NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434049 |
2jvx   |
15499 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jvx
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 372
_Distance_constraint_stats_list.Viol_count 221
_Distance_constraint_stats_list.Viol_total 189.179
_Distance_constraint_stats_list.Viol_max 1.079
_Distance_constraint_stats_list.Viol_rms 0.0387
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0856
_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 3 ASP 0.000 0.000 . 0 "[ . 1]"
1 4 PHE 3.614 0.407 6 0 "[ . 1]"
1 5 CYS 0.031 0.031 3 0 "[ . 1]"
1 6 CYS 1.728 0.219 3 0 "[ . 1]"
1 7 PRO 1.397 0.693 3 2 "[ + .- 1]"
1 8 LYS 0.649 0.103 9 0 "[ . 1]"
1 9 CYS 4.844 1.079 9 2 "[ - . +1]"
1 10 GLN 0.402 0.103 9 0 "[ . 1]"
1 11 TYR 1.160 0.090 8 0 "[ . 1]"
1 12 GLN 0.472 0.226 4 0 "[ . 1]"
1 13 ALA 0.553 0.090 8 0 "[ . 1]"
1 14 PRO 0.105 0.027 4 0 "[ . 1]"
1 15 ASP 0.055 0.043 10 0 "[ . 1]"
1 16 MET 0.177 0.141 9 0 "[ . 1]"
1 17 ASP 0.839 0.188 7 0 "[ . 1]"
1 18 THR 0.929 0.188 7 0 "[ . 1]"
1 19 LEU 3.483 0.407 6 0 "[ . 1]"
1 20 GLN 0.000 0.000 . 0 "[ . 1]"
1 21 ILE 0.332 0.087 9 0 "[ . 1]"
1 22 HIS 5.014 0.305 9 0 "[ . 1]"
1 23 VAL 1.198 0.192 2 0 "[ . 1]"
1 24 MET 0.000 0.000 . 0 "[ . 1]"
1 25 GLU 0.854 0.305 9 0 "[ . 1]"
1 26 CYS 6.212 1.079 9 2 "[ - . +1]"
1 27 ILE 1.345 0.192 2 0 "[ . 1]"
1 28 GLU 0.217 0.171 7 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 3 ASP HA 1 4 PHE H 3.100 . 4.300 2.541 2.198 3.543 . 0 0 "[ . 1]" 1
2 1 4 PHE H 1 4 PHE QB 3.400 . 4.900 2.515 2.410 2.656 . 0 0 "[ . 1]" 1
3 1 4 PHE H 1 4 PHE QD 3.400 . 4.800 2.726 2.360 3.226 . 0 0 "[ . 1]" 1
4 1 4 PHE H 1 4 PHE QE 4.200 . 6.000 4.582 4.119 4.950 . 0 0 "[ . 1]" 1
5 1 4 PHE H 1 5 CYS H 4.700 . 6.000 4.391 3.945 4.560 . 0 0 "[ . 1]" 1
6 1 4 PHE HA 1 4 PHE QB 2.600 . 3.500 2.363 2.332 2.391 . 0 0 "[ . 1]" 1
7 1 4 PHE HA 1 4 PHE QD 2.800 . 3.800 2.782 2.369 2.950 . 0 0 "[ . 1]" 1
8 1 4 PHE HA 1 4 PHE QE 4.200 . 6.000 4.620 4.410 4.710 . 0 0 "[ . 1]" 1
9 1 4 PHE HA 1 5 CYS H 3.800 . 5.600 2.251 2.155 2.412 . 0 0 "[ . 1]" 1
10 1 4 PHE HA 1 19 LEU QD 3.800 . 5.600 3.403 2.545 3.927 . 0 0 "[ . 1]" 1
11 1 4 PHE QB 1 4 PHE QD 2.100 . 2.700 2.127 2.120 2.141 . 0 0 "[ . 1]" 1
12 1 4 PHE QB 1 13 ALA H 4.000 . 6.000 3.372 3.091 3.699 . 0 0 "[ . 1]" 1
13 1 4 PHE QB 1 13 ALA MB 2.200 . 2.800 2.510 2.142 2.832 0.032 8 0 "[ . 1]" 1
14 1 4 PHE QB 1 19 LEU QD 2.400 . 3.100 1.665 1.593 1.836 0.407 6 0 "[ . 1]" 1
15 1 4 PHE QD 1 14 PRO HA 3.700 . 5.400 3.978 3.463 4.982 . 0 0 "[ . 1]" 1
16 1 4 PHE QD 1 15 ASP HA 3.300 . 4.600 3.791 3.411 4.120 . 0 0 "[ . 1]" 1
17 1 4 PHE QD 1 16 MET HA 3.000 . 4.100 3.137 2.630 3.465 . 0 0 "[ . 1]" 1
18 1 4 PHE QD 1 16 MET QB 3.600 . 5.200 3.800 3.116 4.260 . 0 0 "[ . 1]" 1
19 1 4 PHE QD 1 16 MET ME 3.700 . 5.400 4.692 3.721 5.541 0.141 9 0 "[ . 1]" 1
20 1 4 PHE QD 1 16 MET QG 3.700 . 5.400 3.750 3.120 4.276 . 0 0 "[ . 1]" 1
21 1 4 PHE QD 1 19 LEU HB2 4.000 . 6.000 3.876 3.269 4.306 . 0 0 "[ . 1]" 1
22 1 4 PHE QD 1 19 LEU HB3 3.600 . 5.200 4.382 4.031 4.683 . 0 0 "[ . 1]" 1
23 1 4 PHE QD 1 19 LEU QD 2.900 . 3.900 2.904 2.151 3.430 . 0 0 "[ . 1]" 1
24 1 4 PHE QE 1 15 ASP HA 3.100 . 4.300 3.373 3.105 4.023 . 0 0 "[ . 1]" 1
25 1 4 PHE QE 1 15 ASP QB 4.100 . 6.000 5.153 4.974 5.440 . 0 0 "[ . 1]" 1
26 1 4 PHE QE 1 16 MET HA 4.000 . 6.000 3.647 3.075 4.079 . 0 0 "[ . 1]" 1
27 1 4 PHE QE 1 16 MET QB 2.600 . 3.500 2.845 1.968 3.201 . 0 0 "[ . 1]" 1
28 1 4 PHE QE 1 16 MET QG 3.400 . 4.800 3.547 2.941 4.126 . 0 0 "[ . 1]" 1
29 1 4 PHE QE 1 19 LEU QD 4.400 . 6.000 4.361 3.876 4.957 . 0 0 "[ . 1]" 1
30 1 5 CYS H 1 5 CYS HB2 3.500 . 5.000 2.917 2.447 3.628 . 0 0 "[ . 1]" 1
31 1 5 CYS H 1 19 LEU HB2 5.800 . 6.000 5.612 5.331 6.031 0.031 3 0 "[ . 1]" 1
32 1 5 CYS H 1 19 LEU QD 4.700 . 6.000 3.209 3.019 3.506 . 0 0 "[ . 1]" 1
33 1 5 CYS HA 1 5 CYS HB2 2.600 . 3.500 2.701 2.439 3.025 . 0 0 "[ . 1]" 1
34 1 5 CYS HA 1 5 CYS QB 2.500 . 3.300 2.341 2.174 2.417 . 0 0 "[ . 1]" 1
35 1 5 CYS HA 1 5 CYS HB3 2.900 . 3.900 2.727 2.365 3.030 . 0 0 "[ . 1]" 1
36 1 5 CYS HA 1 6 CYS H 2.700 . 3.600 2.197 2.132 2.259 . 0 0 "[ . 1]" 1
37 1 5 CYS HA 1 12 GLN HA 2.700 . 3.600 2.381 1.981 2.780 . 0 0 "[ . 1]" 1
38 1 5 CYS HA 1 13 ALA H 4.400 . 6.000 3.242 2.942 3.529 . 0 0 "[ . 1]" 1
39 1 5 CYS HA 1 19 LEU QD 3.200 . 4.500 3.278 3.035 3.524 . 0 0 "[ . 1]" 1
40 1 5 CYS HB2 1 6 CYS H 4.500 . 6.000 3.931 3.061 4.131 . 0 0 "[ . 1]" 1
41 1 6 CYS H 1 6 CYS HB2 3.100 . 4.300 2.687 2.613 2.766 . 0 0 "[ . 1]" 1
42 1 6 CYS H 1 6 CYS HB3 3.000 . 4.100 2.424 2.357 2.503 . 0 0 "[ . 1]" 1
43 1 6 CYS H 1 10 GLN H 3.800 . 5.600 5.578 5.422 5.677 0.077 4 0 "[ . 1]" 1
44 1 6 CYS H 1 11 TYR QD 4.000 . 6.000 3.577 3.414 3.796 . 0 0 "[ . 1]" 1
45 1 6 CYS HA 1 6 CYS HB2 2.700 . 3.600 2.431 2.394 2.471 . 0 0 "[ . 1]" 1
46 1 6 CYS HA 1 6 CYS HB3 2.500 . 3.300 3.029 3.025 3.032 . 0 0 "[ . 1]" 1
47 1 6 CYS HA 1 7 PRO HD2 2.500 . 3.300 2.335 2.138 2.845 . 0 0 "[ . 1]" 1
48 1 6 CYS HA 1 7 PRO HD3 2.200 . 2.800 2.126 1.698 2.307 . 0 0 "[ . 1]" 1
49 1 6 CYS HA 1 19 LEU QD 2.400 . 3.100 2.378 2.156 2.799 . 0 0 "[ . 1]" 1
50 1 6 CYS HA 1 22 HIS HD2 3.900 . 5.800 4.118 3.943 4.273 . 0 0 "[ . 1]" 1
51 1 6 CYS HB2 1 9 CYS H 3.200 . 4.400 3.659 3.509 3.751 . 0 0 "[ . 1]" 1
52 1 6 CYS HB2 1 10 GLN HA 4.600 . 6.000 4.614 4.551 4.679 . 0 0 "[ . 1]" 1
53 1 6 CYS HB2 1 11 TYR H 3.800 . 5.600 4.180 3.611 4.621 . 0 0 "[ . 1]" 1
54 1 6 CYS HB2 1 11 TYR HB3 2.600 . 3.500 2.517 2.217 2.797 . 0 0 "[ . 1]" 1
55 1 6 CYS HB2 1 11 TYR QD 2.800 . 3.800 2.875 2.739 3.036 . 0 0 "[ . 1]" 1
56 1 6 CYS HB2 1 11 TYR QE 4.900 . 6.000 4.925 4.741 5.056 . 0 0 "[ . 1]" 1
57 1 6 CYS HB2 1 19 LEU QD 3.100 . 4.300 2.899 2.315 3.240 . 0 0 "[ . 1]" 1
58 1 6 CYS HB2 1 22 HIS HD2 2.700 . 3.600 2.522 2.386 2.738 . 0 0 "[ . 1]" 1
59 1 6 CYS HB3 1 9 CYS H 3.300 . 4.700 3.164 2.854 3.758 . 0 0 "[ . 1]" 1
60 1 6 CYS HB3 1 11 TYR H 3.800 . 5.600 2.834 2.117 3.429 . 0 0 "[ . 1]" 1
61 1 6 CYS HB3 1 11 TYR HB3 2.700 . 3.600 2.284 2.147 2.535 . 0 0 "[ . 1]" 1
62 1 6 CYS HB3 1 11 TYR QD 3.400 . 4.900 3.792 3.482 3.886 . 0 0 "[ . 1]" 1
63 1 6 CYS HB3 1 11 TYR QE 4.600 . 6.000 5.972 5.700 6.040 0.040 9 0 "[ . 1]" 1
64 1 6 CYS HB3 1 19 LEU QD 3.600 . 5.200 4.057 3.502 4.421 . 0 0 "[ . 1]" 1
65 1 6 CYS HB3 1 22 HIS HD2 3.100 . 4.300 3.972 3.755 4.311 0.011 3 0 "[ . 1]" 1
66 1 6 CYS SG 1 9 CYS SG 3.700 3.680 3.720 3.688 3.618 3.769 0.062 9 0 "[ . 1]" 1
67 1 6 CYS SG 1 22 HIS NE2 3.500 3.480 3.520 3.489 3.439 3.549 0.041 10 0 "[ . 1]" 1
68 1 6 CYS SG 1 26 CYS SG 3.700 3.680 3.720 3.713 3.461 3.867 0.219 3 0 "[ . 1]" 1
69 1 7 PRO HA 1 7 PRO HB3 3.000 . 4.200 2.297 2.252 2.316 . 0 0 "[ . 1]" 1
70 1 7 PRO HA 1 7 PRO QG 3.600 . 5.200 3.459 3.243 3.516 . 0 0 "[ . 1]" 1
71 1 7 PRO HA 1 8 LYS H 3.400 . 4.900 3.050 2.776 3.339 . 0 0 "[ . 1]" 1
72 1 7 PRO HB2 1 8 LYS H 4.700 . 6.000 4.177 3.909 4.343 . 0 0 "[ . 1]" 1
73 1 7 PRO HB3 1 7 PRO HD2 3.200 . 4.500 3.874 3.859 3.898 . 0 0 "[ . 1]" 1
74 1 7 PRO HB3 1 7 PRO HD3 2.500 . 3.300 3.214 2.982 3.993 0.693 3 2 "[ + .- 1]" 1
75 1 7 PRO HD2 1 8 LYS H 2.900 . 3.900 3.426 2.873 3.928 0.028 2 0 "[ . 1]" 1
76 1 7 PRO HD2 1 19 LEU QD 4.200 . 4.900 3.740 3.358 4.418 . 0 0 "[ . 1]" 1
77 1 7 PRO HD2 1 23 VAL QG 2.300 . 3.000 2.780 2.202 2.986 . 0 0 "[ . 1]" 1
78 1 7 PRO HD3 1 8 LYS H 4.100 . 6.000 4.272 3.839 4.591 . 0 0 "[ . 1]" 1
79 1 7 PRO HD3 1 23 VAL QG 3.200 . 4.500 3.384 2.906 3.764 . 0 0 "[ . 1]" 1
80 1 8 LYS H 1 8 LYS HA 2.900 . 4.000 2.932 2.908 2.948 . 0 0 "[ . 1]" 1
81 1 8 LYS H 1 8 LYS HB2 2.500 . 3.300 2.845 2.504 3.326 0.026 2 0 "[ . 1]" 1
82 1 8 LYS H 1 8 LYS HB3 2.800 . 3.800 3.523 2.875 3.839 0.039 10 0 "[ . 1]" 1
83 1 8 LYS H 1 8 LYS HG2 3.500 . 5.000 4.050 3.122 5.008 0.008 2 0 "[ . 1]" 1
84 1 8 LYS H 1 8 LYS HG3 4.400 . 6.000 3.892 2.664 4.804 . 0 0 "[ . 1]" 1
85 1 8 LYS H 1 9 CYS H 2.400 . 3.100 1.947 1.666 2.754 0.034 1 0 "[ . 1]" 1
86 1 8 LYS H 1 10 GLN H 5.500 . 6.000 5.988 5.792 6.103 0.103 9 0 "[ . 1]" 1
87 1 8 LYS H 1 23 VAL QG 5.200 . 6.000 4.912 4.644 5.097 . 0 0 "[ . 1]" 1
88 1 8 LYS HA 1 8 LYS HB2 2.400 . 3.100 2.869 2.465 3.030 . 0 0 "[ . 1]" 1
89 1 8 LYS HA 1 8 LYS HB3 2.400 . 3.100 2.654 2.379 3.031 . 0 0 "[ . 1]" 1
90 1 8 LYS HA 1 8 LYS HG2 3.000 . 4.100 2.938 2.555 3.821 . 0 0 "[ . 1]" 1
91 1 8 LYS HA 1 8 LYS HG3 2.900 . 4.000 3.212 2.557 3.814 . 0 0 "[ . 1]" 1
92 1 8 LYS HA 1 9 CYS H 3.000 . 4.200 3.481 3.418 3.545 . 0 0 "[ . 1]" 1
93 1 8 LYS HB2 1 8 LYS HG2 2.600 . 3.400 2.763 2.461 3.012 . 0 0 "[ . 1]" 1
94 1 8 LYS HB2 1 9 CYS H 3.200 . 4.500 3.036 1.870 3.955 0.030 3 0 "[ . 1]" 1
95 1 8 LYS HB3 1 8 LYS HG2 2.300 . 3.000 2.597 2.325 3.013 0.013 8 0 "[ . 1]" 1
96 1 8 LYS HB3 1 8 LYS HG3 2.700 . 3.600 2.762 2.476 3.010 . 0 0 "[ . 1]" 1
97 1 8 LYS HB3 1 9 CYS H 3.200 . 4.500 3.340 2.600 4.151 . 0 0 "[ . 1]" 1
98 1 8 LYS HD2 1 8 LYS HG2 2.700 . 3.600 2.916 2.490 3.018 . 0 0 "[ . 1]" 1
99 1 8 LYS HD2 1 8 LYS HG3 2.800 . 3.800 2.568 2.399 3.021 . 0 0 "[ . 1]" 1
100 1 8 LYS HD3 1 8 LYS HE2 3.000 . 4.100 2.556 2.335 3.017 . 0 0 "[ . 1]" 1
101 1 8 LYS HD3 1 8 LYS HE3 2.500 . 3.300 2.786 2.374 3.018 . 0 0 "[ . 1]" 1
102 1 8 LYS HD3 1 8 LYS HG3 2.900 . 4.000 2.918 2.490 3.020 . 0 0 "[ . 1]" 1
103 1 8 LYS HE2 1 8 LYS HG2 3.900 . 5.800 3.072 2.420 3.717 . 0 0 "[ . 1]" 1
104 1 8 LYS HE2 1 8 LYS HG3 4.400 . 6.000 3.052 2.403 3.768 . 0 0 "[ . 1]" 1
105 1 8 LYS HE3 1 8 LYS HG2 3.600 . 5.200 3.195 2.467 4.238 . 0 0 "[ . 1]" 1
106 1 8 LYS HE3 1 8 LYS HG3 3.600 . 5.300 2.909 2.408 3.709 . 0 0 "[ . 1]" 1
107 1 9 CYS H 1 9 CYS HA 3.000 . 4.100 2.882 2.854 2.922 . 0 0 "[ . 1]" 1
108 1 9 CYS H 1 9 CYS HB3 2.700 . 3.600 3.238 2.594 3.477 . 0 0 "[ . 1]" 1
109 1 9 CYS H 1 10 GLN H 3.400 . 4.800 4.398 4.288 4.600 . 0 0 "[ . 1]" 1
110 1 9 CYS H 1 11 TYR H 4.400 . 6.000 4.506 3.970 5.110 . 0 0 "[ . 1]" 1
111 1 9 CYS HA 1 9 CYS HB2 2.500 . 3.300 2.449 2.402 2.478 . 0 0 "[ . 1]" 1
112 1 9 CYS HA 1 9 CYS HB3 2.600 . 3.500 2.481 2.450 2.534 . 0 0 "[ . 1]" 1
113 1 9 CYS HA 1 10 GLN H 3.400 . 4.800 2.474 2.320 2.560 . 0 0 "[ . 1]" 1
114 1 9 CYS HB2 1 10 GLN H 2.500 . 3.300 2.412 2.179 2.658 . 0 0 "[ . 1]" 1
115 1 9 CYS HB2 1 22 HIS HE1 3.900 . 5.800 5.647 5.371 5.841 0.041 7 0 "[ . 1]" 1
116 1 9 CYS HB3 1 10 GLN H 3.700 . 5.400 2.515 2.188 3.265 . 0 0 "[ . 1]" 1
117 1 9 CYS HB3 1 22 HIS HE1 3.900 . 5.800 5.756 5.208 5.905 0.105 10 0 "[ . 1]" 1
118 1 9 CYS SG 1 22 HIS NE2 3.500 3.480 3.520 3.546 3.455 3.604 0.084 5 0 "[ . 1]" 1
119 1 9 CYS SG 1 26 CYS SG 3.700 3.680 3.720 4.056 3.843 4.799 1.079 9 2 "[ - . +1]" 1
120 1 10 GLN H 1 10 GLN HA 2.800 . 3.800 2.879 2.867 2.893 . 0 0 "[ . 1]" 1
121 1 10 GLN H 1 10 GLN HB3 2.900 . 4.000 3.204 2.494 3.633 . 0 0 "[ . 1]" 1
122 1 10 GLN H 1 11 TYR H 3.400 . 4.900 4.013 3.745 4.303 . 0 0 "[ . 1]" 1
123 1 10 GLN H 1 11 TYR HB3 4.300 . 6.000 5.567 5.280 5.698 . 0 0 "[ . 1]" 1
124 1 10 GLN HA 1 10 GLN HB3 2.100 . 2.700 2.487 2.310 2.693 . 0 0 "[ . 1]" 1
125 1 10 GLN HA 1 11 TYR H 4.700 . 6.000 2.238 2.134 2.428 . 0 0 "[ . 1]" 1
126 1 10 GLN HB2 1 11 TYR H 5.400 . 6.000 4.491 4.269 4.610 . 0 0 "[ . 1]" 1
127 1 11 TYR H 1 11 TYR HB2 3.200 . 4.500 3.238 3.001 3.454 . 0 0 "[ . 1]" 1
128 1 11 TYR H 1 11 TYR HB3 2.800 . 3.800 2.771 2.557 2.975 . 0 0 "[ . 1]" 1
129 1 11 TYR H 1 11 TYR QD 4.300 . 6.000 4.328 4.234 4.413 . 0 0 "[ . 1]" 1
130 1 11 TYR H 1 12 GLN H 4.600 . 6.000 4.134 3.983 4.394 . 0 0 "[ . 1]" 1
131 1 11 TYR HA 1 11 TYR HB2 2.300 . 2.900 2.463 2.423 2.504 . 0 0 "[ . 1]" 1
132 1 11 TYR HA 1 11 TYR QD 2.500 . 3.300 2.877 2.719 3.022 . 0 0 "[ . 1]" 1
133 1 11 TYR HA 1 11 TYR QE 3.600 . 5.200 4.679 4.619 4.740 . 0 0 "[ . 1]" 1
134 1 11 TYR HA 1 12 GLN H 2.100 . 2.700 2.146 2.121 2.170 . 0 0 "[ . 1]" 1
135 1 11 TYR HB2 1 11 TYR QD 2.300 . 3.000 2.435 2.377 2.490 . 0 0 "[ . 1]" 1
136 1 11 TYR HB2 1 11 TYR QE 2.400 . 3.100 3.026 2.904 3.158 0.058 7 0 "[ . 1]" 1
137 1 11 TYR HB2 1 12 GLN H 4.600 . 6.000 4.290 4.127 4.427 . 0 0 "[ . 1]" 1
138 1 11 TYR HB2 1 22 HIS HE1 2.800 . 3.800 3.584 3.439 3.808 0.008 9 0 "[ . 1]" 1
139 1 11 TYR HB3 1 11 TYR QD 2.100 . 2.700 2.374 2.326 2.440 . 0 0 "[ . 1]" 1
140 1 11 TYR HB3 1 11 TYR QE 3.400 . 4.800 4.411 4.392 4.436 . 0 0 "[ . 1]" 1
141 1 11 TYR HB3 1 12 GLN H 5.400 . 6.000 4.258 4.143 4.376 . 0 0 "[ . 1]" 1
142 1 11 TYR HB3 1 22 HIS HE1 3.300 . 4.700 4.177 3.946 4.475 . 0 0 "[ . 1]" 1
143 1 11 TYR QD 1 12 GLN H 3.100 . 4.300 3.712 3.499 3.950 . 0 0 "[ . 1]" 1
144 1 11 TYR QD 1 13 ALA HA 3.700 . 5.400 4.693 4.559 4.903 . 0 0 "[ . 1]" 1
145 1 11 TYR QD 1 13 ALA MB 2.700 . 3.600 3.064 2.783 3.417 . 0 0 "[ . 1]" 1
146 1 11 TYR QD 1 19 LEU HA 3.900 . 5.800 4.053 3.661 4.270 . 0 0 "[ . 1]" 1
147 1 11 TYR QD 1 19 LEU QD 2.500 . 3.300 3.016 2.360 3.310 0.010 6 0 "[ . 1]" 1
148 1 11 TYR QD 1 22 HIS H 5.200 . 6.000 6.010 5.857 6.081 0.081 4 0 "[ . 1]" 1
149 1 11 TYR QD 1 22 HIS HB2 3.200 . 4.500 4.221 4.096 4.416 . 0 0 "[ . 1]" 1
150 1 11 TYR QD 1 22 HIS HD2 2.800 . 3.800 3.633 3.473 3.767 . 0 0 "[ . 1]" 1
151 1 11 TYR QD 1 22 HIS HE1 3.400 . 4.800 3.869 3.580 4.228 . 0 0 "[ . 1]" 1
152 1 11 TYR QE 1 12 GLN H 3.500 . 5.000 4.729 4.413 5.051 0.051 7 0 "[ . 1]" 1
153 1 11 TYR QE 1 13 ALA HA 2.700 . 3.600 3.622 3.413 3.690 0.090 8 0 "[ . 1]" 1
154 1 11 TYR QE 1 13 ALA MB 2.000 . 2.500 2.006 1.627 2.354 . 0 0 "[ . 1]" 1
155 1 11 TYR QE 1 19 LEU HA 2.600 . 3.500 3.237 2.690 3.495 . 0 0 "[ . 1]" 1
156 1 11 TYR QE 1 19 LEU QD 2.900 . 3.900 3.616 3.084 3.894 . 0 0 "[ . 1]" 1
157 1 11 TYR QE 1 22 HIS H 4.600 . 6.000 4.803 4.600 4.932 . 0 0 "[ . 1]" 1
158 1 11 TYR QE 1 22 HIS HB2 2.500 . 3.300 3.082 2.944 3.234 . 0 0 "[ . 1]" 1
159 1 11 TYR QE 1 22 HIS HD2 3.300 . 4.700 4.668 4.539 4.750 0.050 9 0 "[ . 1]" 1
160 1 11 TYR QE 1 22 HIS HE1 5.000 . 6.000 4.713 4.529 5.005 . 0 0 "[ . 1]" 1
161 1 12 GLN H 1 12 GLN HB2 2.700 . 3.600 2.824 2.460 3.826 0.226 4 0 "[ . 1]" 1
162 1 12 GLN H 1 12 GLN HB3 3.100 . 4.300 3.463 2.622 3.795 . 0 0 "[ . 1]" 1
163 1 12 GLN H 1 12 GLN HG2 3.700 . 5.400 3.653 2.381 4.739 . 0 0 "[ . 1]" 1
164 1 12 GLN H 1 12 GLN HG3 4.200 . 6.000 3.108 2.242 4.492 . 0 0 "[ . 1]" 1
165 1 12 GLN HA 1 13 ALA H 3.100 . 4.300 2.161 2.095 2.287 . 0 0 "[ . 1]" 1
166 1 13 ALA H 1 13 ALA MB 3.100 . 4.300 2.419 2.270 2.519 . 0 0 "[ . 1]" 1
167 1 13 ALA HA 1 13 ALA MB 2.200 . 2.800 2.130 2.126 2.133 . 0 0 "[ . 1]" 1
168 1 13 ALA HA 1 14 PRO QD 2.400 . 3.100 1.860 1.757 2.023 . 0 0 "[ . 1]" 1
169 1 13 ALA HA 1 15 ASP H 6.000 . 6.000 3.927 3.713 4.145 . 0 0 "[ . 1]" 1
170 1 13 ALA MB 1 14 PRO QD 3.300 . 3.800 2.768 2.379 2.948 . 0 0 "[ . 1]" 1
171 1 13 ALA MB 1 14 PRO QD 2.900 . 3.300 2.456 2.187 2.719 . 0 0 "[ . 1]" 1
172 1 13 ALA MB 1 15 ASP H 2.500 . 3.300 3.049 2.817 3.343 0.043 10 0 "[ . 1]" 1
173 1 13 ALA MB 1 18 THR HB 2.600 . 3.500 2.286 1.888 2.792 . 0 0 "[ . 1]" 1
174 1 14 PRO HA 1 14 PRO HB2 2.600 . 3.400 2.824 2.692 2.944 . 0 0 "[ . 1]" 1
175 1 14 PRO HA 1 14 PRO HB3 2.900 . 4.000 2.283 2.268 2.304 . 0 0 "[ . 1]" 1
176 1 14 PRO HA 1 14 PRO QG 3.700 . 5.400 3.300 3.021 3.521 . 0 0 "[ . 1]" 1
177 1 14 PRO HA 1 15 ASP H 3.900 . 5.800 3.519 3.473 3.550 . 0 0 "[ . 1]" 1
178 1 14 PRO HB2 1 14 PRO QD 3.500 . 5.100 3.217 2.857 3.549 . 0 0 "[ . 1]" 1
179 1 14 PRO HB2 1 14 PRO QD 2.500 . 3.300 2.750 2.615 2.870 . 0 0 "[ . 1]" 1
180 1 14 PRO HB2 1 15 ASP H 3.600 . 5.200 3.036 2.596 3.384 . 0 0 "[ . 1]" 1
181 1 14 PRO HB3 1 14 PRO QD 2.600 . 3.500 3.235 2.864 3.527 0.027 4 0 "[ . 1]" 1
182 1 14 PRO HB3 1 15 ASP H 4.500 . 6.000 4.085 3.953 4.208 . 0 0 "[ . 1]" 1
183 1 14 PRO QD 1 14 PRO QG 2.200 . 2.800 1.968 1.947 1.984 . 0 0 "[ . 1]" 1
184 1 14 PRO QD 1 15 ASP H 3.500 . 5.000 2.385 2.178 2.800 . 0 0 "[ . 1]" 1
185 1 14 PRO QD 1 18 THR MG 2.900 . 3.900 2.853 2.329 3.360 . 0 0 "[ . 1]" 1
186 1 14 PRO QG 1 15 ASP H 2.800 . 3.800 2.956 2.166 3.689 . 0 0 "[ . 1]" 1
187 1 15 ASP H 1 15 ASP QB 3.400 . 4.900 2.380 2.296 2.432 . 0 0 "[ . 1]" 1
188 1 15 ASP H 1 18 THR HB 2.700 . 3.600 2.943 2.701 3.170 . 0 0 "[ . 1]" 1
189 1 15 ASP H 1 19 LEU H 3.900 . 5.800 4.514 4.341 4.682 . 0 0 "[ . 1]" 1
190 1 15 ASP HA 1 15 ASP QB 2.500 . 3.300 2.377 2.306 2.498 . 0 0 "[ . 1]" 1
191 1 15 ASP HA 1 16 MET H 3.000 . 4.200 2.240 2.200 2.316 . 0 0 "[ . 1]" 1
192 1 15 ASP QB 1 16 MET H 2.800 . 3.800 3.272 2.736 3.694 . 0 0 "[ . 1]" 1
193 1 15 ASP QB 1 17 ASP H 3.200 . 4.500 3.245 2.258 4.248 . 0 0 "[ . 1]" 1
194 1 15 ASP QB 1 18 THR H 4.100 . 6.000 2.581 2.104 3.092 . 0 0 "[ . 1]" 1
195 1 16 MET H 1 16 MET QB 2.700 . 3.600 2.246 2.172 2.274 . 0 0 "[ . 1]" 1
196 1 16 MET HA 1 16 MET QB 2.300 . 3.000 2.383 2.356 2.454 . 0 0 "[ . 1]" 1
197 1 16 MET HA 1 16 MET QG 3.200 . 4.500 2.412 2.349 2.462 . 0 0 "[ . 1]" 1
198 1 16 MET HA 1 17 ASP H 3.600 . 5.200 3.513 3.466 3.557 . 0 0 "[ . 1]" 1
199 1 16 MET HA 1 19 LEU HB3 2.800 . 3.700 2.779 2.370 3.180 . 0 0 "[ . 1]" 1
200 1 16 MET HA 1 19 LEU QD 3.600 . 5.200 3.375 3.044 3.729 . 0 0 "[ . 1]" 1
201 1 16 MET QB 1 17 ASP H 2.900 . 3.900 2.661 2.576 2.804 . 0 0 "[ . 1]" 1
202 1 16 MET QB 1 19 LEU HB3 3.700 . 5.400 4.611 4.251 5.009 . 0 0 "[ . 1]" 1
203 1 16 MET QG 1 19 LEU QD 2.900 . 3.900 3.179 2.573 3.793 . 0 0 "[ . 1]" 1
204 1 17 ASP H 1 17 ASP QB 2.400 . 3.100 2.367 2.185 2.591 . 0 0 "[ . 1]" 1
205 1 17 ASP H 1 18 THR H 2.800 . 3.800 2.713 2.574 2.903 . 0 0 "[ . 1]" 1
206 1 17 ASP HA 1 17 ASP QB 2.300 . 2.900 2.394 2.327 2.437 . 0 0 "[ . 1]" 1
207 1 17 ASP HA 1 18 THR H 4.200 . 6.000 3.529 3.509 3.548 . 0 0 "[ . 1]" 1
208 1 17 ASP HA 1 20 GLN H 3.400 . 4.800 3.486 3.227 3.791 . 0 0 "[ . 1]" 1
209 1 17 ASP HB2 1 18 THR H 2.500 . 3.300 2.833 2.202 3.488 0.188 7 0 "[ . 1]" 1
210 1 17 ASP HB3 1 21 ILE MD 2.800 . 3.800 3.481 3.122 3.887 0.087 9 0 "[ . 1]" 1
211 1 18 THR H 1 18 THR HA 2.600 . 3.500 2.760 2.736 2.774 . 0 0 "[ . 1]" 1
212 1 18 THR H 1 18 THR HB 2.700 . 3.600 2.648 2.498 2.762 . 0 0 "[ . 1]" 1
213 1 18 THR H 1 18 THR MG 3.400 . 4.800 3.740 3.710 3.759 . 0 0 "[ . 1]" 1
214 1 18 THR H 1 19 LEU H 2.700 . 3.600 2.833 2.749 2.908 . 0 0 "[ . 1]" 1
215 1 18 THR HA 1 18 THR MG 2.200 . 2.800 1.986 1.962 2.011 . 0 0 "[ . 1]" 1
216 1 18 THR HA 1 18 THR MG 2.200 . 2.800 2.366 2.291 2.452 . 0 0 "[ . 1]" 1
217 1 18 THR HA 1 19 LEU H 2.900 . 4.000 3.552 3.537 3.566 . 0 0 "[ . 1]" 1
218 1 18 THR HA 1 20 GLN H 4.000 . 6.000 4.638 4.525 4.730 . 0 0 "[ . 1]" 1
219 1 18 THR HA 1 21 ILE H 3.500 . 5.000 3.624 3.496 3.752 . 0 0 "[ . 1]" 1
220 1 18 THR HA 1 21 ILE MD 2.700 . 3.600 2.313 2.133 2.450 . 0 0 "[ . 1]" 1
221 1 18 THR HA 1 21 ILE HG12 4.300 . 6.000 4.662 4.550 4.745 . 0 0 "[ . 1]" 1
222 1 18 THR HA 1 21 ILE HG13 3.600 . 5.200 3.326 3.225 3.411 . 0 0 "[ . 1]" 1
223 1 18 THR HA 1 21 ILE MG 4.300 . 6.000 4.085 3.836 4.231 . 0 0 "[ . 1]" 1
224 1 18 THR HB 1 18 THR MG 2.200 . 2.800 2.135 2.133 2.138 . 0 0 "[ . 1]" 1
225 1 18 THR HB 1 19 LEU H 3.000 . 4.100 2.547 2.440 2.623 . 0 0 "[ . 1]" 1
226 1 18 THR HB 1 21 ILE HG13 5.300 . 6.000 6.007 5.926 6.033 0.033 8 0 "[ . 1]" 1
227 1 18 THR HB 1 22 HIS HB2 2.700 . 6.000 5.942 5.751 6.041 0.041 2 0 "[ . 1]" 1
228 1 19 LEU H 1 19 LEU HA 2.800 . 3.800 2.802 2.784 2.827 . 0 0 "[ . 1]" 1
229 1 19 LEU H 1 19 LEU HB2 2.300 . 2.900 2.552 2.485 2.625 . 0 0 "[ . 1]" 1
230 1 19 LEU H 1 19 LEU HB3 2.400 . 3.100 2.507 2.465 2.568 . 0 0 "[ . 1]" 1
231 1 19 LEU H 1 19 LEU QD 5.000 . 6.000 3.728 3.696 3.757 . 0 0 "[ . 1]" 1
232 1 19 LEU H 1 19 LEU HG 4.600 . 6.000 4.457 4.433 4.480 . 0 0 "[ . 1]" 1
233 1 19 LEU H 1 20 GLN H 2.800 . 3.800 2.774 2.664 2.879 . 0 0 "[ . 1]" 1
234 1 19 LEU HA 1 19 LEU HB2 2.400 . 3.100 2.440 2.406 2.458 . 0 0 "[ . 1]" 1
235 1 19 LEU HA 1 19 LEU QD 2.100 . 2.600 2.129 2.068 2.220 . 0 0 "[ . 1]" 1
236 1 19 LEU HA 1 19 LEU HG 2.900 . 3.900 3.057 2.976 3.156 . 0 0 "[ . 1]" 1
237 1 19 LEU HA 1 20 GLN H 4.000 . 6.000 3.559 3.547 3.573 . 0 0 "[ . 1]" 1
238 1 19 LEU HA 1 23 VAL H 3.400 . 4.900 3.341 3.312 3.366 . 0 0 "[ . 1]" 1
239 1 19 LEU HB2 1 19 LEU QD 2.400 . 3.100 2.123 2.111 2.142 . 0 0 "[ . 1]" 1
240 1 19 LEU HB2 1 20 GLN H 3.300 . 4.700 3.786 3.730 3.863 . 0 0 "[ . 1]" 1
241 1 19 LEU HB3 1 19 LEU QD 2.900 . 2.900 2.221 2.208 2.246 . 0 0 "[ . 1]" 1
242 1 19 LEU HB3 1 20 GLN H 2.800 . 3.800 2.166 2.124 2.253 . 0 0 "[ . 1]" 1
243 1 19 LEU QD 1 19 LEU HG 2.300 . 2.900 1.892 1.890 1.894 0.010 1 0 "[ . 1]" 1
244 1 19 LEU QD 1 20 GLN H 5.000 . 6.000 3.684 3.563 3.805 . 0 0 "[ . 1]" 1
245 1 19 LEU QD 1 20 GLN HA 3.400 . 4.800 4.040 3.869 4.151 . 0 0 "[ . 1]" 1
246 1 19 LEU QD 1 22 HIS HB2 3.500 . 5.000 4.498 3.983 4.766 . 0 0 "[ . 1]" 1
247 1 19 LEU QD 1 22 HIS HD2 2.700 . 3.600 3.308 2.833 3.549 . 0 0 "[ . 1]" 1
248 1 19 LEU QD 1 23 VAL H 3.500 . 5.100 3.968 3.806 4.201 . 0 0 "[ . 1]" 1
249 1 19 LEU QD 1 23 VAL QG 2.900 . 3.600 2.478 2.202 2.663 . 0 0 "[ . 1]" 1
250 1 19 LEU HG 1 20 GLN H 3.400 . 4.900 3.550 3.273 3.688 . 0 0 "[ . 1]" 1
251 1 19 LEU HG 1 20 GLN HA 3.000 . 4.100 3.488 3.172 3.598 . 0 0 "[ . 1]" 1
252 1 19 LEU HG 1 22 HIS HD2 4.500 . 6.000 4.925 4.194 5.354 . 0 0 "[ . 1]" 1
253 1 20 GLN H 1 20 GLN HA 2.800 . 3.800 2.801 2.781 2.818 . 0 0 "[ . 1]" 1
254 1 20 GLN H 1 20 GLN HB3 2.900 . 3.900 3.104 2.532 3.605 . 0 0 "[ . 1]" 1
255 1 20 GLN H 1 20 GLN QG 3.200 . 4.500 3.114 2.041 4.067 . 0 0 "[ . 1]" 1
256 1 20 GLN H 1 21 ILE H 2.700 . 3.600 2.735 2.641 2.803 . 0 0 "[ . 1]" 1
257 1 20 GLN HA 1 20 GLN HB2 2.400 . 3.100 2.759 2.455 3.027 . 0 0 "[ . 1]" 1
258 1 20 GLN HA 1 20 GLN HB3 2.400 . 3.100 2.754 2.430 3.028 . 0 0 "[ . 1]" 1
259 1 20 GLN HA 1 20 GLN QG 2.800 . 3.800 2.656 2.338 3.061 . 0 0 "[ . 1]" 1
260 1 20 GLN HA 1 21 ILE H 3.900 . 5.800 3.545 3.537 3.562 . 0 0 "[ . 1]" 1
261 1 20 GLN HA 1 23 VAL H 3.500 . 5.000 3.373 3.144 3.614 . 0 0 "[ . 1]" 1
262 1 20 GLN HA 1 23 VAL HB 2.700 . 3.600 2.727 2.364 3.044 . 0 0 "[ . 1]" 1
263 1 20 GLN HA 1 23 VAL QG 2.400 . 3.100 2.934 2.654 3.075 . 0 0 "[ . 1]" 1
264 1 20 GLN HA 1 24 MET H 4.600 . 6.000 4.098 3.892 4.356 . 0 0 "[ . 1]" 1
265 1 20 GLN HB2 1 21 ILE H 3.300 . 4.700 3.191 2.399 3.879 . 0 0 "[ . 1]" 1
266 1 20 GLN HB3 1 21 ILE H 3.400 . 4.900 3.070 2.364 3.680 . 0 0 "[ . 1]" 1
267 1 21 ILE H 1 21 ILE HA 2.800 . 3.800 2.797 2.783 2.814 . 0 0 "[ . 1]" 1
268 1 21 ILE H 1 21 ILE HB 2.500 . 3.300 2.586 2.545 2.648 . 0 0 "[ . 1]" 1
269 1 21 ILE H 1 21 ILE MD 4.400 . 6.000 3.536 3.465 3.604 . 0 0 "[ . 1]" 1
270 1 21 ILE H 1 21 ILE HG12 2.800 . 3.800 3.309 3.218 3.386 . 0 0 "[ . 1]" 1
271 1 21 ILE H 1 21 ILE HG13 2.700 . 3.600 2.033 1.921 2.134 . 0 0 "[ . 1]" 1
272 1 21 ILE H 1 21 ILE MG 4.000 . 6.000 3.776 3.767 3.790 . 0 0 "[ . 1]" 1
273 1 21 ILE H 1 22 HIS H 2.700 . 3.600 2.773 2.740 2.805 . 0 0 "[ . 1]" 1
274 1 21 ILE HA 1 21 ILE HB 2.700 . 3.600 3.027 3.025 3.031 . 0 0 "[ . 1]" 1
275 1 21 ILE HA 1 21 ILE MD 3.700 . 5.400 3.845 3.819 3.872 . 0 0 "[ . 1]" 1
276 1 21 ILE HA 1 21 ILE HG12 2.800 . 3.800 2.557 2.503 2.611 . 0 0 "[ . 1]" 1
277 1 21 ILE HA 1 21 ILE HG13 2.900 . 3.900 3.021 2.950 3.050 . 0 0 "[ . 1]" 1
278 1 21 ILE HA 1 21 ILE MG 2.400 . 3.100 2.401 2.356 2.431 . 0 0 "[ . 1]" 1
279 1 21 ILE HA 1 22 HIS H 3.900 . 5.800 3.555 3.545 3.571 . 0 0 "[ . 1]" 1
280 1 21 ILE HA 1 24 MET H 3.500 . 5.100 3.706 3.568 3.932 . 0 0 "[ . 1]" 1
281 1 21 ILE HA 1 24 MET QB 3.100 . 4.300 3.073 2.788 3.376 . 0 0 "[ . 1]" 1
282 1 21 ILE HB 1 21 ILE MD 2.600 . 3.400 2.415 2.396 2.440 . 0 0 "[ . 1]" 1
283 1 21 ILE HB 1 21 ILE MG 2.100 . 2.700 2.130 2.127 2.134 . 0 0 "[ . 1]" 1
284 1 21 ILE HB 1 22 HIS H 2.800 . 3.800 2.417 2.313 2.545 . 0 0 "[ . 1]" 1
285 1 21 ILE MD 1 21 ILE HG12 2.300 . 3.000 2.117 2.114 2.119 . 0 0 "[ . 1]" 1
286 1 21 ILE HG12 1 21 ILE MG 2.800 . 3.800 2.375 2.351 2.398 . 0 0 "[ . 1]" 1
287 1 21 ILE HG12 1 22 HIS H 4.900 . 6.000 4.887 4.846 4.952 . 0 0 "[ . 1]" 1
288 1 21 ILE HG13 1 22 HIS H 4.800 . 6.000 4.117 4.022 4.222 . 0 0 "[ . 1]" 1
289 1 21 ILE MG 1 22 HIS H 3.700 . 5.400 3.315 3.216 3.415 . 0 0 "[ . 1]" 1
290 1 22 HIS H 1 22 HIS HA 3.000 . 4.200 2.799 2.775 2.828 . 0 0 "[ . 1]" 1
291 1 22 HIS H 1 22 HIS HB2 2.800 . 3.800 2.691 2.600 2.773 . 0 0 "[ . 1]" 1
292 1 22 HIS H 1 22 HIS HB3 2.600 . 3.400 2.412 2.363 2.477 . 0 0 "[ . 1]" 1
293 1 22 HIS H 1 23 VAL H 2.800 . 3.800 2.778 2.676 2.835 . 0 0 "[ . 1]" 1
294 1 22 HIS H 1 23 VAL QG 5.100 . 6.000 4.115 3.998 4.181 . 0 0 "[ . 1]" 1
295 1 22 HIS HA 1 22 HIS HB2 2.200 . 2.800 2.392 2.364 2.421 . 0 0 "[ . 1]" 1
296 1 22 HIS HA 1 22 HIS HB3 2.500 . 3.300 3.022 3.012 3.027 . 0 0 "[ . 1]" 1
297 1 22 HIS HA 1 22 HIS HD2 3.700 . 5.400 4.436 4.292 4.561 . 0 0 "[ . 1]" 1
298 1 22 HIS HA 1 22 HIS HE1 5.000 . 6.000 5.173 5.099 5.257 . 0 0 "[ . 1]" 1
299 1 22 HIS HA 1 25 GLU H 4.000 . 6.000 3.417 3.278 3.603 . 0 0 "[ . 1]" 1
300 1 22 HIS HA 1 25 GLU HB2 3.200 . 4.500 3.408 2.522 4.611 0.111 7 0 "[ . 1]" 1
301 1 22 HIS HA 1 25 GLU HB3 3.100 . 4.300 3.754 2.274 4.605 0.305 9 0 "[ . 1]" 1
302 1 22 HIS HB2 1 22 HIS HE1 5.300 . 6.000 4.814 4.796 4.849 . 0 0 "[ . 1]" 1
303 1 22 HIS HB2 1 23 VAL H 2.600 . 3.400 2.760 2.742 2.775 . 0 0 "[ . 1]" 1
304 1 22 HIS HB3 1 22 HIS HD2 3.000 . 4.100 2.753 2.719 2.780 . 0 0 "[ . 1]" 1
305 1 22 HIS HB3 1 23 VAL H 2.900 . 3.900 2.633 2.460 2.739 . 0 0 "[ . 1]" 1
306 1 22 HIS HD2 1 23 VAL H 3.000 . 4.100 3.444 3.216 3.616 . 0 0 "[ . 1]" 1
307 1 22 HIS HD2 1 23 VAL HA 2.300 . 3.000 3.044 2.974 3.093 0.093 3 0 "[ . 1]" 1
308 1 22 HIS HD2 1 23 VAL HB 4.300 . 6.000 4.963 4.616 5.195 . 0 0 "[ . 1]" 1
309 1 22 HIS HD2 1 23 VAL QG 2.700 . 3.600 2.706 2.308 2.983 . 0 0 "[ . 1]" 1
310 1 22 HIS HD2 1 26 CYS HB2 3.100 . 4.300 3.316 3.022 3.654 . 0 0 "[ . 1]" 1
311 1 22 HIS HD2 1 26 CYS HB3 3.800 . 5.600 3.978 3.553 4.383 . 0 0 "[ . 1]" 1
312 1 22 HIS HE1 1 26 CYS HA 4.000 . 6.000 4.980 4.376 5.755 . 0 0 "[ . 1]" 1
313 1 22 HIS HE1 1 26 CYS HB2 4.100 . 6.000 3.996 3.649 4.270 . 0 0 "[ . 1]" 1
314 1 22 HIS HE1 1 26 CYS HB3 3.900 . 5.800 5.561 5.052 5.868 0.068 5 0 "[ . 1]" 1
315 1 22 HIS NE2 1 26 CYS SG 3.500 3.480 3.520 3.654 3.440 3.759 0.239 5 0 "[ . 1]" 1
316 1 23 VAL H 1 23 VAL HB 2.500 . 3.300 2.560 2.510 2.605 . 0 0 "[ . 1]" 1
317 1 23 VAL H 1 23 VAL QG 2.300 . 3.000 2.092 2.049 2.198 . 0 0 "[ . 1]" 1
318 1 23 VAL H 1 24 MET H 2.700 . 3.600 2.695 2.637 2.766 . 0 0 "[ . 1]" 1
319 1 23 VAL HA 1 23 VAL QG 2.300 . 2.800 2.132 2.121 2.148 . 0 0 "[ . 1]" 1
320 1 23 VAL HA 1 24 MET H 3.800 . 5.600 3.530 3.511 3.542 . 0 0 "[ . 1]" 1
321 1 23 VAL HA 1 25 GLU H 3.900 . 5.800 4.187 3.912 4.386 . 0 0 "[ . 1]" 1
322 1 23 VAL HA 1 26 CYS H 3.300 . 4.700 3.177 3.019 3.337 . 0 0 "[ . 1]" 1
323 1 23 VAL HA 1 26 CYS HB2 2.500 . 3.300 2.747 2.067 3.354 0.054 7 0 "[ . 1]" 1
324 1 23 VAL HA 1 26 CYS HB3 2.400 . 3.100 2.153 1.854 2.424 . 0 0 "[ . 1]" 1
325 1 23 VAL HA 1 27 ILE H 4.100 . 6.000 5.688 4.084 6.192 0.192 2 0 "[ . 1]" 1
326 1 23 VAL HB 1 23 VAL QG 2.200 . 2.800 1.898 1.896 1.899 . 0 0 "[ . 1]" 1
327 1 23 VAL HB 1 24 MET H 3.200 . 4.500 2.802 2.695 2.906 . 0 0 "[ . 1]" 1
328 1 23 VAL QG 1 24 MET H 4.100 . 5.400 3.299 3.213 3.379 . 0 0 "[ . 1]" 1
329 1 23 VAL QG 1 24 MET HG2 4.200 . 5.400 4.229 3.881 4.589 . 0 0 "[ . 1]" 1
330 1 23 VAL QG 1 24 MET HG3 5.200 . 6.000 4.211 3.662 5.436 . 0 0 "[ . 1]" 1
331 1 24 MET H 1 24 MET HA 3.000 . 4.100 2.845 2.808 2.878 . 0 0 "[ . 1]" 1
332 1 24 MET H 1 24 MET QB 2.500 . 3.300 2.416 2.364 2.493 . 0 0 "[ . 1]" 1
333 1 24 MET H 1 24 MET HG2 3.100 . 4.300 3.294 2.208 3.630 . 0 0 "[ . 1]" 1
334 1 24 MET H 1 24 MET HG3 3.200 . 4.500 2.662 2.229 3.744 . 0 0 "[ . 1]" 1
335 1 24 MET H 1 25 GLU H 2.700 . 3.600 2.552 2.424 2.676 . 0 0 "[ . 1]" 1
336 1 24 MET HA 1 24 MET QB 2.300 . 3.000 2.387 2.354 2.404 . 0 0 "[ . 1]" 1
337 1 24 MET HA 1 24 MET HG2 3.800 . 5.600 2.620 2.414 3.197 . 0 0 "[ . 1]" 1
338 1 24 MET HA 1 24 MET HG3 3.200 . 4.500 3.180 2.954 3.755 . 0 0 "[ . 1]" 1
339 1 24 MET HA 1 25 GLU H 3.500 . 5.000 3.494 3.417 3.541 . 0 0 "[ . 1]" 1
340 1 24 MET QB 1 25 GLU H 2.500 . 3.300 2.588 2.004 2.872 . 0 0 "[ . 1]" 1
341 1 25 GLU H 1 25 GLU HA 2.800 . 3.800 2.902 2.863 2.945 . 0 0 "[ . 1]" 1
342 1 25 GLU H 1 25 GLU HB2 2.900 . 4.000 2.661 2.353 3.633 . 0 0 "[ . 1]" 1
343 1 25 GLU H 1 25 GLU HB3 2.900 . 3.900 3.099 2.370 3.634 . 0 0 "[ . 1]" 1
344 1 25 GLU H 1 26 CYS H 2.500 . 3.300 2.347 2.210 2.491 . 0 0 "[ . 1]" 1
345 1 25 GLU HA 1 25 GLU HB2 2.700 . 3.600 2.765 2.443 3.026 . 0 0 "[ . 1]" 1
346 1 25 GLU HA 1 25 GLU HB3 2.400 . 3.100 2.680 2.410 3.028 . 0 0 "[ . 1]" 1
347 1 25 GLU HA 1 26 CYS H 3.400 . 4.900 3.343 3.183 3.482 . 0 0 "[ . 1]" 1
348 1 25 GLU HB2 1 26 CYS H 3.900 . 5.800 3.628 2.806 4.288 . 0 0 "[ . 1]" 1
349 1 25 GLU HB3 1 26 CYS H 5.000 . 6.000 3.760 2.579 4.282 . 0 0 "[ . 1]" 1
350 1 26 CYS H 1 26 CYS HA 3.000 . 4.100 2.890 2.836 2.937 . 0 0 "[ . 1]" 1
351 1 26 CYS H 1 26 CYS HB2 2.700 . 3.600 2.614 2.348 2.757 . 0 0 "[ . 1]" 1
352 1 26 CYS H 1 26 CYS HB3 2.600 . 3.500 2.524 2.404 2.648 . 0 0 "[ . 1]" 1
353 1 26 CYS H 1 27 ILE H 3.100 . 4.300 3.532 2.456 4.396 0.096 4 0 "[ . 1]" 1
354 1 26 CYS HA 1 26 CYS HB2 2.800 . 3.800 2.498 2.390 2.548 . 0 0 "[ . 1]" 1
355 1 26 CYS HA 1 26 CYS HB3 2.500 . 3.300 3.022 3.009 3.029 . 0 0 "[ . 1]" 1
356 1 26 CYS HA 1 27 ILE H 2.800 . 3.800 2.568 2.085 3.439 . 0 0 "[ . 1]" 1
357 1 26 CYS HB2 1 27 ILE H 3.800 . 5.600 4.437 3.859 4.637 . 0 0 "[ . 1]" 1
358 1 26 CYS HB3 1 27 ILE H 4.000 . 6.000 4.142 2.860 4.507 . 0 0 "[ . 1]" 1
359 1 27 ILE H 1 27 ILE MD 3.900 . 5.800 2.869 1.987 3.777 0.013 2 0 "[ . 1]" 1
360 1 27 ILE H 1 27 ILE HG12 3.500 . 5.100 2.762 1.786 4.030 0.114 10 0 "[ . 1]" 1
361 1 27 ILE H 1 27 ILE HG13 2.600 . 3.500 2.843 2.206 3.557 0.057 2 0 "[ . 1]" 1
362 1 27 ILE H 1 28 GLU H 3.300 . 4.700 3.323 1.936 4.596 . 0 0 "[ . 1]" 1
363 1 27 ILE HA 1 27 ILE HG13 2.800 . 3.800 3.322 2.283 3.766 . 0 0 "[ . 1]" 1
364 1 27 ILE HA 1 27 ILE MG 2.700 . 3.600 2.348 2.225 2.538 . 0 0 "[ . 1]" 1
365 1 27 ILE HA 1 28 GLU H 2.800 . 3.800 2.574 2.085 2.805 . 0 0 "[ . 1]" 1
366 1 27 ILE HB 1 27 ILE MD 2.200 . 2.800 1.998 1.975 2.009 . 0 0 "[ . 1]" 1
367 1 27 ILE HB 1 28 GLU H 3.600 . 5.200 3.118 1.970 4.428 0.030 6 0 "[ . 1]" 1
368 1 27 ILE HG13 1 28 GLU H 6.000 . 6.000 3.821 1.329 5.139 0.171 7 0 "[ . 1]" 1
369 1 27 ILE MG 1 28 GLU H 3.600 . 5.200 3.467 2.486 4.036 . 0 0 "[ . 1]" 1
370 1 28 GLU H 1 28 GLU HB2 3.100 . 4.300 2.968 2.358 3.683 . 0 0 "[ . 1]" 1
371 1 28 GLU H 1 28 GLU HB3 3.200 . 4.500 3.254 2.640 3.867 . 0 0 "[ . 1]" 1
372 1 28 GLU H 1 28 GLU QG 4.100 . 6.000 3.434 2.044 4.335 . 0 0 "[ . 1]" 1
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