NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
422802 |
2ewl   |
6916 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ewl
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 1113
_Distance_constraint_stats_list.Viol_count 1096
_Distance_constraint_stats_list.Viol_total 954.356
_Distance_constraint_stats_list.Viol_max 0.106
_Distance_constraint_stats_list.Viol_rms 0.0156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0581
_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 4 MET 0.026 0.026 2 0 "[ . 1 .]"
1 5 ALA 1.396 0.093 5 0 "[ . 1 .]"
1 6 GLU 1.606 0.087 12 0 "[ . 1 .]"
1 7 PRO 1.421 0.083 13 0 "[ . 1 .]"
1 8 GLN 1.588 0.101 6 0 "[ . 1 .]"
1 9 ARG 4.863 0.105 7 0 "[ . 1 .]"
1 10 HIS 3.806 0.096 7 0 "[ . 1 .]"
1 11 LYS 2.079 0.093 12 0 "[ . 1 .]"
1 12 ILE 1.699 0.089 13 0 "[ . 1 .]"
1 13 LEU 4.696 0.088 12 0 "[ . 1 .]"
1 14 CYS 2.288 0.098 12 0 "[ . 1 .]"
1 15 VAL 0.384 0.064 12 0 "[ . 1 .]"
1 16 CYS 0.896 0.073 3 0 "[ . 1 .]"
1 17 CYS 1.622 0.088 1 0 "[ . 1 .]"
1 18 LYS 2.667 0.088 6 0 "[ . 1 .]"
1 19 CYS 4.181 0.098 6 0 "[ . 1 .]"
1 20 ASP 1.706 0.098 6 0 "[ . 1 .]"
1 21 GLY 2.397 0.095 1 0 "[ . 1 .]"
1 22 ARG 3.355 0.106 1 0 "[ . 1 .]"
1 23 ILE 1.815 0.099 14 0 "[ . 1 .]"
1 24 GLU 0.767 0.099 14 0 "[ . 1 .]"
1 25 LEU 3.451 0.098 12 0 "[ . 1 .]"
1 26 THR 0.315 0.090 11 0 "[ . 1 .]"
1 27 VAL 0.809 0.076 3 0 "[ . 1 .]"
1 28 GLU 3.467 0.096 7 0 "[ . 1 .]"
1 29 SER 1.759 0.098 12 0 "[ . 1 .]"
1 30 SER 1.713 0.083 13 0 "[ . 1 .]"
1 31 ALA 0.899 0.073 12 0 "[ . 1 .]"
1 32 GLU 1.133 0.069 10 0 "[ . 1 .]"
1 33 ASP 1.470 0.081 13 0 "[ . 1 .]"
1 34 LEU 3.090 0.087 8 0 "[ . 1 .]"
1 35 ARG 3.176 0.092 12 0 "[ . 1 .]"
1 36 THR 3.556 0.090 10 0 "[ . 1 .]"
1 37 LEU 1.929 0.086 15 0 "[ . 1 .]"
1 38 GLN 3.460 0.087 8 0 "[ . 1 .]"
1 39 GLN 6.650 0.101 8 0 "[ . 1 .]"
1 40 LEU 1.522 0.101 8 0 "[ . 1 .]"
1 41 PHE 0.925 0.082 7 0 "[ . 1 .]"
1 42 LEU 1.401 0.096 7 0 "[ . 1 .]"
1 43 SER 2.154 0.096 7 0 "[ . 1 .]"
1 44 THR 2.527 0.096 10 0 "[ . 1 .]"
1 45 LEU 0.533 0.076 8 0 "[ . 1 .]"
1 46 SER 1.118 0.073 14 0 "[ . 1 .]"
1 47 PHE 2.333 0.082 1 0 "[ . 1 .]"
1 48 VAL 1.904 0.091 1 0 "[ . 1 .]"
1 49 CYS 0.661 0.073 4 0 "[ . 1 .]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 51 TRP 2.584 0.080 15 0 "[ . 1 .]"
1 52 CYS 1.932 0.073 10 0 "[ . 1 .]"
1 53 ALA 1.290 0.073 10 0 "[ . 1 .]"
1 54 THR 0.223 0.080 15 0 "[ . 1 .]"
1 55 ASN 1.712 0.091 6 0 "[ . 1 .]"
1 56 GLN 1.655 0.091 6 0 "[ . 1 .]"
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 4 MET HA 1 5 ALA H . . 2.800 2.371 2.155 2.826 0.026 2 0 "[ . 1 .]" 1
2 1 4 MET HA 1 5 ALA MB . . 6.720 4.191 3.723 4.590 . 0 0 "[ . 1 .]" 1
3 1 4 MET HB2 1 5 ALA H . . 5.400 3.939 2.456 4.653 . 0 0 "[ . 1 .]" 1
4 1 4 MET HB3 1 5 ALA H . . 5.400 3.978 3.077 4.437 . 0 0 "[ . 1 .]" 1
5 1 5 ALA HA 1 6 GLU H . . 2.800 2.552 2.226 2.887 0.087 12 0 "[ . 1 .]" 1
6 1 5 ALA H 1 5 ALA HA . . 2.800 2.702 2.232 2.893 0.093 5 0 "[ . 1 .]" 1
7 1 5 ALA H 1 6 GLU HA . . 5.400 4.590 4.002 5.422 0.022 15 0 "[ . 1 .]" 1
8 1 5 ALA H 1 6 GLU H . . 4.300 3.084 1.765 4.379 0.079 9 0 "[ . 1 .]" 1
9 1 5 ALA MB 1 6 GLU HG2 . . 6.720 5.347 4.151 5.704 . 0 0 "[ . 1 .]" 1
10 1 5 ALA MB 1 6 GLU HG3 . . 6.720 4.571 3.937 5.608 . 0 0 "[ . 1 .]" 1
11 1 5 ALA MB 1 6 GLU H . . 4.920 3.433 2.383 3.741 . 0 0 "[ . 1 .]" 1
12 1 6 GLU HA 1 7 PRO HG2 . . 5.400 4.644 4.579 4.773 . 0 0 "[ . 1 .]" 1
13 1 6 GLU HA 1 7 PRO HG3 . . 5.400 4.648 4.462 4.796 . 0 0 "[ . 1 .]" 1
14 1 6 GLU HG2 1 7 PRO HD2 . . 5.400 3.942 3.292 4.656 . 0 0 "[ . 1 .]" 1
15 1 6 GLU HG2 1 7 PRO HD3 . . 5.400 4.971 4.162 5.460 0.060 1 0 "[ . 1 .]" 1
16 1 6 GLU HG3 1 7 PRO HD2 . . 5.400 4.268 3.363 5.088 . 0 0 "[ . 1 .]" 1
17 1 6 GLU HG3 1 7 PRO HD3 . . 5.400 5.025 4.259 5.472 0.072 8 0 "[ . 1 .]" 1
18 1 6 GLU H 1 6 GLU HG2 . . 5.400 3.868 2.638 4.598 . 0 0 "[ . 1 .]" 1
19 1 6 GLU H 1 6 GLU HG3 . . 5.400 3.179 1.858 4.439 . 0 0 "[ . 1 .]" 1
20 1 6 GLU H 1 7 PRO HD2 . . 5.400 4.896 4.723 5.042 . 0 0 "[ . 1 .]" 1
21 1 6 GLU H 1 7 PRO HD3 . . 5.400 5.043 4.823 5.386 . 0 0 "[ . 1 .]" 1
22 1 6 GLU H 1 9 ARG HB2 . . 5.400 5.047 4.038 5.478 0.078 13 0 "[ . 1 .]" 1
23 1 6 GLU H 1 9 ARG HB3 . . 5.400 4.391 3.717 5.469 0.069 14 0 "[ . 1 .]" 1
24 1 6 GLU H 1 9 ARG H . . 5.700 5.091 4.353 5.760 0.060 1 0 "[ . 1 .]" 1
25 1 7 PRO HA 1 8 GLN H . . 2.800 2.467 2.152 2.749 . 0 0 "[ . 1 .]" 1
26 1 7 PRO HA 1 30 SER HA . . 5.400 5.455 5.285 5.483 0.083 13 0 "[ . 1 .]" 1
27 1 8 GLN HA 1 8 GLN HG2 . . 3.600 3.358 2.286 3.665 0.065 5 0 "[ . 1 .]" 1
28 1 8 GLN HA 1 8 GLN HG3 . . 3.600 2.825 2.293 3.682 0.082 4 0 "[ . 1 .]" 1
29 1 8 GLN HA 1 10 HIS H . . 5.400 5.116 4.769 5.447 0.047 15 0 "[ . 1 .]" 1
30 1 8 GLN HA 1 29 SER H . . 5.400 3.215 2.237 4.928 . 0 0 "[ . 1 .]" 1
31 1 8 GLN HB2 1 9 ARG H . . 5.400 3.301 2.030 4.563 . 0 0 "[ . 1 .]" 1
32 1 8 GLN HB3 1 9 ARG H . . 5.400 3.125 1.939 4.599 . 0 0 "[ . 1 .]" 1
33 1 8 GLN HE21 1 10 HIS HE1 . . 5.400 4.235 2.852 5.477 0.077 13 0 "[ . 1 .]" 1
34 1 8 GLN HE22 1 10 HIS HE1 . . 5.400 4.913 3.452 5.463 0.063 7 0 "[ . 1 .]" 1
35 1 8 GLN HG2 1 9 ARG H . . 5.400 4.616 4.142 5.127 . 0 0 "[ . 1 .]" 1
36 1 8 GLN HG3 1 9 ARG H . . 5.400 4.575 3.655 5.501 0.101 6 0 "[ . 1 .]" 1
37 1 8 GLN H 1 8 GLN HG2 . . 5.400 4.265 2.821 5.248 . 0 0 "[ . 1 .]" 1
38 1 8 GLN H 1 8 GLN HG3 . . 5.400 4.179 2.741 4.762 . 0 0 "[ . 1 .]" 1
39 1 8 GLN H 1 9 ARG H . . 4.300 3.307 2.573 4.099 . 0 0 "[ . 1 .]" 1
40 1 8 GLN H 1 10 HIS HD2 . . 5.400 4.778 3.499 5.485 0.085 11 0 "[ . 1 .]" 1
41 1 8 GLN H 1 28 GLU HA . . 5.400 5.331 5.040 5.481 0.081 7 0 "[ . 1 .]" 1
42 1 8 GLN H 1 29 SER H . . 5.700 4.846 4.033 5.565 . 0 0 "[ . 1 .]" 1
43 1 9 ARG HA 1 9 ARG HD2 . . 5.400 3.701 2.256 4.547 . 0 0 "[ . 1 .]" 1
44 1 9 ARG HA 1 9 ARG HD3 . . 5.400 4.153 2.124 4.781 . 0 0 "[ . 1 .]" 1
45 1 9 ARG HA 1 9 ARG HG2 . . 3.600 2.851 2.137 3.679 0.079 8 0 "[ . 1 .]" 1
46 1 9 ARG HA 1 9 ARG HG3 . . 3.600 2.840 2.321 3.654 0.054 14 0 "[ . 1 .]" 1
47 1 9 ARG HA 1 10 HIS H . . 2.800 2.107 1.941 2.235 . 0 0 "[ . 1 .]" 1
48 1 9 ARG HA 1 26 THR MG . . 6.720 4.542 4.216 5.347 . 0 0 "[ . 1 .]" 1
49 1 9 ARG HA 1 27 VAL H . . 5.400 4.690 4.127 5.167 . 0 0 "[ . 1 .]" 1
50 1 9 ARG HA 1 28 GLU HA . . 3.600 2.267 1.970 2.638 . 0 0 "[ . 1 .]" 1
51 1 9 ARG HA 1 28 GLU HG2 . . 5.400 2.791 2.055 3.756 . 0 0 "[ . 1 .]" 1
52 1 9 ARG HA 1 28 GLU HG3 . . 5.400 2.465 2.045 3.313 . 0 0 "[ . 1 .]" 1
53 1 9 ARG HA 1 28 GLU H . . 5.400 4.512 3.898 4.848 . 0 0 "[ . 1 .]" 1
54 1 9 ARG HA 1 29 SER H . . 5.400 4.024 3.746 4.312 . 0 0 "[ . 1 .]" 1
55 1 9 ARG HB2 1 9 ARG HG2 . . 2.800 2.773 2.464 2.904 0.104 7 0 "[ . 1 .]" 1
56 1 9 ARG HB2 1 9 ARG HG3 . . 2.800 2.448 2.120 2.902 0.102 8 0 "[ . 1 .]" 1
57 1 9 ARG HB2 1 10 HIS H . . 5.400 4.478 4.237 4.605 . 0 0 "[ . 1 .]" 1
58 1 9 ARG HB2 1 26 THR MG . . 6.720 5.438 5.032 5.639 . 0 0 "[ . 1 .]" 1
59 1 9 ARG HB3 1 9 ARG HG2 . . 2.800 2.585 2.189 2.901 0.101 9 0 "[ . 1 .]" 1
60 1 9 ARG HB3 1 9 ARG HG3 . . 2.800 2.787 2.445 2.905 0.105 7 0 "[ . 1 .]" 1
61 1 9 ARG HB3 1 10 HIS H . . 5.400 4.326 3.730 4.506 . 0 0 "[ . 1 .]" 1
62 1 9 ARG HB3 1 26 THR MG . . 6.720 5.377 4.180 5.600 . 0 0 "[ . 1 .]" 1
63 1 9 ARG HD2 1 26 THR MG . . 6.720 4.012 3.114 4.756 . 0 0 "[ . 1 .]" 1
64 1 9 ARG HD3 1 26 THR MG . . 6.720 3.781 2.777 4.950 . 0 0 "[ . 1 .]" 1
65 1 9 ARG HG2 1 10 HIS H . . 5.400 3.959 3.137 5.148 . 0 0 "[ . 1 .]" 1
66 1 9 ARG HG2 1 26 THR MG . . 6.720 3.716 3.024 5.211 . 0 0 "[ . 1 .]" 1
67 1 9 ARG HG2 1 28 GLU HG2 . . 5.400 4.164 2.279 5.467 0.067 12 0 "[ . 1 .]" 1
68 1 9 ARG HG2 1 28 GLU HG3 . . 5.400 3.805 2.319 4.917 . 0 0 "[ . 1 .]" 1
69 1 9 ARG HG3 1 10 HIS H . . 5.400 4.198 3.015 5.481 0.081 14 0 "[ . 1 .]" 1
70 1 9 ARG HG3 1 26 THR MG . . 6.720 3.766 3.090 5.030 . 0 0 "[ . 1 .]" 1
71 1 9 ARG HG3 1 28 GLU HG2 . . 5.400 3.593 2.426 4.602 . 0 0 "[ . 1 .]" 1
72 1 9 ARG HG3 1 28 GLU HG3 . . 5.400 3.357 2.256 4.492 . 0 0 "[ . 1 .]" 1
73 1 9 ARG H 1 9 ARG HB2 . . 3.600 2.328 2.106 2.677 . 0 0 "[ . 1 .]" 1
74 1 9 ARG H 1 9 ARG HB3 . . 3.600 2.742 2.453 3.626 0.026 14 0 "[ . 1 .]" 1
75 1 9 ARG H 1 9 ARG HG2 . . 5.400 4.298 2.562 4.671 . 0 0 "[ . 1 .]" 1
76 1 9 ARG H 1 9 ARG HG3 . . 5.400 4.275 3.752 4.704 . 0 0 "[ . 1 .]" 1
77 1 9 ARG H 1 10 HIS H . . 4.300 4.263 4.053 4.358 0.058 15 0 "[ . 1 .]" 1
78 1 9 ARG H 1 28 GLU HA . . 5.400 3.681 3.521 3.941 . 0 0 "[ . 1 .]" 1
79 1 9 ARG H 1 28 GLU HB2 . . 5.400 5.455 5.162 5.489 0.089 13 0 "[ . 1 .]" 1
80 1 9 ARG H 1 28 GLU HB3 . . 5.400 4.080 3.422 4.576 . 0 0 "[ . 1 .]" 1
81 1 9 ARG H 1 29 SER H . . 5.700 4.628 4.459 4.831 . 0 0 "[ . 1 .]" 1
82 1 10 HIS HA 1 11 LYS H . . 2.800 2.334 2.103 2.510 . 0 0 "[ . 1 .]" 1
83 1 10 HIS HA 1 27 VAL H . . 5.400 4.943 4.808 5.227 . 0 0 "[ . 1 .]" 1
84 1 10 HIS HB2 1 11 LYS H . . 5.400 3.932 3.502 4.431 . 0 0 "[ . 1 .]" 1
85 1 10 HIS HB2 1 12 ILE H . . 5.400 5.049 4.624 5.480 0.080 11 0 "[ . 1 .]" 1
86 1 10 HIS HB2 1 12 ILE MD . . 6.720 3.635 3.197 4.237 . 0 0 "[ . 1 .]" 1
87 1 10 HIS HB2 1 27 VAL H . . 5.400 4.024 3.626 4.661 . 0 0 "[ . 1 .]" 1
88 1 10 HIS HB2 1 34 LEU MD1 . . 6.720 2.795 2.277 3.843 . 0 0 "[ . 1 .]" 1
89 1 10 HIS HB2 1 34 LEU MD2 . . 6.720 4.988 2.525 5.647 . 0 0 "[ . 1 .]" 1
90 1 10 HIS HB3 1 11 LYS H . . 5.400 2.817 2.213 3.481 . 0 0 "[ . 1 .]" 1
91 1 10 HIS HB3 1 12 ILE H . . 5.400 4.723 3.845 5.299 . 0 0 "[ . 1 .]" 1
92 1 10 HIS HB3 1 12 ILE MD . . 6.720 3.754 3.449 4.154 . 0 0 "[ . 1 .]" 1
93 1 10 HIS HB3 1 27 VAL H . . 5.400 4.900 4.407 5.148 . 0 0 "[ . 1 .]" 1
94 1 10 HIS HB3 1 34 LEU MD1 . . 6.720 2.568 2.016 4.348 . 0 0 "[ . 1 .]" 1
95 1 10 HIS HB3 1 34 LEU MD2 . . 6.720 4.461 2.970 5.197 . 0 0 "[ . 1 .]" 1
96 1 10 HIS HD2 1 11 LYS H . . 5.400 4.695 4.266 5.473 0.073 7 0 "[ . 1 .]" 1
97 1 10 HIS HD2 1 29 SER H . . 5.400 5.137 4.129 5.487 0.087 8 0 "[ . 1 .]" 1
98 1 10 HIS H 1 10 HIS HD2 . . 5.400 3.993 3.210 5.122 . 0 0 "[ . 1 .]" 1
99 1 10 HIS H 1 11 LYS HA . . 5.400 4.917 4.710 5.149 . 0 0 "[ . 1 .]" 1
100 1 10 HIS H 1 11 LYS H . . 5.700 4.483 4.184 4.602 . 0 0 "[ . 1 .]" 1
101 1 10 HIS H 1 26 THR HA . . 5.400 4.565 3.735 4.958 . 0 0 "[ . 1 .]" 1
102 1 10 HIS H 1 26 THR MG . . 6.720 4.426 3.926 5.583 . 0 0 "[ . 1 .]" 1
103 1 10 HIS H 1 27 VAL HA . . 5.400 4.795 4.689 4.909 . 0 0 "[ . 1 .]" 1
104 1 10 HIS H 1 27 VAL H . . 4.300 3.300 3.127 3.708 . 0 0 "[ . 1 .]" 1
105 1 10 HIS H 1 28 GLU HA . . 3.600 2.821 2.664 3.103 . 0 0 "[ . 1 .]" 1
106 1 10 HIS H 1 28 GLU HB2 . . 5.400 5.472 5.360 5.496 0.096 7 0 "[ . 1 .]" 1
107 1 10 HIS H 1 28 GLU HB3 . . 5.400 5.159 4.531 5.468 0.068 4 0 "[ . 1 .]" 1
108 1 10 HIS H 1 28 GLU HG2 . . 5.400 4.641 3.734 5.492 0.092 13 0 "[ . 1 .]" 1
109 1 10 HIS H 1 28 GLU HG3 . . 5.400 3.957 3.483 4.370 . 0 0 "[ . 1 .]" 1
110 1 10 HIS H 1 28 GLU H . . 5.700 4.600 4.420 4.779 . 0 0 "[ . 1 .]" 1
111 1 10 HIS H 1 29 SER H . . 4.300 3.671 3.365 4.145 . 0 0 "[ . 1 .]" 1
112 1 11 LYS HA 1 11 LYS HD2 . . 5.400 4.314 3.535 4.789 . 0 0 "[ . 1 .]" 1
113 1 11 LYS HA 1 11 LYS HD3 . . 5.400 4.184 2.898 4.989 . 0 0 "[ . 1 .]" 1
114 1 11 LYS HA 1 11 LYS HG2 . . 3.600 2.995 2.416 3.652 0.052 4 0 "[ . 1 .]" 1
115 1 11 LYS HA 1 11 LYS HG3 . . 3.600 2.756 2.279 3.583 . 0 0 "[ . 1 .]" 1
116 1 11 LYS HA 1 12 ILE HA . . 5.400 4.461 4.426 4.495 . 0 0 "[ . 1 .]" 1
117 1 11 LYS HA 1 12 ILE HB . . 5.400 4.725 4.576 5.009 . 0 0 "[ . 1 .]" 1
118 1 11 LYS HA 1 12 ILE HG12 . . 5.400 5.221 3.786 5.469 0.069 2 0 "[ . 1 .]" 1
119 1 11 LYS HA 1 12 ILE HG13 . . 5.400 4.048 3.711 5.449 0.049 3 0 "[ . 1 .]" 1
120 1 11 LYS HA 1 12 ILE MD . . 6.720 5.056 4.601 5.475 . 0 0 "[ . 1 .]" 1
121 1 11 LYS HA 1 13 LEU H . . 5.400 5.265 4.936 5.463 0.063 11 0 "[ . 1 .]" 1
122 1 11 LYS HA 1 25 LEU H . . 5.400 4.629 4.406 4.916 . 0 0 "[ . 1 .]" 1
123 1 11 LYS HA 1 26 THR HA . . 5.400 2.206 2.045 2.397 . 0 0 "[ . 1 .]" 1
124 1 11 LYS HA 1 26 THR H . . 5.400 4.191 3.975 4.505 . 0 0 "[ . 1 .]" 1
125 1 11 LYS HA 1 26 THR MG . . 6.720 3.915 3.612 4.420 . 0 0 "[ . 1 .]" 1
126 1 11 LYS HA 1 27 VAL H . . 3.600 3.263 3.042 3.667 0.067 4 0 "[ . 1 .]" 1
127 1 11 LYS HB2 1 12 ILE H . . 5.400 4.472 4.197 4.582 . 0 0 "[ . 1 .]" 1
128 1 11 LYS HB2 1 13 LEU H . . 5.400 5.314 4.936 5.461 0.061 13 0 "[ . 1 .]" 1
129 1 11 LYS HB3 1 12 ILE H . . 5.400 3.826 3.312 4.095 . 0 0 "[ . 1 .]" 1
130 1 11 LYS HB3 1 13 LEU H . . 5.400 4.848 4.313 5.249 . 0 0 "[ . 1 .]" 1
131 1 11 LYS HD2 1 26 THR HA . . 5.400 4.391 4.065 4.757 . 0 0 "[ . 1 .]" 1
132 1 11 LYS HD2 1 26 THR MG . . 6.720 3.185 2.503 3.600 . 0 0 "[ . 1 .]" 1
133 1 11 LYS HD3 1 26 THR HA . . 5.400 4.660 3.264 5.301 . 0 0 "[ . 1 .]" 1
134 1 11 LYS HD3 1 26 THR MG . . 6.720 3.738 2.932 4.622 . 0 0 "[ . 1 .]" 1
135 1 11 LYS HE2 1 26 THR MG . . 6.720 4.967 4.098 5.631 . 0 0 "[ . 1 .]" 1
136 1 11 LYS HE3 1 26 THR MG . . 6.720 5.180 4.538 5.604 . 0 0 "[ . 1 .]" 1
137 1 11 LYS HG2 1 12 ILE H . . 5.400 5.016 4.471 5.489 0.089 13 0 "[ . 1 .]" 1
138 1 11 LYS HG2 1 26 THR MG . . 6.720 3.068 2.216 4.750 . 0 0 "[ . 1 .]" 1
139 1 11 LYS HG3 1 12 ILE H . . 5.400 4.825 4.325 5.466 0.066 5 0 "[ . 1 .]" 1
140 1 11 LYS HG3 1 26 THR MG . . 6.720 3.007 2.291 4.931 . 0 0 "[ . 1 .]" 1
141 1 11 LYS H 1 11 LYS HD2 . . 5.400 4.780 3.788 5.407 0.007 3 0 "[ . 1 .]" 1
142 1 11 LYS H 1 11 LYS HD3 . . 5.400 3.872 2.559 5.460 0.060 11 0 "[ . 1 .]" 1
143 1 11 LYS H 1 11 LYS HE2 . . 5.400 5.000 2.175 5.493 0.093 12 0 "[ . 1 .]" 1
144 1 11 LYS H 1 11 LYS HE3 . . 5.400 4.725 3.874 5.319 . 0 0 "[ . 1 .]" 1
145 1 11 LYS H 1 11 LYS HG2 . . 5.400 4.150 3.204 4.829 . 0 0 "[ . 1 .]" 1
146 1 11 LYS H 1 11 LYS HG3 . . 5.400 3.374 2.626 4.134 . 0 0 "[ . 1 .]" 1
147 1 11 LYS H 1 12 ILE HA . . 5.400 4.705 4.327 5.241 . 0 0 "[ . 1 .]" 1
148 1 11 LYS H 1 12 ILE H . . 4.300 4.002 3.659 4.272 . 0 0 "[ . 1 .]" 1
149 1 11 LYS H 1 12 ILE MD . . 6.720 5.217 4.038 5.648 . 0 0 "[ . 1 .]" 1
150 1 11 LYS H 1 26 THR HA . . 5.400 4.641 4.245 4.810 . 0 0 "[ . 1 .]" 1
151 1 12 ILE HA 1 13 LEU HA . . 5.400 4.477 4.402 4.507 . 0 0 "[ . 1 .]" 1
152 1 12 ILE HB 1 13 LEU H . . 5.400 4.435 4.263 4.528 . 0 0 "[ . 1 .]" 1
153 1 12 ILE HB 1 14 CYS H . . 5.400 5.039 4.417 5.467 0.067 1 0 "[ . 1 .]" 1
154 1 12 ILE HB 1 25 LEU HB2 . . 5.400 2.169 1.987 2.703 . 0 0 "[ . 1 .]" 1
155 1 12 ILE HB 1 25 LEU HB3 . . 5.400 3.711 3.550 4.236 . 0 0 "[ . 1 .]" 1
156 1 12 ILE HB 1 25 LEU HG . . 5.400 3.765 3.022 4.152 . 0 0 "[ . 1 .]" 1
157 1 12 ILE HB 1 25 LEU H . . 5.400 3.859 3.344 4.198 . 0 0 "[ . 1 .]" 1
158 1 12 ILE HB 1 25 LEU MD1 . . 6.720 2.610 2.325 3.048 . 0 0 "[ . 1 .]" 1
159 1 12 ILE HB 1 25 LEU MD2 . . 6.720 4.727 4.329 5.034 . 0 0 "[ . 1 .]" 1
160 1 12 ILE HB 1 27 VAL H . . 5.400 5.352 4.577 5.476 0.076 3 0 "[ . 1 .]" 1
161 1 12 ILE H 1 12 ILE HB . . 3.600 2.606 2.486 2.808 . 0 0 "[ . 1 .]" 1
162 1 12 ILE H 1 13 LEU HA . . 5.400 4.922 4.643 5.109 . 0 0 "[ . 1 .]" 1
163 1 12 ILE H 1 13 LEU H . . 4.300 4.121 3.966 4.240 . 0 0 "[ . 1 .]" 1
164 1 12 ILE H 1 25 LEU HB2 . . 5.400 2.829 2.662 3.079 . 0 0 "[ . 1 .]" 1
165 1 12 ILE H 1 25 LEU HB3 . . 5.400 4.204 4.086 4.378 . 0 0 "[ . 1 .]" 1
166 1 12 ILE H 1 25 LEU H . . 5.700 3.450 3.162 3.798 . 0 0 "[ . 1 .]" 1
167 1 12 ILE H 1 26 THR HA . . 5.400 3.566 2.923 3.751 . 0 0 "[ . 1 .]" 1
168 1 12 ILE H 1 27 VAL H . . 4.300 3.825 3.442 4.250 . 0 0 "[ . 1 .]" 1
169 1 12 ILE MD 1 13 LEU H . . 6.720 5.470 4.191 5.684 . 0 0 "[ . 1 .]" 1
170 1 12 ILE MD 1 25 LEU HB2 . . 6.720 3.577 2.784 4.508 . 0 0 "[ . 1 .]" 1
171 1 12 ILE MD 1 25 LEU HB3 . . 6.720 4.347 3.646 5.708 . 0 0 "[ . 1 .]" 1
172 1 12 ILE MD 1 25 LEU HG . . 6.720 5.253 4.491 5.688 . 0 0 "[ . 1 .]" 1
173 1 12 ILE MD 1 25 LEU MD1 . . 8.740 3.424 2.696 4.361 . 0 0 "[ . 1 .]" 1
174 1 12 ILE MD 1 25 LEU MD2 . . 8.740 5.322 4.667 6.183 . 0 0 "[ . 1 .]" 1
175 1 12 ILE MD 1 27 VAL HB . . 8.920 4.739 4.078 5.530 . 0 0 "[ . 1 .]" 1
176 1 12 ILE MD 1 27 VAL H . . 6.720 4.693 4.015 5.206 . 0 0 "[ . 1 .]" 1
177 1 12 ILE MD 1 34 LEU HG . . 6.720 2.601 2.144 4.504 . 0 0 "[ . 1 .]" 1
178 1 12 ILE MD 1 34 LEU MD1 . . 8.740 2.158 1.969 2.260 . 0 0 "[ . 1 .]" 1
179 1 12 ILE MD 1 34 LEU MD2 . . 8.740 3.618 2.985 4.401 . 0 0 "[ . 1 .]" 1
180 1 12 ILE MD 1 37 LEU HG . . 6.720 3.212 2.531 3.873 . 0 0 "[ . 1 .]" 1
181 1 12 ILE MD 1 37 LEU MD1 . . 8.740 2.059 1.874 2.260 . 0 0 "[ . 1 .]" 1
182 1 12 ILE MD 1 37 LEU MD2 . . 8.740 2.707 2.106 4.080 . 0 0 "[ . 1 .]" 1
183 1 12 ILE MD 1 38 GLN HA . . 6.720 4.299 3.057 5.493 . 0 0 "[ . 1 .]" 1
184 1 12 ILE MD 1 41 PHE QD . . 8.850 4.938 3.796 5.712 . 0 0 "[ . 1 .]" 1
185 1 12 ILE MD 1 41 PHE QE . . 8.850 5.038 3.628 6.325 . 0 0 "[ . 1 .]" 1
186 1 12 ILE MG 1 13 LEU H . . 6.720 3.307 3.199 3.394 . 0 0 "[ . 1 .]" 1
187 1 12 ILE MG 1 13 LEU MD1 . . 8.740 5.806 4.894 6.020 . 0 0 "[ . 1 .]" 1
188 1 12 ILE MG 1 13 LEU MD2 . . 8.740 5.378 4.936 6.033 . 0 0 "[ . 1 .]" 1
189 1 12 ILE MG 1 14 CYS HB2 . . 6.720 3.649 2.832 4.973 . 0 0 "[ . 1 .]" 1
190 1 12 ILE MG 1 14 CYS HB3 . . 6.720 4.467 2.951 4.988 . 0 0 "[ . 1 .]" 1
191 1 12 ILE MG 1 14 CYS H . . 6.720 3.977 3.576 4.486 . 0 0 "[ . 1 .]" 1
192 1 12 ILE MG 1 25 LEU HB2 . . 6.720 3.604 3.281 4.092 . 0 0 "[ . 1 .]" 1
193 1 12 ILE MG 1 25 LEU HB3 . . 6.720 4.852 4.580 5.382 . 0 0 "[ . 1 .]" 1
194 1 12 ILE MG 1 25 LEU H . . 6.720 4.316 4.035 4.538 . 0 0 "[ . 1 .]" 1
195 1 12 ILE MG 1 27 VAL MG1 . . 8.740 5.204 4.632 5.705 . 0 0 "[ . 1 .]" 1
196 1 12 ILE MG 1 27 VAL MG2 . . 8.740 4.480 4.005 4.772 . 0 0 "[ . 1 .]" 1
197 1 12 ILE MG 1 34 LEU MD1 . . 8.740 4.079 3.403 4.855 . 0 0 "[ . 1 .]" 1
198 1 12 ILE MG 1 34 LEU MD2 . . 8.740 4.769 4.117 5.408 . 0 0 "[ . 1 .]" 1
199 1 12 ILE MG 1 41 PHE QD . . 8.850 4.158 3.197 5.049 . 0 0 "[ . 1 .]" 1
200 1 12 ILE MG 1 41 PHE QE . . 8.850 4.801 3.384 6.086 . 0 0 "[ . 1 .]" 1
201 1 12 ILE MG 1 41 PHE HZ . . 8.920 6.144 4.443 7.362 . 0 0 "[ . 1 .]" 1
202 1 13 LEU HA 1 14 CYS H . . 2.800 2.144 1.940 2.253 . 0 0 "[ . 1 .]" 1
203 1 13 LEU HA 1 23 ILE H . . 5.400 4.391 3.911 4.806 . 0 0 "[ . 1 .]" 1
204 1 13 LEU HA 1 24 GLU HG2 . . 5.400 4.834 3.258 5.471 0.071 14 0 "[ . 1 .]" 1
205 1 13 LEU HA 1 24 GLU HG3 . . 5.400 3.888 3.066 5.477 0.077 14 0 "[ . 1 .]" 1
206 1 13 LEU HA 1 24 GLU H . . 5.400 4.473 4.153 4.756 . 0 0 "[ . 1 .]" 1
207 1 13 LEU HA 1 25 LEU H . . 3.600 2.848 2.189 3.228 . 0 0 "[ . 1 .]" 1
208 1 13 LEU HG 1 14 CYS H . . 5.400 3.793 3.149 5.463 0.063 3 0 "[ . 1 .]" 1
209 1 13 LEU HG 1 22 ARG HD2 . . 5.400 4.818 3.650 5.478 0.078 7 0 "[ . 1 .]" 1
210 1 13 LEU HG 1 22 ARG HD3 . . 5.400 3.812 2.993 5.014 . 0 0 "[ . 1 .]" 1
211 1 13 LEU H 1 13 LEU HA . . 2.800 2.861 2.840 2.874 0.074 3 0 "[ . 1 .]" 1
212 1 13 LEU H 1 13 LEU HB2 . . 3.600 2.502 2.239 3.682 0.082 1 0 "[ . 1 .]" 1
213 1 13 LEU H 1 13 LEU HB3 . . 3.600 2.640 2.527 2.926 . 0 0 "[ . 1 .]" 1
214 1 13 LEU H 1 13 LEU HG . . 5.400 4.335 2.692 4.739 . 0 0 "[ . 1 .]" 1
215 1 13 LEU H 1 14 CYS HA . . 5.400 5.444 5.387 5.471 0.071 6 0 "[ . 1 .]" 1
216 1 13 LEU H 1 14 CYS H . . 4.300 4.269 4.050 4.372 0.072 1 0 "[ . 1 .]" 1
217 1 13 LEU H 1 24 GLU HA . . 5.400 4.223 3.889 4.511 . 0 0 "[ . 1 .]" 1
218 1 13 LEU H 1 25 LEU HG . . 5.400 5.479 5.442 5.488 0.088 12 0 "[ . 1 .]" 1
219 1 13 LEU H 1 25 LEU H . . 4.300 4.341 4.243 4.382 0.082 3 0 "[ . 1 .]" 1
220 1 13 LEU MD1 1 14 CYS H . . 6.720 4.397 2.850 4.905 . 0 0 "[ . 1 .]" 1
221 1 13 LEU MD1 1 22 ARG HB2 . . 6.720 3.781 1.949 4.827 . 0 0 "[ . 1 .]" 1
222 1 13 LEU MD1 1 22 ARG HB3 . . 6.720 4.395 3.015 5.466 . 0 0 "[ . 1 .]" 1
223 1 13 LEU MD1 1 22 ARG HD2 . . 6.720 3.635 2.017 4.255 . 0 0 "[ . 1 .]" 1
224 1 13 LEU MD1 1 22 ARG HD3 . . 6.720 3.058 2.107 3.720 . 0 0 "[ . 1 .]" 1
225 1 13 LEU MD1 1 23 ILE MG . . 8.740 5.832 4.720 6.036 . 0 0 "[ . 1 .]" 1
226 1 13 LEU MD1 1 24 GLU HA . . 6.720 3.579 2.281 4.382 . 0 0 "[ . 1 .]" 1
227 1 13 LEU MD2 1 14 CYS H . . 6.720 3.850 3.314 5.132 . 0 0 "[ . 1 .]" 1
228 1 13 LEU MD2 1 22 ARG HB2 . . 6.720 3.834 2.333 4.642 . 0 0 "[ . 1 .]" 1
229 1 13 LEU MD2 1 22 ARG HB3 . . 6.720 4.718 3.174 5.429 . 0 0 "[ . 1 .]" 1
230 1 13 LEU MD2 1 22 ARG HD2 . . 6.720 4.551 2.003 5.412 . 0 0 "[ . 1 .]" 1
231 1 13 LEU MD2 1 22 ARG HD3 . . 6.720 3.957 1.996 4.761 . 0 0 "[ . 1 .]" 1
232 1 13 LEU MD2 1 23 ILE MG . . 8.740 5.764 5.173 6.025 . 0 0 "[ . 1 .]" 1
233 1 13 LEU MD2 1 24 GLU HA . . 6.720 4.290 2.274 4.966 . 0 0 "[ . 1 .]" 1
234 1 14 CYS HA 1 15 VAL MG1 . . 6.720 3.667 3.428 3.931 . 0 0 "[ . 1 .]" 1
235 1 14 CYS HA 1 15 VAL MG2 . . 6.720 3.819 3.620 4.063 . 0 0 "[ . 1 .]" 1
236 1 14 CYS HA 1 23 ILE H . . 5.400 4.820 4.612 5.083 . 0 0 "[ . 1 .]" 1
237 1 14 CYS HB2 1 15 VAL H . . 5.400 3.504 2.151 3.917 . 0 0 "[ . 1 .]" 1
238 1 14 CYS HB2 1 23 ILE HB . . 5.400 4.170 2.242 4.919 . 0 0 "[ . 1 .]" 1
239 1 14 CYS HB2 1 23 ILE MG . . 6.720 4.579 2.186 5.590 . 0 0 "[ . 1 .]" 1
240 1 14 CYS HB3 1 15 VAL H . . 5.400 2.986 2.072 3.699 . 0 0 "[ . 1 .]" 1
241 1 14 CYS HB3 1 23 ILE HB . . 5.400 3.306 2.205 5.346 . 0 0 "[ . 1 .]" 1
242 1 14 CYS HB3 1 23 ILE MG . . 6.720 3.992 2.652 5.400 . 0 0 "[ . 1 .]" 1
243 1 14 CYS H 1 15 VAL H . . 5.700 4.452 4.207 4.583 . 0 0 "[ . 1 .]" 1
244 1 14 CYS H 1 23 ILE HB . . 5.400 3.475 2.765 4.995 . 0 0 "[ . 1 .]" 1
245 1 14 CYS H 1 23 ILE H . . 4.300 3.584 3.219 4.149 . 0 0 "[ . 1 .]" 1
246 1 14 CYS H 1 23 ILE MG . . 6.720 3.964 2.778 4.562 . 0 0 "[ . 1 .]" 1
247 1 14 CYS H 1 24 GLU HA . . 5.400 3.331 2.437 3.623 . 0 0 "[ . 1 .]" 1
248 1 14 CYS H 1 24 GLU H . . 5.700 4.795 4.288 5.041 . 0 0 "[ . 1 .]" 1
249 1 14 CYS H 1 25 LEU HA . . 5.400 5.473 5.455 5.498 0.098 12 0 "[ . 1 .]" 1
250 1 14 CYS H 1 25 LEU HG . . 5.400 2.814 2.625 3.343 . 0 0 "[ . 1 .]" 1
251 1 14 CYS H 1 25 LEU H . . 5.700 3.053 2.970 3.180 . 0 0 "[ . 1 .]" 1
252 1 15 VAL HA 1 16 CYS H . . 2.800 2.230 2.137 2.359 . 0 0 "[ . 1 .]" 1
253 1 15 VAL HA 1 23 ILE H . . 3.600 2.620 2.255 2.832 . 0 0 "[ . 1 .]" 1
254 1 15 VAL HB 1 16 CYS H . . 3.600 2.546 2.357 2.663 . 0 0 "[ . 1 .]" 1
255 1 15 VAL HB 1 20 ASP HA . . 5.400 2.433 2.276 2.565 . 0 0 "[ . 1 .]" 1
256 1 15 VAL HB 1 21 GLY H . . 5.400 3.845 3.532 4.145 . 0 0 "[ . 1 .]" 1
257 1 15 VAL HB 1 22 ARG HA . . 5.400 4.166 3.653 4.498 . 0 0 "[ . 1 .]" 1
258 1 15 VAL HB 1 22 ARG H . . 5.400 5.362 5.079 5.464 0.064 12 0 "[ . 1 .]" 1
259 1 15 VAL H 1 16 CYS H . . 5.700 4.355 4.316 4.396 . 0 0 "[ . 1 .]" 1
260 1 15 VAL H 1 23 ILE HB . . 5.400 4.355 3.337 4.839 . 0 0 "[ . 1 .]" 1
261 1 15 VAL H 1 23 ILE H . . 5.700 4.516 4.295 4.793 . 0 0 "[ . 1 .]" 1
262 1 15 VAL H 1 23 ILE MD . . 6.720 4.519 3.636 5.664 . 0 0 "[ . 1 .]" 1
263 1 15 VAL MG1 1 22 ARG HA . . 6.720 2.355 2.128 2.674 . 0 0 "[ . 1 .]" 1
264 1 15 VAL MG2 1 22 ARG HA . . 6.720 4.990 4.561 5.376 . 0 0 "[ . 1 .]" 1
265 1 16 CYS HA 1 17 CYS H . . 2.800 2.160 2.069 2.282 . 0 0 "[ . 1 .]" 1
266 1 16 CYS HA 1 18 LYS H . . 5.400 3.844 3.750 3.975 . 0 0 "[ . 1 .]" 1
267 1 16 CYS HA 1 19 CYS H . . 5.400 4.637 4.522 4.826 . 0 0 "[ . 1 .]" 1
268 1 16 CYS HA 1 20 ASP H . . 5.400 5.034 4.863 5.314 . 0 0 "[ . 1 .]" 1
269 1 16 CYS HA 1 21 GLY H . . 5.400 4.773 4.631 4.898 . 0 0 "[ . 1 .]" 1
270 1 16 CYS HA 1 23 ILE MD . . 4.920 2.880 2.231 3.836 . 0 0 "[ . 1 .]" 1
271 1 16 CYS HA 1 47 PHE HB2 . . 5.400 4.979 4.189 5.471 0.071 8 0 "[ . 1 .]" 1
272 1 16 CYS HA 1 47 PHE HB3 . . 5.400 4.196 3.446 4.674 . 0 0 "[ . 1 .]" 1
273 1 16 CYS HA 1 47 PHE QD . . 7.530 5.569 4.578 6.236 . 0 0 "[ . 1 .]" 1
274 1 16 CYS HA 1 47 PHE H . . 5.400 4.007 3.254 4.457 . 0 0 "[ . 1 .]" 1
275 1 16 CYS HA 1 48 VAL H . . 5.400 3.666 2.488 4.308 . 0 0 "[ . 1 .]" 1
276 1 16 CYS HA 1 49 CYS H . . 5.400 3.201 3.009 3.448 . 0 0 "[ . 1 .]" 1
277 1 16 CYS HB2 1 17 CYS H . . 5.400 4.462 4.355 4.633 . 0 0 "[ . 1 .]" 1
278 1 16 CYS HB2 1 18 LYS H . . 5.400 4.730 4.650 4.849 . 0 0 "[ . 1 .]" 1
279 1 16 CYS HB2 1 20 ASP H . . 5.400 4.944 4.687 5.158 . 0 0 "[ . 1 .]" 1
280 1 16 CYS HB2 1 21 GLY H . . 5.400 3.464 3.143 3.694 . 0 0 "[ . 1 .]" 1
281 1 16 CYS HB2 1 23 ILE MD . . 6.720 2.357 2.058 2.998 . 0 0 "[ . 1 .]" 1
282 1 16 CYS HB2 1 49 CYS HB2 . . 7.600 4.219 3.846 4.628 . 0 0 "[ . 1 .]" 1
283 1 16 CYS HB2 1 49 CYS HB3 . . 7.600 2.653 2.229 3.193 . 0 0 "[ . 1 .]" 1
284 1 16 CYS HB2 1 49 CYS H . . 5.400 2.437 2.222 2.704 . 0 0 "[ . 1 .]" 1
285 1 16 CYS HB3 1 17 CYS H . . 5.400 4.319 4.233 4.412 . 0 0 "[ . 1 .]" 1
286 1 16 CYS HB3 1 18 LYS H . . 5.400 3.809 3.602 3.980 . 0 0 "[ . 1 .]" 1
287 1 16 CYS HB3 1 20 ASP H . . 5.400 3.225 2.951 3.439 . 0 0 "[ . 1 .]" 1
288 1 16 CYS HB3 1 21 GLY H . . 5.400 1.998 1.770 2.164 . 0 0 "[ . 1 .]" 1
289 1 16 CYS HB3 1 23 ILE MD . . 6.720 3.805 3.462 4.531 . 0 0 "[ . 1 .]" 1
290 1 16 CYS HB3 1 49 CYS HB2 . . 7.600 5.626 5.147 6.011 . 0 0 "[ . 1 .]" 1
291 1 16 CYS HB3 1 49 CYS HB3 . . 7.600 4.215 3.728 4.762 . 0 0 "[ . 1 .]" 1
292 1 16 CYS HB3 1 49 CYS H . . 5.400 3.789 3.579 3.974 . 0 0 "[ . 1 .]" 1
293 1 16 CYS H 1 16 CYS HB2 . . 3.600 2.578 2.469 2.669 . 0 0 "[ . 1 .]" 1
294 1 16 CYS H 1 16 CYS HB3 . . 3.600 2.475 2.395 2.539 . 0 0 "[ . 1 .]" 1
295 1 16 CYS H 1 17 CYS H . . 5.700 4.335 4.185 4.454 . 0 0 "[ . 1 .]" 1
296 1 16 CYS H 1 20 ASP HA . . 5.400 3.696 3.451 4.002 . 0 0 "[ . 1 .]" 1
297 1 16 CYS H 1 20 ASP H . . 5.700 4.350 4.172 4.577 . 0 0 "[ . 1 .]" 1
298 1 16 CYS H 1 21 GLY HA2 . . 5.400 4.488 4.359 4.622 . 0 0 "[ . 1 .]" 1
299 1 16 CYS H 1 21 GLY HA3 . . 5.400 3.848 3.561 4.192 . 0 0 "[ . 1 .]" 1
300 1 16 CYS H 1 21 GLY H . . 4.300 3.035 2.793 3.224 . 0 0 "[ . 1 .]" 1
301 1 16 CYS H 1 22 ARG HA . . 5.400 4.165 3.378 4.664 . 0 0 "[ . 1 .]" 1
302 1 16 CYS H 1 22 ARG H . . 5.700 4.834 4.742 4.983 . 0 0 "[ . 1 .]" 1
303 1 16 CYS H 1 23 ILE HB . . 5.400 4.676 2.990 5.465 0.065 4 0 "[ . 1 .]" 1
304 1 16 CYS H 1 23 ILE H . . 4.300 4.288 3.938 4.373 0.073 3 0 "[ . 1 .]" 1
305 1 16 CYS H 1 23 ILE MD . . 6.720 3.100 2.479 3.951 . 0 0 "[ . 1 .]" 1
306 1 17 CYS HA 1 18 LYS HA . . 5.400 4.610 4.525 4.696 . 0 0 "[ . 1 .]" 1
307 1 17 CYS HA 1 19 CYS H . . 5.400 4.692 4.337 4.986 . 0 0 "[ . 1 .]" 1
308 1 17 CYS HA 1 20 ASP H . . 5.400 4.069 3.607 4.430 . 0 0 "[ . 1 .]" 1
309 1 17 CYS HA 1 46 SER HB2 . . 5.400 4.538 3.945 5.266 . 0 0 "[ . 1 .]" 1
310 1 17 CYS HA 1 46 SER HB3 . . 5.400 4.162 3.166 5.182 . 0 0 "[ . 1 .]" 1
311 1 17 CYS HB2 1 18 LYS H . . 5.400 4.285 4.091 4.541 . 0 0 "[ . 1 .]" 1
312 1 17 CYS HB2 1 46 SER HB2 . . 5.400 2.609 2.052 3.153 . 0 0 "[ . 1 .]" 1
313 1 17 CYS HB2 1 46 SER HB3 . . 5.400 2.443 2.127 3.096 . 0 0 "[ . 1 .]" 1
314 1 17 CYS HB2 1 47 PHE H . . 5.400 3.816 2.827 5.035 . 0 0 "[ . 1 .]" 1
315 1 17 CYS HB3 1 18 LYS H . . 5.400 3.406 3.125 3.706 . 0 0 "[ . 1 .]" 1
316 1 17 CYS HB3 1 46 SER HB2 . . 5.400 3.755 2.832 4.448 . 0 0 "[ . 1 .]" 1
317 1 17 CYS HB3 1 46 SER HB3 . . 5.400 3.786 2.802 4.524 . 0 0 "[ . 1 .]" 1
318 1 17 CYS HB3 1 47 PHE H . . 5.400 5.110 4.306 5.474 0.074 7 0 "[ . 1 .]" 1
319 1 17 CYS H 1 17 CYS HB2 . . 3.600 2.257 2.186 2.406 . 0 0 "[ . 1 .]" 1
320 1 17 CYS H 1 17 CYS HB3 . . 3.600 2.714 2.433 2.847 . 0 0 "[ . 1 .]" 1
321 1 17 CYS H 1 18 LYS HG2 . . 5.400 4.349 3.790 4.808 . 0 0 "[ . 1 .]" 1
322 1 17 CYS H 1 18 LYS HG3 . . 5.400 5.177 4.388 5.457 0.057 9 0 "[ . 1 .]" 1
323 1 17 CYS H 1 18 LYS H . . 4.300 3.062 2.984 3.181 . 0 0 "[ . 1 .]" 1
324 1 17 CYS H 1 19 CYS H . . 5.700 4.674 4.588 4.768 . 0 0 "[ . 1 .]" 1
325 1 17 CYS H 1 21 GLY H . . 5.700 5.775 5.758 5.788 0.088 1 0 "[ . 1 .]" 1
326 1 17 CYS H 1 23 ILE MD . . 6.720 4.627 3.887 5.572 . 0 0 "[ . 1 .]" 1
327 1 17 CYS H 1 46 SER HB2 . . 5.400 3.955 2.344 5.193 . 0 0 "[ . 1 .]" 1
328 1 17 CYS H 1 46 SER HB3 . . 5.400 3.749 3.100 4.638 . 0 0 "[ . 1 .]" 1
329 1 17 CYS H 1 47 PHE H . . 5.700 3.630 3.206 4.093 . 0 0 "[ . 1 .]" 1
330 1 17 CYS H 1 48 VAL HA . . 5.400 3.198 2.785 3.974 . 0 0 "[ . 1 .]" 1
331 1 18 LYS HA 1 20 ASP H . . 5.400 4.339 3.937 4.628 . 0 0 "[ . 1 .]" 1
332 1 18 LYS HB2 1 18 LYS HE2 . . 5.400 3.236 2.240 4.770 . 0 0 "[ . 1 .]" 1
333 1 18 LYS HB2 1 18 LYS HE3 . . 5.400 3.943 3.426 4.549 . 0 0 "[ . 1 .]" 1
334 1 18 LYS HB2 1 19 CYS H . . 5.400 3.865 2.499 4.274 . 0 0 "[ . 1 .]" 1
335 1 18 LYS HB3 1 18 LYS HE2 . . 5.400 2.785 2.087 4.728 . 0 0 "[ . 1 .]" 1
336 1 18 LYS HB3 1 18 LYS HE3 . . 5.400 3.405 2.553 4.563 . 0 0 "[ . 1 .]" 1
337 1 18 LYS HB3 1 19 CYS H . . 5.400 4.432 3.806 4.604 . 0 0 "[ . 1 .]" 1
338 1 18 LYS HD2 1 19 CYS H . . 5.400 5.352 4.799 5.484 0.084 4 0 "[ . 1 .]" 1
339 1 18 LYS HD2 1 56 GLN HA . . 5.400 4.503 2.610 5.455 0.055 13 0 "[ . 1 .]" 1
340 1 18 LYS HD3 1 19 CYS H . . 5.400 5.323 5.030 5.483 0.083 6 0 "[ . 1 .]" 1
341 1 18 LYS HD3 1 56 GLN HA . . 5.400 4.731 3.289 5.480 0.080 13 0 "[ . 1 .]" 1
342 1 18 LYS HE2 1 48 VAL MG1 . . 6.720 4.649 3.122 5.525 . 0 0 "[ . 1 .]" 1
343 1 18 LYS HE2 1 48 VAL MG2 . . 6.720 4.202 2.366 5.518 . 0 0 "[ . 1 .]" 1
344 1 18 LYS HE3 1 48 VAL MG1 . . 6.720 3.588 1.880 5.085 . 0 0 "[ . 1 .]" 1
345 1 18 LYS HE3 1 48 VAL MG2 . . 6.720 3.282 2.049 5.597 . 0 0 "[ . 1 .]" 1
346 1 18 LYS HG2 1 48 VAL MG1 . . 6.720 3.571 2.134 5.007 . 0 0 "[ . 1 .]" 1
347 1 18 LYS HG2 1 48 VAL MG2 . . 6.720 3.055 2.282 4.532 . 0 0 "[ . 1 .]" 1
348 1 18 LYS HG2 1 52 CYS HB2 . . 5.400 4.428 4.075 5.245 . 0 0 "[ . 1 .]" 1
349 1 18 LYS HG2 1 52 CYS HB3 . . 5.400 3.626 3.238 4.177 . 0 0 "[ . 1 .]" 1
350 1 18 LYS HG2 1 53 ALA MB . . 8.920 6.683 5.978 7.256 . 0 0 "[ . 1 .]" 1
351 1 18 LYS HG3 1 48 VAL MG1 . . 6.720 4.213 2.763 5.666 . 0 0 "[ . 1 .]" 1
352 1 18 LYS HG3 1 48 VAL MG2 . . 6.720 3.790 2.425 5.502 . 0 0 "[ . 1 .]" 1
353 1 18 LYS HG3 1 52 CYS HB2 . . 5.400 3.689 3.164 4.003 . 0 0 "[ . 1 .]" 1
354 1 18 LYS HG3 1 52 CYS HB3 . . 5.400 2.854 2.306 3.110 . 0 0 "[ . 1 .]" 1
355 1 18 LYS HG3 1 53 ALA MB . . 8.920 6.793 6.253 7.339 . 0 0 "[ . 1 .]" 1
356 1 18 LYS H 1 18 LYS HB2 . . 3.600 3.579 3.028 3.688 0.088 6 0 "[ . 1 .]" 1
357 1 18 LYS H 1 18 LYS HB3 . . 3.600 3.251 2.999 3.665 0.065 11 0 "[ . 1 .]" 1
358 1 18 LYS H 1 19 CYS HA . . 5.400 4.944 4.810 5.056 . 0 0 "[ . 1 .]" 1
359 1 18 LYS H 1 19 CYS H . . 4.300 2.278 2.154 2.393 . 0 0 "[ . 1 .]" 1
360 1 18 LYS H 1 20 ASP H . . 4.300 3.484 3.180 3.722 . 0 0 "[ . 1 .]" 1
361 1 18 LYS H 1 21 GLY H . . 5.400 4.990 4.757 5.372 . 0 0 "[ . 1 .]" 1
362 1 18 LYS H 1 48 VAL HA . . 5.400 4.218 4.031 4.632 . 0 0 "[ . 1 .]" 1
363 1 18 LYS H 1 48 VAL MG1 . . 6.720 4.618 2.874 5.699 . 0 0 "[ . 1 .]" 1
364 1 18 LYS H 1 48 VAL MG2 . . 6.720 4.060 3.269 5.701 . 0 0 "[ . 1 .]" 1
365 1 18 LYS H 1 49 CYS H . . 5.700 5.129 4.937 5.474 . 0 0 "[ . 1 .]" 1
366 1 19 CYS HA 1 19 CYS HB2 . . 2.800 2.326 2.290 2.383 . 0 0 "[ . 1 .]" 1
367 1 19 CYS HA 1 19 CYS HB3 . . 2.800 2.472 2.433 2.509 . 0 0 "[ . 1 .]" 1
368 1 19 CYS HB2 1 20 ASP H . . 5.400 4.392 4.342 4.441 . 0 0 "[ . 1 .]" 1
369 1 19 CYS HB2 1 21 GLY H . . 5.400 3.983 3.777 4.351 . 0 0 "[ . 1 .]" 1
370 1 19 CYS HB3 1 20 ASP H . . 5.400 4.438 4.380 4.488 . 0 0 "[ . 1 .]" 1
371 1 19 CYS HB3 1 21 GLY H . . 5.400 4.536 4.379 4.893 . 0 0 "[ . 1 .]" 1
372 1 19 CYS H 1 19 CYS HB2 . . 3.600 3.687 3.669 3.697 0.097 15 0 "[ . 1 .]" 1
373 1 19 CYS H 1 19 CYS HB3 . . 3.600 2.948 2.769 3.093 . 0 0 "[ . 1 .]" 1
374 1 19 CYS H 1 20 ASP HA . . 5.400 4.151 3.751 4.443 . 0 0 "[ . 1 .]" 1
375 1 19 CYS H 1 20 ASP HB2 . . 5.400 5.004 4.824 5.160 . 0 0 "[ . 1 .]" 1
376 1 19 CYS H 1 20 ASP HB3 . . 5.400 5.465 5.419 5.498 0.098 6 0 "[ . 1 .]" 1
377 1 19 CYS H 1 20 ASP H . . 4.300 2.126 1.870 2.349 . 0 0 "[ . 1 .]" 1
378 1 19 CYS H 1 21 GLY H . . 4.300 3.338 3.174 3.777 . 0 0 "[ . 1 .]" 1
379 1 19 CYS H 1 52 CYS HB2 . . 5.400 5.397 5.244 5.470 0.070 6 0 "[ . 1 .]" 1
380 1 19 CYS H 1 52 CYS HB3 . . 5.400 5.334 4.963 5.471 0.071 13 0 "[ . 1 .]" 1
381 1 20 ASP HB2 1 21 GLY H . . 5.400 4.551 4.256 4.609 . 0 0 "[ . 1 .]" 1
382 1 20 ASP HB3 1 21 GLY H . . 5.400 4.170 4.067 4.399 . 0 0 "[ . 1 .]" 1
383 1 20 ASP H 1 20 ASP HA . . 2.800 2.174 2.153 2.196 . 0 0 "[ . 1 .]" 1
384 1 20 ASP H 1 20 ASP HB2 . . 3.600 3.016 2.913 3.181 . 0 0 "[ . 1 .]" 1
385 1 20 ASP H 1 20 ASP HB3 . . 3.600 3.633 3.516 3.679 0.079 6 0 "[ . 1 .]" 1
386 1 20 ASP H 1 21 GLY H . . 4.300 2.730 2.637 2.965 . 0 0 "[ . 1 .]" 1
387 1 21 GLY HA2 1 22 ARG HA . . 5.400 4.260 4.078 4.355 . 0 0 "[ . 1 .]" 1
388 1 21 GLY HA2 1 22 ARG H . . 2.800 2.127 1.921 2.304 . 0 0 "[ . 1 .]" 1
389 1 21 GLY HA3 1 22 ARG HA . . 5.400 4.759 4.574 4.912 . 0 0 "[ . 1 .]" 1
390 1 21 GLY HA3 1 22 ARG H . . 2.800 2.885 2.865 2.895 0.095 1 0 "[ . 1 .]" 1
391 1 21 GLY H 1 22 ARG H . . 5.700 4.525 4.370 4.652 . 0 0 "[ . 1 .]" 1
392 1 21 GLY H 1 23 ILE MD . . 6.720 5.006 4.416 5.509 . 0 0 "[ . 1 .]" 1
393 1 22 ARG HA 1 22 ARG HD2 . . 5.400 4.221 3.550 4.641 . 0 0 "[ . 1 .]" 1
394 1 22 ARG HA 1 22 ARG HD3 . . 5.400 3.942 2.323 5.143 . 0 0 "[ . 1 .]" 1
395 1 22 ARG HA 1 23 ILE H . . 2.800 2.241 2.130 2.370 . 0 0 "[ . 1 .]" 1
396 1 22 ARG HB2 1 23 ILE H . . 5.400 4.072 2.726 4.643 . 0 0 "[ . 1 .]" 1
397 1 22 ARG HB3 1 23 ILE H . . 5.400 4.394 3.992 4.558 . 0 0 "[ . 1 .]" 1
398 1 22 ARG HD2 1 23 ILE HA . . 5.400 4.395 3.145 5.470 0.070 1 0 "[ . 1 .]" 1
399 1 22 ARG HD2 1 24 GLU HB2 . . 5.400 4.160 2.798 5.316 . 0 0 "[ . 1 .]" 1
400 1 22 ARG HD2 1 24 GLU HB3 . . 5.400 4.948 3.663 5.481 0.081 1 0 "[ . 1 .]" 1
401 1 22 ARG HD2 1 24 GLU H . . 5.400 4.117 2.676 5.404 0.004 12 0 "[ . 1 .]" 1
402 1 22 ARG HD3 1 23 ILE HA . . 5.400 3.883 2.955 5.451 0.051 10 0 "[ . 1 .]" 1
403 1 22 ARG HD3 1 24 GLU HB2 . . 5.400 3.374 2.502 4.433 . 0 0 "[ . 1 .]" 1
404 1 22 ARG HD3 1 24 GLU HB3 . . 5.400 4.277 2.719 5.400 0.000 10 0 "[ . 1 .]" 1
405 1 22 ARG HD3 1 24 GLU H . . 5.400 3.397 2.414 4.877 . 0 0 "[ . 1 .]" 1
406 1 22 ARG H 1 22 ARG HB2 . . 3.600 2.789 2.269 3.678 0.078 10 0 "[ . 1 .]" 1
407 1 22 ARG H 1 22 ARG HB3 . . 3.600 2.422 2.243 2.605 . 0 0 "[ . 1 .]" 1
408 1 22 ARG H 1 22 ARG HD2 . . 5.400 4.607 4.179 5.506 0.106 1 0 "[ . 1 .]" 1
409 1 22 ARG H 1 22 ARG HD3 . . 5.400 4.935 4.652 5.258 . 0 0 "[ . 1 .]" 1
410 1 22 ARG H 1 22 ARG HG2 . . 5.400 4.245 3.328 4.535 . 0 0 "[ . 1 .]" 1
411 1 22 ARG H 1 22 ARG HG3 . . 5.400 3.983 2.336 4.598 . 0 0 "[ . 1 .]" 1
412 1 22 ARG H 1 23 ILE HA . . 5.400 5.450 5.265 5.480 0.080 14 0 "[ . 1 .]" 1
413 1 22 ARG H 1 23 ILE H . . 5.700 4.570 4.418 4.699 . 0 0 "[ . 1 .]" 1
414 1 23 ILE HA 1 24 GLU HA . . 5.400 4.480 4.298 4.546 . 0 0 "[ . 1 .]" 1
415 1 23 ILE HA 1 24 GLU HB2 . . 5.400 4.657 4.400 5.499 0.099 14 0 "[ . 1 .]" 1
416 1 23 ILE HA 1 24 GLU HB3 . . 5.400 4.578 4.316 4.859 . 0 0 "[ . 1 .]" 1
417 1 23 ILE HB 1 24 GLU H . . 5.400 4.311 3.659 4.625 . 0 0 "[ . 1 .]" 1
418 1 23 ILE HB 1 47 PHE HB2 . . 5.400 4.540 3.592 5.463 0.063 7 0 "[ . 1 .]" 1
419 1 23 ILE HB 1 47 PHE HB3 . . 5.400 4.111 3.099 4.937 . 0 0 "[ . 1 .]" 1
420 1 23 ILE H 1 23 ILE HB . . 3.600 2.766 2.549 2.974 . 0 0 "[ . 1 .]" 1
421 1 23 ILE H 1 24 GLU HA . . 5.400 4.717 4.560 4.930 . 0 0 "[ . 1 .]" 1
422 1 23 ILE H 1 24 GLU H . . 5.700 4.029 3.661 4.491 . 0 0 "[ . 1 .]" 1
423 1 23 ILE MD 1 24 GLU H . . 6.720 5.159 4.030 5.609 . 0 0 "[ . 1 .]" 1
424 1 23 ILE MD 1 47 PHE QD . . 8.850 3.062 2.158 4.999 . 0 0 "[ . 1 .]" 1
425 1 23 ILE MD 1 47 PHE H . . 6.720 4.447 3.408 5.556 . 0 0 "[ . 1 .]" 1
426 1 23 ILE MD 1 48 VAL HA . . 6.720 3.458 2.875 4.222 . 0 0 "[ . 1 .]" 1
427 1 23 ILE MD 1 48 VAL H . . 6.720 3.748 3.036 5.457 . 0 0 "[ . 1 .]" 1
428 1 23 ILE MD 1 49 CYS HA . . 6.720 2.550 2.074 3.202 . 0 0 "[ . 1 .]" 1
429 1 23 ILE MD 1 49 CYS HB2 . . 6.720 3.576 3.193 4.091 . 0 0 "[ . 1 .]" 1
430 1 23 ILE MD 1 49 CYS HB3 . . 6.720 2.319 2.060 2.867 . 0 0 "[ . 1 .]" 1
431 1 23 ILE MD 1 49 CYS H . . 4.920 2.832 2.477 3.245 . 0 0 "[ . 1 .]" 1
432 1 23 ILE MD 1 50 PRO QD . . 9.610 3.737 3.244 4.241 . 0 0 "[ . 1 .]" 1
433 1 23 ILE MG 1 24 GLU HB2 . . 6.720 5.231 4.892 5.541 . 0 0 "[ . 1 .]" 1
434 1 23 ILE MG 1 24 GLU HB3 . . 6.720 4.867 4.492 5.533 . 0 0 "[ . 1 .]" 1
435 1 23 ILE MG 1 24 GLU H . . 6.720 3.153 2.268 3.847 . 0 0 "[ . 1 .]" 1
436 1 23 ILE MG 1 25 LEU HA . . 6.720 3.612 3.034 4.202 . 0 0 "[ . 1 .]" 1
437 1 23 ILE MG 1 25 LEU HG . . 6.720 3.259 2.696 3.844 . 0 0 "[ . 1 .]" 1
438 1 23 ILE MG 1 25 LEU H . . 6.720 3.797 3.251 4.104 . 0 0 "[ . 1 .]" 1
439 1 23 ILE MG 1 47 PHE HB2 . . 6.720 4.214 2.810 5.495 . 0 0 "[ . 1 .]" 1
440 1 23 ILE MG 1 47 PHE HB3 . . 6.720 3.493 2.166 4.655 . 0 0 "[ . 1 .]" 1
441 1 23 ILE MG 1 47 PHE QD . . 8.850 3.037 2.417 3.751 . 0 0 "[ . 1 .]" 1
442 1 23 ILE MG 1 47 PHE QE . . 8.850 4.021 3.141 5.346 . 0 0 "[ . 1 .]" 1
443 1 23 ILE MG 1 49 CYS HA . . 6.720 4.057 3.255 5.057 . 0 0 "[ . 1 .]" 1
444 1 23 ILE MG 1 50 PRO QD . . 9.610 4.254 3.371 5.838 . 0 0 "[ . 1 .]" 1
445 1 24 GLU HB2 1 25 LEU H . . 5.400 4.473 3.449 4.680 . 0 0 "[ . 1 .]" 1
446 1 24 GLU HB3 1 25 LEU H . . 5.400 4.553 4.329 4.699 . 0 0 "[ . 1 .]" 1
447 1 24 GLU HG2 1 25 LEU H . . 5.400 4.081 2.853 4.907 . 0 0 "[ . 1 .]" 1
448 1 24 GLU HG3 1 25 LEU H . . 5.400 4.083 3.756 4.475 . 0 0 "[ . 1 .]" 1
449 1 24 GLU H 1 24 GLU HB2 . . 3.600 2.741 2.424 3.629 0.029 14 0 "[ . 1 .]" 1
450 1 24 GLU H 1 24 GLU HB3 . . 3.600 2.476 2.212 2.843 . 0 0 "[ . 1 .]" 1
451 1 24 GLU H 1 24 GLU HG2 . . 5.400 4.286 2.358 4.569 . 0 0 "[ . 1 .]" 1
452 1 24 GLU H 1 24 GLU HG3 . . 5.400 4.468 3.568 5.067 . 0 0 "[ . 1 .]" 1
453 1 24 GLU H 1 25 LEU HG . . 5.400 5.277 4.990 5.469 0.069 14 0 "[ . 1 .]" 1
454 1 24 GLU H 1 25 LEU H . . 4.300 4.202 4.008 4.357 0.057 11 0 "[ . 1 .]" 1
455 1 25 LEU HA 1 26 THR HB . . 5.400 4.769 4.621 5.283 . 0 0 "[ . 1 .]" 1
456 1 25 LEU HA 1 26 THR H . . 2.800 2.326 2.243 2.441 . 0 0 "[ . 1 .]" 1
457 1 25 LEU HB2 1 26 THR H . . 5.400 4.365 3.301 4.515 . 0 0 "[ . 1 .]" 1
458 1 25 LEU HB3 1 26 THR H . . 5.400 4.034 2.391 4.303 . 0 0 "[ . 1 .]" 1
459 1 25 LEU HG 1 26 THR H . . 5.400 5.250 4.901 5.428 0.028 4 0 "[ . 1 .]" 1
460 1 25 LEU H 1 25 LEU HG . . 5.400 2.209 2.086 2.296 . 0 0 "[ . 1 .]" 1
461 1 25 LEU H 1 26 THR H . . 4.300 3.985 3.669 4.390 0.090 11 0 "[ . 1 .]" 1
462 1 25 LEU MD1 1 26 THR H . . 6.720 5.555 4.388 5.679 . 0 0 "[ . 1 .]" 1
463 1 25 LEU MD1 1 47 PHE QD . . 8.850 2.970 2.325 3.981 . 0 0 "[ . 1 .]" 1
464 1 25 LEU MD1 1 47 PHE QE . . 8.850 3.149 2.119 4.166 . 0 0 "[ . 1 .]" 1
465 1 25 LEU MD2 1 26 THR H . . 6.720 4.204 3.732 4.363 . 0 0 "[ . 1 .]" 1
466 1 25 LEU MD2 1 47 PHE QD . . 8.850 2.645 2.167 3.312 . 0 0 "[ . 1 .]" 1
467 1 25 LEU MD2 1 47 PHE QE . . 8.850 2.762 2.384 3.055 . 0 0 "[ . 1 .]" 1
468 1 26 THR HA 1 27 VAL H . . 2.800 2.172 2.040 2.381 . 0 0 "[ . 1 .]" 1
469 1 26 THR HB 1 27 VAL H . . 5.400 4.470 4.198 4.577 . 0 0 "[ . 1 .]" 1
470 1 26 THR H 1 26 THR HB . . 3.600 2.622 2.426 3.496 . 0 0 "[ . 1 .]" 1
471 1 26 THR H 1 27 VAL HA . . 5.400 5.280 4.626 5.428 0.028 13 0 "[ . 1 .]" 1
472 1 26 THR H 1 27 VAL H . . 4.300 4.236 3.992 4.346 0.046 6 0 "[ . 1 .]" 1
473 1 26 THR MG 1 27 VAL HA . . 6.720 4.074 3.944 4.292 . 0 0 "[ . 1 .]" 1
474 1 26 THR MG 1 27 VAL H . . 6.720 3.465 3.262 4.199 . 0 0 "[ . 1 .]" 1
475 1 26 THR MG 1 27 VAL MG1 . . 8.740 4.661 4.358 5.109 . 0 0 "[ . 1 .]" 1
476 1 26 THR MG 1 27 VAL MG2 . . 8.740 4.809 4.588 5.247 . 0 0 "[ . 1 .]" 1
477 1 26 THR MG 1 28 GLU H . . 6.720 5.385 4.756 5.523 . 0 0 "[ . 1 .]" 1
478 1 27 VAL HA 1 27 VAL HB . . 2.800 2.467 2.451 2.516 . 0 0 "[ . 1 .]" 1
479 1 27 VAL HA 1 28 GLU HA . . 5.400 4.482 4.308 4.577 . 0 0 "[ . 1 .]" 1
480 1 27 VAL HA 1 28 GLU H . . 2.800 2.392 2.066 2.530 . 0 0 "[ . 1 .]" 1
481 1 27 VAL HB 1 28 GLU H . . 3.600 2.539 2.225 3.221 . 0 0 "[ . 1 .]" 1
482 1 27 VAL H 1 28 GLU HA . . 5.400 4.795 4.462 5.134 . 0 0 "[ . 1 .]" 1
483 1 27 VAL H 1 28 GLU H . . 5.700 4.406 4.161 4.523 . 0 0 "[ . 1 .]" 1
484 1 27 VAL MG1 1 37 LEU MD1 . . 8.740 4.171 2.476 5.445 . 0 0 "[ . 1 .]" 1
485 1 27 VAL MG1 1 37 LEU MD2 . . 8.740 3.876 2.265 5.309 . 0 0 "[ . 1 .]" 1
486 1 27 VAL MG2 1 37 LEU MD1 . . 8.740 3.657 2.333 4.444 . 0 0 "[ . 1 .]" 1
487 1 27 VAL MG2 1 37 LEU MD2 . . 8.740 3.108 2.395 4.693 . 0 0 "[ . 1 .]" 1
488 1 28 GLU HA 1 28 GLU HG2 . . 3.600 2.973 2.435 3.681 0.081 15 0 "[ . 1 .]" 1
489 1 28 GLU HA 1 28 GLU HG3 . . 3.600 2.659 2.225 3.178 . 0 0 "[ . 1 .]" 1
490 1 28 GLU HA 1 29 SER H . . 2.800 2.254 2.122 2.417 . 0 0 "[ . 1 .]" 1
491 1 28 GLU HB2 1 29 SER H . . 5.400 4.514 4.073 4.687 . 0 0 "[ . 1 .]" 1
492 1 28 GLU HB3 1 29 SER H . . 5.400 3.910 3.545 4.152 . 0 0 "[ . 1 .]" 1
493 1 28 GLU H 1 28 GLU HG2 . . 5.400 4.293 3.765 4.597 . 0 0 "[ . 1 .]" 1
494 1 28 GLU H 1 28 GLU HG3 . . 5.400 3.466 2.678 4.101 . 0 0 "[ . 1 .]" 1
495 1 28 GLU H 1 29 SER HA . . 5.400 4.880 4.513 5.379 . 0 0 "[ . 1 .]" 1
496 1 28 GLU H 1 29 SER H . . 4.300 4.028 3.523 4.372 0.072 11 0 "[ . 1 .]" 1
497 1 29 SER HA 1 30 SER H . . 2.800 2.287 1.987 2.592 . 0 0 "[ . 1 .]" 1
498 1 29 SER HB2 1 34 LEU H . . 5.400 4.949 3.197 5.473 0.073 9 0 "[ . 1 .]" 1
499 1 29 SER HB3 1 34 LEU H . . 5.400 4.041 2.934 5.410 0.010 13 0 "[ . 1 .]" 1
500 1 29 SER H 1 29 SER HB2 . . 3.600 3.177 2.504 3.677 0.077 15 0 "[ . 1 .]" 1
501 1 29 SER H 1 29 SER HB3 . . 3.600 3.251 2.576 3.698 0.098 12 0 "[ . 1 .]" 1
502 1 29 SER H 1 30 SER H . . 5.700 4.274 3.979 4.437 . 0 0 "[ . 1 .]" 1
503 1 30 SER HA 1 31 ALA MB . . 6.720 4.141 4.029 4.215 . 0 0 "[ . 1 .]" 1
504 1 30 SER HA 1 32 GLU H . . 5.400 4.606 4.089 5.401 0.001 13 0 "[ . 1 .]" 1
505 1 30 SER HA 1 33 ASP H . . 5.400 5.070 4.765 5.481 0.081 13 0 "[ . 1 .]" 1
506 1 30 SER HB2 1 33 ASP H . . 5.400 3.200 2.791 4.055 . 0 0 "[ . 1 .]" 1
507 1 30 SER HB2 1 34 LEU H . . 5.400 4.553 3.767 5.463 0.063 4 0 "[ . 1 .]" 1
508 1 30 SER HB3 1 33 ASP H . . 5.400 4.049 2.293 4.428 . 0 0 "[ . 1 .]" 1
509 1 30 SER HB3 1 34 LEU H . . 5.400 5.245 4.019 5.452 0.052 11 0 "[ . 1 .]" 1
510 1 30 SER H 1 30 SER HB2 . . 3.600 2.506 2.390 2.601 . 0 0 "[ . 1 .]" 1
511 1 30 SER H 1 30 SER HB3 . . 3.600 3.547 2.632 3.670 0.070 14 0 "[ . 1 .]" 1
512 1 30 SER H 1 33 ASP HB2 . . 5.400 4.182 3.272 5.465 0.065 11 0 "[ . 1 .]" 1
513 1 30 SER H 1 33 ASP HB3 . . 5.400 3.013 2.005 4.212 . 0 0 "[ . 1 .]" 1
514 1 30 SER H 1 33 ASP H . . 5.400 4.255 3.748 4.734 . 0 0 "[ . 1 .]" 1
515 1 30 SER H 1 34 LEU H . . 5.700 4.295 3.251 4.787 . 0 0 "[ . 1 .]" 1
516 1 31 ALA HA 1 33 ASP H . . 5.400 4.708 4.519 5.091 . 0 0 "[ . 1 .]" 1
517 1 31 ALA HA 1 34 LEU HA . . 5.400 5.309 5.140 5.465 0.065 10 0 "[ . 1 .]" 1
518 1 31 ALA HA 1 34 LEU HB2 . . 5.400 3.578 3.105 4.007 . 0 0 "[ . 1 .]" 1
519 1 31 ALA HA 1 34 LEU HB3 . . 5.400 2.400 2.170 2.697 . 0 0 "[ . 1 .]" 1
520 1 31 ALA HA 1 34 LEU HG . . 5.400 5.125 4.490 5.459 0.059 13 0 "[ . 1 .]" 1
521 1 31 ALA HA 1 34 LEU H . . 3.600 3.618 3.483 3.673 0.073 12 0 "[ . 1 .]" 1
522 1 31 ALA HA 1 34 LEU MD1 . . 6.720 3.940 3.434 4.969 . 0 0 "[ . 1 .]" 1
523 1 31 ALA HA 1 34 LEU MD2 . . 6.720 3.078 2.651 3.464 . 0 0 "[ . 1 .]" 1
524 1 31 ALA HA 1 35 ARG H . . 5.400 3.887 3.720 4.135 . 0 0 "[ . 1 .]" 1
525 1 31 ALA MB 1 32 GLU HA . . 6.720 3.789 3.516 3.952 . 0 0 "[ . 1 .]" 1
526 1 31 ALA MB 1 32 GLU HG2 . . 6.720 4.982 4.329 5.542 . 0 0 "[ . 1 .]" 1
527 1 31 ALA MB 1 32 GLU HG3 . . 6.720 4.140 3.063 5.539 . 0 0 "[ . 1 .]" 1
528 1 31 ALA MB 1 32 GLU H . . 4.920 2.502 1.977 2.730 . 0 0 "[ . 1 .]" 1
529 1 31 ALA MB 1 33 ASP H . . 6.720 4.634 4.039 5.066 . 0 0 "[ . 1 .]" 1
530 1 31 ALA MB 1 34 LEU H . . 6.720 4.683 4.437 4.790 . 0 0 "[ . 1 .]" 1
531 1 31 ALA MB 1 35 ARG H . . 6.720 4.423 4.301 4.601 . 0 0 "[ . 1 .]" 1
532 1 32 GLU HA 1 34 LEU H . . 5.400 4.584 4.233 4.837 . 0 0 "[ . 1 .]" 1
533 1 32 GLU HA 1 35 ARG HB2 . . 5.400 3.228 2.636 3.785 . 0 0 "[ . 1 .]" 1
534 1 32 GLU HA 1 35 ARG HB3 . . 5.400 2.960 2.460 4.029 . 0 0 "[ . 1 .]" 1
535 1 32 GLU HA 1 35 ARG HD2 . . 5.400 4.669 3.904 5.325 . 0 0 "[ . 1 .]" 1
536 1 32 GLU HA 1 35 ARG HD3 . . 5.400 4.245 3.352 5.469 0.069 10 0 "[ . 1 .]" 1
537 1 32 GLU HA 1 35 ARG H . . 3.600 3.433 3.168 3.662 0.062 3 0 "[ . 1 .]" 1
538 1 32 GLU HA 1 36 THR H . . 5.400 3.961 3.693 4.383 . 0 0 "[ . 1 .]" 1
539 1 32 GLU HB2 1 33 ASP H . . 5.400 3.032 2.292 3.815 . 0 0 "[ . 1 .]" 1
540 1 32 GLU HB3 1 33 ASP H . . 5.400 3.118 2.418 3.643 . 0 0 "[ . 1 .]" 1
541 1 32 GLU HG2 1 33 ASP H . . 5.400 4.763 3.847 5.092 . 0 0 "[ . 1 .]" 1
542 1 32 GLU HG3 1 33 ASP H . . 5.400 4.634 4.267 5.175 . 0 0 "[ . 1 .]" 1
543 1 32 GLU H 1 32 GLU HA . . 2.800 2.841 2.803 2.862 0.062 6 0 "[ . 1 .]" 1
544 1 32 GLU H 1 32 GLU HB2 . . 3.600 2.372 2.095 2.843 . 0 0 "[ . 1 .]" 1
545 1 32 GLU H 1 32 GLU HB3 . . 3.600 3.147 2.382 3.587 . 0 0 "[ . 1 .]" 1
546 1 32 GLU H 1 32 GLU HG2 . . 5.400 3.970 3.492 4.554 . 0 0 "[ . 1 .]" 1
547 1 32 GLU H 1 32 GLU HG3 . . 5.400 3.224 2.185 4.461 . 0 0 "[ . 1 .]" 1
548 1 32 GLU H 1 33 ASP HA . . 5.400 5.356 5.205 5.460 0.060 3 0 "[ . 1 .]" 1
549 1 32 GLU H 1 33 ASP HB2 . . 5.400 5.276 4.972 5.462 0.062 13 0 "[ . 1 .]" 1
550 1 32 GLU H 1 33 ASP HB3 . . 5.400 4.713 4.177 5.286 . 0 0 "[ . 1 .]" 1
551 1 32 GLU H 1 33 ASP H . . 4.300 2.718 2.519 2.966 . 0 0 "[ . 1 .]" 1
552 1 32 GLU H 1 34 LEU H . . 4.300 4.027 3.708 4.220 . 0 0 "[ . 1 .]" 1
553 1 33 ASP HA 1 35 ARG H . . 5.400 4.446 4.157 4.676 . 0 0 "[ . 1 .]" 1
554 1 33 ASP HA 1 36 THR HB . . 5.400 2.589 2.422 2.879 . 0 0 "[ . 1 .]" 1
555 1 33 ASP HA 1 36 THR H . . 3.600 3.377 2.833 3.590 . 0 0 "[ . 1 .]" 1
556 1 33 ASP HA 1 36 THR MG . . 6.720 3.934 3.772 4.205 . 0 0 "[ . 1 .]" 1
557 1 33 ASP HA 1 37 LEU H . . 5.400 3.753 3.551 4.070 . 0 0 "[ . 1 .]" 1
558 1 33 ASP H 1 33 ASP HA . . 2.800 2.861 2.815 2.878 0.078 7 0 "[ . 1 .]" 1
559 1 33 ASP H 1 34 LEU HA . . 5.400 5.254 5.132 5.420 0.020 2 0 "[ . 1 .]" 1
560 1 33 ASP H 1 34 LEU H . . 4.300 2.617 2.454 2.826 . 0 0 "[ . 1 .]" 1
561 1 33 ASP H 1 35 ARG H . . 4.300 4.074 3.927 4.255 . 0 0 "[ . 1 .]" 1
562 1 34 LEU HA 1 34 LEU HG . . 3.600 2.659 2.455 3.130 . 0 0 "[ . 1 .]" 1
563 1 34 LEU HA 1 35 ARG HA . . 5.400 4.807 4.743 4.866 . 0 0 "[ . 1 .]" 1
564 1 34 LEU HA 1 36 THR H . . 5.400 4.691 4.481 4.856 . 0 0 "[ . 1 .]" 1
565 1 34 LEU HA 1 37 LEU HB2 . . 5.400 5.018 3.358 5.278 . 0 0 "[ . 1 .]" 1
566 1 34 LEU HA 1 37 LEU HB3 . . 5.400 4.275 4.023 4.637 . 0 0 "[ . 1 .]" 1
567 1 34 LEU HA 1 37 LEU HG . . 5.400 2.368 2.159 2.517 . 0 0 "[ . 1 .]" 1
568 1 34 LEU HA 1 37 LEU H . . 5.400 3.654 3.377 3.945 . 0 0 "[ . 1 .]" 1
569 1 34 LEU HA 1 37 LEU MD1 . . 6.720 3.494 2.245 3.875 . 0 0 "[ . 1 .]" 1
570 1 34 LEU HA 1 37 LEU MD2 . . 6.720 2.494 2.290 3.795 . 0 0 "[ . 1 .]" 1
571 1 34 LEU HA 1 38 GLN H . . 5.400 3.878 3.672 4.120 . 0 0 "[ . 1 .]" 1
572 1 34 LEU HB2 1 35 ARG H . . 5.400 3.979 3.787 4.225 . 0 0 "[ . 1 .]" 1
573 1 34 LEU HB3 1 35 ARG H . . 5.400 2.688 2.553 3.031 . 0 0 "[ . 1 .]" 1
574 1 34 LEU HG 1 35 ARG HA . . 5.400 4.282 3.687 4.636 . 0 0 "[ . 1 .]" 1
575 1 34 LEU HG 1 35 ARG H . . 5.400 4.157 3.794 4.337 . 0 0 "[ . 1 .]" 1
576 1 34 LEU HG 1 37 LEU MD1 . . 6.720 4.127 3.066 4.721 . 0 0 "[ . 1 .]" 1
577 1 34 LEU HG 1 37 LEU MD2 . . 6.720 4.267 3.709 5.502 . 0 0 "[ . 1 .]" 1
578 1 34 LEU HG 1 38 GLN HA . . 5.400 5.474 5.456 5.487 0.087 8 0 "[ . 1 .]" 1
579 1 34 LEU HG 1 38 GLN HE21 . . 5.400 3.164 2.069 4.139 . 0 0 "[ . 1 .]" 1
580 1 34 LEU HG 1 38 GLN HE22 . . 5.400 3.935 2.468 5.420 0.020 7 0 "[ . 1 .]" 1
581 1 34 LEU HG 1 38 GLN H . . 5.400 4.383 4.190 4.645 . 0 0 "[ . 1 .]" 1
582 1 34 LEU H 1 34 LEU HB2 . . 3.600 2.607 2.450 2.777 . 0 0 "[ . 1 .]" 1
583 1 34 LEU H 1 34 LEU HB3 . . 3.600 2.456 2.309 2.681 . 0 0 "[ . 1 .]" 1
584 1 34 LEU H 1 34 LEU HG . . 5.400 4.517 4.454 4.559 . 0 0 "[ . 1 .]" 1
585 1 34 LEU H 1 35 ARG HB2 . . 5.400 5.010 4.215 5.446 0.046 4 0 "[ . 1 .]" 1
586 1 34 LEU H 1 35 ARG HB3 . . 5.400 5.225 4.870 5.482 0.082 11 0 "[ . 1 .]" 1
587 1 34 LEU H 1 35 ARG H . . 4.300 2.822 2.466 2.970 . 0 0 "[ . 1 .]" 1
588 1 34 LEU H 1 36 THR HB . . 5.400 5.288 5.083 5.441 0.041 13 0 "[ . 1 .]" 1
589 1 34 LEU H 1 36 THR H . . 5.700 4.308 3.969 4.496 . 0 0 "[ . 1 .]" 1
590 1 34 LEU MD1 1 35 ARG H . . 6.720 4.736 4.597 5.008 . 0 0 "[ . 1 .]" 1
591 1 34 LEU MD1 1 37 LEU MD1 . . 8.740 4.157 2.489 4.936 . 0 0 "[ . 1 .]" 1
592 1 34 LEU MD1 1 37 LEU MD2 . . 8.740 3.948 2.424 5.777 . 0 0 "[ . 1 .]" 1
593 1 34 LEU MD1 1 38 GLN HE21 . . 6.720 4.066 3.397 4.532 . 0 0 "[ . 1 .]" 1
594 1 34 LEU MD1 1 38 GLN HE22 . . 6.720 4.353 3.466 5.471 . 0 0 "[ . 1 .]" 1
595 1 34 LEU MD2 1 35 ARG H . . 6.720 3.178 2.710 4.251 . 0 0 "[ . 1 .]" 1
596 1 34 LEU MD2 1 37 LEU MD1 . . 8.740 5.044 4.330 5.667 . 0 0 "[ . 1 .]" 1
597 1 34 LEU MD2 1 37 LEU MD2 . . 8.740 5.026 4.585 5.930 . 0 0 "[ . 1 .]" 1
598 1 34 LEU MD2 1 38 GLN HE21 . . 6.720 2.978 2.364 4.443 . 0 0 "[ . 1 .]" 1
599 1 34 LEU MD2 1 38 GLN HE22 . . 6.720 3.292 1.980 5.463 . 0 0 "[ . 1 .]" 1
600 1 35 ARG HA 1 35 ARG HD2 . . 5.400 3.889 2.352 4.744 . 0 0 "[ . 1 .]" 1
601 1 35 ARG HA 1 35 ARG HD3 . . 5.400 4.367 3.521 4.715 . 0 0 "[ . 1 .]" 1
602 1 35 ARG HA 1 37 LEU H . . 5.400 4.697 4.494 4.842 . 0 0 "[ . 1 .]" 1
603 1 35 ARG HA 1 38 GLN HB2 . . 5.400 3.747 2.315 4.992 . 0 0 "[ . 1 .]" 1
604 1 35 ARG HA 1 38 GLN HB3 . . 5.400 3.089 2.326 4.007 . 0 0 "[ . 1 .]" 1
605 1 35 ARG HA 1 38 GLN HG2 . . 5.400 3.469 2.114 4.666 . 0 0 "[ . 1 .]" 1
606 1 35 ARG HA 1 38 GLN HG3 . . 5.400 4.528 3.535 5.350 . 0 0 "[ . 1 .]" 1
607 1 35 ARG HA 1 38 GLN H . . 3.600 3.564 3.422 3.679 0.079 10 0 "[ . 1 .]" 1
608 1 35 ARG HA 1 39 GLN H . . 5.400 4.120 3.885 4.273 . 0 0 "[ . 1 .]" 1
609 1 35 ARG HB2 1 36 THR H . . 3.600 3.587 3.060 3.684 0.084 15 0 "[ . 1 .]" 1
610 1 35 ARG HB2 1 39 GLN HE21 . . 5.400 4.955 4.563 5.457 0.057 9 0 "[ . 1 .]" 1
611 1 35 ARG HB2 1 39 GLN HE22 . . 5.400 5.265 4.573 5.469 0.069 12 0 "[ . 1 .]" 1
612 1 35 ARG HB3 1 36 THR H . . 3.600 2.450 2.197 2.860 . 0 0 "[ . 1 .]" 1
613 1 35 ARG HB3 1 39 GLN HE21 . . 5.400 4.509 3.742 5.458 0.058 12 0 "[ . 1 .]" 1
614 1 35 ARG HB3 1 39 GLN HE22 . . 5.400 4.935 3.126 5.476 0.076 2 0 "[ . 1 .]" 1
615 1 35 ARG HG2 1 36 THR H . . 5.400 4.119 3.477 5.093 . 0 0 "[ . 1 .]" 1
616 1 35 ARG HG2 1 39 GLN HE21 . . 5.400 3.072 2.421 4.120 . 0 0 "[ . 1 .]" 1
617 1 35 ARG HG2 1 39 GLN HE22 . . 5.400 3.205 2.426 3.704 . 0 0 "[ . 1 .]" 1
618 1 35 ARG HG3 1 36 THR H . . 5.400 4.675 4.304 4.954 . 0 0 "[ . 1 .]" 1
619 1 35 ARG HG3 1 39 GLN HE21 . . 5.400 3.019 2.502 4.405 . 0 0 "[ . 1 .]" 1
620 1 35 ARG HG3 1 39 GLN HE22 . . 5.400 3.054 2.444 4.442 . 0 0 "[ . 1 .]" 1
621 1 35 ARG H 1 35 ARG HD2 . . 5.400 4.589 2.716 5.492 0.092 12 0 "[ . 1 .]" 1
622 1 35 ARG H 1 35 ARG HD3 . . 5.400 4.804 3.575 5.257 . 0 0 "[ . 1 .]" 1
623 1 35 ARG H 1 35 ARG HG2 . . 5.400 4.490 4.219 4.606 . 0 0 "[ . 1 .]" 1
624 1 35 ARG H 1 35 ARG HG3 . . 5.400 4.421 4.316 4.590 . 0 0 "[ . 1 .]" 1
625 1 35 ARG H 1 36 THR HB . . 5.400 4.917 4.523 5.126 . 0 0 "[ . 1 .]" 1
626 1 35 ARG H 1 36 THR H . . 4.300 2.731 2.621 2.836 . 0 0 "[ . 1 .]" 1
627 1 35 ARG H 1 37 LEU HG . . 5.400 4.987 4.717 5.187 . 0 0 "[ . 1 .]" 1
628 1 35 ARG H 1 37 LEU H . . 4.300 4.311 4.043 4.373 0.073 14 0 "[ . 1 .]" 1
629 1 36 THR HA 1 38 GLN H . . 5.400 4.443 4.258 4.647 . 0 0 "[ . 1 .]" 1
630 1 36 THR HA 1 39 GLN HB2 . . 5.400 3.400 2.682 5.299 . 0 0 "[ . 1 .]" 1
631 1 36 THR HA 1 39 GLN HB3 . . 5.400 4.567 4.241 4.832 . 0 0 "[ . 1 .]" 1
632 1 36 THR HA 1 39 GLN HE21 . . 5.400 4.245 2.762 5.465 0.065 7 0 "[ . 1 .]" 1
633 1 36 THR HA 1 39 GLN HE22 . . 5.400 5.181 3.792 5.483 0.083 15 0 "[ . 1 .]" 1
634 1 36 THR HA 1 39 GLN HG2 . . 5.400 3.246 2.160 5.453 0.053 9 0 "[ . 1 .]" 1
635 1 36 THR HA 1 39 GLN HG3 . . 5.400 3.687 2.165 4.605 . 0 0 "[ . 1 .]" 1
636 1 36 THR HA 1 39 GLN H . . 3.600 3.444 3.254 3.659 0.059 9 0 "[ . 1 .]" 1
637 1 36 THR HB 1 37 LEU HA . . 5.400 4.274 4.099 4.655 . 0 0 "[ . 1 .]" 1
638 1 36 THR HB 1 37 LEU H . . 3.600 2.530 2.331 2.776 . 0 0 "[ . 1 .]" 1
639 1 36 THR HB 1 38 GLN H . . 5.400 4.887 4.687 5.047 . 0 0 "[ . 1 .]" 1
640 1 36 THR HB 1 39 GLN H . . 5.400 5.446 5.327 5.490 0.090 10 0 "[ . 1 .]" 1
641 1 36 THR H 1 36 THR HB . . 3.600 2.565 2.182 2.711 . 0 0 "[ . 1 .]" 1
642 1 36 THR H 1 37 LEU HA . . 5.400 5.426 5.273 5.468 0.068 12 0 "[ . 1 .]" 1
643 1 36 THR H 1 37 LEU H . . 5.700 2.895 2.728 2.996 . 0 0 "[ . 1 .]" 1
644 1 36 THR H 1 38 GLN H . . 4.300 4.115 3.936 4.353 0.053 12 0 "[ . 1 .]" 1
645 1 36 THR H 1 39 GLN H . . 5.700 4.701 4.602 4.824 . 0 0 "[ . 1 .]" 1
646 1 36 THR MG 1 37 LEU HA . . 6.720 3.576 3.407 3.751 . 0 0 "[ . 1 .]" 1
647 1 36 THR MG 1 37 LEU H . . 6.720 3.531 3.353 3.730 . 0 0 "[ . 1 .]" 1
648 1 36 THR MG 1 39 GLN H . . 6.720 4.757 4.569 4.948 . 0 0 "[ . 1 .]" 1
649 1 36 THR MG 1 40 LEU HG . . 4.920 3.234 2.744 3.882 . 0 0 "[ . 1 .]" 1
650 1 36 THR MG 1 40 LEU H . . 6.720 4.225 4.089 4.335 . 0 0 "[ . 1 .]" 1
651 1 36 THR MG 1 40 LEU MD1 . . 8.740 3.152 2.343 4.666 . 0 0 "[ . 1 .]" 1
652 1 36 THR MG 1 40 LEU MD2 . . 8.740 3.515 2.635 3.824 . 0 0 "[ . 1 .]" 1
653 1 37 LEU HA 1 39 GLN H . . 5.400 4.241 4.092 4.419 . 0 0 "[ . 1 .]" 1
654 1 37 LEU HA 1 40 LEU HB2 . . 5.400 3.009 2.324 4.823 . 0 0 "[ . 1 .]" 1
655 1 37 LEU HA 1 40 LEU HB3 . . 5.400 4.287 3.963 4.686 . 0 0 "[ . 1 .]" 1
656 1 37 LEU HA 1 40 LEU HG . . 5.400 3.023 2.009 3.930 . 0 0 "[ . 1 .]" 1
657 1 37 LEU HA 1 40 LEU H . . 3.600 3.161 2.920 3.469 . 0 0 "[ . 1 .]" 1
658 1 37 LEU HA 1 41 PHE H . . 5.400 3.901 3.682 4.073 . 0 0 "[ . 1 .]" 1
659 1 37 LEU HB2 1 38 GLN H . . 5.400 4.150 2.379 4.334 . 0 0 "[ . 1 .]" 1
660 1 37 LEU HB3 1 38 GLN H . . 5.400 4.045 3.729 4.196 . 0 0 "[ . 1 .]" 1
661 1 37 LEU HG 1 38 GLN HA . . 5.400 4.245 3.811 5.486 0.086 15 0 "[ . 1 .]" 1
662 1 37 LEU HG 1 38 GLN H . . 5.400 2.590 2.385 3.506 . 0 0 "[ . 1 .]" 1
663 1 37 LEU HG 1 41 PHE QE . . 7.530 5.374 4.918 5.766 . 0 0 "[ . 1 .]" 1
664 1 37 LEU H 1 37 LEU HB2 . . 3.600 3.579 2.949 3.660 0.060 14 0 "[ . 1 .]" 1
665 1 37 LEU H 1 37 LEU HB3 . . 3.600 2.520 2.295 3.659 0.059 15 0 "[ . 1 .]" 1
666 1 37 LEU H 1 37 LEU HG . . 5.400 2.622 2.038 2.919 . 0 0 "[ . 1 .]" 1
667 1 37 LEU H 1 38 GLN HA . . 5.400 5.210 4.980 5.396 . 0 0 "[ . 1 .]" 1
668 1 37 LEU H 1 38 GLN H . . 4.300 2.619 2.416 2.754 . 0 0 "[ . 1 .]" 1
669 1 37 LEU H 1 39 GLN H . . 5.700 4.127 3.852 4.264 . 0 0 "[ . 1 .]" 1
670 1 37 LEU H 1 40 LEU HG . . 5.400 5.006 4.472 5.461 0.061 10 0 "[ . 1 .]" 1
671 1 37 LEU H 1 40 LEU H . . 5.700 4.761 4.611 4.937 . 0 0 "[ . 1 .]" 1
672 1 37 LEU MD1 1 38 GLN HA . . 6.720 3.061 2.700 4.783 . 0 0 "[ . 1 .]" 1
673 1 37 LEU MD1 1 38 GLN H . . 6.720 3.266 2.946 3.987 . 0 0 "[ . 1 .]" 1
674 1 37 LEU MD2 1 38 GLN HA . . 6.720 5.347 5.062 5.648 . 0 0 "[ . 1 .]" 1
675 1 37 LEU MD2 1 38 GLN H . . 6.720 4.174 4.024 4.356 . 0 0 "[ . 1 .]" 1
676 1 38 GLN HA 1 41 PHE HB2 . . 5.400 2.848 2.684 3.032 . 0 0 "[ . 1 .]" 1
677 1 38 GLN HA 1 41 PHE HB3 . . 5.400 4.424 4.250 4.642 . 0 0 "[ . 1 .]" 1
678 1 38 GLN HA 1 41 PHE QD . . 7.530 3.789 2.737 4.455 . 0 0 "[ . 1 .]" 1
679 1 38 GLN HA 1 41 PHE H . . 3.600 3.554 3.321 3.682 0.082 7 0 "[ . 1 .]" 1
680 1 38 GLN HB2 1 38 GLN HE22 . . 5.400 3.775 3.400 4.220 . 0 0 "[ . 1 .]" 1
681 1 38 GLN HB2 1 39 GLN H . . 5.400 3.942 3.254 4.265 . 0 0 "[ . 1 .]" 1
682 1 38 GLN HB3 1 38 GLN HE22 . . 5.400 4.187 3.424 4.918 . 0 0 "[ . 1 .]" 1
683 1 38 GLN HB3 1 39 GLN H . . 5.400 3.106 2.339 4.082 . 0 0 "[ . 1 .]" 1
684 1 38 GLN HG2 1 39 GLN HA . . 5.400 4.587 3.484 5.472 0.072 15 0 "[ . 1 .]" 1
685 1 38 GLN HG2 1 39 GLN HE21 . . 5.400 3.763 3.131 4.193 . 0 0 "[ . 1 .]" 1
686 1 38 GLN HG2 1 39 GLN HE22 . . 5.400 4.324 2.781 5.410 0.010 6 0 "[ . 1 .]" 1
687 1 38 GLN HG2 1 39 GLN H . . 5.400 3.730 2.454 4.888 . 0 0 "[ . 1 .]" 1
688 1 38 GLN HG3 1 39 GLN HA . . 5.400 4.148 3.008 5.293 . 0 0 "[ . 1 .]" 1
689 1 38 GLN HG3 1 39 GLN HE21 . . 5.400 4.210 3.758 4.762 . 0 0 "[ . 1 .]" 1
690 1 38 GLN HG3 1 39 GLN HE22 . . 5.400 4.900 4.102 5.480 0.080 12 0 "[ . 1 .]" 1
691 1 38 GLN HG3 1 39 GLN H . . 5.400 3.877 2.756 4.907 . 0 0 "[ . 1 .]" 1
692 1 38 GLN H 1 38 GLN HB2 . . 3.600 2.849 2.241 3.616 0.016 10 0 "[ . 1 .]" 1
693 1 38 GLN H 1 38 GLN HB3 . . 3.600 2.491 2.090 3.187 . 0 0 "[ . 1 .]" 1
694 1 38 GLN H 1 38 GLN HE21 . . 5.700 4.101 2.735 5.014 . 0 0 "[ . 1 .]" 1
695 1 38 GLN H 1 38 GLN HE22 . . 5.700 5.349 4.321 5.779 0.079 7 0 "[ . 1 .]" 1
696 1 38 GLN H 1 38 GLN HG2 . . 5.400 3.859 2.528 4.702 . 0 0 "[ . 1 .]" 1
697 1 38 GLN H 1 38 GLN HG3 . . 5.400 4.267 3.684 4.638 . 0 0 "[ . 1 .]" 1
698 1 38 GLN H 1 39 GLN H . . 4.300 2.695 2.485 2.835 . 0 0 "[ . 1 .]" 1
699 1 38 GLN H 1 40 LEU H . . 4.300 4.226 4.075 4.367 0.067 4 0 "[ . 1 .]" 1
700 1 38 GLN H 1 41 PHE QD . . 7.830 5.039 4.626 5.694 . 0 0 "[ . 1 .]" 1
701 1 38 GLN H 1 41 PHE H . . 5.700 4.804 4.694 4.906 . 0 0 "[ . 1 .]" 1
702 1 39 GLN HA 1 39 GLN HE21 . . 5.400 3.867 2.599 4.432 . 0 0 "[ . 1 .]" 1
703 1 39 GLN HA 1 39 GLN HE22 . . 5.400 4.582 3.565 5.501 0.101 6 0 "[ . 1 .]" 1
704 1 39 GLN HA 1 40 LEU HA . . 5.400 4.776 4.555 4.888 . 0 0 "[ . 1 .]" 1
705 1 39 GLN HA 1 41 PHE H . . 5.400 4.618 4.386 4.932 . 0 0 "[ . 1 .]" 1
706 1 39 GLN HA 1 42 LEU HB2 . . 5.400 2.863 2.177 3.689 . 0 0 "[ . 1 .]" 1
707 1 39 GLN HA 1 42 LEU HB3 . . 5.400 3.140 2.041 4.277 . 0 0 "[ . 1 .]" 1
708 1 39 GLN HA 1 42 LEU HG . . 5.400 4.280 3.633 5.266 . 0 0 "[ . 1 .]" 1
709 1 39 GLN HA 1 42 LEU H . . 3.600 3.396 3.129 3.662 0.062 4 0 "[ . 1 .]" 1
710 1 39 GLN HA 1 42 LEU MD1 . . 6.720 3.830 2.472 5.070 . 0 0 "[ . 1 .]" 1
711 1 39 GLN HA 1 42 LEU MD2 . . 6.720 3.782 2.625 5.209 . 0 0 "[ . 1 .]" 1
712 1 39 GLN HA 1 43 SER H . . 5.400 3.927 3.748 4.114 . 0 0 "[ . 1 .]" 1
713 1 39 GLN HB2 1 39 GLN HE22 . . 5.400 4.872 4.175 5.227 . 0 0 "[ . 1 .]" 1
714 1 39 GLN HB2 1 40 LEU HA . . 5.400 4.371 4.018 4.999 . 0 0 "[ . 1 .]" 1
715 1 39 GLN HB2 1 40 LEU H . . 5.400 2.885 2.485 4.070 . 0 0 "[ . 1 .]" 1
716 1 39 GLN HB2 1 42 LEU H . . 5.400 5.399 4.969 5.479 0.079 9 0 "[ . 1 .]" 1
717 1 39 GLN HB3 1 39 GLN HE22 . . 5.400 4.577 3.246 4.908 . 0 0 "[ . 1 .]" 1
718 1 39 GLN HB3 1 40 LEU HA . . 5.400 4.725 4.280 5.501 0.101 8 0 "[ . 1 .]" 1
719 1 39 GLN HB3 1 40 LEU H . . 5.400 3.811 3.370 4.233 . 0 0 "[ . 1 .]" 1
720 1 39 GLN HB3 1 42 LEU H . . 5.400 5.294 5.153 5.407 0.007 10 0 "[ . 1 .]" 1
721 1 39 GLN H 1 39 GLN HA . . 2.800 2.827 2.740 2.858 0.058 12 0 "[ . 1 .]" 1
722 1 39 GLN H 1 39 GLN HB2 . . 3.600 2.785 2.213 3.684 0.084 10 0 "[ . 1 .]" 1
723 1 39 GLN H 1 39 GLN HB3 . . 3.600 3.487 2.581 3.674 0.074 4 0 "[ . 1 .]" 1
724 1 39 GLN H 1 40 LEU HA . . 5.400 5.318 5.079 5.469 0.069 7 0 "[ . 1 .]" 1
725 1 39 GLN H 1 40 LEU HG . . 5.200 4.527 4.048 4.719 . 0 0 "[ . 1 .]" 1
726 1 39 GLN H 1 40 LEU H . . 4.300 2.720 2.602 2.952 . 0 0 "[ . 1 .]" 1
727 1 39 GLN H 1 40 LEU MD1 . . 6.720 5.379 5.109 5.518 . 0 0 "[ . 1 .]" 1
728 1 39 GLN H 1 40 LEU MD2 . . 6.720 5.453 4.967 5.612 . 0 0 "[ . 1 .]" 1
729 1 39 GLN H 1 41 PHE QD . . 7.530 5.856 5.486 6.322 . 0 0 "[ . 1 .]" 1
730 1 39 GLN H 1 41 PHE H . . 4.300 4.297 4.161 4.370 0.070 4 0 "[ . 1 .]" 1
731 1 40 LEU HA 1 40 LEU HG . . 3.600 3.157 2.883 3.624 0.024 14 0 "[ . 1 .]" 1
732 1 40 LEU HA 1 41 PHE HA . . 5.400 4.750 4.661 4.847 . 0 0 "[ . 1 .]" 1
733 1 40 LEU HA 1 42 LEU H . . 5.400 4.315 3.601 4.573 . 0 0 "[ . 1 .]" 1
734 1 40 LEU HA 1 43 SER HB2 . . 5.400 3.466 3.107 4.223 . 0 0 "[ . 1 .]" 1
735 1 40 LEU HA 1 43 SER HB3 . . 5.400 2.497 2.285 3.325 . 0 0 "[ . 1 .]" 1
736 1 40 LEU HA 1 43 SER H . . 3.600 3.313 3.032 3.402 . 0 0 "[ . 1 .]" 1
737 1 40 LEU HA 1 44 THR H . . 5.400 3.694 3.478 3.836 . 0 0 "[ . 1 .]" 1
738 1 40 LEU HA 1 44 THR MG . . 8.920 5.836 5.480 6.439 . 0 0 "[ . 1 .]" 1
739 1 40 LEU HA 1 45 LEU HB2 . . 5.400 4.231 3.658 4.602 . 0 0 "[ . 1 .]" 1
740 1 40 LEU HA 1 45 LEU HB3 . . 5.400 4.573 4.033 5.476 0.076 8 0 "[ . 1 .]" 1
741 1 40 LEU HA 1 45 LEU H . . 5.400 3.880 3.619 4.089 . 0 0 "[ . 1 .]" 1
742 1 40 LEU HB2 1 45 LEU HB2 . . 5.400 3.717 2.161 4.556 . 0 0 "[ . 1 .]" 1
743 1 40 LEU HB2 1 45 LEU HB3 . . 5.400 3.672 3.113 4.446 . 0 0 "[ . 1 .]" 1
744 1 40 LEU HB2 1 45 LEU MD1 . . 6.720 4.963 3.231 5.679 . 0 0 "[ . 1 .]" 1
745 1 40 LEU HB2 1 45 LEU MD2 . . 6.720 3.312 2.656 5.524 . 0 0 "[ . 1 .]" 1
746 1 40 LEU HB3 1 45 LEU HB2 . . 5.400 2.958 2.368 4.460 . 0 0 "[ . 1 .]" 1
747 1 40 LEU HB3 1 45 LEU HB3 . . 5.400 3.440 2.631 4.970 . 0 0 "[ . 1 .]" 1
748 1 40 LEU HB3 1 45 LEU MD1 . . 6.720 4.489 2.392 5.691 . 0 0 "[ . 1 .]" 1
749 1 40 LEU HB3 1 45 LEU MD2 . . 6.720 3.137 2.402 4.944 . 0 0 "[ . 1 .]" 1
750 1 40 LEU HG 1 41 PHE H . . 5.400 4.156 2.679 4.641 . 0 0 "[ . 1 .]" 1
751 1 40 LEU H 1 40 LEU HB2 . . 3.600 2.737 2.404 3.672 0.072 14 0 "[ . 1 .]" 1
752 1 40 LEU H 1 40 LEU HB3 . . 3.600 3.516 2.997 3.656 0.056 2 0 "[ . 1 .]" 1
753 1 40 LEU H 1 40 LEU HG . . 2.800 2.281 1.828 2.514 . 0 0 "[ . 1 .]" 1
754 1 40 LEU H 1 40 LEU MD1 . . 4.920 3.594 3.382 3.726 . 0 0 "[ . 1 .]" 1
755 1 40 LEU H 1 40 LEU MD2 . . 4.920 3.428 3.149 3.683 . 0 0 "[ . 1 .]" 1
756 1 40 LEU H 1 41 PHE H . . 4.300 2.806 2.693 2.886 . 0 0 "[ . 1 .]" 1
757 1 40 LEU H 1 42 LEU H . . 4.300 4.067 3.829 4.151 . 0 0 "[ . 1 .]" 1
758 1 40 LEU H 1 43 SER H . . 5.700 4.596 4.540 4.643 . 0 0 "[ . 1 .]" 1
759 1 40 LEU MD1 1 41 PHE H . . 6.720 4.058 2.118 4.635 . 0 0 "[ . 1 .]" 1
760 1 40 LEU MD2 1 41 PHE H . . 6.720 4.670 4.158 4.853 . 0 0 "[ . 1 .]" 1
761 1 41 PHE HA 1 43 SER H . . 5.400 4.284 4.147 4.375 . 0 0 "[ . 1 .]" 1
762 1 41 PHE HA 1 45 LEU HG . . 5.400 4.224 3.659 5.083 . 0 0 "[ . 1 .]" 1
763 1 41 PHE HA 1 45 LEU H . . 3.600 3.201 2.649 3.619 0.019 13 0 "[ . 1 .]" 1
764 1 41 PHE HA 1 45 LEU MD1 . . 6.720 4.811 4.253 5.129 . 0 0 "[ . 1 .]" 1
765 1 41 PHE HA 1 45 LEU MD2 . . 6.720 4.143 3.578 5.188 . 0 0 "[ . 1 .]" 1
766 1 41 PHE HA 1 46 SER H . . 5.400 4.671 4.181 5.154 . 0 0 "[ . 1 .]" 1
767 1 41 PHE HB2 1 42 LEU H . . 5.400 3.099 2.769 3.626 . 0 0 "[ . 1 .]" 1
768 1 41 PHE HB3 1 42 LEU H . . 5.400 3.765 3.370 4.221 . 0 0 "[ . 1 .]" 1
769 1 41 PHE QE 1 45 LEU MD1 . . 8.850 3.841 2.346 4.469 . 0 0 "[ . 1 .]" 1
770 1 41 PHE QE 1 45 LEU MD2 . . 8.850 3.118 2.202 5.012 . 0 0 "[ . 1 .]" 1
771 1 41 PHE H 1 42 LEU HA . . 5.400 5.341 5.206 5.449 0.049 15 0 "[ . 1 .]" 1
772 1 41 PHE H 1 42 LEU H . . 4.300 2.678 2.528 2.821 . 0 0 "[ . 1 .]" 1
773 1 41 PHE H 1 43 SER H . . 5.400 4.087 3.921 4.264 . 0 0 "[ . 1 .]" 1
774 1 42 LEU HA 1 42 LEU HG . . 3.600 3.143 2.505 3.683 0.083 7 0 "[ . 1 .]" 1
775 1 42 LEU HA 1 44 THR H . . 5.400 5.193 4.846 5.449 0.049 11 0 "[ . 1 .]" 1
776 1 42 LEU HB2 1 43 SER H . . 5.400 3.374 2.734 4.116 . 0 0 "[ . 1 .]" 1
777 1 42 LEU HB3 1 43 SER H . . 5.400 3.082 2.553 3.559 . 0 0 "[ . 1 .]" 1
778 1 42 LEU HG 1 43 SER H . . 5.400 4.663 3.872 5.236 . 0 0 "[ . 1 .]" 1
779 1 42 LEU H 1 42 LEU HG . . 5.400 3.930 2.695 4.527 . 0 0 "[ . 1 .]" 1
780 1 42 LEU H 1 43 SER HA . . 5.400 5.184 4.696 5.418 0.018 12 0 "[ . 1 .]" 1
781 1 42 LEU H 1 43 SER HB2 . . 5.400 4.969 4.698 5.496 0.096 7 0 "[ . 1 .]" 1
782 1 42 LEU H 1 43 SER HB3 . . 5.400 4.585 4.274 4.970 . 0 0 "[ . 1 .]" 1
783 1 42 LEU H 1 43 SER H . . 4.300 2.542 2.037 2.811 . 0 0 "[ . 1 .]" 1
784 1 42 LEU H 1 44 THR H . . 5.400 4.598 3.898 4.757 . 0 0 "[ . 1 .]" 1
785 1 42 LEU H 1 45 LEU H . . 5.700 5.213 4.441 5.458 . 0 0 "[ . 1 .]" 1
786 1 42 LEU MD1 1 43 SER H . . 6.720 4.598 3.529 4.824 . 0 0 "[ . 1 .]" 1
787 1 42 LEU MD2 1 43 SER H . . 6.720 4.293 3.132 4.861 . 0 0 "[ . 1 .]" 1
788 1 43 SER HA 1 45 LEU H . . 5.400 5.401 5.320 5.446 0.046 9 0 "[ . 1 .]" 1
789 1 43 SER HB2 1 44 THR H . . 3.600 3.658 3.466 3.675 0.075 4 0 "[ . 1 .]" 1
790 1 43 SER HB2 1 45 LEU H . . 5.400 5.133 4.979 5.248 . 0 0 "[ . 1 .]" 1
791 1 43 SER HB3 1 44 THR H . . 3.600 2.313 2.182 3.678 0.078 7 0 "[ . 1 .]" 1
792 1 43 SER HB3 1 45 LEU H . . 5.400 3.569 3.245 5.170 . 0 0 "[ . 1 .]" 1
793 1 43 SER H 1 43 SER HA . . 2.800 2.842 2.809 2.863 0.063 11 0 "[ . 1 .]" 1
794 1 43 SER H 1 43 SER HB2 . . 3.600 2.621 2.313 3.491 . 0 0 "[ . 1 .]" 1
795 1 43 SER H 1 43 SER HB3 . . 3.600 2.346 2.255 2.617 . 0 0 "[ . 1 .]" 1
796 1 43 SER H 1 44 THR HA . . 5.400 5.306 5.162 5.374 . 0 0 "[ . 1 .]" 1
797 1 43 SER H 1 44 THR H . . 4.300 2.839 2.528 2.924 . 0 0 "[ . 1 .]" 1
798 1 43 SER H 1 45 LEU H . . 4.300 4.165 3.797 4.333 0.033 13 0 "[ . 1 .]" 1
799 1 44 THR HB 1 45 LEU H . . 5.400 3.404 3.097 3.555 . 0 0 "[ . 1 .]" 1
800 1 44 THR H 1 44 THR HA . . 2.800 2.893 2.881 2.896 0.096 10 0 "[ . 1 .]" 1
801 1 44 THR H 1 45 LEU HA . . 5.400 4.571 4.500 4.607 . 0 0 "[ . 1 .]" 1
802 1 44 THR H 1 45 LEU HB2 . . 5.400 4.082 3.629 4.371 . 0 0 "[ . 1 .]" 1
803 1 44 THR H 1 45 LEU HB3 . . 5.400 4.270 3.942 5.038 . 0 0 "[ . 1 .]" 1
804 1 44 THR H 1 45 LEU H . . 4.300 1.844 1.790 1.919 . 0 0 "[ . 1 .]" 1
805 1 44 THR MG 1 45 LEU H . . 4.920 4.156 3.868 4.231 . 0 0 "[ . 1 .]" 1
806 1 45 LEU HA 1 46 SER H . . 2.800 2.418 2.186 2.534 . 0 0 "[ . 1 .]" 1
807 1 45 LEU HB2 1 46 SER H . . 5.400 4.164 4.014 4.349 . 0 0 "[ . 1 .]" 1
808 1 45 LEU HB3 1 46 SER H . . 5.400 3.635 2.720 4.239 . 0 0 "[ . 1 .]" 1
809 1 45 LEU HG 1 46 SER H . . 5.400 3.013 2.028 4.555 . 0 0 "[ . 1 .]" 1
810 1 45 LEU H 1 45 LEU HB2 . . 3.600 2.387 2.048 2.606 . 0 0 "[ . 1 .]" 1
811 1 45 LEU H 1 45 LEU HB3 . . 3.600 2.708 2.394 3.421 . 0 0 "[ . 1 .]" 1
812 1 45 LEU H 1 46 SER H . . 5.700 4.698 4.612 4.761 . 0 0 "[ . 1 .]" 1
813 1 46 SER HA 1 47 PHE HB2 . . 5.400 3.994 3.617 4.351 . 0 0 "[ . 1 .]" 1
814 1 46 SER HA 1 47 PHE HB3 . . 5.400 5.226 4.800 5.472 0.072 3 0 "[ . 1 .]" 1
815 1 46 SER HA 1 47 PHE QD . . 7.530 4.588 3.524 5.591 . 0 0 "[ . 1 .]" 1
816 1 46 SER HB2 1 47 PHE H . . 3.600 3.154 2.226 3.659 0.059 4 0 "[ . 1 .]" 1
817 1 46 SER HB3 1 47 PHE H . . 3.600 2.844 2.133 3.673 0.073 14 0 "[ . 1 .]" 1
818 1 46 SER H 1 47 PHE HA . . 5.400 4.502 4.415 4.660 . 0 0 "[ . 1 .]" 1
819 1 46 SER H 1 47 PHE H . . 4.300 4.282 4.190 4.362 0.062 4 0 "[ . 1 .]" 1
820 1 47 PHE HB2 1 48 VAL H . . 5.400 3.919 3.393 4.742 . 0 0 "[ . 1 .]" 1
821 1 47 PHE HB3 1 48 VAL H . . 5.400 2.882 2.075 4.497 . 0 0 "[ . 1 .]" 1
822 1 47 PHE QD 1 48 VAL H . . 7.530 3.806 2.103 4.896 . 0 0 "[ . 1 .]" 1
823 1 47 PHE H 1 47 PHE HB2 . . 3.600 2.482 2.347 2.761 . 0 0 "[ . 1 .]" 1
824 1 47 PHE H 1 47 PHE HB3 . . 3.600 3.122 2.682 3.565 . 0 0 "[ . 1 .]" 1
825 1 47 PHE H 1 48 VAL HA . . 5.400 4.685 4.295 4.946 . 0 0 "[ . 1 .]" 1
826 1 47 PHE H 1 48 VAL H . . 4.300 3.658 2.199 4.382 0.082 1 0 "[ . 1 .]" 1
827 1 48 VAL HA 1 49 CYS H . . 2.800 2.211 2.028 2.325 . 0 0 "[ . 1 .]" 1
828 1 48 VAL HB 1 49 CYS H . . 5.400 4.091 2.805 4.483 . 0 0 "[ . 1 .]" 1
829 1 48 VAL HB 1 53 ALA MB . . 6.720 4.239 2.982 5.353 . 0 0 "[ . 1 .]" 1
830 1 48 VAL H 1 48 VAL HA . . 2.800 2.674 2.215 2.887 0.087 3 0 "[ . 1 .]" 1
831 1 48 VAL H 1 48 VAL HB . . 3.600 3.295 2.509 3.691 0.091 1 0 "[ . 1 .]" 1
832 1 48 VAL H 1 49 CYS HA . . 5.400 4.895 4.387 5.455 0.055 4 0 "[ . 1 .]" 1
833 1 48 VAL H 1 49 CYS H . . 4.300 4.158 3.707 4.373 0.073 4 0 "[ . 1 .]" 1
834 1 48 VAL MG1 1 52 CYS HB2 . . 6.720 3.492 2.189 5.058 . 0 0 "[ . 1 .]" 1
835 1 48 VAL MG1 1 52 CYS HB3 . . 6.720 3.637 2.256 5.552 . 0 0 "[ . 1 .]" 1
836 1 48 VAL MG1 1 53 ALA HA . . 8.920 3.581 2.651 5.076 . 0 0 "[ . 1 .]" 1
837 1 48 VAL MG1 1 53 ALA H . . 6.720 3.645 2.388 5.339 . 0 0 "[ . 1 .]" 1
838 1 48 VAL MG1 1 53 ALA MB . . 8.740 3.033 2.444 4.844 . 0 0 "[ . 1 .]" 1
839 1 48 VAL MG2 1 52 CYS HB2 . . 6.720 3.587 2.185 4.588 . 0 0 "[ . 1 .]" 1
840 1 48 VAL MG2 1 52 CYS HB3 . . 6.720 3.613 2.122 4.523 . 0 0 "[ . 1 .]" 1
841 1 48 VAL MG2 1 53 ALA HA . . 8.920 3.935 2.652 5.266 . 0 0 "[ . 1 .]" 1
842 1 48 VAL MG2 1 53 ALA H . . 6.720 4.101 2.509 5.482 . 0 0 "[ . 1 .]" 1
843 1 48 VAL MG2 1 53 ALA MB . . 8.740 3.549 2.263 4.761 . 0 0 "[ . 1 .]" 1
844 1 49 CYS HA 1 50 PRO HG2 . . 5.400 4.652 4.609 4.696 . 0 0 "[ . 1 .]" 1
845 1 49 CYS HA 1 50 PRO HG3 . . 5.400 4.696 4.660 4.731 . 0 0 "[ . 1 .]" 1
846 1 49 CYS HA 1 51 TRP H . . 5.400 4.336 4.218 4.473 . 0 0 "[ . 1 .]" 1
847 1 49 CYS HB2 1 50 PRO QD . . 7.890 2.207 2.124 2.294 . 0 0 "[ . 1 .]" 1
848 1 49 CYS HB2 1 51 TRP H . . 5.400 3.058 2.845 3.249 . 0 0 "[ . 1 .]" 1
849 1 49 CYS HB3 1 50 PRO QD . . 7.890 3.375 3.262 3.436 . 0 0 "[ . 1 .]" 1
850 1 49 CYS HB3 1 51 TRP H . . 5.400 4.668 4.485 4.891 . 0 0 "[ . 1 .]" 1
851 1 49 CYS H 1 49 CYS HB2 . . 3.600 3.601 3.569 3.623 0.023 8 0 "[ . 1 .]" 1
852 1 49 CYS H 1 49 CYS HB3 . . 3.600 2.696 2.574 2.851 . 0 0 "[ . 1 .]" 1
853 1 49 CYS H 1 50 PRO QD . . 7.890 4.502 4.446 4.522 . 0 0 "[ . 1 .]" 1
854 1 49 CYS H 1 51 TRP H . . 5.400 5.328 5.185 5.455 0.055 4 0 "[ . 1 .]" 1
855 1 49 CYS H 1 52 CYS HB2 . . 5.400 2.964 2.711 3.428 . 0 0 "[ . 1 .]" 1
856 1 49 CYS H 1 52 CYS HB3 . . 5.400 4.409 4.072 4.994 . 0 0 "[ . 1 .]" 1
857 1 49 CYS H 1 52 CYS H . . 5.700 4.134 3.926 4.422 . 0 0 "[ . 1 .]" 1
858 1 49 CYS H 1 53 ALA H . . 5.700 4.563 4.270 4.959 . 0 0 "[ . 1 .]" 1
859 1 50 PRO HA 1 51 TRP HA . . 5.400 4.864 4.803 4.915 . 0 0 "[ . 1 .]" 1
860 1 50 PRO HA 1 52 CYS H . . 5.400 4.486 4.130 4.738 . 0 0 "[ . 1 .]" 1
861 1 50 PRO HA 1 53 ALA H . . 5.400 3.053 2.846 3.248 . 0 0 "[ . 1 .]" 1
862 1 50 PRO HA 1 53 ALA MB . . 4.920 2.139 2.066 2.241 . 0 0 "[ . 1 .]" 1
863 1 50 PRO HA 1 54 THR H . . 5.400 3.883 3.704 4.011 . 0 0 "[ . 1 .]" 1
864 1 50 PRO HB2 1 53 ALA MB . . 6.720 4.127 3.987 4.298 . 0 0 "[ . 1 .]" 1
865 1 50 PRO HB3 1 53 ALA MB . . 6.720 3.809 3.645 3.948 . 0 0 "[ . 1 .]" 1
866 1 50 PRO HG2 1 51 TRP H . . 5.400 2.680 2.537 2.759 . 0 0 "[ . 1 .]" 1
867 1 50 PRO HG3 1 51 TRP H . . 5.400 4.217 4.104 4.289 . 0 0 "[ . 1 .]" 1
868 1 50 PRO QD 1 52 CYS H . . 7.890 4.672 4.434 4.825 . 0 0 "[ . 1 .]" 1
869 1 51 TRP HA 1 51 TRP HE1 . . 5.400 5.115 4.869 5.479 0.079 11 0 "[ . 1 .]" 1
870 1 51 TRP HA 1 53 ALA H . . 5.400 4.539 4.371 4.675 . 0 0 "[ . 1 .]" 1
871 1 51 TRP HA 1 54 THR H . . 5.400 3.536 3.380 3.671 . 0 0 "[ . 1 .]" 1
872 1 51 TRP HA 1 54 THR MG . . 6.720 4.115 2.142 4.430 . 0 0 "[ . 1 .]" 1
873 1 51 TRP HA 1 55 ASN HD21 . . 5.400 3.140 2.900 4.221 . 0 0 "[ . 1 .]" 1
874 1 51 TRP HA 1 55 ASN HD22 . . 5.400 3.786 3.540 4.335 . 0 0 "[ . 1 .]" 1
875 1 51 TRP HB2 1 52 CYS H . . 5.400 3.867 3.808 3.938 . 0 0 "[ . 1 .]" 1
876 1 51 TRP HB3 1 52 CYS H . . 5.400 2.498 2.349 2.856 . 0 0 "[ . 1 .]" 1
877 1 51 TRP HD1 1 52 CYS H . . 5.700 4.979 3.712 5.732 0.032 7 0 "[ . 1 .]" 1
878 1 51 TRP HD1 1 55 ASN HD21 . . 5.400 3.821 3.259 4.346 . 0 0 "[ . 1 .]" 1
879 1 51 TRP HD1 1 55 ASN HD22 . . 5.400 3.544 2.615 4.965 . 0 0 "[ . 1 .]" 1
880 1 51 TRP HE1 1 55 ASN HB2 . . 5.400 4.835 3.691 5.176 . 0 0 "[ . 1 .]" 1
881 1 51 TRP HE1 1 55 ASN HB3 . . 5.400 5.219 4.014 5.463 0.063 9 0 "[ . 1 .]" 1
882 1 51 TRP HE3 1 52 CYS H . . 5.700 3.975 2.884 5.764 0.064 13 0 "[ . 1 .]" 1
883 1 51 TRP H 1 51 TRP HA . . 2.800 2.851 2.822 2.861 0.061 2 0 "[ . 1 .]" 1
884 1 51 TRP H 1 51 TRP HD1 . . 5.400 4.998 4.911 5.164 . 0 0 "[ . 1 .]" 1
885 1 51 TRP H 1 52 CYS HA . . 5.400 5.408 5.310 5.453 0.053 10 0 "[ . 1 .]" 1
886 1 51 TRP H 1 52 CYS H . . 4.300 2.804 2.636 2.897 . 0 0 "[ . 1 .]" 1
887 1 51 TRP H 1 53 ALA H . . 5.700 3.962 3.852 4.026 . 0 0 "[ . 1 .]" 1
888 1 51 TRP H 1 53 ALA MB . . 6.720 4.619 4.543 4.682 . 0 0 "[ . 1 .]" 1
889 1 51 TRP H 1 54 THR HB . . 5.400 5.372 5.294 5.480 0.080 15 0 "[ . 1 .]" 1
890 1 51 TRP H 1 54 THR H . . 5.400 4.643 4.597 4.759 . 0 0 "[ . 1 .]" 1
891 1 52 CYS HB2 1 53 ALA HA . . 5.400 4.683 4.449 4.836 . 0 0 "[ . 1 .]" 1
892 1 52 CYS HB2 1 53 ALA H . . 3.600 2.880 2.691 3.089 . 0 0 "[ . 1 .]" 1
893 1 52 CYS HB3 1 53 ALA HA . . 5.400 4.376 4.226 4.527 . 0 0 "[ . 1 .]" 1
894 1 52 CYS HB3 1 53 ALA H . . 3.600 3.601 3.436 3.673 0.073 10 0 "[ . 1 .]" 1
895 1 52 CYS H 1 52 CYS HB2 . . 3.600 2.324 2.190 2.469 . 0 0 "[ . 1 .]" 1
896 1 52 CYS H 1 52 CYS HB3 . . 3.600 3.543 3.472 3.593 . 0 0 "[ . 1 .]" 1
897 1 52 CYS H 1 53 ALA HA . . 5.400 5.293 5.108 5.428 0.028 6 0 "[ . 1 .]" 1
898 1 52 CYS H 1 53 ALA H . . 4.300 2.674 2.463 2.827 . 0 0 "[ . 1 .]" 1
899 1 52 CYS H 1 53 ALA MB . . 6.720 4.391 4.262 4.483 . 0 0 "[ . 1 .]" 1
900 1 52 CYS H 1 54 THR H . . 5.700 4.132 3.958 4.292 . 0 0 "[ . 1 .]" 1
901 1 53 ALA HA 1 56 GLN H . . 5.400 3.985 3.721 4.299 . 0 0 "[ . 1 .]" 1
902 1 53 ALA H 1 53 ALA HA . . 2.800 2.849 2.834 2.862 0.062 3 0 "[ . 1 .]" 1
903 1 53 ALA H 1 54 THR H . . 4.300 2.757 2.700 2.814 . 0 0 "[ . 1 .]" 1
904 1 53 ALA H 1 56 GLN H . . 5.700 4.762 4.572 4.921 . 0 0 "[ . 1 .]" 1
905 1 53 ALA MB 1 54 THR H . . 4.920 2.689 2.482 2.857 . 0 0 "[ . 1 .]" 1
906 1 54 THR HA 1 56 GLN H . . 5.400 4.467 4.072 5.068 . 0 0 "[ . 1 .]" 1
907 1 54 THR HB 1 55 ASN HD21 . . 5.400 2.720 2.366 4.667 . 0 0 "[ . 1 .]" 1
908 1 54 THR HB 1 55 ASN HD22 . . 5.400 3.461 2.871 5.320 . 0 0 "[ . 1 .]" 1
909 1 54 THR H 1 55 ASN HA . . 5.400 5.278 5.167 5.446 0.046 3 0 "[ . 1 .]" 1
910 1 54 THR H 1 55 ASN H . . 4.300 2.603 2.481 2.833 . 0 0 "[ . 1 .]" 1
911 1 54 THR H 1 56 GLN H . . 4.300 3.973 3.779 4.338 0.038 1 0 "[ . 1 .]" 1
912 1 54 THR MG 1 55 ASN HD21 . . 6.720 3.547 2.291 3.950 . 0 0 "[ . 1 .]" 1
913 1 54 THR MG 1 55 ASN HD22 . . 6.720 3.580 2.514 4.163 . 0 0 "[ . 1 .]" 1
914 1 54 THR MG 1 55 ASN H . . 6.720 3.599 2.885 3.982 . 0 0 "[ . 1 .]" 1
915 1 54 THR MG 1 56 GLN H . . 6.720 5.089 4.668 5.577 . 0 0 "[ . 1 .]" 1
916 1 55 ASN HD21 1 56 GLN H . . 5.700 4.293 4.220 4.370 . 0 0 "[ . 1 .]" 1
917 1 55 ASN HD22 1 56 GLN H . . 5.700 5.781 5.769 5.791 0.091 6 0 "[ . 1 .]" 1
918 1 55 ASN H 1 56 GLN H . . 4.300 2.374 2.101 2.504 . 0 0 "[ . 1 .]" 1
919 1 56 GLN H 1 56 GLN HG2 . . 5.400 4.070 2.599 5.461 0.061 13 0 "[ . 1 .]" 1
920 1 56 GLN H 1 56 GLN HG3 . . 5.400 3.980 2.344 5.084 . 0 0 "[ . 1 .]" 1
921 1 4 MET QG 1 6 GLU H . . 5.250 4.152 3.232 4.781 . 0 0 "[ . 1 .]" 1
922 1 6 GLU H 1 6 GLU QB . . 3.410 2.587 2.366 2.921 . 0 0 "[ . 1 .]" 1
923 1 6 GLU QB 1 7 PRO QD . . 3.460 2.192 2.070 2.446 . 0 0 "[ . 1 .]" 1
924 1 6 GLU QB 1 9 ARG H . . 5.250 3.452 2.586 4.396 . 0 0 "[ . 1 .]" 1
925 1 7 PRO QG 1 8 GLN HA . . 7.290 5.497 4.744 6.133 . 0 0 "[ . 1 .]" 1
926 1 8 GLN H 1 8 GLN QB . . 3.410 2.994 2.652 3.207 . 0 0 "[ . 1 .]" 1
927 1 8 GLN QB 1 29 SER H . . 5.250 3.563 2.737 4.536 . 0 0 "[ . 1 .]" 1
928 1 8 GLN QG 1 29 SER H . . 5.250 3.840 2.972 4.808 . 0 0 "[ . 1 .]" 1
929 1 9 ARG H 1 9 ARG QD . . 5.250 4.420 4.003 4.751 . 0 0 "[ . 1 .]" 1
930 1 9 ARG QB 1 28 GLU HA . . 5.250 4.049 3.592 4.679 . 0 0 "[ . 1 .]" 1
931 1 9 ARG QB 1 28 GLU QG . . 5.100 2.547 2.205 3.563 . 0 0 "[ . 1 .]" 1
932 1 9 ARG QG 1 28 GLU HA . . 5.250 4.183 3.628 4.665 . 0 0 "[ . 1 .]" 1
933 1 9 ARG QD 1 10 HIS H . . 5.250 4.419 3.399 4.829 . 0 0 "[ . 1 .]" 1
934 1 9 ARG QD 1 26 THR HB . . 7.290 5.911 4.002 6.560 . 0 0 "[ . 1 .]" 1
935 1 10 HIS H 1 27 VAL QG . . 6.610 3.345 2.944 3.914 . 0 0 "[ . 1 .]" 1
936 1 10 HIS HA 1 10 HIS QB . . 2.580 2.380 2.334 2.468 . 0 0 "[ . 1 .]" 1
937 1 10 HIS QB 1 27 VAL QG . . 7.300 2.675 2.100 3.369 . 0 0 "[ . 1 .]" 1
938 1 10 HIS HD2 1 27 VAL QG . . 8.790 5.558 3.682 6.217 . 0 0 "[ . 1 .]" 1
939 1 11 LYS H 1 11 LYS QB . . 3.410 2.570 2.139 2.788 . 0 0 "[ . 1 .]" 1
940 1 11 LYS H 1 12 ILE QG . . 5.250 3.915 3.574 4.376 . 0 0 "[ . 1 .]" 1
941 1 11 LYS HA 1 11 LYS QB . . 2.580 2.351 2.209 2.419 . 0 0 "[ . 1 .]" 1
942 1 11 LYS HA 1 25 LEU QB . . 7.290 4.359 4.109 4.617 . 0 0 "[ . 1 .]" 1
943 1 11 LYS HA 1 27 VAL QG . . 6.610 3.830 3.461 4.434 . 0 0 "[ . 1 .]" 1
944 1 11 LYS QB 1 11 LYS QE . . 4.450 2.334 1.882 3.366 . 0 0 "[ . 1 .]" 1
945 1 11 LYS QG 1 26 THR HB . . 5.250 3.906 2.093 4.382 . 0 0 "[ . 1 .]" 1
946 1 12 ILE H 1 12 ILE QG . . 3.550 2.504 2.147 2.890 . 0 0 "[ . 1 .]" 1
947 1 12 ILE H 1 25 LEU QD . . 6.610 4.213 4.105 4.417 . 0 0 "[ . 1 .]" 1
948 1 12 ILE H 1 27 VAL QG . . 6.610 3.276 2.853 3.924 . 0 0 "[ . 1 .]" 1
949 1 12 ILE MG 1 25 LEU QD . . 8.520 2.714 2.425 3.168 . 0 0 "[ . 1 .]" 1
950 1 12 ILE MG 1 37 LEU QD . . 8.520 2.791 2.166 3.474 . 0 0 "[ . 1 .]" 1
951 1 12 ILE QG 1 13 LEU H . . 5.250 4.478 4.325 4.741 . 0 0 "[ . 1 .]" 1
952 1 12 ILE QG 1 25 LEU QB . . 6.970 3.706 2.893 4.067 . 0 0 "[ . 1 .]" 1
953 1 12 ILE QG 1 26 THR HA . . 7.290 5.067 4.254 5.617 . 0 0 "[ . 1 .]" 1
954 1 12 ILE QG 1 27 VAL QG . . 7.740 2.858 2.231 3.364 . 0 0 "[ . 1 .]" 1
955 1 12 ILE QG 1 34 LEU HG . . 7.290 3.547 2.542 5.462 . 0 0 "[ . 1 .]" 1
956 1 12 ILE QG 1 34 LEU QD . . 5.890 2.513 2.015 3.459 . 0 0 "[ . 1 .]" 1
957 1 12 ILE QG 1 37 LEU QD . . 6.360 3.522 2.206 3.864 . 0 0 "[ . 1 .]" 1
958 1 12 ILE MD 1 27 VAL QG . . 6.690 2.394 2.002 2.972 . 0 0 "[ . 1 .]" 1
959 1 12 ILE MD 1 37 LEU QB . . 6.480 4.334 3.076 4.760 . 0 0 "[ . 1 .]" 1
960 1 13 LEU HA 1 24 GLU QB . . 5.250 3.784 2.865 4.297 . 0 0 "[ . 1 .]" 1
961 1 13 LEU HG 1 22 ARG QG . . 5.250 3.380 2.407 4.826 . 0 0 "[ . 1 .]" 1
962 1 13 LEU QD 1 22 ARG QG . . 5.770 2.291 1.937 3.201 . 0 0 "[ . 1 .]" 1
963 1 13 LEU QD 1 23 ILE H . . 6.610 3.421 2.878 4.124 . 0 0 "[ . 1 .]" 1
964 1 13 LEU QD 1 24 GLU H . . 6.610 4.208 3.440 5.007 . 0 0 "[ . 1 .]" 1
965 1 13 LEU QD 1 24 GLU QB . . 8.260 2.752 2.200 3.521 . 0 0 "[ . 1 .]" 1
966 1 13 LEU QD 1 24 GLU QG . . 7.740 3.219 2.515 4.487 . 0 0 "[ . 1 .]" 1
967 1 13 LEU QD 1 25 LEU H . . 6.610 4.683 3.889 5.108 . 0 0 "[ . 1 .]" 1
968 1 14 CYS H 1 25 LEU QD . . 6.610 3.459 3.296 3.791 . 0 0 "[ . 1 .]" 1
969 1 14 CYS QB 1 23 ILE H . . 5.250 4.279 3.566 4.824 . 0 0 "[ . 1 .]" 1
970 1 15 VAL QG 1 16 CYS H . . 4.800 3.237 3.160 3.280 . 0 0 "[ . 1 .]" 1
971 1 15 VAL QG 1 16 CYS HA . . 6.610 4.294 4.167 4.415 . 0 0 "[ . 1 .]" 1
972 1 15 VAL QG 1 16 CYS QB . . 8.260 4.264 4.098 4.314 . 0 0 "[ . 1 .]" 1
973 1 15 VAL QG 1 20 ASP HA . . 6.610 2.946 2.661 3.166 . 0 0 "[ . 1 .]" 1
974 1 15 VAL QG 1 21 GLY H . . 6.610 4.310 4.080 4.547 . 0 0 "[ . 1 .]" 1
975 1 15 VAL QG 1 22 ARG QG . . 7.740 4.078 3.698 4.646 . 0 0 "[ . 1 .]" 1
976 1 15 VAL QG 1 23 ILE H . . 6.610 3.254 2.854 3.596 . 0 0 "[ . 1 .]" 1
977 1 15 VAL QG 1 23 ILE HB . . 6.610 4.666 3.986 5.102 . 0 0 "[ . 1 .]" 1
978 1 15 VAL QG 1 23 ILE MG . . 10.580 5.287 3.924 5.676 . 0 0 "[ . 1 .]" 1
979 1 16 CYS H 1 23 ILE QG . . 5.250 3.015 2.527 4.632 . 0 0 "[ . 1 .]" 1
980 1 16 CYS QB 1 18 LYS QB . . 6.970 5.447 4.532 5.608 . 0 0 "[ . 1 .]" 1
981 1 16 CYS QB 1 19 CYS H . . 3.550 2.821 2.654 2.890 . 0 0 "[ . 1 .]" 1
982 1 16 CYS QB 1 20 ASP HA . . 5.250 3.815 3.546 4.062 . 0 0 "[ . 1 .]" 1
983 1 16 CYS QB 1 20 ASP QB . . 6.970 5.041 4.797 5.237 . 0 0 "[ . 1 .]" 1
984 1 16 CYS QB 1 21 GLY QA . . 4.680 3.064 2.789 3.447 . 0 0 "[ . 1 .]" 1
985 1 16 CYS QB 1 22 ARG HA . . 7.290 5.390 4.685 5.818 . 0 0 "[ . 1 .]" 1
986 1 18 LYS H 1 18 LYS QG . . 3.550 2.144 1.926 2.285 . 0 0 "[ . 1 .]" 1
987 1 18 LYS H 1 18 LYS QD . . 5.250 4.128 3.812 4.267 . 0 0 "[ . 1 .]" 1
988 1 18 LYS H 1 18 LYS QE . . 5.250 4.303 3.964 4.637 . 0 0 "[ . 1 .]" 1
989 1 18 LYS H 1 19 CYS QB . . 5.250 4.595 4.525 4.643 . 0 0 "[ . 1 .]" 1
990 1 18 LYS HA 1 18 LYS QB . . 2.580 2.129 2.102 2.179 . 0 0 "[ . 1 .]" 1
991 1 18 LYS QB 1 48 VAL QG . . 7.740 3.921 3.480 4.218 . 0 0 "[ . 1 .]" 1
992 1 18 LYS QG 1 19 CYS H . . 3.550 2.951 2.656 3.256 . 0 0 "[ . 1 .]" 1
993 1 18 LYS QG 1 49 CYS H . . 5.250 4.458 4.157 4.791 . 0 0 "[ . 1 .]" 1
994 1 18 LYS QD 1 48 VAL QG . . 6.360 2.655 2.106 3.439 . 0 0 "[ . 1 .]" 1
995 1 20 ASP H 1 21 GLY QA . . 5.250 4.653 4.552 4.801 . 0 0 "[ . 1 .]" 1
996 1 21 GLY H 1 21 GLY QA . . 2.560 2.304 2.245 2.396 . 0 0 "[ . 1 .]" 1
997 1 21 GLY QA 1 22 ARG QB . . 5.090 3.703 3.582 3.843 . 0 0 "[ . 1 .]" 1
998 1 22 ARG QB 1 23 ILE HA . . 5.250 4.638 4.544 4.671 . 0 0 "[ . 1 .]" 1
999 1 22 ARG QG 1 23 ILE H . . 5.250 3.656 3.138 4.483 . 0 0 "[ . 1 .]" 1
1000 1 22 ARG QG 1 23 ILE HB . . 7.290 5.954 5.460 6.591 . 0 0 "[ . 1 .]" 1
1001 1 22 ARG QD 1 23 ILE H . . 5.250 3.512 2.114 4.133 . 0 0 "[ . 1 .]" 1
1002 1 22 ARG QD 1 24 GLU QG . . 6.490 4.658 3.290 5.178 . 0 0 "[ . 1 .]" 1
1003 1 23 ILE MG 1 25 LEU QD . . 8.520 1.982 1.946 2.045 . 0 0 "[ . 1 .]" 1
1004 1 23 ILE QG 1 24 GLU H . . 5.250 4.502 3.329 4.806 . 0 0 "[ . 1 .]" 1
1005 1 23 ILE QG 1 49 CYS H . . 5.250 4.328 3.882 4.804 . 0 0 "[ . 1 .]" 1
1006 1 23 ILE MD 1 47 PHE QB . . 4.800 2.575 2.101 3.423 . 0 0 "[ . 1 .]" 1
1007 1 23 ILE MD 1 48 VAL QG . . 8.520 4.198 3.771 4.993 . 0 0 "[ . 1 .]" 1
1008 1 24 GLU QB 1 25 LEU HG . . 7.290 5.629 5.267 5.799 . 0 0 "[ . 1 .]" 1
1009 1 24 GLU QG 1 25 LEU QB . . 6.490 5.005 4.427 5.218 . 0 0 "[ . 1 .]" 1
1010 1 25 LEU QB 1 26 THR HA . . 5.250 4.447 3.394 4.602 . 0 0 "[ . 1 .]" 1
1011 1 25 LEU QB 1 27 VAL H . . 5.250 4.250 3.619 4.456 . 0 0 "[ . 1 .]" 1
1012 1 25 LEU QB 1 27 VAL QG . . 5.890 2.272 2.036 2.876 . 0 0 "[ . 1 .]" 1
1013 1 25 LEU QB 1 47 PHE QE . . 9.240 4.431 4.059 5.095 . 0 0 "[ . 1 .]" 1
1014 1 25 LEU QD 1 27 VAL QG . . 8.300 3.068 2.506 3.545 . 0 0 "[ . 1 .]" 1
1015 1 25 LEU QD 1 41 PHE HZ . . 6.610 3.336 2.224 4.386 . 0 0 "[ . 1 .]" 1
1016 1 25 LEU QD 1 47 PHE HZ . . 6.610 3.393 2.574 3.980 . 0 0 "[ . 1 .]" 1
1017 1 26 THR H 1 27 VAL QG . . 6.610 3.788 3.000 4.671 . 0 0 "[ . 1 .]" 1
1018 1 26 THR HA 1 27 VAL QG . . 6.610 3.480 3.140 3.685 . 0 0 "[ . 1 .]" 1
1019 1 27 VAL QG 1 28 GLU H . . 4.800 3.223 3.051 3.502 . 0 0 "[ . 1 .]" 1
1020 1 27 VAL QG 1 28 GLU HA . . 6.610 3.783 3.454 4.425 . 0 0 "[ . 1 .]" 1
1021 1 27 VAL QG 1 29 SER H . . 6.610 3.498 2.885 4.589 . 0 0 "[ . 1 .]" 1
1022 1 27 VAL QG 1 34 LEU QD . . 9.420 3.403 2.335 4.166 . 0 0 "[ . 1 .]" 1
1023 1 27 VAL QG 1 47 PHE QD . . 10.770 5.732 5.179 6.387 . 0 0 "[ . 1 .]" 1
1024 1 27 VAL QG 1 47 PHE QE . . 10.770 4.641 4.090 5.452 . 0 0 "[ . 1 .]" 1
1025 1 28 GLU H 1 28 GLU QB . . 3.410 2.556 2.203 2.748 . 0 0 "[ . 1 .]" 1
1026 1 28 GLU H 1 29 SER QB . . 5.250 4.112 3.154 4.737 . 0 0 "[ . 1 .]" 1
1027 1 28 GLU QB 1 29 SER QB . . 6.490 4.823 4.511 5.217 . 0 0 "[ . 1 .]" 1
1028 1 29 SER QB 1 30 SER H . . 3.550 3.165 2.986 3.329 . 0 0 "[ . 1 .]" 1
1029 1 30 SER QB 1 31 ALA MB . . 6.480 3.814 3.270 4.334 . 0 0 "[ . 1 .]" 1
1030 1 30 SER QB 1 32 GLU H . . 3.550 3.049 2.650 3.307 . 0 0 "[ . 1 .]" 1
1031 1 31 ALA MB 1 34 LEU QD . . 8.520 3.698 3.326 4.228 . 0 0 "[ . 1 .]" 1
1032 1 32 GLU HA 1 32 GLU QG . . 3.420 2.411 2.130 2.749 . 0 0 "[ . 1 .]" 1
1033 1 32 GLU HA 1 35 ARG QG . . 7.290 4.557 4.023 5.141 . 0 0 "[ . 1 .]" 1
1034 1 32 GLU QB 1 34 LEU H . . 5.250 4.659 4.193 4.781 . 0 0 "[ . 1 .]" 1
1035 1 33 ASP QB 1 34 LEU H . . 3.550 2.598 2.393 3.077 . 0 0 "[ . 1 .]" 1
1036 1 34 LEU H 1 37 LEU QD . . 6.610 3.899 3.775 4.097 . 0 0 "[ . 1 .]" 1
1037 1 34 LEU QB 1 37 LEU QD . . 6.360 3.585 3.447 3.731 . 0 0 "[ . 1 .]" 1
1038 1 34 LEU HG 1 37 LEU QB . . 7.290 5.793 3.929 6.305 . 0 0 "[ . 1 .]" 1
1039 1 34 LEU HG 1 38 GLN QB . . 5.250 3.446 3.102 4.186 . 0 0 "[ . 1 .]" 1
1040 1 34 LEU QD 1 35 ARG HA . . 6.610 3.041 2.500 4.399 . 0 0 "[ . 1 .]" 1
1041 1 34 LEU QD 1 37 LEU QB . . 8.260 5.306 4.281 5.683 . 0 0 "[ . 1 .]" 1
1042 1 34 LEU QD 1 37 LEU HG . . 6.610 4.123 2.627 4.549 . 0 0 "[ . 1 .]" 1
1043 1 34 LEU QD 1 38 GLN H . . 6.610 4.317 3.909 4.552 . 0 0 "[ . 1 .]" 1
1044 1 34 LEU QD 1 38 GLN QB . . 7.570 3.334 2.883 3.664 . 0 0 "[ . 1 .]" 1
1045 1 34 LEU QD 1 38 GLN QG . . 7.740 4.079 3.448 4.848 . 0 0 "[ . 1 .]" 1
1046 1 35 ARG H 1 35 ARG QB . . 3.410 2.192 2.046 2.318 . 0 0 "[ . 1 .]" 1
1047 1 35 ARG H 1 37 LEU QD . . 6.610 4.875 4.764 4.944 . 0 0 "[ . 1 .]" 1
1048 1 35 ARG HA 1 38 GLN QE . . 5.250 3.513 2.288 4.448 . 0 0 "[ . 1 .]" 1
1049 1 35 ARG QG 1 36 THR HA . . 7.290 4.070 3.391 5.318 . 0 0 "[ . 1 .]" 1
1050 1 36 THR HA 1 40 LEU QD . . 6.610 4.542 4.105 4.769 . 0 0 "[ . 1 .]" 1
1051 1 36 THR HB 1 37 LEU QB . . 5.250 3.927 3.603 4.804 . 0 0 "[ . 1 .]" 1
1052 1 36 THR HB 1 40 LEU QD . . 6.530 4.453 4.227 4.826 . 0 0 "[ . 1 .]" 1
1053 1 36 THR MG 1 39 GLN QB . . 8.490 4.091 3.658 5.401 . 0 0 "[ . 1 .]" 1
1054 1 37 LEU H 1 38 GLN QB . . 5.250 4.428 4.143 4.557 . 0 0 "[ . 1 .]" 1
1055 1 37 LEU H 1 40 LEU QD . . 6.610 4.385 4.007 4.731 . 0 0 "[ . 1 .]" 1
1056 1 37 LEU HA 1 40 LEU QD . . 8.690 2.424 2.072 2.841 . 0 0 "[ . 1 .]" 1
1057 1 37 LEU HA 1 45 LEU QD . . 8.690 4.682 3.695 6.193 . 0 0 "[ . 1 .]" 1
1058 1 37 LEU QB 1 38 GLN HA . . 7.290 4.704 3.214 5.025 . 0 0 "[ . 1 .]" 1
1059 1 37 LEU QB 1 40 LEU QB . . 7.310 4.049 3.477 5.270 . 0 0 "[ . 1 .]" 1
1060 1 37 LEU QB 1 40 LEU HG . . 7.290 4.652 3.655 5.494 . 0 0 "[ . 1 .]" 1
1061 1 37 LEU QB 1 40 LEU QD . . 7.570 3.248 2.478 4.101 . 0 0 "[ . 1 .]" 1
1062 1 37 LEU QD 1 38 GLN QB . . 6.360 3.573 2.990 4.148 . 0 0 "[ . 1 .]" 1
1063 1 37 LEU QD 1 41 PHE H . . 6.610 4.202 3.907 5.107 . 0 0 "[ . 1 .]" 1
1064 1 37 LEU QD 1 41 PHE QD . . 8.620 2.717 2.108 3.897 . 0 0 "[ . 1 .]" 1
1065 1 37 LEU QD 1 41 PHE QE . . 8.510 2.664 2.229 3.443 . 0 0 "[ . 1 .]" 1
1066 1 37 LEU QD 1 41 PHE HZ . . 8.790 4.054 2.938 4.604 . 0 0 "[ . 1 .]" 1
1067 1 37 LEU QD 1 47 PHE QE . . 10.680 4.776 3.920 5.320 . 0 0 "[ . 1 .]" 1
1068 1 38 GLN H 1 39 GLN QG . . 5.250 4.359 3.883 4.442 . 0 0 "[ . 1 .]" 1
1069 1 38 GLN HA 1 38 GLN QE . . 5.250 3.951 2.867 4.468 . 0 0 "[ . 1 .]" 1
1070 1 38 GLN QB 1 39 GLN QB . . 6.970 4.808 4.090 5.583 . 0 0 "[ . 1 .]" 1
1071 1 38 GLN QB 1 39 GLN QG . . 6.970 4.061 2.967 5.289 . 0 0 "[ . 1 .]" 1
1072 1 38 GLN QG 1 39 GLN QB . . 6.970 4.604 3.083 5.667 . 0 0 "[ . 1 .]" 1
1073 1 38 GLN QG 1 39 GLN QG . . 6.970 3.997 2.427 5.290 . 0 0 "[ . 1 .]" 1
1074 1 39 GLN H 1 39 GLN QE . . 5.530 2.994 2.103 4.305 . 0 0 "[ . 1 .]" 1
1075 1 39 GLN H 1 42 LEU QD . . 6.610 4.564 4.115 4.914 . 0 0 "[ . 1 .]" 1
1076 1 39 GLN HA 1 39 GLN QG . . 3.420 2.858 1.998 3.231 . 0 0 "[ . 1 .]" 1
1077 1 40 LEU QB 1 41 PHE H . . 3.550 2.695 2.428 3.236 . 0 0 "[ . 1 .]" 1
1078 1 40 LEU HG 1 45 LEU QD . . 8.690 4.683 4.353 5.361 . 0 0 "[ . 1 .]" 1
1079 1 40 LEU QD 1 43 SER H . . 6.610 4.852 4.729 5.099 . 0 0 "[ . 1 .]" 1
1080 1 40 LEU QD 1 45 LEU QD . . 7.210 2.618 1.935 3.106 . 0 0 "[ . 1 .]" 1
1081 1 41 PHE H 1 41 PHE QB . . 3.410 2.347 2.212 2.516 . 0 0 "[ . 1 .]" 1
1082 1 41 PHE H 1 42 LEU QB . . 5.250 4.397 4.133 4.479 . 0 0 "[ . 1 .]" 1
1083 1 41 PHE H 1 45 LEU QB . . 5.250 3.592 3.290 3.972 . 0 0 "[ . 1 .]" 1
1084 1 41 PHE H 1 45 LEU QD . . 6.610 4.179 3.335 5.132 . 0 0 "[ . 1 .]" 1
1085 1 41 PHE HA 1 45 LEU QB . . 3.550 2.381 2.125 2.728 . 0 0 "[ . 1 .]" 1
1086 1 41 PHE QB 1 42 LEU HA . . 5.250 4.178 3.968 4.399 . 0 0 "[ . 1 .]" 1
1087 1 41 PHE QD 1 45 LEU QD . . 8.620 3.061 2.442 3.696 . 0 0 "[ . 1 .]" 1
1088 1 42 LEU H 1 42 LEU QB . . 3.400 2.173 2.115 2.261 . 0 0 "[ . 1 .]" 1
1089 1 45 LEU QD 1 46 SER H . . 4.800 2.230 1.843 2.891 . 0 0 "[ . 1 .]" 1
1090 1 45 LEU QD 1 46 SER HA . . 6.610 4.154 3.889 4.693 . 0 0 "[ . 1 .]" 1
1091 1 46 SER H 1 46 SER QB . . 3.410 2.982 2.714 3.187 . 0 0 "[ . 1 .]" 1
1092 1 46 SER QB 1 47 PHE HA . . 5.250 4.418 4.207 4.693 . 0 0 "[ . 1 .]" 1
1093 1 47 PHE H 1 48 VAL QG . . 6.610 4.412 3.569 5.089 . 0 0 "[ . 1 .]" 1
1094 1 47 PHE HA 1 48 VAL QG . . 6.610 3.601 3.170 4.189 . 0 0 "[ . 1 .]" 1
1095 1 47 PHE QB 1 48 VAL HA . . 5.250 4.215 3.909 4.669 . 0 0 "[ . 1 .]" 1
1096 1 47 PHE QB 1 48 VAL QG . . 7.740 4.299 3.818 4.942 . 0 0 "[ . 1 .]" 1
1097 1 48 VAL QG 1 49 CYS H . . 4.880 2.853 2.474 3.593 . 0 0 "[ . 1 .]" 1
1098 1 48 VAL QG 1 52 CYS H . . 6.610 3.983 3.574 5.116 . 0 0 "[ . 1 .]" 1
1099 1 49 CYS QB 1 52 CYS H . . 5.250 3.665 3.442 3.832 . 0 0 "[ . 1 .]" 1
1100 1 49 CYS QB 1 52 CYS QB . . 6.970 4.110 3.950 4.322 . 0 0 "[ . 1 .]" 1
1101 1 50 PRO QB 1 51 TRP HA . . 7.290 4.304 4.210 4.407 . 0 0 "[ . 1 .]" 1
1102 1 50 PRO QB 1 54 THR H . . 5.250 4.682 4.491 4.728 . 0 0 "[ . 1 .]" 1
1103 1 50 PRO QB 1 54 THR MG . . 8.500 5.371 4.350 5.871 . 0 0 "[ . 1 .]" 1
1104 1 51 TRP H 1 51 TRP QB . . 2.710 2.235 2.161 2.269 . 0 0 "[ . 1 .]" 1
1105 1 51 TRP QB 1 53 ALA H . . 5.250 4.652 4.593 4.734 . 0 0 "[ . 1 .]" 1
1106 1 52 CYS HA 1 56 GLN QB . . 7.290 5.664 4.149 6.207 . 0 0 "[ . 1 .]" 1
1107 1 52 CYS HA 1 56 GLN QG . . 7.290 5.891 4.265 6.586 . 0 0 "[ . 1 .]" 1
1108 1 52 CYS QB 1 56 GLN H . . 5.250 4.349 3.913 4.635 . 0 0 "[ . 1 .]" 1
1109 1 55 ASN H 1 55 ASN QB . . 3.410 2.389 2.336 2.494 . 0 0 "[ . 1 .]" 1
1110 1 55 ASN H 1 55 ASN QD . . 5.530 2.163 2.045 2.463 . 0 0 "[ . 1 .]" 1
1111 1 55 ASN QB 1 56 GLN H . . 3.550 2.926 2.461 3.182 . 0 0 "[ . 1 .]" 1
1112 1 56 GLN H 1 56 GLN QB . . 3.410 3.076 2.732 3.217 . 0 0 "[ . 1 .]" 1
1113 1 56 GLN HA 1 56 GLN QG . . 3.420 2.575 2.237 3.230 . 0 0 "[ . 1 .]" 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 51
_Distance_constraint_stats_list.Viol_count 92
_Distance_constraint_stats_list.Viol_total 63.117
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0166
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0457
_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 8 GLN 0.170 0.071 11 0 "[ . 1 .]"
1 10 HIS 0.216 0.081 13 0 "[ . 1 .]"
1 12 ILE 0.049 0.032 11 0 "[ . 1 .]"
1 14 CYS 0.133 0.076 12 0 "[ . 1 .]"
1 16 CYS 0.077 0.052 11 0 "[ . 1 .]"
1 19 CYS 0.176 0.059 9 0 "[ . 1 .]"
1 21 GLY 0.077 0.052 11 0 "[ . 1 .]"
1 23 ILE 0.133 0.076 12 0 "[ . 1 .]"
1 25 LEU 0.049 0.032 11 0 "[ . 1 .]"
1 27 VAL 0.216 0.081 13 0 "[ . 1 .]"
1 29 SER 0.170 0.071 11 0 "[ . 1 .]"
1 31 ALA 0.062 0.062 6 0 "[ . 1 .]"
1 32 GLU 0.050 0.036 11 0 "[ . 1 .]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 34 LEU 0.223 0.067 12 0 "[ . 1 .]"
1 35 ARG 0.422 0.071 8 0 "[ . 1 .]"
1 36 THR 1.152 0.083 4 0 "[ . 1 .]"
1 37 LEU 0.409 0.063 14 0 "[ . 1 .]"
1 38 GLN 0.368 0.089 7 0 "[ . 1 .]"
1 39 GLN 0.361 0.071 8 0 "[ . 1 .]"
1 40 LEU 1.102 0.083 4 0 "[ . 1 .]"
1 41 PHE 0.409 0.063 14 0 "[ . 1 .]"
1 42 LEU 0.144 0.089 7 0 "[ . 1 .]"
1 43 SER 0.000 0.000 . 0 "[ . 1 .]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 49 CYS 0.176 0.059 9 0 "[ . 1 .]"
1 50 PRO 0.492 0.060 7 0 "[ . 1 .]"
1 51 TRP 0.210 0.069 6 0 "[ . 1 .]"
1 52 CYS 0.334 0.082 12 0 "[ . 1 .]"
1 54 THR 0.492 0.060 7 0 "[ . 1 .]"
1 55 ASN 0.210 0.069 6 0 "[ . 1 .]"
1 56 GLN 0.334 0.082 12 0 "[ . 1 .]"
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 10 HIS H 1 27 VAL O . . 2.000 1.839 1.776 2.081 0.081 13 0 "[ . 1 .]" 2
2 1 12 ILE H 1 25 LEU O . . 2.000 1.867 1.787 2.032 0.032 11 0 "[ . 1 .]" 2
3 1 14 CYS H 1 23 ILE O . . 2.000 1.851 1.758 2.076 0.076 12 0 "[ . 1 .]" 2
4 1 16 CYS H 1 21 GLY O . . 2.000 1.819 1.728 2.052 0.052 11 0 "[ . 1 .]" 2
5 1 8 GLN O 1 29 SER H . . 2.000 1.916 1.804 2.071 0.071 11 0 "[ . 1 .]" 2
6 1 10 HIS O 1 27 VAL H . . 2.000 1.903 1.794 2.065 0.065 12 0 "[ . 1 .]" 2
7 1 12 ILE O 1 25 LEU H . . 2.000 1.857 1.703 2.016 0.016 1 0 "[ . 1 .]" 2
8 1 14 CYS O 1 23 ILE H . . 2.000 1.849 1.746 2.057 0.057 14 0 "[ . 1 .]" 2
9 1 10 HIS N 1 27 VAL O . . 3.000 2.811 2.718 2.993 . 0 0 "[ . 1 .]" 2
10 1 12 ILE N 1 25 LEU O . . 3.000 2.848 2.779 2.914 . 0 0 "[ . 1 .]" 2
11 1 14 CYS N 1 23 ILE O . . 3.000 2.784 2.695 2.834 . 0 0 "[ . 1 .]" 2
12 1 16 CYS N 1 21 GLY O . . 3.000 2.797 2.706 3.025 0.025 11 0 "[ . 1 .]" 2
13 1 8 GLN O 1 29 SER N . . 3.000 2.855 2.744 3.046 0.046 11 0 "[ . 1 .]" 2
14 1 10 HIS O 1 27 VAL N . . 3.000 2.860 2.774 2.982 . 0 0 "[ . 1 .]" 2
15 1 12 ILE O 1 25 LEU N . . 3.000 2.803 2.706 2.911 . 0 0 "[ . 1 .]" 2
16 1 14 CYS O 1 23 ILE N . . 3.000 2.842 2.762 2.980 . 0 0 "[ . 1 .]" 2
17 1 31 ALA O 1 35 ARG H . . 2.000 1.847 1.734 2.062 0.062 6 0 "[ . 1 .]" 2
18 1 31 ALA O 1 35 ARG N . . 3.000 2.789 2.718 2.934 . 0 0 "[ . 1 .]" 2
19 1 32 GLU O 1 36 THR H . . 2.000 1.888 1.736 2.036 0.036 11 0 "[ . 1 .]" 2
20 1 32 GLU O 1 36 THR N . . 3.000 2.871 2.743 3.014 0.014 11 0 "[ . 1 .]" 2
21 1 33 ASP O 1 37 LEU H . . 2.000 1.773 1.716 1.880 . 0 0 "[ . 1 .]" 2
22 1 33 ASP O 1 37 LEU N . . 3.000 2.772 2.730 2.879 . 0 0 "[ . 1 .]" 2
23 1 34 LEU O 1 38 GLN H . . 2.000 1.968 1.846 2.067 0.067 12 0 "[ . 1 .]" 2
24 1 34 LEU O 1 38 GLN N . . 3.000 2.881 2.774 3.014 0.014 12 0 "[ . 1 .]" 2
25 1 35 ARG O 1 39 GLN H . . 2.000 1.990 1.851 2.071 0.071 8 0 "[ . 1 .]" 2
26 1 35 ARG O 1 39 GLN N . . 3.000 2.924 2.756 3.046 0.046 8 0 "[ . 1 .]" 2
27 1 36 THR O 1 40 LEU H . . 2.000 2.022 1.872 2.083 0.083 4 0 "[ . 1 .]" 2
28 1 36 THR O 1 40 LEU N . . 3.000 3.000 2.839 3.074 0.074 4 0 "[ . 1 .]" 2
29 1 37 LEU O 1 41 PHE H . . 2.000 1.943 1.750 2.063 0.063 14 0 "[ . 1 .]" 2
30 1 37 LEU O 1 41 PHE N . . 3.000 2.938 2.778 3.063 0.063 14 0 "[ . 1 .]" 2
31 1 38 GLN O 1 42 LEU H . . 2.000 1.877 1.789 2.089 0.089 7 0 "[ . 1 .]" 2
32 1 38 GLN O 1 42 LEU N . . 3.000 2.779 2.665 2.861 . 0 0 "[ . 1 .]" 2
33 1 39 GLN O 1 43 SER H . . 2.000 1.867 1.807 1.953 . 0 0 "[ . 1 .]" 2
34 1 39 GLN O 1 43 SER N . . 3.000 2.777 2.741 2.802 . 0 0 "[ . 1 .]" 2
35 1 50 PRO O 1 54 THR H . . 2.000 2.012 1.867 2.060 0.060 7 0 "[ . 1 .]" 2
36 1 50 PRO O 1 54 THR N . . 3.000 2.901 2.837 2.971 . 0 0 "[ . 1 .]" 2
37 1 51 TRP O 1 55 ASN H . . 2.000 1.904 1.809 2.069 0.069 6 0 "[ . 1 .]" 2
38 1 51 TRP O 1 55 ASN N . . 3.000 2.849 2.795 2.933 . 0 0 "[ . 1 .]" 2
39 1 52 CYS O 1 56 GLN H . . 2.000 1.976 1.806 2.082 0.082 12 0 "[ . 1 .]" 2
40 1 52 CYS O 1 56 GLN N . . 3.000 2.806 2.746 2.881 . 0 0 "[ . 1 .]" 2
41 1 16 CYS SG 1 19 CYS SG . . 3.850 3.403 3.350 3.493 . 0 0 "[ . 1 .]" 2
42 1 16 CYS SG 1 49 CYS SG . . 3.850 3.439 3.359 3.497 . 0 0 "[ . 1 .]" 2
43 1 16 CYS SG 1 52 CYS SG . . 3.850 3.444 3.358 3.539 . 0 0 "[ . 1 .]" 2
44 1 19 CYS SG 1 49 CYS SG . . 3.850 3.704 3.479 3.909 0.059 9 0 "[ . 1 .]" 2
45 1 19 CYS SG 1 52 CYS SG . . 3.850 3.397 3.286 3.507 . 0 0 "[ . 1 .]" 2
46 1 49 CYS SG 1 52 CYS SG . . 3.850 3.506 3.401 3.707 . 0 0 "[ . 1 .]" 2
47 1 41 PHE QD 1 47 PHE QD . . 6.000 4.263 3.469 4.959 . 0 0 "[ . 1 .]" 2
48 1 41 PHE QE 1 47 PHE QD . . 6.000 2.823 2.355 3.343 . 0 0 "[ . 1 .]" 2
49 1 41 PHE HZ 1 47 PHE QD . . 6.000 2.897 2.512 3.578 . 0 0 "[ . 1 .]" 2
50 1 41 PHE QE 1 47 PHE QE . . 6.000 3.679 3.327 3.973 . 0 0 "[ . 1 .]" 2
51 1 41 PHE HZ 1 47 PHE QE . . 6.000 3.030 2.313 3.610 . 0 0 "[ . 1 .]" 2
stop_
save_
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