NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392111 |
1psm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1psm
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 279
_Distance_constraint_stats_list.Viol_count 213
_Distance_constraint_stats_list.Viol_total 150.607
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0354
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.123 0.044 14 0 "[ . 1 . 2]"
1 2 ALA 0.212 0.069 11 0 "[ . 1 . 2]"
1 3 TYR 0.089 0.069 11 0 "[ . 1 . 2]"
1 4 LYS 0.120 0.106 3 0 "[ . 1 . 2]"
1 5 LYS 0.120 0.106 3 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.067 0.067 19 0 "[ . 1 . 2]"
1 8 GLN 0.433 0.101 2 0 "[ . 1 . 2]"
1 9 ALA 0.512 0.101 2 0 "[ . 1 . 2]"
1 10 SER 0.565 0.104 18 0 "[ . 1 . 2]"
1 11 GLN 0.013 0.013 2 0 "[ . 1 . 2]"
1 12 ASP 0.391 0.086 11 0 "[ . 1 . 2]"
1 13 ALA 0.376 0.104 18 0 "[ . 1 . 2]"
1 14 GLU 0.034 0.017 11 0 "[ . 1 . 2]"
1 15 GLN 0.344 0.086 11 0 "[ . 1 . 2]"
1 16 ALA 0.289 0.081 11 0 "[ . 1 . 2]"
1 17 ALA 0.128 0.056 1 0 "[ . 1 . 2]"
1 18 LYS 0.408 0.071 20 0 "[ . 1 . 2]"
1 19 ASP 1.321 0.105 20 0 "[ . 1 . 2]"
1 20 ALA 0.028 0.028 20 0 "[ . 1 . 2]"
1 21 GLU 0.326 0.089 15 0 "[ . 1 . 2]"
1 22 ASN 0.863 0.081 16 0 "[ . 1 . 2]"
1 23 ALA 0.515 0.105 20 0 "[ . 1 . 2]"
1 24 SER 0.399 0.079 19 0 "[ . 1 . 2]"
1 25 LYS 0.163 0.070 20 0 "[ . 1 . 2]"
1 26 GLU 0.489 0.081 16 0 "[ . 1 . 2]"
1 27 ALA 0.119 0.072 14 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.751 0.117 14 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.663 0.139 13 0 "[ . 1 . 2]"
1 32 LYS 0.585 0.081 3 0 "[ . 1 . 2]"
1 33 GLU 0.714 0.117 14 0 "[ . 1 . 2]"
1 34 ALA 0.613 0.081 3 0 "[ . 1 . 2]"
1 35 VAL 0.043 0.022 4 0 "[ . 1 . 2]"
1 36 ASN 1.472 0.139 13 0 "[ . 1 . 2]"
1 37 LEU 0.231 0.056 3 0 "[ . 1 . 2]"
1 38 LYS 0.922 0.124 9 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 1 GLU HA 1 2 ALA H 0.000 . 3.630 3.068 2.267 3.674 0.044 14 0 "[ . 1 . 2]" 1
2 1 1 GLU QG 1 2 ALA H 0.000 . 7.040 3.970 2.582 5.014 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 3 TYR H 0.000 . 4.330 3.537 2.319 4.399 0.069 11 0 "[ . 1 . 2]" 1
4 1 2 ALA HA 1 3 TYR QD 0.000 . 9.410 5.080 2.860 6.284 . 0 0 "[ . 1 . 2]" 1
5 1 3 TYR H 1 4 LYS H 0.000 . 4.700 3.690 1.830 4.499 . 0 0 "[ . 1 . 2]" 1
6 1 3 TYR HA 1 4 LYS QB 0.000 . 7.640 4.518 3.709 5.286 . 0 0 "[ . 1 . 2]" 1
7 1 3 TYR HA 1 4 LYS QG 0.000 . 6.530 4.859 3.957 5.909 . 0 0 "[ . 1 . 2]" 1
8 1 3 TYR QD 1 4 LYS H 0.000 . 7.840 3.130 2.329 4.986 . 0 0 "[ . 1 . 2]" 1
9 1 3 TYR QD 1 4 LYS HA 0.000 . 7.870 4.665 3.580 6.036 . 0 0 "[ . 1 . 2]" 1
10 1 3 TYR QE 1 4 LYS H 0.000 . 7.290 4.571 3.526 6.596 . 0 0 "[ . 1 . 2]" 1
11 1 3 TYR QE 1 4 LYS QD 0.000 . 8.680 6.218 3.988 7.139 . 0 0 "[ . 1 . 2]" 1
12 1 3 TYR QE 1 5 LYS HA 0.000 . 7.690 5.542 3.234 7.094 . 0 0 "[ . 1 . 2]" 1
13 1 3 TYR QE 1 5 LYS QG 0.000 . 8.580 5.111 2.441 7.001 . 0 0 "[ . 1 . 2]" 1
14 1 4 LYS H 1 5 LYS H 0.000 . 4.700 3.479 2.256 4.587 . 0 0 "[ . 1 . 2]" 1
15 1 4 LYS QB 1 5 LYS H 0.000 . 5.730 3.127 1.674 4.144 0.106 3 0 "[ . 1 . 2]" 1
16 1 5 LYS H 1 5 LYS QD 0.000 . 5.500 4.445 3.561 4.973 . 0 0 "[ . 1 . 2]" 1
17 1 5 LYS H 1 6 ALA H 0.000 . 4.700 3.405 1.871 4.455 . 0 0 "[ . 1 . 2]" 1
18 1 7 LYS H 1 7 LYS QD 0.000 . 5.160 3.848 1.713 4.683 0.067 19 0 "[ . 1 . 2]" 1
19 1 7 LYS QB 1 8 GLN H 0.000 . 4.570 3.105 2.048 4.090 . 0 0 "[ . 1 . 2]" 1
20 1 7 LYS QB 1 8 GLN QG 0.000 . 7.800 5.111 3.322 6.258 . 0 0 "[ . 1 . 2]" 1
21 1 8 GLN H 1 8 GLN HB2 0.000 . 3.770 3.067 2.214 3.662 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLN H 1 8 GLN QB 0.000 . 3.570 2.740 2.190 3.215 . 0 0 "[ . 1 . 2]" 1
23 1 8 GLN H 1 8 GLN HB3 0.000 . 3.770 3.413 2.594 3.815 0.045 11 0 "[ . 1 . 2]" 1
24 1 8 GLN H 1 9 ALA H 0.000 . 4.200 3.159 1.925 4.136 . 0 0 "[ . 1 . 2]" 1
25 1 8 GLN QB 1 9 ALA H 0.000 . 4.110 2.973 1.850 3.850 . 0 0 "[ . 1 . 2]" 1
26 1 8 GLN HB2 1 9 ALA H 0.000 . 4.300 3.622 2.161 4.386 0.086 18 0 "[ . 1 . 2]" 1
27 1 8 GLN HB3 1 9 ALA H 0.000 . 4.300 3.357 1.912 4.401 0.101 2 0 "[ . 1 . 2]" 1
28 1 8 GLN QG 1 9 ALA H 0.000 . 5.680 3.574 1.909 4.992 . 0 0 "[ . 1 . 2]" 1
29 1 9 ALA H 1 10 SER H 0.000 . 4.200 3.354 1.921 4.281 0.081 6 0 "[ . 1 . 2]" 1
30 1 9 ALA H 1 12 ASP QB 0.000 . 6.410 5.406 4.093 5.814 . 0 0 "[ . 1 . 2]" 1
31 1 10 SER H 1 10 SER HB2 0.000 . 4.120 3.126 2.390 3.794 . 0 0 "[ . 1 . 2]" 1
32 1 10 SER H 1 10 SER HB3 0.000 . 4.120 3.930 3.253 4.100 . 0 0 "[ . 1 . 2]" 1
33 1 10 SER H 1 11 GLN H 0.000 . 5.500 3.464 2.461 4.109 . 0 0 "[ . 1 . 2]" 1
34 1 10 SER H 1 11 GLN QB 0.000 . 6.880 5.091 3.533 5.773 . 0 0 "[ . 1 . 2]" 1
35 1 10 SER H 1 11 GLN QG 0.000 . 6.900 4.815 3.506 5.677 . 0 0 "[ . 1 . 2]" 1
36 1 10 SER HA 1 11 GLN H 0.000 . 3.280 2.879 2.557 3.213 . 0 0 "[ . 1 . 2]" 1
37 1 10 SER HA 1 11 GLN QB 0.000 . 5.670 4.827 4.483 5.065 . 0 0 "[ . 1 . 2]" 1
38 1 10 SER HA 1 11 GLN QG 0.000 . 5.850 4.600 3.853 5.273 . 0 0 "[ . 1 . 2]" 1
39 1 10 SER HA 1 13 ALA H 0.000 . 4.700 4.155 2.610 4.804 0.104 18 0 "[ . 1 . 2]" 1
40 1 10 SER HA 1 13 ALA MB 0.000 . 6.900 3.908 2.321 4.896 . 0 0 "[ . 1 . 2]" 1
41 1 10 SER QB 1 14 GLU QB 0.000 . 6.780 4.813 2.171 5.500 . 0 0 "[ . 1 . 2]" 1
42 1 10 SER HB2 1 11 GLN H 0.000 . 4.590 3.491 2.298 4.537 . 0 0 "[ . 1 . 2]" 1
43 1 10 SER HB2 1 11 GLN QG 0.000 . 6.900 4.687 3.552 5.978 . 0 0 "[ . 1 . 2]" 1
44 1 10 SER HB2 1 13 ALA H 0.000 . 6.000 4.773 3.592 6.035 0.035 6 0 "[ . 1 . 2]" 1
45 1 10 SER HB2 1 14 GLU QB 0.000 . 6.900 5.659 3.614 6.222 . 0 0 "[ . 1 . 2]" 1
46 1 10 SER HB3 1 11 GLN H 0.000 . 4.590 3.025 1.870 4.584 . 0 0 "[ . 1 . 2]" 1
47 1 10 SER HB3 1 11 GLN QG 0.000 . 6.900 4.294 2.471 6.196 . 0 0 "[ . 1 . 2]" 1
48 1 10 SER HB3 1 13 ALA H 0.000 . 6.000 4.758 3.838 5.617 . 0 0 "[ . 1 . 2]" 1
49 1 10 SER HB3 1 14 GLU QB 0.000 . 6.900 5.264 2.189 6.127 . 0 0 "[ . 1 . 2]" 1
50 1 11 GLN H 1 11 GLN HB2 0.000 . 3.980 3.601 3.546 3.711 . 0 0 "[ . 1 . 2]" 1
51 1 11 GLN H 1 11 GLN QB 0.000 . 3.740 2.583 2.369 2.776 . 0 0 "[ . 1 . 2]" 1
52 1 11 GLN H 1 11 GLN HB3 0.000 . 3.980 2.650 2.404 2.896 . 0 0 "[ . 1 . 2]" 1
53 1 11 GLN H 1 11 GLN QG 0.000 . 5.080 2.101 1.767 2.632 0.013 2 0 "[ . 1 . 2]" 1
54 1 11 GLN H 1 12 ASP H 0.000 . 4.200 2.546 1.918 2.956 . 0 0 "[ . 1 . 2]" 1
55 1 11 GLN H 1 12 ASP QB 0.000 . 5.540 4.305 3.408 4.768 . 0 0 "[ . 1 . 2]" 1
56 1 11 GLN HA 1 14 GLU H 0.000 . 5.500 3.288 2.631 4.442 . 0 0 "[ . 1 . 2]" 1
57 1 11 GLN HA 1 14 GLU QB 0.000 . 6.900 2.574 1.861 4.132 . 0 0 "[ . 1 . 2]" 1
58 1 11 GLN HA 1 15 GLN H 0.000 . 5.500 3.884 2.882 5.376 . 0 0 "[ . 1 . 2]" 1
59 1 11 GLN HB2 1 12 ASP H 0.000 . 6.000 4.046 3.764 4.429 . 0 0 "[ . 1 . 2]" 1
60 1 11 GLN HB3 1 12 ASP H 0.000 . 6.000 4.201 3.848 4.531 . 0 0 "[ . 1 . 2]" 1
61 1 11 GLN QG 1 12 ASP H 0.000 . 6.900 2.579 2.138 3.202 . 0 0 "[ . 1 . 2]" 1
62 1 11 GLN QG 1 12 ASP HA 0.000 . 5.560 3.980 3.297 4.803 . 0 0 "[ . 1 . 2]" 1
63 1 11 GLN QG 1 12 ASP QB 0.000 . 7.800 3.718 2.162 4.712 . 0 0 "[ . 1 . 2]" 1
64 1 12 ASP HA 1 14 GLU H 0.000 . 5.500 4.176 3.662 4.748 . 0 0 "[ . 1 . 2]" 1
65 1 12 ASP HA 1 15 GLN H 0.000 . 4.700 3.612 3.249 3.952 . 0 0 "[ . 1 . 2]" 1
66 1 12 ASP HA 1 15 GLN HB2 0.000 . 4.250 3.862 2.687 4.336 0.086 11 0 "[ . 1 . 2]" 1
67 1 12 ASP HA 1 15 GLN HB3 0.000 . 4.250 3.248 2.555 4.278 0.028 3 0 "[ . 1 . 2]" 1
68 1 12 ASP HA 1 16 ALA H 0.000 . 4.720 4.076 3.504 4.801 0.081 11 0 "[ . 1 . 2]" 1
69 1 12 ASP QB 1 13 ALA MB 0.000 . 7.930 3.870 3.271 4.512 . 0 0 "[ . 1 . 2]" 1
70 1 12 ASP QB 1 14 GLU H 0.000 . 5.330 4.714 4.335 4.831 . 0 0 "[ . 1 . 2]" 1
71 1 12 ASP QB 1 15 GLN HB2 0.000 . 6.900 5.808 4.782 6.199 . 0 0 "[ . 1 . 2]" 1
72 1 12 ASP QB 1 15 GLN HB3 0.000 . 6.900 5.259 4.547 6.172 . 0 0 "[ . 1 . 2]" 1
73 1 13 ALA H 1 14 GLU H 0.000 . 4.200 2.096 1.763 2.437 0.017 11 0 "[ . 1 . 2]" 1
74 1 13 ALA H 1 15 GLN H 0.000 . 4.700 3.742 3.493 4.073 . 0 0 "[ . 1 . 2]" 1
75 1 13 ALA HA 1 16 ALA H 0.000 . 4.200 3.758 3.155 4.213 0.013 11 0 "[ . 1 . 2]" 1
76 1 13 ALA MB 1 14 GLU QB 0.000 . 7.930 3.907 3.536 4.779 . 0 0 "[ . 1 . 2]" 1
77 1 13 ALA MB 1 14 GLU QG 0.000 . 7.910 4.733 3.872 5.395 . 0 0 "[ . 1 . 2]" 1
78 1 14 GLU H 1 14 GLU HG2 0.000 . 4.630 4.277 3.007 4.586 . 0 0 "[ . 1 . 2]" 1
79 1 14 GLU H 1 14 GLU QG 0.000 . 4.330 3.734 2.309 4.028 . 0 0 "[ . 1 . 2]" 1
80 1 14 GLU H 1 14 GLU HG3 0.000 . 4.630 4.181 2.399 4.621 . 0 0 "[ . 1 . 2]" 1
81 1 14 GLU H 1 15 GLN H 0.000 . 4.200 2.388 2.058 2.961 . 0 0 "[ . 1 . 2]" 1
82 1 14 GLU H 1 15 GLN HA 0.000 . 5.500 5.011 4.743 5.402 . 0 0 "[ . 1 . 2]" 1
83 1 14 GLU H 1 16 ALA H 0.000 . 5.500 3.906 3.598 4.416 . 0 0 "[ . 1 . 2]" 1
84 1 14 GLU H 1 17 ALA H 0.000 . 5.500 4.884 4.493 5.437 . 0 0 "[ . 1 . 2]" 1
85 1 14 GLU HA 1 17 ALA H 0.000 . 4.200 3.776 3.336 4.217 0.017 20 0 "[ . 1 . 2]" 1
86 1 14 GLU QG 1 15 GLN H 0.000 . 6.320 4.225 2.732 4.876 . 0 0 "[ . 1 . 2]" 1
87 1 15 GLN H 1 15 GLN QG 0.000 . 4.920 3.954 3.566 4.166 . 0 0 "[ . 1 . 2]" 1
88 1 15 GLN H 1 16 ALA H 0.000 . 5.500 2.571 2.305 2.997 . 0 0 "[ . 1 . 2]" 1
89 1 15 GLN H 1 17 ALA H 0.000 . 4.400 4.004 3.681 4.417 0.017 20 0 "[ . 1 . 2]" 1
90 1 15 GLN H 1 18 LYS QB 0.000 . 6.900 4.919 3.670 5.543 . 0 0 "[ . 1 . 2]" 1
91 1 15 GLN HA 1 15 GLN HE21 0.000 . 4.610 3.514 2.689 4.149 . 0 0 "[ . 1 . 2]" 1
92 1 15 GLN HA 1 15 GLN HE22 0.000 . 4.890 4.285 3.518 4.940 0.050 6 0 "[ . 1 . 2]" 1
93 1 15 GLN HA 1 18 LYS H 0.000 . 4.390 3.260 2.793 3.566 . 0 0 "[ . 1 . 2]" 1
94 1 15 GLN HA 1 18 LYS QB 0.000 . 4.660 2.552 2.016 3.203 . 0 0 "[ . 1 . 2]" 1
95 1 15 GLN HA 1 18 LYS HD2 0.000 . 5.120 3.197 1.972 4.888 . 0 0 "[ . 1 . 2]" 1
96 1 15 GLN HA 1 18 LYS QD 0.000 . 4.960 2.961 1.964 4.273 . 0 0 "[ . 1 . 2]" 1
97 1 15 GLN HA 1 18 LYS HD3 0.000 . 5.120 4.050 2.652 5.014 . 0 0 "[ . 1 . 2]" 1
98 1 15 GLN HA 1 19 ASP H 0.000 . 5.080 4.466 3.288 5.083 0.003 18 0 "[ . 1 . 2]" 1
99 1 15 GLN QB 1 18 LYS QD 0.000 . 7.750 4.444 3.684 5.620 . 0 0 "[ . 1 . 2]" 1
100 1 15 GLN QB 1 18 LYS QG 0.000 . 7.780 5.426 3.668 6.240 . 0 0 "[ . 1 . 2]" 1
101 1 15 GLN HE21 1 18 LYS QB 0.000 . 5.030 3.521 2.180 4.373 . 0 0 "[ . 1 . 2]" 1
102 1 15 GLN HE21 1 19 ASP QB 0.000 . 6.780 4.555 2.669 6.058 . 0 0 "[ . 1 . 2]" 1
103 1 15 GLN HE22 1 18 LYS QB 0.000 . 5.940 4.016 2.998 5.290 . 0 0 "[ . 1 . 2]" 1
104 1 15 GLN HE22 1 18 LYS QD 0.000 . 6.540 4.327 2.383 5.858 . 0 0 "[ . 1 . 2]" 1
105 1 15 GLN QG 1 18 LYS H 0.000 . 5.810 4.890 4.102 5.179 . 0 0 "[ . 1 . 2]" 1
106 1 15 GLN QG 1 18 LYS QB 0.000 . 7.800 3.745 3.001 4.607 . 0 0 "[ . 1 . 2]" 1
107 1 15 GLN QG 1 18 LYS QG 0.000 . 7.800 5.091 4.377 5.952 . 0 0 "[ . 1 . 2]" 1
108 1 15 GLN QG 1 19 ASP H 0.000 . 6.470 5.008 3.583 5.816 . 0 0 "[ . 1 . 2]" 1
109 1 16 ALA H 1 17 ALA H 0.000 . 3.380 2.619 2.438 2.901 . 0 0 "[ . 1 . 2]" 1
110 1 16 ALA H 1 19 ASP H 0.000 . 5.500 5.088 4.589 5.529 0.029 8 0 "[ . 1 . 2]" 1
111 1 16 ALA HA 1 19 ASP H 0.000 . 4.010 3.619 3.201 4.084 0.074 13 0 "[ . 1 . 2]" 1
112 1 16 ALA HA 1 19 ASP QB 0.000 . 4.600 3.283 2.319 3.822 . 0 0 "[ . 1 . 2]" 1
113 1 17 ALA HA 1 19 ASP H 0.000 . 4.700 4.392 3.917 4.756 0.056 1 0 "[ . 1 . 2]" 1
114 1 18 LYS H 1 18 LYS HD2 0.000 . 6.000 4.436 3.532 5.235 . 0 0 "[ . 1 . 2]" 1
115 1 18 LYS H 1 18 LYS HD3 0.000 . 6.000 4.899 4.237 5.308 . 0 0 "[ . 1 . 2]" 1
116 1 18 LYS H 1 19 ASP H 0.000 . 3.520 2.380 2.173 2.627 . 0 0 "[ . 1 . 2]" 1
117 1 18 LYS H 1 19 ASP HA 0.000 . 5.090 4.980 4.562 5.150 0.060 13 0 "[ . 1 . 2]" 1
118 1 18 LYS H 1 19 ASP QB 0.000 . 6.030 4.255 3.649 4.685 . 0 0 "[ . 1 . 2]" 1
119 1 18 LYS H 1 20 ALA H 0.000 . 5.500 4.001 3.440 5.162 . 0 0 "[ . 1 . 2]" 1
120 1 18 LYS HA 1 20 ALA H 0.000 . 4.700 3.701 3.199 4.287 . 0 0 "[ . 1 . 2]" 1
121 1 18 LYS HA 1 21 GLU H 0.000 . 4.200 3.486 2.985 3.876 . 0 0 "[ . 1 . 2]" 1
122 1 18 LYS HA 1 22 ASN H 0.000 . 4.700 4.316 3.614 4.771 0.071 20 0 "[ . 1 . 2]" 1
123 1 18 LYS QB 1 19 ASP H 0.000 . 4.930 2.974 2.526 3.323 . 0 0 "[ . 1 . 2]" 1
124 1 18 LYS QB 1 19 ASP HA 0.000 . 5.830 4.169 3.717 4.384 . 0 0 "[ . 1 . 2]" 1
125 1 18 LYS QB 1 19 ASP HB2 0.000 . 7.110 4.520 3.905 6.015 . 0 0 "[ . 1 . 2]" 1
126 1 18 LYS QB 1 19 ASP QB 0.000 . 6.730 4.274 3.763 4.835 . 0 0 "[ . 1 . 2]" 1
127 1 18 LYS QB 1 19 ASP HB3 0.000 . 7.110 5.449 4.927 5.959 . 0 0 "[ . 1 . 2]" 1
128 1 18 LYS QB 1 20 ALA H 0.000 . 5.390 4.569 4.374 4.858 . 0 0 "[ . 1 . 2]" 1
129 1 18 LYS QB 1 22 ASN HD22 0.000 . 6.390 3.789 2.410 5.512 . 0 0 "[ . 1 . 2]" 1
130 1 18 LYS QD 1 19 ASP H 0.000 . 5.850 4.994 4.232 5.265 . 0 0 "[ . 1 . 2]" 1
131 1 18 LYS QD 1 22 ASN HD22 0.000 . 6.760 4.326 2.714 6.001 . 0 0 "[ . 1 . 2]" 1
132 1 18 LYS HD2 1 19 ASP H 0.000 . 6.180 5.667 4.873 6.131 . 0 0 "[ . 1 . 2]" 1
133 1 18 LYS HD3 1 19 ASP H 0.000 . 6.180 5.657 4.428 6.219 0.039 20 0 "[ . 1 . 2]" 1
134 1 18 LYS QG 1 19 ASP H 0.000 . 4.990 4.282 3.501 4.541 . 0 0 "[ . 1 . 2]" 1
135 1 19 ASP H 1 20 ALA H 0.000 . 3.580 2.649 2.417 3.333 . 0 0 "[ . 1 . 2]" 1
136 1 19 ASP H 1 21 GLU H 0.000 . 4.450 4.312 4.018 4.539 0.089 15 0 "[ . 1 . 2]" 1
137 1 19 ASP H 1 22 ASN QB 0.000 . 5.630 4.519 3.591 4.786 . 0 0 "[ . 1 . 2]" 1
138 1 19 ASP H 1 22 ASN HD21 0.000 . 4.790 4.533 4.121 4.841 0.051 18 0 "[ . 1 . 2]" 1
139 1 19 ASP HA 1 21 GLU H 0.000 . 4.900 4.072 3.593 4.780 . 0 0 "[ . 1 . 2]" 1
140 1 19 ASP HA 1 22 ASN H 0.000 . 4.380 3.200 2.597 3.891 . 0 0 "[ . 1 . 2]" 1
141 1 19 ASP HA 1 22 ASN QB 0.000 . 4.610 2.192 1.870 2.923 . 0 0 "[ . 1 . 2]" 1
142 1 19 ASP HA 1 22 ASN HD21 0.000 . 4.980 3.071 2.443 3.811 . 0 0 "[ . 1 . 2]" 1
143 1 19 ASP HA 1 22 ASN HD22 0.000 . 5.820 4.585 3.639 5.293 . 0 0 "[ . 1 . 2]" 1
144 1 19 ASP HA 1 23 ALA H 0.000 . 4.700 4.395 3.262 4.805 0.105 20 0 "[ . 1 . 2]" 1
145 1 19 ASP QB 1 21 GLU H 0.000 . 6.110 5.187 4.955 5.489 . 0 0 "[ . 1 . 2]" 1
146 1 20 ALA H 1 21 GLU H 0.000 . 4.200 2.283 2.139 2.594 . 0 0 "[ . 1 . 2]" 1
147 1 20 ALA H 1 21 GLU QB 0.000 . 6.900 4.463 3.970 4.973 . 0 0 "[ . 1 . 2]" 1
148 1 20 ALA H 1 21 GLU QG 0.000 . 5.830 4.183 3.412 5.256 . 0 0 "[ . 1 . 2]" 1
149 1 20 ALA H 1 22 ASN H 0.000 . 4.200 3.560 3.257 3.877 . 0 0 "[ . 1 . 2]" 1
150 1 20 ALA H 1 22 ASN QB 0.000 . 6.180 4.449 3.794 4.795 . 0 0 "[ . 1 . 2]" 1
151 1 20 ALA H 1 23 ALA H 0.000 . 5.500 4.967 4.289 5.528 0.028 20 0 "[ . 1 . 2]" 1
152 1 21 GLU H 1 21 GLU HG2 0.000 . 4.530 3.312 2.045 4.080 . 0 0 "[ . 1 . 2]" 1
153 1 21 GLU H 1 21 GLU QG 0.000 . 4.280 2.617 1.968 3.536 . 0 0 "[ . 1 . 2]" 1
154 1 21 GLU H 1 21 GLU HG3 0.000 . 4.530 3.023 2.121 4.394 . 0 0 "[ . 1 . 2]" 1
155 1 21 GLU H 1 22 ASN H 0.000 . 3.270 2.287 2.062 2.883 . 0 0 "[ . 1 . 2]" 1
156 1 21 GLU H 1 22 ASN HA 0.000 . 5.500 4.897 4.606 5.436 . 0 0 "[ . 1 . 2]" 1
157 1 21 GLU H 1 22 ASN QB 0.000 . 6.140 4.161 3.542 4.705 . 0 0 "[ . 1 . 2]" 1
158 1 21 GLU H 1 23 ALA H 0.000 . 4.700 4.049 3.478 4.524 . 0 0 "[ . 1 . 2]" 1
159 1 21 GLU HA 1 24 SER H 0.000 . 4.200 3.879 3.328 4.279 0.079 19 0 "[ . 1 . 2]" 1
160 1 21 GLU HA 1 24 SER QB 0.000 . 5.720 4.348 3.176 5.149 . 0 0 "[ . 1 . 2]" 1
161 1 21 GLU QB 1 22 ASN QB 0.000 . 6.870 4.788 3.611 5.447 . 0 0 "[ . 1 . 2]" 1
162 1 21 GLU QG 1 22 ASN H 0.000 . 5.510 3.661 2.004 4.652 . 0 0 "[ . 1 . 2]" 1
163 1 22 ASN H 1 22 ASN HD21 0.000 . 4.960 3.801 2.802 4.977 0.017 20 0 "[ . 1 . 2]" 1
164 1 22 ASN H 1 22 ASN HD22 0.000 . 6.150 4.746 4.249 5.852 . 0 0 "[ . 1 . 2]" 1
165 1 22 ASN H 1 23 ALA H 0.000 . 3.700 2.727 2.374 2.964 . 0 0 "[ . 1 . 2]" 1
166 1 22 ASN H 1 24 SER H 0.000 . 4.700 4.584 4.295 4.750 0.050 14 0 "[ . 1 . 2]" 1
167 1 22 ASN H 1 25 LYS H 0.000 . 5.500 4.971 4.683 5.209 . 0 0 "[ . 1 . 2]" 1
168 1 22 ASN H 1 25 LYS QB 0.000 . 5.580 4.521 4.102 4.855 . 0 0 "[ . 1 . 2]" 1
169 1 22 ASN H 1 25 LYS QG 0.000 . 6.900 4.997 3.799 5.970 . 0 0 "[ . 1 . 2]" 1
170 1 22 ASN HA 1 24 SER H 0.000 . 5.270 4.153 3.703 4.685 . 0 0 "[ . 1 . 2]" 1
171 1 22 ASN HA 1 25 LYS H 0.000 . 4.690 3.162 2.766 3.400 . 0 0 "[ . 1 . 2]" 1
172 1 22 ASN HA 1 25 LYS QB 0.000 . 4.790 2.103 1.891 2.971 . 0 0 "[ . 1 . 2]" 1
173 1 22 ASN HA 1 25 LYS HD2 0.000 . 5.530 4.381 2.105 5.540 0.010 14 0 "[ . 1 . 2]" 1
174 1 22 ASN HA 1 25 LYS QD 0.000 . 5.310 3.824 2.092 4.818 . 0 0 "[ . 1 . 2]" 1
175 1 22 ASN HA 1 25 LYS HD3 0.000 . 5.530 4.475 2.478 5.526 . 0 0 "[ . 1 . 2]" 1
176 1 22 ASN HA 1 25 LYS QG 0.000 . 5.680 3.043 1.907 3.870 . 0 0 "[ . 1 . 2]" 1
177 1 22 ASN HA 1 26 GLU H 0.000 . 4.700 4.466 3.863 4.781 0.081 16 0 "[ . 1 . 2]" 1
178 1 22 ASN QB 1 23 ALA HA 0.000 . 5.720 4.159 3.736 4.483 . 0 0 "[ . 1 . 2]" 1
179 1 22 ASN QB 1 25 LYS H 0.000 . 6.280 4.748 4.272 5.257 . 0 0 "[ . 1 . 2]" 1
180 1 22 ASN QB 1 25 LYS QB 0.000 . 6.580 3.827 3.367 4.937 . 0 0 "[ . 1 . 2]" 1
181 1 22 ASN QB 1 25 LYS QD 0.000 . 8.120 5.260 3.539 6.489 . 0 0 "[ . 1 . 2]" 1
182 1 22 ASN QB 1 25 LYS QG 0.000 . 6.480 4.720 3.524 5.135 . 0 0 "[ . 1 . 2]" 1
183 1 23 ALA H 1 24 SER H 0.000 . 4.700 2.657 2.298 2.974 . 0 0 "[ . 1 . 2]" 1
184 1 23 ALA H 1 24 SER HA 0.000 . 5.500 5.278 4.960 5.513 0.013 9 0 "[ . 1 . 2]" 1
185 1 23 ALA H 1 25 LYS H 0.000 . 4.700 3.809 3.537 4.277 . 0 0 "[ . 1 . 2]" 1
186 1 23 ALA H 1 25 LYS QB 0.000 . 7.030 4.498 4.183 4.756 . 0 0 "[ . 1 . 2]" 1
187 1 23 ALA H 1 26 GLU QB 0.000 . 7.030 5.651 4.492 6.282 . 0 0 "[ . 1 . 2]" 1
188 1 23 ALA HA 1 26 GLU H 0.000 . 4.700 4.060 3.407 4.738 0.038 3 0 "[ . 1 . 2]" 1
189 1 23 ALA HA 1 26 GLU QB 0.000 . 6.900 3.736 2.634 4.661 . 0 0 "[ . 1 . 2]" 1
190 1 24 SER H 1 25 LYS H 0.000 . 4.700 2.368 2.124 2.883 . 0 0 "[ . 1 . 2]" 1
191 1 24 SER HA 1 25 LYS QB 0.000 . 5.930 5.181 4.862 5.352 . 0 0 "[ . 1 . 2]" 1
192 1 24 SER HA 1 26 GLU H 0.000 . 4.770 3.912 3.364 4.522 . 0 0 "[ . 1 . 2]" 1
193 1 24 SER HA 1 26 GLU QG 0.000 . 6.960 5.723 4.052 6.350 . 0 0 "[ . 1 . 2]" 1
194 1 24 SER HA 1 27 ALA H 0.000 . 4.700 3.667 2.848 4.772 0.072 14 0 "[ . 1 . 2]" 1
195 1 24 SER HA 1 27 ALA MB 0.000 . 6.900 3.268 1.862 5.299 . 0 0 "[ . 1 . 2]" 1
196 1 24 SER QB 1 25 LYS QB 0.000 . 7.800 4.708 3.937 5.232 . 0 0 "[ . 1 . 2]" 1
197 1 24 SER QB 1 27 ALA H 0.000 . 6.900 5.039 4.341 6.236 . 0 0 "[ . 1 . 2]" 1
198 1 25 LYS H 1 25 LYS HD2 0.000 . 4.760 4.300 3.526 4.830 0.070 20 0 "[ . 1 . 2]" 1
199 1 25 LYS H 1 25 LYS QD 0.000 . 4.360 3.753 3.049 3.997 . 0 0 "[ . 1 . 2]" 1
200 1 25 LYS H 1 25 LYS HD3 0.000 . 4.760 4.247 3.338 4.781 0.021 9 0 "[ . 1 . 2]" 1
201 1 25 LYS H 1 26 GLU H 0.000 . 4.200 2.539 2.133 3.021 . 0 0 "[ . 1 . 2]" 1
202 1 25 LYS HA 1 28 GLU QB 0.000 . 6.900 3.235 2.081 5.085 . 0 0 "[ . 1 . 2]" 1
203 1 25 LYS QB 1 26 GLU H 0.000 . 4.950 3.108 2.538 3.793 . 0 0 "[ . 1 . 2]" 1
204 1 25 LYS QB 1 26 GLU HA 0.000 . 6.900 4.363 3.825 4.942 . 0 0 "[ . 1 . 2]" 1
205 1 26 GLU H 1 27 ALA H 0.000 . 4.200 2.593 2.053 2.899 . 0 0 "[ . 1 . 2]" 1
206 1 26 GLU H 1 28 GLU H 0.000 . 5.500 4.160 3.456 4.714 . 0 0 "[ . 1 . 2]" 1
207 1 26 GLU HA 1 29 GLU H 0.000 . 4.700 4.208 3.479 4.734 0.034 1 0 "[ . 1 . 2]" 1
208 1 27 ALA H 1 28 GLU H 0.000 . 4.200 2.456 2.158 3.130 . 0 0 "[ . 1 . 2]" 1
209 1 27 ALA HA 1 30 ALA H 0.000 . 4.700 3.774 3.079 4.655 . 0 0 "[ . 1 . 2]" 1
210 1 28 GLU HA 1 31 ALA H 0.000 . 4.700 3.767 2.943 4.394 . 0 0 "[ . 1 . 2]" 1
211 1 28 GLU QG 1 29 GLU H 0.000 . 6.880 4.261 2.970 4.787 . 0 0 "[ . 1 . 2]" 1
212 1 29 GLU H 1 30 ALA H 0.000 . 4.700 2.525 2.185 3.051 . 0 0 "[ . 1 . 2]" 1
213 1 29 GLU H 1 31 ALA H 0.000 . 4.700 4.093 3.683 4.699 . 0 0 "[ . 1 . 2]" 1
214 1 29 GLU H 1 32 LYS QB 0.000 . 6.900 5.272 4.335 6.237 . 0 0 "[ . 1 . 2]" 1
215 1 29 GLU HA 1 32 LYS H 0.000 . 4.200 3.990 3.380 4.270 0.070 6 0 "[ . 1 . 2]" 1
216 1 29 GLU HA 1 32 LYS QB 0.000 . 6.900 3.121 2.118 5.089 . 0 0 "[ . 1 . 2]" 1
217 1 29 GLU HA 1 32 LYS QG 0.000 . 6.900 3.735 1.948 5.033 . 0 0 "[ . 1 . 2]" 1
218 1 29 GLU HA 1 33 GLU H 0.000 . 5.500 4.817 3.131 5.617 0.117 14 0 "[ . 1 . 2]" 1
219 1 29 GLU QB 1 32 LYS QG 0.000 . 7.800 5.105 3.741 6.223 . 0 0 "[ . 1 . 2]" 1
220 1 30 ALA H 1 31 ALA H 0.000 . 3.320 2.429 2.002 3.040 . 0 0 "[ . 1 . 2]" 1
221 1 30 ALA H 1 32 LYS H 0.000 . 4.700 4.096 3.773 4.568 . 0 0 "[ . 1 . 2]" 1
222 1 31 ALA H 1 32 LYS H 0.000 . 4.200 2.782 2.309 3.252 . 0 0 "[ . 1 . 2]" 1
223 1 31 ALA H 1 33 GLU H 0.000 . 5.500 5.043 4.153 5.552 0.052 10 0 "[ . 1 . 2]" 1
224 1 31 ALA HA 1 36 ASN HD21 0.000 . 5.010 4.918 4.530 5.149 0.139 13 0 "[ . 1 . 2]" 1
225 1 32 LYS H 1 32 LYS QD 0.000 . 6.010 4.491 3.120 5.239 . 0 0 "[ . 1 . 2]" 1
226 1 32 LYS H 1 33 GLU H 0.000 . 3.370 2.584 1.910 3.047 . 0 0 "[ . 1 . 2]" 1
227 1 32 LYS HA 1 34 ALA H 0.000 . 4.700 4.393 3.176 4.781 0.081 3 0 "[ . 1 . 2]" 1
228 1 32 LYS HA 1 35 VAL H 0.000 . 4.700 4.348 3.642 4.722 0.022 4 0 "[ . 1 . 2]" 1
229 1 32 LYS HA 1 35 VAL MG1 0.000 . 7.120 5.222 3.189 5.958 . 0 0 "[ . 1 . 2]" 1
230 1 32 LYS HA 1 35 VAL QG 0.000 . 6.670 4.288 3.177 5.045 . 0 0 "[ . 1 . 2]" 1
231 1 32 LYS HA 1 35 VAL MG2 0.000 . 7.120 4.803 3.229 5.997 . 0 0 "[ . 1 . 2]" 1
232 1 32 LYS QB 1 33 GLU H 0.000 . 4.780 2.744 1.853 4.167 . 0 0 "[ . 1 . 2]" 1
233 1 33 GLU H 1 33 GLU HB2 0.000 . 4.010 2.724 2.187 3.721 . 0 0 "[ . 1 . 2]" 1
234 1 33 GLU H 1 33 GLU QB 0.000 . 3.860 2.501 2.133 2.789 . 0 0 "[ . 1 . 2]" 1
235 1 33 GLU H 1 33 GLU HB3 0.000 . 4.010 3.407 2.707 3.754 . 0 0 "[ . 1 . 2]" 1
236 1 33 GLU H 1 33 GLU HG2 0.000 . 4.510 3.541 2.219 4.562 0.052 7 0 "[ . 1 . 2]" 1
237 1 33 GLU H 1 33 GLU QG 0.000 . 4.330 2.835 2.086 3.970 . 0 0 "[ . 1 . 2]" 1
238 1 33 GLU H 1 33 GLU HG3 0.000 . 4.510 3.215 2.259 4.391 . 0 0 "[ . 1 . 2]" 1
239 1 33 GLU QB 1 34 ALA H 0.000 . 4.210 3.281 2.484 3.873 . 0 0 "[ . 1 . 2]" 1
240 1 33 GLU HB2 1 34 ALA H 0.000 . 4.360 3.560 2.533 4.317 . 0 0 "[ . 1 . 2]" 1
241 1 33 GLU HB3 1 34 ALA H 0.000 . 4.360 4.004 3.071 4.405 0.045 19 0 "[ . 1 . 2]" 1
242 1 33 GLU QG 1 34 ALA H 0.000 . 5.410 4.207 2.672 4.822 . 0 0 "[ . 1 . 2]" 1
243 1 33 GLU HG2 1 34 ALA H 0.000 . 5.690 4.878 2.698 5.618 . 0 0 "[ . 1 . 2]" 1
244 1 33 GLU HG3 1 34 ALA H 0.000 . 5.690 4.774 2.736 5.458 . 0 0 "[ . 1 . 2]" 1
245 1 34 ALA H 1 35 VAL H 0.000 . 3.720 2.422 1.966 2.822 . 0 0 "[ . 1 . 2]" 1
246 1 34 ALA H 1 35 VAL MG1 0.000 . 7.890 5.318 3.776 6.131 . 0 0 "[ . 1 . 2]" 1
247 1 34 ALA H 1 35 VAL QG 0.000 . 7.590 3.624 3.039 4.917 . 0 0 "[ . 1 . 2]" 1
248 1 34 ALA H 1 35 VAL MG2 0.000 . 7.890 3.826 3.168 5.759 . 0 0 "[ . 1 . 2]" 1
249 1 34 ALA H 1 36 ASN H 0.000 . 4.700 4.095 3.378 4.695 . 0 0 "[ . 1 . 2]" 1
250 1 34 ALA HA 1 35 VAL MG1 0.000 . 7.800 5.677 4.019 6.274 . 0 0 "[ . 1 . 2]" 1
251 1 34 ALA HA 1 35 VAL QG 0.000 . 7.280 4.180 3.671 4.892 . 0 0 "[ . 1 . 2]" 1
252 1 34 ALA HA 1 35 VAL MG2 0.000 . 7.800 4.477 3.756 5.867 . 0 0 "[ . 1 . 2]" 1
253 1 34 ALA HA 1 37 LEU QB 0.000 . 6.900 5.735 4.135 6.194 . 0 0 "[ . 1 . 2]" 1
254 1 34 ALA HA 1 37 LEU QD 0.000 . 7.800 4.108 2.966 5.796 . 0 0 "[ . 1 . 2]" 1
255 1 34 ALA HA 1 37 LEU HG 0.000 . 6.000 5.598 4.273 6.056 0.056 3 0 "[ . 1 . 2]" 1
256 1 35 VAL H 1 35 VAL HB 0.000 . 4.020 2.941 2.377 4.041 0.021 15 0 "[ . 1 . 2]" 1
257 1 35 VAL H 1 36 ASN H 0.000 . 3.390 2.348 1.901 2.812 . 0 0 "[ . 1 . 2]" 1
258 1 35 VAL HB 1 36 ASN H 0.000 . 6.000 3.412 2.370 4.568 . 0 0 "[ . 1 . 2]" 1
259 1 35 VAL QG 1 36 ASN H 0.000 . 6.560 3.373 2.271 3.897 . 0 0 "[ . 1 . 2]" 1
260 1 35 VAL QG 1 36 ASN HA 0.000 . 7.450 4.019 3.028 4.516 . 0 0 "[ . 1 . 2]" 1
261 1 35 VAL MG1 1 36 ASN H 0.000 . 6.850 3.870 2.959 4.404 . 0 0 "[ . 1 . 2]" 1
262 1 35 VAL MG1 1 36 ASN HA 0.000 . 7.800 4.422 3.046 5.782 . 0 0 "[ . 1 . 2]" 1
263 1 35 VAL MG2 1 36 ASN H 0.000 . 6.850 3.907 2.279 4.453 . 0 0 "[ . 1 . 2]" 1
264 1 35 VAL MG2 1 36 ASN HA 0.000 . 7.800 5.340 3.517 5.869 . 0 0 "[ . 1 . 2]" 1
265 1 36 ASN H 1 36 ASN HD21 0.000 . 5.500 3.720 2.618 5.209 . 0 0 "[ . 1 . 2]" 1
266 1 36 ASN H 1 36 ASN HD22 0.000 . 6.000 4.483 2.973 6.034 0.034 8 0 "[ . 1 . 2]" 1
267 1 36 ASN H 1 37 LEU H 0.000 . 4.700 2.922 1.878 4.126 . 0 0 "[ . 1 . 2]" 1
268 1 36 ASN HA 1 37 LEU QB 0.000 . 6.380 4.311 3.948 4.825 . 0 0 "[ . 1 . 2]" 1
269 1 36 ASN HA 1 38 LYS H 0.000 . 4.700 4.549 4.025 4.784 0.084 18 0 "[ . 1 . 2]" 1
270 1 36 ASN HB2 1 37 LEU H 0.000 . 5.830 3.510 1.969 4.219 . 0 0 "[ . 1 . 2]" 1
271 1 36 ASN HB3 1 37 LEU H 0.000 . 5.830 3.606 1.871 4.414 . 0 0 "[ . 1 . 2]" 1
272 1 36 ASN HD21 1 37 LEU H 0.000 . 5.500 4.333 2.279 5.174 . 0 0 "[ . 1 . 2]" 1
273 1 36 ASN HD22 1 37 LEU QD 0.000 . 8.700 6.195 5.173 6.522 . 0 0 "[ . 1 . 2]" 1
274 1 36 ASN OD1 1 38 LYS H 0.000 . 2.400 2.324 1.768 2.524 0.124 9 0 "[ . 1 . 2]" 1
275 1 37 LEU H 1 38 LYS H 0.000 . 4.200 2.466 2.034 2.958 . 0 0 "[ . 1 . 2]" 1
276 1 37 LEU HA 1 38 LYS H 0.000 . 3.430 2.976 2.501 3.438 0.008 10 0 "[ . 1 . 2]" 1
277 1 37 LEU QD 1 38 LYS H 0.000 . 8.130 4.353 3.871 4.773 . 0 0 "[ . 1 . 2]" 1
278 1 37 LEU MD1 1 38 LYS H 0.000 . 8.520 5.045 3.934 5.825 . 0 0 "[ . 1 . 2]" 1
279 1 37 LEU MD2 1 38 LYS H 0.000 . 8.520 5.046 4.157 5.890 . 0 0 "[ . 1 . 2]" 1
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