NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444661 |
2ki9   |
16268 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ki9
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 688
_Distance_constraint_stats_list.Viol_count 423
_Distance_constraint_stats_list.Viol_total 302.582
_Distance_constraint_stats_list.Viol_max 0.276
_Distance_constraint_stats_list.Viol_rms 0.0120
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0477
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASP 0.767 0.184 9 0 "[ . 1 .]"
1 2 VAL 1.320 0.276 15 0 "[ . 1 .]"
1 3 ARG 1.477 0.276 15 0 "[ . 1 .]"
1 4 LEU 1.083 0.184 9 0 "[ . 1 .]"
1 5 ALA 0.214 0.055 1 0 "[ . 1 .]"
1 6 LYS 3.997 0.157 5 0 "[ . 1 .]"
1 7 THR 1.499 0.151 9 0 "[ . 1 .]"
1 8 LEU 2.438 0.151 9 0 "[ . 1 .]"
1 9 GLY 1.453 0.157 5 0 "[ . 1 .]"
1 10 LEU 0.498 0.084 8 0 "[ . 1 .]"
1 11 VAL 0.044 0.029 6 0 "[ . 1 .]"
1 12 LEU 0.275 0.063 8 0 "[ . 1 .]"
1 13 ALA 0.065 0.040 11 0 "[ . 1 .]"
1 14 VAL 1.068 0.089 13 0 "[ . 1 .]"
1 15 LEU 4.125 0.137 14 0 "[ . 1 .]"
1 16 LEU 0.566 0.074 7 0 "[ . 1 .]"
1 17 ILE 1.162 0.074 7 0 "[ . 1 .]"
1 18 CYS 1.500 0.091 1 0 "[ . 1 .]"
1 19 TRP 3.311 0.137 14 0 "[ . 1 .]"
1 20 PHE 0.956 0.063 13 0 "[ . 1 .]"
1 21 PRO 0.740 0.063 13 0 "[ . 1 .]"
1 22 VAL 3.324 0.160 7 0 "[ . 1 .]"
1 23 LEU 1.036 0.089 2 0 "[ . 1 .]"
1 24 ALA 0.145 0.053 6 0 "[ . 1 .]"
1 25 LEU 0.494 0.077 13 0 "[ . 1 .]"
1 26 MET 1.954 0.117 3 0 "[ . 1 .]"
1 27 ALA 0.111 0.066 14 0 "[ . 1 .]"
1 28 HIS 0.836 0.107 2 0 "[ . 1 .]"
1 29 SER 1.701 0.160 7 0 "[ . 1 .]"
1 30 LEU 0.319 0.071 13 0 "[ . 1 .]"
1 31 ALA 0.199 0.055 10 0 "[ . 1 .]"
1 32 THR 0.006 0.006 15 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 1 ASP HA 1 2 VAL H 4.000 . 6.500 2.601 2.207 3.334 . 0 0 "[ . 1 .]" 1
2 1 1 ASP HA 1 2 VAL HB 4.000 . 6.500 5.559 4.695 6.382 . 0 0 "[ . 1 .]" 1
3 1 1 ASP HA 1 2 VAL MG1 4.000 . 6.500 4.196 3.345 5.425 . 0 0 "[ . 1 .]" 1
4 1 1 ASP HA 1 2 VAL MG2 4.000 . 6.500 4.590 3.432 5.819 . 0 0 "[ . 1 .]" 1
5 1 1 ASP HA 1 3 ARG H 4.000 . 6.500 4.174 2.993 5.468 . 0 0 "[ . 1 .]" 1
6 1 1 ASP HA 1 4 LEU H 4.000 . 6.500 5.837 3.479 6.684 0.184 9 0 "[ . 1 .]" 1
7 1 1 ASP HA 1 4 LEU MD1 4.000 . 6.500 5.840 4.869 6.571 0.071 12 0 "[ . 1 .]" 1
8 1 1 ASP HA 1 8 LEU MD1 4.000 . 6.500 4.092 2.743 5.519 . 0 0 "[ . 1 .]" 1
9 1 1 ASP HB2 1 2 VAL H 4.000 . 6.500 3.092 1.779 4.433 . 0 0 "[ . 1 .]" 1
10 1 1 ASP HB2 1 2 VAL HB 4.000 . 6.500 5.693 4.594 6.486 . 0 0 "[ . 1 .]" 1
11 1 1 ASP HB2 1 2 VAL MG1 4.000 . 6.500 4.786 2.875 5.899 . 0 0 "[ . 1 .]" 1
12 1 1 ASP HB2 1 2 VAL MG2 4.000 . 6.500 4.387 2.559 6.368 . 0 0 "[ . 1 .]" 1
13 1 1 ASP HB2 1 3 ARG H 4.000 . 6.500 3.226 2.123 4.736 . 0 0 "[ . 1 .]" 1
14 1 1 ASP HB2 1 4 LEU H 4.000 . 6.500 3.840 1.941 5.305 . 0 0 "[ . 1 .]" 1
15 1 1 ASP HB3 1 2 VAL H 4.000 . 6.500 2.876 1.948 3.768 . 0 0 "[ . 1 .]" 1
16 1 1 ASP HB3 1 3 ARG H 4.000 . 6.500 3.482 2.627 5.881 . 0 0 "[ . 1 .]" 1
17 1 1 ASP HB3 1 3 ARG HG3 4.000 . 6.500 5.833 2.298 6.583 0.083 5 0 "[ . 1 .]" 1
18 1 1 ASP HB3 1 4 LEU H 4.000 . 6.500 4.550 2.095 6.508 0.008 9 0 "[ . 1 .]" 1
19 1 1 ASP HB3 1 4 LEU MD1 4.000 . 6.500 4.928 3.216 6.512 0.012 15 0 "[ . 1 .]" 1
20 1 1 ASP HB3 1 8 LEU MD1 4.000 . 6.500 3.221 1.972 5.950 . 0 0 "[ . 1 .]" 1
21 1 2 VAL H 1 2 VAL HB 4.000 . 6.500 3.223 2.486 3.633 . 0 0 "[ . 1 .]" 1
22 1 2 VAL H 1 2 VAL MG1 4.000 . 6.500 2.446 1.922 3.892 . 0 0 "[ . 1 .]" 1
23 1 2 VAL H 1 2 VAL MG2 4.000 . 6.500 2.659 1.738 3.838 . 0 0 "[ . 1 .]" 1
24 1 2 VAL H 1 3 ARG H 4.000 . 6.500 2.387 1.770 3.317 . 0 0 "[ . 1 .]" 1
25 1 2 VAL H 1 3 ARG HA 4.000 . 6.500 4.992 4.211 5.516 . 0 0 "[ . 1 .]" 1
26 1 2 VAL H 1 3 ARG HB2 4.000 . 6.500 5.299 4.377 6.308 . 0 0 "[ . 1 .]" 1
27 1 2 VAL H 1 3 ARG HB3 4.000 . 6.500 5.846 4.548 6.569 0.069 7 0 "[ . 1 .]" 1
28 1 2 VAL H 1 3 ARG HG2 4.000 . 6.500 5.280 3.007 6.670 0.170 2 0 "[ . 1 .]" 1
29 1 2 VAL H 1 4 LEU H 4.000 . 6.500 5.016 3.345 6.272 . 0 0 "[ . 1 .]" 1
30 1 2 VAL H 1 5 ALA H 4.000 . 6.500 5.993 4.704 6.555 0.055 1 0 "[ . 1 .]" 1
31 1 2 VAL HB 1 3 ARG H 4.000 . 6.500 3.619 2.774 4.311 . 0 0 "[ . 1 .]" 1
32 1 2 VAL HB 1 3 ARG HA 4.000 . 6.500 5.246 4.458 6.205 . 0 0 "[ . 1 .]" 1
33 1 2 VAL HB 1 3 ARG HB3 4.000 . 6.500 5.857 4.161 6.776 0.276 15 0 "[ . 1 .]" 1
34 1 2 VAL HB 1 8 LEU HG 4.000 . 6.500 6.239 4.675 6.561 0.061 5 0 "[ . 1 .]" 1
35 1 2 VAL MG1 1 3 ARG HG3 4.000 . 6.500 4.428 1.999 6.011 . 0 0 "[ . 1 .]" 1
36 1 2 VAL MG1 1 8 LEU HG 4.000 . 6.500 5.083 3.032 6.533 0.033 8 0 "[ . 1 .]" 1
37 1 2 VAL MG2 1 3 ARG H 4.000 . 6.500 2.635 1.811 4.251 . 0 0 "[ . 1 .]" 1
38 1 2 VAL MG2 1 3 ARG HA 4.000 . 6.500 4.211 3.307 5.365 . 0 0 "[ . 1 .]" 1
39 1 2 VAL MG2 1 3 ARG HG2 4.000 . 6.500 3.573 2.077 5.789 . 0 0 "[ . 1 .]" 1
40 1 2 VAL MG2 1 3 ARG HE 4.000 . 6.500 4.282 3.152 5.668 . 0 0 "[ . 1 .]" 1
41 1 2 VAL MG2 1 4 LEU H 4.000 . 6.500 5.024 3.580 6.249 . 0 0 "[ . 1 .]" 1
42 1 3 ARG H 1 3 ARG HB2 4.000 . 6.500 3.121 2.620 3.816 . 0 0 "[ . 1 .]" 1
43 1 3 ARG H 1 3 ARG HG2 4.000 . 6.500 3.409 1.848 5.319 . 0 0 "[ . 1 .]" 1
44 1 3 ARG H 1 3 ARG HG3 4.000 . 6.500 3.209 1.789 4.827 . 0 0 "[ . 1 .]" 1
45 1 3 ARG H 1 3 ARG HD2 4.000 . 6.500 5.042 3.946 6.007 . 0 0 "[ . 1 .]" 1
46 1 3 ARG H 1 3 ARG HD3 4.000 . 6.500 5.038 4.211 6.267 . 0 0 "[ . 1 .]" 1
47 1 3 ARG H 1 3 ARG HE 4.000 . 6.500 5.077 3.829 5.846 . 0 0 "[ . 1 .]" 1
48 1 3 ARG H 1 4 LEU H 4.000 . 6.500 3.277 2.266 4.380 . 0 0 "[ . 1 .]" 1
49 1 3 ARG H 1 4 LEU HA 4.000 . 6.500 4.466 3.828 4.999 . 0 0 "[ . 1 .]" 1
50 1 3 ARG H 1 5 ALA H 4.000 . 6.500 5.446 4.900 6.228 . 0 0 "[ . 1 .]" 1
51 1 3 ARG H 1 8 LEU HG 4.000 . 6.500 4.059 3.177 5.301 . 0 0 "[ . 1 .]" 1
52 1 3 ARG HA 1 8 LEU HG 4.000 . 6.500 5.682 4.596 6.578 0.078 12 0 "[ . 1 .]" 1
53 1 3 ARG HB2 1 3 ARG HD2 4.000 . 6.500 3.165 2.539 4.098 . 0 0 "[ . 1 .]" 1
54 1 3 ARG HB2 1 3 ARG HD3 4.000 . 6.500 3.176 2.276 3.804 . 0 0 "[ . 1 .]" 1
55 1 3 ARG HB2 1 3 ARG HE 4.000 . 6.500 3.792 1.721 5.107 . 0 0 "[ . 1 .]" 1
56 1 3 ARG HB2 1 8 LEU HG 4.000 . 6.500 3.641 2.136 4.903 . 0 0 "[ . 1 .]" 1
57 1 3 ARG HB2 1 8 LEU MD2 4.000 . 6.500 4.133 2.722 5.423 . 0 0 "[ . 1 .]" 1
58 1 3 ARG HB3 1 3 ARG HD2 4.000 . 6.500 3.201 2.270 4.222 . 0 0 "[ . 1 .]" 1
59 1 3 ARG HB3 1 3 ARG HD3 4.000 . 6.500 2.887 1.957 3.921 . 0 0 "[ . 1 .]" 1
60 1 3 ARG HB3 1 3 ARG HE 4.000 . 6.500 3.896 2.349 4.735 . 0 0 "[ . 1 .]" 1
61 1 3 ARG HB3 1 7 THR H 4.000 . 6.500 5.486 4.402 6.631 0.131 1 0 "[ . 1 .]" 1
62 1 3 ARG HE 1 3 ARG HG2 4.000 . 6.500 3.121 2.349 4.029 . 0 0 "[ . 1 .]" 1
63 1 3 ARG HE 1 3 ARG HG3 4.000 . 6.500 3.181 2.097 4.019 . 0 0 "[ . 1 .]" 1
64 1 3 ARG HG3 1 7 THR HB 4.000 . 6.500 3.984 2.130 5.993 . 0 0 "[ . 1 .]" 1
65 1 3 ARG HG3 1 7 THR MG 4.000 . 6.500 4.377 2.710 5.768 . 0 0 "[ . 1 .]" 1
66 1 3 ARG HD2 1 7 THR HB 4.000 . 6.500 3.606 1.977 5.634 . 0 0 "[ . 1 .]" 1
67 1 3 ARG HD3 1 7 THR HB 4.000 . 6.500 4.014 2.748 5.194 . 0 0 "[ . 1 .]" 1
68 1 3 ARG HD3 1 7 THR MG 4.000 . 6.500 3.793 2.089 4.671 . 0 0 "[ . 1 .]" 1
69 1 3 ARG HD3 1 8 LEU MD2 4.000 . 6.500 4.784 3.244 5.967 . 0 0 "[ . 1 .]" 1
70 1 3 ARG HE 1 7 THR HB 4.000 . 6.500 4.624 2.193 6.504 0.004 6 0 "[ . 1 .]" 1
71 1 3 ARG HE 1 11 VAL MG2 4.000 . 6.500 5.286 3.751 6.480 . 0 0 "[ . 1 .]" 1
72 1 4 LEU H 1 4 LEU HB2 4.000 . 6.500 2.917 2.174 3.569 . 0 0 "[ . 1 .]" 1
73 1 4 LEU H 1 4 LEU MD1 4.000 . 6.500 3.192 1.748 4.354 . 0 0 "[ . 1 .]" 1
74 1 4 LEU H 1 5 ALA H 4.000 . 6.500 4.179 3.076 4.621 . 0 0 "[ . 1 .]" 1
75 1 4 LEU H 1 6 LYS H 4.000 . 6.500 5.052 3.913 5.835 . 0 0 "[ . 1 .]" 1
76 1 4 LEU H 1 6 LYS HB2 4.000 . 6.500 6.270 5.813 6.633 0.133 4 0 "[ . 1 .]" 1
77 1 4 LEU H 1 7 THR HB 4.000 . 6.500 4.091 3.163 5.554 . 0 0 "[ . 1 .]" 1
78 1 4 LEU H 1 8 LEU HB2 4.000 . 6.500 5.539 4.240 6.516 0.016 7 0 "[ . 1 .]" 1
79 1 4 LEU H 1 8 LEU HG 4.000 . 6.500 4.251 3.134 5.649 . 0 0 "[ . 1 .]" 1
80 1 4 LEU H 1 8 LEU MD1 4.000 . 6.500 4.319 2.834 5.473 . 0 0 "[ . 1 .]" 1
81 1 4 LEU HA 1 5 ALA H 4.000 . 6.500 2.362 2.167 3.492 . 0 0 "[ . 1 .]" 1
82 1 4 LEU HA 1 7 THR H 4.000 . 6.500 4.740 4.410 6.113 . 0 0 "[ . 1 .]" 1
83 1 4 LEU HB2 1 7 THR HA 4.000 . 6.500 5.566 4.594 6.593 0.093 11 0 "[ . 1 .]" 1
84 1 4 LEU MD1 1 5 ALA H 4.000 . 6.500 3.707 2.052 5.126 . 0 0 "[ . 1 .]" 1
85 1 5 ALA H 1 6 LYS H 4.000 . 6.500 2.812 1.996 3.104 . 0 0 "[ . 1 .]" 1
86 1 5 ALA H 1 6 LYS HB3 4.000 . 6.500 5.652 4.490 6.412 . 0 0 "[ . 1 .]" 1
87 1 5 ALA H 1 7 THR H 4.000 . 6.500 4.409 2.779 4.885 . 0 0 "[ . 1 .]" 1
88 1 5 ALA H 1 8 LEU H 4.000 . 6.500 4.810 3.406 5.332 . 0 0 "[ . 1 .]" 1
89 1 5 ALA H 1 8 LEU HB2 4.000 . 6.500 4.949 4.432 6.414 . 0 0 "[ . 1 .]" 1
90 1 5 ALA H 1 8 LEU HG 4.000 . 6.500 5.320 3.129 6.504 0.004 1 0 "[ . 1 .]" 1
91 1 5 ALA H 1 8 LEU MD1 4.000 . 6.500 4.256 3.375 6.548 0.048 1 0 "[ . 1 .]" 1
92 1 5 ALA HA 1 8 LEU HG 4.000 . 6.500 3.896 2.452 5.981 . 0 0 "[ . 1 .]" 1
93 1 5 ALA HA 1 8 LEU MD1 4.000 . 6.500 2.800 2.133 5.555 . 0 0 "[ . 1 .]" 1
94 1 5 ALA MB 1 6 LYS HB3 4.000 . 6.500 5.229 4.850 5.513 . 0 0 "[ . 1 .]" 1
95 1 5 ALA MB 1 8 LEU H 4.000 . 6.500 4.699 4.083 6.042 . 0 0 "[ . 1 .]" 1
96 1 5 ALA MB 1 9 GLY H 4.000 . 6.500 4.029 3.561 5.245 . 0 0 "[ . 1 .]" 1
97 1 6 LYS H 1 6 LYS HB2 4.000 . 6.500 2.220 2.035 2.765 . 0 0 "[ . 1 .]" 1
98 1 6 LYS H 1 6 LYS HE3 4.000 . 6.500 5.804 4.890 6.568 0.068 10 0 "[ . 1 .]" 1
99 1 6 LYS H 1 6 LYS HE2 4.000 . 6.500 6.137 5.031 6.633 0.133 11 0 "[ . 1 .]" 1
100 1 6 LYS H 1 7 THR H 4.000 . 6.500 2.752 2.129 3.229 . 0 0 "[ . 1 .]" 1
101 1 6 LYS H 1 7 THR HA 4.000 . 6.500 5.363 4.679 5.690 . 0 0 "[ . 1 .]" 1
102 1 6 LYS H 1 7 THR HB 4.000 . 6.500 5.754 4.945 6.234 . 0 0 "[ . 1 .]" 1
103 1 6 LYS H 1 8 LEU HB3 4.000 . 6.500 6.499 5.871 6.630 0.130 10 0 "[ . 1 .]" 1
104 1 6 LYS H 1 8 LEU HG 4.000 . 6.500 5.687 4.137 6.517 0.017 7 0 "[ . 1 .]" 1
105 1 6 LYS H 1 9 GLY H 4.000 . 6.500 4.176 3.327 4.436 . 0 0 "[ . 1 .]" 1
106 1 6 LYS H 1 9 GLY HA2 4.000 . 6.500 6.529 5.752 6.657 0.157 5 0 "[ . 1 .]" 1
107 1 6 LYS HA 1 6 LYS HD3 4.000 . 6.500 3.064 2.122 4.212 . 0 0 "[ . 1 .]" 1
108 1 6 LYS HA 1 6 LYS HE3 4.000 . 6.500 3.587 2.504 4.508 . 0 0 "[ . 1 .]" 1
109 1 6 LYS HA 1 6 LYS HE2 4.000 . 6.500 3.909 2.396 4.990 . 0 0 "[ . 1 .]" 1
110 1 6 LYS HA 1 7 THR H 4.000 . 6.500 3.570 3.508 3.603 . 0 0 "[ . 1 .]" 1
111 1 6 LYS HA 1 9 GLY H 4.000 . 6.500 3.367 2.969 3.711 . 0 0 "[ . 1 .]" 1
112 1 6 LYS HA 1 9 GLY HA3 4.000 . 6.500 3.323 2.913 3.770 . 0 0 "[ . 1 .]" 1
113 1 6 LYS HA 1 10 LEU H 4.000 . 6.500 3.726 3.023 4.874 . 0 0 "[ . 1 .]" 1
114 1 6 LYS HB2 1 7 THR H 4.000 . 6.500 3.123 2.669 3.546 . 0 0 "[ . 1 .]" 1
115 1 6 LYS HB2 1 7 THR HA 4.000 . 6.500 5.238 4.658 5.620 . 0 0 "[ . 1 .]" 1
116 1 6 LYS HB3 1 6 LYS HE3 4.000 . 6.500 4.182 2.021 5.521 . 0 0 "[ . 1 .]" 1
117 1 6 LYS HB3 1 6 LYS HE2 4.000 . 6.500 4.142 2.463 4.732 . 0 0 "[ . 1 .]" 1
118 1 6 LYS HB3 1 7 THR HB 4.000 . 6.500 5.552 4.755 6.053 . 0 0 "[ . 1 .]" 1
119 1 6 LYS HB3 1 7 THR MG 4.000 . 6.500 4.190 3.014 4.956 . 0 0 "[ . 1 .]" 1
120 1 6 LYS HB3 1 9 GLY HA3 4.000 . 6.500 5.880 5.312 6.504 0.004 10 0 "[ . 1 .]" 1
121 1 6 LYS HG3 1 7 THR H 4.000 . 6.500 4.759 3.465 5.355 . 0 0 "[ . 1 .]" 1
122 1 6 LYS HD2 1 6 LYS HE2 4.000 2.650 6.500 2.697 2.535 3.034 0.115 13 0 "[ . 1 .]" 1
123 1 6 LYS HD3 1 6 LYS HE3 4.000 2.650 6.500 2.694 2.528 3.028 0.122 13 0 "[ . 1 .]" 1
124 1 6 LYS HD3 1 7 THR H 4.000 . 6.500 4.815 3.336 6.439 . 0 0 "[ . 1 .]" 1
125 1 6 LYS HD3 1 9 GLY H 4.000 . 6.500 5.871 4.915 6.501 0.001 15 0 "[ . 1 .]" 1
126 1 6 LYS HD3 1 10 LEU H 4.000 . 6.500 5.118 3.734 6.125 . 0 0 "[ . 1 .]" 1
127 1 6 LYS HE3 1 10 LEU H 4.000 . 6.500 5.247 4.034 6.293 . 0 0 "[ . 1 .]" 1
128 1 6 LYS HE2 1 10 LEU H 4.000 . 6.500 5.198 3.912 5.929 . 0 0 "[ . 1 .]" 1
129 1 6 LYS HE3 1 10 LEU HB2 4.000 . 6.500 5.888 4.759 6.535 0.035 11 0 "[ . 1 .]" 1
130 1 6 LYS HE2 1 10 LEU HB2 4.000 . 6.500 5.565 4.330 6.495 . 0 0 "[ . 1 .]" 1
131 1 7 THR H 1 7 THR HB 4.000 . 6.500 3.308 2.988 3.628 . 0 0 "[ . 1 .]" 1
132 1 7 THR H 1 8 LEU H 4.000 . 6.500 2.780 2.423 3.072 . 0 0 "[ . 1 .]" 1
133 1 7 THR H 1 8 LEU HB2 4.000 . 6.500 4.840 4.291 6.522 0.022 11 0 "[ . 1 .]" 1
134 1 7 THR H 1 8 LEU HB3 4.000 . 6.500 6.139 5.671 6.508 0.008 1 0 "[ . 1 .]" 1
135 1 7 THR H 1 8 LEU HG 4.000 . 6.500 4.709 3.921 5.524 . 0 0 "[ . 1 .]" 1
136 1 7 THR H 1 9 GLY H 4.000 . 6.500 4.029 3.647 4.368 . 0 0 "[ . 1 .]" 1
137 1 7 THR HA 1 8 LEU H 4.000 . 6.500 3.500 3.174 3.585 . 0 0 "[ . 1 .]" 1
138 1 7 THR HA 1 8 LEU HB2 4.000 . 6.500 5.771 5.305 6.614 0.114 11 0 "[ . 1 .]" 1
139 1 7 THR HA 1 8 LEU HG 4.000 . 6.500 5.379 4.782 5.783 . 0 0 "[ . 1 .]" 1
140 1 7 THR HA 1 9 GLY H 4.000 . 6.500 4.594 4.137 4.909 . 0 0 "[ . 1 .]" 1
141 1 7 THR HA 1 10 LEU HB2 4.000 . 6.500 2.995 2.166 4.107 . 0 0 "[ . 1 .]" 1
142 1 7 THR HA 1 10 LEU MD1 4.000 . 6.500 3.217 2.232 4.924 . 0 0 "[ . 1 .]" 1
143 1 7 THR HA 1 11 VAL MG2 4.000 . 6.500 3.922 3.361 5.325 . 0 0 "[ . 1 .]" 1
144 1 7 THR HB 1 8 LEU HB3 4.000 . 6.500 5.704 4.242 6.521 0.021 13 0 "[ . 1 .]" 1
145 1 7 THR HB 1 10 LEU H 4.000 . 6.500 5.564 5.099 6.477 . 0 0 "[ . 1 .]" 1
146 1 7 THR HB 1 11 VAL H 4.000 . 6.500 5.377 4.828 6.400 . 0 0 "[ . 1 .]" 1
147 1 7 THR HB 1 11 VAL MG2 4.000 . 6.500 3.919 3.337 4.835 . 0 0 "[ . 1 .]" 1
148 1 7 THR MG 1 8 LEU HB3 4.000 . 6.500 6.501 5.567 6.651 0.151 9 0 "[ . 1 .]" 1
149 1 7 THR MG 1 9 GLY H 4.000 . 6.500 5.551 5.289 5.965 . 0 0 "[ . 1 .]" 1
150 1 7 THR MG 1 10 LEU H 4.000 . 6.500 5.173 4.598 5.881 . 0 0 "[ . 1 .]" 1
151 1 7 THR MG 1 10 LEU MD1 4.000 . 6.500 4.102 3.002 5.790 . 0 0 "[ . 1 .]" 1
152 1 7 THR MG 1 11 VAL H 4.000 . 6.500 5.120 4.254 5.845 . 0 0 "[ . 1 .]" 1
153 1 7 THR MG 1 11 VAL MG2 4.000 . 6.500 3.924 3.222 4.979 . 0 0 "[ . 1 .]" 1
154 1 8 LEU H 1 8 LEU HG 4.000 . 6.500 2.480 1.913 3.967 . 0 0 "[ . 1 .]" 1
155 1 8 LEU H 1 8 LEU MD2 4.000 . 6.500 3.568 2.815 4.370 . 0 0 "[ . 1 .]" 1
156 1 8 LEU H 1 9 GLY H 4.000 . 6.500 2.538 1.859 2.820 . 0 0 "[ . 1 .]" 1
157 1 8 LEU H 1 9 GLY HA3 4.000 . 6.500 4.795 4.068 5.062 . 0 0 "[ . 1 .]" 1
158 1 8 LEU H 1 9 GLY HA2 4.000 . 6.500 5.191 4.593 5.445 . 0 0 "[ . 1 .]" 1
159 1 8 LEU H 1 10 LEU H 4.000 . 6.500 4.049 3.158 4.710 . 0 0 "[ . 1 .]" 1
160 1 8 LEU H 1 10 LEU MD1 4.000 . 6.500 5.363 4.334 5.819 . 0 0 "[ . 1 .]" 1
161 1 8 LEU HB2 1 9 GLY H 4.000 . 6.500 2.611 2.307 3.595 . 0 0 "[ . 1 .]" 1
162 1 8 LEU HB2 1 11 VAL H 4.000 . 6.500 5.651 5.357 5.975 . 0 0 "[ . 1 .]" 1
163 1 8 LEU HG 1 9 GLY H 4.000 . 6.500 4.196 1.903 4.808 . 0 0 "[ . 1 .]" 1
164 1 8 LEU HG 1 11 VAL MG2 4.000 . 6.500 4.468 3.806 5.252 . 0 0 "[ . 1 .]" 1
165 1 8 LEU MD1 1 9 GLY H 4.000 . 6.500 4.276 2.254 4.654 . 0 0 "[ . 1 .]" 1
166 1 9 GLY H 1 10 LEU H 4.000 . 6.500 2.830 2.560 3.112 . 0 0 "[ . 1 .]" 1
167 1 9 GLY H 1 10 LEU HA 4.000 . 6.500 5.451 5.229 5.650 . 0 0 "[ . 1 .]" 1
168 1 9 GLY H 1 10 LEU HB2 4.000 . 6.500 4.758 4.387 5.005 . 0 0 "[ . 1 .]" 1
169 1 9 GLY H 1 11 VAL H 4.000 . 6.500 4.434 4.139 4.672 . 0 0 "[ . 1 .]" 1
170 1 9 GLY H 1 11 VAL HB 4.000 . 6.500 5.352 5.023 5.756 . 0 0 "[ . 1 .]" 1
171 1 9 GLY H 1 12 LEU H 4.000 . 6.500 4.632 4.469 4.907 . 0 0 "[ . 1 .]" 1
172 1 9 GLY H 1 12 LEU HB2 4.000 . 6.500 4.806 4.464 5.260 . 0 0 "[ . 1 .]" 1
173 1 9 GLY H 1 12 LEU HB3 4.000 . 6.500 6.077 4.435 6.541 0.041 6 0 "[ . 1 .]" 1
174 1 9 GLY H 1 12 LEU MD1 4.000 . 6.500 4.638 3.591 6.563 0.063 8 0 "[ . 1 .]" 1
175 1 9 GLY H 1 12 LEU MD2 4.000 . 6.500 5.755 4.566 6.546 0.046 5 0 "[ . 1 .]" 1
176 1 9 GLY HA3 1 10 LEU H 4.000 . 6.500 2.763 2.672 2.899 . 0 0 "[ . 1 .]" 1
177 1 9 GLY HA3 1 10 LEU HB2 4.000 . 6.500 4.989 4.797 5.207 . 0 0 "[ . 1 .]" 1
178 1 9 GLY HA3 1 10 LEU HB3 4.000 . 6.500 6.079 5.957 6.171 . 0 0 "[ . 1 .]" 1
179 1 9 GLY HA3 1 11 VAL H 4.000 . 6.500 4.985 4.767 5.090 . 0 0 "[ . 1 .]" 1
180 1 9 GLY HA3 1 12 LEU H 4.000 . 6.500 4.690 4.475 5.068 . 0 0 "[ . 1 .]" 1
181 1 9 GLY HA3 1 12 LEU HB2 4.000 . 6.500 4.273 3.771 5.105 . 0 0 "[ . 1 .]" 1
182 1 9 GLY HA3 1 12 LEU HB3 4.000 . 6.500 5.163 3.725 5.764 . 0 0 "[ . 1 .]" 1
183 1 9 GLY HA3 1 12 LEU MD1 4.000 . 6.500 4.757 3.647 6.243 . 0 0 "[ . 1 .]" 1
184 1 9 GLY HA3 1 12 LEU MD2 4.000 . 6.500 5.395 3.718 6.360 . 0 0 "[ . 1 .]" 1
185 1 9 GLY HA3 1 13 ALA MB 4.000 . 6.500 4.484 4.179 4.696 . 0 0 "[ . 1 .]" 1
186 1 9 GLY HA2 1 10 LEU H 4.000 . 6.500 3.568 3.540 3.582 . 0 0 "[ . 1 .]" 1
187 1 9 GLY HA2 1 10 LEU HB2 4.000 . 6.500 5.678 5.582 5.785 . 0 0 "[ . 1 .]" 1
188 1 9 GLY HA2 1 11 VAL H 4.000 . 6.500 4.831 4.566 5.078 . 0 0 "[ . 1 .]" 1
189 1 9 GLY HA2 1 11 VAL HB 4.000 . 6.500 5.408 5.113 5.788 . 0 0 "[ . 1 .]" 1
190 1 9 GLY HA2 1 12 LEU HB3 4.000 . 6.500 3.600 2.155 4.166 . 0 0 "[ . 1 .]" 1
191 1 9 GLY HA2 1 12 LEU MD1 4.000 . 6.500 3.323 2.151 4.877 . 0 0 "[ . 1 .]" 1
192 1 9 GLY HA2 1 13 ALA H 4.000 . 6.500 3.669 3.336 3.995 . 0 0 "[ . 1 .]" 1
193 1 10 LEU H 1 10 LEU HB2 4.000 . 6.500 2.250 2.115 2.416 . 0 0 "[ . 1 .]" 1
194 1 10 LEU H 1 11 VAL H 4.000 . 6.500 2.830 2.682 2.943 . 0 0 "[ . 1 .]" 1
195 1 10 LEU H 1 11 VAL HA 4.000 . 6.500 5.433 5.332 5.525 . 0 0 "[ . 1 .]" 1
196 1 10 LEU H 1 11 VAL HB 4.000 . 6.500 5.044 4.844 5.413 . 0 0 "[ . 1 .]" 1
197 1 10 LEU H 1 11 VAL MG2 4.000 . 6.500 4.073 3.804 4.340 . 0 0 "[ . 1 .]" 1
198 1 10 LEU H 1 12 LEU HB2 4.000 . 6.500 5.038 4.741 5.850 . 0 0 "[ . 1 .]" 1
199 1 10 LEU H 1 14 VAL MG2 4.000 . 6.500 5.226 5.112 5.380 . 0 0 "[ . 1 .]" 1
200 1 10 LEU HA 1 11 VAL H 4.000 . 6.500 3.583 3.574 3.590 . 0 0 "[ . 1 .]" 1
201 1 10 LEU HA 1 11 VAL HB 4.000 . 6.500 5.893 5.823 6.063 . 0 0 "[ . 1 .]" 1
202 1 10 LEU HA 1 11 VAL MG2 4.000 . 6.500 4.904 4.753 4.975 . 0 0 "[ . 1 .]" 1
203 1 10 LEU HA 1 12 LEU HB2 4.000 . 6.500 5.412 4.783 6.408 . 0 0 "[ . 1 .]" 1
204 1 10 LEU HA 1 13 ALA H 4.000 . 6.500 3.371 3.044 3.678 . 0 0 "[ . 1 .]" 1
205 1 10 LEU HA 1 13 ALA MB 4.000 . 6.500 2.338 2.108 2.550 . 0 0 "[ . 1 .]" 1
206 1 10 LEU HA 1 14 VAL H 4.000 . 6.500 3.677 3.514 3.861 . 0 0 "[ . 1 .]" 1
207 1 10 LEU HB3 1 13 ALA H 4.000 . 6.500 5.360 5.094 5.628 . 0 0 "[ . 1 .]" 1
208 1 10 LEU HB3 1 14 VAL HA 4.000 . 6.500 6.349 6.021 6.503 0.003 13 0 "[ . 1 .]" 1
209 1 10 LEU HB3 1 15 LEU H 4.000 . 6.500 6.478 6.171 6.584 0.084 8 0 "[ . 1 .]" 1
210 1 10 LEU MD1 1 14 VAL MG2 4.000 . 6.500 4.339 4.042 4.676 . 0 0 "[ . 1 .]" 1
211 1 11 VAL H 1 11 VAL HB 4.000 . 6.500 2.746 2.590 2.981 . 0 0 "[ . 1 .]" 1
212 1 11 VAL H 1 11 VAL MG1 4.000 . 6.500 3.748 3.654 3.783 . 0 0 "[ . 1 .]" 1
213 1 11 VAL H 1 12 LEU H 4.000 . 6.500 2.858 2.734 3.007 . 0 0 "[ . 1 .]" 1
214 1 11 VAL H 1 12 LEU HB2 4.000 . 6.500 4.852 4.661 5.504 . 0 0 "[ . 1 .]" 1
215 1 11 VAL H 1 12 LEU HB3 4.000 . 6.500 5.973 4.659 6.383 . 0 0 "[ . 1 .]" 1
216 1 11 VAL H 1 13 ALA MB 4.000 . 6.500 4.828 4.652 4.985 . 0 0 "[ . 1 .]" 1
217 1 11 VAL H 1 14 VAL MG2 4.000 . 6.500 4.157 3.860 4.462 . 0 0 "[ . 1 .]" 1
218 1 11 VAL H 1 15 LEU HB3 4.000 . 6.500 6.387 6.191 6.506 0.006 14 0 "[ . 1 .]" 1
219 1 11 VAL HA 1 12 LEU HB2 4.000 . 6.500 5.705 5.584 6.079 . 0 0 "[ . 1 .]" 1
220 1 11 VAL HA 1 13 ALA H 4.000 . 6.500 4.817 4.190 5.019 . 0 0 "[ . 1 .]" 1
221 1 11 VAL HA 1 13 ALA MB 4.000 . 6.500 5.153 5.005 5.365 . 0 0 "[ . 1 .]" 1
222 1 11 VAL HA 1 14 VAL H 4.000 . 6.500 3.489 3.285 3.738 . 0 0 "[ . 1 .]" 1
223 1 11 VAL HA 1 14 VAL HB 4.000 . 6.500 2.567 2.262 2.937 . 0 0 "[ . 1 .]" 1
224 1 11 VAL HA 1 14 VAL MG2 4.000 . 6.500 3.164 2.667 3.840 . 0 0 "[ . 1 .]" 1
225 1 11 VAL HA 1 15 LEU H 4.000 . 6.500 3.488 3.152 3.668 . 0 0 "[ . 1 .]" 1
226 1 11 VAL HA 1 15 LEU MD1 4.000 . 6.500 6.022 5.162 6.529 0.029 6 0 "[ . 1 .]" 1
227 1 11 VAL HA 1 15 LEU MD2 4.000 . 6.500 5.345 3.894 5.909 . 0 0 "[ . 1 .]" 1
228 1 11 VAL HB 1 12 LEU HA 4.000 . 6.500 4.203 4.033 4.311 . 0 0 "[ . 1 .]" 1
229 1 11 VAL HB 1 12 LEU HB3 4.000 . 6.500 5.511 4.596 5.730 . 0 0 "[ . 1 .]" 1
230 1 11 VAL HB 1 13 ALA H 4.000 . 6.500 5.085 4.740 5.227 . 0 0 "[ . 1 .]" 1
231 1 11 VAL HB 1 14 VAL MG2 4.000 . 6.500 5.523 5.165 5.971 . 0 0 "[ . 1 .]" 1
232 1 11 VAL MG1 1 14 VAL H 4.000 . 6.500 4.744 4.618 5.001 . 0 0 "[ . 1 .]" 1
233 1 11 VAL MG1 1 14 VAL MG2 4.000 . 6.500 4.548 4.137 5.079 . 0 0 "[ . 1 .]" 1
234 1 11 VAL MG1 1 15 LEU HA 4.000 . 6.500 4.935 4.574 5.242 . 0 0 "[ . 1 .]" 1
235 1 11 VAL MG1 1 15 LEU MD1 4.000 . 6.500 3.952 2.869 4.957 . 0 0 "[ . 1 .]" 1
236 1 11 VAL MG1 1 15 LEU MD2 4.000 . 6.500 3.921 2.223 4.670 . 0 0 "[ . 1 .]" 1
237 1 12 LEU H 1 13 ALA H 4.000 . 6.500 2.804 2.679 2.878 . 0 0 "[ . 1 .]" 1
238 1 12 LEU H 1 13 ALA MB 4.000 . 6.500 4.409 4.288 4.502 . 0 0 "[ . 1 .]" 1
239 1 12 LEU H 1 14 VAL H 4.000 . 6.500 3.945 3.769 4.223 . 0 0 "[ . 1 .]" 1
240 1 12 LEU HB2 1 13 ALA HA 4.000 . 6.500 4.884 4.328 5.596 . 0 0 "[ . 1 .]" 1
241 1 12 LEU HB2 1 13 ALA MB 4.000 . 6.500 4.366 3.855 5.309 . 0 0 "[ . 1 .]" 1
242 1 12 LEU HB2 1 14 VAL H 4.000 . 6.500 5.003 4.663 5.568 . 0 0 "[ . 1 .]" 1
243 1 12 LEU HB2 1 15 LEU MD2 4.000 . 6.500 4.437 4.032 4.940 . 0 0 "[ . 1 .]" 1
244 1 12 LEU HB2 1 16 LEU H 4.000 . 6.500 5.694 5.365 6.517 0.017 7 0 "[ . 1 .]" 1
245 1 12 LEU HB3 1 16 LEU HG 4.000 . 6.500 4.239 3.202 5.565 . 0 0 "[ . 1 .]" 1
246 1 12 LEU HB3 1 16 LEU MD1 4.000 . 6.500 3.415 2.576 6.258 . 0 0 "[ . 1 .]" 1
247 1 13 ALA H 1 14 VAL H 4.000 . 6.500 2.741 2.436 2.829 . 0 0 "[ . 1 .]" 1
248 1 13 ALA H 1 14 VAL HA 4.000 . 6.500 5.389 5.120 5.462 . 0 0 "[ . 1 .]" 1
249 1 13 ALA H 1 14 VAL HB 4.000 . 6.500 5.018 4.572 5.152 . 0 0 "[ . 1 .]" 1
250 1 13 ALA H 1 14 VAL MG1 4.000 . 6.500 6.019 5.713 6.109 . 0 0 "[ . 1 .]" 1
251 1 13 ALA H 1 14 VAL MG2 4.000 . 6.500 4.244 4.026 4.412 . 0 0 "[ . 1 .]" 1
252 1 13 ALA H 1 15 LEU H 4.000 . 6.500 4.399 4.192 4.654 . 0 0 "[ . 1 .]" 1
253 1 13 ALA H 1 15 LEU MD2 4.000 . 6.500 4.757 3.924 5.064 . 0 0 "[ . 1 .]" 1
254 1 13 ALA H 1 16 LEU H 4.000 . 6.500 4.630 4.513 4.851 . 0 0 "[ . 1 .]" 1
255 1 13 ALA H 1 16 LEU HB2 4.000 . 6.500 4.761 4.417 5.367 . 0 0 "[ . 1 .]" 1
256 1 13 ALA H 1 16 LEU MD1 4.000 . 6.500 4.057 3.362 6.540 0.040 11 0 "[ . 1 .]" 1
257 1 13 ALA HA 1 14 VAL H 4.000 . 6.500 3.530 3.490 3.555 . 0 0 "[ . 1 .]" 1
258 1 13 ALA HA 1 16 LEU H 4.000 . 6.500 3.782 3.474 4.092 . 0 0 "[ . 1 .]" 1
259 1 13 ALA HA 1 16 LEU HB2 4.000 . 6.500 2.636 2.135 3.100 . 0 0 "[ . 1 .]" 1
260 1 13 ALA HA 1 16 LEU MD2 4.000 . 6.500 4.770 4.440 5.236 . 0 0 "[ . 1 .]" 1
261 1 13 ALA HA 1 17 ILE HB 4.000 . 6.500 5.643 5.035 6.526 0.026 8 0 "[ . 1 .]" 1
262 1 13 ALA MB 1 14 VAL H 4.000 . 6.500 2.638 2.439 2.795 . 0 0 "[ . 1 .]" 1
263 1 13 ALA MB 1 14 VAL HA 4.000 . 6.500 3.851 3.693 3.928 . 0 0 "[ . 1 .]" 1
264 1 13 ALA MB 1 14 VAL HB 4.000 . 6.500 4.577 4.461 4.685 . 0 0 "[ . 1 .]" 1
265 1 13 ALA MB 1 15 LEU H 4.000 . 6.500 4.733 4.624 4.889 . 0 0 "[ . 1 .]" 1
266 1 13 ALA MB 1 16 LEU H 4.000 . 6.500 4.774 4.524 4.972 . 0 0 "[ . 1 .]" 1
267 1 13 ALA MB 1 16 LEU HB2 4.000 . 6.500 4.165 3.784 4.521 . 0 0 "[ . 1 .]" 1
268 1 13 ALA MB 1 17 ILE H 4.000 . 6.500 5.545 5.143 5.886 . 0 0 "[ . 1 .]" 1
269 1 13 ALA MB 1 17 ILE HB 4.000 . 6.500 5.597 5.180 6.148 . 0 0 "[ . 1 .]" 1
270 1 14 VAL H 1 14 VAL HB 4.000 . 6.500 2.493 2.386 2.586 . 0 0 "[ . 1 .]" 1
271 1 14 VAL H 1 14 VAL MG2 4.000 . 6.500 2.281 2.150 2.569 . 0 0 "[ . 1 .]" 1
272 1 14 VAL H 1 15 LEU H 4.000 . 6.500 2.571 2.397 2.800 . 0 0 "[ . 1 .]" 1
273 1 14 VAL H 1 15 LEU HB3 4.000 . 6.500 4.455 4.185 4.846 . 0 0 "[ . 1 .]" 1
274 1 14 VAL H 1 15 LEU HG 4.000 . 6.500 6.309 4.629 6.589 0.089 13 0 "[ . 1 .]" 1
275 1 14 VAL H 1 15 LEU MD2 4.000 . 6.500 4.711 3.958 5.067 . 0 0 "[ . 1 .]" 1
276 1 14 VAL H 1 16 LEU HB2 4.000 . 6.500 4.616 4.436 4.812 . 0 0 "[ . 1 .]" 1
277 1 14 VAL H 1 16 LEU MD1 4.000 . 6.500 5.055 4.636 6.514 0.014 11 0 "[ . 1 .]" 1
278 1 14 VAL H 1 17 ILE HB 4.000 . 6.500 6.374 6.029 6.556 0.056 13 0 "[ . 1 .]" 1
279 1 14 VAL HA 1 15 LEU H 4.000 . 6.500 3.589 3.572 3.603 . 0 0 "[ . 1 .]" 1
280 1 14 VAL HA 1 15 LEU MD2 4.000 . 6.500 5.826 5.018 6.417 . 0 0 "[ . 1 .]" 1
281 1 14 VAL HA 1 16 LEU H 4.000 . 6.500 4.341 3.628 4.565 . 0 0 "[ . 1 .]" 1
282 1 14 VAL HA 1 16 LEU HB2 4.000 . 6.500 4.864 4.517 5.531 . 0 0 "[ . 1 .]" 1
283 1 14 VAL HA 1 17 ILE H 4.000 . 6.500 3.615 3.462 3.788 . 0 0 "[ . 1 .]" 1
284 1 14 VAL HA 1 17 ILE HB 4.000 . 6.500 4.326 3.429 4.650 . 0 0 "[ . 1 .]" 1
285 1 14 VAL HA 1 17 ILE HG13 4.000 . 6.500 6.239 4.354 6.537 0.037 12 0 "[ . 1 .]" 1
286 1 14 VAL HA 1 17 ILE MG 4.000 . 6.500 2.657 2.165 4.921 . 0 0 "[ . 1 .]" 1
287 1 14 VAL HA 1 18 CYS H 4.000 . 6.500 4.832 3.782 5.169 . 0 0 "[ . 1 .]" 1
288 1 14 VAL HA 1 18 CYS HG 4.000 . 6.500 5.456 3.552 6.303 . 0 0 "[ . 1 .]" 1
289 1 14 VAL HB 1 15 LEU H 4.000 . 6.500 2.434 2.268 2.517 . 0 0 "[ . 1 .]" 1
290 1 14 VAL HB 1 15 LEU MD2 4.000 . 6.500 5.316 4.439 5.771 . 0 0 "[ . 1 .]" 1
291 1 14 VAL MG1 1 15 LEU H 4.000 . 6.500 3.320 3.100 3.540 . 0 0 "[ . 1 .]" 1
292 1 14 VAL MG1 1 16 LEU H 4.000 . 6.500 4.931 4.379 5.046 . 0 0 "[ . 1 .]" 1
293 1 14 VAL MG1 1 17 ILE H 4.000 . 6.500 4.255 4.083 4.438 . 0 0 "[ . 1 .]" 1
294 1 14 VAL MG1 1 17 ILE HB 4.000 . 6.500 5.293 3.947 5.694 . 0 0 "[ . 1 .]" 1
295 1 14 VAL MG1 1 18 CYS HA 4.000 . 6.500 4.897 4.489 5.442 . 0 0 "[ . 1 .]" 1
296 1 14 VAL MG1 1 18 CYS HB2 4.000 . 6.500 2.500 2.172 2.935 . 0 0 "[ . 1 .]" 1
297 1 14 VAL MG1 1 18 CYS HB3 4.000 . 6.500 3.198 2.358 3.740 . 0 0 "[ . 1 .]" 1
298 1 14 VAL MG2 1 18 CYS HB2 4.000 . 6.500 4.907 4.410 5.315 . 0 0 "[ . 1 .]" 1
299 1 15 LEU H 1 15 LEU HB3 4.000 . 6.500 2.179 2.117 2.300 . 0 0 "[ . 1 .]" 1
300 1 15 LEU H 1 15 LEU HG 4.000 . 6.500 4.101 2.799 4.387 . 0 0 "[ . 1 .]" 1
301 1 15 LEU H 1 16 LEU HB2 4.000 . 6.500 4.613 4.392 4.752 . 0 0 "[ . 1 .]" 1
302 1 15 LEU H 1 17 ILE HB 4.000 . 6.500 6.386 5.902 6.557 0.057 7 0 "[ . 1 .]" 1
303 1 15 LEU H 1 18 CYS HB3 4.000 . 6.500 5.543 4.436 6.200 . 0 0 "[ . 1 .]" 1
304 1 15 LEU H 1 19 TRP HD1 4.000 . 6.500 6.591 6.532 6.637 0.137 14 0 "[ . 1 .]" 1
305 1 15 LEU HA 1 15 LEU HG 4.000 . 6.500 3.061 2.820 3.649 . 0 0 "[ . 1 .]" 1
306 1 15 LEU HA 1 15 LEU MD2 4.000 . 6.500 3.798 3.548 4.141 . 0 0 "[ . 1 .]" 1
307 1 15 LEU HA 1 18 CYS HB3 4.000 . 6.500 3.531 2.614 3.992 . 0 0 "[ . 1 .]" 1
308 1 15 LEU HA 1 19 TRP HB2 4.000 . 6.500 5.282 4.967 5.492 . 0 0 "[ . 1 .]" 1
309 1 15 LEU HA 1 19 TRP HE3 4.000 . 6.500 5.227 5.008 5.421 . 0 0 "[ . 1 .]" 1
310 1 15 LEU HA 1 20 PHE H 4.000 . 6.500 5.734 5.088 6.009 . 0 0 "[ . 1 .]" 1
311 1 15 LEU HB2 1 17 ILE H 4.000 . 6.500 5.257 5.091 5.429 . 0 0 "[ . 1 .]" 1
312 1 15 LEU HB2 1 18 CYS HA 4.000 . 6.500 6.509 6.156 6.591 0.091 12 0 "[ . 1 .]" 1
313 1 15 LEU HB2 1 19 TRP HE3 4.000 . 6.500 6.486 6.092 6.600 0.100 3 0 "[ . 1 .]" 1
314 1 15 LEU HB3 1 16 LEU H 4.000 . 6.500 3.135 2.807 3.991 . 0 0 "[ . 1 .]" 1
315 1 15 LEU HB3 1 17 ILE H 4.000 . 6.500 4.971 4.806 5.390 . 0 0 "[ . 1 .]" 1
316 1 15 LEU HB3 1 19 TRP HD1 4.000 . 6.500 5.626 5.334 6.195 . 0 0 "[ . 1 .]" 1
317 1 15 LEU HG 1 16 LEU H 4.000 . 6.500 3.240 1.889 3.754 . 0 0 "[ . 1 .]" 1
318 1 15 LEU HG 1 16 LEU HA 4.000 . 6.500 3.419 3.253 3.608 . 0 0 "[ . 1 .]" 1
319 1 15 LEU HG 1 16 LEU HB2 4.000 . 6.500 5.091 3.895 5.540 . 0 0 "[ . 1 .]" 1
320 1 15 LEU HG 1 16 LEU HG 4.000 . 6.500 4.364 2.681 6.516 0.016 11 0 "[ . 1 .]" 1
321 1 15 LEU HG 1 17 ILE H 4.000 . 6.500 4.440 4.312 4.996 . 0 0 "[ . 1 .]" 1
322 1 15 LEU HG 1 18 CYS H 4.000 . 6.500 4.118 3.748 5.266 . 0 0 "[ . 1 .]" 1
323 1 15 LEU MD1 1 19 TRP HA 4.000 . 6.500 2.315 1.995 3.778 . 0 0 "[ . 1 .]" 1
324 1 15 LEU MD1 1 19 TRP HB2 4.000 . 6.500 3.874 3.448 5.130 . 0 0 "[ . 1 .]" 1
325 1 15 LEU MD1 1 20 PHE QE 4.000 . 6.500 4.086 2.308 6.534 0.034 6 0 "[ . 1 .]" 1
326 1 15 LEU MD2 1 16 LEU H 4.000 . 6.500 2.307 1.983 3.737 . 0 0 "[ . 1 .]" 1
327 1 15 LEU MD2 1 16 LEU HA 4.000 . 6.500 2.974 2.449 4.654 . 0 0 "[ . 1 .]" 1
328 1 15 LEU MD2 1 16 LEU HB2 4.000 . 6.500 3.776 2.880 5.265 . 0 0 "[ . 1 .]" 1
329 1 15 LEU MD2 1 16 LEU HG 4.000 . 6.500 2.674 2.086 4.352 . 0 0 "[ . 1 .]" 1
330 1 15 LEU MD2 1 16 LEU MD2 4.000 . 6.500 3.123 2.398 4.608 . 0 0 "[ . 1 .]" 1
331 1 15 LEU MD2 1 18 CYS HB2 4.000 . 6.500 6.118 5.575 6.553 0.053 2 0 "[ . 1 .]" 1
332 1 15 LEU MD2 1 19 TRP H 4.000 . 6.500 4.551 4.012 5.433 . 0 0 "[ . 1 .]" 1
333 1 15 LEU MD2 1 19 TRP HA 4.000 . 6.500 4.132 3.860 4.769 . 0 0 "[ . 1 .]" 1
334 1 15 LEU MD2 1 19 TRP HB2 4.000 . 6.500 5.339 4.735 6.264 . 0 0 "[ . 1 .]" 1
335 1 15 LEU MD2 1 19 TRP HB3 4.000 . 6.500 3.923 3.258 4.845 . 0 0 "[ . 1 .]" 1
336 1 15 LEU MD2 1 19 TRP HD1 4.000 . 6.500 3.381 2.616 4.898 . 0 0 "[ . 1 .]" 1
337 1 15 LEU MD2 1 19 TRP HE1 4.000 . 6.500 4.858 3.985 6.527 0.027 2 0 "[ . 1 .]" 1
338 1 16 LEU H 1 16 LEU HB2 4.000 . 6.500 2.309 2.132 2.412 . 0 0 "[ . 1 .]" 1
339 1 16 LEU H 1 16 LEU HB3 4.000 . 6.500 3.518 2.948 3.623 . 0 0 "[ . 1 .]" 1
340 1 16 LEU H 1 16 LEU HG 4.000 . 6.500 2.816 2.363 4.492 . 0 0 "[ . 1 .]" 1
341 1 16 LEU H 1 16 LEU MD2 4.000 . 6.500 3.820 3.504 4.300 . 0 0 "[ . 1 .]" 1
342 1 16 LEU H 1 17 ILE H 4.000 . 6.500 2.739 2.207 2.832 . 0 0 "[ . 1 .]" 1
343 1 16 LEU H 1 17 ILE HB 4.000 . 6.500 5.108 4.523 5.324 . 0 0 "[ . 1 .]" 1
344 1 16 LEU H 1 17 ILE MG 4.000 . 6.500 4.538 3.665 6.172 . 0 0 "[ . 1 .]" 1
345 1 16 LEU H 1 17 ILE MD 4.000 . 6.500 6.099 4.004 6.553 0.053 1 0 "[ . 1 .]" 1
346 1 16 LEU H 1 19 TRP H 4.000 . 6.500 4.537 4.259 4.847 . 0 0 "[ . 1 .]" 1
347 1 16 LEU H 1 19 TRP HD1 4.000 . 6.500 4.790 4.603 5.106 . 0 0 "[ . 1 .]" 1
348 1 16 LEU HA 1 16 LEU MD2 4.000 . 6.500 2.098 1.828 2.303 . 0 0 "[ . 1 .]" 1
349 1 16 LEU HA 1 17 ILE H 4.000 . 6.500 3.431 3.408 3.477 . 0 0 "[ . 1 .]" 1
350 1 16 LEU HA 1 17 ILE MD 4.000 . 6.500 5.972 4.346 6.574 0.074 7 0 "[ . 1 .]" 1
351 1 16 LEU HA 1 19 TRP HE1 4.000 . 6.500 2.703 2.315 3.266 . 0 0 "[ . 1 .]" 1
352 1 16 LEU HB2 1 17 ILE HB 4.000 . 6.500 4.340 3.980 5.206 . 0 0 "[ . 1 .]" 1
353 1 16 LEU HB2 1 17 ILE MD 4.000 . 6.500 5.194 2.452 6.467 . 0 0 "[ . 1 .]" 1
354 1 16 LEU HB2 1 18 CYS H 4.000 . 6.500 5.136 4.983 5.550 . 0 0 "[ . 1 .]" 1
355 1 16 LEU HB2 1 19 TRP H 4.000 . 6.500 6.022 5.836 6.439 . 0 0 "[ . 1 .]" 1
356 1 16 LEU HB3 1 17 ILE H 4.000 . 6.500 3.762 3.137 3.981 . 0 0 "[ . 1 .]" 1
357 1 16 LEU HB3 1 17 ILE HB 4.000 . 6.500 4.166 3.509 5.436 . 0 0 "[ . 1 .]" 1
358 1 16 LEU MD2 1 17 ILE MD 4.000 . 6.500 5.703 4.364 6.522 0.022 10 0 "[ . 1 .]" 1
359 1 16 LEU MD2 1 19 TRP H 4.000 . 6.500 5.688 5.390 6.031 . 0 0 "[ . 1 .]" 1
360 1 16 LEU MD2 1 19 TRP HB3 4.000 . 6.500 5.532 4.964 6.260 . 0 0 "[ . 1 .]" 1
361 1 16 LEU MD2 1 19 TRP HD1 4.000 . 6.500 3.542 3.122 4.128 . 0 0 "[ . 1 .]" 1
362 1 16 LEU MD2 1 19 TRP HE1 4.000 . 6.500 3.346 2.659 3.750 . 0 0 "[ . 1 .]" 1
363 1 16 LEU MD2 1 19 TRP HZ2 4.000 . 6.500 5.384 4.771 5.916 . 0 0 "[ . 1 .]" 1
364 1 17 ILE H 1 17 ILE HB 4.000 . 6.500 2.939 2.707 3.058 . 0 0 "[ . 1 .]" 1
365 1 17 ILE H 1 17 ILE HG13 4.000 . 6.500 4.392 2.694 4.653 . 0 0 "[ . 1 .]" 1
366 1 17 ILE H 1 17 ILE MG 4.000 . 6.500 2.572 2.244 3.971 . 0 0 "[ . 1 .]" 1
367 1 17 ILE H 1 17 ILE MD 4.000 . 6.500 4.334 2.881 4.668 . 0 0 "[ . 1 .]" 1
368 1 17 ILE H 1 19 TRP HD1 4.000 . 6.500 5.057 4.771 5.442 . 0 0 "[ . 1 .]" 1
369 1 17 ILE HA 1 17 ILE HG13 4.000 . 6.500 2.398 2.237 3.025 . 0 0 "[ . 1 .]" 1
370 1 17 ILE HA 1 18 CYS HA 4.000 . 6.500 4.465 4.438 4.535 . 0 0 "[ . 1 .]" 1
371 1 17 ILE HB 1 18 CYS H 4.000 . 6.500 4.288 3.889 4.489 . 0 0 "[ . 1 .]" 1
372 1 17 ILE HB 1 18 CYS HA 4.000 . 6.500 5.866 4.948 6.076 . 0 0 "[ . 1 .]" 1
373 1 17 ILE HG13 1 22 VAL MG1 4.000 . 6.500 6.017 5.537 6.556 0.056 9 0 "[ . 1 .]" 1
374 1 17 ILE MG 1 18 CYS H 4.000 . 6.500 3.311 2.466 4.250 . 0 0 "[ . 1 .]" 1
375 1 17 ILE MG 1 18 CYS HA 4.000 . 6.500 3.952 3.613 4.394 . 0 0 "[ . 1 .]" 1
376 1 17 ILE MG 1 18 CYS HB2 4.000 . 6.500 3.166 2.435 5.154 . 0 0 "[ . 1 .]" 1
377 1 17 ILE MG 1 19 TRP HZ2 4.000 . 6.500 4.910 3.260 5.424 . 0 0 "[ . 1 .]" 1
378 1 17 ILE MG 1 19 TRP HH2 4.000 . 6.500 4.923 3.256 5.399 . 0 0 "[ . 1 .]" 1
379 1 17 ILE MD 1 19 TRP HZ2 4.000 . 6.500 4.547 2.678 5.473 . 0 0 "[ . 1 .]" 1
380 1 17 ILE MD 1 26 MET HG2 4.000 . 6.500 5.969 4.007 6.557 0.057 8 0 "[ . 1 .]" 1
381 1 17 ILE MD 1 26 MET HG3 4.000 . 6.500 5.042 3.819 6.204 . 0 0 "[ . 1 .]" 1
382 1 18 CYS H 1 18 CYS HB2 4.000 . 6.500 2.838 2.670 3.080 . 0 0 "[ . 1 .]" 1
383 1 18 CYS H 1 18 CYS HB3 4.000 . 6.500 3.698 3.196 3.892 . 0 0 "[ . 1 .]" 1
384 1 18 CYS H 1 19 TRP HD1 4.000 . 6.500 4.559 4.105 5.108 . 0 0 "[ . 1 .]" 1
385 1 18 CYS H 1 20 PHE H 4.000 . 6.500 5.409 5.092 6.070 . 0 0 "[ . 1 .]" 1
386 1 18 CYS H 1 22 VAL HB 4.000 . 6.500 5.634 5.139 6.447 . 0 0 "[ . 1 .]" 1
387 1 18 CYS HA 1 19 TRP H 4.000 . 6.500 3.237 2.891 3.455 . 0 0 "[ . 1 .]" 1
388 1 18 CYS HA 1 19 TRP HE3 4.000 . 6.500 3.104 2.837 3.338 . 0 0 "[ . 1 .]" 1
389 1 18 CYS HA 1 20 PHE H 4.000 . 6.500 5.012 3.955 5.408 . 0 0 "[ . 1 .]" 1
390 1 18 CYS HA 1 23 LEU MD2 4.000 . 6.500 3.807 2.212 5.269 . 0 0 "[ . 1 .]" 1
391 1 18 CYS HA 1 26 MET HB3 4.000 . 6.500 6.027 5.250 6.537 0.037 5 0 "[ . 1 .]" 1
392 1 18 CYS HB2 1 19 TRP H 4.000 . 6.500 3.718 3.176 4.361 . 0 0 "[ . 1 .]" 1
393 1 18 CYS HB2 1 19 TRP HA 4.000 . 6.500 5.123 4.620 5.750 . 0 0 "[ . 1 .]" 1
394 1 18 CYS HB2 1 19 TRP HH2 4.000 . 6.500 6.520 6.098 6.591 0.091 1 0 "[ . 1 .]" 1
395 1 18 CYS HB3 1 19 TRP H 4.000 . 6.500 3.980 3.300 4.158 . 0 0 "[ . 1 .]" 1
396 1 18 CYS HB3 1 20 PHE H 4.000 . 6.500 6.027 5.181 6.519 0.019 10 0 "[ . 1 .]" 1
397 1 18 CYS HB3 1 23 LEU HB3 4.000 . 6.500 5.397 4.359 6.519 0.019 8 0 "[ . 1 .]" 1
398 1 19 TRP H 1 19 TRP HB2 4.000 . 6.500 3.515 3.273 3.704 . 0 0 "[ . 1 .]" 1
399 1 19 TRP H 1 19 TRP HB3 4.000 . 6.500 3.315 3.203 3.479 . 0 0 "[ . 1 .]" 1
400 1 19 TRP H 1 19 TRP HD1 4.000 . 6.500 3.673 3.595 3.845 . 0 0 "[ . 1 .]" 1
401 1 19 TRP H 1 19 TRP HE1 4.000 . 6.500 4.208 4.080 4.356 . 0 0 "[ . 1 .]" 1
402 1 19 TRP H 1 20 PHE H 4.000 . 6.500 3.892 3.335 4.257 . 0 0 "[ . 1 .]" 1
403 1 19 TRP H 1 20 PHE HA 4.000 . 6.500 5.532 5.292 5.678 . 0 0 "[ . 1 .]" 1
404 1 19 TRP HA 1 19 TRP HE1 4.000 . 6.500 5.888 5.637 6.018 . 0 0 "[ . 1 .]" 1
405 1 19 TRP HA 1 19 TRP HE3 4.000 . 6.500 4.079 3.935 4.245 . 0 0 "[ . 1 .]" 1
406 1 19 TRP HA 1 19 TRP HZ3 4.000 . 6.500 6.333 6.215 6.462 . 0 0 "[ . 1 .]" 1
407 1 19 TRP HA 1 20 PHE H 4.000 . 6.500 3.515 3.454 3.580 . 0 0 "[ . 1 .]" 1
408 1 19 TRP HA 1 22 VAL HB 4.000 . 6.500 6.515 6.423 6.536 0.036 2 0 "[ . 1 .]" 1
409 1 19 TRP HB2 1 19 TRP HE3 4.000 . 6.500 3.050 2.923 3.207 . 0 0 "[ . 1 .]" 1
410 1 19 TRP HB2 1 19 TRP HZ3 4.000 . 6.500 5.398 5.287 5.537 . 0 0 "[ . 1 .]" 1
411 1 19 TRP HB2 1 20 PHE H 4.000 . 6.500 1.690 1.541 2.158 . 0 0 "[ . 1 .]" 1
412 1 19 TRP HB2 1 22 VAL H 4.000 . 6.500 3.783 3.379 4.048 . 0 0 "[ . 1 .]" 1
413 1 19 TRP HB2 1 22 VAL HB 4.000 . 6.500 4.496 4.317 4.674 . 0 0 "[ . 1 .]" 1
414 1 19 TRP HB2 1 22 VAL MG2 4.000 . 6.500 3.271 2.598 3.768 . 0 0 "[ . 1 .]" 1
415 1 19 TRP HB2 1 23 LEU H 4.000 . 6.500 5.165 4.865 5.677 . 0 0 "[ . 1 .]" 1
416 1 19 TRP HB3 1 19 TRP HE3 4.000 . 6.500 4.237 4.218 4.253 . 0 0 "[ . 1 .]" 1
417 1 19 TRP HB3 1 19 TRP HZ3 4.000 . 6.500 6.502 6.488 6.516 0.016 5 0 "[ . 1 .]" 1
418 1 19 TRP HB3 1 21 PRO HG3 4.000 . 6.500 6.058 5.849 6.513 0.013 9 0 "[ . 1 .]" 1
419 1 19 TRP HB3 1 22 VAL HB 4.000 . 6.500 5.614 5.479 5.769 . 0 0 "[ . 1 .]" 1
420 1 19 TRP HB3 1 22 VAL MG2 4.000 . 6.500 4.289 3.638 4.767 . 0 0 "[ . 1 .]" 1
421 1 19 TRP HE1 1 22 VAL MG1 4.000 . 6.500 4.284 3.677 5.101 . 0 0 "[ . 1 .]" 1
422 1 19 TRP HE3 1 20 PHE H 4.000 . 6.500 2.253 1.857 2.486 . 0 0 "[ . 1 .]" 1
423 1 19 TRP HE3 1 20 PHE HA 4.000 . 6.500 3.883 3.460 4.476 . 0 0 "[ . 1 .]" 1
424 1 19 TRP HE3 1 21 PRO HG2 4.000 . 6.500 5.481 5.001 5.974 . 0 0 "[ . 1 .]" 1
425 1 19 TRP HE3 1 21 PRO HG3 4.000 . 6.500 6.304 6.046 6.508 0.008 2 0 "[ . 1 .]" 1
426 1 19 TRP HE3 1 22 VAL HA 4.000 . 6.500 5.310 5.126 5.561 . 0 0 "[ . 1 .]" 1
427 1 19 TRP HE3 1 22 VAL MG1 4.000 . 6.500 4.696 4.360 5.063 . 0 0 "[ . 1 .]" 1
428 1 19 TRP HE3 1 22 VAL MG2 4.000 . 6.500 3.655 3.099 3.998 . 0 0 "[ . 1 .]" 1
429 1 19 TRP HE3 1 23 LEU H 4.000 . 6.500 3.024 2.644 3.618 . 0 0 "[ . 1 .]" 1
430 1 19 TRP HE3 1 23 LEU MD1 4.000 . 6.500 5.153 3.792 5.960 . 0 0 "[ . 1 .]" 1
431 1 19 TRP HE3 1 23 LEU MD2 4.000 . 6.500 3.420 2.237 4.262 . 0 0 "[ . 1 .]" 1
432 1 19 TRP HE3 1 24 ALA H 4.000 . 6.500 5.613 5.174 6.372 . 0 0 "[ . 1 .]" 1
433 1 19 TRP HZ2 1 22 VAL MG1 4.000 . 6.500 3.174 2.384 3.751 . 0 0 "[ . 1 .]" 1
434 1 19 TRP HZ2 1 22 VAL MG2 4.000 . 6.500 4.236 3.901 4.722 . 0 0 "[ . 1 .]" 1
435 1 19 TRP HZ2 1 26 MET HB3 4.000 . 6.500 5.670 4.431 6.521 0.021 6 0 "[ . 1 .]" 1
436 1 19 TRP HZ3 1 22 VAL MG1 4.000 . 6.500 3.923 3.257 4.758 . 0 0 "[ . 1 .]" 1
437 1 19 TRP HZ3 1 22 VAL MG2 4.000 . 6.500 4.425 4.206 4.576 . 0 0 "[ . 1 .]" 1
438 1 19 TRP HZ3 1 23 LEU MD2 4.000 . 6.500 3.665 2.307 4.254 . 0 0 "[ . 1 .]" 1
439 1 19 TRP HZ3 1 26 MET HB3 4.000 . 6.500 3.760 3.272 4.254 . 0 0 "[ . 1 .]" 1
440 1 19 TRP HH2 1 20 PHE H 4.000 . 6.500 6.355 5.908 6.551 0.051 1 0 "[ . 1 .]" 1
441 1 19 TRP HH2 1 22 VAL MG1 4.000 . 6.500 3.122 2.648 3.870 . 0 0 "[ . 1 .]" 1
442 1 19 TRP HH2 1 23 LEU HG 4.000 . 6.500 6.061 4.828 6.544 0.044 14 0 "[ . 1 .]" 1
443 1 20 PHE H 1 20 PHE HB2 4.000 . 6.500 3.199 2.878 3.372 . 0 0 "[ . 1 .]" 1
444 1 20 PHE H 1 20 PHE HB3 4.000 . 6.500 3.954 3.658 4.090 . 0 0 "[ . 1 .]" 1
445 1 20 PHE H 1 20 PHE QE 4.000 . 6.500 5.253 4.544 6.367 . 0 0 "[ . 1 .]" 1
446 1 20 PHE H 1 21 PRO HA 4.000 . 6.500 4.749 4.666 4.854 . 0 0 "[ . 1 .]" 1
447 1 20 PHE H 1 21 PRO HD2 4.000 . 6.500 1.938 1.743 2.128 . 0 0 "[ . 1 .]" 1
448 1 20 PHE H 1 21 PRO HD3 4.000 . 6.500 2.636 2.171 3.299 . 0 0 "[ . 1 .]" 1
449 1 20 PHE H 1 22 VAL H 4.000 . 6.500 3.140 2.753 3.537 . 0 0 "[ . 1 .]" 1
450 1 20 PHE H 1 22 VAL MG1 4.000 . 6.500 5.572 5.364 5.738 . 0 0 "[ . 1 .]" 1
451 1 20 PHE H 1 23 LEU HB3 4.000 . 6.500 5.065 4.331 6.162 . 0 0 "[ . 1 .]" 1
452 1 20 PHE H 1 23 LEU MD2 4.000 . 6.500 3.931 2.197 4.710 . 0 0 "[ . 1 .]" 1
453 1 20 PHE HA 1 20 PHE QE 4.000 . 6.500 4.617 4.083 5.017 . 0 0 "[ . 1 .]" 1
454 1 20 PHE HA 1 21 PRO HB2 4.000 . 6.500 6.531 6.368 6.563 0.063 13 0 "[ . 1 .]" 1
455 1 20 PHE HA 1 21 PRO HB3 4.000 . 6.500 5.899 5.717 6.389 . 0 0 "[ . 1 .]" 1
456 1 20 PHE HA 1 21 PRO HD2 4.000 . 6.500 4.183 3.902 4.375 . 0 0 "[ . 1 .]" 1
457 1 20 PHE HA 1 21 PRO HD3 4.000 . 6.500 3.788 3.648 4.022 . 0 0 "[ . 1 .]" 1
458 1 20 PHE HA 1 22 VAL H 4.000 . 6.500 5.091 4.190 5.534 . 0 0 "[ . 1 .]" 1
459 1 20 PHE HA 1 23 LEU H 4.000 . 6.500 4.637 4.119 5.027 . 0 0 "[ . 1 .]" 1
460 1 20 PHE HA 1 23 LEU HB3 4.000 . 6.500 4.788 3.908 5.688 . 0 0 "[ . 1 .]" 1
461 1 20 PHE HA 1 23 LEU HB2 4.000 . 6.500 5.795 3.944 6.507 0.007 11 0 "[ . 1 .]" 1
462 1 20 PHE HA 1 23 LEU MD1 4.000 . 6.500 4.582 1.970 6.022 . 0 0 "[ . 1 .]" 1
463 1 20 PHE HA 1 23 LEU MD2 4.000 . 6.500 2.694 2.014 3.945 . 0 0 "[ . 1 .]" 1
464 1 20 PHE HB2 1 21 PRO HA 4.000 . 6.500 4.422 3.930 5.305 . 0 0 "[ . 1 .]" 1
465 1 20 PHE HB2 1 21 PRO HB2 4.000 . 6.500 5.370 4.930 6.147 . 0 0 "[ . 1 .]" 1
466 1 20 PHE HB2 1 21 PRO HB3 4.000 . 6.500 4.370 3.705 5.535 . 0 0 "[ . 1 .]" 1
467 1 20 PHE HB2 1 21 PRO HD2 4.000 . 6.500 3.242 2.516 3.491 . 0 0 "[ . 1 .]" 1
468 1 20 PHE HB2 1 21 PRO HD3 4.000 . 5.300 1.893 1.736 2.175 . 0 0 "[ . 1 .]" 1
469 1 20 PHE HB2 1 22 VAL H 4.000 . 6.500 4.924 4.693 5.435 . 0 0 "[ . 1 .]" 1
470 1 20 PHE HB2 1 23 LEU MD2 4.000 . 6.500 4.834 4.220 6.249 . 0 0 "[ . 1 .]" 1
471 1 20 PHE HB3 1 21 PRO HA 4.000 . 6.500 4.480 3.900 4.918 . 0 0 "[ . 1 .]" 1
472 1 20 PHE HB3 1 21 PRO HB2 4.000 . 6.500 6.020 5.096 6.555 0.055 7 0 "[ . 1 .]" 1
473 1 20 PHE HB3 1 22 VAL H 4.000 . 6.500 5.654 4.880 6.206 . 0 0 "[ . 1 .]" 1
474 1 20 PHE QE 1 21 PRO HD3 4.000 . 6.500 4.920 4.070 6.047 . 0 0 "[ . 1 .]" 1
475 1 21 PRO HA 1 21 PRO HG2 4.000 . 6.500 3.981 3.893 4.094 . 0 0 "[ . 1 .]" 1
476 1 21 PRO HA 1 21 PRO HD2 4.000 . 6.500 4.004 3.907 4.099 . 0 0 "[ . 1 .]" 1
477 1 21 PRO HA 1 21 PRO HD3 4.000 . 6.500 3.895 3.624 3.995 . 0 0 "[ . 1 .]" 1
478 1 21 PRO HA 1 22 VAL H 4.000 . 6.500 3.542 3.298 3.575 . 0 0 "[ . 1 .]" 1
479 1 21 PRO HA 1 24 ALA MB 4.000 . 6.500 3.873 3.068 5.028 . 0 0 "[ . 1 .]" 1
480 1 21 PRO HB2 1 21 PRO HD2 4.000 . 6.500 3.751 3.158 4.016 . 0 0 "[ . 1 .]" 1
481 1 21 PRO HB2 1 21 PRO HD3 4.000 . 6.500 4.061 3.966 4.122 . 0 0 "[ . 1 .]" 1
482 1 21 PRO HB2 1 22 VAL H 4.000 . 6.500 3.084 2.535 4.032 . 0 0 "[ . 1 .]" 1
483 1 21 PRO HB3 1 21 PRO HD2 4.000 . 6.500 3.934 3.898 3.960 . 0 0 "[ . 1 .]" 1
484 1 21 PRO HB3 1 21 PRO HD3 4.000 . 6.500 3.459 3.083 3.977 . 0 0 "[ . 1 .]" 1
485 1 21 PRO HB3 1 22 VAL H 4.000 . 6.500 4.021 3.796 4.574 . 0 0 "[ . 1 .]" 1
486 1 21 PRO HD3 1 21 PRO HG2 4.000 2.650 6.500 2.883 2.724 2.986 . 0 0 "[ . 1 .]" 1
487 1 21 PRO HG2 1 22 VAL H 4.000 . 6.500 2.564 1.960 3.871 . 0 0 "[ . 1 .]" 1
488 1 21 PRO HG2 1 22 VAL MG1 4.000 . 6.500 4.990 4.559 6.043 . 0 0 "[ . 1 .]" 1
489 1 21 PRO HD2 1 22 VAL H 4.000 . 6.500 2.146 1.761 2.759 . 0 0 "[ . 1 .]" 1
490 1 21 PRO HD3 1 22 VAL H 4.000 . 6.500 3.575 3.329 3.915 . 0 0 "[ . 1 .]" 1
491 1 21 PRO HD2 1 22 VAL MG1 4.000 . 6.500 5.107 4.777 5.752 . 0 0 "[ . 1 .]" 1
492 1 22 VAL H 1 22 VAL MG1 4.000 . 6.500 3.727 3.653 3.932 . 0 0 "[ . 1 .]" 1
493 1 22 VAL H 1 22 VAL MG2 4.000 . 6.500 1.942 1.784 2.569 . 0 0 "[ . 1 .]" 1
494 1 22 VAL H 1 23 LEU H 4.000 . 6.500 2.761 2.055 2.909 . 0 0 "[ . 1 .]" 1
495 1 22 VAL H 1 23 LEU HA 4.000 . 6.500 5.281 4.553 5.479 . 0 0 "[ . 1 .]" 1
496 1 22 VAL H 1 23 LEU HB3 4.000 . 6.500 5.304 4.911 6.337 . 0 0 "[ . 1 .]" 1
497 1 22 VAL H 1 23 LEU HB2 4.000 . 6.500 6.254 4.968 6.534 0.034 4 0 "[ . 1 .]" 1
498 1 22 VAL H 1 23 LEU HG 4.000 . 6.500 4.313 2.868 4.940 . 0 0 "[ . 1 .]" 1
499 1 22 VAL H 1 23 LEU MD1 4.000 . 6.500 5.396 3.162 6.088 . 0 0 "[ . 1 .]" 1
500 1 22 VAL H 1 23 LEU MD2 4.000 . 6.500 4.811 4.304 5.521 . 0 0 "[ . 1 .]" 1
501 1 22 VAL H 1 24 ALA H 4.000 . 6.500 4.706 4.309 5.285 . 0 0 "[ . 1 .]" 1
502 1 22 VAL H 1 24 ALA MB 4.000 . 6.500 5.425 5.148 5.967 . 0 0 "[ . 1 .]" 1
503 1 22 VAL H 1 25 LEU H 4.000 . 6.500 4.954 4.548 5.290 . 0 0 "[ . 1 .]" 1
504 1 22 VAL H 1 26 MET HB3 4.000 . 6.500 6.561 6.521 6.617 0.117 3 0 "[ . 1 .]" 1
505 1 22 VAL HA 1 23 LEU HB3 4.000 . 6.500 5.954 5.677 6.396 . 0 0 "[ . 1 .]" 1
506 1 22 VAL HA 1 23 LEU HB2 4.000 . 6.500 6.431 5.385 6.580 0.080 6 0 "[ . 1 .]" 1
507 1 22 VAL HA 1 23 LEU MD2 4.000 . 6.500 5.966 5.650 6.142 . 0 0 "[ . 1 .]" 1
508 1 22 VAL HA 1 24 ALA MB 4.000 . 6.500 4.622 4.146 5.118 . 0 0 "[ . 1 .]" 1
509 1 22 VAL HA 1 25 LEU H 4.000 . 6.500 3.032 2.597 3.344 . 0 0 "[ . 1 .]" 1
510 1 22 VAL HA 1 25 LEU HB2 4.000 . 6.500 2.091 1.861 2.545 . 0 0 "[ . 1 .]" 1
511 1 22 VAL HA 1 25 LEU HB3 4.000 . 6.500 3.491 2.042 4.164 . 0 0 "[ . 1 .]" 1
512 1 22 VAL HA 1 25 LEU MD1 4.000 . 6.500 2.864 1.936 4.726 . 0 0 "[ . 1 .]" 1
513 1 22 VAL HA 1 26 MET H 4.000 . 6.500 3.321 2.989 3.677 . 0 0 "[ . 1 .]" 1
514 1 22 VAL HA 1 26 MET HB3 4.000 . 6.500 5.189 4.846 5.892 . 0 0 "[ . 1 .]" 1
515 1 22 VAL HA 1 27 ALA H 4.000 . 6.500 5.968 5.674 6.298 . 0 0 "[ . 1 .]" 1
516 1 22 VAL HA 1 29 SER HB3 4.000 . 6.500 6.589 6.535 6.660 0.160 7 0 "[ . 1 .]" 1
517 1 22 VAL HA 1 29 SER HB2 4.000 . 6.500 5.691 5.340 6.344 . 0 0 "[ . 1 .]" 1
518 1 22 VAL MG1 1 23 LEU HB3 4.000 . 6.500 5.614 5.140 6.364 . 0 0 "[ . 1 .]" 1
519 1 22 VAL MG1 1 23 LEU HG 4.000 . 6.500 5.683 5.370 6.051 . 0 0 "[ . 1 .]" 1
520 1 22 VAL MG1 1 25 LEU H 4.000 . 6.500 4.167 3.805 4.637 . 0 0 "[ . 1 .]" 1
521 1 22 VAL MG1 1 25 LEU HB2 4.000 . 6.500 2.802 2.090 4.133 . 0 0 "[ . 1 .]" 1
522 1 22 VAL MG1 1 25 LEU HB3 4.000 . 6.500 3.171 2.587 3.721 . 0 0 "[ . 1 .]" 1
523 1 22 VAL MG1 1 26 MET H 4.000 . 6.500 2.922 2.255 3.263 . 0 0 "[ . 1 .]" 1
524 1 22 VAL MG1 1 26 MET HB2 4.000 . 6.500 2.684 2.118 3.093 . 0 0 "[ . 1 .]" 1
525 1 22 VAL MG1 1 26 MET HB3 4.000 . 6.500 3.879 3.405 4.465 . 0 0 "[ . 1 .]" 1
526 1 22 VAL MG1 1 26 MET HG2 4.000 . 6.500 4.855 3.909 5.514 . 0 0 "[ . 1 .]" 1
527 1 22 VAL MG1 1 26 MET HG3 4.000 . 6.500 4.482 3.701 4.873 . 0 0 "[ . 1 .]" 1
528 1 22 VAL MG1 1 27 ALA H 4.000 . 6.500 5.249 4.710 5.604 . 0 0 "[ . 1 .]" 1
529 1 22 VAL MG1 1 29 SER HB3 4.000 . 6.500 5.102 4.573 5.493 . 0 0 "[ . 1 .]" 1
530 1 22 VAL MG1 1 29 SER HB2 4.000 . 6.500 4.604 3.921 5.532 . 0 0 "[ . 1 .]" 1
531 1 22 VAL MG2 1 23 LEU HA 4.000 . 6.500 5.395 5.235 5.519 . 0 0 "[ . 1 .]" 1
532 1 22 VAL MG2 1 24 ALA H 4.000 . 6.500 5.498 5.189 5.877 . 0 0 "[ . 1 .]" 1
533 1 22 VAL MG2 1 25 LEU H 4.000 . 6.500 5.009 4.611 5.224 . 0 0 "[ . 1 .]" 1
534 1 23 LEU H 1 23 LEU HB3 4.000 . 5.300 2.775 2.411 3.609 . 0 0 "[ . 1 .]" 1
535 1 23 LEU H 1 23 LEU HB2 4.000 . 6.500 3.529 2.385 3.653 . 0 0 "[ . 1 .]" 1
536 1 23 LEU H 1 23 LEU HG 4.000 . 6.500 2.117 1.650 2.545 . 0 0 "[ . 1 .]" 1
537 1 23 LEU H 1 23 LEU MD1 4.000 . 6.500 3.448 1.881 3.916 . 0 0 "[ . 1 .]" 1
538 1 23 LEU H 1 23 LEU MD2 4.000 . 6.500 3.171 2.689 3.683 . 0 0 "[ . 1 .]" 1
539 1 23 LEU HA 1 23 LEU HG 4.000 . 6.500 3.505 2.735 3.671 . 0 0 "[ . 1 .]" 1
540 1 23 LEU HA 1 23 LEU MD1 4.000 . 6.500 3.556 3.309 3.796 . 0 0 "[ . 1 .]" 1
541 1 23 LEU HA 1 23 LEU MD2 4.000 . 6.500 3.909 2.038 4.129 . 0 0 "[ . 1 .]" 1
542 1 23 LEU HA 1 24 ALA MB 4.000 . 6.500 5.049 5.018 5.070 . 0 0 "[ . 1 .]" 1
543 1 23 LEU HA 1 26 MET HA 4.000 . 6.500 5.026 4.727 5.458 . 0 0 "[ . 1 .]" 1
544 1 23 LEU HA 1 26 MET HB2 4.000 . 6.500 3.209 2.592 3.722 . 0 0 "[ . 1 .]" 1
545 1 23 LEU HA 1 26 MET HB3 4.000 . 6.500 2.205 1.891 2.613 . 0 0 "[ . 1 .]" 1
546 1 23 LEU HA 1 26 MET HG2 4.000 . 6.500 4.912 4.291 5.461 . 0 0 "[ . 1 .]" 1
547 1 23 LEU HA 1 26 MET HG3 4.000 . 6.500 4.355 3.737 5.193 . 0 0 "[ . 1 .]" 1
548 1 23 LEU HA 1 27 ALA HA 4.000 . 6.500 5.922 5.573 6.223 . 0 0 "[ . 1 .]" 1
549 1 23 LEU HA 1 28 HIS H 4.000 . 6.500 6.152 5.807 6.522 0.022 9 0 "[ . 1 .]" 1
550 1 23 LEU HB2 1 23 LEU HG 4.000 2.650 6.500 2.965 2.561 3.031 0.089 2 0 "[ . 1 .]" 1
551 1 23 LEU HB3 1 24 ALA MB 4.000 . 6.500 5.304 4.369 5.516 . 0 0 "[ . 1 .]" 1
552 1 23 LEU HB2 1 24 ALA MB 4.000 . 6.500 4.772 3.959 5.265 . 0 0 "[ . 1 .]" 1
553 1 23 LEU HB3 1 26 MET H 4.000 . 6.500 5.514 5.237 5.883 . 0 0 "[ . 1 .]" 1
554 1 23 LEU HB2 1 26 MET H 4.000 . 6.500 5.409 5.050 5.899 . 0 0 "[ . 1 .]" 1
555 1 23 LEU HB3 1 26 MET HB2 4.000 . 6.500 5.470 4.727 6.185 . 0 0 "[ . 1 .]" 1
556 1 23 LEU HB2 1 26 MET HB2 4.000 . 6.500 5.661 5.070 6.515 0.015 2 0 "[ . 1 .]" 1
557 1 23 LEU HB3 1 26 MET HB3 4.000 . 6.500 4.570 4.186 5.120 . 0 0 "[ . 1 .]" 1
558 1 23 LEU HB2 1 26 MET HB3 4.000 . 6.500 4.373 3.903 5.350 . 0 0 "[ . 1 .]" 1
559 1 23 LEU HB3 1 27 ALA H 4.000 . 6.500 5.690 4.767 6.301 . 0 0 "[ . 1 .]" 1
560 1 23 LEU HB2 1 27 ALA H 4.000 . 6.500 4.917 4.525 5.601 . 0 0 "[ . 1 .]" 1
561 1 23 LEU HG 1 24 ALA MB 4.000 . 6.500 3.788 3.215 5.943 . 0 0 "[ . 1 .]" 1
562 1 23 LEU HG 1 25 LEU H 4.000 . 6.500 4.578 4.029 6.218 . 0 0 "[ . 1 .]" 1
563 1 23 LEU HG 1 26 MET HB2 4.000 . 6.500 6.281 5.574 6.533 0.033 7 0 "[ . 1 .]" 1
564 1 23 LEU HG 1 26 MET HB3 4.000 . 6.500 5.474 5.181 5.830 . 0 0 "[ . 1 .]" 1
565 1 23 LEU HG 1 27 ALA H 4.000 . 6.500 5.951 5.379 6.517 0.017 8 0 "[ . 1 .]" 1
566 1 23 LEU MD1 1 24 ALA MB 4.000 . 6.500 2.700 2.279 5.103 . 0 0 "[ . 1 .]" 1
567 1 23 LEU MD1 1 26 MET H 4.000 . 6.500 5.162 4.677 6.412 . 0 0 "[ . 1 .]" 1
568 1 23 LEU MD1 1 27 ALA H 4.000 . 6.500 4.683 3.919 6.385 . 0 0 "[ . 1 .]" 1
569 1 23 LEU MD2 1 24 ALA H 4.000 . 6.500 3.754 3.522 4.515 . 0 0 "[ . 1 .]" 1
570 1 23 LEU MD2 1 24 ALA MB 4.000 . 6.500 4.399 4.052 5.496 . 0 0 "[ . 1 .]" 1
571 1 23 LEU MD2 1 25 LEU H 4.000 . 6.500 5.732 5.439 6.109 . 0 0 "[ . 1 .]" 1
572 1 24 ALA MB 1 25 LEU HB2 4.000 . 6.500 4.258 3.994 4.473 . 0 0 "[ . 1 .]" 1
573 1 24 ALA MB 1 25 LEU HB3 4.000 . 6.500 5.246 4.898 5.324 . 0 0 "[ . 1 .]" 1
574 1 24 ALA MB 1 25 LEU MD1 4.000 . 6.500 2.878 2.271 4.650 . 0 0 "[ . 1 .]" 1
575 1 24 ALA MB 1 26 MET H 4.000 . 6.500 4.563 4.320 4.831 . 0 0 "[ . 1 .]" 1
576 1 24 ALA MB 1 27 ALA H 4.000 . 6.500 4.693 4.438 5.220 . 0 0 "[ . 1 .]" 1
577 1 24 ALA MB 1 28 HIS H 4.000 . 6.500 5.243 4.235 6.070 . 0 0 "[ . 1 .]" 1
578 1 24 ALA MB 1 28 HIS HB3 4.000 . 6.500 4.994 3.667 6.445 . 0 0 "[ . 1 .]" 1
579 1 24 ALA MB 1 28 HIS HD2 4.000 . 6.500 5.699 4.380 6.553 0.053 6 0 "[ . 1 .]" 1
580 1 24 ALA MB 1 29 SER H 4.000 . 6.500 5.536 4.604 6.330 . 0 0 "[ . 1 .]" 1
581 1 25 LEU HB2 1 26 MET H 4.000 . 6.500 2.630 2.389 3.480 . 0 0 "[ . 1 .]" 1
582 1 25 LEU HB2 1 26 MET HA 4.000 . 6.500 4.669 4.380 5.516 . 0 0 "[ . 1 .]" 1
583 1 25 LEU HB2 1 26 MET HB3 4.000 . 6.500 5.073 4.824 5.822 . 0 0 "[ . 1 .]" 1
584 1 25 LEU HB2 1 27 ALA H 4.000 . 6.500 5.141 4.800 5.779 . 0 0 "[ . 1 .]" 1
585 1 25 LEU HB2 1 28 HIS H 4.000 . 6.500 5.412 5.195 6.100 . 0 0 "[ . 1 .]" 1
586 1 25 LEU HB2 1 28 HIS HB3 4.000 . 6.500 6.066 5.456 6.577 0.077 13 0 "[ . 1 .]" 1
587 1 25 LEU HB2 1 29 SER HB3 4.000 . 6.500 5.021 4.193 6.261 . 0 0 "[ . 1 .]" 1
588 1 25 LEU HB2 1 29 SER HB2 4.000 . 6.500 4.016 3.458 4.921 . 0 0 "[ . 1 .]" 1
589 1 25 LEU HB3 1 26 MET H 4.000 . 6.500 3.101 2.349 3.440 . 0 0 "[ . 1 .]" 1
590 1 25 LEU HB3 1 26 MET HA 4.000 . 6.500 4.101 3.832 4.253 . 0 0 "[ . 1 .]" 1
591 1 25 LEU HB3 1 26 MET HG2 4.000 . 6.500 6.474 6.158 6.561 0.061 3 0 "[ . 1 .]" 1
592 1 25 LEU HB3 1 28 HIS H 4.000 . 6.500 4.919 4.639 5.442 . 0 0 "[ . 1 .]" 1
593 1 25 LEU HB3 1 28 HIS HB3 4.000 . 6.500 5.454 5.034 5.999 . 0 0 "[ . 1 .]" 1
594 1 25 LEU HB3 1 29 SER HB3 4.000 . 6.500 3.373 2.490 4.867 . 0 0 "[ . 1 .]" 1
595 1 25 LEU HB3 1 29 SER HB2 4.000 . 5.300 2.542 1.895 3.859 . 0 0 "[ . 1 .]" 1
596 1 25 LEU MD1 1 26 MET H 4.000 . 6.500 4.086 3.605 4.750 . 0 0 "[ . 1 .]" 1
597 1 25 LEU MD1 1 28 HIS H 4.000 . 6.500 5.494 4.708 6.206 . 0 0 "[ . 1 .]" 1
598 1 25 LEU MD1 1 28 HIS HB2 4.000 . 6.500 5.677 5.008 6.274 . 0 0 "[ . 1 .]" 1
599 1 25 LEU MD1 1 29 SER H 4.000 . 6.500 4.711 3.432 5.627 . 0 0 "[ . 1 .]" 1
600 1 26 MET H 1 26 MET HB2 4.000 . 6.500 2.569 2.382 2.733 . 0 0 "[ . 1 .]" 1
601 1 26 MET H 1 26 MET HB3 4.000 . 6.500 2.519 2.372 2.718 . 0 0 "[ . 1 .]" 1
602 1 26 MET H 1 26 MET HG2 4.000 . 6.500 4.416 4.340 4.468 . 0 0 "[ . 1 .]" 1
603 1 26 MET H 1 26 MET HG3 4.000 . 6.500 4.615 4.501 4.683 . 0 0 "[ . 1 .]" 1
604 1 26 MET H 1 27 ALA H 4.000 . 6.500 2.866 2.686 3.058 . 0 0 "[ . 1 .]" 1
605 1 26 MET H 1 27 ALA MB 4.000 . 6.500 4.550 4.356 4.733 . 0 0 "[ . 1 .]" 1
606 1 26 MET H 1 28 HIS H 4.000 . 6.500 3.981 3.712 4.368 . 0 0 "[ . 1 .]" 1
607 1 26 MET H 1 29 SER H 4.000 . 6.500 4.466 4.268 4.680 . 0 0 "[ . 1 .]" 1
608 1 26 MET H 1 29 SER HB3 4.000 . 6.500 5.401 4.719 5.952 . 0 0 "[ . 1 .]" 1
609 1 26 MET H 1 29 SER HB2 4.000 . 6.500 4.232 3.656 4.785 . 0 0 "[ . 1 .]" 1
610 1 26 MET HA 1 26 MET HG2 4.000 . 6.500 2.554 2.314 3.408 . 0 0 "[ . 1 .]" 1
611 1 26 MET HA 1 26 MET HG3 4.000 . 6.500 3.366 2.595 3.638 . 0 0 "[ . 1 .]" 1
612 1 26 MET HA 1 27 ALA H 4.000 . 6.500 3.567 3.530 3.588 . 0 0 "[ . 1 .]" 1
613 1 26 MET HA 1 27 ALA MB 4.000 . 6.500 5.041 4.999 5.065 . 0 0 "[ . 1 .]" 1
614 1 26 MET HA 1 28 HIS H 4.000 . 6.500 3.751 3.299 4.340 . 0 0 "[ . 1 .]" 1
615 1 26 MET HA 1 28 HIS HB3 4.000 . 6.500 6.125 5.473 6.507 0.007 7 0 "[ . 1 .]" 1
616 1 26 MET HA 1 30 LEU MD1 4.000 . 6.500 3.171 2.036 4.580 . 0 0 "[ . 1 .]" 1
617 1 26 MET HA 1 31 ALA H 4.000 . 6.500 4.535 3.682 5.770 . 0 0 "[ . 1 .]" 1
618 1 26 MET HB2 1 27 ALA H 4.000 . 6.500 3.856 3.542 4.011 . 0 0 "[ . 1 .]" 1
619 1 26 MET HB2 1 27 ALA MB 4.000 . 6.500 5.294 5.065 5.459 . 0 0 "[ . 1 .]" 1
620 1 26 MET HB2 1 28 HIS H 4.000 . 6.500 5.374 5.062 5.697 . 0 0 "[ . 1 .]" 1
621 1 26 MET HB2 1 29 SER H 4.000 . 6.500 6.154 5.601 6.570 0.070 3 0 "[ . 1 .]" 1
622 1 26 MET HB2 1 30 LEU H 4.000 . 6.500 5.049 4.569 5.274 . 0 0 "[ . 1 .]" 1
623 1 26 MET HB2 1 30 LEU HB2 4.000 . 6.500 4.126 3.612 5.475 . 0 0 "[ . 1 .]" 1
624 1 26 MET HB2 1 30 LEU HB3 4.000 . 6.500 4.881 4.127 5.696 . 0 0 "[ . 1 .]" 1
625 1 26 MET HB3 1 27 ALA H 4.000 . 6.500 2.502 2.140 2.768 . 0 0 "[ . 1 .]" 1
626 1 26 MET HB3 1 27 ALA MB 4.000 . 6.500 3.922 3.652 4.133 . 0 0 "[ . 1 .]" 1
627 1 26 MET HB3 1 28 HIS H 4.000 . 6.500 4.681 4.472 4.800 . 0 0 "[ . 1 .]" 1
628 1 26 MET HB3 1 29 SER H 4.000 . 6.500 6.010 5.630 6.392 . 0 0 "[ . 1 .]" 1
629 1 26 MET HB3 1 30 LEU H 4.000 . 6.500 5.263 4.960 5.613 . 0 0 "[ . 1 .]" 1
630 1 26 MET HB3 1 30 LEU HB3 4.000 . 6.500 5.332 4.645 6.280 . 0 0 "[ . 1 .]" 1
631 1 26 MET HB3 1 30 LEU MD1 4.000 . 6.500 5.093 4.227 6.555 0.055 8 0 "[ . 1 .]" 1
632 1 26 MET HG2 1 27 ALA H 4.000 . 6.500 4.059 3.130 4.607 . 0 0 "[ . 1 .]" 1
633 1 26 MET HG2 1 27 ALA MB 4.000 . 6.500 4.932 3.948 5.700 . 0 0 "[ . 1 .]" 1
634 1 26 MET HG2 1 28 HIS H 4.000 . 6.500 5.097 4.511 5.937 . 0 0 "[ . 1 .]" 1
635 1 26 MET HG2 1 30 LEU MD2 4.000 . 6.500 3.383 2.058 4.344 . 0 0 "[ . 1 .]" 1
636 1 26 MET HG3 1 27 ALA H 4.000 . 6.500 4.696 4.179 5.008 . 0 0 "[ . 1 .]" 1
637 1 26 MET HG3 1 28 HIS H 4.000 . 6.500 6.201 5.267 6.607 0.107 2 0 "[ . 1 .]" 1
638 1 27 ALA H 1 28 HIS H 4.000 . 6.500 2.701 2.481 3.288 . 0 0 "[ . 1 .]" 1
639 1 27 ALA H 1 28 HIS HA 4.000 . 6.500 5.329 5.173 5.527 . 0 0 "[ . 1 .]" 1
640 1 27 ALA H 1 28 HIS HB2 4.000 . 6.500 4.921 4.342 5.775 . 0 0 "[ . 1 .]" 1
641 1 27 ALA H 1 28 HIS HB3 4.000 . 6.500 5.164 4.221 6.134 . 0 0 "[ . 1 .]" 1
642 1 27 ALA H 1 29 SER H 4.000 . 6.500 4.532 4.275 4.983 . 0 0 "[ . 1 .]" 1
643 1 27 ALA H 1 30 LEU HB3 4.000 . 6.500 5.630 4.936 6.518 0.018 11 0 "[ . 1 .]" 1
644 1 27 ALA H 1 31 ALA HA 4.000 . 6.500 5.810 4.968 6.507 0.007 14 0 "[ . 1 .]" 1
645 1 27 ALA HA 1 29 SER H 4.000 . 6.500 5.542 5.226 5.951 . 0 0 "[ . 1 .]" 1
646 1 27 ALA HA 1 30 LEU MD2 4.000 . 6.500 5.938 5.021 6.566 0.066 14 0 "[ . 1 .]" 1
647 1 27 ALA HA 1 31 ALA MB 4.000 . 6.500 4.682 3.569 5.702 . 0 0 "[ . 1 .]" 1
648 1 27 ALA MB 1 28 HIS HB2 4.000 . 6.500 3.727 3.373 4.483 . 0 0 "[ . 1 .]" 1
649 1 27 ALA MB 1 28 HIS HB3 4.000 . 6.500 4.551 3.848 5.320 . 0 0 "[ . 1 .]" 1
650 1 27 ALA MB 1 28 HIS HD2 4.000 . 6.500 5.556 3.586 6.346 . 0 0 "[ . 1 .]" 1
651 1 28 HIS H 1 28 HIS HB2 4.000 . 6.500 3.022 2.534 3.745 . 0 0 "[ . 1 .]" 1
652 1 28 HIS H 1 28 HIS HB3 4.000 . 6.500 2.979 2.453 3.749 . 0 0 "[ . 1 .]" 1
653 1 28 HIS H 1 28 HIS HD2 4.000 . 6.500 5.334 4.204 5.832 . 0 0 "[ . 1 .]" 1
654 1 28 HIS H 1 29 SER H 4.000 . 6.500 2.337 1.948 2.667 . 0 0 "[ . 1 .]" 1
655 1 28 HIS H 1 29 SER HA 4.000 . 6.500 4.829 4.644 5.116 . 0 0 "[ . 1 .]" 1
656 1 28 HIS H 1 31 ALA HA 4.000 . 6.500 4.449 3.251 5.013 . 0 0 "[ . 1 .]" 1
657 1 28 HIS H 1 31 ALA MB 4.000 . 6.500 4.381 3.477 5.041 . 0 0 "[ . 1 .]" 1
658 1 28 HIS HA 1 28 HIS HD2 4.000 . 6.500 4.287 3.225 4.860 . 0 0 "[ . 1 .]" 1
659 1 28 HIS HA 1 29 SER H 4.000 . 6.500 3.571 3.544 3.589 . 0 0 "[ . 1 .]" 1
660 1 28 HIS HA 1 31 ALA MB 4.000 . 6.500 2.646 2.017 3.393 . 0 0 "[ . 1 .]" 1
661 1 28 HIS HB2 1 28 HIS HD2 4.000 . 6.500 3.174 2.764 3.902 . 0 0 "[ . 1 .]" 1
662 1 28 HIS HB2 1 29 SER H 4.000 . 6.500 3.372 2.176 3.911 . 0 0 "[ . 1 .]" 1
663 1 28 HIS HB2 1 31 ALA HA 4.000 . 6.500 5.919 4.956 6.448 . 0 0 "[ . 1 .]" 1
664 1 28 HIS HB3 1 28 HIS HD2 4.000 . 6.500 3.271 2.756 3.975 . 0 0 "[ . 1 .]" 1
665 1 28 HIS HB3 1 29 SER H 4.000 . 6.500 2.297 1.851 3.110 . 0 0 "[ . 1 .]" 1
666 1 28 HIS HB3 1 29 SER HB3 4.000 . 6.500 5.455 5.118 5.919 . 0 0 "[ . 1 .]" 1
667 1 28 HIS HB3 1 29 SER HB2 4.000 . 6.500 4.501 3.658 5.169 . 0 0 "[ . 1 .]" 1
668 1 28 HIS HB3 1 31 ALA HA 4.000 . 6.500 6.207 5.276 6.555 0.055 10 0 "[ . 1 .]" 1
669 1 29 SER H 1 30 LEU H 4.000 . 6.500 2.735 2.569 2.859 . 0 0 "[ . 1 .]" 1
670 1 29 SER H 1 30 LEU HA 4.000 . 6.500 5.380 5.262 5.458 . 0 0 "[ . 1 .]" 1
671 1 29 SER H 1 30 LEU HB3 4.000 . 6.500 5.814 4.855 6.480 . 0 0 "[ . 1 .]" 1
672 1 29 SER H 1 31 ALA MB 4.000 . 6.500 4.778 4.436 5.213 . 0 0 "[ . 1 .]" 1
673 1 29 SER HB3 1 30 LEU HA 4.000 . 6.500 4.545 3.966 5.030 . 0 0 "[ . 1 .]" 1
674 1 29 SER HB2 1 30 LEU HA 4.000 . 6.500 4.904 4.259 5.685 . 0 0 "[ . 1 .]" 1
675 1 29 SER HB3 1 30 LEU HB3 4.000 . 6.500 5.772 4.825 6.533 0.033 1 0 "[ . 1 .]" 1
676 1 29 SER HB2 1 30 LEU HB3 4.000 . 6.500 5.557 3.945 6.571 0.071 13 0 "[ . 1 .]" 1
677 1 30 LEU H 1 30 LEU HB2 4.000 . 6.500 2.515 2.161 3.192 . 0 0 "[ . 1 .]" 1
678 1 30 LEU H 1 30 LEU HB3 4.000 . 6.500 3.178 2.163 3.663 . 0 0 "[ . 1 .]" 1
679 1 30 LEU H 1 30 LEU HG 4.000 . 6.500 4.157 3.492 4.530 . 0 0 "[ . 1 .]" 1
680 1 30 LEU H 1 30 LEU MD1 4.000 . 6.500 3.646 2.095 4.461 . 0 0 "[ . 1 .]" 1
681 1 30 LEU H 1 30 LEU MD2 4.000 . 6.500 4.337 4.019 4.542 . 0 0 "[ . 1 .]" 1
682 1 30 LEU HA 1 30 LEU MD1 4.000 . 6.500 3.035 2.262 3.688 . 0 0 "[ . 1 .]" 1
683 1 30 LEU HA 1 30 LEU MD2 4.000 . 6.500 3.194 2.183 3.993 . 0 0 "[ . 1 .]" 1
684 1 30 LEU HA 1 31 ALA HA 4.000 . 6.500 5.095 4.727 5.397 . 0 0 "[ . 1 .]" 1
685 1 30 LEU MD1 1 31 ALA H 4.000 . 6.500 4.728 3.847 5.632 . 0 0 "[ . 1 .]" 1
686 1 30 LEU MD2 1 32 THR MG 4.000 . 6.500 3.807 1.892 6.245 . 0 0 "[ . 1 .]" 1
687 1 31 ALA H 1 32 THR MG 4.000 . 6.500 5.221 4.149 6.506 0.006 15 0 "[ . 1 .]" 1
688 1 31 ALA HA 1 32 THR MG 4.000 . 6.500 4.654 3.546 5.734 . 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 22
_Distance_constraint_stats_list.Viol_count 140
_Distance_constraint_stats_list.Viol_total 531.974
_Distance_constraint_stats_list.Viol_max 0.913
_Distance_constraint_stats_list.Viol_rms 0.1685
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1075
_Distance_constraint_stats_list.Viol_average_violations_only 0.2533
_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 LEU 2.040 0.331 1 0 "[ . 1 .]"
1 9 GLY 3.206 0.308 4 0 "[ . 1 .]"
1 10 LEU 3.370 0.388 7 0 "[ . 1 .]"
1 11 VAL 3.684 0.364 1 0 "[ . 1 .]"
1 12 LEU 4.622 0.331 1 0 "[ . 1 .]"
1 13 ALA 12.107 0.814 8 3 "[*- . + 1 .]"
1 14 VAL 3.672 0.388 7 0 "[ . 1 .]"
1 15 LEU 3.684 0.364 1 0 "[ . 1 .]"
1 16 LEU 2.582 0.304 5 0 "[ . 1 .]"
1 17 ILE 8.901 0.814 8 3 "[*- . + 1 .]"
1 18 CYS 0.302 0.302 7 0 "[ . 1 .]"
1 23 LEU 0.949 0.265 12 0 "[ . 1 .]"
1 24 ALA 3.585 0.694 14 2 "[ . - +.]"
1 25 LEU 2.411 0.439 1 0 "[ . 1 .]"
1 26 MET 4.435 0.913 8 1 "[ . + 1 .]"
1 27 ALA 0.949 0.265 12 0 "[ . 1 .]"
1 28 HIS 3.585 0.694 14 2 "[ . - +.]"
1 29 SER 2.411 0.439 1 0 "[ . 1 .]"
1 30 LEU 4.435 0.913 8 1 "[ . + 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 8 LEU O 1 12 LEU N 3.000 2.300 3.500 2.705 2.451 3.246 . 0 0 "[ . 1 .]" 2
2 1 8 LEU O 1 12 LEU H 2.500 . 3.000 1.740 1.469 2.310 0.331 1 0 "[ . 1 .]" 2
3 1 9 GLY O 1 13 ALA N 3.000 2.300 3.500 2.554 2.439 2.822 . 0 0 "[ . 1 .]" 2
4 1 9 GLY O 1 13 ALA H 2.500 . 3.000 1.592 1.492 1.881 0.308 4 0 "[ . 1 .]" 2
5 1 10 LEU O 1 14 VAL N 3.000 2.300 3.500 2.491 2.384 2.569 . 0 0 "[ . 1 .]" 2
6 1 10 LEU O 1 14 VAL H 2.500 . 3.000 1.575 1.412 1.697 0.388 7 0 "[ . 1 .]" 2
7 1 11 VAL O 1 15 LEU N 3.000 2.300 3.500 2.518 2.398 2.657 . 0 0 "[ . 1 .]" 2
8 1 11 VAL O 1 15 LEU H 2.500 . 3.000 1.554 1.436 1.717 0.364 1 0 "[ . 1 .]" 2
9 1 12 LEU O 1 16 LEU N 3.000 2.300 3.500 2.656 2.460 3.567 0.067 7 0 "[ . 1 .]" 2
10 1 12 LEU O 1 16 LEU H 2.500 . 3.000 1.736 1.496 3.133 0.304 5 0 "[ . 1 .]" 2
11 1 13 ALA O 1 17 ILE N 3.000 2.300 3.500 3.793 3.322 4.314 0.814 8 3 "[*- . + 1 .]" 2
12 1 13 ALA O 1 17 ILE H 2.500 . 3.000 3.262 2.688 3.750 0.750 8 3 "[*- . + 1 .]" 2
13 1 14 VAL O 1 18 CYS N 3.000 2.300 3.500 2.703 2.367 2.937 . 0 0 "[ . 1 .]" 2
14 1 14 VAL O 1 18 CYS H 2.500 . 3.000 2.396 1.498 2.705 0.302 7 0 "[ . 1 .]" 2
15 1 23 LEU O 1 27 ALA N 3.000 2.300 3.500 2.758 2.515 3.391 . 0 0 "[ . 1 .]" 2
16 1 23 LEU O 1 27 ALA H 2.500 . 3.000 1.822 1.535 2.495 0.265 12 0 "[ . 1 .]" 2
17 1 24 ALA O 1 28 HIS N 3.000 2.300 3.500 3.217 2.499 3.897 0.397 10 0 "[ . 1 .]" 2
18 1 24 ALA O 1 28 HIS H 2.500 . 3.000 2.747 1.588 3.694 0.694 14 2 "[ . - +.]" 2
19 1 25 LEU O 1 29 SER N 3.000 2.300 3.500 2.362 2.275 2.484 0.025 4 0 "[ . 1 .]" 2
20 1 25 LEU O 1 29 SER H 2.500 . 3.000 1.781 1.361 2.216 0.439 1 0 "[ . 1 .]" 2
21 1 26 MET O 1 30 LEU N 3.000 2.300 3.500 3.284 2.586 4.360 0.860 8 1 "[ . + 1 .]" 2
22 1 26 MET O 1 30 LEU H 2.500 . 3.000 2.609 1.742 3.913 0.913 8 1 "[ . + 1 .]" 2
stop_
save_
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