NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
616432 |
5lo4   |
34033 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lo4
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 247
_Distance_constraint_stats_list.Viol_total 1391.410
_Distance_constraint_stats_list.Viol_max 1.529
_Distance_constraint_stats_list.Viol_rms 0.0797
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.2817
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 PRO 0.155 0.111 20 0 "[ . 1 . 2]"
1 4 THR 17.036 0.912 3 18 "[**+** **-*** *******]"
1 5 LYS 26.585 1.529 18 20 [********-********+**]
1 6 PRO 12.990 1.529 18 11 "[ ***** 1 ** *- + *]"
1 7 THR 14.628 0.634 10 20 [-********+**********]
1 8 LYS 2.118 0.347 14 0 "[ . 1 . 2]"
1 9 PRO 0.294 0.212 10 0 "[ . 1 . 2]"
1 10 GLY 0.728 0.046 12 0 "[ . 1 . 2]"
1 11 ASP 1.129 0.065 9 0 "[ . 1 . 2]"
1 12 ASN 0.519 0.477 19 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.286 0.212 10 0 "[ . 1 . 2]"
1 15 PRO 2.243 1.328 1 1 "[+ . 1 . 2]"
1 16 GLU 2.284 1.328 1 1 "[+ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.154 0.032 3 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 1.289 0.117 14 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 0.253 0.253 14 0 "[ . 1 . 2]"
1 25 LEU 0.660 0.318 11 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 4.589 0.458 2 0 "[ . 1 . 2]"
1 29 GLN 0.264 0.077 19 0 "[ . 1 . 2]"
1 30 LYS 0.816 0.143 7 0 "[ . 1 . 2]"
1 31 ASP 4.777 0.546 14 1 "[ . 1 +. 2]"
1 32 LEU 9.605 0.509 15 3 "[* - . 1 + 2]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 3.961 0.546 14 1 "[ . 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 2.427 . 3.163 2.887 2.764 2.980 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 3 PRO HD2 2.432 . 3.171 2.231 2.059 2.684 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO HA 1 3 PRO HD3 2.374 . 3.078 2.222 1.867 2.381 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO HB2 1 3 PRO HD2 4.217 . 6.440 3.844 3.433 4.429 . 0 0 "[ . 1 . 2]" 1
5 1 2 PRO HB2 1 3 PRO HD3 3.615 . 5.249 4.415 4.040 4.577 . 0 0 "[ . 1 . 2]" 1
6 1 2 PRO HD3 1 2 PRO HG3 2.648 . 3.525 2.311 2.298 2.325 . 0 0 "[ . 1 . 2]" 1
7 1 3 PRO HA 1 3 PRO HB3 2.554 . 3.369 2.305 2.279 2.324 . 0 0 "[ . 1 . 2]" 1
8 1 3 PRO HA 1 4 THR H 2.188 . 2.786 2.179 2.153 2.235 . 0 0 "[ . 1 . 2]" 1
9 1 3 PRO HB2 1 4 THR H 3.580 . 5.182 3.792 3.211 4.166 . 0 0 "[ . 1 . 2]" 1
10 1 3 PRO HB3 1 4 THR H 4.179 . 6.362 3.999 3.310 4.357 . 0 0 "[ . 1 . 2]" 1
11 1 3 PRO HD2 1 3 PRO HG3 2.579 . 3.410 2.820 2.717 2.987 . 0 0 "[ . 1 . 2]" 1
12 1 3 PRO HD3 1 3 PRO HG2 2.481 . 3.251 2.884 2.702 2.986 . 0 0 "[ . 1 . 2]" 1
13 1 3 PRO HD3 1 3 PRO HG3 2.965 . 4.064 2.290 2.263 2.301 . 0 0 "[ . 1 . 2]" 1
14 1 3 PRO HG2 1 32 LEU HA 3.499 . 5.029 2.887 1.858 3.812 0.111 20 0 "[ . 1 . 2]" 1
15 1 3 PRO HG3 1 32 LEU HA 3.057 . 4.225 3.015 2.535 3.518 . 0 0 "[ . 1 . 2]" 1
16 1 4 THR H 1 4 THR HA 2.805 2.198 3.412 2.893 2.842 2.932 . 0 0 "[ . 1 . 2]" 1
17 1 4 THR H 1 4 THR HB 2.595 . 3.437 3.583 3.507 3.624 0.187 18 0 "[ . 1 . 2]" 1
18 1 4 THR H 1 4 THR MG 3.556 . 5.137 2.750 2.475 2.922 . 0 0 "[ . 1 . 2]" 1
19 1 4 THR HA 1 4 THR HB 2.724 . 3.651 2.572 2.505 2.635 . 0 0 "[ . 1 . 2]" 1
20 1 4 THR HA 1 4 THR MG 2.159 . 2.742 2.245 2.209 2.292 . 0 0 "[ . 1 . 2]" 1
21 1 4 THR HA 1 5 LYS H 2.075 . 2.613 2.171 2.125 2.277 . 0 0 "[ . 1 . 2]" 1
22 1 4 THR HB 1 4 THR MG 1.980 . 2.470 2.132 2.130 2.134 . 0 0 "[ . 1 . 2]" 1
23 1 4 THR HB 1 6 PRO HA 4.048 . 6.096 4.251 4.118 4.348 . 0 0 "[ . 1 . 2]" 1
24 1 4 THR MG 1 5 LYS H 2.325 . 3.000 3.706 3.378 3.912 0.912 3 18 "[**+** **-*** *******]" 1
25 1 5 LYS H 1 5 LYS HA 2.996 . 4.118 2.866 2.818 2.921 . 0 0 "[ . 1 . 2]" 1
26 1 5 LYS H 1 5 LYS HB3 2.594 . 3.435 2.602 2.480 2.930 . 0 0 "[ . 1 . 2]" 1
27 1 5 LYS H 1 5 LYS QG 4.572 . 7.185 2.199 1.898 2.358 0.061 18 0 "[ . 1 . 2]" 1
28 1 5 LYS HA 1 5 LYS HB2 2.922 . 3.990 2.415 2.373 2.544 . 0 0 "[ . 1 . 2]" 1
29 1 5 LYS HA 1 5 LYS QG 3.209 . 4.496 2.557 2.298 3.039 . 0 0 "[ . 1 . 2]" 1
30 1 5 LYS HA 1 5 LYS QG 3.068 . 4.227 3.344 3.323 3.468 . 0 0 "[ . 1 . 2]" 1
31 1 5 LYS HA 1 6 PRO QD 2.499 . 3.280 2.013 1.929 2.117 . 0 0 "[ . 1 . 2]" 1
32 1 5 LYS HA 1 6 PRO QG 3.519 . 5.067 3.615 3.551 3.686 . 0 0 "[ . 1 . 2]" 1
33 1 5 LYS HA 1 25 LEU H 5.024 3.099 6.949 6.761 6.522 6.984 0.035 10 0 "[ . 1 . 2]" 1
34 1 5 LYS HB3 1 5 LYS QG 2.196 . 2.799 2.322 2.157 2.379 . 0 0 "[ . 1 . 2]" 1
35 1 5 LYS QG 1 6 PRO QD 2.838 . 3.845 3.764 3.522 4.309 0.464 18 0 "[ . 1 . 2]" 1
36 1 5 LYS QG 1 6 PRO QG 3.311 2.323 4.299 4.872 4.448 5.828 1.529 18 11 "[ ***** 1 ** *- + *]" 1
37 1 6 PRO HA 1 6 PRO HB3 2.717 . 3.640 2.315 2.289 2.335 . 0 0 "[ . 1 . 2]" 1
38 1 6 PRO HA 1 7 THR H 2.082 . 2.624 2.323 2.246 2.423 . 0 0 "[ . 1 . 2]" 1
39 1 6 PRO HB3 1 7 THR H 3.168 . 4.423 3.612 3.466 3.777 . 0 0 "[ . 1 . 2]" 1
40 1 6 PRO QD 1 6 PRO QG 2.176 . 2.768 1.958 1.942 1.968 . 0 0 "[ . 1 . 2]" 1
41 1 6 PRO QD 1 25 LEU QD 2.681 . 3.580 2.729 2.489 2.985 . 0 0 "[ . 1 . 2]" 1
42 1 6 PRO QG 1 25 LEU HA 3.170 . 4.426 2.751 2.548 2.928 . 0 0 "[ . 1 . 2]" 1
43 1 6 PRO QG 1 25 LEU MD1 2.175 . 2.766 2.276 2.043 3.084 0.318 11 0 "[ . 1 . 2]" 1
44 1 7 THR H 1 7 THR HA 2.768 . 3.726 2.904 2.840 2.944 . 0 0 "[ . 1 . 2]" 1
45 1 7 THR H 1 7 THR HB 2.866 2.106 3.626 2.758 2.631 3.068 . 0 0 "[ . 1 . 2]" 1
46 1 7 THR H 1 7 THR MG 2.915 . 3.977 2.067 1.956 2.197 . 0 0 "[ . 1 . 2]" 1
47 1 7 THR HA 1 7 THR HB 2.304 . 2.968 2.475 2.417 2.529 . 0 0 "[ . 1 . 2]" 1
48 1 7 THR HA 1 7 THR MG 2.058 . 2.587 3.213 3.205 3.221 0.634 10 20 [-********+**********] 1
49 1 7 THR HA 1 8 LYS H 2.026 . 2.539 2.254 2.145 2.341 . 0 0 "[ . 1 . 2]" 1
50 1 7 THR HB 1 7 THR MG 1.951 . 2.427 2.130 2.128 2.133 . 0 0 "[ . 1 . 2]" 1
51 1 7 THR HB 1 8 LYS H 3.012 . 4.146 3.972 3.880 4.144 . 0 0 "[ . 1 . 2]" 1
52 1 7 THR MG 1 8 LYS H 2.812 2.085 3.539 3.590 3.233 3.886 0.347 14 0 "[ . 1 . 2]" 1
53 1 8 LYS H 1 8 LYS HA 2.832 . 3.835 2.828 2.776 2.882 . 0 0 "[ . 1 . 2]" 1
54 1 8 LYS H 1 8 LYS HD2 3.729 . 5.467 4.044 2.346 4.684 . 0 0 "[ . 1 . 2]" 1
55 1 8 LYS H 1 8 LYS HD3 3.243 . 4.558 3.647 2.537 4.234 . 0 0 "[ . 1 . 2]" 1
56 1 8 LYS HA 1 8 LYS HD2 4.751 . 7.572 2.657 2.142 3.051 . 0 0 "[ . 1 . 2]" 1
57 1 8 LYS HA 1 8 LYS HD3 3.393 . 4.832 2.810 2.008 3.935 . 0 0 "[ . 1 . 2]" 1
58 1 8 LYS HA 1 8 LYS QG 2.942 . 4.024 2.931 2.440 3.112 . 0 0 "[ . 1 . 2]" 1
59 1 8 LYS HA 1 9 PRO HD2 2.469 . 3.231 2.515 2.407 2.848 . 0 0 "[ . 1 . 2]" 1
60 1 8 LYS HA 1 9 PRO HD3 2.263 . 2.903 1.945 1.828 2.008 . 0 0 "[ . 1 . 2]" 1
61 1 8 LYS HD2 1 8 LYS QG 2.356 . 3.050 2.366 2.314 2.406 . 0 0 "[ . 1 . 2]" 1
62 1 8 LYS HD3 1 8 LYS QG 2.518 . 3.311 2.267 2.171 2.358 . 0 0 "[ . 1 . 2]" 1
63 1 8 LYS QE 1 8 LYS QG 3.188 . 4.459 2.481 2.131 2.882 . 0 0 "[ . 1 . 2]" 1
64 1 9 PRO HA 1 9 PRO HB3 2.363 . 3.061 2.290 2.263 2.307 . 0 0 "[ . 1 . 2]" 1
65 1 9 PRO HA 1 9 PRO HG2 3.299 . 4.659 3.987 3.929 4.059 . 0 0 "[ . 1 . 2]" 1
66 1 9 PRO HA 1 9 PRO QG 3.480 . 4.994 3.016 2.906 3.189 . 0 0 "[ . 1 . 2]" 1
67 1 9 PRO HA 1 9 PRO HG3 3.807 . 5.618 3.123 2.994 3.335 . 0 0 "[ . 1 . 2]" 1
68 1 9 PRO HA 1 10 GLY H 2.212 . 2.824 2.160 2.123 2.245 . 0 0 "[ . 1 . 2]" 1
69 1 9 PRO HA 1 10 GLY HA3 3.988 . 5.976 3.897 3.878 3.973 . 0 0 "[ . 1 . 2]" 1
70 1 9 PRO HA 1 12 ASN H 3.480 . 4.993 3.259 3.144 3.356 . 0 0 "[ . 1 . 2]" 1
71 1 9 PRO HA 1 13 ALA MB 3.319 . 4.696 3.573 3.242 3.668 . 0 0 "[ . 1 . 2]" 1
72 1 9 PRO HB2 1 9 PRO HD2 2.825 2.150 3.500 2.975 2.941 3.049 . 0 0 "[ . 1 . 2]" 1
73 1 9 PRO HB2 1 13 ALA MB 2.301 . 2.963 2.065 1.983 2.186 . 0 0 "[ . 1 . 2]" 1
74 1 9 PRO HB2 1 14 THR H 3.825 2.358 5.292 5.077 4.756 5.504 0.212 10 0 "[ . 1 . 2]" 1
75 1 9 PRO HB3 1 10 GLY H 3.560 . 5.144 3.720 3.514 4.249 . 0 0 "[ . 1 . 2]" 1
76 1 9 PRO HB3 1 13 ALA MB 3.303 . 4.667 3.235 2.923 3.451 . 0 0 "[ . 1 . 2]" 1
77 1 9 PRO HD2 1 9 PRO HG2 2.872 . 3.903 2.324 2.311 2.335 . 0 0 "[ . 1 . 2]" 1
78 1 9 PRO HD2 1 9 PRO QG 2.621 . 3.480 2.248 2.237 2.258 . 0 0 "[ . 1 . 2]" 1
79 1 9 PRO HD2 1 18 LEU MD1 3.543 . 5.112 3.449 3.163 4.234 . 0 0 "[ . 1 . 2]" 1
80 1 9 PRO HD3 1 18 LEU MD1 3.952 . 5.905 4.302 4.071 4.680 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLY H 1 10 GLY HA2 2.651 . 3.530 2.938 2.932 2.945 . 0 0 "[ . 1 . 2]" 1
82 1 10 GLY H 1 10 GLY HA3 2.743 . 3.684 2.392 2.382 2.399 . 0 0 "[ . 1 . 2]" 1
83 1 10 GLY H 1 13 ALA MB 3.082 . 4.270 3.845 3.719 3.972 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLY HA2 1 11 ASP H 2.637 . 3.506 3.542 3.529 3.552 0.046 12 0 "[ . 1 . 2]" 1
85 1 10 GLY HA3 1 11 ASP H 3.199 . 4.479 2.435 2.398 2.524 . 0 0 "[ . 1 . 2]" 1
86 1 11 ASP H 1 11 ASP HB2 3.180 . 4.444 2.820 2.379 3.674 . 0 0 "[ . 1 . 2]" 1
87 1 11 ASP H 1 11 ASP HB3 2.691 . 3.596 3.021 2.380 3.661 0.065 9 0 "[ . 1 . 2]" 1
88 1 11 ASP HA 1 11 ASP HB2 2.545 . 3.355 2.692 2.378 3.029 . 0 0 "[ . 1 . 2]" 1
89 1 11 ASP HA 1 11 ASP HB2 2.283 . 2.934 2.585 2.340 2.915 . 0 0 "[ . 1 . 2]" 1
90 1 12 ASN H 1 12 ASN HA 2.747 . 3.691 2.890 2.848 2.916 . 0 0 "[ . 1 . 2]" 1
91 1 12 ASN H 1 12 ASN HB3 2.846 . 3.859 2.742 2.577 2.838 . 0 0 "[ . 1 . 2]" 1
92 1 12 ASN H 1 13 ALA H 3.003 . 4.130 2.621 2.516 2.783 . 0 0 "[ . 1 . 2]" 1
93 1 12 ASN HA 1 12 ASN QB 2.255 . 2.891 2.184 2.178 2.188 . 0 0 "[ . 1 . 2]" 1
94 1 12 ASN HA 1 13 ALA H 2.785 . 3.754 3.123 3.102 3.150 . 0 0 "[ . 1 . 2]" 1
95 1 12 ASN QB 1 12 ASN HD21 3.396 . 4.838 2.168 2.138 2.206 . 0 0 "[ . 1 . 2]" 1
96 1 12 ASN QB 1 13 ALA H 3.553 . 5.131 3.948 3.934 3.970 . 0 0 "[ . 1 . 2]" 1
97 1 12 ASN HB2 1 19 ALA MB 3.851 2.530 5.172 4.494 4.099 4.874 . 0 0 "[ . 1 . 2]" 1
98 1 12 ASN HB2 1 12 ASN HD22 2.814 2.085 3.543 3.504 3.463 4.020 0.477 19 0 "[ . 1 . 2]" 1
99 1 13 ALA H 1 13 ALA HA 2.659 . 3.543 2.863 2.840 2.885 . 0 0 "[ . 1 . 2]" 1
100 1 13 ALA H 1 13 ALA MB 2.002 . 2.503 2.246 2.224 2.279 . 0 0 "[ . 1 . 2]" 1
101 1 13 ALA H 1 18 LEU MD1 3.813 . 5.630 5.050 4.791 5.243 . 0 0 "[ . 1 . 2]" 1
102 1 13 ALA HA 1 13 ALA MB 1.910 . 2.366 2.124 2.117 2.127 . 0 0 "[ . 1 . 2]" 1
103 1 13 ALA HA 1 14 THR H 2.833 2.210 3.456 3.005 2.972 3.186 . 0 0 "[ . 1 . 2]" 1
104 1 13 ALA MB 1 14 THR H 2.883 2.049 3.717 3.557 3.381 3.595 . 0 0 "[ . 1 . 2]" 1
105 1 14 THR H 1 14 THR HA 2.681 . 3.580 2.806 2.768 2.851 . 0 0 "[ . 1 . 2]" 1
106 1 14 THR H 1 14 THR HB 3.645 . 5.306 3.567 3.505 3.602 . 0 0 "[ . 1 . 2]" 1
107 1 14 THR H 1 14 THR MG 2.076 . 2.615 2.414 2.236 2.636 0.021 5 0 "[ . 1 . 2]" 1
108 1 14 THR H 1 17 LYS HB2 5.068 4.000 6.136 4.832 4.491 5.327 . 0 0 "[ . 1 . 2]" 1
109 1 14 THR HA 1 14 THR HB 2.681 . 3.579 2.552 2.499 2.631 . 0 0 "[ . 1 . 2]" 1
110 1 14 THR HA 1 14 THR MG 2.033 . 2.550 2.254 2.185 2.309 . 0 0 "[ . 1 . 2]" 1
111 1 14 THR HA 1 15 PRO QD 2.047 . 2.571 1.987 1.944 2.025 . 0 0 "[ . 1 . 2]" 1
112 1 14 THR HB 1 14 THR MG 2.030 . 2.545 2.131 2.128 2.133 . 0 0 "[ . 1 . 2]" 1
113 1 14 THR HB 1 16 GLU H 2.948 . 4.035 2.898 2.580 3.276 . 0 0 "[ . 1 . 2]" 1
114 1 14 THR HB 1 17 LYS H 3.993 . 5.987 3.540 3.382 3.689 . 0 0 "[ . 1 . 2]" 1
115 1 14 THR HB 1 15 PRO QD 2.940 . 3.270 2.545 2.383 2.718 . 0 0 "[ . 1 . 2]" 1
116 1 14 THR MG 1 15 PRO QD 3.343 . 4.740 2.947 2.703 3.157 . 0 0 "[ . 1 . 2]" 1
117 1 15 PRO HA 1 16 GLU H 2.701 . 3.613 3.557 3.481 3.596 . 0 0 "[ . 1 . 2]" 1
118 1 15 PRO QB 1 15 PRO QD 3.743 . 4.742 2.863 2.829 2.918 . 0 0 "[ . 1 . 2]" 1
119 1 15 PRO HB2 1 16 GLU HA 2.569 . 3.394 2.450 2.287 2.705 . 0 0 "[ . 1 . 2]" 1
120 1 15 PRO QD 1 15 PRO HG2 2.700 . 3.612 2.189 2.185 2.191 . 0 0 "[ . 1 . 2]" 1
121 1 15 PRO QD 1 16 GLU H 2.798 . 3.777 2.638 2.553 2.696 . 0 0 "[ . 1 . 2]" 1
122 1 15 PRO QD 1 16 GLU QG 4.304 2.181 4.467 4.391 3.607 5.795 1.328 1 1 "[+ . 1 . 2]" 1
123 1 16 GLU H 1 16 GLU HA 2.622 . 3.481 2.837 2.800 2.867 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLU H 1 16 GLU HB2 2.472 . 3.236 2.426 2.308 2.519 . 0 0 "[ . 1 . 2]" 1
125 1 16 GLU H 1 16 GLU HB3 3.281 . 4.626 3.586 3.563 3.615 . 0 0 "[ . 1 . 2]" 1
126 1 16 GLU H 1 16 GLU QG 3.210 . 4.498 2.358 2.050 3.447 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLU H 1 17 LYS H 2.706 . 3.621 2.651 2.538 2.797 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLU H 1 19 ALA MB 3.616 . 5.251 4.082 3.997 4.181 . 0 0 "[ . 1 . 2]" 1
129 1 16 GLU HA 1 16 GLU HB3 2.608 . 3.458 2.506 2.440 2.592 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLU HA 1 16 GLU QG 2.898 . 3.808 2.410 2.336 2.518 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLU HA 1 17 LYS H 2.605 . 3.454 2.762 2.736 2.787 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLU HA 1 19 ALA MB 3.061 2.304 3.818 3.027 2.605 3.363 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLU HB2 1 16 GLU QG . . 2.558 2.348 2.294 2.401 . 0 0 "[ . 1 . 2]" 1
134 1 16 GLU HB2 1 17 LYS H 2.880 . 3.916 2.591 2.362 2.883 . 0 0 "[ . 1 . 2]" 1
135 1 16 GLU HB3 1 17 LYS H 3.510 . 5.050 3.542 3.337 3.736 . 0 0 "[ . 1 . 2]" 1
136 1 17 LYS H 1 17 LYS HA 2.623 . 3.483 2.883 2.854 2.910 . 0 0 "[ . 1 . 2]" 1
137 1 17 LYS H 1 17 LYS HB2 3.429 . 4.899 2.649 2.509 2.747 . 0 0 "[ . 1 . 2]" 1
138 1 17 LYS H 1 17 LYS HB3 2.473 . 3.237 2.517 2.399 2.632 . 0 0 "[ . 1 . 2]" 1
139 1 17 LYS H 1 18 LEU H 2.504 . 3.288 2.324 2.188 2.431 . 0 0 "[ . 1 . 2]" 1
140 1 17 LYS HA 1 17 LYS HB2 2.476 . 3.242 2.477 2.414 2.530 . 0 0 "[ . 1 . 2]" 1
141 1 17 LYS HA 1 18 LEU H 2.809 . 3.795 2.700 2.685 2.712 . 0 0 "[ . 1 . 2]" 1
142 1 17 LYS HA 1 19 ALA H 2.769 . 3.727 3.295 3.221 3.350 . 0 0 "[ . 1 . 2]" 1
143 1 17 LYS HA 1 20 LYS H 2.681 . 3.580 2.613 2.477 2.696 . 0 0 "[ . 1 . 2]" 1
144 1 17 LYS HB3 1 18 LEU H 3.061 . 4.232 2.926 2.791 3.185 . 0 0 "[ . 1 . 2]" 1
145 1 18 LEU H 1 18 LEU HA 2.671 . 3.563 2.818 2.798 2.830 . 0 0 "[ . 1 . 2]" 1
146 1 18 LEU H 1 18 LEU HB2 2.872 2.227 3.517 2.431 2.335 2.488 . 0 0 "[ . 1 . 2]" 1
147 1 18 LEU H 1 18 LEU HB3 2.690 . 3.594 2.551 2.484 2.668 . 0 0 "[ . 1 . 2]" 1
148 1 18 LEU H 1 18 LEU MD1 3.234 . 4.541 4.008 3.896 4.064 . 0 0 "[ . 1 . 2]" 1
149 1 18 LEU H 1 18 LEU MD2 3.459 . 4.954 4.202 4.180 4.221 . 0 0 "[ . 1 . 2]" 1
150 1 18 LEU H 1 19 ALA MB 3.432 . 4.905 4.231 4.161 4.314 . 0 0 "[ . 1 . 2]" 1
151 1 18 LEU HA 1 18 LEU HB2 2.380 . 3.088 2.492 2.470 2.544 . 0 0 "[ . 1 . 2]" 1
152 1 18 LEU HA 1 18 LEU HB3 2.901 . 3.953 3.015 3.006 3.022 . 0 0 "[ . 1 . 2]" 1
153 1 18 LEU HA 1 18 LEU MD1 2.083 . 2.625 2.022 1.986 2.069 . 0 0 "[ . 1 . 2]" 1
154 1 18 LEU HA 1 18 LEU MD2 3.094 . 4.291 3.840 3.822 3.865 . 0 0 "[ . 1 . 2]" 1
155 1 18 LEU HA 1 19 ALA H 2.938 . 4.017 3.494 3.472 3.515 . 0 0 "[ . 1 . 2]" 1
156 1 18 LEU HB2 1 18 LEU MD1 2.217 . 2.676 2.365 2.302 2.386 . 0 0 "[ . 1 . 2]" 1
157 1 18 LEU HB2 1 18 LEU MD2 2.878 2.338 3.418 2.335 2.306 2.388 0.032 3 0 "[ . 1 . 2]" 1
158 1 18 LEU HB2 1 19 ALA H 3.424 . 4.890 3.848 3.807 3.913 . 0 0 "[ . 1 . 2]" 1
159 1 18 LEU HB3 1 18 LEU MD1 3.022 . 4.163 3.192 3.187 3.196 . 0 0 "[ . 1 . 2]" 1
160 1 18 LEU HB3 1 18 LEU MD2 2.860 2.221 3.499 2.313 2.280 2.332 . 0 0 "[ . 1 . 2]" 1
161 1 18 LEU HB3 1 19 ALA H 2.803 . 3.785 2.681 2.598 2.789 . 0 0 "[ . 1 . 2]" 1
162 1 18 LEU HB3 1 19 ALA HA 3.327 2.256 4.398 4.272 4.193 4.326 . 0 0 "[ . 1 . 2]" 1
163 1 19 ALA H 1 19 ALA HA 2.510 . 3.297 2.828 2.803 2.842 . 0 0 "[ . 1 . 2]" 1
164 1 19 ALA H 1 19 ALA MB 2.055 . 2.583 2.222 2.210 2.231 . 0 0 "[ . 1 . 2]" 1
165 1 19 ALA H 1 20 LYS H 2.520 . 3.314 2.599 2.517 2.684 . 0 0 "[ . 1 . 2]" 1
166 1 19 ALA HA 1 19 ALA MB 1.861 . 2.294 2.128 2.125 2.132 . 0 0 "[ . 1 . 2]" 1
167 1 19 ALA HA 1 20 LYS H 3.111 . 4.321 3.039 2.984 3.115 . 0 0 "[ . 1 . 2]" 1
168 1 19 ALA HA 1 22 GLN H 3.028 . 4.174 3.313 3.220 3.460 . 0 0 "[ . 1 . 2]" 1
169 1 19 ALA HA 1 22 GLN HB2 2.922 . 3.989 2.852 2.567 3.101 . 0 0 "[ . 1 . 2]" 1
170 1 19 ALA HA 1 22 GLN HG2 2.921 . 3.988 3.258 2.768 3.675 . 0 0 "[ . 1 . 2]" 1
171 1 19 ALA MB 1 20 LYS H 2.504 . 3.288 2.443 2.340 2.538 . 0 0 "[ . 1 . 2]" 1
172 1 20 LYS H 1 20 LYS HA 2.557 . 3.374 2.814 2.786 2.843 . 0 0 "[ . 1 . 2]" 1
173 1 20 LYS H 1 20 LYS HB2 2.789 . 3.762 2.536 2.445 2.634 . 0 0 "[ . 1 . 2]" 1
174 1 20 LYS H 1 20 LYS HB3 3.018 2.287 3.749 2.526 2.421 2.619 . 0 0 "[ . 1 . 2]" 1
175 1 20 LYS H 1 20 LYS QG 3.088 2.251 3.925 3.989 3.955 4.042 0.117 14 0 "[ . 1 . 2]" 1
176 1 20 LYS HA 1 20 LYS HB2 2.492 . 3.268 2.464 2.410 2.516 . 0 0 "[ . 1 . 2]" 1
177 1 20 LYS HA 1 20 LYS HB3 2.547 . 3.358 3.026 3.023 3.029 . 0 0 "[ . 1 . 2]" 1
178 1 20 LYS QG 1 24 ASP H 3.613 . 5.245 3.821 3.603 4.162 . 0 0 "[ . 1 . 2]" 1
179 1 22 GLN H 1 22 GLN HA 2.699 . 3.609 2.799 2.787 2.812 . 0 0 "[ . 1 . 2]" 1
180 1 22 GLN H 1 22 GLN HB2 2.542 . 3.350 2.449 2.399 2.543 . 0 0 "[ . 1 . 2]" 1
181 1 22 GLN H 1 22 GLN HG2 2.309 . 2.976 2.279 2.132 2.360 . 0 0 "[ . 1 . 2]" 1
182 1 22 GLN H 1 23 ALA MB 3.154 . 4.397 4.078 4.011 4.166 . 0 0 "[ . 1 . 2]" 1
183 1 22 GLN HA 1 22 GLN HB2 2.666 . 3.554 3.018 3.011 3.023 . 0 0 "[ . 1 . 2]" 1
184 1 22 GLN HA 1 22 GLN HG2 2.655 . 3.536 2.947 2.872 3.124 . 0 0 "[ . 1 . 2]" 1
185 1 22 GLN HA 1 23 ALA H 3.395 . 4.836 3.502 3.466 3.523 . 0 0 "[ . 1 . 2]" 1
186 1 22 GLN HA 1 25 LEU H 3.428 . 4.897 3.316 3.156 3.504 . 0 0 "[ . 1 . 2]" 1
187 1 22 GLN HA 1 25 LEU HB2 2.621 . 3.480 2.426 2.204 2.800 . 0 0 "[ . 1 . 2]" 1
188 1 22 GLN HA 1 25 LEU HB3 3.928 . 5.856 3.998 3.795 4.382 . 0 0 "[ . 1 . 2]" 1
189 1 22 GLN HA 1 25 LEU QD 2.915 . 3.977 2.972 2.456 3.623 . 0 0 "[ . 1 . 2]" 1
190 1 22 GLN QB 1 22 GLN HG2 2.468 . 3.229 2.360 2.314 2.380 . 0 0 "[ . 1 . 2]" 1
191 1 22 GLN QB 1 22 GLN HG3 2.969 . 4.071 2.160 2.156 2.164 . 0 0 "[ . 1 . 2]" 1
192 1 22 GLN QB 1 23 ALA H 3.039 . 4.193 2.729 2.647 2.886 . 0 0 "[ . 1 . 2]" 1
193 1 22 GLN HB2 1 22 GLN HG2 2.308 . 2.974 2.467 2.406 2.494 . 0 0 "[ . 1 . 2]" 1
194 1 22 GLN HB2 1 23 ALA H 3.205 . 4.489 2.807 2.715 2.975 . 0 0 "[ . 1 . 2]" 1
195 1 22 GLN HE21 1 22 GLN HG2 2.579 . 3.410 2.263 2.210 2.283 . 0 0 "[ . 1 . 2]" 1
196 1 23 ALA H 1 23 ALA MB 2.024 . 2.536 2.224 2.210 2.237 . 0 0 "[ . 1 . 2]" 1
197 1 23 ALA H 1 24 ASP H 2.538 . 3.343 2.559 2.418 2.668 . 0 0 "[ . 1 . 2]" 1
198 1 23 ALA HA 1 23 ALA MB 1.869 . 2.306 2.127 2.122 2.130 . 0 0 "[ . 1 . 2]" 1
199 1 23 ALA HA 1 24 ASP H 3.251 . 4.572 3.518 3.486 3.546 . 0 0 "[ . 1 . 2]" 1
200 1 23 ALA HA 1 26 ALA H 3.060 . 4.230 3.328 3.162 3.509 . 0 0 "[ . 1 . 2]" 1
201 1 23 ALA MB 1 24 ASP H 2.363 . 3.061 2.564 2.443 2.731 . 0 0 "[ . 1 . 2]" 1
202 1 24 ASP H 1 24 ASP HA 2.704 . 3.618 2.842 2.812 2.871 . 0 0 "[ . 1 . 2]" 1
203 1 24 ASP H 1 24 ASP HB2 3.252 . 4.574 2.488 2.269 2.693 . 0 0 "[ . 1 . 2]" 1
204 1 24 ASP H 1 24 ASP HB3 2.715 . 3.637 2.655 2.450 2.873 . 0 0 "[ . 1 . 2]" 1
205 1 24 ASP H 1 25 LEU H 2.883 . 3.922 2.573 2.466 2.687 . 0 0 "[ . 1 . 2]" 1
206 1 24 ASP HA 1 24 ASP HB2 2.889 . 3.932 2.530 2.430 2.647 . 0 0 "[ . 1 . 2]" 1
207 1 24 ASP HA 1 27 LYS H 3.241 . 4.554 3.276 3.125 3.467 . 0 0 "[ . 1 . 2]" 1
208 1 24 ASP HA 1 27 LYS HB2 2.839 . 3.846 2.964 2.502 4.099 0.253 14 0 "[ . 1 . 2]" 1
209 1 24 ASP HA 1 27 LYS QG 3.285 . 4.634 2.935 2.534 3.549 . 0 0 "[ . 1 . 2]" 1
210 1 25 LEU H 1 25 LEU HA 2.726 . 3.655 2.808 2.786 2.828 . 0 0 "[ . 1 . 2]" 1
211 1 25 LEU H 1 25 LEU HB2 2.645 . 3.519 2.255 2.231 2.283 . 0 0 "[ . 1 . 2]" 1
212 1 25 LEU H 1 25 LEU HB3 2.721 . 3.646 3.537 3.521 3.552 . 0 0 "[ . 1 . 2]" 1
213 1 25 LEU H 1 25 LEU QD 3.453 . 4.944 2.358 2.195 3.368 . 0 0 "[ . 1 . 2]" 1
214 1 25 LEU H 1 26 ALA H 2.725 . 3.653 2.663 2.602 2.726 . 0 0 "[ . 1 . 2]" 1
215 1 25 LEU HA 1 25 LEU HB2 2.838 . 3.845 2.979 2.970 2.985 . 0 0 "[ . 1 . 2]" 1
216 1 25 LEU HA 1 25 LEU HB3 2.610 . 3.462 2.648 2.631 2.657 . 0 0 "[ . 1 . 2]" 1
217 1 25 LEU HA 1 25 LEU QD 2.104 . 2.658 1.921 1.898 1.943 . 0 0 "[ . 1 . 2]" 1
218 1 25 LEU HA 1 26 ALA H 3.378 . 4.804 3.508 3.468 3.531 . 0 0 "[ . 1 . 2]" 1
219 1 25 LEU HB2 1 25 LEU QD 2.532 . 3.333 2.376 2.300 2.426 . 0 0 "[ . 1 . 2]" 1
220 1 25 LEU HB2 1 26 ALA H 2.702 . 3.615 2.918 2.800 3.089 . 0 0 "[ . 1 . 2]" 1
221 1 25 LEU HB3 1 25 LEU QD 2.202 . 2.808 2.224 2.090 2.270 . 0 0 "[ . 1 . 2]" 1
222 1 25 LEU HB3 1 26 ALA H 3.860 . 5.723 3.449 3.288 3.608 . 0 0 "[ . 1 . 2]" 1
223 1 25 LEU QD 1 26 ALA H 3.574 . 5.170 3.957 3.909 4.189 . 0 0 "[ . 1 . 2]" 1
224 1 25 LEU QD 1 29 GLN HE21 3.451 . 4.940 3.274 2.165 4.875 . 0 0 "[ . 1 . 2]" 1
225 1 25 LEU QD 1 29 GLN HG2 3.676 . 5.365 3.678 3.050 4.336 . 0 0 "[ . 1 . 2]" 1
226 1 25 LEU QD 1 29 GLN HG3 3.343 . 4.740 3.361 2.833 4.326 . 0 0 "[ . 1 . 2]" 1
227 1 26 ALA H 1 26 ALA HA 2.586 . 3.422 2.811 2.790 2.825 . 0 0 "[ . 1 . 2]" 1
228 1 26 ALA H 1 26 ALA MB 2.044 . 2.566 2.234 2.226 2.241 . 0 0 "[ . 1 . 2]" 1
229 1 26 ALA H 1 27 LYS H 2.679 . 3.576 2.654 2.581 2.737 . 0 0 "[ . 1 . 2]" 1
230 1 26 ALA HA 1 26 ALA MB 2.050 . 2.575 2.129 2.126 2.132 . 0 0 "[ . 1 . 2]" 1
231 1 26 ALA HA 1 29 GLN H 3.078 . 4.262 3.591 3.441 3.815 . 0 0 "[ . 1 . 2]" 1
232 1 26 ALA HA 1 29 GLN HB2 2.906 . 3.962 2.892 2.637 3.183 . 0 0 "[ . 1 . 2]" 1
233 1 26 ALA MB 1 27 LYS H 2.414 . 3.143 2.250 2.033 2.551 . 0 0 "[ . 1 . 2]" 1
234 1 27 LYS H 1 27 LYS HA 2.607 . 3.456 2.836 2.812 2.869 . 0 0 "[ . 1 . 2]" 1
235 1 27 LYS H 1 27 LYS HB2 2.494 . 3.271 2.440 2.286 2.569 . 0 0 "[ . 1 . 2]" 1
236 1 27 LYS H 1 27 LYS HB3 2.787 . 3.758 3.586 3.551 3.609 . 0 0 "[ . 1 . 2]" 1
237 1 27 LYS H 1 27 LYS HG3 3.355 2.601 4.109 2.683 2.143 3.797 0.458 2 0 "[ . 1 . 2]" 1
238 1 27 LYS HA 1 27 LYS HB2 2.778 . 3.743 2.335 2.293 2.379 . 0 0 "[ . 1 . 2]" 1
239 1 27 LYS HA 1 27 LYS HB2 2.986 . 4.101 3.021 3.000 3.028 . 0 0 "[ . 1 . 2]" 1
240 1 27 LYS HA 1 27 LYS HB3 2.312 . 2.980 2.390 2.349 2.463 . 0 0 "[ . 1 . 2]" 1
241 1 27 LYS HA 1 30 LYS H 2.744 . 3.685 2.757 2.707 2.796 . 0 0 "[ . 1 . 2]" 1
242 1 27 LYS HA 1 30 LYS HB2 2.667 . 3.556 2.431 2.376 2.487 . 0 0 "[ . 1 . 2]" 1
243 1 29 GLN H 1 29 GLN HA 2.740 . 3.679 2.814 2.794 2.829 . 0 0 "[ . 1 . 2]" 1
244 1 29 GLN H 1 29 GLN HB2 2.605 . 3.453 2.425 2.377 2.469 . 0 0 "[ . 1 . 2]" 1
245 1 29 GLN H 1 29 GLN HB3 3.541 . 5.108 3.592 3.578 3.602 . 0 0 "[ . 1 . 2]" 1
246 1 29 GLN H 1 29 GLN HG2 3.369 . 4.788 3.229 2.295 3.668 . 0 0 "[ . 1 . 2]" 1
247 1 29 GLN H 1 29 GLN HG3 2.738 . 3.675 2.768 2.266 3.752 0.077 19 0 "[ . 1 . 2]" 1
248 1 29 GLN H 1 30 LYS H 2.729 . 3.660 2.672 2.601 2.755 . 0 0 "[ . 1 . 2]" 1
249 1 29 GLN HA 1 29 GLN HB2 2.999 . 4.124 3.019 3.010 3.024 . 0 0 "[ . 1 . 2]" 1
250 1 29 GLN HA 1 29 GLN HB3 2.616 . 3.472 2.524 2.500 2.553 . 0 0 "[ . 1 . 2]" 1
251 1 29 GLN HA 1 29 GLN HG2 2.951 . 4.040 2.672 2.416 3.051 . 0 0 "[ . 1 . 2]" 1
252 1 29 GLN HA 1 29 GLN HG3 3.033 . 4.183 3.184 2.845 3.735 . 0 0 "[ . 1 . 2]" 1
253 1 29 GLN HA 1 32 LEU H 3.616 . 5.250 3.586 3.272 3.846 . 0 0 "[ . 1 . 2]" 1
254 1 29 GLN HA 1 32 LEU HB3 3.255 . 4.579 2.891 2.346 3.241 . 0 0 "[ . 1 . 2]" 1
255 1 29 GLN HA 1 32 LEU QD 3.249 . 4.568 4.078 2.851 4.409 . 0 0 "[ . 1 . 2]" 1
256 1 29 GLN HB2 1 30 LYS H 3.136 . 4.365 2.752 2.558 2.943 . 0 0 "[ . 1 . 2]" 1
257 1 29 GLN HB3 1 29 GLN HG2 2.944 . 4.027 2.606 2.385 3.018 . 0 0 "[ . 1 . 2]" 1
258 1 29 GLN HE21 1 29 GLN HG3 3.977 . 5.954 2.709 2.249 3.451 . 0 0 "[ . 1 . 2]" 1
259 1 30 LYS H 1 30 LYS HA 2.679 . 3.576 2.838 2.809 2.877 . 0 0 "[ . 1 . 2]" 1
260 1 30 LYS H 1 30 LYS HB2 2.478 . 3.246 2.579 2.490 2.710 . 0 0 "[ . 1 . 2]" 1
261 1 30 LYS H 1 30 LYS HB3 2.694 . 3.601 2.492 2.344 2.603 . 0 0 "[ . 1 . 2]" 1
262 1 30 LYS H 1 31 ASP H 2.671 . 3.563 2.606 2.484 2.757 . 0 0 "[ . 1 . 2]" 1
263 1 30 LYS HA 1 31 ASP H 3.428 . 4.897 3.546 3.530 3.568 . 0 0 "[ . 1 . 2]" 1
264 1 30 LYS HB2 1 31 ASP H 2.827 . 3.826 3.858 3.752 3.969 0.143 7 0 "[ . 1 . 2]" 1
265 1 30 LYS HB3 1 31 ASP H 3.798 . 5.601 2.556 2.426 2.648 . 0 0 "[ . 1 . 2]" 1
266 1 31 ASP H 1 31 ASP HA 2.818 . 3.810 2.856 2.828 2.886 . 0 0 "[ . 1 . 2]" 1
267 1 31 ASP H 1 31 ASP HB2 2.773 . 3.734 2.544 2.306 2.660 . 0 0 "[ . 1 . 2]" 1
268 1 31 ASP H 1 31 ASP HB3 3.456 . 4.949 2.604 2.491 2.816 . 0 0 "[ . 1 . 2]" 1
269 1 31 ASP H 1 32 LEU H 2.844 . 3.855 2.517 2.421 2.601 . 0 0 "[ . 1 . 2]" 1
270 1 31 ASP H 1 33 ALA H 4.485 . 6.999 4.087 3.988 4.325 . 0 0 "[ . 1 . 2]" 1
271 1 31 ASP HA 1 31 ASP HB3 2.532 . 3.334 3.026 3.007 3.035 . 0 0 "[ . 1 . 2]" 1
272 1 31 ASP HA 1 34 ASP H 3.523 . 5.075 3.305 3.151 3.473 . 0 0 "[ . 1 . 2]" 1
273 1 31 ASP HA 1 34 ASP HB2 2.606 . 3.455 3.581 2.841 4.001 0.546 14 1 "[ . 1 +. 2]" 1
274 1 31 ASP HB2 1 32 LEU H 3.248 . 4.567 3.932 3.730 4.042 . 0 0 "[ . 1 . 2]" 1
275 1 31 ASP HB3 1 32 LEU H 3.769 . 5.545 2.804 2.686 2.916 . 0 0 "[ . 1 . 2]" 1
276 1 32 LEU H 1 32 LEU HA 2.825 . 3.823 2.817 2.794 2.839 . 0 0 "[ . 1 . 2]" 1
277 1 32 LEU H 1 32 LEU HB3 2.821 . 3.815 2.763 2.565 2.812 . 0 0 "[ . 1 . 2]" 1
278 1 32 LEU H 1 32 LEU QD 3.348 . 4.559 3.553 3.498 3.658 . 0 0 "[ . 1 . 2]" 1
279 1 32 LEU H 1 33 ALA H 2.777 . 3.741 2.628 2.543 2.695 . 0 0 "[ . 1 . 2]" 1
280 1 32 LEU HA 1 32 LEU HB3 2.906 . 3.962 3.002 2.994 3.017 . 0 0 "[ . 1 . 2]" 1
281 1 32 LEU HA 1 32 LEU QD . 2.406 2.662 1.934 1.897 2.086 0.509 15 3 "[* - . 1 + 2]" 1
282 1 32 LEU HA 1 33 ALA H 3.253 . 4.576 3.522 3.473 3.549 . 0 0 "[ . 1 . 2]" 1
283 1 32 LEU HB2 1 32 LEU QD 2.004 . 2.506 2.302 2.093 2.343 . 0 0 "[ . 1 . 2]" 1
284 1 32 LEU HB3 1 32 LEU QD 2.708 . 2.977 2.278 2.211 2.330 . 0 0 "[ . 1 . 2]" 1
285 1 32 LEU MD1 1 32 LEU MD2 1.826 . 2.243 2.083 2.080 2.089 . 0 0 "[ . 1 . 2]" 1
286 1 32 LEU QD 1 33 ALA H 3.712 . 5.434 3.584 3.387 4.108 . 0 0 "[ . 1 . 2]" 1
287 1 33 ALA H 1 33 ALA HA 2.510 . 3.298 2.802 2.786 2.819 . 0 0 "[ . 1 . 2]" 1
288 1 33 ALA H 1 33 ALA MB 1.952 . 2.428 2.218 2.209 2.224 . 0 0 "[ . 1 . 2]" 1
289 1 33 ALA H 1 34 ASP H 2.648 . 3.524 2.655 2.569 2.752 . 0 0 "[ . 1 . 2]" 1
290 1 33 ALA HA 1 33 ALA MB 1.990 . 2.485 2.127 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
291 1 33 ALA HA 1 34 ASP H 3.214 . 4.505 3.510 3.479 3.546 . 0 0 "[ . 1 . 2]" 1
292 1 33 ALA MB 1 34 ASP H 2.579 . 3.411 2.574 2.356 2.726 . 0 0 "[ . 1 . 2]" 1
293 1 34 ASP H 1 34 ASP HA 2.669 . 3.560 2.852 2.806 2.896 . 0 0 "[ . 1 . 2]" 1
294 1 34 ASP H 1 34 ASP HB2 2.540 . 3.346 2.656 2.534 2.771 . 0 0 "[ . 1 . 2]" 1
295 1 34 ASP HA 1 34 ASP QB 2.568 . 3.392 2.342 2.304 2.381 . 0 0 "[ . 1 . 2]" 1
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