NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
650317 |
6sab   |
34418 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6sab
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 744
_Distance_constraint_stats_list.Viol_count 502
_Distance_constraint_stats_list.Viol_total 499.717
_Distance_constraint_stats_list.Viol_max 0.899
_Distance_constraint_stats_list.Viol_rms 0.0373
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0995
_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 GLN 0.640 0.207 2 0 "[ . 1]"
1 2 MET 3.226 0.264 4 0 "[ . 1]"
1 3 ASP 2.067 0.239 1 0 "[ . 1]"
1 4 MET 2.780 0.380 3 0 "[ . 1]"
1 5 ARG 5.116 0.505 10 1 "[ . +]"
1 6 CYS 6.372 0.505 10 1 "[ . +]"
1 7 SER 3.589 0.472 2 0 "[ . 1]"
1 8 ALA 6.968 0.472 2 0 "[ . 1]"
1 9 SER 1.065 0.246 5 0 "[ . 1]"
1 10 VAL 1.326 0.265 9 0 "[ . 1]"
1 11 GLU 4.103 0.412 2 0 "[ . 1]"
1 12 CYS 2.030 0.569 4 1 "[ +. 1]"
1 13 LYS 4.909 0.263 10 0 "[ . 1]"
1 14 GLN 2.651 0.612 9 1 "[ . +1]"
1 15 LYS 6.923 0.899 2 2 "[ + . - 1]"
1 16 CYS 1.805 0.341 2 0 "[ . 1]"
1 17 LEU 2.428 0.263 10 0 "[ . 1]"
1 18 LYS 1.319 0.612 9 1 "[ . +1]"
1 19 ALA 1.222 0.241 8 0 "[ . 1]"
1 20 ILE 0.999 0.131 3 0 "[ . 1]"
1 21 GLY 0.013 0.013 2 0 "[ . 1]"
1 22 SER 1.496 0.174 2 0 "[ . 1]"
1 23 ILE 4.087 0.612 9 1 "[ . +1]"
1 24 PHE 5.331 0.263 10 0 "[ . 1]"
1 25 GLY 2.892 0.231 7 0 "[ . 1]"
1 26 LYS 4.106 0.393 2 0 "[ . 1]"
1 27 CYS 2.445 0.569 4 1 "[ +. 1]"
1 28 MET 2.475 0.393 2 0 "[ . 1]"
1 29 ASN 2.563 0.305 6 0 "[ . 1]"
1 30 LYS 1.809 0.305 6 0 "[ . 1]"
1 31 LYS 7.261 0.899 2 2 "[ + . - 1]"
1 32 CYS 1.481 0.137 4 0 "[ . 1]"
1 33 LYS 2.148 0.336 6 0 "[ . 1]"
1 34 CYS 2.762 0.475 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 CYS H 1 32 CYS H 3.961 . 5.922 5.747 4.960 5.983 0.061 7 0 "[ . 1]" 1
2 1 13 LYS H 1 16 CYS H 3.586 . 5.193 3.645 3.454 3.848 . 0 0 "[ . 1]" 1
3 1 10 VAL H 1 12 CYS H 4.470 . 6.968 3.802 3.004 4.468 . 0 0 "[ . 1]" 1
4 1 15 LYS H 1 16 CYS H 2.355 . 3.048 2.256 2.133 2.359 . 0 0 "[ . 1]" 1
5 1 27 CYS HA 1 33 LYS H 3.619 . 5.256 4.046 3.856 4.201 . 0 0 "[ . 1]" 1
6 1 31 LYS HA 1 32 CYS H 2.251 . 2.884 2.677 2.588 2.757 . 0 0 "[ . 1]" 1
7 1 3 ASP HA 1 4 MET H 1.963 . 2.445 2.166 2.108 2.203 . 0 0 "[ . 1]" 1
8 1 26 LYS H 1 27 CYS HA 3.740 . 5.488 3.510 2.573 4.165 . 0 0 "[ . 1]" 1
9 1 4 MET HA 1 5 ARG H 2.371 . 3.074 2.534 2.363 2.700 . 0 0 "[ . 1]" 1
10 1 6 CYS H 1 8 ALA HA 3.581 . 5.184 5.341 5.211 5.449 0.265 3 0 "[ . 1]" 1
11 1 5 ARG HA 1 5 ARG HE 3.674 . 5.361 4.254 3.883 4.818 . 0 0 "[ . 1]" 1
12 1 12 CYS HA 1 15 LYS H 2.928 . 4.000 3.350 3.263 3.410 . 0 0 "[ . 1]" 1
13 1 13 LYS H 1 14 GLN HA 3.342 . 4.738 3.881 3.743 4.106 . 0 0 "[ . 1]" 1
14 1 14 GLN HA 1 15 LYS H 2.844 . 3.855 2.996 2.908 3.075 . 0 0 "[ . 1]" 1
15 1 15 LYS H 1 15 LYS HA 2.400 . 3.120 2.524 2.504 2.541 . 0 0 "[ . 1]" 1
16 1 9 SER QB 1 11 GLU H 3.725 . 5.460 5.060 4.593 5.301 . 0 0 "[ . 1]" 1
17 1 13 LYS HA 1 15 LYS H 4.096 . 6.193 4.162 4.023 4.334 . 0 0 "[ . 1]" 1
18 1 1 GLN QE 1 9 SER QB 3.393 . 4.832 4.490 3.437 4.727 . 0 0 "[ . 1]" 1
19 1 10 VAL HA 1 12 CYS H 3.744 . 5.496 3.875 3.599 4.109 . 0 0 "[ . 1]" 1
20 1 17 LEU HA 1 20 ILE H 3.369 . 4.787 3.754 3.451 3.982 . 0 0 "[ . 1]" 1
21 1 17 LEU HA 1 18 LYS H 2.173 . 2.763 2.739 2.714 2.763 . 0 0 "[ . 1]" 1
22 1 8 ALA H 1 9 SER QB 3.749 . 5.505 5.123 4.878 5.369 . 0 0 "[ . 1]" 1
23 1 9 SER QB 1 10 VAL H 2.855 . 3.874 3.500 2.773 3.852 . 0 0 "[ . 1]" 1
24 1 9 SER H 1 9 SER QB 2.773 . 3.734 3.142 3.014 3.403 . 0 0 "[ . 1]" 1
25 1 13 LYS HA 1 32 CYS H 4.620 . 7.289 6.447 6.291 6.554 . 0 0 "[ . 1]" 1
26 1 14 GLN HE21 1 15 LYS HA 4.098 . 6.197 5.834 5.140 6.105 . 0 0 "[ . 1]" 1
27 1 16 CYS QB 1 22 SER H 4.412 . 6.845 3.494 2.749 4.095 . 0 0 "[ . 1]" 1
28 1 13 LYS H 1 16 CYS QB 4.190 . 6.384 4.174 3.762 4.539 . 0 0 "[ . 1]" 1
29 1 6 CYS QB 1 7 SER H 3.043 . 4.200 3.727 2.813 3.972 . 0 0 "[ . 1]" 1
30 1 12 CYS HB3 1 33 LYS H 4.464 . 6.955 4.997 3.900 5.494 . 0 0 "[ . 1]" 1
31 1 3 ASP HB2 1 4 MET H 2.722 . 3.648 2.655 1.757 3.202 0.039 6 0 "[ . 1]" 1
32 1 2 MET QG 1 9 SER H 4.469 . 6.965 4.509 4.097 4.937 . 0 0 "[ . 1]" 1
33 1 2 MET H 1 2 MET QG 3.255 . 4.579 2.204 1.885 2.493 0.046 5 0 "[ . 1]" 1
34 1 12 CYS HB3 1 26 LYS H 3.181 . 4.446 3.980 3.689 4.394 . 0 0 "[ . 1]" 1
35 1 3 ASP HB2 1 5 ARG H 3.531 . 5.090 3.808 2.740 4.245 . 0 0 "[ . 1]" 1
36 1 2 MET QG 1 8 ALA H 3.793 . 5.591 4.962 4.086 5.377 . 0 0 "[ . 1]" 1
37 1 6 CYS H 1 11 GLU HG2 2.818 . 3.811 3.253 2.912 3.731 . 0 0 "[ . 1]" 1
38 1 6 CYS H 1 6 CYS QB 3.068 . 4.245 2.959 2.841 3.081 . 0 0 "[ . 1]" 1
39 1 5 ARG H 1 6 CYS QB 3.634 . 5.285 5.048 4.902 5.408 0.123 4 0 "[ . 1]" 1
40 1 6 CYS QB 1 31 LYS H 3.424 . 4.890 4.475 3.708 4.946 0.056 5 0 "[ . 1]" 1
41 1 15 LYS H 1 15 LYS QE 3.729 . 5.467 4.278 3.715 5.164 . 0 0 "[ . 1]" 1
42 1 13 LYS QE 1 24 PHE QE 3.599 . 5.218 5.230 5.010 5.316 0.098 8 0 "[ . 1]" 1
43 1 13 LYS QE 1 24 PHE QD 3.564 . 5.152 4.870 4.505 5.184 0.032 6 0 "[ . 1]" 1
44 1 12 CYS HB3 1 13 LYS H 3.793 . 5.592 3.824 3.357 4.222 . 0 0 "[ . 1]" 1
45 1 20 ILE H 1 34 CYS HB2 3.678 . 5.369 3.443 3.046 4.207 . 0 0 "[ . 1]" 1
46 1 15 LYS H 1 32 CYS HB3 4.498 . 7.027 5.411 5.051 5.685 . 0 0 "[ . 1]" 1
47 1 1 GLN QE 1 1 GLN QG 4.053 . 6.106 2.325 2.121 2.692 . 0 0 "[ . 1]" 1
48 1 12 CYS H 1 14 GLN HG2 4.217 . 6.439 5.760 5.124 6.388 . 0 0 "[ . 1]" 1
49 1 14 GLN HE21 1 18 LYS HB2 4.273 . 6.555 5.411 4.386 6.273 . 0 0 "[ . 1]" 1
50 1 13 LYS QB 1 24 PHE QD 4.251 . 6.510 6.591 6.506 6.655 0.145 1 0 "[ . 1]" 1
51 1 14 GLN QB 1 15 LYS H 2.600 . 3.445 2.635 2.526 2.753 . 0 0 "[ . 1]" 1
52 1 20 ILE H 1 20 ILE HB 2.953 . 4.043 3.452 3.321 3.566 . 0 0 "[ . 1]" 1
53 1 4 MET QB 1 6 CYS H 3.498 . 5.027 4.191 3.806 4.936 . 0 0 "[ . 1]" 1
54 1 13 LYS H 1 14 GLN QB 3.517 . 5.063 4.106 3.849 4.352 . 0 0 "[ . 1]" 1
55 1 14 GLN H 1 14 GLN QB 1.940 . 2.410 2.348 2.167 2.440 0.030 4 0 "[ . 1]" 1
56 1 14 GLN QB 1 16 CYS H 3.454 . 4.945 4.667 4.515 4.865 . 0 0 "[ . 1]" 1
57 1 1 GLN QB 1 3 ASP H 3.745 . 5.498 5.411 4.933 5.705 0.207 2 0 "[ . 1]" 1
58 1 2 MET QB 1 3 ASP H 2.620 . 3.478 2.866 2.196 3.717 0.239 1 0 "[ . 1]" 1
59 1 2 MET QB 1 10 VAL H 4.000 . 6.000 5.237 4.538 6.066 0.066 8 0 "[ . 1]" 1
60 1 1 GLN QB 1 2 MET H 3.415 . 4.872 2.550 1.894 3.804 0.064 8 0 "[ . 1]" 1
61 1 2 MET H 1 2 MET QB 2.765 . 3.721 2.730 2.245 3.364 . 0 0 "[ . 1]" 1
62 1 26 LYS HD3 1 33 LYS H 3.902 . 5.805 4.620 3.863 5.349 . 0 0 "[ . 1]" 1
63 1 15 LYS HD2 1 32 CYS H 3.066 . 4.241 3.974 3.407 4.345 0.104 7 0 "[ . 1]" 1
64 1 26 LYS QB 1 27 CYS H 2.948 . 4.034 3.182 3.046 3.563 . 0 0 "[ . 1]" 1
65 1 26 LYS QD 1 27 CYS H 2.873 . 3.905 3.815 3.613 4.048 0.143 3 0 "[ . 1]" 1
66 1 26 LYS HD3 1 28 MET H 3.815 . 5.635 5.725 5.528 5.879 0.244 10 0 "[ . 1]" 1
67 1 26 LYS QB 1 28 MET H 3.815 . 5.635 4.943 4.503 5.270 . 0 0 "[ . 1]" 1
68 1 4 MET H 1 5 ARG QG 3.419 . 4.880 4.340 3.642 4.786 . 0 0 "[ . 1]" 1
69 1 15 LYS QD 1 16 CYS H 3.750 . 5.507 3.874 3.672 4.118 . 0 0 "[ . 1]" 1
70 1 30 LYS H 1 30 LYS HD3 3.583 . 5.188 4.339 3.065 4.920 . 0 0 "[ . 1]" 1
71 1 30 LYS H 1 30 LYS HD2 3.710 . 5.430 5.015 4.528 5.349 . 0 0 "[ . 1]" 1
72 1 26 LYS H 1 26 LYS QB 2.804 . 3.787 2.526 2.432 2.649 . 0 0 "[ . 1]" 1
73 1 18 LYS QB 1 19 ALA H 2.256 . 2.892 2.795 2.616 2.898 0.006 8 0 "[ . 1]" 1
74 1 13 LYS QB 1 25 GLY H 3.957 . 5.914 5.167 5.070 5.251 . 0 0 "[ . 1]" 1
75 1 5 ARG H 1 5 ARG QG 2.303 . 2.966 2.454 1.899 3.068 0.102 8 0 "[ . 1]" 1
76 1 5 ARG QB 1 6 CYS H 3.257 . 4.583 3.533 3.482 3.580 . 0 0 "[ . 1]" 1
77 1 5 ARG QB 1 6 CYS H 2.855 . 3.874 3.715 3.677 3.780 . 0 0 "[ . 1]" 1
78 1 13 LYS QB 1 14 GLN H 2.258 . 2.895 2.338 2.103 2.673 . 0 0 "[ . 1]" 1
79 1 18 LYS H 1 18 LYS QB 2.005 . 2.508 2.417 2.336 2.475 . 0 0 "[ . 1]" 1
80 1 13 LYS H 1 13 LYS QB 2.650 . 3.528 2.677 2.517 2.807 . 0 0 "[ . 1]" 1
81 1 5 ARG QG 1 6 CYS H 3.016 . 4.153 3.865 3.624 4.120 . 0 0 "[ . 1]" 1
82 1 5 ARG HE 1 5 ARG QG 2.536 . 3.340 2.474 2.391 2.590 . 0 0 "[ . 1]" 1
83 1 31 LYS H 1 31 LYS QD 2.984 . 4.097 2.756 2.313 4.074 . 0 0 "[ . 1]" 1
84 1 31 LYS H 1 31 LYS QB 2.810 . 3.797 2.578 2.387 3.169 . 0 0 "[ . 1]" 1
85 1 14 GLN HE22 1 18 LYS HB3 4.202 . 6.410 6.131 5.327 7.022 0.612 9 1 "[ . +1]" 1
86 1 11 GLU H 1 13 LYS HB2 4.157 . 6.317 3.976 2.128 5.038 . 0 0 "[ . 1]" 1
87 1 13 LYS QD 1 24 PHE QD 3.615 . 5.248 4.845 4.508 4.995 . 0 0 "[ . 1]" 1
88 1 13 LYS QD 1 24 PHE QE 3.648 . 5.312 5.310 4.983 5.406 0.094 1 0 "[ . 1]" 1
89 1 11 GLU H 1 13 LYS QD 3.746 . 5.500 5.115 4.149 5.549 0.049 6 0 "[ . 1]" 1
90 1 17 LEU HG 1 22 SER H 4.151 . 6.304 3.549 3.248 4.295 . 0 0 "[ . 1]" 1
91 1 13 LYS HG3 1 24 PHE QD 4.293 . 6.597 6.252 5.891 6.612 0.015 10 0 "[ . 1]" 1
92 1 13 LYS HG3 1 24 PHE QE 4.429 . 6.881 6.812 6.442 7.144 0.263 10 0 "[ . 1]" 1
93 1 24 PHE QD 1 26 LYS QG 4.547 . 7.131 6.727 6.328 7.134 0.003 3 0 "[ . 1]" 1
94 1 15 LYS H 1 15 LYS HG2 3.218 . 4.513 3.415 2.472 3.825 . 0 0 "[ . 1]" 1
95 1 31 LYS H 1 31 LYS QG 3.218 . 4.512 3.626 2.291 3.989 . 0 0 "[ . 1]" 1
96 1 13 LYS QD 1 25 GLY H 3.330 . 4.716 3.644 3.173 3.982 . 0 0 "[ . 1]" 1
97 1 8 ALA H 1 31 LYS QD 4.342 . 6.699 6.401 4.831 6.833 0.134 8 0 "[ . 1]" 1
98 1 6 CYS H 1 8 ALA MB 3.387 . 4.821 3.793 3.310 4.108 . 0 0 "[ . 1]" 1
99 1 6 CYS H 1 31 LYS QG 3.935 . 5.870 4.333 3.096 4.987 . 0 0 "[ . 1]" 1
100 1 13 LYS HG3 1 25 GLY H 3.911 . 5.823 5.827 5.681 5.979 0.156 2 0 "[ . 1]" 1
101 1 5 ARG H 1 31 LYS QG 4.084 . 6.169 5.920 5.417 6.222 0.053 3 0 "[ . 1]" 1
102 1 26 LYS H 1 33 LYS QG 4.073 . 6.147 4.323 3.292 5.041 . 0 0 "[ . 1]" 1
103 1 26 LYS H 1 26 LYS QG 2.837 . 3.843 2.655 2.415 2.838 . 0 0 "[ . 1]" 1
104 1 30 LYS H 1 30 LYS QG 2.443 . 3.189 2.981 2.902 3.033 . 0 0 "[ . 1]" 1
105 1 33 LYS QG 1 34 CYS H 3.040 . 4.195 3.356 2.462 4.256 0.061 5 0 "[ . 1]" 1
106 1 15 LYS HG2 1 16 CYS H 3.326 . 4.709 4.110 3.895 4.219 . 0 0 "[ . 1]" 1
107 1 15 LYS HG3 1 28 MET H 3.943 . 5.887 4.712 3.652 5.905 0.018 4 0 "[ . 1]" 1
108 1 28 MET H 1 31 LYS QG 4.131 . 6.264 5.984 5.280 6.213 . 0 0 "[ . 1]" 1
109 1 4 MET H 1 31 LYS QG 4.118 . 6.238 6.216 5.879 6.445 0.207 4 0 "[ . 1]" 1
110 1 26 LYS QG 1 27 CYS H 3.356 . 4.764 4.701 4.619 4.788 0.024 3 0 "[ . 1]" 1
111 1 31 LYS QG 1 32 CYS H 3.289 . 4.641 3.422 2.690 3.622 . 0 0 "[ . 1]" 1
112 1 26 LYS QG 1 33 LYS H 4.073 . 6.146 4.417 4.052 4.886 . 0 0 "[ . 1]" 1
113 1 29 ASN H 1 30 LYS QG 4.206 . 6.417 4.970 4.623 5.220 . 0 0 "[ . 1]" 1
114 1 33 LYS H 1 33 LYS QG 3.686 . 5.385 2.965 2.100 3.833 . 0 0 "[ . 1]" 1
115 1 16 CYS H 1 20 ILE MD 4.454 . 6.933 6.400 6.166 6.578 . 0 0 "[ . 1]" 1
116 1 16 CYS H 1 17 LEU QD 4.027 . 6.054 4.871 4.681 5.114 . 0 0 "[ . 1]" 1
117 1 20 ILE MD 1 34 CYS H 3.730 . 5.469 3.898 3.106 4.129 . 0 0 "[ . 1]" 1
118 1 19 ALA H 1 20 ILE MD 3.440 . 4.919 4.752 4.691 4.838 . 0 0 "[ . 1]" 1
119 1 20 ILE MD 1 21 GLY H 3.285 . 4.634 3.825 3.570 4.131 . 0 0 "[ . 1]" 1
120 1 17 LEU QD 1 18 LYS H 3.203 . 4.486 3.600 3.390 3.890 . 0 0 "[ . 1]" 1
121 1 17 LEU H 1 20 ILE MD 4.367 . 6.751 6.098 5.929 6.332 . 0 0 "[ . 1]" 1
122 1 17 LEU H 1 17 LEU QD 3.394 . 4.834 3.491 3.185 3.617 . 0 0 "[ . 1]" 1
123 1 14 GLN HE22 1 17 LEU QD 4.084 . 6.169 2.935 2.039 3.973 . 0 0 "[ . 1]" 1
124 1 17 LEU QD 1 22 SER H 3.683 . 5.379 3.422 2.697 4.205 . 0 0 "[ . 1]" 1
125 1 14 GLN HE21 1 17 LEU QD 4.076 . 6.153 3.307 2.467 4.814 . 0 0 "[ . 1]" 1
126 1 5 ARG HA 1 31 LYS HA 3.421 . 4.884 3.988 2.985 4.410 . 0 0 "[ . 1]" 1
127 1 22 SER HA 1 23 ILE HA 4.169 . 6.342 3.955 3.931 3.996 . 0 0 "[ . 1]" 1
128 1 13 LYS HA 1 24 PHE HA 4.015 . 6.031 4.086 3.983 4.170 . 0 0 "[ . 1]" 1
129 1 12 CYS HA 1 13 LYS HA 3.906 . 5.813 4.259 4.151 4.435 . 0 0 "[ . 1]" 1
130 1 16 CYS HA 1 22 SER QB 3.707 . 5.425 4.007 3.755 4.378 . 0 0 "[ . 1]" 1
131 1 16 CYS HA 1 34 CYS HB3 4.602 . 7.249 4.038 2.550 4.501 . 0 0 "[ . 1]" 1
132 1 16 CYS HA 1 16 CYS QB 3.315 . 4.689 2.229 2.082 2.406 . 0 0 "[ . 1]" 1
133 1 5 ARG HA 1 5 ARG HD3 3.739 . 5.486 3.636 3.228 4.173 . 0 0 "[ . 1]" 1
134 1 6 CYS QB 1 31 LYS HA 4.258 . 6.525 3.699 2.748 4.539 . 0 0 "[ . 1]" 1
135 1 5 ARG HA 1 6 CYS QB 3.901 . 5.803 3.857 3.588 4.024 . 0 0 "[ . 1]" 1
136 1 12 CYS HB3 1 31 LYS HA 5.789 . 9.978 5.676 5.452 5.993 . 0 0 "[ . 1]" 1
137 1 12 CYS HB2 1 31 LYS HA 4.804 . 7.688 6.185 4.750 6.410 . 0 0 "[ . 1]" 1
138 1 16 CYS QB 1 22 SER HA 5.889 . 10.225 4.275 3.991 5.206 . 0 0 "[ . 1]" 1
139 1 12 CYS HA 1 32 CYS HB3 3.173 . 4.431 2.356 2.074 2.763 . 0 0 "[ . 1]" 1
140 1 11 GLU HG3 1 31 LYS HA 3.632 . 5.281 4.139 3.634 4.549 . 0 0 "[ . 1]" 1
141 1 2 MET HA 1 2 MET QG 2.879 . 3.915 2.750 2.344 3.145 . 0 0 "[ . 1]" 1
142 1 9 SER QB 1 12 CYS HB3 6.369 . 11.439 7.765 6.848 8.143 . 0 0 "[ . 1]" 1
143 1 15 LYS HA 1 32 CYS HB3 4.195 . 6.395 5.983 5.290 6.365 . 0 0 "[ . 1]" 1
144 1 12 CYS HB3 1 25 GLY HA3 3.227 . 4.529 2.328 1.995 2.767 . 0 0 "[ . 1]" 1
145 1 22 SER QB 1 24 PHE HB2 3.494 . 5.020 3.267 2.032 3.801 . 0 0 "[ . 1]" 1
146 1 2 MET HA 1 2 MET QB 2.614 . 3.468 2.364 2.263 2.446 . 0 0 "[ . 1]" 1
147 1 5 ARG HA 1 5 ARG QB 2.368 . 3.069 2.018 1.933 2.121 . 0 0 "[ . 1]" 1
148 1 5 ARG QB 1 6 CYS HA 4.399 . 6.818 5.225 4.910 5.436 . 0 0 "[ . 1]" 1
149 1 5 ARG QG 1 6 CYS HA 4.044 . 6.088 5.661 5.065 6.278 0.190 5 0 "[ . 1]" 1
150 1 26 LYS QB 1 32 CYS HA 3.863 . 5.729 3.740 3.657 3.856 . 0 0 "[ . 1]" 1
151 1 31 LYS HA 1 31 LYS QD 2.835 . 3.840 2.761 2.084 3.155 . 0 0 "[ . 1]" 1
152 1 31 LYS HA 1 31 LYS QG 3.137 . 4.367 2.568 2.367 3.492 . 0 0 "[ . 1]" 1
153 1 15 LYS HG3 1 31 LYS HA 4.336 . 6.686 4.617 4.005 5.943 . 0 0 "[ . 1]" 1
154 1 33 LYS HA 1 33 LYS QG 2.739 . 3.677 2.792 2.562 3.290 . 0 0 "[ . 1]" 1
155 1 26 LYS HA 1 26 LYS QG 3.155 . 4.400 3.002 2.909 3.203 . 0 0 "[ . 1]" 1
156 1 5 ARG HA 1 30 LYS QG 3.694 . 5.400 3.848 2.649 4.989 . 0 0 "[ . 1]" 1
157 1 16 CYS HA 1 20 ILE MD 3.538 . 5.103 4.481 4.274 4.611 . 0 0 "[ . 1]" 1
158 1 20 ILE HA 1 20 ILE MD 3.760 . 5.528 3.548 3.375 3.662 . 0 0 "[ . 1]" 1
159 1 22 SER HA 1 23 ILE MD 3.768 . 5.543 4.649 4.456 4.726 . 0 0 "[ . 1]" 1
160 1 22 SER HA 1 23 ILE HG12 5.039 . 8.212 3.810 3.440 3.971 . 0 0 "[ . 1]" 1
161 1 11 GLU HA 1 13 LYS QB 3.194 . 4.469 4.340 3.948 4.606 0.137 8 0 "[ . 1]" 1
162 1 11 GLU HA 1 14 GLN QB 2.740 . 3.679 3.119 2.379 3.508 . 0 0 "[ . 1]" 1
163 1 11 GLU HA 1 15 LYS QE 4.057 . 6.115 4.649 3.829 5.462 . 0 0 "[ . 1]" 1
164 1 14 GLN HA 1 18 LYS QE 4.144 . 6.291 4.810 3.928 6.021 . 0 0 "[ . 1]" 1
165 1 15 LYS HA 1 15 LYS QE 3.053 . 4.218 3.219 2.117 3.876 . 0 0 "[ . 1]" 1
166 1 13 LYS HA 1 13 LYS QE 3.845 . 5.693 3.896 3.413 4.161 . 0 0 "[ . 1]" 1
167 1 6 CYS QB 1 30 LYS HA 3.316 . 4.690 3.139 1.930 4.730 0.040 4 0 "[ . 1]" 1
168 1 6 CYS QB 1 7 SER HB3 3.998 . 5.996 5.243 4.759 5.710 . 0 0 "[ . 1]" 1
169 1 2 MET QG 1 9 SER QB 2.172 . 2.762 2.864 2.779 3.008 0.246 5 0 "[ . 1]" 1
170 1 14 GLN HA 1 14 GLN QB 2.205 . 2.813 2.405 2.365 2.496 . 0 0 "[ . 1]" 1
171 1 9 SER QB 1 10 VAL HB 5.534 . 9.362 4.649 3.780 6.015 . 0 0 "[ . 1]" 1
172 1 1 GLN HA 1 1 GLN QB 2.618 . 3.474 2.376 2.172 2.488 . 0 0 "[ . 1]" 1
173 1 14 GLN QB 1 15 LYS HA 3.090 . 4.284 3.713 3.587 3.795 . 0 0 "[ . 1]" 1
174 1 10 VAL HA 1 10 VAL HB 1.976 . 2.464 2.371 2.357 2.388 . 0 0 "[ . 1]" 1
175 1 18 LYS QB 1 19 ALA HA 3.305 . 4.670 3.966 3.843 4.069 . 0 0 "[ . 1]" 1
176 1 13 LYS QB 1 14 GLN HA 3.570 . 5.163 3.729 3.638 3.865 . 0 0 "[ . 1]" 1
177 1 1 GLN HA 1 2 MET QB 3.659 . 5.333 4.633 4.419 5.251 . 0 0 "[ . 1]" 1
178 1 13 LYS HA 1 13 LYS QB 2.389 . 3.102 2.317 2.299 2.337 . 0 0 "[ . 1]" 1
179 1 18 LYS HA 1 18 LYS QB 2.178 . 2.771 2.374 2.347 2.412 . 0 0 "[ . 1]" 1
180 1 14 GLN HA 1 18 LYS HB2 4.405 . 6.831 5.356 5.029 5.598 . 0 0 "[ . 1]" 1
181 1 15 LYS HA 1 15 LYS HD3 2.463 . 3.221 2.357 1.886 2.619 . 0 0 "[ . 1]" 1
182 1 13 LYS HA 1 13 LYS QD 2.928 . 4.000 2.334 2.133 2.432 . 0 0 "[ . 1]" 1
183 1 30 LYS HA 1 30 LYS HD3 2.974 . 4.080 3.539 1.946 4.370 0.290 10 0 "[ . 1]" 1
184 1 15 LYS HA 1 15 LYS HG3 2.520 . 3.314 2.485 2.183 2.862 . 0 0 "[ . 1]" 1
185 1 7 SER HB2 1 8 ALA MB 3.484 . 5.001 4.256 4.013 4.478 . 0 0 "[ . 1]" 1
186 1 30 LYS HA 1 30 LYS QG 2.569 . 3.394 2.481 2.285 2.948 . 0 0 "[ . 1]" 1
187 1 15 LYS HA 1 31 LYS QG 3.427 . 4.895 4.949 4.539 5.072 0.177 2 0 "[ . 1]" 1
188 1 9 SER QB 1 10 VAL QG 3.477 . 4.612 3.305 2.137 4.003 . 0 0 "[ . 1]" 1
189 1 20 ILE MD 1 21 GLY HA2 3.859 . 5.720 5.227 5.063 5.438 . 0 0 "[ . 1]" 1
190 1 17 LEU HA 1 20 ILE MD 4.135 . 6.272 5.123 4.855 5.423 . 0 0 "[ . 1]" 1
191 1 17 LEU HA 1 20 ILE MD 3.786 . 5.578 4.614 4.345 4.891 . 0 0 "[ . 1]" 1
192 1 13 LYS HA 1 17 LEU QD 3.780 . 5.566 3.280 3.021 3.626 . 0 0 "[ . 1]" 1
193 1 14 GLN HA 1 17 LEU QD 3.122 . 4.340 3.061 2.706 3.655 . 0 0 "[ . 1]" 1
194 1 5 ARG HD3 1 5 ARG QG 2.477 . 3.244 2.292 2.170 2.367 . 0 0 "[ . 1]" 1
195 1 5 ARG HD2 1 5 ARG QG 2.215 . 2.828 2.227 2.173 2.356 . 0 0 "[ . 1]" 1
196 1 6 CYS HB2 1 11 GLU HB3 4.785 . 7.647 4.903 3.972 5.476 . 0 0 "[ . 1]" 1
197 1 11 GLU HB2 1 31 LYS QE 4.271 . 6.551 6.305 5.201 6.671 0.120 3 0 "[ . 1]" 1
198 1 13 LYS QB 1 13 LYS QE 4.208 . 6.422 3.597 1.978 3.878 0.016 6 0 "[ . 1]" 1
199 1 18 LYS QB 1 18 LYS QE 2.794 . 3.770 3.332 1.962 3.725 . 0 0 "[ . 1]" 1
200 1 18 LYS QD 1 18 LYS QE 2.140 . 2.712 2.032 1.999 2.092 . 0 0 "[ . 1]" 1
201 1 15 LYS QE 1 15 LYS HG3 2.808 . 3.794 2.351 2.084 2.755 . 0 0 "[ . 1]" 1
202 1 13 LYS QE 1 13 LYS HG3 3.266 . 4.599 2.370 2.149 2.722 . 0 0 "[ . 1]" 1
203 1 30 LYS HE2 1 30 LYS HG2 3.092 . 4.287 2.168 1.964 2.471 . 0 0 "[ . 1]" 1
204 1 26 LYS QE 1 26 LYS HG3 2.813 . 3.802 2.129 2.033 2.255 . 0 0 "[ . 1]" 1
205 1 13 LYS QE 1 13 LYS HG2 3.620 . 5.258 2.657 2.399 3.529 . 0 0 "[ . 1]" 1
206 1 26 LYS QG 1 27 CYS QB 4.104 . 6.210 4.839 4.688 4.997 . 0 0 "[ . 1]" 1
207 1 24 PHE HB2 1 26 LYS QG 3.727 . 5.464 4.562 4.409 4.844 . 0 0 "[ . 1]" 1
208 1 4 MET QB 1 4 MET QG 2.485 . 3.257 1.910 1.859 1.971 0.132 6 0 "[ . 1]" 1
209 1 12 CYS HB3 1 13 LYS QB 3.659 . 5.332 3.936 3.613 4.369 . 0 0 "[ . 1]" 1
210 1 15 LYS HB2 1 32 CYS HB3 3.937 . 5.875 4.511 4.209 4.903 . 0 0 "[ . 1]" 1
211 1 31 LYS QB 1 32 CYS HB2 5.079 . 8.304 3.733 3.369 4.087 . 0 0 "[ . 1]" 1
212 1 10 VAL QG 1 13 LYS QE 3.834 . 5.672 5.279 4.937 5.484 . 0 0 "[ . 1]" 1
213 1 10 VAL QG 1 13 LYS QE 6.946 . 12.977 5.082 4.366 5.376 . 0 0 "[ . 1]" 1
214 1 13 LYS HE3 1 17 LEU QD 4.687 . 7.432 4.943 4.651 5.271 . 0 0 "[ . 1]" 1
215 1 13 LYS QE 1 23 ILE MG 3.817 . 5.638 4.669 3.009 5.151 . 0 0 "[ . 1]" 1
216 1 13 LYS QE 1 23 ILE MD 4.166 . 6.336 3.702 2.199 4.500 . 0 0 "[ . 1]" 1
217 1 10 VAL QG 1 11 GLU HG2 3.729 . 5.467 2.735 2.220 3.814 . 0 0 "[ . 1]" 1
218 1 4 MET QG 1 31 LYS QG 4.478 . 6.985 4.449 3.330 5.285 . 0 0 "[ . 1]" 1
219 1 26 LYS QG 1 28 MET HG3 3.942 . 5.884 5.348 5.107 5.698 . 0 0 "[ . 1]" 1
220 1 26 LYS QG 1 28 MET HG2 3.923 . 5.847 5.210 4.732 5.801 . 0 0 "[ . 1]" 1
221 1 28 MET HG2 1 33 LYS QG 4.492 . 7.014 4.246 2.990 5.550 . 0 0 "[ . 1]" 1
222 1 26 LYS HD2 1 28 MET HG2 3.543 . 5.112 4.601 3.763 5.448 0.336 6 0 "[ . 1]" 1
223 1 26 LYS QB 1 28 MET HG3 3.569 . 5.161 3.730 3.499 4.013 . 0 0 "[ . 1]" 1
224 1 26 LYS QB 1 28 MET HG2 3.650 . 5.315 3.329 2.851 3.923 . 0 0 "[ . 1]" 1
225 1 2 MET QB 1 2 MET HG3 1.793 . 2.195 1.848 1.822 1.868 . 0 0 "[ . 1]" 1
226 1 1 GLN QB 1 1 GLN QG 2.183 . 2.779 2.030 1.977 2.086 . 0 0 "[ . 1]" 1
227 1 14 GLN QB 1 14 GLN HG2 2.583 . 3.417 2.326 2.160 2.359 . 0 0 "[ . 1]" 1
228 1 20 ILE HB 1 20 ILE MD 2.277 . 2.925 1.997 1.984 2.010 . 0 0 "[ . 1]" 1
229 1 5 ARG QB 1 5 ARG QG 1.831 . 2.250 2.077 2.067 2.081 . 0 0 "[ . 1]" 1
230 1 15 LYS HB2 1 31 LYS QB 2.197 . 2.800 2.826 2.671 2.950 0.150 5 0 "[ . 1]" 1
231 1 13 LYS QB 1 13 LYS HG3 1.909 . 2.365 2.152 2.143 2.164 . 0 0 "[ . 1]" 1
232 1 15 LYS HB3 1 15 LYS HG3 2.286 . 2.939 1.969 1.961 1.980 . 0 0 "[ . 1]" 1
233 1 13 LYS QB 1 13 LYS HG2 2.582 . 3.416 2.401 2.310 2.450 . 0 0 "[ . 1]" 1
234 1 18 LYS QB 1 18 LYS HG2 2.319 . 2.991 2.329 2.305 2.373 . 0 0 "[ . 1]" 1
235 1 18 LYS QB 1 18 LYS HG3 2.634 . 3.501 2.339 2.159 2.382 . 0 0 "[ . 1]" 1
236 1 26 LYS QB 1 33 LYS QG 2.843 . 3.854 3.771 2.470 4.059 0.205 2 0 "[ . 1]" 1
237 1 33 LYS QB 1 33 LYS QG 2.206 . 2.814 1.924 1.884 1.960 . 0 0 "[ . 1]" 1
238 1 13 LYS QD 1 13 LYS HG3 1.794 . 2.196 2.093 2.075 2.105 . 0 0 "[ . 1]" 1
239 1 15 LYS HG3 1 31 LYS HB3 1.984 . 2.476 2.044 1.745 2.302 . 0 0 "[ . 1]" 1
240 1 15 LYS HG3 1 31 LYS QB 2.072 . 2.609 2.397 1.781 3.508 0.899 2 2 "[ + . - 1]" 1
241 1 31 LYS QB 1 31 LYS QG 1.888 . 2.334 2.000 1.987 2.012 . 0 0 "[ . 1]" 1
242 1 17 LEU HB2 1 17 LEU QD 2.644 . 3.518 2.189 2.127 2.272 . 0 0 "[ . 1]" 1
243 1 8 ALA MB 1 10 VAL QG 2.915 . 3.977 2.434 1.883 3.195 . 0 0 "[ . 1]" 1
244 1 20 ILE MD 1 20 ILE HG12 2.229 . 2.850 1.980 1.975 1.985 . 0 0 "[ . 1]" 1
245 1 14 GLN QB 1 15 LYS HG2 3.137 . 4.367 4.195 3.237 4.488 0.121 7 0 "[ . 1]" 1
246 1 14 GLN QB 1 18 LYS HG2 3.783 . 5.572 4.807 3.837 5.393 . 0 0 "[ . 1]" 1
247 1 14 GLN HG2 1 17 LEU HB2 4.173 . 6.350 5.024 4.652 5.294 . 0 0 "[ . 1]" 1
248 1 2 MET QG 1 8 ALA MB 3.556 . 5.137 4.064 2.086 4.817 . 0 0 "[ . 1]" 1
249 1 31 LYS QB 1 32 CYS HB3 4.316 . 6.644 4.941 4.739 5.166 . 0 0 "[ . 1]" 1
250 1 4 MET QG 1 5 ARG QG 4.940 . 7.990 3.807 2.358 4.494 . 0 0 "[ . 1]" 1
251 1 12 CYS HB3 1 15 LYS HB2 4.749 . 7.568 4.670 4.111 5.096 . 0 0 "[ . 1]" 1
252 1 15 LYS HA 1 34 CYS H 4.342 . 6.699 6.746 6.067 6.884 0.185 3 0 "[ . 1]" 1
253 1 6 CYS QB 1 27 CYS HA 3.256 . 4.581 3.545 2.901 4.320 . 0 0 "[ . 1]" 1
254 1 26 LYS QG 1 34 CYS HA 4.243 . 6.494 3.281 2.631 3.840 . 0 0 "[ . 1]" 1
255 1 15 LYS HA 1 15 LYS HG2 2.761 . 3.714 2.304 2.085 2.702 . 0 0 "[ . 1]" 1
256 1 2 MET QG 1 8 ALA MB 4.165 . 6.333 3.154 2.082 4.206 . 0 0 "[ . 1]" 1
257 1 28 MET HG3 1 33 LYS QG 4.327 . 6.667 3.398 2.140 4.508 . 0 0 "[ . 1]" 1
258 1 13 LYS QB 1 13 LYS HD2 3.261 . 4.590 2.238 2.099 2.436 . 0 0 "[ . 1]" 1
259 1 29 ASN HA 1 30 LYS QG 3.115 . 4.328 3.513 3.261 3.794 . 0 0 "[ . 1]" 1
260 1 13 LYS HG3 1 23 ILE HA 3.431 . 4.902 4.353 3.337 4.834 . 0 0 "[ . 1]" 1
261 1 13 LYS QD 1 23 ILE HA 3.327 . 4.711 3.030 2.908 3.155 . 0 0 "[ . 1]" 1
262 1 29 ASN HA 1 30 LYS HD2 4.395 . 6.810 5.534 4.945 6.071 . 0 0 "[ . 1]" 1
263 1 15 LYS HA 1 16 CYS HA 3.250 . 4.570 4.213 4.136 4.267 . 0 0 "[ . 1]" 1
264 1 2 MET HA 1 9 SER QB 4.355 . 6.725 5.255 4.041 6.129 . 0 0 "[ . 1]" 1
265 1 16 CYS H 1 22 SER HA 3.970 . 5.940 5.907 5.634 6.114 0.174 2 0 "[ . 1]" 1
266 1 13 LYS H 1 14 GLN HB2 4.438 . 6.900 4.022 3.799 4.253 . 0 0 "[ . 1]" 1
267 1 6 CYS HA 1 6 CYS QB 2.540 . 3.347 2.387 2.333 2.422 . 0 0 "[ . 1]" 1
268 1 28 MET H 1 33 LYS H 3.821 . 5.646 3.601 3.021 3.839 . 0 0 "[ . 1]" 1
269 1 28 MET H 1 29 ASN H 3.871 . 5.744 4.166 4.011 4.293 . 0 0 "[ . 1]" 1
270 1 32 CYS H 1 33 LYS H 4.530 . 7.095 4.275 4.158 4.363 . 0 0 "[ . 1]" 1
271 1 9 SER H 1 10 VAL H 3.761 . 5.530 2.626 1.949 3.045 0.043 8 0 "[ . 1]" 1
272 1 33 LYS H 1 34 CYS H 3.907 . 5.815 4.422 4.244 4.565 . 0 0 "[ . 1]" 1
273 1 29 ASN H 1 30 LYS H 2.768 . 3.726 2.798 2.611 3.122 . 0 0 "[ . 1]" 1
274 1 26 LYS H 1 33 LYS H 2.763 . 3.717 2.524 2.015 2.829 . 0 0 "[ . 1]" 1
275 1 7 SER H 1 8 ALA H 2.190 . 2.789 1.863 1.581 2.776 0.010 8 0 "[ . 1]" 1
276 1 6 CYS H 1 7 SER H 4.255 . 6.518 2.625 2.282 3.155 . 0 0 "[ . 1]" 1
277 1 8 ALA H 1 9 SER H 4.279 . 6.568 2.606 2.476 2.867 . 0 0 "[ . 1]" 1
278 1 28 MET H 1 30 LYS H 3.680 . 5.373 4.411 4.193 4.683 . 0 0 "[ . 1]" 1
279 1 26 LYS H 1 27 CYS H 3.595 . 5.210 4.371 4.209 4.487 . 0 0 "[ . 1]" 1
280 1 4 MET H 1 5 ARG H 2.443 . 3.189 3.107 2.724 3.429 0.240 5 0 "[ . 1]" 1
281 1 28 MET H 1 31 LYS H 2.855 . 3.874 3.749 3.400 3.944 0.070 4 0 "[ . 1]" 1
282 1 31 LYS H 1 32 CYS H 4.079 . 6.159 3.808 3.317 4.210 . 0 0 "[ . 1]" 1
283 1 29 ASN H 1 31 LYS H 4.126 . 6.254 4.412 4.033 4.657 . 0 0 "[ . 1]" 1
284 1 29 ASN H 1 29 ASN HD21 4.342 . 6.699 4.280 3.051 4.931 . 0 0 "[ . 1]" 1
285 1 14 GLN H 1 16 CYS H 3.523 . 5.074 4.037 3.807 4.282 . 0 0 "[ . 1]" 1
286 1 19 ALA H 1 21 GLY H 3.787 . 5.580 3.632 3.477 4.022 . 0 0 "[ . 1]" 1
287 1 18 LYS H 1 19 ALA H 2.317 . 2.988 2.439 2.258 2.572 . 0 0 "[ . 1]" 1
288 1 19 ALA H 1 20 ILE H 2.685 . 3.586 2.963 2.805 3.076 . 0 0 "[ . 1]" 1
289 1 30 LYS H 1 31 LYS H 2.698 . 3.608 3.027 2.712 3.256 . 0 0 "[ . 1]" 1
290 1 24 PHE H 1 25 GLY H 2.870 . 3.900 2.895 2.648 3.456 . 0 0 "[ . 1]" 1
291 1 10 VAL H 1 11 GLU H 3.360 . 4.771 1.957 1.770 2.285 0.179 1 0 "[ . 1]" 1
292 1 17 LEU H 1 19 ALA H 3.746 . 5.500 3.678 3.525 3.807 . 0 0 "[ . 1]" 1
293 1 8 ALA H 1 11 GLU H 4.162 . 6.327 4.105 3.723 4.454 . 0 0 "[ . 1]" 1
294 1 23 ILE H 1 24 PHE H 2.686 . 3.588 2.619 2.377 2.840 . 0 0 "[ . 1]" 1
295 1 20 ILE H 1 21 GLY H 2.294 . 2.952 1.958 1.814 2.162 . 0 0 "[ . 1]" 1
296 1 14 GLN H 1 15 LYS H 2.590 . 3.428 2.583 2.460 2.789 . 0 0 "[ . 1]" 1
297 1 17 LEU H 1 18 LYS H 2.582 . 3.415 2.483 2.434 2.588 . 0 0 "[ . 1]" 1
298 1 24 PHE QD 1 25 GLY H 3.545 . 5.116 4.856 4.827 4.899 . 0 0 "[ . 1]" 1
299 1 24 PHE H 1 24 PHE QD 2.902 . 3.954 2.780 2.283 3.175 . 0 0 "[ . 1]" 1
300 1 24 PHE H 1 24 PHE QE 3.706 . 5.423 4.613 4.082 4.855 . 0 0 "[ . 1]" 1
301 1 21 GLY H 1 22 SER H 2.972 . 4.076 2.341 1.855 2.704 0.013 2 0 "[ . 1]" 1
302 1 23 ILE H 1 24 PHE QD 3.402 . 4.848 2.471 2.072 2.985 . 0 0 "[ . 1]" 1
303 1 22 SER H 1 23 ILE H 4.449 . 6.924 4.428 4.387 4.466 . 0 0 "[ . 1]" 1
304 1 20 ILE H 1 22 SER H 3.710 . 5.430 3.344 3.150 3.583 . 0 0 "[ . 1]" 1
305 1 6 CYS HA 1 7 SER H 2.520 . 3.314 2.872 2.577 3.456 0.142 2 0 "[ . 1]" 1
306 1 32 CYS HA 1 33 LYS H 2.331 . 3.010 2.208 2.063 2.371 . 0 0 "[ . 1]" 1
307 1 27 CYS H 1 32 CYS HA 4.154 . 6.311 4.245 4.035 4.372 . 0 0 "[ . 1]" 1
308 1 28 MET H 1 32 CYS HA 3.003 . 4.130 2.109 1.850 2.399 0.026 10 0 "[ . 1]" 1
309 1 27 CYS H 1 27 CYS HA 2.917 . 3.980 2.750 2.707 2.831 . 0 0 "[ . 1]" 1
310 1 27 CYS HA 1 28 MET H 2.267 . 2.909 2.157 2.128 2.178 . 0 0 "[ . 1]" 1
311 1 2 MET H 1 8 ALA HA 2.513 . 3.303 3.207 2.607 3.567 0.264 4 0 "[ . 1]" 1
312 1 27 CYS HA 1 32 CYS H 4.236 . 6.479 4.843 4.661 4.965 . 0 0 "[ . 1]" 1
313 1 12 CYS HA 1 32 CYS H 3.243 . 4.558 4.554 4.268 4.695 0.137 4 0 "[ . 1]" 1
314 1 29 ASN H 1 29 ASN HA 2.345 . 3.033 2.268 2.259 2.274 . 0 0 "[ . 1]" 1
315 1 26 LYS HA 1 27 CYS H 2.161 . 2.745 2.170 2.132 2.237 . 0 0 "[ . 1]" 1
316 1 2 MET H 1 2 MET HA 3.000 . 4.125 2.717 2.233 2.945 . 0 0 "[ . 1]" 1
317 1 4 MET H 1 8 ALA HA 3.605 . 5.229 4.594 3.332 5.295 0.066 4 0 "[ . 1]" 1
318 1 3 ASP H 1 8 ALA HA 3.194 . 4.469 3.250 1.870 4.300 0.049 8 0 "[ . 1]" 1
319 1 3 ASP H 1 3 ASP HA 2.419 . 3.150 2.873 2.776 2.950 . 0 0 "[ . 1]" 1
320 1 2 MET HA 1 3 ASP H 1.869 . 2.306 2.318 2.106 2.505 0.199 7 0 "[ . 1]" 1
321 1 16 CYS H 1 16 CYS HA 2.407 . 3.131 2.843 2.788 2.895 . 0 0 "[ . 1]" 1
322 1 33 LYS HA 1 34 CYS H 1.979 . 2.469 2.274 2.178 2.375 . 0 0 "[ . 1]" 1
323 1 9 SER HA 1 10 VAL H 3.357 . 4.765 3.198 2.861 3.549 . 0 0 "[ . 1]" 1
324 1 28 MET HA 1 30 LYS H 3.533 . 5.093 3.933 3.394 4.321 . 0 0 "[ . 1]" 1
325 1 5 ARG HA 1 30 LYS H 4.155 . 6.313 5.525 4.462 6.263 . 0 0 "[ . 1]" 1
326 1 32 CYS HA 1 34 CYS H 4.518 . 7.070 6.263 5.948 6.453 . 0 0 "[ . 1]" 1
327 1 30 LYS H 1 31 LYS HA 4.159 . 6.321 5.203 5.106 5.308 . 0 0 "[ . 1]" 1
328 1 26 LYS H 1 32 CYS HA 3.486 . 5.005 3.788 3.471 4.306 . 0 0 "[ . 1]" 1
329 1 29 ASN HA 1 30 LYS H 2.340 . 3.024 2.662 2.480 2.847 . 0 0 "[ . 1]" 1
330 1 19 ALA H 1 19 ALA HA 2.264 . 2.905 2.832 2.790 2.855 . 0 0 "[ . 1]" 1
331 1 8 ALA H 1 11 GLU HA 4.297 . 6.605 6.046 5.503 6.306 . 0 0 "[ . 1]" 1
332 1 23 ILE HA 1 25 GLY H 3.331 . 4.718 3.812 3.737 3.890 . 0 0 "[ . 1]" 1
333 1 25 GLY HA2 1 26 LYS H 2.096 . 2.645 2.232 2.072 2.334 . 0 0 "[ . 1]" 1
334 1 16 CYS HA 1 19 ALA H 2.779 . 3.744 3.082 2.810 3.501 . 0 0 "[ . 1]" 1
335 1 19 ALA H 1 20 ILE HA 4.272 . 6.553 5.268 5.178 5.321 . 0 0 "[ . 1]" 1
336 1 6 CYS HA 1 8 ALA H 2.882 . 3.920 3.754 3.366 4.012 0.092 10 0 "[ . 1]" 1
337 1 24 PHE HA 1 25 GLY H 2.307 . 2.972 2.567 2.466 2.636 . 0 0 "[ . 1]" 1
338 1 7 SER HA 1 8 ALA H 2.870 . 3.899 3.152 2.955 3.445 . 0 0 "[ . 1]" 1
339 1 25 GLY H 1 25 GLY HA2 2.499 . 3.280 2.825 2.777 2.861 . 0 0 "[ . 1]" 1
340 1 5 ARG HA 1 6 CYS H 2.113 . 2.671 2.635 2.443 2.823 0.152 6 0 "[ . 1]" 1
341 1 20 ILE HA 1 21 GLY H 3.058 . 4.227 3.310 3.064 3.496 . 0 0 "[ . 1]" 1
342 1 24 PHE H 1 24 PHE HA 2.607 . 3.456 2.931 2.912 2.942 . 0 0 "[ . 1]" 1
343 1 6 CYS H 1 6 CYS HA 2.756 . 3.705 2.260 2.245 2.274 . 0 0 "[ . 1]" 1
344 1 5 ARG H 1 31 LYS HA 4.082 . 6.165 5.761 5.058 6.180 0.015 3 0 "[ . 1]" 1
345 1 31 LYS H 1 31 LYS HA 2.995 . 4.116 2.940 2.928 2.947 . 0 0 "[ . 1]" 1
346 1 20 ILE H 1 20 ILE HA 2.865 . 3.891 2.949 2.939 2.958 . 0 0 "[ . 1]" 1
347 1 22 SER HA 1 24 PHE QE 2.920 . 3.986 4.063 4.022 4.101 0.115 8 0 "[ . 1]" 1
348 1 24 PHE HA 1 24 PHE QD 2.362 . 3.060 2.877 2.659 3.008 . 0 0 "[ . 1]" 1
349 1 16 CYS HA 1 18 LYS H 3.512 . 5.054 4.259 4.097 4.611 . 0 0 "[ . 1]" 1
350 1 12 CYS HA 1 13 LYS H 3.478 . 4.990 3.197 3.043 3.439 . 0 0 "[ . 1]" 1
351 1 16 CYS HA 1 20 ILE H 3.325 . 4.707 3.624 3.290 3.819 . 0 0 "[ . 1]" 1
352 1 23 ILE HA 1 24 PHE H 2.698 . 3.608 2.888 2.737 3.262 . 0 0 "[ . 1]" 1
353 1 23 ILE H 1 23 ILE HA 2.725 . 3.653 2.935 2.903 2.946 . 0 0 "[ . 1]" 1
354 1 17 LEU H 1 23 ILE HA 4.059 . 6.119 4.303 3.939 4.642 . 0 0 "[ . 1]" 1
355 1 21 GLY H 1 21 GLY HA2 2.615 . 3.470 2.375 2.301 2.515 . 0 0 "[ . 1]" 1
356 1 11 GLU HA 1 14 GLN H 3.215 . 4.507 3.349 3.094 3.658 . 0 0 "[ . 1]" 1
357 1 14 GLN H 1 14 GLN HA 2.285 . 2.938 2.864 2.811 2.901 . 0 0 "[ . 1]" 1
358 1 11 GLU HA 1 13 LYS H 3.860 . 5.722 3.470 3.254 3.953 . 0 0 "[ . 1]" 1
359 1 19 ALA HA 1 20 ILE H 2.949 . 4.036 3.579 3.564 3.597 . 0 0 "[ . 1]" 1
360 1 29 ASN HA 1 31 LYS H 4.340 . 6.695 4.191 4.078 4.267 . 0 0 "[ . 1]" 1
361 1 11 GLU HA 1 12 CYS H 3.468 . 4.972 3.500 3.424 3.524 . 0 0 "[ . 1]" 1
362 1 29 ASN HA 1 29 ASN HD21 3.982 . 5.964 3.937 1.913 4.478 0.087 7 0 "[ . 1]" 1
363 1 11 GLU H 1 11 GLU HA 2.928 . 3.999 2.839 2.804 2.896 . 0 0 "[ . 1]" 1
364 1 23 ILE HA 1 24 PHE QE 4.265 . 6.539 5.501 5.317 5.893 . 0 0 "[ . 1]" 1
365 1 23 ILE HA 1 24 PHE QD 4.098 . 6.197 4.683 4.421 5.037 . 0 0 "[ . 1]" 1
366 1 21 GLY HA2 1 22 SER H 3.526 . 5.080 2.761 2.611 3.181 . 0 0 "[ . 1]" 1
367 1 17 LEU HA 1 22 SER H 2.775 . 3.738 1.991 1.786 2.591 0.026 4 0 "[ . 1]" 1
368 1 22 SER H 1 22 SER QB 3.069 . 3.723 2.545 2.381 2.646 . 0 0 "[ . 1]" 1
369 1 22 SER QB 1 24 PHE QD 3.596 . 5.212 3.028 2.238 3.647 . 0 0 "[ . 1]" 1
370 1 22 SER QB 1 24 PHE QE 4.043 . 6.087 4.557 4.051 5.017 . 0 0 "[ . 1]" 1
371 1 14 GLN HA 1 14 GLN HE22 4.045 . 6.090 3.346 3.067 4.163 . 0 0 "[ . 1]" 1
372 1 10 VAL HA 1 11 GLU H 3.307 . 4.674 3.336 2.951 3.530 . 0 0 "[ . 1]" 1
373 1 30 LYS HA 1 31 LYS H 2.906 . 3.962 3.431 3.228 3.534 . 0 0 "[ . 1]" 1
374 1 13 LYS H 1 13 LYS HA 2.817 . 3.809 2.925 2.884 2.936 . 0 0 "[ . 1]" 1
375 1 22 SER QB 1 23 ILE H 3.234 . 4.541 3.085 2.330 3.695 . 0 0 "[ . 1]" 1
376 1 13 LYS HA 1 14 GLN H 2.653 . 3.533 3.552 3.519 3.573 0.040 1 0 "[ . 1]" 1
377 1 22 SER QB 1 24 PHE H 3.392 . 4.830 2.870 2.564 3.257 . 0 0 "[ . 1]" 1
378 1 21 GLY H 1 21 GLY HA3 2.364 . 3.063 2.913 2.831 2.954 . 0 0 "[ . 1]" 1
379 1 13 LYS HA 1 25 GLY H 2.895 . 3.943 3.341 3.229 3.500 . 0 0 "[ . 1]" 1
380 1 7 SER HB2 1 8 ALA H 2.955 . 4.047 4.261 3.831 4.519 0.472 2 0 "[ . 1]" 1
381 1 7 SER HB3 1 8 ALA H 3.223 . 4.522 3.916 3.079 4.508 . 0 0 "[ . 1]" 1
382 1 10 VAL H 1 10 VAL HA 2.692 . 3.598 2.913 2.807 2.951 . 0 0 "[ . 1]" 1
383 1 13 LYS HA 1 16 CYS H 3.275 . 4.616 4.194 3.847 4.480 . 0 0 "[ . 1]" 1
384 1 15 LYS HA 1 16 CYS H 2.738 . 3.675 3.504 3.446 3.548 . 0 0 "[ . 1]" 1
385 1 14 GLN HA 1 16 CYS H 3.554 . 5.133 4.368 4.135 4.570 . 0 0 "[ . 1]" 1
386 1 28 MET H 1 30 LYS HA 4.009 . 6.018 5.476 5.263 5.860 . 0 0 "[ . 1]" 1
387 1 1 GLN HA 1 2 MET H 2.476 . 3.242 2.545 2.143 3.340 0.098 4 0 "[ . 1]" 1
388 1 29 ASN H 1 30 LYS HA 4.274 . 6.557 5.038 4.848 5.387 . 0 0 "[ . 1]" 1
389 1 7 SER H 1 7 SER HB2 3.235 . 4.543 3.129 2.674 3.414 . 0 0 "[ . 1]" 1
390 1 7 SER H 1 7 SER HB3 3.586 . 5.194 3.204 2.552 3.973 . 0 0 "[ . 1]" 1
391 1 29 ASN HA 1 29 ASN HD22 3.886 . 5.774 4.562 3.519 5.100 . 0 0 "[ . 1]" 1
392 1 11 GLU HA 1 14 GLN HE21 4.243 . 6.493 6.376 5.754 6.586 0.093 6 0 "[ . 1]" 1
393 1 14 GLN HA 1 14 GLN HE21 4.019 . 6.038 2.656 2.371 4.122 . 0 0 "[ . 1]" 1
394 1 24 PHE HB3 1 24 PHE QD 2.418 . 3.149 2.417 2.370 2.488 . 0 0 "[ . 1]" 1
395 1 16 CYS QB 1 17 LEU H 3.006 . 4.135 2.903 2.650 3.699 . 0 0 "[ . 1]" 1
396 1 5 ARG HD2 1 5 ARG HE 2.602 . 3.448 2.736 2.471 2.883 . 0 0 "[ . 1]" 1
397 1 20 ILE H 1 22 SER QB 4.215 . 6.436 4.130 3.937 4.546 . 0 0 "[ . 1]" 1
398 1 21 GLY H 1 22 SER QB 4.261 . 6.530 4.072 3.740 4.575 . 0 0 "[ . 1]" 1
399 1 24 PHE H 1 24 PHE HB3 2.838 . 3.845 3.815 3.647 3.890 0.045 4 0 "[ . 1]" 1
400 1 5 ARG HD2 1 6 CYS H 4.298 . 6.607 6.731 6.360 7.112 0.505 10 1 "[ . +]" 1
401 1 14 GLN H 1 16 CYS QB 4.114 . 6.230 5.001 4.394 5.904 . 0 0 "[ . 1]" 1
402 1 16 CYS QB 1 24 PHE H 4.435 . 6.549 3.142 2.662 4.009 . 0 0 "[ . 1]" 1
403 1 5 ARG H 1 5 ARG HD2 3.754 . 5.516 4.741 4.152 5.382 . 0 0 "[ . 1]" 1
404 1 5 ARG H 1 5 ARG HD3 3.697 . 5.406 4.558 3.943 5.105 . 0 0 "[ . 1]" 1
405 1 24 PHE HB3 1 25 GLY H 3.227 . 4.528 4.421 4.380 4.443 . 0 0 "[ . 1]" 1
406 1 16 CYS QB 1 25 GLY H 3.208 . 4.495 3.041 2.679 3.974 . 0 0 "[ . 1]" 1
407 1 25 GLY H 1 25 GLY HA3 2.247 . 2.878 2.268 2.257 2.283 . 0 0 "[ . 1]" 1
408 1 25 GLY HA3 1 26 LYS H 2.595 . 3.437 2.867 2.788 3.064 . 0 0 "[ . 1]" 1
409 1 16 CYS QB 1 19 ALA H 4.283 . 6.215 4.662 4.405 4.826 . 0 0 "[ . 1]" 1
410 1 16 CYS QB 1 26 LYS H 4.502 . 7.035 4.299 3.826 5.392 . 0 0 "[ . 1]" 1
411 1 34 CYS H 1 34 CYS HB3 2.893 . 3.939 3.632 3.285 3.907 . 0 0 "[ . 1]" 1
412 1 16 CYS H 1 16 CYS QB 2.225 . 2.844 2.252 2.143 2.527 . 0 0 "[ . 1]" 1
413 1 16 CYS H 1 22 SER QB 4.316 . 6.644 5.583 5.405 5.887 . 0 0 "[ . 1]" 1
414 1 16 CYS H 1 25 GLY HA3 3.960 . 5.920 3.967 3.713 4.353 . 0 0 "[ . 1]" 1
415 1 29 ASN H 1 29 ASN HB3 3.334 . 4.723 3.859 3.014 4.098 . 0 0 "[ . 1]" 1
416 1 32 CYS HB2 1 33 LYS H 3.765 . 5.537 4.012 3.643 4.310 . 0 0 "[ . 1]" 1
417 1 29 ASN H 1 29 ASN HB2 3.279 . 4.623 3.637 3.402 3.984 . 0 0 "[ . 1]" 1
418 1 32 CYS HB3 1 33 LYS H 3.355 . 4.762 2.922 2.405 3.391 . 0 0 "[ . 1]" 1
419 1 32 CYS H 1 32 CYS HB2 2.589 . 3.427 2.743 2.662 2.833 . 0 0 "[ . 1]" 1
420 1 32 CYS H 1 32 CYS HB3 3.033 . 4.183 3.825 3.779 3.880 . 0 0 "[ . 1]" 1
421 1 27 CYS H 1 27 CYS QB 2.580 . 3.412 2.382 2.217 2.589 . 0 0 "[ . 1]" 1
422 1 27 CYS QB 1 28 MET H 3.477 . 4.988 3.737 3.446 3.968 . 0 0 "[ . 1]" 1
423 1 28 MET H 1 32 CYS HB3 3.990 . 5.980 4.477 4.208 4.717 . 0 0 "[ . 1]" 1
424 1 3 ASP HB3 1 4 MET H 3.485 . 5.003 3.812 3.503 4.084 . 0 0 "[ . 1]" 1
425 1 3 ASP H 1 3 ASP HB3 2.211 . 2.822 2.619 2.493 2.768 . 0 0 "[ . 1]" 1
426 1 3 ASP H 1 3 ASP HB2 2.229 . 2.850 2.615 2.373 2.912 0.062 1 0 "[ . 1]" 1
427 1 7 SER H 1 11 GLU HG2 4.597 . 7.238 4.331 2.237 6.830 . 0 0 "[ . 1]" 1
428 1 7 SER H 1 11 GLU HB2 4.484 . 6.997 4.937 4.368 5.592 . 0 0 "[ . 1]" 1
429 1 28 MET HG3 1 29 ASN H 4.223 . 6.452 5.135 4.693 5.521 . 0 0 "[ . 1]" 1
430 1 28 MET HG3 1 33 LYS H 4.505 . 7.042 4.206 3.530 4.939 . 0 0 "[ . 1]" 1
431 1 28 MET HG2 1 29 ASN H 4.310 . 6.632 4.826 4.552 5.133 . 0 0 "[ . 1]" 1
432 1 27 CYS QB 1 32 CYS H 4.512 . 7.057 6.547 6.377 6.635 . 0 0 "[ . 1]" 1
433 1 12 CYS HB2 1 27 CYS H 4.223 . 6.453 6.252 6.008 7.022 0.569 4 1 "[ +. 1]" 1
434 1 28 MET H 1 28 MET HG2 3.458 . 4.953 3.680 3.088 3.938 . 0 0 "[ . 1]" 1
435 1 28 MET H 1 28 MET HG3 3.496 . 5.024 4.737 4.338 4.943 . 0 0 "[ . 1]" 1
436 1 4 MET H 1 4 MET QG 2.555 . 3.371 2.708 1.759 3.317 . 0 0 "[ . 1]" 1
437 1 12 CYS HB2 1 16 CYS H 4.301 . 6.613 6.577 6.129 6.954 0.341 2 0 "[ . 1]" 1
438 1 16 CYS H 1 32 CYS HB3 4.133 . 6.268 4.861 4.565 5.365 . 0 0 "[ . 1]" 1
439 1 34 CYS H 1 34 CYS HB2 2.421 . 3.154 2.748 2.493 3.629 0.475 8 0 "[ . 1]" 1
440 1 29 ASN HB2 1 30 LYS H 3.444 . 4.927 4.292 4.162 4.371 . 0 0 "[ . 1]" 1
441 1 26 LYS H 1 32 CYS HB3 3.758 . 5.524 2.575 2.229 3.174 . 0 0 "[ . 1]" 1
442 1 29 ASN HB3 1 30 LYS H 3.112 . 4.323 4.450 4.352 4.628 0.305 6 0 "[ . 1]" 1
443 1 26 LYS H 1 32 CYS HB2 4.487 . 7.004 4.201 3.961 4.856 . 0 0 "[ . 1]" 1
444 1 3 ASP HB3 1 8 ALA H 3.946 . 5.893 5.531 4.177 6.007 0.114 1 0 "[ . 1]" 1
445 1 24 PHE HB2 1 25 GLY H 3.165 . 4.417 4.306 4.262 4.369 . 0 0 "[ . 1]" 1
446 1 12 CYS HB2 1 25 GLY H 4.161 . 6.325 4.312 3.922 5.636 . 0 0 "[ . 1]" 1
447 1 3 ASP HB3 1 5 ARG H 3.786 . 5.578 3.181 2.781 3.748 . 0 0 "[ . 1]" 1
448 1 24 PHE H 1 24 PHE HB2 2.461 . 3.218 2.760 2.621 2.861 . 0 0 "[ . 1]" 1
449 1 26 LYS H 1 28 MET HG3 4.193 . 6.390 5.738 5.216 6.783 0.393 2 0 "[ . 1]" 1
450 1 8 ALA H 1 11 GLU HG2 3.613 . 5.245 3.605 2.034 4.696 . 0 0 "[ . 1]" 1
451 1 4 MET QG 1 5 ARG H 3.819 . 5.642 4.102 2.778 4.767 . 0 0 "[ . 1]" 1
452 1 14 GLN H 1 14 GLN HG2 2.748 . 3.692 2.667 2.248 3.959 0.267 1 0 "[ . 1]" 1
453 1 29 ASN HB3 1 29 ASN HD21 3.094 . 4.291 2.707 2.231 2.955 . 0 0 "[ . 1]" 1
454 1 16 CYS QB 1 20 ILE H 4.327 . 6.667 4.637 3.953 5.004 . 0 0 "[ . 1]" 1
455 1 31 LYS H 1 32 CYS HB2 4.370 . 6.757 6.140 5.871 6.318 . 0 0 "[ . 1]" 1
456 1 12 CYS H 1 12 CYS HB3 3.514 . 5.057 3.534 2.705 3.657 . 0 0 "[ . 1]" 1
457 1 23 ILE H 1 24 PHE HB2 3.981 . 5.962 4.254 4.039 4.665 . 0 0 "[ . 1]" 1
458 1 12 CYS HB2 1 13 LYS H 3.569 . 5.162 3.719 3.031 4.158 . 0 0 "[ . 1]" 1
459 1 12 CYS H 1 12 CYS HB2 3.012 . 4.146 2.527 2.429 2.636 . 0 0 "[ . 1]" 1
460 1 29 ASN HB2 1 29 ASN HD21 2.657 . 3.540 2.730 2.198 3.534 . 0 0 "[ . 1]" 1
461 1 24 PHE HB2 1 24 PHE QD 2.336 . 3.018 2.368 2.318 2.405 . 0 0 "[ . 1]" 1
462 1 29 ASN HB2 1 29 ASN HD22 3.093 . 4.289 3.707 3.460 4.073 . 0 0 "[ . 1]" 1
463 1 14 GLN HE21 1 14 GLN HG2 3.846 . 5.695 2.727 2.216 3.499 . 0 0 "[ . 1]" 1
464 1 14 GLN HE21 1 14 GLN HG3 3.894 . 5.789 3.108 2.222 3.464 . 0 0 "[ . 1]" 1
465 1 14 GLN HE22 1 14 GLN HG2 3.916 . 5.833 3.710 3.470 4.068 . 0 0 "[ . 1]" 1
466 1 28 MET HB3 1 29 ASN HD22 3.547 . 5.120 3.927 2.999 4.719 . 0 0 "[ . 1]" 1
467 1 23 ILE HB 1 24 PHE QD 3.656 . 5.327 5.020 4.796 5.244 . 0 0 "[ . 1]" 1
468 1 23 ILE HB 1 24 PHE QE 4.058 . 6.117 5.064 4.811 5.467 . 0 0 "[ . 1]" 1
469 1 11 GLU H 1 11 GLU HB2 2.945 . 4.029 2.821 2.335 3.409 . 0 0 "[ . 1]" 1
470 1 11 GLU H 1 11 GLU HG3 2.903 . 3.957 2.554 1.823 3.935 0.026 4 0 "[ . 1]" 1
471 1 11 GLU H 1 11 GLU HB3 3.038 . 4.192 3.529 3.261 3.614 . 0 0 "[ . 1]" 1
472 1 11 GLU HB3 1 12 CYS H 3.946 . 5.893 3.990 3.619 4.249 . 0 0 "[ . 1]" 1
473 1 11 GLU HB2 1 12 CYS H 3.667 . 5.348 2.921 2.741 3.193 . 0 0 "[ . 1]" 1
474 1 11 GLU HG3 1 12 CYS H 4.379 . 6.776 4.445 3.607 5.382 . 0 0 "[ . 1]" 1
475 1 30 LYS HB2 1 31 LYS H 3.965 . 5.930 3.165 2.874 3.625 . 0 0 "[ . 1]" 1
476 1 28 MET HB3 1 29 ASN HD21 3.582 . 5.186 3.861 2.387 5.241 0.055 4 0 "[ . 1]" 1
477 1 20 ILE HB 1 21 GLY H 3.454 . 4.945 4.208 3.828 4.375 . 0 0 "[ . 1]" 1
478 1 4 MET QB 1 5 ARG H 3.686 . 5.384 3.885 3.280 4.056 . 0 0 "[ . 1]" 1
479 1 8 ALA H 1 11 GLU HB2 3.388 . 4.823 4.334 3.212 4.812 . 0 0 "[ . 1]" 1
480 1 8 ALA H 1 11 GLU HG3 3.401 . 4.847 3.804 2.535 4.737 . 0 0 "[ . 1]" 1
481 1 8 ALA H 1 11 GLU HB3 3.654 . 5.323 5.082 3.736 5.509 0.186 5 0 "[ . 1]" 1
482 1 30 LYS H 1 30 LYS HB2 3.116 . 4.330 3.584 3.517 3.645 . 0 0 "[ . 1]" 1
483 1 30 LYS H 1 30 LYS HB3 3.075 . 4.257 4.129 4.099 4.148 . 0 0 "[ . 1]" 1
484 1 4 MET H 1 4 MET QB 2.927 . 3.074 2.645 2.335 2.920 . 0 0 "[ . 1]" 1
485 1 28 MET H 1 28 MET HB3 2.928 . 3.999 3.860 3.817 3.915 . 0 0 "[ . 1]" 1
486 1 28 MET HB3 1 29 ASN H 3.443 . 4.925 3.137 2.696 3.460 . 0 0 "[ . 1]" 1
487 1 27 CYS H 1 28 MET HB3 4.520 . 7.074 6.886 6.752 7.005 . 0 0 "[ . 1]" 1
488 1 27 CYS H 1 33 LYS QB 4.433 . 6.890 6.465 6.216 6.655 . 0 0 "[ . 1]" 1
489 1 15 LYS HB3 1 32 CYS H 3.274 . 4.614 2.899 2.442 3.258 . 0 0 "[ . 1]" 1
490 1 33 LYS H 1 33 LYS QB 2.867 . 3.894 2.579 2.254 2.768 . 0 0 "[ . 1]" 1
491 1 28 MET HB2 1 29 ASN H 3.693 . 5.398 4.203 3.990 4.385 . 0 0 "[ . 1]" 1
492 1 15 LYS HB2 1 32 CYS H 4.582 . 7.206 3.011 2.453 3.438 . 0 0 "[ . 1]" 1
493 1 28 MET H 1 28 MET HB2 2.661 . 3.546 2.880 2.813 2.945 . 0 0 "[ . 1]" 1
494 1 4 MET H 1 5 ARG QB 4.242 . 6.491 4.798 4.408 5.146 . 0 0 "[ . 1]" 1
495 1 3 ASP H 1 5 ARG QB 4.420 . 6.862 5.411 5.058 5.817 . 0 0 "[ . 1]" 1
496 1 15 LYS HB3 1 16 CYS H 2.665 . 3.553 3.012 2.472 3.615 0.062 3 0 "[ . 1]" 1
497 1 33 LYS QB 1 34 CYS H 3.337 . 4.410 3.096 2.590 3.753 . 0 0 "[ . 1]" 1
498 1 15 LYS HB2 1 16 CYS H 2.465 . 3.225 3.216 2.707 3.383 0.158 7 0 "[ . 1]" 1
499 1 33 LYS HD3 1 34 CYS H 3.860 . 5.722 5.471 4.920 5.835 0.113 2 0 "[ . 1]" 1
500 1 28 MET HB2 1 30 LYS H 4.134 . 6.270 5.870 5.584 6.262 . 0 0 "[ . 1]" 1
501 1 26 LYS H 1 33 LYS QB 3.197 . 4.474 4.177 3.873 4.410 . 0 0 "[ . 1]" 1
502 1 15 LYS HB3 1 19 ALA H 3.566 . 5.155 5.188 5.155 5.230 0.075 7 0 "[ . 1]" 1
503 1 23 ILE HB 1 25 GLY H 4.055 . 6.110 5.124 4.863 5.229 . 0 0 "[ . 1]" 1
504 1 5 ARG QB 1 5 ARG HE 2.661 . 3.546 2.270 2.011 2.677 . 0 0 "[ . 1]" 1
505 1 17 LEU HB3 1 18 LYS H 2.425 . 3.160 2.787 2.547 3.220 0.060 1 0 "[ . 1]" 1
506 1 17 LEU HB2 1 18 LYS H 2.783 . 3.751 3.454 3.044 3.667 . 0 0 "[ . 1]" 1
507 1 15 LYS H 1 15 LYS HB2 2.634 . 3.501 2.185 2.078 2.403 . 0 0 "[ . 1]" 1
508 1 17 LEU H 1 17 LEU HB3 2.443 . 3.189 2.939 2.708 3.312 0.123 1 0 "[ . 1]" 1
509 1 17 LEU H 1 17 LEU HB2 2.461 . 3.218 2.175 2.019 2.358 . 0 0 "[ . 1]" 1
510 1 15 LYS H 1 15 LYS HB3 2.951 . 4.039 3.249 2.953 3.595 . 0 0 "[ . 1]" 1
511 1 20 ILE HG13 1 22 SER H 3.041 . 4.197 3.024 1.920 3.280 . 0 0 "[ . 1]" 1
512 1 20 ILE HG12 1 22 SER H 3.648 . 5.311 3.605 2.987 4.087 . 0 0 "[ . 1]" 1
513 1 8 ALA MB 1 11 GLU H 3.270 . 4.607 2.870 1.894 3.487 0.039 2 0 "[ . 1]" 1
514 1 15 LYS H 1 15 LYS HG3 3.182 . 4.447 4.307 3.821 4.537 0.090 7 0 "[ . 1]" 1
515 1 8 ALA MB 1 12 CYS H 4.160 . 6.323 4.928 3.682 5.627 . 0 0 "[ . 1]" 1
516 1 19 ALA MB 1 20 ILE H 2.406 . 3.130 2.018 1.914 2.146 . 0 0 "[ . 1]" 1
517 1 20 ILE H 1 20 ILE HG12 2.718 . 3.641 2.282 2.189 2.382 . 0 0 "[ . 1]" 1
518 1 20 ILE H 1 20 ILE HG13 3.100 . 4.301 3.012 2.843 3.256 . 0 0 "[ . 1]" 1
519 1 13 LYS H 1 13 LYS HG2 3.393 . 4.832 2.636 2.227 2.893 . 0 0 "[ . 1]" 1
520 1 18 LYS H 1 18 LYS HG3 2.583 . 3.417 2.452 2.182 3.655 0.238 5 0 "[ . 1]" 1
521 1 18 LYS H 1 18 LYS HG2 3.087 . 4.278 3.425 2.312 3.870 . 0 0 "[ . 1]" 1
522 1 13 LYS HG2 1 14 GLN H 3.341 . 4.736 3.965 3.816 4.093 . 0 0 "[ . 1]" 1
523 1 19 ALA MB 1 21 GLY H 3.347 . 4.747 3.606 3.428 3.913 . 0 0 "[ . 1]" 1
524 1 8 ALA H 1 8 ALA MB 2.346 . 3.034 2.249 2.216 2.271 . 0 0 "[ . 1]" 1
525 1 13 LYS HG2 1 25 GLY H 3.715 . 5.440 4.991 4.605 5.317 . 0 0 "[ . 1]" 1
526 1 20 ILE HG13 1 21 GLY H 3.644 . 5.304 3.083 2.313 3.691 . 0 0 "[ . 1]" 1
527 1 20 ILE HG12 1 21 GLY H 3.827 . 5.658 3.375 2.849 4.112 . 0 0 "[ . 1]" 1
528 1 19 ALA H 1 19 ALA MB 1.964 . 2.446 2.242 2.225 2.252 . 0 0 "[ . 1]" 1
529 1 8 ALA MB 1 10 VAL H 2.838 . 3.845 2.817 2.507 3.337 . 0 0 "[ . 1]" 1
530 1 15 LYS HG3 1 16 CYS H 3.699 . 5.409 5.036 4.447 5.368 . 0 0 "[ . 1]" 1
531 1 8 ALA MB 1 9 SER H 3.135 . 4.364 3.068 1.972 3.312 . 0 0 "[ . 1]" 1
532 1 7 SER H 1 8 ALA MB 3.842 . 5.687 3.452 3.236 3.917 . 0 0 "[ . 1]" 1
533 1 19 ALA H 1 20 ILE HG13 4.479 . 6.987 5.782 5.475 6.027 . 0 0 "[ . 1]" 1
534 1 19 ALA H 1 20 ILE HG12 3.959 . 5.919 4.916 4.726 5.042 . 0 0 "[ . 1]" 1
535 1 10 VAL H 1 10 VAL QG 3.040 . 3.548 2.314 2.009 2.731 . 0 0 "[ . 1]" 1
536 1 16 CYS H 1 17 LEU QD 4.227 . 6.461 5.281 5.046 5.495 . 0 0 "[ . 1]" 1
537 1 17 LEU QD 1 19 ALA H 4.032 . 6.064 4.937 4.717 5.253 . 0 0 "[ . 1]" 1
538 1 8 ALA H 1 10 VAL QG 3.803 . 5.611 4.701 4.152 5.416 . 0 0 "[ . 1]" 1
539 1 20 ILE MD 1 25 GLY H 4.371 . 6.759 6.827 6.754 6.890 0.131 3 0 "[ . 1]" 1
540 1 23 ILE MG 1 25 GLY H 3.723 . 5.455 5.483 5.430 5.539 0.084 8 0 "[ . 1]" 1
541 1 10 VAL QG 1 14 GLN H 3.945 . 5.890 3.603 2.928 4.269 . 0 0 "[ . 1]" 1
542 1 17 LEU QD 1 21 GLY H 4.123 . 5.157 3.769 3.501 4.029 . 0 0 "[ . 1]" 1
543 1 23 ILE MG 1 24 PHE H 3.157 . 4.403 4.272 4.057 4.357 . 0 0 "[ . 1]" 1
544 1 23 ILE HG13 1 24 PHE H 3.692 . 5.396 3.945 3.218 4.203 . 0 0 "[ . 1]" 1
545 1 14 GLN H 1 23 ILE MG 3.971 . 5.942 5.037 4.820 5.214 . 0 0 "[ . 1]" 1
546 1 14 GLN H 1 17 LEU QD 4.199 . 6.403 4.916 4.225 5.465 . 0 0 "[ . 1]" 1
547 1 23 ILE MD 1 25 GLY H 4.632 . 7.314 6.277 5.796 6.509 . 0 0 "[ . 1]" 1
548 1 23 ILE MD 1 24 PHE H 3.799 . 5.603 5.166 4.589 5.350 . 0 0 "[ . 1]" 1
549 1 23 ILE H 1 23 ILE MD 3.286 . 4.636 3.818 3.711 3.904 . 0 0 "[ . 1]" 1
550 1 23 ILE H 1 23 ILE HG13 2.502 . 3.284 2.949 2.773 3.139 . 0 0 "[ . 1]" 1
551 1 23 ILE H 1 23 ILE MG 2.542 . 3.350 2.722 2.262 3.126 . 0 0 "[ . 1]" 1
552 1 10 VAL QG 1 13 LYS H 4.495 . 7.021 4.166 3.781 4.598 . 0 0 "[ . 1]" 1
553 1 20 ILE H 1 20 ILE MG 2.728 . 3.658 2.864 2.582 3.195 . 0 0 "[ . 1]" 1
554 1 10 VAL QG 1 11 GLU H 3.671 . 4.035 2.798 2.220 3.410 . 0 0 "[ . 1]" 1
555 1 17 LEU H 1 17 LEU QD 3.443 . 4.924 3.623 3.278 3.767 . 0 0 "[ . 1]" 1
556 1 14 GLN HE22 1 17 LEU QD 3.830 . 5.663 3.020 2.050 3.994 . 0 0 "[ . 1]" 1
557 1 17 LEU QD 1 20 ILE H 4.514 . 7.061 5.124 4.758 5.415 . 0 0 "[ . 1]" 1
558 1 20 ILE MD 1 24 PHE QE 4.344 . 6.703 6.492 6.144 6.729 0.026 4 0 "[ . 1]" 1
559 1 20 ILE MD 1 24 PHE QD 4.274 . 6.557 5.097 4.777 5.363 . 0 0 "[ . 1]" 1
560 1 20 ILE MD 1 22 SER H 3.351 . 4.754 4.223 3.287 4.553 . 0 0 "[ . 1]" 1
561 1 17 LEU QD 1 22 SER H 4.386 . 6.791 3.567 2.728 4.518 . 0 0 "[ . 1]" 1
562 1 23 ILE HG13 1 24 PHE QD 3.544 . 5.114 3.400 3.240 3.437 . 0 0 "[ . 1]" 1
563 1 23 ILE HG13 1 24 PHE HZ 4.082 . 6.165 3.388 3.035 4.092 . 0 0 "[ . 1]" 1
564 1 23 ILE HG13 1 24 PHE QE 3.636 . 5.288 3.100 2.699 3.561 . 0 0 "[ . 1]" 1
565 1 23 ILE MG 1 24 PHE QE 3.434 . 4.908 4.389 4.329 4.489 . 0 0 "[ . 1]" 1
566 1 23 ILE MG 1 24 PHE HZ 3.889 . 5.780 5.250 5.094 5.510 . 0 0 "[ . 1]" 1
567 1 23 ILE MG 1 24 PHE QD 3.242 . 4.556 4.672 4.597 4.765 0.209 8 0 "[ . 1]" 1
568 1 23 ILE MD 1 24 PHE QE 2.943 . 4.026 3.295 3.218 3.403 . 0 0 "[ . 1]" 1
569 1 23 ILE MD 1 24 PHE HZ 3.084 . 4.273 2.942 2.759 3.115 . 0 0 "[ . 1]" 1
570 1 23 ILE MD 1 24 PHE QD 3.095 . 4.293 4.322 4.072 4.379 0.086 7 0 "[ . 1]" 1
571 1 10 VAL QG 1 14 GLN HE21 4.554 . 7.074 4.380 3.520 5.466 . 0 0 "[ . 1]" 1
572 1 14 GLN HE21 1 17 LEU QD 3.537 . 5.101 3.509 2.490 4.873 . 0 0 "[ . 1]" 1
573 1 23 ILE HG12 1 25 GLY H 4.552 . 7.142 6.375 5.863 6.625 . 0 0 "[ . 1]" 1
574 1 23 ILE HG12 1 24 PHE H 3.519 . 5.067 4.257 3.388 4.560 . 0 0 "[ . 1]" 1
575 1 23 ILE H 1 23 ILE HG12 2.988 . 4.104 2.189 2.057 2.300 . 0 0 "[ . 1]" 1
576 1 23 ILE HG12 1 24 PHE QE 3.476 . 4.987 2.767 2.609 3.015 . 0 0 "[ . 1]" 1
577 1 23 ILE HG12 1 24 PHE HZ 3.978 . 5.956 3.561 3.359 3.957 . 0 0 "[ . 1]" 1
578 1 23 ILE HG12 1 24 PHE QD 3.290 . 4.643 3.607 3.437 3.799 . 0 0 "[ . 1]" 1
579 1 27 CYS HA 1 32 CYS HA 3.446 . 4.930 2.660 2.489 2.797 . 0 0 "[ . 1]" 1
580 1 28 MET HA 1 29 ASN HA 3.634 . 5.285 4.384 4.330 4.460 . 0 0 "[ . 1]" 1
581 1 20 ILE HA 1 21 GLY HA2 6.894 . 12.835 5.035 4.976 5.092 . 0 0 "[ . 1]" 1
582 1 22 SER HA 1 22 SER QB 2.819 . 3.812 2.404 2.382 2.466 . 0 0 "[ . 1]" 1
583 1 6 CYS HA 1 7 SER HB2 4.402 . 6.824 5.155 4.850 5.570 . 0 0 "[ . 1]" 1
584 1 6 CYS HA 1 7 SER HB3 3.894 . 5.789 5.658 5.169 6.148 0.359 10 0 "[ . 1]" 1
585 1 30 LYS HA 1 31 LYS HA 4.345 . 6.705 4.467 4.390 4.521 . 0 0 "[ . 1]" 1
586 1 20 ILE HA 1 21 GLY HA3 4.238 . 6.483 4.482 4.422 4.544 . 0 0 "[ . 1]" 1
587 1 5 ARG HA 1 30 LYS HA 4.131 . 6.265 3.390 2.192 4.148 . 0 0 "[ . 1]" 1
588 1 13 LYS HA 1 23 ILE HA 3.693 . 5.398 2.055 1.938 2.324 0.050 3 0 "[ . 1]" 1
589 1 24 PHE HA 1 25 GLY HA3 4.199 . 6.403 4.667 4.585 4.715 . 0 0 "[ . 1]" 1
590 1 5 ARG HA 1 5 ARG HD2 3.707 . 5.425 4.942 4.401 5.529 0.104 3 0 "[ . 1]" 1
591 1 32 CYS HA 1 32 CYS HB2 2.486 . 3.258 3.007 2.998 3.015 . 0 0 "[ . 1]" 1
592 1 27 CYS QB 1 32 CYS HA 4.510 . 7.052 4.598 4.432 4.783 . 0 0 "[ . 1]" 1
593 1 27 CYS HA 1 27 CYS QB 3.008 . 4.139 2.342 2.299 2.377 . 0 0 "[ . 1]" 1
594 1 16 CYS HA 1 16 CYS QB 3.844 . 5.691 2.420 2.168 2.478 . 0 0 "[ . 1]" 1
595 1 3 ASP HA 1 3 ASP HB3 2.745 . 3.687 3.022 3.008 3.033 . 0 0 "[ . 1]" 1
596 1 12 CYS HA 1 32 CYS HB2 3.742 . 5.493 1.985 1.866 2.528 0.125 8 0 "[ . 1]" 1
597 1 29 ASN HA 1 29 ASN HB3 2.754 . 3.702 2.466 2.381 2.584 . 0 0 "[ . 1]" 1
598 1 12 CYS HA 1 12 CYS HB2 2.854 . 3.872 2.974 2.565 3.024 . 0 0 "[ . 1]" 1
599 1 4 MET HA 1 4 MET QG 2.716 . 3.638 3.108 2.344 3.497 . 0 0 "[ . 1]" 1
600 1 28 MET HA 1 28 MET HG3 4.444 . 6.913 3.710 3.666 3.845 . 0 0 "[ . 1]" 1
601 1 28 MET HA 1 28 MET HG2 3.949 . 5.898 2.873 2.545 3.124 . 0 0 "[ . 1]" 1
602 1 6 CYS HA 1 11 GLU HG2 4.138 . 6.278 4.120 2.628 5.769 . 0 0 "[ . 1]" 1
603 1 6 CYS HA 1 11 GLU HB2 4.067 . 6.135 3.699 2.973 4.483 . 0 0 "[ . 1]" 1
604 1 6 CYS HA 1 11 GLU HG3 3.864 . 5.730 5.053 4.249 5.575 . 0 0 "[ . 1]" 1
605 1 6 CYS HA 1 11 GLU HB3 3.690 . 5.392 4.582 3.853 5.354 . 0 0 "[ . 1]" 1
606 1 4 MET HA 1 4 MET QB 2.569 . 3.394 2.232 2.156 2.398 . 0 0 "[ . 1]" 1
607 1 13 LYS HA 1 16 CYS QB 3.641 . 4.867 3.451 2.921 4.580 . 0 0 "[ . 1]" 1
608 1 11 GLU HA 1 14 GLN HG2 4.787 . 7.652 4.787 4.023 5.492 . 0 0 "[ . 1]" 1
609 1 11 GLU HA 1 11 GLU HG3 2.498 . 3.278 2.995 2.544 3.690 0.412 2 0 "[ . 1]" 1
610 1 16 CYS QB 1 22 SER QB . . 3.393 2.997 2.051 3.295 . 0 0 "[ . 1]" 1
611 1 22 SER QB 1 34 CYS HB3 2.800 . 3.780 3.422 2.617 3.675 . 0 0 "[ . 1]" 1
612 1 16 CYS QB 1 25 GLY HA3 3.612 . 5.243 2.484 2.011 3.606 . 0 0 "[ . 1]" 1
613 1 13 LYS HA 1 25 GLY HA3 3.169 . 4.424 4.578 4.465 4.655 0.231 7 0 "[ . 1]" 1
614 1 20 ILE HA 1 20 ILE HB 2.838 . 3.844 2.450 2.394 2.515 . 0 0 "[ . 1]" 1
615 1 28 MET HA 1 28 MET HB3 2.994 . 4.114 2.588 2.444 2.656 . 0 0 "[ . 1]" 1
616 1 17 LEU HB2 1 23 ILE HA 3.558 . 5.140 4.113 3.350 4.738 . 0 0 "[ . 1]" 1
617 1 5 ARG HA 1 5 ARG QB 2.434 . 3.175 2.298 2.164 2.496 . 0 0 "[ . 1]" 1
618 1 33 LYS HA 1 33 LYS QB 2.374 . 3.078 2.245 2.157 2.299 . 0 0 "[ . 1]" 1
619 1 26 LYS HA 1 26 LYS HD3 2.666 . 3.554 2.752 2.002 3.702 0.148 4 0 "[ . 1]" 1
620 1 32 CYS HA 1 33 LYS QB 3.813 . 5.631 4.148 3.851 4.543 . 0 0 "[ . 1]" 1
621 1 28 MET HB2 1 32 CYS HA 4.261 . 6.531 3.299 2.685 3.804 . 0 0 "[ . 1]" 1
622 1 20 ILE HA 1 20 ILE HG13 3.545 . 5.116 3.689 3.649 3.734 . 0 0 "[ . 1]" 1
623 1 20 ILE HA 1 20 ILE HG12 3.779 . 5.564 3.743 3.692 3.785 . 0 0 "[ . 1]" 1
624 1 16 CYS HA 1 19 ALA MB 2.452 . 3.204 2.178 1.900 2.485 . 0 0 "[ . 1]" 1
625 1 16 CYS HA 1 20 ILE HG13 4.004 . 6.008 5.349 4.927 5.848 . 0 0 "[ . 1]" 1
626 1 16 CYS HA 1 20 ILE HG12 4.014 . 6.028 4.147 3.772 4.367 . 0 0 "[ . 1]" 1
627 1 17 LEU HG 1 23 ILE HA 4.676 . 7.409 4.807 3.376 6.148 . 0 0 "[ . 1]" 1
628 1 13 LYS HG2 1 23 ILE HA 4.304 . 6.619 4.931 4.715 5.225 . 0 0 "[ . 1]" 1
629 1 20 ILE HA 1 20 ILE MG 2.392 . 3.107 2.356 2.297 2.433 . 0 0 "[ . 1]" 1
630 1 22 SER HA 1 23 ILE MG 3.516 . 5.061 3.507 3.432 3.656 . 0 0 "[ . 1]" 1
631 1 23 ILE HA 1 23 ILE MD 2.964 . 4.062 4.166 4.161 4.170 0.108 4 0 "[ . 1]" 1
632 1 23 ILE HA 1 23 ILE MG 2.120 . 2.682 2.325 2.267 2.379 . 0 0 "[ . 1]" 1
633 1 23 ILE HA 1 23 ILE HG13 4.051 . 6.102 3.686 3.661 3.703 . 0 0 "[ . 1]" 1
634 1 17 LEU QD 1 23 ILE HA 3.176 . 4.437 3.851 3.549 4.148 . 0 0 "[ . 1]" 1
635 1 10 VAL QG 1 11 GLU HA 3.036 . 4.188 3.172 2.959 3.593 . 0 0 "[ . 1]" 1
636 1 19 ALA HA 1 19 ALA MB 1.998 . 2.497 2.126 2.123 2.129 . 0 0 "[ . 1]" 1
637 1 16 CYS QB 1 17 LEU HA 3.310 . 4.680 4.062 3.894 4.599 . 0 0 "[ . 1]" 1
638 1 12 CYS HB2 1 13 LYS HA 4.234 . 6.475 4.881 4.522 5.734 . 0 0 "[ . 1]" 1
639 1 14 GLN HA 1 14 GLN HG2 2.826 . 3.825 3.042 2.630 3.628 . 0 0 "[ . 1]" 1
640 1 14 GLN HA 1 14 GLN HG3 2.960 . 4.055 3.572 2.385 3.775 . 0 0 "[ . 1]" 1
641 1 11 GLU HA 1 11 GLU HB2 2.850 . 3.865 2.959 2.756 3.021 . 0 0 "[ . 1]" 1
642 1 11 GLU HA 1 11 GLU HB3 2.437 . 3.179 2.367 2.231 2.565 . 0 0 "[ . 1]" 1
643 1 30 LYS HA 1 30 LYS HB3 2.718 . 3.641 2.509 2.454 2.569 . 0 0 "[ . 1]" 1
644 1 30 LYS HA 1 30 LYS HB2 2.596 . 3.438 3.013 3.000 3.019 . 0 0 "[ . 1]" 1
645 1 15 LYS HA 1 15 LYS HB3 2.498 . 3.278 2.814 2.517 2.958 . 0 0 "[ . 1]" 1
646 1 19 ALA HA 1 33 LYS QB 4.519 . 7.072 6.624 6.005 6.819 . 0 0 "[ . 1]" 1
647 1 14 GLN HA 1 17 LEU HB3 2.575 . 3.404 2.953 2.445 3.470 0.066 1 0 "[ . 1]" 1
648 1 14 GLN HA 1 17 LEU HB2 2.720 . 3.645 2.448 2.232 2.588 . 0 0 "[ . 1]" 1
649 1 17 LEU HA 1 17 LEU HB3 2.596 . 3.438 2.942 2.761 3.011 . 0 0 "[ . 1]" 1
650 1 14 GLN HA 1 17 LEU HG 3.346 . 4.745 4.571 3.793 4.839 0.094 4 0 "[ . 1]" 1
651 1 17 LEU HG 1 21 GLY HA2 3.770 . 5.546 3.353 2.432 4.813 . 0 0 "[ . 1]" 1
652 1 13 LYS HA 1 13 LYS HG3 2.881 . 3.918 3.881 3.801 3.917 . 0 0 "[ . 1]" 1
653 1 10 VAL HA 1 13 LYS HG3 2.691 . 3.596 3.335 2.687 3.651 0.055 10 0 "[ . 1]" 1
654 1 7 SER HB3 1 8 ALA MB 3.997 . 5.994 4.928 4.212 5.596 . 0 0 "[ . 1]" 1
655 1 20 ILE HG13 1 22 SER QB 2.792 . 3.766 2.432 2.169 2.666 . 0 0 "[ . 1]" 1
656 1 20 ILE HG12 1 22 SER QB 3.386 . 4.670 2.974 2.656 3.259 . 0 0 "[ . 1]" 1
657 1 13 LYS HA 1 13 LYS HG2 2.792 . 3.767 3.127 2.972 3.388 . 0 0 "[ . 1]" 1
658 1 10 VAL HA 1 13 LYS HG2 3.093 . 4.289 3.250 2.817 3.629 . 0 0 "[ . 1]" 1
659 1 20 ILE HG13 1 21 GLY HA2 4.081 . 6.163 4.515 4.242 4.900 . 0 0 "[ . 1]" 1
660 1 19 ALA HA 1 20 ILE HG12 3.998 . 5.996 5.305 4.906 5.662 . 0 0 "[ . 1]" 1
661 1 19 ALA HA 1 20 ILE MG 3.412 . 4.867 4.012 3.877 4.132 . 0 0 "[ . 1]" 1
662 1 14 GLN HA 1 17 LEU QD 2.971 . 4.074 3.146 2.725 3.869 . 0 0 "[ . 1]" 1
663 1 17 LEU HA 1 17 LEU QD 2.770 . 3.041 2.420 1.868 2.835 . 0 0 "[ . 1]" 1
664 1 10 VAL HA 1 10 VAL QG 2.130 . 2.697 2.265 2.224 2.289 . 0 0 "[ . 1]" 1
665 1 20 ILE MD 1 22 SER QB 2.622 . 3.481 2.403 2.056 2.813 . 0 0 "[ . 1]" 1
666 1 17 LEU QD 1 21 GLY HA3 2.819 . 3.812 3.359 3.109 3.717 . 0 0 "[ . 1]" 1
667 1 17 LEU QD 1 21 GLY HA2 2.875 . 3.908 2.132 1.930 2.436 . 0 0 "[ . 1]" 1
668 1 22 SER QB 1 23 ILE MG 4.337 . 6.688 4.631 4.373 4.933 . 0 0 "[ . 1]" 1
669 1 20 ILE MD 1 34 CYS HB3 3.277 . 4.620 2.381 1.918 3.427 0.016 7 0 "[ . 1]" 1
670 1 20 ILE HG12 1 34 CYS HB3 6.743 . 12.427 3.417 2.441 4.890 . 0 0 "[ . 1]" 1
671 1 20 ILE HG13 1 34 CYS HB3 4.359 . 6.734 4.342 3.472 5.037 . 0 0 "[ . 1]" 1
672 1 19 ALA MB 1 34 CYS HB3 4.191 . 6.387 4.529 3.702 6.157 . 0 0 "[ . 1]" 1
673 1 5 ARG QB 1 5 ARG HD3 3.150 . 3.967 2.650 2.325 3.293 . 0 0 "[ . 1]" 1
674 1 5 ARG QB 1 5 ARG HD2 2.917 . 3.981 3.014 2.347 3.292 . 0 0 "[ . 1]" 1
675 1 4 MET ME 1 5 ARG HD3 4.658 . 7.370 6.749 4.308 7.750 0.380 3 0 "[ . 1]" 1
676 1 20 ILE HB 1 34 CYS HB3 5.258 . 8.714 5.607 4.899 7.003 . 0 0 "[ . 1]" 1
677 1 20 ILE HB 1 22 SER QB 4.119 . 6.240 4.592 4.375 4.926 . 0 0 "[ . 1]" 1
678 1 12 CYS HB2 1 25 GLY HA3 3.778 . 5.562 4.530 4.232 5.177 . 0 0 "[ . 1]" 1
679 1 16 CYS QB 1 34 CYS HB3 3.814 . 5.633 4.537 3.570 5.017 . 0 0 "[ . 1]" 1
680 1 16 CYS QB 1 19 ALA MB 6.021 . 10.553 3.819 3.042 4.225 . 0 0 "[ . 1]" 1
681 1 19 ALA MB 1 34 CYS HB2 3.433 . 4.906 3.515 2.350 4.773 . 0 0 "[ . 1]" 1
682 1 20 ILE HG13 1 34 CYS HB2 3.717 . 5.444 4.256 3.228 5.098 . 0 0 "[ . 1]" 1
683 1 12 CYS HB3 1 15 LYS HB2 4.749 . 7.568 6.757 6.050 7.289 . 0 0 "[ . 1]" 1
684 1 16 CYS QB 1 20 ILE MD 6.153 . 10.885 4.695 3.877 5.215 . 0 0 "[ . 1]" 1
685 1 20 ILE MD 1 34 CYS HB2 2.537 . 3.341 2.529 1.807 3.014 . 0 0 "[ . 1]" 1
686 1 16 CYS QB 1 23 ILE MG 5.413 . 9.076 4.473 3.876 5.605 . 0 0 "[ . 1]" 1
687 1 23 ILE MG 1 24 PHE HB2 5.010 . 8.147 6.154 6.076 6.247 . 0 0 "[ . 1]" 1
688 1 10 VAL QG 1 14 GLN HG3 4.651 . 7.355 2.957 2.297 4.849 . 0 0 "[ . 1]" 1
689 1 28 MET HG3 1 33 LYS HD3 3.613 . 5.245 3.219 2.148 4.385 . 0 0 "[ . 1]" 1
690 1 28 MET HB2 1 28 MET HG3 2.712 . 3.632 2.383 2.258 2.417 . 0 0 "[ . 1]" 1
691 1 28 MET HB2 1 28 MET HG2 2.304 . 2.968 2.469 2.430 2.635 . 0 0 "[ . 1]" 1
692 1 11 GLU HB3 1 11 GLU HG2 2.386 . 3.098 2.411 2.217 3.008 . 0 0 "[ . 1]" 1
693 1 30 LYS HB2 1 30 LYS HD3 3.344 . 4.742 3.136 2.498 3.718 . 0 0 "[ . 1]" 1
694 1 30 LYS HB2 1 30 LYS HD2 3.407 . 4.858 3.013 2.441 3.757 . 0 0 "[ . 1]" 1
695 1 8 ALA MB 1 11 GLU HB3 3.295 . 4.652 3.944 2.620 4.694 0.042 8 0 "[ . 1]" 1
696 1 8 ALA MB 1 11 GLU HG3 2.986 . 4.100 2.259 1.836 2.656 0.036 3 0 "[ . 1]" 1
697 1 20 ILE HG12 1 34 CYS HB2 3.290 . 4.643 2.999 2.247 3.627 . 0 0 "[ . 1]" 1
698 1 10 VAL QG 1 11 GLU HG3 3.612 . 3.958 3.246 2.430 4.223 0.265 9 0 "[ . 1]" 1
699 1 10 VAL QG 1 11 GLU HB2 3.769 . 5.544 4.607 3.749 5.365 . 0 0 "[ . 1]" 1
700 1 4 MET QB 1 8 ALA MB 3.007 . 4.137 3.319 2.844 3.854 . 0 0 "[ . 1]" 1
701 1 15 LYS HB2 1 15 LYS HG3 2.478 . 3.246 2.602 2.390 3.019 . 0 0 "[ . 1]" 1
702 1 23 ILE HB 1 23 ILE HG13 3.000 . 4.125 2.493 2.477 2.509 . 0 0 "[ . 1]" 1
703 1 17 LEU QD 1 23 ILE HB 3.642 . 5.300 4.369 4.133 4.621 . 0 0 "[ . 1]" 1
704 1 23 ILE HB 1 23 ILE MG 2.207 . 2.816 2.125 2.121 2.128 . 0 0 "[ . 1]" 1
705 1 23 ILE HB 1 23 ILE MD 2.552 . 3.366 2.390 2.366 2.409 . 0 0 "[ . 1]" 1
706 1 17 LEU HB3 1 17 LEU QD 2.731 . 3.425 2.156 2.107 2.342 . 0 0 "[ . 1]" 1
707 1 17 LEU HB2 1 17 LEU QD 2.528 . 3.327 2.218 2.182 2.301 . 0 0 "[ . 1]" 1
708 1 19 ALA MB 1 20 ILE MG 2.395 . 3.112 2.606 2.516 2.794 . 0 0 "[ . 1]" 1
709 1 17 LEU QD 1 17 LEU HG 3.057 . 4.225 1.893 1.889 1.896 0.010 8 0 "[ . 1]" 1
710 1 20 ILE MD 1 20 ILE HG13 2.267 . 2.910 2.118 2.114 2.120 . 0 0 "[ . 1]" 1
711 1 23 ILE MD 1 23 ILE HG13 1.885 . 2.329 2.114 2.111 2.117 . 0 0 "[ . 1]" 1
712 1 23 ILE HG12 1 23 ILE MG 3.030 . 4.178 2.354 2.340 2.378 . 0 0 "[ . 1]" 1
713 1 23 ILE MD 1 23 ILE HG12 2.023 . 2.535 2.113 2.109 2.115 . 0 0 "[ . 1]" 1
714 1 23 ILE HB 1 23 ILE HG12 2.858 . 3.879 3.024 3.022 3.028 . 0 0 "[ . 1]" 1
715 1 8 ALA MB 1 11 GLU HG2 3.807 . 5.619 2.707 1.895 3.356 0.100 9 0 "[ . 1]" 1
716 1 16 CYS QB 1 20 ILE HG12 4.161 . 6.325 4.460 3.462 5.140 . 0 0 "[ . 1]" 1
717 1 16 CYS QB 1 20 ILE HG13 4.116 . 6.234 5.026 3.948 5.650 . 0 0 "[ . 1]" 1
718 1 14 GLN HG3 1 17 LEU QD 4.350 . 6.715 5.158 3.635 6.368 . 0 0 "[ . 1]" 1
719 1 14 GLN HG2 1 17 LEU QD 4.390 . 6.799 4.777 3.950 5.676 . 0 0 "[ . 1]" 1
720 1 19 ALA MB 1 22 SER QB 4.297 . 6.605 4.465 4.242 4.678 . 0 0 "[ . 1]" 1
721 1 30 LYS H 1 30 LYS HA 2.019 . 2.529 2.260 2.248 2.273 . 0 0 "[ . 1]" 1
722 1 22 SER HA 1 23 ILE H 2.573 . 3.401 2.349 2.184 2.501 . 0 0 "[ . 1]" 1
723 1 13 LYS HA 1 24 PHE QD 4.191 . 6.387 5.910 5.788 6.061 . 0 0 "[ . 1]" 1
724 1 17 LEU H 1 22 SER QB 4.587 . 7.217 5.043 4.874 5.438 . 0 0 "[ . 1]" 1
725 1 19 ALA H 1 34 CYS HB2 4.469 . 6.966 6.279 4.800 7.207 0.241 8 0 "[ . 1]" 1
726 1 17 LEU QD 1 22 SER HA 3.465 . 4.966 4.192 3.424 4.695 . 0 0 "[ . 1]" 1
727 1 8 ALA MB 1 11 GLU HB2 4.333 . 6.680 3.780 2.187 4.348 . 0 0 "[ . 1]" 1
728 1 20 ILE HB 1 20 ILE HG13 2.774 . 3.736 2.484 2.465 2.500 . 0 0 "[ . 1]" 1
729 1 23 ILE HG12 1 24 PHE HB2 4.713 . 7.489 5.537 5.191 5.767 . 0 0 "[ . 1]" 1
730 1 23 ILE HA 1 23 ILE HG12 3.475 . 4.984 3.741 3.678 3.782 . 0 0 "[ . 1]" 1
731 1 23 ILE HA 1 23 ILE HB 2.285 . 2.938 2.451 2.409 2.516 . 0 0 "[ . 1]" 1
732 1 29 ASN HA 1 30 LYS HD3 4.678 . 7.414 5.896 4.866 6.437 . 0 0 "[ . 1]" 1
733 1 28 MET HB3 1 29 ASN HA 4.615 . 7.277 4.778 4.429 5.184 . 0 0 "[ . 1]" 1
734 1 29 ASN HA 1 30 LYS HB3 4.319 . 6.650 5.623 5.527 5.691 . 0 0 "[ . 1]" 1
735 1 29 ASN HA 1 30 LYS HB2 4.520 . 7.074 4.334 4.202 4.463 . 0 0 "[ . 1]" 1
736 1 29 ASN HA 1 29 ASN HB2 2.247 . 2.878 2.915 2.476 3.030 0.152 4 0 "[ . 1]" 1
737 1 16 CYS QB 1 23 ILE HA 4.232 . 6.471 3.148 2.491 4.732 . 0 0 "[ . 1]" 1
738 1 29 ASN HA 1 30 LYS HA 3.757 . 5.522 4.621 4.432 4.771 . 0 0 "[ . 1]" 1
739 1 2 MET HA 1 3 ASP HB3 4.053 . 6.107 4.893 4.650 5.100 . 0 0 "[ . 1]" 1
740 1 2 MET HA 1 3 ASP HB2 4.014 . 6.028 4.491 4.400 4.578 . 0 0 "[ . 1]" 1
741 1 28 MET HA 1 29 ASN H 2.505 . 3.289 2.190 2.136 2.317 . 0 0 "[ . 1]" 1
742 1 5 ARG H 1 5 ARG QB 2.399 . 3.118 2.658 2.067 3.019 . 0 0 "[ . 1]" 1
743 1 16 CYS QB 1 22 SER H 4.157 . 6.317 3.537 2.752 4.198 . 0 0 "[ . 1]" 1
744 1 6 CYS H 1 31 LYS HA 2.914 . 3.975 3.129 1.865 3.918 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 1.074
_Distance_constraint_stats_list.Viol_max 0.040
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0134
_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 26 LYS 0.080 0.040 3 0 "[ . 1]"
1 28 MET 0.027 0.017 5 0 "[ . 1]"
1 31 LYS 0.027 0.017 5 0 "[ . 1]"
1 33 LYS 0.080 0.040 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 LYS H 1 33 LYS O 2.200 . 2.700 1.916 1.690 2.569 0.040 3 0 "[ . 1]" 2
2 1 26 LYS O 1 33 LYS H 2.200 . 2.700 1.811 1.711 1.975 0.019 4 0 "[ . 1]" 2
3 1 28 MET H 1 31 LYS O 2.200 . 2.700 1.890 1.713 2.242 0.017 5 0 "[ . 1]" 2
4 1 28 MET O 1 31 LYS H 2.200 . 2.700 2.381 1.995 2.610 . 0 0 "[ . 1]" 2
5 1 28 MET N 1 31 LYS O 3.200 2.516 3.927 2.811 2.657 3.097 . 0 0 "[ . 1]" 2
6 1 26 LYS N 1 33 LYS O 3.200 2.516 3.927 2.789 2.582 3.378 . 0 0 "[ . 1]" 2
7 1 28 MET O 1 31 LYS N 3.200 2.516 3.927 3.108 2.888 3.245 . 0 0 "[ . 1]" 2
8 1 26 LYS O 1 33 LYS N 3.200 2.516 3.927 2.714 2.644 2.822 . 0 0 "[ . 1]" 2
stop_
save_
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