . 0 0 "[ . 1]" 1
210 1 22 LEU HG 1 24 LEU HB3 4.000 . 6.000 4.665 3.994 6.014 0.014 5 0 "[ . 1]" 1
211 1 22 LEU HG 1 24 LEU MD2 4.500 . 5.500 2.751 2.206 3.243 . 0 0 "[ . 1]" 1
212 1 22 LEU HG 1 24 LEU HG 4.000 . 5.000 3.478 2.297 4.944 . 0 0 "[ . 1]" 1
213 1 22 LEU HG 1 78 TYR QD 4.000 . 6.000 4.575 2.266 5.931 . 0 0 "[ . 1]" 1
214 1 22 LEU HG 1 78 TYR QE 4.000 . 6.000 4.962 3.274 5.989 . 0 0 "[ . 1]" 1
215 1 22 LEU HG 1 81 LEU MD1 4.500 . 5.500 3.473 3.041 4.397 . 0 0 "[ . 1]" 1
216 1 23 ASP H 1 24 LEU H 4.400 . 5.400 2.790 2.535 2.952 . 0 0 "[ . 1]" 1
217 1 23 ASP HA 1 24 LEU H 4.200 . 5.200 2.618 2.517 2.836 . 0 0 "[ . 1]" 1
218 1 23 ASP HA 1 24 LEU HA 4.000 . 5.000 4.326 4.270 4.498 . 0 0 "[ . 1]" 1
219 1 24 LEU H 1 24 LEU HB3 4.200 . 5.200 3.532 3.400 3.743 . 0 0 "[ . 1]" 1
220 1 24 LEU H 1 24 LEU MD1 4.700 . 5.700 3.092 2.663 4.022 . 0 0 "[ . 1]" 1
221 1 24 LEU H 1 24 LEU MD2 4.700 . 5.700 4.050 3.703 4.305 . 0 0 "[ . 1]" 1
222 1 24 LEU H 1 24 LEU HG 4.200 . 5.200 2.605 2.347 2.922 . 0 0 "[ . 1]" 1
223 1 24 LEU HA 1 24 LEU MD1 4.500 . 5.500 3.653 3.597 3.858 . 0 0 "[ . 1]" 1
224 1 24 LEU HA 1 24 LEU MD2 4.500 . 5.500 3.884 2.085 4.109 . 0 0 "[ . 1]" 1
225 1 24 LEU HA 1 25 ALA H 3.200 . 3.500 2.542 2.370 2.667 . 0 0 "[ . 1]" 1
226 1 24 LEU HA 1 25 ALA MB 4.000 . 5.000 3.830 3.761 3.880 . 0 0 "[ . 1]" 1
227 1 24 LEU HB2 1 25 ALA H 4.200 . 5.200 2.326 2.015 3.559 . 0 0 "[ . 1]" 1
228 1 24 LEU HB2 1 25 ALA MB 4.000 . 5.000 4.465 4.194 5.063 0.063 3 0 "[ . 1]" 1
229 1 24 LEU HB2 1 45 ILE MG 4.500 . 5.500 3.897 3.307 5.551 0.051 3 0 "[ . 1]" 1
230 1 24 LEU HB3 1 25 ALA H 4.200 . 5.200 3.435 2.383 3.689 . 0 0 "[ . 1]" 1
231 1 24 LEU HB3 1 45 ILE MG 4.500 . 5.500 4.721 4.156 5.217 . 0 0 "[ . 1]" 1
232 1 24 LEU HB3 1 81 LEU MD1 4.500 . 5.500 4.716 3.449 5.509 0.009 8 0 "[ . 1]" 1
233 1 24 LEU MD1 1 78 TYR QE 4.500 . 5.500 3.478 2.341 4.496 . 0 0 "[ . 1]" 1
234 1 24 LEU MD2 1 77 MET HG3 4.500 . 5.500 4.364 3.279 5.531 0.031 3 0 "[ . 1]" 1
235 1 24 LEU MD2 1 81 LEU MD1 4.000 . 4.300 2.660 2.171 3.282 . 0 0 "[ . 1]" 1
236 1 25 ALA H 1 25 ALA MB 3.200 . 3.500 2.622 2.455 2.740 . 0 0 "[ . 1]" 1
237 1 25 ALA H 1 45 ILE MG 4.700 . 5.700 4.041 3.575 4.814 . 0 0 "[ . 1]" 1
238 1 25 ALA H 1 46 GLU H 4.400 . 5.400 4.603 3.657 5.376 . 0 0 "[ . 1]" 1
239 1 25 ALA HA 1 26 VAL H 3.200 . 3.500 2.437 2.236 2.709 . 0 0 "[ . 1]" 1
240 1 25 ALA HA 1 26 VAL HB 4.000 . 5.000 4.511 4.403 4.661 . 0 0 "[ . 1]" 1
241 1 25 ALA MB 1 26 VAL H 4.200 . 5.200 2.442 2.022 2.802 . 0 0 "[ . 1]" 1
242 1 25 ALA MB 1 46 GLU H 4.200 . 6.200 4.672 3.412 5.757 . 0 0 "[ . 1]" 1
243 1 26 VAL H 1 26 VAL HB 4.200 . 5.200 3.285 2.827 3.550 . 0 0 "[ . 1]" 1
244 1 26 VAL HA 1 27 ILE H 4.200 . 5.200 2.210 2.126 2.338 . 0 0 "[ . 1]" 1
245 1 26 VAL HA 1 45 ILE HA . . 3.300 3.004 2.436 3.377 0.077 2 0 "[ . 1]" 1
246 1 26 VAL HA 1 45 ILE MG 4.500 . 5.500 3.791 3.427 4.134 . 0 0 "[ . 1]" 1
247 1 26 VAL HA 1 46 GLU H 4.200 . 5.200 4.162 3.578 4.825 . 0 0 "[ . 1]" 1
248 1 26 VAL HB 1 27 ILE HA 4.000 . 6.000 5.636 4.684 5.851 . 0 0 "[ . 1]" 1
249 1 26 VAL HB 1 43 LEU MD1 4.500 . 6.500 5.643 4.166 6.592 0.092 6 0 "[ . 1]" 1
250 1 26 VAL HB 1 45 ILE MG 4.500 . 5.500 4.208 3.358 5.611 0.111 4 0 "[ . 1]" 1
251 1 26 VAL QG 1 27 ILE H 4.200 . 5.200 2.504 2.211 2.850 . 0 0 "[ . 1]" 1
252 1 26 VAL QG 1 28 TYR HA 4.000 . 5.000 4.281 3.877 4.772 . 0 0 "[ . 1]" 1
253 1 26 VAL QG 1 28 TYR QB 4.000 . 6.000 3.611 3.042 3.929 . 0 0 "[ . 1]" 1
254 1 26 VAL QG 1 28 TYR QD 4.000 . 5.000 3.526 2.835 4.056 . 0 0 "[ . 1]" 1
255 1 26 VAL QG 1 43 LEU HB2 4.000 . 5.000 4.508 3.998 4.872 . 0 0 "[ . 1]" 1
256 1 26 VAL QG 1 43 LEU MD1 3.500 . 3.800 3.102 1.879 3.915 0.115 3 0 "[ . 1]" 1
257 1 26 VAL QG 1 43 LEU MD2 4.500 . 5.500 3.003 2.623 3.163 . 0 0 "[ . 1]" 1
258 1 26 VAL QG 1 43 LEU HG 3.000 . 3.300 2.749 2.531 2.959 . 0 0 "[ . 1]" 1
259 1 26 VAL QG 1 44 ARG QB 4.000 . 5.000 4.611 4.078 5.008 0.008 9 0 "[ . 1]" 1
260 1 26 VAL QG 1 45 ILE H 4.200 . 5.200 4.701 4.032 5.150 . 0 0 "[ . 1]" 1
261 1 26 VAL QG 1 45 ILE HA 4.000 . 5.000 3.649 3.233 3.959 . 0 0 "[ . 1]" 1
262 1 26 VAL QG 1 45 ILE MD 4.500 . 5.500 1.919 1.769 1.998 0.031 4 0 "[ . 1]" 1
263 1 26 VAL QG 1 74 LEU QB 4.000 . 6.000 4.461 3.647 5.047 . 0 0 "[ . 1]" 1
264 1 26 VAL QG 1 74 LEU QD 4.000 . 5.000 2.302 1.884 2.626 . 0 0 "[ . 1]" 1
265 1 26 VAL QG 1 74 LEU HG 4.000 . 5.000 4.300 3.881 4.503 . 0 0 "[ . 1]" 1
266 1 26 VAL MG1 1 27 ILE H 4.700 . 5.700 3.869 2.634 4.196 . 0 0 "[ . 1]" 1
267 1 26 VAL MG1 1 28 TYR QD 4.500 . 5.500 4.119 2.845 4.998 . 0 0 "[ . 1]" 1
268 1 26 VAL MG1 1 43 LEU HG 4.500 . 5.500 4.574 2.954 5.548 0.048 9 0 "[ . 1]" 1
269 1 26 VAL MG1 1 74 LEU HG 4.500 . 5.500 5.182 4.335 5.796 0.296 7 0 "[ . 1]" 1
270 1 26 VAL MG2 1 27 ILE H 4.700 . 5.700 2.672 2.224 4.043 . 0 0 "[ . 1]" 1
271 1 26 VAL MG2 1 28 TYR QD 4.500 . 5.500 4.070 3.488 5.453 . 0 0 "[ . 1]" 1
272 1 26 VAL MG2 1 43 LEU HG 4.500 . 5.500 2.942 2.548 4.688 . 0 0 "[ . 1]" 1
273 1 26 VAL MG2 1 74 LEU HG 4.500 . 5.500 4.647 4.369 5.256 . 0 0 "[ . 1]" 1
274 1 27 ILE H 1 27 ILE HB 4.200 . 5.200 3.822 3.691 3.925 . 0 0 "[ . 1]" 1
275 1 27 ILE H 1 27 ILE MD 4.700 . 5.700 3.708 1.777 4.102 0.023 9 0 "[ . 1]" 1
276 1 27 ILE H 1 27 ILE HG12 4.200 . 5.200 2.370 2.035 2.935 . 0 0 "[ . 1]" 1
277 1 27 ILE H 1 27 ILE QG 4.700 . 5.700 2.287 1.998 2.870 . 0 0 "[ . 1]" 1
278 1 27 ILE H 1 27 ILE HG13 4.200 . 5.200 3.047 2.880 4.055 . 0 0 "[ . 1]" 1
279 1 27 ILE H 1 43 LEU MD1 4.700 . 6.700 5.397 3.860 6.756 0.056 8 0 "[ . 1]" 1
280 1 27 ILE H 1 44 ARG QB 4.200 . 5.200 3.879 3.453 4.181 . 0 0 "[ . 1]" 1
281 1 27 ILE H 1 45 ILE HA 4.200 . 5.200 3.705 3.493 4.209 . 0 0 "[ . 1]" 1
282 1 27 ILE H 1 45 ILE MG 4.700 . 6.700 5.158 4.826 5.576 . 0 0 "[ . 1]" 1
283 1 27 ILE HA 1 27 ILE MD 4.500 . 5.500 4.144 3.626 4.208 . 0 0 "[ . 1]" 1
284 1 27 ILE HA 1 27 ILE MG 3.500 . 3.800 2.329 2.300 2.350 . 0 0 "[ . 1]" 1
285 1 27 ILE HB 1 44 ARG QG 4.000 . 6.000 5.711 5.295 6.091 0.091 2 0 "[ . 1]" 1
286 1 27 ILE MD 1 44 ARG QB 4.500 . 5.500 2.941 2.622 3.150 . 0 0 "[ . 1]" 1
287 1 27 ILE MD 1 44 ARG HD2 4.500 . 5.500 3.547 2.259 4.005 . 0 0 "[ . 1]" 1
288 1 27 ILE MD 1 44 ARG QD 4.500 . 5.500 2.312 1.994 2.923 . 0 0 "[ . 1]" 1
289 1 27 ILE MD 1 44 ARG HD3 4.500 . 5.500 2.547 2.005 3.751 . 0 0 "[ . 1]" 1
290 1 27 ILE MD 1 44 ARG QG 4.500 . 5.500 2.965 2.546 3.587 . 0 0 "[ . 1]" 1
291 1 27 ILE MD 1 46 GLU QB 4.500 . 5.500 3.970 3.420 4.564 . 0 0 "[ . 1]" 1
292 1 27 ILE QG 1 44 ARG QB 4.500 . 5.500 2.097 1.938 2.335 . 0 0 "[ . 1]" 1
293 1 27 ILE QG 1 44 ARG QD 4.500 . 5.500 3.051 2.800 3.589 . 0 0 "[ . 1]" 1
294 1 27 ILE QG 1 44 ARG QG 4.500 . 5.500 3.139 2.802 3.495 . 0 0 "[ . 1]" 1
295 1 27 ILE QG 1 46 GLU QB 4.500 . 6.500 4.522 3.685 5.315 . 0 0 "[ . 1]" 1
296 1 27 ILE HG12 1 27 ILE MG 3.500 . 3.800 2.474 2.377 3.205 . 0 0 "[ . 1]" 1
297 1 27 ILE HG13 1 27 ILE MG 3.500 . 3.800 3.139 2.508 3.215 . 0 0 "[ . 1]" 1
298 1 27 ILE MG 1 44 ARG QD 4.500 . 5.500 4.984 4.791 5.215 . 0 0 "[ . 1]" 1
299 1 27 ILE MG 1 44 ARG QG 4.500 . 5.500 5.102 4.879 5.469 . 0 0 "[ . 1]" 1
300 1 28 TYR HA 1 29 ASP H 4.200 . 5.200 2.254 2.009 2.411 . 0 0 "[ . 1]" 1
301 1 28 TYR HA 1 43 LEU HA 3.000 . 3.300 2.712 2.507 2.875 . 0 0 "[ . 1]" 1
302 1 28 TYR HA 1 43 LEU MD1 4.500 . 5.500 3.556 3.096 4.015 . 0 0 "[ . 1]" 1
303 1 28 TYR HA 1 44 ARG H 4.200 . 5.200 3.099 2.673 3.639 . 0 0 "[ . 1]" 1
304 1 28 TYR QB 1 29 ASP H 4.200 . 5.200 2.633 2.413 3.054 . 0 0 "[ . 1]" 1
305 1 28 TYR QB 1 30 ASP HA 4.000 . 6.000 5.882 5.372 6.127 0.127 4 0 "[ . 1]" 1
306 1 28 TYR QB 1 41 ILE MD 4.500 . 5.500 4.861 3.869 5.496 . 0 0 "[ . 1]" 1
307 1 28 TYR QB 1 41 ILE MG 4.500 . 5.500 2.961 2.798 3.624 . 0 0 "[ . 1]" 1
308 1 28 TYR QB 1 43 LEU MD1 4.500 . 5.500 2.707 2.108 3.218 . 0 0 "[ . 1]" 1
309 1 28 TYR QB 1 43 LEU MD2 4.500 . 6.500 4.642 4.346 4.981 . 0 0 "[ . 1]" 1
310 1 28 TYR QB 1 43 LEU HG 4.000 . 5.000 3.985 3.107 4.935 . 0 0 "[ . 1]" 1
311 1 28 TYR QD 1 29 ASP H 4.200 . 6.200 3.717 3.201 4.221 . 0 0 "[ . 1]" 1
312 1 28 TYR QD 1 30 ASP H 4.200 . 6.200 4.471 3.928 5.254 . 0 0 "[ . 1]" 1
313 1 28 TYR QD 1 41 ILE MD 4.500 . 5.500 5.001 3.204 5.560 0.060 8 0 "[ . 1]" 1
314 1 28 TYR QD 1 43 LEU MD1 4.500 . 5.500 4.211 2.870 4.895 . 0 0 "[ . 1]" 1
315 1 28 TYR QE 1 43 LEU MD1 4.500 . 6.500 5.829 4.554 6.533 0.033 5 0 "[ . 1]" 1
316 1 29 ASP H 1 42 ARG H 4.400 . 5.400 2.925 2.681 3.270 . 0 0 "[ . 1]" 1
317 1 29 ASP HA 1 30 ASP H 4.200 . 5.200 2.236 2.088 2.520 . 0 0 "[ . 1]" 1
318 1 29 ASP QB 1 42 ARG QB 4.000 . 5.000 2.214 1.783 3.234 0.017 8 0 "[ . 1]" 1
319 1 29 ASP QB 1 42 ARG QD 4.000 . 5.000 3.036 2.493 4.056 . 0 0 "[ . 1]" 1
320 1 29 ASP HB2 1 42 ARG QD 4.000 . 5.000 3.481 2.568 5.020 0.020 10 0 "[ . 1]" 1
321 1 29 ASP HB3 1 42 ARG QD 4.000 . 5.000 3.702 2.546 4.775 . 0 0 "[ . 1]" 1
322 1 30 ASP H 1 41 ILE HA 4.200 . 6.200 5.686 5.120 6.246 0.046 9 0 "[ . 1]" 1
323 1 30 ASP HA 1 41 ILE MG 4.500 . 5.500 5.188 4.507 5.578 0.078 9 0 "[ . 1]" 1
324 1 30 ASP HA 1 42 ARG H 4.200 . 5.200 4.461 3.601 5.394 0.194 8 0 "[ . 1]" 1
325 1 34 ALA H 1 34 ALA MB 3.200 . 3.500 2.594 2.227 2.984 . 0 0 "[ . 1]" 1
326 1 34 ALA MB 1 35 TYR H 4.200 . 5.200 3.059 1.851 3.674 . 0 0 "[ . 1]" 1
327 1 35 TYR H 1 35 TYR QB 3.200 . 3.500 2.414 2.242 2.845 . 0 0 "[ . 1]" 1
328 1 35 TYR H 1 36 THR H 4.400 . 5.400 2.680 2.271 3.125 . 0 0 "[ . 1]" 1
329 1 35 TYR HA 1 35 TYR QD 4.000 . 5.000 3.083 2.483 3.760 . 0 0 "[ . 1]" 1
330 1 35 TYR QB 1 36 THR H 4.200 . 5.200 3.187 2.181 3.963 . 0 0 "[ . 1]" 1
331 1 35 TYR QB 1 36 THR MG 4.500 . 5.500 4.109 3.160 5.071 . 0 0 "[ . 1]" 1
332 1 35 TYR QD 1 36 THR MG 4.500 . 5.500 3.449 1.999 4.542 . 0 0 "[ . 1]" 1
333 1 35 TYR QD 1 37 ARG H 4.200 . 6.200 5.112 4.182 5.771 . 0 0 "[ . 1]" 1
334 1 35 TYR QE 1 36 THR MG 4.500 . 6.500 4.134 2.554 5.886 . 0 0 "[ . 1]" 1
335 1 36 THR H 1 37 ARG H 4.400 . 5.400 2.595 1.950 3.291 . 0 0 "[ . 1]" 1
336 1 36 THR HA 1 36 THR MG 3.500 . 3.800 2.446 2.204 3.223 . 0 0 "[ . 1]" 1
337 1 41 ILE H 1 41 ILE HB 4.200 . 5.200 2.768 2.564 2.953 . 0 0 "[ . 1]" 1
338 1 41 ILE H 1 41 ILE HG12 4.200 . 6.200 3.949 2.931 4.345 . 0 0 "[ . 1]" 1
339 1 41 ILE H 1 41 ILE QG 4.700 . 5.700 3.001 2.568 3.256 . 0 0 "[ . 1]" 1
340 1 41 ILE H 1 41 ILE HG13 4.200 . 6.200 3.322 2.608 4.207 . 0 0 "[ . 1]" 1
341 1 41 ILE H 1 58 PHE H 4.400 . 5.400 3.630 3.287 4.129 . 0 0 "[ . 1]" 1
342 1 41 ILE H 1 59 TYR HA 4.200 . 5.200 4.254 3.414 5.241 0.041 8 0 "[ . 1]" 1
343 1 41 ILE HA 1 41 ILE MD 4.500 . 5.500 3.517 2.113 3.871 . 0 0 "[ . 1]" 1
344 1 41 ILE HB 1 58 PHE QB 4.000 . 6.000 2.944 2.258 3.743 . 0 0 "[ . 1]" 1
345 1 41 ILE HB 1 58 PHE QD 4.000 . 6.000 4.211 3.695 4.699 . 0 0 "[ . 1]" 1
346 1 41 ILE HB 1 66 LEU QD 4.000 . 5.000 2.962 2.398 4.137 . 0 0 "[ . 1]" 1
347 1 41 ILE MD 1 43 LEU MD1 5.000 . 6.000 4.836 4.250 5.951 . 0 0 "[ . 1]" 1
348 1 41 ILE MD 1 67 PHE QD 4.500 . 5.500 4.804 3.822 5.805 0.305 9 0 "[ . 1]" 1
349 1 41 ILE MD 1 67 PHE QE 4.500 . 5.500 3.816 2.785 4.512 . 0 0 "[ . 1]" 1
350 1 41 ILE MG 1 42 ARG QB 4.500 . 5.500 4.426 4.155 4.697 . 0 0 "[ . 1]" 1
351 1 41 ILE MG 1 43 LEU MD1 5.000 . 6.000 2.870 2.176 4.088 . 0 0 "[ . 1]" 1
352 1 41 ILE MG 1 58 PHE QB 4.500 . 5.500 3.542 2.787 4.231 . 0 0 "[ . 1]" 1
353 1 41 ILE MG 1 58 PHE QD 4.500 . 5.500 3.513 2.899 4.090 . 0 0 "[ . 1]" 1
354 1 41 ILE MG 1 67 PHE QD 4.500 . 5.500 5.423 4.969 5.654 0.154 2 0 "[ . 1]" 1
355 1 42 ARG HA 1 58 PHE H 4.200 . 5.200 3.092 2.804 3.496 . 0 0 "[ . 1]" 1
356 1 42 ARG QB 1 43 LEU MD1 4.500 . 6.500 4.883 4.324 5.479 . 0 0 "[ . 1]" 1
357 1 42 ARG QB 1 44 ARG QB 4.000 . 5.000 4.355 3.920 4.764 . 0 0 "[ . 1]" 1
358 1 42 ARG QB 1 57 THR MG 4.500 . 5.500 3.319 2.427 3.959 . 0 0 "[ . 1]" 1
359 1 42 ARG QB 1 58 PHE H 4.200 . 5.200 4.675 4.110 5.240 0.040 1 0 "[ . 1]" 1
360 1 42 ARG QB 1 58 PHE QD 4.000 . 6.000 5.706 4.969 6.062 0.062 6 0 "[ . 1]" 1
361 1 42 ARG QG 1 57 THR HA 4.000 . 5.000 2.955 2.597 3.525 . 0 0 "[ . 1]" 1
362 1 42 ARG QG 1 57 THR MG 4.500 . 5.500 2.550 1.835 3.581 . 0 0 "[ . 1]" 1
363 1 43 LEU H 1 56 SER H 4.400 . 5.400 3.407 3.011 3.819 . 0 0 "[ . 1]" 1
364 1 43 LEU H 1 57 THR HA 4.200 . 5.200 3.262 3.087 3.466 . 0 0 "[ . 1]" 1
365 1 43 LEU H 1 57 THR MG 4.700 . 5.700 4.841 4.468 5.115 . 0 0 "[ . 1]" 1
366 1 43 LEU HB2 1 56 SER QB 4.000 . 5.000 3.265 2.504 4.294 . 0 0 "[ . 1]" 1
367 1 43 LEU HB2 1 58 PHE H 4.200 . 6.200 5.734 5.432 6.136 . 0 0 "[ . 1]" 1
368 1 43 LEU HB2 1 58 PHE QE 4.000 . 5.000 3.056 2.123 3.608 . 0 0 "[ . 1]" 1
369 1 43 LEU HB3 1 44 ARG H 4.200 . 5.200 3.872 3.367 4.332 . 0 0 "[ . 1]" 1
370 1 43 LEU HB3 1 56 SER QB 4.000 . 5.000 3.334 2.623 3.969 . 0 0 "[ . 1]" 1
371 1 43 LEU HB3 1 58 PHE QE 4.000 . 5.000 3.735 2.389 5.002 0.002 3 0 "[ . 1]" 1
372 1 43 LEU HB3 1 74 LEU HG 4.000 . 6.000 5.737 5.242 6.120 0.120 9 0 "[ . 1]" 1
373 1 43 LEU MD1 1 44 ARG H 4.700 . 5.700 3.902 2.853 4.534 . 0 0 "[ . 1]" 1
374 1 43 LEU MD1 1 67 PHE QD 4.500 . 6.500 6.312 5.925 6.640 0.140 4 0 "[ . 1]" 1
375 1 43 LEU MD1 1 67 PHE QE 4.500 . 6.500 6.361 5.900 6.568 0.068 3 0 "[ . 1]" 1
376 1 43 LEU MD1 1 70 CYS QB 4.500 . 5.500 3.733 2.733 4.752 . 0 0 "[ . 1]" 1
377 1 43 LEU MD1 1 73 TRP HE3 4.500 . 5.500 5.303 4.801 5.663 0.163 8 0 "[ . 1]" 1
378 1 43 LEU MD1 1 74 LEU QD 4.500 . 5.500 3.627 2.745 4.397 . 0 0 "[ . 1]" 1
379 1 43 LEU MD2 1 45 ILE MD 5.000 . 6.000 3.542 3.058 4.149 . 0 0 "[ . 1]" 1
380 1 43 LEU MD2 1 56 SER QB 4.500 . 5.500 3.578 3.305 3.804 . 0 0 "[ . 1]" 1
381 1 43 LEU MD2 1 58 PHE QD 4.500 . 5.500 3.871 3.397 4.202 . 0 0 "[ . 1]" 1
382 1 43 LEU MD2 1 58 PHE QE 4.500 . 5.500 2.551 2.121 2.925 . 0 0 "[ . 1]" 1
383 1 43 LEU MD2 1 70 CYS QB 4.500 . 5.500 2.991 2.360 3.467 . 0 0 "[ . 1]" 1
384 1 43 LEU MD2 1 73 TRP HE3 4.500 . 5.500 2.813 2.412 3.246 . 0 0 "[ . 1]" 1
385 1 43 LEU MD2 1 74 LEU QD 4.500 . 5.500 2.272 1.959 2.683 . 0 0 "[ . 1]" 1
386 1 43 LEU MD2 1 74 LEU HG 4.500 . 5.500 2.787 2.559 3.148 . 0 0 "[ . 1]" 1
387 1 43 LEU HG 1 74 LEU HG 4.000 . 5.000 5.134 5.027 5.289 0.289 5 0 "[ . 1]" 1
388 1 44 ARG H 1 44 ARG QG 4.200 . 6.200 4.013 3.936 4.100 . 0 0 "[ . 1]" 1
389 1 44 ARG HA 1 45 ILE H 4.200 . 5.200 2.168 2.132 2.206 . 0 0 "[ . 1]" 1
390 1 44 ARG HA 1 55 THR HA . . 3.300 2.506 2.305 2.763 . 0 0 "[ . 1]" 1
391 1 44 ARG HA 1 55 THR HB 4.000 . 5.000 4.256 3.074 5.054 0.054 8 0 "[ . 1]" 1
392 1 44 ARG HA 1 55 THR MG 4.500 . 5.500 3.156 2.011 4.560 . 0 0 "[ . 1]" 1
393 1 44 ARG HA 1 56 SER H 4.200 . 5.200 3.501 3.073 3.850 . 0 0 "[ . 1]" 1
394 1 44 ARG QB 1 45 ILE H 4.200 . 5.200 3.806 3.693 3.895 . 0 0 "[ . 1]" 1
395 1 44 ARG QB 1 55 THR HA 4.000 . 5.000 4.061 3.735 4.380 . 0 0 "[ . 1]" 1
396 1 44 ARG QB 1 55 THR MG 4.500 . 5.500 3.267 2.561 5.032 . 0 0 "[ . 1]" 1
397 1 44 ARG QD 1 55 THR MG 4.500 . 5.500 3.712 2.754 5.167 . 0 0 "[ . 1]" 1
398 1 44 ARG QG 1 45 ILE H 4.200 . 5.200 2.927 2.648 3.104 . 0 0 "[ . 1]" 1
399 1 44 ARG QG 1 55 THR HB 4.000 . 5.000 4.306 2.529 5.002 0.002 8 0 "[ . 1]" 1
400 1 44 ARG QG 1 55 THR MG 4.500 . 5.500 2.791 1.957 4.433 . 0 0 "[ . 1]" 1
401 1 45 ILE H 1 45 ILE HB 4.200 . 5.200 2.595 2.494 2.733 . 0 0 "[ . 1]" 1
402 1 45 ILE H 1 45 ILE MD 4.700 . 5.700 3.532 3.382 3.616 . 0 0 "[ . 1]" 1
403 1 45 ILE H 1 45 ILE HG13 4.200 . 5.200 3.914 3.760 4.008 . 0 0 "[ . 1]" 1
404 1 45 ILE H 1 54 ASP H 4.400 . 5.400 3.388 3.185 3.730 . 0 0 "[ . 1]" 1
405 1 45 ILE H 1 55 THR HA 4.200 . 5.200 3.190 2.841 3.368 . 0 0 "[ . 1]" 1
406 1 45 ILE HA 1 45 ILE MD 4.500 . 5.500 2.143 2.087 2.293 . 0 0 "[ . 1]" 1
407 1 45 ILE HA 1 45 ILE HG12 4.000 . 5.000 3.148 3.074 3.257 . 0 0 "[ . 1]" 1
408 1 45 ILE HA 1 45 ILE HG13 4.000 . 5.000 3.812 3.773 3.890 . 0 0 "[ . 1]" 1
409 1 45 ILE HA 1 45 ILE MG 3.500 . 3.800 2.377 2.314 2.420 . 0 0 "[ . 1]" 1
410 1 45 ILE HA 1 46 GLU H 3.200 . 3.500 2.276 2.179 2.412 . 0 0 "[ . 1]" 1
411 1 45 ILE HB 1 53 ILE HG12 4.000 . 5.000 4.734 4.281 5.074 0.074 2 0 "[ . 1]" 1
412 1 45 ILE HB 1 54 ASP H 4.200 . 5.200 2.683 2.035 3.466 . 0 0 "[ . 1]" 1
413 1 45 ILE MD 1 54 ASP HB2 4.500 . 6.500 6.100 5.775 6.520 0.020 7 0 "[ . 1]" 1
414 1 45 ILE MD 1 54 ASP QB 4.500 . 5.500 4.814 4.456 5.304 . 0 0 "[ . 1]" 1
415 1 45 ILE MD 1 54 ASP HB3 4.500 . 6.500 5.045 4.635 5.616 . 0 0 "[ . 1]" 1
416 1 45 ILE MD 1 56 SER QB 4.500 . 6.500 5.687 5.174 6.227 . 0 0 "[ . 1]" 1
417 1 45 ILE MD 1 73 TRP HH2 4.500 . 5.500 4.050 3.380 4.506 . 0 0 "[ . 1]" 1
418 1 45 ILE MD 1 74 LEU HA 4.500 . 5.500 4.738 4.254 5.130 . 0 0 "[ . 1]" 1
419 1 45 ILE MD 1 74 LEU QD 4.500 . 5.500 2.534 2.246 3.033 . 0 0 "[ . 1]" 1
420 1 45 ILE MD 1 74 LEU HG 4.500 . 5.500 4.804 4.445 5.531 0.031 3 0 "[ . 1]" 1
421 1 45 ILE MD 1 77 MET ME 4.500 . 5.500 3.255 2.760 3.681 . 0 0 "[ . 1]" 1
422 1 45 ILE MD 1 77 MET HG2 4.500 . 5.500 5.340 4.823 5.608 0.108 4 0 "[ . 1]" 1
423 1 45 ILE HG12 1 45 ILE MG 3.500 . 3.800 3.204 3.198 3.207 . 0 0 "[ . 1]" 1
424 1 45 ILE HG12 1 46 GLU H 4.200 . 6.200 5.220 5.143 5.319 . 0 0 "[ . 1]" 1
425 1 45 ILE HG12 1 56 SER QB 4.000 . 6.000 5.298 4.650 5.750 . 0 0 "[ . 1]" 1
426 1 45 ILE HG12 1 73 TRP HH2 4.000 . 5.000 3.067 2.657 3.554 . 0 0 "[ . 1]" 1
427 1 45 ILE HG13 1 53 ILE HB 4.000 . 5.000 4.554 4.035 5.004 0.004 2 0 "[ . 1]" 1
428 1 45 ILE HG13 1 53 ILE MG 4.500 . 6.500 4.052 3.746 4.768 . 0 0 "[ . 1]" 1
429 1 45 ILE HG13 1 73 TRP HH2 4.000 . 5.000 2.889 2.394 3.347 . 0 0 "[ . 1]" 1
430 1 45 ILE MG 1 46 GLU H 4.700 . 5.700 2.642 2.471 2.767 . 0 0 "[ . 1]" 1
431 1 45 ILE MG 1 46 GLU HA 4.500 . 5.500 3.455 3.221 3.770 . 0 0 "[ . 1]" 1
432 1 45 ILE MG 1 46 GLU QB 4.500 . 6.500 4.449 4.294 4.580 . 0 0 "[ . 1]" 1
433 1 45 ILE MG 1 53 ILE H 4.700 . 6.700 4.008 3.651 4.365 . 0 0 "[ . 1]" 1
434 1 45 ILE MG 1 54 ASP H 4.700 . 5.700 3.695 3.441 4.161 . 0 0 "[ . 1]" 1
435 1 45 ILE MG 1 73 TRP HH2 4.500 . 5.500 4.467 4.114 5.128 . 0 0 "[ . 1]" 1
436 1 45 ILE MG 1 77 MET QB 4.500 . 5.500 4.823 4.353 5.377 . 0 0 "[ . 1]" 1
437 1 45 ILE MG 1 77 MET ME 4.500 . 5.500 2.767 2.100 3.505 . 0 0 "[ . 1]" 1
438 1 45 ILE MG 1 77 MET HG3 4.500 . 6.500 5.393 4.734 5.970 . 0 0 "[ . 1]" 1
439 1 46 GLU H 1 53 ILE HG12 4.200 . 5.200 4.203 3.928 4.423 . 0 0 "[ . 1]" 1
440 1 46 GLU H 1 53 ILE HG13 4.200 . 6.200 4.394 4.126 4.727 . 0 0 "[ . 1]" 1
441 1 46 GLU HA 1 47 ASP H 3.200 . 3.500 2.389 2.243 2.660 . 0 0 "[ . 1]" 1
442 1 46 GLU HA 1 53 ILE H 4.200 . 5.200 2.322 2.096 2.857 . 0 0 "[ . 1]" 1
443 1 46 GLU HA 1 53 ILE HB 4.000 . 5.000 3.170 2.687 3.890 . 0 0 "[ . 1]" 1
444 1 46 GLU HA 1 53 ILE MD 4.500 . 5.500 3.936 3.640 4.600 . 0 0 "[ . 1]" 1
445 1 46 GLU HA 1 53 ILE HG12 4.000 . 5.000 2.324 1.943 3.147 . 0 0 "[ . 1]" 1
446 1 46 GLU HA 1 53 ILE HG13 4.000 . 5.000 3.603 3.159 4.441 . 0 0 "[ . 1]" 1
447 1 46 GLU QB 1 47 ASP H 4.200 . 5.200 2.639 1.982 3.567 . 0 0 "[ . 1]" 1
448 1 46 GLU QB 1 47 ASP QB 4.000 . 5.000 4.341 3.818 5.060 0.060 10 0 "[ . 1]" 1
449 1 46 GLU QB 1 52 LEU QB 4.000 . 5.000 4.050 3.095 4.697 . 0 0 "[ . 1]" 1
450 1 46 GLU QB 1 53 ILE MD 4.500 . 6.500 5.145 4.651 5.897 . 0 0 "[ . 1]" 1
451 1 46 GLU QB 1 53 ILE HG12 4.000 . 5.000 4.174 3.639 4.971 . 0 0 "[ . 1]" 1
452 1 46 GLU QB 1 53 ILE HG13 4.000 . 6.000 5.256 4.880 5.790 . 0 0 "[ . 1]" 1
453 1 47 ASP H 1 51 ASN H 4.400 . 5.400 3.893 2.860 4.793 . 0 0 "[ . 1]" 1
454 1 47 ASP H 1 53 ILE MD 4.700 . 5.700 3.740 3.310 4.412 . 0 0 "[ . 1]" 1
455 1 47 ASP H 1 53 ILE HG12 4.200 . 5.200 2.875 2.191 3.444 . 0 0 "[ . 1]" 1
456 1 47 ASP HA 1 53 ILE MD 4.500 . 5.500 3.960 3.369 4.423 . 0 0 "[ . 1]" 1
457 1 47 ASP QB 1 48 ARG H 3.200 . 3.500 3.193 2.663 3.400 . 0 0 "[ . 1]" 1
458 1 47 ASP QB 1 48 ARG QD 4.000 . 5.000 4.489 3.782 5.392 0.392 3 0 "[ . 1]" 1
459 1 47 ASP QB 1 49 SER H 4.200 . 5.200 3.004 2.554 3.411 . 0 0 "[ . 1]" 1
460 1 47 ASP QB 1 49 SER QB 4.000 . 5.000 3.838 3.291 4.216 . 0 0 "[ . 1]" 1
461 1 47 ASP QB 1 51 ASN H 4.200 . 5.200 2.887 2.104 3.673 . 0 0 "[ . 1]" 1
462 1 47 ASP QB 1 51 ASN QB 4.000 . 5.000 2.100 1.804 2.844 . 0 0 "[ . 1]" 1
463 1 47 ASP QB 1 53 ILE MD 4.500 . 5.500 2.468 1.980 3.121 . 0 0 "[ . 1]" 1
464 1 47 ASP QB 1 53 ILE HG12 4.000 . 5.000 3.177 2.647 3.739 . 0 0 "[ . 1]" 1
465 1 47 ASP QB 1 53 ILE HG13 4.000 . 6.000 3.758 3.028 4.528 . 0 0 "[ . 1]" 1
466 1 47 ASP HB2 1 48 ARG H 4.200 . 5.200 3.740 3.546 3.905 . 0 0 "[ . 1]" 1
467 1 47 ASP HB3 1 48 ARG H 4.200 . 5.200 3.497 2.752 3.936 . 0 0 "[ . 1]" 1
468 1 48 ARG H 1 48 ARG QB 3.200 . 3.500 2.635 2.344 2.849 . 0 0 "[ . 1]" 1
469 1 48 ARG H 1 48 ARG QG 4.200 . 5.200 2.502 1.742 3.219 0.058 10 0 "[ . 1]" 1
470 1 48 ARG H 1 49 SER H 4.400 . 5.400 2.618 1.829 3.043 . 0 0 "[ . 1]" 1
471 1 48 ARG H 1 51 ASN H 4.400 . 6.400 5.407 4.690 6.369 . 0 0 "[ . 1]" 1
472 1 48 ARG HA 1 48 ARG QD 4.000 . 5.000 3.796 3.487 4.414 . 0 0 "[ . 1]" 1
473 1 48 ARG QB 1 49 SER H 4.200 . 5.200 3.796 2.634 4.075 . 0 0 "[ . 1]" 1
474 1 48 ARG QD 1 49 SER QB 4.000 . 5.000 3.868 2.469 5.118 0.118 4 0 "[ . 1]" 1
475 1 49 SER H 1 49 SER HB2 4.200 . 5.200 2.791 2.454 3.166 . 0 0 "[ . 1]" 1
476 1 49 SER H 1 49 SER QB 3.200 . 3.500 2.498 2.269 2.663 . 0 0 "[ . 1]" 1
477 1 49 SER H 1 49 SER HB3 4.200 . 5.200 3.070 2.503 3.807 . 0 0 "[ . 1]" 1
478 1 49 SER H 1 51 ASN H 4.400 . 5.400 3.684 3.068 4.560 . 0 0 "[ . 1]" 1
479 1 49 SER H 1 51 ASN QB 4.200 . 5.200 4.200 3.758 5.052 . 0 0 "[ . 1]" 1
480 1 49 SER QB 1 51 ASN H 4.200 . 5.200 3.913 2.722 4.948 . 0 0 "[ . 1]" 1
481 1 49 SER QB 1 51 ASN QB 4.000 . 5.000 3.777 3.039 4.595 . 0 0 "[ . 1]" 1
482 1 50 GLY H 1 51 ASN H 4.400 . 5.400 2.870 1.979 3.630 . 0 0 "[ . 1]" 1
483 1 51 ASN H 1 51 ASN HB2 4.200 . 5.200 2.885 2.309 3.454 . 0 0 "[ . 1]" 1
484 1 51 ASN H 1 51 ASN QB 3.200 . 3.500 2.592 2.196 2.872 . 0 0 "[ . 1]" 1
485 1 51 ASN H 1 51 ASN HB3 4.200 . 5.200 3.285 2.750 3.941 . 0 0 "[ . 1]" 1
486 1 51 ASN HA 1 52 LEU H 3.200 . 3.500 2.328 2.081 3.419 . 0 0 "[ . 1]" 1
487 1 51 ASN HA 1 52 LEU QB 4.000 . 5.000 4.422 3.870 5.012 0.012 2 0 "[ . 1]" 1
488 1 51 ASN QB 1 52 LEU H 4.200 . 5.200 3.290 2.108 3.931 . 0 0 "[ . 1]" 1
489 1 51 ASN QB 1 53 ILE MD 4.500 . 5.500 3.482 2.828 3.882 . 0 0 "[ . 1]" 1
490 1 51 ASN HB2 1 52 LEU H 4.200 . 5.200 4.039 3.312 4.425 . 0 0 "[ . 1]" 1
491 1 51 ASN HB2 1 53 ILE MD 4.500 . 5.500 4.413 3.152 5.340 . 0 0 "[ . 1]" 1
492 1 51 ASN HB3 1 52 LEU H 4.200 . 5.200 3.620 2.123 4.400 . 0 0 "[ . 1]" 1
493 1 51 ASN HB3 1 53 ILE MD 4.500 . 5.500 3.700 3.160 4.026 . 0 0 "[ . 1]" 1
494 1 52 LEU H 1 52 LEU HB2 4.200 . 5.200 3.528 2.589 4.031 . 0 0 "[ . 1]" 1
495 1 52 LEU H 1 52 LEU QB 3.200 . 3.500 2.670 2.449 2.990 . 0 0 "[ . 1]" 1
496 1 52 LEU H 1 52 LEU HB3 4.200 . 5.200 2.871 2.491 3.736 . 0 0 "[ . 1]" 1
497 1 52 LEU H 1 53 ILE HG12 4.200 . 6.200 5.265 4.541 5.532 . 0 0 "[ . 1]" 1
498 1 52 LEU HA 1 53 ILE HG12 4.000 . 5.000 3.647 3.571 3.844 . 0 0 "[ . 1]" 1
499 1 52 LEU HA 1 54 ASP H 4.200 . 5.200 4.467 4.090 4.704 . 0 0 "[ . 1]" 1
500 1 53 ILE H 1 53 ILE HB 4.200 . 5.200 2.587 2.527 2.637 . 0 0 "[ . 1]" 1
501 1 53 ILE H 1 53 ILE MD 4.700 . 5.700 3.576 3.181 3.770 . 0 0 "[ . 1]" 1
502 1 53 ILE H 1 53 ILE HG12 4.200 . 5.200 2.668 2.202 2.921 . 0 0 "[ . 1]" 1
503 1 53 ILE H 1 53 ILE HG13 4.200 . 5.200 4.023 3.693 4.190 . 0 0 "[ . 1]" 1
504 1 53 ILE H 1 54 ASP H 4.400 . 5.400 2.386 1.870 2.927 . 0 0 "[ . 1]" 1
505 1 53 ILE HA 1 53 ILE MD 3.500 . 3.800 2.048 2.011 2.090 . 0 0 "[ . 1]" 1
506 1 53 ILE HA 1 53 ILE HG12 4.000 . 5.000 3.077 3.042 3.137 . 0 0 "[ . 1]" 1
507 1 53 ILE HA 1 53 ILE HG13 4.000 . 5.000 3.735 3.721 3.748 . 0 0 "[ . 1]" 1
508 1 53 ILE HA 1 53 ILE MG 3.500 . 3.800 2.415 2.371 2.454 . 0 0 "[ . 1]" 1
509 1 53 ILE HA 1 54 ASP HA 4.000 . 5.000 4.692 4.661 4.733 . 0 0 "[ . 1]" 1
510 1 53 ILE HB 1 54 ASP H 4.200 . 5.200 2.362 2.203 2.557 . 0 0 "[ . 1]" 1
511 1 53 ILE MD 1 54 ASP H 4.700 . 5.700 4.632 4.603 4.669 . 0 0 "[ . 1]" 1
512 1 53 ILE MD 1 81 LEU MD2 5.000 . 6.000 4.358 3.508 5.117 . 0 0 "[ . 1]" 1
513 1 53 ILE HG12 1 54 ASP H 4.200 . 5.200 4.199 4.146 4.278 . 0 0 "[ . 1]" 1
514 1 53 ILE HG13 1 53 ILE MG 3.500 . 3.800 2.362 2.341 2.381 . 0 0 "[ . 1]" 1
515 1 53 ILE MG 1 54 ASP H 4.700 . 5.700 3.173 3.021 3.384 . 0 0 "[ . 1]" 1
516 1 53 ILE MG 1 54 ASP QB 4.500 . 5.500 2.445 2.282 2.677 . 0 0 "[ . 1]" 1
517 1 53 ILE MG 1 81 LEU MD1 5.000 . 6.000 3.713 3.025 4.645 . 0 0 "[ . 1]" 1
518 1 53 ILE MG 1 81 LEU MD2 4.000 . 4.300 4.082 3.592 4.425 0.125 6 0 "[ . 1]" 1
519 1 54 ASP HA 1 55 THR MG 4.500 . 5.500 4.086 3.642 5.424 . 0 0 "[ . 1]" 1
520 1 54 ASP QB 1 73 TRP HH2 4.000 . 5.000 2.401 2.014 3.138 . 0 0 "[ . 1]" 1
521 1 54 ASP QB 1 73 TRP HZ2 4.000 . 5.000 3.214 2.828 3.722 . 0 0 "[ . 1]" 1
522 1 54 ASP QB 1 77 MET ME 3.000 . 3.300 3.218 2.667 3.449 0.149 1 0 "[ . 1]" 1
523 1 55 THR H 1 73 TRP HZ2 4.200 . 5.200 4.486 3.796 5.331 0.131 10 0 "[ . 1]" 1
524 1 55 THR HA 1 56 SER H 4.200 . 5.200 2.269 2.216 2.344 . 0 0 "[ . 1]" 1
525 1 55 THR HA 1 73 TRP HH2 4.000 . 5.000 4.596 4.279 5.023 0.023 10 0 "[ . 1]" 1
526 1 56 SER HA 1 57 THR H 3.200 . 3.500 2.224 2.178 2.293 . 0 0 "[ . 1]" 1
527 1 56 SER HA 1 57 THR HB 4.000 . 6.000 4.611 4.534 4.689 . 0 0 "[ . 1]" 1
528 1 56 SER QB 1 57 THR H 4.200 . 5.200 3.403 2.717 3.675 . 0 0 "[ . 1]" 1
529 1 56 SER QB 1 58 PHE QE 4.000 . 5.000 2.757 2.342 3.127 . 0 0 "[ . 1]" 1
530 1 56 SER QB 1 73 TRP HE1 4.000 . 5.000 4.587 3.703 5.038 0.038 2 0 "[ . 1]" 1
531 1 56 SER QB 1 73 TRP HZ2 4.000 . 5.000 3.874 2.743 4.477 . 0 0 "[ . 1]" 1
532 1 57 THR H 1 57 THR HB 4.200 . 5.200 2.672 2.583 2.793 . 0 0 "[ . 1]" 1
533 1 57 THR HA 1 57 THR MG 3.500 . 3.800 2.379 2.331 2.421 . 0 0 "[ . 1]" 1
534 1 57 THR HA 1 58 PHE H 4.200 . 5.200 2.185 2.118 2.242 . 0 0 "[ . 1]" 1
535 1 57 THR MG 1 58 PHE H 4.700 . 5.700 2.625 2.384 2.780 . 0 0 "[ . 1]" 1
536 1 57 THR MG 1 59 TYR QD 4.500 . 5.500 2.410 1.892 3.536 . 0 0 "[ . 1]" 1
537 1 57 THR MG 1 59 TYR QE 4.500 . 5.500 3.145 2.111 4.430 . 0 0 "[ . 1]" 1
538 1 58 PHE H 1 58 PHE QD 4.200 . 5.200 2.988 2.806 3.246 . 0 0 "[ . 1]" 1
539 1 58 PHE H 1 59 TYR H 4.400 . 5.400 4.308 4.177 4.425 . 0 0 "[ . 1]" 1
540 1 58 PHE HA 1 59 TYR H 3.200 . 3.500 2.145 2.063 2.204 . 0 0 "[ . 1]" 1
541 1 58 PHE HA 1 69 MET ME 4.000 . 5.000 4.512 4.092 5.035 0.035 9 0 "[ . 1]" 1
542 1 58 PHE QB 1 59 TYR H 4.200 . 5.200 3.253 2.957 3.443 . 0 0 "[ . 1]" 1
543 1 58 PHE QB 1 59 TYR QB 4.000 . 6.000 4.770 4.617 5.094 . 0 0 "[ . 1]" 1
544 1 58 PHE QB 1 66 LEU QD 3.000 . 3.300 2.143 1.856 2.844 . 0 0 "[ . 1]" 1
545 1 58 PHE QD 1 66 LEU QD 4.000 . 5.000 3.258 2.340 4.147 . 0 0 "[ . 1]" 1
546 1 58 PHE QE 1 73 TRP QB 4.000 . 5.000 3.851 3.442 4.272 . 0 0 "[ . 1]" 1
547 1 58 PHE QE 1 73 TRP HE3 4.000 . 5.000 4.715 4.196 5.014 0.014 6 0 "[ . 1]" 1
548 1 59 TYR H 1 59 TYR QD 4.200 . 5.200 2.968 2.436 3.548 . 0 0 "[ . 1]" 1
549 1 59 TYR H 1 69 MET ME 4.200 . 5.200 4.536 4.073 5.147 . 0 0 "[ . 1]" 1
550 1 59 TYR HA 1 59 TYR QD 4.000 . 5.000 3.584 2.857 3.785 . 0 0 "[ . 1]" 1
551 1 59 TYR HA 1 66 LEU MD1 4.500 . 5.500 4.345 3.499 4.709 . 0 0 "[ . 1]" 1
552 1 59 TYR HA 1 66 LEU QD 4.000 . 5.000 2.962 2.670 3.352 . 0 0 "[ . 1]" 1
553 1 59 TYR HA 1 66 LEU MD2 4.500 . 5.500 3.104 2.689 4.293 . 0 0 "[ . 1]" 1
554 1 59 TYR HA 1 66 LEU HG 4.000 . 5.000 4.837 3.946 5.256 0.256 5 0 "[ . 1]" 1
555 1 59 TYR QB 1 66 LEU QD 4.000 . 5.000 4.289 4.030 4.679 . 0 0 "[ . 1]" 1
556 1 60 HIS HD2 1 65 VAL MG1 4.500 . 5.500 4.434 3.437 5.430 . 0 0 "[ . 1]" 1
557 1 60 HIS HD2 1 65 VAL QG 4.000 . 5.000 4.155 3.409 4.930 . 0 0 "[ . 1]" 1
558 1 60 HIS HD2 1 65 VAL MG2 4.500 . 5.500 5.230 4.558 5.725 0.225 6 0 "[ . 1]" 1
559 1 60 HIS HD2 1 69 MET ME 4.000 . 5.000 4.341 2.011 5.089 0.089 5 0 "[ . 1]" 1
560 1 62 ASP HA 1 63 GLU H 4.200 . 5.200 2.281 2.082 2.769 . 0 0 "[ . 1]" 1
561 1 62 ASP QB 1 65 VAL H 4.200 . 5.200 3.459 2.353 4.246 . 0 0 "[ . 1]" 1
562 1 62 ASP QB 1 65 VAL HB 4.000 . 5.000 3.487 1.795 5.290 0.290 8 0 "[ . 1]" 1
563 1 62 ASP QB 1 65 VAL QG 4.000 . 5.000 3.247 2.272 4.177 . 0 0 "[ . 1]" 1
564 1 63 GLU H 1 63 GLU QG 4.200 . 5.200 2.781 1.716 3.949 0.084 2 0 "[ . 1]" 1
565 1 63 GLU H 1 64 ASP H 4.400 . 5.400 2.866 2.267 3.261 . 0 0 "[ . 1]" 1
566 1 63 GLU HA 1 66 LEU H 4.200 . 5.200 3.646 2.998 4.134 . 0 0 "[ . 1]" 1
567 1 63 GLU HA 1 66 LEU HB2 4.000 . 5.000 3.066 2.449 3.634 . 0 0 "[ . 1]" 1
568 1 63 GLU HA 1 66 LEU HB3 4.000 . 5.000 3.396 2.165 4.969 . 0 0 "[ . 1]" 1
569 1 63 GLU HA 1 66 LEU QD 4.000 . 5.000 3.923 2.090 4.907 . 0 0 "[ . 1]" 1
570 1 63 GLU HA 1 67 PHE H 4.200 . 5.200 4.119 3.390 4.650 . 0 0 "[ . 1]" 1
571 1 63 GLU QB 1 66 LEU HB2 4.000 . 5.000 4.846 4.410 5.336 0.336 6 0 "[ . 1]" 1
572 1 63 GLU HB2 1 66 LEU HB2 4.000 . 6.000 5.463 4.887 6.019 0.019 7 0 "[ . 1]" 1
573 1 63 GLU HB3 1 66 LEU HB2 4.000 . 6.000 5.455 4.667 6.079 0.079 6 0 "[ . 1]" 1
574 1 63 GLU QG 1 66 LEU QD 4.000 . 6.000 5.456 3.915 5.986 . 0 0 "[ . 1]" 1
575 1 64 ASP H 1 64 ASP HB2 4.200 . 5.200 2.646 2.420 3.703 . 0 0 "[ . 1]" 1
576 1 64 ASP H 1 64 ASP QB 3.200 . 3.500 2.325 2.222 2.511 . 0 0 "[ . 1]" 1
577 1 64 ASP H 1 64 ASP HB3 4.200 . 5.200 2.838 2.413 3.619 . 0 0 "[ . 1]" 1
578 1 64 ASP H 1 65 VAL H 4.400 . 5.400 2.748 2.534 2.921 . 0 0 "[ . 1]" 1
579 1 64 ASP QB 1 65 VAL H 4.200 . 5.200 2.483 2.162 3.576 . 0 0 "[ . 1]" 1
580 1 64 ASP QB 1 65 VAL HA 4.000 . 5.000 4.085 3.741 4.562 . 0 0 "[ . 1]" 1
581 1 64 ASP QB 1 65 VAL QG 4.000 . 5.000 3.328 2.812 4.181 . 0 0 "[ . 1]" 1
582 1 64 ASP HB2 1 65 VAL H 4.200 . 5.200 3.398 2.199 4.107 . 0 0 "[ . 1]" 1
583 1 64 ASP HB3 1 65 VAL H 4.200 . 5.200 2.828 2.205 3.935 . 0 0 "[ . 1]" 1
584 1 65 VAL H 1 65 VAL HB 4.200 . 5.200 2.523 2.428 2.627 . 0 0 "[ . 1]" 1
585 1 65 VAL H 1 65 VAL QG 3.200 . 3.500 2.147 1.976 2.328 . 0 0 "[ . 1]" 1
586 1 65 VAL H 1 66 LEU H 4.400 . 5.400 2.657 2.452 2.834 . 0 0 "[ . 1]" 1
587 1 65 VAL HA 1 65 VAL MG1 3.500 . 3.800 2.678 2.417 3.225 . 0 0 "[ . 1]" 1
588 1 65 VAL HA 1 65 VAL MG2 3.500 . 3.800 2.354 2.294 2.392 . 0 0 "[ . 1]" 1
589 1 65 VAL HA 1 68 ASN H 4.200 . 5.200 3.748 3.536 3.944 . 0 0 "[ . 1]" 1
590 1 65 VAL HA 1 68 ASN QB 4.000 . 5.000 2.723 2.446 3.054 . 0 0 "[ . 1]" 1
591 1 65 VAL HA 1 69 MET HG3 4.000 . 5.000 4.079 3.638 4.519 . 0 0 "[ . 1]" 1
592 1 65 VAL HB 1 66 LEU H 4.200 . 5.200 3.125 2.623 4.071 . 0 0 "[ . 1]" 1
593 1 65 VAL HB 1 69 MET ME 4.000 . 6.000 4.021 3.586 4.842 . 0 0 "[ . 1]" 1
594 1 65 VAL QG 1 66 LEU H 4.200 . 5.200 2.958 2.209 3.295 . 0 0 "[ . 1]" 1
595 1 65 VAL QG 1 68 ASN QB 4.000 . 5.000 3.465 3.257 3.648 . 0 0 "[ . 1]" 1
596 1 65 VAL QG 1 69 MET ME 3.000 . 3.300 2.055 1.915 2.351 . 0 0 "[ . 1]" 1
597 1 65 VAL QG 1 69 MET HG2 4.000 . 5.000 3.610 3.082 4.163 . 0 0 "[ . 1]" 1
598 1 65 VAL QG 1 69 MET HG3 4.000 . 5.000 2.559 2.144 3.047 . 0 0 "[ . 1]" 1
599 1 66 LEU H 1 66 LEU HB2 4.200 . 5.200 2.208 2.092 2.328 . 0 0 "[ . 1]" 1
600 1 66 LEU H 1 66 LEU HB3 4.200 . 5.200 3.003 2.697 3.589 . 0 0 "[ . 1]" 1
601 1 66 LEU H 1 66 LEU QD 4.200 . 5.200 3.336 2.159 3.618 . 0 0 "[ . 1]" 1
602 1 66 LEU H 1 66 LEU HG 4.200 . 5.200 4.296 2.781 4.535 . 0 0 "[ . 1]" 1
603 1 66 LEU H 1 67 PHE H 4.400 . 5.400 2.967 2.628 3.091 . 0 0 "[ . 1]" 1
604 1 66 LEU HA 1 66 LEU MD1 4.500 . 5.500 2.707 1.912 3.841 . 0 0 "[ . 1]" 1
605 1 66 LEU HA 1 66 LEU QD 3.000 . 3.300 1.931 1.812 2.022 . 0 0 "[ . 1]" 1
606 1 66 LEU HA 1 66 LEU MD2 4.500 . 5.500 2.067 1.887 2.810 . 0 0 "[ . 1]" 1
607 1 66 LEU HA 1 68 ASN QB 4.000 . 6.000 5.150 4.969 5.444 . 0 0 "[ . 1]" 1
608 1 66 LEU HA 1 69 MET ME 4.000 . 5.000 2.101 1.851 2.407 . 0 0 "[ . 1]" 1
609 1 66 LEU HB2 1 67 PHE H 4.200 . 5.200 3.268 2.555 3.646 . 0 0 "[ . 1]" 1
610 1 66 LEU HB3 1 67 PHE H 4.200 . 5.200 2.421 2.010 3.177 . 0 0 "[ . 1]" 1
611 1 66 LEU HB3 1 67 PHE HA 4.000 . 5.000 3.991 3.873 4.100 . 0 0 "[ . 1]" 1
612 1 66 LEU HB3 1 69 MET ME 4.000 . 6.000 4.488 4.150 4.765 . 0 0 "[ . 1]" 1
613 1 66 LEU QD 1 67 PHE H 4.200 . 5.200 3.466 3.164 3.999 . 0 0 "[ . 1]" 1
614 1 66 LEU QD 1 67 PHE QD 4.000 . 5.000 4.122 3.339 5.030 0.030 8 0 "[ . 1]" 1
615 1 66 LEU QD 1 69 MET ME 4.000 . 5.000 2.246 1.999 2.539 . 0 0 "[ . 1]" 1
616 1 66 LEU MD1 1 69 MET ME 4.500 . 5.500 3.333 2.023 4.674 . 0 0 "[ . 1]" 1
617 1 66 LEU MD2 1 69 MET ME 4.500 . 5.500 2.389 2.067 3.116 . 0 0 "[ . 1]" 1
618 1 67 PHE H 1 67 PHE QD 4.200 . 5.200 2.681 2.334 2.909 . 0 0 "[ . 1]" 1
619 1 67 PHE H 1 68 ASN H 4.400 . 5.400 2.817 2.572 3.048 . 0 0 "[ . 1]" 1
620 1 67 PHE H 1 68 ASN QB 4.200 . 5.200 4.553 4.257 4.786 . 0 0 "[ . 1]" 1
621 1 67 PHE HA 1 67 PHE QD 4.000 . 5.000 2.620 2.359 2.905 . 0 0 "[ . 1]" 1
622 1 67 PHE HA 1 68 ASN QB 4.000 . 6.000 5.180 5.128 5.224 . 0 0 "[ . 1]" 1
623 1 67 PHE HA 1 70 CYS H 4.200 . 5.200 3.275 2.944 3.585 . 0 0 "[ . 1]" 1
624 1 67 PHE HA 1 70 CYS QB 4.000 . 5.000 2.504 2.370 2.846 . 0 0 "[ . 1]" 1
625 1 67 PHE QB 1 71 THR MG 4.500 . 6.500 4.127 3.799 4.663 . 0 0 "[ . 1]" 1
626 1 68 ASN H 1 68 ASN QB 3.200 . 3.500 2.250 2.192 2.272 . 0 0 "[ . 1]" 1
627 1 68 ASN H 1 69 MET H 4.400 . 5.400 2.771 2.690 2.971 . 0 0 "[ . 1]" 1
628 1 68 ASN HA 1 71 THR H 4.200 . 5.200 3.826 3.463 4.159 . 0 0 "[ . 1]" 1
629 1 68 ASN HA 1 71 THR MG 4.500 . 5.500 2.390 2.055 2.793 . 0 0 "[ . 1]" 1
630 1 68 ASN QB 1 69 MET H 4.200 . 5.200 2.418 2.187 2.600 . 0 0 "[ . 1]" 1
631 1 68 ASN QB 1 69 MET HG2 4.000 . 5.000 4.447 4.225 4.600 . 0 0 "[ . 1]" 1
632 1 68 ASN QB 1 69 MET HG3 4.000 . 5.000 3.439 3.307 3.731 . 0 0 "[ . 1]" 1
633 1 69 MET H 1 69 MET HG2 4.200 . 5.200 3.440 3.334 3.543 . 0 0 "[ . 1]" 1
634 1 69 MET H 1 69 MET HG3 4.200 . 5.200 2.337 2.264 2.430 . 0 0 "[ . 1]" 1
635 1 69 MET H 1 70 CYS H 4.400 . 5.400 2.717 2.528 2.918 . 0 0 "[ . 1]" 1
636 1 69 MET HA 1 69 MET HG2 4.000 . 5.000 2.506 2.458 2.534 . 0 0 "[ . 1]" 1
637 1 69 MET HA 1 69 MET HG3 4.000 . 5.000 3.117 3.055 3.169 . 0 0 "[ . 1]" 1
638 1 69 MET ME 1 69 MET HG3 3.000 . 3.300 2.481 2.453 2.504 . 0 0 "[ . 1]" 1
639 1 70 CYS H 1 71 THR H 4.400 . 5.400 2.852 2.727 3.258 . 0 0 "[ . 1]" 1
640 1 70 CYS QB 1 71 THR H 4.200 . 5.200 2.572 2.222 2.845 . 0 0 "[ . 1]" 1
641 1 70 CYS QB 1 74 LEU QD 4.000 . 5.000 3.770 3.453 4.181 . 0 0 "[ . 1]" 1
642 1 70 CYS HB2 1 71 THR H 4.200 . 5.200 2.635 2.265 2.932 . 0 0 "[ . 1]" 1
643 1 70 CYS HB3 1 71 THR H 4.200 . 5.200 3.605 3.220 3.836 . 0 0 "[ . 1]" 1
644 1 71 THR H 1 71 THR HB 4.200 . 5.200 2.684 2.513 2.753 . 0 0 "[ . 1]" 1
645 1 71 THR H 1 72 ASP QB 4.200 . 5.200 4.369 4.110 4.760 . 0 0 "[ . 1]" 1
646 1 71 THR H 1 73 TRP QB 4.200 . 6.200 5.195 4.768 5.614 . 0 0 "[ . 1]" 1
647 1 71 THR HA 1 71 THR HB 3.000 . 3.300 2.438 2.383 2.459 . 0 0 "[ . 1]" 1
648 1 71 THR HA 1 74 LEU H 4.200 . 5.200 3.606 3.379 3.770 . 0 0 "[ . 1]" 1
649 1 71 THR HA 1 74 LEU QD 4.000 . 5.000 2.635 2.121 3.374 . 0 0 "[ . 1]" 1
650 1 71 THR HB 1 74 LEU QD 4.000 . 5.000 4.277 3.815 4.989 . 0 0 "[ . 1]" 1
651 1 71 THR MG 1 72 ASP QB 4.500 . 5.500 3.132 2.960 3.238 . 0 0 "[ . 1]" 1
652 1 71 THR MG 1 73 TRP H 4.700 . 6.700 4.494 4.138 4.845 . 0 0 "[ . 1]" 1
653 1 72 ASP HB2 1 73 TRP H 4.200 . 5.200 3.942 3.728 4.207 . 0 0 "[ . 1]" 1
654 1 72 ASP HB3 1 73 TRP H 4.200 . 5.200 2.749 2.261 3.280 . 0 0 "[ . 1]" 1
655 1 73 TRP H 1 73 TRP HD1 4.200 . 6.200 4.937 4.693 5.184 . 0 0 "[ . 1]" 1
656 1 73 TRP H 1 74 LEU H 4.400 . 5.400 2.499 2.047 3.100 . 0 0 "[ . 1]" 1
657 1 73 TRP HA 1 73 TRP HD1 4.000 . 5.000 3.085 2.929 3.207 . 0 0 "[ . 1]" 1
658 1 73 TRP HE1 1 77 MET ME 4.000 . 5.000 4.969 4.424 5.157 0.157 7 0 "[ . 1]" 1
659 1 73 TRP HE3 1 74 LEU HA 4.000 . 5.000 3.033 2.700 3.412 . 0 0 "[ . 1]" 1
660 1 73 TRP HE3 1 74 LEU HG 4.000 . 5.000 2.970 2.643 3.430 . 0 0 "[ . 1]" 1
661 1 73 TRP HE3 1 76 HIS HD2 4.000 . 5.000 5.175 4.913 5.341 0.341 7 0 "[ . 1]" 1
662 1 73 TRP HZ2 1 76 HIS HD2 4.000 . 5.000 4.831 4.209 5.114 0.114 4 0 "[ . 1]" 1
663 1 73 TRP HZ2 1 77 MET ME 4.000 . 5.000 3.618 3.184 3.876 . 0 0 "[ . 1]" 1
664 1 73 TRP HZ3 1 76 HIS HD2 4.000 . 6.000 6.017 5.880 6.159 0.159 10 0 "[ . 1]" 1
665 1 74 LEU H 1 74 LEU HG 4.200 . 5.200 2.731 2.509 2.990 . 0 0 "[ . 1]" 1
666 1 74 LEU H 1 77 MET HG2 4.200 . 6.200 5.506 5.325 5.715 . 0 0 "[ . 1]" 1
667 1 74 LEU HA 1 74 LEU MD1 4.500 . 5.500 3.867 3.849 3.888 . 0 0 "[ . 1]" 1
668 1 74 LEU HA 1 74 LEU MD2 4.500 . 5.500 2.045 1.992 2.068 . 0 0 "[ . 1]" 1
669 1 74 LEU HA 1 74 LEU HG 4.000 . 5.000 2.953 2.880 3.021 . 0 0 "[ . 1]" 1
670 1 74 LEU HA 1 77 MET H 4.200 . 5.200 3.888 3.543 4.144 . 0 0 "[ . 1]" 1
671 1 74 LEU HA 1 77 MET ME 4.000 . 5.000 3.361 2.737 4.502 . 0 0 "[ . 1]" 1
672 1 74 LEU HA 1 77 MET HG2 3.000 . 3.300 3.085 2.747 3.531 0.231 10 0 "[ . 1]" 1
673 1 74 LEU QB 1 75 ASN H 4.200 . 5.200 2.530 2.406 2.664 . 0 0 "[ . 1]" 1
674 1 75 ASN H 1 76 HIS H 4.400 . 5.400 2.590 2.380 2.723 . 0 0 "[ . 1]" 1
675 1 75 ASN H 1 78 TYR H 4.400 . 5.400 5.459 5.346 5.591 0.191 2 0 "[ . 1]" 1
676 1 75 ASN HA 1 78 TYR HB2 4.000 . 5.000 3.521 3.268 3.777 . 0 0 "[ . 1]" 1
677 1 75 ASN HA 1 78 TYR QE 4.000 . 5.000 2.871 2.329 3.296 . 0 0 "[ . 1]" 1
678 1 75 ASN QB 1 76 HIS HA 4.000 . 5.000 3.974 3.781 4.115 . 0 0 "[ . 1]" 1
679 1 75 ASN QB 1 78 TYR H 4.200 . 6.200 4.992 4.752 5.226 . 0 0 "[ . 1]" 1
680 1 75 ASN QB 1 78 TYR HB2 4.000 . 5.000 4.719 4.233 5.191 0.191 5 0 "[ . 1]" 1
681 1 75 ASN QB 1 78 TYR QD 4.000 . 5.000 3.897 3.572 4.154 . 0 0 "[ . 1]" 1
682 1 75 ASN QB 1 79 ASP H 4.200 . 6.200 5.822 5.459 6.289 0.089 5 0 "[ . 1]" 1
683 1 76 HIS H 1 76 HIS HD2 4.200 . 5.200 4.316 3.294 4.739 . 0 0 "[ . 1]" 1
684 1 76 HIS H 1 77 MET H 4.400 . 5.400 2.861 2.779 2.905 . 0 0 "[ . 1]" 1
685 1 76 HIS H 1 78 TYR QD 4.200 . 5.200 4.479 4.200 5.122 . 0 0 "[ . 1]" 1
686 1 76 HIS HA 1 78 TYR H 4.200 . 5.200 4.244 4.082 4.365 . 0 0 "[ . 1]" 1
687 1 76 HIS HA 1 79 ASP H 4.200 . 6.200 4.397 3.512 4.873 . 0 0 "[ . 1]" 1
688 1 76 HIS QB 1 77 MET H 4.200 . 5.200 3.057 2.750 3.565 . 0 0 "[ . 1]" 1
689 1 76 HIS HD2 1 77 MET ME 4.000 . 5.000 3.718 3.247 4.665 . 0 0 "[ . 1]" 1
690 1 77 MET H 1 77 MET ME 4.200 . 5.200 3.821 3.567 4.589 . 0 0 "[ . 1]" 1
691 1 77 MET H 1 77 MET HG2 4.200 . 5.200 2.204 1.952 2.855 . 0 0 "[ . 1]" 1
692 1 77 MET H 1 77 MET HG3 4.200 . 5.200 2.994 2.054 3.268 . 0 0 "[ . 1]" 1
693 1 77 MET H 1 78 TYR QD 4.200 . 5.200 3.962 3.496 4.972 . 0 0 "[ . 1]" 1
694 1 77 MET HA 1 77 MET ME 4.000 . 5.000 4.069 3.586 4.214 . 0 0 "[ . 1]" 1
695 1 77 MET HA 1 80 GLN H 4.200 . 5.200 3.781 3.452 4.111 . 0 0 "[ . 1]" 1
696 1 77 MET QB 1 77 MET ME 4.000 . 5.000 1.993 1.959 2.037 . 0 0 "[ . 1]" 1
697 1 77 MET QB 1 80 GLN QB 4.000 . 5.000 4.059 3.537 4.620 . 0 0 "[ . 1]" 1
698 1 77 MET QB 1 81 LEU MD1 3.500 . 3.800 3.091 2.535 3.506 . 0 0 "[ . 1]" 1
699 1 77 MET QB 1 81 LEU HG 4.000 . 5.000 3.412 3.071 3.851 . 0 0 "[ . 1]" 1
700 1 77 MET HG2 1 78 TYR H 4.200 . 5.200 3.491 3.165 4.680 . 0 0 "[ . 1]" 1
701 1 77 MET HG3 1 78 TYR HB2 4.000 . 6.000 4.935 4.431 6.125 0.125 10 0 "[ . 1]" 1
702 1 77 MET HG3 1 81 LEU MD1 4.500 . 5.500 3.814 3.188 5.550 0.050 10 0 "[ . 1]" 1
703 1 78 TYR H 1 78 TYR HB2 4.200 . 5.200 2.400 2.350 2.485 . 0 0 "[ . 1]" 1
704 1 78 TYR H 1 78 TYR QD 4.200 . 5.200 2.536 2.033 3.313 . 0 0 "[ . 1]" 1
705 1 78 TYR H 1 79 ASP H 4.400 . 5.400 2.846 2.618 2.972 . 0 0 "[ . 1]" 1
706 1 78 TYR HA 1 78 TYR QD 4.000 . 5.000 2.729 1.947 3.099 . 0 0 "[ . 1]" 1
707 1 78 TYR HA 1 81 LEU QB 4.000 . 5.000 3.312 2.765 3.809 . 0 0 "[ . 1]" 1
708 1 78 TYR HA 1 81 LEU MD1 4.500 . 5.500 3.437 2.475 4.016 . 0 0 "[ . 1]" 1
709 1 78 TYR HA 1 81 LEU MD2 4.500 . 6.500 5.449 4.743 5.865 . 0 0 "[ . 1]" 1
710 1 78 TYR HB2 1 79 ASP H 4.200 . 5.200 2.621 2.372 2.790 . 0 0 "[ . 1]" 1
711 1 78 TYR HB2 1 79 ASP QB 4.000 . 6.000 4.188 3.895 4.804 . 0 0 "[ . 1]" 1
712 1 78 TYR QD 1 79 ASP H 4.200 . 5.200 4.292 3.989 4.504 . 0 0 "[ . 1]" 1
713 1 78 TYR QD 1 82 LYS QD 4.000 . 5.000 4.953 4.543 5.131 0.131 6 0 "[ . 1]" 1
714 1 78 TYR QD 1 82 LYS QE 4.000 . 5.000 3.269 2.993 3.743 . 0 0 "[ . 1]" 1
715 1 78 TYR QE 1 82 LYS QE 4.000 . 5.000 5.090 4.801 5.311 0.311 5 0 "[ . 1]" 1
716 1 79 ASP H 1 79 ASP QB 3.200 . 3.500 2.296 2.181 2.519 . 0 0 "[ . 1]" 1
717 1 79 ASP H 1 82 LYS QE 4.200 . 6.200 4.690 4.114 5.280 . 0 0 "[ . 1]" 1
718 1 79 ASP HA 1 82 LYS H 4.200 . 5.200 3.706 3.466 4.090 . 0 0 "[ . 1]" 1
719 1 79 ASP HA 1 82 LYS QB 3.000 . 3.300 2.851 2.214 3.325 0.025 7 0 "[ . 1]" 1
720 1 79 ASP HA 1 82 LYS QD 4.000 . 5.000 2.397 1.983 3.271 . 0 0 "[ . 1]" 1
721 1 79 ASP HA 1 82 LYS QE 4.000 . 5.000 3.813 3.267 4.678 . 0 0 "[ . 1]" 1
722 1 79 ASP HA 1 82 LYS QG 4.000 . 5.000 3.426 2.806 4.215 . 0 0 "[ . 1]" 1
723 1 79 ASP QB 1 80 GLN H 4.200 . 5.200 2.647 2.244 3.384 . 0 0 "[ . 1]" 1
724 1 79 ASP QB 1 82 LYS QD 4.000 . 5.000 4.123 3.732 4.963 . 0 0 "[ . 1]" 1
725 1 80 GLN H 1 81 LEU H 4.400 . 5.400 2.751 2.134 3.062 . 0 0 "[ . 1]" 1
726 1 80 GLN H 1 82 LYS H 4.400 . 5.400 4.072 3.568 4.738 . 0 0 "[ . 1]" 1
727 1 80 GLN QB 1 81 LEU HA 4.000 . 5.000 4.075 3.883 4.233 . 0 0 "[ . 1]" 1
728 1 80 GLN QB 1 81 LEU MD1 4.500 . 5.500 4.565 4.434 4.825 . 0 0 "[ . 1]" 1
729 1 80 GLN QB 1 81 LEU HG 4.000 . 5.000 3.274 3.106 3.623 . 0 0 "[ . 1]" 1
730 1 81 LEU H 1 81 LEU QB 3.200 . 3.500 2.430 2.404 2.463 . 0 0 "[ . 1]" 1
731 1 81 LEU H 1 81 LEU MD2 4.700 . 5.700 3.463 3.321 3.581 . 0 0 "[ . 1]" 1
732 1 81 LEU H 1 81 LEU HG 4.200 . 5.200 2.469 2.301 2.656 . 0 0 "[ . 1]" 1
733 1 81 LEU H 1 82 LYS H 4.400 . 5.400 2.524 2.318 2.803 . 0 0 "[ . 1]" 1
734 1 81 LEU HA 1 81 LEU MD2 4.500 . 5.500 2.034 1.994 2.116 . 0 0 "[ . 1]" 1
735 1 81 LEU HA 1 81 LEU HG 4.000 . 5.000 3.090 2.993 3.159 . 0 0 "[ . 1]" 1
736 1 81 LEU HA 1 84 TRP H 4.200 . 5.200 3.622 3.045 4.249 . 0 0 "[ . 1]" 1
737 1 81 LEU HA 1 84 TRP QB 4.000 . 5.000 3.770 2.358 5.178 0.178 6 0 "[ . 1]" 1
738 1 81 LEU QB 1 82 LYS H 4.200 . 5.200 3.062 2.408 3.445 . 0 0 "[ . 1]" 1
739 1 81 LEU QB 1 82 LYS HA 4.000 . 5.000 4.018 3.844 4.104 . 0 0 "[ . 1]" 1
740 1 81 LEU QB 1 82 LYS QG 4.000 . 5.000 3.696 3.260 4.271 . 0 0 "[ . 1]" 1
741 1 81 LEU QB 1 84 TRP QB 4.000 . 6.000 5.040 3.914 6.051 0.051 6 0 "[ . 1]" 1
742 1 82 LYS H 1 82 LYS QD 4.200 . 5.200 3.775 1.853 4.185 . 0 0 "[ . 1]" 1
743 1 82 LYS H 1 82 LYS QG 4.200 . 5.200 2.724 2.159 3.165 . 0 0 "[ . 1]" 1
744 1 82 LYS HA 1 82 LYS QD 4.000 . 5.000 3.891 3.170 3.998 . 0 0 "[ . 1]" 1
745 1 82 LYS HA 1 82 LYS QE 4.000 . 6.000 4.688 4.510 4.846 . 0 0 "[ . 1]" 1
746 1 82 LYS QB 1 82 LYS QD 3.000 . 3.300 2.130 2.110 2.177 . 0 0 "[ . 1]" 1
747 1 82 LYS QB 1 83 ASP H 4.200 . 5.200 2.923 2.562 3.217 . 0 0 "[ . 1]" 1
748 1 82 LYS QD 1 83 ASP H 4.200 . 5.200 4.966 3.932 5.325 0.125 8 0 "[ . 1]" 1
749 1 82 LYS QG 1 83 ASP H 4.200 . 5.200 4.349 4.177 4.511 . 0 0 "[ . 1]" 1
750 1 83 ASP H 1 83 ASP HB2 4.200 . 5.200 2.556 2.259 3.208 . 0 0 "[ . 1]" 1
751 1 83 ASP H 1 83 ASP QB 3.200 . 3.500 2.354 2.234 2.634 . 0 0 "[ . 1]" 1
752 1 83 ASP H 1 83 ASP HB3 4.200 . 5.200 3.103 2.499 3.700 . 0 0 "[ . 1]" 1
753 1 83 ASP QB 1 84 TRP H 4.200 . 5.200 3.105 2.647 4.116 . 0 0 "[ . 1]" 1
754 1 84 TRP H 1 84 TRP QB 3.200 . 3.500 2.609 2.313 3.138 . 0 0 "[ . 1]" 1
755 1 84 TRP H 1 84 TRP HD1 4.200 . 5.200 4.100 1.883 5.258 0.058 7 0 "[ . 1]" 1
756 1 84 TRP H 1 85 LYS H 4.400 . 5.400 3.799 2.919 4.527 . 0 0 "[ . 1]" 1
757 1 84 TRP QB 1 85 LYS H 4.200 . 5.200 3.734 3.198 4.056 . 0 0 "[ . 1]" 1
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