NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375900 |
1f8z   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f8z
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 543
_Distance_constraint_stats_list.Viol_count 2310
_Distance_constraint_stats_list.Viol_total 3915.420
_Distance_constraint_stats_list.Viol_max 0.284
_Distance_constraint_stats_list.Viol_rms 0.0450
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0180
_Distance_constraint_stats_list.Viol_average_violations_only 0.0847
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 2.343 0.067 19 0 "[ . 1 . 2]"
1 3 CYS 10.777 0.197 17 0 "[ . 1 . 2]"
1 4 ARG 9.414 0.213 16 0 "[ . 1 . 2]"
1 5 PRO 3.699 0.194 8 0 "[ . 1 . 2]"
1 6 ASP 8.971 0.194 8 0 "[ . 1 . 2]"
1 7 GLU 6.264 0.150 10 0 "[ . 1 . 2]"
1 8 PHE 11.229 0.171 15 0 "[ . 1 . 2]"
1 9 GLN 10.290 0.194 10 0 "[ . 1 . 2]"
1 10 CYS 18.743 0.251 8 0 "[ . 1 . 2]"
1 11 SER 5.433 0.157 14 0 "[ . 1 . 2]"
1 12 ASP 8.212 0.168 15 0 "[ . 1 . 2]"
1 13 GLY 3.890 0.184 9 0 "[ . 1 . 2]"
1 14 ASN 5.142 0.138 7 0 "[ . 1 . 2]"
1 15 CYS 4.809 0.165 2 0 "[ . 1 . 2]"
1 16 ILE 4.987 0.100 1 0 "[ . 1 . 2]"
1 17 HIS 6.807 0.216 17 0 "[ . 1 . 2]"
1 18 GLY 4.829 0.188 14 0 "[ . 1 . 2]"
1 19 SER 4.235 0.192 1 0 "[ . 1 . 2]"
1 20 ARG 10.593 0.218 2 0 "[ . 1 . 2]"
1 21 GLN 5.701 0.129 2 0 "[ . 1 . 2]"
1 22 CYS 6.779 0.186 11 0 "[ . 1 . 2]"
1 23 ASP 2.295 0.098 6 0 "[ . 1 . 2]"
1 24 ARG 7.372 0.162 10 0 "[ . 1 . 2]"
1 25 GLU 4.155 0.162 10 0 "[ . 1 . 2]"
1 26 TYR 2.519 0.155 17 0 "[ . 1 . 2]"
1 27 ASP 9.987 0.200 16 0 "[ . 1 . 2]"
1 28 CYS 6.651 0.200 16 0 "[ . 1 . 2]"
1 29 LYS 3.831 0.128 11 0 "[ . 1 . 2]"
1 30 ASP 9.408 0.189 10 0 "[ . 1 . 2]"
1 31 MET 1.121 0.082 7 0 "[ . 1 . 2]"
1 32 SER 2.309 0.076 2 0 "[ . 1 . 2]"
1 33 ASP 5.165 0.166 15 0 "[ . 1 . 2]"
1 34 GLU 7.804 0.241 5 0 "[ . 1 . 2]"
1 35 VAL 12.507 0.284 6 0 "[ . 1 . 2]"
1 36 GLY 7.602 0.158 5 0 "[ . 1 . 2]"
1 37 CYS 9.408 0.241 4 0 "[ . 1 . 2]"
1 38 VAL 2.315 0.068 8 0 "[ . 1 . 2]"
1 39 ASN 1.235 0.068 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR H 1 2 THR HB 0.000 . 2.960 2.981 2.965 3.000 0.040 8 0 "[ . 1 . 2]" 1
2 1 2 THR HA 1 2 THR MG 0.000 . 3.580 2.221 2.193 2.245 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR HA 1 3 CYS H 0.000 . 2.400 2.455 2.429 2.467 0.067 19 0 "[ . 1 . 2]" 1
4 1 2 THR HB 1 3 CYS H 0.000 . 2.800 2.841 2.828 2.863 0.063 8 0 "[ . 1 . 2]" 1
5 1 2 THR MG 1 3 CYS H 0.000 . 4.360 1.892 1.859 1.945 . 0 0 "[ . 1 . 2]" 1
6 1 2 THR MG 1 3 CYS HA 0.000 . 7.000 4.456 4.401 4.507 . 0 0 "[ . 1 . 2]" 1
7 1 3 CYS H 1 3 CYS HA 0.000 . 2.800 2.863 2.859 2.866 0.066 15 0 "[ . 1 . 2]" 1
8 1 3 CYS H 1 3 CYS HB2 0.000 . 3.140 2.563 2.505 2.591 . 0 0 "[ . 1 . 2]" 1
9 1 3 CYS H 1 3 CYS QB 0.000 . 2.750 2.490 2.443 2.512 . 0 0 "[ . 1 . 2]" 1
10 1 3 CYS H 1 3 CYS HB3 0.000 . 3.240 3.380 3.374 3.396 0.156 18 0 "[ . 1 . 2]" 1
11 1 3 CYS H 1 4 ARG H 0.000 . 6.000 4.444 4.423 4.454 . 0 0 "[ . 1 . 2]" 1
12 1 3 CYS H 1 9 GLN HB2 0.000 . 6.000 4.350 3.701 5.470 . 0 0 "[ . 1 . 2]" 1
13 1 3 CYS HA 1 3 CYS HB2 0.000 . 2.650 2.837 2.833 2.847 0.197 17 0 "[ . 1 . 2]" 1
14 1 3 CYS HA 1 3 CYS QB 0.000 . 2.400 2.091 2.074 2.124 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS HA 1 3 CYS HB3 0.000 . 2.650 2.153 2.133 2.192 . 0 0 "[ . 1 . 2]" 1
16 1 3 CYS HA 1 4 ARG H 0.000 . 2.400 2.434 2.422 2.448 0.048 20 0 "[ . 1 . 2]" 1
17 1 3 CYS HA 1 4 ARG QB 0.000 . 7.000 4.139 4.075 4.187 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS HA 1 7 GLU QB 0.000 . 7.000 3.690 3.601 3.898 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS HA 1 7 GLU QG 0.000 . 6.380 5.008 4.897 5.197 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS HA 1 15 CYS HB2 0.000 . 5.500 4.287 4.047 4.733 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS HA 1 15 CYS HB3 0.000 . 6.000 4.168 3.814 4.840 . 0 0 "[ . 1 . 2]" 1
22 1 3 CYS QB 1 4 ARG H 0.000 . 2.530 2.314 2.272 2.341 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS QB 1 5 PRO HA 0.000 . 6.380 5.457 5.370 5.542 . 0 0 "[ . 1 . 2]" 1
24 1 3 CYS QB 1 7 GLU H 0.000 . 4.670 4.170 4.052 4.258 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS QB 1 7 GLU QB 0.000 . 4.220 2.028 1.909 2.205 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS QB 1 7 GLU QG 0.000 . 5.500 3.544 3.456 3.682 . 0 0 "[ . 1 . 2]" 1
27 1 3 CYS QB 1 9 GLN HB2 0.000 . 4.400 3.640 3.340 3.991 . 0 0 "[ . 1 . 2]" 1
28 1 3 CYS QB 1 15 CYS QB 0.000 . 4.140 2.419 2.222 2.748 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS HB2 1 4 ARG H 0.000 . 2.930 2.948 2.936 2.981 0.051 18 0 "[ . 1 . 2]" 1
30 1 3 CYS HB2 1 15 CYS HB2 0.000 . 5.330 4.837 4.457 5.172 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS HB2 1 15 CYS HB3 0.000 . 5.330 3.837 3.638 4.260 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS HB3 1 4 ARG H 0.000 . 2.930 2.420 2.356 2.458 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS HB3 1 15 CYS HB2 0.000 . 5.330 3.383 3.196 3.667 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS HB3 1 15 CYS HB3 0.000 . 5.330 2.536 2.285 2.983 . 0 0 "[ . 1 . 2]" 1
35 1 4 ARG H 1 4 ARG HA 0.000 . 2.770 2.793 2.775 2.821 0.051 6 0 "[ . 1 . 2]" 1
36 1 4 ARG H 1 4 ARG HB2 0.000 . 2.860 1.881 1.871 1.892 . 0 0 "[ . 1 . 2]" 1
37 1 4 ARG H 1 4 ARG QB 0.000 . 2.500 1.870 1.860 1.880 . 0 0 "[ . 1 . 2]" 1
38 1 4 ARG H 1 4 ARG HB3 0.000 . 3.110 3.276 3.266 3.286 0.176 16 0 "[ . 1 . 2]" 1
39 1 4 ARG H 1 4 ARG HG2 0.000 . 3.550 3.434 3.257 3.566 0.016 20 0 "[ . 1 . 2]" 1
40 1 4 ARG H 1 4 ARG QG 0.000 . 2.940 2.630 2.489 2.743 . 0 0 "[ . 1 . 2]" 1
41 1 4 ARG H 1 4 ARG HG3 0.000 . 3.550 2.744 2.541 2.952 . 0 0 "[ . 1 . 2]" 1
42 1 4 ARG H 1 5 PRO QD 0.000 . 6.380 4.320 4.308 4.329 . 0 0 "[ . 1 . 2]" 1
43 1 4 ARG H 1 7 GLU H 0.000 . 4.720 3.805 3.729 3.868 . 0 0 "[ . 1 . 2]" 1
44 1 4 ARG H 1 7 GLU QB 0.000 . 3.990 2.064 2.014 2.241 . 0 0 "[ . 1 . 2]" 1
45 1 4 ARG H 1 15 CYS QB 0.000 . 6.380 4.329 4.094 4.733 . 0 0 "[ . 1 . 2]" 1
46 1 4 ARG HA 1 4 ARG HB2 0.000 . 2.650 2.855 2.849 2.863 0.213 16 0 "[ . 1 . 2]" 1
47 1 4 ARG HA 1 4 ARG HB3 0.000 . 2.650 2.640 2.608 2.660 0.010 9 0 "[ . 1 . 2]" 1
48 1 4 ARG HA 1 4 ARG HG2 0.000 . 3.210 2.119 2.049 2.238 . 0 0 "[ . 1 . 2]" 1
49 1 4 ARG HA 1 4 ARG QG 0.000 . 2.980 2.080 2.028 2.166 . 0 0 "[ . 1 . 2]" 1
50 1 4 ARG HA 1 4 ARG HG3 0.000 . 3.210 3.071 2.866 3.247 0.037 11 0 "[ . 1 . 2]" 1
51 1 4 ARG QB 1 5 PRO QD 0.000 . 5.270 2.130 2.079 2.177 . 0 0 "[ . 1 . 2]" 1
52 1 4 ARG QB 1 6 ASP H 0.000 . 3.190 2.385 2.331 2.464 . 0 0 "[ . 1 . 2]" 1
53 1 4 ARG QB 1 7 GLU H 0.000 . 4.330 2.628 2.567 2.722 . 0 0 "[ . 1 . 2]" 1
54 1 4 ARG HB2 1 6 ASP H 0.000 . 3.670 3.684 3.640 3.699 0.029 9 0 "[ . 1 . 2]" 1
55 1 4 ARG HB3 1 6 ASP H 0.000 . 3.670 2.415 2.356 2.502 . 0 0 "[ . 1 . 2]" 1
56 1 4 ARG QG 1 5 PRO QD 0.000 . 8.000 2.866 2.684 3.056 . 0 0 "[ . 1 . 2]" 1
57 1 4 ARG HG2 1 5 PRO HD2 0.000 . 6.410 3.249 2.995 3.550 . 0 0 "[ . 1 . 2]" 1
58 1 4 ARG HG2 1 5 PRO HD3 0.000 . 6.410 3.345 3.152 3.530 . 0 0 "[ . 1 . 2]" 1
59 1 4 ARG HG3 1 5 PRO HD2 0.000 . 6.410 4.369 4.276 4.465 . 0 0 "[ . 1 . 2]" 1
60 1 4 ARG HG3 1 5 PRO HD3 0.000 . 6.410 4.766 4.598 4.923 . 0 0 "[ . 1 . 2]" 1
61 1 5 PRO HA 1 6 ASP H 0.000 . 3.100 3.285 3.274 3.294 0.194 8 0 "[ . 1 . 2]" 1
62 1 5 PRO HA 1 7 GLU H 0.000 . 6.000 3.846 3.805 3.924 . 0 0 "[ . 1 . 2]" 1
63 1 5 PRO QB 1 6 ASP H 0.000 . 3.830 3.157 3.121 3.240 . 0 0 "[ . 1 . 2]" 1
64 1 5 PRO HB2 1 6 ASP H 0.000 . 4.570 3.272 3.226 3.370 . 0 0 "[ . 1 . 2]" 1
65 1 5 PRO HB3 1 6 ASP H 0.000 . 4.570 4.150 4.124 4.199 . 0 0 "[ . 1 . 2]" 1
66 1 5 PRO QD 1 6 ASP H 0.000 . 4.240 2.441 2.360 2.511 . 0 0 "[ . 1 . 2]" 1
67 1 5 PRO HG2 1 6 ASP H 0.000 . 6.000 3.244 3.140 3.358 . 0 0 "[ . 1 . 2]" 1
68 1 5 PRO HG3 1 6 ASP H 0.000 . 5.500 4.271 4.204 4.350 . 0 0 "[ . 1 . 2]" 1
69 1 6 ASP H 1 6 ASP HA 0.000 . 2.720 2.886 2.881 2.890 0.170 14 0 "[ . 1 . 2]" 1
70 1 6 ASP H 1 6 ASP HB2 0.000 . 3.550 3.573 3.562 3.591 0.041 8 0 "[ . 1 . 2]" 1
71 1 6 ASP H 1 6 ASP QB 0.000 . 3.030 2.678 2.627 2.719 . 0 0 "[ . 1 . 2]" 1
72 1 6 ASP H 1 6 ASP HB3 0.000 . 3.550 2.767 2.701 2.821 . 0 0 "[ . 1 . 2]" 1
73 1 6 ASP H 1 7 GLU H 0.000 . 2.520 2.295 2.198 2.390 . 0 0 "[ . 1 . 2]" 1
74 1 6 ASP H 1 7 GLU QB 0.000 . 5.850 3.914 3.807 4.010 . 0 0 "[ . 1 . 2]" 1
75 1 6 ASP HA 1 6 ASP HB2 0.000 . 2.400 2.457 2.433 2.473 0.073 14 0 "[ . 1 . 2]" 1
76 1 6 ASP HA 1 6 ASP HB3 0.000 . 2.400 2.385 2.359 2.417 0.017 17 0 "[ . 1 . 2]" 1
77 1 6 ASP HB2 1 7 GLU H 0.000 . 5.340 4.079 3.966 4.229 . 0 0 "[ . 1 . 2]" 1
78 1 6 ASP HB3 1 7 GLU H 0.000 . 6.000 4.237 4.163 4.322 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLU H 1 7 GLU QB 0.000 . 3.340 2.106 2.053 2.134 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLU H 1 7 GLU HG2 0.000 . 3.920 4.050 4.036 4.070 0.150 10 0 "[ . 1 . 2]" 1
81 1 7 GLU H 1 7 GLU QG 0.000 . 3.570 3.134 3.079 3.162 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLU H 1 7 GLU HG3 0.000 . 3.920 3.263 3.190 3.296 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLU H 1 8 PHE H 0.000 . 6.000 4.397 4.361 4.412 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLU H 1 18 GLY H 0.000 . 6.000 4.667 4.595 4.771 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLU HA 1 7 GLU HG2 0.000 . 2.520 2.092 2.052 2.146 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLU HA 1 7 GLU HG3 0.000 . 2.520 2.548 2.478 2.580 0.060 1 0 "[ . 1 . 2]" 1
87 1 7 GLU HA 1 16 ILE H 0.000 . 6.000 4.970 4.892 5.056 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLU HA 1 18 GLY H 0.000 . 2.400 2.445 2.422 2.473 0.073 10 0 "[ . 1 . 2]" 1
89 1 7 GLU HA 1 18 GLY HA2 0.000 . 5.280 3.718 3.571 4.048 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLU HA 1 18 GLY QA 0.000 . 4.630 3.389 3.274 3.640 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLU HA 1 18 GLY HA3 0.000 . 5.280 3.906 3.788 4.125 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLU QB 1 8 PHE H 0.000 . 4.050 2.421 2.232 2.731 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLU QB 1 15 CYS QB 0.000 . 5.610 2.941 2.801 3.178 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLU QB 1 16 ILE H 0.000 . 7.000 3.957 3.798 4.095 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLU QB 1 17 HIS HA 0.000 . 6.380 3.889 3.833 3.930 . 0 0 "[ . 1 . 2]" 1
96 1 7 GLU QB 1 18 GLY H 0.000 . 7.000 4.625 4.592 4.667 . 0 0 "[ . 1 . 2]" 1
97 1 7 GLU QG 1 8 PHE H 0.000 . 3.140 2.519 2.490 2.564 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLU QG 1 8 PHE HB2 0.000 . 6.290 5.069 5.004 5.170 . 0 0 "[ . 1 . 2]" 1
99 1 7 GLU QG 1 15 CYS HA 0.000 . 7.000 5.315 5.205 5.482 . 0 0 "[ . 1 . 2]" 1
100 1 7 GLU QG 1 15 CYS QB 0.000 . 8.000 3.562 3.345 3.728 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLU QG 1 16 ILE H 0.000 . 4.640 3.801 3.766 3.837 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLU QG 1 17 HIS HA 0.000 . 3.500 1.891 1.867 1.935 . 0 0 "[ . 1 . 2]" 1
103 1 7 GLU QG 1 18 GLY H 0.000 . 4.710 3.340 3.245 3.461 . 0 0 "[ . 1 . 2]" 1
104 1 7 GLU HG2 1 8 PHE H 0.000 . 3.790 2.552 2.520 2.600 . 0 0 "[ . 1 . 2]" 1
105 1 7 GLU HG2 1 18 GLY H 0.000 . 5.500 3.614 3.480 3.713 . 0 0 "[ . 1 . 2]" 1
106 1 7 GLU HG3 1 8 PHE H 0.000 . 3.790 3.894 3.886 3.904 0.114 11 0 "[ . 1 . 2]" 1
107 1 7 GLU HG3 1 18 GLY H 0.000 . 6.000 3.939 3.714 4.134 . 0 0 "[ . 1 . 2]" 1
108 1 8 PHE H 1 8 PHE HA 0.000 . 2.800 2.936 2.924 2.941 0.141 7 0 "[ . 1 . 2]" 1
109 1 8 PHE H 1 8 PHE HB2 0.000 . 2.830 2.929 2.890 2.955 0.125 14 0 "[ . 1 . 2]" 1
110 1 8 PHE H 1 8 PHE HB3 0.000 . 2.860 2.652 2.548 2.756 . 0 0 "[ . 1 . 2]" 1
111 1 8 PHE H 1 9 GLN H 0.000 . 4.660 4.357 4.263 4.420 . 0 0 "[ . 1 . 2]" 1
112 1 8 PHE H 1 15 CYS HA 0.000 . 6.000 4.823 4.701 4.952 . 0 0 "[ . 1 . 2]" 1
113 1 8 PHE H 1 15 CYS QB 0.000 . 7.000 3.903 3.732 4.078 . 0 0 "[ . 1 . 2]" 1
114 1 8 PHE H 1 16 ILE MD 0.000 . 6.530 4.528 4.346 4.671 . 0 0 "[ . 1 . 2]" 1
115 1 8 PHE H 1 16 ILE HG12 0.000 . 5.220 4.110 3.855 4.229 . 0 0 "[ . 1 . 2]" 1
116 1 8 PHE H 1 16 ILE HG13 0.000 . 3.670 3.208 3.056 3.334 . 0 0 "[ . 1 . 2]" 1
117 1 8 PHE H 1 16 ILE MG 0.000 . 6.530 5.304 5.249 5.397 . 0 0 "[ . 1 . 2]" 1
118 1 8 PHE H 1 17 HIS HA 0.000 . 3.390 3.400 3.286 3.435 0.045 5 0 "[ . 1 . 2]" 1
119 1 8 PHE H 1 18 GLY H 0.000 . 3.920 3.844 3.644 3.941 0.021 2 0 "[ . 1 . 2]" 1
120 1 8 PHE H 1 18 GLY QA 0.000 . 6.000 3.691 3.484 4.092 . 0 0 "[ . 1 . 2]" 1
121 1 8 PHE HA 1 8 PHE HB2 0.000 . 2.400 2.409 2.382 2.433 0.033 4 0 "[ . 1 . 2]" 1
122 1 8 PHE HA 1 9 GLN H 0.000 . 2.400 2.143 2.053 2.244 . 0 0 "[ . 1 . 2]" 1
123 1 8 PHE HA 1 16 ILE HG13 0.000 . 4.820 4.794 4.649 4.856 0.036 10 0 "[ . 1 . 2]" 1
124 1 8 PHE HB2 1 9 GLN H 0.000 . 3.890 4.016 3.989 4.061 0.171 15 0 "[ . 1 . 2]" 1
125 1 8 PHE HB2 1 16 ILE H 0.000 . 6.000 5.042 4.939 5.181 . 0 0 "[ . 1 . 2]" 1
126 1 8 PHE HB2 1 16 ILE HG12 0.000 . 5.500 4.460 4.420 4.481 . 0 0 "[ . 1 . 2]" 1
127 1 8 PHE HB2 1 18 GLY QA 0.000 . 3.530 2.661 2.480 2.839 . 0 0 "[ . 1 . 2]" 1
128 1 8 PHE HB3 1 9 GLN H 0.000 . 4.630 3.939 3.773 4.062 . 0 0 "[ . 1 . 2]" 1
129 1 8 PHE HB3 1 16 ILE H 0.000 . 5.160 3.577 3.417 3.801 . 0 0 "[ . 1 . 2]" 1
130 1 8 PHE HB3 1 16 ILE MD 0.000 . 5.320 2.755 2.536 2.919 . 0 0 "[ . 1 . 2]" 1
131 1 8 PHE HB3 1 16 ILE HG12 0.000 . 2.650 2.704 2.687 2.715 0.065 18 0 "[ . 1 . 2]" 1
132 1 8 PHE HB3 1 16 ILE HG13 0.000 . 2.430 2.021 1.954 2.106 . 0 0 "[ . 1 . 2]" 1
133 1 8 PHE HB3 1 16 ILE MG 0.000 . 5.720 4.552 4.502 4.615 . 0 0 "[ . 1 . 2]" 1
134 1 8 PHE HB3 1 18 GLY QA 0.000 . 7.000 3.452 3.296 3.581 . 0 0 "[ . 1 . 2]" 1
135 1 9 GLN H 1 9 GLN HB2 0.000 . 2.520 2.648 2.620 2.668 0.148 2 0 "[ . 1 . 2]" 1
136 1 9 GLN H 1 9 GLN HB3 0.000 . 2.400 2.471 2.443 2.490 0.090 13 0 "[ . 1 . 2]" 1
137 1 9 GLN H 1 10 CYS H 0.000 . 4.660 4.424 4.348 4.464 . 0 0 "[ . 1 . 2]" 1
138 1 9 GLN HA 1 9 GLN HB2 0.000 . 2.460 2.342 2.289 2.364 . 0 0 "[ . 1 . 2]" 1
139 1 9 GLN HA 1 9 GLN HB3 0.000 . 2.930 2.966 2.961 2.977 0.047 17 0 "[ . 1 . 2]" 1
140 1 9 GLN HA 1 9 GLN HG2 0.000 . 3.550 3.260 3.044 3.550 . 0 0 "[ . 1 . 2]" 1
141 1 9 GLN HA 1 9 GLN HG3 0.000 . 2.460 2.343 2.299 2.409 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLN HA 1 15 CYS QB 0.000 . 6.380 3.545 3.285 3.707 . 0 0 "[ . 1 . 2]" 1
143 1 9 GLN HA 1 16 ILE H 0.000 . 6.000 3.577 3.403 3.729 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLN HB2 1 10 CYS H 0.000 . 3.790 3.943 3.906 3.984 0.194 10 0 "[ . 1 . 2]" 1
145 1 9 GLN HB3 1 10 CYS H 0.000 . 6.000 3.908 3.845 4.055 . 0 0 "[ . 1 . 2]" 1
146 1 9 GLN HG2 1 10 CYS H 0.000 . 3.550 3.046 2.609 3.556 0.006 11 0 "[ . 1 . 2]" 1
147 1 9 GLN HG2 1 13 GLY H 0.000 . 4.570 4.180 3.872 4.571 0.001 11 0 "[ . 1 . 2]" 1
148 1 9 GLN HG2 1 13 GLY QA 0.000 . 4.270 3.279 2.928 3.392 . 0 0 "[ . 1 . 2]" 1
149 1 9 GLN HG3 1 10 CYS H 0.000 . 3.300 2.480 2.107 2.863 . 0 0 "[ . 1 . 2]" 1
150 1 9 GLN HG3 1 13 GLY H 0.000 . 5.500 4.570 4.113 4.977 . 0 0 "[ . 1 . 2]" 1
151 1 9 GLN HG3 1 13 GLY QA 0.000 . 5.140 3.376 2.962 3.755 . 0 0 "[ . 1 . 2]" 1
152 1 9 GLN HG3 1 14 ASN H 0.000 . 6.000 4.562 4.118 4.890 . 0 0 "[ . 1 . 2]" 1
153 1 9 GLN HG3 1 15 CYS HA 0.000 . 6.000 3.581 3.343 3.817 . 0 0 "[ . 1 . 2]" 1
154 1 10 CYS H 1 10 CYS HA 0.000 . 2.650 2.823 2.808 2.841 0.191 8 0 "[ . 1 . 2]" 1
155 1 10 CYS H 1 10 CYS HB2 0.000 . 3.110 2.140 2.068 2.178 . 0 0 "[ . 1 . 2]" 1
156 1 10 CYS H 1 10 CYS QB 0.000 . 2.660 2.117 2.049 2.152 . 0 0 "[ . 1 . 2]" 1
157 1 10 CYS H 1 10 CYS HB3 0.000 . 3.110 3.350 3.338 3.361 0.251 8 0 "[ . 1 . 2]" 1
158 1 10 CYS H 1 11 SER H 0.000 . 6.000 4.343 4.296 4.393 . 0 0 "[ . 1 . 2]" 1
159 1 10 CYS H 1 13 GLY H 0.000 . 6.000 4.415 4.138 4.552 . 0 0 "[ . 1 . 2]" 1
160 1 10 CYS H 1 14 ASN H 0.000 . 4.320 4.023 3.879 4.139 . 0 0 "[ . 1 . 2]" 1
161 1 10 CYS H 1 15 CYS HA 0.000 . 2.930 3.006 2.971 3.041 0.111 15 0 "[ . 1 . 2]" 1
162 1 10 CYS H 1 15 CYS HB2 0.000 . 6.000 5.586 5.239 5.824 . 0 0 "[ . 1 . 2]" 1
163 1 10 CYS H 1 15 CYS HB3 0.000 . 6.000 5.130 4.839 5.413 . 0 0 "[ . 1 . 2]" 1
164 1 10 CYS H 1 16 ILE MD 0.000 . 7.000 5.539 4.488 5.790 . 0 0 "[ . 1 . 2]" 1
165 1 10 CYS H 1 16 ILE MG 0.000 . 7.000 4.666 4.055 5.006 . 0 0 "[ . 1 . 2]" 1
166 1 10 CYS HA 1 10 CYS HB2 0.000 . 2.860 2.941 2.927 2.950 0.090 9 0 "[ . 1 . 2]" 1
167 1 10 CYS HA 1 10 CYS QB 0.000 . 2.640 2.348 2.322 2.388 . 0 0 "[ . 1 . 2]" 1
168 1 10 CYS HA 1 10 CYS HB3 0.000 . 2.860 2.468 2.430 2.531 . 0 0 "[ . 1 . 2]" 1
169 1 10 CYS HA 1 11 SER H 0.000 . 2.400 2.488 2.472 2.524 0.124 3 0 "[ . 1 . 2]" 1
170 1 10 CYS QB 1 11 SER H 0.000 . 3.030 1.987 1.851 2.118 . 0 0 "[ . 1 . 2]" 1
171 1 10 CYS QB 1 12 ASP H 0.000 . 2.780 2.289 2.139 2.421 . 0 0 "[ . 1 . 2]" 1
172 1 10 CYS QB 1 13 GLY H 0.000 . 4.120 3.188 2.987 3.377 . 0 0 "[ . 1 . 2]" 1
173 1 10 CYS QB 1 14 ASN H 0.000 . 3.060 2.524 2.385 2.652 . 0 0 "[ . 1 . 2]" 1
174 1 10 CYS QB 1 28 CYS QB 0.000 . 4.430 3.124 2.977 3.261 . 0 0 "[ . 1 . 2]" 1
175 1 10 CYS HB2 1 11 SER H 0.000 . 3.450 3.263 3.168 3.362 . 0 0 "[ . 1 . 2]" 1
176 1 10 CYS HB2 1 12 ASP H 0.000 . 3.050 3.134 3.110 3.164 0.114 16 0 "[ . 1 . 2]" 1
177 1 10 CYS HB2 1 14 ASN H 0.000 . 3.610 2.574 2.418 2.726 . 0 0 "[ . 1 . 2]" 1
178 1 10 CYS HB3 1 11 SER H 0.000 . 3.450 2.005 1.862 2.140 . 0 0 "[ . 1 . 2]" 1
179 1 10 CYS HB3 1 12 ASP H 0.000 . 3.050 2.354 2.175 2.521 . 0 0 "[ . 1 . 2]" 1
180 1 10 CYS HB3 1 14 ASN H 0.000 . 3.610 3.651 3.625 3.674 0.064 6 0 "[ . 1 . 2]" 1
181 1 11 SER H 1 11 SER HA 0.000 . 2.740 2.894 2.890 2.897 0.157 14 0 "[ . 1 . 2]" 1
182 1 11 SER H 1 11 SER HB2 0.000 . 2.650 2.652 2.622 2.670 0.020 14 0 "[ . 1 . 2]" 1
183 1 11 SER H 1 11 SER HB3 0.000 . 2.590 2.599 2.581 2.614 0.024 16 0 "[ . 1 . 2]" 1
184 1 11 SER H 1 12 ASP H 0.000 . 2.830 2.214 2.157 2.273 . 0 0 "[ . 1 . 2]" 1
185 1 11 SER H 1 32 SER QB 0.000 . 4.150 1.767 1.662 1.980 . 0 0 "[ . 1 . 2]" 1
186 1 11 SER HA 1 12 ASP H 0.000 . 3.580 3.503 3.461 3.534 . 0 0 "[ . 1 . 2]" 1
187 1 11 SER HA 1 13 GLY H 0.000 . 3.480 3.453 3.393 3.486 0.006 8 0 "[ . 1 . 2]" 1
188 1 11 SER HB2 1 12 ASP H 0.000 . 4.010 4.013 3.924 4.037 0.027 16 0 "[ . 1 . 2]" 1
189 1 11 SER HB3 1 12 ASP H 0.000 . 3.020 2.975 2.848 3.031 0.011 16 0 "[ . 1 . 2]" 1
190 1 12 ASP H 1 12 ASP HA 0.000 . 2.740 2.847 2.838 2.856 0.116 15 0 "[ . 1 . 2]" 1
191 1 12 ASP H 1 12 ASP HB2 0.000 . 3.270 3.411 3.370 3.438 0.168 15 0 "[ . 1 . 2]" 1
192 1 12 ASP H 1 12 ASP QB 0.000 . 2.730 2.373 2.201 2.512 . 0 0 "[ . 1 . 2]" 1
193 1 12 ASP H 1 12 ASP HB3 0.000 . 3.170 2.423 2.228 2.592 . 0 0 "[ . 1 . 2]" 1
194 1 12 ASP H 1 13 GLY H 0.000 . 2.590 2.605 2.537 2.621 0.031 4 0 "[ . 1 . 2]" 1
195 1 12 ASP H 1 14 ASN H 0.000 . 5.190 3.550 3.396 3.693 . 0 0 "[ . 1 . 2]" 1
196 1 12 ASP HA 1 12 ASP HB2 0.000 . 2.400 2.375 2.263 2.455 0.055 7 0 "[ . 1 . 2]" 1
197 1 12 ASP HA 1 12 ASP HB3 0.000 . 2.400 2.423 2.341 2.499 0.099 11 0 "[ . 1 . 2]" 1
198 1 13 GLY H 1 13 GLY HA2 0.000 . 2.400 2.275 2.263 2.287 . 0 0 "[ . 1 . 2]" 1
199 1 13 GLY H 1 13 GLY HA3 0.000 . 2.650 2.814 2.785 2.834 0.184 9 0 "[ . 1 . 2]" 1
200 1 13 GLY H 1 14 ASN H 0.000 . 2.860 2.870 2.828 2.888 0.028 14 0 "[ . 1 . 2]" 1
201 1 13 GLY HA2 1 14 ASN H 0.000 . 3.580 3.371 3.300 3.414 . 0 0 "[ . 1 . 2]" 1
202 1 13 GLY HA3 1 14 ASN H 0.000 . 3.580 3.275 3.220 3.340 . 0 0 "[ . 1 . 2]" 1
203 1 14 ASN H 1 14 ASN HA 0.000 . 2.770 2.886 2.874 2.908 0.138 7 0 "[ . 1 . 2]" 1
204 1 14 ASN H 1 14 ASN HB2 0.000 . 2.960 2.669 2.589 2.760 . 0 0 "[ . 1 . 2]" 1
205 1 14 ASN H 1 14 ASN HB3 0.000 . 2.400 2.413 2.350 2.440 0.040 12 0 "[ . 1 . 2]" 1
206 1 14 ASN H 1 15 CYS H 0.000 . 6.000 4.561 4.436 4.629 . 0 0 "[ . 1 . 2]" 1
207 1 14 ASN HA 1 14 ASN HB2 0.000 . 2.400 2.425 2.404 2.441 0.041 12 0 "[ . 1 . 2]" 1
208 1 14 ASN HA 1 14 ASN HB3 0.000 . 2.990 3.015 3.005 3.023 0.033 8 0 "[ . 1 . 2]" 1
209 1 14 ASN HA 1 15 CYS H 0.000 . 2.400 2.362 2.186 2.448 0.048 9 0 "[ . 1 . 2]" 1
210 1 14 ASN HB2 1 15 CYS H 0.000 . 6.000 3.968 3.748 4.368 . 0 0 "[ . 1 . 2]" 1
211 1 14 ASN HB3 1 15 CYS H 0.000 . 6.000 3.835 3.531 4.366 . 0 0 "[ . 1 . 2]" 1
212 1 15 CYS H 1 16 ILE H 0.000 . 6.000 4.523 4.461 4.623 . 0 0 "[ . 1 . 2]" 1
213 1 15 CYS H 1 16 ILE MG 0.000 . 7.000 4.419 4.183 4.682 . 0 0 "[ . 1 . 2]" 1
214 1 15 CYS HA 1 15 CYS HB2 0.000 . 2.740 2.883 2.836 2.905 0.165 2 0 "[ . 1 . 2]" 1
215 1 15 CYS HA 1 15 CYS QB 0.000 . 2.420 2.267 2.188 2.400 . 0 0 "[ . 1 . 2]" 1
216 1 15 CYS HA 1 15 CYS HB3 0.000 . 2.740 2.380 2.263 2.589 . 0 0 "[ . 1 . 2]" 1
217 1 15 CYS HA 1 16 ILE H 0.000 . 2.400 2.238 2.214 2.284 . 0 0 "[ . 1 . 2]" 1
218 1 15 CYS HA 1 16 ILE MD 0.000 . 7.000 5.090 4.788 5.262 . 0 0 "[ . 1 . 2]" 1
219 1 15 CYS HA 1 16 ILE HG12 0.000 . 6.000 3.667 3.449 3.830 . 0 0 "[ . 1 . 2]" 1
220 1 15 CYS HA 1 16 ILE MG 0.000 . 6.530 3.505 3.401 3.680 . 0 0 "[ . 1 . 2]" 1
221 1 15 CYS QB 1 16 ILE H 0.000 . 3.470 2.533 2.328 2.731 . 0 0 "[ . 1 . 2]" 1
222 1 15 CYS HB2 1 16 ILE H 0.000 . 4.110 3.642 3.257 4.013 . 0 0 "[ . 1 . 2]" 1
223 1 15 CYS HB3 1 16 ILE H 0.000 . 4.110 2.586 2.385 2.786 . 0 0 "[ . 1 . 2]" 1
224 1 16 ILE H 1 16 ILE HA 0.000 . 2.830 2.925 2.912 2.930 0.100 1 0 "[ . 1 . 2]" 1
225 1 16 ILE H 1 16 ILE HB 0.000 . 3.860 3.752 3.724 3.791 . 0 0 "[ . 1 . 2]" 1
226 1 16 ILE H 1 16 ILE MD 0.000 . 4.450 3.876 3.823 3.905 . 0 0 "[ . 1 . 2]" 1
227 1 16 ILE H 1 16 ILE HG12 0.000 . 2.400 2.342 2.163 2.441 0.041 3 0 "[ . 1 . 2]" 1
228 1 16 ILE H 1 16 ILE HG13 0.000 . 2.860 2.719 2.587 2.908 0.048 2 0 "[ . 1 . 2]" 1
229 1 16 ILE H 1 16 ILE MG 0.000 . 4.480 2.917 2.798 3.119 . 0 0 "[ . 1 . 2]" 1
230 1 16 ILE HA 1 16 ILE HB 0.000 . 2.400 2.436 2.423 2.454 0.054 20 0 "[ . 1 . 2]" 1
231 1 16 ILE HA 1 17 HIS H 0.000 . 2.400 2.418 2.397 2.437 0.037 15 0 "[ . 1 . 2]" 1
232 1 16 ILE HA 1 17 HIS QB 0.000 . 7.000 4.191 4.145 4.225 . 0 0 "[ . 1 . 2]" 1
233 1 16 ILE HB 1 17 HIS H 0.000 . 2.550 2.565 2.511 2.581 0.031 11 0 "[ . 1 . 2]" 1
234 1 16 ILE HB 1 20 ARG QD 0.000 . 6.380 3.469 2.249 4.785 . 0 0 "[ . 1 . 2]" 1
235 1 16 ILE MD 1 17 HIS H 0.000 . 6.530 4.080 3.882 4.366 . 0 0 "[ . 1 . 2]" 1
236 1 16 ILE MD 1 17 HIS QB 0.000 . 8.000 4.769 4.539 5.242 . 0 0 "[ . 1 . 2]" 1
237 1 16 ILE MD 1 20 ARG H 0.000 . 6.530 3.536 3.113 4.342 . 0 0 "[ . 1 . 2]" 1
238 1 16 ILE MD 1 20 ARG QB 0.000 . 4.830 2.472 2.079 3.222 . 0 0 "[ . 1 . 2]" 1
239 1 16 ILE MD 1 21 GLN H 0.000 . 6.530 2.730 2.417 3.451 . 0 0 "[ . 1 . 2]" 1
240 1 16 ILE MD 1 27 ASP H 0.000 . 6.530 4.480 4.296 4.936 . 0 0 "[ . 1 . 2]" 1
241 1 16 ILE MD 1 27 ASP HB2 0.000 . 5.130 3.298 2.926 3.593 . 0 0 "[ . 1 . 2]" 1
242 1 16 ILE MD 1 27 ASP QB 0.000 . 4.870 3.187 2.842 3.426 . 0 0 "[ . 1 . 2]" 1
243 1 16 ILE MD 1 28 CYS H 0.000 . 6.060 4.803 4.691 4.892 . 0 0 "[ . 1 . 2]" 1
244 1 16 ILE MD 1 33 ASP H 0.000 . 7.000 4.617 4.267 4.766 . 0 0 "[ . 1 . 2]" 1
245 1 16 ILE MD 1 33 ASP HA 0.000 . 5.350 2.655 2.105 2.916 . 0 0 "[ . 1 . 2]" 1
246 1 16 ILE MD 1 33 ASP HB2 0.000 . 4.820 1.900 1.816 1.998 . 0 0 "[ . 1 . 2]" 1
247 1 16 ILE MD 1 33 ASP QB 0.000 . 4.250 1.887 1.801 1.985 . 0 0 "[ . 1 . 2]" 1
248 1 16 ILE MD 1 33 ASP HB3 0.000 . 4.820 3.241 2.583 3.417 . 0 0 "[ . 1 . 2]" 1
249 1 16 ILE HG12 1 17 HIS H 0.000 . 5.500 4.798 4.692 4.847 . 0 0 "[ . 1 . 2]" 1
250 1 16 ILE HG13 1 17 HIS H 0.000 . 3.670 3.669 3.623 3.694 0.024 10 0 "[ . 1 . 2]" 1
251 1 16 ILE HG13 1 17 HIS HA 0.000 . 4.850 4.315 4.183 4.378 . 0 0 "[ . 1 . 2]" 1
252 1 16 ILE MG 1 17 HIS H 0.000 . 6.530 3.869 3.790 3.903 . 0 0 "[ . 1 . 2]" 1
253 1 16 ILE MG 1 17 HIS QB 0.000 . 8.000 5.209 5.115 5.264 . 0 0 "[ . 1 . 2]" 1
254 1 16 ILE MG 1 20 ARG H 0.000 . 6.530 5.409 5.258 5.462 . 0 0 "[ . 1 . 2]" 1
255 1 16 ILE MG 1 20 ARG QB 0.000 . 4.830 3.101 2.981 3.259 . 0 0 "[ . 1 . 2]" 1
256 1 16 ILE MG 1 21 GLN H 0.000 . 6.530 5.442 5.406 5.465 . 0 0 "[ . 1 . 2]" 1
257 1 16 ILE MG 1 27 ASP H 0.000 . 6.530 3.842 3.617 3.975 . 0 0 "[ . 1 . 2]" 1
258 1 16 ILE MG 1 27 ASP HB2 0.000 . 5.440 1.976 1.895 2.104 . 0 0 "[ . 1 . 2]" 1
259 1 16 ILE MG 1 27 ASP HB3 0.000 . 5.440 2.187 2.073 2.259 . 0 0 "[ . 1 . 2]" 1
260 1 16 ILE MG 1 28 CYS H 0.000 . 6.280 3.499 3.094 3.742 . 0 0 "[ . 1 . 2]" 1
261 1 16 ILE MG 1 33 ASP H 0.000 . 7.000 4.675 4.283 4.859 . 0 0 "[ . 1 . 2]" 1
262 1 16 ILE MG 1 33 ASP HA 0.000 . 5.100 3.847 3.586 3.991 . 0 0 "[ . 1 . 2]" 1
263 1 16 ILE MG 1 33 ASP HB2 0.000 . 4.790 2.109 1.997 2.219 . 0 0 "[ . 1 . 2]" 1
264 1 16 ILE MG 1 33 ASP QB 0.000 . 4.300 2.025 1.927 2.137 . 0 0 "[ . 1 . 2]" 1
265 1 16 ILE MG 1 33 ASP HB3 0.000 . 4.790 2.644 2.172 2.806 . 0 0 "[ . 1 . 2]" 1
266 1 17 HIS H 1 17 HIS HA 0.000 . 2.860 2.886 2.877 2.911 0.051 2 0 "[ . 1 . 2]" 1
267 1 17 HIS H 1 17 HIS HB2 0.000 . 2.590 2.462 2.379 2.589 . 0 0 "[ . 1 . 2]" 1
268 1 17 HIS H 1 17 HIS QB 0.000 . 2.340 2.236 2.212 2.262 . 0 0 "[ . 1 . 2]" 1
269 1 17 HIS H 1 17 HIS HB3 0.000 . 2.590 2.574 2.425 2.629 0.039 8 0 "[ . 1 . 2]" 1
270 1 17 HIS H 1 18 GLY H 0.000 . 4.670 4.661 4.616 4.680 0.010 17 0 "[ . 1 . 2]" 1
271 1 17 HIS H 1 20 ARG QB 0.000 . 5.230 2.319 1.995 2.579 . 0 0 "[ . 1 . 2]" 1
272 1 17 HIS H 1 20 ARG QG 0.000 . 6.380 3.036 2.373 4.005 . 0 0 "[ . 1 . 2]" 1
273 1 17 HIS HA 1 17 HIS HB2 0.000 . 2.680 2.452 2.386 2.480 . 0 0 "[ . 1 . 2]" 1
274 1 17 HIS HA 1 17 HIS QB 0.000 . 2.460 2.324 2.280 2.341 . 0 0 "[ . 1 . 2]" 1
275 1 17 HIS HA 1 17 HIS HB3 0.000 . 2.680 2.882 2.874 2.896 0.216 17 0 "[ . 1 . 2]" 1
276 1 17 HIS HA 1 18 GLY H 0.000 . 2.550 2.368 2.331 2.400 . 0 0 "[ . 1 . 2]" 1
277 1 17 HIS HA 1 18 GLY QA 0.000 . 7.000 3.939 3.927 3.951 . 0 0 "[ . 1 . 2]" 1
278 1 17 HIS QB 1 19 SER H 0.000 . 3.590 2.599 2.522 2.832 . 0 0 "[ . 1 . 2]" 1
279 1 17 HIS QB 1 20 ARG QG 0.000 . 5.830 2.877 2.260 3.841 . 0 0 "[ . 1 . 2]" 1
280 1 17 HIS HB2 1 18 GLY H 0.000 . 4.010 4.022 3.997 4.045 0.035 11 0 "[ . 1 . 2]" 1
281 1 17 HIS HB2 1 19 SER H 0.000 . 4.070 4.095 4.081 4.118 0.048 1 0 "[ . 1 . 2]" 1
282 1 17 HIS HB2 1 20 ARG H 0.000 . 6.000 4.305 4.107 4.587 . 0 0 "[ . 1 . 2]" 1
283 1 17 HIS HB3 1 18 GLY H 0.000 . 4.010 3.553 3.458 3.785 . 0 0 "[ . 1 . 2]" 1
284 1 17 HIS HB3 1 19 SER H 0.000 . 4.070 2.629 2.546 2.886 . 0 0 "[ . 1 . 2]" 1
285 1 17 HIS HB3 1 20 ARG H 0.000 . 6.000 2.656 2.445 2.937 . 0 0 "[ . 1 . 2]" 1
286 1 18 GLY H 1 18 GLY HA2 0.000 . 2.550 2.728 2.714 2.738 0.188 14 0 "[ . 1 . 2]" 1
287 1 18 GLY H 1 18 GLY QA 0.000 . 2.320 2.172 2.167 2.182 . 0 0 "[ . 1 . 2]" 1
288 1 18 GLY H 1 18 GLY HA3 0.000 . 2.550 2.281 2.274 2.296 . 0 0 "[ . 1 . 2]" 1
289 1 18 GLY H 1 19 SER H 0.000 . 2.960 2.701 2.612 2.793 . 0 0 "[ . 1 . 2]" 1
290 1 18 GLY QA 1 19 SER H 0.000 . 3.140 2.849 2.815 2.889 . 0 0 "[ . 1 . 2]" 1
291 1 18 GLY QA 1 20 ARG H 0.000 . 4.700 3.799 3.660 3.905 . 0 0 "[ . 1 . 2]" 1
292 1 18 GLY QA 1 21 GLN H 0.000 . 4.500 3.892 3.848 3.944 . 0 0 "[ . 1 . 2]" 1
293 1 18 GLY HA2 1 19 SER H 0.000 . 3.450 3.411 3.386 3.452 0.002 1 0 "[ . 1 . 2]" 1
294 1 18 GLY HA2 1 20 ARG H 0.000 . 6.000 4.033 3.856 4.153 . 0 0 "[ . 1 . 2]" 1
295 1 18 GLY HA2 1 21 GLN H 0.000 . 6.000 4.035 3.990 4.095 . 0 0 "[ . 1 . 2]" 1
296 1 18 GLY HA3 1 19 SER H 0.000 . 3.450 3.053 2.995 3.134 . 0 0 "[ . 1 . 2]" 1
297 1 18 GLY HA3 1 20 ARG H 0.000 . 5.340 4.641 4.541 4.792 . 0 0 "[ . 1 . 2]" 1
298 1 18 GLY HA3 1 21 GLN H 0.000 . 5.340 5.113 5.053 5.175 . 0 0 "[ . 1 . 2]" 1
299 1 19 SER H 1 19 SER HA 0.000 . 2.680 2.867 2.862 2.872 0.192 1 0 "[ . 1 . 2]" 1
300 1 19 SER H 1 19 SER QB 0.000 . 3.650 2.482 2.309 2.709 . 0 0 "[ . 1 . 2]" 1
301 1 19 SER H 1 20 ARG H 0.000 . 2.770 2.378 2.328 2.457 . 0 0 "[ . 1 . 2]" 1
302 1 19 SER H 1 20 ARG QG 0.000 . 7.000 4.554 4.040 5.303 . 0 0 "[ . 1 . 2]" 1
303 1 19 SER HA 1 20 ARG H 0.000 . 3.520 3.411 3.336 3.455 . 0 0 "[ . 1 . 2]" 1
304 1 19 SER HA 1 21 GLN H 0.000 . 3.980 3.698 3.591 3.827 . 0 0 "[ . 1 . 2]" 1
305 1 20 ARG H 1 20 ARG HA 0.000 . 2.800 2.866 2.860 2.870 0.070 6 0 "[ . 1 . 2]" 1
306 1 20 ARG H 1 20 ARG HB2 0.000 . 3.170 1.958 1.945 1.974 . 0 0 "[ . 1 . 2]" 1
307 1 20 ARG H 1 20 ARG QB 0.000 . 2.670 1.944 1.931 1.959 . 0 0 "[ . 1 . 2]" 1
308 1 20 ARG H 1 20 ARG HB3 0.000 . 3.170 3.302 3.290 3.339 0.169 2 0 "[ . 1 . 2]" 1
309 1 20 ARG H 1 20 ARG QG 0.000 . 3.990 3.117 2.743 3.639 . 0 0 "[ . 1 . 2]" 1
310 1 20 ARG H 1 21 GLN H 0.000 . 2.520 2.349 2.268 2.452 . 0 0 "[ . 1 . 2]" 1
311 1 20 ARG HA 1 20 ARG HB2 0.000 . 2.630 2.823 2.816 2.848 0.218 2 0 "[ . 1 . 2]" 1
312 1 20 ARG HA 1 20 ARG QB 0.000 . 2.530 2.401 2.388 2.407 . 0 0 "[ . 1 . 2]" 1
313 1 20 ARG HA 1 20 ARG HB3 0.000 . 2.530 2.599 2.564 2.609 0.079 17 0 "[ . 1 . 2]" 1
314 1 20 ARG HA 1 20 ARG QG 0.000 . 3.740 2.253 2.051 2.820 . 0 0 "[ . 1 . 2]" 1
315 1 20 ARG HA 1 21 GLN H 0.000 . 3.210 3.279 3.243 3.338 0.128 17 0 "[ . 1 . 2]" 1
316 1 20 ARG HA 1 23 ASP QB 0.000 . 7.000 4.229 3.282 4.611 . 0 0 "[ . 1 . 2]" 1
317 1 21 GLN H 1 21 GLN HA 0.000 . 2.770 2.887 2.870 2.899 0.129 2 0 "[ . 1 . 2]" 1
318 1 21 GLN H 1 21 GLN HB2 0.000 . 2.490 2.521 2.493 2.555 0.065 10 0 "[ . 1 . 2]" 1
319 1 21 GLN H 1 21 GLN HB3 0.000 . 2.400 2.461 2.404 2.485 0.085 9 0 "[ . 1 . 2]" 1
320 1 21 GLN H 1 22 CYS H 0.000 . 6.000 4.493 4.395 4.552 . 0 0 "[ . 1 . 2]" 1
321 1 21 GLN HA 1 21 GLN HB2 0.000 . 2.590 2.539 2.461 2.572 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLN HA 1 21 GLN HG2 0.000 . 3.520 2.775 2.564 3.560 0.040 10 0 "[ . 1 . 2]" 1
323 1 21 GLN HA 1 21 GLN QG 0.000 . 3.230 2.414 2.363 2.499 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLN HA 1 21 GLN HG3 0.000 . 3.520 2.740 2.398 2.890 . 0 0 "[ . 1 . 2]" 1
325 1 21 GLN HA 1 22 CYS H 0.000 . 2.400 2.192 2.163 2.223 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLN HA 1 22 CYS HA 0.000 . 6.000 4.468 4.433 4.498 . 0 0 "[ . 1 . 2]" 1
327 1 21 GLN HA 1 23 ASP H 0.000 . 5.340 4.234 4.162 4.425 . 0 0 "[ . 1 . 2]" 1
328 1 21 GLN HB2 1 22 CYS H 0.000 . 6.000 4.278 4.109 4.419 . 0 0 "[ . 1 . 2]" 1
329 1 21 GLN HB3 1 22 CYS H 0.000 . 6.000 4.035 3.943 4.177 . 0 0 "[ . 1 . 2]" 1
330 1 21 GLN HB3 1 22 CYS HB2 0.000 . 6.000 4.564 3.937 4.809 . 0 0 "[ . 1 . 2]" 1
331 1 21 GLN HB3 1 22 CYS HB3 0.000 . 6.000 5.740 5.620 5.901 . 0 0 "[ . 1 . 2]" 1
332 1 21 GLN QG 1 22 CYS H 0.000 . 3.220 2.459 2.169 2.858 . 0 0 "[ . 1 . 2]" 1
333 1 21 GLN HG2 1 22 CYS H 0.000 . 3.670 2.643 2.355 3.478 . 0 0 "[ . 1 . 2]" 1
334 1 21 GLN HG3 1 22 CYS H 0.000 . 3.670 3.479 2.191 3.684 0.014 14 0 "[ . 1 . 2]" 1
335 1 22 CYS H 1 22 CYS HA 0.000 . 2.400 2.335 2.317 2.371 . 0 0 "[ . 1 . 2]" 1
336 1 22 CYS H 1 23 ASP H 0.000 . 2.740 2.794 2.763 2.838 0.098 6 0 "[ . 1 . 2]" 1
337 1 22 CYS H 1 33 ASP QB 0.000 . 6.000 5.144 4.276 5.289 . 0 0 "[ . 1 . 2]" 1
338 1 22 CYS H 1 34 GLU HA 0.000 . 3.360 2.632 2.119 3.023 . 0 0 "[ . 1 . 2]" 1
339 1 22 CYS HA 1 22 CYS HB2 0.000 . 2.740 2.916 2.857 2.926 0.186 11 0 "[ . 1 . 2]" 1
340 1 22 CYS HA 1 22 CYS QB 0.000 . 2.470 2.219 2.186 2.430 . 0 0 "[ . 1 . 2]" 1
341 1 22 CYS HA 1 22 CYS HB3 0.000 . 2.740 2.303 2.259 2.631 . 0 0 "[ . 1 . 2]" 1
342 1 22 CYS HA 1 23 ASP H 0.000 . 2.520 2.441 2.356 2.510 . 0 0 "[ . 1 . 2]" 1
343 1 22 CYS HA 1 24 ARG H 0.000 . 3.020 3.127 3.091 3.149 0.129 3 0 "[ . 1 . 2]" 1
344 1 22 CYS HA 1 37 CYS HB2 0.000 . 5.500 4.247 4.106 4.653 . 0 0 "[ . 1 . 2]" 1
345 1 22 CYS HA 1 37 CYS QB 0.000 . 5.150 3.939 3.831 4.133 . 0 0 "[ . 1 . 2]" 1
346 1 22 CYS HA 1 37 CYS HB3 0.000 . 5.500 4.699 4.200 5.243 . 0 0 "[ . 1 . 2]" 1
347 1 22 CYS QB 1 23 ASP H 0.000 . 7.000 3.787 3.763 3.825 . 0 0 "[ . 1 . 2]" 1
348 1 22 CYS QB 1 37 CYS HA 0.000 . 7.000 5.036 4.369 5.242 . 0 0 "[ . 1 . 2]" 1
349 1 22 CYS QB 1 37 CYS QB 0.000 . 8.000 3.473 2.938 3.691 . 0 0 "[ . 1 . 2]" 1
350 1 22 CYS HB2 1 37 CYS HB2 0.000 . 7.250 4.909 3.888 5.636 . 0 0 "[ . 1 . 2]" 1
351 1 22 CYS HB2 1 37 CYS HB3 0.000 . 7.250 5.362 4.414 5.702 . 0 0 "[ . 1 . 2]" 1
352 1 22 CYS HB3 1 37 CYS HB2 0.000 . 7.250 4.092 3.591 5.024 . 0 0 "[ . 1 . 2]" 1
353 1 22 CYS HB3 1 37 CYS HB3 0.000 . 7.250 4.142 3.056 5.316 . 0 0 "[ . 1 . 2]" 1
354 1 23 ASP H 1 24 ARG H 0.000 . 2.400 1.456 1.380 1.561 . 0 0 "[ . 1 . 2]" 1
355 1 23 ASP H 1 24 ARG HA 0.000 . 3.420 3.480 3.465 3.503 0.083 2 0 "[ . 1 . 2]" 1
356 1 23 ASP H 1 24 ARG QG 0.000 . 7.000 4.694 4.439 5.022 . 0 0 "[ . 1 . 2]" 1
357 1 23 ASP H 1 25 GLU H 0.000 . 3.420 3.259 3.156 3.426 0.006 11 0 "[ . 1 . 2]" 1
358 1 23 ASP HA 1 24 ARG QG 0.000 . 7.000 3.878 3.577 4.473 . 0 0 "[ . 1 . 2]" 1
359 1 23 ASP HA 1 25 GLU H 0.000 . 6.000 4.462 4.327 4.631 . 0 0 "[ . 1 . 2]" 1
360 1 23 ASP QB 1 25 GLU H 0.000 . 7.000 3.603 3.312 3.965 . 0 0 "[ . 1 . 2]" 1
361 1 23 ASP HB2 1 24 ARG H 0.000 . 5.340 4.177 4.067 4.410 . 0 0 "[ . 1 . 2]" 1
362 1 23 ASP HB3 1 24 ARG H 0.000 . 6.000 4.363 4.072 4.514 . 0 0 "[ . 1 . 2]" 1
363 1 24 ARG H 1 24 ARG HA 0.000 . 2.400 2.206 2.181 2.223 . 0 0 "[ . 1 . 2]" 1
364 1 24 ARG H 1 24 ARG HB2 0.000 . 3.670 3.774 3.744 3.791 0.121 13 0 "[ . 1 . 2]" 1
365 1 24 ARG H 1 24 ARG QB 0.000 . 3.380 2.746 2.669 2.801 . 0 0 "[ . 1 . 2]" 1
366 1 24 ARG H 1 24 ARG HB3 0.000 . 3.670 2.820 2.733 2.888 . 0 0 "[ . 1 . 2]" 1
367 1 24 ARG H 1 24 ARG QG 0.000 . 4.360 3.622 3.449 3.867 . 0 0 "[ . 1 . 2]" 1
368 1 24 ARG H 1 25 GLU H 0.000 . 2.650 2.743 2.718 2.812 0.162 10 0 "[ . 1 . 2]" 1
369 1 24 ARG H 1 34 GLU QB 0.000 . 7.000 4.211 3.232 4.451 . 0 0 "[ . 1 . 2]" 1
370 1 24 ARG HA 1 24 ARG HB2 0.000 . 2.520 2.289 2.242 2.333 . 0 0 "[ . 1 . 2]" 1
371 1 24 ARG HA 1 24 ARG QB 0.000 . 2.300 2.109 2.089 2.135 . 0 0 "[ . 1 . 2]" 1
372 1 24 ARG HA 1 24 ARG HB3 0.000 . 2.520 2.472 2.440 2.523 0.003 4 0 "[ . 1 . 2]" 1
373 1 24 ARG HA 1 24 ARG QG 0.000 . 3.770 3.411 3.386 3.427 . 0 0 "[ . 1 . 2]" 1
374 1 24 ARG HA 1 25 GLU H 0.000 . 2.800 2.782 2.711 2.819 0.019 5 0 "[ . 1 . 2]" 1
375 1 24 ARG HA 1 34 GLU QB 0.000 . 6.350 3.316 2.783 3.542 . 0 0 "[ . 1 . 2]" 1
376 1 24 ARG QB 1 25 GLU H 0.000 . 4.270 3.906 3.883 3.921 . 0 0 "[ . 1 . 2]" 1
377 1 24 ARG QB 1 26 TYR HA 0.000 . 6.220 5.545 5.508 5.594 . 0 0 "[ . 1 . 2]" 1
378 1 24 ARG QG 1 25 GLU H 0.000 . 7.000 3.693 3.593 3.777 . 0 0 "[ . 1 . 2]" 1
379 1 25 GLU H 1 25 GLU QB 0.000 . 3.460 2.456 2.191 2.597 . 0 0 "[ . 1 . 2]" 1
380 1 25 GLU H 1 25 GLU QG 0.000 . 4.610 2.805 2.359 4.012 . 0 0 "[ . 1 . 2]" 1
381 1 25 GLU H 1 26 TYR H 0.000 . 6.000 2.857 2.746 2.909 . 0 0 "[ . 1 . 2]" 1
382 1 25 GLU H 1 34 GLU QB 0.000 . 7.000 5.108 4.715 5.413 . 0 0 "[ . 1 . 2]" 1
383 1 25 GLU HA 1 26 TYR H 0.000 . 2.400 2.510 2.464 2.555 0.155 17 0 "[ . 1 . 2]" 1
384 1 25 GLU QB 1 26 TYR H 0.000 . 3.960 3.677 3.650 3.702 . 0 0 "[ . 1 . 2]" 1
385 1 25 GLU QG 1 26 TYR H 0.000 . 5.820 4.323 4.240 4.599 . 0 0 "[ . 1 . 2]" 1
386 1 26 TYR H 1 26 TYR HA 0.000 . 2.650 2.504 2.458 2.541 . 0 0 "[ . 1 . 2]" 1
387 1 26 TYR H 1 26 TYR HB2 0.000 . 2.710 2.693 2.593 2.747 0.037 16 0 "[ . 1 . 2]" 1
388 1 26 TYR H 1 26 TYR HB3 0.000 . 2.710 2.614 2.350 2.763 0.053 15 0 "[ . 1 . 2]" 1
389 1 26 TYR H 1 27 ASP H 0.000 . 6.000 3.876 3.637 4.021 . 0 0 "[ . 1 . 2]" 1
390 1 26 TYR HA 1 34 GLU QB 0.000 . 4.860 3.712 3.384 4.336 . 0 0 "[ . 1 . 2]" 1
391 1 26 TYR QB 1 31 MET HA 0.000 . 4.690 4.001 3.901 4.039 . 0 0 "[ . 1 . 2]" 1
392 1 26 TYR HB2 1 31 MET HA 0.000 . 6.000 4.122 3.993 4.175 . 0 0 "[ . 1 . 2]" 1
393 1 26 TYR HB3 1 31 MET HA 0.000 . 6.000 5.411 5.348 5.478 . 0 0 "[ . 1 . 2]" 1
394 1 27 ASP H 1 27 ASP HA 0.000 . 2.650 2.756 2.724 2.771 0.121 3 0 "[ . 1 . 2]" 1
395 1 27 ASP H 1 27 ASP HB2 0.000 . 3.240 2.249 2.001 2.381 . 0 0 "[ . 1 . 2]" 1
396 1 27 ASP H 1 27 ASP QB 0.000 . 2.780 2.219 1.986 2.337 . 0 0 "[ . 1 . 2]" 1
397 1 27 ASP H 1 27 ASP HB3 0.000 . 3.240 3.404 3.334 3.421 0.181 6 0 "[ . 1 . 2]" 1
398 1 27 ASP H 1 28 CYS H 0.000 . 2.400 2.449 2.421 2.486 0.086 15 0 "[ . 1 . 2]" 1
399 1 27 ASP H 1 34 GLU QB 0.000 . 7.000 4.967 4.788 5.392 . 0 0 "[ . 1 . 2]" 1
400 1 27 ASP H 1 34 GLU QG 0.000 . 7.000 3.240 3.162 3.368 . 0 0 "[ . 1 . 2]" 1
401 1 27 ASP HA 1 27 ASP QB 0.000 . 2.620 2.389 2.335 2.494 . 0 0 "[ . 1 . 2]" 1
402 1 27 ASP HA 1 28 CYS H 0.000 . 3.170 3.351 3.323 3.370 0.200 16 0 "[ . 1 . 2]" 1
403 1 27 ASP HA 1 34 GLU QG 0.000 . 6.380 5.705 5.644 5.800 . 0 0 "[ . 1 . 2]" 1
404 1 27 ASP QB 1 28 CYS H 0.000 . 3.780 2.378 2.203 2.760 . 0 0 "[ . 1 . 2]" 1
405 1 28 CYS H 1 28 CYS HB2 0.000 . 3.390 2.226 2.204 2.256 . 0 0 "[ . 1 . 2]" 1
406 1 28 CYS H 1 28 CYS QB 0.000 . 2.900 2.202 2.181 2.231 . 0 0 "[ . 1 . 2]" 1
407 1 28 CYS H 1 28 CYS HB3 0.000 . 3.390 3.492 3.475 3.514 0.124 17 0 "[ . 1 . 2]" 1
408 1 28 CYS H 1 29 LYS H 0.000 . 6.000 4.555 4.501 4.586 . 0 0 "[ . 1 . 2]" 1
409 1 28 CYS H 1 29 LYS QE 0.000 . 6.380 4.953 4.553 5.483 . 0 0 "[ . 1 . 2]" 1
410 1 28 CYS H 1 31 MET H 0.000 . 6.000 4.311 3.952 4.521 . 0 0 "[ . 1 . 2]" 1
411 1 28 CYS H 1 31 MET HA 0.000 . 6.000 3.893 3.495 4.193 . 0 0 "[ . 1 . 2]" 1
412 1 28 CYS H 1 33 ASP H 0.000 . 3.790 3.695 3.577 3.792 0.002 3 0 "[ . 1 . 2]" 1
413 1 28 CYS H 1 33 ASP HB2 0.000 . 6.000 3.803 3.603 4.116 . 0 0 "[ . 1 . 2]" 1
414 1 28 CYS H 1 33 ASP HB3 0.000 . 6.000 2.859 2.647 3.092 . 0 0 "[ . 1 . 2]" 1
415 1 28 CYS HA 1 29 LYS H 0.000 . 2.400 2.166 2.123 2.223 . 0 0 "[ . 1 . 2]" 1
416 1 28 CYS HA 1 30 ASP H 0.000 . 4.760 3.804 3.732 3.883 . 0 0 "[ . 1 . 2]" 1
417 1 28 CYS QB 1 29 LYS H 0.000 . 3.950 3.020 2.770 3.174 . 0 0 "[ . 1 . 2]" 1
418 1 28 CYS QB 1 30 ASP H 0.000 . 7.000 2.422 2.229 2.562 . 0 0 "[ . 1 . 2]" 1
419 1 28 CYS QB 1 31 MET H 0.000 . 3.680 2.987 2.767 3.186 . 0 0 "[ . 1 . 2]" 1
420 1 28 CYS QB 1 32 SER H 0.000 . 2.980 2.736 2.623 2.780 . 0 0 "[ . 1 . 2]" 1
421 1 28 CYS QB 1 33 ASP H 0.000 . 3.170 2.444 2.285 2.553 . 0 0 "[ . 1 . 2]" 1
422 1 28 CYS HB2 1 29 LYS H 0.000 . 4.690 4.209 4.047 4.300 . 0 0 "[ . 1 . 2]" 1
423 1 28 CYS HB2 1 32 SER H 0.000 . 3.330 3.160 2.982 3.262 . 0 0 "[ . 1 . 2]" 1
424 1 28 CYS HB2 1 33 ASP H 0.000 . 3.860 2.481 2.312 2.596 . 0 0 "[ . 1 . 2]" 1
425 1 28 CYS HB3 1 29 LYS H 0.000 . 4.690 3.095 2.821 3.268 . 0 0 "[ . 1 . 2]" 1
426 1 28 CYS HB3 1 32 SER H 0.000 . 3.330 3.001 2.873 3.071 . 0 0 "[ . 1 . 2]" 1
427 1 28 CYS HB3 1 33 ASP H 0.000 . 3.860 3.689 3.550 3.827 . 0 0 "[ . 1 . 2]" 1
428 1 29 LYS H 1 29 LYS HA 0.000 . 2.680 2.779 2.764 2.808 0.128 11 0 "[ . 1 . 2]" 1
429 1 29 LYS H 1 29 LYS QB 0.000 . 3.430 2.366 2.032 2.667 . 0 0 "[ . 1 . 2]" 1
430 1 29 LYS H 1 29 LYS QD 0.000 . 4.610 2.743 1.883 3.918 . 0 0 "[ . 1 . 2]" 1
431 1 29 LYS H 1 30 ASP H 0.000 . 2.770 2.605 2.474 2.734 . 0 0 "[ . 1 . 2]" 1
432 1 29 LYS H 1 31 MET H 0.000 . 6.000 4.110 3.963 4.287 . 0 0 "[ . 1 . 2]" 1
433 1 29 LYS HA 1 30 ASP H 0.000 . 3.210 3.301 3.242 3.324 0.114 8 0 "[ . 1 . 2]" 1
434 1 29 LYS HA 1 31 MET H 0.000 . 3.920 3.658 3.494 3.940 0.020 11 0 "[ . 1 . 2]" 1
435 1 29 LYS QB 1 30 ASP H 0.000 . 3.930 3.119 2.754 3.615 . 0 0 "[ . 1 . 2]" 1
436 1 29 LYS QD 1 30 ASP H 0.000 . 7.000 4.428 3.539 5.216 . 0 0 "[ . 1 . 2]" 1
437 1 29 LYS QE 1 31 MET H 0.000 . 6.380 5.112 4.260 5.615 . 0 0 "[ . 1 . 2]" 1
438 1 30 ASP H 1 30 ASP HA 0.000 . 2.740 2.889 2.865 2.913 0.173 17 0 "[ . 1 . 2]" 1
439 1 30 ASP H 1 30 ASP HB2 0.000 . 2.900 2.663 2.353 2.963 0.063 20 0 "[ . 1 . 2]" 1
440 1 30 ASP H 1 30 ASP QB 0.000 . 2.640 2.208 1.920 2.465 . 0 0 "[ . 1 . 2]" 1
441 1 30 ASP H 1 30 ASP HB3 0.000 . 2.900 2.436 1.945 2.726 . 0 0 "[ . 1 . 2]" 1
442 1 30 ASP H 1 31 MET H 0.000 . 2.520 2.340 2.009 2.509 . 0 0 "[ . 1 . 2]" 1
443 1 30 ASP H 1 31 MET HA 0.000 . 6.000 4.524 4.173 4.662 . 0 0 "[ . 1 . 2]" 1
444 1 30 ASP H 1 32 SER H 0.000 . 4.260 3.525 3.122 3.872 . 0 0 "[ . 1 . 2]" 1
445 1 30 ASP HA 1 30 ASP HB2 0.000 . 2.590 2.384 2.215 2.523 . 0 0 "[ . 1 . 2]" 1
446 1 30 ASP HA 1 30 ASP QB 0.000 . 2.370 2.270 2.143 2.363 . 0 0 "[ . 1 . 2]" 1
447 1 30 ASP HA 1 30 ASP HB3 0.000 . 2.690 2.865 2.845 2.879 0.189 10 0 "[ . 1 . 2]" 1
448 1 30 ASP HA 1 31 MET H 0.000 . 3.110 3.158 3.125 3.192 0.082 7 0 "[ . 1 . 2]" 1
449 1 31 MET H 1 31 MET HA 0.000 . 2.400 2.332 2.313 2.351 . 0 0 "[ . 1 . 2]" 1
450 1 31 MET H 1 31 MET HB2 0.000 . 3.920 3.251 3.019 3.935 0.015 4 0 "[ . 1 . 2]" 1
451 1 31 MET H 1 31 MET QB 0.000 . 3.680 3.001 2.868 3.411 . 0 0 "[ . 1 . 2]" 1
452 1 31 MET H 1 31 MET HB3 0.000 . 3.920 3.701 2.947 3.971 0.051 9 0 "[ . 1 . 2]" 1
453 1 31 MET H 1 32 SER H 0.000 . 2.900 2.747 2.597 2.926 0.026 3 0 "[ . 1 . 2]" 1
454 1 31 MET H 1 33 ASP H 0.000 . 6.000 4.202 4.034 4.382 . 0 0 "[ . 1 . 2]" 1
455 1 31 MET H 1 34 GLU QG 0.000 . 7.000 5.934 5.337 6.223 . 0 0 "[ . 1 . 2]" 1
456 1 31 MET HA 1 32 SER H 0.000 . 3.390 3.113 3.054 3.232 . 0 0 "[ . 1 . 2]" 1
457 1 31 MET HA 1 33 ASP H 0.000 . 3.640 3.161 3.096 3.279 . 0 0 "[ . 1 . 2]" 1
458 1 31 MET HA 1 34 GLU H 0.000 . 6.000 3.794 3.534 4.001 . 0 0 "[ . 1 . 2]" 1
459 1 31 MET HB2 1 32 SER H 0.000 . 6.000 4.309 3.832 4.569 . 0 0 "[ . 1 . 2]" 1
460 1 31 MET HB3 1 32 SER H 0.000 . 6.000 4.002 3.756 4.546 . 0 0 "[ . 1 . 2]" 1
461 1 32 SER H 1 32 SER HA 0.000 . 2.800 2.859 2.853 2.873 0.073 4 0 "[ . 1 . 2]" 1
462 1 32 SER H 1 32 SER HB2 0.000 . 3.760 2.538 2.122 3.567 . 0 0 "[ . 1 . 2]" 1
463 1 32 SER H 1 32 SER QB 0.000 . 3.110 2.335 2.101 2.760 . 0 0 "[ . 1 . 2]" 1
464 1 32 SER H 1 32 SER HB3 0.000 . 3.760 3.123 2.453 3.598 . 0 0 "[ . 1 . 2]" 1
465 1 32 SER H 1 33 ASP H 0.000 . 3.080 2.661 2.548 2.809 . 0 0 "[ . 1 . 2]" 1
466 1 32 SER H 1 35 VAL QG 0.000 . 8.400 4.563 4.296 4.931 . 0 0 "[ . 1 . 2]" 1
467 1 32 SER HA 1 33 ASP H 0.000 . 3.390 3.283 3.229 3.325 . 0 0 "[ . 1 . 2]" 1
468 1 32 SER HA 1 34 GLU H 0.000 . 3.300 3.354 3.330 3.376 0.076 2 0 "[ . 1 . 2]" 1
469 1 32 SER QB 1 35 VAL QG 0.000 . 8.040 3.122 2.669 3.720 . 0 0 "[ . 1 . 2]" 1
470 1 32 SER HB2 1 35 VAL MG1 0.000 . 9.650 4.029 2.841 5.440 . 0 0 "[ . 1 . 2]" 1
471 1 32 SER HB2 1 35 VAL MG2 0.000 . 9.650 5.329 4.428 6.021 . 0 0 "[ . 1 . 2]" 1
472 1 32 SER HB3 1 35 VAL MG1 0.000 . 9.650 3.535 2.765 4.273 . 0 0 "[ . 1 . 2]" 1
473 1 32 SER HB3 1 35 VAL MG2 0.000 . 9.650 5.156 4.242 5.958 . 0 0 "[ . 1 . 2]" 1
474 1 33 ASP H 1 33 ASP HB2 0.000 . 3.390 3.518 3.498 3.533 0.143 16 0 "[ . 1 . 2]" 1
475 1 33 ASP H 1 33 ASP QB 0.000 . 2.940 2.398 2.202 2.467 . 0 0 "[ . 1 . 2]" 1
476 1 33 ASP H 1 33 ASP HB3 0.000 . 3.390 2.442 2.226 2.519 . 0 0 "[ . 1 . 2]" 1
477 1 33 ASP H 1 34 GLU H 0.000 . 2.430 2.155 2.091 2.267 . 0 0 "[ . 1 . 2]" 1
478 1 33 ASP H 1 34 GLU QB 0.000 . 7.000 3.684 3.619 3.992 . 0 0 "[ . 1 . 2]" 1
479 1 33 ASP H 1 34 GLU QG 0.000 . 6.380 3.907 3.200 4.086 . 0 0 "[ . 1 . 2]" 1
480 1 33 ASP H 1 35 VAL H 0.000 . 6.000 4.043 3.859 4.200 . 0 0 "[ . 1 . 2]" 1
481 1 33 ASP H 1 35 VAL QG 0.000 . 8.400 4.470 4.308 4.591 . 0 0 "[ . 1 . 2]" 1
482 1 33 ASP HA 1 33 ASP HB2 0.000 . 2.400 2.314 2.210 2.360 . 0 0 "[ . 1 . 2]" 1
483 1 33 ASP HA 1 33 ASP HB3 0.000 . 2.400 2.494 2.472 2.566 0.166 15 0 "[ . 1 . 2]" 1
484 1 33 ASP HA 1 34 GLU H 0.000 . 3.300 3.336 3.323 3.365 0.065 5 0 "[ . 1 . 2]" 1
485 1 33 ASP HA 1 35 VAL H 0.000 . 6.000 3.651 3.475 3.784 . 0 0 "[ . 1 . 2]" 1
486 1 33 ASP HB2 1 34 GLU H 0.000 . 6.000 4.234 4.151 4.343 . 0 0 "[ . 1 . 2]" 1
487 1 33 ASP HB3 1 34 GLU H 0.000 . 5.340 3.982 3.775 4.062 . 0 0 "[ . 1 . 2]" 1
488 1 34 GLU H 1 34 GLU HB2 0.000 . 3.240 2.190 2.145 2.290 . 0 0 "[ . 1 . 2]" 1
489 1 34 GLU H 1 34 GLU QB 0.000 . 2.730 2.166 2.124 2.261 . 0 0 "[ . 1 . 2]" 1
490 1 34 GLU H 1 34 GLU HB3 0.000 . 3.240 3.431 3.408 3.481 0.241 5 0 "[ . 1 . 2]" 1
491 1 34 GLU H 1 34 GLU QG 0.000 . 4.300 3.015 2.398 3.144 . 0 0 "[ . 1 . 2]" 1
492 1 34 GLU H 1 35 VAL H 0.000 . 2.490 2.427 2.303 2.511 0.021 15 0 "[ . 1 . 2]" 1
493 1 34 GLU H 1 35 VAL QG 0.000 . 6.510 3.856 3.183 4.009 . 0 0 "[ . 1 . 2]" 1
494 1 34 GLU HA 1 34 GLU HB2 0.000 . 2.960 2.992 2.982 3.006 0.046 15 0 "[ . 1 . 2]" 1
495 1 34 GLU HA 1 34 GLU QB 0.000 . 2.610 2.453 2.352 2.474 . 0 0 "[ . 1 . 2]" 1
496 1 34 GLU HA 1 34 GLU HB3 0.000 . 2.960 2.606 2.457 2.641 . 0 0 "[ . 1 . 2]" 1
497 1 34 GLU HA 1 35 VAL H 0.000 . 2.800 2.875 2.857 2.894 0.094 17 0 "[ . 1 . 2]" 1
498 1 34 GLU HA 1 35 VAL QG 0.000 . 8.400 4.705 4.180 4.766 . 0 0 "[ . 1 . 2]" 1
499 1 34 GLU QB 1 35 VAL H 0.000 . 7.000 3.624 3.578 3.670 . 0 0 "[ . 1 . 2]" 1
500 1 35 VAL H 1 35 VAL HA 0.000 . 2.650 2.873 2.859 2.878 0.228 5 0 "[ . 1 . 2]" 1
501 1 35 VAL H 1 35 VAL HB 0.000 . 2.400 2.472 2.442 2.495 0.095 3 0 "[ . 1 . 2]" 1
502 1 35 VAL H 1 35 VAL QG 0.000 . 3.970 2.682 2.437 2.937 . 0 0 "[ . 1 . 2]" 1
503 1 35 VAL H 1 36 GLY H 0.000 . 4.170 4.244 4.212 4.282 0.112 4 0 "[ . 1 . 2]" 1
504 1 35 VAL HA 1 35 VAL HB 0.000 . 2.550 2.635 2.577 2.834 0.284 6 0 "[ . 1 . 2]" 1
505 1 35 VAL HA 1 35 VAL MG1 0.000 . 3.460 3.049 2.487 3.099 . 0 0 "[ . 1 . 2]" 1
506 1 35 VAL HA 1 35 VAL MG2 0.000 . 3.460 2.173 2.118 2.386 . 0 0 "[ . 1 . 2]" 1
507 1 35 VAL HA 1 36 GLY H 0.000 . 2.400 2.264 2.159 2.410 0.010 5 0 "[ . 1 . 2]" 1
508 1 35 VAL HA 1 37 CYS H 0.000 . 3.450 3.043 2.997 3.189 . 0 0 "[ . 1 . 2]" 1
509 1 35 VAL HB 1 36 GLY H 0.000 . 3.670 3.764 3.707 3.813 0.143 3 0 "[ . 1 . 2]" 1
510 1 35 VAL QG 1 36 GLY H 0.000 . 4.350 1.935 1.813 2.142 . 0 0 "[ . 1 . 2]" 1
511 1 35 VAL QG 1 36 GLY QA 0.000 . 7.670 2.702 2.666 2.896 . 0 0 "[ . 1 . 2]" 1
512 1 35 VAL QG 1 37 CYS H 0.000 . 8.400 3.676 3.590 3.917 . 0 0 "[ . 1 . 2]" 1
513 1 35 VAL MG1 1 36 GLY H 0.000 . 5.380 2.378 2.154 2.604 . 0 0 "[ . 1 . 2]" 1
514 1 35 VAL MG2 1 36 GLY H 0.000 . 5.380 2.133 1.849 3.799 . 0 0 "[ . 1 . 2]" 1
515 1 36 GLY H 1 36 GLY HA2 0.000 . 2.650 2.302 2.282 2.330 . 0 0 "[ . 1 . 2]" 1
516 1 36 GLY H 1 36 GLY QA 0.000 . 2.370 2.197 2.188 2.210 . 0 0 "[ . 1 . 2]" 1
517 1 36 GLY H 1 36 GLY HA3 0.000 . 2.650 2.780 2.746 2.808 0.158 5 0 "[ . 1 . 2]" 1
518 1 36 GLY H 1 37 CYS H 0.000 . 2.590 2.658 2.610 2.682 0.092 4 0 "[ . 1 . 2]" 1
519 1 36 GLY QA 1 37 CYS H 0.000 . 2.930 2.804 2.752 2.821 . 0 0 "[ . 1 . 2]" 1
520 1 36 GLY QA 1 38 VAL H 0.000 . 7.000 4.470 3.918 4.754 . 0 0 "[ . 1 . 2]" 1
521 1 36 GLY HA2 1 37 CYS H 0.000 . 3.210 3.114 2.952 3.222 0.012 13 0 "[ . 1 . 2]" 1
522 1 36 GLY HA3 1 37 CYS H 0.000 . 3.210 3.193 3.086 3.287 0.077 10 0 "[ . 1 . 2]" 1
523 1 37 CYS H 1 37 CYS HA 0.000 . 2.620 2.798 2.722 2.861 0.241 4 0 "[ . 1 . 2]" 1
524 1 37 CYS H 1 37 CYS HB2 0.000 . 3.020 2.345 1.850 2.867 . 0 0 "[ . 1 . 2]" 1
525 1 37 CYS H 1 37 CYS QB 0.000 . 2.580 2.135 1.839 2.199 . 0 0 "[ . 1 . 2]" 1
526 1 37 CYS H 1 37 CYS HB3 0.000 . 3.020 2.629 2.005 3.236 0.216 10 0 "[ . 1 . 2]" 1
527 1 37 CYS H 1 38 VAL H 0.000 . 3.330 2.836 2.592 3.172 . 0 0 "[ . 1 . 2]" 1
528 1 37 CYS HA 1 37 CYS HB2 0.000 . 2.680 2.428 2.196 2.802 0.122 10 0 "[ . 1 . 2]" 1
529 1 37 CYS HA 1 37 CYS QB 0.000 . 2.400 2.288 2.125 2.418 0.018 4 0 "[ . 1 . 2]" 1
530 1 37 CYS HA 1 37 CYS HB3 0.000 . 2.680 2.842 2.567 2.882 0.202 3 0 "[ . 1 . 2]" 1
531 1 37 CYS HA 1 38 VAL H 0.000 . 3.610 3.506 3.478 3.523 . 0 0 "[ . 1 . 2]" 1
532 1 37 CYS HA 1 38 VAL QG 0.000 . 8.400 4.042 3.748 4.857 . 0 0 "[ . 1 . 2]" 1
533 1 37 CYS QB 1 38 VAL H 0.000 . 3.120 2.013 1.856 2.343 . 0 0 "[ . 1 . 2]" 1
534 1 37 CYS HB2 1 38 VAL H 0.000 . 3.520 3.324 2.350 3.535 0.015 6 0 "[ . 1 . 2]" 1
535 1 37 CYS HB2 1 39 ASN H 0.000 . 5.340 5.326 4.762 5.403 0.063 6 0 "[ . 1 . 2]" 1
536 1 37 CYS HB3 1 38 VAL H 0.000 . 3.520 2.045 1.864 2.387 . 0 0 "[ . 1 . 2]" 1
537 1 37 CYS HB3 1 39 ASN H 0.000 . 5.340 4.473 4.224 5.025 . 0 0 "[ . 1 . 2]" 1
538 1 38 VAL H 1 38 VAL HA 0.000 . 2.900 2.957 2.944 2.966 0.066 13 0 "[ . 1 . 2]" 1
539 1 38 VAL H 1 38 VAL HB 0.000 . 2.710 2.724 2.694 2.741 0.031 11 0 "[ . 1 . 2]" 1
540 1 38 VAL H 1 39 ASN H 0.000 . 2.930 2.756 2.415 2.956 0.026 5 0 "[ . 1 . 2]" 1
541 1 38 VAL HA 1 39 ASN H 0.000 . 2.520 2.556 2.496 2.588 0.068 8 0 "[ . 1 . 2]" 1
542 1 38 VAL HB 1 39 ASN H 0.000 . 4.540 4.274 4.190 4.469 . 0 0 "[ . 1 . 2]" 1
543 1 38 VAL QG 1 39 ASN H 0.000 . 6.720 3.688 3.499 3.728 . 0 0 "[ . 1 . 2]" 1
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