NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645472 |
6sy2   |
34437 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6sy2
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 716
_Distance_constraint_stats_list.Viol_count 532
_Distance_constraint_stats_list.Viol_total 182.246
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0042
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0171
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 0.031 0.010 6 0 "[ . 1 . 2]"
1 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASP 0.045 0.010 6 0 "[ . 1 . 2]"
1 6 LEU 0.083 0.016 6 0 "[ . 1 . 2]"
1 7 PRO 0.071 0.006 14 0 "[ . 1 . 2]"
1 8 VAL 0.068 0.009 11 0 "[ . 1 . 2]"
1 9 LYS 1.006 0.059 17 0 "[ . 1 . 2]"
1 10 VAL 0.674 0.040 17 0 "[ . 1 . 2]"
1 11 ILE 0.095 0.021 15 0 "[ . 1 . 2]"
1 12 HIS 1.306 0.057 18 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.035 0.021 15 0 "[ . 1 . 2]"
1 17 LYS 0.041 0.008 10 0 "[ . 1 . 2]"
1 18 ILE 0.121 0.015 3 0 "[ . 1 . 2]"
1 19 LEU 1.140 0.040 18 0 "[ . 1 . 2]"
1 20 THR 0.924 0.036 11 0 "[ . 1 . 2]"
1 21 GLY 0.457 0.065 3 0 "[ . 1 . 2]"
1 22 THR 1.400 0.067 9 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.488 0.034 3 0 "[ . 1 . 2]"
1 25 PRO 0.045 0.015 6 0 "[ . 1 . 2]"
1 26 LYS 0.055 0.016 6 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLN 0.023 0.007 6 0 "[ . 1 . 2]"
1 30 LEU 0.661 0.024 12 0 "[ . 1 . 2]"
1 31 GLU 0.890 0.045 15 0 "[ . 1 . 2]"
1 32 ALA 1.218 0.045 15 0 "[ . 1 . 2]"
1 33 TRP 1.106 0.024 12 0 "[ . 1 . 2]"
1 34 LEU 0.191 0.014 12 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASN 0.578 0.021 19 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 0.526 0.036 2 0 "[ . 1 . 2]"
1 40 TYR 3.129 0.057 18 0 "[ . 1 . 2]"
1 41 GLU 0.004 0.004 2 0 "[ . 1 . 2]"
1 42 VAL 0.230 0.072 17 0 "[ . 1 . 2]"
1 43 ALA 0.784 0.059 17 0 "[ . 1 . 2]"
1 44 PRO 0.009 0.004 16 0 "[ . 1 . 2]"
1 45 ARG 0.013 0.005 19 0 "[ . 1 . 2]"
1 46 SER 0.036 0.031 17 0 "[ . 1 . 2]"
1 47 ASP 0.036 0.031 17 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 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 3 MET H 1 3 MET HA 3.000 . 3.500 2.827 2.788 2.895 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET QB 1 3 MET ME 4.000 . 4.750 2.930 1.957 3.667 . 0 0 "[ . 1 . 2]" 1
3 1 5 ASP H 1 5 ASP QB 3.000 . 3.500 2.244 2.115 2.376 . 0 0 "[ . 1 . 2]" 1
4 1 6 LEU H 1 6 LEU HB3 4.000 . 4.750 3.608 3.493 3.719 . 0 0 "[ . 1 . 2]" 1
5 1 6 LEU H 1 6 LEU HB2 3.000 . 3.500 2.584 2.191 2.751 . 0 0 "[ . 1 . 2]" 1
6 1 6 LEU H 1 6 LEU HG 3.000 . 3.500 2.246 1.972 2.964 . 0 0 "[ . 1 . 2]" 1
7 1 6 LEU H 1 6 LEU MD1 5.000 . 6.000 3.568 3.152 3.952 . 0 0 "[ . 1 . 2]" 1
8 1 6 LEU H 1 6 LEU MD2 5.000 . 6.000 3.280 2.698 3.919 . 0 0 "[ . 1 . 2]" 1
9 1 6 LEU HA 1 6 LEU HB3 3.000 . 3.500 2.424 2.338 2.660 . 0 0 "[ . 1 . 2]" 1
10 1 6 LEU HA 1 6 LEU HG 4.000 . 4.750 3.148 2.705 3.430 . 0 0 "[ . 1 . 2]" 1
11 1 6 LEU HA 1 6 LEU MD2 4.000 . 4.750 2.166 1.934 2.479 . 0 0 "[ . 1 . 2]" 1
12 1 6 LEU HB3 1 6 LEU HG 3.000 . 3.500 3.012 2.975 3.020 . 0 0 "[ . 1 . 2]" 1
13 1 6 LEU HB3 1 6 LEU MD2 3.000 . 3.500 2.325 2.113 2.470 . 0 0 "[ . 1 . 2]" 1
14 1 6 LEU HB2 1 6 LEU HG 3.000 . 3.500 2.498 2.424 2.665 . 0 0 "[ . 1 . 2]" 1
15 1 6 LEU HB2 1 6 LEU MD1 3.000 . 3.500 2.265 2.030 2.409 . 0 0 "[ . 1 . 2]" 1
16 1 8 VAL H 1 8 VAL HA 3.000 . 3.500 2.949 2.946 2.950 . 0 0 "[ . 1 . 2]" 1
17 1 8 VAL H 1 8 VAL HB 3.000 . 3.500 2.716 2.681 2.729 . 0 0 "[ . 1 . 2]" 1
18 1 8 VAL H 1 8 VAL QG 4.000 . 4.750 2.545 2.470 2.643 . 0 0 "[ . 1 . 2]" 1
19 1 8 VAL HA 1 8 VAL QG 3.000 . 3.500 2.104 2.035 2.170 . 0 0 "[ . 1 . 2]" 1
20 1 9 LYS H 1 9 LYS HA 3.000 . 3.500 2.821 2.777 2.868 . 0 0 "[ . 1 . 2]" 1
21 1 9 LYS H 1 9 LYS QB 3.000 . 3.500 2.502 2.310 2.628 . 0 0 "[ . 1 . 2]" 1
22 1 9 LYS H 1 9 LYS QG 3.000 . 3.500 2.642 2.230 3.193 . 0 0 "[ . 1 . 2]" 1
23 1 9 LYS H 1 9 LYS QD 4.000 . 4.750 2.012 1.935 2.103 . 0 0 "[ . 1 . 2]" 1
24 1 9 LYS H 1 9 LYS QE 5.000 . 6.000 3.979 3.803 4.183 . 0 0 "[ . 1 . 2]" 1
25 1 9 LYS HA 1 9 LYS QD 4.000 . 4.750 3.678 3.310 3.887 . 0 0 "[ . 1 . 2]" 1
26 1 9 LYS HA 1 9 LYS QE 5.000 . 6.000 4.826 4.594 5.294 . 0 0 "[ . 1 . 2]" 1
27 1 9 LYS QB 1 9 LYS QD 3.000 . 3.500 2.098 1.975 2.250 . 0 0 "[ . 1 . 2]" 1
28 1 9 LYS QB 1 9 LYS QE 3.000 . 3.500 2.670 2.210 3.209 . 0 0 "[ . 1 . 2]" 1
29 1 9 LYS QE 1 9 LYS QG 3.000 . 3.500 2.121 1.935 2.677 . 0 0 "[ . 1 . 2]" 1
30 1 10 VAL H 1 10 VAL HB 4.000 . 4.750 3.897 3.710 3.975 . 0 0 "[ . 1 . 2]" 1
31 1 10 VAL H 1 10 VAL MG1 4.000 . 4.750 3.306 3.093 3.445 . 0 0 "[ . 1 . 2]" 1
32 1 10 VAL H 1 10 VAL MG2 4.000 . 4.750 2.421 2.092 2.574 . 0 0 "[ . 1 . 2]" 1
33 1 11 ILE H 1 11 ILE HB 4.000 . 4.750 3.203 3.099 3.332 . 0 0 "[ . 1 . 2]" 1
34 1 11 ILE H 1 11 ILE MG 4.000 . 4.750 2.070 1.941 2.302 . 0 0 "[ . 1 . 2]" 1
35 1 11 ILE H 1 11 ILE MD 4.000 . 4.750 4.255 3.880 4.750 . 0 0 "[ . 1 . 2]" 1
36 1 11 ILE H 1 11 ILE QG 4.000 . 4.750 4.143 4.047 4.298 . 0 0 "[ . 1 . 2]" 1
37 1 11 ILE HA 1 11 ILE MD 4.000 . 4.750 2.632 1.900 3.868 . 0 0 "[ . 1 . 2]" 1
38 1 11 ILE HB 1 11 ILE MD 3.000 . 3.500 2.700 2.355 3.207 . 0 0 "[ . 1 . 2]" 1
39 1 11 ILE MD 1 11 ILE MG 3.000 . 3.500 2.627 1.791 3.255 0.009 19 0 "[ . 1 . 2]" 1
40 1 11 ILE QG 1 11 ILE MG 3.000 . 3.500 2.256 2.065 2.531 . 0 0 "[ . 1 . 2]" 1
41 1 12 HIS H 1 12 HIS HA 3.000 . 3.500 2.907 2.885 2.925 . 0 0 "[ . 1 . 2]" 1
42 1 12 HIS H 1 12 HIS HB3 3.000 . 3.500 2.764 2.635 2.862 . 0 0 "[ . 1 . 2]" 1
43 1 12 HIS H 1 12 HIS HB2 4.000 . 4.750 2.456 2.339 2.584 . 0 0 "[ . 1 . 2]" 1
44 1 12 HIS H 1 12 HIS HD2 5.000 . 6.000 4.919 4.843 4.975 . 0 0 "[ . 1 . 2]" 1
45 1 12 HIS HA 1 12 HIS HD2 4.000 . 4.750 2.290 2.170 2.403 . 0 0 "[ . 1 . 2]" 1
46 1 12 HIS HB3 1 12 HIS HD2 4.000 . 4.750 3.717 3.532 3.912 . 0 0 "[ . 1 . 2]" 1
47 1 12 HIS HB2 1 12 HIS HD2 4.000 . 4.750 3.658 3.382 3.843 . 0 0 "[ . 1 . 2]" 1
48 1 13 VAL H 1 13 VAL HB 2.500 . 2.800 2.609 2.593 2.626 . 0 0 "[ . 1 . 2]" 1
49 1 13 VAL H 1 13 VAL MG2 3.000 . 3.500 2.231 2.096 2.367 . 0 0 "[ . 1 . 2]" 1
50 1 14 GLU H 1 14 GLU HA 3.000 . 3.500 2.833 2.806 2.836 . 0 0 "[ . 1 . 2]" 1
51 1 14 GLU H 1 14 GLU QB 3.000 . 3.500 2.193 2.066 2.454 . 0 0 "[ . 1 . 2]" 1
52 1 14 GLU H 1 14 GLU QG 4.000 . 4.750 3.643 2.171 4.049 . 0 0 "[ . 1 . 2]" 1
53 1 14 GLU HA 1 14 GLU QG 3.000 . 3.500 2.336 2.025 2.713 . 0 0 "[ . 1 . 2]" 1
54 1 15 SER H 1 15 SER QB 3.000 . 3.500 2.467 2.316 2.996 . 0 0 "[ . 1 . 2]" 1
55 1 17 LYS H 1 17 LYS HA 3.000 . 3.500 2.856 2.838 2.869 . 0 0 "[ . 1 . 2]" 1
56 1 17 LYS H 1 17 LYS QB 3.000 . 3.500 2.171 2.049 2.332 . 0 0 "[ . 1 . 2]" 1
57 1 17 LYS H 1 17 LYS QG 4.000 . 4.750 3.509 2.543 4.046 . 0 0 "[ . 1 . 2]" 1
58 1 17 LYS H 1 17 LYS QD 4.000 . 4.750 4.231 2.850 4.682 . 0 0 "[ . 1 . 2]" 1
59 1 17 LYS HA 1 17 LYS QG 3.000 . 3.500 2.250 2.046 2.646 . 0 0 "[ . 1 . 2]" 1
60 1 17 LYS HA 1 17 LYS QD 4.000 . 4.750 3.412 2.215 4.010 . 0 0 "[ . 1 . 2]" 1
61 1 17 LYS QB 1 17 LYS QD 3.000 . 3.500 2.138 1.955 2.487 . 0 0 "[ . 1 . 2]" 1
62 1 17 LYS QB 1 17 LYS QE 4.000 . 4.750 2.925 2.064 3.681 . 0 0 "[ . 1 . 2]" 1
63 1 17 LYS QE 1 17 LYS QG 3.000 . 3.500 2.169 1.957 2.511 . 0 0 "[ . 1 . 2]" 1
64 1 18 ILE H 1 18 ILE HB 2.500 . 2.800 2.768 2.715 2.815 0.015 3 0 "[ . 1 . 2]" 1
65 1 18 ILE H 1 18 ILE MG 4.000 . 4.750 3.904 3.882 3.923 . 0 0 "[ . 1 . 2]" 1
66 1 18 ILE H 1 18 ILE MD 4.000 . 4.750 3.142 2.126 4.052 . 0 0 "[ . 1 . 2]" 1
67 1 18 ILE H 1 18 ILE QG 4.000 . 4.750 2.763 2.571 3.133 . 0 0 "[ . 1 . 2]" 1
68 1 18 ILE HB 1 18 ILE MD 3.000 . 3.500 2.167 1.990 2.430 . 0 0 "[ . 1 . 2]" 1
69 1 18 ILE MD 1 18 ILE MG 3.000 . 3.500 2.629 1.930 3.125 . 0 0 "[ . 1 . 2]" 1
70 1 18 ILE QG 1 18 ILE MG 3.000 . 3.500 2.073 1.947 2.375 . 0 0 "[ . 1 . 2]" 1
71 1 19 LEU H 1 19 LEU HB3 4.000 . 4.750 3.666 3.618 3.720 . 0 0 "[ . 1 . 2]" 1
72 1 19 LEU H 1 19 LEU HB2 3.000 . 3.500 2.581 2.464 2.654 . 0 0 "[ . 1 . 2]" 1
73 1 19 LEU H 1 19 LEU HG 4.000 . 4.750 2.408 2.141 2.585 . 0 0 "[ . 1 . 2]" 1
74 1 19 LEU H 1 19 LEU QD 4.000 . 4.750 3.183 3.046 3.301 . 0 0 "[ . 1 . 2]" 1
75 1 19 LEU HA 1 19 LEU HG 3.000 . 3.500 3.038 2.992 3.095 . 0 0 "[ . 1 . 2]" 1
76 1 19 LEU HA 1 19 LEU QD 4.000 . 4.750 2.269 2.019 2.443 . 0 0 "[ . 1 . 2]" 1
77 1 19 LEU HB3 1 19 LEU HG 3.000 . 3.500 3.007 2.988 3.015 . 0 0 "[ . 1 . 2]" 1
78 1 19 LEU HB3 1 19 LEU QD 3.000 . 3.500 2.077 2.003 2.145 . 0 0 "[ . 1 . 2]" 1
79 1 19 LEU HB2 1 19 LEU HG 2.500 . 2.800 2.563 2.522 2.632 . 0 0 "[ . 1 . 2]" 1
80 1 19 LEU HB2 1 19 LEU QD 3.000 . 3.500 2.171 2.107 2.255 . 0 0 "[ . 1 . 2]" 1
81 1 20 THR H 1 20 THR HB 4.000 . 4.750 3.546 3.326 3.623 . 0 0 "[ . 1 . 2]" 1
82 1 20 THR H 1 20 THR MG 4.000 . 4.750 2.387 2.027 3.386 . 0 0 "[ . 1 . 2]" 1
83 1 22 THR H 1 22 THR HA 3.000 . 3.500 2.833 2.813 2.861 . 0 0 "[ . 1 . 2]" 1
84 1 22 THR H 1 22 THR HB 3.000 . 3.500 3.047 2.402 3.567 0.067 9 0 "[ . 1 . 2]" 1
85 1 22 THR H 1 22 THR MG 4.000 . 4.750 2.917 1.963 3.756 . 0 0 "[ . 1 . 2]" 1
86 1 22 THR HA 1 22 THR HB 3.000 . 3.500 2.712 2.355 3.020 . 0 0 "[ . 1 . 2]" 1
87 1 23 ASP H 1 23 ASP QB 3.000 . 3.500 2.294 2.201 2.464 . 0 0 "[ . 1 . 2]" 1
88 1 26 LYS H 1 26 LYS QB 3.000 . 3.500 2.395 2.065 2.820 . 0 0 "[ . 1 . 2]" 1
89 1 26 LYS H 1 26 LYS QG 3.000 . 3.500 2.457 1.927 3.449 . 0 0 "[ . 1 . 2]" 1
90 1 26 LYS H 1 26 LYS QD 4.000 . 4.750 4.068 3.491 4.399 . 0 0 "[ . 1 . 2]" 1
91 1 26 LYS H 1 26 LYS QE 5.000 . 6.000 4.705 3.944 5.405 . 0 0 "[ . 1 . 2]" 1
92 1 26 LYS HA 1 26 LYS QG 3.000 . 3.500 2.405 2.222 3.341 . 0 0 "[ . 1 . 2]" 1
93 1 26 LYS HA 1 26 LYS QD 4.000 . 4.750 3.893 3.610 4.170 . 0 0 "[ . 1 . 2]" 1
94 1 26 LYS HA 1 26 LYS QE 5.000 . 6.000 4.498 3.639 5.069 . 0 0 "[ . 1 . 2]" 1
95 1 26 LYS QB 1 26 LYS QD 3.000 . 3.500 2.076 1.934 2.156 . 0 0 "[ . 1 . 2]" 1
96 1 26 LYS QB 1 26 LYS QE 4.000 . 4.750 3.384 2.619 3.682 . 0 0 "[ . 1 . 2]" 1
97 1 26 LYS QE 1 26 LYS QG 3.000 . 3.500 2.148 1.953 2.435 . 0 0 "[ . 1 . 2]" 1
98 1 27 ALA H 1 27 ALA HA 3.000 . 3.500 2.794 2.763 2.813 . 0 0 "[ . 1 . 2]" 1
99 1 27 ALA H 1 27 ALA MB 3.000 . 3.500 2.120 2.036 2.234 . 0 0 "[ . 1 . 2]" 1
100 1 29 GLN H 1 29 GLN QB 3.000 . 3.500 2.442 2.091 2.919 . 0 0 "[ . 1 . 2]" 1
101 1 29 GLN H 1 29 GLN QG 4.000 . 4.750 2.836 1.950 4.042 . 0 0 "[ . 1 . 2]" 1
102 1 29 GLN QB 1 29 GLN HE22 3.000 . 3.500 3.379 3.181 3.502 0.002 1 0 "[ . 1 . 2]" 1
103 1 30 LEU H 1 30 LEU HB3 3.000 . 3.500 2.447 2.414 2.479 . 0 0 "[ . 1 . 2]" 1
104 1 30 LEU H 1 30 LEU HB2 3.000 . 3.500 2.575 2.543 2.607 . 0 0 "[ . 1 . 2]" 1
105 1 30 LEU H 1 30 LEU HG 4.000 . 4.750 4.427 4.409 4.442 . 0 0 "[ . 1 . 2]" 1
106 1 30 LEU H 1 30 LEU MD1 5.000 . 6.000 4.157 4.129 4.185 . 0 0 "[ . 1 . 2]" 1
107 1 30 LEU H 1 30 LEU MD2 5.000 . 6.000 4.193 4.153 4.232 . 0 0 "[ . 1 . 2]" 1
108 1 30 LEU HA 1 30 LEU HB3 3.000 . 3.500 3.015 3.013 3.016 . 0 0 "[ . 1 . 2]" 1
109 1 30 LEU HA 1 30 LEU HB2 2.500 . 2.800 2.410 2.400 2.422 . 0 0 "[ . 1 . 2]" 1
110 1 30 LEU HA 1 30 LEU HG 3.000 . 3.500 2.978 2.955 3.008 . 0 0 "[ . 1 . 2]" 1
111 1 30 LEU HA 1 30 LEU MD1 4.000 . 4.750 2.466 2.352 2.560 . 0 0 "[ . 1 . 2]" 1
112 1 30 LEU HA 1 30 LEU MD2 4.000 . 4.750 3.951 3.941 3.958 . 0 0 "[ . 1 . 2]" 1
113 1 30 LEU HB3 1 30 LEU HG 2.500 . 2.800 2.610 2.583 2.628 . 0 0 "[ . 1 . 2]" 1
114 1 30 LEU HB3 1 30 LEU MD2 3.000 . 3.500 2.174 2.022 2.240 . 0 0 "[ . 1 . 2]" 1
115 1 30 LEU HB2 1 30 LEU HG 3.000 . 3.500 2.997 2.992 3.004 . 0 0 "[ . 1 . 2]" 1
116 1 30 LEU HB2 1 30 LEU MD1 3.000 . 3.500 2.135 2.067 2.222 . 0 0 "[ . 1 . 2]" 1
117 1 30 LEU HB2 1 30 LEU MD2 3.000 . 3.500 2.561 2.507 2.649 . 0 0 "[ . 1 . 2]" 1
118 1 31 GLU H 1 31 GLU HA 3.000 . 3.500 2.761 2.750 2.770 . 0 0 "[ . 1 . 2]" 1
119 1 31 GLU H 1 31 GLU QB 3.000 . 3.500 2.257 2.043 2.643 . 0 0 "[ . 1 . 2]" 1
120 1 31 GLU H 1 31 GLU QG 4.000 . 4.750 2.777 2.010 3.544 . 0 0 "[ . 1 . 2]" 1
121 1 31 GLU HA 1 31 GLU QG 3.000 . 3.500 2.250 2.009 2.523 . 0 0 "[ . 1 . 2]" 1
122 1 32 ALA H 1 32 ALA HA 3.000 . 3.500 2.838 2.828 2.843 . 0 0 "[ . 1 . 2]" 1
123 1 32 ALA H 1 32 ALA MB 3.000 . 3.500 2.151 2.095 2.241 . 0 0 "[ . 1 . 2]" 1
124 1 33 TRP H 1 33 TRP HA 3.000 . 3.500 2.828 2.818 2.838 . 0 0 "[ . 1 . 2]" 1
125 1 33 TRP H 1 33 TRP HB3 3.000 . 3.500 2.679 2.647 2.736 . 0 0 "[ . 1 . 2]" 1
126 1 33 TRP H 1 33 TRP HB2 3.000 . 3.500 2.404 2.370 2.424 . 0 0 "[ . 1 . 2]" 1
127 1 33 TRP H 1 33 TRP HD1 5.000 . 6.000 4.806 4.738 4.846 . 0 0 "[ . 1 . 2]" 1
128 1 33 TRP H 1 33 TRP HE3 5.000 . 6.000 4.875 4.822 4.958 . 0 0 "[ . 1 . 2]" 1
129 1 33 TRP HA 1 33 TRP HB2 3.000 . 3.500 2.542 2.521 2.573 . 0 0 "[ . 1 . 2]" 1
130 1 33 TRP HA 1 33 TRP HD1 4.000 . 4.750 3.350 3.180 3.432 . 0 0 "[ . 1 . 2]" 1
131 1 33 TRP HA 1 33 TRP HE1 5.000 . 6.000 5.030 4.951 5.079 . 0 0 "[ . 1 . 2]" 1
132 1 33 TRP HA 1 33 TRP HE3 5.000 . 6.000 4.189 4.115 4.367 . 0 0 "[ . 1 . 2]" 1
133 1 33 TRP HB3 1 33 TRP HE1 5.000 . 6.000 5.226 5.216 5.244 . 0 0 "[ . 1 . 2]" 1
134 1 33 TRP HB3 1 33 TRP HE3 3.000 . 3.500 2.649 2.564 2.692 . 0 0 "[ . 1 . 2]" 1
135 1 33 TRP HB2 1 33 TRP HD1 3.000 . 3.500 2.623 2.602 2.669 . 0 0 "[ . 1 . 2]" 1
136 1 33 TRP HB2 1 33 TRP HE1 5.000 . 6.000 4.777 4.770 4.792 . 0 0 "[ . 1 . 2]" 1
137 1 33 TRP HB2 1 33 TRP HE3 4.000 . 4.750 4.151 4.108 4.170 . 0 0 "[ . 1 . 2]" 1
138 1 34 LEU H 1 34 LEU HA 3.000 . 3.500 2.825 2.793 2.843 . 0 0 "[ . 1 . 2]" 1
139 1 34 LEU H 1 34 LEU HG 3.000 . 3.500 2.726 2.313 3.363 . 0 0 "[ . 1 . 2]" 1
140 1 34 LEU H 1 34 LEU MD1 5.000 . 6.000 3.622 3.252 3.883 . 0 0 "[ . 1 . 2]" 1
141 1 34 LEU H 1 34 LEU MD2 5.000 . 6.000 3.771 3.425 4.289 . 0 0 "[ . 1 . 2]" 1
142 1 34 LEU H 1 34 LEU QB 3.000 . 3.500 2.259 2.080 2.414 . 0 0 "[ . 1 . 2]" 1
143 1 34 LEU HA 1 34 LEU HG 3.000 . 3.500 2.801 2.361 3.055 . 0 0 "[ . 1 . 2]" 1
144 1 34 LEU HA 1 34 LEU MD1 4.000 . 4.750 3.817 3.728 3.883 . 0 0 "[ . 1 . 2]" 1
145 1 34 LEU HA 1 34 LEU MD2 3.000 . 3.500 2.137 1.947 2.557 . 0 0 "[ . 1 . 2]" 1
146 1 34 LEU QB 1 34 LEU HG 2.500 . 2.800 2.396 2.336 2.490 . 0 0 "[ . 1 . 2]" 1
147 1 34 LEU QB 1 34 LEU MD1 3.000 . 3.500 2.065 1.940 2.102 . 0 0 "[ . 1 . 2]" 1
148 1 34 LEU QB 1 34 LEU MD2 3.000 . 3.500 2.221 2.025 2.300 . 0 0 "[ . 1 . 2]" 1
149 1 35 GLU H 1 35 GLU HA 3.000 . 3.500 2.806 2.799 2.816 . 0 0 "[ . 1 . 2]" 1
150 1 35 GLU H 1 35 GLU QB 3.000 . 3.500 2.165 2.043 2.576 . 0 0 "[ . 1 . 2]" 1
151 1 35 GLU H 1 35 GLU QG 4.000 . 4.750 3.384 1.964 4.053 . 0 0 "[ . 1 . 2]" 1
152 1 35 GLU HA 1 35 GLU QG 3.000 . 3.500 2.299 2.029 3.336 . 0 0 "[ . 1 . 2]" 1
153 1 36 MET H 1 36 MET QB 3.000 . 3.500 2.208 2.082 2.437 . 0 0 "[ . 1 . 2]" 1
154 1 36 MET H 1 36 MET QG 4.000 . 4.750 3.642 2.288 4.053 . 0 0 "[ . 1 . 2]" 1
155 1 36 MET HA 1 36 MET QG 3.000 . 3.500 2.297 2.014 2.908 . 0 0 "[ . 1 . 2]" 1
156 1 36 MET QB 1 36 MET ME 4.000 . 4.750 2.965 2.055 3.727 . 0 0 "[ . 1 . 2]" 1
157 1 37 ASN H 1 37 ASN HB3 4.000 . 4.750 3.776 3.713 3.860 . 0 0 "[ . 1 . 2]" 1
158 1 37 ASN H 1 37 ASN HB2 4.000 . 4.750 2.688 2.579 2.818 . 0 0 "[ . 1 . 2]" 1
159 1 37 ASN H 1 37 ASN HD21 4.000 . 4.750 2.695 2.068 2.987 . 0 0 "[ . 1 . 2]" 1
160 1 37 ASN H 1 37 ASN HD22 4.000 . 4.750 3.877 3.570 4.098 . 0 0 "[ . 1 . 2]" 1
161 1 37 ASN HA 1 37 ASN HD22 5.000 . 6.000 4.519 4.312 4.616 . 0 0 "[ . 1 . 2]" 1
162 1 37 ASN HB2 1 37 ASN HD22 4.000 . 4.750 3.471 3.449 3.538 . 0 0 "[ . 1 . 2]" 1
163 1 40 TYR H 1 40 TYR HB3 4.000 . 4.750 3.505 3.476 3.531 . 0 0 "[ . 1 . 2]" 1
164 1 40 TYR H 1 40 TYR HB2 3.000 . 3.500 2.230 2.202 2.261 . 0 0 "[ . 1 . 2]" 1
165 1 40 TYR H 1 40 TYR QD 3.000 . 3.500 2.798 2.598 3.033 . 0 0 "[ . 1 . 2]" 1
166 1 40 TYR H 1 40 TYR QE 5.000 . 6.000 5.032 4.853 5.261 . 0 0 "[ . 1 . 2]" 1
167 1 40 TYR HA 1 40 TYR QD 4.000 . 4.750 3.027 2.977 3.054 . 0 0 "[ . 1 . 2]" 1
168 1 40 TYR HA 1 40 TYR QE 5.000 . 6.000 4.536 4.501 4.555 . 0 0 "[ . 1 . 2]" 1
169 1 40 TYR HB3 1 40 TYR QD 3.000 . 3.500 2.354 2.334 2.382 . 0 0 "[ . 1 . 2]" 1
170 1 40 TYR HB2 1 40 TYR QD 3.000 . 3.500 2.445 2.408 2.475 . 0 0 "[ . 1 . 2]" 1
171 1 41 GLU H 1 41 GLU QG 4.000 . 4.750 3.228 2.278 3.498 . 0 0 "[ . 1 . 2]" 1
172 1 42 VAL H 1 42 VAL HB 3.000 . 3.500 2.821 2.605 3.572 0.072 17 0 "[ . 1 . 2]" 1
173 1 42 VAL H 1 42 VAL MG1 4.000 . 4.750 3.564 2.452 3.780 . 0 0 "[ . 1 . 2]" 1
174 1 42 VAL H 1 42 VAL MG2 4.000 . 4.750 1.993 1.940 2.090 . 0 0 "[ . 1 . 2]" 1
175 1 42 VAL HA 1 42 VAL HB 3.000 . 3.500 2.951 2.566 3.021 . 0 0 "[ . 1 . 2]" 1
176 1 42 VAL HA 1 42 VAL MG1 3.000 . 3.500 2.260 2.139 2.379 . 0 0 "[ . 1 . 2]" 1
177 1 43 ALA H 1 43 ALA HA 3.000 . 3.500 2.890 2.815 2.936 . 0 0 "[ . 1 . 2]" 1
178 1 43 ALA H 1 43 ALA MB 3.000 . 3.500 2.165 2.117 2.283 . 0 0 "[ . 1 . 2]" 1
179 1 45 ARG H 1 45 ARG QB 3.000 . 3.500 2.608 2.042 3.368 . 0 0 "[ . 1 . 2]" 1
180 1 45 ARG H 1 45 ARG QG 3.000 . 3.500 2.723 1.985 3.505 0.005 19 0 "[ . 1 . 2]" 1
181 1 45 ARG H 1 45 ARG QD 5.000 . 6.000 3.587 1.966 4.864 . 0 0 "[ . 1 . 2]" 1
182 1 45 ARG QB 1 45 ARG QD 3.000 . 3.500 2.125 1.935 2.652 . 0 0 "[ . 1 . 2]" 1
183 1 49 GLU H 1 49 GLU QB 3.000 . 3.500 2.680 2.158 3.400 . 0 0 "[ . 1 . 2]" 1
184 1 1 SER HA 1 2 GLN H 4.000 . 4.750 2.796 2.147 3.573 . 0 0 "[ . 1 . 2]" 1
185 1 1 SER QB 1 2 GLN H 5.000 . 6.000 3.232 2.014 4.048 . 0 0 "[ . 1 . 2]" 1
186 1 2 GLN H 1 3 MET H 4.000 . 4.750 3.385 2.053 4.568 . 0 0 "[ . 1 . 2]" 1
187 1 2 GLN HA 1 3 MET H 4.000 . 4.750 2.638 2.141 3.569 . 0 0 "[ . 1 . 2]" 1
188 1 2 GLN QB 1 3 MET H 4.000 . 4.750 3.257 2.230 3.858 . 0 0 "[ . 1 . 2]" 1
189 1 3 MET H 1 4 SER H 4.000 . 4.750 2.584 2.326 2.694 . 0 0 "[ . 1 . 2]" 1
190 1 3 MET HA 1 4 SER H 4.000 . 4.750 3.496 3.460 3.547 . 0 0 "[ . 1 . 2]" 1
191 1 3 MET QB 1 4 SER H 4.000 . 4.750 2.998 2.593 3.591 . 0 0 "[ . 1 . 2]" 1
192 1 4 SER H 1 5 ASP H 4.000 . 4.750 2.640 2.496 2.729 . 0 0 "[ . 1 . 2]" 1
193 1 4 SER HA 1 5 ASP H 3.000 . 3.500 3.466 3.441 3.491 . 0 0 "[ . 1 . 2]" 1
194 1 4 SER QB 1 5 ASP H 4.000 . 4.750 3.126 2.810 3.652 . 0 0 "[ . 1 . 2]" 1
195 1 5 ASP H 1 6 LEU H 3.000 . 3.500 2.369 2.103 2.685 . 0 0 "[ . 1 . 2]" 1
196 1 5 ASP H 1 6 LEU HB2 5.000 . 6.000 4.692 4.251 4.998 . 0 0 "[ . 1 . 2]" 1
197 1 5 ASP H 1 6 LEU HG 5.000 . 6.000 3.657 3.257 4.102 . 0 0 "[ . 1 . 2]" 1
198 1 5 ASP H 1 6 LEU MD2 5.000 . 6.000 4.576 3.742 5.346 . 0 0 "[ . 1 . 2]" 1
199 1 5 ASP HA 1 6 LEU H 4.000 . 4.750 3.398 3.082 3.480 . 0 0 "[ . 1 . 2]" 1
200 1 5 ASP HA 1 6 LEU HG 5.000 . 6.000 5.265 4.987 5.756 . 0 0 "[ . 1 . 2]" 1
201 1 5 ASP QB 1 6 LEU H 4.000 . 4.750 3.066 2.866 3.670 . 0 0 "[ . 1 . 2]" 1
202 1 6 LEU H 1 7 PRO HA 5.000 . 6.000 5.613 5.308 5.782 . 0 0 "[ . 1 . 2]" 1
203 1 6 LEU H 1 7 PRO QD 5.000 . 6.000 4.405 4.384 4.416 . 0 0 "[ . 1 . 2]" 1
204 1 6 LEU HA 1 7 PRO QG 4.000 . 4.750 4.018 3.973 4.125 . 0 0 "[ . 1 . 2]" 1
205 1 6 LEU HA 1 7 PRO QD 2.500 . 2.800 2.094 2.045 2.188 . 0 0 "[ . 1 . 2]" 1
206 1 6 LEU HB3 1 7 PRO QD 2.500 . 2.800 2.138 1.968 2.326 . 0 0 "[ . 1 . 2]" 1
207 1 6 LEU HB2 1 7 PRO QD 3.000 . 3.500 3.500 3.467 3.506 0.006 14 0 "[ . 1 . 2]" 1
208 1 6 LEU MD1 1 7 PRO QD 4.000 . 4.750 3.939 3.351 4.270 . 0 0 "[ . 1 . 2]" 1
209 1 6 LEU MD2 1 7 PRO QD 4.000 . 4.750 2.756 1.796 3.253 0.004 17 0 "[ . 1 . 2]" 1
210 1 7 PRO HA 1 8 VAL H 2.500 . 2.800 2.232 2.173 2.287 . 0 0 "[ . 1 . 2]" 1
211 1 7 PRO HA 1 8 VAL HB 4.000 . 4.750 4.715 4.695 4.735 . 0 0 "[ . 1 . 2]" 1
212 1 7 PRO QB 1 8 VAL H 4.000 . 4.750 2.964 2.804 3.185 . 0 0 "[ . 1 . 2]" 1
213 1 7 PRO QD 1 8 VAL H 5.000 . 6.000 4.995 4.984 5.005 . 0 0 "[ . 1 . 2]" 1
214 1 8 VAL H 1 9 LYS H 5.000 . 6.000 4.312 4.230 4.414 . 0 0 "[ . 1 . 2]" 1
215 1 8 VAL HA 1 9 LYS H 2.500 . 2.800 2.151 2.141 2.176 . 0 0 "[ . 1 . 2]" 1
216 1 8 VAL HA 1 9 LYS QG 4.000 . 4.750 4.259 3.818 4.756 0.006 18 0 "[ . 1 . 2]" 1
217 1 8 VAL HA 1 9 LYS QD 3.000 . 3.500 3.447 3.261 3.509 0.009 11 0 "[ . 1 . 2]" 1
218 1 8 VAL HB 1 9 LYS H 4.000 . 4.750 4.168 4.018 4.260 . 0 0 "[ . 1 . 2]" 1
219 1 8 VAL QG 1 9 LYS H 4.000 . 4.750 2.638 2.295 2.907 . 0 0 "[ . 1 . 2]" 1
220 1 9 LYS H 1 10 VAL H 4.000 . 4.750 4.601 4.571 4.629 . 0 0 "[ . 1 . 2]" 1
221 1 9 LYS HA 1 10 VAL H 3.000 . 3.500 2.439 2.176 2.550 . 0 0 "[ . 1 . 2]" 1
222 1 9 LYS HA 1 10 VAL MG1 5.000 . 6.000 3.688 3.402 4.038 . 0 0 "[ . 1 . 2]" 1
223 1 9 LYS HA 1 10 VAL MG2 5.000 . 6.000 3.392 3.259 3.583 . 0 0 "[ . 1 . 2]" 1
224 1 9 LYS QB 1 10 VAL H 3.000 . 3.500 2.353 2.151 3.030 . 0 0 "[ . 1 . 2]" 1
225 1 9 LYS QG 1 10 VAL H 4.000 . 4.750 3.827 3.539 4.096 . 0 0 "[ . 1 . 2]" 1
226 1 10 VAL H 1 11 ILE H 5.000 . 6.000 4.369 4.274 4.493 . 0 0 "[ . 1 . 2]" 1
227 1 10 VAL HA 1 11 ILE H 3.000 . 3.500 2.355 2.239 2.556 . 0 0 "[ . 1 . 2]" 1
228 1 10 VAL HB 1 11 ILE H 3.000 . 3.500 2.506 2.063 2.889 . 0 0 "[ . 1 . 2]" 1
229 1 10 VAL MG1 1 11 ILE H 4.000 . 4.750 3.556 3.278 3.861 . 0 0 "[ . 1 . 2]" 1
230 1 11 ILE H 1 12 HIS H 5.000 . 6.000 4.304 4.213 4.327 . 0 0 "[ . 1 . 2]" 1
231 1 11 ILE HA 1 12 HIS H 3.000 . 3.500 2.148 2.138 2.159 . 0 0 "[ . 1 . 2]" 1
232 1 11 ILE HA 1 12 HIS HB3 5.000 . 6.000 4.901 4.760 5.006 . 0 0 "[ . 1 . 2]" 1
233 1 11 ILE HA 1 12 HIS HB2 5.000 . 6.000 4.273 4.214 4.359 . 0 0 "[ . 1 . 2]" 1
234 1 11 ILE HB 1 12 HIS H 4.000 . 4.750 4.172 4.118 4.224 . 0 0 "[ . 1 . 2]" 1
235 1 11 ILE MG 1 12 HIS H 4.000 . 4.750 4.035 3.954 4.091 . 0 0 "[ . 1 . 2]" 1
236 1 11 ILE QG 1 12 HIS H 4.000 . 4.750 2.838 2.483 3.112 . 0 0 "[ . 1 . 2]" 1
237 1 12 HIS H 1 13 VAL H 4.000 . 4.750 4.505 4.396 4.575 . 0 0 "[ . 1 . 2]" 1
238 1 12 HIS HA 1 13 VAL H 3.000 . 3.500 2.175 2.144 2.210 . 0 0 "[ . 1 . 2]" 1
239 1 12 HIS HB3 1 13 VAL H 4.000 . 4.750 3.946 3.780 4.117 . 0 0 "[ . 1 . 2]" 1
240 1 12 HIS HB2 1 13 VAL H 4.000 . 4.750 4.368 4.262 4.463 . 0 0 "[ . 1 . 2]" 1
241 1 12 HIS HD2 1 13 VAL H 5.000 . 6.000 2.201 1.880 2.920 . 0 0 "[ . 1 . 2]" 1
242 1 12 HIS HD2 1 13 VAL MG2 5.000 . 6.000 3.963 3.637 4.532 . 0 0 "[ . 1 . 2]" 1
243 1 13 VAL H 1 14 GLU H 3.000 . 3.500 2.308 2.277 2.364 . 0 0 "[ . 1 . 2]" 1
244 1 13 VAL HA 1 14 GLU H 4.000 . 4.750 3.493 3.450 3.526 . 0 0 "[ . 1 . 2]" 1
245 1 13 VAL HB 1 14 GLU H 4.000 . 4.750 2.850 2.641 3.071 . 0 0 "[ . 1 . 2]" 1
246 1 13 VAL MG1 1 14 GLU H 4.000 . 4.750 3.792 3.683 3.942 . 0 0 "[ . 1 . 2]" 1
247 1 13 VAL MG1 1 14 GLU HA 5.000 . 6.000 3.821 3.668 3.997 . 0 0 "[ . 1 . 2]" 1
248 1 13 VAL MG2 1 14 GLU H 4.000 . 4.750 3.792 3.692 3.890 . 0 0 "[ . 1 . 2]" 1
249 1 14 GLU H 1 15 SER H 3.000 . 3.500 2.600 2.577 2.679 . 0 0 "[ . 1 . 2]" 1
250 1 14 GLU HA 1 15 SER H 4.000 . 4.750 3.520 3.495 3.530 . 0 0 "[ . 1 . 2]" 1
251 1 14 GLU QB 1 15 SER H 3.000 . 3.500 2.726 2.645 2.859 . 0 0 "[ . 1 . 2]" 1
252 1 14 GLU QG 1 15 SER H 5.000 . 6.000 4.172 3.724 4.606 . 0 0 "[ . 1 . 2]" 1
253 1 15 SER H 1 16 GLY H 3.000 . 3.500 1.987 1.904 2.055 . 0 0 "[ . 1 . 2]" 1
254 1 15 SER H 1 16 GLY QA 5.000 . 6.000 3.972 3.904 4.041 . 0 0 "[ . 1 . 2]" 1
255 1 15 SER HA 1 16 GLY H 5.000 . 6.000 3.460 3.456 3.464 . 0 0 "[ . 1 . 2]" 1
256 1 15 SER QB 1 16 GLY H 4.000 . 4.750 3.056 2.966 3.618 . 0 0 "[ . 1 . 2]" 1
257 1 16 GLY H 1 17 LYS H 3.000 . 3.500 2.581 2.418 2.727 . 0 0 "[ . 1 . 2]" 1
258 1 16 GLY H 1 17 LYS QB 4.000 . 4.750 4.362 4.166 4.558 . 0 0 "[ . 1 . 2]" 1
259 1 16 GLY QA 1 17 LYS H 4.000 . 4.750 2.924 2.899 2.935 . 0 0 "[ . 1 . 2]" 1
260 1 17 LYS H 1 18 ILE H 4.000 . 4.750 4.618 4.605 4.632 . 0 0 "[ . 1 . 2]" 1
261 1 17 LYS HA 1 18 ILE H 2.500 . 2.800 2.289 2.220 2.339 . 0 0 "[ . 1 . 2]" 1
262 1 17 LYS HA 1 18 ILE HB 4.000 . 4.750 4.727 4.677 4.758 0.008 10 0 "[ . 1 . 2]" 1
263 1 17 LYS QB 1 18 ILE H 3.000 . 3.500 3.083 2.563 3.497 . 0 0 "[ . 1 . 2]" 1
264 1 17 LYS QB 1 18 ILE HA 5.000 . 6.000 4.177 4.034 4.457 . 0 0 "[ . 1 . 2]" 1
265 1 17 LYS QG 1 18 ILE H 4.000 . 4.750 2.850 1.975 4.239 . 0 0 "[ . 1 . 2]" 1
266 1 18 ILE H 1 19 LEU H 4.000 . 4.750 4.258 4.092 4.400 . 0 0 "[ . 1 . 2]" 1
267 1 18 ILE HA 1 19 LEU H 3.000 . 3.500 2.159 2.144 2.200 . 0 0 "[ . 1 . 2]" 1
268 1 18 ILE HA 1 19 LEU HG 4.000 . 4.750 3.784 3.564 4.057 . 0 0 "[ . 1 . 2]" 1
269 1 18 ILE HB 1 19 LEU H 4.000 . 4.750 4.173 3.913 4.336 . 0 0 "[ . 1 . 2]" 1
270 1 18 ILE MG 1 19 LEU H 4.000 . 4.750 2.752 2.263 3.092 . 0 0 "[ . 1 . 2]" 1
271 1 18 ILE QG 1 19 LEU H 4.000 . 4.750 4.340 4.216 4.418 . 0 0 "[ . 1 . 2]" 1
272 1 19 LEU H 1 20 THR H 4.000 . 4.750 4.513 4.416 4.555 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU HA 1 20 THR H 3.000 . 3.500 2.177 2.153 2.215 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU HB3 1 20 THR H 3.000 . 3.500 3.166 2.996 3.341 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU HB2 1 20 THR H 4.000 . 4.750 4.058 3.900 4.162 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU QD 1 20 THR H 4.000 . 4.750 3.619 3.412 3.827 . 0 0 "[ . 1 . 2]" 1
277 1 20 THR H 1 21 GLY H 4.000 . 4.750 4.584 4.581 4.586 . 0 0 "[ . 1 . 2]" 1
278 1 20 THR HA 1 21 GLY H 3.000 . 3.500 2.445 2.437 2.451 . 0 0 "[ . 1 . 2]" 1
279 1 20 THR HB 1 21 GLY H 3.000 . 3.500 2.623 2.599 2.657 . 0 0 "[ . 1 . 2]" 1
280 1 20 THR HB 1 21 GLY QA 4.000 . 4.750 4.260 3.950 4.392 . 0 0 "[ . 1 . 2]" 1
281 1 20 THR MG 1 21 GLY H 4.000 . 4.750 3.746 2.863 4.048 . 0 0 "[ . 1 . 2]" 1
282 1 20 THR MG 1 21 GLY QA 5.000 . 6.000 4.907 4.324 5.097 . 0 0 "[ . 1 . 2]" 1
283 1 21 GLY H 1 22 THR H 2.500 . 2.800 2.817 2.770 2.865 0.065 3 0 "[ . 1 . 2]" 1
284 1 21 GLY QA 1 22 THR H 3.000 . 3.500 2.870 2.837 2.906 . 0 0 "[ . 1 . 2]" 1
285 1 21 GLY QA 1 22 THR MG 5.000 . 6.000 4.573 3.709 5.302 . 0 0 "[ . 1 . 2]" 1
286 1 22 THR H 1 23 ASP H 4.000 . 4.750 2.645 2.559 2.705 . 0 0 "[ . 1 . 2]" 1
287 1 22 THR HA 1 23 ASP H 4.000 . 4.750 3.552 3.545 3.557 . 0 0 "[ . 1 . 2]" 1
288 1 22 THR HB 1 23 ASP H 4.000 . 4.750 3.151 2.544 3.894 . 0 0 "[ . 1 . 2]" 1
289 1 22 THR MG 1 23 ASP H 4.000 . 4.750 3.579 1.878 4.120 . 0 0 "[ . 1 . 2]" 1
290 1 23 ASP H 1 24 ALA H 3.000 . 3.500 2.161 2.146 2.178 . 0 0 "[ . 1 . 2]" 1
291 1 23 ASP H 1 24 ALA MB 5.000 . 6.000 3.810 3.720 3.866 . 0 0 "[ . 1 . 2]" 1
292 1 23 ASP HA 1 24 ALA H 4.000 . 4.750 3.454 3.432 3.497 . 0 0 "[ . 1 . 2]" 1
293 1 23 ASP QB 1 24 ALA H 5.000 . 6.000 2.952 2.802 3.091 . 0 0 "[ . 1 . 2]" 1
294 1 24 ALA H 1 25 PRO QD 5.000 . 6.000 4.383 4.368 4.393 . 0 0 "[ . 1 . 2]" 1
295 1 24 ALA HA 1 25 PRO QD 3.000 . 3.500 2.138 2.089 2.158 . 0 0 "[ . 1 . 2]" 1
296 1 24 ALA MB 1 25 PRO QG 5.000 . 6.000 3.596 3.413 3.762 . 0 0 "[ . 1 . 2]" 1
297 1 24 ALA MB 1 25 PRO QD 4.000 . 4.750 2.009 1.910 2.209 . 0 0 "[ . 1 . 2]" 1
298 1 25 PRO HA 1 26 LYS H 3.000 . 3.500 2.349 2.294 2.364 . 0 0 "[ . 1 . 2]" 1
299 1 25 PRO QB 1 26 LYS H 3.000 . 3.500 2.662 2.635 2.796 . 0 0 "[ . 1 . 2]" 1
300 1 25 PRO QD 1 26 LYS H 5.000 . 6.000 4.968 4.960 4.986 . 0 0 "[ . 1 . 2]" 1
301 1 26 LYS H 1 27 ALA H 4.000 . 4.750 4.587 4.563 4.624 . 0 0 "[ . 1 . 2]" 1
302 1 26 LYS HA 1 27 ALA H 3.000 . 3.500 2.481 2.330 2.558 . 0 0 "[ . 1 . 2]" 1
303 1 26 LYS QB 1 27 ALA H 3.000 . 3.500 2.287 2.103 2.699 . 0 0 "[ . 1 . 2]" 1
304 1 27 ALA H 1 28 GLY H 4.000 . 4.750 2.748 2.638 2.810 . 0 0 "[ . 1 . 2]" 1
305 1 27 ALA HA 1 28 GLY H 4.000 . 4.750 3.527 3.477 3.563 . 0 0 "[ . 1 . 2]" 1
306 1 27 ALA MB 1 28 GLY H 4.000 . 4.750 2.643 2.370 2.941 . 0 0 "[ . 1 . 2]" 1
307 1 27 ALA MB 1 28 GLY QA 5.000 . 6.000 3.506 3.411 3.606 . 0 0 "[ . 1 . 2]" 1
308 1 28 GLY H 1 29 GLN H 4.000 . 4.750 2.574 2.542 2.692 . 0 0 "[ . 1 . 2]" 1
309 1 28 GLY QA 1 29 GLN H 4.000 . 4.750 2.762 2.754 2.771 . 0 0 "[ . 1 . 2]" 1
310 1 29 GLN H 1 30 LEU H 3.000 . 3.500 2.404 2.250 2.488 . 0 0 "[ . 1 . 2]" 1
311 1 29 GLN HA 1 30 LEU H 5.000 . 6.000 3.284 3.089 3.385 . 0 0 "[ . 1 . 2]" 1
312 1 29 GLN QB 1 30 LEU H 4.000 . 4.750 3.443 3.201 3.971 . 0 0 "[ . 1 . 2]" 1
313 1 30 LEU H 1 31 GLU H 4.000 . 4.750 2.814 2.734 2.865 . 0 0 "[ . 1 . 2]" 1
314 1 30 LEU HA 1 31 GLU H 4.000 . 4.750 3.562 3.551 3.568 . 0 0 "[ . 1 . 2]" 1
315 1 30 LEU HB3 1 31 GLU H 3.000 . 3.500 2.437 2.331 2.546 . 0 0 "[ . 1 . 2]" 1
316 1 30 LEU HB2 1 31 GLU H 4.000 . 4.750 3.829 3.760 3.900 . 0 0 "[ . 1 . 2]" 1
317 1 30 LEU HG 1 31 GLU H 4.000 . 4.750 3.516 3.455 3.582 . 0 0 "[ . 1 . 2]" 1
318 1 30 LEU HG 1 31 GLU HA 3.000 . 3.500 3.508 3.503 3.513 0.013 18 0 "[ . 1 . 2]" 1
319 1 30 LEU HG 1 31 GLU QG 4.000 . 4.750 4.250 3.979 4.675 . 0 0 "[ . 1 . 2]" 1
320 1 30 LEU MD1 1 31 GLU H 5.000 . 6.000 4.539 4.492 4.588 . 0 0 "[ . 1 . 2]" 1
321 1 30 LEU MD1 1 31 GLU QG 5.000 . 6.000 5.364 5.089 5.786 . 0 0 "[ . 1 . 2]" 1
322 1 30 LEU MD2 1 31 GLU H 5.000 . 6.000 3.706 3.601 3.846 . 0 0 "[ . 1 . 2]" 1
323 1 30 LEU MD2 1 31 GLU HA 5.000 . 6.000 4.074 3.962 4.197 . 0 0 "[ . 1 . 2]" 1
324 1 30 LEU MD2 1 31 GLU QG 5.000 . 6.000 3.641 3.252 4.177 . 0 0 "[ . 1 . 2]" 1
325 1 31 GLU H 1 32 ALA H 3.000 . 3.500 2.841 2.803 2.908 . 0 0 "[ . 1 . 2]" 1
326 1 31 GLU H 1 32 ALA MB 4.000 . 4.750 4.474 4.426 4.566 . 0 0 "[ . 1 . 2]" 1
327 1 31 GLU HA 1 32 ALA H 3.000 . 3.500 3.536 3.528 3.545 0.045 15 0 "[ . 1 . 2]" 1
328 1 31 GLU HA 1 32 ALA MB 5.000 . 6.000 5.021 5.010 5.032 . 0 0 "[ . 1 . 2]" 1
329 1 31 GLU QB 1 32 ALA H 3.000 . 3.500 2.558 2.336 2.704 . 0 0 "[ . 1 . 2]" 1
330 1 31 GLU QG 1 32 ALA H 4.000 . 4.750 4.295 4.026 4.467 . 0 0 "[ . 1 . 2]" 1
331 1 32 ALA H 1 33 TRP H 3.000 . 3.500 2.559 2.543 2.586 . 0 0 "[ . 1 . 2]" 1
332 1 32 ALA H 1 33 TRP HB3 5.000 . 6.000 4.976 4.912 5.066 . 0 0 "[ . 1 . 2]" 1
333 1 32 ALA H 1 33 TRP HB2 4.000 . 4.750 4.760 4.753 4.769 0.019 11 0 "[ . 1 . 2]" 1
334 1 32 ALA HA 1 33 TRP H 3.000 . 3.500 3.515 3.507 3.522 0.022 18 0 "[ . 1 . 2]" 1
335 1 32 ALA MB 1 33 TRP H 4.000 . 4.750 2.682 2.596 2.785 . 0 0 "[ . 1 . 2]" 1
336 1 32 ALA MB 1 33 TRP HB3 5.000 . 6.000 4.873 4.810 4.956 . 0 0 "[ . 1 . 2]" 1
337 1 32 ALA MB 1 33 TRP HB2 5.000 . 6.000 4.060 3.950 4.173 . 0 0 "[ . 1 . 2]" 1
338 1 32 ALA MB 1 33 TRP HD1 5.000 . 6.000 5.467 5.320 5.608 . 0 0 "[ . 1 . 2]" 1
339 1 33 TRP H 1 34 LEU H 4.000 . 4.750 2.634 2.549 2.777 . 0 0 "[ . 1 . 2]" 1
340 1 33 TRP HA 1 34 LEU H 4.000 . 4.750 3.537 3.503 3.567 . 0 0 "[ . 1 . 2]" 1
341 1 33 TRP HB3 1 34 LEU H 3.000 . 3.500 2.566 2.272 2.795 . 0 0 "[ . 1 . 2]" 1
342 1 33 TRP HB3 1 34 LEU MD2 5.000 . 6.000 4.447 3.810 5.416 . 0 0 "[ . 1 . 2]" 1
343 1 33 TRP HB2 1 34 LEU H 4.000 . 4.750 3.747 3.630 3.814 . 0 0 "[ . 1 . 2]" 1
344 1 33 TRP HD1 1 34 LEU H 5.000 . 6.000 5.892 5.711 6.009 0.009 19 0 "[ . 1 . 2]" 1
345 1 33 TRP HE3 1 34 LEU H 4.000 . 4.750 3.234 2.759 3.622 . 0 0 "[ . 1 . 2]" 1
346 1 33 TRP HE3 1 34 LEU HA 3.000 . 3.500 2.443 2.165 2.801 . 0 0 "[ . 1 . 2]" 1
347 1 33 TRP HE3 1 34 LEU MD1 5.000 . 6.000 4.426 4.138 4.904 . 0 0 "[ . 1 . 2]" 1
348 1 33 TRP HE3 1 34 LEU MD2 4.000 . 4.750 2.736 1.970 3.973 . 0 0 "[ . 1 . 2]" 1
349 1 33 TRP HZ3 1 34 LEU MD1 5.000 . 6.000 5.325 4.828 5.916 . 0 0 "[ . 1 . 2]" 1
350 1 33 TRP HZ3 1 34 LEU MD2 4.000 . 4.750 2.931 2.095 4.068 . 0 0 "[ . 1 . 2]" 1
351 1 34 LEU H 1 35 GLU H 4.000 . 4.750 2.633 2.559 2.738 . 0 0 "[ . 1 . 2]" 1
352 1 34 LEU HA 1 35 GLU H 4.000 . 4.750 3.542 3.533 3.556 . 0 0 "[ . 1 . 2]" 1
353 1 34 LEU MD1 1 35 GLU H 5.000 . 6.000 4.514 4.303 4.646 . 0 0 "[ . 1 . 2]" 1
354 1 34 LEU MD2 1 35 GLU H 5.000 . 6.000 4.650 4.520 4.749 . 0 0 "[ . 1 . 2]" 1
355 1 34 LEU QB 1 35 GLU H 3.000 . 3.500 2.572 2.484 2.658 . 0 0 "[ . 1 . 2]" 1
356 1 35 GLU H 1 36 MET H 3.000 . 3.500 2.674 2.642 2.702 . 0 0 "[ . 1 . 2]" 1
357 1 35 GLU HA 1 36 MET H 4.000 . 4.750 3.529 3.514 3.536 . 0 0 "[ . 1 . 2]" 1
358 1 35 GLU QB 1 36 MET H 4.000 . 4.750 2.698 2.554 3.362 . 0 0 "[ . 1 . 2]" 1
359 1 36 MET H 1 37 ASN H 4.000 . 4.750 2.423 2.378 2.479 . 0 0 "[ . 1 . 2]" 1
360 1 36 MET HA 1 37 ASN H 4.000 . 4.750 3.486 3.425 3.527 . 0 0 "[ . 1 . 2]" 1
361 1 36 MET QB 1 37 ASN H 3.000 . 3.500 2.834 2.607 3.057 . 0 0 "[ . 1 . 2]" 1
362 1 36 MET QB 1 37 ASN HD21 4.000 . 4.750 3.010 2.427 3.311 . 0 0 "[ . 1 . 2]" 1
363 1 36 MET QB 1 37 ASN HD22 4.000 . 4.750 2.884 2.584 3.128 . 0 0 "[ . 1 . 2]" 1
364 1 36 MET QG 1 37 ASN HD21 5.000 . 6.000 4.879 3.992 5.460 . 0 0 "[ . 1 . 2]" 1
365 1 36 MET QG 1 37 ASN HD22 5.000 . 6.000 4.438 3.230 5.180 . 0 0 "[ . 1 . 2]" 1
366 1 37 ASN H 1 38 PRO QD 4.000 . 4.750 3.263 2.731 3.525 . 0 0 "[ . 1 . 2]" 1
367 1 37 ASN HA 1 38 PRO QG 4.000 . 4.750 3.996 3.880 4.235 . 0 0 "[ . 1 . 2]" 1
368 1 37 ASN HA 1 38 PRO QD 3.000 . 3.500 2.108 1.988 2.339 . 0 0 "[ . 1 . 2]" 1
369 1 37 ASN HB3 1 38 PRO QD 4.000 . 4.750 4.049 3.940 4.239 . 0 0 "[ . 1 . 2]" 1
370 1 37 ASN HB2 1 38 PRO QD 5.000 . 6.000 4.389 4.346 4.406 . 0 0 "[ . 1 . 2]" 1
371 1 38 PRO HA 1 39 GLY H 3.000 . 3.500 2.230 2.201 2.271 . 0 0 "[ . 1 . 2]" 1
372 1 38 PRO QB 1 39 GLY H 4.000 . 4.750 2.975 2.882 3.068 . 0 0 "[ . 1 . 2]" 1
373 1 38 PRO QG 1 39 GLY H 4.000 . 4.750 4.539 4.450 4.663 . 0 0 "[ . 1 . 2]" 1
374 1 38 PRO QD 1 39 GLY H 5.000 . 6.000 4.990 4.955 5.008 . 0 0 "[ . 1 . 2]" 1
375 1 39 GLY H 1 40 TYR H 3.000 . 3.500 2.477 2.334 2.605 . 0 0 "[ . 1 . 2]" 1
376 1 39 GLY H 1 40 TYR QD 4.000 . 4.750 4.776 4.766 4.786 0.036 2 0 "[ . 1 . 2]" 1
377 1 39 GLY QA 1 40 TYR H 3.000 . 3.500 2.902 2.867 2.930 . 0 0 "[ . 1 . 2]" 1
378 1 40 TYR H 1 41 GLU H 5.000 . 6.000 4.581 4.558 4.605 . 0 0 "[ . 1 . 2]" 1
379 1 40 TYR HA 1 41 GLU H 3.000 . 3.500 2.321 2.214 2.382 . 0 0 "[ . 1 . 2]" 1
380 1 40 TYR HA 1 41 GLU QB 5.000 . 6.000 4.230 4.080 4.417 . 0 0 "[ . 1 . 2]" 1
381 1 40 TYR HB3 1 41 GLU H 4.000 . 4.750 2.699 2.524 3.036 . 0 0 "[ . 1 . 2]" 1
382 1 40 TYR HB2 1 41 GLU H 4.000 . 4.750 4.004 3.888 4.214 . 0 0 "[ . 1 . 2]" 1
383 1 40 TYR QD 1 41 GLU H 4.000 . 4.750 3.244 3.045 3.512 . 0 0 "[ . 1 . 2]" 1
384 1 41 GLU H 1 42 VAL H 4.000 . 4.750 4.362 4.326 4.417 . 0 0 "[ . 1 . 2]" 1
385 1 41 GLU HA 1 42 VAL H 4.000 . 4.750 2.283 2.246 2.460 . 0 0 "[ . 1 . 2]" 1
386 1 41 GLU HA 1 42 VAL MG1 5.000 . 6.000 5.288 4.048 5.533 . 0 0 "[ . 1 . 2]" 1
387 1 41 GLU HA 1 42 VAL MG2 5.000 . 6.000 3.602 3.430 3.779 . 0 0 "[ . 1 . 2]" 1
388 1 41 GLU QB 1 42 VAL H 3.000 . 3.500 2.741 2.296 2.866 . 0 0 "[ . 1 . 2]" 1
389 1 41 GLU QG 1 42 VAL H 4.000 . 4.750 4.056 3.811 4.342 . 0 0 "[ . 1 . 2]" 1
390 1 42 VAL H 1 43 ALA H 4.000 . 4.750 4.538 4.462 4.573 . 0 0 "[ . 1 . 2]" 1
391 1 42 VAL HA 1 43 ALA H 2.500 . 2.800 2.154 2.145 2.166 . 0 0 "[ . 1 . 2]" 1
392 1 42 VAL HA 1 43 ALA MB 4.000 . 4.750 3.937 3.896 3.992 . 0 0 "[ . 1 . 2]" 1
393 1 42 VAL HB 1 43 ALA H 4.000 . 4.750 4.014 3.218 4.234 . 0 0 "[ . 1 . 2]" 1
394 1 42 VAL MG1 1 43 ALA H 4.000 . 4.750 2.750 2.373 3.727 . 0 0 "[ . 1 . 2]" 1
395 1 42 VAL MG1 1 43 ALA HA 5.000 . 6.000 4.342 3.892 5.579 . 0 0 "[ . 1 . 2]" 1
396 1 42 VAL MG2 1 43 ALA H 4.000 . 4.750 4.146 4.101 4.213 . 0 0 "[ . 1 . 2]" 1
397 1 43 ALA H 1 44 PRO QD 4.000 . 4.750 4.265 3.917 4.413 . 0 0 "[ . 1 . 2]" 1
398 1 43 ALA HA 1 44 PRO QD 3.000 . 3.500 1.985 1.904 2.164 . 0 0 "[ . 1 . 2]" 1
399 1 43 ALA MB 1 44 PRO QD 3.000 . 3.500 2.739 2.102 3.302 . 0 0 "[ . 1 . 2]" 1
400 1 44 PRO HA 1 45 ARG H 2.500 . 2.800 2.307 2.288 2.315 . 0 0 "[ . 1 . 2]" 1
401 1 44 PRO HA 1 45 ARG QB 4.000 . 4.750 4.439 4.135 4.699 . 0 0 "[ . 1 . 2]" 1
402 1 44 PRO QB 1 45 ARG H 2.500 . 2.800 2.777 2.737 2.804 0.004 16 0 "[ . 1 . 2]" 1
403 1 44 PRO QG 1 45 ARG H 4.000 . 4.750 4.378 4.273 4.520 . 0 0 "[ . 1 . 2]" 1
404 1 44 PRO QD 1 45 ARG H 5.000 . 6.000 4.984 4.932 4.998 . 0 0 "[ . 1 . 2]" 1
405 1 45 ARG HA 1 46 SER H 3.000 . 3.500 2.443 2.149 3.481 . 0 0 "[ . 1 . 2]" 1
406 1 46 SER H 1 47 ASP H 4.000 . 4.750 2.493 1.973 2.993 . 0 0 "[ . 1 . 2]" 1
407 1 46 SER HA 1 47 ASP H 3.000 . 3.500 3.204 2.568 3.531 0.031 17 0 "[ . 1 . 2]" 1
408 1 46 SER QB 1 47 ASP H 4.000 . 4.750 3.325 2.583 4.042 . 0 0 "[ . 1 . 2]" 1
409 1 47 ASP H 1 48 SER H 4.000 . 4.750 3.838 2.003 4.620 . 0 0 "[ . 1 . 2]" 1
410 1 47 ASP HA 1 48 SER H 4.000 . 4.750 2.649 2.140 3.568 . 0 0 "[ . 1 . 2]" 1
411 1 47 ASP QB 1 48 SER H 5.000 . 6.000 2.933 1.987 3.993 . 0 0 "[ . 1 . 2]" 1
412 1 48 SER H 1 49 GLU H 4.000 . 4.750 3.334 2.003 4.539 . 0 0 "[ . 1 . 2]" 1
413 1 48 SER HA 1 49 GLU H 4.000 . 4.750 3.015 2.146 3.571 . 0 0 "[ . 1 . 2]" 1
414 1 48 SER QB 1 49 GLU H 3.000 . 3.500 2.537 1.991 3.253 . 0 0 "[ . 1 . 2]" 1
415 1 3 MET QB 1 5 ASP H 4.000 . 4.750 4.636 4.532 4.760 0.010 6 0 "[ . 1 . 2]" 1
416 1 4 SER HA 1 6 LEU H 5.000 . 6.000 4.135 3.501 4.488 . 0 0 "[ . 1 . 2]" 1
417 1 11 ILE MG 1 13 VAL H 5.000 . 6.000 4.814 4.542 5.126 . 0 0 "[ . 1 . 2]" 1
418 1 11 ILE MG 1 13 VAL HA 5.000 . 6.000 4.988 4.585 5.219 . 0 0 "[ . 1 . 2]" 1
419 1 17 LYS QE 1 19 LEU QD 4.000 . 4.750 3.729 2.132 4.734 . 0 0 "[ . 1 . 2]" 1
420 1 18 ILE MG 1 20 THR HA 5.000 . 6.000 4.047 3.935 4.113 . 0 0 "[ . 1 . 2]" 1
421 1 18 ILE MG 1 20 THR MG 5.000 . 6.000 3.889 3.446 4.229 . 0 0 "[ . 1 . 2]" 1
422 1 20 THR MG 1 22 THR HA 5.000 . 6.000 6.026 6.018 6.036 0.036 11 0 "[ . 1 . 2]" 1
423 1 21 GLY H 1 23 ASP H 4.000 . 4.750 4.677 4.651 4.698 . 0 0 "[ . 1 . 2]" 1
424 1 24 ALA MB 1 26 LYS H 5.000 . 6.000 5.554 5.510 5.596 . 0 0 "[ . 1 . 2]" 1
425 1 25 PRO QB 1 27 ALA H 5.000 . 6.000 5.729 5.639 5.770 . 0 0 "[ . 1 . 2]" 1
426 1 26 LYS HA 1 28 GLY H 5.000 . 6.000 4.462 4.056 4.745 . 0 0 "[ . 1 . 2]" 1
427 1 26 LYS QB 1 28 GLY H 4.000 . 4.750 2.728 2.322 2.949 . 0 0 "[ . 1 . 2]" 1
428 1 27 ALA H 1 29 GLN H 5.000 . 6.000 4.220 4.025 4.524 . 0 0 "[ . 1 . 2]" 1
429 1 27 ALA HA 1 29 GLN H 4.000 . 4.750 4.513 4.264 4.622 . 0 0 "[ . 1 . 2]" 1
430 1 28 GLY H 1 30 LEU H 5.000 . 6.000 3.827 3.754 3.874 . 0 0 "[ . 1 . 2]" 1
431 1 28 GLY QA 1 30 LEU H 4.000 . 4.750 3.729 3.636 3.957 . 0 0 "[ . 1 . 2]" 1
432 1 30 LEU H 1 32 ALA H 5.000 . 6.000 4.295 4.144 4.454 . 0 0 "[ . 1 . 2]" 1
433 1 30 LEU HA 1 32 ALA H 4.000 . 4.750 4.475 4.345 4.633 . 0 0 "[ . 1 . 2]" 1
434 1 31 GLU HA 1 33 TRP H 4.000 . 4.750 4.424 4.360 4.475 . 0 0 "[ . 1 . 2]" 1
435 1 32 ALA H 1 34 LEU H 5.000 . 6.000 4.165 3.986 4.404 . 0 0 "[ . 1 . 2]" 1
436 1 32 ALA HA 1 34 LEU H 5.000 . 6.000 4.464 4.269 4.806 . 0 0 "[ . 1 . 2]" 1
437 1 32 ALA MB 1 34 LEU H 5.000 . 6.000 4.614 4.455 4.818 . 0 0 "[ . 1 . 2]" 1
438 1 33 TRP H 1 35 GLU H 5.000 . 6.000 4.104 4.030 4.267 . 0 0 "[ . 1 . 2]" 1
439 1 35 GLU HA 1 37 ASN H 4.000 . 4.750 4.342 4.071 4.563 . 0 0 "[ . 1 . 2]" 1
440 1 36 MET HA 1 38 PRO QD 5.000 . 6.000 3.494 3.296 3.571 . 0 0 "[ . 1 . 2]" 1
441 1 38 PRO HA 1 40 TYR H 4.000 . 4.750 3.304 3.270 3.364 . 0 0 "[ . 1 . 2]" 1
442 1 38 PRO HA 1 40 TYR QD 5.000 . 6.000 4.794 4.713 4.934 . 0 0 "[ . 1 . 2]" 1
443 1 45 ARG QB 1 47 ASP H 3.000 . 3.500 2.839 2.273 3.462 . 0 0 "[ . 1 . 2]" 1
444 1 3 MET HA 1 6 LEU HB3 4.000 . 4.750 4.302 3.773 4.686 . 0 0 "[ . 1 . 2]" 1
445 1 3 MET HA 1 6 LEU HB2 4.000 . 4.750 2.992 2.202 3.977 . 0 0 "[ . 1 . 2]" 1
446 1 3 MET HA 1 6 LEU MD1 5.000 . 6.000 2.124 1.874 2.592 . 0 0 "[ . 1 . 2]" 1
447 1 3 MET HA 1 6 LEU MD2 5.000 . 6.000 3.881 3.020 4.887 . 0 0 "[ . 1 . 2]" 1
448 1 12 HIS HB3 1 15 SER H 4.000 . 4.750 2.889 2.569 3.304 . 0 0 "[ . 1 . 2]" 1
449 1 20 THR H 1 23 ASP QB 3.000 . 3.500 3.280 3.113 3.482 . 0 0 "[ . 1 . 2]" 1
450 1 20 THR MG 1 23 ASP H 5.000 . 6.000 4.343 4.090 4.977 . 0 0 "[ . 1 . 2]" 1
451 1 21 GLY H 1 24 ALA H 5.000 . 6.000 4.679 4.589 4.742 . 0 0 "[ . 1 . 2]" 1
452 1 21 GLY H 1 24 ALA MB 4.000 . 4.750 3.919 3.740 4.047 . 0 0 "[ . 1 . 2]" 1
453 1 26 LYS H 1 29 GLN QB 4.000 . 4.750 2.944 2.238 4.382 . 0 0 "[ . 1 . 2]" 1
454 1 26 LYS H 1 29 GLN QG 5.000 . 6.000 3.854 2.131 4.889 . 0 0 "[ . 1 . 2]" 1
455 1 26 LYS QB 1 29 GLN H 4.000 . 4.750 2.678 2.373 4.055 . 0 0 "[ . 1 . 2]" 1
456 1 26 LYS QB 1 29 GLN QG 4.000 . 4.750 3.309 2.123 4.757 0.007 6 0 "[ . 1 . 2]" 1
457 1 26 LYS QG 1 29 GLN H 4.000 . 4.750 4.489 2.481 4.751 0.001 1 0 "[ . 1 . 2]" 1
458 1 26 LYS QD 1 29 GLN H 4.000 . 4.750 4.457 2.717 4.754 0.004 13 0 "[ . 1 . 2]" 1
459 1 27 ALA HA 1 30 LEU H 4.000 . 4.750 3.622 3.303 3.788 . 0 0 "[ . 1 . 2]" 1
460 1 29 GLN HA 1 32 ALA H 4.000 . 4.750 3.388 3.316 3.455 . 0 0 "[ . 1 . 2]" 1
461 1 29 GLN HA 1 32 ALA MB 5.000 . 6.000 2.991 2.776 3.228 . 0 0 "[ . 1 . 2]" 1
462 1 29 GLN QG 1 32 ALA MB 5.000 . 6.000 4.025 2.620 4.842 . 0 0 "[ . 1 . 2]" 1
463 1 30 LEU HA 1 33 TRP H 3.000 . 3.500 3.359 3.312 3.405 . 0 0 "[ . 1 . 2]" 1
464 1 30 LEU HA 1 33 TRP HB3 3.000 . 3.500 2.624 2.494 2.760 . 0 0 "[ . 1 . 2]" 1
465 1 30 LEU HA 1 33 TRP HB2 4.000 . 4.750 3.132 3.033 3.208 . 0 0 "[ . 1 . 2]" 1
466 1 30 LEU MD1 1 33 TRP H 5.000 . 6.000 4.883 4.748 4.986 . 0 0 "[ . 1 . 2]" 1
467 1 30 LEU MD1 1 33 TRP HB3 5.000 . 6.000 3.297 3.148 3.416 . 0 0 "[ . 1 . 2]" 1
468 1 30 LEU MD1 1 33 TRP HB2 4.000 . 4.750 4.472 4.328 4.593 . 0 0 "[ . 1 . 2]" 1
469 1 30 LEU MD1 1 33 TRP HD1 5.000 . 6.000 6.002 5.959 6.009 0.009 14 0 "[ . 1 . 2]" 1
470 1 30 LEU MD2 1 33 TRP H 5.000 . 6.000 6.017 6.011 6.024 0.024 12 0 "[ . 1 . 2]" 1
471 1 30 LEU MD2 1 33 TRP HB3 5.000 . 6.000 5.488 5.446 5.551 . 0 0 "[ . 1 . 2]" 1
472 1 31 GLU H 1 34 LEU MD1 5.000 . 6.000 4.500 4.012 5.140 . 0 0 "[ . 1 . 2]" 1
473 1 31 GLU HA 1 34 LEU H 4.000 . 4.750 3.660 3.539 3.874 . 0 0 "[ . 1 . 2]" 1
474 1 31 GLU HA 1 34 LEU MD1 4.000 . 4.750 3.011 2.533 3.517 . 0 0 "[ . 1 . 2]" 1
475 1 31 GLU HA 1 34 LEU MD2 5.000 . 6.000 5.205 4.957 5.465 . 0 0 "[ . 1 . 2]" 1
476 1 31 GLU QG 1 34 LEU MD1 5.000 . 6.000 3.860 3.518 4.337 . 0 0 "[ . 1 . 2]" 1
477 1 32 ALA H 1 35 GLU H 5.000 . 6.000 4.764 4.688 4.849 . 0 0 "[ . 1 . 2]" 1
478 1 32 ALA HA 1 35 GLU H 4.000 . 4.750 3.520 3.430 3.637 . 0 0 "[ . 1 . 2]" 1
479 1 32 ALA HA 1 35 GLU QB 4.000 . 4.750 2.710 2.469 3.806 . 0 0 "[ . 1 . 2]" 1
480 1 32 ALA HA 1 35 GLU QG 5.000 . 6.000 4.060 1.946 4.722 . 0 0 "[ . 1 . 2]" 1
481 1 32 ALA MB 1 35 GLU H 5.000 . 6.000 4.679 4.602 4.764 . 0 0 "[ . 1 . 2]" 1
482 1 34 LEU HA 1 37 ASN H 4.000 . 4.750 3.260 3.168 3.366 . 0 0 "[ . 1 . 2]" 1
483 1 34 LEU HA 1 37 ASN HB3 4.000 . 4.750 4.759 4.756 4.764 0.014 12 0 "[ . 1 . 2]" 1
484 1 34 LEU HA 1 37 ASN HD21 5.000 . 6.000 3.901 3.643 4.108 . 0 0 "[ . 1 . 2]" 1
485 1 37 ASN HA 1 40 TYR QD 4.000 . 4.750 4.511 4.363 4.722 . 0 0 "[ . 1 . 2]" 1
486 1 37 ASN HB3 1 40 TYR HB2 5.000 . 6.000 4.336 4.105 4.694 . 0 0 "[ . 1 . 2]" 1
487 1 37 ASN HB3 1 40 TYR QD 3.000 . 3.500 2.929 2.750 3.199 . 0 0 "[ . 1 . 2]" 1
488 1 37 ASN HB3 1 40 TYR QE 4.000 . 4.750 3.200 3.045 3.429 . 0 0 "[ . 1 . 2]" 1
489 1 37 ASN HB2 1 40 TYR QD 3.000 . 3.500 3.513 3.507 3.521 0.021 19 0 "[ . 1 . 2]" 1
490 1 37 ASN HB2 1 40 TYR QE 4.000 . 4.750 4.466 4.345 4.607 . 0 0 "[ . 1 . 2]" 1
491 1 12 HIS HB3 1 16 GLY H 4.000 . 4.750 2.671 2.552 2.852 . 0 0 "[ . 1 . 2]" 1
492 1 19 LEU HB3 1 23 ASP QB 3.000 . 3.500 2.748 2.415 3.173 . 0 0 "[ . 1 . 2]" 1
493 1 19 LEU HB2 1 23 ASP QB 4.000 . 4.750 4.297 4.015 4.713 . 0 0 "[ . 1 . 2]" 1
494 1 19 LEU QD 1 23 ASP H 5.000 . 6.000 4.651 4.377 4.863 . 0 0 "[ . 1 . 2]" 1
495 1 19 LEU QD 1 23 ASP HA 5.000 . 6.000 4.757 4.382 5.090 . 0 0 "[ . 1 . 2]" 1
496 1 19 LEU QD 1 23 ASP QB 3.000 . 3.500 2.547 2.094 2.924 . 0 0 "[ . 1 . 2]" 1
497 1 20 THR HA 1 24 ALA MB 4.000 . 4.750 3.909 3.787 4.070 . 0 0 "[ . 1 . 2]" 1
498 1 20 THR HB 1 24 ALA MB 5.000 . 6.000 5.241 4.880 5.379 . 0 0 "[ . 1 . 2]" 1
499 1 30 LEU HA 1 34 LEU H 5.000 . 6.000 3.873 3.698 3.978 . 0 0 "[ . 1 . 2]" 1
500 1 30 LEU HG 1 34 LEU MD1 4.000 . 4.750 2.190 1.870 2.856 . 0 0 "[ . 1 . 2]" 1
501 1 30 LEU MD1 1 34 LEU H 5.000 . 6.000 4.103 3.889 4.316 . 0 0 "[ . 1 . 2]" 1
502 1 30 LEU MD2 1 34 LEU HG 5.000 . 6.000 4.051 3.684 4.540 . 0 0 "[ . 1 . 2]" 1
503 1 30 LEU MD2 1 34 LEU MD2 5.000 . 6.000 4.298 3.897 4.816 . 0 0 "[ . 1 . 2]" 1
504 1 32 ALA HA 1 36 MET H 5.000 . 6.000 4.130 4.072 4.188 . 0 0 "[ . 1 . 2]" 1
505 1 33 TRP HA 1 37 ASN HD21 4.000 . 4.750 2.793 2.565 2.932 . 0 0 "[ . 1 . 2]" 1
506 1 33 TRP HA 1 37 ASN HD22 5.000 . 6.000 3.313 3.205 3.404 . 0 0 "[ . 1 . 2]" 1
507 1 33 TRP HD1 1 37 ASN HD21 4.000 . 4.750 4.187 3.966 4.457 . 0 0 "[ . 1 . 2]" 1
508 1 33 TRP HD1 1 37 ASN HD22 4.000 . 4.750 3.815 3.545 4.122 . 0 0 "[ . 1 . 2]" 1
509 1 33 TRP HE1 1 37 ASN HB3 5.000 . 6.000 6.007 6.001 6.020 0.020 6 0 "[ . 1 . 2]" 1
510 1 33 TRP HE1 1 37 ASN HD21 5.000 . 6.000 4.275 4.071 4.730 . 0 0 "[ . 1 . 2]" 1
511 1 33 TRP HE1 1 37 ASN HD22 4.000 . 4.750 3.573 3.338 3.883 . 0 0 "[ . 1 . 2]" 1
512 1 5 ASP HA 1 26 LYS QB 4.000 . 4.750 4.442 3.729 4.756 0.006 3 0 "[ . 1 . 2]" 1
513 1 5 ASP HA 1 26 LYS QG 5.000 . 6.000 5.379 3.640 5.999 . 0 0 "[ . 1 . 2]" 1
514 1 5 ASP HA 1 26 LYS QD 4.000 . 4.750 4.338 3.334 4.751 0.001 10 0 "[ . 1 . 2]" 1
515 1 5 ASP H 1 27 ALA MB 5.000 . 6.000 4.438 3.824 4.996 . 0 0 "[ . 1 . 2]" 1
516 1 5 ASP HA 1 27 ALA MB 5.000 . 6.000 3.853 2.515 4.572 . 0 0 "[ . 1 . 2]" 1
517 1 6 LEU HA 1 26 LYS QG 5.000 . 6.000 5.493 4.105 6.016 0.016 6 0 "[ . 1 . 2]" 1
518 1 6 LEU H 1 27 ALA MB 5.000 . 6.000 4.280 3.559 4.927 . 0 0 "[ . 1 . 2]" 1
519 1 7 PRO QB 1 21 GLY QA 5.000 . 6.000 2.180 1.973 2.398 . 0 0 "[ . 1 . 2]" 1
520 1 7 PRO QG 1 21 GLY H 4.000 . 4.750 4.628 4.350 4.754 0.004 6 0 "[ . 1 . 2]" 1
521 1 7 PRO QG 1 21 GLY QA 4.000 . 4.750 2.476 2.185 2.633 . 0 0 "[ . 1 . 2]" 1
522 1 7 PRO HA 1 24 ALA MB 5.000 . 6.000 4.463 3.879 4.770 . 0 0 "[ . 1 . 2]" 1
523 1 7 PRO QB 1 24 ALA MB 3.000 . 3.500 3.148 2.760 3.440 . 0 0 "[ . 1 . 2]" 1
524 1 7 PRO HA 1 26 LYS QG 4.000 . 4.750 3.773 3.149 4.416 . 0 0 "[ . 1 . 2]" 1
525 1 7 PRO HA 1 27 ALA H 4.000 . 4.750 3.800 3.173 4.336 . 0 0 "[ . 1 . 2]" 1
526 1 7 PRO HA 1 30 LEU MD1 5.000 . 6.000 5.601 5.233 5.930 . 0 0 "[ . 1 . 2]" 1
527 1 8 VAL H 1 24 ALA MB 5.000 . 6.000 3.253 2.977 3.596 . 0 0 "[ . 1 . 2]" 1
528 1 8 VAL HB 1 25 PRO QG 4.000 . 4.750 4.576 4.087 4.752 0.002 3 0 "[ . 1 . 2]" 1
529 1 8 VAL H 1 26 LYS HA 4.000 . 4.750 3.537 2.667 4.011 . 0 0 "[ . 1 . 2]" 1
530 1 8 VAL QG 1 26 LYS HA 5.000 . 6.000 4.205 3.253 4.679 . 0 0 "[ . 1 . 2]" 1
531 1 8 VAL HB 1 27 ALA HA 5.000 . 6.000 4.462 4.014 4.889 . 0 0 "[ . 1 . 2]" 1
532 1 8 VAL QG 1 27 ALA H 4.000 . 4.750 3.804 2.971 4.490 . 0 0 "[ . 1 . 2]" 1
533 1 8 VAL QG 1 27 ALA HA 3.000 . 3.500 3.086 2.524 3.385 . 0 0 "[ . 1 . 2]" 1
534 1 8 VAL H 1 30 LEU MD1 5.000 . 6.000 4.047 3.763 4.406 . 0 0 "[ . 1 . 2]" 1
535 1 8 VAL HA 1 30 LEU MD1 5.000 . 6.000 5.193 4.853 5.436 . 0 0 "[ . 1 . 2]" 1
536 1 8 VAL HA 1 30 LEU MD2 5.000 . 6.000 5.725 5.082 6.007 0.007 18 0 "[ . 1 . 2]" 1
537 1 8 VAL HB 1 30 LEU MD1 4.000 . 4.750 2.749 2.432 2.960 . 0 0 "[ . 1 . 2]" 1
538 1 8 VAL QG 1 30 LEU H 5.000 . 6.000 5.553 5.072 5.788 . 0 0 "[ . 1 . 2]" 1
539 1 8 VAL QG 1 30 LEU MD1 3.000 . 3.500 3.115 2.698 3.398 . 0 0 "[ . 1 . 2]" 1
540 1 8 VAL HA 1 43 ALA H 5.000 . 6.000 5.738 5.393 6.004 0.004 3 0 "[ . 1 . 2]" 1
541 1 8 VAL QG 1 43 ALA H 4.000 . 4.750 3.292 3.007 3.560 . 0 0 "[ . 1 . 2]" 1
542 1 9 LYS HA 1 18 ILE MG 5.000 . 6.000 4.946 4.664 5.262 . 0 0 "[ . 1 . 2]" 1
543 1 9 LYS QB 1 18 ILE MG 3.000 . 3.500 3.227 2.899 3.508 0.008 7 0 "[ . 1 . 2]" 1
544 1 9 LYS QE 1 18 ILE MG 4.000 . 4.750 4.523 4.188 4.762 0.012 14 0 "[ . 1 . 2]" 1
545 1 9 LYS HA 1 19 LEU H 5.000 . 6.000 5.205 4.894 5.397 . 0 0 "[ . 1 . 2]" 1
546 1 9 LYS HA 1 20 THR MG 5.000 . 6.000 5.354 4.983 5.639 . 0 0 "[ . 1 . 2]" 1
547 1 9 LYS QG 1 20 THR HA 4.000 . 4.750 2.268 1.863 3.567 . 0 0 "[ . 1 . 2]" 1
548 1 9 LYS QG 1 20 THR HB 4.000 . 4.750 3.645 3.041 4.778 0.028 3 0 "[ . 1 . 2]" 1
549 1 9 LYS QD 1 20 THR HB 4.000 . 4.750 4.738 4.338 4.779 0.029 18 0 "[ . 1 . 2]" 1
550 1 9 LYS QE 1 20 THR HB 5.000 . 6.000 4.618 3.796 5.601 . 0 0 "[ . 1 . 2]" 1
551 1 9 LYS QE 1 20 THR MG 5.000 . 6.000 4.505 3.079 5.524 . 0 0 "[ . 1 . 2]" 1
552 1 9 LYS QG 1 21 GLY H 5.000 . 6.000 2.426 1.838 4.265 . 0 0 "[ . 1 . 2]" 1
553 1 9 LYS HA 1 24 ALA MB 5.000 . 6.000 2.137 1.984 2.409 . 0 0 "[ . 1 . 2]" 1
554 1 9 LYS H 1 42 VAL MG1 5.000 . 6.000 4.672 3.909 5.638 . 0 0 "[ . 1 . 2]" 1
555 1 9 LYS HA 1 43 ALA H 5.000 . 6.000 4.814 4.411 5.201 . 0 0 "[ . 1 . 2]" 1
556 1 9 LYS QB 1 43 ALA H 4.000 . 4.750 3.553 2.878 4.756 0.006 7 0 "[ . 1 . 2]" 1
557 1 9 LYS QD 1 43 ALA H 4.000 . 4.750 4.775 4.751 4.809 0.059 17 0 "[ . 1 . 2]" 1
558 1 10 VAL H 1 18 ILE MG 5.000 . 6.000 3.446 3.046 4.302 . 0 0 "[ . 1 . 2]" 1
559 1 10 VAL H 1 19 LEU H 4.000 . 4.750 3.253 2.931 3.583 . 0 0 "[ . 1 . 2]" 1
560 1 10 VAL H 1 19 LEU HB3 4.000 . 4.750 4.461 4.042 4.754 0.004 14 0 "[ . 1 . 2]" 1
561 1 10 VAL H 1 19 LEU QD 5.000 . 6.000 4.246 3.964 4.400 . 0 0 "[ . 1 . 2]" 1
562 1 10 VAL MG2 1 19 LEU H 4.000 . 4.750 2.792 2.508 3.274 . 0 0 "[ . 1 . 2]" 1
563 1 10 VAL MG2 1 19 LEU HG 3.000 . 3.500 3.077 2.787 3.506 0.006 15 0 "[ . 1 . 2]" 1
564 1 10 VAL H 1 24 ALA MB 5.000 . 6.000 3.231 2.413 3.589 . 0 0 "[ . 1 . 2]" 1
565 1 10 VAL MG1 1 24 ALA MB 4.000 . 4.750 2.953 2.433 3.701 . 0 0 "[ . 1 . 2]" 1
566 1 10 VAL MG1 1 25 PRO QD 4.000 . 4.750 2.932 2.426 3.704 . 0 0 "[ . 1 . 2]" 1
567 1 10 VAL MG2 1 25 PRO QD 4.000 . 4.750 2.753 2.449 2.979 . 0 0 "[ . 1 . 2]" 1
568 1 10 VAL MG1 1 33 TRP HZ3 4.000 . 4.750 3.837 3.361 4.197 . 0 0 "[ . 1 . 2]" 1
569 1 10 VAL MG2 1 33 TRP HH2 4.000 . 4.750 3.167 2.739 3.551 . 0 0 "[ . 1 . 2]" 1
570 1 10 VAL HA 1 40 TYR HB3 5.000 . 6.000 4.709 4.303 5.122 . 0 0 "[ . 1 . 2]" 1
571 1 10 VAL HA 1 40 TYR QD 5.000 . 6.000 4.056 3.566 4.221 . 0 0 "[ . 1 . 2]" 1
572 1 10 VAL HB 1 40 TYR HB3 3.000 . 3.500 2.373 2.100 2.597 . 0 0 "[ . 1 . 2]" 1
573 1 10 VAL HB 1 40 TYR HB2 4.000 . 4.750 4.086 3.793 4.332 . 0 0 "[ . 1 . 2]" 1
574 1 10 VAL HB 1 40 TYR QD 3.000 . 3.500 1.977 1.889 2.042 . 0 0 "[ . 1 . 2]" 1
575 1 10 VAL HB 1 40 TYR QE 5.000 . 6.000 4.121 3.995 4.226 . 0 0 "[ . 1 . 2]" 1
576 1 10 VAL MG1 1 40 TYR HB3 4.000 . 4.750 3.110 2.890 3.345 . 0 0 "[ . 1 . 2]" 1
577 1 10 VAL MG1 1 40 TYR HB2 4.000 . 4.750 4.322 4.067 4.613 . 0 0 "[ . 1 . 2]" 1
578 1 10 VAL MG1 1 40 TYR QD 3.000 . 3.500 3.519 3.503 3.536 0.036 19 0 "[ . 1 . 2]" 1
579 1 10 VAL MG2 1 40 TYR HB3 4.000 . 4.750 3.129 2.850 3.309 . 0 0 "[ . 1 . 2]" 1
580 1 10 VAL MG2 1 40 TYR QD 3.000 . 3.500 2.035 1.941 2.171 . 0 0 "[ . 1 . 2]" 1
581 1 10 VAL MG2 1 40 TYR QE 4.000 . 4.750 2.490 2.121 2.777 . 0 0 "[ . 1 . 2]" 1
582 1 10 VAL HB 1 41 GLU H 4.000 . 4.750 2.852 2.593 3.103 . 0 0 "[ . 1 . 2]" 1
583 1 10 VAL MG1 1 41 GLU H 5.000 . 6.000 3.853 3.398 4.172 . 0 0 "[ . 1 . 2]" 1
584 1 10 VAL HA 1 42 VAL HA 4.000 . 4.750 2.810 2.565 3.028 . 0 0 "[ . 1 . 2]" 1
585 1 10 VAL HA 1 42 VAL MG1 5.000 . 6.000 4.296 4.030 4.448 . 0 0 "[ . 1 . 2]" 1
586 1 10 VAL HA 1 42 VAL MG2 5.000 . 6.000 4.747 4.539 5.106 . 0 0 "[ . 1 . 2]" 1
587 1 10 VAL MG1 1 42 VAL H 5.000 . 6.000 3.825 2.991 4.421 . 0 0 "[ . 1 . 2]" 1
588 1 10 VAL MG1 1 42 VAL HA 4.000 . 4.750 2.209 1.956 2.713 . 0 0 "[ . 1 . 2]" 1
589 1 10 VAL MG1 1 42 VAL HB 5.000 . 6.000 4.772 4.227 5.302 . 0 0 "[ . 1 . 2]" 1
590 1 10 VAL MG1 1 42 VAL MG1 5.000 . 6.000 3.469 2.720 3.887 . 0 0 "[ . 1 . 2]" 1
591 1 10 VAL MG1 1 42 VAL MG2 5.000 . 6.000 3.404 2.636 4.487 . 0 0 "[ . 1 . 2]" 1
592 1 10 VAL HA 1 43 ALA H 3.000 . 3.500 2.393 2.232 2.479 . 0 0 "[ . 1 . 2]" 1
593 1 10 VAL HA 1 43 ALA MB 5.000 . 6.000 2.679 2.474 2.920 . 0 0 "[ . 1 . 2]" 1
594 1 10 VAL HB 1 43 ALA H 4.000 . 4.750 4.758 4.642 4.790 0.040 17 0 "[ . 1 . 2]" 1
595 1 10 VAL MG1 1 43 ALA H 4.000 . 4.750 3.132 2.939 3.419 . 0 0 "[ . 1 . 2]" 1
596 1 10 VAL MG1 1 43 ALA HA 5.000 . 6.000 5.305 5.038 5.702 . 0 0 "[ . 1 . 2]" 1
597 1 10 VAL MG1 1 43 ALA MB 5.000 . 6.000 3.927 3.747 4.146 . 0 0 "[ . 1 . 2]" 1
598 1 11 ILE MD 1 16 GLY H 4.000 . 4.750 4.156 3.656 4.771 0.021 15 0 "[ . 1 . 2]" 1
599 1 11 ILE MD 1 16 GLY QA 4.000 . 4.750 2.863 2.195 3.514 . 0 0 "[ . 1 . 2]" 1
600 1 11 ILE QG 1 16 GLY QA 4.000 . 4.750 3.765 2.788 4.452 . 0 0 "[ . 1 . 2]" 1
601 1 11 ILE HA 1 18 ILE HA 5.000 . 6.000 2.206 1.991 2.604 . 0 0 "[ . 1 . 2]" 1
602 1 11 ILE HA 1 18 ILE HB 5.000 . 6.000 4.814 4.335 5.180 . 0 0 "[ . 1 . 2]" 1
603 1 11 ILE HA 1 18 ILE MD 5.000 . 6.000 4.740 4.297 5.059 . 0 0 "[ . 1 . 2]" 1
604 1 11 ILE HA 1 18 ILE QG 5.000 . 6.000 3.137 2.634 3.456 . 0 0 "[ . 1 . 2]" 1
605 1 11 ILE HB 1 18 ILE HA 5.000 . 6.000 3.756 2.861 4.480 . 0 0 "[ . 1 . 2]" 1
606 1 11 ILE QG 1 18 ILE HA 5.000 . 6.000 3.850 2.671 4.771 . 0 0 "[ . 1 . 2]" 1
607 1 11 ILE HA 1 19 LEU H 5.000 . 6.000 3.279 2.947 3.533 . 0 0 "[ . 1 . 2]" 1
608 1 11 ILE H 1 40 TYR HA 5.000 . 6.000 3.894 3.585 4.054 . 0 0 "[ . 1 . 2]" 1
609 1 11 ILE H 1 40 TYR HB3 5.000 . 6.000 3.873 3.681 3.991 . 0 0 "[ . 1 . 2]" 1
610 1 11 ILE H 1 40 TYR QD 4.000 . 4.750 3.174 2.875 3.391 . 0 0 "[ . 1 . 2]" 1
611 1 11 ILE HA 1 40 TYR QD 5.000 . 6.000 3.661 3.309 3.861 . 0 0 "[ . 1 . 2]" 1
612 1 11 ILE HA 1 40 TYR QE 5.000 . 6.000 3.834 3.254 4.159 . 0 0 "[ . 1 . 2]" 1
613 1 11 ILE MG 1 40 TYR HA 5.000 . 6.000 3.960 3.872 4.089 . 0 0 "[ . 1 . 2]" 1
614 1 11 ILE MG 1 40 TYR QD 5.000 . 6.000 4.505 4.347 4.696 . 0 0 "[ . 1 . 2]" 1
615 1 11 ILE QG 1 40 TYR QD 5.000 . 6.000 5.362 5.017 5.552 . 0 0 "[ . 1 . 2]" 1
616 1 11 ILE QG 1 40 TYR QE 5.000 . 6.000 5.637 4.917 6.009 0.009 9 0 "[ . 1 . 2]" 1
617 1 11 ILE H 1 41 GLU H 4.000 . 4.750 2.099 1.965 2.181 . 0 0 "[ . 1 . 2]" 1
618 1 11 ILE MG 1 41 GLU H 4.000 . 4.750 2.671 2.420 2.983 . 0 0 "[ . 1 . 2]" 1
619 1 11 ILE MG 1 41 GLU QG 4.000 . 4.750 3.412 1.796 3.838 0.004 2 0 "[ . 1 . 2]" 1
620 1 11 ILE H 1 42 VAL HA 4.000 . 4.750 4.316 4.135 4.389 . 0 0 "[ . 1 . 2]" 1
621 1 11 ILE H 1 42 VAL MG2 5.000 . 6.000 5.563 5.403 5.753 . 0 0 "[ . 1 . 2]" 1
622 1 11 ILE H 1 43 ALA H 4.000 . 4.750 4.262 3.876 4.588 . 0 0 "[ . 1 . 2]" 1
623 1 11 ILE H 1 43 ALA HA 5.000 . 6.000 4.634 4.255 5.082 . 0 0 "[ . 1 . 2]" 1
624 1 11 ILE H 1 43 ALA MB 5.000 . 6.000 3.786 3.212 4.399 . 0 0 "[ . 1 . 2]" 1
625 1 11 ILE HB 1 43 ALA H 5.000 . 6.000 5.474 4.832 5.775 . 0 0 "[ . 1 . 2]" 1
626 1 11 ILE HB 1 43 ALA HA 4.000 . 4.750 4.207 3.661 4.601 . 0 0 "[ . 1 . 2]" 1
627 1 11 ILE MG 1 43 ALA H 4.000 . 4.750 4.392 3.697 4.702 . 0 0 "[ . 1 . 2]" 1
628 1 11 ILE MG 1 43 ALA HA 4.000 . 4.750 3.276 2.747 3.768 . 0 0 "[ . 1 . 2]" 1
629 1 11 ILE QG 1 43 ALA HA 5.000 . 6.000 5.644 4.980 6.003 0.003 15 0 "[ . 1 . 2]" 1
630 1 11 ILE MG 1 44 PRO QD 4.000 . 4.750 3.786 3.129 4.501 . 0 0 "[ . 1 . 2]" 1
631 1 12 HIS H 1 17 LYS H 4.000 . 4.750 3.974 3.567 4.373 . 0 0 "[ . 1 . 2]" 1
632 1 12 HIS H 1 17 LYS QB 4.000 . 4.750 4.029 3.598 4.283 . 0 0 "[ . 1 . 2]" 1
633 1 12 HIS HB3 1 17 LYS QB 3.000 . 3.500 3.300 2.820 3.507 0.007 15 0 "[ . 1 . 2]" 1
634 1 12 HIS HB2 1 17 LYS QB 4.000 . 4.750 3.589 3.224 3.807 . 0 0 "[ . 1 . 2]" 1
635 1 12 HIS H 1 18 ILE HA 5.000 . 6.000 3.138 2.740 3.567 . 0 0 "[ . 1 . 2]" 1
636 1 12 HIS H 1 19 LEU H 4.000 . 4.750 4.330 3.937 4.662 . 0 0 "[ . 1 . 2]" 1
637 1 12 HIS H 1 19 LEU QD 5.000 . 6.000 4.812 4.571 4.922 . 0 0 "[ . 1 . 2]" 1
638 1 12 HIS H 1 40 TYR QE 4.000 . 4.750 3.543 3.250 3.706 . 0 0 "[ . 1 . 2]" 1
639 1 12 HIS HA 1 40 TYR HA 4.000 . 4.750 2.086 2.021 2.159 . 0 0 "[ . 1 . 2]" 1
640 1 12 HIS HA 1 40 TYR QD 3.000 . 3.500 3.530 3.484 3.545 0.045 5 0 "[ . 1 . 2]" 1
641 1 12 HIS HA 1 40 TYR QE 4.000 . 4.750 4.178 4.104 4.207 . 0 0 "[ . 1 . 2]" 1
642 1 12 HIS HB3 1 40 TYR QD 4.000 . 4.750 4.784 4.764 4.807 0.057 18 0 "[ . 1 . 2]" 1
643 1 12 HIS HB3 1 40 TYR QE 4.000 . 4.750 4.047 4.008 4.075 . 0 0 "[ . 1 . 2]" 1
644 1 12 HIS HB2 1 40 TYR QD 4.000 . 4.750 3.508 3.425 3.616 . 0 0 "[ . 1 . 2]" 1
645 1 12 HIS HB2 1 40 TYR QE 3.000 . 3.500 2.779 2.652 2.855 . 0 0 "[ . 1 . 2]" 1
646 1 12 HIS HD2 1 40 TYR QD 4.000 . 4.750 3.402 2.499 4.110 . 0 0 "[ . 1 . 2]" 1
647 1 12 HIS HD2 1 40 TYR QE 4.000 . 4.750 4.194 3.505 4.710 . 0 0 "[ . 1 . 2]" 1
648 1 12 HIS HE1 1 40 TYR QE 5.000 . 6.000 3.366 2.887 4.230 . 0 0 "[ . 1 . 2]" 1
649 1 12 HIS HA 1 41 GLU H 4.000 . 4.750 3.902 3.777 4.014 . 0 0 "[ . 1 . 2]" 1
650 1 13 VAL H 1 40 TYR HA 4.000 . 4.750 3.410 3.222 3.628 . 0 0 "[ . 1 . 2]" 1
651 1 13 VAL H 1 40 TYR QD 5.000 . 6.000 4.959 4.855 5.121 . 0 0 "[ . 1 . 2]" 1
652 1 13 VAL MG2 1 40 TYR HA 5.000 . 6.000 3.808 3.672 3.996 . 0 0 "[ . 1 . 2]" 1
653 1 13 VAL H 1 41 GLU H 5.000 . 6.000 5.133 4.870 5.415 . 0 0 "[ . 1 . 2]" 1
654 1 13 VAL MG2 1 41 GLU H 4.000 . 4.750 4.465 4.219 4.674 . 0 0 "[ . 1 . 2]" 1
655 1 13 VAL MG2 1 41 GLU QG 3.000 . 3.500 2.896 2.456 3.266 . 0 0 "[ . 1 . 2]" 1
656 1 17 LYS H 1 40 TYR QE 5.000 . 6.000 5.575 5.265 5.926 . 0 0 "[ . 1 . 2]" 1
657 1 17 LYS QB 1 40 TYR QD 5.000 . 6.000 5.739 5.478 6.002 0.002 6 0 "[ . 1 . 2]" 1
658 1 17 LYS QB 1 40 TYR QE 4.000 . 4.750 4.083 3.827 4.425 . 0 0 "[ . 1 . 2]" 1
659 1 18 ILE HA 1 40 TYR QE 5.000 . 6.000 3.815 3.289 4.307 . 0 0 "[ . 1 . 2]" 1
660 1 18 ILE MG 1 43 ALA MB 4.000 . 4.750 2.790 2.213 3.491 . 0 0 "[ . 1 . 2]" 1
661 1 19 LEU HB3 1 24 ALA HA 4.000 . 4.750 3.315 3.035 3.658 . 0 0 "[ . 1 . 2]" 1
662 1 19 LEU HB2 1 24 ALA HA 3.000 . 3.500 3.524 3.515 3.534 0.034 3 0 "[ . 1 . 2]" 1
663 1 19 LEU QD 1 24 ALA HA 4.000 . 4.750 3.082 2.811 3.351 . 0 0 "[ . 1 . 2]" 1
664 1 19 LEU HB2 1 25 PRO QD 4.000 . 4.750 4.272 4.073 4.378 . 0 0 "[ . 1 . 2]" 1
665 1 19 LEU QD 1 25 PRO QD 5.000 . 6.000 3.352 3.051 3.540 . 0 0 "[ . 1 . 2]" 1
666 1 19 LEU QD 1 33 TRP HD1 5.000 . 6.000 5.766 5.476 6.004 0.004 6 0 "[ . 1 . 2]" 1
667 1 19 LEU QD 1 33 TRP HE1 5.000 . 6.000 4.170 3.815 4.446 . 0 0 "[ . 1 . 2]" 1
668 1 19 LEU QD 1 33 TRP HZ2 4.000 . 4.750 2.392 2.185 2.721 . 0 0 "[ . 1 . 2]" 1
669 1 19 LEU QD 1 33 TRP HH2 4.000 . 4.750 2.117 1.863 2.378 . 0 0 "[ . 1 . 2]" 1
670 1 19 LEU H 1 40 TYR QE 5.000 . 6.000 2.971 2.720 3.133 . 0 0 "[ . 1 . 2]" 1
671 1 19 LEU HA 1 40 TYR QE 4.000 . 4.750 4.782 4.772 4.790 0.040 18 0 "[ . 1 . 2]" 1
672 1 19 LEU HB3 1 40 TYR QE 5.000 . 6.000 4.460 4.325 4.628 . 0 0 "[ . 1 . 2]" 1
673 1 19 LEU HG 1 40 TYR QD 4.000 . 4.750 4.125 4.047 4.226 . 0 0 "[ . 1 . 2]" 1
674 1 19 LEU HG 1 40 TYR QE 3.000 . 3.500 1.960 1.943 1.978 . 0 0 "[ . 1 . 2]" 1
675 1 19 LEU QD 1 40 TYR QD 5.000 . 6.000 3.089 2.900 3.357 . 0 0 "[ . 1 . 2]" 1
676 1 19 LEU QD 1 40 TYR QE 3.000 . 3.500 2.101 1.985 2.428 . 0 0 "[ . 1 . 2]" 1
677 1 19 LEU H 1 43 ALA MB 5.000 . 6.000 4.815 4.339 5.312 . 0 0 "[ . 1 . 2]" 1
678 1 25 PRO QB 1 30 LEU HB3 4.000 . 4.750 4.688 4.540 4.755 0.005 13 0 "[ . 1 . 2]" 1
679 1 25 PRO QB 1 30 LEU MD1 3.000 . 3.500 3.407 3.260 3.505 0.005 17 0 "[ . 1 . 2]" 1
680 1 25 PRO QG 1 30 LEU HA 5.000 . 6.000 2.287 2.098 2.492 . 0 0 "[ . 1 . 2]" 1
681 1 25 PRO QG 1 30 LEU MD1 3.000 . 3.500 1.885 1.822 1.987 . 0 0 "[ . 1 . 2]" 1
682 1 25 PRO QG 1 30 LEU MD2 5.000 . 6.000 4.185 4.113 4.269 . 0 0 "[ . 1 . 2]" 1
683 1 25 PRO QB 1 32 ALA H 5.000 . 6.000 5.538 5.397 5.693 . 0 0 "[ . 1 . 2]" 1
684 1 25 PRO HA 1 33 TRP HD1 4.000 . 4.750 4.449 4.066 4.765 0.015 6 0 "[ . 1 . 2]" 1
685 1 25 PRO HA 1 33 TRP HE1 5.000 . 6.000 5.380 4.957 5.742 . 0 0 "[ . 1 . 2]" 1
686 1 25 PRO QB 1 33 TRP H 5.000 . 6.000 4.046 3.900 4.244 . 0 0 "[ . 1 . 2]" 1
687 1 25 PRO QB 1 33 TRP HB3 4.000 . 4.750 2.933 2.698 3.145 . 0 0 "[ . 1 . 2]" 1
688 1 25 PRO QB 1 33 TRP HB2 4.000 . 4.750 2.357 2.172 2.603 . 0 0 "[ . 1 . 2]" 1
689 1 25 PRO QB 1 33 TRP HD1 4.000 . 4.750 2.641 2.409 2.846 . 0 0 "[ . 1 . 2]" 1
690 1 25 PRO QB 1 33 TRP HE1 5.000 . 6.000 4.088 3.858 4.328 . 0 0 "[ . 1 . 2]" 1
691 1 25 PRO QG 1 33 TRP HB3 4.000 . 4.750 1.995 1.936 2.079 . 0 0 "[ . 1 . 2]" 1
692 1 25 PRO QG 1 33 TRP HB2 5.000 . 6.000 2.741 2.612 2.930 . 0 0 "[ . 1 . 2]" 1
693 1 25 PRO QG 1 33 TRP HD1 5.000 . 6.000 3.747 3.601 3.901 . 0 0 "[ . 1 . 2]" 1
694 1 25 PRO QG 1 33 TRP HE3 5.000 . 6.000 3.038 2.734 3.270 . 0 0 "[ . 1 . 2]" 1
695 1 25 PRO QD 1 33 TRP HB3 5.000 . 6.000 3.887 3.825 3.985 . 0 0 "[ . 1 . 2]" 1
696 1 25 PRO QD 1 33 TRP HB2 4.000 . 4.750 4.325 4.189 4.430 . 0 0 "[ . 1 . 2]" 1
697 1 25 PRO QD 1 33 TRP HD1 4.000 . 4.750 4.153 3.928 4.388 . 0 0 "[ . 1 . 2]" 1
698 1 25 PRO QG 1 34 LEU MD2 5.000 . 6.000 4.390 3.558 5.458 . 0 0 "[ . 1 . 2]" 1
699 1 30 LEU MD1 1 42 VAL MG1 4.000 . 4.750 3.901 2.487 4.432 . 0 0 "[ . 1 . 2]" 1
700 1 30 LEU MD1 1 42 VAL MG2 4.000 . 4.750 3.542 2.794 4.758 0.008 4 0 "[ . 1 . 2]" 1
701 1 30 LEU MD2 1 42 VAL HA 5.000 . 6.000 4.504 4.104 4.890 . 0 0 "[ . 1 . 2]" 1
702 1 33 TRP HZ3 1 40 TYR H 5.000 . 6.000 4.439 4.151 4.853 . 0 0 "[ . 1 . 2]" 1
703 1 33 TRP HZ3 1 40 TYR HB3 3.000 . 3.500 2.678 2.228 3.198 . 0 0 "[ . 1 . 2]" 1
704 1 33 TRP HZ3 1 40 TYR HB2 4.000 . 4.750 2.356 2.088 2.749 . 0 0 "[ . 1 . 2]" 1
705 1 33 TRP HZ3 1 40 TYR QD 3.000 . 3.500 2.871 2.738 2.947 . 0 0 "[ . 1 . 2]" 1
706 1 33 TRP HH2 1 40 TYR QD 4.000 . 4.750 3.247 3.080 3.560 . 0 0 "[ . 1 . 2]" 1
707 1 33 TRP HH2 1 40 TYR QE 4.000 . 4.750 2.861 2.683 2.926 . 0 0 "[ . 1 . 2]" 1
708 1 34 LEU MD1 1 40 TYR QD 5.000 . 6.000 5.831 5.462 6.004 0.004 4 0 "[ . 1 . 2]" 1
709 1 34 LEU MD2 1 40 TYR H 5.000 . 6.000 3.359 2.919 3.797 . 0 0 "[ . 1 . 2]" 1
710 1 34 LEU MD2 1 40 TYR HB3 4.000 . 4.750 2.492 2.172 3.016 . 0 0 "[ . 1 . 2]" 1
711 1 34 LEU MD2 1 40 TYR HB2 4.000 . 4.750 2.308 2.005 2.625 . 0 0 "[ . 1 . 2]" 1
712 1 34 LEU MD2 1 40 TYR QD 4.000 . 4.750 3.822 3.500 4.247 . 0 0 "[ . 1 . 2]" 1
713 1 34 LEU MD1 1 41 GLU HA 5.000 . 6.000 3.801 3.384 4.313 . 0 0 "[ . 1 . 2]" 1
714 1 34 LEU MD2 1 41 GLU H 5.000 . 6.000 3.883 3.609 4.339 . 0 0 "[ . 1 . 2]" 1
715 1 34 LEU MD2 1 41 GLU HA 5.000 . 6.000 3.128 2.675 3.477 . 0 0 "[ . 1 . 2]" 1
716 1 34 LEU MD1 1 42 VAL H 5.000 . 6.000 4.052 3.646 4.621 . 0 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 24
_Distance_constraint_stats_list.Viol_count 254
_Distance_constraint_stats_list.Viol_total 79.756
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0143
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0157
_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 10 VAL 0.100 0.015 3 0 "[ . 1 . 2]"
1 11 ILE 0.200 0.024 18 0 "[ . 1 . 2]"
1 12 HIS 0.266 0.026 15 0 "[ . 1 . 2]"
1 13 VAL 0.036 0.008 19 0 "[ . 1 . 2]"
1 16 GLY 0.134 0.026 15 0 "[ . 1 . 2]"
1 17 LYS 0.132 0.020 6 0 "[ . 1 . 2]"
1 19 LEU 0.100 0.015 3 0 "[ . 1 . 2]"
1 20 THR 1.363 0.072 1 0 "[ . 1 . 2]"
1 24 ALA 1.363 0.072 1 0 "[ . 1 . 2]"
1 26 LYS 1.042 0.072 6 0 "[ . 1 . 2]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 1.287 0.072 6 0 "[ . 1 . 2]"
1 31 GLU 0.286 0.021 11 0 "[ . 1 . 2]"
1 32 ALA 0.326 0.024 19 0 "[ . 1 . 2]"
1 33 TRP 0.126 0.017 6 0 "[ . 1 . 2]"
1 34 LEU 0.244 0.019 14 0 "[ . 1 . 2]"
1 35 GLU 0.286 0.021 11 0 "[ . 1 . 2]"
1 36 MET 0.326 0.024 19 0 "[ . 1 . 2]"
1 37 ASN 0.126 0.017 6 0 "[ . 1 . 2]"
1 39 GLY 0.036 0.008 19 0 "[ . 1 . 2]"
1 41 GLU 0.200 0.024 18 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 11 ILE H 1 41 GLU O 1.950 . 2.100 1.817 1.786 1.985 0.014 14 0 "[ . 1 . 2]" 2
2 1 11 ILE N 1 41 GLU O 2.900 2.700 3.100 2.705 2.676 2.791 0.024 18 0 "[ . 1 . 2]" 2
3 1 12 HIS H 1 17 LYS O 1.950 . 2.100 1.807 1.780 1.916 0.020 6 0 "[ . 1 . 2]" 2
4 1 12 HIS N 1 17 LYS O 2.900 2.700 3.100 2.754 2.702 2.813 . 0 0 "[ . 1 . 2]" 2
5 1 13 VAL H 1 39 GLY O 1.950 . 2.100 1.909 1.792 2.104 0.008 19 0 "[ . 1 . 2]" 2
6 1 13 VAL N 1 39 GLY O 2.900 2.700 3.100 2.828 2.697 2.974 0.003 15 0 "[ . 1 . 2]" 2
7 1 12 HIS O 1 16 GLY H 1.950 . 2.100 2.082 2.029 2.105 0.005 3 0 "[ . 1 . 2]" 2
8 1 12 HIS O 1 16 GLY N 2.900 2.700 3.100 2.696 2.674 2.731 0.026 15 0 "[ . 1 . 2]" 2
9 1 10 VAL O 1 19 LEU H 1.950 . 2.100 1.986 1.788 2.115 0.015 3 0 "[ . 1 . 2]" 2
10 1 10 VAL O 1 19 LEU N 2.900 2.700 3.100 2.809 2.686 3.014 0.014 14 0 "[ . 1 . 2]" 2
11 1 20 THR O 1 24 ALA H 1.950 . 2.100 1.747 1.728 1.773 0.072 1 0 "[ . 1 . 2]" 2
12 1 20 THR O 1 24 ALA N 2.900 2.700 3.100 2.685 2.675 2.698 0.025 17 0 "[ . 1 . 2]" 2
13 1 26 LYS O 1 30 LEU H 1.950 . 2.100 2.115 2.097 2.135 0.035 4 0 "[ . 1 . 2]" 2
14 1 26 LYS O 1 30 LEU N 2.900 2.700 3.100 2.663 2.628 2.691 0.072 6 0 "[ . 1 . 2]" 2
15 1 29 GLN O 1 33 TRP H 1.950 . 2.100 1.936 1.829 2.073 . 0 0 "[ . 1 . 2]" 2
16 1 29 GLN O 1 33 TRP N 2.900 2.700 3.100 2.822 2.713 2.963 . 0 0 "[ . 1 . 2]" 2
17 1 30 LEU O 1 34 LEU H 1.950 . 2.100 1.789 1.781 1.796 0.019 14 0 "[ . 1 . 2]" 2
18 1 30 LEU O 1 34 LEU N 2.900 2.700 3.100 2.731 2.691 2.769 0.009 19 0 "[ . 1 . 2]" 2
19 1 31 GLU O 1 35 GLU H 1.950 . 2.100 2.114 2.106 2.121 0.021 11 0 "[ . 1 . 2]" 2
20 1 31 GLU O 1 35 GLU N 2.900 2.700 3.100 3.045 3.013 3.075 . 0 0 "[ . 1 . 2]" 2
21 1 32 ALA O 1 36 MET H 1.950 . 2.100 2.116 2.111 2.124 0.024 19 0 "[ . 1 . 2]" 2
22 1 32 ALA O 1 36 MET N 2.900 2.700 3.100 3.009 2.966 3.043 . 0 0 "[ . 1 . 2]" 2
23 1 33 TRP O 1 37 ASN H 1.950 . 2.100 1.895 1.797 2.044 0.003 1 0 "[ . 1 . 2]" 2
24 1 33 TRP O 1 37 ASN N 2.900 2.700 3.100 2.694 2.683 2.701 0.017 6 0 "[ . 1 . 2]" 2
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