NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
386085 |
1ldl   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ldl
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 317
_Distance_constraint_stats_list.Viol_count 613
_Distance_constraint_stats_list.Viol_total 698.475
_Distance_constraint_stats_list.Viol_max 0.353
_Distance_constraint_stats_list.Viol_rms 0.0577
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0220
_Distance_constraint_stats_list.Viol_average_violations_only 0.1139
_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 3 ALA 0.026 0.026 7 0 "[ . 1]"
1 4 VAL 0.283 0.089 2 0 "[ . 1]"
1 5 GLY 0.157 0.068 6 0 "[ . 1]"
1 6 ASP 0.095 0.047 7 0 "[ . 1]"
1 7 ARG 1.209 0.151 1 0 "[ . 1]"
1 8 CYS 2.240 0.174 4 0 "[ . 1]"
1 9 GLU 0.296 0.146 6 0 "[ . 1]"
1 10 ARG 0.152 0.064 8 0 "[ . 1]"
1 11 ASN 1.058 0.230 3 0 "[ . 1]"
1 12 GLU 2.053 0.185 3 0 "[ . 1]"
1 13 PHE 4.564 0.292 10 0 "[ . 1]"
1 14 GLN 0.269 0.092 10 0 "[ . 1]"
1 15 CYS 3.351 0.323 7 0 "[ . 1]"
1 16 GLN 1.391 0.203 6 0 "[ . 1]"
1 17 ASP 7.939 0.274 3 0 "[ . 1]"
1 18 GLY 7.231 0.323 7 0 "[ . 1]"
1 19 LYS 3.112 0.263 10 0 "[ . 1]"
1 20 CYS 4.939 0.288 5 0 "[ . 1]"
1 21 ILE 2.269 0.180 9 0 "[ . 1]"
1 22 SER 2.372 0.166 6 0 "[ . 1]"
1 23 TYR 4.889 0.276 1 0 "[ . 1]"
1 24 LYS 5.870 0.285 1 0 "[ . 1]"
1 25 TRP 4.429 0.225 8 0 "[ . 1]"
1 26 VAL 0.525 0.106 5 0 "[ . 1]"
1 27 CYS 1.359 0.103 3 0 "[ . 1]"
1 28 ASP 0.113 0.033 9 0 "[ . 1]"
1 29 GLY 2.449 0.248 1 0 "[ . 1]"
1 30 SER 0.770 0.203 1 0 "[ . 1]"
1 31 ALA 0.330 0.203 1 0 "[ . 1]"
1 32 GLU 3.139 0.208 5 0 "[ . 1]"
1 33 CYS 1.915 0.307 3 0 "[ . 1]"
1 34 GLN 0.000 0.000 . 0 "[ . 1]"
1 35 ASP 0.000 0.000 . 0 "[ . 1]"
1 36 GLY 2.425 0.257 5 0 "[ . 1]"
1 37 SER 0.105 0.083 7 0 "[ . 1]"
1 38 ASP 3.150 0.193 7 0 "[ . 1]"
1 39 GLU 1.166 0.109 3 0 "[ . 1]"
1 40 SER 1.019 0.117 1 0 "[ . 1]"
1 41 GLN 2.328 0.257 9 0 "[ . 1]"
1 42 GLU 1.861 0.276 7 0 "[ . 1]"
1 43 THR 3.155 0.276 7 0 "[ . 1]"
1 44 CYS 2.889 0.306 6 0 "[ . 1]"
1 45 LEU 3.357 0.353 8 0 "[ . 1]"
1 46 SER 0.077 0.063 7 0 "[ . 1]"
1 47 VAL 0.177 0.069 1 0 "[ . 1]"
1 48 THR 0.100 0.069 1 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 3 ALA HA 1 4 VAL H 0.000 . 3.500 2.458 2.182 3.526 0.026 7 0 "[ . 1]" 1
2 1 3 ALA MB 1 4 VAL H 0.000 . 7.800 2.894 2.435 3.646 . 0 0 "[ . 1]" 1
3 1 4 VAL H 1 4 VAL HB 0.000 . 3.500 3.025 2.602 3.589 0.089 2 0 "[ . 1]" 1
4 1 4 VAL HA 1 5 GLY H 0.000 . 3.500 2.666 2.196 3.568 0.068 6 0 "[ . 1]" 1
5 1 4 VAL HB 1 5 GLY H 0.000 . 5.000 3.743 2.004 4.612 . 0 0 "[ . 1]" 1
6 1 4 VAL QG 1 5 GLY H 0.000 . 9.000 2.587 1.900 3.396 . 0 0 "[ . 1]" 1
7 1 5 GLY QA 1 6 ASP H 0.000 . 3.700 2.382 2.159 2.775 . 0 0 "[ . 1]" 1
8 1 6 ASP HA 1 7 ARG H 0.000 . 3.500 2.708 2.196 3.547 0.047 7 0 "[ . 1]" 1
9 1 6 ASP QB 1 7 ARG H 0.000 . 4.950 3.056 1.924 4.031 . 0 0 "[ . 1]" 1
10 1 7 ARG H 1 7 ARG HB2 0.000 . 3.500 2.736 2.181 3.651 0.151 1 0 "[ . 1]" 1
11 1 7 ARG H 1 7 ARG HB3 0.000 . 3.500 3.307 2.657 3.606 0.106 5 0 "[ . 1]" 1
12 1 7 ARG H 1 7 ARG QD 0.000 . 5.500 4.043 3.687 4.827 . 0 0 "[ . 1]" 1
13 1 7 ARG H 1 7 ARG QG 0.000 . 4.950 2.569 1.919 3.980 . 0 0 "[ . 1]" 1
14 1 7 ARG HA 1 8 CYS H 0.000 . 2.700 2.608 2.483 2.757 0.057 7 0 "[ . 1]" 1
15 1 7 ARG HB2 1 8 CYS H 0.000 . 3.500 3.103 1.997 3.581 0.081 7 0 "[ . 1]" 1
16 1 7 ARG HB3 1 8 CYS H 0.000 . 3.500 2.593 2.013 3.555 0.055 1 0 "[ . 1]" 1
17 1 7 ARG QG 1 8 CYS H 0.000 . 4.950 3.488 2.402 4.083 . 0 0 "[ . 1]" 1
18 1 8 CYS H 1 8 CYS HB2 0.000 . 2.700 2.513 2.368 2.609 . 0 0 "[ . 1]" 1
19 1 8 CYS H 1 8 CYS HB3 0.000 . 3.500 3.625 3.596 3.674 0.174 4 0 "[ . 1]" 1
20 1 8 CYS HA 1 9 GLU H 0.000 . 2.700 2.575 2.331 2.726 0.026 10 0 "[ . 1]" 1
21 1 8 CYS HA 1 20 CYS HB3 0.000 . 5.000 4.397 3.908 4.917 . 0 0 "[ . 1]" 1
22 1 8 CYS HB2 1 9 GLU H 0.000 . 3.500 3.337 2.953 3.646 0.146 6 0 "[ . 1]" 1
23 1 8 CYS HB2 1 12 GLU HG2 0.000 . 5.000 4.148 3.247 5.017 0.017 10 0 "[ . 1]" 1
24 1 8 CYS HB3 1 9 GLU H 0.000 . 2.700 2.274 1.998 2.716 0.016 6 0 "[ . 1]" 1
25 1 8 CYS HB3 1 12 GLU HG2 0.000 . 4.500 2.791 1.917 4.103 . 0 0 "[ . 1]" 1
26 1 8 CYS HB3 1 20 CYS HB2 0.000 . 3.500 2.990 2.392 3.506 0.006 2 0 "[ . 1]" 1
27 1 8 CYS HB3 1 20 CYS HB3 0.000 . 2.700 2.622 2.279 2.847 0.147 5 0 "[ . 1]" 1
28 1 9 GLU H 1 9 GLU HG2 0.000 . 3.500 2.940 2.186 3.498 . 0 0 "[ . 1]" 1
29 1 9 GLU H 1 9 GLU HG3 0.000 . 3.500 2.898 2.221 3.352 . 0 0 "[ . 1]" 1
30 1 9 GLU H 1 12 GLU HG2 0.000 . 5.000 3.004 1.973 4.593 . 0 0 "[ . 1]" 1
31 1 9 GLU H 1 12 GLU HG3 0.000 . 5.000 3.428 2.603 4.735 . 0 0 "[ . 1]" 1
32 1 9 GLU H 1 20 CYS HB3 0.000 . 6.000 4.357 3.672 4.793 . 0 0 "[ . 1]" 1
33 1 9 GLU HA 1 10 ARG H 0.000 . 2.700 2.591 2.343 2.735 0.035 4 0 "[ . 1]" 1
34 1 9 GLU HG3 1 10 ARG H 0.000 . 5.000 4.350 3.177 4.944 . 0 0 "[ . 1]" 1
35 1 10 ARG HA 1 10 ARG QD 0.000 . 4.950 3.812 2.370 4.308 . 0 0 "[ . 1]" 1
36 1 10 ARG HA 1 11 ASN H 0.000 . 3.500 2.984 2.290 3.564 0.064 8 0 "[ . 1]" 1
37 1 10 ARG QB 1 11 ASN H 0.000 . 4.950 2.846 1.932 3.899 . 0 0 "[ . 1]" 1
38 1 10 ARG QG 1 11 ASN H 0.000 . 4.950 3.898 2.171 4.424 . 0 0 "[ . 1]" 1
39 1 11 ASN H 1 11 ASN HB2 0.000 . 3.500 2.897 2.228 3.656 0.156 1 0 "[ . 1]" 1
40 1 11 ASN H 1 11 ASN HB3 0.000 . 3.500 3.376 2.703 3.730 0.230 3 0 "[ . 1]" 1
41 1 11 ASN H 1 12 GLU H 0.000 . 3.500 3.230 2.613 3.685 0.185 3 0 "[ . 1]" 1
42 1 11 ASN HA 1 23 TYR QD 0.000 . 7.000 5.264 4.665 5.697 . 0 0 "[ . 1]" 1
43 1 12 GLU H 1 12 GLU HG2 0.000 . 5.000 3.830 2.046 4.991 . 0 0 "[ . 1]" 1
44 1 12 GLU H 1 12 GLU HG3 0.000 . 5.000 3.009 1.859 4.628 . 0 0 "[ . 1]" 1
45 1 12 GLU H 1 13 PHE H 0.000 . 5.000 4.480 4.323 4.689 . 0 0 "[ . 1]" 1
46 1 12 GLU HA 1 13 PHE H 0.000 . 3.500 2.744 2.635 2.870 . 0 0 "[ . 1]" 1
47 1 12 GLU HA 1 22 SER HA 0.000 . 2.700 2.789 2.660 2.854 0.154 5 0 "[ . 1]" 1
48 1 12 GLU HA 1 23 TYR QD 0.000 . 5.500 4.098 3.222 4.370 . 0 0 "[ . 1]" 1
49 1 12 GLU QB 1 22 SER HA 0.000 . 4.950 3.539 2.738 4.549 . 0 0 "[ . 1]" 1
50 1 12 GLU HG2 1 13 PHE H 0.000 . 5.000 3.923 2.211 4.668 . 0 0 "[ . 1]" 1
51 1 12 GLU HG2 1 20 CYS HB2 0.000 . 5.000 2.992 2.022 4.192 . 0 0 "[ . 1]" 1
52 1 12 GLU HG2 1 20 CYS HB3 0.000 . 5.000 3.019 1.978 5.061 0.061 10 0 "[ . 1]" 1
53 1 12 GLU HG2 1 21 ILE H 0.000 . 5.000 4.067 2.203 5.013 0.013 10 0 "[ . 1]" 1
54 1 12 GLU HG3 1 13 PHE H 0.000 . 5.000 4.160 2.391 4.702 . 0 0 "[ . 1]" 1
55 1 12 GLU HG3 1 22 SER HA 0.000 . 5.000 4.651 2.575 5.166 0.166 6 0 "[ . 1]" 1
56 1 13 PHE H 1 13 PHE HB2 0.000 . 3.500 3.467 3.376 3.553 0.053 9 0 "[ . 1]" 1
57 1 13 PHE H 1 13 PHE HB3 0.000 . 3.500 2.636 2.462 2.794 . 0 0 "[ . 1]" 1
58 1 13 PHE H 1 20 CYS HA 0.000 . 3.500 3.511 3.344 3.642 0.142 8 0 "[ . 1]" 1
59 1 13 PHE H 1 20 CYS HB2 0.000 . 5.000 4.266 3.534 4.940 . 0 0 "[ . 1]" 1
60 1 13 PHE H 1 20 CYS HB3 0.000 . 5.000 3.964 3.278 4.512 . 0 0 "[ . 1]" 1
61 1 13 PHE H 1 21 ILE HG12 0.000 . 5.000 4.106 3.830 4.507 . 0 0 "[ . 1]" 1
62 1 13 PHE H 1 21 ILE HG13 0.000 . 5.000 2.563 2.254 2.795 . 0 0 "[ . 1]" 1
63 1 13 PHE H 1 22 SER HA 0.000 . 5.000 4.500 4.391 4.652 . 0 0 "[ . 1]" 1
64 1 13 PHE H 1 23 TYR H 0.000 . 5.000 4.793 4.708 4.976 . 0 0 "[ . 1]" 1
65 1 13 PHE H 1 26 VAL MG1 0.000 . 6.000 4.801 4.595 5.024 . 0 0 "[ . 1]" 1
66 1 13 PHE HA 1 13 PHE HB2 0.000 . 2.700 2.344 2.288 2.378 . 0 0 "[ . 1]" 1
67 1 13 PHE HA 1 13 PHE HB3 0.000 . 2.700 2.977 2.938 2.992 0.292 10 0 "[ . 1]" 1
68 1 13 PHE HA 1 14 GLN H 0.000 . 2.700 2.223 2.205 2.279 . 0 0 "[ . 1]" 1
69 1 13 PHE HA 1 23 TYR QE 0.000 . 7.000 4.558 4.066 5.033 . 0 0 "[ . 1]" 1
70 1 13 PHE HB2 1 21 ILE H 0.000 . 5.000 5.020 4.874 5.106 0.106 8 0 "[ . 1]" 1
71 1 13 PHE HB2 1 23 TYR QD 0.000 . 5.500 2.485 2.003 2.876 . 0 0 "[ . 1]" 1
72 1 13 PHE HB2 1 23 TYR QE 0.000 . 7.000 3.411 3.036 3.823 . 0 0 "[ . 1]" 1
73 1 13 PHE HB2 1 26 VAL MG2 0.000 . 7.800 2.920 2.009 3.454 . 0 0 "[ . 1]" 1
74 1 13 PHE HB3 1 21 ILE H 0.000 . 5.000 3.687 3.507 3.823 . 0 0 "[ . 1]" 1
75 1 13 PHE HB3 1 23 TYR QD 0.000 . 5.500 3.727 3.376 4.257 . 0 0 "[ . 1]" 1
76 1 13 PHE HB3 1 23 TYR QE 0.000 . 7.000 5.004 4.624 5.478 . 0 0 "[ . 1]" 1
77 1 13 PHE HB3 1 26 VAL MG1 0.000 . 7.800 2.747 2.373 2.925 . 0 0 "[ . 1]" 1
78 1 13 PHE QD 1 14 GLN H 0.000 . 5.500 3.351 2.874 3.753 . 0 0 "[ . 1]" 1
79 1 13 PHE QD 1 15 CYS H 0.000 . 7.000 4.198 3.908 4.671 . 0 0 "[ . 1]" 1
80 1 13 PHE QD 1 15 CYS HA 0.000 . 7.000 3.680 3.264 4.086 . 0 0 "[ . 1]" 1
81 1 13 PHE QD 1 21 ILE H 0.000 . 5.500 4.354 3.897 4.656 . 0 0 "[ . 1]" 1
82 1 13 PHE QD 1 21 ILE MD 0.000 . 7.440 2.313 1.934 3.310 . 0 0 "[ . 1]" 1
83 1 13 PHE QD 1 21 ILE HG12 0.000 . 4.700 2.326 2.128 2.625 . 0 0 "[ . 1]" 1
84 1 13 PHE QD 1 21 ILE HG13 0.000 . 4.700 2.716 2.414 3.086 . 0 0 "[ . 1]" 1
85 1 13 PHE QD 1 26 VAL MG1 0.000 . 8.400 2.928 2.265 3.279 . 0 0 "[ . 1]" 1
86 1 13 PHE QD 1 26 VAL MG2 0.000 . 8.400 2.661 2.077 3.049 . 0 0 "[ . 1]" 1
87 1 13 PHE QD 1 38 ASP HA 0.000 . 5.500 4.293 3.992 4.675 . 0 0 "[ . 1]" 1
88 1 13 PHE QD 1 38 ASP HB2 0.000 . 5.500 4.401 4.009 4.899 . 0 0 "[ . 1]" 1
89 1 13 PHE QD 1 38 ASP HB3 0.000 . 5.500 3.699 3.070 5.039 . 0 0 "[ . 1]" 1
90 1 13 PHE QD 1 43 THR MG 0.000 . 8.400 2.999 1.999 4.332 . 0 0 "[ . 1]" 1
91 1 13 PHE QE 1 15 CYS H 0.000 . 7.000 4.499 4.217 4.854 . 0 0 "[ . 1]" 1
92 1 13 PHE QE 1 15 CYS HA 0.000 . 5.500 2.500 1.980 3.067 . 0 0 "[ . 1]" 1
93 1 13 PHE QE 1 21 ILE MD 0.000 . 8.400 3.769 3.279 4.591 . 0 0 "[ . 1]" 1
94 1 13 PHE QE 1 26 VAL MG1 0.000 . 10.200 4.001 2.960 4.540 . 0 0 "[ . 1]" 1
95 1 13 PHE QE 1 26 VAL MG2 0.000 . 10.200 3.008 2.453 4.379 . 0 0 "[ . 1]" 1
96 1 13 PHE QE 1 38 ASP H 0.000 . 7.000 4.172 3.361 4.709 . 0 0 "[ . 1]" 1
97 1 13 PHE QE 1 38 ASP HA 0.000 . 4.700 2.469 1.966 3.194 . 0 0 "[ . 1]" 1
98 1 13 PHE QE 1 38 ASP HB2 0.000 . 5.500 3.736 3.264 4.520 . 0 0 "[ . 1]" 1
99 1 13 PHE QE 1 38 ASP HB3 0.000 . 5.500 3.010 2.393 4.808 . 0 0 "[ . 1]" 1
100 1 13 PHE QE 1 43 THR MG 0.000 . 7.440 2.141 1.933 2.748 . 0 0 "[ . 1]" 1
101 1 13 PHE HZ 1 38 ASP HA 0.000 . 2.700 2.775 2.736 2.846 0.146 10 0 "[ . 1]" 1
102 1 13 PHE HZ 1 43 THR MG 0.000 . 5.040 2.922 1.944 3.942 . 0 0 "[ . 1]" 1
103 1 14 GLN HA 1 20 CYS HA 0.000 . 2.700 2.604 2.293 2.792 0.092 10 0 "[ . 1]" 1
104 1 14 GLN HE21 1 18 GLY HA2 0.000 . 5.000 3.404 2.035 4.475 . 0 0 "[ . 1]" 1
105 1 14 GLN HE22 1 18 GLY HA2 0.000 . 5.000 4.362 3.668 5.010 0.010 3 0 "[ . 1]" 1
106 1 14 GLN HG2 1 15 CYS H 0.000 . 3.500 3.260 2.981 3.448 . 0 0 "[ . 1]" 1
107 1 14 GLN HG2 1 18 GLY HA2 0.000 . 3.500 2.741 2.027 3.518 0.018 7 0 "[ . 1]" 1
108 1 14 GLN HG3 1 18 GLY HA2 0.000 . 3.500 3.337 2.607 3.519 0.019 10 0 "[ . 1]" 1
109 1 15 CYS H 1 15 CYS HB2 0.000 . 3.500 2.170 2.099 2.509 . 0 0 "[ . 1]" 1
110 1 15 CYS H 1 15 CYS HB3 0.000 . 3.500 3.307 3.045 3.590 0.090 10 0 "[ . 1]" 1
111 1 15 CYS H 1 20 CYS HA 0.000 . 3.500 3.408 3.140 3.560 0.060 7 0 "[ . 1]" 1
112 1 15 CYS HB2 1 17 ASP H 0.000 . 3.500 3.634 3.512 3.696 0.196 7 0 "[ . 1]" 1
113 1 15 CYS HB2 1 18 GLY H 0.000 . 3.500 3.447 2.714 3.823 0.323 7 0 "[ . 1]" 1
114 1 15 CYS HB2 1 19 LYS H 0.000 . 3.500 3.057 2.017 3.517 0.017 7 0 "[ . 1]" 1
115 1 15 CYS HB3 1 17 ASP H 0.000 . 3.500 2.189 1.979 2.844 . 0 0 "[ . 1]" 1
116 1 15 CYS HB3 1 19 LYS H 0.000 . 3.500 3.556 3.367 3.629 0.129 10 0 "[ . 1]" 1
117 1 15 CYS HB3 1 19 LYS QB 0.000 . 4.950 4.220 3.854 4.536 . 0 0 "[ . 1]" 1
118 1 16 GLN H 1 16 GLN HA 0.000 . 2.700 2.789 2.330 2.903 0.203 6 0 "[ . 1]" 1
119 1 16 GLN H 1 16 GLN QG 0.000 . 4.950 3.367 1.965 4.056 . 0 0 "[ . 1]" 1
120 1 16 GLN H 1 17 ASP H 0.000 . 3.500 2.676 2.366 2.888 . 0 0 "[ . 1]" 1
121 1 16 GLN H 1 37 SER HB2 0.000 . 5.000 2.589 1.966 5.083 0.083 7 0 "[ . 1]" 1
122 1 16 GLN H 1 37 SER HB3 0.000 . 5.000 2.938 2.039 4.980 . 0 0 "[ . 1]" 1
123 1 16 GLN HA 1 17 ASP H 0.000 . 3.500 3.490 3.475 3.543 0.043 10 0 "[ . 1]" 1
124 1 17 ASP H 1 17 ASP HA 0.000 . 2.700 2.882 2.826 2.928 0.228 5 0 "[ . 1]" 1
125 1 17 ASP H 1 17 ASP HB2 0.000 . 3.500 3.611 3.586 3.661 0.161 5 0 "[ . 1]" 1
126 1 17 ASP H 1 17 ASP HB3 0.000 . 2.700 2.556 2.410 2.719 0.019 5 0 "[ . 1]" 1
127 1 17 ASP H 1 18 GLY H 0.000 . 2.700 2.469 2.216 2.692 . 0 0 "[ . 1]" 1
128 1 17 ASP HA 1 17 ASP HB2 0.000 . 2.700 2.403 2.350 2.455 . 0 0 "[ . 1]" 1
129 1 17 ASP HA 1 17 ASP HB3 0.000 . 2.700 2.506 2.449 2.581 . 0 0 "[ . 1]" 1
130 1 17 ASP HB2 1 18 GLY H 0.000 . 3.500 3.656 3.578 3.755 0.255 7 0 "[ . 1]" 1
131 1 17 ASP HB3 1 18 GLY H 0.000 . 3.500 3.703 3.601 3.774 0.274 3 0 "[ . 1]" 1
132 1 18 GLY H 1 18 GLY HA3 0.000 . 2.700 2.949 2.910 2.965 0.265 9 0 "[ . 1]" 1
133 1 18 GLY H 1 19 LYS H 0.000 . 2.700 1.922 1.877 1.986 . 0 0 "[ . 1]" 1
134 1 18 GLY HA2 1 19 LYS H 0.000 . 3.500 3.133 2.939 3.492 . 0 0 "[ . 1]" 1
135 1 19 LYS H 1 19 LYS HA 0.000 . 2.700 2.929 2.835 2.963 0.263 10 0 "[ . 1]" 1
136 1 19 LYS H 1 19 LYS QD 0.000 . 4.950 4.152 3.372 4.540 . 0 0 "[ . 1]" 1
137 1 19 LYS H 1 19 LYS HG2 0.000 . 5.000 4.792 4.627 4.901 . 0 0 "[ . 1]" 1
138 1 19 LYS H 1 19 LYS HG3 0.000 . 5.000 4.367 4.081 4.572 . 0 0 "[ . 1]" 1
139 1 19 LYS H 1 20 CYS H 0.000 . 5.000 4.429 4.293 4.548 . 0 0 "[ . 1]" 1
140 1 19 LYS HA 1 19 LYS HE2 0.000 . 5.000 4.501 2.570 5.007 0.007 1 0 "[ . 1]" 1
141 1 19 LYS HA 1 19 LYS HE3 0.000 . 5.000 4.140 2.536 5.017 0.017 3 0 "[ . 1]" 1
142 1 19 LYS HA 1 19 LYS HG2 0.000 . 3.500 3.157 2.936 3.515 0.015 8 0 "[ . 1]" 1
143 1 19 LYS HA 1 19 LYS HG3 0.000 . 3.500 2.107 1.998 2.254 . 0 0 "[ . 1]" 1
144 1 19 LYS HA 1 20 CYS H 0.000 . 2.700 2.392 2.164 2.712 0.012 10 0 "[ . 1]" 1
145 1 19 LYS QB 1 20 CYS H 0.000 . 4.070 3.146 2.325 3.724 . 0 0 "[ . 1]" 1
146 1 19 LYS HG2 1 20 CYS H 0.000 . 3.500 3.234 2.562 3.550 0.050 9 0 "[ . 1]" 1
147 1 19 LYS HG3 1 20 CYS H 0.000 . 3.500 2.934 1.997 3.403 . 0 0 "[ . 1]" 1
148 1 20 CYS H 1 20 CYS HB2 0.000 . 3.500 3.236 2.510 3.645 0.145 10 0 "[ . 1]" 1
149 1 20 CYS H 1 20 CYS HB3 0.000 . 3.500 3.512 2.887 3.635 0.135 7 0 "[ . 1]" 1
150 1 20 CYS H 1 21 ILE H 0.000 . 5.000 4.552 4.443 4.643 . 0 0 "[ . 1]" 1
151 1 20 CYS HA 1 20 CYS HB2 0.000 . 2.700 2.800 2.566 2.988 0.288 5 0 "[ . 1]" 1
152 1 20 CYS HA 1 21 ILE H 0.000 . 2.700 2.270 2.215 2.336 . 0 0 "[ . 1]" 1
153 1 20 CYS HA 1 21 ILE HG12 0.000 . 5.000 4.392 4.016 4.944 . 0 0 "[ . 1]" 1
154 1 20 CYS HA 1 21 ILE HG13 0.000 . 5.000 3.993 3.747 4.252 . 0 0 "[ . 1]" 1
155 1 20 CYS HA 1 21 ILE MG 0.000 . 6.000 3.493 3.279 3.866 . 0 0 "[ . 1]" 1
156 1 20 CYS HB2 1 21 ILE H 0.000 . 3.500 3.184 2.684 3.638 0.138 5 0 "[ . 1]" 1
157 1 20 CYS HB3 1 21 ILE H 0.000 . 3.500 3.266 2.637 3.680 0.180 9 0 "[ . 1]" 1
158 1 21 ILE H 1 26 VAL MG2 0.000 . 7.800 5.818 4.347 6.459 . 0 0 "[ . 1]" 1
159 1 21 ILE HA 1 22 SER H 0.000 . 2.700 2.465 2.253 2.615 . 0 0 "[ . 1]" 1
160 1 21 ILE HB 1 25 TRP HB3 0.000 . 4.500 4.568 4.515 4.622 0.122 8 0 "[ . 1]" 1
161 1 21 ILE MD 1 25 TRP HB3 0.000 . 5.040 3.301 2.966 3.551 . 0 0 "[ . 1]" 1
162 1 21 ILE MD 1 26 VAL MG1 0.000 . 9.360 2.886 2.504 3.560 . 0 0 "[ . 1]" 1
163 1 21 ILE MD 1 26 VAL MG2 0.000 . 9.360 2.747 1.647 3.285 . 0 0 "[ . 1]" 1
164 1 21 ILE MD 1 32 GLU H 0.000 . 7.800 5.255 4.813 5.720 . 0 0 "[ . 1]" 1
165 1 21 ILE MD 1 33 CYS H 0.000 . 7.800 4.243 3.143 4.750 . 0 0 "[ . 1]" 1
166 1 21 ILE MD 1 38 ASP HB2 0.000 . 5.040 3.800 3.220 4.106 . 0 0 "[ . 1]" 1
167 1 21 ILE MD 1 38 ASP HB3 0.000 . 5.040 3.153 2.501 3.946 . 0 0 "[ . 1]" 1
168 1 22 SER H 1 25 TRP HE1 0.000 . 5.000 3.787 3.301 4.584 . 0 0 "[ . 1]" 1
169 1 22 SER H 1 34 GLN QB 0.000 . 4.950 4.456 4.259 4.606 . 0 0 "[ . 1]" 1
170 1 22 SER HA 1 23 TYR H 0.000 . 2.700 2.243 2.220 2.277 . 0 0 "[ . 1]" 1
171 1 22 SER HB2 1 24 LYS HG2 0.000 . 5.000 4.231 3.540 5.122 0.122 8 0 "[ . 1]" 1
172 1 22 SER HB2 1 24 LYS HG3 0.000 . 5.000 3.913 3.487 4.509 . 0 0 "[ . 1]" 1
173 1 22 SER HB2 1 25 TRP H 0.000 . 5.000 3.984 2.617 4.537 . 0 0 "[ . 1]" 1
174 1 22 SER HB2 1 25 TRP HD1 0.000 . 5.000 3.072 2.403 4.367 . 0 0 "[ . 1]" 1
175 1 22 SER HB2 1 25 TRP HE1 0.000 . 3.500 2.911 2.368 3.569 0.069 10 0 "[ . 1]" 1
176 1 22 SER HB3 1 25 TRP HE1 0.000 . 3.500 3.237 2.104 3.620 0.120 7 0 "[ . 1]" 1
177 1 23 TYR H 1 23 TYR HA 0.000 . 2.700 2.827 2.805 2.841 0.141 10 0 "[ . 1]" 1
178 1 23 TYR H 1 23 TYR HB2 0.000 . 2.700 2.292 2.186 2.330 . 0 0 "[ . 1]" 1
179 1 23 TYR H 1 23 TYR HB3 0.000 . 2.700 2.776 2.737 2.860 0.160 8 0 "[ . 1]" 1
180 1 23 TYR HA 1 23 TYR HB2 0.000 . 2.700 2.578 2.552 2.631 . 0 0 "[ . 1]" 1
181 1 23 TYR HA 1 23 TYR HB3 0.000 . 2.700 2.966 2.938 2.976 0.276 1 0 "[ . 1]" 1
182 1 23 TYR HA 1 26 VAL H 0.000 . 3.500 3.357 3.152 3.606 0.106 5 0 "[ . 1]" 1
183 1 23 TYR HA 1 26 VAL MG1 0.000 . 6.000 2.431 1.813 3.974 . 0 0 "[ . 1]" 1
184 1 23 TYR HA 1 26 VAL MG2 0.000 . 5.040 3.531 1.820 4.277 . 0 0 "[ . 1]" 1
185 1 23 TYR QD 1 26 VAL HB 0.000 . 5.500 4.473 2.888 5.253 . 0 0 "[ . 1]" 1
186 1 23 TYR QD 1 26 VAL MG1 0.000 . 8.400 2.909 2.350 3.862 . 0 0 "[ . 1]" 1
187 1 23 TYR QD 1 26 VAL MG2 0.000 . 8.400 3.743 2.075 4.662 . 0 0 "[ . 1]" 1
188 1 23 TYR QE 1 26 VAL HB 0.000 . 7.000 5.014 3.337 5.868 . 0 0 "[ . 1]" 1
189 1 23 TYR QE 1 26 VAL MG1 0.000 . 8.400 3.038 2.243 3.711 . 0 0 "[ . 1]" 1
190 1 23 TYR QE 1 26 VAL MG2 0.000 . 8.400 3.863 3.312 4.380 . 0 0 "[ . 1]" 1
191 1 24 LYS H 1 24 LYS HG2 0.000 . 3.500 2.471 1.946 3.571 0.071 7 0 "[ . 1]" 1
192 1 24 LYS H 1 24 LYS HG3 0.000 . 3.500 2.409 1.957 2.777 . 0 0 "[ . 1]" 1
193 1 24 LYS HA 1 24 LYS HB2 0.000 . 2.700 2.706 2.505 2.985 0.285 1 0 "[ . 1]" 1
194 1 24 LYS HA 1 24 LYS HB3 0.000 . 2.700 2.379 2.306 2.412 . 0 0 "[ . 1]" 1
195 1 24 LYS HA 1 24 LYS HG2 0.000 . 3.500 3.448 2.781 3.715 0.215 9 0 "[ . 1]" 1
196 1 24 LYS HA 1 24 LYS HG3 0.000 . 3.500 3.362 2.638 3.628 0.128 8 0 "[ . 1]" 1
197 1 24 LYS HA 1 25 TRP H 0.000 . 3.500 3.498 3.483 3.522 0.022 1 0 "[ . 1]" 1
198 1 24 LYS HA 1 26 VAL H 0.000 . 5.000 4.342 3.643 4.895 . 0 0 "[ . 1]" 1
199 1 24 LYS HB2 1 24 LYS HG2 0.000 . 2.700 2.936 2.757 2.967 0.267 2 0 "[ . 1]" 1
200 1 24 LYS HB3 1 24 LYS HG2 0.000 . 2.700 2.330 2.255 2.588 . 0 0 "[ . 1]" 1
201 1 24 LYS QD 1 25 TRP HE1 0.000 . 4.950 3.662 2.430 4.318 . 0 0 "[ . 1]" 1
202 1 25 TRP H 1 25 TRP HA 0.000 . 2.700 2.885 2.868 2.925 0.225 8 0 "[ . 1]" 1
203 1 25 TRP H 1 25 TRP HB2 0.000 . 2.700 2.603 2.469 2.750 0.050 1 0 "[ . 1]" 1
204 1 25 TRP H 1 25 TRP HB3 0.000 . 3.500 3.603 3.584 3.643 0.143 8 0 "[ . 1]" 1
205 1 25 TRP HA 1 25 TRP HB3 0.000 . 2.700 2.405 2.342 2.461 . 0 0 "[ . 1]" 1
206 1 25 TRP HA 1 26 VAL H 0.000 . 3.500 3.422 3.047 3.571 0.071 6 0 "[ . 1]" 1
207 1 25 TRP HA 1 28 ASP HB2 0.000 . 3.500 3.443 3.228 3.533 0.033 9 0 "[ . 1]" 1
208 1 25 TRP HD1 1 34 GLN QB 0.000 . 4.950 4.154 3.768 4.333 . 0 0 "[ . 1]" 1
209 1 26 VAL H 1 26 VAL HB 0.000 . 2.700 2.588 2.527 2.707 0.007 3 0 "[ . 1]" 1
210 1 26 VAL HA 1 27 CYS H 0.000 . 2.700 2.207 2.174 2.277 . 0 0 "[ . 1]" 1
211 1 26 VAL HA 1 28 ASP H 0.000 . 5.000 4.605 4.275 4.947 . 0 0 "[ . 1]" 1
212 1 26 VAL HA 1 38 ASP HA 0.000 . 5.000 4.247 4.140 4.599 . 0 0 "[ . 1]" 1
213 1 26 VAL HA 1 38 ASP HB2 0.000 . 3.500 2.192 1.854 3.320 . 0 0 "[ . 1]" 1
214 1 26 VAL HA 1 38 ASP HB3 0.000 . 3.500 2.493 2.239 2.914 . 0 0 "[ . 1]" 1
215 1 26 VAL HA 1 43 THR MG 0.000 . 6.000 4.820 4.392 5.135 . 0 0 "[ . 1]" 1
216 1 26 VAL HB 1 27 CYS H 0.000 . 5.000 4.194 3.882 4.404 . 0 0 "[ . 1]" 1
217 1 26 VAL MG1 1 27 CYS H 0.000 . 6.000 3.526 2.442 3.951 . 0 0 "[ . 1]" 1
218 1 26 VAL MG1 1 38 ASP HA 0.000 . 6.000 4.757 3.414 5.224 . 0 0 "[ . 1]" 1
219 1 26 VAL MG1 1 43 THR MG 0.000 . 9.360 3.227 2.147 4.510 . 0 0 "[ . 1]" 1
220 1 26 VAL MG2 1 27 CYS H 0.000 . 6.000 2.953 2.162 4.167 . 0 0 "[ . 1]" 1
221 1 26 VAL MG2 1 38 ASP HA 0.000 . 6.000 3.159 2.381 4.931 . 0 0 "[ . 1]" 1
222 1 26 VAL MG2 1 43 THR MG 0.000 . 9.360 2.737 1.796 4.624 . 0 0 "[ . 1]" 1
223 1 27 CYS H 1 27 CYS HA 0.000 . 2.700 2.340 2.329 2.345 . 0 0 "[ . 1]" 1
224 1 27 CYS H 1 28 ASP H 0.000 . 3.500 3.156 2.998 3.352 . 0 0 "[ . 1]" 1
225 1 27 CYS H 1 29 GLY H 0.000 . 5.000 4.915 4.749 5.061 0.061 7 0 "[ . 1]" 1
226 1 27 CYS H 1 38 ASP HA 0.000 . 5.000 4.111 3.681 4.312 . 0 0 "[ . 1]" 1
227 1 27 CYS H 1 38 ASP HB2 0.000 . 3.500 2.249 1.863 3.574 0.074 8 0 "[ . 1]" 1
228 1 27 CYS H 1 38 ASP HB3 0.000 . 3.500 3.250 1.933 3.603 0.103 3 0 "[ . 1]" 1
229 1 27 CYS H 1 43 THR MG 0.000 . 7.800 4.399 4.108 4.558 . 0 0 "[ . 1]" 1
230 1 27 CYS HA 1 28 ASP H 0.000 . 3.500 2.454 2.332 2.561 . 0 0 "[ . 1]" 1
231 1 27 CYS HA 1 29 GLY H 0.000 . 5.000 3.839 3.394 4.294 . 0 0 "[ . 1]" 1
232 1 27 CYS HA 1 39 GLU HA 0.000 . 3.500 3.482 3.009 3.595 0.095 6 0 "[ . 1]" 1
233 1 28 ASP H 1 28 ASP HB2 0.000 . 3.500 2.814 2.584 2.989 . 0 0 "[ . 1]" 1
234 1 28 ASP H 1 28 ASP HB3 0.000 . 3.500 3.151 2.826 3.510 0.010 5 0 "[ . 1]" 1
235 1 28 ASP H 1 29 GLY H 0.000 . 2.700 2.079 1.955 2.315 . 0 0 "[ . 1]" 1
236 1 28 ASP H 1 29 GLY HA2 0.000 . 6.000 4.322 4.138 4.623 . 0 0 "[ . 1]" 1
237 1 28 ASP HA 1 29 GLY H 0.000 . 5.000 3.370 2.972 3.573 . 0 0 "[ . 1]" 1
238 1 28 ASP HB2 1 29 GLY H 0.000 . 5.000 3.746 3.008 4.467 . 0 0 "[ . 1]" 1
239 1 28 ASP HB3 1 29 GLY H 0.000 . 5.000 3.207 2.405 4.077 . 0 0 "[ . 1]" 1
240 1 29 GLY H 1 29 GLY HA2 0.000 . 2.700 2.638 2.332 2.940 0.240 5 0 "[ . 1]" 1
241 1 29 GLY H 1 29 GLY HA3 0.000 . 2.700 2.824 2.617 2.948 0.248 1 0 "[ . 1]" 1
242 1 29 GLY H 1 30 SER H 0.000 . 2.700 2.308 1.962 2.709 0.009 6 0 "[ . 1]" 1
243 1 29 GLY HA2 1 30 SER H 0.000 . 3.500 3.309 2.920 3.564 0.064 9 0 "[ . 1]" 1
244 1 29 GLY HA3 1 30 SER H 0.000 . 3.500 3.065 2.429 3.537 0.037 1 0 "[ . 1]" 1
245 1 30 SER H 1 30 SER HB2 0.000 . 3.500 3.103 2.702 3.487 . 0 0 "[ . 1]" 1
246 1 30 SER H 1 30 SER HB3 0.000 . 3.500 3.173 2.875 3.511 0.011 7 0 "[ . 1]" 1
247 1 30 SER H 1 39 GLU HG2 0.000 . 4.500 3.957 2.721 4.593 0.093 3 0 "[ . 1]" 1
248 1 30 SER HA 1 31 ALA H 0.000 . 2.700 2.548 2.299 2.903 0.203 1 0 "[ . 1]" 1
249 1 31 ALA HA 1 32 GLU H 0.000 . 2.700 2.379 2.240 2.557 . 0 0 "[ . 1]" 1
250 1 31 ALA HA 1 39 GLU HG2 0.000 . 4.500 3.722 2.968 4.498 . 0 0 "[ . 1]" 1
251 1 31 ALA MB 1 32 GLU H 0.000 . 6.000 3.657 3.526 3.738 . 0 0 "[ . 1]" 1
252 1 31 ALA MB 1 33 CYS H 0.000 . 6.000 3.762 3.439 5.035 . 0 0 "[ . 1]" 1
253 1 31 ALA MB 1 36 GLY H 0.000 . 6.000 4.386 3.928 4.795 . 0 0 "[ . 1]" 1
254 1 31 ALA MB 1 36 GLY HA2 0.000 . 6.000 2.205 1.843 2.605 . 0 0 "[ . 1]" 1
255 1 31 ALA MB 1 36 GLY HA3 0.000 . 6.000 3.080 2.691 3.355 . 0 0 "[ . 1]" 1
256 1 32 GLU H 1 32 GLU HB2 0.000 . 3.500 2.886 2.323 3.706 0.206 1 0 "[ . 1]" 1
257 1 32 GLU H 1 32 GLU HB3 0.000 . 3.500 3.543 3.039 3.708 0.208 5 0 "[ . 1]" 1
258 1 32 GLU H 1 32 GLU HG2 0.000 . 3.500 3.083 1.963 3.637 0.137 8 0 "[ . 1]" 1
259 1 32 GLU H 1 32 GLU HG3 0.000 . 3.500 2.456 2.214 2.890 . 0 0 "[ . 1]" 1
260 1 32 GLU H 1 33 CYS H 0.000 . 2.700 2.689 2.315 2.855 0.155 8 0 "[ . 1]" 1
261 1 32 GLU HG3 1 33 CYS H 0.000 . 4.500 4.384 3.528 4.687 0.187 5 0 "[ . 1]" 1
262 1 33 CYS H 1 33 CYS HB2 0.000 . 2.700 2.604 2.347 2.785 0.085 3 0 "[ . 1]" 1
263 1 33 CYS H 1 33 CYS HB3 0.000 . 2.700 2.628 2.462 3.007 0.307 3 0 "[ . 1]" 1
264 1 33 CYS H 1 38 ASP H 0.000 . 5.000 3.723 2.612 4.224 . 0 0 "[ . 1]" 1
265 1 33 CYS HB2 1 37 SER H 0.000 . 3.500 2.636 2.050 3.055 . 0 0 "[ . 1]" 1
266 1 33 CYS HB2 1 38 ASP H 0.000 . 3.500 2.694 1.965 3.508 0.008 7 0 "[ . 1]" 1
267 1 33 CYS HB3 1 35 ASP H 0.000 . 4.500 3.300 3.052 3.730 . 0 0 "[ . 1]" 1
268 1 33 CYS HB3 1 37 SER H 0.000 . 3.500 1.975 1.896 2.109 . 0 0 "[ . 1]" 1
269 1 33 CYS HB3 1 38 ASP H 0.000 . 3.500 3.266 2.323 3.555 0.055 2 0 "[ . 1]" 1
270 1 35 ASP H 1 35 ASP HB2 0.000 . 3.500 3.198 2.586 3.479 . 0 0 "[ . 1]" 1
271 1 35 ASP H 1 35 ASP HB3 0.000 . 3.500 3.119 2.723 3.410 . 0 0 "[ . 1]" 1
272 1 36 GLY H 1 36 GLY HA2 0.000 . 2.700 2.601 2.453 2.697 . 0 0 "[ . 1]" 1
273 1 36 GLY H 1 36 GLY HA3 0.000 . 2.700 2.942 2.912 2.957 0.257 5 0 "[ . 1]" 1
274 1 36 GLY H 1 37 SER H 0.000 . 3.500 2.369 2.168 2.718 . 0 0 "[ . 1]" 1
275 1 36 GLY H 1 38 ASP H 0.000 . 5.000 4.414 4.021 4.789 . 0 0 "[ . 1]" 1
276 1 37 SER H 1 38 ASP H 0.000 . 3.500 2.182 1.845 2.643 . 0 0 "[ . 1]" 1
277 1 37 SER HA 1 38 ASP H 0.000 . 3.500 3.027 2.710 3.522 0.022 3 0 "[ . 1]" 1
278 1 37 SER HA 1 39 GLU H 0.000 . 5.000 3.839 3.202 4.266 . 0 0 "[ . 1]" 1
279 1 37 SER HA 1 40 SER H 0.000 . 5.000 4.321 3.929 4.873 . 0 0 "[ . 1]" 1
280 1 38 ASP H 1 38 ASP HB2 0.000 . 3.500 3.380 2.323 3.693 0.193 7 0 "[ . 1]" 1
281 1 38 ASP H 1 38 ASP HB3 0.000 . 3.500 3.034 2.548 3.481 . 0 0 "[ . 1]" 1
282 1 38 ASP H 1 39 GLU H 0.000 . 2.700 2.304 1.953 2.809 0.109 3 0 "[ . 1]" 1
283 1 38 ASP H 1 40 SER H 0.000 . 5.000 4.125 3.440 4.611 . 0 0 "[ . 1]" 1
284 1 38 ASP HA 1 39 GLU H 0.000 . 3.500 3.423 3.067 3.547 0.047 3 0 "[ . 1]" 1
285 1 38 ASP HA 1 43 THR MG 0.000 . 5.040 3.495 2.172 4.026 . 0 0 "[ . 1]" 1
286 1 39 GLU H 1 39 GLU HB2 0.000 . 3.500 2.241 2.124 2.392 . 0 0 "[ . 1]" 1
287 1 39 GLU H 1 39 GLU HB3 0.000 . 3.500 3.320 2.908 3.560 0.060 10 0 "[ . 1]" 1
288 1 39 GLU H 1 39 GLU QG 0.000 . 4.950 3.244 2.490 4.065 . 0 0 "[ . 1]" 1
289 1 40 SER H 1 40 SER HA 0.000 . 2.700 2.792 2.772 2.817 0.117 1 0 "[ . 1]" 1
290 1 40 SER H 1 43 THR HB 0.000 . 5.000 4.559 3.815 5.064 0.064 7 0 "[ . 1]" 1
291 1 40 SER HA 1 41 GLN H 0.000 . 2.700 2.302 2.190 2.422 . 0 0 "[ . 1]" 1
292 1 41 GLN H 1 41 GLN QG 0.000 . 4.950 3.138 2.079 4.091 . 0 0 "[ . 1]" 1
293 1 41 GLN H 1 42 GLU H 0.000 . 3.500 2.572 2.312 2.879 . 0 0 "[ . 1]" 1
294 1 41 GLN HA 1 44 CYS HB2 0.000 . 3.500 3.635 3.529 3.681 0.181 4 0 "[ . 1]" 1
295 1 41 GLN HA 1 44 CYS HB3 0.000 . 3.500 2.672 2.216 3.330 . 0 0 "[ . 1]" 1
296 1 41 GLN HA 1 45 LEU HA 0.000 . 3.500 3.593 3.459 3.757 0.257 9 0 "[ . 1]" 1
297 1 42 GLU H 1 42 GLU HA 0.000 . 2.700 2.809 2.764 2.838 0.138 5 0 "[ . 1]" 1
298 1 42 GLU H 1 42 GLU HG2 0.000 . 3.500 3.094 1.996 3.528 0.028 8 0 "[ . 1]" 1
299 1 42 GLU H 1 42 GLU HG3 0.000 . 3.500 3.069 2.401 3.549 0.049 1 0 "[ . 1]" 1
300 1 42 GLU H 1 43 THR H 0.000 . 3.500 2.754 2.611 2.953 . 0 0 "[ . 1]" 1
301 1 42 GLU HA 1 45 LEU QB 0.000 . 4.070 3.422 3.243 3.647 . 0 0 "[ . 1]" 1
302 1 42 GLU HB2 1 43 THR H 0.000 . 3.500 3.002 2.666 3.588 0.088 7 0 "[ . 1]" 1
303 1 42 GLU HB3 1 43 THR H 0.000 . 3.500 3.542 3.379 3.776 0.276 7 0 "[ . 1]" 1
304 1 43 THR H 1 43 THR HA 0.000 . 2.700 2.930 2.909 2.947 0.247 8 0 "[ . 1]" 1
305 1 43 THR HB 1 44 CYS H 0.000 . 3.500 2.979 2.625 3.573 0.073 1 0 "[ . 1]" 1
306 1 43 THR MG 1 44 CYS H 0.000 . 6.000 3.355 2.039 3.883 . 0 0 "[ . 1]" 1
307 1 44 CYS H 1 44 CYS HB2 0.000 . 2.700 2.482 2.174 2.735 0.035 8 0 "[ . 1]" 1
308 1 44 CYS H 1 44 CYS HB3 0.000 . 2.700 2.839 2.717 3.006 0.306 6 0 "[ . 1]" 1
309 1 44 CYS HB2 1 45 LEU H 0.000 . 5.000 4.214 2.999 4.644 . 0 0 "[ . 1]" 1
310 1 44 CYS HB3 1 45 LEU H 0.000 . 5.000 3.714 1.962 4.304 . 0 0 "[ . 1]" 1
311 1 45 LEU H 1 45 LEU HA 0.000 . 2.700 2.747 2.304 2.947 0.247 10 0 "[ . 1]" 1
312 1 45 LEU H 1 45 LEU HG 0.000 . 2.700 2.498 1.958 3.053 0.353 8 0 "[ . 1]" 1
313 1 45 LEU QB 1 46 SER H 0.000 . 4.950 2.991 1.877 4.050 . 0 0 "[ . 1]" 1
314 1 45 LEU HG 1 46 SER H 0.000 . 5.000 4.441 4.060 4.697 . 0 0 "[ . 1]" 1
315 1 46 SER HA 1 47 VAL H 0.000 . 3.500 2.629 2.206 3.563 0.063 7 0 "[ . 1]" 1
316 1 47 VAL H 1 47 VAL HB 0.000 . 3.500 2.963 2.591 3.356 . 0 0 "[ . 1]" 1
317 1 47 VAL HA 1 48 THR H 0.000 . 3.500 2.747 2.190 3.569 0.069 1 0 "[ . 1]" 1
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