NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
640947 |
6nom   |
30561 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6nom
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 604
_Distance_constraint_stats_list.Viol_count 1171
_Distance_constraint_stats_list.Viol_total 2644.330
_Distance_constraint_stats_list.Viol_max 0.958
_Distance_constraint_stats_list.Viol_rms 0.0520
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0109
_Distance_constraint_stats_list.Viol_average_violations_only 0.1129
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 6.034 0.791 8 4 "[ *. + 1 . *-2]"
1 2 THR 8.102 0.234 14 0 "[ . 1 . 2]"
1 3 CYS 8.713 0.769 14 3 "[ -* . 1 +. 2]"
1 4 GLU 10.319 0.791 8 7 "[ ***. + 1 *. *-2]"
1 5 ASN 14.275 0.944 16 3 "[ . 1 - .+ * 2]"
1 6 LEU 11.094 0.944 16 3 "[ . 1 - .+ * 2]"
1 7 SER 3.410 0.691 12 1 "[ . 1 + . 2]"
1 8 GLY 0.074 0.051 14 0 "[ . 1 . 2]"
1 9 THR 0.006 0.006 6 0 "[ . 1 . 2]"
1 10 PHE 5.951 0.607 12 1 "[ . 1 + . 2]"
1 11 LYS 6.476 0.794 12 1 "[ . 1 + . 2]"
1 12 GLY 5.237 0.462 17 0 "[ . 1 . 2]"
1 13 PRO 3.696 0.433 2 0 "[ . 1 . 2]"
1 14 CYS 0.678 0.281 14 0 "[ . 1 . 2]"
1 15 ILE 3.641 0.356 20 0 "[ . 1 . 2]"
1 16 PRO 1.327 0.171 9 0 "[ . 1 . 2]"
1 17 ASP 1.307 0.356 20 0 "[ . 1 . 2]"
1 18 GLY 6.689 0.423 9 0 "[ . 1 . 2]"
1 19 ASN 2.135 0.462 2 0 "[ . 1 . 2]"
1 20 CYS 19.418 0.764 11 3 "[ . 1+ .* -]"
1 21 ASN 4.595 0.789 1 2 "[+ . 1 .- 2]"
1 22 LYS 10.367 0.817 2 2 "[ + .- 1 . 2]"
1 24 CYS 8.058 0.536 11 1 "[ . 1+ . 2]"
1 25 ARG 5.227 0.958 16 2 "[- . 1 .+ 2]"
1 26 ASN 10.567 0.817 2 2 "[ + .- 1 . 2]"
1 27 ASN 3.697 0.237 4 0 "[ . 1 . 2]"
1 28 GLU 8.005 0.433 2 0 "[ . 1 . 2]"
1 29 HIS 6.136 0.958 16 2 "[ . 1- .+ 2]"
1 30 LEU 5.324 0.303 2 0 "[ . 1 . 2]"
1 31 LEU 5.946 0.404 11 0 "[ . 1 . 2]"
1 32 SER 7.654 0.389 18 0 "[ . 1 . 2]"
1 33 GLY 10.176 0.764 11 1 "[ . 1+ . 2]"
1 34 ARG 6.297 0.283 19 0 "[ . 1 . 2]"
1 35 CYS 7.018 0.572 20 1 "[ . 1 . +]"
1 36 ARG 10.655 0.568 3 1 "[ + . 1 . 2]"
1 37 ASP 1.695 0.310 19 0 "[ . 1 . 2]"
1 38 ASP 1.425 0.310 19 0 "[ . 1 . 2]"
1 39 PHE 6.618 0.419 13 0 "[ . 1 . 2]"
1 40 ARG 4.922 0.419 13 0 "[ . 1 . 2]"
1 41 CYS 0.597 0.568 3 1 "[ + . 1 . 2]"
1 42 TRP 2.658 0.409 20 0 "[ . 1 . 2]"
1 43 CYS 1.048 0.118 16 0 "[ . 1 . 2]"
1 44 THR 6.586 0.304 10 0 "[ . 1 . 2]"
1 45 ASN 4.883 0.680 10 2 "[ . +- . 2]"
1 46 ARG 3.764 0.680 10 2 "[ . +- . 2]"
1 47 CYS 1.105 0.209 20 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 7 SER HA 1 8 GLY H 2.463 . 3.222 2.197 2.111 2.370 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLU HA 1 45 ASN H 2.999 . 4.124 3.228 2.801 3.457 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR HA 1 45 ASN H 3.187 . 6.000 5.683 5.477 5.880 . 0 0 "[ . 1 . 2]" 1
4 1 45 ASN H 1 45 ASN HA 2.663 . 3.549 2.892 2.862 2.938 . 0 0 "[ . 1 . 2]" 1
5 1 45 ASN H 1 47 CYS QB 2.850 . 6.000 5.602 5.325 5.851 . 0 0 "[ . 1 . 2]" 1
6 1 32 SER H 1 44 THR H 2.758 . 3.709 2.203 1.847 2.376 . 0 0 "[ . 1 . 2]" 1
7 1 3 CYS H 1 45 ASN H 2.518 . 6.000 4.029 3.805 4.222 . 0 0 "[ . 1 . 2]" 1
8 1 24 CYS H 1 24 CYS QB 2.653 . 3.533 2.225 2.090 2.377 . 0 0 "[ . 1 . 2]" 1
9 1 24 CYS H 1 43 CYS QB 2.702 . 6.000 5.294 4.982 5.606 . 0 0 "[ . 1 . 2]" 1
10 1 24 CYS H 1 24 CYS HA 2.913 . 3.974 2.811 2.759 2.839 . 0 0 "[ . 1 . 2]" 1
11 1 24 CYS H 1 25 ARG H 2.996 . 4.118 2.712 2.601 2.898 . 0 0 "[ . 1 . 2]" 1
12 1 16 PRO HA 1 37 ASP H 2.605 . 3.453 2.906 2.162 3.624 0.171 9 0 "[ . 1 . 2]" 1
13 1 2 THR HA 1 3 CYS H 2.011 . 2.517 2.612 2.565 2.672 0.155 2 0 "[ . 1 . 2]" 1
14 1 44 THR H 1 44 THR HA 2.807 . 3.792 2.925 2.900 2.945 . 0 0 "[ . 1 . 2]" 1
15 1 32 SER HA 1 33 GLY H 2.406 . 6.000 3.426 3.361 3.495 . 0 0 "[ . 1 . 2]" 1
16 1 44 THR H 1 44 THR HB 2.392 . 3.107 2.667 2.517 2.760 . 0 0 "[ . 1 . 2]" 1
17 1 32 SER HB3 1 33 GLY H 2.328 . 3.006 3.190 2.876 3.395 0.389 18 0 "[ . 1 . 2]" 1
18 1 2 THR HB 1 3 CYS H 2.246 . 2.877 2.064 1.977 2.221 . 0 0 "[ . 1 . 2]" 1
19 1 31 LEU QD 1 44 THR H 2.702 . 6.000 4.987 4.409 5.178 . 0 0 "[ . 1 . 2]" 1
20 1 2 THR MG 1 3 CYS H 2.797 . 3.775 3.411 2.997 3.645 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS H 1 44 THR MG 2.699 . 3.609 3.729 3.548 3.870 0.261 7 0 "[ . 1 . 2]" 1
22 1 3 CYS H 1 3 CYS HB2 2.576 . 3.405 2.862 2.648 3.636 0.231 3 0 "[ . 1 . 2]" 1
23 1 42 TRP H 1 42 TRP HB2 2.924 . 3.993 2.464 2.409 2.511 . 0 0 "[ . 1 . 2]" 1
24 1 43 CYS QB 1 44 THR H 2.695 . 6.000 3.633 2.966 3.828 . 0 0 "[ . 1 . 2]" 1
25 1 43 CYS HA 1 44 THR H 2.266 . 2.908 2.108 2.069 2.168 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLU HA 1 5 ASN H 2.168 . 2.756 2.179 2.123 2.250 . 0 0 "[ . 1 . 2]" 1
27 1 5 ASN H 1 5 ASN HA 2.554 . 3.369 2.913 2.895 2.948 . 0 0 "[ . 1 . 2]" 1
28 1 36 ARG HA 1 37 ASP H 2.050 . 2.575 2.518 2.339 2.635 0.060 12 0 "[ . 1 . 2]" 1
29 1 5 ASN H 1 42 TRP HE3 3.154 . 4.397 3.509 3.243 3.886 . 0 0 "[ . 1 . 2]" 1
30 1 5 ASN H 1 5 ASN HB3 2.788 . 3.759 3.162 2.834 3.272 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLU HG2 1 5 ASN H 3.146 . 4.383 2.695 2.464 3.112 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLU HG3 1 5 ASN H 3.193 . 4.467 3.065 2.851 3.296 . 0 0 "[ . 1 . 2]" 1
33 1 37 ASP H 1 39 PHE HB2 2.517 . 6.000 4.310 3.520 4.570 . 0 0 "[ . 1 . 2]" 1
34 1 37 ASP H 1 39 PHE HB3 2.231 . 6.000 5.890 5.131 6.226 0.226 19 0 "[ . 1 . 2]" 1
35 1 36 ARG QB 1 37 ASP H 2.378 . 3.085 2.121 1.899 2.407 . 0 0 "[ . 1 . 2]" 1
36 1 31 LEU HG 1 44 THR H 2.931 . 6.000 5.400 5.101 6.304 0.304 10 0 "[ . 1 . 2]" 1
37 1 44 THR H 1 44 THR MG 2.867 . 3.895 3.823 3.780 3.902 0.007 1 0 "[ . 1 . 2]" 1
38 1 5 ASN H 1 5 ASN HB2 3.227 . 4.528 3.788 2.808 3.988 . 0 0 "[ . 1 . 2]" 1
39 1 33 GLY HA2 1 34 ARG H 2.611 . 3.463 3.056 2.885 3.379 . 0 0 "[ . 1 . 2]" 1
40 1 34 ARG H 1 34 ARG HA 2.573 . 3.400 2.900 2.872 2.938 . 0 0 "[ . 1 . 2]" 1
41 1 26 ASN H 1 26 ASN HA 2.744 . 3.685 2.899 2.858 2.919 . 0 0 "[ . 1 . 2]" 1
42 1 22 LYS HA 1 26 ASN H 3.162 . 4.412 3.419 2.873 4.040 . 0 0 "[ . 1 . 2]" 1
43 1 25 ARG H 1 26 ASN H 2.719 . 3.643 2.494 2.357 2.791 . 0 0 "[ . 1 . 2]" 1
44 1 26 ASN H 1 26 ASN HB3 2.484 . 6.000 3.600 3.563 3.630 . 0 0 "[ . 1 . 2]" 1
45 1 22 LYS QG 1 26 ASN H 2.470 . 6.000 5.245 4.728 5.717 . 0 0 "[ . 1 . 2]" 1
46 1 25 ARG HB3 1 26 ASN H 2.872 . 3.903 3.799 3.414 4.019 0.116 14 0 "[ . 1 . 2]" 1
47 1 34 ARG H 1 34 ARG HG3 2.664 . 3.551 3.024 1.938 3.647 0.096 15 0 "[ . 1 . 2]" 1
48 1 4 GLU H 1 4 GLU QB 2.581 . 3.414 2.488 2.425 2.556 . 0 0 "[ . 1 . 2]" 1
49 1 6 LEU HG 1 7 SER H 3.124 . 4.344 4.045 3.829 4.183 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU QD 1 7 SER H 2.956 . 4.049 2.173 1.867 2.417 0.068 13 0 "[ . 1 . 2]" 1
51 1 30 LEU H 1 30 LEU QD 2.573 . 3.400 2.673 1.720 2.960 0.208 2 0 "[ . 1 . 2]" 1
52 1 30 LEU H 1 30 LEU HB2 2.539 . 3.345 2.606 2.416 2.714 . 0 0 "[ . 1 . 2]" 1
53 1 30 LEU H 1 30 LEU HG 2.456 . 3.210 2.573 2.354 3.513 0.303 2 0 "[ . 1 . 2]" 1
54 1 30 LEU H 1 30 LEU HB3 2.973 . 4.078 3.655 3.582 3.697 . 0 0 "[ . 1 . 2]" 1
55 1 28 GLU HB3 1 30 LEU H 3.226 . 4.527 3.388 3.025 3.718 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU HA 1 7 SER H 2.147 . 2.723 2.137 2.077 2.225 . 0 0 "[ . 1 . 2]" 1
57 1 29 HIS HA 1 30 LEU H 2.573 . 3.401 2.637 2.492 2.808 . 0 0 "[ . 1 . 2]" 1
58 1 7 SER H 1 7 SER HA 2.768 . 3.726 2.897 2.848 2.923 . 0 0 "[ . 1 . 2]" 1
59 1 25 ARG HA 1 30 LEU H 2.415 . 3.144 2.495 2.154 2.850 . 0 0 "[ . 1 . 2]" 1
60 1 7 SER H 1 7 SER HB3 2.628 . 3.491 3.313 2.699 3.640 0.149 19 0 "[ . 1 . 2]" 1
61 1 30 LEU H 1 30 LEU HA 2.615 . 3.470 2.871 2.784 2.908 . 0 0 "[ . 1 . 2]" 1
62 1 29 HIS H 1 30 LEU H 2.531 . 3.332 2.703 2.495 2.930 . 0 0 "[ . 1 . 2]" 1
63 1 3 CYS HA 1 4 GLU H 2.033 . 2.549 2.132 2.099 2.157 . 0 0 "[ . 1 . 2]" 1
64 1 3 CYS HB3 1 4 GLU H 2.677 . 3.573 3.696 3.549 4.342 0.769 14 3 "[ -* . 1 +. 2]" 1
65 1 18 GLY HA2 1 20 CYS H 3.013 . 4.148 3.790 3.437 4.211 0.063 9 0 "[ . 1 . 2]" 1
66 1 20 CYS H 1 20 CYS HA 2.926 . 3.996 2.650 2.168 2.792 . 0 0 "[ . 1 . 2]" 1
67 1 20 CYS H 1 35 CYS HA 2.505 . 6.000 6.349 6.134 6.572 0.572 20 1 "[ . 1 . +]" 1
68 1 1 LYS HA 1 2 THR H 2.132 . 2.700 2.537 2.178 2.746 0.046 17 0 "[ . 1 . 2]" 1
69 1 2 THR H 1 2 THR HB 2.990 . 4.107 3.630 3.455 3.744 . 0 0 "[ . 1 . 2]" 1
70 1 36 ARG QD 1 40 ARG H 2.876 . 6.000 4.114 2.883 4.638 . 0 0 "[ . 1 . 2]" 1
71 1 20 CYS H 1 21 ASN HB2 2.848 . 6.000 5.260 4.704 6.740 0.740 16 1 "[ . 1 .+ 2]" 1
72 1 39 PHE HB2 1 40 ARG H 2.511 . 3.299 3.340 3.158 3.718 0.419 13 0 "[ . 1 . 2]" 1
73 1 39 PHE HB3 1 40 ARG H 2.862 . 3.886 2.559 2.291 2.659 . 0 0 "[ . 1 . 2]" 1
74 1 1 LYS HB3 1 2 THR H 2.826 . 3.825 3.245 2.021 4.010 0.185 5 0 "[ . 1 . 2]" 1
75 1 2 THR H 1 2 THR MG 2.555 . 3.371 2.769 2.450 3.178 . 0 0 "[ . 1 . 2]" 1
76 1 40 ARG H 1 40 ARG HA 2.610 . 3.461 2.945 2.929 2.951 . 0 0 "[ . 1 . 2]" 1
77 1 2 THR H 1 2 THR HA 2.286 . 2.939 2.927 2.919 2.933 . 0 0 "[ . 1 . 2]" 1
78 1 39 PHE HA 1 40 ARG H 1.880 . 6.000 2.556 2.488 2.602 . 0 0 "[ . 1 . 2]" 1
79 1 2 THR H 1 4 GLU H 3.248 . 6.000 5.780 5.607 5.922 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU H 1 6 LEU HA 2.600 . 3.445 2.901 2.845 2.923 . 0 0 "[ . 1 . 2]" 1
81 1 5 ASN HB2 1 6 LEU H 2.346 . 3.034 2.851 2.589 3.978 0.944 16 3 "[ . 1 - .+ * 2]" 1
82 1 5 ASN HB3 1 6 LEU H 2.787 . 3.758 3.834 3.282 3.984 0.226 19 0 "[ . 1 . 2]" 1
83 1 6 LEU H 1 6 LEU HB3 2.458 . 3.213 2.931 2.848 3.004 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU H 1 6 LEU HB2 2.301 . 2.963 2.320 2.179 2.460 . 0 0 "[ . 1 . 2]" 1
85 1 6 LEU H 1 6 LEU HG 2.924 . 6.000 4.275 4.127 4.405 . 0 0 "[ . 1 . 2]" 1
86 1 6 LEU H 1 6 LEU QD 2.435 . 4.267 3.804 3.747 3.860 . 0 0 "[ . 1 . 2]" 1
87 1 5 ASN HA 1 6 LEU H 2.097 . 2.647 2.226 2.151 2.315 . 0 0 "[ . 1 . 2]" 1
88 1 5 ASN HD21 1 6 LEU H 3.239 . 4.551 3.006 2.290 3.473 . 0 0 "[ . 1 . 2]" 1
89 1 31 LEU H 1 45 ASN HA 2.567 . 3.391 3.154 2.824 3.382 . 0 0 "[ . 1 . 2]" 1
90 1 30 LEU HA 1 31 LEU H 2.502 . 3.284 2.779 2.667 2.877 . 0 0 "[ . 1 . 2]" 1
91 1 11 LYS HA 1 12 GLY H 2.312 . 2.980 3.027 2.789 3.442 0.462 17 0 "[ . 1 . 2]" 1
92 1 31 LEU H 1 31 LEU HA 2.574 . 3.402 2.906 2.854 2.922 . 0 0 "[ . 1 . 2]" 1
93 1 30 LEU HB3 1 31 LEU H 2.132 . 2.700 1.856 1.693 2.023 . 0 0 "[ . 1 . 2]" 1
94 1 31 LEU H 1 31 LEU HG 2.323 . 2.998 2.315 2.083 3.402 0.404 11 0 "[ . 1 . 2]" 1
95 1 31 LEU H 1 31 LEU HB2 2.364 . 3.063 2.588 2.230 2.743 . 0 0 "[ . 1 . 2]" 1
96 1 31 LEU H 1 31 LEU HB3 2.329 . 6.000 3.630 3.505 3.674 . 0 0 "[ . 1 . 2]" 1
97 1 30 LEU QD 1 31 LEU H 2.712 . 3.632 3.353 3.242 3.468 . 0 0 "[ . 1 . 2]" 1
98 1 31 LEU H 1 31 LEU QD 2.917 . 3.981 2.684 1.806 2.850 0.079 10 0 "[ . 1 . 2]" 1
99 1 27 ASN H 1 27 ASN HA 2.637 . 3.506 2.894 2.887 2.909 . 0 0 "[ . 1 . 2]" 1
100 1 26 ASN HA 1 27 ASN H 3.268 . 4.603 3.518 3.478 3.549 . 0 0 "[ . 1 . 2]" 1
101 1 38 ASP HB2 1 39 PHE H 2.979 . 4.088 3.740 2.350 3.971 . 0 0 "[ . 1 . 2]" 1
102 1 26 ASN HB3 1 27 ASN H 2.717 . 3.640 3.508 3.199 3.697 0.057 3 0 "[ . 1 . 2]" 1
103 1 27 ASN H 1 27 ASN HB3 2.708 . 3.624 3.309 2.401 3.649 0.025 15 0 "[ . 1 . 2]" 1
104 1 36 ARG QB 1 39 PHE H 2.416 . 3.146 2.888 2.412 3.259 0.113 3 0 "[ . 1 . 2]" 1
105 1 2 THR H 1 3 CYS H 2.979 . 6.000 4.431 4.383 4.478 . 0 0 "[ . 1 . 2]" 1
106 1 26 ASN H 1 27 ASN H 2.501 . 3.283 2.402 2.258 2.496 . 0 0 "[ . 1 . 2]" 1
107 1 9 THR H 1 9 THR MG 2.451 . 3.202 2.110 1.832 2.812 . 0 0 "[ . 1 . 2]" 1
108 1 10 PHE H 1 11 LYS QD 2.519 . 6.000 4.677 4.060 5.236 . 0 0 "[ . 1 . 2]" 1
109 1 10 PHE H 1 11 LYS QB 2.461 . 6.000 5.012 4.629 5.786 . 0 0 "[ . 1 . 2]" 1
110 1 10 PHE HB2 1 11 LYS H 2.992 . 4.111 3.911 2.749 4.358 0.247 17 0 "[ . 1 . 2]" 1
111 1 24 CYS QB 1 25 ARG H 2.899 . 3.950 2.702 2.339 3.138 . 0 0 "[ . 1 . 2]" 1
112 1 25 ARG H 1 25 ARG HB3 2.764 . 3.719 3.588 3.446 3.686 . 0 0 "[ . 1 . 2]" 1
113 1 25 ARG H 1 26 ASN HB2 2.966 . 6.000 4.628 4.417 4.958 . 0 0 "[ . 1 . 2]" 1
114 1 21 ASN HB3 1 21 ASN QD 2.436 . 6.000 2.908 2.236 3.309 . 0 0 "[ . 1 . 2]" 1
115 1 21 ASN HB2 1 21 ASN QD 2.834 . 3.838 3.174 2.810 3.314 . 0 0 "[ . 1 . 2]" 1
116 1 8 GLY HA3 1 10 PHE H 3.099 . 4.299 3.708 3.106 4.350 0.051 14 0 "[ . 1 . 2]" 1
117 1 8 GLY HA3 1 9 THR H 3.036 . 4.188 2.226 2.099 2.762 . 0 0 "[ . 1 . 2]" 1
118 1 9 THR H 1 9 THR HA 2.494 . 3.272 2.832 2.770 2.922 . 0 0 "[ . 1 . 2]" 1
119 1 24 CYS H 1 27 ASN QD 3.072 . 4.252 4.175 3.821 4.305 0.053 16 0 "[ . 1 . 2]" 1
120 1 26 ASN H 1 27 ASN QD 2.678 . 3.575 3.524 3.344 3.695 0.120 19 0 "[ . 1 . 2]" 1
121 1 19 ASN QD 1 39 PHE QD 1.665 . 6.000 5.212 4.870 5.494 . 0 0 "[ . 1 . 2]" 1
122 1 5 ASN HB2 1 5 ASN HD22 2.732 . 3.665 3.563 3.464 4.053 0.388 18 0 "[ . 1 . 2]" 1
123 1 22 LYS H 1 22 LYS QG 2.855 . 3.874 2.057 1.696 2.466 0.197 2 0 "[ . 1 . 2]" 1
124 1 26 ASN HA 1 26 ASN HD21 2.682 . 3.581 2.675 1.769 3.681 0.100 3 0 "[ . 1 . 2]" 1
125 1 31 LEU HA 1 32 SER H 2.946 . 4.031 3.587 3.543 3.612 . 0 0 "[ . 1 . 2]" 1
126 1 32 SER H 1 44 THR HB 2.721 . 3.646 2.184 1.854 2.624 . 0 0 "[ . 1 . 2]" 1
127 1 32 SER H 1 32 SER HA 2.569 . 3.394 2.952 2.926 2.976 . 0 0 "[ . 1 . 2]" 1
128 1 31 LEU H 1 32 SER H 2.295 . 2.953 2.550 2.468 2.636 . 0 0 "[ . 1 . 2]" 1
129 1 32 SER H 1 33 GLY H 2.593 . 3.434 2.063 1.811 2.227 . 0 0 "[ . 1 . 2]" 1
130 1 26 ASN HB3 1 26 ASN HD21 2.553 . 3.368 3.381 2.985 3.477 0.109 1 0 "[ . 1 . 2]" 1
131 1 31 LEU QD 1 32 SER H 3.152 . 4.330 3.887 3.542 3.969 . 0 0 "[ . 1 . 2]" 1
132 1 31 LEU QD 1 45 ASN HD21 2.867 . 3.894 3.098 2.071 3.610 . 0 0 "[ . 1 . 2]" 1
133 1 31 LEU HB3 1 32 SER H 2.606 . 6.000 3.584 3.113 3.764 . 0 0 "[ . 1 . 2]" 1
134 1 32 SER H 1 44 THR MG 3.078 . 4.262 3.818 3.538 4.191 . 0 0 "[ . 1 . 2]" 1
135 1 30 LEU HB2 1 45 ASN HD21 3.010 . 4.142 4.199 4.051 4.308 0.166 11 0 "[ . 1 . 2]" 1
136 1 30 LEU HB3 1 32 SER H 3.004 . 4.132 3.689 3.151 3.964 . 0 0 "[ . 1 . 2]" 1
137 1 31 LEU HG 1 32 SER H 3.149 . 4.389 4.015 3.836 4.660 0.271 10 0 "[ . 1 . 2]" 1
138 1 31 LEU HB2 1 32 SER H 2.391 . 3.106 2.378 2.320 2.512 . 0 0 "[ . 1 . 2]" 1
139 1 19 ASN QD 1 36 ARG QB 3.065 . 6.000 4.236 2.924 5.256 . 0 0 "[ . 1 . 2]" 1
140 1 45 ASN HB2 1 45 ASN HD21 2.581 . 3.414 2.440 2.273 2.841 . 0 0 "[ . 1 . 2]" 1
141 1 26 ASN HB2 1 26 ASN HD21 2.316 . 2.987 2.776 2.196 3.467 0.480 2 0 "[ . 1 . 2]" 1
142 1 24 CYS QB 1 32 SER H 3.394 . 6.000 5.152 5.014 5.269 . 0 0 "[ . 1 . 2]" 1
143 1 22 LYS HA 1 26 ASN HD21 3.180 . 4.444 3.025 1.998 4.469 0.025 6 0 "[ . 1 . 2]" 1
144 1 5 ASN HA 1 42 TRP HZ3 2.253 . 2.887 2.536 2.296 2.901 0.014 1 0 "[ . 1 . 2]" 1
145 1 42 TRP HB2 1 42 TRP HD1 3.031 . 4.179 2.679 2.617 2.829 . 0 0 "[ . 1 . 2]" 1
146 1 31 LEU QD 1 45 ASN HD22 2.582 . 6.000 3.732 3.113 4.379 . 0 0 "[ . 1 . 2]" 1
147 1 19 ASN QD 1 36 ARG QD 3.183 . 6.000 4.290 3.596 5.031 . 0 0 "[ . 1 . 2]" 1
148 1 6 LEU H 1 42 TRP HZ3 2.316 . 2.986 2.962 2.823 3.044 0.058 4 0 "[ . 1 . 2]" 1
149 1 22 LYS HA 1 26 ASN HD22 3.152 . 4.394 3.271 2.797 3.893 . 0 0 "[ . 1 . 2]" 1
150 1 45 ASN HD22 1 46 ARG HD2 2.920 . 3.986 3.526 3.091 3.964 . 0 0 "[ . 1 . 2]" 1
151 1 45 ASN HB2 1 45 ASN HD22 2.951 . 4.040 3.564 3.487 3.739 . 0 0 "[ . 1 . 2]" 1
152 1 28 GLU H 1 28 GLU HB3 2.762 . 3.716 2.733 2.591 2.892 . 0 0 "[ . 1 . 2]" 1
153 1 27 ASN HB3 1 28 GLU H 2.905 . 3.960 3.655 3.422 4.197 0.237 4 0 "[ . 1 . 2]" 1
154 1 26 ASN HB2 1 26 ASN HD22 2.825 . 3.823 3.721 3.460 4.037 0.214 2 0 "[ . 1 . 2]" 1
155 1 24 CYS HA 1 28 GLU H 2.670 . 3.561 3.412 3.170 3.623 0.062 4 0 "[ . 1 . 2]" 1
156 1 24 CYS H 1 28 GLU H 3.146 . 6.000 5.437 5.267 5.633 . 0 0 "[ . 1 . 2]" 1
157 1 5 ASN H 1 5 ASN HD21 2.899 . 6.000 4.454 4.168 4.790 . 0 0 "[ . 1 . 2]" 1
158 1 6 LEU H 1 42 TRP HE3 3.041 . 4.197 3.109 2.845 3.294 . 0 0 "[ . 1 . 2]" 1
159 1 39 PHE H 1 39 PHE QD 2.306 . 2.971 2.664 2.325 3.022 0.051 1 0 "[ . 1 . 2]" 1
160 1 5 ASN HA 1 42 TRP HE3 2.237 . 2.863 2.618 2.203 2.911 0.048 16 0 "[ . 1 . 2]" 1
161 1 39 PHE HA 1 39 PHE QD 2.836 . 3.841 2.813 2.359 3.029 . 0 0 "[ . 1 . 2]" 1
162 1 36 ARG QD 1 39 PHE QD 3.099 . 4.299 2.673 1.903 3.898 . 0 0 "[ . 1 . 2]" 1
163 1 42 TRP HB2 1 42 TRP HE3 2.613 . 6.000 4.084 3.929 4.139 . 0 0 "[ . 1 . 2]" 1
164 1 5 ASN HB2 1 5 ASN HD21 2.635 . 3.503 2.430 2.214 3.503 . 0 0 "[ . 1 . 2]" 1
165 1 5 ASN HD21 1 6 LEU HA 3.297 . 4.656 3.909 3.616 4.191 . 0 0 "[ . 1 . 2]" 1
166 1 5 ASN HB3 1 5 ASN HD21 2.891 . 3.935 3.285 2.178 3.486 . 0 0 "[ . 1 . 2]" 1
167 1 5 ASN HB3 1 42 TRP HE3 2.871 . 6.000 4.934 4.704 5.198 . 0 0 "[ . 1 . 2]" 1
168 1 4 GLU HG2 1 42 TRP HE3 2.211 . 2.822 1.914 1.789 2.193 . 0 0 "[ . 1 . 2]" 1
169 1 36 ARG QB 1 39 PHE QD 2.536 . 3.340 2.994 2.336 3.320 . 0 0 "[ . 1 . 2]" 1
170 1 4 GLU QB 1 42 TRP HE3 2.620 . 6.000 3.794 3.612 4.068 . 0 0 "[ . 1 . 2]" 1
171 1 10 PHE QD 1 11 LYS QD 2.892 . 3.937 2.310 1.763 3.344 0.084 14 0 "[ . 1 . 2]" 1
172 1 10 PHE HB2 1 10 PHE QD 2.516 . 3.308 2.442 2.269 2.677 . 0 0 "[ . 1 . 2]" 1
173 1 10 PHE HB3 1 10 PHE QD 2.348 . 3.037 2.347 2.250 2.515 . 0 0 "[ . 1 . 2]" 1
174 1 19 ASN H 1 36 ARG QD 2.910 . 3.969 3.805 3.339 4.076 0.107 3 0 "[ . 1 . 2]" 1
175 1 10 PHE QD 1 11 LYS QB 2.906 . 6.000 4.182 2.712 4.930 . 0 0 "[ . 1 . 2]" 1
176 1 5 ASN HD21 1 10 PHE QD 1.732 . 6.000 6.085 5.485 6.607 0.607 12 1 "[ . 1 + . 2]" 1
177 1 10 PHE QD 1 42 TRP HZ2 2.975 . 6.000 5.612 4.586 6.093 0.093 4 0 "[ . 1 . 2]" 1
178 1 27 ASN H 1 29 HIS H 2.998 . 4.122 3.503 3.334 3.628 . 0 0 "[ . 1 . 2]" 1
179 1 28 GLU H 1 29 HIS H 2.279 . 2.928 2.005 1.933 2.201 . 0 0 "[ . 1 . 2]" 1
180 1 25 ARG HA 1 29 HIS H 2.663 . 3.550 2.808 2.531 2.928 . 0 0 "[ . 1 . 2]" 1
181 1 29 HIS H 1 29 HIS HA 2.032 . 2.548 2.238 2.214 2.252 . 0 0 "[ . 1 . 2]" 1
182 1 28 GLU HB3 1 29 HIS H 3.096 . 4.294 3.035 2.981 3.100 . 0 0 "[ . 1 . 2]" 1
183 1 4 GLU H 1 4 GLU HA 2.818 . 3.810 2.939 2.929 2.944 . 0 0 "[ . 1 . 2]" 1
184 1 6 LEU HB3 1 6 LEU QD 2.545 . 3.354 2.094 2.080 2.114 . 0 0 "[ . 1 . 2]" 1
185 1 8 GLY H 1 8 GLY HA2 2.981 . 4.092 2.609 2.402 2.795 . 0 0 "[ . 1 . 2]" 1
186 1 8 GLY H 1 8 GLY HA3 2.709 . 3.626 2.906 2.811 2.959 . 0 0 "[ . 1 . 2]" 1
187 1 8 GLY H 1 9 THR H 2.732 . 6.000 3.923 2.082 4.389 . 0 0 "[ . 1 . 2]" 1
188 1 33 GLY HA2 1 43 CYS HA 2.547 . 6.000 3.430 2.867 4.123 . 0 0 "[ . 1 . 2]" 1
189 1 33 GLY HA3 1 43 CYS HA 2.774 . 6.000 4.429 4.101 4.700 . 0 0 "[ . 1 . 2]" 1
190 1 43 CYS HA 1 43 CYS QB 2.534 . 3.337 2.398 2.292 2.463 . 0 0 "[ . 1 . 2]" 1
191 1 43 CYS H 1 43 CYS HA 2.876 . 3.910 2.939 2.913 2.951 . 0 0 "[ . 1 . 2]" 1
192 1 5 ASN HA 1 5 ASN HB2 2.343 . 3.029 2.410 2.328 2.631 . 0 0 "[ . 1 . 2]" 1
193 1 5 ASN HA 1 5 ASN HB3 2.688 . 3.591 2.583 2.442 2.986 . 0 0 "[ . 1 . 2]" 1
194 1 4 GLU HG3 1 44 THR HA 3.117 . 4.331 2.958 2.666 3.258 . 0 0 "[ . 1 . 2]" 1
195 1 4 GLU QB 1 44 THR HA 3.026 . 4.171 2.790 2.331 3.226 . 0 0 "[ . 1 . 2]" 1
196 1 2 THR HA 1 44 THR MG 2.677 . 6.000 3.880 3.811 3.963 . 0 0 "[ . 1 . 2]" 1
197 1 2 THR HA 1 2 THR MG 2.048 . 2.572 2.299 2.153 2.439 . 0 0 "[ . 1 . 2]" 1
198 1 2 THR HA 1 31 LEU QD 3.133 . 4.360 4.414 4.145 4.518 0.158 7 0 "[ . 1 . 2]" 1
199 1 36 ARG HA 1 36 ARG QB 2.421 . 3.154 2.264 2.144 2.510 . 0 0 "[ . 1 . 2]" 1
200 1 44 THR HA 1 44 THR HB 2.552 . 3.366 3.018 3.006 3.028 . 0 0 "[ . 1 . 2]" 1
201 1 2 THR HA 1 2 THR HB 1.962 . 2.443 2.505 2.404 2.655 0.212 20 0 "[ . 1 . 2]" 1
202 1 2 THR HA 1 3 CYS HA 2.148 . 6.000 4.253 4.205 4.304 . 0 0 "[ . 1 . 2]" 1
203 1 44 THR HA 1 45 ASN H 2.018 . 2.527 2.183 2.133 2.254 . 0 0 "[ . 1 . 2]" 1
204 1 5 ASN HA 1 5 ASN HD22 3.164 . 6.000 4.869 3.963 5.075 . 0 0 "[ . 1 . 2]" 1
205 1 5 ASN HA 1 5 ASN HD21 2.367 . 6.000 3.806 3.412 3.966 . 0 0 "[ . 1 . 2]" 1
206 1 4 GLU HA 1 44 THR HA 2.185 . 2.782 2.011 1.871 2.212 . 0 0 "[ . 1 . 2]" 1
207 1 44 THR HA 1 44 THR MG 2.177 . 2.769 2.246 2.132 2.381 . 0 0 "[ . 1 . 2]" 1
208 1 3 CYS H 1 3 CYS HA 2.789 . 3.761 2.785 2.754 2.821 . 0 0 "[ . 1 . 2]" 1
209 1 30 LEU HB3 1 45 ASN HA 2.956 . 4.048 3.484 2.942 3.775 . 0 0 "[ . 1 . 2]" 1
210 1 45 ASN HA 1 46 ARG HB2 2.406 . 6.000 5.114 4.849 5.740 . 0 0 "[ . 1 . 2]" 1
211 1 45 ASN HA 1 46 ARG HG3 2.902 . 3.955 3.686 3.187 4.009 0.054 16 0 "[ . 1 . 2]" 1
212 1 15 ILE MD 1 36 ARG HA 2.928 . 4.000 3.456 3.163 3.913 . 0 0 "[ . 1 . 2]" 1
213 1 26 ASN HA 1 26 ASN HB3 2.522 . 3.317 2.577 2.488 2.653 . 0 0 "[ . 1 . 2]" 1
214 1 5 ASN HD22 1 7 SER HA 3.071 . 4.250 3.309 2.748 4.941 0.691 12 1 "[ . 1 + . 2]" 1
215 1 11 LYS H 1 11 LYS HA 2.968 . 4.069 2.268 2.249 2.281 . 0 0 "[ . 1 . 2]" 1
216 1 11 LYS HA 1 11 LYS QB 2.461 . 3.218 2.372 2.161 2.490 . 0 0 "[ . 1 . 2]" 1
217 1 11 LYS HA 1 11 LYS HG2 3.099 . 4.299 3.414 2.882 3.683 . 0 0 "[ . 1 . 2]" 1
218 1 11 LYS HA 1 11 LYS HG3 2.863 . 3.887 2.658 2.184 4.172 0.285 4 0 "[ . 1 . 2]" 1
219 1 6 LEU QD 1 34 ARG QB 2.816 . 3.807 3.912 3.821 4.036 0.229 7 0 "[ . 1 . 2]" 1
220 1 6 LEU HB2 1 6 LEU QD 2.915 . 3.924 2.336 2.272 2.376 . 0 0 "[ . 1 . 2]" 1
221 1 6 LEU MD1 1 6 LEU MD2 2.096 . 2.645 2.053 2.036 2.068 . 0 0 "[ . 1 . 2]" 1
222 1 6 LEU QD 1 11 LYS QD 3.136 . 6.000 3.756 3.165 3.971 . 0 0 "[ . 1 . 2]" 1
223 1 6 LEU QD 1 6 LEU HG 2.053 . 2.580 1.886 1.880 1.892 . 0 0 "[ . 1 . 2]" 1
224 1 6 LEU HB3 1 6 LEU HG 2.538 . 3.343 3.039 3.030 3.052 . 0 0 "[ . 1 . 2]" 1
225 1 6 LEU HB2 1 6 LEU HG 2.464 . 3.223 2.431 2.404 2.456 . 0 0 "[ . 1 . 2]" 1
226 1 31 LEU MD1 1 31 LEU MD2 1.779 . 2.174 2.079 2.056 2.087 . 0 0 "[ . 1 . 2]" 1
227 1 31 LEU QD 1 44 THR MG 2.111 . 2.668 2.369 2.180 2.691 0.023 9 0 "[ . 1 . 2]" 1
228 1 2 THR MG 1 31 LEU QD 2.078 . 2.618 2.172 2.062 2.364 . 0 0 "[ . 1 . 2]" 1
229 1 31 LEU QD 1 31 LEU HG 2.076 . 2.615 1.888 1.870 1.895 . 0 0 "[ . 1 . 2]" 1
230 1 31 LEU HB2 1 31 LEU QD 2.231 . 2.853 2.332 2.093 2.384 . 0 0 "[ . 1 . 2]" 1
231 1 31 LEU HB3 1 31 LEU QD 2.236 . 2.861 2.114 2.092 2.130 . 0 0 "[ . 1 . 2]" 1
232 1 4 GLU QB 1 31 LEU QD 3.062 . 6.000 5.263 4.864 5.558 . 0 0 "[ . 1 . 2]" 1
233 1 31 LEU QD 1 45 ASN HA 2.584 . 3.419 2.434 1.740 3.147 0.136 10 0 "[ . 1 . 2]" 1
234 1 31 LEU HA 1 31 LEU QD . . 2.504 2.145 2.002 2.749 0.245 10 0 "[ . 1 . 2]" 1
235 1 31 LEU QD 1 44 THR HB 2.870 . 3.899 3.449 3.199 3.720 . 0 0 "[ . 1 . 2]" 1
236 1 1 LYS HA 1 2 THR MG 2.899 . 3.950 3.729 3.352 4.103 0.153 19 0 "[ . 1 . 2]" 1
237 1 2 THR HB 1 2 THR MG 2.027 . 2.541 2.130 2.124 2.134 . 0 0 "[ . 1 . 2]" 1
238 1 2 THR MG 1 45 ASN HA 2.438 . 6.000 4.369 3.866 4.919 . 0 0 "[ . 1 . 2]" 1
239 1 30 LEU QD 1 45 ASN HA 2.703 . 3.638 3.562 3.233 3.715 0.077 5 0 "[ . 1 . 2]" 1
240 1 15 ILE HG13 1 15 ILE MG 2.445 . 3.193 3.199 3.160 3.227 0.034 9 0 "[ . 1 . 2]" 1
241 1 15 ILE MD 1 15 ILE HG12 2.172 . 2.762 2.116 2.107 2.131 . 0 0 "[ . 1 . 2]" 1
242 1 15 ILE MD 1 15 ILE HG13 2.125 . 2.689 2.113 2.109 2.124 . 0 0 "[ . 1 . 2]" 1
243 1 15 ILE MD 1 17 ASP HB2 3.037 . 4.190 3.176 2.113 4.546 0.356 20 0 "[ . 1 . 2]" 1
244 1 30 LEU HB2 1 30 LEU QD 2.366 . 3.066 2.369 2.079 2.437 . 0 0 "[ . 1 . 2]" 1
245 1 30 LEU HB3 1 30 LEU QD 2.268 . 2.911 2.116 2.070 2.242 . 0 0 "[ . 1 . 2]" 1
246 1 30 LEU QD 1 30 LEU HG 2.187 . 2.590 1.891 1.867 1.896 . 0 0 "[ . 1 . 2]" 1
247 1 28 GLU HB2 1 30 LEU QD 2.609 . 3.488 3.462 2.972 3.587 0.099 17 0 "[ . 1 . 2]" 1
248 1 28 GLU HB3 1 30 LEU QD 2.616 . 3.471 2.425 1.708 2.710 0.053 5 0 "[ . 1 . 2]" 1
249 1 6 LEU HB3 1 11 LYS QD 2.277 . 2.925 2.825 2.543 3.059 0.134 18 0 "[ . 1 . 2]" 1
250 1 30 LEU QD 1 43 CYS QB 2.325 . 3.001 2.860 1.778 3.119 0.118 16 0 "[ . 1 . 2]" 1
251 1 30 LEU HA 1 30 LEU QD 1.988 . 2.482 2.131 2.000 2.612 0.130 5 0 "[ . 1 . 2]" 1
252 1 30 LEU QD 1 44 THR MG 2.649 . 6.000 5.019 4.648 5.133 . 0 0 "[ . 1 . 2]" 1
253 1 31 LEU HB2 1 44 THR MG 2.667 . 3.556 2.745 2.258 2.956 . 0 0 "[ . 1 . 2]" 1
254 1 31 LEU HB3 1 44 THR MG 2.784 . 3.753 3.736 3.021 3.872 0.119 3 0 "[ . 1 . 2]" 1
255 1 4 GLU QB 1 44 THR MG 3.220 . 4.516 1.921 1.856 2.154 0.068 19 0 "[ . 1 . 2]" 1
256 1 9 THR MG 1 11 LYS QD 3.141 . 6.000 5.362 5.123 5.751 . 0 0 "[ . 1 . 2]" 1
257 1 9 THR HA 1 9 THR MG 2.172 . 6.000 3.215 3.205 3.224 . 0 0 "[ . 1 . 2]" 1
258 1 9 THR HB 1 9 THR MG 1.988 . 2.482 2.133 2.128 2.137 . 0 0 "[ . 1 . 2]" 1
259 1 44 THR HB 1 44 THR MG 1.950 . 2.425 2.115 2.093 2.128 . 0 0 "[ . 1 . 2]" 1
260 1 44 THR MG 1 45 ASN HA 3.065 . 4.239 3.508 3.173 3.954 . 0 0 "[ . 1 . 2]" 1
261 1 44 THR MG 1 45 ASN H 2.425 . 3.160 2.512 2.305 2.701 . 0 0 "[ . 1 . 2]" 1
262 1 11 LYS QB 1 11 LYS HG3 2.544 . 3.353 2.417 2.129 2.491 . 0 0 "[ . 1 . 2]" 1
263 1 11 LYS QD 1 11 LYS HG2 2.223 . 2.841 2.348 2.158 2.463 . 0 0 "[ . 1 . 2]" 1
264 1 2 THR MG 1 46 ARG HG2 2.404 . 3.127 2.846 2.221 3.199 0.072 9 0 "[ . 1 . 2]" 1
265 1 36 ARG QB 1 36 ARG HG3 2.658 . 2.994 2.289 2.119 2.486 . 0 0 "[ . 1 . 2]" 1
266 1 36 ARG HA 1 36 ARG HG3 3.071 . 4.250 3.465 2.258 4.021 . 0 0 "[ . 1 . 2]" 1
267 1 30 LEU HB2 1 31 LEU HB2 1.876 . 6.000 5.187 4.771 5.581 . 0 0 "[ . 1 . 2]" 1
268 1 30 LEU HB3 1 31 LEU HB3 1.959 . 6.000 5.463 5.329 5.582 . 0 0 "[ . 1 . 2]" 1
269 1 30 LEU HB2 1 31 LEU HA 2.420 . 6.000 4.882 4.791 5.055 . 0 0 "[ . 1 . 2]" 1
270 1 30 LEU HA 1 31 LEU HB3 2.654 . 6.000 5.682 5.566 5.781 . 0 0 "[ . 1 . 2]" 1
271 1 25 ARG H 1 25 ARG HB2 2.794 . 3.770 2.443 2.121 2.566 . 0 0 "[ . 1 . 2]" 1
272 1 25 ARG H 1 25 ARG QG 2.534 . 3.337 2.438 2.001 3.407 0.070 20 0 "[ . 1 . 2]" 1
273 1 25 ARG QG 1 26 ASN H 3.032 . 4.181 4.136 3.992 4.581 0.400 16 0 "[ . 1 . 2]" 1
274 1 25 ARG HB2 1 26 ASN H 2.941 . 4.022 2.869 2.473 3.158 . 0 0 "[ . 1 . 2]" 1
275 1 11 LYS QB 1 11 LYS HG2 2.302 . 2.964 2.197 2.135 2.499 . 0 0 "[ . 1 . 2]" 1
276 1 34 ARG QB 1 34 ARG HG3 2.382 . 3.091 2.337 2.247 2.393 . 0 0 "[ . 1 . 2]" 1
277 1 25 ARG HB2 1 25 ARG QD 2.613 . 3.467 3.188 2.215 3.392 . 0 0 "[ . 1 . 2]" 1
278 1 34 ARG HG3 1 42 TRP HB2 2.839 . 6.000 4.496 3.502 5.183 . 0 0 "[ . 1 . 2]" 1
279 1 11 LYS HA 1 11 LYS QD 2.631 . 6.000 3.495 2.835 4.362 . 0 0 "[ . 1 . 2]" 1
280 1 19 ASN H 1 22 LYS QG 3.518 . 5.065 4.924 4.834 5.027 . 0 0 "[ . 1 . 2]" 1
281 1 30 LEU HA 1 31 LEU HB2 2.881 . 6.000 5.134 4.776 5.241 . 0 0 "[ . 1 . 2]" 1
282 1 46 ARG HA 1 46 ARG HG3 3.081 . 4.267 2.709 2.497 3.451 . 0 0 "[ . 1 . 2]" 1
283 1 46 ARG HD3 1 46 ARG HG3 2.803 . 3.785 3.013 3.009 3.016 . 0 0 "[ . 1 . 2]" 1
284 1 46 ARG HB3 1 46 ARG HG3 2.284 . 2.936 2.784 2.543 2.974 0.038 10 0 "[ . 1 . 2]" 1
285 1 11 LYS QB 1 11 LYS QD 1.695 . 6.000 2.221 2.083 2.401 . 0 0 "[ . 1 . 2]" 1
286 1 46 ARG HB2 1 46 ARG HG2 2.503 . 3.286 2.777 2.532 2.978 . 0 0 "[ . 1 . 2]" 1
287 1 31 LEU HB3 1 31 LEU HG 2.592 . 3.432 2.953 2.488 3.011 . 0 0 "[ . 1 . 2]" 1
288 1 46 ARG HA 1 46 ARG HB2 2.837 . 3.843 3.003 2.696 3.024 . 0 0 "[ . 1 . 2]" 1
289 1 30 LEU HB2 1 30 LEU HG 2.414 . 3.143 2.420 2.339 2.997 . 0 0 "[ . 1 . 2]" 1
290 1 25 ARG QD 1 30 LEU HG 2.396 . 6.000 4.604 4.103 5.397 . 0 0 "[ . 1 . 2]" 1
291 1 30 LEU HA 1 30 LEU HG 2.788 . 3.760 3.324 2.351 3.501 . 0 0 "[ . 1 . 2]" 1
292 1 30 LEU HG 1 31 LEU H 3.007 . 6.000 4.546 3.636 4.734 . 0 0 "[ . 1 . 2]" 1
293 1 2 THR MG 1 4 GLU QB 2.790 . 6.000 5.761 5.672 5.913 . 0 0 "[ . 1 . 2]" 1
294 1 15 ILE HG12 1 36 ARG QB 3.268 . 4.603 3.981 3.329 4.938 0.335 9 0 "[ . 1 . 2]" 1
295 1 25 ARG HB3 1 25 ARG QD 2.686 . 3.588 2.657 2.380 3.352 . 0 0 "[ . 1 . 2]" 1
296 1 36 ARG QB 1 37 ASP HA 3.077 . 6.000 4.085 3.564 4.463 . 0 0 "[ . 1 . 2]" 1
297 1 4 GLU QB 1 44 THR H 2.857 . 6.000 4.648 4.311 5.125 . 0 0 "[ . 1 . 2]" 1
298 1 4 GLU QB 1 45 ASN H 2.705 . 6.000 4.065 3.693 4.398 . 0 0 "[ . 1 . 2]" 1
299 1 30 LEU HA 1 30 LEU HB3 2.471 . 3.234 2.412 2.375 2.522 . 0 0 "[ . 1 . 2]" 1
300 1 13 PRO QB 1 13 PRO HG2 2.376 . 3.082 2.221 2.174 2.271 . 0 0 "[ . 1 . 2]" 1
301 1 46 ARG HB3 1 46 ARG HG2 2.858 . 3.879 2.248 2.204 2.318 . 0 0 "[ . 1 . 2]" 1
302 1 2 THR MG 1 46 ARG HB3 2.868 . 3.896 3.819 1.982 4.022 0.126 19 0 "[ . 1 . 2]" 1
303 1 30 LEU HB3 1 31 LEU QD 2.869 . 3.898 3.733 2.803 3.871 . 0 0 "[ . 1 . 2]" 1
304 1 1 LYS HA 1 1 LYS HB3 2.866 . 3.893 2.539 2.373 3.026 . 0 0 "[ . 1 . 2]" 1
305 1 28 GLU HA 1 28 GLU HG3 2.617 . 3.473 2.806 2.317 3.052 . 0 0 "[ . 1 . 2]" 1
306 1 1 LYS HA 1 1 LYS HB2 2.701 . 3.613 2.587 2.384 3.019 . 0 0 "[ . 1 . 2]" 1
307 1 16 PRO HG2 1 17 ASP HA 2.454 . 6.000 4.670 4.007 6.010 0.010 3 0 "[ . 1 . 2]" 1
308 1 22 LYS H 1 22 LYS HB2 2.564 . 3.386 3.564 3.431 3.614 0.228 1 0 "[ . 1 . 2]" 1
309 1 20 CYS HB3 1 34 ARG QB 2.993 . 6.000 4.267 3.167 4.693 . 0 0 "[ . 1 . 2]" 1
310 1 16 PRO HA 1 16 PRO HB3 2.780 . 3.746 2.298 2.255 2.321 . 0 0 "[ . 1 . 2]" 1
311 1 34 ARG H 1 34 ARG QB 2.658 . 3.541 2.235 1.906 2.780 . 0 0 "[ . 1 . 2]" 1
312 1 15 ILE HB 1 15 ILE HG12 2.762 . 3.716 3.021 2.997 3.043 . 0 0 "[ . 1 . 2]" 1
313 1 15 ILE HB 1 15 ILE HG13 2.811 . 3.799 2.417 2.307 2.517 . 0 0 "[ . 1 . 2]" 1
314 1 15 ILE HB 1 15 ILE MG 2.160 . 2.743 2.126 2.123 2.131 . 0 0 "[ . 1 . 2]" 1
315 1 15 ILE HB 1 15 ILE MD 2.408 . 3.133 2.490 2.353 2.689 . 0 0 "[ . 1 . 2]" 1
316 1 1 LYS HD2 1 4 GLU QB 2.533 . 3.335 3.029 2.437 4.126 0.791 8 4 "[ *. + 1 . *-2]" 1
317 1 15 ILE HB 1 17 ASP HB2 3.009 . 4.141 3.623 3.176 4.315 0.174 7 0 "[ . 1 . 2]" 1
318 1 4 GLU QB 1 5 ASN H 3.169 . 4.424 3.638 3.561 3.771 . 0 0 "[ . 1 . 2]" 1
319 1 4 GLU H 1 4 GLU HG3 3.239 . 6.000 4.776 4.720 4.841 . 0 0 "[ . 1 . 2]" 1
320 1 4 GLU HG3 1 34 ARG QB 2.346 . 6.000 5.290 4.803 5.924 . 0 0 "[ . 1 . 2]" 1
321 1 4 GLU QB 1 4 GLU HG3 1.984 . 6.000 2.299 2.260 2.332 . 0 0 "[ . 1 . 2]" 1
322 1 4 GLU HG3 1 5 ASN HB3 1.947 . 6.000 6.010 5.866 6.114 0.114 14 0 "[ . 1 . 2]" 1
323 1 36 ARG QB 1 39 PHE HB2 2.947 . 4.033 2.628 1.895 3.221 . 0 0 "[ . 1 . 2]" 1
324 1 4 GLU HG3 1 32 SER HB2 2.736 . 3.672 3.729 3.645 3.784 0.112 17 0 "[ . 1 . 2]" 1
325 1 36 ARG QB 1 40 ARG HA 2.899 . 6.000 3.895 2.521 5.094 . 0 0 "[ . 1 . 2]" 1
326 1 4 GLU HA 1 4 GLU HG3 2.689 . 3.593 2.735 2.626 2.876 . 0 0 "[ . 1 . 2]" 1
327 1 4 GLU HG2 1 5 ASN HD21 2.493 . 6.000 6.130 6.061 6.368 0.368 12 0 "[ . 1 . 2]" 1
328 1 4 GLU HA 1 4 GLU HG2 2.812 . 3.801 3.048 2.975 3.108 . 0 0 "[ . 1 . 2]" 1
329 1 4 GLU HG2 1 42 TRP HB3 2.834 . 3.838 2.421 2.064 2.905 . 0 0 "[ . 1 . 2]" 1
330 1 28 GLU HB2 1 30 LEU HG 2.608 . 6.000 4.139 3.731 5.662 . 0 0 "[ . 1 . 2]" 1
331 1 4 GLU QB 1 4 GLU HG2 2.474 . 3.239 2.399 2.369 2.433 . 0 0 "[ . 1 . 2]" 1
332 1 10 PHE H 1 10 PHE HB2 3.256 . 4.581 2.658 2.164 3.663 . 0 0 "[ . 1 . 2]" 1
333 1 27 ASN HA 1 27 ASN HB3 2.599 . 3.443 2.482 2.307 2.646 . 0 0 "[ . 1 . 2]" 1
334 1 24 CYS HA 1 24 CYS QB 2.497 . 3.276 2.486 2.439 2.543 . 0 0 "[ . 1 . 2]" 1
335 1 21 ASN HA 1 24 CYS QB 2.965 . 4.064 3.558 3.030 3.976 . 0 0 "[ . 1 . 2]" 1
336 1 24 CYS QB 1 25 ARG QD 2.812 . 3.800 2.837 2.242 3.308 . 0 0 "[ . 1 . 2]" 1
337 1 5 ASN HB3 1 6 LEU HA 2.258 . 6.000 5.651 4.457 5.933 . 0 0 "[ . 1 . 2]" 1
338 1 24 CYS QB 1 30 LEU HB2 2.917 . 3.981 2.380 2.130 3.005 . 0 0 "[ . 1 . 2]" 1
339 1 24 CYS QB 1 30 LEU QD 3.141 . 4.374 2.888 2.060 3.482 . 0 0 "[ . 1 . 2]" 1
340 1 24 CYS QB 1 43 CYS QB 2.316 . 6.000 3.550 2.791 3.845 . 0 0 "[ . 1 . 2]" 1
341 1 38 ASP HB3 1 39 PHE H 3.203 . 4.486 2.613 2.226 3.702 . 0 0 "[ . 1 . 2]" 1
342 1 38 ASP H 1 38 ASP HB2 2.580 . 3.412 2.702 2.450 3.714 0.302 19 0 "[ . 1 . 2]" 1
343 1 39 PHE HA 1 39 PHE HB3 2.531 . 3.332 2.391 2.329 2.544 . 0 0 "[ . 1 . 2]" 1
344 1 3 CYS HB2 1 47 CYS QB 2.997 . 4.120 2.763 2.442 3.454 . 0 0 "[ . 1 . 2]" 1
345 1 20 CYS HB3 1 36 ARG HG2 2.885 . 3.926 2.271 1.710 3.560 0.134 7 0 "[ . 1 . 2]" 1
346 1 26 ASN HB2 1 27 ASN HB3 1.861 . 6.000 5.192 3.912 5.866 . 0 0 "[ . 1 . 2]" 1
347 1 43 CYS QB 1 45 ASN HB2 2.677 . 6.000 5.052 4.074 5.532 . 0 0 "[ . 1 . 2]" 1
348 1 26 ASN HA 1 26 ASN HB2 2.333 . 3.013 3.004 2.976 3.022 0.009 15 0 "[ . 1 . 2]" 1
349 1 3 CYS HA 1 3 CYS HB2 2.662 . 3.548 2.931 2.417 3.027 . 0 0 "[ . 1 . 2]" 1
350 1 44 THR HA 1 45 ASN HB2 2.428 . 6.000 4.437 4.238 4.580 . 0 0 "[ . 1 . 2]" 1
351 1 19 ASN H 1 20 CYS HB3 2.599 . 6.000 4.907 4.074 5.414 . 0 0 "[ . 1 . 2]" 1
352 1 26 ASN HB2 1 27 ASN QD 3.097 . 4.296 3.188 2.710 4.235 . 0 0 "[ . 1 . 2]" 1
353 1 26 ASN HB2 1 27 ASN H 2.956 . 4.048 2.774 2.620 2.949 . 0 0 "[ . 1 . 2]" 1
354 1 26 ASN H 1 26 ASN HB2 2.680 . 3.577 2.358 2.293 2.477 . 0 0 "[ . 1 . 2]" 1
355 1 21 ASN HB3 1 22 LYS H 2.949 . 4.036 3.172 2.370 4.108 0.072 1 0 "[ . 1 . 2]" 1
356 1 42 TRP H 1 42 TRP HB3 2.460 . 6.000 3.639 3.617 3.676 . 0 0 "[ . 1 . 2]" 1
357 1 42 TRP HB3 1 42 TRP HE3 2.530 . 3.330 2.551 2.403 2.637 . 0 0 "[ . 1 . 2]" 1
358 1 39 PHE HA 1 39 PHE HB2 2.335 . 3.017 3.004 2.988 3.017 . 0 0 "[ . 1 . 2]" 1
359 1 45 ASN HB2 1 46 ARG HD2 1.714 . 6.000 5.535 4.584 6.680 0.680 10 2 "[ . +- . 2]" 1
360 1 26 ASN HB3 1 27 ASN HB2 2.732 . 6.000 5.573 5.319 5.970 . 0 0 "[ . 1 . 2]" 1
361 1 46 ARG HD2 1 46 ARG HG3 2.718 . 3.641 2.427 2.399 2.465 . 0 0 "[ . 1 . 2]" 1
362 1 46 ARG HB3 1 46 ARG HD2 2.734 . 3.668 3.629 3.303 3.810 0.142 1 0 "[ . 1 . 2]" 1
363 1 46 ARG HB2 1 46 ARG HD2 2.883 . 3.922 2.533 2.275 2.856 . 0 0 "[ . 1 . 2]" 1
364 1 46 ARG HD2 1 46 ARG HG2 2.956 . 4.048 3.010 3.007 3.014 . 0 0 "[ . 1 . 2]" 1
365 1 45 ASN HA 1 45 ASN HB3 2.516 . 3.307 3.023 2.982 3.033 . 0 0 "[ . 1 . 2]" 1
366 1 3 CYS HA 1 3 CYS HB3 2.241 . 2.869 2.397 2.329 2.479 . 0 0 "[ . 1 . 2]" 1
367 1 3 CYS H 1 3 CYS HB3 2.817 . 3.809 3.412 2.543 3.597 . 0 0 "[ . 1 . 2]" 1
368 1 6 LEU QD 1 34 ARG QD 3.094 . 4.290 4.059 3.962 4.154 . 0 0 "[ . 1 . 2]" 1
369 1 6 LEU HG 1 34 ARG QD 3.207 . 4.492 4.604 4.520 4.656 0.164 17 0 "[ . 1 . 2]" 1
370 1 6 LEU HA 1 6 LEU QD 2.789 . 3.047 2.198 2.109 2.317 . 0 0 "[ . 1 . 2]" 1
371 1 36 ARG HG2 1 39 PHE HB2 2.991 . 4.109 3.687 2.503 4.133 0.024 14 0 "[ . 1 . 2]" 1
372 1 11 LYS QD 1 11 LYS HE3 2.634 . 3.501 2.320 2.166 2.393 . 0 0 "[ . 1 . 2]" 1
373 1 11 LYS HE3 1 11 LYS HG3 2.957 . 4.050 3.122 2.423 3.901 . 0 0 "[ . 1 . 2]" 1
374 1 36 ARG HG3 1 39 PHE HB2 3.050 . 4.212 3.238 1.971 4.371 0.159 3 0 "[ . 1 . 2]" 1
375 1 20 CYS HB3 1 39 PHE HB2 1.801 . 6.000 4.755 4.521 5.073 . 0 0 "[ . 1 . 2]" 1
376 1 4 GLU HG3 1 42 TRP HB2 3.181 . 4.446 3.930 3.472 4.443 . 0 0 "[ . 1 . 2]" 1
377 1 11 LYS QB 1 11 LYS HE3 2.519 . 6.000 3.844 2.002 4.478 . 0 0 "[ . 1 . 2]" 1
378 1 19 ASN HA 1 22 LYS QE 2.487 . 3.260 2.982 1.916 3.401 0.141 13 0 "[ . 1 . 2]" 1
379 1 19 ASN QB 1 22 LYS QE 2.013 . 2.520 1.839 1.636 2.145 . 0 0 "[ . 1 . 2]" 1
380 1 19 ASN QB 1 22 LYS HD2 2.649 . 3.526 3.016 2.053 3.988 0.462 2 0 "[ . 1 . 2]" 1
381 1 46 ARG HB2 1 46 ARG HD3 2.357 . 3.052 2.415 2.256 2.759 . 0 0 "[ . 1 . 2]" 1
382 1 19 ASN QB 1 22 LYS QG 2.598 . 3.442 1.938 1.775 2.185 . 0 0 "[ . 1 . 2]" 1
383 1 46 ARG HD3 1 46 ARG HG2 2.872 . 3.903 2.458 2.420 2.492 . 0 0 "[ . 1 . 2]" 1
384 1 6 LEU HA 1 6 LEU HG 2.740 . 3.679 2.577 2.527 2.627 . 0 0 "[ . 1 . 2]" 1
385 1 6 LEU HA 1 6 LEU HB2 2.689 . 3.593 2.709 2.684 2.755 . 0 0 "[ . 1 . 2]" 1
386 1 6 LEU HA 1 6 LEU HB3 2.578 . 3.409 2.953 2.931 2.973 . 0 0 "[ . 1 . 2]" 1
387 1 34 ARG QB 1 34 ARG QD 3.103 . 4.307 2.110 2.054 2.284 . 0 0 "[ . 1 . 2]" 1
388 1 20 CYS HB3 1 36 ARG QD 2.607 . 3.456 2.094 1.703 3.159 0.121 3 0 "[ . 1 . 2]" 1
389 1 21 ASN H 1 21 ASN HB2 2.827 . 3.826 2.474 2.113 3.631 . 0 0 "[ . 1 . 2]" 1
390 1 36 ARG QD 1 36 ARG HG3 2.464 . 3.223 2.327 2.128 2.502 . 0 0 "[ . 1 . 2]" 1
391 1 36 ARG QB 1 36 ARG QD 2.669 . 3.560 2.139 1.976 2.489 . 0 0 "[ . 1 . 2]" 1
392 1 36 ARG QD 1 40 ARG HA 2.206 . 6.000 4.701 3.865 5.185 . 0 0 "[ . 1 . 2]" 1
393 1 29 HIS HA 1 29 HIS HB3 2.641 . 3.513 3.012 2.963 3.030 . 0 0 "[ . 1 . 2]" 1
394 1 25 ARG QD 1 43 CYS QB 2.089 . 6.000 5.516 4.834 6.038 0.038 12 0 "[ . 1 . 2]" 1
395 1 36 ARG QD 1 39 PHE HB2 3.106 . 4.312 1.850 1.654 2.937 0.246 5 0 "[ . 1 . 2]" 1
396 1 30 LEU HB2 1 43 CYS QB 2.891 . 6.000 4.361 2.652 4.762 . 0 0 "[ . 1 . 2]" 1
397 1 20 CYS HB3 1 35 CYS HB3 3.036 . 6.000 5.186 4.824 5.890 . 0 0 "[ . 1 . 2]" 1
398 1 12 GLY HA3 1 13 PRO HD2 2.689 . 3.593 3.212 2.816 3.594 0.001 19 0 "[ . 1 . 2]" 1
399 1 10 PHE HA 1 10 PHE QD 2.690 . 3.594 2.927 2.191 3.691 0.097 8 0 "[ . 1 . 2]" 1
400 1 29 HIS H 1 29 HIS HB2 2.720 . 3.645 3.161 3.061 3.231 . 0 0 "[ . 1 . 2]" 1
401 1 13 PRO QB 1 13 PRO HD2 3.135 . 4.106 3.283 2.853 3.517 . 0 0 "[ . 1 . 2]" 1
402 1 13 PRO HD2 1 13 PRO HG2 2.751 . 3.697 2.299 2.261 2.333 . 0 0 "[ . 1 . 2]" 1
403 1 13 PRO HD2 1 13 PRO HG3 2.517 . 3.309 2.847 2.691 2.998 . 0 0 "[ . 1 . 2]" 1
404 1 7 SER H 1 7 SER HB2 2.560 . 3.379 2.905 2.476 3.592 0.213 1 0 "[ . 1 . 2]" 1
405 1 12 GLY HA2 1 13 PRO HD2 2.805 . 3.789 2.639 2.168 3.290 . 0 0 "[ . 1 . 2]" 1
406 1 29 HIS H 1 29 HIS HB3 2.931 . 4.005 3.751 3.644 3.888 . 0 0 "[ . 1 . 2]" 1
407 1 13 PRO HD3 1 13 PRO HG2 2.582 . 3.415 2.844 2.658 2.987 . 0 0 "[ . 1 . 2]" 1
408 1 13 PRO HD3 1 13 PRO HG3 2.619 . 3.477 2.298 2.262 2.319 . 0 0 "[ . 1 . 2]" 1
409 1 12 GLY HA3 1 13 PRO HD3 2.718 . 3.641 3.370 2.686 3.723 0.082 5 0 "[ . 1 . 2]" 1
410 1 12 GLY HA2 1 13 PRO HD3 2.063 . 2.595 2.012 1.775 2.261 . 0 0 "[ . 1 . 2]" 1
411 1 15 ILE HB 1 16 PRO HD3 2.533 . 3.335 3.374 2.974 3.440 0.105 15 0 "[ . 1 . 2]" 1
412 1 15 ILE HB 1 16 PRO HD2 2.494 . 3.271 2.743 2.331 3.269 . 0 0 "[ . 1 . 2]" 1
413 1 16 PRO HD2 1 16 PRO HG2 2.822 . 3.818 2.268 2.255 2.324 . 0 0 "[ . 1 . 2]" 1
414 1 12 GLY H 1 12 GLY HA2 2.692 . 3.598 2.506 2.334 2.943 . 0 0 "[ . 1 . 2]" 1
415 1 22 LYS HA 1 22 LYS QG 2.866 . 3.893 3.313 3.210 3.365 . 0 0 "[ . 1 . 2]" 1
416 1 22 LYS HA 1 25 ARG HB2 2.838 . 3.845 2.721 2.363 2.895 . 0 0 "[ . 1 . 2]" 1
417 1 22 LYS H 1 22 LYS HA 2.794 . 3.770 2.802 2.753 2.843 . 0 0 "[ . 1 . 2]" 1
418 1 32 SER HA 1 32 SER HB3 2.292 . 2.948 2.756 2.579 3.010 0.062 12 0 "[ . 1 . 2]" 1
419 1 21 ASN HA 1 21 ASN HB3 2.809 . 3.795 2.590 2.304 2.951 . 0 0 "[ . 1 . 2]" 1
420 1 21 ASN HA 1 21 ASN HB2 2.633 . 3.500 2.921 2.434 3.023 . 0 0 "[ . 1 . 2]" 1
421 1 33 GLY H 1 33 GLY HA3 2.289 . 2.944 2.791 2.756 2.841 . 0 0 "[ . 1 . 2]" 1
422 1 31 LEU HB2 1 44 THR HB 2.826 . 3.824 2.076 1.802 2.274 0.026 10 0 "[ . 1 . 2]" 1
423 1 24 CYS HA 1 28 GLU HB3 2.485 . 3.257 3.265 3.065 3.387 0.130 7 0 "[ . 1 . 2]" 1
424 1 24 CYS HA 1 28 GLU HG3 3.018 . 6.000 5.745 5.405 6.164 0.164 2 0 "[ . 1 . 2]" 1
425 1 18 GLY HA2 1 20 CYS HB2 2.613 . 6.000 6.127 6.029 6.187 0.187 11 0 "[ . 1 . 2]" 1
426 1 17 ASP HB2 1 18 GLY HA2 2.568 . 6.000 5.216 4.934 6.329 0.329 20 0 "[ . 1 . 2]" 1
427 1 22 LYS HA 1 33 GLY HA3 2.016 . 6.000 5.960 5.448 6.155 0.155 3 0 "[ . 1 . 2]" 1
428 1 32 SER HA 1 32 SER HB2 2.301 . 2.963 2.850 2.544 3.002 0.039 1 0 "[ . 1 . 2]" 1
429 1 7 SER HA 1 7 SER HB3 2.860 . 3.883 2.425 2.344 3.018 . 0 0 "[ . 1 . 2]" 1
430 1 32 SER HB2 1 43 CYS HA 2.887 . 3.929 3.352 2.762 3.991 0.062 16 0 "[ . 1 . 2]" 1
431 1 24 CYS HA 1 27 ASN QD 3.093 . 6.000 3.881 2.378 4.355 . 0 0 "[ . 1 . 2]" 1
432 1 33 GLY HA3 1 34 ARG H 3.142 . 4.376 3.511 3.306 3.595 . 0 0 "[ . 1 . 2]" 1
433 1 31 LEU HA 1 31 LEU HG 2.636 . 3.504 3.203 2.051 3.389 . 0 0 "[ . 1 . 2]" 1
434 1 31 LEU HA 1 31 LEU HB2 2.671 . 3.563 3.001 2.974 3.008 . 0 0 "[ . 1 . 2]" 1
435 1 31 LEU HA 1 31 LEU HB3 2.325 . 3.001 2.390 2.338 2.534 . 0 0 "[ . 1 . 2]" 1
436 1 12 GLY H 1 12 GLY HA3 2.913 . 3.974 2.809 2.334 2.953 . 0 0 "[ . 1 . 2]" 1
437 1 25 ARG H 1 25 ARG HA 2.690 . 3.594 2.868 2.769 2.903 . 0 0 "[ . 1 . 2]" 1
438 1 19 ASN HA 1 19 ASN QB 2.158 . 2.736 2.178 2.155 2.208 . 0 0 "[ . 1 . 2]" 1
439 1 27 ASN HB3 1 28 GLU HA 2.889 . 6.000 4.854 4.381 5.647 . 0 0 "[ . 1 . 2]" 1
440 1 28 GLU HA 1 28 GLU HB2 2.318 . 2.990 2.563 2.497 2.661 . 0 0 "[ . 1 . 2]" 1
441 1 28 GLU HA 1 28 GLU HB3 2.397 . 3.115 3.011 2.976 3.030 . 0 0 "[ . 1 . 2]" 1
442 1 25 ARG HA 1 25 ARG HB3 2.361 . 3.058 2.469 2.410 2.659 . 0 0 "[ . 1 . 2]" 1
443 1 25 ARG HA 1 25 ARG HB2 2.543 . 3.352 2.998 2.920 3.017 . 0 0 "[ . 1 . 2]" 1
444 1 25 ARG HA 1 25 ARG QG 2.249 . 6.000 2.784 1.950 3.146 . 0 0 "[ . 1 . 2]" 1
445 1 18 GLY HA3 1 20 CYS HB3 2.693 . 6.000 5.914 5.676 6.167 0.167 11 0 "[ . 1 . 2]" 1
446 1 24 CYS H 1 30 LEU H 2.987 . 6.000 5.800 5.582 5.982 . 0 0 "[ . 1 . 2]" 1
447 1 38 ASP H 1 39 PHE H 2.990 . 4.108 2.694 2.182 3.436 . 0 0 "[ . 1 . 2]" 1
448 1 37 ASP HA 1 38 ASP H 2.992 . 4.111 3.369 2.053 3.594 . 0 0 "[ . 1 . 2]" 1
449 1 14 CYS HB2 1 36 ARG H 2.981 . 4.092 3.460 2.735 3.928 . 0 0 "[ . 1 . 2]" 1
450 1 19 ASN QB 1 21 ASN H 2.877 . 6.000 4.826 3.936 5.681 . 0 0 "[ . 1 . 2]" 1
451 1 36 ARG H 1 39 PHE HB2 2.909 . 6.000 5.889 5.416 6.086 0.086 12 0 "[ . 1 . 2]" 1
452 1 14 CYS HB3 1 36 ARG H 2.862 . 3.886 2.982 2.596 4.167 0.281 14 0 "[ . 1 . 2]" 1
453 1 20 CYS HB2 1 36 ARG H 3.104 . 4.308 3.893 3.408 4.441 0.133 3 0 "[ . 1 . 2]" 1
454 1 25 ARG HB3 1 27 ASN H 3.018 . 6.000 5.789 5.444 6.075 0.075 4 0 "[ . 1 . 2]" 1
455 1 36 ARG QB 1 38 ASP H 2.491 . 6.000 4.057 3.409 4.895 . 0 0 "[ . 1 . 2]" 1
456 1 15 ILE HG13 1 37 ASP H 2.987 . 4.102 3.780 3.222 4.119 0.017 15 0 "[ . 1 . 2]" 1
457 1 6 LEU QD 1 42 TRP HZ2 2.828 . 4.422 2.548 2.445 2.721 . 0 0 "[ . 1 . 2]" 1
458 1 6 LEU HG 1 42 TRP HZ2 2.966 . 4.066 4.096 4.053 4.222 0.156 3 0 "[ . 1 . 2]" 1
459 1 11 LYS HG2 1 42 TRP HH2 3.154 . 6.000 5.644 4.157 6.409 0.409 20 0 "[ . 1 . 2]" 1
460 1 11 LYS QD 1 42 TRP HH2 3.167 . 4.421 4.217 3.644 4.426 0.005 13 0 "[ . 1 . 2]" 1
461 1 34 ARG QB 1 42 TRP HD1 3.154 . 6.000 4.441 4.045 4.741 . 0 0 "[ . 1 . 2]" 1
462 1 8 GLY HA2 1 10 PHE H 3.281 . 6.000 4.808 4.260 5.548 . 0 0 "[ . 1 . 2]" 1
463 1 19 ASN QD 1 20 CYS HA 3.058 . 4.227 3.615 2.943 4.179 . 0 0 "[ . 1 . 2]" 1
464 1 9 THR H 1 9 THR HB 2.951 . 4.040 2.762 2.491 3.651 . 0 0 "[ . 1 . 2]" 1
465 1 27 ASN H 1 28 GLU H 1.727 . 6.000 2.471 2.376 2.529 . 0 0 "[ . 1 . 2]" 1
466 1 19 ASN H 1 39 PHE QD 1.757 . 6.000 4.660 4.458 4.957 . 0 0 "[ . 1 . 2]" 1
467 1 18 GLY HA3 1 39 PHE QD 2.637 . 3.506 2.952 1.977 3.568 0.062 16 0 "[ . 1 . 2]" 1
468 1 28 GLU H 1 28 GLU HA 2.669 . 3.560 2.941 2.925 2.948 . 0 0 "[ . 1 . 2]" 1
469 1 5 ASN HD21 1 11 LYS QD 3.149 . 4.389 3.722 2.630 5.183 0.794 12 1 "[ . 1 + . 2]" 1
470 1 4 GLU HG3 1 42 TRP HE3 2.334 . 6.000 3.485 3.328 3.785 . 0 0 "[ . 1 . 2]" 1
471 1 44 THR HB 1 45 ASN H 2.990 . 4.107 3.927 3.736 4.132 0.025 5 0 "[ . 1 . 2]" 1
472 1 24 CYS H 1 33 GLY HA3 3.148 . 4.387 4.459 4.207 4.923 0.536 11 1 "[ . 1+ . 2]" 1
473 1 25 ARG HA 1 26 ASN H 2.929 . 4.001 3.507 3.459 3.560 . 0 0 "[ . 1 . 2]" 1
474 1 32 SER HA 1 33 GLY HA3 3.259 . 4.587 4.523 4.294 4.594 0.007 4 0 "[ . 1 . 2]" 1
475 1 22 LYS HA 1 25 ARG HB3 3.147 . 4.385 4.328 3.973 4.513 0.128 10 0 "[ . 1 . 2]" 1
476 1 24 CYS HA 1 25 ARG QG 3.126 . 6.000 5.037 4.709 5.759 . 0 0 "[ . 1 . 2]" 1
477 1 3 CYS HB2 1 4 GLU H 3.130 . 4.354 4.110 3.505 4.260 . 0 0 "[ . 1 . 2]" 1
478 1 20 CYS HB3 1 40 ARG H 2.849 . 6.000 6.172 6.057 6.255 0.255 5 0 "[ . 1 . 2]" 1
479 1 42 TRP HB3 1 42 TRP HZ3 3.049 . 6.000 4.924 4.807 4.989 . 0 0 "[ . 1 . 2]" 1
480 1 20 CYS HB2 1 21 ASN QD 3.166 . 4.419 4.133 3.338 4.464 0.045 16 0 "[ . 1 . 2]" 1
481 1 30 LEU HB3 1 43 CYS QB 3.148 . 6.000 4.760 3.198 5.102 . 0 0 "[ . 1 . 2]" 1
482 1 46 ARG HB3 1 46 ARG HD3 2.892 . 3.938 3.204 2.754 3.625 . 0 0 "[ . 1 . 2]" 1
483 1 31 LEU QD 1 46 ARG HG2 2.964 . 4.062 3.412 2.805 3.974 . 0 0 "[ . 1 . 2]" 1
484 1 15 ILE HG12 1 15 ILE MG 2.664 . 3.551 2.489 2.329 2.698 . 0 0 "[ . 1 . 2]" 1
485 1 6 LEU HG 1 34 ARG QB 3.183 . 6.000 5.017 4.867 5.134 . 0 0 "[ . 1 . 2]" 1
486 1 34 ARG HG3 1 41 CYS HA 3.216 . 6.000 4.928 4.454 5.555 . 0 0 "[ . 1 . 2]" 1
487 1 11 LYS H 1 11 LYS QB 3.134 . 4.362 3.247 2.842 3.378 . 0 0 "[ . 1 . 2]" 1
488 1 32 SER H 1 32 SER HB2 3.094 . 4.291 2.425 2.261 2.721 . 0 0 "[ . 1 . 2]" 1
489 1 24 CYS HA 1 29 HIS HA 2.848 . 6.000 5.642 5.333 5.804 . 0 0 "[ . 1 . 2]" 1
490 1 31 LEU HB3 1 32 SER HB2 3.187 . 6.000 5.002 4.161 5.396 . 0 0 "[ . 1 . 2]" 1
491 1 27 ASN H 1 27 ASN QD 2.284 . 6.000 2.224 2.099 2.301 . 0 0 "[ . 1 . 2]" 1
492 1 8 GLY HA2 1 9 THR H 3.185 . 4.453 3.245 2.822 3.533 . 0 0 "[ . 1 . 2]" 1
493 1 6 LEU QD 1 42 TRP HA 3.018 . 4.157 3.008 2.817 3.249 . 0 0 "[ . 1 . 2]" 1
494 1 44 THR H 1 45 ASN H 2.963 . 6.000 4.472 4.348 4.554 . 0 0 "[ . 1 . 2]" 1
495 1 25 ARG QD 1 29 HIS HE1 2.843 . 6.000 5.584 4.371 5.827 . 0 0 "[ . 1 . 2]" 1
496 1 25 ARG QD 1 29 HIS H 3.129 . 4.353 4.374 3.930 5.311 0.958 16 1 "[ . 1 .+ 2]" 1
497 1 19 ASN QB 1 20 CYS H 3.209 . 4.496 3.874 3.168 4.054 . 0 0 "[ . 1 . 2]" 1
498 1 2 THR H 1 44 THR HB 3.235 . 4.543 4.611 4.348 4.777 0.234 14 0 "[ . 1 . 2]" 1
499 1 31 LEU HB3 1 44 THR HB 3.256 . 4.581 3.486 2.588 3.852 . 0 0 "[ . 1 . 2]" 1
500 1 21 ASN QD 1 25 ARG QD 3.058 . 6.000 4.721 3.948 6.789 0.789 1 1 "[+ . 1 . 2]" 1
501 1 36 ARG H 1 41 CYS HB2 3.107 . 4.313 3.275 2.533 4.881 0.568 3 1 "[ + . 1 . 2]" 1
502 1 22 LYS HB2 1 26 ASN HD22 2.968 . 4.069 3.503 2.454 4.886 0.817 2 2 "[ + .- 1 . 2]" 1
503 1 4 GLU HA 1 44 THR H 2.808 . 6.000 4.540 4.354 4.678 . 0 0 "[ . 1 . 2]" 1
504 1 15 ILE HG12 1 36 ARG H 3.193 . 4.467 4.364 3.915 4.776 0.309 3 0 "[ . 1 . 2]" 1
505 1 34 ARG H 1 43 CYS QB 3.260 . 4.588 2.895 2.489 3.710 . 0 0 "[ . 1 . 2]" 1
506 1 22 LYS HA 1 25 ARG H 3.240 . 4.552 3.518 3.339 3.786 . 0 0 "[ . 1 . 2]" 1
507 1 2 THR HB 1 45 ASN H 3.024 . 4.167 3.513 3.198 3.823 . 0 0 "[ . 1 . 2]" 1
508 1 33 GLY H 1 45 ASN HA 2.795 . 6.000 5.866 5.469 6.036 0.036 12 0 "[ . 1 . 2]" 1
509 1 15 ILE MG 1 37 ASP H 3.251 . 4.572 3.960 3.303 4.206 . 0 0 "[ . 1 . 2]" 1
510 1 26 ASN H 1 27 ASN HA 3.013 . 4.148 4.242 4.073 4.352 0.204 12 0 "[ . 1 . 2]" 1
511 1 33 GLY HA3 1 34 ARG H 2.811 . 3.799 2.788 2.736 2.805 . 0 0 "[ . 1 . 2]" 1
512 1 36 ARG H 1 37 ASP HA 2.590 . 6.000 4.139 3.903 4.496 . 0 0 "[ . 1 . 2]" 1
513 1 1 LYS QG 1 2 THR H 2.651 . 3.530 3.058 2.019 3.603 0.073 13 0 "[ . 1 . 2]" 1
514 1 31 LEU H 1 32 SER H 2.406 . 3.129 2.444 2.365 2.508 . 0 0 "[ . 1 . 2]" 1
515 1 25 ARG HA 1 27 ASN QD 2.752 . 6.000 5.171 4.232 5.499 . 0 0 "[ . 1 . 2]" 1
516 1 22 LYS H 1 22 LYS QB 2.501 . 3.283 2.635 2.278 2.906 . 0 0 "[ . 1 . 2]" 1
517 1 31 LEU QD 1 32 SER H 3.023 . 4.166 2.966 2.058 3.337 . 0 0 "[ . 1 . 2]" 1
518 1 28 GLU QG 1 45 ASN HD21 2.939 . 6.000 4.897 4.536 5.572 . 0 0 "[ . 1 . 2]" 1
519 1 4 GLU HG2 1 42 TRP HZ3 3.210 . 4.498 3.427 2.864 3.981 . 0 0 "[ . 1 . 2]" 1
520 1 28 GLU H 1 28 GLU QG 2.757 . 6.000 4.138 4.073 4.178 . 0 0 "[ . 1 . 2]" 1
521 1 28 GLU H 1 29 HIS QB 3.259 . 4.587 4.394 4.298 4.510 . 0 0 "[ . 1 . 2]" 1
522 1 39 PHE HB2 1 39 PHE QD 2.274 . 2.921 2.161 2.092 2.219 . 0 0 "[ . 1 . 2]" 1
523 1 1 LYS QE 1 42 TRP HE3 2.685 . 6.000 5.666 4.832 6.131 0.131 16 0 "[ . 1 . 2]" 1
524 1 11 LYS QD 1 42 TRP HE3 2.692 . 6.000 4.756 3.996 5.384 . 0 0 "[ . 1 . 2]" 1
525 1 36 ARG QB 1 39 PHE QD 3.126 . 4.348 2.809 2.038 3.277 . 0 0 "[ . 1 . 2]" 1
526 1 18 GLY HA3 1 19 ASN H 2.828 . 3.828 2.708 2.609 2.796 . 0 0 "[ . 1 . 2]" 1
527 1 21 ASN QD 1 34 ARG H 3.468 . 4.971 3.527 2.905 4.841 . 0 0 "[ . 1 . 2]" 1
528 1 33 GLY H 1 43 CYS HA 2.241 . 2.869 2.023 1.905 2.089 . 0 0 "[ . 1 . 2]" 1
529 1 2 THR HA 1 3 CYS H 1.962 . 2.443 2.124 2.099 2.146 . 0 0 "[ . 1 . 2]" 1
530 1 3 CYS HA 1 3 CYS HB3 2.548 . 3.360 2.306 2.255 2.369 . 0 0 "[ . 1 . 2]" 1
531 1 36 ARG HA 1 36 ARG QB 2.449 . 3.199 2.182 2.115 2.366 . 0 0 "[ . 1 . 2]" 1
532 1 6 LEU QD 1 34 ARG QB 2.571 . 6.000 3.488 3.429 3.539 . 0 0 "[ . 1 . 2]" 1
533 1 6 LEU HG 1 34 ARG QB 2.828 . 6.000 4.815 4.692 4.929 . 0 0 "[ . 1 . 2]" 1
534 1 30 LEU QD 1 33 GLY H 3.151 . 4.392 3.571 3.038 3.767 . 0 0 "[ . 1 . 2]" 1
535 1 3 CYS HB2 1 47 CYS QB 3.099 . 4.299 2.207 1.690 2.652 0.209 20 0 "[ . 1 . 2]" 1
536 1 30 LEU HB2 1 32 SER H 2.814 . 3.804 3.585 3.418 3.736 . 0 0 "[ . 1 . 2]" 1
537 1 21 ASN HA 1 25 ARG HG3 2.697 . 3.606 2.990 2.619 3.267 . 0 0 "[ . 1 . 2]" 1
538 1 25 ARG QG 1 32 SER HA 2.624 . 6.000 5.224 4.794 6.086 0.086 12 0 "[ . 1 . 2]" 1
539 1 25 ARG HB3 1 25 ARG QG 2.066 . 2.600 2.306 2.145 2.381 . 0 0 "[ . 1 . 2]" 1
540 1 1 LYS QD 1 1 LYS HG3 1.910 . 2.366 1.864 1.834 1.882 . 0 0 "[ . 1 . 2]" 1
541 1 22 LYS HA 1 22 LYS QG 3.121 . 4.338 3.275 3.185 3.334 . 0 0 "[ . 1 . 2]" 1
542 1 5 ASN HB2 1 11 LYS QB 3.115 . 4.328 2.560 1.854 4.527 0.199 12 0 "[ . 1 . 2]" 1
543 1 22 LYS QD 1 22 LYS QG 1.853 . 2.282 2.061 2.004 2.095 . 0 0 "[ . 1 . 2]" 1
544 1 22 LYS QB 1 22 LYS QG 2.148 . 2.725 2.088 2.079 2.094 . 0 0 "[ . 1 . 2]" 1
545 1 1 LYS QB 1 31 LEU HB2 2.242 . 6.000 5.779 5.173 6.214 0.214 10 0 "[ . 1 . 2]" 1
546 1 34 ARG H 1 34 ARG QB 2.912 . 3.972 2.193 1.903 2.665 . 0 0 "[ . 1 . 2]" 1
547 1 22 LYS HB3 1 22 LYS QD 2.280 . 2.930 2.486 2.298 2.866 . 0 0 "[ . 1 . 2]" 1
548 1 19 ASN QB 1 22 LYS HD2 2.382 . 3.091 2.049 1.862 2.118 . 0 0 "[ . 1 . 2]" 1
549 1 28 GLU QG 1 30 LEU QD 2.999 . 4.124 1.865 1.716 2.287 0.158 17 0 "[ . 1 . 2]" 1
550 1 1 LYS QB 1 1 LYS HG3 2.271 . 2.916 2.336 2.268 2.389 . 0 0 "[ . 1 . 2]" 1
551 1 1 LYS QB 1 1 LYS HD2 2.275 . 2.922 2.395 2.121 2.881 . 0 0 "[ . 1 . 2]" 1
552 1 28 GLU HB3 1 28 GLU QG 2.430 . 3.168 2.189 2.154 2.325 . 0 0 "[ . 1 . 2]" 1
553 1 1 LYS QB 1 1 LYS HE2 3.126 . 4.347 3.101 1.998 3.814 . 0 0 "[ . 1 . 2]" 1
554 1 13 PRO QD 1 13 PRO HG3 3.117 . 4.331 2.204 2.174 2.245 . 0 0 "[ . 1 . 2]" 1
555 1 12 GLY HA3 1 13 PRO HG3 3.096 . 4.294 4.468 4.275 4.727 0.433 2 0 "[ . 1 . 2]" 1
556 1 22 LYS HB3 1 26 ASN HD22 2.899 . 3.949 3.524 3.014 3.975 0.026 17 0 "[ . 1 . 2]" 1
557 1 1 LYS QB 1 4 GLU H 2.987 . 6.000 5.526 4.674 6.063 0.063 5 0 "[ . 1 . 2]" 1
558 1 11 LYS QD 1 12 GLY H 3.221 . 6.000 4.393 3.777 5.033 . 0 0 "[ . 1 . 2]" 1
559 1 15 ILE HB 1 19 ASN H 3.000 . 6.000 5.285 4.593 5.753 . 0 0 "[ . 1 . 2]" 1
560 1 4 GLU HG3 1 30 LEU QD 2.481 . 6.000 5.070 4.750 5.529 . 0 0 "[ . 1 . 2]" 1
561 1 13 PRO QB 1 37 ASP QB 2.623 . 3.483 2.911 2.224 3.440 . 0 0 "[ . 1 . 2]" 1
562 1 24 CYS HA 1 28 GLU QB 2.807 . 3.792 3.089 2.907 3.234 . 0 0 "[ . 1 . 2]" 1
563 1 21 ASN HB2 1 24 CYS HB2 2.235 . 6.000 5.888 5.114 6.283 0.283 19 0 "[ . 1 . 2]" 1
564 1 38 ASP HA 1 38 ASP QB 2.241 . 2.869 2.355 2.170 2.404 . 0 0 "[ . 1 . 2]" 1
565 1 20 CYS HB2 1 21 ASN HA 2.927 . 3.998 3.371 2.975 3.598 . 0 0 "[ . 1 . 2]" 1
566 1 18 GLY HA3 1 38 ASP QB 2.353 . 6.000 5.831 4.833 6.174 0.174 5 0 "[ . 1 . 2]" 1
567 1 38 ASP QB 1 39 PHE H 2.871 . 3.901 2.508 2.207 2.896 . 0 0 "[ . 1 . 2]" 1
568 1 5 ASN HB2 1 11 LYS QD 3.046 . 4.206 2.329 1.798 3.624 0.088 6 0 "[ . 1 . 2]" 1
569 1 26 ASN HB2 1 26 ASN HD21 2.646 . 3.521 2.221 2.012 2.711 . 0 0 "[ . 1 . 2]" 1
570 1 4 GLU HG3 1 42 TRP HB3 3.015 . 4.151 2.287 1.854 2.588 0.025 13 0 "[ . 1 . 2]" 1
571 1 22 LYS QE 1 22 LYS QG 2.669 . 3.559 2.215 2.105 2.348 . 0 0 "[ . 1 . 2]" 1
572 1 22 LYS QD 1 22 LYS HE2 2.224 . 2.843 2.123 2.109 2.134 . 0 0 "[ . 1 . 2]" 1
573 1 1 LYS QE 1 1 LYS HG2 2.381 . 3.089 2.086 1.966 2.304 . 0 0 "[ . 1 . 2]" 1
574 1 21 ASN HB2 1 22 LYS QE 3.165 . 4.417 2.503 1.913 3.239 0.000 9 0 "[ . 1 . 2]" 1
575 1 33 GLY H 1 43 CYS QB 2.791 . 3.765 3.304 2.545 3.498 . 0 0 "[ . 1 . 2]" 1
576 1 25 ARG QD 1 30 LEU QD 2.337 . 6.000 4.240 3.671 4.759 . 0 0 "[ . 1 . 2]" 1
577 1 7 SER HB2 1 34 ARG QB 2.923 . 6.000 5.023 4.333 5.738 . 0 0 "[ . 1 . 2]" 1
578 1 25 ARG HA 1 29 HIS HB3 2.562 . 6.000 4.223 4.152 4.304 . 0 0 "[ . 1 . 2]" 1
579 1 7 SER HB2 1 37 ASP HA 2.664 . 6.000 4.311 3.474 5.935 . 0 0 "[ . 1 . 2]" 1
580 1 15 ILE HB 1 16 PRO HD2 2.768 . 3.726 2.486 2.219 2.766 . 0 0 "[ . 1 . 2]" 1
581 1 22 LYS HA 1 22 LYS QB 2.268 . 2.911 2.157 2.130 2.180 . 0 0 "[ . 1 . 2]" 1
582 1 22 LYS HA 1 22 LYS QG 2.615 . 3.470 3.099 2.630 3.277 . 0 0 "[ . 1 . 2]" 1
583 1 7 SER HB3 1 11 LYS QD 2.813 . 3.802 3.485 2.989 3.723 . 0 0 "[ . 1 . 2]" 1
584 1 24 CYS HA 1 26 ASN H 2.884 . 3.924 3.763 3.353 4.083 0.159 10 0 "[ . 1 . 2]" 1
585 1 1 LYS HA 1 1 LYS QG 2.474 . 3.239 3.016 2.299 3.342 0.103 1 0 "[ . 1 . 2]" 1
586 1 1 LYS HA 1 1 LYS QB 2.508 . 3.295 2.259 2.175 2.462 . 0 0 "[ . 1 . 2]" 1
587 1 25 ARG HA 1 27 ASN H 2.612 . 6.000 4.309 4.188 4.469 . 0 0 "[ . 1 . 2]" 1
588 1 24 CYS HA 1 25 ARG HA 2.297 . 6.000 4.430 4.409 4.469 . 0 0 "[ . 1 . 2]" 1
589 1 28 GLU HA 1 28 GLU QG 2.415 . 3.144 2.705 2.264 2.922 . 0 0 "[ . 1 . 2]" 1
590 1 3 CYS HA 1 5 ASN H 2.863 . 6.000 4.984 4.908 5.081 . 0 0 "[ . 1 . 2]" 1
591 1 38 ASP H 1 38 ASP QB 2.718 . 3.641 2.418 2.224 3.194 . 0 0 "[ . 1 . 2]" 1
592 1 34 ARG QB 1 36 ARG H 2.911 . 6.000 4.841 4.566 5.044 . 0 0 "[ . 1 . 2]" 1
593 1 28 GLU QG 1 45 ASN HD22 3.218 . 4.513 4.480 4.035 4.623 0.110 9 0 "[ . 1 . 2]" 1
594 1 10 PHE H 1 11 LYS QD 3.153 . 6.000 4.297 3.956 4.537 . 0 0 "[ . 1 . 2]" 1
595 1 22 LYS HA 1 22 LYS QD 3.152 . 4.394 4.292 4.192 4.462 0.068 12 0 "[ . 1 . 2]" 1
596 1 37 ASP QB 1 38 ASP H 2.670 . 3.561 2.355 1.875 3.871 0.310 19 0 "[ . 1 . 2]" 1
597 1 7 SER HB2 1 34 ARG QB 3.095 . 4.293 4.120 3.898 4.316 0.023 1 0 "[ . 1 . 2]" 1
598 1 36 ARG QB 1 36 ARG QD 2.799 . 3.778 1.957 1.867 2.076 . 0 0 "[ . 1 . 2]" 1
599 1 25 ARG QD 1 31 LEU HG 3.077 . 6.000 5.645 5.374 5.946 . 0 0 "[ . 1 . 2]" 1
600 1 9 THR H 1 14 CYS HB2 3.232 . 6.000 5.532 5.008 6.006 0.006 6 0 "[ . 1 . 2]" 1
601 1 20 CYS H 1 33 GLY HA3 3.288 . 6.000 6.134 5.932 6.764 0.764 11 1 "[ . 1+ . 2]" 1
602 1 20 CYS HB2 1 40 ARG HA 3.249 . 4.569 4.332 4.056 4.547 . 0 0 "[ . 1 . 2]" 1
603 1 18 GLY H 1 36 ARG H 3.070 . 6.000 6.082 5.775 6.423 0.423 9 0 "[ . 1 . 2]" 1
604 1 22 LYS QB 1 26 ASN HD22 3.186 . 4.455 2.997 2.391 3.577 . 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 22
_Distance_constraint_stats_list.Viol_count 258
_Distance_constraint_stats_list.Viol_total 358.568
_Distance_constraint_stats_list.Viol_max 0.340
_Distance_constraint_stats_list.Viol_rms 0.0615
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0407
_Distance_constraint_stats_list.Viol_average_violations_only 0.0695
_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 3 CYS 4.039 0.213 4 0 "[ . 1 . 2]"
1 5 ASN 1.109 0.085 8 0 "[ . 1 . 2]"
1 7 SER 1.778 0.156 17 0 "[ . 1 . 2]"
1 20 CYS 1.291 0.140 16 0 "[ . 1 . 2]"
1 21 ASN 0.004 0.004 20 0 "[ . 1 . 2]"
1 22 LYS 0.314 0.064 20 0 "[ . 1 . 2]"
1 23 HIS 0.507 0.078 15 0 "[ . 1 . 2]"
1 24 CYS 1.291 0.140 16 0 "[ . 1 . 2]"
1 25 ARG 0.004 0.004 20 0 "[ . 1 . 2]"
1 26 ASN 0.314 0.064 20 0 "[ . 1 . 2]"
1 27 ASN 0.507 0.078 15 0 "[ . 1 . 2]"
1 32 SER 4.484 0.239 10 0 "[ . 1 . 2]"
1 34 ARG 4.404 0.340 12 0 "[ . 1 . 2]"
1 41 CYS 1.778 0.156 17 0 "[ . 1 . 2]"
1 42 TRP 4.404 0.340 12 0 "[ . 1 . 2]"
1 43 CYS 1.109 0.085 8 0 "[ . 1 . 2]"
1 44 THR 4.484 0.239 10 0 "[ . 1 . 2]"
1 45 ASN 4.039 0.213 4 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 20 CYS O 1 24 CYS H 1.800 . 2.300 2.332 2.217 2.440 0.140 16 0 "[ . 1 . 2]" 2
2 1 20 CYS O 1 24 CYS N 2.800 2.800 3.300 3.294 3.197 3.369 0.069 9 0 "[ . 1 . 2]" 2
3 1 21 ASN O 1 25 ARG H 1.800 . 2.300 2.077 1.864 2.304 0.004 20 0 "[ . 1 . 2]" 2
4 1 21 ASN O 1 25 ARG N 2.800 2.800 3.300 2.982 2.805 3.277 . 0 0 "[ . 1 . 2]" 2
5 1 22 LYS O 1 26 ASN H 1.800 . 2.300 1.948 1.824 2.143 . 0 0 "[ . 1 . 2]" 2
6 1 22 LYS O 1 26 ASN N 2.800 2.800 3.300 2.810 2.736 2.980 0.064 20 0 "[ . 1 . 2]" 2
7 1 23 HIS O 1 27 ASN H 1.800 . 2.300 2.231 2.027 2.378 0.078 15 0 "[ . 1 . 2]" 2
8 1 23 HIS O 1 27 ASN N 2.800 2.800 3.300 3.141 2.944 3.330 0.030 14 0 "[ . 1 . 2]" 2
9 1 3 CYS H 1 45 ASN O 1.800 . 2.300 2.444 2.372 2.513 0.213 4 0 "[ . 1 . 2]" 2
10 1 3 CYS N 1 45 ASN O 2.800 2.800 3.300 2.798 2.751 2.956 0.049 7 0 "[ . 1 . 2]" 2
11 1 3 CYS O 1 45 ASN H 1.800 . 2.300 1.802 1.769 1.889 0.031 7 0 "[ . 1 . 2]" 2
12 1 3 CYS O 1 45 ASN N 2.800 2.800 3.300 2.779 2.735 2.866 0.065 7 0 "[ . 1 . 2]" 2
13 1 5 ASN O 1 43 CYS H 1.800 . 2.300 2.200 1.980 2.320 0.020 10 0 "[ . 1 . 2]" 2
14 1 5 ASN O 1 43 CYS N 2.800 2.800 3.300 2.916 2.785 3.030 0.015 3 0 "[ . 1 . 2]" 2
15 1 5 ASN H 1 43 CYS O 1.800 . 2.300 2.328 2.163 2.385 0.085 8 0 "[ . 1 . 2]" 2
16 1 5 ASN N 1 43 CYS O 2.800 2.800 3.300 3.289 3.140 3.342 0.042 10 0 "[ . 1 . 2]" 2
17 1 7 SER H 1 41 CYS O 1.800 . 2.300 1.810 1.717 2.343 0.083 17 0 "[ . 1 . 2]" 2
18 1 7 SER N 1 41 CYS O 2.800 2.800 3.300 2.760 2.644 3.248 0.156 17 0 "[ . 1 . 2]" 2
19 1 32 SER H 1 44 THR O 1.800 . 2.300 2.454 2.413 2.539 0.239 10 0 "[ . 1 . 2]" 2
20 1 32 SER N 1 44 THR O 2.800 2.800 3.300 3.370 3.333 3.452 0.152 10 0 "[ . 1 . 2]" 2
21 1 34 ARG H 1 42 TRP O 1.800 . 2.300 2.494 2.341 2.640 0.340 12 0 "[ . 1 . 2]" 2
22 1 34 ARG N 1 42 TRP O 2.800 2.800 3.300 3.293 3.170 3.410 0.110 12 0 "[ . 1 . 2]" 2
stop_
save_
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