NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426629 |
2hep   |
7225 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hep
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 511
_Distance_constraint_stats_list.Viol_count 228
_Distance_constraint_stats_list.Viol_total 196.791
_Distance_constraint_stats_list.Viol_max 0.201
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0432
_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 ILE 0.689 0.086 20 0 "[ . 1 . 2]"
1 3 SER 0.147 0.039 9 0 "[ . 1 . 2]"
1 4 ASN 0.559 0.070 20 0 "[ . 1 . 2]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.315 0.086 20 0 "[ . 1 . 2]"
1 7 ILE 0.805 0.078 6 0 "[ . 1 . 2]"
1 8 ALA 0.575 0.104 7 0 "[ . 1 . 2]"
1 9 ARG 0.085 0.035 6 0 "[ . 1 . 2]"
1 10 ILE 0.364 0.049 19 0 "[ . 1 . 2]"
1 11 ASN 0.962 0.104 7 0 "[ . 1 . 2]"
1 12 GLU 0.023 0.015 4 0 "[ . 1 . 2]"
1 13 LEU 0.222 0.070 6 0 "[ . 1 . 2]"
1 14 ALA 0.070 0.049 19 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 2.613 0.169 14 0 "[ . 1 . 2]"
1 17 ALA 1.260 0.165 5 0 "[ . 1 . 2]"
1 18 LYS 2.573 0.169 14 0 "[ . 1 . 2]"
1 19 ALA 0.264 0.058 9 0 "[ . 1 . 2]"
1 20 GLY 0.371 0.100 14 0 "[ . 1 . 2]"
1 21 VAL 1.385 0.165 5 0 "[ . 1 . 2]"
1 22 ILE 1.383 0.142 8 0 "[ . 1 . 2]"
1 23 THR 0.119 0.074 4 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.132 0.070 6 0 "[ . 1 . 2]"
1 27 LYS 0.415 0.070 2 0 "[ . 1 . 2]"
1 28 ALA 0.078 0.037 13 0 "[ . 1 . 2]"
1 29 GLU 0.214 0.050 9 0 "[ . 1 . 2]"
1 30 GLN 0.250 0.050 9 0 "[ . 1 . 2]"
1 31 GLN 0.109 0.031 6 0 "[ . 1 . 2]"
1 32 LYS 0.111 0.053 8 0 "[ . 1 . 2]"
1 33 LEU 0.267 0.045 19 0 "[ . 1 . 2]"
1 34 ARG 0.245 0.125 2 0 "[ . 1 . 2]"
1 35 GLN 0.205 0.057 10 0 "[ . 1 . 2]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TYR 0.720 0.167 11 0 "[ . 1 . 2]"
1 38 LEU 0.925 0.201 11 0 "[ . 1 . 2]"
1 39 LYS 0.065 0.065 17 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.589 0.201 11 0 "[ . 1 . 2]"
1 42 ARG 0.064 0.047 1 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 ILE HA 1 2 ILE MD 4.000 . 5.000 3.271 2.048 3.909 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE HA 1 3 SER H 4.000 . 5.000 2.925 2.145 3.569 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE HB 1 3 SER H 4.000 . 5.000 3.488 1.911 4.510 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE HG12 1 3 SER H 4.000 . 5.000 4.143 1.981 5.005 0.005 1 0 "[ . 1 . 2]" 1
5 1 2 ILE HG13 1 3 SER H 4.000 . 5.000 4.166 2.338 5.039 0.039 9 0 "[ . 1 . 2]" 1
6 1 2 ILE QG 1 6 LYS QB 4.000 . 5.000 4.657 2.295 5.086 0.086 20 0 "[ . 1 . 2]" 1
7 1 2 ILE MG 1 3 SER H 4.000 . 5.000 2.894 1.794 4.217 0.006 13 0 "[ . 1 . 2]" 1
8 1 2 ILE MG 1 4 ASN HD22 4.000 . 5.000 3.510 2.002 5.037 0.037 6 0 "[ . 1 . 2]" 1
9 1 2 ILE MG 1 6 LYS QB 4.000 . 5.000 3.147 2.148 4.877 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE MG 1 6 LYS QD 4.000 . 5.000 3.847 2.177 5.021 0.021 4 0 "[ . 1 . 2]" 1
11 1 2 ILE MG 1 7 ILE H 4.000 . 5.000 4.195 3.264 5.013 0.013 20 0 "[ . 1 . 2]" 1
12 1 2 ILE MG 1 7 ILE QG 4.000 . 5.000 4.008 2.156 4.865 . 0 0 "[ . 1 . 2]" 1
13 1 2 ILE MD 1 4 ASN HD22 4.000 . 5.000 4.440 2.128 5.033 0.033 8 0 "[ . 1 . 2]" 1
14 1 2 ILE MD 1 6 LYS QB 4.000 . 5.000 4.384 3.136 5.024 0.024 3 0 "[ . 1 . 2]" 1
15 1 3 SER H 1 3 SER HB2 4.000 . 5.000 3.649 2.763 4.044 . 0 0 "[ . 1 . 2]" 1
16 1 3 SER H 1 3 SER HB3 4.000 . 5.000 3.403 2.424 4.046 . 0 0 "[ . 1 . 2]" 1
17 1 4 ASN HA 1 7 ILE H 4.000 . 5.000 4.405 3.294 5.070 0.070 20 0 "[ . 1 . 2]" 1
18 1 4 ASN HD22 1 7 ILE MD 4.000 . 5.000 4.652 3.789 5.065 0.065 12 0 "[ . 1 . 2]" 1
19 1 5 ALA HA 1 8 ALA H 4.000 . 5.000 3.646 3.328 4.562 . 0 0 "[ . 1 . 2]" 1
20 1 5 ALA HA 1 8 ALA MB 4.000 . 5.000 2.772 2.230 3.523 . 0 0 "[ . 1 . 2]" 1
21 1 5 ALA HA 1 9 ARG H 4.000 . 5.000 4.156 3.703 4.544 . 0 0 "[ . 1 . 2]" 1
22 1 5 ALA MB 1 6 LYS H 4.000 . 5.000 2.913 2.187 3.208 . 0 0 "[ . 1 . 2]" 1
23 1 6 LYS H 1 6 LYS HB2 4.000 . 5.000 2.386 2.085 2.774 . 0 0 "[ . 1 . 2]" 1
24 1 6 LYS H 1 6 LYS HB3 4.000 . 5.000 3.082 2.339 3.602 . 0 0 "[ . 1 . 2]" 1
25 1 6 LYS H 1 6 LYS HG2 4.000 . 5.000 3.865 2.139 4.668 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS H 1 6 LYS HG3 4.000 . 5.000 3.755 2.156 4.485 . 0 0 "[ . 1 . 2]" 1
27 1 6 LYS H 1 7 ILE H 3.000 . 3.500 2.699 2.530 2.993 . 0 0 "[ . 1 . 2]" 1
28 1 6 LYS H 1 7 ILE HB 4.000 . 5.000 4.752 4.592 4.923 . 0 0 "[ . 1 . 2]" 1
29 1 6 LYS HA 1 6 LYS HG2 4.000 . 5.000 2.821 2.217 3.632 . 0 0 "[ . 1 . 2]" 1
30 1 6 LYS HA 1 6 LYS HG3 4.000 . 5.000 2.790 2.249 3.749 . 0 0 "[ . 1 . 2]" 1
31 1 6 LYS HA 1 6 LYS HD2 4.000 . 5.000 4.007 2.334 4.754 . 0 0 "[ . 1 . 2]" 1
32 1 6 LYS HA 1 6 LYS HD3 4.000 . 5.000 3.923 2.263 4.831 . 0 0 "[ . 1 . 2]" 1
33 1 6 LYS HA 1 9 ARG H 4.000 . 5.000 3.522 3.294 3.814 . 0 0 "[ . 1 . 2]" 1
34 1 6 LYS HA 1 9 ARG HB2 4.000 . 5.000 3.260 2.219 3.920 . 0 0 "[ . 1 . 2]" 1
35 1 6 LYS HA 1 9 ARG HB3 4.000 . 5.000 2.972 2.381 3.636 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS HA 1 10 ILE H 4.000 . 5.000 4.105 3.796 4.581 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS QB 1 7 ILE H 4.000 . 5.000 2.381 1.901 2.830 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS QB 1 7 ILE HB 4.000 . 5.000 4.569 3.910 5.012 0.012 3 0 "[ . 1 . 2]" 1
39 1 6 LYS QB 1 7 ILE MD 4.000 . 5.000 3.282 2.162 4.847 . 0 0 "[ . 1 . 2]" 1
40 1 7 ILE H 1 7 ILE HB 4.000 . 5.000 2.468 2.266 2.662 . 0 0 "[ . 1 . 2]" 1
41 1 7 ILE H 1 7 ILE HG12 4.000 . 5.000 3.181 1.923 3.948 . 0 0 "[ . 1 . 2]" 1
42 1 7 ILE H 1 7 ILE HG13 4.000 . 5.000 3.051 1.910 3.805 . 0 0 "[ . 1 . 2]" 1
43 1 7 ILE H 1 7 ILE MG 4.000 . 5.000 3.735 3.683 3.759 . 0 0 "[ . 1 . 2]" 1
44 1 7 ILE H 1 7 ILE MD 4.000 . 5.000 2.645 1.803 3.454 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE H 1 8 ALA H 4.000 . 5.000 2.828 2.728 2.987 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE H 1 9 ARG H 4.000 . 5.000 4.122 3.913 4.383 . 0 0 "[ . 1 . 2]" 1
47 1 7 ILE HA 1 7 ILE HG12 4.000 . 5.000 3.131 2.512 3.622 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE HA 1 7 ILE HG13 4.000 . 5.000 2.887 2.173 3.717 . 0 0 "[ . 1 . 2]" 1
49 1 7 ILE HA 1 7 ILE MD 4.000 . 5.000 2.873 1.989 3.883 . 0 0 "[ . 1 . 2]" 1
50 1 7 ILE HA 1 8 ALA H 4.000 . 5.000 3.560 3.541 3.573 . 0 0 "[ . 1 . 2]" 1
51 1 7 ILE HA 1 10 ILE H 4.000 . 5.000 3.868 3.405 4.365 . 0 0 "[ . 1 . 2]" 1
52 1 7 ILE HA 1 10 ILE HB 4.000 . 5.000 3.310 2.545 5.020 0.020 19 0 "[ . 1 . 2]" 1
53 1 7 ILE HA 1 10 ILE MD 4.000 . 5.000 3.053 2.087 5.039 0.039 12 0 "[ . 1 . 2]" 1
54 1 7 ILE HA 1 11 ASN H 4.000 . 5.000 3.963 3.561 4.493 . 0 0 "[ . 1 . 2]" 1
55 1 7 ILE HB 1 8 ALA H 4.000 . 5.000 2.435 2.080 2.798 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE MG 1 8 ALA H 4.000 . 5.000 3.130 2.836 3.534 . 0 0 "[ . 1 . 2]" 1
57 1 7 ILE MG 1 8 ALA HA 4.000 . 5.000 3.289 3.019 3.710 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE MG 1 9 ARG H 4.000 . 5.000 4.817 4.543 4.980 . 0 0 "[ . 1 . 2]" 1
59 1 7 ILE MG 1 11 ASN H 4.000 . 5.000 3.927 3.336 4.311 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE MG 1 11 ASN HD21 4.000 . 5.000 4.153 3.338 5.078 0.078 6 0 "[ . 1 . 2]" 1
61 1 7 ILE MG 1 11 ASN HD22 4.000 . 5.000 4.718 3.663 5.057 0.057 13 0 "[ . 1 . 2]" 1
62 1 7 ILE MD 1 37 TYR QE 4.000 . 5.000 4.109 2.601 5.002 0.002 2 0 "[ . 1 . 2]" 1
63 1 8 ALA H 1 9 ARG H 3.000 . 3.500 2.750 2.665 2.846 . 0 0 "[ . 1 . 2]" 1
64 1 8 ALA HA 1 9 ARG H 4.000 . 5.000 3.540 3.508 3.562 . 0 0 "[ . 1 . 2]" 1
65 1 8 ALA HA 1 11 ASN H 4.000 . 5.000 3.903 3.735 4.152 . 0 0 "[ . 1 . 2]" 1
66 1 8 ALA HA 1 11 ASN HB2 4.000 . 5.000 4.300 3.334 5.104 0.104 7 0 "[ . 1 . 2]" 1
67 1 8 ALA HA 1 11 ASN HB3 4.000 . 5.000 3.308 2.292 4.892 . 0 0 "[ . 1 . 2]" 1
68 1 8 ALA HA 1 11 ASN HD21 4.000 . 5.000 2.991 1.775 3.978 0.025 2 0 "[ . 1 . 2]" 1
69 1 8 ALA HA 1 11 ASN HD22 4.000 . 5.000 3.602 1.933 4.884 . 0 0 "[ . 1 . 2]" 1
70 1 8 ALA MB 1 9 ARG H 4.000 . 5.000 2.580 2.409 2.733 . 0 0 "[ . 1 . 2]" 1
71 1 9 ARG H 1 9 ARG HB2 4.000 . 5.000 2.461 2.199 2.686 . 0 0 "[ . 1 . 2]" 1
72 1 9 ARG H 1 9 ARG HB3 4.000 . 5.000 2.654 2.437 3.508 . 0 0 "[ . 1 . 2]" 1
73 1 9 ARG H 1 9 ARG QG 4.000 . 5.000 3.899 2.791 4.040 . 0 0 "[ . 1 . 2]" 1
74 1 9 ARG H 1 10 ILE H 3.000 . 3.500 2.922 2.673 3.133 . 0 0 "[ . 1 . 2]" 1
75 1 9 ARG H 1 10 ILE QG 4.000 . 5.000 4.552 4.186 4.846 . 0 0 "[ . 1 . 2]" 1
76 1 9 ARG HA 1 9 ARG HD2 4.000 . 5.000 4.072 2.286 4.782 . 0 0 "[ . 1 . 2]" 1
77 1 9 ARG HA 1 9 ARG HD3 4.000 . 5.000 4.078 2.191 4.861 . 0 0 "[ . 1 . 2]" 1
78 1 9 ARG HA 1 10 ILE H 4.000 . 5.000 3.560 3.550 3.576 . 0 0 "[ . 1 . 2]" 1
79 1 9 ARG HA 1 12 GLU H 4.000 . 5.000 3.862 3.543 4.150 . 0 0 "[ . 1 . 2]" 1
80 1 9 ARG HA 1 12 GLU QB 4.000 . 5.000 2.976 2.255 3.708 . 0 0 "[ . 1 . 2]" 1
81 1 9 ARG HB2 1 9 ARG HD2 4.000 . 5.000 3.029 2.320 3.789 . 0 0 "[ . 1 . 2]" 1
82 1 9 ARG HB2 1 9 ARG HD3 4.000 . 5.000 3.400 2.326 4.194 . 0 0 "[ . 1 . 2]" 1
83 1 9 ARG HB3 1 9 ARG HD2 4.000 . 5.000 2.930 2.234 4.256 . 0 0 "[ . 1 . 2]" 1
84 1 9 ARG HB3 1 9 ARG HD3 4.000 . 5.000 3.247 2.253 3.863 . 0 0 "[ . 1 . 2]" 1
85 1 9 ARG QB 1 10 ILE H 4.000 . 5.000 2.125 1.832 2.463 . 0 0 "[ . 1 . 2]" 1
86 1 9 ARG QG 1 10 ILE QG 4.000 . 5.000 3.848 2.952 5.026 0.026 19 0 "[ . 1 . 2]" 1
87 1 9 ARG QD 1 10 ILE HA 4.000 . 5.000 4.596 2.695 5.035 0.035 6 0 "[ . 1 . 2]" 1
88 1 10 ILE H 1 10 ILE HB 4.000 . 5.000 2.568 2.398 3.538 . 0 0 "[ . 1 . 2]" 1
89 1 10 ILE H 1 10 ILE HG12 4.000 . 5.000 3.365 1.840 3.761 . 0 0 "[ . 1 . 2]" 1
90 1 10 ILE H 1 10 ILE HG13 4.000 . 5.000 2.230 1.774 3.906 0.026 5 0 "[ . 1 . 2]" 1
91 1 10 ILE H 1 10 ILE MG 4.000 . 5.000 3.649 1.820 3.764 . 0 0 "[ . 1 . 2]" 1
92 1 10 ILE H 1 10 ILE MD 4.000 . 5.000 3.293 2.952 3.681 . 0 0 "[ . 1 . 2]" 1
93 1 10 ILE H 1 11 ASN H 3.000 . 3.500 2.938 2.786 3.147 . 0 0 "[ . 1 . 2]" 1
94 1 10 ILE HA 1 10 ILE HG12 4.000 . 5.000 2.694 2.484 3.729 . 0 0 "[ . 1 . 2]" 1
95 1 10 ILE HA 1 10 ILE HG13 4.000 . 5.000 2.854 2.539 3.787 . 0 0 "[ . 1 . 2]" 1
96 1 10 ILE HA 1 10 ILE MD 4.000 . 5.000 3.755 2.168 4.121 . 0 0 "[ . 1 . 2]" 1
97 1 10 ILE HA 1 11 ASN H 4.000 . 5.000 3.562 3.522 3.594 . 0 0 "[ . 1 . 2]" 1
98 1 10 ILE HA 1 13 LEU H 4.000 . 5.000 3.820 3.502 4.261 . 0 0 "[ . 1 . 2]" 1
99 1 10 ILE HA 1 13 LEU QB 4.000 . 5.000 2.976 2.243 4.612 . 0 0 "[ . 1 . 2]" 1
100 1 10 ILE HA 1 33 LEU MD1 4.000 . 5.000 3.986 2.915 4.799 . 0 0 "[ . 1 . 2]" 1
101 1 10 ILE HB 1 11 ASN H 4.000 . 5.000 2.541 2.155 4.058 . 0 0 "[ . 1 . 2]" 1
102 1 10 ILE HG12 1 33 LEU HB2 4.000 . 5.000 3.556 2.711 5.010 0.010 12 0 "[ . 1 . 2]" 1
103 1 10 ILE HG12 1 33 LEU HB3 4.000 . 5.000 3.508 2.433 5.036 0.036 19 0 "[ . 1 . 2]" 1
104 1 10 ILE HG13 1 33 LEU HB2 4.000 . 5.000 4.733 4.117 5.017 0.017 2 0 "[ . 1 . 2]" 1
105 1 10 ILE HG13 1 33 LEU HB3 4.000 . 5.000 4.247 3.680 4.983 . 0 0 "[ . 1 . 2]" 1
106 1 10 ILE HG12 1 33 LEU MD1 4.000 . 5.000 3.022 2.091 4.569 . 0 0 "[ . 1 . 2]" 1
107 1 10 ILE HG13 1 33 LEU MD1 4.000 . 5.000 3.542 2.832 4.450 . 0 0 "[ . 1 . 2]" 1
108 1 10 ILE MG 1 11 ASN H 4.000 . 5.000 3.181 2.672 3.735 . 0 0 "[ . 1 . 2]" 1
109 1 10 ILE MG 1 14 ALA MB 4.000 . 5.000 3.183 2.530 5.049 0.049 19 0 "[ . 1 . 2]" 1
110 1 10 ILE MD 1 33 LEU HB2 4.000 . 5.000 3.443 2.430 4.656 . 0 0 "[ . 1 . 2]" 1
111 1 10 ILE MD 1 33 LEU HB3 4.000 . 5.000 2.856 2.195 4.471 . 0 0 "[ . 1 . 2]" 1
112 1 10 ILE MD 1 34 ARG HA 4.000 . 5.000 3.873 3.190 4.505 . 0 0 "[ . 1 . 2]" 1
113 1 10 ILE MD 1 37 TYR HB2 4.000 . 5.000 3.778 2.792 5.044 0.044 11 0 "[ . 1 . 2]" 1
114 1 10 ILE MD 1 37 TYR HB3 4.000 . 5.000 4.630 4.129 5.002 0.002 17 0 "[ . 1 . 2]" 1
115 1 10 ILE MD 1 37 TYR QD 4.000 . 5.000 3.984 2.974 4.989 . 0 0 "[ . 1 . 2]" 1
116 1 11 ASN H 1 11 ASN HB2 4.000 . 5.000 3.046 2.588 3.607 . 0 0 "[ . 1 . 2]" 1
117 1 11 ASN H 1 11 ASN HB3 4.000 . 5.000 2.435 2.133 2.759 . 0 0 "[ . 1 . 2]" 1
118 1 11 ASN H 1 12 GLU H 3.000 . 3.500 2.841 2.685 3.060 . 0 0 "[ . 1 . 2]" 1
119 1 11 ASN HA 1 12 GLU H 4.000 . 5.000 3.555 3.504 3.580 . 0 0 "[ . 1 . 2]" 1
120 1 11 ASN HA 1 14 ALA H 4.000 . 5.000 3.755 3.349 4.299 . 0 0 "[ . 1 . 2]" 1
121 1 11 ASN HA 1 14 ALA MB 4.000 . 5.000 2.759 2.159 3.633 . 0 0 "[ . 1 . 2]" 1
122 1 11 ASN HB2 1 11 ASN HD22 4.000 . 5.000 3.839 3.517 4.109 . 0 0 "[ . 1 . 2]" 1
123 1 11 ASN HB3 1 11 ASN HD22 4.000 . 5.000 3.616 3.496 4.117 . 0 0 "[ . 1 . 2]" 1
124 1 11 ASN HB2 1 12 GLU H 4.000 . 5.000 3.790 3.516 4.226 . 0 0 "[ . 1 . 2]" 1
125 1 11 ASN HB3 1 12 GLU H 4.000 . 5.000 2.968 2.070 4.199 . 0 0 "[ . 1 . 2]" 1
126 1 11 ASN HD21 1 12 GLU QB 4.000 . 5.000 4.263 2.985 5.004 0.004 7 0 "[ . 1 . 2]" 1
127 1 11 ASN HD22 1 12 GLU QB 4.000 . 5.000 4.505 3.284 5.015 0.015 4 0 "[ . 1 . 2]" 1
128 1 12 GLU H 1 12 GLU HB2 4.000 . 5.000 2.400 2.154 2.624 . 0 0 "[ . 1 . 2]" 1
129 1 12 GLU H 1 12 GLU HB3 4.000 . 5.000 2.781 2.455 3.535 . 0 0 "[ . 1 . 2]" 1
130 1 12 GLU H 1 12 GLU HG2 4.000 . 5.000 4.362 2.672 4.672 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLU H 1 12 GLU HG3 4.000 . 5.000 4.228 2.844 4.630 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLU H 1 13 LEU H 3.000 . 3.500 2.794 2.672 2.989 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLU HA 1 12 GLU HG2 4.000 . 5.000 3.040 2.308 3.710 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLU HA 1 12 GLU HG3 4.000 . 5.000 2.630 2.312 3.592 . 0 0 "[ . 1 . 2]" 1
135 1 12 GLU HA 1 13 LEU H 4.000 . 5.000 3.559 3.513 3.576 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLU HA 1 15 ALA H 4.000 . 5.000 3.822 3.486 4.405 . 0 0 "[ . 1 . 2]" 1
137 1 12 GLU HA 1 15 ALA MB 4.000 . 5.000 3.008 2.390 4.145 . 0 0 "[ . 1 . 2]" 1
138 1 12 GLU HB2 1 13 LEU H 4.000 . 5.000 3.554 2.420 3.904 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLU HB3 1 13 LEU H 4.000 . 5.000 2.529 2.110 3.525 . 0 0 "[ . 1 . 2]" 1
140 1 12 GLU QB 1 13 LEU QB 4.000 . 5.000 3.846 3.580 4.201 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLU QG 1 16 LYS QD 4.000 . 5.000 3.780 2.795 4.775 . 0 0 "[ . 1 . 2]" 1
142 1 13 LEU H 1 13 LEU HB2 4.000 . 5.000 2.272 2.079 3.566 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU H 1 13 LEU HB3 4.000 . 5.000 2.938 2.329 3.473 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU H 1 13 LEU HG 4.000 . 5.000 3.941 2.646 4.631 . 0 0 "[ . 1 . 2]" 1
145 1 13 LEU H 1 13 LEU MD1 4.000 . 5.000 4.093 3.366 4.249 . 0 0 "[ . 1 . 2]" 1
146 1 13 LEU H 1 13 LEU MD2 4.000 . 5.000 4.152 2.956 4.281 . 0 0 "[ . 1 . 2]" 1
147 1 13 LEU H 1 14 ALA H 3.000 . 3.500 2.794 2.666 3.005 . 0 0 "[ . 1 . 2]" 1
148 1 13 LEU HA 1 13 LEU MD1 4.000 . 5.000 3.656 3.251 3.743 . 0 0 "[ . 1 . 2]" 1
149 1 13 LEU HA 1 13 LEU MD2 4.000 . 5.000 2.530 1.974 4.088 . 0 0 "[ . 1 . 2]" 1
150 1 13 LEU HA 1 14 ALA H 4.000 . 5.000 3.558 3.480 3.576 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU HA 1 16 LYS H 4.000 . 5.000 3.535 3.322 3.678 . 0 0 "[ . 1 . 2]" 1
152 1 13 LEU HA 1 16 LYS QB 4.000 . 5.000 2.501 2.189 2.970 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU HB2 1 14 ALA H 4.000 . 5.000 3.432 2.626 4.145 . 0 0 "[ . 1 . 2]" 1
154 1 13 LEU HB3 1 14 ALA H 4.000 . 5.000 2.554 2.008 3.940 . 0 0 "[ . 1 . 2]" 1
155 1 13 LEU MD2 1 14 ALA H 4.000 . 5.000 3.611 2.714 4.497 . 0 0 "[ . 1 . 2]" 1
156 1 13 LEU MD2 1 14 ALA HA 4.000 . 5.000 3.530 2.688 5.021 0.021 16 0 "[ . 1 . 2]" 1
157 1 13 LEU MD2 1 17 ALA MB 4.000 . 5.000 2.689 2.043 4.680 . 0 0 "[ . 1 . 2]" 1
158 1 13 LEU MD2 1 26 GLU HB2 4.000 . 5.000 4.705 3.778 5.070 0.070 6 0 "[ . 1 . 2]" 1
159 1 13 LEU MD2 1 26 GLU HB3 4.000 . 5.000 3.560 2.511 4.964 . 0 0 "[ . 1 . 2]" 1
160 1 13 LEU MD2 1 26 GLU QG 4.000 . 5.000 3.521 2.142 4.916 . 0 0 "[ . 1 . 2]" 1
161 1 13 LEU MD1 1 29 GLU QB 4.000 . 5.000 4.050 3.439 4.473 . 0 0 "[ . 1 . 2]" 1
162 1 13 LEU MD1 1 29 GLU QG 4.000 . 5.000 3.977 2.472 4.866 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU MD1 1 30 GLN H 4.000 . 5.000 4.602 3.600 5.019 0.019 3 0 "[ . 1 . 2]" 1
164 1 13 LEU MD1 1 30 GLN HA 4.000 . 5.000 4.380 3.567 5.014 0.014 1 0 "[ . 1 . 2]" 1
165 1 13 LEU MD1 1 30 GLN QG 4.000 . 5.000 3.291 2.483 4.496 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU MD1 1 30 GLN HE22 4.000 . 5.000 4.108 3.307 5.024 0.024 4 0 "[ . 1 . 2]" 1
167 1 14 ALA H 1 15 ALA H 3.000 . 3.500 2.900 2.726 3.133 . 0 0 "[ . 1 . 2]" 1
168 1 14 ALA H 1 16 LYS H 4.000 . 5.000 4.085 3.867 4.321 . 0 0 "[ . 1 . 2]" 1
169 1 14 ALA H 1 30 GLN HE21 4.000 . 5.000 4.227 3.370 4.999 . 0 0 "[ . 1 . 2]" 1
170 1 14 ALA HA 1 15 ALA H 4.000 . 5.000 3.564 3.524 3.578 . 0 0 "[ . 1 . 2]" 1
171 1 14 ALA HA 1 17 ALA H 4.000 . 5.000 3.948 3.390 4.246 . 0 0 "[ . 1 . 2]" 1
172 1 14 ALA HA 1 17 ALA MB 4.000 . 5.000 3.193 2.442 3.489 . 0 0 "[ . 1 . 2]" 1
173 1 14 ALA HA 1 18 LYS H 4.000 . 5.000 4.290 4.086 4.545 . 0 0 "[ . 1 . 2]" 1
174 1 14 ALA HA 1 30 GLN HE21 4.000 . 5.000 3.461 2.343 4.378 . 0 0 "[ . 1 . 2]" 1
175 1 14 ALA HA 1 30 GLN HE22 4.000 . 5.000 2.154 1.814 2.815 . 0 0 "[ . 1 . 2]" 1
176 1 14 ALA MB 1 15 ALA H 4.000 . 5.000 2.283 1.971 2.632 . 0 0 "[ . 1 . 2]" 1
177 1 14 ALA MB 1 30 GLN HE21 4.000 . 5.000 3.614 2.753 4.528 . 0 0 "[ . 1 . 2]" 1
178 1 14 ALA MB 1 30 GLN HE22 4.000 . 5.000 2.594 1.815 3.486 . 0 0 "[ . 1 . 2]" 1
179 1 15 ALA H 1 16 LYS H 3.000 . 3.500 2.680 2.609 2.739 . 0 0 "[ . 1 . 2]" 1
180 1 15 ALA H 1 17 ALA H 4.000 . 5.000 4.648 4.296 4.849 . 0 0 "[ . 1 . 2]" 1
181 1 15 ALA HA 1 18 LYS H 4.000 . 5.000 3.475 3.292 3.660 . 0 0 "[ . 1 . 2]" 1
182 1 15 ALA HA 1 18 LYS QB 4.000 . 5.000 2.247 2.157 2.364 . 0 0 "[ . 1 . 2]" 1
183 1 15 ALA HA 1 18 LYS QD 4.000 . 5.000 3.535 2.341 4.985 . 0 0 "[ . 1 . 2]" 1
184 1 15 ALA HA 1 19 ALA H 4.000 . 5.000 3.880 3.163 4.353 . 0 0 "[ . 1 . 2]" 1
185 1 15 ALA MB 1 16 LYS H 4.000 . 5.000 2.601 2.485 2.688 . 0 0 "[ . 1 . 2]" 1
186 1 16 LYS H 1 16 LYS HB2 4.000 . 5.000 2.419 2.125 2.693 . 0 0 "[ . 1 . 2]" 1
187 1 16 LYS H 1 16 LYS HB3 4.000 . 5.000 2.894 2.401 3.599 . 0 0 "[ . 1 . 2]" 1
188 1 16 LYS H 1 16 LYS HG2 4.000 . 5.000 4.187 2.258 4.668 . 0 0 "[ . 1 . 2]" 1
189 1 16 LYS H 1 16 LYS HG3 4.000 . 5.000 4.034 2.639 4.474 . 0 0 "[ . 1 . 2]" 1
190 1 16 LYS H 1 16 LYS QD 4.000 . 5.000 4.159 2.331 4.795 . 0 0 "[ . 1 . 2]" 1
191 1 16 LYS H 1 17 ALA H 3.000 . 3.500 2.854 2.702 2.931 . 0 0 "[ . 1 . 2]" 1
192 1 16 LYS H 1 18 LYS H 3.000 . 3.500 3.629 3.604 3.669 0.169 14 0 "[ . 1 . 2]" 1
193 1 16 LYS HA 1 16 LYS HG2 4.000 . 5.000 3.056 2.231 3.681 . 0 0 "[ . 1 . 2]" 1
194 1 16 LYS HA 1 16 LYS HG3 4.000 . 5.000 2.607 2.199 3.716 . 0 0 "[ . 1 . 2]" 1
195 1 16 LYS HA 1 16 LYS QD 4.000 . 5.000 3.386 2.147 4.105 . 0 0 "[ . 1 . 2]" 1
196 1 16 LYS HA 1 17 ALA H 4.000 . 5.000 3.562 3.551 3.570 . 0 0 "[ . 1 . 2]" 1
197 1 16 LYS HA 1 19 ALA H 4.000 . 5.000 3.803 3.060 4.144 . 0 0 "[ . 1 . 2]" 1
198 1 16 LYS HA 1 19 ALA MB 4.000 . 5.000 3.588 2.209 4.217 . 0 0 "[ . 1 . 2]" 1
199 1 16 LYS HA 1 20 GLY H 4.000 . 5.000 4.150 3.287 4.651 . 0 0 "[ . 1 . 2]" 1
200 1 16 LYS HB2 1 16 LYS HD2 4.000 . 5.000 2.920 2.361 3.671 . 0 0 "[ . 1 . 2]" 1
201 1 16 LYS HB2 1 16 LYS HD3 4.000 . 5.000 2.970 2.258 4.237 . 0 0 "[ . 1 . 2]" 1
202 1 16 LYS HB3 1 16 LYS HD2 4.000 . 5.000 3.234 2.334 4.223 . 0 0 "[ . 1 . 2]" 1
203 1 16 LYS HB3 1 16 LYS HD3 4.000 . 5.000 3.104 2.297 3.836 . 0 0 "[ . 1 . 2]" 1
204 1 16 LYS QB 1 16 LYS HE2 4.000 . 5.000 3.560 2.137 4.358 . 0 0 "[ . 1 . 2]" 1
205 1 16 LYS HB2 1 17 ALA H 4.000 . 5.000 3.189 2.139 3.706 . 0 0 "[ . 1 . 2]" 1
206 1 16 LYS HB3 1 17 ALA H 4.000 . 5.000 2.361 2.017 3.142 . 0 0 "[ . 1 . 2]" 1
207 1 16 LYS QB 1 18 LYS H 4.000 . 5.000 4.151 4.077 4.224 . 0 0 "[ . 1 . 2]" 1
208 1 16 LYS HE2 1 16 LYS HG2 4.000 . 5.000 3.206 2.406 4.115 . 0 0 "[ . 1 . 2]" 1
209 1 16 LYS HE2 1 16 LYS HG3 4.000 . 5.000 3.168 2.199 4.259 . 0 0 "[ . 1 . 2]" 1
210 1 16 LYS HG2 1 17 ALA H 4.000 . 5.000 3.852 2.793 4.861 . 0 0 "[ . 1 . 2]" 1
211 1 16 LYS HG3 1 17 ALA H 4.000 . 5.000 4.275 3.559 4.690 . 0 0 "[ . 1 . 2]" 1
212 1 16 LYS QD 1 17 ALA H 4.000 . 5.000 4.431 3.692 5.039 0.039 16 0 "[ . 1 . 2]" 1
213 1 17 ALA H 1 18 LYS H 3.000 . 3.500 2.656 2.605 2.692 . 0 0 "[ . 1 . 2]" 1
214 1 17 ALA H 1 19 ALA H 4.000 . 5.000 4.812 3.905 5.058 0.058 9 0 "[ . 1 . 2]" 1
215 1 17 ALA H 1 20 GLY H 4.000 . 5.000 4.741 4.481 5.088 0.088 14 0 "[ . 1 . 2]" 1
216 1 17 ALA H 1 22 ILE MD 4.000 . 5.000 4.701 3.818 5.027 0.027 1 0 "[ . 1 . 2]" 1
217 1 17 ALA HA 1 18 LYS H 4.000 . 5.000 3.455 3.416 3.483 . 0 0 "[ . 1 . 2]" 1
218 1 17 ALA HA 1 20 GLY H 4.000 . 5.000 3.565 3.090 4.303 . 0 0 "[ . 1 . 2]" 1
219 1 17 ALA HA 1 21 VAL H 4.000 . 5.000 2.978 2.093 3.900 . 0 0 "[ . 1 . 2]" 1
220 1 17 ALA HA 1 21 VAL MG2 4.000 . 5.000 4.598 3.298 5.165 0.165 5 0 "[ . 1 . 2]" 1
221 1 17 ALA HA 1 22 ILE H 4.000 . 5.000 4.016 1.837 4.991 . 0 0 "[ . 1 . 2]" 1
222 1 17 ALA HA 1 22 ILE HB 4.000 . 5.000 4.514 2.852 5.040 0.040 19 0 "[ . 1 . 2]" 1
223 1 17 ALA MB 1 18 LYS H 4.000 . 5.000 2.942 2.780 3.044 . 0 0 "[ . 1 . 2]" 1
224 1 17 ALA MB 1 21 VAL H 4.000 . 5.000 4.055 3.376 4.987 . 0 0 "[ . 1 . 2]" 1
225 1 17 ALA MB 1 22 ILE H 4.000 . 5.000 3.760 2.674 4.789 . 0 0 "[ . 1 . 2]" 1
226 1 17 ALA MB 1 22 ILE HA 4.000 . 5.000 2.666 1.981 5.062 0.062 10 0 "[ . 1 . 2]" 1
227 1 17 ALA MB 1 22 ILE MD 4.000 . 5.000 2.307 1.859 3.061 . 0 0 "[ . 1 . 2]" 1
228 1 17 ALA MB 1 30 GLN HE22 4.000 . 5.000 3.916 2.375 4.664 . 0 0 "[ . 1 . 2]" 1
229 1 18 LYS H 1 18 LYS QB 3.000 . 3.500 2.258 2.148 2.318 . 0 0 "[ . 1 . 2]" 1
230 1 18 LYS H 1 18 LYS HG2 4.000 . 5.000 4.377 3.025 4.693 . 0 0 "[ . 1 . 2]" 1
231 1 18 LYS H 1 18 LYS HG3 4.000 . 5.000 4.280 2.957 4.639 . 0 0 "[ . 1 . 2]" 1
232 1 18 LYS H 1 18 LYS QD 4.000 . 5.000 4.325 3.826 4.704 . 0 0 "[ . 1 . 2]" 1
233 1 18 LYS H 1 19 ALA H 3.000 . 3.500 2.739 2.228 2.978 . 0 0 "[ . 1 . 2]" 1
234 1 18 LYS H 1 20 GLY H 4.000 . 5.000 3.499 3.229 4.636 . 0 0 "[ . 1 . 2]" 1
235 1 18 LYS HA 1 18 LYS HG2 4.000 . 5.000 2.968 2.272 3.704 . 0 0 "[ . 1 . 2]" 1
236 1 18 LYS HA 1 18 LYS HG3 4.000 . 5.000 2.668 2.342 3.580 . 0 0 "[ . 1 . 2]" 1
237 1 18 LYS HA 1 18 LYS QD 4.000 . 5.000 3.368 2.156 4.145 . 0 0 "[ . 1 . 2]" 1
238 1 18 LYS HA 1 19 ALA H 4.000 . 5.000 3.562 3.472 3.581 . 0 0 "[ . 1 . 2]" 1
239 1 18 LYS QB 1 19 ALA H 3.000 . 3.500 2.159 1.914 2.824 . 0 0 "[ . 1 . 2]" 1
240 1 18 LYS QG 1 19 ALA H 4.000 . 5.000 3.533 2.793 4.374 . 0 0 "[ . 1 . 2]" 1
241 1 18 LYS QD 1 19 ALA H 4.000 . 5.000 4.247 3.269 4.971 . 0 0 "[ . 1 . 2]" 1
242 1 19 ALA H 1 20 GLY H 3.000 . 3.500 2.564 2.403 2.960 . 0 0 "[ . 1 . 2]" 1
243 1 19 ALA HA 1 20 GLY H 4.000 . 5.000 3.360 3.279 3.576 . 0 0 "[ . 1 . 2]" 1
244 1 19 ALA MB 1 20 GLY H 4.000 . 5.000 3.078 1.883 3.293 . 0 0 "[ . 1 . 2]" 1
245 1 20 GLY H 1 21 VAL H 3.000 . 3.500 2.633 2.120 2.927 . 0 0 "[ . 1 . 2]" 1
246 1 20 GLY H 1 22 ILE H 4.000 . 5.000 4.847 4.200 5.100 0.100 14 0 "[ . 1 . 2]" 1
247 1 20 GLY HA2 1 21 VAL H 4.000 . 5.000 3.488 3.216 3.567 . 0 0 "[ . 1 . 2]" 1
248 1 20 GLY HA3 1 21 VAL H 4.000 . 5.000 2.610 2.372 3.339 . 0 0 "[ . 1 . 2]" 1
249 1 21 VAL H 1 21 VAL HB 4.000 . 5.000 3.757 2.867 3.928 . 0 0 "[ . 1 . 2]" 1
250 1 21 VAL H 1 21 VAL MG1 4.000 . 5.000 3.294 2.452 3.955 . 0 0 "[ . 1 . 2]" 1
251 1 21 VAL H 1 21 VAL MG2 4.000 . 5.000 3.018 2.296 4.025 . 0 0 "[ . 1 . 2]" 1
252 1 21 VAL H 1 22 ILE H 3.000 . 3.500 3.070 1.792 3.642 0.142 8 0 "[ . 1 . 2]" 1
253 1 21 VAL H 1 22 ILE MG 4.000 . 5.000 4.761 3.254 5.058 0.058 8 0 "[ . 1 . 2]" 1
254 1 21 VAL HA 1 22 ILE H 3.000 . 3.500 2.620 2.178 3.555 0.055 2 0 "[ . 1 . 2]" 1
255 1 21 VAL MG2 1 22 ILE H 4.000 . 5.000 3.489 1.887 4.369 . 0 0 "[ . 1 . 2]" 1
256 1 22 ILE H 1 22 ILE HB 4.000 . 5.000 2.905 2.423 3.675 . 0 0 "[ . 1 . 2]" 1
257 1 22 ILE H 1 22 ILE MG 4.000 . 5.000 2.516 1.833 3.959 . 0 0 "[ . 1 . 2]" 1
258 1 22 ILE H 1 22 ILE MD 4.000 . 5.000 4.216 3.556 5.059 0.059 16 0 "[ . 1 . 2]" 1
259 1 22 ILE HA 1 22 ILE HG12 4.000 . 5.000 3.382 2.431 3.774 . 0 0 "[ . 1 . 2]" 1
260 1 22 ILE HA 1 22 ILE HG13 4.000 . 5.000 2.682 2.192 3.725 . 0 0 "[ . 1 . 2]" 1
261 1 22 ILE HA 1 23 THR H 4.000 . 5.000 2.291 2.125 3.208 . 0 0 "[ . 1 . 2]" 1
262 1 22 ILE HB 1 23 THR H 4.000 . 5.000 3.950 1.755 4.527 0.045 10 0 "[ . 1 . 2]" 1
263 1 22 ILE HG12 1 23 THR H 4.000 . 5.000 3.535 1.946 5.074 0.074 4 0 "[ . 1 . 2]" 1
264 1 22 ILE HG13 1 23 THR H 4.000 . 5.000 2.713 1.962 4.566 . 0 0 "[ . 1 . 2]" 1
265 1 22 ILE QG 1 27 LYS H 4.000 . 5.000 3.565 2.564 5.019 0.019 1 0 "[ . 1 . 2]" 1
266 1 22 ILE QG 1 27 LYS QE 4.000 . 5.000 3.242 2.270 4.776 . 0 0 "[ . 1 . 2]" 1
267 1 22 ILE MG 1 27 LYS HE2 4.000 . 5.000 4.299 2.478 5.036 0.036 12 0 "[ . 1 . 2]" 1
268 1 22 ILE MG 1 27 LYS HE3 4.000 . 5.000 4.212 2.629 4.961 . 0 0 "[ . 1 . 2]" 1
269 1 22 ILE MD 1 23 THR H 4.000 . 5.000 3.326 2.077 4.757 . 0 0 "[ . 1 . 2]" 1
270 1 22 ILE MD 1 26 GLU HB2 4.000 . 5.000 3.489 2.073 4.888 . 0 0 "[ . 1 . 2]" 1
271 1 22 ILE MD 1 26 GLU HB3 4.000 . 5.000 3.384 2.205 4.842 . 0 0 "[ . 1 . 2]" 1
272 1 22 ILE MD 1 27 LYS H 4.000 . 5.000 3.603 2.806 5.016 0.016 2 0 "[ . 1 . 2]" 1
273 1 22 ILE MD 1 27 LYS HA 4.000 . 5.000 3.063 2.251 4.701 . 0 0 "[ . 1 . 2]" 1
274 1 22 ILE MD 1 27 LYS QB 4.000 . 5.000 3.424 2.200 4.788 . 0 0 "[ . 1 . 2]" 1
275 1 22 ILE MD 1 27 LYS QG 4.000 . 5.000 3.085 2.273 4.419 . 0 0 "[ . 1 . 2]" 1
276 1 23 THR H 1 23 THR MG 4.000 . 5.000 2.978 2.168 3.994 . 0 0 "[ . 1 . 2]" 1
277 1 23 THR H 1 26 GLU H 4.000 . 5.000 3.563 3.208 4.020 . 0 0 "[ . 1 . 2]" 1
278 1 23 THR H 1 26 GLU HB2 4.000 . 5.000 2.523 1.967 3.425 . 0 0 "[ . 1 . 2]" 1
279 1 23 THR H 1 26 GLU HB3 4.000 . 5.000 3.697 2.008 4.854 . 0 0 "[ . 1 . 2]" 1
280 1 23 THR H 1 26 GLU QG 4.000 . 5.000 3.570 2.332 4.603 . 0 0 "[ . 1 . 2]" 1
281 1 23 THR HA 1 24 GLU H 3.000 . 3.500 2.339 2.200 2.485 . 0 0 "[ . 1 . 2]" 1
282 1 23 THR MG 1 24 GLU H 4.000 . 5.000 3.374 2.023 4.084 . 0 0 "[ . 1 . 2]" 1
283 1 24 GLU H 1 24 GLU QG 4.000 . 5.000 2.956 1.847 4.068 . 0 0 "[ . 1 . 2]" 1
284 1 24 GLU H 1 25 GLU H 3.000 . 3.500 2.811 2.737 2.902 . 0 0 "[ . 1 . 2]" 1
285 1 24 GLU HA 1 25 GLU H 4.000 . 5.000 3.528 3.488 3.559 . 0 0 "[ . 1 . 2]" 1
286 1 24 GLU HA 1 27 LYS H 4.000 . 5.000 3.603 3.338 3.820 . 0 0 "[ . 1 . 2]" 1
287 1 24 GLU HA 1 27 LYS HB2 4.000 . 5.000 2.904 2.218 3.498 . 0 0 "[ . 1 . 2]" 1
288 1 24 GLU HA 1 27 LYS HB3 4.000 . 5.000 3.005 2.298 4.202 . 0 0 "[ . 1 . 2]" 1
289 1 24 GLU HA 1 27 LYS QD 4.000 . 5.000 3.745 2.262 4.925 . 0 0 "[ . 1 . 2]" 1
290 1 24 GLU HA 1 28 ALA H 4.000 . 5.000 3.921 3.458 4.351 . 0 0 "[ . 1 . 2]" 1
291 1 24 GLU QB 1 25 GLU H 4.000 . 5.000 2.650 2.389 3.388 . 0 0 "[ . 1 . 2]" 1
292 1 24 GLU QG 1 25 GLU H 4.000 . 5.000 3.989 1.841 4.661 . 0 0 "[ . 1 . 2]" 1
293 1 25 GLU H 1 25 GLU HB2 4.000 . 5.000 2.479 2.272 2.806 . 0 0 "[ . 1 . 2]" 1
294 1 25 GLU H 1 25 GLU HB3 4.000 . 5.000 3.187 2.595 3.591 . 0 0 "[ . 1 . 2]" 1
295 1 25 GLU H 1 25 GLU HG2 4.000 . 5.000 3.438 1.849 4.639 . 0 0 "[ . 1 . 2]" 1
296 1 25 GLU H 1 25 GLU HG3 4.000 . 5.000 3.506 1.858 4.567 . 0 0 "[ . 1 . 2]" 1
297 1 25 GLU H 1 26 GLU H 3.000 . 3.500 2.833 2.690 2.996 . 0 0 "[ . 1 . 2]" 1
298 1 25 GLU HA 1 26 GLU H 4.000 . 5.000 3.569 3.541 3.581 . 0 0 "[ . 1 . 2]" 1
299 1 25 GLU HA 1 28 ALA H 4.000 . 5.000 3.783 3.490 3.996 . 0 0 "[ . 1 . 2]" 1
300 1 25 GLU HA 1 28 ALA MB 4.000 . 5.000 3.010 2.724 3.297 . 0 0 "[ . 1 . 2]" 1
301 1 25 GLU HA 1 29 GLU H 4.000 . 5.000 4.530 4.283 4.665 . 0 0 "[ . 1 . 2]" 1
302 1 25 GLU HB2 1 26 GLU H 4.000 . 5.000 2.894 2.006 3.702 . 0 0 "[ . 1 . 2]" 1
303 1 25 GLU HB3 1 26 GLU H 4.000 . 5.000 2.923 2.013 3.758 . 0 0 "[ . 1 . 2]" 1
304 1 25 GLU QB 1 26 GLU QB 4.000 . 5.000 4.075 3.711 4.402 . 0 0 "[ . 1 . 2]" 1
305 1 26 GLU H 1 26 GLU HB2 4.000 . 5.000 2.402 2.207 2.739 . 0 0 "[ . 1 . 2]" 1
306 1 26 GLU H 1 26 GLU HB3 4.000 . 5.000 3.432 2.552 3.600 . 0 0 "[ . 1 . 2]" 1
307 1 26 GLU H 1 26 GLU HG2 4.000 . 5.000 3.375 1.844 4.655 . 0 0 "[ . 1 . 2]" 1
308 1 26 GLU H 1 26 GLU HG3 4.000 . 5.000 3.261 2.099 4.469 . 0 0 "[ . 1 . 2]" 1
309 1 26 GLU H 1 27 LYS H 3.000 . 3.500 2.690 2.598 2.793 . 0 0 "[ . 1 . 2]" 1
310 1 26 GLU HA 1 26 GLU HG2 4.000 . 5.000 2.967 2.321 3.698 . 0 0 "[ . 1 . 2]" 1
311 1 26 GLU HA 1 26 GLU HG3 4.000 . 5.000 3.003 2.184 3.783 . 0 0 "[ . 1 . 2]" 1
312 1 26 GLU HA 1 27 LYS H 4.000 . 5.000 3.552 3.530 3.570 . 0 0 "[ . 1 . 2]" 1
313 1 26 GLU HA 1 29 GLU H 4.000 . 5.000 3.374 3.127 3.530 . 0 0 "[ . 1 . 2]" 1
314 1 26 GLU HA 1 29 GLU QB 4.000 . 5.000 2.681 2.423 3.043 . 0 0 "[ . 1 . 2]" 1
315 1 26 GLU HA 1 30 GLN H 4.000 . 5.000 4.097 3.658 4.477 . 0 0 "[ . 1 . 2]" 1
316 1 26 GLU HB2 1 27 LYS H 4.000 . 5.000 2.734 2.272 3.797 . 0 0 "[ . 1 . 2]" 1
317 1 26 GLU HB3 1 27 LYS H 4.000 . 5.000 3.305 2.465 3.902 . 0 0 "[ . 1 . 2]" 1
318 1 26 GLU QB 1 27 LYS QB 4.000 . 5.000 4.025 3.706 4.412 . 0 0 "[ . 1 . 2]" 1
319 1 27 LYS H 1 27 LYS HB2 3.000 . 3.500 2.300 2.123 2.536 . 0 0 "[ . 1 . 2]" 1
320 1 27 LYS H 1 27 LYS HB3 3.000 . 3.500 3.002 2.539 3.570 0.070 2 0 "[ . 1 . 2]" 1
321 1 27 LYS H 1 27 LYS HG2 4.000 . 5.000 4.206 2.840 4.665 . 0 0 "[ . 1 . 2]" 1
322 1 27 LYS H 1 27 LYS HG3 4.000 . 5.000 3.863 2.016 4.442 . 0 0 "[ . 1 . 2]" 1
323 1 27 LYS H 1 27 LYS QD 4.000 . 5.000 4.231 3.572 4.771 . 0 0 "[ . 1 . 2]" 1
324 1 27 LYS H 1 28 ALA H 3.000 . 3.500 2.814 2.693 2.904 . 0 0 "[ . 1 . 2]" 1
325 1 27 LYS H 1 28 ALA MB 4.000 . 5.000 4.445 4.306 4.532 . 0 0 "[ . 1 . 2]" 1
326 1 27 LYS HA 1 27 LYS HG2 4.000 . 5.000 2.849 2.189 3.680 . 0 0 "[ . 1 . 2]" 1
327 1 27 LYS HA 1 27 LYS HG3 4.000 . 5.000 2.640 2.239 3.552 . 0 0 "[ . 1 . 2]" 1
328 1 27 LYS HA 1 27 LYS QD 4.000 . 5.000 3.501 2.199 4.126 . 0 0 "[ . 1 . 2]" 1
329 1 27 LYS HA 1 28 ALA H 4.000 . 5.000 3.552 3.532 3.567 . 0 0 "[ . 1 . 2]" 1
330 1 27 LYS HA 1 30 GLN H 4.000 . 5.000 3.835 3.438 4.037 . 0 0 "[ . 1 . 2]" 1
331 1 27 LYS HA 1 30 GLN HB2 4.000 . 5.000 3.587 2.832 5.042 0.042 4 0 "[ . 1 . 2]" 1
332 1 27 LYS HA 1 30 GLN HB3 4.000 . 5.000 4.751 4.413 4.992 . 0 0 "[ . 1 . 2]" 1
333 1 27 LYS HA 1 31 GLN H 4.000 . 5.000 4.279 3.934 4.556 . 0 0 "[ . 1 . 2]" 1
334 1 27 LYS QB 1 28 ALA H 3.000 . 3.500 2.507 2.325 2.675 . 0 0 "[ . 1 . 2]" 1
335 1 27 LYS HG2 1 28 ALA H 4.000 . 5.000 4.434 3.662 5.037 0.037 13 0 "[ . 1 . 2]" 1
336 1 27 LYS HG3 1 28 ALA H 4.000 . 5.000 4.648 3.997 5.009 0.009 9 0 "[ . 1 . 2]" 1
337 1 28 ALA H 1 29 GLU H 3.000 . 3.500 2.693 2.594 2.761 . 0 0 "[ . 1 . 2]" 1
338 1 28 ALA H 1 30 GLN H 4.000 . 5.000 4.604 4.322 4.857 . 0 0 "[ . 1 . 2]" 1
339 1 28 ALA HA 1 31 GLN H 4.000 . 5.000 3.652 3.475 3.792 . 0 0 "[ . 1 . 2]" 1
340 1 28 ALA HA 1 31 GLN QB 4.000 . 5.000 2.654 2.358 3.037 . 0 0 "[ . 1 . 2]" 1
341 1 28 ALA MB 1 29 GLU H 4.000 . 5.000 2.489 2.314 2.580 . 0 0 "[ . 1 . 2]" 1
342 1 29 GLU H 1 29 GLU HB2 4.000 . 5.000 2.386 2.166 2.629 . 0 0 "[ . 1 . 2]" 1
343 1 29 GLU H 1 29 GLU HB3 4.000 . 5.000 2.721 2.422 3.483 . 0 0 "[ . 1 . 2]" 1
344 1 29 GLU H 1 29 GLU HG2 4.000 . 5.000 4.459 4.079 4.664 . 0 0 "[ . 1 . 2]" 1
345 1 29 GLU H 1 29 GLU HG3 4.000 . 5.000 4.442 3.863 4.620 . 0 0 "[ . 1 . 2]" 1
346 1 29 GLU H 1 30 GLN H 4.000 . 5.000 2.937 2.796 3.057 . 0 0 "[ . 1 . 2]" 1
347 1 29 GLU H 1 30 GLN HG2 4.000 . 5.000 4.698 3.801 5.050 0.050 9 0 "[ . 1 . 2]" 1
348 1 29 GLU H 1 30 GLN HG3 4.000 . 5.000 4.561 3.871 5.024 0.024 4 0 "[ . 1 . 2]" 1
349 1 29 GLU HA 1 30 GLN H 4.000 . 5.000 3.570 3.556 3.589 . 0 0 "[ . 1 . 2]" 1
350 1 29 GLU HA 1 31 GLN H 4.000 . 5.000 4.237 3.903 4.584 . 0 0 "[ . 1 . 2]" 1
351 1 29 GLU HA 1 32 LYS H 4.000 . 5.000 3.674 3.383 4.056 . 0 0 "[ . 1 . 2]" 1
352 1 29 GLU HB2 1 30 GLN H 4.000 . 5.000 3.483 2.569 3.767 . 0 0 "[ . 1 . 2]" 1
353 1 29 GLU HB3 1 30 GLN H 4.000 . 5.000 2.158 1.933 2.795 . 0 0 "[ . 1 . 2]" 1
354 1 29 GLU HG2 1 33 LEU MD1 4.000 . 5.000 3.800 2.241 5.015 0.015 14 0 "[ . 1 . 2]" 1
355 1 29 GLU HG3 1 33 LEU MD1 4.000 . 5.000 3.763 2.340 5.040 0.040 12 0 "[ . 1 . 2]" 1
356 1 30 GLN H 1 30 GLN HB2 4.000 . 5.000 2.933 2.564 3.602 . 0 0 "[ . 1 . 2]" 1
357 1 30 GLN H 1 30 GLN HB3 4.000 . 5.000 3.390 2.561 3.597 . 0 0 "[ . 1 . 2]" 1
358 1 30 GLN H 1 30 GLN HG2 4.000 . 5.000 2.157 1.910 2.374 . 0 0 "[ . 1 . 2]" 1
359 1 30 GLN H 1 30 GLN HG3 4.000 . 5.000 2.405 1.826 3.168 . 0 0 "[ . 1 . 2]" 1
360 1 30 GLN H 1 31 GLN H 4.000 . 5.000 2.839 2.775 2.951 . 0 0 "[ . 1 . 2]" 1
361 1 30 GLN HA 1 30 GLN HG2 4.000 . 5.000 2.758 2.367 3.718 . 0 0 "[ . 1 . 2]" 1
362 1 30 GLN HA 1 30 GLN HG3 4.000 . 5.000 3.633 3.546 3.775 . 0 0 "[ . 1 . 2]" 1
363 1 30 GLN HA 1 31 GLN H 4.000 . 5.000 3.522 3.449 3.566 . 0 0 "[ . 1 . 2]" 1
364 1 30 GLN HA 1 33 LEU H 4.000 . 5.000 3.632 3.443 3.817 . 0 0 "[ . 1 . 2]" 1
365 1 30 GLN HA 1 33 LEU QB 4.000 . 5.000 3.042 2.314 3.792 . 0 0 "[ . 1 . 2]" 1
366 1 30 GLN HA 1 33 LEU HG 4.000 . 5.000 3.547 2.336 4.609 . 0 0 "[ . 1 . 2]" 1
367 1 30 GLN HA 1 33 LEU MD1 4.000 . 5.000 2.851 2.218 3.501 . 0 0 "[ . 1 . 2]" 1
368 1 30 GLN HA 1 34 ARG H 4.000 . 5.000 3.897 3.299 4.366 . 0 0 "[ . 1 . 2]" 1
369 1 30 GLN QB 1 30 GLN HE21 4.000 . 5.000 2.761 1.814 3.954 . 0 0 "[ . 1 . 2]" 1
370 1 30 GLN QB 1 30 GLN HE22 4.000 . 5.000 3.533 3.159 4.122 . 0 0 "[ . 1 . 2]" 1
371 1 30 GLN HB2 1 31 GLN H 4.000 . 5.000 2.930 2.373 3.829 . 0 0 "[ . 1 . 2]" 1
372 1 30 GLN HB3 1 31 GLN H 4.000 . 5.000 3.954 3.516 4.195 . 0 0 "[ . 1 . 2]" 1
373 1 30 GLN HE22 1 30 GLN HG2 4.000 . 5.000 3.754 3.513 4.107 . 0 0 "[ . 1 . 2]" 1
374 1 30 GLN HE22 1 30 GLN HG3 4.000 . 5.000 3.914 3.509 4.120 . 0 0 "[ . 1 . 2]" 1
375 1 31 GLN H 1 31 GLN HA 3.000 . 3.500 2.795 2.775 2.808 . 0 0 "[ . 1 . 2]" 1
376 1 31 GLN H 1 31 GLN QB 2.500 . 2.900 2.227 2.159 2.258 . 0 0 "[ . 1 . 2]" 1
377 1 31 GLN H 1 31 GLN QG 4.000 . 5.000 3.945 3.825 4.058 . 0 0 "[ . 1 . 2]" 1
378 1 31 GLN H 1 32 LYS H 3.000 . 3.500 2.797 2.687 2.973 . 0 0 "[ . 1 . 2]" 1
379 1 31 GLN H 1 33 LEU H 4.000 . 5.000 4.561 4.083 4.874 . 0 0 "[ . 1 . 2]" 1
380 1 31 GLN HA 1 32 LYS H 4.000 . 5.000 3.552 3.524 3.586 . 0 0 "[ . 1 . 2]" 1
381 1 31 GLN HA 1 34 ARG H 4.000 . 5.000 3.767 3.392 4.458 . 0 0 "[ . 1 . 2]" 1
382 1 31 GLN HA 1 35 GLN H 4.000 . 5.000 3.922 3.749 4.268 . 0 0 "[ . 1 . 2]" 1
383 1 31 GLN QB 1 32 LYS H 3.000 . 3.500 2.475 2.121 2.711 . 0 0 "[ . 1 . 2]" 1
384 1 31 GLN QG 1 32 LYS QB 4.000 . 5.000 4.791 4.226 5.029 0.029 9 0 "[ . 1 . 2]" 1
385 1 31 GLN QG 1 35 GLN H 4.000 . 5.000 4.118 3.674 4.508 . 0 0 "[ . 1 . 2]" 1
386 1 31 GLN QG 1 35 GLN HB2 4.000 . 5.000 3.565 3.054 4.892 . 0 0 "[ . 1 . 2]" 1
387 1 31 GLN QG 1 35 GLN HB3 4.000 . 5.000 4.523 3.575 5.031 0.031 6 0 "[ . 1 . 2]" 1
388 1 32 LYS H 1 32 LYS HG2 4.000 . 5.000 4.238 2.735 4.661 . 0 0 "[ . 1 . 2]" 1
389 1 32 LYS H 1 32 LYS HG3 4.000 . 5.000 4.006 2.021 4.494 . 0 0 "[ . 1 . 2]" 1
390 1 32 LYS H 1 32 LYS QD 4.000 . 5.000 4.140 2.059 4.602 . 0 0 "[ . 1 . 2]" 1
391 1 32 LYS H 1 33 LEU H 3.000 . 3.500 2.869 2.738 3.015 . 0 0 "[ . 1 . 2]" 1
392 1 32 LYS HA 1 32 LYS HG2 4.000 . 5.000 2.991 2.236 3.723 . 0 0 "[ . 1 . 2]" 1
393 1 32 LYS HA 1 32 LYS HG3 4.000 . 5.000 2.568 2.239 3.609 . 0 0 "[ . 1 . 2]" 1
394 1 32 LYS HA 1 32 LYS QD 4.000 . 5.000 3.734 2.306 4.270 . 0 0 "[ . 1 . 2]" 1
395 1 32 LYS HA 1 33 LEU H 4.000 . 5.000 3.570 3.541 3.587 . 0 0 "[ . 1 . 2]" 1
396 1 32 LYS HA 1 35 GLN H 4.000 . 5.000 3.656 3.351 3.958 . 0 0 "[ . 1 . 2]" 1
397 1 32 LYS HA 1 35 GLN HB2 4.000 . 5.000 3.531 2.753 5.053 0.053 8 0 "[ . 1 . 2]" 1
398 1 32 LYS HA 1 35 GLN HB3 4.000 . 5.000 3.254 2.299 4.661 . 0 0 "[ . 1 . 2]" 1
399 1 32 LYS HA 1 36 GLU H 4.000 . 5.000 4.213 3.611 4.663 . 0 0 "[ . 1 . 2]" 1
400 1 32 LYS QB 1 33 LEU H 3.000 . 3.500 2.265 2.027 3.384 . 0 0 "[ . 1 . 2]" 1
401 1 32 LYS QD 1 33 LEU MD2 4.000 . 5.000 4.135 2.834 4.946 . 0 0 "[ . 1 . 2]" 1
402 1 33 LEU H 1 33 LEU HA 3.000 . 3.500 2.790 2.762 2.801 . 0 0 "[ . 1 . 2]" 1
403 1 33 LEU H 1 33 LEU HB2 4.000 . 5.000 2.633 2.363 3.298 . 0 0 "[ . 1 . 2]" 1
404 1 33 LEU H 1 33 LEU HB3 4.000 . 5.000 3.569 3.331 3.598 . 0 0 "[ . 1 . 2]" 1
405 1 33 LEU H 1 33 LEU HG 4.000 . 5.000 1.996 1.755 2.376 0.045 19 0 "[ . 1 . 2]" 1
406 1 33 LEU H 1 33 LEU MD1 4.000 . 5.000 3.439 3.045 3.642 . 0 0 "[ . 1 . 2]" 1
407 1 33 LEU H 1 33 LEU MD2 4.000 . 5.000 2.965 1.848 3.799 . 0 0 "[ . 1 . 2]" 1
408 1 33 LEU H 1 34 ARG H 3.000 . 3.500 2.823 2.714 3.070 . 0 0 "[ . 1 . 2]" 1
409 1 33 LEU H 1 35 GLN H 4.000 . 5.000 4.284 4.065 4.736 . 0 0 "[ . 1 . 2]" 1
410 1 33 LEU HA 1 33 LEU HG 4.000 . 5.000 3.067 2.536 3.594 . 0 0 "[ . 1 . 2]" 1
411 1 33 LEU HA 1 33 LEU MD1 4.000 . 5.000 3.810 3.727 4.032 . 0 0 "[ . 1 . 2]" 1
412 1 33 LEU HA 1 33 LEU MD2 4.000 . 5.000 2.141 1.995 2.502 . 0 0 "[ . 1 . 2]" 1
413 1 33 LEU HA 1 36 GLU H 4.000 . 5.000 3.559 3.332 3.828 . 0 0 "[ . 1 . 2]" 1
414 1 33 LEU HA 1 37 TYR H 4.000 . 5.000 4.104 3.648 4.594 . 0 0 "[ . 1 . 2]" 1
415 1 33 LEU HB2 1 34 ARG H 4.000 . 5.000 2.512 2.093 2.915 . 0 0 "[ . 1 . 2]" 1
416 1 33 LEU HB3 1 34 ARG H 4.000 . 5.000 3.616 3.114 4.134 . 0 0 "[ . 1 . 2]" 1
417 1 33 LEU MD2 1 34 ARG H 4.000 . 5.000 4.495 3.983 4.796 . 0 0 "[ . 1 . 2]" 1
418 1 34 ARG H 1 34 ARG HG2 4.000 . 5.000 4.099 2.560 4.644 . 0 0 "[ . 1 . 2]" 1
419 1 34 ARG H 1 34 ARG HG3 4.000 . 5.000 3.972 2.183 4.448 . 0 0 "[ . 1 . 2]" 1
420 1 34 ARG H 1 35 GLN H 3.000 . 3.500 2.747 2.539 2.998 . 0 0 "[ . 1 . 2]" 1
421 1 34 ARG HA 1 34 ARG HG2 4.000 . 5.000 2.922 2.299 3.726 . 0 0 "[ . 1 . 2]" 1
422 1 34 ARG HA 1 34 ARG HG3 4.000 . 5.000 2.683 2.317 3.625 . 0 0 "[ . 1 . 2]" 1
423 1 34 ARG HA 1 35 GLN H 4.000 . 5.000 3.551 3.521 3.581 . 0 0 "[ . 1 . 2]" 1
424 1 34 ARG HA 1 37 TYR H 4.000 . 5.000 3.550 3.346 3.790 . 0 0 "[ . 1 . 2]" 1
425 1 34 ARG HA 1 37 TYR HB2 4.000 . 5.000 3.363 2.752 3.903 . 0 0 "[ . 1 . 2]" 1
426 1 34 ARG HA 1 37 TYR HB3 4.000 . 5.000 3.163 2.431 5.125 0.125 2 0 "[ . 1 . 2]" 1
427 1 34 ARG QB 1 35 GLN H 3.000 . 3.500 2.492 2.128 2.749 . 0 0 "[ . 1 . 2]" 1
428 1 34 ARG QG 1 38 LEU MD2 4.000 . 5.000 3.457 2.119 5.002 0.002 6 0 "[ . 1 . 2]" 1
429 1 35 GLN H 1 35 GLN HB2 4.000 . 5.000 2.500 2.197 3.566 . 0 0 "[ . 1 . 2]" 1
430 1 35 GLN H 1 35 GLN HB3 3.000 . 3.500 2.721 2.350 3.557 0.057 10 0 "[ . 1 . 2]" 1
431 1 35 GLN H 1 35 GLN HG2 4.000 . 5.000 4.278 2.781 4.660 . 0 0 "[ . 1 . 2]" 1
432 1 35 GLN H 1 35 GLN HG3 4.000 . 5.000 4.109 2.270 4.628 . 0 0 "[ . 1 . 2]" 1
433 1 35 GLN H 1 36 GLU H 3.000 . 3.500 2.701 2.601 2.865 . 0 0 "[ . 1 . 2]" 1
434 1 35 GLN H 1 37 TYR H 4.000 . 5.000 4.261 3.890 4.757 . 0 0 "[ . 1 . 2]" 1
435 1 35 GLN HA 1 35 GLN HG2 4.000 . 5.000 3.112 2.333 4.234 . 0 0 "[ . 1 . 2]" 1
436 1 35 GLN HA 1 35 GLN HG3 4.000 . 5.000 2.749 2.305 3.601 . 0 0 "[ . 1 . 2]" 1
437 1 35 GLN HA 1 36 GLU H 4.000 . 5.000 3.537 3.487 3.570 . 0 0 "[ . 1 . 2]" 1
438 1 35 GLN HA 1 38 LEU H 4.000 . 5.000 3.795 3.569 4.155 . 0 0 "[ . 1 . 2]" 1
439 1 35 GLN HA 1 38 LEU HB2 4.000 . 5.000 3.282 2.492 4.028 . 0 0 "[ . 1 . 2]" 1
440 1 35 GLN HA 1 38 LEU HB3 4.000 . 5.000 4.590 3.739 5.017 0.017 7 0 "[ . 1 . 2]" 1
441 1 35 GLN HB2 1 36 GLU H 4.000 . 5.000 3.666 2.510 4.067 . 0 0 "[ . 1 . 2]" 1
442 1 35 GLN HB3 1 36 GLU H 4.000 . 5.000 2.773 2.296 3.916 . 0 0 "[ . 1 . 2]" 1
443 1 35 GLN QG 1 36 GLU H 4.000 . 5.000 3.715 2.027 4.292 . 0 0 "[ . 1 . 2]" 1
444 1 36 GLU H 1 36 GLU HB2 4.000 . 5.000 2.419 2.191 2.734 . 0 0 "[ . 1 . 2]" 1
445 1 36 GLU H 1 36 GLU HB3 4.000 . 5.000 2.797 2.353 3.591 . 0 0 "[ . 1 . 2]" 1
446 1 36 GLU H 1 36 GLU HG2 4.000 . 5.000 4.282 2.035 4.665 . 0 0 "[ . 1 . 2]" 1
447 1 36 GLU H 1 36 GLU HG3 4.000 . 5.000 4.179 2.469 4.661 . 0 0 "[ . 1 . 2]" 1
448 1 36 GLU H 1 37 TYR H 3.000 . 3.500 2.688 2.594 2.892 . 0 0 "[ . 1 . 2]" 1
449 1 36 GLU HA 1 36 GLU HG2 4.000 . 5.000 2.935 2.223 3.713 . 0 0 "[ . 1 . 2]" 1
450 1 36 GLU HA 1 36 GLU HG3 4.000 . 5.000 2.847 2.277 3.757 . 0 0 "[ . 1 . 2]" 1
451 1 36 GLU HA 1 37 TYR H 4.000 . 5.000 3.554 3.526 3.588 . 0 0 "[ . 1 . 2]" 1
452 1 36 GLU HA 1 39 LYS H 4.000 . 5.000 3.549 3.301 4.263 . 0 0 "[ . 1 . 2]" 1
453 1 36 GLU HA 1 39 LYS QB 4.000 . 5.000 2.833 2.283 3.593 . 0 0 "[ . 1 . 2]" 1
454 1 36 GLU HA 1 40 GLY H 4.000 . 5.000 4.330 3.469 4.681 . 0 0 "[ . 1 . 2]" 1
455 1 36 GLU HB2 1 37 TYR H 4.000 . 5.000 3.536 2.659 3.917 . 0 0 "[ . 1 . 2]" 1
456 1 36 GLU HB3 1 37 TYR H 4.000 . 5.000 2.626 2.055 3.745 . 0 0 "[ . 1 . 2]" 1
457 1 37 TYR H 1 37 TYR HB2 4.000 . 5.000 2.501 2.253 3.105 . 0 0 "[ . 1 . 2]" 1
458 1 37 TYR H 1 37 TYR HB3 4.000 . 5.000 2.739 2.461 3.519 . 0 0 "[ . 1 . 2]" 1
459 1 37 TYR H 1 37 TYR QD 4.000 . 5.000 3.982 2.631 4.190 . 0 0 "[ . 1 . 2]" 1
460 1 37 TYR H 1 38 LEU H 3.000 . 3.500 2.873 2.766 3.039 . 0 0 "[ . 1 . 2]" 1
461 1 37 TYR H 1 38 LEU MD2 4.000 . 5.000 4.397 3.883 5.010 0.010 19 0 "[ . 1 . 2]" 1
462 1 37 TYR HA 1 37 TYR QD 4.000 . 5.000 2.578 2.322 3.019 . 0 0 "[ . 1 . 2]" 1
463 1 37 TYR HA 1 38 LEU H 4.000 . 5.000 3.557 3.519 3.580 . 0 0 "[ . 1 . 2]" 1
464 1 37 TYR HA 1 40 GLY H 4.000 . 5.000 3.476 3.293 3.890 . 0 0 "[ . 1 . 2]" 1
465 1 37 TYR HB2 1 38 LEU H 4.000 . 5.000 3.619 2.214 4.000 . 0 0 "[ . 1 . 2]" 1
466 1 37 TYR HB3 1 38 LEU H 4.000 . 5.000 2.590 2.044 3.771 . 0 0 "[ . 1 . 2]" 1
467 1 37 TYR HB2 1 38 LEU MD2 4.000 . 5.000 4.132 2.246 4.848 . 0 0 "[ . 1 . 2]" 1
468 1 37 TYR HB3 1 38 LEU MD2 4.000 . 5.000 2.883 2.372 3.682 . 0 0 "[ . 1 . 2]" 1
469 1 37 TYR QD 1 38 LEU H 4.000 . 5.000 3.522 3.082 3.983 . 0 0 "[ . 1 . 2]" 1
470 1 37 TYR QD 1 38 LEU HA 4.000 . 5.000 3.668 2.849 5.167 0.167 11 0 "[ . 1 . 2]" 1
471 1 37 TYR QD 1 38 LEU HG 4.000 . 5.000 4.777 4.251 5.036 0.036 2 0 "[ . 1 . 2]" 1
472 1 37 TYR QD 1 38 LEU MD2 4.000 . 5.000 2.339 2.100 2.819 . 0 0 "[ . 1 . 2]" 1
473 1 37 TYR QE 1 38 LEU MD2 4.000 . 5.000 3.840 3.133 4.604 . 0 0 "[ . 1 . 2]" 1
474 1 38 LEU H 1 38 LEU HB2 4.000 . 5.000 2.355 2.081 2.870 . 0 0 "[ . 1 . 2]" 1
475 1 38 LEU H 1 38 LEU HB3 4.000 . 5.000 3.507 3.354 3.603 . 0 0 "[ . 1 . 2]" 1
476 1 38 LEU H 1 38 LEU HG 4.000 . 5.000 3.210 1.781 4.198 0.019 6 0 "[ . 1 . 2]" 1
477 1 38 LEU H 1 38 LEU MD1 4.000 . 5.000 3.831 3.452 4.095 . 0 0 "[ . 1 . 2]" 1
478 1 38 LEU H 1 38 LEU MD2 4.000 . 5.000 2.301 1.874 2.917 . 0 0 "[ . 1 . 2]" 1
479 1 38 LEU H 1 39 LYS H 3.000 . 3.500 2.786 2.670 3.098 . 0 0 "[ . 1 . 2]" 1
480 1 38 LEU HA 1 38 LEU HG 4.000 . 5.000 3.459 3.152 3.611 . 0 0 "[ . 1 . 2]" 1
481 1 38 LEU HA 1 38 LEU MD1 4.000 . 5.000 2.697 2.056 3.859 . 0 0 "[ . 1 . 2]" 1
482 1 38 LEU HA 1 38 LEU MD2 4.000 . 5.000 2.130 1.990 2.219 . 0 0 "[ . 1 . 2]" 1
483 1 38 LEU HA 1 39 LYS H 4.000 . 5.000 3.551 3.493 3.594 . 0 0 "[ . 1 . 2]" 1
484 1 38 LEU HA 1 41 PHE HB2 4.000 . 5.000 3.556 2.267 5.061 0.061 10 0 "[ . 1 . 2]" 1
485 1 38 LEU HA 1 41 PHE HB3 4.000 . 5.000 4.079 2.844 5.201 0.201 11 0 "[ . 1 . 2]" 1
486 1 38 LEU HA 1 41 PHE QD 4.000 . 5.000 4.419 2.585 5.042 0.042 13 0 "[ . 1 . 2]" 1
487 1 38 LEU HB2 1 39 LYS H 4.000 . 5.000 2.702 2.108 3.174 . 0 0 "[ . 1 . 2]" 1
488 1 38 LEU HB3 1 39 LYS H 4.000 . 5.000 3.339 2.773 3.954 . 0 0 "[ . 1 . 2]" 1
489 1 38 LEU MD1 1 39 LYS H 4.000 . 5.000 4.452 4.101 4.771 . 0 0 "[ . 1 . 2]" 1
490 1 38 LEU MD2 1 39 LYS H 4.000 . 5.000 4.265 4.103 4.537 . 0 0 "[ . 1 . 2]" 1
491 1 39 LYS H 1 39 LYS HG2 4.000 . 5.000 4.140 2.247 4.659 . 0 0 "[ . 1 . 2]" 1
492 1 39 LYS H 1 39 LYS HG3 4.000 . 5.000 3.966 2.095 4.495 . 0 0 "[ . 1 . 2]" 1
493 1 39 LYS H 1 39 LYS QD 4.000 . 5.000 4.129 1.904 4.672 . 0 0 "[ . 1 . 2]" 1
494 1 39 LYS H 1 40 GLY H 3.000 . 3.500 2.613 2.550 2.888 . 0 0 "[ . 1 . 2]" 1
495 1 39 LYS HA 1 39 LYS HG2 4.000 . 5.000 3.012 2.225 3.650 . 0 0 "[ . 1 . 2]" 1
496 1 39 LYS HA 1 39 LYS HG3 4.000 . 5.000 2.609 2.262 3.717 . 0 0 "[ . 1 . 2]" 1
497 1 39 LYS HA 1 39 LYS QD 4.000 . 5.000 3.501 2.124 4.185 . 0 0 "[ . 1 . 2]" 1
498 1 39 LYS HA 1 40 GLY H 4.000 . 5.000 3.480 3.366 3.575 . 0 0 "[ . 1 . 2]" 1
499 1 39 LYS QB 1 40 GLY H 4.000 . 5.000 2.797 2.030 3.179 . 0 0 "[ . 1 . 2]" 1
500 1 39 LYS QB 1 41 PHE H 4.000 . 5.000 4.544 4.028 5.065 0.065 17 0 "[ . 1 . 2]" 1
501 1 40 GLY H 1 41 PHE H 3.000 . 3.500 2.443 2.127 3.211 . 0 0 "[ . 1 . 2]" 1
502 1 40 GLY HA2 1 41 PHE H 4.000 . 5.000 3.348 3.229 3.552 . 0 0 "[ . 1 . 2]" 1
503 1 40 GLY HA3 1 41 PHE H 4.000 . 5.000 3.166 2.442 3.349 . 0 0 "[ . 1 . 2]" 1
504 1 41 PHE H 1 41 PHE HB2 4.000 . 5.000 2.743 2.210 3.362 . 0 0 "[ . 1 . 2]" 1
505 1 41 PHE H 1 41 PHE HB3 4.000 . 5.000 3.085 2.427 3.974 . 0 0 "[ . 1 . 2]" 1
506 1 41 PHE H 1 42 ARG H 4.000 . 5.000 3.783 2.695 4.646 . 0 0 "[ . 1 . 2]" 1
507 1 41 PHE HA 1 41 PHE QE 4.000 . 5.000 4.390 4.215 4.589 . 0 0 "[ . 1 . 2]" 1
508 1 41 PHE HA 1 42 ARG H 4.000 . 5.000 2.551 2.144 3.560 . 0 0 "[ . 1 . 2]" 1
509 1 41 PHE HB2 1 41 PHE QE 4.000 . 5.000 4.470 4.411 4.508 . 0 0 "[ . 1 . 2]" 1
510 1 41 PHE HB3 1 41 PHE QE 4.000 . 5.000 4.438 4.410 4.503 . 0 0 "[ . 1 . 2]" 1
511 1 41 PHE QB 1 42 ARG H 4.000 . 5.000 3.438 1.753 4.037 0.047 1 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 22.156
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0231
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 5 ALA 0.139 0.032 9 0 "[ . 1 . 2]"
1 6 LYS 0.031 0.012 19 0 "[ . 1 . 2]"
1 7 ILE 0.216 0.075 8 0 "[ . 1 . 2]"
1 8 ALA 0.003 0.003 10 0 "[ . 1 . 2]"
1 9 ARG 0.152 0.032 9 0 "[ . 1 . 2]"
1 10 ILE 0.031 0.012 19 0 "[ . 1 . 2]"
1 11 ASN 0.258 0.075 8 0 "[ . 1 . 2]"
1 12 GLU 0.052 0.036 16 0 "[ . 1 . 2]"
1 13 LEU 0.013 0.013 15 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.080 0.041 15 0 "[ . 1 . 2]"
1 16 LYS 0.098 0.036 16 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.039 0.039 8 0 "[ . 1 . 2]"
1 20 GLY 0.050 0.018 2 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 0.239 0.056 12 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.047 0.018 20 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.239 0.056 12 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.047 0.018 20 0 "[ . 1 . 2]"
1 32 LYS 0.027 0.019 11 0 "[ . 1 . 2]"
1 33 LEU 0.093 0.052 2 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 0.147 0.089 11 0 "[ . 1 . 2]"
1 37 TYR 0.093 0.052 2 0 "[ . 1 . 2]"
1 40 GLY 0.121 0.089 11 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 5 ALA O 1 9 ARG N 2.800 2.400 3.300 3.055 2.838 3.233 . 0 0 "[ . 1 . 2]" 2
2 1 5 ALA O 1 9 ARG H 1.800 . 2.300 2.200 1.937 2.332 0.032 9 0 "[ . 1 . 2]" 2
3 1 6 LYS O 1 10 ILE N 2.800 2.400 3.300 3.030 2.707 3.252 . 0 0 "[ . 1 . 2]" 2
4 1 6 LYS O 1 10 ILE H 1.800 . 2.300 2.112 1.775 2.312 0.012 19 0 "[ . 1 . 2]" 2
5 1 7 ILE O 1 11 ASN N 2.800 2.400 3.300 2.934 2.641 3.311 0.011 8 0 "[ . 1 . 2]" 2
6 1 7 ILE O 1 11 ASN H 1.800 . 2.300 2.019 1.745 2.375 0.075 8 0 "[ . 1 . 2]" 2
7 1 8 ALA O 1 12 GLU N 2.800 2.400 3.300 2.863 2.615 3.133 . 0 0 "[ . 1 . 2]" 2
8 1 8 ALA O 1 12 GLU H 1.800 . 2.300 1.957 1.705 2.303 0.003 10 0 "[ . 1 . 2]" 2
9 1 9 ARG O 1 13 LEU N 2.800 2.400 3.300 2.802 2.509 3.268 . 0 0 "[ . 1 . 2]" 2
10 1 9 ARG O 1 13 LEU H 1.800 . 2.300 1.849 1.561 2.313 0.013 15 0 "[ . 1 . 2]" 2
11 1 10 ILE O 1 14 ALA N 2.800 2.400 3.300 2.841 2.622 3.180 . 0 0 "[ . 1 . 2]" 2
12 1 10 ILE O 1 14 ALA H 1.800 . 2.300 1.907 1.685 2.204 . 0 0 "[ . 1 . 2]" 2
13 1 11 ASN O 1 15 ALA N 2.800 2.400 3.300 3.001 2.708 3.296 . 0 0 "[ . 1 . 2]" 2
14 1 11 ASN O 1 15 ALA H 1.800 . 2.300 2.050 1.827 2.341 0.041 15 0 "[ . 1 . 2]" 2
15 1 12 GLU O 1 16 LYS N 2.800 2.400 3.300 2.832 2.567 3.218 . 0 0 "[ . 1 . 2]" 2
16 1 12 GLU O 1 16 LYS H 1.800 . 2.300 1.955 1.663 2.336 0.036 16 0 "[ . 1 . 2]" 2
17 1 13 LEU O 1 17 ALA N 2.800 2.400 3.300 2.834 2.562 3.194 . 0 0 "[ . 1 . 2]" 2
18 1 13 LEU O 1 17 ALA H 1.800 . 2.300 1.884 1.623 2.247 . 0 0 "[ . 1 . 2]" 2
19 1 14 ALA O 1 18 LYS N 2.800 2.400 3.300 2.840 2.735 2.948 . 0 0 "[ . 1 . 2]" 2
20 1 14 ALA O 1 18 LYS H 1.800 . 2.300 2.153 1.979 2.297 . 0 0 "[ . 1 . 2]" 2
21 1 15 ALA O 1 19 ALA N 2.800 2.400 3.300 2.910 2.497 3.284 . 0 0 "[ . 1 . 2]" 2
22 1 15 ALA O 1 19 ALA H 1.800 . 2.300 1.976 1.717 2.339 0.039 8 0 "[ . 1 . 2]" 2
23 1 16 LYS O 1 20 GLY N 2.800 2.400 3.300 2.674 2.494 2.971 . 0 0 "[ . 1 . 2]" 2
24 1 16 LYS O 1 20 GLY H 1.800 . 2.300 2.021 1.711 2.318 0.018 2 0 "[ . 1 . 2]" 2
25 1 24 GLU O 1 28 ALA N 2.800 2.400 3.300 2.903 2.644 3.238 . 0 0 "[ . 1 . 2]" 2
26 1 24 GLU O 1 28 ALA H 1.800 . 2.300 1.996 1.785 2.289 . 0 0 "[ . 1 . 2]" 2
27 1 25 GLU O 1 29 GLU N 2.800 2.400 3.300 3.196 3.055 3.294 . 0 0 "[ . 1 . 2]" 2
28 1 25 GLU O 1 29 GLU H 1.800 . 2.300 2.279 2.114 2.356 0.056 12 0 "[ . 1 . 2]" 2
29 1 26 GLU O 1 30 GLN N 2.800 2.400 3.300 2.996 2.682 3.174 . 0 0 "[ . 1 . 2]" 2
30 1 26 GLU O 1 30 GLN H 1.800 . 2.300 2.051 1.713 2.237 . 0 0 "[ . 1 . 2]" 2
31 1 27 LYS O 1 31 GLN N 2.800 2.400 3.300 3.071 2.791 3.253 . 0 0 "[ . 1 . 2]" 2
32 1 27 LYS O 1 31 GLN H 1.800 . 2.300 2.218 1.960 2.318 0.018 20 0 "[ . 1 . 2]" 2
33 1 30 GLN O 1 34 ARG N 2.800 2.400 3.300 2.837 2.610 3.124 . 0 0 "[ . 1 . 2]" 2
34 1 30 GLN O 1 34 ARG H 1.800 . 2.300 1.915 1.692 2.163 . 0 0 "[ . 1 . 2]" 2
35 1 31 GLN O 1 35 GLN N 2.800 2.400 3.300 2.827 2.619 3.161 . 0 0 "[ . 1 . 2]" 2
36 1 31 GLN O 1 35 GLN H 1.800 . 2.300 1.920 1.715 2.184 . 0 0 "[ . 1 . 2]" 2
37 1 32 LYS O 1 36 GLU N 2.800 2.400 3.300 2.941 2.649 3.216 . 0 0 "[ . 1 . 2]" 2
38 1 32 LYS O 1 36 GLU H 1.800 . 2.300 2.035 1.747 2.319 0.019 11 0 "[ . 1 . 2]" 2
39 1 33 LEU O 1 37 TYR N 2.800 2.400 3.300 2.923 2.503 3.282 . 0 0 "[ . 1 . 2]" 2
40 1 33 LEU O 1 37 TYR H 1.800 . 2.300 1.985 1.558 2.352 0.052 2 0 "[ . 1 . 2]" 2
41 1 36 GLU O 1 40 GLY N 2.800 2.400 3.300 2.879 2.533 3.295 . 0 0 "[ . 1 . 2]" 2
42 1 36 GLU O 1 40 GLY H 1.800 . 2.300 2.092 1.580 2.389 0.089 11 0 "[ . 1 . 2]" 2
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