NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
371164 |
1cfa   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cfa
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 699
_Distance_constraint_stats_list.Viol_count 1721
_Distance_constraint_stats_list.Viol_total 3813.332
_Distance_constraint_stats_list.Viol_max 0.497
_Distance_constraint_stats_list.Viol_rms 0.0526
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0136
_Distance_constraint_stats_list.Viol_average_violations_only 0.1108
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LEU 0.024 0.017 14 0 "[ . 1 . 2]"
1 3 GLN 0.163 0.046 7 0 "[ . 1 . 2]"
1 4 LYS 0.171 0.046 7 0 "[ . 1 . 2]"
1 5 LYS 0.092 0.021 5 0 "[ . 1 . 2]"
1 6 ILE 0.204 0.070 19 0 "[ . 1 . 2]"
1 7 GLU 0.404 0.097 11 0 "[ . 1 . 2]"
1 8 GLU 7.710 0.363 17 0 "[ . 1 . 2]"
1 9 ILE 3.126 0.377 9 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 7.299 0.363 17 0 "[ . 1 . 2]"
1 12 LYS 0.400 0.050 13 0 "[ . 1 . 2]"
1 13 TYR 25.117 0.497 11 0 "[ . 1 . 2]"
1 14 LYS 1.744 0.202 2 0 "[ . 1 . 2]"
1 15 HIS 0.675 0.050 18 0 "[ . 1 . 2]"
1 16 SER 1.056 0.067 3 0 "[ . 1 . 2]"
1 17 VAL 1.974 0.148 12 0 "[ . 1 . 2]"
1 18 VAL 12.615 0.356 14 0 "[ . 1 . 2]"
1 19 LYS 0.710 0.041 8 0 "[ . 1 . 2]"
1 20 LYS 2.162 0.139 18 0 "[ . 1 . 2]"
1 21 CYS 17.425 0.463 1 0 "[ . 1 . 2]"
1 22 CYS 13.655 0.386 1 0 "[ . 1 . 2]"
1 23 TYR 3.477 0.139 18 0 "[ . 1 . 2]"
1 24 ASP 10.186 0.452 1 0 "[ . 1 . 2]"
1 25 GLY 3.492 0.261 8 0 "[ . 1 . 2]"
1 26 ALA 1.148 0.094 17 0 "[ . 1 . 2]"
1 27 SER 9.361 0.288 11 0 "[ . 1 . 2]"
1 28 VAL 4.209 0.134 2 0 "[ . 1 . 2]"
1 29 ASN 4.287 0.211 14 0 "[ . 1 . 2]"
1 30 ASN 0.073 0.010 17 0 "[ . 1 . 2]"
1 31 ASP 0.637 0.060 16 0 "[ . 1 . 2]"
1 32 GLU 3.245 0.211 14 0 "[ . 1 . 2]"
1 33 THR 2.299 0.117 13 0 "[ . 1 . 2]"
1 34 CYS 5.126 0.274 17 0 "[ . 1 . 2]"
1 35 GLU 4.017 0.286 6 0 "[ . 1 . 2]"
1 36 GLN 1.179 0.081 14 0 "[ . 1 . 2]"
1 37 ARG 3.305 0.117 13 0 "[ . 1 . 2]"
1 38 ALA 1.009 0.081 12 0 "[ . 1 . 2]"
1 39 ALA 0.904 0.113 9 0 "[ . 1 . 2]"
1 40 ARG 0.356 0.124 1 0 "[ . 1 . 2]"
1 41 ILE 4.634 0.267 12 0 "[ . 1 . 2]"
1 42 SER 0.127 0.073 15 0 "[ . 1 . 2]"
1 43 LEU 1.550 0.215 4 0 "[ . 1 . 2]"
1 44 GLY 3.093 0.215 3 0 "[ . 1 . 2]"
1 45 PRO 1.115 0.112 9 0 "[ . 1 . 2]"
1 46 ARG 0.009 0.009 8 0 "[ . 1 . 2]"
1 47 CYS 12.261 0.463 1 0 "[ . 1 . 2]"
1 48 ILE 15.581 0.374 3 0 "[ . 1 . 2]"
1 49 LYS 0.376 0.099 17 0 "[ . 1 . 2]"
1 50 ALA 10.245 0.356 14 0 "[ . 1 . 2]"
1 51 PHE 48.367 0.497 11 0 "[ . 1 . 2]"
1 52 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 5.577 0.211 20 0 "[ . 1 . 2]"
1 54 CYS 14.935 0.363 5 0 "[ . 1 . 2]"
1 55 CYS 5.381 0.274 17 0 "[ . 1 . 2]"
1 56 VAL 3.358 0.184 11 0 "[ . 1 . 2]"
1 57 VAL 7.688 0.211 20 0 "[ . 1 . 2]"
1 58 ALA 3.775 0.160 9 0 "[ . 1 . 2]"
1 59 SER 4.294 0.147 10 0 "[ . 1 . 2]"
1 60 GLN 3.737 0.147 10 0 "[ . 1 . 2]"
1 61 LEU 7.522 0.494 14 0 "[ . 1 . 2]"
1 62 ARG 5.659 0.494 14 0 "[ . 1 . 2]"
1 63 ALA 0.116 0.034 7 0 "[ . 1 . 2]"
1 64 ASN 1.018 0.122 13 0 "[ . 1 . 2]"
1 65 ILE 7.035 0.281 20 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 HIS 0.374 0.070 4 0 "[ . 1 . 2]"
1 68 LYS 0.283 0.070 4 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 MET 0.249 0.040 15 0 "[ . 1 . 2]"
1 71 CYS 6.793 0.340 15 0 "[ . 1 . 2]"
2 1 CYS 14.085 0.363 5 0 "[ . 1 . 2]"
2 2 LEU 3.022 0.257 1 0 "[ . 1 . 2]"
2 3 GLY 0.069 0.025 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 2 LEU HA 1 3 GLN H 3.290 . 3.500 2.785 2.191 3.517 0.017 14 0 "[ . 1 . 2]" 1
2 1 2 LEU HB3 1 3 GLN H 3.580 . 5.000 3.503 2.012 4.322 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLN H 1 3 GLN HB3 3.450 . 3.500 3.196 2.574 3.508 0.008 9 0 "[ . 1 . 2]" 1
4 1 3 GLN HA 1 4 LYS H 3.160 . 3.500 2.772 2.198 3.546 0.046 7 0 "[ . 1 . 2]" 1
5 1 3 GLN HB3 1 4 LYS H 4.530 . 5.000 3.992 2.845 4.680 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN HB2 1 4 LYS H 3.920 . 5.000 3.941 1.890 4.673 0.010 1 0 "[ . 1 . 2]" 1
7 1 3 GLN H 1 3 GLN HG3 4.180 . 5.000 3.645 2.380 4.782 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLN H 1 3 GLN HB2 3.720 . 5.000 3.241 2.095 3.986 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLN H 1 4 LYS H 4.470 . 5.000 3.333 1.876 4.663 0.024 17 0 "[ . 1 . 2]" 1
10 1 4 LYS HA 1 5 LYS H 3.360 . 3.500 2.468 2.188 2.834 . 0 0 "[ . 1 . 2]" 1
11 1 4 LYS HA 1 7 GLU H 3.940 . 5.000 4.621 3.848 5.018 0.018 11 0 "[ . 1 . 2]" 1
12 1 5 LYS H 1 6 ILE H 3.960 . 5.000 2.931 2.166 3.922 . 0 0 "[ . 1 . 2]" 1
13 1 5 LYS HA 1 6 ILE H 3.970 . 5.000 3.525 3.309 3.592 . 0 0 "[ . 1 . 2]" 1
14 1 5 LYS HA 1 9 ILE HG13 4.000 . 5.000 4.376 3.508 5.021 0.021 5 0 "[ . 1 . 2]" 1
15 1 5 LYS HA 1 8 GLU HG2 4.640 . 5.000 4.754 3.863 5.018 0.018 4 0 "[ . 1 . 2]" 1
16 1 6 ILE MD 1 13 TYR HE1 3.640 . 7.000 4.614 3.917 4.907 . 0 0 "[ . 1 . 2]" 1
17 1 6 ILE MG 1 10 ALA H 4.120 . 6.000 3.421 3.296 3.650 . 0 0 "[ . 1 . 2]" 1
18 1 6 ILE H 1 6 ILE MD 4.060 . 6.000 4.026 3.701 4.350 . 0 0 "[ . 1 . 2]" 1
19 1 6 ILE H 1 6 ILE MG 3.870 . 6.000 3.622 3.180 3.734 . 0 0 "[ . 1 . 2]" 1
20 1 6 ILE MG 1 7 GLU H 3.890 . 6.000 3.595 3.254 3.821 . 0 0 "[ . 1 . 2]" 1
21 1 6 ILE MD 1 58 ALA H 3.840 . 6.000 3.354 3.133 3.767 . 0 0 "[ . 1 . 2]" 1
22 1 6 ILE HA 1 9 ILE H 4.000 . 5.000 3.270 3.004 3.740 . 0 0 "[ . 1 . 2]" 1
23 1 6 ILE H 1 7 GLU H 3.560 . 5.000 2.528 2.158 2.709 . 0 0 "[ . 1 . 2]" 1
24 1 6 ILE HG12 1 7 GLU H 4.640 . 5.000 4.850 4.683 5.070 0.070 19 0 "[ . 1 . 2]" 1
25 1 6 ILE HA 1 6 ILE MD 3.110 . 4.500 2.040 1.842 2.436 0.058 10 0 "[ . 1 . 2]" 1
26 1 6 ILE MG 1 9 ILE HB 3.370 . 4.500 2.822 2.221 3.601 . 0 0 "[ . 1 . 2]" 1
27 1 6 ILE MG 1 26 ALA MB 3.260 . 5.500 2.391 2.139 2.978 . 0 0 "[ . 1 . 2]" 1
28 1 6 ILE HB 1 6 ILE MG 3.380 . 4.500 2.146 2.134 2.152 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE MG 1 58 ALA HA 3.380 . 4.500 3.441 2.928 3.582 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE HA 1 6 ILE MG 3.050 . 4.500 2.638 2.433 2.992 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE HG12 1 6 ILE MG 3.210 . 4.500 3.184 3.180 3.187 . 0 0 "[ . 1 . 2]" 1
32 1 6 ILE HG12 1 57 VAL MG2 3.210 . 4.500 3.539 3.460 3.632 . 0 0 "[ . 1 . 2]" 1
33 1 6 ILE H 1 6 ILE HB 3.420 . 3.500 2.243 2.150 2.362 . 0 0 "[ . 1 . 2]" 1
34 1 6 ILE MG 1 58 ALA MB 3.640 . 7.000 2.301 2.024 2.746 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE MD 1 58 ALA HA 3.800 . 6.000 3.322 3.010 3.739 . 0 0 "[ . 1 . 2]" 1
36 1 6 ILE MD 1 54 CYS HA 3.800 . 6.000 3.475 3.183 3.747 . 0 0 "[ . 1 . 2]" 1
37 1 6 ILE MD 1 71 CYS HB3 4.500 . 6.000 5.045 4.964 5.101 . 0 0 "[ . 1 . 2]" 1
38 1 6 ILE HB 1 6 ILE MD 4.380 . 6.000 3.184 3.172 3.191 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE H 1 6 ILE HG13 3.950 . 5.000 3.904 3.660 4.311 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLU HG3 1 8 GLU H 3.730 . 5.000 4.088 1.940 4.794 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLU H 1 8 GLU H 3.500 . 5.000 3.231 3.080 3.490 . 0 0 "[ . 1 . 2]" 1
42 1 7 GLU HA 1 23 TYR HE2 4.110 . 5.000 3.467 3.199 3.879 . 0 0 "[ . 1 . 2]" 1
43 1 7 GLU HA 1 10 ALA MB 3.330 . 4.500 3.259 3.037 3.437 . 0 0 "[ . 1 . 2]" 1
44 1 7 GLU HA 1 8 GLU H 4.070 . 5.000 3.576 3.523 3.607 . 0 0 "[ . 1 . 2]" 1
45 1 7 GLU H 1 7 GLU HB3 3.480 . 3.500 3.129 2.464 3.597 0.097 11 0 "[ . 1 . 2]" 1
46 1 7 GLU HA 1 10 ALA H 4.340 . 5.000 3.853 3.706 4.042 . 0 0 "[ . 1 . 2]" 1
47 1 7 GLU H 1 7 GLU HG3 4.030 . 5.000 3.918 2.618 4.554 . 0 0 "[ . 1 . 2]" 1
48 1 7 GLU H 1 7 GLU HG2 4.340 . 5.000 4.086 1.868 4.701 0.032 15 0 "[ . 1 . 2]" 1
49 1 7 GLU HB3 1 8 GLU H 3.610 . 5.000 2.165 1.859 3.800 0.041 12 0 "[ . 1 . 2]" 1
50 1 8 GLU HA 1 9 ILE H 3.390 . 3.500 3.522 3.509 3.534 0.034 9 0 "[ . 1 . 2]" 1
51 1 8 GLU HA 1 11 ALA HA 3.120 . 3.500 3.835 3.776 3.863 0.363 17 0 "[ . 1 . 2]" 1
52 1 8 GLU HG3 1 9 ILE MD 4.050 . 6.000 3.939 3.041 4.918 . 0 0 "[ . 1 . 2]" 1
53 1 8 GLU H 1 8 GLU HG3 3.610 . 5.000 3.284 2.499 3.681 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLU H 1 9 ILE H 3.780 . 5.000 2.580 2.424 2.634 . 0 0 "[ . 1 . 2]" 1
55 1 8 GLU H 1 8 GLU HB3 3.320 . 3.500 2.627 2.501 2.862 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLU H 1 8 GLU HG2 4.000 . 5.000 2.036 1.896 2.223 0.004 4 0 "[ . 1 . 2]" 1
57 1 8 GLU HA 1 11 ALA H 3.800 . 5.000 2.287 2.217 2.402 . 0 0 "[ . 1 . 2]" 1
58 1 8 GLU HA 1 8 GLU HG2 3.810 . 5.000 3.683 3.503 3.812 . 0 0 "[ . 1 . 2]" 1
59 1 8 GLU HA 1 23 TYR HE2 4.470 . 5.000 5.020 5.001 5.043 0.043 6 0 "[ . 1 . 2]" 1
60 1 9 ILE H 1 9 ILE MG 3.880 . 6.000 3.778 3.744 3.791 . 0 0 "[ . 1 . 2]" 1
61 1 9 ILE H 1 9 ILE HG13 4.280 . 5.000 2.948 2.058 3.723 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE MD 1 9 ILE HG12 3.100 . 4.500 2.129 2.109 2.151 . 0 0 "[ . 1 . 2]" 1
63 1 9 ILE HA 1 9 ILE MD 3.200 . 4.500 2.766 1.833 3.806 0.067 2 0 "[ . 1 . 2]" 1
64 1 9 ILE HB 1 10 ALA H 3.410 . 3.500 2.766 2.632 2.887 . 0 0 "[ . 1 . 2]" 1
65 1 9 ILE HA 1 10 ALA H 4.320 . 5.000 3.474 3.454 3.502 . 0 0 "[ . 1 . 2]" 1
66 1 9 ILE H 1 9 ILE HB 3.480 . 3.500 2.530 2.367 2.689 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE MG 1 13 TYR HE1 3.110 . 4.500 2.521 2.062 3.204 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE MD 1 9 ILE HG13 3.980 . 6.000 2.127 2.107 2.150 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE MD 1 9 ILE MG 3.900 . 7.000 1.788 1.523 2.036 0.377 9 0 "[ . 1 . 2]" 1
70 1 9 ILE HA 1 9 ILE HG13 3.870 . 5.000 3.413 2.787 3.801 . 0 0 "[ . 1 . 2]" 1
71 1 9 ILE H 1 9 ILE MD 4.030 . 6.000 3.531 3.074 3.833 . 0 0 "[ . 1 . 2]" 1
72 1 9 ILE HB 1 9 ILE MD 4.050 . 6.000 2.840 2.282 3.192 . 0 0 "[ . 1 . 2]" 1
73 1 9 ILE MG 1 13 TYR HD1 3.880 . 6.000 4.173 3.555 4.885 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE HA 1 9 ILE MG 3.120 . 4.500 2.383 2.224 2.509 . 0 0 "[ . 1 . 2]" 1
75 1 9 ILE HA 1 9 ILE HG12 3.930 . 5.000 2.685 2.295 3.145 . 0 0 "[ . 1 . 2]" 1
76 1 9 ILE HB 1 9 ILE MG 3.200 . 4.500 2.133 2.108 2.150 . 0 0 "[ . 1 . 2]" 1
77 1 9 ILE MG 1 10 ALA H 3.830 . 6.000 3.573 3.344 3.806 . 0 0 "[ . 1 . 2]" 1
78 1 9 ILE H 1 9 ILE HG12 3.640 . 5.000 2.677 1.876 3.728 0.024 19 0 "[ . 1 . 2]" 1
79 1 9 ILE HA 1 12 LYS HE3 4.490 . 5.000 4.040 2.797 5.009 0.009 7 0 "[ . 1 . 2]" 1
80 1 9 ILE H 1 10 ALA H 3.450 . 3.500 2.563 2.484 2.605 . 0 0 "[ . 1 . 2]" 1
81 1 9 ILE HG12 1 9 ILE MG 3.750 . 6.000 2.833 2.288 3.196 . 0 0 "[ . 1 . 2]" 1
82 1 10 ALA H 1 11 ALA H 3.490 . 3.500 2.199 2.125 2.272 . 0 0 "[ . 1 . 2]" 1
83 1 10 ALA H 1 10 ALA MB 3.020 . 4.500 2.258 2.174 2.316 . 0 0 "[ . 1 . 2]" 1
84 1 10 ALA HA 1 13 TYR H 4.190 . 5.000 3.331 2.844 4.344 . 0 0 "[ . 1 . 2]" 1
85 1 10 ALA MB 1 11 ALA H 3.520 . 6.000 2.662 2.539 2.818 . 0 0 "[ . 1 . 2]" 1
86 1 10 ALA HA 1 13 TYR HD1 3.150 . 3.500 2.763 2.549 3.047 . 0 0 "[ . 1 . 2]" 1
87 1 10 ALA MB 1 23 TYR QD 4.360 . 6.000 2.625 2.243 3.206 . 0 0 "[ . 1 . 2]" 1
88 1 10 ALA MB 1 13 TYR HD1 3.850 . 7.000 4.296 3.967 4.624 . 0 0 "[ . 1 . 2]" 1
89 1 10 ALA MB 1 19 LYS HA 4.850 . 6.000 4.350 3.882 4.808 . 0 0 "[ . 1 . 2]" 1
90 1 10 ALA MB 1 23 TYR HE2 3.350 . 4.500 3.481 3.269 3.596 . 0 0 "[ . 1 . 2]" 1
91 1 10 ALA HA 1 13 TYR HE1 3.680 . 5.000 3.345 2.468 4.011 . 0 0 "[ . 1 . 2]" 1
92 1 10 ALA HA 1 10 ALA MB 3.170 . 4.500 2.156 2.144 2.161 . 0 0 "[ . 1 . 2]" 1
93 1 10 ALA MB 1 23 TYR HA 3.170 . 4.500 2.970 2.615 3.552 . 0 0 "[ . 1 . 2]" 1
94 1 10 ALA HA 1 22 CYS HB3 4.660 . 5.000 3.576 2.910 4.365 . 0 0 "[ . 1 . 2]" 1
95 1 10 ALA HA 1 22 CYS HB2 3.770 . 5.000 4.182 3.817 4.592 . 0 0 "[ . 1 . 2]" 1
96 1 11 ALA HA 1 19 LYS HD3 2.880 . 3.500 3.530 3.520 3.541 0.041 8 0 "[ . 1 . 2]" 1
97 1 11 ALA HA 1 11 ALA MB 2.880 . 4.500 2.138 2.135 2.142 . 0 0 "[ . 1 . 2]" 1
98 1 11 ALA MB 1 12 LYS H 3.330 . 4.500 2.799 2.544 2.963 . 0 0 "[ . 1 . 2]" 1
99 1 11 ALA H 1 12 LYS H 3.720 . 5.000 2.709 2.657 2.756 . 0 0 "[ . 1 . 2]" 1
100 1 11 ALA MB 1 23 TYR HE1 4.540 . 6.000 3.596 3.296 3.906 . 0 0 "[ . 1 . 2]" 1
101 1 11 ALA H 1 11 ALA MB 2.820 . 4.500 2.260 2.236 2.273 . 0 0 "[ . 1 . 2]" 1
102 1 12 LYS H 1 12 LYS HG3 4.220 . 5.000 3.714 3.008 4.459 . 0 0 "[ . 1 . 2]" 1
103 1 12 LYS HG3 1 13 TYR H 4.220 . 5.000 4.780 3.428 5.050 0.050 13 0 "[ . 1 . 2]" 1
104 1 12 LYS HB3 1 12 LYS HE3 3.540 . 5.000 3.749 2.466 4.746 . 0 0 "[ . 1 . 2]" 1
105 1 12 LYS HB3 1 13 TYR H 3.640 . 5.000 3.800 3.215 4.198 . 0 0 "[ . 1 . 2]" 1
106 1 12 LYS H 1 13 TYR HD1 3.460 . 3.500 3.178 2.882 3.362 . 0 0 "[ . 1 . 2]" 1
107 1 12 LYS HB3 1 13 TYR HE1 4.530 . 5.000 4.666 3.478 5.049 0.049 17 0 "[ . 1 . 2]" 1
108 1 12 LYS HA 1 12 LYS HD3 3.830 . 5.000 3.456 1.892 5.014 0.014 5 0 "[ . 1 . 2]" 1
109 1 12 LYS HA 1 13 TYR H 3.280 . 3.500 3.407 3.051 3.506 0.006 1 0 "[ . 1 . 2]" 1
110 1 12 LYS H 1 12 LYS HB3 3.640 . 5.000 3.326 2.418 3.656 . 0 0 "[ . 1 . 2]" 1
111 1 12 LYS HD3 1 13 TYR H 3.900 . 5.000 4.865 4.537 5.027 0.027 7 0 "[ . 1 . 2]" 1
112 1 12 LYS H 1 12 LYS HD3 3.900 . 5.000 2.976 2.199 4.518 . 0 0 "[ . 1 . 2]" 1
113 1 12 LYS HA 1 12 LYS HG3 4.110 . 5.000 2.366 1.965 3.751 . 0 0 "[ . 1 . 2]" 1
114 1 12 LYS HE3 1 12 LYS HG3 3.810 . 5.000 3.553 2.479 4.203 . 0 0 "[ . 1 . 2]" 1
115 1 13 TYR HB3 1 13 TYR HE2 4.020 . 5.000 4.694 4.671 4.727 . 0 0 "[ . 1 . 2]" 1
116 1 13 TYR HD2 1 18 VAL HB 4.860 . 5.000 4.934 4.725 5.056 0.056 12 0 "[ . 1 . 2]" 1
117 1 13 TYR HD1 1 19 LYS HA 4.220 . 5.000 4.765 4.587 5.029 0.029 13 0 "[ . 1 . 2]" 1
118 1 13 TYR HD2 1 18 VAL MG1 3.730 . 6.000 4.302 4.160 4.499 . 0 0 "[ . 1 . 2]" 1
119 1 13 TYR HD2 1 50 ALA MB 3.730 . 6.000 1.913 1.833 2.016 0.067 12 0 "[ . 1 . 2]" 1
120 1 13 TYR HE2 1 18 VAL MG2 3.940 . 6.000 3.920 3.687 4.081 . 0 0 "[ . 1 . 2]" 1
121 1 13 TYR HA 1 13 TYR HE1 4.200 . 5.000 4.677 4.499 4.839 . 0 0 "[ . 1 . 2]" 1
122 1 13 TYR H 1 13 TYR HD1 3.460 . 3.500 1.868 1.820 2.345 0.080 18 0 "[ . 1 . 2]" 1
123 1 13 TYR HA 1 14 LYS H 3.360 . 3.500 2.224 2.164 2.265 . 0 0 "[ . 1 . 2]" 1
124 1 13 TYR HE2 1 51 PHE HA 3.930 . 5.000 3.657 3.558 3.763 . 0 0 "[ . 1 . 2]" 1
125 1 13 TYR H 1 19 LYS HB2 4.130 . 5.000 4.280 3.688 4.735 . 0 0 "[ . 1 . 2]" 1
126 1 13 TYR HD2 1 51 PHE HA 3.150 . 3.500 3.970 3.913 3.997 0.497 11 0 "[ . 1 . 2]" 1
127 1 13 TYR HD2 1 18 VAL MG2 3.400 . 4.500 2.079 1.864 2.250 0.036 1 0 "[ . 1 . 2]" 1
128 1 13 TYR HB2 1 14 LYS H 4.090 . 5.000 4.552 4.433 4.582 . 0 0 "[ . 1 . 2]" 1
129 1 13 TYR HD1 1 14 LYS H 4.310 . 5.000 4.740 4.569 4.880 . 0 0 "[ . 1 . 2]" 1
130 1 13 TYR HD2 1 54 CYS HB2 3.350 . 3.500 3.545 3.509 3.589 0.089 12 0 "[ . 1 . 2]" 1
131 1 13 TYR HB2 1 13 TYR HD2 3.350 . 3.500 3.388 3.313 3.450 . 0 0 "[ . 1 . 2]" 1
132 1 13 TYR HB2 1 13 TYR HD1 3.350 . 3.500 2.886 2.806 2.996 . 0 0 "[ . 1 . 2]" 1
133 1 13 TYR HB3 1 13 TYR HD2 3.280 . 3.500 2.438 2.407 2.498 . 0 0 "[ . 1 . 2]" 1
134 1 13 TYR HB3 1 13 TYR HD1 3.280 . 3.500 3.701 3.679 3.713 0.213 3 0 "[ . 1 . 2]" 1
135 1 13 TYR HA 1 13 TYR HD1 3.060 . 3.500 2.807 2.570 3.024 . 0 0 "[ . 1 . 2]" 1
136 1 13 TYR HB3 1 22 CYS HB2 3.170 . 3.500 3.643 3.612 3.685 0.185 13 0 "[ . 1 . 2]" 1
137 1 13 TYR HE2 1 50 ALA MB 3.640 . 7.000 3.282 3.145 3.380 . 0 0 "[ . 1 . 2]" 1
138 1 13 TYR HD2 1 50 ALA HA 3.120 . 3.500 3.627 3.560 3.695 0.195 13 0 "[ . 1 . 2]" 1
139 1 13 TYR HB2 1 13 TYR HE1 4.680 . 5.000 4.953 4.905 5.015 0.015 13 0 "[ . 1 . 2]" 1
140 1 13 TYR HE2 1 54 CYS HB2 4.680 . 5.000 1.879 1.854 1.927 0.046 12 0 "[ . 1 . 2]" 1
141 1 13 TYR HE2 1 22 CYS HA 3.640 . 5.000 4.430 4.366 4.504 . 0 0 "[ . 1 . 2]" 1
142 1 13 TYR HB3 1 18 VAL MG1 4.730 . 6.000 2.655 2.301 2.927 . 0 0 "[ . 1 . 2]" 1
143 1 13 TYR HB2 1 19 LYS HG3 4.020 . 5.000 4.389 4.230 4.518 . 0 0 "[ . 1 . 2]" 1
144 1 13 TYR HB3 1 50 ALA MB 4.730 . 6.000 3.300 3.185 3.406 . 0 0 "[ . 1 . 2]" 1
145 1 13 TYR HD2 1 19 LYS HA 4.010 . 5.000 4.615 4.468 4.798 . 0 0 "[ . 1 . 2]" 1
146 1 13 TYR HD1 1 22 CYS HB2 4.700 . 5.000 4.869 4.728 5.003 0.003 1 0 "[ . 1 . 2]" 1
147 1 13 TYR HB3 1 19 LYS HA 4.020 . 5.000 2.658 2.473 2.899 . 0 0 "[ . 1 . 2]" 1
148 1 13 TYR HB2 1 19 LYS HA 4.250 . 5.000 1.981 1.864 2.184 0.036 3 0 "[ . 1 . 2]" 1
149 1 13 TYR HD2 1 22 CYS HB2 4.700 . 5.000 1.984 1.887 2.084 0.013 15 0 "[ . 1 . 2]" 1
150 1 13 TYR HE2 1 50 ALA HA 3.640 . 5.000 3.393 3.259 3.466 . 0 0 "[ . 1 . 2]" 1
151 1 13 TYR HE2 1 22 CYS HB3 4.100 . 5.000 4.251 4.142 4.340 . 0 0 "[ . 1 . 2]" 1
152 1 13 TYR HB2 2 2 LEU HA 3.600 . 5.000 4.589 3.992 4.877 . 0 0 "[ . 1 . 2]" 1
153 1 13 TYR H 1 13 TYR HB3 3.620 . 5.000 3.616 3.596 3.696 . 0 0 "[ . 1 . 2]" 1
154 1 13 TYR HB3 1 18 VAL MG2 4.410 . 6.000 1.756 1.713 1.821 0.187 10 0 "[ . 1 . 2]" 1
155 1 13 TYR HB2 1 18 VAL MG2 4.110 . 6.000 3.204 3.147 3.269 . 0 0 "[ . 1 . 2]" 1
156 1 14 LYS HA 1 15 HIS HD2 3.710 . 5.000 2.940 2.765 3.940 . 0 0 "[ . 1 . 2]" 1
157 1 14 LYS HA 2 3 GLY H 3.860 . 5.000 4.744 4.365 5.025 0.025 17 0 "[ . 1 . 2]" 1
158 1 14 LYS H 1 15 HIS H 4.240 . 5.000 4.234 4.104 4.601 . 0 0 "[ . 1 . 2]" 1
159 1 14 LYS H 1 14 LYS HB3 4.090 . 5.000 3.675 3.471 3.730 . 0 0 "[ . 1 . 2]" 1
160 1 14 LYS H 1 14 LYS HG3 4.190 . 5.000 4.125 3.650 4.503 . 0 0 "[ . 1 . 2]" 1
161 1 14 LYS HG3 1 15 HIS H 4.520 . 5.000 3.495 2.588 4.110 . 0 0 "[ . 1 . 2]" 1
162 1 14 LYS HG3 1 15 HIS HD2 3.160 . 3.500 2.824 2.335 3.527 0.027 2 0 "[ . 1 . 2]" 1
163 1 14 LYS HB3 1 18 VAL MG1 3.100 . 4.500 1.823 1.698 1.960 0.202 2 0 "[ . 1 . 2]" 1
164 1 14 LYS HA 1 18 VAL MG1 3.000 . 4.500 3.295 3.150 3.385 . 0 0 "[ . 1 . 2]" 1
165 1 14 LYS H 2 3 GLY H 4.010 . 5.000 3.062 2.288 3.760 . 0 0 "[ . 1 . 2]" 1
166 1 14 LYS HB2 2 3 GLY H 4.040 . 5.000 2.386 1.984 2.934 . 0 0 "[ . 1 . 2]" 1
167 1 14 LYS HB3 2 3 GLY H 3.640 . 5.000 3.923 3.394 4.597 . 0 0 "[ . 1 . 2]" 1
168 1 14 LYS HB3 1 18 VAL MG2 4.110 . 6.000 4.320 4.050 4.466 . 0 0 "[ . 1 . 2]" 1
169 1 15 HIS HB3 1 15 HIS HE1 4.300 . 5.000 4.990 4.749 5.050 0.050 18 0 "[ . 1 . 2]" 1
170 1 15 HIS H 1 18 VAL MG1 3.920 . 6.000 4.090 3.864 4.210 . 0 0 "[ . 1 . 2]" 1
171 1 15 HIS HB3 1 15 HIS HD2 3.750 . 5.000 3.560 3.430 4.004 . 0 0 "[ . 1 . 2]" 1
172 1 15 HIS HB2 1 15 HIS HD2 4.000 . 5.000 3.816 3.036 3.931 . 0 0 "[ . 1 . 2]" 1
173 1 15 HIS HA 1 17 VAL H 4.610 . 5.000 4.702 4.015 5.021 0.021 20 0 "[ . 1 . 2]" 1
174 1 15 HIS H 1 15 HIS HB3 3.820 . 5.000 2.641 2.502 3.624 . 0 0 "[ . 1 . 2]" 1
175 1 15 HIS HA 1 15 HIS HD2 4.040 . 5.000 3.918 3.826 4.076 . 0 0 "[ . 1 . 2]" 1
176 1 15 HIS HD2 1 18 VAL MG1 3.560 . 6.000 4.610 4.337 5.107 . 0 0 "[ . 1 . 2]" 1
177 1 16 SER HA 1 17 VAL H 3.470 . 3.500 3.553 3.538 3.567 0.067 3 0 "[ . 1 . 2]" 1
178 1 17 VAL HB 1 18 VAL MG1 4.380 . 6.000 4.492 3.837 4.903 . 0 0 "[ . 1 . 2]" 1
179 1 17 VAL H 1 18 VAL H 3.920 . 5.000 2.017 1.923 2.341 . 0 0 "[ . 1 . 2]" 1
180 1 17 VAL H 2 3 GLY QA 4.170 . 6.000 5.052 4.972 5.234 . 0 0 "[ . 1 . 2]" 1
181 1 17 VAL HB 1 17 VAL MG1 3.180 . 4.500 2.134 2.111 2.149 . 0 0 "[ . 1 . 2]" 1
182 1 17 VAL HA 1 17 VAL MG1 3.040 . 4.500 2.451 2.017 3.190 . 0 0 "[ . 1 . 2]" 1
183 1 17 VAL H 1 17 VAL HB 3.590 . 5.000 3.121 2.656 3.864 . 0 0 "[ . 1 . 2]" 1
184 1 17 VAL HA 1 20 LYS H 4.260 . 5.000 4.006 3.716 4.235 . 0 0 "[ . 1 . 2]" 1
185 1 17 VAL HA 1 17 VAL MG2 3.290 . 4.500 2.478 2.085 3.159 . 0 0 "[ . 1 . 2]" 1
186 1 17 VAL HB 1 17 VAL MG2 3.170 . 4.500 2.136 2.111 2.152 . 0 0 "[ . 1 . 2]" 1
187 1 17 VAL MG1 1 18 VAL H 4.100 . 6.000 3.135 1.752 4.065 0.148 12 0 "[ . 1 . 2]" 1
188 1 17 VAL H 1 17 VAL MG2 4.000 . 6.000 3.007 1.845 4.078 0.055 2 0 "[ . 1 . 2]" 1
189 1 17 VAL MG2 1 18 VAL H 4.150 . 6.000 3.260 1.815 3.970 0.085 2 0 "[ . 1 . 2]" 1
190 1 17 VAL HB 1 18 VAL H 3.870 . 5.000 2.853 2.186 3.619 . 0 0 "[ . 1 . 2]" 1
191 1 17 VAL H 1 17 VAL MG1 3.360 . 4.500 3.546 2.674 3.842 . 0 0 "[ . 1 . 2]" 1
192 1 18 VAL H 1 18 VAL MG1 3.250 . 4.500 2.120 1.819 2.261 0.081 8 0 "[ . 1 . 2]" 1
193 1 18 VAL HB 1 50 ALA MB 3.460 . 4.500 2.982 2.731 3.148 . 0 0 "[ . 1 . 2]" 1
194 1 18 VAL HB 1 19 LYS H 3.990 . 5.000 4.139 4.047 4.231 . 0 0 "[ . 1 . 2]" 1
195 1 18 VAL HB 1 18 VAL MG1 3.460 . 4.500 2.131 2.111 2.151 . 0 0 "[ . 1 . 2]" 1
196 1 18 VAL MG2 1 50 ALA H 4.530 . 6.000 4.054 3.938 4.178 . 0 0 "[ . 1 . 2]" 1
197 1 18 VAL HA 1 21 CYS HB3 4.260 . 5.000 3.485 3.252 3.651 . 0 0 "[ . 1 . 2]" 1
198 1 18 VAL MG1 1 19 LYS H 3.530 . 6.000 2.076 1.972 2.298 . 0 0 "[ . 1 . 2]" 1
199 1 18 VAL MG2 1 50 ALA HA 4.180 . 6.000 3.232 3.011 3.422 . 0 0 "[ . 1 . 2]" 1
200 1 18 VAL HA 1 18 VAL MG1 3.720 . 6.000 3.159 3.141 3.174 . 0 0 "[ . 1 . 2]" 1
201 1 18 VAL HA 1 21 CYS H 4.050 . 5.000 3.720 3.515 3.905 . 0 0 "[ . 1 . 2]" 1
202 1 18 VAL MG1 2 2 LEU HB2 3.850 . 6.000 4.299 3.716 4.890 . 0 0 "[ . 1 . 2]" 1
203 1 18 VAL H 1 18 VAL MG2 4.480 . 6.000 3.758 3.741 3.772 . 0 0 "[ . 1 . 2]" 1
204 1 18 VAL HA 1 50 ALA MB 3.720 . 6.000 2.728 2.387 2.992 . 0 0 "[ . 1 . 2]" 1
205 1 18 VAL MG2 1 19 LYS HA 4.860 . 6.000 3.676 3.509 3.821 . 0 0 "[ . 1 . 2]" 1
206 1 18 VAL MG1 1 19 LYS HB3 2.870 . 4.500 3.596 3.530 3.719 . 0 0 "[ . 1 . 2]" 1
207 1 18 VAL HB 1 18 VAL MG2 3.410 . 4.500 2.115 2.110 2.119 . 0 0 "[ . 1 . 2]" 1
208 1 18 VAL MG2 1 50 ALA MB 2.740 . 5.500 1.557 1.544 1.594 0.356 14 0 "[ . 1 . 2]" 1
209 1 18 VAL H 1 18 VAL HB 3.740 . 5.000 2.521 2.391 2.666 . 0 0 "[ . 1 . 2]" 1
210 1 18 VAL HA 1 18 VAL MG2 3.590 . 6.000 2.393 2.305 2.482 . 0 0 "[ . 1 . 2]" 1
211 1 18 VAL H 1 19 LYS H 3.630 . 5.000 2.873 2.786 2.938 . 0 0 "[ . 1 . 2]" 1
212 1 18 VAL MG2 1 19 LYS H 4.420 . 6.000 3.714 3.566 3.821 . 0 0 "[ . 1 . 2]" 1
213 1 18 VAL MG1 1 18 VAL MG2 2.740 . 5.500 1.936 1.847 2.028 0.053 10 0 "[ . 1 . 2]" 1
214 1 19 LYS HD3 1 23 TYR HE1 4.540 . 5.000 3.908 3.608 4.106 . 0 0 "[ . 1 . 2]" 1
215 1 19 LYS H 1 19 LYS HG3 4.420 . 5.000 4.334 4.245 4.360 . 0 0 "[ . 1 . 2]" 1
216 1 19 LYS HE3 1 23 TYR HE1 4.390 . 5.000 4.422 4.197 4.579 . 0 0 "[ . 1 . 2]" 1
217 1 19 LYS HB2 1 20 LYS H 4.180 . 5.000 3.571 3.490 3.684 . 0 0 "[ . 1 . 2]" 1
218 1 19 LYS H 1 19 LYS HB3 3.960 . 5.000 2.194 2.111 2.264 . 0 0 "[ . 1 . 2]" 1
219 1 19 LYS HG3 1 23 TYR QD 4.010 . 5.000 2.547 2.382 2.773 . 0 0 "[ . 1 . 2]" 1
220 1 19 LYS H 1 19 LYS HB2 3.190 . 3.500 2.973 2.871 3.116 . 0 0 "[ . 1 . 2]" 1
221 1 19 LYS HE3 1 23 TYR QD 3.690 . 5.000 4.882 4.819 4.945 . 0 0 "[ . 1 . 2]" 1
222 1 19 LYS HG3 1 23 TYR HE1 4.700 . 5.000 2.806 2.651 3.157 . 0 0 "[ . 1 . 2]" 1
223 1 19 LYS H 1 20 LYS H 3.940 . 5.000 3.177 3.021 3.325 . 0 0 "[ . 1 . 2]" 1
224 1 19 LYS HA 1 22 CYS HB2 4.150 . 5.000 4.859 4.700 4.986 . 0 0 "[ . 1 . 2]" 1
225 1 19 LYS HA 1 22 CYS HB3 4.020 . 5.000 3.285 3.098 3.429 . 0 0 "[ . 1 . 2]" 1
226 1 19 LYS HA 1 22 CYS H 4.510 . 5.000 3.730 3.477 3.963 . 0 0 "[ . 1 . 2]" 1
227 1 19 LYS HB3 1 20 LYS H 4.280 . 5.000 2.295 2.188 2.528 . 0 0 "[ . 1 . 2]" 1
228 1 19 LYS HE3 1 20 LYS HA 3.750 . 5.000 4.695 4.468 4.988 . 0 0 "[ . 1 . 2]" 1
229 1 20 LYS H 1 21 CYS H 3.880 . 5.000 2.843 2.756 2.918 . 0 0 "[ . 1 . 2]" 1
230 1 20 LYS HA 1 24 ASP H 4.440 . 5.000 3.974 3.877 4.091 . 0 0 "[ . 1 . 2]" 1
231 1 20 LYS HA 1 23 TYR QD 3.450 . 3.500 3.092 2.902 3.167 . 0 0 "[ . 1 . 2]" 1
232 1 20 LYS HA 1 21 CYS H 4.060 . 5.000 3.463 3.431 3.488 . 0 0 "[ . 1 . 2]" 1
233 1 20 LYS HA 1 23 TYR HB2 3.770 . 5.000 2.270 2.172 2.353 . 0 0 "[ . 1 . 2]" 1
234 1 20 LYS HA 1 23 TYR HB3 3.750 . 5.000 3.727 3.603 3.868 . 0 0 "[ . 1 . 2]" 1
235 1 20 LYS HA 1 23 TYR HE1 4.470 . 5.000 5.014 4.765 5.092 0.092 20 0 "[ . 1 . 2]" 1
236 1 20 LYS HA 1 23 TYR H 3.190 . 3.500 3.577 3.485 3.639 0.139 18 0 "[ . 1 . 2]" 1
237 1 21 CYS HB3 1 47 CYS HB3 3.600 . 5.000 1.839 1.815 1.861 0.085 3 0 "[ . 1 . 2]" 1
238 1 21 CYS HA 1 51 PHE HD2 4.110 . 5.000 4.103 3.939 4.265 . 0 0 "[ . 1 . 2]" 1
239 1 21 CYS HB2 1 50 ALA MB 3.400 . 4.500 2.936 2.727 3.211 . 0 0 "[ . 1 . 2]" 1
240 1 21 CYS HB3 1 51 PHE HD2 4.330 . 5.000 4.431 4.361 4.560 . 0 0 "[ . 1 . 2]" 1
241 1 21 CYS HB3 1 22 CYS H 3.230 . 3.500 3.041 2.884 3.176 . 0 0 "[ . 1 . 2]" 1
242 1 21 CYS HA 1 24 ASP H 4.470 . 5.000 3.253 3.166 3.300 . 0 0 "[ . 1 . 2]" 1
243 1 21 CYS HB3 1 51 PHE H 4.660 . 5.000 3.286 3.153 3.423 . 0 0 "[ . 1 . 2]" 1
244 1 21 CYS HA 1 51 PHE HB2 3.730 . 5.000 4.221 4.095 4.370 . 0 0 "[ . 1 . 2]" 1
245 1 21 CYS HA 1 47 CYS HB3 4.240 . 5.000 2.382 2.343 2.452 . 0 0 "[ . 1 . 2]" 1
246 1 21 CYS H 1 21 CYS HB2 4.060 . 5.000 2.449 2.331 2.536 . 0 0 "[ . 1 . 2]" 1
247 1 21 CYS HB2 1 22 CYS H 3.230 . 3.500 1.976 1.845 2.163 0.055 13 0 "[ . 1 . 2]" 1
248 1 21 CYS HB3 1 47 CYS HB2 3.500 . 3.500 3.290 3.277 3.309 . 0 0 "[ . 1 . 2]" 1
249 1 21 CYS HB3 1 24 ASP HB2 3.500 . 3.500 3.902 3.851 3.952 0.452 1 0 "[ . 1 . 2]" 1
250 1 21 CYS HA 1 24 ASP HB2 3.170 . 3.500 2.175 1.897 2.454 0.003 20 0 "[ . 1 . 2]" 1
251 1 21 CYS HA 1 47 CYS HB2 3.170 . 3.500 3.896 3.840 3.963 0.463 1 0 "[ . 1 . 2]" 1
252 1 21 CYS HA 1 22 CYS H 4.490 . 5.000 3.579 3.570 3.593 . 0 0 "[ . 1 . 2]" 1
253 1 21 CYS H 1 22 CYS H 3.800 . 5.000 2.832 2.733 2.926 . 0 0 "[ . 1 . 2]" 1
254 1 21 CYS HB3 1 50 ALA MB 3.400 . 4.500 3.127 2.991 3.239 . 0 0 "[ . 1 . 2]" 1
255 1 22 CYS HB3 1 23 TYR H 4.350 . 5.000 2.879 2.781 2.991 . 0 0 "[ . 1 . 2]" 1
256 1 22 CYS H 1 22 CYS HB2 3.580 . 5.000 2.897 2.791 3.022 . 0 0 "[ . 1 . 2]" 1
257 1 22 CYS H 1 50 ALA MB 3.830 . 6.000 3.399 3.186 3.625 . 0 0 "[ . 1 . 2]" 1
258 1 22 CYS HA 1 23 TYR H 3.080 . 3.500 3.540 3.518 3.551 0.051 18 0 "[ . 1 . 2]" 1
259 1 22 CYS HA 1 50 ALA MB 3.000 . 4.500 3.878 3.835 3.922 . 0 0 "[ . 1 . 2]" 1
260 1 22 CYS HB2 1 51 PHE HB2 3.440 . 3.500 3.852 3.826 3.886 0.386 1 0 "[ . 1 . 2]" 1
261 1 22 CYS HB3 1 51 PHE HA 4.660 . 5.000 4.166 4.098 4.216 . 0 0 "[ . 1 . 2]" 1
262 1 22 CYS HB2 1 51 PHE HA 3.770 . 5.000 2.718 2.656 2.777 . 0 0 "[ . 1 . 2]" 1
263 1 22 CYS HB3 1 23 TYR HA 4.660 . 5.000 4.868 4.750 4.966 . 0 0 "[ . 1 . 2]" 1
264 1 22 CYS HA 1 54 CYS HB2 3.600 . 5.000 3.898 3.827 4.003 . 0 0 "[ . 1 . 2]" 1
265 1 22 CYS HA 1 51 PHE HB2 3.600 . 5.000 1.765 1.726 1.799 0.174 20 0 "[ . 1 . 2]" 1
266 1 22 CYS H 1 23 TYR H 3.890 . 5.000 2.750 2.592 2.873 . 0 0 "[ . 1 . 2]" 1
267 1 22 CYS H 1 22 CYS HB3 3.660 . 5.000 2.191 2.120 2.293 . 0 0 "[ . 1 . 2]" 1
268 1 22 CYS HA 1 51 PHE H 4.680 . 5.000 3.717 3.664 3.783 . 0 0 "[ . 1 . 2]" 1
269 1 22 CYS HB2 1 23 TYR H 4.090 . 5.000 4.097 4.029 4.161 . 0 0 "[ . 1 . 2]" 1
270 1 23 TYR HA 1 23 TYR QD 3.230 . 3.500 3.002 2.919 3.053 . 0 0 "[ . 1 . 2]" 1
271 1 23 TYR H 1 23 TYR HB2 4.200 . 5.000 2.320 2.243 2.420 . 0 0 "[ . 1 . 2]" 1
272 1 23 TYR H 1 23 TYR QD 4.400 . 5.000 2.174 1.881 2.456 0.019 3 0 "[ . 1 . 2]" 1
273 1 23 TYR HA 1 27 SER H 4.450 . 5.000 4.172 3.858 4.355 . 0 0 "[ . 1 . 2]" 1
274 1 23 TYR H 1 24 ASP H 3.780 . 5.000 2.563 2.432 2.723 . 0 0 "[ . 1 . 2]" 1
275 1 23 TYR HA 1 24 ASP H 4.550 . 5.000 3.518 3.473 3.556 . 0 0 "[ . 1 . 2]" 1
276 1 23 TYR HA 1 23 TYR HE2 4.340 . 5.000 4.932 4.788 5.027 0.027 3 0 "[ . 1 . 2]" 1
277 1 23 TYR HA 1 26 ALA H 4.400 . 5.000 3.523 3.290 3.664 . 0 0 "[ . 1 . 2]" 1
278 1 23 TYR HB3 1 24 ASP H 4.070 . 5.000 3.415 3.032 3.783 . 0 0 "[ . 1 . 2]" 1
279 1 23 TYR HB2 1 24 ASP H 4.280 . 5.000 2.667 2.476 2.873 . 0 0 "[ . 1 . 2]" 1
280 1 23 TYR HB3 1 23 TYR HE2 4.390 . 5.000 4.690 4.673 4.712 . 0 0 "[ . 1 . 2]" 1
281 1 24 ASP H 1 24 ASP HB3 3.820 . 5.000 3.524 3.381 3.607 . 0 0 "[ . 1 . 2]" 1
282 1 24 ASP HA 1 51 PHE HE2 4.330 . 5.000 5.074 5.034 5.126 0.126 3 0 "[ . 1 . 2]" 1
283 1 24 ASP HA 1 27 SER HB2 2.620 . 2.700 2.359 2.029 2.722 0.022 11 0 "[ . 1 . 2]" 1
284 1 24 ASP HB2 1 51 PHE HD2 3.740 . 5.000 2.667 2.381 2.928 . 0 0 "[ . 1 . 2]" 1
285 1 24 ASP HB2 1 51 PHE HE2 3.740 . 5.000 4.339 4.062 4.612 . 0 0 "[ . 1 . 2]" 1
286 1 24 ASP HA 1 25 GLY H 4.200 . 5.000 3.521 3.477 3.550 . 0 0 "[ . 1 . 2]" 1
287 1 24 ASP HB3 1 51 PHE HE2 3.680 . 5.000 3.128 2.932 3.427 . 0 0 "[ . 1 . 2]" 1
288 1 24 ASP H 1 24 ASP HB2 3.710 . 5.000 2.259 2.129 2.410 . 0 0 "[ . 1 . 2]" 1
289 1 24 ASP HA 1 51 PHE HD2 4.330 . 5.000 4.245 4.146 4.323 . 0 0 "[ . 1 . 2]" 1
290 1 24 ASP HB2 1 47 CYS HB3 2.740 . 3.500 3.323 3.191 3.434 . 0 0 "[ . 1 . 2]" 1
291 1 24 ASP HB3 1 25 GLY H 4.190 . 5.000 3.268 2.836 3.636 . 0 0 "[ . 1 . 2]" 1
292 1 24 ASP HA 1 27 SER H 3.230 . 3.500 3.525 3.451 3.569 0.069 17 0 "[ . 1 . 2]" 1
293 1 24 ASP H 1 25 GLY H 3.740 . 5.000 2.718 2.445 2.933 . 0 0 "[ . 1 . 2]" 1
294 1 25 GLY H 1 51 PHE HA 4.060 . 5.000 4.239 4.057 4.430 . 0 0 "[ . 1 . 2]" 1
295 1 25 GLY H 1 26 ALA H 3.910 . 5.000 2.878 2.733 3.088 . 0 0 "[ . 1 . 2]" 1
296 1 25 GLY HA3 1 26 ALA H 4.420 . 5.000 2.607 2.531 2.686 . 0 0 "[ . 1 . 2]" 1
297 1 25 GLY HA2 1 26 ALA H 3.880 . 5.000 3.595 3.589 3.600 . 0 0 "[ . 1 . 2]" 1
298 1 25 GLY H 1 51 PHE HD2 4.070 . 5.000 2.016 1.842 2.269 0.058 20 0 "[ . 1 . 2]" 1
299 1 25 GLY HA2 1 51 PHE HZ 4.590 . 5.000 4.084 3.912 4.282 . 0 0 "[ . 1 . 2]" 1
300 1 25 GLY HA2 1 51 PHE HE2 4.100 . 5.000 2.582 2.374 2.806 . 0 0 "[ . 1 . 2]" 1
301 1 25 GLY HA3 1 51 PHE HD2 4.230 . 5.000 2.799 2.660 2.911 . 0 0 "[ . 1 . 2]" 1
302 1 25 GLY HA2 1 51 PHE HE1 4.180 . 5.000 5.160 5.071 5.261 0.261 8 0 "[ . 1 . 2]" 1
303 1 26 ALA HA 1 55 CYS HB2 3.810 . 5.000 4.589 4.230 4.955 . 0 0 "[ . 1 . 2]" 1
304 1 26 ALA H 1 26 ALA MB 3.010 . 4.500 2.209 2.080 2.320 . 0 0 "[ . 1 . 2]" 1
305 1 26 ALA H 1 55 CYS HA 3.110 . 3.500 3.557 3.517 3.594 0.094 17 0 "[ . 1 . 2]" 1
306 1 26 ALA H 1 27 SER H 3.670 . 5.000 2.674 2.541 2.735 . 0 0 "[ . 1 . 2]" 1
307 1 26 ALA HA 1 27 SER H 3.030 . 3.500 3.291 3.145 3.427 . 0 0 "[ . 1 . 2]" 1
308 1 26 ALA H 1 58 ALA MB 4.480 . 6.000 4.144 3.868 4.575 . 0 0 "[ . 1 . 2]" 1
309 1 26 ALA MB 1 27 SER H 3.890 . 6.000 3.355 3.173 3.489 . 0 0 "[ . 1 . 2]" 1
310 1 27 SER HA 1 27 SER HB2 2.620 . 2.700 2.967 2.911 2.988 0.288 11 0 "[ . 1 . 2]" 1
311 1 27 SER HA 1 27 SER HB3 2.620 . 2.700 2.558 2.413 2.724 0.024 6 0 "[ . 1 . 2]" 1
312 1 27 SER HB3 1 28 VAL MG2 4.080 . 6.000 4.118 3.222 4.978 . 0 0 "[ . 1 . 2]" 1
313 1 27 SER H 1 27 SER HB3 3.030 . 3.500 3.602 3.475 3.682 0.182 11 0 "[ . 1 . 2]" 1
314 1 27 SER H 1 27 SER HB2 3.030 . 3.500 2.363 2.279 2.535 . 0 0 "[ . 1 . 2]" 1
315 1 27 SER H 1 28 VAL H 4.280 . 5.000 2.390 2.301 2.468 . 0 0 "[ . 1 . 2]" 1
316 1 27 SER HB2 1 28 VAL H 3.460 . 3.500 2.415 2.188 2.647 . 0 0 "[ . 1 . 2]" 1
317 1 27 SER HB3 1 28 VAL H 3.460 . 3.500 3.135 2.744 3.506 0.006 11 0 "[ . 1 . 2]" 1
318 1 27 SER HA 1 28 VAL H 2.960 . 3.500 3.562 3.549 3.575 0.075 3 0 "[ . 1 . 2]" 1
319 1 28 VAL MG2 1 29 ASN H 3.930 . 6.000 3.540 1.797 3.954 0.103 1 0 "[ . 1 . 2]" 1
320 1 28 VAL HB 1 29 ASN H 3.510 . 5.000 2.969 2.396 3.974 . 0 0 "[ . 1 . 2]" 1
321 1 28 VAL H 1 28 VAL HB 3.490 . 3.500 3.034 2.152 3.596 0.096 16 0 "[ . 1 . 2]" 1
322 1 28 VAL H 1 28 VAL MG2 3.240 . 4.500 2.126 1.766 3.708 0.134 2 0 "[ . 1 . 2]" 1
323 1 28 VAL HB 1 28 VAL MG1 3.370 . 4.500 2.132 2.107 2.148 . 0 0 "[ . 1 . 2]" 1
324 1 28 VAL HA 1 28 VAL MG1 3.050 . 4.500 2.295 1.998 3.151 . 0 0 "[ . 1 . 2]" 1
325 1 28 VAL HA 1 29 ASN H 2.800 . 3.500 2.533 2.345 2.687 . 0 0 "[ . 1 . 2]" 1
326 1 28 VAL H 1 28 VAL MG1 3.750 . 6.000 3.078 1.845 3.768 0.055 17 0 "[ . 1 . 2]" 1
327 1 28 VAL MG1 1 29 ASN H 3.700 . 6.000 2.502 1.785 3.891 0.115 14 0 "[ . 1 . 2]" 1
328 1 28 VAL HB 1 28 VAL MG2 3.320 . 4.500 2.128 2.115 2.152 . 0 0 "[ . 1 . 2]" 1
329 1 28 VAL MG2 1 32 GLU HG2 3.170 . 4.500 3.124 1.861 3.640 0.039 6 0 "[ . 1 . 2]" 1
330 1 28 VAL HA 1 28 VAL MG2 3.290 . 4.500 2.708 2.136 3.184 . 0 0 "[ . 1 . 2]" 1
331 1 29 ASN HA 1 30 ASN H 3.100 . 3.500 2.434 2.345 2.475 . 0 0 "[ . 1 . 2]" 1
332 1 29 ASN H 1 29 ASN HB3 4.120 . 5.000 3.327 3.274 3.403 . 0 0 "[ . 1 . 2]" 1
333 1 29 ASN HB2 1 32 GLU HA 3.200 . 3.500 3.616 3.557 3.711 0.211 14 0 "[ . 1 . 2]" 1
334 1 29 ASN HB3 1 32 GLU HA 3.360 . 3.500 3.536 3.507 3.568 0.068 20 0 "[ . 1 . 2]" 1
335 1 29 ASN HB3 1 32 GLU H 4.210 . 5.000 2.087 1.890 2.340 0.010 14 0 "[ . 1 . 2]" 1
336 1 29 ASN HB3 1 30 ASN H 3.740 . 5.000 2.912 2.804 3.072 . 0 0 "[ . 1 . 2]" 1
337 1 29 ASN H 1 30 ASN H 4.380 . 5.000 4.697 4.688 4.705 . 0 0 "[ . 1 . 2]" 1
338 1 30 ASN H 1 30 ASN HB2 4.080 . 5.000 2.507 2.139 3.632 . 0 0 "[ . 1 . 2]" 1
339 1 30 ASN HB2 1 31 ASP H 4.190 . 5.000 3.419 2.931 4.090 . 0 0 "[ . 1 . 2]" 1
340 1 30 ASN H 1 31 ASP H 3.860 . 5.000 2.868 2.754 2.922 . 0 0 "[ . 1 . 2]" 1
341 1 30 ASN HA 1 31 ASP H 3.490 . 3.500 3.498 3.451 3.510 0.010 17 0 "[ . 1 . 2]" 1
342 1 30 ASN H 1 30 ASN HB3 3.740 . 5.000 3.279 2.514 3.635 . 0 0 "[ . 1 . 2]" 1
343 1 31 ASP HA 1 34 CYS H 3.260 . 3.500 3.505 3.298 3.560 0.060 16 0 "[ . 1 . 2]" 1
344 1 31 ASP H 1 31 ASP HB2 3.550 . 5.000 3.449 2.632 3.998 . 0 0 "[ . 1 . 2]" 1
345 1 31 ASP H 1 32 GLU H 3.320 . 3.500 1.925 1.876 2.066 0.024 15 0 "[ . 1 . 2]" 1
346 1 31 ASP HA 1 32 GLU H 3.600 . 5.000 3.141 3.002 3.243 . 0 0 "[ . 1 . 2]" 1
347 1 31 ASP HB2 1 32 GLU H 4.210 . 5.000 4.219 3.833 4.521 . 0 0 "[ . 1 . 2]" 1
348 1 32 GLU HA 1 33 THR H 3.830 . 5.000 3.557 3.530 3.583 . 0 0 "[ . 1 . 2]" 1
349 1 32 GLU H 1 32 GLU HB3 3.860 . 5.000 2.359 2.240 3.311 . 0 0 "[ . 1 . 2]" 1
350 1 32 GLU H 1 32 GLU HG2 4.250 . 5.000 4.259 3.558 4.388 . 0 0 "[ . 1 . 2]" 1
351 1 33 THR H 1 34 CYS HB3 3.860 . 5.000 4.704 3.984 5.038 0.038 7 0 "[ . 1 . 2]" 1
352 1 33 THR HB 1 37 ARG H 4.480 . 5.000 5.011 4.464 5.117 0.117 13 0 "[ . 1 . 2]" 1
353 1 33 THR HB 1 33 THR MG 2.890 . 4.500 2.127 2.098 2.143 . 0 0 "[ . 1 . 2]" 1
354 1 33 THR H 1 33 THR HB 3.080 . 3.500 2.819 2.522 3.610 0.110 3 0 "[ . 1 . 2]" 1
355 1 33 THR HB 1 34 CYS H 4.220 . 5.000 2.817 2.465 4.039 . 0 0 "[ . 1 . 2]" 1
356 1 33 THR H 1 33 THR HA 2.790 . 3.500 2.941 2.870 2.995 . 0 0 "[ . 1 . 2]" 1
357 1 33 THR MG 1 34 CYS H 3.110 . 4.500 3.661 1.928 3.815 . 0 0 "[ . 1 . 2]" 1
358 1 33 THR HA 1 35 GLU HB3 4.170 . 5.000 4.940 4.789 5.027 0.027 12 0 "[ . 1 . 2]" 1
359 1 33 THR HA 1 36 GLN HB3 4.170 . 5.000 3.739 2.076 4.494 . 0 0 "[ . 1 . 2]" 1
360 1 33 THR HA 1 36 GLN HG3 4.630 . 5.000 4.414 2.014 5.039 0.039 16 0 "[ . 1 . 2]" 1
361 1 33 THR HA 1 34 CYS H 3.630 . 5.000 3.537 3.495 3.572 . 0 0 "[ . 1 . 2]" 1
362 1 33 THR H 1 33 THR MG 3.660 . 6.000 3.573 2.079 3.939 . 0 0 "[ . 1 . 2]" 1
363 1 33 THR HA 1 36 GLN H 2.790 . 3.500 3.439 3.159 3.581 0.081 14 0 "[ . 1 . 2]" 1
364 1 33 THR HA 1 33 THR HB 2.780 . 3.500 2.936 2.460 3.039 . 0 0 "[ . 1 . 2]" 1
365 1 33 THR HA 1 33 THR MG 2.880 . 4.500 2.271 2.131 3.194 . 0 0 "[ . 1 . 2]" 1
366 1 34 CYS HA 1 51 PHE HE2 4.120 . 5.000 2.993 2.633 3.343 . 0 0 "[ . 1 . 2]" 1
367 1 34 CYS HA 1 37 ARG HB3 4.630 . 5.000 4.699 4.223 5.087 0.087 18 0 "[ . 1 . 2]" 1
368 1 34 CYS HA 1 35 GLU H 3.980 . 5.000 3.526 3.512 3.539 . 0 0 "[ . 1 . 2]" 1
369 1 34 CYS H 1 37 ARG H 4.330 . 5.000 4.947 4.841 5.015 0.015 6 0 "[ . 1 . 2]" 1
370 1 34 CYS HA 1 55 CYS HB3 3.170 . 3.500 3.712 3.666 3.774 0.274 17 0 "[ . 1 . 2]" 1
371 1 34 CYS HA 1 51 PHE HE1 4.080 . 5.000 3.492 3.090 3.911 . 0 0 "[ . 1 . 2]" 1
372 1 34 CYS HA 1 51 PHE HZ 4.650 . 5.000 2.241 2.059 2.589 . 0 0 "[ . 1 . 2]" 1
373 1 35 GLU H 1 38 ALA H 3.580 . 5.000 4.121 3.945 4.336 . 0 0 "[ . 1 . 2]" 1
374 1 35 GLU HA 1 39 ALA H 4.330 . 5.000 3.215 2.250 4.303 . 0 0 "[ . 1 . 2]" 1
375 1 35 GLU H 1 51 PHE HE2 4.430 . 5.000 5.196 5.154 5.286 0.286 6 0 "[ . 1 . 2]" 1
376 1 35 GLU H 1 37 ARG H 3.670 . 5.000 3.668 3.497 4.350 . 0 0 "[ . 1 . 2]" 1
377 1 35 GLU H 1 35 GLU HB3 3.330 . 3.500 2.680 2.422 3.019 . 0 0 "[ . 1 . 2]" 1
378 1 35 GLU H 1 51 PHE HZ 4.350 . 5.000 4.009 3.872 4.201 . 0 0 "[ . 1 . 2]" 1
379 1 36 GLN H 1 36 GLN HG2 4.710 . 5.000 3.462 2.113 4.716 . 0 0 "[ . 1 . 2]" 1
380 1 36 GLN H 1 36 GLN HB3 3.690 . 5.000 3.427 2.765 3.647 . 0 0 "[ . 1 . 2]" 1
381 1 36 GLN H 1 36 GLN HG3 4.420 . 5.000 3.210 2.331 4.521 . 0 0 "[ . 1 . 2]" 1
382 1 36 GLN H 1 36 GLN HB2 3.820 . 5.000 2.437 2.120 3.610 . 0 0 "[ . 1 . 2]" 1
383 1 36 GLN HB2 1 37 ARG H 3.680 . 5.000 3.189 2.379 3.983 . 0 0 "[ . 1 . 2]" 1
384 1 36 GLN HA 1 38 ALA H 4.000 . 5.000 5.019 4.799 5.081 0.081 12 0 "[ . 1 . 2]" 1
385 1 36 GLN H 1 37 ARG H 3.630 . 5.000 2.921 2.831 3.198 . 0 0 "[ . 1 . 2]" 1
386 1 37 ARG H 1 37 ARG HB3 3.770 . 5.000 3.439 3.323 3.628 . 0 0 "[ . 1 . 2]" 1
387 1 37 ARG H 1 37 ARG HB2 3.570 . 5.000 2.239 2.059 2.369 . 0 0 "[ . 1 . 2]" 1
388 1 37 ARG HG3 1 51 PHE HE2 3.840 . 5.000 4.876 4.009 5.109 0.109 12 0 "[ . 1 . 2]" 1
389 1 37 ARG HG3 1 51 PHE HZ 3.690 . 5.000 4.226 3.719 4.564 . 0 0 "[ . 1 . 2]" 1
390 1 37 ARG HB3 1 51 PHE HE1 3.990 . 5.000 2.516 2.250 2.965 . 0 0 "[ . 1 . 2]" 1
391 1 37 ARG HB3 1 51 PHE HE2 3.990 . 5.000 4.080 3.638 4.848 . 0 0 "[ . 1 . 2]" 1
392 1 37 ARG HA 1 41 ILE HG12 4.110 . 5.000 3.801 2.374 4.389 . 0 0 "[ . 1 . 2]" 1
393 1 37 ARG HA 1 39 ALA H 4.180 . 5.000 4.361 3.568 5.113 0.113 9 0 "[ . 1 . 2]" 1
394 1 37 ARG H 1 37 ARG HG3 3.890 . 5.000 4.156 2.705 4.615 . 0 0 "[ . 1 . 2]" 1
395 1 37 ARG HB3 1 48 ILE H 3.730 . 5.000 4.246 3.849 4.684 . 0 0 "[ . 1 . 2]" 1
396 1 37 ARG HB3 1 51 PHE HZ 3.780 . 5.000 2.598 2.194 3.203 . 0 0 "[ . 1 . 2]" 1
397 1 38 ALA HA 1 51 PHE HZ 4.950 . 5.000 4.699 4.192 5.037 0.037 2 0 "[ . 1 . 2]" 1
398 1 38 ALA H 1 39 ALA H 3.530 . 5.000 2.730 2.500 2.977 . 0 0 "[ . 1 . 2]" 1
399 1 38 ALA H 1 51 PHE HZ 3.530 . 5.000 2.631 2.187 3.017 . 0 0 "[ . 1 . 2]" 1
400 1 38 ALA MB 1 51 PHE HD1 3.160 . 5.500 3.923 3.476 4.339 . 0 0 "[ . 1 . 2]" 1
401 1 38 ALA HA 1 41 ILE HG13 4.400 . 5.000 3.967 3.339 4.791 . 0 0 "[ . 1 . 2]" 1
402 1 38 ALA MB 1 51 PHE HE1 3.220 . 4.500 2.293 1.839 2.761 0.061 1 0 "[ . 1 . 2]" 1
403 1 38 ALA HA 1 41 ILE MD 3.350 . 4.500 2.547 1.838 3.569 0.062 12 0 "[ . 1 . 2]" 1
404 1 38 ALA MB 1 51 PHE HZ 4.550 . 6.000 3.416 2.986 3.710 . 0 0 "[ . 1 . 2]" 1
405 1 38 ALA HA 1 41 ILE HG12 3.990 . 5.000 4.352 3.153 4.975 . 0 0 "[ . 1 . 2]" 1
406 1 38 ALA MB 1 41 ILE MD 3.750 . 7.000 3.818 3.239 4.597 . 0 0 "[ . 1 . 2]" 1
407 1 38 ALA H 1 38 ALA MB 2.950 . 4.500 2.279 2.235 2.316 . 0 0 "[ . 1 . 2]" 1
408 1 38 ALA H 1 41 ILE HG13 4.630 . 5.000 4.833 4.625 5.066 0.066 14 0 "[ . 1 . 2]" 1
409 1 38 ALA HA 1 38 ALA MB 3.250 . 4.500 2.140 2.120 2.150 . 0 0 "[ . 1 . 2]" 1
410 1 38 ALA H 1 48 ILE MG 4.630 . 6.000 4.116 3.577 4.624 . 0 0 "[ . 1 . 2]" 1
411 1 38 ALA HA 1 39 ALA H 4.010 . 5.000 3.395 3.016 3.594 . 0 0 "[ . 1 . 2]" 1
412 1 38 ALA HA 1 51 PHE HE1 3.800 . 5.000 2.856 2.310 3.251 . 0 0 "[ . 1 . 2]" 1
413 1 38 ALA H 1 51 PHE HE1 4.120 . 5.000 2.698 2.368 2.968 . 0 0 "[ . 1 . 2]" 1
414 1 39 ALA HA 1 40 ARG H 4.470 . 5.000 3.564 3.527 3.598 . 0 0 "[ . 1 . 2]" 1
415 1 39 ALA HA 1 39 ALA MB 2.890 . 4.500 2.135 2.109 2.150 . 0 0 "[ . 1 . 2]" 1
416 1 39 ALA MB 1 40 ARG H 3.830 . 6.000 2.166 1.835 2.776 0.065 20 0 "[ . 1 . 2]" 1
417 1 39 ALA H 1 39 ALA MB 2.870 . 4.500 2.365 2.055 2.673 . 0 0 "[ . 1 . 2]" 1
418 1 39 ALA H 1 40 ARG H 3.600 . 5.000 2.662 1.862 3.297 0.038 19 0 "[ . 1 . 2]" 1
419 1 40 ARG H 1 40 ARG HB3 4.090 . 5.000 3.288 2.561 3.703 . 0 0 "[ . 1 . 2]" 1
420 1 40 ARG H 1 40 ARG HB2 3.480 . 3.500 2.425 2.112 3.624 0.124 1 0 "[ . 1 . 2]" 1
421 1 40 ARG HA 1 41 ILE H 4.350 . 5.000 2.305 2.187 2.722 . 0 0 "[ . 1 . 2]" 1
422 1 40 ARG HA 1 40 ARG HG3 3.560 . 5.000 2.850 2.004 3.887 . 0 0 "[ . 1 . 2]" 1
423 1 40 ARG H 1 40 ARG HG3 4.100 . 5.000 3.745 2.439 4.642 . 0 0 "[ . 1 . 2]" 1
424 1 40 ARG H 1 41 ILE H 3.530 . 5.000 4.128 3.422 4.516 . 0 0 "[ . 1 . 2]" 1
425 1 41 ILE HA 1 42 SER H 3.310 . 3.500 2.359 2.229 2.641 . 0 0 "[ . 1 . 2]" 1
426 1 41 ILE H 1 41 ILE MD 3.510 . 6.000 3.629 1.769 4.395 0.131 19 0 "[ . 1 . 2]" 1
427 1 41 ILE MD 1 51 PHE HE1 3.640 . 6.000 4.504 4.057 4.912 . 0 0 "[ . 1 . 2]" 1
428 1 41 ILE MG 1 44 GLY H 3.880 . 6.000 1.928 1.706 2.322 0.194 15 0 "[ . 1 . 2]" 1
429 1 41 ILE HG12 1 45 PRO HD2 3.120 . 3.500 3.510 3.269 3.578 0.078 19 0 "[ . 1 . 2]" 1
430 1 41 ILE MD 1 48 ILE MD 4.290 . 7.000 2.746 1.633 4.290 0.267 12 0 "[ . 1 . 2]" 1
431 1 41 ILE H 1 41 ILE MG 3.730 . 6.000 3.791 3.683 3.876 . 0 0 "[ . 1 . 2]" 1
432 1 41 ILE MD 1 41 ILE HG12 3.610 . 6.000 2.138 2.108 2.154 . 0 0 "[ . 1 . 2]" 1
433 1 41 ILE MD 1 48 ILE HG12 4.870 . 6.000 2.954 2.193 3.664 . 0 0 "[ . 1 . 2]" 1
434 1 41 ILE HB 1 41 ILE MD 3.730 . 6.000 2.155 1.892 2.369 0.008 1 0 "[ . 1 . 2]" 1
435 1 41 ILE H 1 41 ILE HG13 3.560 . 5.000 3.189 2.362 3.681 . 0 0 "[ . 1 . 2]" 1
436 1 41 ILE HA 1 41 ILE HG13 3.110 . 3.500 2.590 2.371 2.917 . 0 0 "[ . 1 . 2]" 1
437 1 41 ILE HG13 1 48 ILE HB 3.100 . 3.500 3.337 2.948 3.538 0.038 15 0 "[ . 1 . 2]" 1
438 1 41 ILE H 1 41 ILE HB 3.460 . 3.500 2.621 2.451 2.785 . 0 0 "[ . 1 . 2]" 1
439 1 41 ILE HA 1 41 ILE HG12 3.750 . 5.000 2.757 2.351 3.673 . 0 0 "[ . 1 . 2]" 1
440 1 41 ILE HA 1 44 GLY H 3.620 . 5.000 3.665 3.019 4.673 . 0 0 "[ . 1 . 2]" 1
441 1 41 ILE H 1 41 ILE HG12 3.750 . 5.000 4.338 3.766 4.680 . 0 0 "[ . 1 . 2]" 1
442 1 41 ILE HA 1 48 ILE MG 3.110 . 4.500 3.523 3.405 3.701 . 0 0 "[ . 1 . 2]" 1
443 1 41 ILE MG 1 43 LEU H 3.220 . 4.500 2.814 1.839 3.531 0.061 19 0 "[ . 1 . 2]" 1
444 1 41 ILE MG 1 44 GLY HA3 3.110 . 4.500 2.336 1.848 3.239 0.052 8 0 "[ . 1 . 2]" 1
445 1 41 ILE MD 1 41 ILE HG13 2.960 . 4.500 2.135 2.107 2.149 . 0 0 "[ . 1 . 2]" 1
446 1 41 ILE MD 1 41 ILE MG 2.960 . 5.500 2.267 1.667 3.183 0.233 13 0 "[ . 1 . 2]" 1
447 1 41 ILE HA 1 41 ILE MG 3.110 . 4.500 2.448 2.280 2.596 . 0 0 "[ . 1 . 2]" 1
448 1 41 ILE HB 1 41 ILE MG 3.320 . 4.500 2.130 2.105 2.149 . 0 0 "[ . 1 . 2]" 1
449 1 41 ILE MG 1 42 SER H 3.890 . 6.000 3.121 1.827 3.799 0.073 15 0 "[ . 1 . 2]" 1
450 1 41 ILE HA 1 43 LEU H 4.590 . 5.000 3.994 3.008 4.708 . 0 0 "[ . 1 . 2]" 1
451 1 41 ILE MD 1 48 ILE MG 3.390 . 5.500 3.049 2.395 3.498 . 0 0 "[ . 1 . 2]" 1
452 1 41 ILE MD 1 48 ILE HA 3.790 . 6.000 4.120 3.774 4.761 . 0 0 "[ . 1 . 2]" 1
453 1 41 ILE HB 1 48 ILE MD 4.060 . 6.000 4.457 3.569 5.025 . 0 0 "[ . 1 . 2]" 1
454 1 41 ILE HA 1 41 ILE MD 3.780 . 6.000 3.759 3.382 3.820 . 0 0 "[ . 1 . 2]" 1
455 1 42 SER HA 1 43 LEU H 3.870 . 5.000 3.520 2.978 3.588 . 0 0 "[ . 1 . 2]" 1
456 1 42 SER H 1 43 LEU H 4.170 . 5.000 2.786 2.138 3.167 . 0 0 "[ . 1 . 2]" 1
457 1 43 LEU HA 1 44 GLY H 3.770 . 5.000 3.339 2.814 3.560 . 0 0 "[ . 1 . 2]" 1
458 1 43 LEU H 1 44 GLY H 4.130 . 5.000 1.941 1.848 2.477 0.052 15 0 "[ . 1 . 2]" 1
459 1 43 LEU HB3 1 44 GLY H 4.460 . 5.000 4.017 2.550 4.688 . 0 0 "[ . 1 . 2]" 1
460 1 43 LEU H 1 43 LEU HB3 3.980 . 5.000 3.240 2.651 3.709 . 0 0 "[ . 1 . 2]" 1
461 1 43 LEU MD2 1 43 LEU HG 3.640 . 6.000 2.133 2.111 2.155 . 0 0 "[ . 1 . 2]" 1
462 1 43 LEU MD1 1 45 PRO HG3 3.460 . 4.500 3.296 2.613 3.647 . 0 0 "[ . 1 . 2]" 1
463 1 43 LEU MD1 1 45 PRO HB3 3.460 . 4.500 3.442 2.847 3.785 . 0 0 "[ . 1 . 2]" 1
464 1 43 LEU H 1 43 LEU HG 3.570 . 5.000 2.912 1.885 5.087 0.087 8 0 "[ . 1 . 2]" 1
465 1 43 LEU MD1 1 43 LEU HG 2.870 . 4.500 2.126 2.104 2.151 . 0 0 "[ . 1 . 2]" 1
466 1 43 LEU HA 1 43 LEU MD1 3.090 . 4.500 3.466 3.263 3.788 . 0 0 "[ . 1 . 2]" 1
467 1 43 LEU H 1 43 LEU MD1 4.130 . 6.000 2.700 1.685 4.888 0.215 4 0 "[ . 1 . 2]" 1
468 1 43 LEU MD1 1 45 PRO HD3 3.720 . 6.000 2.218 1.788 4.105 0.112 9 0 "[ . 1 . 2]" 1
469 1 43 LEU H 1 43 LEU MD2 3.790 . 6.000 3.737 3.114 4.167 . 0 0 "[ . 1 . 2]" 1
470 1 43 LEU HB3 1 43 LEU MD1 4.810 . 6.000 2.854 2.098 3.194 . 0 0 "[ . 1 . 2]" 1
471 1 44 GLY HA3 1 48 ILE HG13 3.290 . 3.500 3.573 3.503 3.715 0.215 3 0 "[ . 1 . 2]" 1
472 1 44 GLY HA2 1 45 PRO HD3 3.760 . 5.000 2.815 2.561 3.047 . 0 0 "[ . 1 . 2]" 1
473 1 44 GLY HA2 1 45 PRO HD2 3.750 . 5.000 2.042 1.891 2.416 0.009 5 0 "[ . 1 . 2]" 1
474 1 44 GLY HA3 1 45 PRO HD3 4.010 . 5.000 4.011 3.810 4.086 . 0 0 "[ . 1 . 2]" 1
475 1 45 PRO HD2 1 48 ILE HG13 4.480 . 5.000 3.387 2.649 4.127 . 0 0 "[ . 1 . 2]" 1
476 1 45 PRO HB3 1 45 PRO HD3 3.720 . 5.000 3.601 3.479 3.769 . 0 0 "[ . 1 . 2]" 1
477 1 45 PRO HA 1 45 PRO HD3 4.320 . 5.000 3.537 3.411 3.722 . 0 0 "[ . 1 . 2]" 1
478 1 45 PRO HB3 1 46 ARG H 4.030 . 5.000 3.562 3.421 3.720 . 0 0 "[ . 1 . 2]" 1
479 1 45 PRO HA 1 45 PRO HD2 3.810 . 5.000 4.102 4.081 4.131 . 0 0 "[ . 1 . 2]" 1
480 1 46 ARG H 1 46 ARG HB3 3.640 . 5.000 3.473 3.146 4.009 . 0 0 "[ . 1 . 2]" 1
481 1 46 ARG H 1 47 CYS H 3.800 . 5.000 2.164 1.891 2.439 0.009 8 0 "[ . 1 . 2]" 1
482 1 46 ARG HA 1 47 CYS H 4.200 . 5.000 3.577 3.536 3.599 . 0 0 "[ . 1 . 2]" 1
483 1 46 ARG HA 1 49 LYS H 3.960 . 5.000 3.635 3.408 3.980 . 0 0 "[ . 1 . 2]" 1
484 1 46 ARG HB3 1 47 CYS H 3.810 . 5.000 2.650 2.306 3.673 . 0 0 "[ . 1 . 2]" 1
485 1 47 CYS HB3 1 51 PHE HE2 3.760 . 5.000 5.149 5.095 5.190 0.190 16 0 "[ . 1 . 2]" 1
486 1 47 CYS HA 1 51 PHE H 4.680 . 5.000 2.805 2.690 2.983 . 0 0 "[ . 1 . 2]" 1
487 1 47 CYS HA 1 48 ILE H 3.080 . 3.500 3.498 3.456 3.521 0.021 11 0 "[ . 1 . 2]" 1
488 1 47 CYS HA 1 50 ALA MB 3.000 . 4.500 2.582 2.403 2.822 . 0 0 "[ . 1 . 2]" 1
489 1 47 CYS H 1 47 CYS HB2 3.590 . 5.000 2.797 2.707 2.890 . 0 0 "[ . 1 . 2]" 1
490 1 47 CYS HA 1 51 PHE HB2 3.600 . 5.000 4.473 4.320 4.738 . 0 0 "[ . 1 . 2]" 1
491 1 47 CYS H 1 48 ILE H 3.610 . 5.000 2.700 2.644 2.752 . 0 0 "[ . 1 . 2]" 1
492 1 47 CYS HB3 1 48 ILE H 4.090 . 5.000 4.100 3.994 4.260 . 0 0 "[ . 1 . 2]" 1
493 1 47 CYS H 1 47 CYS HB3 3.520 . 5.000 3.660 3.632 3.678 . 0 0 "[ . 1 . 2]" 1
494 1 48 ILE HA 1 51 PHE HD1 4.760 . 5.000 2.307 2.210 2.491 . 0 0 "[ . 1 . 2]" 1
495 1 48 ILE MG 1 49 LYS H 3.530 . 6.000 3.720 3.450 3.896 . 0 0 "[ . 1 . 2]" 1
496 1 48 ILE HA 1 48 ILE HG12 4.460 . 5.000 3.876 3.542 4.269 . 0 0 "[ . 1 . 2]" 1
497 1 48 ILE H 1 48 ILE HG12 3.590 . 5.000 3.330 2.625 3.689 . 0 0 "[ . 1 . 2]" 1
498 1 48 ILE HA 1 51 PHE HE1 4.550 . 5.000 2.441 2.260 2.716 . 0 0 "[ . 1 . 2]" 1
499 1 48 ILE MG 1 51 PHE HD1 3.560 . 6.000 4.343 4.146 4.469 . 0 0 "[ . 1 . 2]" 1
500 1 48 ILE MG 1 51 PHE HZ 3.730 . 6.000 4.313 3.810 4.707 . 0 0 "[ . 1 . 2]" 1
501 1 48 ILE H 1 49 LYS H 3.820 . 5.000 2.854 2.701 3.012 . 0 0 "[ . 1 . 2]" 1
502 1 48 ILE H 1 48 ILE MD 3.910 . 6.000 2.604 1.725 3.710 0.175 19 0 "[ . 1 . 2]" 1
503 1 48 ILE MG 1 51 PHE HE1 4.770 . 6.000 3.664 3.122 4.015 . 0 0 "[ . 1 . 2]" 1
504 1 48 ILE H 1 48 ILE MG 3.580 . 6.000 2.049 1.812 2.594 0.088 2 0 "[ . 1 . 2]" 1
505 1 48 ILE MD 1 48 ILE HG12 3.360 . 4.500 2.135 2.100 2.154 . 0 0 "[ . 1 . 2]" 1
506 1 48 ILE HA 1 48 ILE MG 3.740 . 6.000 2.418 2.165 2.578 . 0 0 "[ . 1 . 2]" 1
507 1 48 ILE MD 1 48 ILE MG 2.870 . 5.500 2.304 1.551 3.183 0.349 18 0 "[ . 1 . 2]" 1
508 1 48 ILE HA 1 51 PHE HB2 4.160 . 5.000 5.280 5.210 5.374 0.374 3 0 "[ . 1 . 2]" 1
509 1 48 ILE MD 1 49 LYS HG3 3.360 . 4.500 2.974 1.855 3.586 0.045 8 0 "[ . 1 . 2]" 1
510 1 48 ILE H 1 48 ILE HB 3.490 . 3.500 3.614 3.585 3.638 0.138 4 0 "[ . 1 . 2]" 1
511 1 48 ILE HA 1 52 THR H 4.690 . 5.000 3.995 3.918 4.134 . 0 0 "[ . 1 . 2]" 1
512 1 48 ILE HA 1 48 ILE MD 4.030 . 6.000 3.585 3.377 3.949 . 0 0 "[ . 1 . 2]" 1
513 1 48 ILE HA 1 51 PHE H 4.310 . 5.000 4.220 4.093 4.331 . 0 0 "[ . 1 . 2]" 1
514 1 48 ILE HB 1 48 ILE MD 3.530 . 6.000 2.684 2.033 3.198 . 0 0 "[ . 1 . 2]" 1
515 1 48 ILE HA 1 48 ILE HG13 4.220 . 5.000 3.956 3.526 4.275 . 0 0 "[ . 1 . 2]" 1
516 1 48 ILE MD 1 48 ILE HG13 3.540 . 6.000 2.129 2.109 2.141 . 0 0 "[ . 1 . 2]" 1
517 1 48 ILE HB 1 48 ILE MG 3.100 . 4.500 2.123 2.092 2.145 . 0 0 "[ . 1 . 2]" 1
518 1 48 ILE HB 1 49 LYS H 3.560 . 5.000 3.601 2.922 3.902 . 0 0 "[ . 1 . 2]" 1
519 1 49 LYS H 1 49 LYS HG2 3.560 . 5.000 3.767 2.381 4.564 . 0 0 "[ . 1 . 2]" 1
520 1 49 LYS HA 1 52 THR HB 3.570 . 5.000 2.316 2.096 2.588 . 0 0 "[ . 1 . 2]" 1
521 1 49 LYS HA 1 52 THR MG 4.290 . 6.000 3.509 3.286 3.857 . 0 0 "[ . 1 . 2]" 1
522 1 49 LYS H 1 49 LYS HB3 3.190 . 3.500 3.404 2.869 3.599 0.099 17 0 "[ . 1 . 2]" 1
523 1 49 LYS HB3 1 50 ALA H 3.860 . 5.000 2.647 2.061 3.270 . 0 0 "[ . 1 . 2]" 1
524 1 49 LYS H 1 49 LYS HG3 3.970 . 5.000 3.312 2.091 4.310 . 0 0 "[ . 1 . 2]" 1
525 1 49 LYS HA 1 52 THR H 4.240 . 5.000 3.509 3.400 3.618 . 0 0 "[ . 1 . 2]" 1
526 1 49 LYS H 1 50 ALA H 3.720 . 5.000 2.914 2.834 2.999 . 0 0 "[ . 1 . 2]" 1
527 1 49 LYS HA 1 50 ALA H 4.140 . 5.000 3.587 3.580 3.595 . 0 0 "[ . 1 . 2]" 1
528 1 50 ALA HA 1 50 ALA MB 3.000 . 4.500 2.151 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
529 1 50 ALA H 1 50 ALA MB 3.130 . 4.500 2.272 2.219 2.284 . 0 0 "[ . 1 . 2]" 1
530 1 50 ALA H 1 51 PHE H 3.860 . 5.000 2.934 2.860 3.020 . 0 0 "[ . 1 . 2]" 1
531 1 50 ALA HA 1 53 GLU H 4.620 . 5.000 4.061 3.978 4.287 . 0 0 "[ . 1 . 2]" 1
532 1 50 ALA MB 1 52 THR H 4.020 . 6.000 3.955 3.871 4.111 . 0 0 "[ . 1 . 2]" 1
533 1 50 ALA MB 1 51 PHE H 3.520 . 6.000 1.898 1.809 2.093 0.091 14 0 "[ . 1 . 2]" 1
534 1 51 PHE HA 1 51 PHE HD1 3.950 . 5.000 3.770 3.744 3.789 . 0 0 "[ . 1 . 2]" 1
535 1 51 PHE HB3 1 51 PHE HE2 4.000 . 5.000 5.083 5.030 5.112 0.112 16 0 "[ . 1 . 2]" 1
536 1 51 PHE H 1 52 THR HB 4.660 . 5.000 4.794 4.656 4.903 . 0 0 "[ . 1 . 2]" 1
537 1 51 PHE HA 1 51 PHE HD2 3.950 . 5.000 4.427 4.355 4.484 . 0 0 "[ . 1 . 2]" 1
538 1 51 PHE HE1 1 55 CYS HB3 3.740 . 5.000 4.761 4.604 4.951 . 0 0 "[ . 1 . 2]" 1
539 1 51 PHE HD1 1 52 THR HB 4.460 . 5.000 3.582 3.490 3.631 . 0 0 "[ . 1 . 2]" 1
540 1 51 PHE HD1 1 52 THR HA 3.580 . 5.000 2.872 2.697 2.939 . 0 0 "[ . 1 . 2]" 1
541 1 51 PHE HE1 1 52 THR HA 3.580 . 5.000 3.359 3.265 3.414 . 0 0 "[ . 1 . 2]" 1
542 1 51 PHE HD1 1 52 THR H 4.110 . 5.000 2.314 2.191 2.420 . 0 0 "[ . 1 . 2]" 1
543 1 51 PHE H 1 51 PHE HB3 3.830 . 5.000 2.074 2.050 2.129 . 0 0 "[ . 1 . 2]" 1
544 1 51 PHE H 1 51 PHE HB2 3.670 . 5.000 3.338 3.301 3.387 . 0 0 "[ . 1 . 2]" 1
545 1 51 PHE HB2 1 51 PHE HD1 3.430 . 3.500 3.701 3.692 3.708 0.208 18 0 "[ . 1 . 2]" 1
546 1 51 PHE HB2 1 51 PHE HD2 3.430 . 3.500 2.356 2.330 2.383 . 0 0 "[ . 1 . 2]" 1
547 1 51 PHE H 1 52 THR H 4.000 . 5.000 2.761 2.678 2.811 . 0 0 "[ . 1 . 2]" 1
548 1 51 PHE H 1 51 PHE HD1 4.320 . 5.000 3.139 3.006 3.264 . 0 0 "[ . 1 . 2]" 1
549 1 51 PHE HB2 1 52 THR H 4.300 . 5.000 4.540 4.514 4.558 . 0 0 "[ . 1 . 2]" 1
550 1 51 PHE HB3 1 52 THR H 4.150 . 5.000 3.983 3.936 4.043 . 0 0 "[ . 1 . 2]" 1
551 1 51 PHE HD1 1 55 CYS HB3 3.750 . 5.000 4.595 4.334 4.863 . 0 0 "[ . 1 . 2]" 1
552 1 51 PHE HB2 1 54 CYS HB3 3.210 . 3.500 3.719 3.685 3.764 0.264 13 0 "[ . 1 . 2]" 1
553 1 52 THR HB 1 52 THR MG 2.990 . 4.500 2.143 2.123 2.151 . 0 0 "[ . 1 . 2]" 1
554 1 52 THR HA 1 52 THR MG 3.230 . 4.500 2.647 2.574 2.719 . 0 0 "[ . 1 . 2]" 1
555 1 52 THR MG 1 56 VAL MG1 4.110 . 7.000 2.323 2.069 2.609 . 0 0 "[ . 1 . 2]" 1
556 1 52 THR MG 1 53 GLU H 4.100 . 6.000 2.767 2.340 3.106 . 0 0 "[ . 1 . 2]" 1
557 1 52 THR HA 1 55 CYS H 4.130 . 5.000 3.556 3.099 4.322 . 0 0 "[ . 1 . 2]" 1
558 1 52 THR HA 1 56 VAL MG1 3.230 . 4.500 3.198 2.905 3.593 . 0 0 "[ . 1 . 2]" 1
559 1 52 THR HB 1 53 GLU H 3.690 . 5.000 2.672 2.412 2.772 . 0 0 "[ . 1 . 2]" 1
560 1 52 THR MG 1 53 GLU HA 3.880 . 6.000 3.076 2.889 3.255 . 0 0 "[ . 1 . 2]" 1
561 1 52 THR H 1 52 THR HB 3.540 . 5.000 2.272 2.210 2.342 . 0 0 "[ . 1 . 2]" 1
562 1 52 THR H 1 52 THR MG 4.050 . 6.000 3.646 3.592 3.704 . 0 0 "[ . 1 . 2]" 1
563 1 52 THR HA 1 56 VAL H 3.720 . 5.000 3.580 3.392 3.756 . 0 0 "[ . 1 . 2]" 1
564 1 52 THR HA 1 55 CYS HB2 3.930 . 5.000 3.973 3.757 4.267 . 0 0 "[ . 1 . 2]" 1
565 1 52 THR HA 1 55 CYS HB3 3.720 . 5.000 2.954 2.574 3.314 . 0 0 "[ . 1 . 2]" 1
566 1 52 THR H 1 53 GLU H 4.090 . 5.000 2.455 2.288 2.689 . 0 0 "[ . 1 . 2]" 1
567 1 53 GLU HA 1 56 VAL H 4.240 . 5.000 3.747 3.534 4.044 . 0 0 "[ . 1 . 2]" 1
568 1 53 GLU HA 1 57 VAL H 3.110 . 3.500 3.616 3.576 3.711 0.211 20 0 "[ . 1 . 2]" 1
569 1 53 GLU HA 1 54 CYS H 3.800 . 5.000 3.494 3.462 3.517 . 0 0 "[ . 1 . 2]" 1
570 1 53 GLU HA 1 71 CYS H 4.260 . 5.000 4.812 3.838 5.055 0.055 2 0 "[ . 1 . 2]" 1
571 1 53 GLU H 1 54 CYS H 4.260 . 5.000 2.400 2.289 2.649 . 0 0 "[ . 1 . 2]" 1
572 1 53 GLU HA 1 70 MET HG2 3.810 . 5.000 4.631 3.260 5.040 0.040 15 0 "[ . 1 . 2]" 1
573 1 53 GLU HA 1 56 VAL MG2 3.640 . 6.000 1.846 1.716 3.706 0.184 11 0 "[ . 1 . 2]" 1
574 1 53 GLU HA 1 56 VAL MG1 4.080 . 6.000 3.183 1.845 3.576 0.055 17 0 "[ . 1 . 2]" 1
575 1 54 CYS HA 1 57 VAL MG1 4.320 . 6.000 1.843 1.733 2.062 0.167 14 0 "[ . 1 . 2]" 1
576 1 54 CYS HA 1 71 CYS HB3 3.750 . 5.000 3.033 2.877 3.173 . 0 0 "[ . 1 . 2]" 1
577 1 54 CYS HB2 2 1 CYS HA 3.730 . 5.000 3.949 3.648 4.196 . 0 0 "[ . 1 . 2]" 1
578 1 54 CYS H 1 55 CYS H 4.010 . 5.000 2.599 2.446 3.072 . 0 0 "[ . 1 . 2]" 1
579 1 54 CYS HB2 2 1 CYS HB2 2.740 . 3.500 3.805 3.677 3.863 0.363 5 0 "[ . 1 . 2]" 1
580 1 54 CYS H 1 54 CYS HB2 4.090 . 5.000 2.886 2.807 2.941 . 0 0 "[ . 1 . 2]" 1
581 1 54 CYS HB2 1 71 CYS HB3 2.740 . 3.500 3.580 3.538 3.634 0.134 1 0 "[ . 1 . 2]" 1
582 1 55 CYS H 1 55 CYS HB3 3.730 . 5.000 2.632 2.437 2.970 . 0 0 "[ . 1 . 2]" 1
583 1 55 CYS H 1 56 VAL H 4.200 . 5.000 2.622 2.380 3.174 . 0 0 "[ . 1 . 2]" 1
584 1 55 CYS HA 1 58 ALA H 3.800 . 5.000 3.490 3.260 3.670 . 0 0 "[ . 1 . 2]" 1
585 1 55 CYS HB3 1 56 VAL HA 3.720 . 5.000 4.249 4.048 4.515 . 0 0 "[ . 1 . 2]" 1
586 1 55 CYS HA 1 56 VAL H 4.240 . 5.000 3.565 3.519 3.610 . 0 0 "[ . 1 . 2]" 1
587 1 55 CYS HB3 1 56 VAL H 4.350 . 5.000 2.497 2.283 2.789 . 0 0 "[ . 1 . 2]" 1
588 1 55 CYS H 1 55 CYS HB2 3.670 . 5.000 2.642 2.288 2.941 . 0 0 "[ . 1 . 2]" 1
589 1 56 VAL HA 1 56 VAL MG2 2.970 . 4.500 3.173 2.704 3.202 . 0 0 "[ . 1 . 2]" 1
590 1 56 VAL MG2 1 70 MET HB3 3.180 . 4.500 3.289 2.488 3.616 . 0 0 "[ . 1 . 2]" 1
591 1 56 VAL HA 1 59 SER H 4.120 . 5.000 3.708 3.205 4.303 . 0 0 "[ . 1 . 2]" 1
592 1 56 VAL H 1 56 VAL MG2 3.350 . 4.500 2.103 1.853 3.710 0.047 19 0 "[ . 1 . 2]" 1
593 1 56 VAL H 1 56 VAL MG1 3.920 . 6.000 2.062 1.859 2.282 0.041 17 0 "[ . 1 . 2]" 1
594 1 56 VAL H 1 57 VAL H 4.510 . 5.000 2.856 2.586 3.144 . 0 0 "[ . 1 . 2]" 1
595 1 56 VAL H 1 56 VAL HB 3.760 . 5.000 3.602 2.943 3.666 . 0 0 "[ . 1 . 2]" 1
596 1 56 VAL HA 1 59 SER HB3 4.140 . 5.000 4.819 3.948 5.054 0.054 9 0 "[ . 1 . 2]" 1
597 1 56 VAL HB 1 56 VAL MG1 3.380 . 4.500 2.125 2.113 2.149 . 0 0 "[ . 1 . 2]" 1
598 1 56 VAL HA 1 56 VAL MG1 3.230 . 4.500 2.448 2.339 3.128 . 0 0 "[ . 1 . 2]" 1
599 1 56 VAL HA 1 57 VAL H 4.630 . 5.000 3.609 3.579 3.657 . 0 0 "[ . 1 . 2]" 1
600 1 56 VAL MG1 1 57 VAL H 4.480 . 6.000 3.697 1.842 3.841 0.058 17 0 "[ . 1 . 2]" 1
601 1 56 VAL MG2 1 57 VAL HA 2.960 . 4.500 3.258 2.794 3.440 . 0 0 "[ . 1 . 2]" 1
602 1 56 VAL HA 1 59 SER HB2 4.230 . 5.000 3.789 3.542 4.038 . 0 0 "[ . 1 . 2]" 1
603 1 56 VAL HB 1 56 VAL MG2 3.120 . 4.500 2.141 2.132 2.155 . 0 0 "[ . 1 . 2]" 1
604 1 56 VAL MG2 1 57 VAL HB 3.240 . 4.500 3.213 3.078 3.427 . 0 0 "[ . 1 . 2]" 1
605 1 56 VAL MG1 1 56 VAL MG2 2.690 . 4.700 1.986 1.926 2.041 . 0 0 "[ . 1 . 2]" 1
606 1 56 VAL HB 1 57 VAL H 3.880 . 5.000 3.549 3.445 3.855 . 0 0 "[ . 1 . 2]" 1
607 1 57 VAL H 1 71 CYS H 3.670 . 5.000 4.426 3.532 5.008 0.008 14 0 "[ . 1 . 2]" 1
608 1 57 VAL HA 1 58 ALA H 3.870 . 5.000 3.582 3.531 3.610 . 0 0 "[ . 1 . 2]" 1
609 1 57 VAL H 1 70 MET HB2 3.890 . 5.000 4.731 3.335 5.037 0.037 16 0 "[ . 1 . 2]" 1
610 1 57 VAL H 1 57 VAL MG1 3.340 . 4.500 1.914 1.819 2.232 0.081 7 0 "[ . 1 . 2]" 1
611 1 57 VAL H 1 57 VAL MG2 4.230 . 6.000 3.784 3.770 3.823 . 0 0 "[ . 1 . 2]" 1
612 1 57 VAL MG2 1 61 LEU H 3.610 . 6.000 3.574 2.699 4.182 . 0 0 "[ . 1 . 2]" 1
613 1 57 VAL HB 1 58 ALA H 3.660 . 5.000 3.878 3.812 4.032 . 0 0 "[ . 1 . 2]" 1
614 1 57 VAL H 1 57 VAL HB 3.680 . 5.000 2.693 2.528 2.786 . 0 0 "[ . 1 . 2]" 1
615 1 57 VAL HA 1 60 GLN H 4.260 . 5.000 3.997 3.406 4.411 . 0 0 "[ . 1 . 2]" 1
616 1 57 VAL H 1 58 ALA H 3.820 . 5.000 2.837 2.724 2.979 . 0 0 "[ . 1 . 2]" 1
617 1 57 VAL MG2 1 61 LEU HG 2.600 . 3.700 2.552 1.829 3.112 0.071 5 0 "[ . 1 . 2]" 1
618 1 57 VAL HB 1 57 VAL MG2 2.600 . 3.700 2.131 2.111 2.155 . 0 0 "[ . 1 . 2]" 1
619 1 57 VAL MG1 1 58 ALA HA 4.320 . 6.000 3.384 3.084 3.528 . 0 0 "[ . 1 . 2]" 1
620 1 57 VAL HA 1 57 VAL MG2 3.200 . 4.500 2.384 2.279 2.460 . 0 0 "[ . 1 . 2]" 1
621 1 57 VAL MG1 1 70 MET HB3 3.180 . 4.500 3.494 3.227 3.726 . 0 0 "[ . 1 . 2]" 1
622 1 57 VAL MG1 1 71 CYS HB2 3.990 . 6.000 2.936 2.510 3.598 . 0 0 "[ . 1 . 2]" 1
623 1 57 VAL MG1 1 57 VAL MG2 2.810 . 5.500 1.964 1.864 2.067 0.036 10 0 "[ . 1 . 2]" 1
624 1 57 VAL MG2 1 58 ALA HA 3.380 . 4.500 3.363 3.117 3.600 . 0 0 "[ . 1 . 2]" 1
625 1 57 VAL HA 1 57 VAL MG1 2.960 . 4.500 3.182 3.167 3.212 . 0 0 "[ . 1 . 2]" 1
626 1 57 VAL MG2 1 58 ALA H 3.690 . 6.000 3.194 2.880 3.558 . 0 0 "[ . 1 . 2]" 1
627 1 57 VAL HB 1 57 VAL MG1 3.240 . 4.500 2.125 2.109 2.155 . 0 0 "[ . 1 . 2]" 1
628 1 57 VAL MG1 1 58 ALA H 4.030 . 6.000 1.773 1.740 1.845 0.160 9 0 "[ . 1 . 2]" 1
629 1 58 ALA H 1 58 ALA MB 2.920 . 4.500 2.154 2.050 2.262 . 0 0 "[ . 1 . 2]" 1
630 1 58 ALA MB 1 59 SER H 2.920 . 4.500 2.221 1.847 2.567 0.053 3 0 "[ . 1 . 2]" 1
631 1 58 ALA HA 1 62 ARG H 4.060 . 5.000 3.842 3.437 4.289 . 0 0 "[ . 1 . 2]" 1
632 1 58 ALA HA 1 59 SER H 3.080 . 3.500 3.559 3.541 3.575 0.075 11 0 "[ . 1 . 2]" 1
633 1 58 ALA HA 1 61 LEU H 3.850 . 5.000 4.333 3.811 4.699 . 0 0 "[ . 1 . 2]" 1
634 1 59 SER H 1 60 GLN H 3.630 . 5.000 3.017 2.875 3.238 . 0 0 "[ . 1 . 2]" 1
635 1 59 SER H 1 59 SER HB3 3.510 . 5.000 3.420 3.242 3.473 . 0 0 "[ . 1 . 2]" 1
636 1 59 SER HB2 1 60 GLN H 3.190 . 3.500 1.998 1.939 2.119 . 0 0 "[ . 1 . 2]" 1
637 1 59 SER HB2 1 60 GLN HA 3.000 . 3.500 3.606 3.566 3.647 0.147 10 0 "[ . 1 . 2]" 1
638 1 59 SER H 1 59 SER HB2 3.080 . 3.500 3.192 3.070 3.394 . 0 0 "[ . 1 . 2]" 1
639 1 59 SER HA 1 60 GLN H 4.070 . 5.000 3.548 3.530 3.564 . 0 0 "[ . 1 . 2]" 1
640 1 59 SER HB3 1 60 GLN H 3.080 . 3.500 3.534 3.499 3.616 0.116 10 0 "[ . 1 . 2]" 1
641 1 60 GLN H 1 61 LEU H 3.500 . 5.000 3.269 2.860 3.469 . 0 0 "[ . 1 . 2]" 1
642 1 60 GLN HA 1 64 ASN H 4.200 . 5.000 4.816 4.065 5.122 0.122 13 0 "[ . 1 . 2]" 1
643 1 60 GLN HA 1 63 ALA H 3.560 . 5.000 4.229 3.683 5.008 0.008 12 0 "[ . 1 . 2]" 1
644 1 60 GLN HA 1 63 ALA MB 3.160 . 4.500 3.336 2.783 3.642 . 0 0 "[ . 1 . 2]" 1
645 1 61 LEU HA 1 65 ILE HG12 3.160 . 3.500 3.685 3.560 3.781 0.281 20 0 "[ . 1 . 2]" 1
646 1 61 LEU H 1 62 ARG H 3.640 . 5.000 2.845 2.442 3.480 . 0 0 "[ . 1 . 2]" 1
647 1 61 LEU HB3 1 62 ARG H 4.220 . 5.000 3.471 1.957 4.071 . 0 0 "[ . 1 . 2]" 1
648 1 61 LEU H 1 61 LEU HB3 3.810 . 5.000 3.264 2.046 3.667 . 0 0 "[ . 1 . 2]" 1
649 1 61 LEU HA 1 65 ILE MG 2.960 . 4.500 2.985 1.745 3.642 0.155 12 0 "[ . 1 . 2]" 1
650 1 61 LEU H 1 61 LEU HG 3.190 . 3.500 2.935 2.168 3.695 0.195 14 0 "[ . 1 . 2]" 1
651 1 61 LEU HG 1 65 ILE MG 2.600 . 3.700 3.220 3.036 3.324 . 0 0 "[ . 1 . 2]" 1
652 1 61 LEU H 1 63 ALA H 4.610 . 5.000 4.219 3.831 4.996 . 0 0 "[ . 1 . 2]" 1
653 1 61 LEU HG 1 62 ARG H 3.180 . 3.500 3.396 1.862 3.994 0.494 14 0 "[ . 1 . 2]" 1
654 1 62 ARG HA 1 65 ILE MG 2.960 . 4.500 3.521 2.800 3.640 . 0 0 "[ . 1 . 2]" 1
655 1 62 ARG HA 1 65 ILE H 3.130 . 3.500 3.631 3.543 3.752 0.252 10 0 "[ . 1 . 2]" 1
656 1 62 ARG H 1 62 ARG HG3 3.180 . 3.500 3.156 2.642 3.504 0.004 14 0 "[ . 1 . 2]" 1
657 1 62 ARG HA 1 63 ALA H 3.560 . 5.000 3.547 3.376 3.597 . 0 0 "[ . 1 . 2]" 1
658 1 62 ARG HG3 1 63 ALA H 3.990 . 5.000 4.848 4.091 5.034 0.034 7 0 "[ . 1 . 2]" 1
659 1 62 ARG H 1 62 ARG HB3 4.130 . 5.000 3.612 3.434 3.774 . 0 0 "[ . 1 . 2]" 1
660 1 62 ARG H 1 63 ALA H 3.800 . 5.000 2.982 2.058 3.307 . 0 0 "[ . 1 . 2]" 1
661 1 62 ARG HA 1 65 ILE HG12 3.160 . 3.500 2.230 1.956 3.178 . 0 0 "[ . 1 . 2]" 1
662 1 63 ALA H 1 64 ASN H 3.790 . 5.000 2.830 2.153 3.148 . 0 0 "[ . 1 . 2]" 1
663 1 63 ALA HA 1 64 ASN H 3.730 . 5.000 3.565 3.413 3.588 . 0 0 "[ . 1 . 2]" 1
664 1 63 ALA H 1 63 ALA MB 3.040 . 4.500 2.153 2.058 2.294 . 0 0 "[ . 1 . 2]" 1
665 1 63 ALA HA 1 63 ALA MB 2.830 . 4.500 2.134 2.116 2.156 . 0 0 "[ . 1 . 2]" 1
666 1 63 ALA MB 1 64 ASN H 3.640 . 6.000 2.300 2.090 3.061 . 0 0 "[ . 1 . 2]" 1
667 1 64 ASN HA 1 65 ILE H 3.560 . 5.000 2.658 2.445 3.063 . 0 0 "[ . 1 . 2]" 1
668 1 64 ASN HB3 1 67 HIS H 4.280 . 5.000 4.518 3.529 5.046 0.046 20 0 "[ . 1 . 2]" 1
669 1 64 ASN H 1 65 ILE H 4.030 . 5.000 2.918 2.000 3.475 . 0 0 "[ . 1 . 2]" 1
670 1 64 ASN H 1 64 ASN HB3 3.930 . 5.000 3.326 2.784 3.669 . 0 0 "[ . 1 . 2]" 1
671 1 64 ASN HB3 1 65 ILE HA 3.910 . 5.000 4.816 4.679 4.979 . 0 0 "[ . 1 . 2]" 1
672 1 65 ILE MG 1 66 SER H 4.020 . 6.000 3.528 3.164 4.412 . 0 0 "[ . 1 . 2]" 1
673 1 65 ILE MD 1 65 ILE HG12 3.210 . 4.500 2.125 2.109 2.159 . 0 0 "[ . 1 . 2]" 1
674 1 65 ILE H 1 65 ILE HB 3.470 . 3.500 3.311 3.149 3.577 0.077 10 0 "[ . 1 . 2]" 1
675 1 65 ILE HB 1 65 ILE MG 2.600 . 3.700 2.123 2.107 2.144 . 0 0 "[ . 1 . 2]" 1
676 1 65 ILE HB 1 65 ILE MD 2.600 . 3.700 2.356 2.078 2.547 . 0 0 "[ . 1 . 2]" 1
677 1 65 ILE H 1 66 SER H 4.110 . 5.000 4.194 2.761 4.499 . 0 0 "[ . 1 . 2]" 1
678 1 65 ILE HA 1 66 SER H 3.290 . 3.500 2.314 2.168 3.396 . 0 0 "[ . 1 . 2]" 1
679 1 65 ILE HA 1 67 HIS H 4.090 . 5.000 4.061 3.277 4.809 . 0 0 "[ . 1 . 2]" 1
680 1 65 ILE HG12 1 65 ILE MG 3.210 . 4.500 2.350 2.030 2.491 . 0 0 "[ . 1 . 2]" 1
681 1 65 ILE H 1 65 ILE HG12 3.940 . 5.000 2.014 1.826 2.290 0.074 10 0 "[ . 1 . 2]" 1
682 1 65 ILE H 1 65 ILE HG13 4.240 . 5.000 1.944 1.859 2.318 0.041 15 0 "[ . 1 . 2]" 1
683 1 65 ILE H 1 65 ILE MG 3.910 . 6.000 3.444 2.949 3.673 . 0 0 "[ . 1 . 2]" 1
684 1 65 ILE HA 1 65 ILE HG13 4.000 . 5.000 3.647 3.554 3.695 . 0 0 "[ . 1 . 2]" 1
685 1 65 ILE HA 1 65 ILE HG12 3.160 . 3.500 3.070 2.822 3.510 0.010 12 0 "[ . 1 . 2]" 1
686 1 66 SER HA 1 67 HIS H 3.990 . 5.000 3.542 3.340 3.588 . 0 0 "[ . 1 . 2]" 1
687 1 66 SER H 1 66 SER HB2 3.700 . 5.000 3.518 2.687 4.128 . 0 0 "[ . 1 . 2]" 1
688 1 67 HIS HA 1 68 LYS H 3.210 . 3.500 3.067 2.311 3.570 0.070 4 0 "[ . 1 . 2]" 1
689 1 67 HIS HA 1 67 HIS HD2 3.260 . 3.500 2.507 2.087 3.194 . 0 0 "[ . 1 . 2]" 1
690 1 68 LYS HA 1 69 ASP H 3.380 . 3.500 2.536 2.196 2.938 . 0 0 "[ . 1 . 2]" 1
691 1 69 ASP HA 1 70 MET H 3.810 . 5.000 2.488 2.191 2.921 . 0 0 "[ . 1 . 2]" 1
692 1 69 ASP H 1 69 ASP HB2 3.550 . 5.000 3.324 2.416 4.002 . 0 0 "[ . 1 . 2]" 1
693 1 70 MET HB2 1 71 CYS H 3.330 . 3.500 3.267 2.810 3.469 . 0 0 "[ . 1 . 2]" 1
694 1 70 MET HA 1 71 CYS H 3.860 . 5.000 3.270 2.842 3.584 . 0 0 "[ . 1 . 2]" 1
695 1 71 CYS HB3 2 1 CYS HA 3.170 . 3.500 3.748 3.668 3.840 0.340 15 0 "[ . 1 . 2]" 1
696 1 71 CYS HA 2 1 CYS HB3 4.470 . 5.000 3.981 3.788 4.435 . 0 0 "[ . 1 . 2]" 1
697 1 71 CYS HB2 2 1 CYS HA 4.470 . 5.000 4.708 4.222 4.857 . 0 0 "[ . 1 . 2]" 1
698 2 1 CYS HB2 2 2 LEU HA 3.500 . 3.500 3.651 3.618 3.757 0.257 1 0 "[ . 1 . 2]" 1
699 2 2 LEU HA 2 3 GLY H 4.050 . 5.000 2.500 2.250 2.783 . 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 54
_Distance_constraint_stats_list.Viol_count 724
_Distance_constraint_stats_list.Viol_total 1048.554
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0553
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0485
_Distance_constraint_stats_list.Viol_average_violations_only 0.0724
_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 6 ILE 0.182 0.025 20 0 "[ . 1 . 2]"
1 7 GLU 1.743 0.109 17 0 "[ . 1 . 2]"
1 8 GLU 1.366 0.118 12 0 "[ . 1 . 2]"
1 10 ALA 0.182 0.025 20 0 "[ . 1 . 2]"
1 11 ALA 1.743 0.109 17 0 "[ . 1 . 2]"
1 12 LYS 1.366 0.118 12 0 "[ . 1 . 2]"
1 18 VAL 0.057 0.016 6 0 "[ . 1 . 2]"
1 19 LYS 1.588 0.074 13 0 "[ . 1 . 2]"
1 20 LYS 0.391 0.045 3 0 "[ . 1 . 2]"
1 21 CYS 0.728 0.073 20 0 "[ . 1 . 2]"
1 22 CYS 4.314 0.205 18 0 "[ . 1 . 2]"
1 23 TYR 5.398 0.241 20 0 "[ . 1 . 2]"
1 24 ASP 3.292 0.125 20 0 "[ . 1 . 2]"
1 25 GLY 0.728 0.073 20 0 "[ . 1 . 2]"
1 26 ALA 4.257 0.205 18 0 "[ . 1 . 2]"
1 27 SER 3.810 0.241 20 0 "[ . 1 . 2]"
1 28 VAL 2.902 0.125 20 0 "[ . 1 . 2]"
1 33 THR 0.022 0.022 6 0 "[ . 1 . 2]"
1 34 CYS 3.183 0.195 14 0 "[ . 1 . 2]"
1 35 GLU 1.481 0.126 1 0 "[ . 1 . 2]"
1 37 ARG 0.022 0.022 6 0 "[ . 1 . 2]"
1 38 ALA 3.183 0.195 14 0 "[ . 1 . 2]"
1 39 ALA 1.481 0.126 1 0 "[ . 1 . 2]"
1 46 ARG 4.212 0.182 3 0 "[ . 1 . 2]"
1 47 CYS 0.890 0.058 3 0 "[ . 1 . 2]"
1 48 ILE 4.846 0.190 3 0 "[ . 1 . 2]"
1 49 LYS 6.864 0.225 17 0 "[ . 1 . 2]"
1 50 ALA 6.272 0.182 3 0 "[ . 1 . 2]"
1 51 PHE 1.080 0.058 3 0 "[ . 1 . 2]"
1 52 THR 5.282 0.190 3 0 "[ . 1 . 2]"
1 53 GLU 8.953 0.225 17 0 "[ . 1 . 2]"
1 54 CYS 3.973 0.113 14 0 "[ . 1 . 2]"
1 55 CYS 1.961 0.101 20 0 "[ . 1 . 2]"
1 56 VAL 1.381 0.086 19 0 "[ . 1 . 2]"
1 57 VAL 3.616 0.123 7 0 "[ . 1 . 2]"
1 58 ALA 3.583 0.174 16 0 "[ . 1 . 2]"
1 59 SER 3.076 0.101 20 0 "[ . 1 . 2]"
1 60 GLN 0.945 0.086 19 0 "[ . 1 . 2]"
1 61 LEU 1.528 0.123 7 0 "[ . 1 . 2]"
1 62 ARG 1.670 0.174 16 0 "[ . 1 . 2]"
1 63 ALA 1.304 0.091 3 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 6 ILE O 1 10 ALA H 1.900 . 2.100 2.108 2.088 2.125 0.025 20 0 "[ . 1 . 2]" 2
2 1 6 ILE O 1 10 ALA N 2.700 2.700 3.000 2.845 2.774 2.901 . 0 0 "[ . 1 . 2]" 2
3 1 7 GLU O 1 11 ALA H 1.800 . 2.000 2.087 2.069 2.109 0.109 17 0 "[ . 1 . 2]" 2
4 1 7 GLU O 1 11 ALA N 2.700 2.700 3.000 2.904 2.839 2.982 . 0 0 "[ . 1 . 2]" 2
5 1 8 GLU O 1 12 LYS H 1.800 . 2.000 2.068 2.048 2.118 0.118 12 0 "[ . 1 . 2]" 2
6 1 8 GLU O 1 12 LYS N 2.700 2.700 3.000 2.869 2.769 2.955 . 0 0 "[ . 1 . 2]" 2
7 1 18 VAL O 1 22 CYS H 1.800 . 2.000 1.992 1.940 2.016 0.016 6 0 "[ . 1 . 2]" 2
8 1 18 VAL O 1 22 CYS N 2.700 2.700 3.000 2.947 2.885 2.973 . 0 0 "[ . 1 . 2]" 2
9 1 19 LYS O 1 23 TYR H 1.800 . 2.000 2.052 2.035 2.074 0.074 13 0 "[ . 1 . 2]" 2
10 1 19 LYS O 1 23 TYR N 2.700 2.700 3.000 3.027 3.007 3.050 0.050 13 0 "[ . 1 . 2]" 2
11 1 20 LYS O 1 24 ASP H 1.800 . 2.000 2.013 1.990 2.035 0.035 10 0 "[ . 1 . 2]" 2
12 1 20 LYS O 1 24 ASP N 2.700 2.700 3.000 2.793 2.655 2.938 0.045 3 0 "[ . 1 . 2]" 2
13 1 21 CYS O 1 25 GLY H 1.800 . 2.000 2.036 2.006 2.073 0.073 20 0 "[ . 1 . 2]" 2
14 1 21 CYS O 1 25 GLY N 2.700 2.700 3.000 2.889 2.804 2.965 . 0 0 "[ . 1 . 2]" 2
15 1 22 CYS O 1 26 ALA H 1.800 . 2.000 2.129 2.079 2.205 0.205 18 0 "[ . 1 . 2]" 2
16 1 22 CYS O 1 26 ALA N 2.700 2.700 3.000 3.084 3.036 3.153 0.153 18 0 "[ . 1 . 2]" 2
17 1 23 TYR O 1 27 SER H 1.800 . 2.000 2.050 1.984 2.081 0.081 2 0 "[ . 1 . 2]" 2
18 1 23 TYR O 1 27 SER N 2.700 2.700 3.000 2.560 2.459 2.700 0.241 20 0 "[ . 1 . 2]" 2
19 1 24 ASP O 1 28 VAL H 1.800 . 2.000 2.103 2.091 2.125 0.125 20 0 "[ . 1 . 2]" 2
20 1 24 ASP O 1 28 VAL N 2.700 2.700 3.000 3.026 2.915 3.101 0.101 20 0 "[ . 1 . 2]" 2
21 1 33 THR O 1 37 ARG H 1.800 . 2.000 1.920 1.857 2.022 0.022 6 0 "[ . 1 . 2]" 2
22 1 33 THR O 1 37 ARG N 2.700 2.700 3.000 2.814 2.734 2.880 . 0 0 "[ . 1 . 2]" 2
23 1 34 CYS O 1 38 ALA H 1.800 . 2.000 2.159 2.118 2.195 0.195 14 0 "[ . 1 . 2]" 2
24 1 34 CYS O 1 38 ALA N 2.700 2.700 3.000 2.938 2.888 2.988 . 0 0 "[ . 1 . 2]" 2
25 1 35 GLU O 1 39 ALA H 1.800 . 2.000 2.047 2.012 2.088 0.088 1 0 "[ . 1 . 2]" 2
26 1 35 GLU O 1 39 ALA N 2.700 2.700 3.000 2.699 2.574 2.844 0.126 1 0 "[ . 1 . 2]" 2
27 1 46 ARG O 1 50 ALA H 1.800 . 2.000 2.165 2.132 2.182 0.182 3 0 "[ . 1 . 2]" 2
28 1 46 ARG O 1 50 ALA N 2.700 2.700 3.000 3.045 3.011 3.069 0.069 9 0 "[ . 1 . 2]" 2
29 1 47 CYS O 1 51 PHE H 1.800 . 2.000 2.036 2.012 2.058 0.058 3 0 "[ . 1 . 2]" 2
30 1 47 CYS O 1 51 PHE N 2.700 2.700 3.000 2.706 2.668 2.762 0.032 11 0 "[ . 1 . 2]" 2
31 1 48 ILE O 1 52 THR H 1.800 . 2.000 2.099 2.065 2.125 0.125 6 0 "[ . 1 . 2]" 2
32 1 48 ILE O 1 52 THR N 2.700 2.700 3.000 2.556 2.510 2.601 0.190 3 0 "[ . 1 . 2]" 2
33 1 49 LYS O 1 53 GLU H 1.800 . 2.000 2.195 2.155 2.225 0.225 17 0 "[ . 1 . 2]" 2
34 1 49 LYS O 1 53 GLU N 2.700 2.700 3.000 3.148 3.110 3.176 0.176 2 0 "[ . 1 . 2]" 2
35 1 50 ALA O 1 54 CYS H 1.800 . 2.000 2.095 2.081 2.113 0.113 14 0 "[ . 1 . 2]" 2
36 1 50 ALA O 1 54 CYS N 2.700 2.700 3.000 2.999 2.962 3.040 0.040 10 0 "[ . 1 . 2]" 2
37 1 51 PHE O 1 55 CYS H 1.800 . 2.000 1.943 1.875 2.010 0.010 20 0 "[ . 1 . 2]" 2
38 1 51 PHE O 1 55 CYS N 2.700 2.700 3.000 2.711 2.654 2.775 0.046 8 0 "[ . 1 . 2]" 2
39 1 52 THR O 1 56 VAL H 1.800 . 2.000 2.022 2.010 2.045 0.045 8 0 "[ . 1 . 2]" 2
40 1 52 THR O 1 56 VAL N 2.700 2.700 3.000 2.924 2.858 2.981 . 0 0 "[ . 1 . 2]" 2
41 1 53 GLU O 1 57 VAL H 1.800 . 2.000 2.087 2.074 2.107 0.107 17 0 "[ . 1 . 2]" 2
42 1 53 GLU O 1 57 VAL N 2.700 2.700 3.000 3.017 2.991 3.059 0.059 20 0 "[ . 1 . 2]" 2
43 1 54 CYS O 1 58 ALA H 1.800 . 2.000 2.082 2.025 2.104 0.104 17 0 "[ . 1 . 2]" 2
44 1 54 CYS O 1 58 ALA N 2.700 2.700 3.000 3.009 2.962 3.045 0.045 1 0 "[ . 1 . 2]" 2
45 1 55 CYS O 1 59 SER H 1.800 . 2.000 2.068 2.038 2.101 0.101 20 0 "[ . 1 . 2]" 2
46 1 55 CYS O 1 59 SER N 2.700 2.700 3.000 2.993 2.758 3.044 0.044 5 0 "[ . 1 . 2]" 2
47 1 56 VAL O 1 60 GLN H 1.800 . 2.000 2.044 2.016 2.086 0.086 19 0 "[ . 1 . 2]" 2
48 1 56 VAL O 1 60 GLN N 2.700 2.700 3.000 2.831 2.668 3.020 0.032 12 0 "[ . 1 . 2]" 2
49 1 57 VAL O 1 61 LEU H 1.800 . 2.000 2.061 2.013 2.123 0.123 7 0 "[ . 1 . 2]" 2
50 1 57 VAL O 1 61 LEU N 2.700 2.700 3.000 2.937 2.692 3.054 0.054 4 0 "[ . 1 . 2]" 2
51 1 58 ALA O 1 62 ARG H 1.800 . 2.000 2.079 2.016 2.174 0.174 16 0 "[ . 1 . 2]" 2
52 1 58 ALA O 1 62 ARG N 2.700 2.700 3.000 2.868 2.620 2.972 0.080 18 0 "[ . 1 . 2]" 2
53 1 59 SER O 1 63 ALA H 1.800 . 2.000 2.056 2.025 2.091 0.091 3 0 "[ . 1 . 2]" 2
54 1 59 SER O 1 63 ALA N 2.700 2.700 3.000 2.924 2.617 3.022 0.083 20 0 "[ . 1 . 2]" 2
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