NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406568 |
1xrd   |
6349 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xrd
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 365
_Distance_constraint_stats_list.Viol_count 117
_Distance_constraint_stats_list.Viol_total 86.472
_Distance_constraint_stats_list.Viol_max 0.349
_Distance_constraint_stats_list.Viol_rms 0.0205
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0739
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1]"
1 2 TRP 0.002 0.002 9 0 "[ . 1]"
1 3 ARG 0.000 0.000 . 0 "[ . 1]"
1 4 ILE 0.297 0.148 6 0 "[ . 1]"
1 5 TRP 0.000 0.000 . 0 "[ . 1]"
1 6 GLN 0.139 0.032 2 0 "[ . 1]"
1 7 LEU 0.424 0.148 6 0 "[ . 1]"
1 8 PHE 0.066 0.023 2 0 "[ . 1]"
1 9 ASP 0.097 0.029 9 0 "[ . 1]"
1 10 PRO 0.000 0.000 . 0 "[ . 1]"
1 12 GLN 0.000 0.000 6 0 "[ . 1]"
1 13 ALA 0.000 0.000 . 0 "[ . 1]"
1 14 LEU 0.036 0.036 2 0 "[ . 1]"
1 15 VAL 0.000 0.000 . 0 "[ . 1]"
1 16 GLY 0.000 0.000 . 0 "[ . 1]"
1 17 LEU 0.757 0.186 8 0 "[ . 1]"
1 18 ALA 0.554 0.186 8 0 "[ . 1]"
1 19 THR 0.000 0.000 . 0 "[ . 1]"
1 20 PHE 0.000 0.000 . 0 "[ . 1]"
1 21 LEU 0.106 0.074 3 0 "[ . 1]"
1 22 PHE 0.032 0.032 10 0 "[ . 1]"
1 23 VAL 2.082 0.119 10 0 "[ . 1]"
1 24 LEU 0.977 0.119 10 0 "[ . 1]"
1 25 ALA 0.043 0.021 10 0 "[ . 1]"
1 26 LEU 0.404 0.114 2 0 "[ . 1]"
1 27 LEU 0.000 0.000 . 0 "[ . 1]"
1 28 ILE 0.187 0.097 7 0 "[ . 1]"
1 29 HIS 0.000 0.000 . 0 "[ . 1]"
1 30 PHE 0.085 0.085 5 0 "[ . 1]"
1 31 ILE 0.109 0.101 8 0 "[ . 1]"
1 32 LEU 0.259 0.056 6 0 "[ . 1]"
1 33 LEU 0.577 0.204 7 0 "[ . 1]"
1 34 SER 0.155 0.056 6 0 "[ . 1]"
1 35 THR 0.461 0.204 7 0 "[ . 1]"
1 36 GLU 0.072 0.046 2 0 "[ . 1]"
1 37 ARG 0.000 0.000 . 0 "[ . 1]"
1 38 PHE 0.000 0.000 . 0 "[ . 1]"
1 39 ASN 0.000 0.000 . 0 "[ . 1]"
1 40 TRP 3.263 0.349 7 0 "[ . 1]"
1 41 LEU 0.044 0.031 3 0 "[ . 1]"
1 42 GLU 3.289 0.349 7 0 "[ . 1]"
1 43 GLY 0.088 0.043 10 0 "[ . 1]"
1 44 ALA 0.108 0.048 7 0 "[ . 1]"
1 45 SER 0.000 0.000 . 0 "[ . 1]"
1 46 THR 0.122 0.049 10 0 "[ . 1]"
1 47 LYS 0.177 0.048 7 0 "[ . 1]"
1 48 PRO 0.000 0.000 . 0 "[ . 1]"
1 49 VAL 0.244 0.098 1 0 "[ . 1]"
1 51 THR 0.003 0.003 5 0 "[ . 1]"
1 52 SER 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 1 MET HA 1 2 TRP H 4.000 . 5.500 2.810 2.305 3.568 . 0 0 "[ . 1]" 1
2 1 1 MET HA 1 4 ILE H 4.000 . 5.500 4.152 3.436 4.990 . 0 0 "[ . 1]" 1
3 1 2 TRP H 1 2 TRP HA 3.000 . 4.500 2.296 2.280 2.301 . 0 0 "[ . 1]" 1
4 1 2 TRP H 1 2 TRP QB 3.000 . 4.500 3.061 2.747 3.324 . 0 0 "[ . 1]" 1
5 1 2 TRP H 1 2 TRP HE3 4.000 . 5.500 4.329 2.935 5.502 0.002 9 0 "[ . 1]" 1
6 1 2 TRP H 1 3 ARG H 4.000 . 5.500 3.201 2.869 4.011 . 0 0 "[ . 1]" 1
7 1 3 ARG H 1 3 ARG QD 4.000 . 5.500 3.700 1.961 4.769 . 0 0 "[ . 1]" 1
8 1 3 ARG H 1 3 ARG QG 3.000 . 4.500 2.678 2.277 3.084 . 0 0 "[ . 1]" 1
9 1 3 ARG H 1 4 ILE H 3.000 . 4.500 2.797 2.654 2.965 . 0 0 "[ . 1]" 1
10 1 3 ARG HA 1 4 ILE H 4.000 . 5.500 2.897 2.575 3.362 . 0 0 "[ . 1]" 1
11 1 4 ILE H 1 4 ILE HB 3.000 . 4.500 3.634 3.572 3.690 . 0 0 "[ . 1]" 1
12 1 4 ILE H 1 4 ILE MD 3.000 . 4.500 2.676 2.295 3.792 . 0 0 "[ . 1]" 1
13 1 4 ILE H 1 4 ILE QG 3.000 . 4.500 2.610 2.182 2.804 . 0 0 "[ . 1]" 1
14 1 4 ILE H 1 4 ILE MG 4.000 . 5.500 3.748 2.160 3.960 . 0 0 "[ . 1]" 1
15 1 4 ILE HA 1 5 TRP H 4.000 . 5.500 2.953 2.624 3.438 . 0 0 "[ . 1]" 1
16 1 4 ILE HA 1 7 LEU H 4.000 . 5.500 5.242 4.793 5.648 0.148 6 0 "[ . 1]" 1
17 1 4 ILE HB 1 5 TRP H 4.000 . 5.500 4.092 3.797 4.339 . 0 0 "[ . 1]" 1
18 1 4 ILE MD 1 5 TRP H 4.000 . 5.500 4.337 4.144 4.428 . 0 0 "[ . 1]" 1
19 1 5 TRP H 1 5 TRP HA 3.000 . 4.500 2.362 2.294 2.839 . 0 0 "[ . 1]" 1
20 1 5 TRP H 1 5 TRP QB 3.000 . 4.500 2.962 2.083 3.236 . 0 0 "[ . 1]" 1
21 1 5 TRP H 1 6 GLN H 3.000 . 4.500 2.966 2.550 3.181 . 0 0 "[ . 1]" 1
22 1 5 TRP HA 1 6 GLN H 4.000 . 5.500 3.136 2.667 3.546 . 0 0 "[ . 1]" 1
23 1 5 TRP QB 1 6 GLN H 3.000 . 4.500 3.409 2.568 4.048 . 0 0 "[ . 1]" 1
24 1 6 GLN H 1 6 GLN QB 3.000 . 4.500 3.038 2.678 3.386 . 0 0 "[ . 1]" 1
25 1 6 GLN H 1 6 GLN QG 4.000 . 5.500 3.313 1.943 4.453 . 0 0 "[ . 1]" 1
26 1 6 GLN H 1 7 LEU H 2.000 . 3.500 2.384 1.768 3.078 0.032 2 0 "[ . 1]" 1
27 1 6 GLN HA 1 9 ASP H 3.000 . 4.500 4.313 3.271 4.529 0.029 9 0 "[ . 1]" 1
28 1 6 GLN QB 1 7 LEU H 4.000 . 5.500 3.399 1.907 4.021 . 0 0 "[ . 1]" 1
29 1 6 GLN QG 1 7 LEU H 4.000 . 5.500 3.591 2.176 4.662 . 0 0 "[ . 1]" 1
30 1 7 LEU H 1 7 LEU HA 3.000 . 4.500 2.583 2.270 2.898 . 0 0 "[ . 1]" 1
31 1 7 LEU H 1 7 LEU QB 3.000 . 4.500 2.884 2.215 3.500 . 0 0 "[ . 1]" 1
32 1 7 LEU H 1 7 LEU QD 4.000 . 5.500 3.346 2.687 3.847 . 0 0 "[ . 1]" 1
33 1 7 LEU H 1 7 LEU HG 2.000 . 3.500 2.866 2.443 3.518 0.018 6 0 "[ . 1]" 1
34 1 7 LEU H 1 8 PHE H 3.000 . 4.500 2.981 1.927 4.076 . 0 0 "[ . 1]" 1
35 1 7 LEU HA 1 8 PHE H 4.000 . 5.500 3.386 2.301 3.569 . 0 0 "[ . 1]" 1
36 1 7 LEU QB 1 8 PHE H 4.000 . 5.500 2.604 1.923 3.898 . 0 0 "[ . 1]" 1
37 1 7 LEU QD 1 8 PHE H 4.000 . 5.500 3.672 2.977 4.164 . 0 0 "[ . 1]" 1
38 1 7 LEU HG 1 8 PHE H 3.000 . 4.500 4.175 1.993 4.523 0.023 2 0 "[ . 1]" 1
39 1 8 PHE H 1 8 PHE HA 3.000 . 4.500 2.800 2.271 2.937 . 0 0 "[ . 1]" 1
40 1 8 PHE H 1 8 PHE HB2 3.000 . 4.500 2.784 2.309 3.532 . 0 0 "[ . 1]" 1
41 1 8 PHE H 1 8 PHE HB3 3.000 . 4.500 3.632 2.878 4.047 . 0 0 "[ . 1]" 1
42 1 8 PHE HA 1 9 ASP H 3.000 . 4.500 2.857 2.308 3.554 . 0 0 "[ . 1]" 1
43 1 9 ASP H 1 9 ASP HA 3.000 . 4.500 2.632 2.287 2.857 . 0 0 "[ . 1]" 1
44 1 9 ASP H 1 9 ASP HB2 3.000 . 4.500 3.028 2.161 3.600 . 0 0 "[ . 1]" 1
45 1 9 ASP H 1 9 ASP HB3 3.000 . 4.500 3.651 2.830 3.991 . 0 0 "[ . 1]" 1
46 1 9 ASP H 1 12 GLN QG 4.000 . 6.500 5.057 3.802 5.842 . 0 0 "[ . 1]" 1
47 1 9 ASP HB2 1 12 GLN H 4.000 . 6.500 5.018 3.091 6.500 0.000 6 0 "[ . 1]" 1
48 1 9 ASP HB3 1 12 GLN H 4.000 . 6.500 4.560 2.360 6.189 . 0 0 "[ . 1]" 1
49 1 10 PRO HA 1 12 GLN H 4.000 . 5.500 4.956 4.503 5.340 . 0 0 "[ . 1]" 1
50 1 10 PRO HA 1 13 ALA H 4.000 . 5.500 3.847 3.544 4.273 . 0 0 "[ . 1]" 1
51 1 12 GLN H 1 12 GLN HA 3.000 . 4.500 2.792 2.776 2.803 . 0 0 "[ . 1]" 1
52 1 12 GLN H 1 12 GLN QB 2.000 . 3.500 2.389 2.102 2.657 . 0 0 "[ . 1]" 1
53 1 12 GLN H 1 12 GLN QG 3.000 . 4.500 2.850 1.905 4.061 . 0 0 "[ . 1]" 1
54 1 12 GLN H 1 13 ALA H 3.000 . 4.500 2.744 2.665 2.846 . 0 0 "[ . 1]" 1
55 1 12 GLN H 1 13 ALA HA 4.000 . 6.500 5.332 5.251 5.407 . 0 0 "[ . 1]" 1
56 1 12 GLN H 1 13 ALA MB 4.000 . 5.500 4.383 4.257 4.493 . 0 0 "[ . 1]" 1
57 1 12 GLN HA 1 13 ALA H 4.000 . 5.500 3.531 3.489 3.566 . 0 0 "[ . 1]" 1
58 1 12 GLN HA 1 15 VAL H 3.000 . 4.500 3.537 3.386 3.714 . 0 0 "[ . 1]" 1
59 1 12 GLN HA 1 16 GLY H 4.000 . 5.500 4.278 4.046 4.536 . 0 0 "[ . 1]" 1
60 1 12 GLN QB 1 13 ALA H 2.000 . 3.500 2.694 2.289 3.270 . 0 0 "[ . 1]" 1
61 1 12 GLN QB 1 14 LEU H 4.000 . 5.500 4.788 4.418 5.004 . 0 0 "[ . 1]" 1
62 1 12 GLN QG 1 13 ALA H 4.000 . 5.500 3.611 1.963 4.447 . 0 0 "[ . 1]" 1
63 1 13 ALA H 1 13 ALA HA 3.000 . 4.500 2.814 2.796 2.822 . 0 0 "[ . 1]" 1
64 1 13 ALA H 1 13 ALA MB 2.000 . 3.500 2.185 2.084 2.235 . 0 0 "[ . 1]" 1
65 1 13 ALA H 1 14 LEU HG 4.000 . 6.500 5.054 4.307 5.893 . 0 0 "[ . 1]" 1
66 1 13 ALA H 1 16 GLY H 4.000 . 5.500 4.681 4.573 4.799 . 0 0 "[ . 1]" 1
67 1 13 ALA HA 1 16 GLY H 3.000 . 4.500 3.440 3.340 3.534 . 0 0 "[ . 1]" 1
68 1 13 ALA MB 1 14 LEU H 2.000 . 3.500 2.588 2.427 2.786 . 0 0 "[ . 1]" 1
69 1 13 ALA MB 1 15 VAL H 4.000 . 6.500 4.535 4.358 4.731 . 0 0 "[ . 1]" 1
70 1 14 LEU H 1 14 LEU HA 3.000 . 4.500 2.836 2.827 2.854 . 0 0 "[ . 1]" 1
71 1 14 LEU H 1 14 LEU QB 3.000 . 4.500 2.265 2.160 2.538 . 0 0 "[ . 1]" 1
72 1 14 LEU H 1 14 LEU QD 3.000 . 4.500 3.112 2.033 3.372 . 0 0 "[ . 1]" 1
73 1 14 LEU H 1 14 LEU HG 2.000 . 3.500 2.836 2.080 3.536 0.036 2 0 "[ . 1]" 1
74 1 14 LEU H 1 17 LEU H 4.000 . 5.500 4.890 4.831 4.948 . 0 0 "[ . 1]" 1
75 1 14 LEU H 1 18 ALA H 4.000 . 6.500 5.914 5.679 6.153 . 0 0 "[ . 1]" 1
76 1 14 LEU HA 1 17 LEU H 4.000 . 5.500 3.603 3.328 3.873 . 0 0 "[ . 1]" 1
77 1 14 LEU QB 1 15 VAL H 4.000 . 5.500 2.788 2.516 3.414 . 0 0 "[ . 1]" 1
78 1 14 LEU HG 1 15 VAL H 4.000 . 5.500 4.131 1.943 4.976 . 0 0 "[ . 1]" 1
79 1 15 VAL H 1 15 VAL HA 3.000 . 4.500 2.844 2.839 2.851 . 0 0 "[ . 1]" 1
80 1 15 VAL H 1 15 VAL HB 3.000 . 4.500 2.809 2.571 3.625 . 0 0 "[ . 1]" 1
81 1 15 VAL H 1 15 VAL MG1 4.000 . 5.500 3.148 1.988 3.776 . 0 0 "[ . 1]" 1
82 1 15 VAL H 1 15 VAL MG2 4.000 . 5.500 2.397 1.941 3.776 . 0 0 "[ . 1]" 1
83 1 15 VAL H 1 16 GLY H 2.000 . 3.500 2.517 2.498 2.547 . 0 0 "[ . 1]" 1
84 1 15 VAL H 1 17 LEU H 4.000 . 5.500 4.423 4.206 4.610 . 0 0 "[ . 1]" 1
85 1 15 VAL H 1 18 ALA H 4.000 . 5.500 4.928 4.747 5.075 . 0 0 "[ . 1]" 1
86 1 15 VAL H 1 18 ALA MB 4.000 . 6.500 4.620 4.398 4.934 . 0 0 "[ . 1]" 1
87 1 15 VAL HA 1 16 GLY H 3.000 . 4.500 3.472 3.449 3.485 . 0 0 "[ . 1]" 1
88 1 15 VAL HA 1 18 ALA H 3.000 . 4.500 3.939 3.842 4.079 . 0 0 "[ . 1]" 1
89 1 15 VAL HA 1 19 THR H 4.000 . 5.500 3.537 3.208 3.807 . 0 0 "[ . 1]" 1
90 1 15 VAL HB 1 16 GLY H 3.000 . 4.500 3.388 2.907 4.105 . 0 0 "[ . 1]" 1
91 1 15 VAL MG1 1 16 GLY H 4.000 . 5.500 3.561 2.228 4.098 . 0 0 "[ . 1]" 1
92 1 15 VAL MG1 1 19 THR H 4.000 . 6.500 4.366 3.811 5.285 . 0 0 "[ . 1]" 1
93 1 15 VAL MG2 1 16 GLY H 4.000 . 5.500 3.557 2.347 3.901 . 0 0 "[ . 1]" 1
94 1 16 GLY H 1 17 LEU H 2.000 . 3.500 2.600 2.509 2.661 . 0 0 "[ . 1]" 1
95 1 16 GLY H 1 17 LEU HA 4.000 . 6.500 5.213 5.153 5.265 . 0 0 "[ . 1]" 1
96 1 16 GLY H 1 17 LEU QB 4.000 . 5.500 4.919 4.870 4.948 . 0 0 "[ . 1]" 1
97 1 16 GLY H 1 19 THR H 4.000 . 5.500 4.513 4.417 4.625 . 0 0 "[ . 1]" 1
98 1 16 GLY H 1 19 THR HB 4.000 . 5.500 4.981 4.778 5.104 . 0 0 "[ . 1]" 1
99 1 16 GLY QA 1 17 LEU H 2.000 . 3.500 2.599 2.536 2.683 . 0 0 "[ . 1]" 1
100 1 16 GLY QA 1 18 ALA H 4.000 . 6.500 4.360 4.202 4.545 . 0 0 "[ . 1]" 1
101 1 16 GLY QA 1 19 THR H 3.000 . 4.500 3.722 3.540 3.898 . 0 0 "[ . 1]" 1
102 1 16 GLY QA 1 20 PHE H 4.000 . 5.500 3.716 3.326 3.980 . 0 0 "[ . 1]" 1
103 1 17 LEU H 1 17 LEU QB 2.000 . 3.500 2.714 2.578 2.858 . 0 0 "[ . 1]" 1
104 1 17 LEU H 1 17 LEU QD 2.000 . 3.500 2.537 1.914 2.809 . 0 0 "[ . 1]" 1
105 1 17 LEU H 1 17 LEU HG 2.000 . 3.500 1.863 1.732 1.937 0.068 1 0 "[ . 1]" 1
106 1 17 LEU H 1 18 ALA H . . 3.500 2.731 2.661 2.818 . 0 0 "[ . 1]" 1
107 1 17 LEU H 1 18 ALA MB 4.000 . 5.500 4.326 4.260 4.374 . 0 0 "[ . 1]" 1
108 1 17 LEU HA 1 18 ALA H 3.000 . 4.500 3.538 3.513 3.553 . 0 0 "[ . 1]" 1
109 1 17 LEU HA 1 19 THR H 4.000 . 5.500 4.618 4.298 4.815 . 0 0 "[ . 1]" 1
110 1 17 LEU QB 1 18 ALA H 2.000 . 3.500 2.553 2.079 3.212 . 0 0 "[ . 1]" 1
111 1 17 LEU QB 1 21 LEU H 4.000 . 6.500 4.679 4.578 4.770 . 0 0 "[ . 1]" 1
112 1 17 LEU QD 1 18 ALA H 3.000 . 4.500 2.841 2.048 3.577 . 0 0 "[ . 1]" 1
113 1 17 LEU HG 1 18 ALA H 2.000 . 3.500 2.880 1.993 3.686 0.186 8 0 "[ . 1]" 1
114 1 18 ALA H 1 18 ALA MB 2.000 . 3.500 2.203 2.119 2.232 . 0 0 "[ . 1]" 1
115 1 18 ALA H 1 19 THR H 2.000 . 3.500 2.857 2.735 2.993 . 0 0 "[ . 1]" 1
116 1 18 ALA HA 1 19 THR H 3.000 . 4.500 3.561 3.532 3.586 . 0 0 "[ . 1]" 1
117 1 18 ALA HA 1 21 LEU H 3.000 . 4.500 3.903 3.752 4.190 . 0 0 "[ . 1]" 1
118 1 18 ALA HA 1 22 PHE H 4.000 . 5.500 3.812 3.359 4.036 . 0 0 "[ . 1]" 1
119 1 18 ALA MB 1 19 THR H 2.000 . 3.500 2.454 2.285 2.651 . 0 0 "[ . 1]" 1
120 1 18 ALA MB 1 20 PHE H 4.000 . 6.500 4.500 4.261 4.846 . 0 0 "[ . 1]" 1
121 1 19 THR H 1 19 THR HB 2.000 . 3.500 2.460 2.303 2.559 . 0 0 "[ . 1]" 1
122 1 19 THR H 1 19 THR HG1 2.000 . 3.500 3.116 2.188 3.456 . 0 0 "[ . 1]" 1
123 1 19 THR H 1 19 THR MG 3.000 . 4.500 3.748 3.708 3.762 . 0 0 "[ . 1]" 1
124 1 19 THR H 1 20 PHE QB 4.000 . 5.500 4.368 4.264 4.465 . 0 0 "[ . 1]" 1
125 1 19 THR HA 1 20 PHE H 3.000 . 4.500 3.527 3.480 3.569 . 0 0 "[ . 1]" 1
126 1 19 THR HB 1 20 PHE H 3.000 . 4.500 2.640 2.396 2.850 . 0 0 "[ . 1]" 1
127 1 19 THR HG1 1 20 PHE H 4.000 . 5.500 4.650 4.228 4.899 . 0 0 "[ . 1]" 1
128 1 19 THR MG 1 20 PHE H 3.000 . 4.500 3.430 2.953 3.708 . 0 0 "[ . 1]" 1
129 1 19 THR MG 1 23 VAL H 4.000 . 5.500 3.843 3.605 4.177 . 0 0 "[ . 1]" 1
130 1 20 PHE H 1 20 PHE QB 2.000 . 3.500 2.211 2.104 2.255 . 0 0 "[ . 1]" 1
131 1 20 PHE H 1 20 PHE QD 4.000 . 5.500 3.968 2.736 4.186 . 0 0 "[ . 1]" 1
132 1 20 PHE H 1 21 LEU H 3.000 . 4.500 2.841 2.697 3.063 . 0 0 "[ . 1]" 1
133 1 20 PHE H 1 21 LEU QB 4.000 . 6.500 4.876 4.344 5.160 . 0 0 "[ . 1]" 1
134 1 20 PHE H 1 23 VAL MG1 4.000 . 5.500 4.477 4.439 4.509 . 0 0 "[ . 1]" 1
135 1 20 PHE HA 1 21 LEU H 3.000 . 4.500 3.563 3.514 3.585 . 0 0 "[ . 1]" 1
136 1 20 PHE QB 1 21 LEU H 2.000 . 3.500 2.380 2.179 2.697 . 0 0 "[ . 1]" 1
137 1 20 PHE QD 1 21 LEU H 4.000 . 5.500 3.444 2.710 4.273 . 0 0 "[ . 1]" 1
138 1 21 LEU H 1 21 LEU QB 2.000 . 3.500 2.360 2.058 2.622 . 0 0 "[ . 1]" 1
139 1 21 LEU H 1 21 LEU QD 3.000 . 4.500 2.813 1.887 3.440 . 0 0 "[ . 1]" 1
140 1 21 LEU H 1 21 LEU HG 3.000 . 4.500 3.117 1.960 4.574 0.074 3 0 "[ . 1]" 1
141 1 21 LEU H 1 22 PHE H 2.000 . 3.500 2.694 2.633 2.798 . 0 0 "[ . 1]" 1
142 1 21 LEU H 1 24 LEU H 4.000 . 5.500 4.805 4.690 4.900 . 0 0 "[ . 1]" 1
143 1 21 LEU HA 1 22 PHE H 3.000 . 4.500 3.545 3.494 3.564 . 0 0 "[ . 1]" 1
144 1 21 LEU HA 1 23 VAL H 4.000 . 5.500 4.667 4.600 4.802 . 0 0 "[ . 1]" 1
145 1 21 LEU QB 1 22 PHE H 4.000 . 5.500 3.076 2.425 3.522 . 0 0 "[ . 1]" 1
146 1 21 LEU QD 1 22 PHE H 2.000 . 3.500 2.070 1.768 2.474 0.032 10 0 "[ . 1]" 1
147 1 21 LEU HG 1 22 PHE H 4.000 . 5.500 2.728 1.892 4.302 . 0 0 "[ . 1]" 1
148 1 22 PHE H 1 22 PHE QB 2.000 . 3.500 2.207 2.138 2.255 . 0 0 "[ . 1]" 1
149 1 22 PHE H 1 22 PHE QD 4.000 . 5.500 3.807 2.487 4.186 . 0 0 "[ . 1]" 1
150 1 22 PHE HA 1 23 VAL H 3.000 . 4.500 3.567 3.559 3.571 . 0 0 "[ . 1]" 1
151 1 22 PHE HA 1 26 LEU H 4.000 . 5.500 4.063 3.662 4.300 . 0 0 "[ . 1]" 1
152 1 22 PHE QB 1 23 VAL H 3.000 . 4.500 2.419 2.240 2.534 . 0 0 "[ . 1]" 1
153 1 22 PHE QD 1 23 VAL H 4.000 . 5.500 3.877 3.255 4.478 . 0 0 "[ . 1]" 1
154 1 23 VAL H 1 23 VAL HB 2.000 . 3.500 3.594 3.582 3.600 0.100 4 0 "[ . 1]" 1
155 1 23 VAL H 1 23 VAL MG1 3.000 . 4.500 2.037 1.967 2.105 . 0 0 "[ . 1]" 1
156 1 23 VAL H 1 23 VAL MG2 2.000 . 3.500 2.151 2.068 2.299 . 0 0 "[ . 1]" 1
157 1 23 VAL H 1 24 LEU H 2.000 . 3.500 2.760 2.724 2.810 . 0 0 "[ . 1]" 1
158 1 23 VAL H 1 26 LEU QB 4.000 . 5.500 4.759 3.932 5.614 0.114 2 0 "[ . 1]" 1
159 1 23 VAL H 1 26 LEU HG 4.000 . 5.500 5.251 4.766 5.582 0.082 8 0 "[ . 1]" 1
160 1 23 VAL HA 1 26 LEU H 3.000 . 4.500 3.643 3.511 3.915 . 0 0 "[ . 1]" 1
161 1 23 VAL HA 1 27 LEU H 3.000 . 4.500 4.009 3.758 4.291 . 0 0 "[ . 1]" 1
162 1 23 VAL HB 1 24 LEU H 2.000 . 3.500 3.586 3.562 3.619 0.119 10 0 "[ . 1]" 1
163 1 23 VAL MG1 1 24 LEU H 4.000 . 5.500 3.761 3.663 3.807 . 0 0 "[ . 1]" 1
164 1 23 VAL MG2 1 24 LEU H 2.000 . 3.500 1.828 1.786 1.856 0.014 10 0 "[ . 1]" 1
165 1 23 VAL MG2 1 26 LEU H 4.000 . 6.500 4.890 4.603 5.195 . 0 0 "[ . 1]" 1
166 1 23 VAL MG2 1 27 LEU H 4.000 . 6.500 4.947 4.859 5.063 . 0 0 "[ . 1]" 1
167 1 24 LEU H 1 24 LEU QB 2.000 . 3.500 2.107 2.078 2.180 . 0 0 "[ . 1]" 1
168 1 24 LEU H 1 24 LEU QD 3.000 . 4.500 3.375 3.288 3.550 . 0 0 "[ . 1]" 1
169 1 24 LEU H 1 24 LEU HG 3.000 . 4.500 4.487 4.443 4.520 0.020 3 0 "[ . 1]" 1
170 1 24 LEU QB 1 25 ALA H 3.000 . 4.500 2.283 1.951 2.942 . 0 0 "[ . 1]" 1
171 1 24 LEU QD 1 25 ALA H 3.000 . 4.500 2.951 2.193 3.550 . 0 0 "[ . 1]" 1
172 1 24 LEU QD 1 27 LEU H 4.000 . 6.500 4.420 4.198 4.680 . 0 0 "[ . 1]" 1
173 1 24 LEU HG 1 25 ALA H 3.000 . 4.500 4.176 3.236 4.521 0.021 10 0 "[ . 1]" 1
174 1 25 ALA H 1 25 ALA MB 2.000 . 3.500 2.174 2.089 2.231 . 0 0 "[ . 1]" 1
175 1 25 ALA H 1 28 ILE H 4.000 . 5.500 4.950 4.822 5.039 . 0 0 "[ . 1]" 1
176 1 25 ALA HA 1 26 LEU H 3.000 . 4.500 3.528 3.454 3.578 . 0 0 "[ . 1]" 1
177 1 25 ALA HA 1 28 ILE H 3.000 . 4.500 3.702 3.422 3.908 . 0 0 "[ . 1]" 1
178 1 25 ALA HA 1 29 HIS H 4.000 . 5.500 3.643 3.143 4.188 . 0 0 "[ . 1]" 1
179 1 26 LEU H 1 26 LEU QB 2.000 . 3.500 2.201 2.046 2.306 . 0 0 "[ . 1]" 1
180 1 26 LEU H 1 26 LEU QD 3.000 . 4.500 3.204 2.862 3.416 . 0 0 "[ . 1]" 1
181 1 26 LEU H 1 26 LEU HG 3.000 . 4.500 3.173 2.690 4.550 0.050 8 0 "[ . 1]" 1
182 1 26 LEU H 1 27 LEU H 2.000 . 3.500 2.701 2.623 2.801 . 0 0 "[ . 1]" 1
183 1 26 LEU H 1 27 LEU HA 4.000 . 6.500 5.288 5.208 5.365 . 0 0 "[ . 1]" 1
184 1 26 LEU H 1 28 ILE H 4.000 . 5.500 4.349 3.993 4.742 . 0 0 "[ . 1]" 1
185 1 26 LEU HA 1 29 HIS H 3.000 . 4.500 3.856 3.395 4.112 . 0 0 "[ . 1]" 1
186 1 26 LEU HA 1 30 PHE H 4.000 . 5.500 3.719 3.482 3.951 . 0 0 "[ . 1]" 1
187 1 26 LEU QB 1 27 LEU H 3.000 . 4.500 2.978 2.455 3.566 . 0 0 "[ . 1]" 1
188 1 26 LEU HG 1 30 PHE H 4.000 . 6.500 6.041 5.484 6.585 0.085 5 0 "[ . 1]" 1
189 1 27 LEU H 1 27 LEU QB 2.000 . 3.500 2.314 2.107 2.878 . 0 0 "[ . 1]" 1
190 1 27 LEU H 1 27 LEU QD 2.000 . 3.500 2.318 2.021 2.809 . 0 0 "[ . 1]" 1
191 1 27 LEU H 1 28 ILE H 2.000 . 3.500 2.773 2.661 2.853 . 0 0 "[ . 1]" 1
192 1 27 LEU H 1 28 ILE HA 4.000 . 6.500 5.346 5.262 5.404 . 0 0 "[ . 1]" 1
193 1 27 LEU HA 1 28 ILE H 3.000 . 4.500 3.561 3.527 3.579 . 0 0 "[ . 1]" 1
194 1 28 ILE H 1 28 ILE HB 2.000 . 3.500 2.779 2.250 3.597 0.097 7 0 "[ . 1]" 1
195 1 28 ILE H 1 28 ILE MD 3.000 . 4.500 3.055 1.953 3.605 . 0 0 "[ . 1]" 1
196 1 28 ILE H 1 28 ILE QG 3.000 . 4.500 2.120 1.874 3.492 . 0 0 "[ . 1]" 1
197 1 28 ILE H 1 28 ILE MG 3.000 . 4.500 3.465 2.230 3.774 . 0 0 "[ . 1]" 1
198 1 28 ILE H 1 29 HIS H 2.000 . 3.500 2.798 2.603 2.907 . 0 0 "[ . 1]" 1
199 1 28 ILE H 1 29 HIS QB 4.000 . 5.500 4.542 4.308 4.667 . 0 0 "[ . 1]" 1
200 1 28 ILE H 1 30 PHE H 4.000 . 5.500 4.120 3.931 4.875 . 0 0 "[ . 1]" 1
201 1 28 ILE H 1 31 ILE H 4.000 . 5.500 4.757 4.577 4.851 . 0 0 "[ . 1]" 1
202 1 28 ILE HA 1 29 HIS H 3.000 . 4.500 3.558 3.479 3.579 . 0 0 "[ . 1]" 1
203 1 28 ILE HA 1 30 PHE H 4.000 . 5.500 4.463 4.211 5.036 . 0 0 "[ . 1]" 1
204 1 28 ILE HA 1 31 ILE H 4.000 . 5.500 3.560 3.343 3.911 . 0 0 "[ . 1]" 1
205 1 28 ILE HB 1 29 HIS H 4.000 . 5.500 2.593 2.111 3.561 . 0 0 "[ . 1]" 1
206 1 28 ILE MD 1 29 HIS H 4.000 . 5.500 3.948 2.047 4.571 . 0 0 "[ . 1]" 1
207 1 28 ILE MG 1 29 HIS H 4.000 . 5.500 3.381 2.455 3.936 . 0 0 "[ . 1]" 1
208 1 29 HIS H 1 29 HIS HA 3.000 . 4.500 2.792 2.771 2.810 . 0 0 "[ . 1]" 1
209 1 29 HIS H 1 29 HIS QB 3.000 . 4.500 2.244 2.106 2.419 . 0 0 "[ . 1]" 1
210 1 29 HIS H 1 30 PHE H 2.000 . 3.500 2.741 2.638 2.948 . 0 0 "[ . 1]" 1
211 1 29 HIS H 1 31 ILE H 4.000 . 5.500 4.226 3.857 4.547 . 0 0 "[ . 1]" 1
212 1 29 HIS H 1 32 LEU QB 4.000 . 6.500 5.614 5.347 5.763 . 0 0 "[ . 1]" 1
213 1 29 HIS HA 1 30 PHE H 3.000 . 4.500 3.522 3.495 3.569 . 0 0 "[ . 1]" 1
214 1 29 HIS HA 1 31 ILE H 4.000 . 5.500 4.388 4.126 4.736 . 0 0 "[ . 1]" 1
215 1 29 HIS HA 1 32 LEU H 3.000 . 4.500 3.659 3.446 3.936 . 0 0 "[ . 1]" 1
216 1 30 PHE H 1 30 PHE QB 2.000 . 3.500 2.245 2.189 2.257 . 0 0 "[ . 1]" 1
217 1 30 PHE H 1 30 PHE QD 4.000 . 5.500 4.000 2.404 4.186 . 0 0 "[ . 1]" 1
218 1 30 PHE H 1 31 ILE H 2.000 . 3.500 2.703 2.640 2.874 . 0 0 "[ . 1]" 1
219 1 30 PHE H 1 33 LEU QB 4.000 . 5.500 4.622 4.171 4.789 . 0 0 "[ . 1]" 1
220 1 30 PHE H 1 33 LEU QD 4.000 . 5.500 3.713 3.330 3.933 . 0 0 "[ . 1]" 1
221 1 30 PHE HA 1 34 SER H 3.000 . 4.500 3.646 3.435 4.069 . 0 0 "[ . 1]" 1
222 1 30 PHE QB 1 31 ILE H 3.000 . 4.500 2.720 2.394 3.511 . 0 0 "[ . 1]" 1
223 1 30 PHE QB 1 32 LEU H 4.000 . 6.500 4.974 4.812 5.490 . 0 0 "[ . 1]" 1
224 1 30 PHE HB3 1 34 SER H 4.000 . 6.500 5.588 5.492 5.749 . 0 0 "[ . 1]" 1
225 1 30 PHE QD 1 31 ILE H 4.000 . 5.500 3.413 2.743 3.930 . 0 0 "[ . 1]" 1
226 1 31 ILE H 1 31 ILE HB 2.000 . 3.500 2.367 2.201 3.601 0.101 8 0 "[ . 1]" 1
227 1 31 ILE H 1 31 ILE QG 3.000 . 4.500 3.696 1.821 4.067 . 0 0 "[ . 1]" 1
228 1 31 ILE H 1 31 ILE MG 2.000 . 3.500 2.765 2.427 2.850 . 0 0 "[ . 1]" 1
229 1 31 ILE H 1 32 LEU H 2.000 . 3.500 2.658 2.594 2.733 . 0 0 "[ . 1]" 1
230 1 31 ILE H 1 32 LEU QB 4.000 . 6.500 4.929 4.773 4.988 . 0 0 "[ . 1]" 1
231 1 31 ILE H 1 32 LEU HG 4.000 . 6.500 3.961 3.773 4.453 . 0 0 "[ . 1]" 1
232 1 31 ILE H 1 33 LEU H 4.000 . 5.500 4.131 3.676 4.301 . 0 0 "[ . 1]" 1
233 1 31 ILE H 1 34 SER H 4.000 . 5.500 4.529 4.423 4.925 . 0 0 "[ . 1]" 1
234 1 31 ILE HA 1 32 LEU H 3.000 . 4.500 3.565 3.554 3.576 . 0 0 "[ . 1]" 1
235 1 31 ILE HA 1 34 SER H 4.000 . 5.500 3.667 3.601 3.791 . 0 0 "[ . 1]" 1
236 1 31 ILE HA 1 35 THR H 4.000 . 5.500 3.800 2.962 4.304 . 0 0 "[ . 1]" 1
237 1 31 ILE HB 1 32 LEU H 2.000 . 3.500 3.445 3.363 3.508 0.008 1 0 "[ . 1]" 1
238 1 31 ILE QG 1 32 LEU H 4.000 . 5.500 4.015 1.959 4.471 . 0 0 "[ . 1]" 1
239 1 31 ILE MG 1 32 LEU H 3.000 . 4.500 2.069 1.811 3.913 . 0 0 "[ . 1]" 1
240 1 31 ILE MG 1 35 THR H 4.000 . 5.500 4.485 4.458 4.541 . 0 0 "[ . 1]" 1
241 1 32 LEU H 1 32 LEU QB 2.000 . 3.500 2.618 2.337 2.773 . 0 0 "[ . 1]" 1
242 1 32 LEU H 1 32 LEU QD 3.000 . 4.500 2.766 2.414 3.147 . 0 0 "[ . 1]" 1
243 1 32 LEU H 1 32 LEU HG 2.000 . 3.500 2.079 1.907 2.607 . 0 0 "[ . 1]" 1
244 1 32 LEU H 1 33 LEU H 3.000 . 3.500 2.688 2.516 2.823 . 0 0 "[ . 1]" 1
245 1 32 LEU H 1 34 SER H 4.000 . 5.500 4.107 3.895 4.703 . 0 0 "[ . 1]" 1
246 1 32 LEU H 1 35 THR HB 4.000 . 5.500 5.234 4.481 5.499 . 0 0 "[ . 1]" 1
247 1 32 LEU H 1 35 THR HG1 4.000 . 5.500 4.722 3.990 5.344 . 0 0 "[ . 1]" 1
248 1 32 LEU HA 1 33 LEU H 3.000 . 4.500 3.538 3.446 3.571 . 0 0 "[ . 1]" 1
249 1 32 LEU HG 1 33 LEU H 2.000 . 3.500 2.660 1.930 3.531 0.031 5 0 "[ . 1]" 1
250 1 32 LEU HG 1 34 SER H 4.000 . 5.500 5.024 4.431 5.556 0.056 6 0 "[ . 1]" 1
251 1 33 LEU H 1 33 LEU QB 3.000 . 4.500 2.100 2.008 2.418 . 0 0 "[ . 1]" 1
252 1 33 LEU H 1 33 LEU QD 3.000 . 4.500 2.939 2.746 3.272 . 0 0 "[ . 1]" 1
253 1 33 LEU H 1 33 LEU HG 3.000 . 4.500 3.784 2.268 4.321 . 0 0 "[ . 1]" 1
254 1 33 LEU H 1 36 GLU HB2 4.000 . 6.500 5.385 4.896 6.546 0.046 2 0 "[ . 1]" 1
255 1 33 LEU H 1 36 GLU HB3 4.000 . 6.500 5.495 4.892 6.299 . 0 0 "[ . 1]" 1
256 1 33 LEU HA 1 34 SER H 3.000 . 4.500 3.536 3.521 3.563 . 0 0 "[ . 1]" 1
257 1 33 LEU HA 1 36 GLU H 4.000 . 5.500 3.721 3.424 4.043 . 0 0 "[ . 1]" 1
258 1 33 LEU QB 1 34 SER H 3.000 . 4.500 2.946 2.139 3.359 . 0 0 "[ . 1]" 1
259 1 33 LEU QD 1 34 SER H 4.000 . 5.500 2.419 1.860 3.723 . 0 0 "[ . 1]" 1
260 1 33 LEU HG 1 34 SER H 3.000 . 4.500 3.258 1.897 4.471 . 0 0 "[ . 1]" 1
261 1 33 LEU HG 1 35 THR H 4.000 . 5.500 5.401 4.728 5.704 0.204 7 0 "[ . 1]" 1
262 1 34 SER H 1 34 SER QB 2.000 . 3.500 2.296 2.180 2.566 . 0 0 "[ . 1]" 1
263 1 34 SER H 1 34 SER HG 3.000 . 4.500 3.938 2.884 4.483 . 0 0 "[ . 1]" 1
264 1 34 SER H 1 36 GLU HB3 4.000 . 6.500 5.599 5.009 6.390 . 0 0 "[ . 1]" 1
265 1 34 SER H 1 37 ARG QB 4.000 . 5.500 4.729 4.441 4.982 . 0 0 "[ . 1]" 1
266 1 34 SER QB 1 35 THR H 4.000 . 5.500 2.538 1.980 3.232 . 0 0 "[ . 1]" 1
267 1 35 THR H 1 35 THR HB 3.000 . 4.500 2.583 2.315 2.734 . 0 0 "[ . 1]" 1
268 1 35 THR H 1 35 THR HG1 3.000 . 4.500 2.546 2.010 3.118 . 0 0 "[ . 1]" 1
269 1 35 THR H 1 35 THR MG 3.000 . 4.500 3.742 3.717 3.764 . 0 0 "[ . 1]" 1
270 1 35 THR H 1 36 GLU HA 4.000 . 5.500 5.344 5.259 5.517 0.017 8 0 "[ . 1]" 1
271 1 35 THR H 1 36 GLU HB3 4.000 . 5.500 5.205 4.924 5.435 . 0 0 "[ . 1]" 1
272 1 35 THR HA 1 39 ASN H 4.000 . 5.500 3.905 3.460 4.211 . 0 0 "[ . 1]" 1
273 1 35 THR HB 1 36 GLU H 3.000 . 4.500 2.497 2.146 2.675 . 0 0 "[ . 1]" 1
274 1 35 THR HB 1 38 PHE H 4.000 . 6.500 5.460 5.286 5.614 . 0 0 "[ . 1]" 1
275 1 35 THR HG1 1 36 GLU H 3.000 . 4.500 4.197 3.944 4.509 0.009 7 0 "[ . 1]" 1
276 1 35 THR MG 1 39 ASN H 4.000 . 5.500 3.953 3.786 4.156 . 0 0 "[ . 1]" 1
277 1 36 GLU H 1 36 GLU HB2 3.000 . 4.500 2.439 2.157 3.580 . 0 0 "[ . 1]" 1
278 1 36 GLU H 1 36 GLU HB3 3.000 . 4.500 2.739 2.403 2.978 . 0 0 "[ . 1]" 1
279 1 36 GLU H 1 36 GLU HG2 4.000 . 5.500 4.425 3.504 4.634 . 0 0 "[ . 1]" 1
280 1 36 GLU H 1 36 GLU HG3 4.000 . 5.500 4.126 2.425 4.602 . 0 0 "[ . 1]" 1
281 1 36 GLU H 1 37 ARG QB 4.000 . 6.500 4.442 4.372 4.538 . 0 0 "[ . 1]" 1
282 1 36 GLU HA 1 37 ARG H 3.000 . 4.500 3.548 3.521 3.568 . 0 0 "[ . 1]" 1
283 1 36 GLU HB2 1 37 ARG H 4.000 . 5.500 3.627 3.359 3.825 . 0 0 "[ . 1]" 1
284 1 36 GLU HB3 1 37 ARG H 3.000 . 4.500 2.635 2.232 3.786 . 0 0 "[ . 1]" 1
285 1 37 ARG H 1 37 ARG QB 2.000 . 3.500 2.155 2.070 2.252 . 0 0 "[ . 1]" 1
286 1 37 ARG H 1 37 ARG QG 4.000 . 5.500 3.791 2.976 4.052 . 0 0 "[ . 1]" 1
287 1 37 ARG H 1 40 TRP HB3 4.000 . 6.500 5.187 4.700 5.908 . 0 0 "[ . 1]" 1
288 1 37 ARG HA 1 40 TRP H 4.000 . 5.500 3.549 3.501 3.628 . 0 0 "[ . 1]" 1
289 1 37 ARG QB 1 38 PHE H 2.000 . 3.500 2.688 2.478 2.788 . 0 0 "[ . 1]" 1
290 1 38 PHE H 1 38 PHE QB 2.000 . 3.500 2.168 2.102 2.254 . 0 0 "[ . 1]" 1
291 1 38 PHE H 1 39 ASN H 4.000 . 5.500 2.936 2.876 2.977 . 0 0 "[ . 1]" 1
292 1 38 PHE H 1 40 TRP H 4.000 . 5.500 3.669 3.643 3.705 . 0 0 "[ . 1]" 1
293 1 38 PHE HA 1 39 ASN H 3.000 . 4.500 3.571 3.568 3.574 . 0 0 "[ . 1]" 1
294 1 38 PHE HA 1 42 GLU H 4.000 . 5.500 4.203 4.142 4.246 . 0 0 "[ . 1]" 1
295 1 38 PHE QB 1 39 ASN H 2.000 . 3.500 2.182 1.993 2.320 . 0 0 "[ . 1]" 1
296 1 38 PHE QD 1 39 ASN H 4.000 . 5.500 3.896 2.821 4.350 . 0 0 "[ . 1]" 1
297 1 39 ASN H 1 39 ASN QB 3.000 . 4.500 2.350 2.099 2.631 . 0 0 "[ . 1]" 1
298 1 39 ASN H 1 42 GLU QB 4.000 . 5.500 3.785 3.721 3.865 . 0 0 "[ . 1]" 1
299 1 39 ASN HA 1 40 TRP H 3.000 . 4.500 3.409 3.397 3.423 . 0 0 "[ . 1]" 1
300 1 39 ASN HA 1 42 GLU H 4.000 . 5.500 3.431 3.373 3.506 . 0 0 "[ . 1]" 1
301 1 39 ASN HA 1 43 GLY H 4.000 . 5.500 3.622 3.448 3.942 . 0 0 "[ . 1]" 1
302 1 39 ASN QB 1 40 TRP H 3.000 . 4.500 3.104 2.991 3.643 . 0 0 "[ . 1]" 1
303 1 40 TRP H 1 40 TRP HB2 4.000 . 5.500 2.435 2.087 2.666 . 0 0 "[ . 1]" 1
304 1 40 TRP H 1 40 TRP HB3 2.000 . 3.500 2.811 2.448 3.429 . 0 0 "[ . 1]" 1
305 1 40 TRP H 1 40 TRP HD1 4.000 . 5.500 4.428 3.380 4.915 . 0 0 "[ . 1]" 1
306 1 40 TRP H 1 42 GLU HA 4.000 . 5.500 5.824 5.810 5.849 0.349 7 0 "[ . 1]" 1
307 1 40 TRP H 1 42 GLU QB 4.000 . 5.500 3.692 3.585 3.750 . 0 0 "[ . 1]" 1
308 1 40 TRP H 1 43 GLY H 4.000 . 5.500 4.758 4.643 4.843 . 0 0 "[ . 1]" 1
309 1 40 TRP HA 1 42 GLU H 4.000 . 5.500 3.885 3.838 3.931 . 0 0 "[ . 1]" 1
310 1 40 TRP HA 1 43 GLY H 4.000 . 5.500 4.046 3.823 4.175 . 0 0 "[ . 1]" 1
311 1 40 TRP HA 1 44 ALA H 4.000 . 5.500 4.548 3.161 5.516 0.016 1 0 "[ . 1]" 1
312 1 41 LEU H 1 41 LEU QB 3.000 . 4.500 2.349 2.212 2.595 . 0 0 "[ . 1]" 1
313 1 41 LEU H 1 41 LEU QD 4.000 . 5.500 3.221 1.934 3.732 . 0 0 "[ . 1]" 1
314 1 41 LEU H 1 41 LEU HG 3.000 . 4.500 3.453 1.990 4.447 . 0 0 "[ . 1]" 1
315 1 41 LEU QB 1 42 GLU H 3.000 . 4.500 3.332 3.053 3.726 . 0 0 "[ . 1]" 1
316 1 41 LEU QD 1 42 GLU H 4.000 . 5.500 3.465 2.025 4.190 . 0 0 "[ . 1]" 1
317 1 41 LEU HG 1 42 GLU H 3.000 . 4.500 3.871 2.622 4.531 0.031 3 0 "[ . 1]" 1
318 1 42 GLU H 1 42 GLU QB 2.000 . 3.500 2.212 2.112 2.259 . 0 0 "[ . 1]" 1
319 1 42 GLU H 1 42 GLU QG 3.000 . 4.500 3.688 2.970 4.021 . 0 0 "[ . 1]" 1
320 1 42 GLU H 1 43 GLY H 2.000 . 3.500 2.885 2.736 2.995 . 0 0 "[ . 1]" 1
321 1 42 GLU H 1 43 GLY QA 4.000 . 6.500 4.627 4.466 4.737 . 0 0 "[ . 1]" 1
322 1 42 GLU HA 1 43 GLY H 3.000 . 4.500 3.557 3.551 3.561 . 0 0 "[ . 1]" 1
323 1 42 GLU QB 1 43 GLY H 3.000 . 4.500 2.160 1.965 2.423 . 0 0 "[ . 1]" 1
324 1 42 GLU QG 1 43 GLY H 4.000 . 5.500 3.441 2.932 4.249 . 0 0 "[ . 1]" 1
325 1 43 GLY H 1 44 ALA MB 4.000 . 6.500 3.854 3.361 4.465 . 0 0 "[ . 1]" 1
326 1 43 GLY H 1 47 LYS H 4.000 . 5.500 5.285 4.585 5.543 0.043 10 0 "[ . 1]" 1
327 1 43 GLY QA 1 44 ALA H 3.000 . 4.500 2.557 2.108 2.934 . 0 0 "[ . 1]" 1
328 1 43 GLY QA 1 45 SER H 4.000 . 6.500 3.960 3.132 4.882 . 0 0 "[ . 1]" 1
329 1 43 GLY QA 1 46 THR H 3.000 . 4.500 3.435 3.045 3.954 . 0 0 "[ . 1]" 1
330 1 44 ALA H 1 44 ALA HA 3.000 . 4.500 2.665 2.294 2.829 . 0 0 "[ . 1]" 1
331 1 44 ALA H 1 44 ALA MB 2.000 . 3.500 2.457 2.095 3.012 . 0 0 "[ . 1]" 1
332 1 44 ALA H 1 45 SER H 3.000 . 4.500 3.221 2.346 4.427 . 0 0 "[ . 1]" 1
333 1 44 ALA H 1 46 THR H 4.000 . 5.500 4.056 2.681 4.755 . 0 0 "[ . 1]" 1
334 1 44 ALA H 1 46 THR MG 4.000 . 6.500 4.665 3.104 5.326 . 0 0 "[ . 1]" 1
335 1 44 ALA HA 1 45 SER H 3.000 . 4.500 3.109 2.139 3.560 . 0 0 "[ . 1]" 1
336 1 44 ALA HA 1 47 LYS H 4.000 . 5.500 4.422 3.267 5.548 0.048 7 0 "[ . 1]" 1
337 1 44 ALA MB 1 45 SER H 3.000 . 4.500 2.880 1.931 3.679 . 0 0 "[ . 1]" 1
338 1 44 ALA MB 1 46 THR H 4.000 . 6.500 4.278 3.536 4.732 . 0 0 "[ . 1]" 1
339 1 45 SER H 1 45 SER HA 3.000 . 4.500 2.626 2.277 2.859 . 0 0 "[ . 1]" 1
340 1 45 SER H 1 45 SER QB 2.000 . 3.500 2.644 2.152 3.120 . 0 0 "[ . 1]" 1
341 1 45 SER H 1 46 THR H 2.000 . 3.500 2.495 2.346 2.699 . 0 0 "[ . 1]" 1
342 1 45 SER H 1 46 THR MG 4.000 . 6.500 3.869 3.600 4.106 . 0 0 "[ . 1]" 1
343 1 46 THR H 1 46 THR HB 3.000 . 4.500 3.797 3.633 3.969 . 0 0 "[ . 1]" 1
344 1 46 THR H 1 46 THR HG1 2.000 . 3.500 3.358 2.746 3.549 0.049 10 0 "[ . 1]" 1
345 1 46 THR H 1 46 THR MG 2.000 . 3.500 2.509 2.112 2.787 . 0 0 "[ . 1]" 1
346 1 46 THR H 1 47 LYS H 2.000 . 3.500 2.205 1.805 2.805 . 0 0 "[ . 1]" 1
347 1 46 THR HA 1 47 LYS H 3.000 . 4.500 3.486 3.206 3.574 . 0 0 "[ . 1]" 1
348 1 46 THR HG1 1 47 LYS H 3.000 . 4.500 2.867 1.967 4.231 . 0 0 "[ . 1]" 1
349 1 46 THR MG 1 47 LYS H 4.000 . 5.500 3.671 3.371 4.100 . 0 0 "[ . 1]" 1
350 1 47 LYS H 1 47 LYS QB 2.000 . 3.500 2.723 2.077 3.072 . 0 0 "[ . 1]" 1
351 1 47 LYS H 1 47 LYS QG 3.000 . 4.500 3.689 3.355 4.025 . 0 0 "[ . 1]" 1
352 1 47 LYS H 1 48 PRO QD 4.000 . 5.500 3.127 1.922 4.388 . 0 0 "[ . 1]" 1
353 1 48 PRO HA 1 49 VAL H 3.000 . 4.500 2.705 2.148 3.576 . 0 0 "[ . 1]" 1
354 1 48 PRO QB 1 49 VAL H 4.000 . 5.500 2.992 1.975 3.928 . 0 0 "[ . 1]" 1
355 1 48 PRO QD 1 49 VAL H 4.000 . 5.500 4.239 2.540 4.971 . 0 0 "[ . 1]" 1
356 1 48 PRO QG 1 49 VAL H 4.000 . 5.500 3.731 1.954 4.802 . 0 0 "[ . 1]" 1
357 1 49 VAL H 1 49 VAL HA 3.000 . 4.500 2.659 2.263 2.926 . 0 0 "[ . 1]" 1
358 1 49 VAL H 1 49 VAL HB 2.000 . 3.500 3.161 2.722 3.598 0.098 1 0 "[ . 1]" 1
359 1 49 VAL H 1 49 VAL QG 4.000 . 5.500 2.679 1.897 3.301 . 0 0 "[ . 1]" 1
360 1 49 VAL HB 1 51 THR H 4.000 . 6.500 5.717 4.702 6.503 0.003 5 0 "[ . 1]" 1
361 1 51 THR H 1 51 THR HB 3.000 . 4.500 3.289 2.570 3.971 . 0 0 "[ . 1]" 1
362 1 51 THR H 1 51 THR HG1 3.000 . 4.500 3.682 2.752 4.376 . 0 0 "[ . 1]" 1
363 1 51 THR H 1 51 THR MG 3.000 . 4.500 3.297 1.976 3.859 . 0 0 "[ . 1]" 1
364 1 51 THR HB 1 52 SER H 4.000 . 5.500 3.729 2.013 4.447 . 0 0 "[ . 1]" 1
365 1 52 SER H 1 52 SER HG 4.000 . 5.500 3.860 2.017 4.948 . 0 0 "[ . 1]" 1
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