NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441227 |
2kam   |
16028 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kam
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 270
_Distance_constraint_stats_list.Viol_count 1484
_Distance_constraint_stats_list.Viol_total 3822.239
_Distance_constraint_stats_list.Viol_max 0.473
_Distance_constraint_stats_list.Viol_rms 0.0805
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0354
_Distance_constraint_stats_list.Viol_average_violations_only 0.1288
_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 ALA 1.480 0.104 3 0 "[ . 1 . 2]"
1 3 GLN 16.317 0.368 18 0 "[ . 1 . 2]"
1 4 ASP 13.840 0.368 18 0 "[ . 1 . 2]"
1 5 ILE 7.804 0.218 16 0 "[ . 1 . 2]"
1 6 ILE 1.391 0.143 18 0 "[ . 1 . 2]"
1 7 SER 7.803 0.201 6 0 "[ . 1 . 2]"
1 8 THR 6.420 0.214 5 0 "[ . 1 . 2]"
1 9 ILE 20.571 0.457 5 0 "[ . 1 . 2]"
1 10 GLY 16.466 0.457 5 0 "[ . 1 . 2]"
1 11 ASP 8.704 0.215 11 0 "[ . 1 . 2]"
1 12 LEU 15.773 0.404 16 0 "[ . 1 . 2]"
1 13 VAL 9.748 0.237 18 0 "[ . 1 . 2]"
1 14 LYS 11.478 0.327 6 0 "[ . 1 . 2]"
1 15 TRP 37.132 0.473 4 0 "[ . 1 . 2]"
1 16 ILE 14.855 0.327 6 0 "[ . 1 . 2]"
1 17 ILE 11.540 0.322 20 0 "[ . 1 . 2]"
1 18 ASP 0.738 0.070 16 0 "[ . 1 . 2]"
1 19 THR 13.784 0.322 20 0 "[ . 1 . 2]"
1 20 VAL 6.186 0.217 15 0 "[ . 1 . 2]"
1 21 ASN 11.234 0.248 4 0 "[ . 1 . 2]"
1 22 LYS 7.484 0.367 7 0 "[ . 1 . 2]"
1 23 PHE 5.281 0.213 18 0 "[ . 1 . 2]"
1 24 THR 4.165 0.357 13 0 "[ . 1 . 2]"
1 25 LYS 7.690 0.384 4 0 "[ . 1 . 2]"
1 26 LYS 4.171 0.366 12 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 ALA H 1 2 ALA HA 2.600 . 2.800 2.813 2.797 2.838 0.038 19 0 "[ . 1 . 2]" 1
2 1 2 ALA H 1 2 ALA MB 3.000 . 3.800 2.232 2.208 2.247 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 3 GLN H 2.100 . 2.800 2.748 2.606 2.801 0.001 16 0 "[ . 1 . 2]" 1
4 1 2 ALA HA 1 3 GLN H 6.000 . 6.000 3.555 3.530 3.570 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA HA 1 5 ILE H 6.000 . 6.000 3.754 3.525 3.868 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 5 ILE HB 2.400 . 2.800 2.861 2.831 2.904 0.104 3 0 "[ . 1 . 2]" 1
7 1 2 ALA HA 1 6 ILE H 6.000 . 6.000 4.015 3.892 4.311 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 3 GLN H 3.700 . 3.800 2.383 2.291 2.531 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLN H 1 3 GLN HA 2.300 . 2.800 2.822 2.795 2.833 0.033 10 0 "[ . 1 . 2]" 1
10 1 3 GLN H 1 3 GLN HB2 2.300 . 2.800 2.222 2.121 2.291 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLN H 1 3 GLN HG2 2.800 . 3.800 3.197 2.548 3.886 0.086 8 0 "[ . 1 . 2]" 1
12 1 3 GLN H 1 3 GLN HG3 3.700 . 3.800 3.319 2.431 3.868 0.068 8 0 "[ . 1 . 2]" 1
13 1 3 GLN H 1 4 ASP H 1.900 . 2.800 2.726 2.702 2.752 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLN HA 1 3 GLN HB2 2.300 . 2.800 2.987 2.966 2.996 0.196 2 0 "[ . 1 . 2]" 1
15 1 3 GLN HA 1 3 GLN HB3 2.500 . 2.800 2.621 2.566 2.712 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLN HA 1 3 GLN HG2 3.100 . 3.800 2.692 2.347 3.581 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLN HA 1 4 ASP H 3.900 . 5.000 3.537 3.524 3.552 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLN HA 1 6 ILE H 6.000 . 6.000 3.598 3.476 3.681 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLN HA 1 6 ILE HB 2.400 . 2.800 2.745 2.637 2.865 0.065 8 0 "[ . 1 . 2]" 1
20 1 3 GLN HB2 1 3 GLN HG2 2.300 . 2.800 2.677 2.453 3.008 0.208 20 0 "[ . 1 . 2]" 1
21 1 3 GLN HB2 1 3 GLN HG3 2.500 . 2.800 2.511 2.372 3.012 0.212 19 0 "[ . 1 . 2]" 1
22 1 3 GLN HB3 1 3 GLN HG2 2.200 . 2.800 2.733 2.445 3.017 0.217 17 0 "[ . 1 . 2]" 1
23 1 3 GLN HB3 1 3 GLN HG3 2.700 . 2.800 2.686 2.462 3.015 0.215 18 0 "[ . 1 . 2]" 1
24 1 3 GLN HB3 1 4 ASP H 2.600 . 2.800 3.089 3.008 3.168 0.368 18 0 "[ . 1 . 2]" 1
25 1 3 GLN HG2 1 4 ASP H 6.000 . 6.000 4.682 4.423 4.975 . 0 0 "[ . 1 . 2]" 1
26 1 4 ASP H 1 4 ASP HA 2.400 . 2.800 2.785 2.773 2.796 . 0 0 "[ . 1 . 2]" 1
27 1 4 ASP H 1 4 ASP HB2 2.600 . 2.800 2.527 2.486 2.580 . 0 0 "[ . 1 . 2]" 1
28 1 4 ASP H 1 4 ASP HB3 2.400 . 2.800 2.507 2.471 2.534 . 0 0 "[ . 1 . 2]" 1
29 1 4 ASP HA 1 4 ASP HB3 2.200 . 2.800 3.014 3.010 3.018 0.218 19 0 "[ . 1 . 2]" 1
30 1 4 ASP HA 1 7 SER H 6.000 . 6.000 3.288 3.229 3.352 . 0 0 "[ . 1 . 2]" 1
31 1 4 ASP HA 1 7 SER HB2 2.300 . 2.800 2.909 2.875 2.951 0.151 18 0 "[ . 1 . 2]" 1
32 1 4 ASP HA 1 7 SER HB3 2.500 . 2.800 2.551 2.386 2.667 . 0 0 "[ . 1 . 2]" 1
33 1 4 ASP HB2 1 5 ILE H 3.200 . 3.800 3.880 3.856 3.914 0.114 3 0 "[ . 1 . 2]" 1
34 1 5 ILE H 1 5 ILE HA 2.700 . 2.800 2.823 2.819 2.827 0.027 16 0 "[ . 1 . 2]" 1
35 1 5 ILE HA 1 5 ILE HB 2.200 . 2.800 3.011 3.006 3.018 0.218 16 0 "[ . 1 . 2]" 1
36 1 5 ILE HA 1 6 ILE H 3.400 . 3.800 3.545 3.537 3.550 . 0 0 "[ . 1 . 2]" 1
37 1 5 ILE HA 1 7 SER H 6.000 . 6.000 4.203 4.071 4.320 . 0 0 "[ . 1 . 2]" 1
38 1 5 ILE HA 1 8 THR H 2.800 . 3.800 3.354 3.260 3.448 . 0 0 "[ . 1 . 2]" 1
39 1 5 ILE HA 1 8 THR HB 2.400 . 2.800 2.794 2.663 2.896 0.096 16 0 "[ . 1 . 2]" 1
40 1 5 ILE HB 1 5 ILE MD 2.800 . 4.300 2.603 2.241 3.237 . 0 0 "[ . 1 . 2]" 1
41 1 5 ILE HB 1 6 ILE H 6.000 . 6.000 2.592 2.579 2.615 . 0 0 "[ . 1 . 2]" 1
42 1 6 ILE HA 1 7 SER H 6.000 . 6.000 3.495 3.469 3.512 . 0 0 "[ . 1 . 2]" 1
43 1 6 ILE HA 1 10 GLY H 6.000 . 6.000 4.738 4.431 5.236 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE HB 1 7 SER H 2.200 . 2.800 2.861 2.768 2.943 0.143 18 0 "[ . 1 . 2]" 1
45 1 6 ILE MD 1 6 ILE HG13 2.200 . 2.800 2.146 2.137 2.151 . 0 0 "[ . 1 . 2]" 1
46 1 6 ILE HG13 1 6 ILE MG 2.900 . 3.800 3.005 2.313 3.192 . 0 0 "[ . 1 . 2]" 1
47 1 7 SER H 1 7 SER HB3 2.300 . 2.800 2.786 2.723 2.820 0.020 19 0 "[ . 1 . 2]" 1
48 1 7 SER H 1 8 THR H 6.000 . 6.000 2.437 2.276 2.584 . 0 0 "[ . 1 . 2]" 1
49 1 7 SER HA 1 7 SER HB2 2.200 . 2.800 2.613 2.585 2.637 . 0 0 "[ . 1 . 2]" 1
50 1 7 SER HA 1 7 SER HB3 1.800 . 2.800 2.994 2.986 3.001 0.201 6 0 "[ . 1 . 2]" 1
51 1 7 SER HA 1 8 THR H 3.300 . 3.800 3.498 3.467 3.527 . 0 0 "[ . 1 . 2]" 1
52 1 7 SER HA 1 9 ILE H 6.000 . 6.000 4.505 4.351 4.619 . 0 0 "[ . 1 . 2]" 1
53 1 7 SER HA 1 10 GLY H 2.900 . 3.800 3.732 3.627 3.826 0.026 14 0 "[ . 1 . 2]" 1
54 1 7 SER HA 1 11 ASP H 6.000 . 6.000 4.133 3.955 4.392 . 0 0 "[ . 1 . 2]" 1
55 1 7 SER HB2 1 8 THR H 2.800 . 3.800 3.742 3.714 3.805 0.005 6 0 "[ . 1 . 2]" 1
56 1 7 SER HB3 1 8 THR H 2.500 . 2.800 2.803 2.699 2.905 0.105 18 0 "[ . 1 . 2]" 1
57 1 8 THR H 1 8 THR HB 2.300 . 2.800 2.482 2.462 2.611 . 0 0 "[ . 1 . 2]" 1
58 1 8 THR H 1 8 THR MG 3.200 . 3.800 3.733 3.722 3.739 . 0 0 "[ . 1 . 2]" 1
59 1 8 THR H 1 9 ILE H 2.200 . 2.800 2.802 2.758 2.844 0.044 14 0 "[ . 1 . 2]" 1
60 1 8 THR HA 1 8 THR HB 2.700 . 2.800 3.010 3.007 3.014 0.214 5 0 "[ . 1 . 2]" 1
61 1 8 THR HA 1 8 THR MG 2.500 . 2.800 2.341 2.273 2.358 . 0 0 "[ . 1 . 2]" 1
62 1 8 THR HA 1 9 ILE H 2.900 . 3.800 3.558 3.541 3.577 . 0 0 "[ . 1 . 2]" 1
63 1 8 THR HA 1 11 ASP H 2.800 . 3.800 3.444 3.339 3.495 . 0 0 "[ . 1 . 2]" 1
64 1 8 THR HA 1 11 ASP HB2 2.200 . 2.800 2.858 2.832 2.922 0.122 16 0 "[ . 1 . 2]" 1
65 1 8 THR HA 1 11 ASP HB3 2.600 . 2.800 2.796 2.687 2.840 0.040 5 0 "[ . 1 . 2]" 1
66 1 8 THR HA 1 12 LEU H 6.000 . 6.000 4.227 4.152 4.285 . 0 0 "[ . 1 . 2]" 1
67 1 8 THR HB 1 8 THR MG 2.400 . 2.800 2.141 2.136 2.144 . 0 0 "[ . 1 . 2]" 1
68 1 8 THR HB 1 9 ILE H 2.400 . 2.800 2.481 2.369 2.537 . 0 0 "[ . 1 . 2]" 1
69 1 8 THR MG 1 9 ILE H 6.000 . 6.000 3.304 3.258 3.458 . 0 0 "[ . 1 . 2]" 1
70 1 9 ILE H 1 9 ILE HA 2.200 . 2.800 2.811 2.781 2.826 0.026 9 0 "[ . 1 . 2]" 1
71 1 9 ILE H 1 10 GLY H 2.300 . 2.800 2.793 2.746 2.869 0.069 18 0 "[ . 1 . 2]" 1
72 1 9 ILE HA 1 11 ASP H 6.000 . 6.000 4.326 4.271 4.385 . 0 0 "[ . 1 . 2]" 1
73 1 9 ILE HA 1 12 LEU H 6.000 . 6.000 3.542 3.503 3.568 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE HA 1 12 LEU HB3 2.600 . 2.800 3.024 2.947 3.080 0.280 19 0 "[ . 1 . 2]" 1
75 1 9 ILE HA 1 13 VAL H 6.000 . 6.000 4.461 4.431 4.524 . 0 0 "[ . 1 . 2]" 1
76 1 9 ILE HB 1 9 ILE HG12 2.200 . 2.800 3.015 3.011 3.019 0.219 10 0 "[ . 1 . 2]" 1
77 1 9 ILE HB 1 9 ILE HG13 2.800 . 3.800 2.448 2.427 2.489 . 0 0 "[ . 1 . 2]" 1
78 1 9 ILE HB 1 10 GLY H 2.200 . 2.800 3.206 3.126 3.257 0.457 5 0 "[ . 1 . 2]" 1
79 1 9 ILE HG12 1 10 GLY H 2.700 . 2.800 2.741 2.604 2.923 0.123 18 0 "[ . 1 . 2]" 1
80 1 9 ILE MG 1 10 GLY H 3.200 . 3.800 3.937 3.909 3.959 0.159 6 0 "[ . 1 . 2]" 1
81 1 10 GLY H 1 10 GLY HA2 2.200 . 2.800 2.823 2.819 2.831 0.031 18 0 "[ . 1 . 2]" 1
82 1 10 GLY H 1 10 GLY HA3 2.200 . 2.800 2.315 2.310 2.323 . 0 0 "[ . 1 . 2]" 1
83 1 10 GLY H 1 11 ASP H 1.800 . 2.800 2.656 2.636 2.674 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLY H 1 12 LEU H 6.000 . 6.000 4.221 4.193 4.242 . 0 0 "[ . 1 . 2]" 1
85 1 10 GLY HA2 1 11 ASP H 2.900 . 3.800 3.538 3.527 3.550 . 0 0 "[ . 1 . 2]" 1
86 1 10 GLY HA2 1 12 LEU H 6.000 . 6.000 4.269 4.244 4.293 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLY HA2 1 13 VAL H 2.200 . 2.800 2.990 2.967 3.037 0.237 18 0 "[ . 1 . 2]" 1
88 1 10 GLY HA2 1 13 VAL HB 2.400 . 2.800 2.463 2.401 2.543 . 0 0 "[ . 1 . 2]" 1
89 1 10 GLY HA3 1 11 ASP H 6.000 . 6.000 2.897 2.871 2.915 . 0 0 "[ . 1 . 2]" 1
90 1 10 GLY HA3 1 13 VAL H 6.000 . 6.000 4.278 4.255 4.322 . 0 0 "[ . 1 . 2]" 1
91 1 10 GLY HA3 1 13 VAL HB 3.000 . 3.800 3.836 3.775 3.909 0.109 18 0 "[ . 1 . 2]" 1
92 1 11 ASP H 1 11 ASP HA 2.400 . 2.800 2.805 2.795 2.811 0.011 10 0 "[ . 1 . 2]" 1
93 1 11 ASP H 1 11 ASP HB3 2.300 . 2.800 2.721 2.680 2.751 . 0 0 "[ . 1 . 2]" 1
94 1 11 ASP H 1 12 LEU H 1.800 . 2.800 2.688 2.662 2.736 . 0 0 "[ . 1 . 2]" 1
95 1 11 ASP HA 1 11 ASP HB2 1.900 . 2.800 2.559 2.543 2.573 . 0 0 "[ . 1 . 2]" 1
96 1 11 ASP HA 1 11 ASP HB3 2.100 . 2.800 3.013 3.010 3.015 0.215 11 0 "[ . 1 . 2]" 1
97 1 11 ASP HA 1 12 LEU H 6.000 . 6.000 3.536 3.527 3.546 . 0 0 "[ . 1 . 2]" 1
98 1 11 ASP HA 1 13 VAL H 6.000 . 6.000 4.372 4.338 4.412 . 0 0 "[ . 1 . 2]" 1
99 1 11 ASP HA 1 14 LYS H 6.000 . 6.000 3.608 3.542 3.644 . 0 0 "[ . 1 . 2]" 1
100 1 11 ASP HA 1 14 LYS QB 2.300 . 2.800 2.950 2.918 2.996 0.196 17 0 "[ . 1 . 2]" 1
101 1 11 ASP HB2 1 12 LEU H 3.200 . 3.800 3.663 3.632 3.721 . 0 0 "[ . 1 . 2]" 1
102 1 11 ASP HB3 1 12 LEU H 2.600 . 2.800 2.451 2.409 2.507 . 0 0 "[ . 1 . 2]" 1
103 1 12 LEU H 1 12 LEU HA 2.300 . 2.800 2.829 2.824 2.835 0.035 8 0 "[ . 1 . 2]" 1
104 1 12 LEU H 1 12 LEU HB2 2.000 . 2.800 2.616 2.591 2.640 . 0 0 "[ . 1 . 2]" 1
105 1 12 LEU H 1 13 VAL H 6.000 . 6.000 2.673 2.652 2.696 . 0 0 "[ . 1 . 2]" 1
106 1 12 LEU HA 1 13 VAL H 2.800 . 3.800 3.567 3.561 3.574 . 0 0 "[ . 1 . 2]" 1
107 1 12 LEU HA 1 15 TRP H 6.000 . 6.000 3.301 3.278 3.328 . 0 0 "[ . 1 . 2]" 1
108 1 12 LEU HA 1 15 TRP HB2 2.400 . 2.800 2.223 2.192 2.260 . 0 0 "[ . 1 . 2]" 1
109 1 12 LEU HA 1 15 TRP HB3 2.300 . 2.800 3.165 3.123 3.204 0.404 16 0 "[ . 1 . 2]" 1
110 1 12 LEU HA 1 16 ILE H 2.800 . 3.800 3.970 3.897 4.051 0.251 17 0 "[ . 1 . 2]" 1
111 1 12 LEU HB2 1 13 VAL H 6.000 . 6.000 4.015 4.002 4.031 . 0 0 "[ . 1 . 2]" 1
112 1 13 VAL H 1 13 VAL HA 2.100 . 2.800 2.810 2.803 2.816 0.016 6 0 "[ . 1 . 2]" 1
113 1 13 VAL H 1 13 VAL HB 2.100 . 2.800 2.454 2.438 2.478 . 0 0 "[ . 1 . 2]" 1
114 1 13 VAL H 1 13 VAL MG1 2.800 . 3.800 3.747 3.742 3.753 . 0 0 "[ . 1 . 2]" 1
115 1 13 VAL H 1 13 VAL MG2 2.700 . 2.800 2.131 2.084 2.185 . 0 0 "[ . 1 . 2]" 1
116 1 13 VAL H 1 14 LYS H 6.000 . 6.000 2.738 2.715 2.755 . 0 0 "[ . 1 . 2]" 1
117 1 13 VAL HA 1 13 VAL HB 2.600 . 2.800 3.014 3.010 3.018 0.218 11 0 "[ . 1 . 2]" 1
118 1 13 VAL HA 1 13 VAL MG1 2.600 . 2.800 2.374 2.355 2.386 . 0 0 "[ . 1 . 2]" 1
119 1 13 VAL HA 1 13 VAL MG2 2.700 . 2.800 2.339 2.258 2.373 . 0 0 "[ . 1 . 2]" 1
120 1 13 VAL HA 1 14 LYS H 2.800 . 3.800 3.552 3.545 3.560 . 0 0 "[ . 1 . 2]" 1
121 1 13 VAL HA 1 16 ILE HB 6.000 . 6.000 3.258 2.979 3.467 . 0 0 "[ . 1 . 2]" 1
122 1 13 VAL HB 1 14 LYS H 2.600 . 2.800 2.461 2.427 2.480 . 0 0 "[ . 1 . 2]" 1
123 1 13 VAL MG1 1 13 VAL MG2 2.500 . 2.800 2.079 2.044 2.086 . 0 0 "[ . 1 . 2]" 1
124 1 13 VAL MG1 1 14 LYS H 3.600 . 3.800 3.220 3.166 3.251 . 0 0 "[ . 1 . 2]" 1
125 1 13 VAL MG2 1 14 LYS H 3.200 . 3.800 3.834 3.819 3.848 0.048 3 0 "[ . 1 . 2]" 1
126 1 14 LYS H 1 14 LYS HA 2.400 . 2.800 2.840 2.822 2.846 0.046 3 0 "[ . 1 . 2]" 1
127 1 14 LYS H 1 14 LYS QD 2.600 . 2.800 2.289 2.056 3.095 0.295 17 0 "[ . 1 . 2]" 1
128 1 14 LYS H 1 15 TRP H 6.000 . 6.000 2.659 2.635 2.680 . 0 0 "[ . 1 . 2]" 1
129 1 14 LYS H 1 16 ILE H 6.000 . 6.000 4.083 3.974 4.130 . 0 0 "[ . 1 . 2]" 1
130 1 14 LYS HA 1 14 LYS QD 2.700 . 2.800 2.507 2.081 2.858 0.058 16 0 "[ . 1 . 2]" 1
131 1 14 LYS HA 1 14 LYS QG 2.700 . 2.800 2.392 2.234 2.984 0.184 6 0 "[ . 1 . 2]" 1
132 1 14 LYS HA 1 15 TRP H 6.000 . 6.000 3.555 3.546 3.564 . 0 0 "[ . 1 . 2]" 1
133 1 14 LYS HA 1 16 ILE H 2.800 . 3.800 4.077 4.030 4.127 0.327 6 0 "[ . 1 . 2]" 1
134 1 14 LYS HA 1 17 ILE H 6.000 . 6.000 3.251 3.199 3.364 . 0 0 "[ . 1 . 2]" 1
135 1 14 LYS HA 1 17 ILE HB 6.000 . 6.000 2.844 2.705 3.198 . 0 0 "[ . 1 . 2]" 1
136 1 14 LYS HA 1 18 ASP H 6.000 . 6.000 4.047 3.946 4.227 . 0 0 "[ . 1 . 2]" 1
137 1 14 LYS QB 1 14 LYS QD 2.400 . 2.800 2.307 2.248 2.346 . 0 0 "[ . 1 . 2]" 1
138 1 14 LYS QB 1 15 TRP H 2.500 . 2.800 2.655 2.525 2.702 . 0 0 "[ . 1 . 2]" 1
139 1 15 TRP H 1 15 TRP HA 2.400 . 2.800 2.762 2.751 2.774 . 0 0 "[ . 1 . 2]" 1
140 1 15 TRP H 1 15 TRP HB2 2.400 . 2.800 1.979 1.967 1.987 . 0 0 "[ . 1 . 2]" 1
141 1 15 TRP H 1 15 TRP HB3 2.300 . 2.800 3.262 3.247 3.273 0.473 4 0 "[ . 1 . 2]" 1
142 1 15 TRP H 1 15 TRP HD1 2.600 . 2.800 3.045 3.018 3.071 0.271 13 0 "[ . 1 . 2]" 1
143 1 15 TRP H 1 16 ILE H 2.100 . 2.800 2.740 2.695 2.769 . 0 0 "[ . 1 . 2]" 1
144 1 15 TRP HA 1 15 TRP HB2 2.100 . 2.800 2.864 2.857 2.873 0.073 1 0 "[ . 1 . 2]" 1
145 1 15 TRP HA 1 15 TRP HB3 2.500 . 2.800 2.847 2.836 2.853 0.053 5 0 "[ . 1 . 2]" 1
146 1 15 TRP HA 1 15 TRP HD1 2.700 . 2.800 3.046 3.010 3.066 0.266 17 0 "[ . 1 . 2]" 1
147 1 15 TRP HA 1 15 TRP HE3 3.300 . 3.800 4.037 4.014 4.076 0.276 5 0 "[ . 1 . 2]" 1
148 1 15 TRP HA 1 16 ILE H 6.000 . 6.000 3.530 3.517 3.536 . 0 0 "[ . 1 . 2]" 1
149 1 15 TRP HA 1 18 ASP H 2.800 . 3.800 3.372 3.322 3.414 . 0 0 "[ . 1 . 2]" 1
150 1 15 TRP HA 1 18 ASP HB3 2.100 . 2.800 2.575 2.482 2.689 . 0 0 "[ . 1 . 2]" 1
151 1 15 TRP HB2 1 15 TRP HD1 2.800 . 3.800 2.703 2.689 2.721 . 0 0 "[ . 1 . 2]" 1
152 1 15 TRP HB2 1 15 TRP HE3 3.000 . 3.800 3.977 3.957 3.994 0.194 16 0 "[ . 1 . 2]" 1
153 1 15 TRP HB2 1 16 ILE H 3.200 . 3.800 3.196 3.167 3.238 . 0 0 "[ . 1 . 2]" 1
154 1 15 TRP HB3 1 15 TRP HD1 3.600 . 3.800 3.813 3.806 3.822 0.022 19 0 "[ . 1 . 2]" 1
155 1 15 TRP HB3 1 15 TRP HE3 2.600 . 2.800 2.492 2.471 2.513 . 0 0 "[ . 1 . 2]" 1
156 1 15 TRP HB3 1 16 ILE H 6.000 . 6.000 3.138 3.085 3.237 . 0 0 "[ . 1 . 2]" 1
157 1 16 ILE H 1 16 ILE HA 2.300 . 2.800 2.842 2.833 2.848 0.048 15 0 "[ . 1 . 2]" 1
158 1 16 ILE H 1 16 ILE HB 2.000 . 2.800 2.375 2.284 2.407 . 0 0 "[ . 1 . 2]" 1
159 1 16 ILE H 1 17 ILE H 6.000 . 6.000 2.640 2.616 2.672 . 0 0 "[ . 1 . 2]" 1
160 1 16 ILE HA 1 16 ILE HB 2.100 . 2.800 3.007 3.000 3.012 0.212 11 0 "[ . 1 . 2]" 1
161 1 16 ILE HA 1 17 ILE H 6.000 . 6.000 3.539 3.532 3.552 . 0 0 "[ . 1 . 2]" 1
162 1 16 ILE HA 1 19 THR H 3.100 . 3.800 3.355 3.276 3.434 . 0 0 "[ . 1 . 2]" 1
163 1 16 ILE HA 1 19 THR HB 2.500 . 2.800 2.846 2.821 2.872 0.072 13 0 "[ . 1 . 2]" 1
164 1 16 ILE HA 1 20 VAL H 6.000 . 6.000 4.214 4.092 4.326 . 0 0 "[ . 1 . 2]" 1
165 1 16 ILE HB 1 17 ILE H 2.100 . 2.800 2.593 2.560 2.635 . 0 0 "[ . 1 . 2]" 1
166 1 17 ILE H 1 17 ILE HB 2.000 . 2.800 2.458 2.408 2.630 . 0 0 "[ . 1 . 2]" 1
167 1 17 ILE H 1 18 ASP H 6.000 . 6.000 2.573 2.540 2.615 . 0 0 "[ . 1 . 2]" 1
168 1 17 ILE HA 1 17 ILE HB 2.700 . 2.800 3.014 3.010 3.018 0.218 16 0 "[ . 1 . 2]" 1
169 1 17 ILE HA 1 18 ASP H 6.000 . 6.000 3.503 3.488 3.518 . 0 0 "[ . 1 . 2]" 1
170 1 17 ILE HA 1 19 THR H 3.100 . 3.800 4.091 4.071 4.122 0.322 20 0 "[ . 1 . 2]" 1
171 1 17 ILE HA 1 20 VAL H 2.800 . 3.800 3.399 3.313 3.465 . 0 0 "[ . 1 . 2]" 1
172 1 17 ILE HA 1 20 VAL HB 6.000 . 6.000 2.906 2.801 2.995 . 0 0 "[ . 1 . 2]" 1
173 1 17 ILE HA 1 21 ASN H 3.000 . 3.800 3.872 3.841 3.923 0.123 20 0 "[ . 1 . 2]" 1
174 1 17 ILE HB 1 18 ASP H 2.400 . 2.800 2.551 2.491 2.586 . 0 0 "[ . 1 . 2]" 1
175 1 17 ILE HG13 1 18 ASP H 4.400 . 5.000 4.340 3.975 4.819 . 0 0 "[ . 1 . 2]" 1
176 1 17 ILE MG 1 18 ASP H 6.000 . 6.000 3.375 3.299 3.608 . 0 0 "[ . 1 . 2]" 1
177 1 18 ASP H 1 18 ASP HA 2.400 . 2.800 2.810 2.804 2.815 0.015 19 0 "[ . 1 . 2]" 1
178 1 18 ASP H 1 18 ASP HB2 2.700 . 2.800 2.348 2.323 2.390 . 0 0 "[ . 1 . 2]" 1
179 1 18 ASP H 1 18 ASP HB3 2.400 . 2.800 2.670 2.603 2.702 . 0 0 "[ . 1 . 2]" 1
180 1 18 ASP H 1 19 THR H 2.800 . 3.800 2.622 2.598 2.644 . 0 0 "[ . 1 . 2]" 1
181 1 18 ASP H 1 20 VAL H 6.000 . 6.000 4.346 4.297 4.396 . 0 0 "[ . 1 . 2]" 1
182 1 18 ASP HA 1 18 ASP HB2 2.300 . 2.800 2.549 2.519 2.567 . 0 0 "[ . 1 . 2]" 1
183 1 18 ASP HA 1 19 THR H 6.000 . 6.000 3.517 3.508 3.525 . 0 0 "[ . 1 . 2]" 1
184 1 18 ASP HA 1 20 VAL H 6.000 . 6.000 4.682 4.612 4.718 . 0 0 "[ . 1 . 2]" 1
185 1 18 ASP HA 1 21 ASN H 6.000 . 6.000 3.680 3.601 3.750 . 0 0 "[ . 1 . 2]" 1
186 1 18 ASP HA 1 21 ASN HB2 6.000 . 6.000 3.583 3.222 3.728 . 0 0 "[ . 1 . 2]" 1
187 1 18 ASP HA 1 21 ASN HB3 2.700 . 2.800 2.695 2.572 2.779 . 0 0 "[ . 1 . 2]" 1
188 1 18 ASP HB2 1 19 THR H 3.100 . 3.800 3.827 3.809 3.870 0.070 16 0 "[ . 1 . 2]" 1
189 1 18 ASP HB3 1 19 THR H 2.600 . 2.800 2.735 2.704 2.765 . 0 0 "[ . 1 . 2]" 1
190 1 19 THR H 1 19 THR HA 2.500 . 2.800 2.855 2.844 2.867 0.067 16 0 "[ . 1 . 2]" 1
191 1 19 THR H 1 19 THR HB 2.300 . 2.800 2.550 2.469 2.633 . 0 0 "[ . 1 . 2]" 1
192 1 19 THR H 1 19 THR MG 3.100 . 3.800 3.759 3.748 3.768 . 0 0 "[ . 1 . 2]" 1
193 1 19 THR H 1 20 VAL H 2.500 . 2.800 2.636 2.593 2.681 . 0 0 "[ . 1 . 2]" 1
194 1 19 THR HA 1 19 THR HB 2.400 . 2.800 3.009 3.004 3.012 0.212 14 0 "[ . 1 . 2]" 1
195 1 19 THR HA 1 19 THR MG 2.300 . 2.800 2.291 2.240 2.334 . 0 0 "[ . 1 . 2]" 1
196 1 19 THR HA 1 20 VAL H 6.000 . 6.000 3.554 3.547 3.560 . 0 0 "[ . 1 . 2]" 1
197 1 19 THR HA 1 21 ASN H 6.000 . 6.000 4.521 4.481 4.557 . 0 0 "[ . 1 . 2]" 1
198 1 19 THR HA 1 22 LYS H 6.000 . 6.000 3.513 3.381 3.623 . 0 0 "[ . 1 . 2]" 1
199 1 19 THR HA 1 22 LYS HB2 2.500 . 2.800 2.846 2.635 2.940 0.140 16 0 "[ . 1 . 2]" 1
200 1 19 THR HA 1 22 LYS HB3 6.000 . 6.000 4.313 2.910 4.541 . 0 0 "[ . 1 . 2]" 1
201 1 19 THR HB 1 19 THR MG 2.400 . 2.800 2.144 2.140 2.149 . 0 0 "[ . 1 . 2]" 1
202 1 19 THR HB 1 20 VAL H 6.000 . 6.000 2.478 2.407 2.547 . 0 0 "[ . 1 . 2]" 1
203 1 19 THR MG 1 20 VAL H 6.000 . 6.000 3.427 3.305 3.543 . 0 0 "[ . 1 . 2]" 1
204 1 20 VAL H 1 20 VAL HA 2.200 . 2.800 2.826 2.821 2.832 0.032 5 0 "[ . 1 . 2]" 1
205 1 20 VAL H 1 20 VAL HB 2.000 . 2.800 2.439 2.424 2.448 . 0 0 "[ . 1 . 2]" 1
206 1 20 VAL H 1 20 VAL MG1 3.000 . 3.800 3.742 3.737 3.745 . 0 0 "[ . 1 . 2]" 1
207 1 20 VAL H 1 20 VAL MG2 2.700 . 2.800 2.161 2.133 2.206 . 0 0 "[ . 1 . 2]" 1
208 1 20 VAL H 1 21 ASN H 1.800 . 2.800 2.623 2.602 2.641 . 0 0 "[ . 1 . 2]" 1
209 1 20 VAL HA 1 20 VAL HB 2.500 . 2.800 3.011 3.009 3.017 0.217 15 0 "[ . 1 . 2]" 1
210 1 20 VAL HA 1 20 VAL MG2 2.700 . 2.800 2.310 2.254 2.359 . 0 0 "[ . 1 . 2]" 1
211 1 20 VAL HA 1 21 ASN H 6.000 . 6.000 3.530 3.526 3.540 . 0 0 "[ . 1 . 2]" 1
212 1 20 VAL HA 1 23 PHE H 6.000 . 6.000 3.353 3.177 3.986 . 0 0 "[ . 1 . 2]" 1
213 1 20 VAL HA 1 23 PHE HB2 2.600 . 2.800 2.641 2.352 2.935 0.135 15 0 "[ . 1 . 2]" 1
214 1 20 VAL HB 1 20 VAL MG2 2.300 . 2.800 2.147 2.144 2.150 . 0 0 "[ . 1 . 2]" 1
215 1 20 VAL HB 1 21 ASN H 2.300 . 2.800 2.547 2.521 2.566 . 0 0 "[ . 1 . 2]" 1
216 1 20 VAL MG1 1 20 VAL MG2 1.900 . 2.800 2.072 2.049 2.086 . 0 0 "[ . 1 . 2]" 1
217 1 20 VAL MG1 1 21 ASN H 2.900 . 3.800 3.329 3.299 3.356 . 0 0 "[ . 1 . 2]" 1
218 1 20 VAL MG2 1 21 ASN H 3.500 . 3.800 3.843 3.832 3.853 0.053 6 0 "[ . 1 . 2]" 1
219 1 21 ASN H 1 21 ASN HA 2.400 . 2.800 2.810 2.801 2.816 0.016 19 0 "[ . 1 . 2]" 1
220 1 21 ASN H 1 21 ASN HB3 2.400 . 2.800 2.538 2.480 2.696 . 0 0 "[ . 1 . 2]" 1
221 1 21 ASN H 1 22 LYS H 6.000 . 6.000 2.684 2.638 2.767 . 0 0 "[ . 1 . 2]" 1
222 1 21 ASN HA 1 21 ASN HB2 2.600 . 2.800 2.461 2.435 2.541 . 0 0 "[ . 1 . 2]" 1
223 1 21 ASN HA 1 21 ASN HB3 1.900 . 2.800 3.009 3.002 3.012 0.212 16 0 "[ . 1 . 2]" 1
224 1 21 ASN HA 1 21 ASN HD21 2.900 . 3.800 3.769 1.876 3.899 0.099 4 0 "[ . 1 . 2]" 1
225 1 21 ASN HB2 1 21 ASN HD21 3.500 . 3.800 2.493 2.262 3.512 . 0 0 "[ . 1 . 2]" 1
226 1 21 ASN HB2 1 21 ASN HD22 3.100 . 3.800 3.610 3.512 4.048 0.248 4 0 "[ . 1 . 2]" 1
227 1 21 ASN HB2 1 22 LYS H 3.000 . 3.800 3.842 3.665 3.888 0.088 11 0 "[ . 1 . 2]" 1
228 1 21 ASN HB3 1 21 ASN HD21 2.800 . 3.800 3.034 2.288 3.496 . 0 0 "[ . 1 . 2]" 1
229 1 21 ASN HB3 1 21 ASN HD22 3.400 . 3.800 3.832 3.506 4.037 0.237 11 0 "[ . 1 . 2]" 1
230 1 21 ASN HB3 1 22 LYS H 2.900 . 3.800 2.556 2.410 2.595 . 0 0 "[ . 1 . 2]" 1
231 1 22 LYS H 1 22 LYS HB2 2.600 . 2.800 2.347 2.281 2.406 . 0 0 "[ . 1 . 2]" 1
232 1 22 LYS H 1 22 LYS HE3 6.000 . 6.000 4.563 3.759 5.218 . 0 0 "[ . 1 . 2]" 1
233 1 22 LYS H 1 22 LYS QG 2.900 . 3.800 2.667 2.438 3.906 0.106 16 0 "[ . 1 . 2]" 1
234 1 22 LYS HA 1 22 LYS HB2 2.400 . 2.800 2.965 2.599 3.012 0.212 9 0 "[ . 1 . 2]" 1
235 1 22 LYS HA 1 22 LYS HB3 2.400 . 2.800 2.577 2.493 3.003 0.203 16 0 "[ . 1 . 2]" 1
236 1 22 LYS HA 1 24 THR H 6.000 . 6.000 3.809 3.161 4.443 . 0 0 "[ . 1 . 2]" 1
237 1 22 LYS HA 1 25 LYS H 6.000 . 6.000 4.242 3.012 6.050 0.050 2 0 "[ . 1 . 2]" 1
238 1 22 LYS HB2 1 22 LYS HE3 2.700 . 2.800 2.581 2.308 3.167 0.367 7 0 "[ . 1 . 2]" 1
239 1 23 PHE H 1 23 PHE HA 2.300 . 2.800 2.817 2.742 2.902 0.102 3 0 "[ . 1 . 2]" 1
240 1 23 PHE H 1 23 PHE HB2 2.300 . 2.800 2.521 2.349 2.655 . 0 0 "[ . 1 . 2]" 1
241 1 23 PHE H 1 23 PHE HB3 2.700 . 2.900 2.579 2.490 2.790 . 0 0 "[ . 1 . 2]" 1
242 1 23 PHE H 1 24 THR H 1.800 . 2.800 2.709 2.472 2.803 0.003 10 0 "[ . 1 . 2]" 1
243 1 23 PHE HA 1 23 PHE HB2 2.300 . 2.800 2.474 2.430 2.541 . 0 0 "[ . 1 . 2]" 1
244 1 23 PHE HA 1 23 PHE HB3 2.600 . 2.800 3.010 3.006 3.013 0.213 18 0 "[ . 1 . 2]" 1
245 1 23 PHE HA 1 23 PHE QD 2.900 . 3.800 2.602 2.418 2.989 . 0 0 "[ . 1 . 2]" 1
246 1 23 PHE HA 1 24 THR H 3.100 . 3.800 3.455 3.109 3.567 . 0 0 "[ . 1 . 2]" 1
247 1 23 PHE HA 1 25 LYS H 6.000 . 6.000 4.048 3.097 5.761 . 0 0 "[ . 1 . 2]" 1
248 1 23 PHE HB2 1 24 THR H 3.800 . 5.000 4.004 3.758 4.487 . 0 0 "[ . 1 . 2]" 1
249 1 23 PHE HB3 1 24 THR H 3.200 . 3.800 2.873 2.449 3.836 0.036 4 0 "[ . 1 . 2]" 1
250 1 24 THR H 1 24 THR MG 3.400 . 3.800 2.842 1.782 4.025 0.225 17 0 "[ . 1 . 2]" 1
251 1 24 THR H 1 25 LYS H 2.200 . 2.800 2.789 2.090 3.060 0.260 14 0 "[ . 1 . 2]" 1
252 1 24 THR HA 1 25 LYS H 2.300 . 2.800 2.843 2.346 3.157 0.357 13 0 "[ . 1 . 2]" 1
253 1 25 LYS H 1 25 LYS HA 2.200 . 2.800 2.838 2.322 2.962 0.162 8 0 "[ . 1 . 2]" 1
254 1 25 LYS H 1 25 LYS QB 2.200 . 2.800 2.502 2.240 3.184 0.384 4 0 "[ . 1 . 2]" 1
255 1 25 LYS H 1 25 LYS HD2 6.000 . 6.000 4.641 4.031 5.007 . 0 0 "[ . 1 . 2]" 1
256 1 25 LYS HA 1 25 LYS HD2 2.500 . 2.800 2.582 2.231 2.881 0.081 2 0 "[ . 1 . 2]" 1
257 1 25 LYS HA 1 25 LYS HD3 2.600 . 2.800 2.486 2.244 2.933 0.133 18 0 "[ . 1 . 2]" 1
258 1 25 LYS HA 1 25 LYS HG3 3.100 . 3.800 3.482 2.849 3.775 . 0 0 "[ . 1 . 2]" 1
259 1 25 LYS HA 1 26 LYS H 6.000 . 6.000 2.858 2.151 3.564 . 0 0 "[ . 1 . 2]" 1
260 1 25 LYS QB 1 25 LYS HD2 2.400 . 2.800 2.556 2.283 3.018 0.218 9 0 "[ . 1 . 2]" 1
261 1 25 LYS QB 1 25 LYS HG2 2.200 . 2.800 2.328 2.187 2.423 . 0 0 "[ . 1 . 2]" 1
262 1 25 LYS QB 1 25 LYS HG3 2.400 . 2.800 2.273 2.192 2.428 . 0 0 "[ . 1 . 2]" 1
263 1 26 LYS H 1 26 LYS HA 2.300 . 2.800 2.772 2.326 2.908 0.108 20 0 "[ . 1 . 2]" 1
264 1 26 LYS H 1 26 LYS QD 3.400 . 3.800 3.740 2.102 4.166 0.366 12 0 "[ . 1 . 2]" 1
265 1 26 LYS HA 1 26 LYS HB3 2.400 . 2.800 2.502 2.346 2.623 . 0 0 "[ . 1 . 2]" 1
266 1 26 LYS HA 1 26 LYS QG 2.900 . 3.800 2.469 2.304 3.310 . 0 0 "[ . 1 . 2]" 1
267 1 26 LYS HB2 1 26 LYS QE 3.100 . 3.800 3.628 2.281 4.140 0.340 14 0 "[ . 1 . 2]" 1
268 1 26 LYS HB2 1 26 LYS QG 2.400 . 2.800 2.377 2.353 2.434 . 0 0 "[ . 1 . 2]" 1
269 1 26 LYS HB3 1 26 LYS QE 4.300 . 5.000 3.728 2.222 4.412 . 0 0 "[ . 1 . 2]" 1
270 1 26 LYS HB3 1 26 LYS QG 2.700 . 2.800 2.343 2.198 2.376 . 0 0 "[ . 1 . 2]" 1
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