NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
616454 |
5lo3   |
34032 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lo3
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 295
_Distance_constraint_stats_list.Viol_count 596
_Distance_constraint_stats_list.Viol_total 2610.648
_Distance_constraint_stats_list.Viol_max 1.436
_Distance_constraint_stats_list.Viol_rms 0.0997
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0221
_Distance_constraint_stats_list.Viol_average_violations_only 0.2190
_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 2 PRO 0.785 0.210 13 0 "[ . 1 . 2]"
1 3 PRO 20.585 1.253 12 20 [******-****+********]
1 4 THR 5.269 0.227 8 0 "[ . 1 . 2]"
1 5 LYS 11.984 0.612 7 6 "[ *.*+* 1 .- *]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 THR 8.003 0.406 19 0 "[ . 1 . 2]"
1 8 LYS 11.358 0.629 6 2 "[ -.+ 1 . 2]"
1 9 PRO 13.990 0.792 7 7 "[ *. +* ** *. -]"
1 10 GLY 6.023 0.311 7 0 "[ . 1 . 2]"
1 11 ASP 7.524 0.426 11 0 "[ . 1 . 2]"
1 12 ASN 7.156 0.792 7 6 "[ . +* *- *. *]"
1 13 ALA 6.713 0.517 11 2 "[ . 1+ . -]"
1 14 THR 8.077 0.792 7 5 "[ . +* - *. *]"
1 15 PRO 8.990 0.491 13 0 "[ . 1 . 2]"
1 16 GLU 13.135 0.550 14 1 "[ . 1 +. 2]"
1 17 LYS 2.514 0.406 13 0 "[ . 1 . 2]"
1 18 LEU 3.077 0.502 4 1 "[ +. 1 . 2]"
1 19 ALA 0.428 0.066 10 0 "[ . 1 . 2]"
1 20 LYS 1.473 0.406 13 0 "[ . 1 . 2]"
1 22 GLN 5.094 0.265 3 0 "[ . 1 . 2]"
1 23 ALA 0.080 0.031 18 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 10.521 0.238 16 0 "[ . 1 . 2]"
1 26 ALA 2.364 0.150 14 0 "[ . 1 . 2]"
1 27 LYS 0.147 0.030 10 0 "[ . 1 . 2]"
1 29 GLN 16.309 1.436 12 17 "[****-***** +*** * **]"
1 30 LYS 4.505 0.219 14 0 "[ . 1 . 2]"
1 31 ASP 2.169 0.219 14 0 "[ . 1 . 2]"
1 32 LEU 35.548 1.436 12 20 [****-******+********]
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.088 0.088 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 2 PRO HB2 2.471 . 3.234 2.887 2.746 2.958 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 2 PRO HB2 2.380 . 3.088 2.821 2.693 2.884 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO HA 1 2 PRO HB3 2.359 . 3.055 2.283 2.244 2.296 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO HB2 1 3 PRO QD 2.419 . 3.150 2.925 2.312 3.360 0.210 13 0 "[ . 1 . 2]" 1
5 1 2 PRO HB3 1 3 PRO QD 2.350 . 3.041 2.652 2.250 2.877 . 0 0 "[ . 1 . 2]" 1
6 1 2 PRO HD2 1 2 PRO HG2 2.618 . 3.475 2.310 2.291 2.325 . 0 0 "[ . 1 . 2]" 1
7 1 2 PRO HD2 1 2 PRO QG 2.589 . 3.427 2.222 2.179 2.249 . 0 0 "[ . 1 . 2]" 1
8 1 2 PRO HD3 1 2 PRO QG 2.647 . 3.523 2.192 2.171 2.229 . 0 0 "[ . 1 . 2]" 1
9 1 2 PRO HD3 1 2 PRO HG3 2.722 . 3.648 2.298 2.281 2.307 . 0 0 "[ . 1 . 2]" 1
10 1 3 PRO HA 1 3 PRO HB2 2.341 . 3.026 2.831 2.703 2.952 . 0 0 "[ . 1 . 2]" 1
11 1 3 PRO HA 1 3 PRO HB3 2.668 . 3.558 2.287 2.266 2.312 . 0 0 "[ . 1 . 2]" 1
12 1 3 PRO HA 1 4 THR H 1.976 . 2.464 2.485 2.391 2.538 0.074 11 0 "[ . 1 . 2]" 1
13 1 3 PRO HB2 1 4 THR H 2.881 . 3.918 2.596 2.263 3.113 . 0 0 "[ . 1 . 2]" 1
14 1 3 PRO HB3 1 4 THR H 2.896 . 3.944 3.091 2.743 3.375 . 0 0 "[ . 1 . 2]" 1
15 1 3 PRO QD 1 3 PRO QG 2.675 . 3.570 1.960 1.943 1.972 . 0 0 "[ . 1 . 2]" 1
16 1 3 PRO QD 1 32 LEU QD 4.069 3.111 5.027 2.149 1.858 2.382 1.253 12 20 [******-****+********] 1
17 1 3 PRO HG2 1 32 LEU QD 2.292 . 2.949 2.673 2.170 2.875 . 0 0 "[ . 1 . 2]" 1
18 1 4 THR H 1 4 THR HA 2.602 . 3.449 2.816 2.780 2.851 . 0 0 "[ . 1 . 2]" 1
19 1 4 THR H 1 4 THR HB 2.876 2.228 3.524 3.552 3.514 3.580 0.056 18 0 "[ . 1 . 2]" 1
20 1 4 THR H 1 4 THR MG 2.819 . 3.676 2.507 2.299 2.757 . 0 0 "[ . 1 . 2]" 1
21 1 4 THR HA 1 4 THR HB 2.195 . 2.797 2.575 2.503 2.641 . 0 0 "[ . 1 . 2]" 1
22 1 4 THR HA 1 4 THR MG 2.097 . 2.647 2.248 2.189 2.306 . 0 0 "[ . 1 . 2]" 1
23 1 4 THR HA 1 5 LYS H 2.822 2.360 3.284 2.197 2.133 2.282 0.227 8 0 "[ . 1 . 2]" 1
24 1 4 THR HB 1 4 THR MG 2.173 . 2.763 2.133 2.131 2.134 . 0 0 "[ . 1 . 2]" 1
25 1 4 THR HB 1 5 LYS H 2.721 . 3.646 3.482 3.364 3.602 . 0 0 "[ . 1 . 2]" 1
26 1 4 THR MG 1 5 LYS H 3.174 . 4.433 2.191 1.740 3.114 0.175 4 0 "[ . 1 . 2]" 1
27 1 5 LYS H 1 5 LYS HA 2.583 . 3.417 2.866 2.766 2.911 . 0 0 "[ . 1 . 2]" 1
28 1 5 LYS H 1 5 LYS QB 2.466 . 3.109 2.683 2.413 2.808 . 0 0 "[ . 1 . 2]" 1
29 1 5 LYS H 1 5 LYS QB 2.847 2.098 3.596 2.623 2.391 2.737 . 0 0 "[ . 1 . 2]" 1
30 1 5 LYS HA 1 5 LYS QB 2.644 . 3.518 2.162 2.145 2.173 . 0 0 "[ . 1 . 2]" 1
31 1 5 LYS HA 1 5 LYS QD 2.833 . 3.767 4.065 3.665 4.379 0.612 7 6 "[ *.*+* 1 .- *]" 1
32 1 5 LYS HA 1 5 LYS QG 3.025 . 4.169 3.384 3.332 3.510 . 0 0 "[ . 1 . 2]" 1
33 1 5 LYS QB 1 5 LYS QD 2.824 2.028 3.620 2.154 2.051 2.307 . 0 0 "[ . 1 . 2]" 1
34 1 5 LYS QB 1 5 LYS QG 2.337 . 3.020 2.053 2.000 2.083 . 0 0 "[ . 1 . 2]" 1
35 1 5 LYS QD 1 5 LYS QG 2.800 2.139 3.461 2.061 2.004 2.093 0.135 16 0 "[ . 1 . 2]" 1
36 1 6 PRO HA 1 6 PRO HB3 2.531 . 3.332 2.290 2.265 2.320 . 0 0 "[ . 1 . 2]" 1
37 1 6 PRO HA 1 7 THR H 2.042 . 2.563 2.289 2.181 2.504 . 0 0 "[ . 1 . 2]" 1
38 1 6 PRO HB2 1 7 THR H 2.942 . 4.024 3.032 2.398 3.466 . 0 0 "[ . 1 . 2]" 1
39 1 6 PRO HB3 1 7 THR H 2.948 . 4.034 3.514 3.200 3.914 . 0 0 "[ . 1 . 2]" 1
40 1 6 PRO HD2 1 6 PRO HG3 2.403 . 3.125 2.856 2.707 2.986 . 0 0 "[ . 1 . 2]" 1
41 1 6 PRO HD3 1 6 PRO HG2 2.609 . 3.460 2.839 2.678 2.977 . 0 0 "[ . 1 . 2]" 1
42 1 6 PRO HD3 1 6 PRO HG3 2.535 . 3.338 2.272 2.236 2.300 . 0 0 "[ . 1 . 2]" 1
43 1 6 PRO HD3 1 25 LEU MD2 2.857 . 3.878 3.367 2.941 3.814 . 0 0 "[ . 1 . 2]" 1
44 1 6 PRO HG3 1 25 LEU MD2 2.684 . 3.584 2.731 2.107 3.374 . 0 0 "[ . 1 . 2]" 1
45 1 7 THR H 1 7 THR HA 2.915 . 3.977 2.845 2.802 2.919 . 0 0 "[ . 1 . 2]" 1
46 1 7 THR H 1 7 THR HB 2.860 2.221 3.699 2.661 2.531 2.813 . 0 0 "[ . 1 . 2]" 1
47 1 7 THR H 1 7 THR HB 2.353 . 3.045 2.623 2.500 2.758 . 0 0 "[ . 1 . 2]" 1
48 1 7 THR H 1 7 THR MG 2.703 . 3.616 1.974 1.870 2.140 . 0 0 "[ . 1 . 2]" 1
49 1 7 THR HA 1 7 THR HB 2.495 . 3.273 2.436 2.387 2.502 . 0 0 "[ . 1 . 2]" 1
50 1 7 THR HA 1 7 THR MG 2.206 . 2.815 3.215 3.209 3.221 0.406 19 0 "[ . 1 . 2]" 1
51 1 7 THR HA 1 8 LYS H 2.005 . 2.508 2.226 2.155 2.383 . 0 0 "[ . 1 . 2]" 1
52 1 7 THR HB 1 7 THR MG 2.091 . 2.638 2.132 2.130 2.135 . 0 0 "[ . 1 . 2]" 1
53 1 8 LYS H 1 8 LYS HA 2.586 . 3.422 2.864 2.819 2.907 . 0 0 "[ . 1 . 2]" 1
54 1 8 LYS H 1 8 LYS HB3 2.584 . 3.419 3.592 3.517 3.649 0.230 3 0 "[ . 1 . 2]" 1
55 1 8 LYS H 1 8 LYS HD3 3.331 2.292 4.370 3.224 2.402 3.445 . 0 0 "[ . 1 . 2]" 1
56 1 8 LYS HA 1 8 LYS HD2 4.000 2.949 5.051 2.858 2.320 3.519 0.629 6 2 "[ -.+ 1 . 2]" 1
57 1 8 LYS HA 1 8 LYS HD3 3.337 2.400 4.274 2.248 2.011 3.502 0.389 18 0 "[ . 1 . 2]" 1
58 1 8 LYS HA 1 8 LYS QG 3.022 . 4.164 2.941 2.384 3.138 . 0 0 "[ . 1 . 2]" 1
59 1 8 LYS HA 1 9 PRO HD2 2.269 . 2.912 2.432 2.109 2.770 . 0 0 "[ . 1 . 2]" 1
60 1 8 LYS HA 1 9 PRO HD3 2.173 . 2.763 2.043 1.800 2.285 . 0 0 "[ . 1 . 2]" 1
61 1 8 LYS HD2 1 8 LYS QG 2.276 . 2.924 2.336 2.155 2.391 . 0 0 "[ . 1 . 2]" 1
62 1 8 LYS HD3 1 8 LYS QG 2.468 . 3.230 2.349 2.301 2.440 . 0 0 "[ . 1 . 2]" 1
63 1 8 LYS QE 1 8 LYS HG2 2.879 . 3.915 2.558 2.181 2.870 . 0 0 "[ . 1 . 2]" 1
64 1 9 PRO HA 1 9 PRO HB2 2.386 . 3.098 2.780 2.691 2.950 . 0 0 "[ . 1 . 2]" 1
65 1 9 PRO HA 1 9 PRO HB3 2.560 . 3.379 2.288 2.254 2.319 . 0 0 "[ . 1 . 2]" 1
66 1 9 PRO HA 1 9 PRO QG 2.829 . 3.830 3.383 2.952 3.516 . 0 0 "[ . 1 . 2]" 1
67 1 9 PRO HA 1 10 GLY H 2.082 . 2.624 2.288 2.163 2.624 0.000 18 0 "[ . 1 . 2]" 1
68 1 9 PRO HB2 1 9 PRO QG 2.268 . 2.911 2.181 2.155 2.228 . 0 0 "[ . 1 . 2]" 1
69 1 9 PRO HB3 1 12 ASN HD21 3.390 2.197 4.583 4.674 3.244 5.375 0.792 7 5 "[ . +* - *. *]" 1
70 1 9 PRO HB3 1 13 ALA MB 2.398 . 3.117 3.414 2.374 3.634 0.517 11 2 "[ . 1+ . -]" 1
71 1 9 PRO HB3 1 18 LEU MD1 2.612 . 3.465 3.267 2.303 3.967 0.502 4 1 "[ +. 1 . 2]" 1
72 1 9 PRO HD2 1 9 PRO QG 2.443 . 3.189 2.200 2.172 2.243 . 0 0 "[ . 1 . 2]" 1
73 1 9 PRO HD3 1 9 PRO QG 2.407 . 3.131 2.192 2.167 2.224 . 0 0 "[ . 1 . 2]" 1
74 1 9 PRO QG 1 13 ALA MB 3.310 2.458 4.162 3.592 3.216 3.884 . 0 0 "[ . 1 . 2]" 1
75 1 9 PRO QG 1 18 LEU MD1 2.160 . 2.743 2.271 2.110 2.450 . 0 0 "[ . 1 . 2]" 1
76 1 9 PRO HG3 1 18 LEU HA 2.813 2.085 3.541 3.425 2.935 3.866 0.325 4 0 "[ . 1 . 2]" 1
77 1 9 PRO HG3 1 18 LEU HA 2.491 . 3.267 2.818 2.650 2.916 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLY H 1 10 GLY HA2 2.464 . 3.223 2.933 2.921 2.942 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLY H 1 10 GLY HA3 2.412 . 3.139 2.384 2.359 2.398 . 0 0 "[ . 1 . 2]" 1
80 1 10 GLY HA2 1 11 ASP H 2.456 . 3.210 3.511 3.506 3.521 0.311 7 0 "[ . 1 . 2]" 1
81 1 10 GLY HA3 1 11 ASP H 2.582 . 3.416 2.388 2.356 2.421 . 0 0 "[ . 1 . 2]" 1
82 1 11 ASP H 1 11 ASP HA 2.750 . 3.696 2.913 2.891 2.931 . 0 0 "[ . 1 . 2]" 1
83 1 11 ASP H 1 11 ASP HB2 2.646 . 3.521 2.953 2.439 3.657 0.136 6 0 "[ . 1 . 2]" 1
84 1 11 ASP H 1 11 ASP HB3 2.821 2.027 3.615 2.625 2.372 3.633 0.018 5 0 "[ . 1 . 2]" 1
85 1 11 ASP HA 1 11 ASP HB2 2.069 . 2.604 2.492 2.360 3.030 0.426 11 0 "[ . 1 . 2]" 1
86 1 11 ASP HA 1 11 ASP HB3 2.519 . 3.312 2.349 2.215 2.443 . 0 0 "[ . 1 . 2]" 1
87 1 11 ASP HA 1 12 ASN H 2.576 . 3.406 3.356 3.158 3.440 0.034 19 0 "[ . 1 . 2]" 1
88 1 11 ASP HA 1 13 ALA H 3.025 . 4.169 3.448 3.253 3.632 . 0 0 "[ . 1 . 2]" 1
89 1 12 ASN H 1 12 ASN HA 2.520 . 3.314 2.926 2.913 2.944 . 0 0 "[ . 1 . 2]" 1
90 1 12 ASN H 1 12 ASN QB 2.611 . 3.463 2.555 2.314 2.986 . 0 0 "[ . 1 . 2]" 1
91 1 12 ASN H 1 13 ALA H 2.623 . 3.483 2.621 2.293 2.718 . 0 0 "[ . 1 . 2]" 1
92 1 12 ASN HA 1 12 ASN QB 2.104 . 2.657 2.325 2.186 2.485 . 0 0 "[ . 1 . 2]" 1
93 1 12 ASN HA 1 13 ALA H 2.534 . 3.336 2.977 2.951 3.031 . 0 0 "[ . 1 . 2]" 1
94 1 12 ASN QB 1 12 ASN HD22 2.655 . 3.536 3.315 3.209 3.478 . 0 0 "[ . 1 . 2]" 1
95 1 12 ASN QB 1 13 ALA H 2.959 . 4.054 3.807 3.695 3.997 . 0 0 "[ . 1 . 2]" 1
96 1 12 ASN HB3 1 12 ASN HD21 2.324 . 2.999 2.719 2.211 3.499 0.500 11 1 "[ . 1+ . 2]" 1
97 1 12 ASN HD21 1 17 LYS HB2 3.024 . 4.167 4.056 2.980 4.363 0.196 16 0 "[ . 1 . 2]" 1
98 1 12 ASN HD21 1 17 LYS HB3 2.700 . 3.611 3.318 2.738 3.881 0.270 15 0 "[ . 1 . 2]" 1
99 1 13 ALA H 1 13 ALA HA 2.491 . 3.267 2.867 2.847 2.921 . 0 0 "[ . 1 . 2]" 1
100 1 13 ALA H 1 13 ALA MB 2.026 . 2.539 2.239 2.213 2.338 . 0 0 "[ . 1 . 2]" 1
101 1 13 ALA HA 1 13 ALA MB 2.160 . 2.743 2.120 2.116 2.126 . 0 0 "[ . 1 . 2]" 1
102 1 13 ALA HA 1 14 THR H 2.893 2.345 3.441 3.015 2.909 3.219 . 0 0 "[ . 1 . 2]" 1
103 1 13 ALA MB 1 14 THR H 3.028 2.229 3.827 3.532 3.355 3.602 . 0 0 "[ . 1 . 2]" 1
104 1 13 ALA MB 1 18 LEU MD1 2.195 . 2.797 2.267 2.197 2.312 . 0 0 "[ . 1 . 2]" 1
105 1 13 ALA MB 1 18 LEU MD2 3.095 2.378 4.112 3.535 3.125 3.624 . 0 0 "[ . 1 . 2]" 1
106 1 14 THR H 1 14 THR HA 2.528 . 3.327 2.808 2.762 2.852 . 0 0 "[ . 1 . 2]" 1
107 1 14 THR H 1 14 THR HB 3.208 . 4.494 3.582 3.498 3.617 . 0 0 "[ . 1 . 2]" 1
108 1 14 THR H 1 14 THR MG 2.106 . 2.660 2.367 2.138 2.624 . 0 0 "[ . 1 . 2]" 1
109 1 14 THR HA 1 14 THR HB 2.592 . 3.432 2.541 2.485 2.639 . 0 0 "[ . 1 . 2]" 1
110 1 14 THR HA 1 14 THR MG 2.144 . 2.719 2.286 2.200 2.348 . 0 0 "[ . 1 . 2]" 1
111 1 14 THR HA 1 15 PRO HD2 2.809 2.142 3.476 2.646 2.281 2.763 . 0 0 "[ . 1 . 2]" 1
112 1 14 THR HA 1 15 PRO HD3 2.062 . 2.594 2.112 1.969 2.435 . 0 0 "[ . 1 . 2]" 1
113 1 14 THR HA 1 16 GLU H 3.119 . 4.335 4.123 3.993 4.250 . 0 0 "[ . 1 . 2]" 1
114 1 14 THR HB 1 14 THR MG 2.141 . 2.714 2.129 2.125 2.133 . 0 0 "[ . 1 . 2]" 1
115 1 14 THR HB 1 15 PRO HD2 3.009 2.283 3.735 2.359 2.107 2.729 0.176 17 0 "[ . 1 . 2]" 1
116 1 14 THR HB 1 15 PRO HD3 2.566 . 3.389 3.441 3.255 3.646 0.257 7 0 "[ . 1 . 2]" 1
117 1 14 THR HB 1 16 GLU H 2.723 . 3.650 2.653 2.565 2.727 . 0 0 "[ . 1 . 2]" 1
118 1 14 THR MG 1 15 PRO HD2 2.667 . 3.556 3.179 2.775 3.447 . 0 0 "[ . 1 . 2]" 1
119 1 14 THR MG 1 15 PRO HD3 2.727 . 3.656 3.528 3.208 3.721 0.065 7 0 "[ . 1 . 2]" 1
120 1 15 PRO HA 1 16 GLU H 2.535 . 3.338 3.513 3.436 3.544 0.206 20 0 "[ . 1 . 2]" 1
121 1 15 PRO QB 1 15 PRO HD2 2.949 . 4.036 3.009 2.893 3.527 . 0 0 "[ . 1 . 2]" 1
122 1 15 PRO QB 1 15 PRO HG3 2.328 . 3.005 2.214 2.159 2.228 . 0 0 "[ . 1 . 2]" 1
123 1 15 PRO HB3 1 16 GLU H 2.382 . 3.091 2.425 2.298 2.659 . 0 0 "[ . 1 . 2]" 1
124 1 15 PRO HD2 1 15 PRO HG2 2.786 . 3.756 2.302 2.295 2.307 . 0 0 "[ . 1 . 2]" 1
125 1 15 PRO HD2 1 15 PRO HG3 2.593 . 3.433 2.930 2.695 2.977 . 0 0 "[ . 1 . 2]" 1
126 1 15 PRO HD2 1 16 GLU H 2.823 . 3.819 2.914 2.849 3.007 . 0 0 "[ . 1 . 2]" 1
127 1 15 PRO HD2 1 16 GLU HG3 4.023 2.881 5.165 4.670 3.343 5.656 0.491 13 0 "[ . 1 . 2]" 1
128 1 15 PRO HD3 1 15 PRO HG2 2.587 . 3.424 2.761 2.711 2.988 . 0 0 "[ . 1 . 2]" 1
129 1 15 PRO HD3 1 15 PRO HG3 2.595 . 3.437 2.290 2.281 2.306 . 0 0 "[ . 1 . 2]" 1
130 1 15 PRO HD3 1 16 GLU H 3.110 . 4.319 4.058 4.012 4.107 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLU H 1 16 GLU HA 2.383 . 3.093 2.816 2.797 2.836 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLU H 1 16 GLU HB2 2.563 . 3.384 2.444 2.312 2.684 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLU H 1 16 GLU HB3 2.617 . 3.473 3.561 3.549 3.579 0.106 3 0 "[ . 1 . 2]" 1
134 1 16 GLU H 1 16 GLU HG2 3.111 . 4.321 2.865 2.159 3.761 . 0 0 "[ . 1 . 2]" 1
135 1 16 GLU H 1 16 GLU HG3 2.908 . 3.965 2.962 1.844 3.817 0.007 17 0 "[ . 1 . 2]" 1
136 1 16 GLU H 1 17 LYS H 2.486 . 3.258 2.731 2.643 2.913 . 0 0 "[ . 1 . 2]" 1
137 1 16 GLU H 1 18 LEU H 3.346 . 4.745 3.854 3.712 3.964 . 0 0 "[ . 1 . 2]" 1
138 1 16 GLU HA 1 16 GLU HB2 2.212 . 2.824 3.008 2.996 3.016 0.192 7 0 "[ . 1 . 2]" 1
139 1 16 GLU HA 1 16 GLU HB2 2.202 . 2.808 2.401 2.134 2.687 . 0 0 "[ . 1 . 2]" 1
140 1 16 GLU HA 1 16 GLU HB3 2.451 . 3.202 2.478 2.376 2.560 . 0 0 "[ . 1 . 2]" 1
141 1 16 GLU HA 1 16 GLU HG2 2.863 2.105 3.621 2.865 2.465 3.642 0.021 14 0 "[ . 1 . 2]" 1
142 1 16 GLU HA 1 16 GLU HG3 2.849 2.037 3.661 3.342 2.459 3.707 0.046 5 0 "[ . 1 . 2]" 1
143 1 16 GLU HA 1 17 LYS H 2.396 . 3.114 2.767 2.741 2.788 . 0 0 "[ . 1 . 2]" 1
144 1 16 GLU HB2 1 16 GLU HG2 2.883 2.112 3.654 2.690 2.367 3.007 . 0 0 "[ . 1 . 2]" 1
145 1 16 GLU HB2 1 16 GLU HG3 1.959 . 2.439 2.472 2.401 2.989 0.550 14 1 "[ . 1 +. 2]" 1
146 1 16 GLU HB2 1 17 LYS H 2.958 . 4.052 2.401 2.179 2.696 . 0 0 "[ . 1 . 2]" 1
147 1 16 GLU HB3 1 16 GLU HG2 2.822 . 3.681 2.707 2.306 3.007 . 0 0 "[ . 1 . 2]" 1
148 1 16 GLU HB3 1 17 LYS H 2.847 . 3.860 3.426 3.154 3.606 . 0 0 "[ . 1 . 2]" 1
149 1 17 LYS H 1 17 LYS HA 2.486 . 3.259 2.885 2.849 2.912 . 0 0 "[ . 1 . 2]" 1
150 1 17 LYS H 1 17 LYS HB2 2.664 . 3.551 2.485 2.345 2.579 . 0 0 "[ . 1 . 2]" 1
151 1 17 LYS H 1 17 LYS HB3 2.812 2.085 3.539 2.649 2.527 2.764 . 0 0 "[ . 1 . 2]" 1
152 1 17 LYS H 1 18 LEU H 2.359 . 3.054 2.343 2.202 2.487 . 0 0 "[ . 1 . 2]" 1
153 1 17 LYS HA 1 17 LYS HB2 2.475 . 3.241 2.551 2.485 2.633 . 0 0 "[ . 1 . 2]" 1
154 1 17 LYS HA 1 18 LEU H 2.535 . 3.338 2.608 2.600 2.614 . 0 0 "[ . 1 . 2]" 1
155 1 17 LYS HA 1 20 LYS H 2.650 . 3.528 3.217 3.074 3.362 . 0 0 "[ . 1 . 2]" 1
156 1 17 LYS HA 1 20 LYS H 2.318 . 2.990 2.654 2.601 2.709 . 0 0 "[ . 1 . 2]" 1
157 1 17 LYS HA 1 20 LYS HB2 2.468 . 3.229 2.375 2.316 2.434 . 0 0 "[ . 1 . 2]" 1
158 1 17 LYS HA 1 20 LYS HB3 2.350 . 3.041 2.405 2.136 2.697 . 0 0 "[ . 1 . 2]" 1
159 1 17 LYS HA 1 20 LYS HB2 2.395 . 3.112 3.074 2.776 3.518 0.406 13 0 "[ . 1 . 2]" 1
160 1 18 LEU H 1 18 LEU MD1 2.952 . 4.042 3.449 3.416 3.489 . 0 0 "[ . 1 . 2]" 1
161 1 18 LEU H 1 18 LEU HA 2.699 . 3.610 2.792 2.782 2.806 . 0 0 "[ . 1 . 2]" 1
162 1 18 LEU H 1 18 LEU HB2 2.866 2.166 3.566 2.454 2.426 2.482 . 0 0 "[ . 1 . 2]" 1
163 1 18 LEU H 1 18 LEU HB3 2.406 . 3.130 2.487 2.445 2.524 . 0 0 "[ . 1 . 2]" 1
164 1 18 LEU H 1 18 LEU MD1 3.694 2.787 4.601 4.066 4.046 4.087 . 0 0 "[ . 1 . 2]" 1
165 1 18 LEU H 1 18 LEU MD1 3.000 . 4.125 3.788 3.766 3.813 . 0 0 "[ . 1 . 2]" 1
166 1 18 LEU H 1 18 LEU MD2 3.658 2.775 4.541 4.190 4.171 4.207 . 0 0 "[ . 1 . 2]" 1
167 1 18 LEU HA 1 18 LEU HB2 2.674 . 3.568 2.454 2.441 2.481 . 0 0 "[ . 1 . 2]" 1
168 1 18 LEU HA 1 18 LEU HB3 2.590 . 3.429 3.016 3.014 3.020 . 0 0 "[ . 1 . 2]" 1
169 1 18 LEU HA 1 18 LEU MD1 2.116 . 2.676 2.226 2.214 2.234 . 0 0 "[ . 1 . 2]" 1
170 1 18 LEU HA 1 22 GLN H 3.266 . 4.599 4.115 3.992 4.257 . 0 0 "[ . 1 . 2]" 1
171 1 18 LEU HB2 1 18 LEU MD1 2.589 . 3.427 2.305 2.284 2.321 . 0 0 "[ . 1 . 2]" 1
172 1 18 LEU HB2 1 18 LEU MD2 2.356 . 3.050 2.386 2.356 2.417 . 0 0 "[ . 1 . 2]" 1
173 1 18 LEU HB2 1 19 ALA H 2.828 . 3.827 3.830 3.768 3.893 0.066 10 0 "[ . 1 . 2]" 1
174 1 18 LEU HB3 1 18 LEU MD2 2.181 . 2.776 2.277 2.249 2.290 . 0 0 "[ . 1 . 2]" 1
175 1 18 LEU HB3 1 19 ALA H 2.718 . 3.642 2.519 2.400 2.686 . 0 0 "[ . 1 . 2]" 1
176 1 19 ALA H 1 19 ALA HA 2.304 . 2.968 2.834 2.819 2.853 . 0 0 "[ . 1 . 2]" 1
177 1 19 ALA H 1 19 ALA MB 1.995 . 2.493 2.244 2.230 2.252 . 0 0 "[ . 1 . 2]" 1
178 1 19 ALA H 1 20 LYS H 2.361 . 3.058 2.586 2.513 2.640 . 0 0 "[ . 1 . 2]" 1
179 1 19 ALA HA 1 19 ALA MB 1.941 . 2.412 2.131 2.127 2.134 . 0 0 "[ . 1 . 2]" 1
180 1 19 ALA HA 1 20 LYS H 2.799 . 3.778 3.516 3.485 3.539 . 0 0 "[ . 1 . 2]" 1
181 1 19 ALA HA 1 22 GLN H 2.757 . 3.707 3.253 3.055 3.397 . 0 0 "[ . 1 . 2]" 1
182 1 19 ALA HA 1 22 GLN QG 2.762 . 3.716 2.903 2.424 3.228 . 0 0 "[ . 1 . 2]" 1
183 1 19 ALA MB 1 20 LYS H 2.297 . 2.956 2.637 2.526 2.752 . 0 0 "[ . 1 . 2]" 1
184 1 20 LYS H 1 20 LYS HB2 2.380 . 3.088 2.515 2.410 2.622 . 0 0 "[ . 1 . 2]" 1
185 1 20 LYS H 1 20 LYS HB3 2.359 . 3.055 2.540 2.442 2.666 . 0 0 "[ . 1 . 2]" 1
186 1 22 GLN H 1 22 GLN HA 2.513 . 3.302 2.809 2.799 2.816 . 0 0 "[ . 1 . 2]" 1
187 1 22 GLN H 1 22 GLN HB2 2.642 . 3.514 2.457 2.365 2.523 . 0 0 "[ . 1 . 2]" 1
188 1 22 GLN H 1 22 GLN HB3 2.528 . 3.327 3.578 3.562 3.592 0.265 3 0 "[ . 1 . 2]" 1
189 1 22 GLN H 1 22 GLN QG 2.338 . 3.021 2.190 2.117 2.365 . 0 0 "[ . 1 . 2]" 1
190 1 22 GLN H 1 23 ALA H 2.600 . 3.445 2.690 2.660 2.737 . 0 0 "[ . 1 . 2]" 1
191 1 22 GLN HA 1 22 GLN HB2 2.357 . 3.051 3.020 3.010 3.025 . 0 0 "[ . 1 . 2]" 1
192 1 22 GLN HA 1 22 GLN QB 2.583 . 3.417 2.385 2.365 2.413 . 0 0 "[ . 1 . 2]" 1
193 1 22 GLN HA 1 22 GLN HB3 2.527 . 3.325 2.498 2.469 2.541 . 0 0 "[ . 1 . 2]" 1
194 1 22 GLN HA 1 22 GLN QG 2.403 . 3.125 2.673 2.361 3.015 . 0 0 "[ . 1 . 2]" 1
195 1 22 GLN HA 1 23 ALA H 3.152 . 4.394 3.529 3.511 3.543 . 0 0 "[ . 1 . 2]" 1
196 1 22 GLN HA 1 25 LEU H 2.993 . 4.113 3.426 3.239 3.671 . 0 0 "[ . 1 . 2]" 1
197 1 22 GLN HA 1 25 LEU HB2 2.578 . 3.409 2.737 2.460 3.318 . 0 0 "[ . 1 . 2]" 1
198 1 22 GLN HA 1 25 LEU MD1 2.853 . 3.871 2.223 2.049 2.506 . 0 0 "[ . 1 . 2]" 1
199 1 22 GLN HB2 1 22 GLN QG 2.234 . 2.858 2.248 2.155 2.364 . 0 0 "[ . 1 . 2]" 1
200 1 22 GLN HB2 1 23 ALA H 2.987 . 4.102 2.517 2.368 2.604 . 0 0 "[ . 1 . 2]" 1
201 1 22 GLN HB3 1 22 GLN QG 2.295 . 2.953 2.327 2.303 2.362 . 0 0 "[ . 1 . 2]" 1
202 1 22 GLN HB3 1 23 ALA H 2.861 . 3.884 3.533 3.371 3.643 . 0 0 "[ . 1 . 2]" 1
203 1 22 GLN HE21 1 22 GLN QG 2.490 . 3.265 2.167 2.149 2.194 . 0 0 "[ . 1 . 2]" 1
204 1 22 GLN QG 1 23 ALA H 2.950 . 4.038 4.009 3.971 4.069 0.031 18 0 "[ . 1 . 2]" 1
205 1 23 ALA H 1 23 ALA HA 2.344 . 3.031 2.827 2.806 2.873 . 0 0 "[ . 1 . 2]" 1
206 1 23 ALA H 1 23 ALA MB 2.042 . 2.563 2.240 2.229 2.261 . 0 0 "[ . 1 . 2]" 1
207 1 23 ALA H 1 24 ASP H 2.361 . 3.058 2.604 2.419 2.698 . 0 0 "[ . 1 . 2]" 1
208 1 23 ALA HA 1 23 ALA MB 1.871 . 2.309 2.128 2.126 2.130 . 0 0 "[ . 1 . 2]" 1
209 1 23 ALA HA 1 24 ASP H 2.900 . 3.952 3.504 3.456 3.537 . 0 0 "[ . 1 . 2]" 1
210 1 23 ALA HA 1 26 ALA H 2.770 . 3.729 3.447 3.262 3.599 . 0 0 "[ . 1 . 2]" 1
211 1 23 ALA MB 1 24 ASP H 2.275 . 2.922 2.693 2.537 2.832 . 0 0 "[ . 1 . 2]" 1
212 1 24 ASP H 1 24 ASP HA 2.501 . 3.283 2.861 2.841 2.888 . 0 0 "[ . 1 . 2]" 1
213 1 24 ASP H 1 24 ASP HB2 2.580 . 3.412 2.435 2.359 2.546 . 0 0 "[ . 1 . 2]" 1
214 1 24 ASP H 1 24 ASP HB3 2.738 . 3.675 2.707 2.549 2.816 . 0 0 "[ . 1 . 2]" 1
215 1 24 ASP H 1 25 LEU H 2.661 . 3.546 2.447 2.308 2.541 . 0 0 "[ . 1 . 2]" 1
216 1 24 ASP HA 1 24 ASP HB3 2.675 . 3.570 3.013 2.997 3.025 . 0 0 "[ . 1 . 2]" 1
217 1 24 ASP HA 1 26 ALA MB 2.687 . 3.590 2.830 2.448 3.129 . 0 0 "[ . 1 . 2]" 1
218 1 24 ASP HA 1 27 LYS H 2.792 . 3.766 3.320 3.154 3.436 . 0 0 "[ . 1 . 2]" 1
219 1 24 ASP HA 1 27 LYS HB2 2.903 . 3.956 3.312 3.012 3.740 . 0 0 "[ . 1 . 2]" 1
220 1 25 LEU H 1 25 LEU HA 2.611 . 3.463 2.806 2.798 2.812 . 0 0 "[ . 1 . 2]" 1
221 1 25 LEU H 1 25 LEU HB2 2.468 . 3.229 2.405 2.319 2.454 . 0 0 "[ . 1 . 2]" 1
222 1 25 LEU H 1 25 LEU MD1 2.868 2.106 3.630 3.703 3.660 3.726 0.096 6 0 "[ . 1 . 2]" 1
223 1 25 LEU H 1 25 LEU MD2 2.686 . 3.588 3.418 3.287 3.633 0.045 18 0 "[ . 1 . 2]" 1
224 1 25 LEU H 1 26 ALA H 2.441 . 3.186 2.635 2.606 2.661 . 0 0 "[ . 1 . 2]" 1
225 1 25 LEU HA 1 25 LEU HB2 2.564 . 3.386 3.007 2.995 3.013 . 0 0 "[ . 1 . 2]" 1
226 1 25 LEU HA 1 25 LEU MD1 2.759 . 3.711 3.812 3.800 3.825 0.114 5 0 "[ . 1 . 2]" 1
227 1 25 LEU HA 1 25 LEU MD2 2.227 . 2.847 1.951 1.926 1.970 . 0 0 "[ . 1 . 2]" 1
228 1 25 LEU HB2 1 25 LEU MD1 2.136 . 2.706 2.332 2.308 2.355 . 0 0 "[ . 1 . 2]" 1
229 1 25 LEU HB2 1 25 LEU MD2 2.303 . 2.966 3.198 3.194 3.204 0.238 16 0 "[ . 1 . 2]" 1
230 1 25 LEU HB2 1 26 ALA H 2.628 . 3.491 2.870 2.799 2.963 . 0 0 "[ . 1 . 2]" 1
231 1 25 LEU HB3 1 25 LEU MD2 2.046 . 2.569 2.381 2.342 2.407 . 0 0 "[ . 1 . 2]" 1
232 1 25 LEU MD2 1 26 ALA H 3.249 . 4.569 4.687 4.651 4.719 0.150 14 0 "[ . 1 . 2]" 1
233 1 25 LEU MD2 1 29 GLN HG2 3.358 2.189 4.527 2.898 2.586 3.080 . 0 0 "[ . 1 . 2]" 1
234 1 25 LEU MD2 1 29 GLN HG3 3.316 2.102 4.530 2.553 2.334 2.885 . 0 0 "[ . 1 . 2]" 1
235 1 26 ALA H 1 26 ALA HA 2.407 . 3.131 2.807 2.792 2.819 . 0 0 "[ . 1 . 2]" 1
236 1 26 ALA H 1 26 ALA MB 2.029 . 2.544 2.235 2.219 2.245 . 0 0 "[ . 1 . 2]" 1
237 1 26 ALA H 1 27 LYS H 2.543 . 3.351 2.581 2.544 2.626 . 0 0 "[ . 1 . 2]" 1
238 1 26 ALA HA 1 26 ALA MB 1.865 . 2.300 2.129 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
239 1 26 ALA MB 1 27 LYS H 2.172 . 2.762 2.220 1.945 2.339 . 0 0 "[ . 1 . 2]" 1
240 1 26 ALA MB 1 30 LYS H 2.839 . 3.847 3.642 3.613 3.661 . 0 0 "[ . 1 . 2]" 1
241 1 27 LYS H 1 27 LYS HA 2.427 . 3.163 2.905 2.876 2.911 . 0 0 "[ . 1 . 2]" 1
242 1 27 LYS H 1 27 LYS HB2 2.875 2.170 3.580 2.510 2.438 2.661 . 0 0 "[ . 1 . 2]" 1
243 1 27 LYS H 1 27 LYS HB3 2.898 2.179 3.617 3.621 3.596 3.647 0.030 10 0 "[ . 1 . 2]" 1
244 1 27 LYS H 1 27 LYS QG 2.227 . 2.847 2.335 1.992 2.511 . 0 0 "[ . 1 . 2]" 1
245 1 27 LYS HA 1 27 LYS HB3 2.142 . 2.715 2.343 2.296 2.372 . 0 0 "[ . 1 . 2]" 1
246 1 27 LYS HA 1 27 LYS QG 1.848 . 2.275 1.944 1.913 1.999 . 0 0 "[ . 1 . 2]" 1
247 1 27 LYS HA 1 30 LYS H 2.361 . 3.058 2.746 2.724 2.763 . 0 0 "[ . 1 . 2]" 1
248 1 27 LYS HA 1 30 LYS HB2 2.408 . 3.133 2.424 2.344 2.512 . 0 0 "[ . 1 . 2]" 1
249 1 27 LYS HA 1 31 ASP H 2.939 . 4.019 3.415 3.348 3.476 . 0 0 "[ . 1 . 2]" 1
250 1 29 GLN H 1 29 GLN HA 2.552 . 3.366 2.818 2.809 2.826 . 0 0 "[ . 1 . 2]" 1
251 1 29 GLN H 1 29 GLN QB 2.459 . 3.215 2.411 2.292 2.477 . 0 0 "[ . 1 . 2]" 1
252 1 29 GLN H 1 29 GLN HG2 2.835 . 3.703 3.501 3.389 3.685 . 0 0 "[ . 1 . 2]" 1
253 1 29 GLN H 1 29 GLN HG3 2.842 . 3.852 2.268 2.125 2.529 . 0 0 "[ . 1 . 2]" 1
254 1 29 GLN H 1 30 LYS H 2.455 . 3.208 2.630 2.582 2.673 . 0 0 "[ . 1 . 2]" 1
255 1 29 GLN HA 1 29 GLN QB 2.643 . 3.516 2.383 2.361 2.430 . 0 0 "[ . 1 . 2]" 1
256 1 29 GLN HA 1 29 GLN HG2 2.848 . 3.862 2.534 2.425 2.620 . 0 0 "[ . 1 . 2]" 1
257 1 29 GLN HA 1 29 GLN HG3 2.727 . 3.657 2.995 2.882 3.085 . 0 0 "[ . 1 . 2]" 1
258 1 29 GLN HA 1 30 LYS H 3.086 . 4.276 3.475 3.439 3.515 . 0 0 "[ . 1 . 2]" 1
259 1 29 GLN HA 1 32 LEU H 3.152 . 4.394 3.322 3.218 3.521 . 0 0 "[ . 1 . 2]" 1
260 1 29 GLN HA 1 32 LEU HB2 2.960 . 4.055 2.795 2.552 3.068 . 0 0 "[ . 1 . 2]" 1
261 1 29 GLN HA 1 32 LEU HB3 2.625 . 3.486 2.039 1.881 2.331 . 0 0 "[ . 1 . 2]" 1
262 1 29 GLN HA 1 32 LEU QD 3.061 . 4.233 2.838 2.490 3.258 . 0 0 "[ . 1 . 2]" 1
263 1 29 GLN QB 1 30 LYS H 2.825 . 3.823 2.862 2.664 2.988 . 0 0 "[ . 1 . 2]" 1
264 1 29 GLN QE 1 29 GLN HG2 3.275 . 4.616 2.324 2.187 2.793 . 0 0 "[ . 1 . 2]" 1
265 1 29 GLN QE 1 29 GLN HG3 3.011 . 4.144 2.704 2.233 2.838 . 0 0 "[ . 1 . 2]" 1
266 1 29 GLN QE 1 32 LEU QD 2.774 . 3.736 4.551 3.836 5.172 1.436 12 17 "[****-***** +*** * **]" 1
267 1 30 LYS H 1 30 LYS HA 2.383 . 3.093 2.801 2.788 2.811 . 0 0 "[ . 1 . 2]" 1
268 1 30 LYS H 1 30 LYS HB2 2.851 2.160 3.542 2.484 2.332 2.611 . 0 0 "[ . 1 . 2]" 1
269 1 30 LYS H 1 30 LYS HB3 2.851 2.100 3.602 2.489 2.343 2.641 . 0 0 "[ . 1 . 2]" 1
270 1 30 LYS H 1 30 LYS QG 2.810 . 3.797 3.918 3.896 3.944 0.147 14 0 "[ . 1 . 2]" 1
271 1 30 LYS H 1 31 ASP H 2.423 . 3.157 2.791 2.694 2.920 . 0 0 "[ . 1 . 2]" 1
272 1 30 LYS HB2 1 31 ASP H 2.664 . 3.551 3.655 3.542 3.770 0.219 14 0 "[ . 1 . 2]" 1
273 1 30 LYS HB3 1 31 ASP H 2.881 . 3.918 2.225 2.050 2.340 . 0 0 "[ . 1 . 2]" 1
274 1 30 LYS QG 1 31 ASP H 2.921 . 3.987 3.226 2.967 3.524 . 0 0 "[ . 1 . 2]" 1
275 1 31 ASP H 1 31 ASP HA 2.518 . 3.311 2.837 2.825 2.847 . 0 0 "[ . 1 . 2]" 1
276 1 31 ASP H 1 31 ASP HB2 2.807 . 3.792 2.466 2.357 2.595 . 0 0 "[ . 1 . 2]" 1
277 1 31 ASP H 1 31 ASP HB3 2.587 . 3.424 2.621 2.542 2.742 . 0 0 "[ . 1 . 2]" 1
278 1 31 ASP H 1 32 LEU H 2.733 . 3.667 2.539 2.492 2.580 . 0 0 "[ . 1 . 2]" 1
279 1 31 ASP HA 1 34 ASP QB 2.468 . 3.230 2.785 2.333 3.318 0.088 3 0 "[ . 1 . 2]" 1
280 1 31 ASP HB2 1 32 LEU H 3.204 . 4.487 3.888 3.747 4.024 . 0 0 "[ . 1 . 2]" 1
281 1 31 ASP HB3 1 32 LEU H 2.987 . 4.102 2.781 2.658 2.918 . 0 0 "[ . 1 . 2]" 1
282 1 32 LEU H 1 32 LEU HA 2.654 . 3.535 2.799 2.790 2.807 . 0 0 "[ . 1 . 2]" 1
283 1 32 LEU H 1 32 LEU HB2 2.531 . 3.332 2.384 2.333 2.429 . 0 0 "[ . 1 . 2]" 1
284 1 32 LEU H 1 32 LEU HB3 2.444 . 3.191 2.570 2.527 2.607 . 0 0 "[ . 1 . 2]" 1
285 1 32 LEU H 1 32 LEU QD 2.907 . 3.936 3.659 3.637 3.678 . 0 0 "[ . 1 . 2]" 1
286 1 32 LEU H 1 33 ALA H 2.517 . 3.309 2.675 2.625 2.746 . 0 0 "[ . 1 . 2]" 1
287 1 32 LEU HB3 1 32 LEU QD 2.414 . 3.142 2.196 2.164 2.219 . 0 0 "[ . 1 . 2]" 1
288 1 33 ALA H 1 33 ALA HA 2.339 . 3.023 2.818 2.805 2.829 . 0 0 "[ . 1 . 2]" 1
289 1 33 ALA H 1 33 ALA MB 1.979 . 2.469 2.238 2.232 2.248 . 0 0 "[ . 1 . 2]" 1
290 1 33 ALA H 1 34 ASP H 2.440 . 3.184 2.621 2.570 2.691 . 0 0 "[ . 1 . 2]" 1
291 1 33 ALA HA 1 34 ASP H 2.731 . 3.663 3.503 3.480 3.529 . 0 0 "[ . 1 . 2]" 1
292 1 33 ALA MB 1 34 ASP H 2.346 . 3.034 2.680 2.498 2.777 . 0 0 "[ . 1 . 2]" 1
293 1 34 ASP H 1 34 ASP HA 2.436 . 3.178 2.869 2.818 2.907 . 0 0 "[ . 1 . 2]" 1
294 1 34 ASP H 1 34 ASP QB 2.297 . 2.957 2.272 2.217 2.318 . 0 0 "[ . 1 . 2]" 1
295 1 34 ASP HA 1 34 ASP QB 2.264 . 2.905 2.356 2.306 2.403 . 0 0 "[ . 1 . 2]" 1
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