NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399485 |
1u5m   |
6299 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u5m
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 249
_Distance_constraint_stats_list.Viol_count 390
_Distance_constraint_stats_list.Viol_total 510.665
_Distance_constraint_stats_list.Viol_max 0.691
_Distance_constraint_stats_list.Viol_rms 0.0316
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0655
_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 PHE 0.001 0.001 16 0 "[ . 1 . 2]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 1.207 0.130 5 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.998 0.130 5 0 "[ . 1 . 2]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 1.334 0.382 11 0 "[ . 1 . 2]"
1 17 TYR 0.211 0.062 6 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.084 0.044 5 0 "[ . 1 . 2]"
1 21 ASP 0.478 0.067 6 0 "[ . 1 . 2]"
1 22 VAL 0.185 0.026 1 0 "[ . 1 . 2]"
1 23 TRP 1.408 0.067 6 0 "[ . 1 . 2]"
1 24 LYS 0.143 0.032 9 0 "[ . 1 . 2]"
1 25 PRO 0.143 0.032 9 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 0.943 0.492 3 0 "[ . 1 . 2]"
1 29 ARG 0.085 0.033 10 0 "[ . 1 . 2]"
1 30 ILE 1.198 0.691 19 1 "[ . 1 . +2]"
1 31 CYS 0.378 0.240 13 0 "[ . 1 . 2]"
1 32 VAL 0.520 0.068 10 0 "[ . 1 . 2]"
1 33 CYS 0.317 0.068 10 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 CYS 0.471 0.240 13 0 "[ . 1 . 2]"
1 41 ASP 1.198 0.691 19 1 "[ . 1 . +2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.247 0.068 14 0 "[ . 1 . 2]"
1 44 ILE 0.634 0.050 8 0 "[ . 1 . 2]"
1 46 GLU 0.163 0.163 7 0 "[ . 1 . 2]"
1 48 VAL 0.173 0.088 17 0 "[ . 1 . 2]"
1 51 CYS 0.453 0.280 1 0 "[ . 1 . 2]"
1 52 LEU 2.192 0.318 4 0 "[ . 1 . 2]"
1 53 SER 2.037 0.240 15 0 "[ . 1 . 2]"
1 54 PRO 1.097 0.055 4 0 "[ . 1 . 2]"
1 56 ILE 2.869 0.236 6 0 "[ . 1 . 2]"
1 57 PRO 4.841 0.185 14 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 1.165 0.223 9 0 "[ . 1 . 2]"
1 61 CYS 0.926 0.492 3 0 "[ . 1 . 2]"
1 62 CYS 0.138 0.033 5 0 "[ . 1 . 2]"
1 63 PRO 3.398 0.236 6 0 "[ . 1 . 2]"
1 64 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 CYS 0.298 0.280 1 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 2.564 0.470 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 PHE HA 1 4 PHE QD . . 3.630 2.880 2.352 3.631 0.001 16 0 "[ . 1 . 2]" 1
2 1 5 GLN HA 1 5 GLN HG2 . . 3.940 3.049 2.191 3.823 . 0 0 "[ . 1 . 2]" 1
3 1 6 GLU HA 1 6 GLU QG . . 3.570 2.297 1.974 3.363 . 0 0 "[ . 1 . 2]" 1
4 1 6 GLU HB2 1 6 GLU QG . . 2.800 2.354 2.179 2.571 . 0 0 "[ . 1 . 2]" 1
5 1 7 ALA HA 1 7 ALA MB . . 2.530 2.135 2.108 2.152 . 0 0 "[ . 1 . 2]" 1
6 1 10 CYS HA 1 38 VAL QG . . 3.760 3.709 3.418 3.759 . 0 0 "[ . 1 . 2]" 1
7 1 10 CYS HB2 1 38 VAL QG . . 3.730 3.006 1.929 3.674 . 0 0 "[ . 1 . 2]" 1
8 1 10 CYS HB3 1 23 TRP HH2 . . 4.670 3.468 2.745 4.599 . 0 0 "[ . 1 . 2]" 1
9 1 10 CYS HB3 1 38 VAL QG . . 3.290 2.292 1.919 2.693 . 0 0 "[ . 1 . 2]" 1
10 1 11 VAL HA 1 11 VAL QG . . 3.070 2.147 2.035 2.429 . 0 0 "[ . 1 . 2]" 1
11 1 11 VAL HA 1 14 GLY HA2 . . 4.440 4.490 4.449 4.570 0.130 5 0 "[ . 1 . 2]" 1
12 1 11 VAL HA 1 16 ARG HA . . 3.190 3.189 3.091 3.227 0.037 5 0 "[ . 1 . 2]" 1
13 1 11 VAL HA 1 17 TYR QD . . 4.530 4.433 4.135 4.560 0.030 5 0 "[ . 1 . 2]" 1
14 1 11 VAL QG 1 12 GLN HA . . 4.140 3.623 3.465 3.802 . 0 0 "[ . 1 . 2]" 1
15 1 11 VAL QG 1 14 GLY HA2 . . 4.420 2.645 2.088 3.817 . 0 0 "[ . 1 . 2]" 1
16 1 12 GLN HA 1 12 GLN QG . . 3.440 2.360 1.998 3.134 . 0 0 "[ . 1 . 2]" 1
17 1 12 GLN QB 1 17 TYR QD . . 4.540 2.411 2.008 2.874 . 0 0 "[ . 1 . 2]" 1
18 1 12 GLN QB 1 17 TYR QE . . 3.510 2.489 2.127 3.420 . 0 0 "[ . 1 . 2]" 1
19 1 12 GLN QB 1 23 TRP HZ2 . . 4.150 3.719 2.667 4.013 . 0 0 "[ . 1 . 2]" 1
20 1 12 GLN QB 1 38 VAL QG . . 4.340 3.593 2.469 3.965 . 0 0 "[ . 1 . 2]" 1
21 1 12 GLN QG 1 23 TRP HZ2 . . 4.230 2.531 1.985 4.082 . 0 0 "[ . 1 . 2]" 1
22 1 12 GLN QG 1 38 VAL QG . . 4.160 2.943 2.641 3.718 . 0 0 "[ . 1 . 2]" 1
23 1 13 ASP HA 1 13 ASP HB3 . . 3.100 2.917 2.691 3.015 . 0 0 "[ . 1 . 2]" 1
24 1 15 GLN HA 1 15 GLN QG . . 3.320 2.181 2.020 2.427 . 0 0 "[ . 1 . 2]" 1
25 1 15 GLN HB2 1 17 TYR QE . . 4.010 2.200 1.996 3.506 . 0 0 "[ . 1 . 2]" 1
26 1 15 GLN HB3 1 17 TYR QE . . 4.130 2.235 1.998 2.876 . 0 0 "[ . 1 . 2]" 1
27 1 16 ARG HA 1 16 ARG HG3 . . 3.830 3.283 2.186 4.212 0.382 11 0 "[ . 1 . 2]" 1
28 1 16 ARG HA 1 17 TYR QD . . 4.550 4.012 3.695 4.526 . 0 0 "[ . 1 . 2]" 1
29 1 16 ARG HB2 1 16 ARG HD2 . . 4.350 2.836 2.148 3.651 . 0 0 "[ . 1 . 2]" 1
30 1 16 ARG HB2 1 16 ARG HD3 . . 4.280 3.162 2.219 4.251 . 0 0 "[ . 1 . 2]" 1
31 1 16 ARG HB3 1 16 ARG HD2 . . 3.840 2.992 1.998 3.842 0.002 1 0 "[ . 1 . 2]" 1
32 1 16 ARG HB3 1 16 ARG HD3 . . 3.800 2.886 2.008 3.595 . 0 0 "[ . 1 . 2]" 1
33 1 17 TYR HA 1 17 TYR QD . . 3.340 2.761 2.305 3.048 . 0 0 "[ . 1 . 2]" 1
34 1 17 TYR HB2 1 17 TYR QD . . 3.510 2.346 2.292 2.427 . 0 0 "[ . 1 . 2]" 1
35 1 17 TYR HB3 1 17 TYR QD . . 3.350 2.519 2.406 2.686 . 0 0 "[ . 1 . 2]" 1
36 1 17 TYR QD 1 21 ASP HB2 . . 4.470 4.183 3.788 4.532 0.062 6 0 "[ . 1 . 2]" 1
37 1 17 TYR HB3 1 17 TYR QE . . 4.670 4.523 4.494 4.565 . 0 0 "[ . 1 . 2]" 1
38 1 17 TYR QE 1 23 TRP HB2 . . 4.530 4.506 4.267 4.544 0.014 5 0 "[ . 1 . 2]" 1
39 1 17 TYR QE 1 23 TRP HB3 . . 4.430 3.967 3.532 4.212 . 0 0 "[ . 1 . 2]" 1
40 1 19 ASP HB2 1 20 LYS H . . 4.180 2.542 1.927 3.686 . 0 0 "[ . 1 . 2]" 1
41 1 20 LYS HA 1 20 LYS QG . . 3.550 2.273 1.969 3.348 . 0 0 "[ . 1 . 2]" 1
42 1 20 LYS HA 1 32 VAL MG2 . . 3.940 3.494 2.960 3.984 0.044 5 0 "[ . 1 . 2]" 1
43 1 20 LYS H 1 21 ASP H . . 4.230 2.650 2.453 2.790 . 0 0 "[ . 1 . 2]" 1
44 1 21 ASP HA 1 22 VAL H . . 3.430 2.310 2.253 2.471 . 0 0 "[ . 1 . 2]" 1
45 1 21 ASP HB3 1 23 TRP HE3 . . 4.080 3.221 2.797 3.516 . 0 0 "[ . 1 . 2]" 1
46 1 21 ASP HB3 1 23 TRP HZ3 . . 4.150 3.778 2.782 4.158 0.008 16 0 "[ . 1 . 2]" 1
47 1 21 ASP HB2 1 23 TRP HE3 . . 4.500 4.518 4.501 4.567 0.067 6 0 "[ . 1 . 2]" 1
48 1 21 ASP HB2 1 23 TRP HZ3 . . 4.500 4.172 3.839 4.449 . 0 0 "[ . 1 . 2]" 1
49 1 22 VAL HA 1 22 VAL QG . . 3.270 2.180 2.039 2.372 . 0 0 "[ . 1 . 2]" 1
50 1 22 VAL HA 1 23 TRP HE3 . . 3.600 3.277 3.131 3.354 . 0 0 "[ . 1 . 2]" 1
51 1 22 VAL HA 1 23 TRP H . . 3.230 2.281 2.203 2.393 . 0 0 "[ . 1 . 2]" 1
52 1 22 VAL HA 1 23 TRP HZ3 . . 4.350 4.346 4.243 4.376 0.026 1 0 "[ . 1 . 2]" 1
53 1 22 VAL HA 1 32 VAL HA . . 3.470 2.586 2.214 2.834 . 0 0 "[ . 1 . 2]" 1
54 1 22 VAL HA 1 32 VAL MG2 . . 3.800 2.632 1.958 3.308 . 0 0 "[ . 1 . 2]" 1
55 1 22 VAL HA 1 33 CYS H . . 4.510 3.658 3.241 4.017 . 0 0 "[ . 1 . 2]" 1
56 1 22 VAL H 1 22 VAL HB . . 4.010 2.859 2.419 3.758 . 0 0 "[ . 1 . 2]" 1
57 1 22 VAL MG1 1 22 VAL MG2 . . 2.780 2.052 1.913 2.114 . 0 0 "[ . 1 . 2]" 1
58 1 22 VAL QG 1 23 TRP H . . 3.880 2.405 1.945 3.505 . 0 0 "[ . 1 . 2]" 1
59 1 22 VAL QG 1 32 VAL HA . . 3.860 3.184 2.682 3.567 . 0 0 "[ . 1 . 2]" 1
60 1 22 VAL QG 1 32 VAL MG2 . . 3.330 2.081 1.653 2.828 . 0 0 "[ . 1 . 2]" 1
61 1 23 TRP HA 1 23 TRP HD1 . . 4.500 4.357 4.319 4.423 . 0 0 "[ . 1 . 2]" 1
62 1 23 TRP HA 1 23 TRP HE3 . . 4.540 4.326 4.238 4.380 . 0 0 "[ . 1 . 2]" 1
63 1 23 TRP HB2 1 23 TRP HE3 . . 4.000 4.025 3.991 4.061 0.061 4 0 "[ . 1 . 2]" 1
64 1 23 TRP HB3 1 23 TRP HD1 . . 3.990 3.864 3.840 3.882 . 0 0 "[ . 1 . 2]" 1
65 1 23 TRP HB3 1 23 TRP HE3 . . 4.200 2.469 2.430 2.517 . 0 0 "[ . 1 . 2]" 1
66 1 23 TRP HD1 1 25 PRO HA . . 3.720 3.512 3.353 3.677 . 0 0 "[ . 1 . 2]" 1
67 1 23 TRP HD1 1 25 PRO QB . . 4.440 3.017 2.993 3.038 . 0 0 "[ . 1 . 2]" 1
68 1 23 TRP HD1 1 25 PRO HD3 . . 3.800 2.611 2.518 2.759 . 0 0 "[ . 1 . 2]" 1
69 1 23 TRP HD1 1 25 PRO HD2 . . 4.530 4.180 4.091 4.307 . 0 0 "[ . 1 . 2]" 1
70 1 23 TRP HE3 1 32 VAL HA . . 4.520 3.805 3.239 4.188 . 0 0 "[ . 1 . 2]" 1
71 1 23 TRP HH2 1 33 CYS HA . . 4.470 3.355 2.911 3.930 . 0 0 "[ . 1 . 2]" 1
72 1 23 TRP HH2 1 33 CYS HB2 . . 4.010 2.364 1.997 2.782 . 0 0 "[ . 1 . 2]" 1
73 1 23 TRP HH2 1 33 CYS HB3 . . 4.440 4.024 3.682 4.452 0.012 18 0 "[ . 1 . 2]" 1
74 1 23 TRP HH2 1 38 VAL QG . . 3.340 2.010 1.760 2.317 . 0 0 "[ . 1 . 2]" 1
75 1 23 TRP H 1 23 TRP HE3 . . 3.700 3.230 2.788 3.563 . 0 0 "[ . 1 . 2]" 1
76 1 23 TRP H 1 31 CYS H . . 4.490 3.836 3.460 4.168 . 0 0 "[ . 1 . 2]" 1
77 1 23 TRP H 1 32 VAL HA . . 4.690 3.223 2.935 3.514 . 0 0 "[ . 1 . 2]" 1
78 1 23 TRP HZ2 1 31 CYS HB2 . . 4.510 3.920 3.401 4.514 0.004 1 0 "[ . 1 . 2]" 1
79 1 23 TRP HZ2 1 31 CYS HB3 . . 4.600 2.682 2.197 3.282 . 0 0 "[ . 1 . 2]" 1
80 1 23 TRP HZ2 1 38 VAL QG . . 3.180 1.848 1.723 2.065 . 0 0 "[ . 1 . 2]" 1
81 1 23 TRP HZ3 1 32 VAL HA . . 3.950 3.598 2.868 3.986 0.036 5 0 "[ . 1 . 2]" 1
82 1 23 TRP HZ3 1 33 CYS HA . . 4.270 4.113 3.680 4.313 0.043 4 0 "[ . 1 . 2]" 1
83 1 23 TRP HZ3 1 33 CYS HB2 . . 3.580 2.162 1.984 2.455 . 0 0 "[ . 1 . 2]" 1
84 1 23 TRP HZ3 1 33 CYS HB3 . . 3.860 3.014 2.552 3.569 . 0 0 "[ . 1 . 2]" 1
85 1 23 TRP HZ3 1 33 CYS H . . 4.160 2.619 2.040 3.273 . 0 0 "[ . 1 . 2]" 1
86 1 24 LYS HA 1 24 LYS HG2 . . 3.770 2.893 2.339 3.611 . 0 0 "[ . 1 . 2]" 1
87 1 24 LYS HA 1 24 LYS HG3 . . 3.980 2.910 2.080 3.630 . 0 0 "[ . 1 . 2]" 1
88 1 24 LYS HA 1 24 LYS QD . . 4.010 3.209 2.385 3.584 . 0 0 "[ . 1 . 2]" 1
89 1 24 LYS HA 1 25 PRO HD3 . . 3.620 2.133 2.123 2.145 . 0 0 "[ . 1 . 2]" 1
90 1 24 LYS HA 1 25 PRO HD2 . . 3.650 2.179 2.177 2.181 . 0 0 "[ . 1 . 2]" 1
91 1 24 LYS HA 1 26 GLU H . . 4.690 3.687 3.571 3.871 . 0 0 "[ . 1 . 2]" 1
92 1 24 LYS HA 1 31 CYS H . . 4.350 3.097 2.608 3.487 . 0 0 "[ . 1 . 2]" 1
93 1 24 LYS QD 1 25 PRO HD2 . . 4.100 4.027 3.372 4.132 0.032 9 0 "[ . 1 . 2]" 1
94 1 25 PRO QB 1 26 GLU H . . 4.200 3.126 2.959 3.230 . 0 0 "[ . 1 . 2]" 1
95 1 25 PRO QB 1 26 GLU QG . . 3.090 2.787 2.337 3.043 . 0 0 "[ . 1 . 2]" 1
96 1 25 PRO HD3 1 26 GLU H . . 4.530 3.681 3.661 3.724 . 0 0 "[ . 1 . 2]" 1
97 1 25 PRO HG2 1 26 GLU H . . 4.010 2.761 2.575 2.888 . 0 0 "[ . 1 . 2]" 1
98 1 26 GLU HA 1 26 GLU QG . . 3.350 2.397 2.172 2.768 . 0 0 "[ . 1 . 2]" 1
99 1 26 GLU HA 1 27 PRO HD2 . . 3.150 2.688 2.607 2.783 . 0 0 "[ . 1 . 2]" 1
100 1 26 GLU QG 1 27 PRO HD2 . . 3.860 3.401 3.141 3.685 . 0 0 "[ . 1 . 2]" 1
101 1 26 GLU QB 1 27 PRO HD2 . . 3.780 2.271 1.991 2.456 . 0 0 "[ . 1 . 2]" 1
102 1 27 PRO HB2 1 27 PRO HD2 . . 3.960 3.854 3.853 3.854 . 0 0 "[ . 1 . 2]" 1
103 1 28 CYS HA 1 28 CYS HB2 . . 3.140 2.771 2.368 3.025 . 0 0 "[ . 1 . 2]" 1
104 1 28 CYS HA 1 29 ARG H . . 4.750 3.495 3.304 3.591 . 0 0 "[ . 1 . 2]" 1
105 1 28 CYS HA 1 43 ILE HB . . 3.820 2.833 2.275 3.838 0.018 13 0 "[ . 1 . 2]" 1
106 1 28 CYS HA 1 43 ILE MD . . 3.450 2.501 1.944 3.484 0.034 7 0 "[ . 1 . 2]" 1
107 1 28 CYS HA 1 43 ILE MG . . 3.980 3.152 2.818 3.758 . 0 0 "[ . 1 . 2]" 1
108 1 28 CYS HA 1 61 CYS HA . . 2.940 2.925 2.457 2.997 0.057 4 0 "[ . 1 . 2]" 1
109 1 28 CYS HA 1 61 CYS HB3 . . 3.830 3.110 1.971 3.741 . 0 0 "[ . 1 . 2]" 1
110 1 28 CYS HB2 1 61 CYS HA . . 3.960 3.555 2.276 4.452 0.492 3 0 "[ . 1 . 2]" 1
111 1 29 ARG HA 1 29 ARG QD . . 4.140 2.835 2.120 3.506 . 0 0 "[ . 1 . 2]" 1
112 1 29 ARG HA 1 29 ARG QG . . 3.560 2.288 2.000 2.567 . 0 0 "[ . 1 . 2]" 1
113 1 29 ARG HA 1 30 ILE H . . 3.150 2.261 2.241 2.285 . 0 0 "[ . 1 . 2]" 1
114 1 29 ARG HA 1 30 ILE MG . . 4.380 3.735 3.308 4.046 . 0 0 "[ . 1 . 2]" 1
115 1 29 ARG H 1 29 ARG QG . . 4.690 4.164 4.075 4.276 . 0 0 "[ . 1 . 2]" 1
116 1 29 ARG QB 1 30 ILE H . . 4.570 3.648 3.396 3.782 . 0 0 "[ . 1 . 2]" 1
117 1 29 ARG QG 1 30 ILE H . . 3.730 2.627 2.279 3.153 . 0 0 "[ . 1 . 2]" 1
118 1 29 ARG QG 1 40 CYS HA . . 4.290 4.199 4.000 4.323 0.033 10 0 "[ . 1 . 2]" 1
119 1 29 ARG QG 1 40 CYS HB2 . . 4.480 3.921 3.305 4.262 . 0 0 "[ . 1 . 2]" 1
120 1 30 ILE HA 1 30 ILE MG . . 3.680 2.665 2.122 3.214 . 0 0 "[ . 1 . 2]" 1
121 1 30 ILE HA 1 31 CYS H . . 3.260 2.289 2.191 2.431 . 0 0 "[ . 1 . 2]" 1
122 1 30 ILE H 1 30 ILE MG . . 3.450 2.509 1.922 3.060 . 0 0 "[ . 1 . 2]" 1
123 1 30 ILE MD 1 41 ASP HB2 . . 4.410 3.371 1.978 5.101 0.691 19 1 "[ . 1 . +2]" 1
124 1 31 CYS HA 1 32 VAL H . . 3.270 2.295 2.250 2.367 . 0 0 "[ . 1 . 2]" 1
125 1 31 CYS HA 1 40 CYS HA . . 3.260 2.036 1.963 2.242 . 0 0 "[ . 1 . 2]" 1
126 1 31 CYS HA 1 40 CYS HB2 . . 4.520 4.229 3.693 4.760 0.240 13 0 "[ . 1 . 2]" 1
127 1 31 CYS HA 1 41 ASP H . . 4.080 3.471 3.075 3.769 . 0 0 "[ . 1 . 2]" 1
128 1 31 CYS HB2 1 32 VAL H . . 4.440 4.316 4.076 4.472 0.032 4 0 "[ . 1 . 2]" 1
129 1 31 CYS HB2 1 38 VAL QG . . 4.070 3.976 3.254 4.062 . 0 0 "[ . 1 . 2]" 1
130 1 31 CYS HB3 1 32 VAL H . . 4.040 3.220 2.954 3.498 . 0 0 "[ . 1 . 2]" 1
131 1 31 CYS HB3 1 38 VAL QG . . 3.760 2.718 1.941 2.892 . 0 0 "[ . 1 . 2]" 1
132 1 31 CYS H 1 31 CYS HB2 . . 4.050 2.530 2.275 2.869 . 0 0 "[ . 1 . 2]" 1
133 1 32 VAL HA 1 32 VAL MG2 . . 3.480 2.381 2.159 2.500 . 0 0 "[ . 1 . 2]" 1
134 1 32 VAL HA 1 33 CYS HB2 . . 4.440 4.387 4.153 4.508 0.068 10 0 "[ . 1 . 2]" 1
135 1 32 VAL HA 1 33 CYS H . . 3.360 2.278 2.182 2.572 . 0 0 "[ . 1 . 2]" 1
136 1 32 VAL HB 1 33 CYS H . . 4.500 4.084 3.841 4.373 . 0 0 "[ . 1 . 2]" 1
137 1 32 VAL H 1 32 VAL HB . . 4.180 3.368 3.060 3.552 . 0 0 "[ . 1 . 2]" 1
138 1 32 VAL H 1 32 VAL MG1 . . 3.640 2.190 1.956 2.370 . 0 0 "[ . 1 . 2]" 1
139 1 32 VAL H 1 38 VAL HA . . 4.570 3.989 3.406 4.363 . 0 0 "[ . 1 . 2]" 1
140 1 32 VAL H 1 38 VAL QG . . 4.350 3.499 2.691 3.978 . 0 0 "[ . 1 . 2]" 1
141 1 32 VAL H 1 39 LEU H . . 3.970 3.097 2.628 3.372 . 0 0 "[ . 1 . 2]" 1
142 1 32 VAL H 1 40 CYS HA . . 3.800 3.496 3.245 3.834 0.034 10 0 "[ . 1 . 2]" 1
143 1 32 VAL MG1 1 34 ASP QB . . 4.680 2.990 2.298 3.909 . 0 0 "[ . 1 . 2]" 1
144 1 32 VAL MG2 1 33 CYS H . . 3.740 2.326 1.807 2.745 . 0 0 "[ . 1 . 2]" 1
145 1 33 CYS HA 1 34 ASP H . . 3.490 2.394 2.219 2.598 . 0 0 "[ . 1 . 2]" 1
146 1 33 CYS HA 1 38 VAL HA . . 3.680 2.173 1.958 2.484 . 0 0 "[ . 1 . 2]" 1
147 1 33 CYS HA 1 38 VAL QG . . 4.210 2.948 2.479 3.496 . 0 0 "[ . 1 . 2]" 1
148 1 33 CYS HA 1 39 LEU H . . 4.390 3.361 2.959 3.838 . 0 0 "[ . 1 . 2]" 1
149 1 33 CYS H 1 33 CYS HB2 . . 4.160 2.583 2.379 2.920 . 0 0 "[ . 1 . 2]" 1
150 1 33 CYS H 1 33 CYS HB3 . . 4.020 2.543 2.398 2.836 . 0 0 "[ . 1 . 2]" 1
151 1 34 ASP QB 1 39 LEU QD . . 3.790 3.038 2.120 3.468 . 0 0 "[ . 1 . 2]" 1
152 1 34 ASP QB 1 37 THR HB . . 4.450 3.536 2.368 4.235 . 0 0 "[ . 1 . 2]" 1
153 1 35 THR HA 1 35 THR MG . . 2.930 2.355 2.197 2.593 . 0 0 "[ . 1 . 2]" 1
154 1 37 THR HA 1 37 THR MG . . 2.910 2.388 2.252 2.567 . 0 0 "[ . 1 . 2]" 1
155 1 37 THR HA 1 38 VAL QG . . 4.400 3.549 3.294 3.812 . 0 0 "[ . 1 . 2]" 1
156 1 37 THR H 1 37 THR HB . . 3.860 2.405 2.241 2.963 . 0 0 "[ . 1 . 2]" 1
157 1 38 VAL HA 1 38 VAL QG . . 3.300 2.159 2.044 2.469 . 0 0 "[ . 1 . 2]" 1
158 1 38 VAL HA 1 39 LEU H . . 3.010 2.253 2.190 2.274 . 0 0 "[ . 1 . 2]" 1
159 1 38 VAL H 1 38 VAL HB . . 3.850 2.451 2.233 2.952 . 0 0 "[ . 1 . 2]" 1
160 1 38 VAL H 1 38 VAL QG . . 4.010 2.277 1.849 2.590 . 0 0 "[ . 1 . 2]" 1
161 1 38 VAL MG1 1 38 VAL MG2 . . 2.740 2.040 1.972 2.112 . 0 0 "[ . 1 . 2]" 1
162 1 38 VAL QG 1 39 LEU H . . 3.600 3.222 2.265 3.375 . 0 0 "[ . 1 . 2]" 1
163 1 39 LEU H 1 39 LEU HB2 . . 3.930 3.005 2.203 3.879 . 0 0 "[ . 1 . 2]" 1
164 1 39 LEU H 1 39 LEU HB3 . . 4.190 2.750 2.267 3.310 . 0 0 "[ . 1 . 2]" 1
165 1 39 LEU H 1 39 LEU QD . . 4.140 3.233 1.868 3.772 . 0 0 "[ . 1 . 2]" 1
166 1 40 CYS HA 1 41 ASP H . . 3.340 2.242 2.237 2.277 . 0 0 "[ . 1 . 2]" 1
167 1 40 CYS HB3 1 41 ASP H . . 4.630 3.565 3.217 3.768 . 0 0 "[ . 1 . 2]" 1
168 1 41 ASP H 1 41 ASP HB2 . . 4.140 2.475 2.236 3.048 . 0 0 "[ . 1 . 2]" 1
169 1 41 ASP H 1 41 ASP HB3 . . 4.390 3.177 2.302 3.608 . 0 0 "[ . 1 . 2]" 1
170 1 42 ASP HA 1 43 ILE H . . 3.360 2.363 2.256 2.494 . 0 0 "[ . 1 . 2]" 1
171 1 43 ILE HA 1 43 ILE HG12 . . 3.700 2.485 2.316 2.795 . 0 0 "[ . 1 . 2]" 1
172 1 43 ILE HA 1 43 ILE HG13 . . 3.920 2.874 2.174 3.642 . 0 0 "[ . 1 . 2]" 1
173 1 43 ILE HA 1 43 ILE MD . . 4.320 3.680 2.359 3.862 . 0 0 "[ . 1 . 2]" 1
174 1 43 ILE HB 1 43 ILE MD . . 3.170 2.353 2.213 3.157 . 0 0 "[ . 1 . 2]" 1
175 1 43 ILE HB 1 61 CYS HB2 . . 4.550 3.161 1.989 4.582 0.032 7 0 "[ . 1 . 2]" 1
176 1 43 ILE HB 1 61 CYS HB3 . . 4.470 3.280 2.530 4.322 . 0 0 "[ . 1 . 2]" 1
177 1 43 ILE H 1 43 ILE HB . . 3.800 2.313 2.033 2.525 . 0 0 "[ . 1 . 2]" 1
178 1 43 ILE H 1 43 ILE HG12 . . 4.500 3.777 2.899 4.568 0.068 14 0 "[ . 1 . 2]" 1
179 1 43 ILE H 1 43 ILE HG13 . . 4.140 2.854 1.961 4.115 . 0 0 "[ . 1 . 2]" 1
180 1 43 ILE H 1 43 ILE MD . . 4.480 3.869 3.471 4.160 . 0 0 "[ . 1 . 2]" 1
181 1 44 ILE HA 1 44 ILE HG12 . . 3.730 3.760 3.709 3.780 0.050 8 0 "[ . 1 . 2]" 1
182 1 44 ILE HA 1 44 ILE MG . . 3.570 2.263 2.187 2.302 . 0 0 "[ . 1 . 2]" 1
183 1 44 ILE HB 1 44 ILE MD . . 2.930 2.195 2.097 2.332 . 0 0 "[ . 1 . 2]" 1
184 1 44 ILE HG12 1 44 ILE MG . . 3.590 2.364 2.302 2.387 . 0 0 "[ . 1 . 2]" 1
185 1 46 GLU HA 1 46 GLU QG . . 3.120 2.256 2.019 3.283 0.163 7 0 "[ . 1 . 2]" 1
186 1 48 VAL HA 1 48 VAL QG . . 2.750 2.120 1.969 2.296 . 0 0 "[ . 1 . 2]" 1
187 1 48 VAL HB 1 51 CYS QB . . 4.180 3.943 3.270 4.268 0.088 17 0 "[ . 1 . 2]" 1
188 1 48 VAL QG 1 51 CYS QB . . 4.380 2.576 1.736 4.316 . 0 0 "[ . 1 . 2]" 1
189 1 51 CYS QB 1 65 CYS HB2 . . 4.370 3.434 2.387 4.160 . 0 0 "[ . 1 . 2]" 1
190 1 51 CYS QB 1 65 CYS HB3 . . 4.170 2.350 1.869 4.450 0.280 1 0 "[ . 1 . 2]" 1
191 1 52 LEU HA 1 52 LEU HG . . 3.300 2.339 2.086 2.725 . 0 0 "[ . 1 . 2]" 1
192 1 52 LEU HA 1 52 LEU MD1 . . 3.500 3.403 2.420 3.818 0.318 4 0 "[ . 1 . 2]" 1
193 1 52 LEU QB 1 52 LEU HG . . 2.700 2.494 2.392 2.547 . 0 0 "[ . 1 . 2]" 1
194 1 52 LEU QB 1 52 LEU MD1 . . 3.040 2.047 1.930 2.139 . 0 0 "[ . 1 . 2]" 1
195 1 52 LEU QB 1 52 LEU MD2 . . 3.090 2.099 1.937 2.358 . 0 0 "[ . 1 . 2]" 1
196 1 53 SER HA 1 53 SER HB2 . . 2.800 2.761 2.342 3.040 0.240 15 0 "[ . 1 . 2]" 1
197 1 53 SER HA 1 54 PRO HD3 . . 3.220 1.974 1.940 2.040 . 0 0 "[ . 1 . 2]" 1
198 1 54 PRO HA 1 65 CYS HA . . 3.910 3.760 3.563 3.919 0.009 6 0 "[ . 1 . 2]" 1
199 1 54 PRO HB3 1 54 PRO HD3 . . 3.480 3.534 3.533 3.535 0.055 4 0 "[ . 1 . 2]" 1
200 1 56 ILE HA 1 56 ILE HG13 . . 4.170 2.133 1.979 2.300 . 0 0 "[ . 1 . 2]" 1
201 1 56 ILE HA 1 56 ILE MD . . 4.110 3.551 2.566 3.696 . 0 0 "[ . 1 . 2]" 1
202 1 56 ILE HA 1 56 ILE MG . . 3.220 3.075 2.656 3.138 . 0 0 "[ . 1 . 2]" 1
203 1 56 ILE HA 1 57 PRO HD2 . . 3.620 2.280 2.179 2.331 . 0 0 "[ . 1 . 2]" 1
204 1 56 ILE HA 1 57 PRO HD3 . . 3.730 1.960 1.925 2.130 . 0 0 "[ . 1 . 2]" 1
205 1 56 ILE HA 1 57 PRO HG3 . . 4.440 4.204 4.182 4.321 . 0 0 "[ . 1 . 2]" 1
206 1 56 ILE HA 1 60 GLU QB . . 4.680 4.045 2.857 4.531 . 0 0 "[ . 1 . 2]" 1
207 1 56 ILE HG13 1 60 GLU HG3 . . 4.600 4.326 3.848 4.823 0.223 9 0 "[ . 1 . 2]" 1
208 1 56 ILE HG13 1 63 PRO HA . . 3.890 2.072 1.894 2.539 . 0 0 "[ . 1 . 2]" 1
209 1 56 ILE MD 1 63 PRO HA . . 3.810 2.483 1.899 2.893 . 0 0 "[ . 1 . 2]" 1
210 1 56 ILE MD 1 63 PRO HG2 . . 4.370 3.929 3.506 4.451 0.081 6 0 "[ . 1 . 2]" 1
211 1 56 ILE MD 1 63 PRO HG3 . . 4.640 2.941 2.429 4.561 . 0 0 "[ . 1 . 2]" 1
212 1 56 ILE HG13 1 56 ILE MG . . 3.670 3.184 2.571 3.241 . 0 0 "[ . 1 . 2]" 1
213 1 56 ILE MD 1 56 ILE MG . . 3.480 2.172 1.894 3.248 . 0 0 "[ . 1 . 2]" 1
214 1 56 ILE MG 1 57 PRO HD2 . . 4.010 3.635 3.250 3.727 . 0 0 "[ . 1 . 2]" 1
215 1 56 ILE MG 1 57 PRO HD3 . . 4.210 4.252 4.028 4.297 0.087 5 0 "[ . 1 . 2]" 1
216 1 56 ILE MG 1 60 GLU HG2 . . 4.590 4.057 3.109 4.253 . 0 0 "[ . 1 . 2]" 1
217 1 56 ILE MG 1 60 GLU HG3 . . 4.280 4.231 3.601 4.361 0.081 7 0 "[ . 1 . 2]" 1
218 1 56 ILE MG 1 60 GLU QB . . 4.240 4.005 2.765 4.312 0.072 5 0 "[ . 1 . 2]" 1
219 1 56 ILE MG 1 63 PRO HA . . 3.850 3.836 3.684 4.086 0.236 6 0 "[ . 1 . 2]" 1
220 1 57 PRO HA 1 57 PRO HG2 . . 4.010 3.972 3.971 3.973 . 0 0 "[ . 1 . 2]" 1
221 1 57 PRO HA 1 57 PRO HG3 . . 4.210 3.880 3.879 3.881 . 0 0 "[ . 1 . 2]" 1
222 1 57 PRO HB2 1 60 GLU HG3 . . 4.420 3.497 3.270 3.646 . 0 0 "[ . 1 . 2]" 1
223 1 57 PRO HB3 1 60 GLU HG3 . . 4.550 4.505 4.383 4.611 0.061 4 0 "[ . 1 . 2]" 1
224 1 57 PRO HD2 1 60 GLU HG3 . . 4.050 2.020 1.926 2.370 . 0 0 "[ . 1 . 2]" 1
225 1 57 PRO HD2 1 60 GLU QB . . 3.890 2.673 1.915 3.142 . 0 0 "[ . 1 . 2]" 1
226 1 57 PRO HB2 1 57 PRO HD3 . . 3.940 4.124 4.123 4.125 0.185 14 0 "[ . 1 . 2]" 1
227 1 57 PRO HD3 1 57 PRO HG3 . . 3.070 2.299 2.298 2.300 . 0 0 "[ . 1 . 2]" 1
228 1 57 PRO HD3 1 60 GLU HG3 . . 4.600 3.608 3.532 3.900 . 0 0 "[ . 1 . 2]" 1
229 1 57 PRO HG2 1 60 GLU HG3 . . 3.110 2.034 1.953 2.218 . 0 0 "[ . 1 . 2]" 1
230 1 57 PRO HB2 1 57 PRO HG3 . . 3.130 2.802 2.802 2.804 . 0 0 "[ . 1 . 2]" 1
231 1 58 PHE HA 1 58 PHE QD . . 3.860 2.576 2.225 2.979 . 0 0 "[ . 1 . 2]" 1
232 1 60 GLU HA 1 60 GLU HG2 . . 3.660 2.558 2.339 3.055 . 0 0 "[ . 1 . 2]" 1
233 1 62 CYS HA 1 63 PRO HD2 . . 3.310 2.227 2.212 2.304 . 0 0 "[ . 1 . 2]" 1
234 1 62 CYS HA 1 63 PRO HD3 . . 3.230 2.163 1.989 2.336 . 0 0 "[ . 1 . 2]" 1
235 1 62 CYS HA 1 63 PRO HG2 . . 4.420 4.396 4.379 4.441 0.021 5 0 "[ . 1 . 2]" 1
236 1 62 CYS HA 1 63 PRO HG3 . . 4.460 4.361 4.237 4.493 0.033 5 0 "[ . 1 . 2]" 1
237 1 63 PRO HA 1 63 PRO HG2 . . 3.850 3.972 3.971 3.973 0.123 1 0 "[ . 1 . 2]" 1
238 1 63 PRO HG2 1 64 ILE MG . . 4.250 3.766 3.355 4.155 . 0 0 "[ . 1 . 2]" 1
239 1 64 ILE HA 1 64 ILE HB . . 2.970 2.307 2.262 2.417 . 0 0 "[ . 1 . 2]" 1
240 1 64 ILE HA 1 64 ILE MG . . 2.820 2.495 2.263 2.623 . 0 0 "[ . 1 . 2]" 1
241 1 64 ILE H 1 64 ILE HG13 . . 4.560 3.794 3.470 4.012 . 0 0 "[ . 1 . 2]" 1
242 1 64 ILE H 1 64 ILE MG . . 4.470 2.698 2.392 3.084 . 0 0 "[ . 1 . 2]" 1
243 1 65 CYS HA 1 66 PRO HD2 . . 3.310 2.309 2.286 2.499 . 0 0 "[ . 1 . 2]" 1
244 1 65 CYS HA 1 66 PRO HD3 . . 3.250 1.992 1.947 2.005 . 0 0 "[ . 1 . 2]" 1
245 1 65 CYS HA 1 66 PRO QG . . 4.580 3.844 3.841 3.872 . 0 0 "[ . 1 . 2]" 1
246 1 66 PRO QB 1 66 PRO HD2 . . 3.770 3.508 3.507 3.509 . 0 0 "[ . 1 . 2]" 1
247 1 66 PRO QB 1 66 PRO HD3 . . 3.860 3.342 3.342 3.343 . 0 0 "[ . 1 . 2]" 1
248 1 69 LEU HA 1 69 LEU MD2 . . 3.620 3.197 2.093 4.090 0.470 17 0 "[ . 1 . 2]" 1
249 1 69 LEU HB3 1 69 LEU MD1 . . 3.380 2.838 2.500 3.189 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 333
_Distance_constraint_stats_list.Viol_count 361
_Distance_constraint_stats_list.Viol_total 579.621
_Distance_constraint_stats_list.Viol_max 0.738
_Distance_constraint_stats_list.Viol_rms 0.0324
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0803
_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 2 VAL 0.150 0.059 17 0 "[ . 1 . 2]"
1 3 GLU 0.150 0.059 17 0 "[ . 1 . 2]"
1 4 PHE 0.414 0.214 4 0 "[ . 1 . 2]"
1 5 GLN 1.619 0.612 3 1 "[ + . 1 . 2]"
1 6 GLU 1.399 0.612 3 1 "[ + . 1 . 2]"
1 7 ALA 0.074 0.074 4 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.387 0.365 4 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 3.339 0.276 17 0 "[ . 1 . 2]"
1 16 ARG 3.699 0.276 17 0 "[ . 1 . 2]"
1 17 TYR 0.031 0.031 9 0 "[ . 1 . 2]"
1 18 ASN 0.094 0.062 1 0 "[ . 1 . 2]"
1 19 ASP 0.020 0.020 1 0 "[ . 1 . 2]"
1 20 LYS 0.347 0.071 6 0 "[ . 1 . 2]"
1 21 ASP 0.198 0.036 6 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TRP 0.050 0.014 4 0 "[ . 1 . 2]"
1 24 LYS 3.081 0.394 4 0 "[ . 1 . 2]"
1 25 PRO 0.387 0.365 4 0 "[ . 1 . 2]"
1 26 GLU 0.073 0.020 12 0 "[ . 1 . 2]"
1 27 PRO 1.174 0.111 16 0 "[ . 1 . 2]"
1 28 CYS 1.174 0.111 16 0 "[ . 1 . 2]"
1 29 ARG 0.644 0.064 19 0 "[ . 1 . 2]"
1 30 ILE 0.016 0.016 13 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 1.631 0.369 10 0 "[ . 1 . 2]"
1 33 CYS 0.164 0.036 6 0 "[ . 1 . 2]"
1 34 ASP 0.327 0.071 6 0 "[ . 1 . 2]"
1 35 THR 0.260 0.179 10 0 "[ . 1 . 2]"
1 36 GLY 0.196 0.179 10 0 "[ . 1 . 2]"
1 37 THR 0.009 0.009 6 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 1.625 0.369 10 0 "[ . 1 . 2]"
1 40 CYS 0.006 0.006 13 0 "[ . 1 . 2]"
1 41 ASP 0.016 0.016 13 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 1.320 0.095 4 0 "[ . 1 . 2]"
1 44 ILE 1.596 0.095 4 0 "[ . 1 . 2]"
1 45 CYS 1.938 0.096 7 0 "[ . 1 . 2]"
1 46 GLU 2.407 0.601 3 3 "[ +*.- 1 . 2]"
1 47 ASP 4.105 0.601 3 3 "[ +*.- 1 . 2]"
1 48 VAL 1.831 0.383 5 0 "[ . 1 . 2]"
1 49 LYS 3.758 0.738 16 3 "[ . - *1 .+ 2]"
1 50 ASP 1.773 0.738 16 2 "[ . - 1 .+ 2]"
1 51 CYS 0.843 0.426 16 0 "[ . 1 . 2]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 0.148 0.070 8 0 "[ . 1 . 2]"
1 55 GLU 0.153 0.070 8 0 "[ . 1 . 2]"
1 56 ILE 0.147 0.056 18 0 "[ . 1 . 2]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 1.924 0.135 1 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 3.283 0.141 7 0 "[ . 1 . 2]"
1 61 CYS 1.568 0.358 10 0 "[ . 1 . 2]"
1 62 CYS 1.714 0.358 10 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ILE 0.031 0.026 20 0 "[ . 1 . 2]"
1 65 CYS 0.031 0.026 20 0 "[ . 1 . 2]"
1 66 PRO 0.337 0.155 3 0 "[ . 1 . 2]"
1 67 ALA 0.473 0.155 3 0 "[ . 1 . 2]"
1 68 ASP 0.004 0.004 15 0 "[ . 1 . 2]"
1 69 LEU 0.001 0.001 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL HA 1 3 GLU H . . 3.560 2.590 2.184 3.619 0.059 17 0 "[ . 1 . 2]" 2
2 1 2 VAL HB 1 3 GLU H . . 5.150 3.875 2.250 4.578 . 0 0 "[ . 1 . 2]" 2
3 1 2 VAL QG 1 3 GLU H . . 4.740 2.665 1.937 3.733 . 0 0 "[ . 1 . 2]" 2
4 1 2 VAL QG 1 4 PHE H . . 5.250 4.455 2.546 5.242 . 0 0 "[ . 1 . 2]" 2
5 1 3 GLU HA 1 4 PHE H . . 3.690 2.455 2.203 3.644 . 0 0 "[ . 1 . 2]" 2
6 1 3 GLU H 1 3 GLU QB . . 3.890 2.691 2.202 3.156 . 0 0 "[ . 1 . 2]" 2
7 1 3 GLU QB 1 4 PHE H . . 4.750 3.324 2.285 4.089 . 0 0 "[ . 1 . 2]" 2
8 1 4 PHE HA 1 5 GLN H . . 3.680 2.443 2.195 3.636 . 0 0 "[ . 1 . 2]" 2
9 1 4 PHE HB3 1 5 GLN H . . 4.940 3.585 2.243 4.497 . 0 0 "[ . 1 . 2]" 2
10 1 4 PHE H 1 4 PHE HB3 . . 3.800 3.243 2.089 4.014 0.214 4 0 "[ . 1 . 2]" 2
11 1 4 PHE H 1 4 PHE QD . . 5.500 3.546 2.128 4.423 . 0 0 "[ . 1 . 2]" 2
12 1 5 GLN HA 1 6 GLU H . . 3.540 2.609 2.202 3.631 0.091 17 0 "[ . 1 . 2]" 2
13 1 5 GLN HB3 1 6 GLU H . . 3.840 3.407 2.566 4.452 0.612 3 1 "[ + . 1 . 2]" 2
14 1 5 GLN H 1 5 GLN HB2 . . 4.370 3.041 2.067 4.077 . 0 0 "[ . 1 . 2]" 2
15 1 5 GLN H 1 5 GLN HE21 . . 5.500 4.413 2.366 5.277 . 0 0 "[ . 1 . 2]" 2
16 1 5 GLN H 1 5 GLN HG2 . . 4.880 3.545 2.017 5.175 0.295 17 0 "[ . 1 . 2]" 2
17 1 6 GLU HA 1 7 ALA H . . 3.850 2.400 2.202 3.644 . 0 0 "[ . 1 . 2]" 2
18 1 6 GLU HB3 1 7 ALA H . . 4.380 3.506 2.242 4.454 0.074 4 0 "[ . 1 . 2]" 2
19 1 6 GLU H 1 6 GLU QG . . 4.390 3.357 2.243 4.098 . 0 0 "[ . 1 . 2]" 2
20 1 6 GLU QG 1 7 ALA H . . 4.890 3.579 1.903 4.450 . 0 0 "[ . 1 . 2]" 2
21 1 7 ALA HA 1 8 GLY H . . 3.750 2.446 2.187 3.642 . 0 0 "[ . 1 . 2]" 2
22 1 7 ALA HA 1 9 SER H . . 4.720 4.515 4.055 4.718 . 0 0 "[ . 1 . 2]" 2
23 1 7 ALA H 1 7 ALA MB . . 3.540 2.564 1.947 2.900 . 0 0 "[ . 1 . 2]" 2
24 1 7 ALA MB 1 8 GLY H . . 4.560 3.072 2.262 3.790 . 0 0 "[ . 1 . 2]" 2
25 1 8 GLY HA2 1 9 SER H . . 4.660 3.406 2.423 3.645 . 0 0 "[ . 1 . 2]" 2
26 1 8 GLY HA3 1 9 SER H . . 4.820 2.800 2.418 3.643 . 0 0 "[ . 1 . 2]" 2
27 1 8 GLY H 1 9 SER H . . 4.410 3.012 2.182 3.896 . 0 0 "[ . 1 . 2]" 2
28 1 9 SER HA 1 10 CYS H . . 3.940 2.394 2.216 2.621 . 0 0 "[ . 1 . 2]" 2
29 1 9 SER H 1 10 CYS H . . 5.230 4.439 3.549 4.664 . 0 0 "[ . 1 . 2]" 2
30 1 9 SER QB 1 10 CYS H . . 4.070 2.880 2.209 3.632 . 0 0 "[ . 1 . 2]" 2
31 1 10 CYS HA 1 11 VAL H . . 3.500 2.316 2.221 2.457 . 0 0 "[ . 1 . 2]" 2
32 1 10 CYS HB2 1 17 TYR H . . 5.440 3.758 2.835 4.984 . 0 0 "[ . 1 . 2]" 2
33 1 10 CYS HB3 1 11 VAL H . . 4.210 3.260 2.657 3.792 . 0 0 "[ . 1 . 2]" 2
34 1 10 CYS H 1 17 TYR HB2 . . 5.350 3.644 3.085 4.250 . 0 0 "[ . 1 . 2]" 2
35 1 10 CYS H 1 17 TYR HB3 . . 5.500 4.708 4.088 5.185 . 0 0 "[ . 1 . 2]" 2
36 1 10 CYS H 1 17 TYR H . . 5.060 2.566 2.201 2.989 . 0 0 "[ . 1 . 2]" 2
37 1 11 VAL HA 1 12 GLN H . . 3.500 2.187 2.185 2.189 . 0 0 "[ . 1 . 2]" 2
38 1 11 VAL HA 1 15 GLN H . . 5.370 3.492 3.322 3.655 . 0 0 "[ . 1 . 2]" 2
39 1 11 VAL HA 1 17 TYR H . . 4.990 4.220 3.955 4.449 . 0 0 "[ . 1 . 2]" 2
40 1 11 VAL HB 1 12 GLN H . . 4.780 4.343 3.715 4.580 . 0 0 "[ . 1 . 2]" 2
41 1 11 VAL H 1 11 VAL HB . . 4.180 2.651 2.333 3.706 . 0 0 "[ . 1 . 2]" 2
42 1 11 VAL H 1 11 VAL QG . . 4.140 2.411 1.951 2.714 . 0 0 "[ . 1 . 2]" 2
43 1 11 VAL H 1 12 GLN H . . 5.070 4.322 4.263 4.346 . 0 0 "[ . 1 . 2]" 2
44 1 11 VAL H 1 38 VAL QG . . 4.690 3.678 2.987 3.910 . 0 0 "[ . 1 . 2]" 2
45 1 11 VAL QG 1 12 GLN H . . 4.340 3.107 2.852 3.703 . 0 0 "[ . 1 . 2]" 2
46 1 11 VAL QG 1 16 ARG H . . 5.500 4.811 4.442 5.325 . 0 0 "[ . 1 . 2]" 2
47 1 11 VAL QG 1 17 TYR H . . 5.320 4.761 4.454 5.070 . 0 0 "[ . 1 . 2]" 2
48 1 11 VAL QG 1 14 GLY H . . 4.620 2.635 2.219 3.543 . 0 0 "[ . 1 . 2]" 2
49 1 11 VAL QG 1 15 GLN H . . 4.620 3.354 2.927 4.273 . 0 0 "[ . 1 . 2]" 2
50 1 12 GLN QB 1 12 GLN HE22 . . 4.680 4.308 3.278 4.544 . 0 0 "[ . 1 . 2]" 2
51 1 12 GLN HE21 1 25 PRO QB . . 5.500 4.482 3.343 5.865 0.365 4 0 "[ . 1 . 2]" 2
52 1 12 GLN HE21 1 38 VAL QG . . 5.290 3.738 2.741 4.900 . 0 0 "[ . 1 . 2]" 2
53 1 12 GLN HE22 1 38 VAL QG . . 5.200 4.792 3.164 5.108 . 0 0 "[ . 1 . 2]" 2
54 1 12 GLN H 1 14 GLY H . . 5.500 3.046 2.892 3.224 . 0 0 "[ . 1 . 2]" 2
55 1 12 GLN H 1 15 GLN HA . . 5.500 4.410 4.303 4.514 . 0 0 "[ . 1 . 2]" 2
56 1 12 GLN H 1 15 GLN HB3 . . 4.720 4.182 3.263 4.457 . 0 0 "[ . 1 . 2]" 2
57 1 12 GLN H 1 15 GLN H . . 4.560 2.199 2.055 2.315 . 0 0 "[ . 1 . 2]" 2
58 1 12 GLN H 1 17 TYR QD . . 5.060 3.186 2.723 3.474 . 0 0 "[ . 1 . 2]" 2
59 1 12 GLN H 1 17 TYR QE . . 4.770 3.994 3.653 4.604 . 0 0 "[ . 1 . 2]" 2
60 1 13 ASP HA 1 14 GLY H . . 4.320 3.229 3.170 3.273 . 0 0 "[ . 1 . 2]" 2
61 1 13 ASP HB2 1 14 GLY H . . 5.500 4.057 3.901 4.199 . 0 0 "[ . 1 . 2]" 2
62 1 13 ASP HB3 1 14 GLY H . . 5.410 3.924 3.724 4.270 . 0 0 "[ . 1 . 2]" 2
63 1 14 GLY HA2 1 15 GLN H . . 4.880 3.086 2.909 3.158 . 0 0 "[ . 1 . 2]" 2
64 1 14 GLY HA3 1 15 GLN H . . 4.940 3.545 3.508 3.612 . 0 0 "[ . 1 . 2]" 2
65 1 14 GLY H 1 15 GLN H . . 4.620 2.079 2.013 2.316 . 0 0 "[ . 1 . 2]" 2
66 1 15 GLN HA 1 16 ARG H . . 3.460 2.227 2.204 2.280 . 0 0 "[ . 1 . 2]" 2
67 1 15 GLN HB2 1 16 ARG H . . 4.270 4.437 4.264 4.546 0.276 17 0 "[ . 1 . 2]" 2
68 1 15 GLN H 1 15 GLN HB2 . . 4.370 2.501 2.411 3.029 . 0 0 "[ . 1 . 2]" 2
69 1 15 GLN H 1 15 GLN QG . . 4.070 3.550 3.107 4.013 . 0 0 "[ . 1 . 2]" 2
70 1 15 GLN QG 1 16 ARG H . . 4.730 3.788 2.341 4.327 . 0 0 "[ . 1 . 2]" 2
71 1 16 ARG HA 1 17 TYR H . . 3.810 2.233 2.225 2.270 . 0 0 "[ . 1 . 2]" 2
72 1 16 ARG HB3 1 17 TYR H . . 4.420 4.093 3.325 4.451 0.031 9 0 "[ . 1 . 2]" 2
73 1 16 ARG H 1 16 ARG HB3 . . 3.670 2.953 2.398 3.579 . 0 0 "[ . 1 . 2]" 2
74 1 16 ARG H 1 16 ARG HD3 . . 5.500 4.041 2.179 5.724 0.224 13 0 "[ . 1 . 2]" 2
75 1 17 TYR HA 1 18 ASN H . . 4.010 2.315 2.192 2.436 . 0 0 "[ . 1 . 2]" 2
76 1 17 TYR HB2 1 18 ASN H . . 5.340 4.152 3.829 4.496 . 0 0 "[ . 1 . 2]" 2
77 1 17 TYR HB3 1 18 ASN H . . 4.550 3.018 2.619 3.585 . 0 0 "[ . 1 . 2]" 2
78 1 17 TYR H 1 17 TYR QD . . 4.540 3.186 2.723 3.649 . 0 0 "[ . 1 . 2]" 2
79 1 17 TYR H 1 17 TYR QE . . 5.500 5.257 4.796 5.500 0.000 6 0 "[ . 1 . 2]" 2
80 1 17 TYR QD 1 18 ASN H . . 5.170 3.590 3.257 4.020 . 0 0 "[ . 1 . 2]" 2
81 1 18 ASN HA 1 19 ASP H . . 3.740 2.768 2.541 2.960 . 0 0 "[ . 1 . 2]" 2
82 1 18 ASN HB3 1 19 ASP H . . 3.750 2.325 1.938 3.770 0.020 1 0 "[ . 1 . 2]" 2
83 1 18 ASN H 1 18 ASN HB3 . . 4.080 3.192 2.260 3.551 . 0 0 "[ . 1 . 2]" 2
84 1 18 ASN H 1 18 ASN HD21 . . 5.450 3.938 2.047 4.700 . 0 0 "[ . 1 . 2]" 2
85 1 18 ASN H 1 18 ASN HD22 . . 5.500 4.951 3.605 5.562 0.062 1 0 "[ . 1 . 2]" 2
86 1 18 ASN H 1 19 ASP H . . 5.500 4.538 4.388 4.657 . 0 0 "[ . 1 . 2]" 2
87 1 18 ASN H 1 21 ASP HB2 . . 5.140 2.639 2.332 3.070 . 0 0 "[ . 1 . 2]" 2
88 1 19 ASP HA 1 20 LYS H . . 3.790 3.654 3.652 3.657 . 0 0 "[ . 1 . 2]" 2
89 1 19 ASP HB3 1 20 LYS H . . 5.160 3.184 2.105 3.846 . 0 0 "[ . 1 . 2]" 2
90 1 19 ASP HB3 1 35 THR H . . 5.500 3.214 1.981 4.960 . 0 0 "[ . 1 . 2]" 2
91 1 19 ASP H 1 19 ASP HB2 . . 3.960 2.850 2.088 3.507 . 0 0 "[ . 1 . 2]" 2
92 1 19 ASP H 1 20 LYS HA . . 5.500 5.157 5.059 5.276 . 0 0 "[ . 1 . 2]" 2
93 1 19 ASP H 1 20 LYS H . . 5.050 2.679 2.551 2.818 . 0 0 "[ . 1 . 2]" 2
94 1 20 LYS HA 1 21 ASP H . . 4.570 3.441 3.329 3.506 . 0 0 "[ . 1 . 2]" 2
95 1 20 LYS H 1 20 LYS QG . . 4.880 3.421 1.951 3.928 . 0 0 "[ . 1 . 2]" 2
96 1 20 LYS H 1 33 CYS HB3 . . 5.250 5.086 4.833 5.253 0.003 3 0 "[ . 1 . 2]" 2
97 1 20 LYS H 1 34 ASP HA . . 5.390 5.381 5.140 5.461 0.071 6 0 "[ . 1 . 2]" 2
98 1 20 LYS H 1 35 THR H . . 5.500 5.325 4.263 5.506 0.006 8 0 "[ . 1 . 2]" 2
99 1 21 ASP HB3 1 22 VAL H . . 4.380 3.502 2.916 3.971 . 0 0 "[ . 1 . 2]" 2
100 1 21 ASP HB2 1 22 VAL H . . 4.860 4.453 4.144 4.677 . 0 0 "[ . 1 . 2]" 2
101 1 21 ASP H 1 22 VAL H . . 5.200 4.533 4.323 4.675 . 0 0 "[ . 1 . 2]" 2
102 1 21 ASP H 1 23 TRP HZ3 . . 5.490 5.347 4.972 5.504 0.014 4 0 "[ . 1 . 2]" 2
103 1 21 ASP H 1 32 VAL MG2 . . 5.500 4.473 3.841 5.115 . 0 0 "[ . 1 . 2]" 2
104 1 21 ASP H 1 33 CYS HB3 . . 4.390 4.167 3.641 4.396 0.006 16 0 "[ . 1 . 2]" 2
105 1 21 ASP H 1 33 CYS H . . 5.000 4.876 4.479 5.036 0.036 6 0 "[ . 1 . 2]" 2
106 1 22 VAL HB 1 23 TRP H . . 5.270 3.959 2.835 4.293 . 0 0 "[ . 1 . 2]" 2
107 1 22 VAL H 1 23 TRP HE3 . . 5.500 4.488 3.820 4.796 . 0 0 "[ . 1 . 2]" 2
108 1 22 VAL H 1 23 TRP H . . 5.500 4.473 4.291 4.574 . 0 0 "[ . 1 . 2]" 2
109 1 23 TRP HA 1 24 LYS H . . 3.850 2.332 2.281 2.377 . 0 0 "[ . 1 . 2]" 2
110 1 23 TRP HB2 1 24 LYS H . . 4.070 2.915 2.774 3.088 . 0 0 "[ . 1 . 2]" 2
111 1 23 TRP HB3 1 24 LYS H . . 4.250 4.112 3.998 4.218 . 0 0 "[ . 1 . 2]" 2
112 1 23 TRP HD1 1 24 LYS H . . 5.360 3.888 3.742 4.042 . 0 0 "[ . 1 . 2]" 2
113 1 23 TRP HE1 1 25 PRO HA . . 5.440 5.065 4.723 5.345 . 0 0 "[ . 1 . 2]" 2
114 1 23 TRP HE1 1 25 PRO QB . . 4.570 3.220 2.896 3.468 . 0 0 "[ . 1 . 2]" 2
115 1 23 TRP HE1 1 25 PRO HD3 . . 5.100 3.731 3.604 3.923 . 0 0 "[ . 1 . 2]" 2
116 1 23 TRP HE1 1 25 PRO HD2 . . 5.500 5.083 4.933 5.316 . 0 0 "[ . 1 . 2]" 2
117 1 23 TRP HE1 1 25 PRO HG3 . . 5.480 2.612 2.439 2.869 . 0 0 "[ . 1 . 2]" 2
118 1 23 TRP HE1 1 31 CYS HB3 . . 5.500 2.752 2.224 3.520 . 0 0 "[ . 1 . 2]" 2
119 1 23 TRP HE1 1 38 VAL QG . . 5.500 3.766 3.509 4.011 . 0 0 "[ . 1 . 2]" 2
120 1 23 TRP HH2 1 33 CYS H . . 5.500 3.608 3.053 4.263 . 0 0 "[ . 1 . 2]" 2
121 1 23 TRP H 1 24 LYS H . . 5.500 4.362 4.277 4.460 . 0 0 "[ . 1 . 2]" 2
122 1 23 TRP H 1 31 CYS HB2 . . 5.500 4.783 4.192 5.384 . 0 0 "[ . 1 . 2]" 2
123 1 23 TRP H 1 33 CYS H . . 5.500 4.973 4.532 5.357 . 0 0 "[ . 1 . 2]" 2
124 1 24 LYS HG3 1 26 GLU H . . 4.620 4.068 2.893 4.640 0.020 12 0 "[ . 1 . 2]" 2
125 1 24 LYS H 1 24 LYS HG2 . . 4.470 4.614 4.407 4.864 0.394 4 0 "[ . 1 . 2]" 2
126 1 24 LYS H 1 24 LYS QD . . 4.160 3.925 2.654 4.197 0.037 10 0 "[ . 1 . 2]" 2
127 1 24 LYS H 1 25 PRO HA . . 5.500 4.825 4.778 4.844 . 0 0 "[ . 1 . 2]" 2
128 1 25 PRO HD3 1 31 CYS H . . 5.500 2.291 2.027 2.563 . 0 0 "[ . 1 . 2]" 2
129 1 25 PRO HD2 1 26 GLU H . . 4.580 2.269 2.253 2.319 . 0 0 "[ . 1 . 2]" 2
130 1 25 PRO HD2 1 31 CYS H . . 5.500 2.820 2.353 3.288 . 0 0 "[ . 1 . 2]" 2
131 1 26 GLU QG 1 29 ARG H . . 5.500 4.529 4.249 4.836 . 0 0 "[ . 1 . 2]" 2
132 1 26 GLU H 1 29 ARG H . . 4.990 3.606 3.492 3.723 . 0 0 "[ . 1 . 2]" 2
133 1 27 PRO HA 1 28 CYS H . . 5.500 2.949 2.629 3.345 . 0 0 "[ . 1 . 2]" 2
134 1 27 PRO HB2 1 28 CYS H . . 4.850 4.201 3.827 4.456 . 0 0 "[ . 1 . 2]" 2
135 1 27 PRO HB3 1 28 CYS H . . 4.620 4.644 4.509 4.731 0.111 16 0 "[ . 1 . 2]" 2
136 1 27 PRO HD2 1 28 CYS H . . 4.450 3.424 2.468 4.191 . 0 0 "[ . 1 . 2]" 2
137 1 28 CYS HA 1 43 ILE H . . 5.480 4.394 3.326 5.225 . 0 0 "[ . 1 . 2]" 2
138 1 28 CYS HB2 1 29 ARG H . . 5.280 3.628 3.245 4.449 . 0 0 "[ . 1 . 2]" 2
139 1 28 CYS H 1 29 ARG H . . 4.440 1.793 1.729 1.889 . 0 0 "[ . 1 . 2]" 2
140 1 29 ARG QD 1 30 ILE H . . 5.500 4.117 3.366 5.030 . 0 0 "[ . 1 . 2]" 2
141 1 29 ARG QD 1 43 ILE H . . 5.500 4.218 3.518 5.129 . 0 0 "[ . 1 . 2]" 2
142 1 29 ARG H 1 29 ARG QD . . 5.060 4.323 3.734 4.787 . 0 0 "[ . 1 . 2]" 2
143 1 29 ARG H 1 30 ILE H . . 5.500 4.350 4.263 4.399 . 0 0 "[ . 1 . 2]" 2
144 1 29 ARG H 1 43 ILE MG . . 5.210 5.240 5.172 5.274 0.064 19 0 "[ . 1 . 2]" 2
145 1 29 ARG QG 1 41 ASP H . . 5.020 3.814 3.397 4.204 . 0 0 "[ . 1 . 2]" 2
146 1 30 ILE H 1 31 CYS H . . 5.290 4.481 4.346 4.558 . 0 0 "[ . 1 . 2]" 2
147 1 30 ILE H 1 40 CYS HA . . 5.500 4.564 4.093 5.093 . 0 0 "[ . 1 . 2]" 2
148 1 30 ILE H 1 41 ASP HB3 . . 5.500 4.662 4.023 5.368 . 0 0 "[ . 1 . 2]" 2
149 1 30 ILE H 1 41 ASP H . . 4.710 3.272 2.863 3.634 . 0 0 "[ . 1 . 2]" 2
150 1 30 ILE MD 1 41 ASP H . . 5.160 3.536 1.911 5.176 0.016 13 0 "[ . 1 . 2]" 2
151 1 31 CYS HA 1 39 LEU H . . 5.500 4.762 4.129 5.020 . 0 0 "[ . 1 . 2]" 2
152 1 31 CYS HA 1 40 CYS H . . 5.350 4.514 4.214 4.664 . 0 0 "[ . 1 . 2]" 2
153 1 31 CYS H 1 31 CYS HB3 . . 4.140 3.528 3.345 3.887 . 0 0 "[ . 1 . 2]" 2
154 1 32 VAL H 1 39 LEU HB2 . . 5.500 5.305 4.424 5.869 0.369 10 0 "[ . 1 . 2]" 2
155 1 32 VAL H 1 41 ASP H . . 5.500 4.889 4.493 5.243 . 0 0 "[ . 1 . 2]" 2
156 1 32 VAL MG1 1 33 CYS H . . 4.260 3.988 3.193 4.273 0.013 9 0 "[ . 1 . 2]" 2
157 1 33 CYS HA 1 37 THR H . . 5.220 4.197 3.952 4.483 . 0 0 "[ . 1 . 2]" 2
158 1 34 ASP HA 1 35 THR H . . 3.640 2.266 2.253 2.317 . 0 0 "[ . 1 . 2]" 2
159 1 34 ASP HA 1 36 GLY H . . 5.500 3.667 3.478 4.857 . 0 0 "[ . 1 . 2]" 2
160 1 34 ASP QB 1 35 THR H . . 5.160 3.805 3.444 4.062 . 0 0 "[ . 1 . 2]" 2
161 1 34 ASP QB 1 37 THR H . . 5.310 3.972 3.514 4.223 . 0 0 "[ . 1 . 2]" 2
162 1 34 ASP H 1 37 THR HB . . 5.500 4.033 2.957 4.790 . 0 0 "[ . 1 . 2]" 2
163 1 34 ASP H 1 37 THR H . . 4.500 3.508 2.532 4.248 . 0 0 "[ . 1 . 2]" 2
164 1 34 ASP H 1 38 VAL HA . . 5.230 3.460 2.382 3.744 . 0 0 "[ . 1 . 2]" 2
165 1 34 ASP H 1 39 LEU H . . 5.500 3.238 2.681 4.297 . 0 0 "[ . 1 . 2]" 2
166 1 35 THR HA 1 36 GLY H . . 4.020 2.975 2.389 3.106 . 0 0 "[ . 1 . 2]" 2
167 1 35 THR HA 1 37 THR H . . 4.470 4.235 3.950 4.479 0.009 6 0 "[ . 1 . 2]" 2
168 1 35 THR HB 1 36 GLY H . . 4.190 4.162 4.015 4.369 0.179 10 0 "[ . 1 . 2]" 2
169 1 35 THR H 1 35 THR HB . . 3.790 3.596 3.476 3.827 0.037 10 0 "[ . 1 . 2]" 2
170 1 35 THR H 1 36 GLY H . . 4.710 2.687 2.471 3.390 . 0 0 "[ . 1 . 2]" 2
171 1 35 THR MG 1 36 GLY H . . 5.500 4.314 4.242 4.430 . 0 0 "[ . 1 . 2]" 2
172 1 36 GLY HA2 1 37 THR H . . 4.690 3.394 3.122 3.513 . 0 0 "[ . 1 . 2]" 2
173 1 36 GLY H 1 37 THR H . . 4.430 2.571 2.196 2.826 . 0 0 "[ . 1 . 2]" 2
174 1 37 THR HA 1 38 VAL H . . 3.450 2.186 2.150 2.250 . 0 0 "[ . 1 . 2]" 2
175 1 37 THR HB 1 38 VAL H . . 5.430 4.336 4.127 4.573 . 0 0 "[ . 1 . 2]" 2
176 1 37 THR H 1 37 THR MG . . 4.640 3.746 3.675 3.954 . 0 0 "[ . 1 . 2]" 2
177 1 37 THR H 1 38 VAL H . . 5.270 4.457 3.918 4.583 . 0 0 "[ . 1 . 2]" 2
178 1 37 THR MG 1 38 VAL H . . 3.940 2.638 2.167 3.461 . 0 0 "[ . 1 . 2]" 2
179 1 38 VAL HB 1 39 LEU H . . 5.500 4.506 4.067 4.611 . 0 0 "[ . 1 . 2]" 2
180 1 39 LEU HA 1 40 CYS H . . 3.170 2.259 2.177 2.355 . 0 0 "[ . 1 . 2]" 2
181 1 39 LEU HB2 1 40 CYS H . . 5.270 3.885 3.051 4.556 . 0 0 "[ . 1 . 2]" 2
182 1 39 LEU HG 1 40 CYS H . . 4.450 3.505 2.442 4.456 0.006 13 0 "[ . 1 . 2]" 2
183 1 39 LEU QD 1 40 CYS H . . 4.520 2.921 1.902 4.133 . 0 0 "[ . 1 . 2]" 2
184 1 40 CYS HB2 1 41 ASP H . . 4.570 4.472 4.118 4.535 . 0 0 "[ . 1 . 2]" 2
185 1 40 CYS H 1 40 CYS HB3 . . 4.320 3.329 3.103 3.810 . 0 0 "[ . 1 . 2]" 2
186 1 40 CYS H 1 41 ASP H . . 5.500 4.414 4.245 4.479 . 0 0 "[ . 1 . 2]" 2
187 1 41 ASP HA 1 42 ASP H . . 3.370 2.482 2.299 2.645 . 0 0 "[ . 1 . 2]" 2
188 1 41 ASP H 1 42 ASP H . . 5.310 4.509 4.433 4.553 . 0 0 "[ . 1 . 2]" 2
189 1 42 ASP HB2 1 43 ILE H . . 5.240 3.681 2.537 4.583 . 0 0 "[ . 1 . 2]" 2
190 1 42 ASP HB3 1 43 ILE H . . 4.830 3.629 2.606 4.355 . 0 0 "[ . 1 . 2]" 2
191 1 42 ASP H 1 42 ASP HB2 . . 3.830 2.845 2.035 3.599 . 0 0 "[ . 1 . 2]" 2
192 1 42 ASP H 1 42 ASP HB3 . . 3.950 2.951 2.186 3.554 . 0 0 "[ . 1 . 2]" 2
193 1 42 ASP H 1 43 ILE H . . 5.330 4.586 4.474 4.662 . 0 0 "[ . 1 . 2]" 2
194 1 43 ILE HA 1 44 ILE H . . 3.490 2.202 2.177 2.225 . 0 0 "[ . 1 . 2]" 2
195 1 43 ILE HA 1 45 CYS H . . 5.500 5.522 5.474 5.589 0.089 16 0 "[ . 1 . 2]" 2
196 1 43 ILE HG12 1 44 ILE H . . 5.430 4.363 3.473 4.814 . 0 0 "[ . 1 . 2]" 2
197 1 43 ILE H 1 44 ILE MG . . 4.590 4.497 3.758 4.685 0.095 4 0 "[ . 1 . 2]" 2
198 1 43 ILE MG 1 45 CYS H . . 4.000 3.762 3.471 3.999 . 0 0 "[ . 1 . 2]" 2
199 1 43 ILE MG 1 61 CYS H . . 5.500 4.122 2.269 5.415 . 0 0 "[ . 1 . 2]" 2
200 1 44 ILE HA 1 45 CYS H . . 3.300 2.187 2.181 2.193 . 0 0 "[ . 1 . 2]" 2
201 1 44 ILE HB 1 45 CYS H . . 4.880 3.770 3.723 3.815 . 0 0 "[ . 1 . 2]" 2
202 1 44 ILE HG12 1 45 CYS H . . 5.380 5.449 5.414 5.462 0.082 7 0 "[ . 1 . 2]" 2
203 1 44 ILE HG13 1 45 CYS H . . 5.460 4.726 4.688 4.800 . 0 0 "[ . 1 . 2]" 2
204 1 44 ILE H 1 44 ILE HB . . 4.020 3.571 3.538 3.639 . 0 0 "[ . 1 . 2]" 2
205 1 44 ILE H 1 44 ILE HG12 . . 4.880 2.027 1.948 2.262 . 0 0 "[ . 1 . 2]" 2
206 1 44 ILE H 1 44 ILE HG13 . . 4.620 2.396 2.270 2.481 . 0 0 "[ . 1 . 2]" 2
207 1 44 ILE H 1 44 ILE MG . . 4.000 2.837 2.669 3.158 . 0 0 "[ . 1 . 2]" 2
208 1 44 ILE H 1 45 CYS H . . 5.220 4.311 4.162 4.376 . 0 0 "[ . 1 . 2]" 2
209 1 45 CYS HA 1 46 GLU H . . 3.310 2.453 2.220 2.587 . 0 0 "[ . 1 . 2]" 2
210 1 45 CYS HB2 1 46 GLU H . . 4.510 3.001 2.303 3.958 . 0 0 "[ . 1 . 2]" 2
211 1 45 CYS HB3 1 46 GLU H . . 4.360 3.659 2.420 4.456 0.096 7 0 "[ . 1 . 2]" 2
212 1 45 CYS H 1 45 CYS HB2 . . 3.870 3.402 2.689 3.756 . 0 0 "[ . 1 . 2]" 2
213 1 45 CYS H 1 45 CYS HB3 . . 4.330 3.062 2.291 3.633 . 0 0 "[ . 1 . 2]" 2
214 1 46 GLU HB2 1 47 ASP H . . 4.050 4.030 3.355 4.651 0.601 3 3 "[ +*.- 1 . 2]" 2
215 1 46 GLU H 1 46 GLU HB3 . . 3.820 3.289 2.230 3.547 . 0 0 "[ . 1 . 2]" 2
216 1 46 GLU H 1 46 GLU QG . . 4.520 3.122 2.162 3.944 . 0 0 "[ . 1 . 2]" 2
217 1 46 GLU H 1 47 ASP H . . 5.140 4.601 4.391 4.670 . 0 0 "[ . 1 . 2]" 2
218 1 46 GLU QG 1 47 ASP H . . 4.930 3.376 1.919 4.239 . 0 0 "[ . 1 . 2]" 2
219 1 47 ASP HA 1 48 VAL H . . 3.290 2.645 2.255 3.263 . 0 0 "[ . 1 . 2]" 2
220 1 47 ASP HB2 1 48 VAL H . . 4.240 3.466 1.938 4.623 0.383 5 0 "[ . 1 . 2]" 2
221 1 47 ASP H 1 48 VAL H . . 5.500 3.856 1.880 4.559 . 0 0 "[ . 1 . 2]" 2
222 1 47 ASP H 1 48 VAL QG . . 5.380 4.225 2.982 5.396 0.016 10 0 "[ . 1 . 2]" 2
223 1 47 ASP H 1 67 ALA H . . 5.070 5.026 4.393 5.105 0.035 4 0 "[ . 1 . 2]" 2
224 1 48 VAL HA 1 49 LYS H . . 3.430 2.554 2.187 3.500 0.070 9 0 "[ . 1 . 2]" 2
225 1 48 VAL HB 1 49 LYS H . . 5.060 3.788 1.948 4.443 . 0 0 "[ . 1 . 2]" 2
226 1 48 VAL HB 1 51 CYS H . . 5.460 4.887 3.795 5.487 0.027 12 0 "[ . 1 . 2]" 2
227 1 48 VAL HB 1 67 ALA H . . 5.500 4.175 2.008 5.509 0.009 14 0 "[ . 1 . 2]" 2
228 1 48 VAL H 1 48 VAL HB . . 4.210 2.941 2.279 3.659 . 0 0 "[ . 1 . 2]" 2
229 1 48 VAL H 1 48 VAL QG . . 3.840 2.558 1.904 3.159 . 0 0 "[ . 1 . 2]" 2
230 1 48 VAL QG 1 49 LYS H . . 4.390 2.046 1.751 2.985 . 0 0 "[ . 1 . 2]" 2
231 1 48 VAL QG 1 50 ASP H . . 4.970 2.542 1.799 3.376 . 0 0 "[ . 1 . 2]" 2
232 1 48 VAL QG 1 51 CYS H . . 4.550 2.786 1.891 4.562 0.012 9 0 "[ . 1 . 2]" 2
233 1 48 VAL QG 1 67 ALA H . . 5.500 3.422 1.965 4.576 . 0 0 "[ . 1 . 2]" 2
234 1 49 LYS HA 1 50 ASP H . . 3.860 3.250 2.213 3.639 . 0 0 "[ . 1 . 2]" 2
235 1 49 LYS HA 1 51 CYS H . . 5.150 4.503 3.433 5.167 0.017 1 0 "[ . 1 . 2]" 2
236 1 49 LYS HB3 1 51 CYS H . . 5.500 5.167 3.213 5.926 0.426 16 0 "[ . 1 . 2]" 2
237 1 49 LYS HB2 1 50 ASP H . . 4.410 3.633 2.306 4.599 0.189 16 0 "[ . 1 . 2]" 2
238 1 49 LYS HG3 1 50 ASP H . . 5.120 4.505 2.987 5.858 0.738 16 1 "[ . 1 .+ 2]" 2
239 1 49 LYS H 1 49 LYS HB3 . . 3.940 3.308 2.330 3.775 . 0 0 "[ . 1 . 2]" 2
240 1 49 LYS H 1 49 LYS HG3 . . 4.340 3.755 2.121 4.950 0.610 9 1 "[ . +1 . 2]" 2
241 1 49 LYS H 1 50 ASP HA . . 5.420 4.695 4.135 5.159 . 0 0 "[ . 1 . 2]" 2
242 1 49 LYS H 1 50 ASP HB2 . . 5.310 4.827 3.457 5.858 0.548 7 1 "[ . + 1 . 2]" 2
243 1 50 ASP HA 1 51 CYS H . . 4.270 3.014 2.359 3.655 . 0 0 "[ . 1 . 2]" 2
244 1 50 ASP HB2 1 51 CYS H . . 5.380 4.019 2.792 4.664 . 0 0 "[ . 1 . 2]" 2
245 1 50 ASP HB3 1 51 CYS H . . 5.310 3.852 2.204 4.719 . 0 0 "[ . 1 . 2]" 2
246 1 50 ASP H 1 50 ASP HB2 . . 4.390 2.834 2.043 3.916 . 0 0 "[ . 1 . 2]" 2
247 1 50 ASP H 1 51 CYS H . . 4.390 2.796 1.916 3.976 . 0 0 "[ . 1 . 2]" 2
248 1 51 CYS HA 1 52 LEU H . . 3.360 2.657 2.392 3.024 . 0 0 "[ . 1 . 2]" 2
249 1 51 CYS H 1 51 CYS QB . . 3.830 2.402 2.018 3.019 . 0 0 "[ . 1 . 2]" 2
250 1 51 CYS QB 1 52 LEU H . . 4.810 2.705 1.942 3.446 . 0 0 "[ . 1 . 2]" 2
251 1 51 CYS QB 1 53 SER H . . 5.500 4.029 2.962 4.681 . 0 0 "[ . 1 . 2]" 2
252 1 52 LEU HA 1 53 SER H . . 4.620 3.612 3.542 3.639 . 0 0 "[ . 1 . 2]" 2
253 1 52 LEU H 1 53 SER H . . 4.840 2.810 1.931 3.564 . 0 0 "[ . 1 . 2]" 2
254 1 52 LEU QB 1 53 SER H . . 4.270 2.216 1.897 2.695 . 0 0 "[ . 1 . 2]" 2
255 1 52 LEU MD1 1 53 SER H . . 5.250 4.250 3.823 4.931 . 0 0 "[ . 1 . 2]" 2
256 1 53 SER H 1 54 PRO HD3 . . 4.880 4.523 4.223 4.761 . 0 0 "[ . 1 . 2]" 2
257 1 54 PRO HA 1 55 GLU H . . 3.370 2.195 2.149 2.297 . 0 0 "[ . 1 . 2]" 2
258 1 54 PRO HA 1 64 ILE H . . 5.360 4.949 4.750 5.065 . 0 0 "[ . 1 . 2]" 2
259 1 54 PRO HB3 1 55 GLU H . . 3.990 3.844 3.602 4.060 0.070 8 0 "[ . 1 . 2]" 2
260 1 55 GLU HA 1 56 ILE H . . 3.390 2.224 2.205 2.279 . 0 0 "[ . 1 . 2]" 2
261 1 55 GLU H 1 55 GLU HB2 . . 4.120 3.110 2.798 3.981 . 0 0 "[ . 1 . 2]" 2
262 1 55 GLU H 1 63 PRO HA . . 4.860 4.622 4.351 4.849 . 0 0 "[ . 1 . 2]" 2
263 1 55 GLU H 1 64 ILE HG12 . . 5.500 5.013 4.981 5.060 . 0 0 "[ . 1 . 2]" 2
264 1 55 GLU H 1 64 ILE HG13 . . 5.500 4.983 4.768 5.080 . 0 0 "[ . 1 . 2]" 2
265 1 55 GLU H 1 64 ILE H . . 4.090 3.799 3.663 4.007 . 0 0 "[ . 1 . 2]" 2
266 1 55 GLU H 1 64 ILE MG . . 5.040 4.679 4.478 4.813 . 0 0 "[ . 1 . 2]" 2
267 1 55 GLU H 1 65 CYS HA . . 4.850 2.960 2.720 3.058 . 0 0 "[ . 1 . 2]" 2
268 1 55 GLU H 1 66 PRO HD2 . . 5.060 5.024 4.995 5.065 0.005 9 0 "[ . 1 . 2]" 2
269 1 55 GLU H 1 66 PRO HD3 . . 4.810 4.239 4.126 4.348 . 0 0 "[ . 1 . 2]" 2
270 1 56 ILE HB 1 60 GLU H . . 5.330 4.432 3.962 5.329 . 0 0 "[ . 1 . 2]" 2
271 1 56 ILE H 1 56 ILE HB . . 3.770 2.150 2.032 2.322 . 0 0 "[ . 1 . 2]" 2
272 1 56 ILE H 1 56 ILE HG12 . . 4.770 4.559 4.432 4.637 . 0 0 "[ . 1 . 2]" 2
273 1 56 ILE H 1 56 ILE MG . . 4.620 2.776 2.594 3.529 . 0 0 "[ . 1 . 2]" 2
274 1 56 ILE MD 1 64 ILE H . . 5.500 4.216 2.926 4.660 . 0 0 "[ . 1 . 2]" 2
275 1 56 ILE MG 1 60 GLU H . . 4.750 2.644 1.862 3.135 . 0 0 "[ . 1 . 2]" 2
276 1 56 ILE MG 1 62 CYS H . . 5.500 5.413 4.966 5.556 0.056 18 0 "[ . 1 . 2]" 2
277 1 57 PRO HA 1 58 PHE H . . 3.300 2.152 2.148 2.160 . 0 0 "[ . 1 . 2]" 2
278 1 57 PRO HB2 1 58 PHE H . . 4.610 3.854 3.760 3.982 . 0 0 "[ . 1 . 2]" 2
279 1 57 PRO HB3 1 58 PHE H . . 4.410 4.121 4.049 4.222 . 0 0 "[ . 1 . 2]" 2
280 1 57 PRO HD2 1 60 GLU H . . 5.490 4.071 3.868 4.308 . 0 0 "[ . 1 . 2]" 2
281 1 57 PRO HD2 1 61 CYS H . . 5.500 4.537 4.178 5.343 . 0 0 "[ . 1 . 2]" 2
282 1 57 PRO HG2 1 58 PHE H . . 5.500 5.415 5.384 5.451 . 0 0 "[ . 1 . 2]" 2
283 1 58 PHE HA 1 59 GLY H . . 3.610 2.788 2.346 3.544 . 0 0 "[ . 1 . 2]" 2
284 1 58 PHE HB2 1 59 GLY H . . 5.400 4.531 3.319 4.721 . 0 0 "[ . 1 . 2]" 2
285 1 58 PHE H 1 58 PHE HB2 . . 3.570 2.899 2.706 3.639 0.069 20 0 "[ . 1 . 2]" 2
286 1 58 PHE H 1 58 PHE HB3 . . 3.580 3.477 3.166 3.693 0.113 15 0 "[ . 1 . 2]" 2
287 1 58 PHE H 1 58 PHE QD . . 5.030 3.883 2.435 4.401 . 0 0 "[ . 1 . 2]" 2
288 1 58 PHE H 1 59 GLY H . . 5.360 3.170 2.948 4.288 . 0 0 "[ . 1 . 2]" 2
289 1 58 PHE H 1 60 GLU HG2 . . 5.250 5.261 4.767 5.385 0.135 1 0 "[ . 1 . 2]" 2
290 1 58 PHE H 1 60 GLU HG3 . . 5.500 5.447 5.106 5.569 0.069 1 0 "[ . 1 . 2]" 2
291 1 58 PHE QD 1 59 GLY H . . 5.500 4.611 2.500 4.903 . 0 0 "[ . 1 . 2]" 2
292 1 59 GLY HA2 1 60 GLU H . . 4.680 2.224 2.198 2.342 . 0 0 "[ . 1 . 2]" 2
293 1 59 GLY HA3 1 60 GLU H . . 4.750 3.379 3.298 3.563 . 0 0 "[ . 1 . 2]" 2
294 1 59 GLY H 1 60 GLU H . . 4.430 3.843 3.652 3.945 . 0 0 "[ . 1 . 2]" 2
295 1 60 GLU HA 1 61 CYS H . . 4.130 3.355 2.794 3.640 . 0 0 "[ . 1 . 2]" 2
296 1 60 GLU HA 1 62 CYS H . . 5.120 4.814 4.261 5.138 0.018 15 0 "[ . 1 . 2]" 2
297 1 60 GLU HG2 1 61 CYS H . . 5.460 4.347 4.184 4.490 . 0 0 "[ . 1 . 2]" 2
298 1 60 GLU HG3 1 61 CYS H . . 4.220 4.204 4.085 4.361 0.141 7 0 "[ . 1 . 2]" 2
299 1 60 GLU HG3 1 62 CYS H . . 4.840 4.713 4.325 4.921 0.081 2 0 "[ . 1 . 2]" 2
300 1 60 GLU H 1 60 GLU HG3 . . 4.160 3.793 3.212 4.242 0.082 9 0 "[ . 1 . 2]" 2
301 1 60 GLU H 1 61 CYS HA . . 4.860 4.336 4.010 4.906 0.046 7 0 "[ . 1 . 2]" 2
302 1 60 GLU QB 1 61 CYS H . . 4.830 1.892 1.770 1.994 . 0 0 "[ . 1 . 2]" 2
303 1 60 GLU QB 1 62 CYS H . . 5.410 2.477 2.061 2.735 . 0 0 "[ . 1 . 2]" 2
304 1 61 CYS HA 1 62 CYS H . . 4.980 3.493 3.108 3.597 . 0 0 "[ . 1 . 2]" 2
305 1 61 CYS HB2 1 62 CYS H . . 4.020 3.873 3.201 4.378 0.358 10 0 "[ . 1 . 2]" 2
306 1 61 CYS H 1 62 CYS H . . 4.140 1.892 1.832 2.113 . 0 0 "[ . 1 . 2]" 2
307 1 62 CYS H 1 62 CYS HB2 . . 4.080 3.093 2.489 3.786 . 0 0 "[ . 1 . 2]" 2
308 1 62 CYS H 1 62 CYS HB3 . . 4.390 3.523 2.869 3.939 . 0 0 "[ . 1 . 2]" 2
309 1 63 PRO HA 1 64 ILE H . . 3.650 2.538 2.373 2.634 . 0 0 "[ . 1 . 2]" 2
310 1 63 PRO QB 1 64 ILE H . . 4.890 4.049 3.978 4.075 . 0 0 "[ . 1 . 2]" 2
311 1 64 ILE HA 1 65 CYS H . . 3.570 2.590 2.441 2.645 . 0 0 "[ . 1 . 2]" 2
312 1 64 ILE HB 1 65 CYS H . . 3.700 2.449 2.209 2.727 . 0 0 "[ . 1 . 2]" 2
313 1 64 ILE HG12 1 65 CYS H . . 5.500 3.853 3.505 4.178 . 0 0 "[ . 1 . 2]" 2
314 1 64 ILE HG13 1 65 CYS H . . 5.430 2.755 2.405 3.165 . 0 0 "[ . 1 . 2]" 2
315 1 64 ILE H 1 64 ILE HG12 . . 4.760 2.518 2.234 2.722 . 0 0 "[ . 1 . 2]" 2
316 1 64 ILE MG 1 65 CYS H . . 4.070 3.941 3.732 4.096 0.026 20 0 "[ . 1 . 2]" 2
317 1 65 CYS H 1 65 CYS HB2 . . 4.090 3.174 2.853 3.641 . 0 0 "[ . 1 . 2]" 2
318 1 65 CYS H 1 65 CYS HB3 . . 4.170 2.391 2.212 3.178 . 0 0 "[ . 1 . 2]" 2
319 1 66 PRO HA 1 67 ALA H . . 3.450 2.487 2.153 2.706 . 0 0 "[ . 1 . 2]" 2
320 1 66 PRO HD2 1 67 ALA H . . 5.350 5.291 5.030 5.505 0.155 3 0 "[ . 1 . 2]" 2
321 1 66 PRO QB 1 67 ALA H . . 4.330 2.635 2.069 3.862 . 0 0 "[ . 1 . 2]" 2
322 1 66 PRO QB 1 68 ASP H . . 5.500 3.723 2.501 5.504 0.004 15 0 "[ . 1 . 2]" 2
323 1 66 PRO QB 1 69 LEU H . . 5.500 4.431 3.558 5.391 . 0 0 "[ . 1 . 2]" 2
324 1 67 ALA H 1 67 ALA MB . . 3.490 2.299 1.955 2.898 . 0 0 "[ . 1 . 2]" 2
325 1 67 ALA H 1 69 LEU H . . 5.310 5.168 4.874 5.311 0.001 6 0 "[ . 1 . 2]" 2
326 1 67 ALA MB 1 68 ASP H . . 4.160 2.952 1.857 3.793 . 0 0 "[ . 1 . 2]" 2
327 1 68 ASP HA 1 69 LEU H . . 3.990 2.928 2.338 3.642 . 0 0 "[ . 1 . 2]" 2
328 1 68 ASP HB3 1 69 LEU H . . 5.010 3.791 2.316 4.722 . 0 0 "[ . 1 . 2]" 2
329 1 68 ASP H 1 68 ASP HB3 . . 4.070 3.455 2.633 4.060 . 0 0 "[ . 1 . 2]" 2
330 1 68 ASP H 1 69 LEU HG . . 5.500 4.465 2.244 5.495 . 0 0 "[ . 1 . 2]" 2
331 1 68 ASP H 1 69 LEU H . . 4.300 2.620 1.905 3.905 . 0 0 "[ . 1 . 2]" 2
332 1 69 LEU H 1 69 LEU HG . . 3.480 2.709 2.020 3.451 . 0 0 "[ . 1 . 2]" 2
333 1 69 LEU H 1 69 LEU MD1 . . 5.090 3.737 2.612 4.419 . 0 0 "[ . 1 . 2]" 2
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