NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370886 |
1c4e   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1c4e
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 612
_Distance_constraint_stats_list.Viol_count 882
_Distance_constraint_stats_list.Viol_total 701.695
_Distance_constraint_stats_list.Viol_max 0.161
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0398
_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 PCA 0.001 0.001 13 0 "[ . 1 . 2]"
1 2 GLN 0.338 0.063 13 0 "[ . 1 . 2]"
1 3 CYS 3.238 0.142 11 0 "[ . 1 . 2]"
1 4 VAL 1.347 0.098 10 0 "[ . 1 . 2]"
1 5 LYS 6.037 0.099 14 0 "[ . 1 . 2]"
1 6 LYS 0.225 0.047 14 0 "[ . 1 . 2]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 2.640 0.113 9 0 "[ . 1 . 2]"
1 9 LEU 1.986 0.058 11 0 "[ . 1 . 2]"
1 10 CYS 0.544 0.028 9 0 "[ . 1 . 2]"
1 11 ILE 1.797 0.107 16 0 "[ . 1 . 2]"
1 12 PRO 0.404 0.090 11 0 "[ . 1 . 2]"
1 13 TYR 0.280 0.090 11 0 "[ . 1 . 2]"
1 14 TYR 0.098 0.024 17 0 "[ . 1 . 2]"
1 15 LEU 0.204 0.022 20 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 3.274 0.121 10 0 "[ . 1 . 2]"
1 18 CYS 5.307 0.142 11 0 "[ . 1 . 2]"
1 19 GLU 0.285 0.042 12 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.126 0.019 6 0 "[ . 1 . 2]"
1 22 GLU 0.260 0.019 19 0 "[ . 1 . 2]"
1 23 CYS 0.169 0.042 14 0 "[ . 1 . 2]"
1 24 LYS 2.014 0.074 19 0 "[ . 1 . 2]"
1 25 LYS 1.346 0.104 9 0 "[ . 1 . 2]"
1 26 VAL 0.463 0.053 6 0 "[ . 1 . 2]"
1 27 ASN 4.458 0.161 4 0 "[ . 1 . 2]"
1 28 TRP 1.799 0.069 16 0 "[ . 1 . 2]"
1 29 TRP 0.288 0.027 10 0 "[ . 1 . 2]"
1 30 ASP 0.416 0.048 6 0 "[ . 1 . 2]"
1 31 HIS 1.934 0.090 15 0 "[ . 1 . 2]"
1 32 LYS 4.231 0.126 17 0 "[ . 1 . 2]"
1 33 CYS 6.376 0.126 17 0 "[ . 1 . 2]"
1 34 ILE 0.849 0.070 6 0 "[ . 1 . 2]"
1 35 GLY 0.143 0.023 6 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 1 PCA HA 1 2 GLN H 0.000 . 2.900 2.457 2.147 2.901 0.001 13 0 "[ . 1 . 2]" 1
2 1 2 GLN H 1 2 GLN HB2 0.000 . 3.580 3.253 2.586 3.560 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN H 1 2 GLN QB 0.000 . 3.310 2.816 2.245 3.008 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLN H 1 2 GLN HB3 0.000 . 3.580 3.150 2.367 3.548 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLN H 1 2 GLN QG 0.000 . 4.810 2.234 1.228 4.252 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLN HA 1 3 CYS H 0.000 . 2.400 2.336 2.189 2.463 0.063 13 0 "[ . 1 . 2]" 1
7 1 2 GLN QB 1 3 CYS H 0.000 . 3.370 2.853 2.592 3.143 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLN HB2 1 3 CYS H 0.000 . 3.580 3.167 2.704 3.597 0.017 1 0 "[ . 1 . 2]" 1
9 1 2 GLN HB3 1 3 CYS H 0.000 . 3.580 3.337 2.766 3.590 0.010 3 0 "[ . 1 . 2]" 1
10 1 2 GLN QG 1 3 CYS H 0.000 . 6.230 3.659 1.197 4.613 . 0 0 "[ . 1 . 2]" 1
11 1 3 CYS H 1 3 CYS HB2 0.000 . 3.520 3.540 3.514 3.573 0.053 19 0 "[ . 1 . 2]" 1
12 1 3 CYS H 1 3 CYS HB3 0.000 . 3.050 2.278 2.227 2.357 . 0 0 "[ . 1 . 2]" 1
13 1 3 CYS H 1 4 VAL H 0.000 . 4.630 4.335 4.210 4.437 . 0 0 "[ . 1 . 2]" 1
14 1 3 CYS H 1 4 VAL QG 0.000 . 8.070 4.579 4.476 4.708 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS HA 1 3 CYS HB2 0.000 . 2.770 2.307 2.298 2.318 . 0 0 "[ . 1 . 2]" 1
16 1 3 CYS HA 1 3 CYS HB3 0.000 . 2.740 2.645 2.625 2.658 . 0 0 "[ . 1 . 2]" 1
17 1 3 CYS HA 1 4 VAL H 0.000 . 3.270 2.840 2.774 2.905 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS HA 1 4 VAL QG 0.000 . 6.640 3.018 2.897 3.261 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS HA 1 18 CYS HA 0.000 . 3.420 3.312 3.198 3.416 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS HB2 1 4 VAL H 0.000 . 3.300 2.068 1.999 2.104 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS HB2 1 4 VAL QG 0.000 . 7.080 4.046 3.907 4.266 . 0 0 "[ . 1 . 2]" 1
22 1 3 CYS HB2 1 18 CYS H 0.000 . 4.350 2.759 2.616 3.120 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS HB2 1 18 CYS HA 0.000 . 3.240 1.426 1.351 1.544 . 0 0 "[ . 1 . 2]" 1
24 1 3 CYS HB2 1 18 CYS HB3 0.000 . 5.500 2.588 2.509 2.671 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS HB2 1 19 GLU H 0.000 . 4.600 4.442 4.315 4.582 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS HB3 1 4 VAL H 0.000 . 3.450 3.393 3.313 3.457 0.007 12 0 "[ . 1 . 2]" 1
27 1 3 CYS HB3 1 4 VAL QG 0.000 . 7.980 4.801 4.727 4.995 . 0 0 "[ . 1 . 2]" 1
28 1 3 CYS HB3 1 18 CYS H 0.000 . 4.850 4.449 4.306 4.817 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS HB3 1 18 CYS HA 0.000 . 3.580 2.703 2.567 2.908 . 0 0 "[ . 1 . 2]" 1
30 1 3 CYS HB3 1 18 CYS HB3 0.000 . 3.020 3.144 3.124 3.162 0.142 11 0 "[ . 1 . 2]" 1
31 1 4 VAL H 1 4 VAL HB 0.000 . 3.080 3.059 2.962 3.093 0.013 15 0 "[ . 1 . 2]" 1
32 1 4 VAL H 1 4 VAL QG 0.000 . 4.230 2.848 2.733 3.030 . 0 0 "[ . 1 . 2]" 1
33 1 4 VAL H 1 5 LYS H 0.000 . 5.000 4.086 3.998 4.169 . 0 0 "[ . 1 . 2]" 1
34 1 4 VAL H 1 17 CYS HB2 0.000 . 5.500 4.936 4.807 5.140 . 0 0 "[ . 1 . 2]" 1
35 1 4 VAL H 1 17 CYS HB3 0.000 . 5.500 3.893 3.693 4.577 . 0 0 "[ . 1 . 2]" 1
36 1 4 VAL H 1 18 CYS H 0.000 . 3.420 1.825 1.603 2.330 . 0 0 "[ . 1 . 2]" 1
37 1 4 VAL HA 1 5 LYS H 0.000 . 2.430 2.143 2.108 2.184 . 0 0 "[ . 1 . 2]" 1
38 1 4 VAL HA 1 15 LEU QD 0.000 . 8.070 5.795 5.417 5.940 . 0 0 "[ . 1 . 2]" 1
39 1 4 VAL HA 1 17 CYS HA 0.000 . 4.140 3.870 3.778 3.985 . 0 0 "[ . 1 . 2]" 1
40 1 4 VAL HA 1 18 CYS H 0.000 . 5.500 4.150 3.985 4.594 . 0 0 "[ . 1 . 2]" 1
41 1 4 VAL HB 1 5 LYS H 0.000 . 4.000 4.058 4.038 4.098 0.098 10 0 "[ . 1 . 2]" 1
42 1 4 VAL HB 1 17 CYS HA 0.000 . 3.050 1.585 1.441 1.736 . 0 0 "[ . 1 . 2]" 1
43 1 4 VAL HB 1 18 CYS H 0.000 . 4.230 3.145 2.925 3.348 . 0 0 "[ . 1 . 2]" 1
44 1 4 VAL QG 1 5 LYS H 0.000 . 4.190 2.540 2.361 2.654 . 0 0 "[ . 1 . 2]" 1
45 1 4 VAL QG 1 5 LYS HA 0.000 . 7.700 4.050 3.892 4.135 . 0 0 "[ . 1 . 2]" 1
46 1 4 VAL QG 1 8 GLU HA 0.000 . 7.510 4.414 4.230 4.646 . 0 0 "[ . 1 . 2]" 1
47 1 4 VAL QG 1 8 GLU QB 0.000 . 5.290 2.136 1.877 2.344 . 0 0 "[ . 1 . 2]" 1
48 1 4 VAL QG 1 8 GLU QG 0.000 . 7.420 3.648 3.185 3.948 . 0 0 "[ . 1 . 2]" 1
49 1 4 VAL QG 1 9 LEU H 0.000 . 7.390 4.371 4.048 4.607 . 0 0 "[ . 1 . 2]" 1
50 1 4 VAL QG 1 9 LEU QD 0.000 . 9.620 4.733 4.605 4.855 . 0 0 "[ . 1 . 2]" 1
51 1 4 VAL QG 1 10 CYS QB 0.000 . 4.900 2.471 2.088 2.738 . 0 0 "[ . 1 . 2]" 1
52 1 4 VAL QG 1 15 LEU QD 0.000 . 10.150 3.094 2.782 3.269 . 0 0 "[ . 1 . 2]" 1
53 1 4 VAL QG 1 17 CYS HA 0.000 . 4.500 2.205 2.004 2.476 . 0 0 "[ . 1 . 2]" 1
54 1 4 VAL QG 1 17 CYS QB 0.000 . 8.460 3.431 3.349 3.556 . 0 0 "[ . 1 . 2]" 1
55 1 4 VAL QG 1 18 CYS H 0.000 . 5.930 3.596 3.403 3.871 . 0 0 "[ . 1 . 2]" 1
56 1 4 VAL QG 1 33 CYS H 0.000 . 7.570 4.066 3.877 4.280 . 0 0 "[ . 1 . 2]" 1
57 1 4 VAL QG 1 33 CYS QB 0.000 . 7.020 3.080 2.784 3.281 . 0 0 "[ . 1 . 2]" 1
58 1 4 VAL MG1 1 5 LYS H 0.000 . 4.920 2.564 2.375 2.684 . 0 0 "[ . 1 . 2]" 1
59 1 4 VAL MG1 1 8 GLU HB2 0.000 . 7.410 2.257 1.907 2.544 . 0 0 "[ . 1 . 2]" 1
60 1 4 VAL MG1 1 8 GLU HB3 0.000 . 7.410 2.739 2.411 3.186 . 0 0 "[ . 1 . 2]" 1
61 1 4 VAL MG1 1 8 GLU HG2 0.000 . 9.610 4.542 4.232 4.777 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL MG1 1 8 GLU HG3 0.000 . 9.610 3.904 3.324 4.287 . 0 0 "[ . 1 . 2]" 1
63 1 4 VAL MG1 1 10 CYS HA 0.000 . 5.570 4.035 3.584 4.338 . 0 0 "[ . 1 . 2]" 1
64 1 4 VAL MG1 1 10 CYS HB2 0.000 . 5.780 2.563 2.137 2.859 . 0 0 "[ . 1 . 2]" 1
65 1 4 VAL MG1 1 10 CYS HB3 0.000 . 5.780 4.000 3.616 4.283 . 0 0 "[ . 1 . 2]" 1
66 1 4 VAL MG1 1 17 CYS HA 0.000 . 4.850 3.379 3.273 3.473 . 0 0 "[ . 1 . 2]" 1
67 1 4 VAL MG1 1 18 CYS H 0.000 . 6.530 4.336 4.233 4.423 . 0 0 "[ . 1 . 2]" 1
68 1 4 VAL MG1 1 33 CYS HB2 0.000 . 8.300 3.262 2.914 3.488 . 0 0 "[ . 1 . 2]" 1
69 1 4 VAL MG1 1 33 CYS HB3 0.000 . 8.300 3.922 3.646 4.128 . 0 0 "[ . 1 . 2]" 1
70 1 4 VAL MG2 1 5 LYS H 0.000 . 4.920 4.140 3.961 4.175 . 0 0 "[ . 1 . 2]" 1
71 1 4 VAL MG2 1 8 GLU HB2 0.000 . 7.410 4.877 4.528 5.147 . 0 0 "[ . 1 . 2]" 1
72 1 4 VAL MG2 1 8 GLU HB3 0.000 . 7.410 4.911 4.491 5.396 . 0 0 "[ . 1 . 2]" 1
73 1 4 VAL MG2 1 8 GLU HG2 0.000 . 9.610 6.880 6.464 7.124 . 0 0 "[ . 1 . 2]" 1
74 1 4 VAL MG2 1 8 GLU HG3 0.000 . 9.610 6.293 5.616 6.805 . 0 0 "[ . 1 . 2]" 1
75 1 4 VAL MG2 1 10 CYS HA 0.000 . 5.570 4.286 3.797 4.484 . 0 0 "[ . 1 . 2]" 1
76 1 4 VAL MG2 1 10 CYS HB2 0.000 . 5.780 3.593 3.138 3.906 . 0 0 "[ . 1 . 2]" 1
77 1 4 VAL MG2 1 10 CYS HB3 0.000 . 5.780 4.456 4.071 4.672 . 0 0 "[ . 1 . 2]" 1
78 1 4 VAL MG2 1 17 CYS HA 0.000 . 4.850 2.238 2.017 2.543 . 0 0 "[ . 1 . 2]" 1
79 1 4 VAL MG2 1 18 CYS H 0.000 . 6.530 3.849 3.581 4.367 . 0 0 "[ . 1 . 2]" 1
80 1 4 VAL MG2 1 33 CYS HB2 0.000 . 8.300 5.551 5.260 5.884 . 0 0 "[ . 1 . 2]" 1
81 1 4 VAL MG2 1 33 CYS HB3 0.000 . 8.300 5.638 5.376 6.091 . 0 0 "[ . 1 . 2]" 1
82 1 4 VAL O 1 18 CYS H 2.200 . 2.200 2.028 1.969 2.124 0.031 10 0 "[ . 1 . 2]" 1
83 1 4 VAL O 1 18 CYS N 3.200 2.900 3.200 2.991 2.915 3.101 . 0 0 "[ . 1 . 2]" 1
84 1 5 LYS H 1 5 LYS HA 0.000 . 2.800 2.862 2.839 2.880 0.080 14 0 "[ . 1 . 2]" 1
85 1 5 LYS H 1 5 LYS HB2 0.000 . 3.110 2.121 2.085 2.161 . 0 0 "[ . 1 . 2]" 1
86 1 5 LYS H 1 5 LYS QB 0.000 . 2.760 2.090 2.058 2.124 . 0 0 "[ . 1 . 2]" 1
87 1 5 LYS H 1 5 LYS HB3 0.000 . 3.110 3.146 3.114 3.174 0.064 8 0 "[ . 1 . 2]" 1
88 1 5 LYS H 1 5 LYS QE 0.000 . 6.390 4.769 2.573 5.555 . 0 0 "[ . 1 . 2]" 1
89 1 5 LYS H 1 5 LYS QG 0.000 . 5.030 3.770 3.541 4.000 . 0 0 "[ . 1 . 2]" 1
90 1 5 LYS H 1 6 LYS H 0.000 . 5.000 4.602 4.591 4.614 . 0 0 "[ . 1 . 2]" 1
91 1 5 LYS H 1 21 LEU QD 0.000 . 7.140 4.523 4.285 4.713 . 0 0 "[ . 1 . 2]" 1
92 1 5 LYS HA 1 5 LYS HB2 0.000 . 2.800 2.803 2.780 2.822 0.022 8 0 "[ . 1 . 2]" 1
93 1 5 LYS HA 1 5 LYS HB3 0.000 . 2.800 2.871 2.856 2.891 0.091 19 0 "[ . 1 . 2]" 1
94 1 5 LYS HA 1 6 LYS H 0.000 . 2.560 2.283 2.219 2.355 . 0 0 "[ . 1 . 2]" 1
95 1 5 LYS HA 1 18 CYS H 0.000 . 5.310 4.170 3.822 4.354 . 0 0 "[ . 1 . 2]" 1
96 1 5 LYS HA 1 18 CYS HB2 0.000 . 5.220 4.425 4.267 4.525 . 0 0 "[ . 1 . 2]" 1
97 1 5 LYS HA 1 18 CYS HB3 0.000 . 5.250 5.308 5.285 5.349 0.099 14 0 "[ . 1 . 2]" 1
98 1 5 LYS HA 1 21 LEU QD 0.000 . 5.990 2.674 2.258 2.942 . 0 0 "[ . 1 . 2]" 1
99 1 5 LYS QB 1 7 ASP H 0.000 . 6.390 5.504 5.414 5.540 . 0 0 "[ . 1 . 2]" 1
100 1 5 LYS O 1 8 GLU H 2.200 . 2.200 2.198 2.107 2.229 0.029 16 0 "[ . 1 . 2]" 1
101 1 5 LYS O 1 8 GLU N 3.200 2.900 3.200 3.065 2.987 3.112 . 0 0 "[ . 1 . 2]" 1
102 1 6 LYS H 1 6 LYS HG2 0.000 . 5.250 4.419 4.185 4.549 . 0 0 "[ . 1 . 2]" 1
103 1 6 LYS H 1 6 LYS QG 0.000 . 4.430 3.901 3.650 4.046 . 0 0 "[ . 1 . 2]" 1
104 1 6 LYS H 1 6 LYS HG3 0.000 . 5.250 4.361 3.909 4.603 . 0 0 "[ . 1 . 2]" 1
105 1 6 LYS H 1 7 ASP H 0.000 . 5.000 4.614 4.592 4.626 . 0 0 "[ . 1 . 2]" 1
106 1 6 LYS H 1 21 LEU MD1 0.000 . 5.940 1.931 1.486 2.294 . 0 0 "[ . 1 . 2]" 1
107 1 6 LYS H 1 21 LEU QD 0.000 . 4.960 1.923 1.483 2.276 . 0 0 "[ . 1 . 2]" 1
108 1 6 LYS H 1 21 LEU MD2 0.000 . 5.940 3.552 3.057 3.797 . 0 0 "[ . 1 . 2]" 1
109 1 6 LYS HA 1 6 LYS QD 0.000 . 4.000 3.099 2.350 3.591 . 0 0 "[ . 1 . 2]" 1
110 1 6 LYS HA 1 6 LYS QG 0.000 . 3.670 2.722 2.265 3.289 . 0 0 "[ . 1 . 2]" 1
111 1 6 LYS HA 1 7 ASP H 0.000 . 2.520 2.218 2.180 2.242 . 0 0 "[ . 1 . 2]" 1
112 1 6 LYS HA 1 8 GLU H 0.000 . 3.550 3.186 3.097 3.317 . 0 0 "[ . 1 . 2]" 1
113 1 6 LYS HA 1 21 LEU QB 0.000 . 6.390 3.615 3.426 3.816 . 0 0 "[ . 1 . 2]" 1
114 1 6 LYS HA 1 21 LEU MD1 0.000 . 5.100 2.260 1.618 2.756 . 0 0 "[ . 1 . 2]" 1
115 1 6 LYS HA 1 21 LEU QD 0.000 . 4.430 2.150 1.611 2.536 . 0 0 "[ . 1 . 2]" 1
116 1 6 LYS HA 1 21 LEU MD2 0.000 . 5.100 2.919 2.492 3.298 . 0 0 "[ . 1 . 2]" 1
117 1 6 LYS HA 1 33 CYS H 0.000 . 3.980 3.962 3.800 4.027 0.047 14 0 "[ . 1 . 2]" 1
118 1 6 LYS HA 1 33 CYS HA 0.000 . 5.220 4.542 4.382 4.682 . 0 0 "[ . 1 . 2]" 1
119 1 6 LYS HA 1 33 CYS HB2 0.000 . 3.920 2.120 1.900 2.388 . 0 0 "[ . 1 . 2]" 1
120 1 6 LYS HA 1 33 CYS QB 0.000 . 3.600 1.967 1.776 2.199 . 0 0 "[ . 1 . 2]" 1
121 1 6 LYS HA 1 33 CYS HB3 0.000 . 3.920 2.338 2.121 2.655 . 0 0 "[ . 1 . 2]" 1
122 1 6 LYS QB 1 21 LEU QD 0.000 . 7.880 1.369 1.166 1.779 . 0 0 "[ . 1 . 2]" 1
123 1 6 LYS QB 1 33 CYS QB 0.000 . 6.380 3.451 3.120 3.628 . 0 0 "[ . 1 . 2]" 1
124 1 6 LYS QD 1 7 ASP H 0.000 . 4.840 2.743 1.511 4.030 . 0 0 "[ . 1 . 2]" 1
125 1 6 LYS QD 1 21 LEU QD 0.000 . 7.130 2.526 1.417 3.720 . 0 0 "[ . 1 . 2]" 1
126 1 6 LYS QE 1 21 LEU QD 0.000 . 8.960 3.409 2.481 4.044 . 0 0 "[ . 1 . 2]" 1
127 1 6 LYS QG 1 7 ASP H 0.000 . 4.160 2.475 2.076 3.158 . 0 0 "[ . 1 . 2]" 1
128 1 6 LYS QG 1 7 ASP QB 0.000 . 5.290 3.128 2.172 3.999 . 0 0 "[ . 1 . 2]" 1
129 1 6 LYS QG 1 21 LEU QD 0.000 . 6.950 2.601 1.711 3.148 . 0 0 "[ . 1 . 2]" 1
130 1 7 ASP H 1 7 ASP HA 0.000 . 2.460 2.323 2.299 2.349 . 0 0 "[ . 1 . 2]" 1
131 1 7 ASP H 1 8 GLU H 0.000 . 2.990 2.594 2.469 2.696 . 0 0 "[ . 1 . 2]" 1
132 1 7 ASP H 1 21 LEU MD1 0.000 . 6.370 4.204 3.608 4.617 . 0 0 "[ . 1 . 2]" 1
133 1 7 ASP H 1 21 LEU QD 0.000 . 5.420 3.731 3.383 4.015 . 0 0 "[ . 1 . 2]" 1
134 1 7 ASP H 1 21 LEU MD2 0.000 . 6.370 4.213 3.940 4.562 . 0 0 "[ . 1 . 2]" 1
135 1 7 ASP H 1 32 LYS QB 0.000 . 5.960 3.554 3.271 3.701 . 0 0 "[ . 1 . 2]" 1
136 1 7 ASP H 1 33 CYS H 0.000 . 3.730 3.110 2.823 3.311 . 0 0 "[ . 1 . 2]" 1
137 1 7 ASP H 1 33 CYS HA 0.000 . 5.280 4.908 4.597 5.130 . 0 0 "[ . 1 . 2]" 1
138 1 7 ASP H 1 33 CYS QB 0.000 . 5.110 2.632 2.234 2.985 . 0 0 "[ . 1 . 2]" 1
139 1 7 ASP H 1 34 ILE MG 0.000 . 6.530 5.161 4.868 5.292 . 0 0 "[ . 1 . 2]" 1
140 1 7 ASP HA 1 7 ASP QB 0.000 . 2.660 2.405 2.291 2.527 . 0 0 "[ . 1 . 2]" 1
141 1 7 ASP HA 1 8 GLU H 0.000 . 3.520 3.368 3.266 3.405 . 0 0 "[ . 1 . 2]" 1
142 1 7 ASP HA 1 9 LEU QD 0.000 . 7.260 4.843 4.729 4.932 . 0 0 "[ . 1 . 2]" 1
143 1 7 ASP HA 1 26 VAL MG1 0.000 . 6.530 4.187 3.806 4.920 . 0 0 "[ . 1 . 2]" 1
144 1 7 ASP HA 1 26 VAL QG 0.000 . 6.150 3.886 3.575 4.537 . 0 0 "[ . 1 . 2]" 1
145 1 7 ASP HA 1 26 VAL MG2 0.000 . 6.530 4.641 4.019 5.318 . 0 0 "[ . 1 . 2]" 1
146 1 7 ASP HA 1 32 LYS QB 0.000 . 6.390 3.596 3.054 3.885 . 0 0 "[ . 1 . 2]" 1
147 1 7 ASP HA 1 32 LYS QD 0.000 . 5.180 3.513 2.879 4.691 . 0 0 "[ . 1 . 2]" 1
148 1 7 ASP HA 1 32 LYS QE 0.000 . 6.390 3.611 2.055 5.172 . 0 0 "[ . 1 . 2]" 1
149 1 7 ASP HA 1 32 LYS QG 0.000 . 6.390 4.842 3.493 5.258 . 0 0 "[ . 1 . 2]" 1
150 1 7 ASP HA 1 33 CYS H 0.000 . 4.510 4.203 3.787 4.486 . 0 0 "[ . 1 . 2]" 1
151 1 7 ASP HA 1 33 CYS QB 0.000 . 5.830 4.534 4.166 4.849 . 0 0 "[ . 1 . 2]" 1
152 1 7 ASP QB 1 8 GLU H 0.000 . 4.280 3.163 3.067 3.385 . 0 0 "[ . 1 . 2]" 1
153 1 8 GLU H 1 8 GLU HG2 0.000 . 3.700 3.520 3.049 3.704 0.004 10 0 "[ . 1 . 2]" 1
154 1 8 GLU H 1 8 GLU QG 0.000 . 3.500 2.804 2.289 3.167 . 0 0 "[ . 1 . 2]" 1
155 1 8 GLU H 1 8 GLU HG3 0.000 . 3.700 3.052 2.322 3.650 . 0 0 "[ . 1 . 2]" 1
156 1 8 GLU H 1 33 CYS H 0.000 . 3.640 3.449 2.955 3.652 0.012 5 0 "[ . 1 . 2]" 1
157 1 8 GLU H 1 33 CYS QB 0.000 . 5.270 2.792 2.526 2.939 . 0 0 "[ . 1 . 2]" 1
158 1 8 GLU HA 1 8 GLU HG2 0.000 . 4.140 2.351 2.132 2.620 . 0 0 "[ . 1 . 2]" 1
159 1 8 GLU HA 1 8 GLU QG 0.000 . 3.810 2.294 2.111 2.502 . 0 0 "[ . 1 . 2]" 1
160 1 8 GLU HA 1 8 GLU HG3 0.000 . 4.140 3.320 3.068 3.667 . 0 0 "[ . 1 . 2]" 1
161 1 8 GLU HA 1 9 LEU H 0.000 . 3.050 2.253 2.198 2.315 . 0 0 "[ . 1 . 2]" 1
162 1 8 GLU HA 1 32 LYS QG 0.000 . 6.390 4.423 2.776 5.494 . 0 0 "[ . 1 . 2]" 1
163 1 8 GLU HA 1 33 CYS QB 0.000 . 6.110 5.104 5.057 5.127 . 0 0 "[ . 1 . 2]" 1
164 1 8 GLU QB 1 9 LEU H 0.000 . 3.880 2.847 2.677 3.005 . 0 0 "[ . 1 . 2]" 1
165 1 8 GLU QG 1 9 LEU H 0.000 . 4.880 3.930 3.695 4.136 . 0 0 "[ . 1 . 2]" 1
166 1 8 GLU HG2 1 9 LEU H 0.000 . 5.070 4.104 3.813 4.385 . 0 0 "[ . 1 . 2]" 1
167 1 8 GLU HG3 1 9 LEU H 0.000 . 5.070 5.050 4.955 5.091 0.021 7 0 "[ . 1 . 2]" 1
168 1 8 GLU O 1 33 CYS H 2.200 . 2.200 2.250 2.228 2.290 0.090 9 0 "[ . 1 . 2]" 1
169 1 8 GLU O 1 33 CYS N 3.200 2.900 3.200 2.832 2.787 2.879 0.113 9 0 "[ . 1 . 2]" 1
170 1 9 LEU H 1 9 LEU HB2 0.000 . 3.500 2.333 2.282 2.386 . 0 0 "[ . 1 . 2]" 1
171 1 9 LEU H 1 9 LEU QB 0.000 . 2.810 2.303 2.255 2.350 . 0 0 "[ . 1 . 2]" 1
172 1 9 LEU H 1 9 LEU HB3 0.000 . 3.500 3.538 3.529 3.552 0.052 3 0 "[ . 1 . 2]" 1
173 1 9 LEU H 1 9 LEU MD1 0.000 . 5.850 4.040 3.904 4.169 . 0 0 "[ . 1 . 2]" 1
174 1 9 LEU H 1 9 LEU QD 0.000 . 5.050 1.988 1.644 2.511 . 0 0 "[ . 1 . 2]" 1
175 1 9 LEU H 1 9 LEU MD2 0.000 . 5.850 1.994 1.646 2.532 . 0 0 "[ . 1 . 2]" 1
176 1 9 LEU H 1 9 LEU HG 0.000 . 3.210 3.199 2.865 3.248 0.038 12 0 "[ . 1 . 2]" 1
177 1 9 LEU HA 1 32 LYS HA 0.000 . 3.730 1.887 1.822 2.006 . 0 0 "[ . 1 . 2]" 1
178 1 9 LEU QB 1 10 CYS H 0.000 . 3.700 2.045 1.877 2.528 . 0 0 "[ . 1 . 2]" 1
179 1 9 LEU HB2 1 10 CYS H 0.000 . 4.010 3.417 3.258 3.773 . 0 0 "[ . 1 . 2]" 1
180 1 9 LEU HB3 1 10 CYS H 0.000 . 4.010 2.061 1.888 2.568 . 0 0 "[ . 1 . 2]" 1
181 1 9 LEU QD 1 10 CYS H 0.000 . 6.190 2.966 2.818 3.267 . 0 0 "[ . 1 . 2]" 1
182 1 9 LEU QD 1 15 LEU QD 0.000 . 10.640 5.267 4.960 5.485 . 0 0 "[ . 1 . 2]" 1
183 1 9 LEU QD 1 30 ASP HA 0.000 . 7.610 3.491 3.079 3.754 . 0 0 "[ . 1 . 2]" 1
184 1 9 LEU QD 1 31 HIS HA 0.000 . 6.550 4.367 4.173 4.606 . 0 0 "[ . 1 . 2]" 1
185 1 9 LEU QD 1 31 HIS HB3 0.000 . 8.070 4.289 3.960 4.536 . 0 0 "[ . 1 . 2]" 1
186 1 9 LEU QD 1 32 LYS HA 0.000 . 6.640 3.157 2.943 3.305 . 0 0 "[ . 1 . 2]" 1
187 1 9 LEU QD 1 32 LYS QG 0.000 . 7.600 1.479 1.171 1.789 . 0 0 "[ . 1 . 2]" 1
188 1 9 LEU MD1 1 10 CYS H 0.000 . 6.530 3.099 2.899 3.828 . 0 0 "[ . 1 . 2]" 1
189 1 9 LEU MD1 1 30 ASP HB2 0.000 . 7.250 4.885 4.294 5.630 . 0 0 "[ . 1 . 2]" 1
190 1 9 LEU MD1 1 30 ASP HB3 0.000 . 7.250 4.463 4.066 5.441 . 0 0 "[ . 1 . 2]" 1
191 1 9 LEU MD1 1 32 LYS QE 0.000 . 7.420 4.185 2.877 5.278 . 0 0 "[ . 1 . 2]" 1
192 1 9 LEU MD2 1 10 CYS H 0.000 . 6.530 3.878 3.543 3.999 . 0 0 "[ . 1 . 2]" 1
193 1 9 LEU MD2 1 30 ASP HB2 0.000 . 7.250 5.369 4.796 5.721 . 0 0 "[ . 1 . 2]" 1
194 1 9 LEU MD2 1 30 ASP HB3 0.000 . 7.250 4.628 3.917 5.708 . 0 0 "[ . 1 . 2]" 1
195 1 9 LEU MD2 1 32 LYS QE 0.000 . 7.420 2.983 1.908 3.535 . 0 0 "[ . 1 . 2]" 1
196 1 9 LEU HG 1 10 CYS H 0.000 . 5.440 4.677 4.538 5.102 . 0 0 "[ . 1 . 2]" 1
197 1 9 LEU HG 1 32 LYS HA 0.000 . 5.500 5.537 5.508 5.558 0.058 11 0 "[ . 1 . 2]" 1
198 1 10 CYS H 1 10 CYS HB2 0.000 . 3.760 3.356 3.243 3.435 . 0 0 "[ . 1 . 2]" 1
199 1 10 CYS H 1 10 CYS QB 0.000 . 3.600 3.022 2.929 3.090 . 0 0 "[ . 1 . 2]" 1
200 1 10 CYS H 1 10 CYS HB3 0.000 . 3.760 3.437 3.291 3.564 . 0 0 "[ . 1 . 2]" 1
201 1 10 CYS H 1 11 ILE MG 0.000 . 6.530 5.397 5.335 5.433 . 0 0 "[ . 1 . 2]" 1
202 1 10 CYS H 1 31 HIS HB3 0.000 . 5.500 3.482 2.940 3.763 . 0 0 "[ . 1 . 2]" 1
203 1 10 CYS H 1 31 HIS O 2.200 . 2.200 2.191 2.117 2.216 0.016 9 0 "[ . 1 . 2]" 1
204 1 10 CYS H 1 32 LYS HA 0.000 . 3.390 2.804 2.519 3.086 . 0 0 "[ . 1 . 2]" 1
205 1 10 CYS H 1 32 LYS QB 0.000 . 6.390 4.567 4.146 4.913 . 0 0 "[ . 1 . 2]" 1
206 1 10 CYS H 1 32 LYS QG 0.000 . 6.390 3.747 3.520 4.119 . 0 0 "[ . 1 . 2]" 1
207 1 10 CYS HA 1 10 CYS HB2 0.000 . 2.990 2.641 2.578 2.711 . 0 0 "[ . 1 . 2]" 1
208 1 10 CYS HA 1 10 CYS HB3 0.000 . 2.990 2.987 2.956 3.007 0.017 5 0 "[ . 1 . 2]" 1
209 1 10 CYS HA 1 11 ILE H 0.000 . 2.990 2.653 2.529 2.742 . 0 0 "[ . 1 . 2]" 1
210 1 10 CYS HA 1 15 LEU HB2 0.000 . 5.500 4.154 3.856 4.639 . 0 0 "[ . 1 . 2]" 1
211 1 10 CYS HA 1 15 LEU QB 0.000 . 4.950 4.034 3.762 4.398 . 0 0 "[ . 1 . 2]" 1
212 1 10 CYS HA 1 15 LEU HB3 0.000 . 5.500 5.487 5.238 5.522 0.022 20 0 "[ . 1 . 2]" 1
213 1 10 CYS HA 1 15 LEU MD1 0.000 . 6.530 2.375 1.777 3.689 . 0 0 "[ . 1 . 2]" 1
214 1 10 CYS HA 1 15 LEU QD 0.000 . 5.680 2.225 1.679 2.501 . 0 0 "[ . 1 . 2]" 1
215 1 10 CYS HA 1 15 LEU MD2 0.000 . 6.530 3.586 1.682 5.016 . 0 0 "[ . 1 . 2]" 1
216 1 10 CYS HA 1 15 LEU HG 0.000 . 5.500 4.882 3.201 5.450 . 0 0 "[ . 1 . 2]" 1
217 1 10 CYS QB 1 11 ILE HA 0.000 . 4.740 4.014 3.929 4.083 . 0 0 "[ . 1 . 2]" 1
218 1 10 CYS QB 1 33 CYS H 0.000 . 6.390 4.201 3.823 4.494 . 0 0 "[ . 1 . 2]" 1
219 1 10 CYS HB2 1 11 ILE H 0.000 . 5.000 3.695 3.555 3.875 . 0 0 "[ . 1 . 2]" 1
220 1 10 CYS HB3 1 11 ILE H 0.000 . 5.000 2.733 2.473 2.943 . 0 0 "[ . 1 . 2]" 1
221 1 10 CYS N 1 31 HIS O 3.200 2.900 3.200 2.921 2.872 3.079 0.028 9 0 "[ . 1 . 2]" 1
222 1 11 ILE H 1 11 ILE HB 0.000 . 3.020 3.108 3.075 3.127 0.107 16 0 "[ . 1 . 2]" 1
223 1 11 ILE H 1 11 ILE QG 0.000 . 4.500 2.446 2.237 2.628 . 0 0 "[ . 1 . 2]" 1
224 1 11 ILE H 1 15 LEU QD 0.000 . 6.520 1.868 1.258 3.155 . 0 0 "[ . 1 . 2]" 1
225 1 11 ILE H 1 15 LEU HG 0.000 . 4.450 4.147 3.079 4.471 0.021 13 0 "[ . 1 . 2]" 1
226 1 11 ILE HA 1 12 PRO HA 0.000 . 4.570 4.481 4.453 4.526 . 0 0 "[ . 1 . 2]" 1
227 1 11 ILE HA 1 12 PRO HD2 0.000 . 3.140 2.189 1.864 2.603 . 0 0 "[ . 1 . 2]" 1
228 1 11 ILE HA 1 12 PRO HD3 0.000 . 3.140 2.193 1.815 2.571 . 0 0 "[ . 1 . 2]" 1
229 1 11 ILE HA 1 14 TYR QD 0.000 . 7.650 5.231 3.402 6.240 . 0 0 "[ . 1 . 2]" 1
230 1 11 ILE HA 1 31 HIS HB2 0.000 . 5.500 4.124 3.769 4.467 . 0 0 "[ . 1 . 2]" 1
231 1 11 ILE HA 1 31 HIS HB3 0.000 . 5.500 3.181 2.884 3.468 . 0 0 "[ . 1 . 2]" 1
232 1 11 ILE HA 1 31 HIS HD2 0.000 . 5.500 3.462 3.038 3.980 . 0 0 "[ . 1 . 2]" 1
233 1 11 ILE HB 1 14 TYR QD 0.000 . 7.090 3.033 1.754 3.738 . 0 0 "[ . 1 . 2]" 1
234 1 11 ILE HB 1 14 TYR QE 0.000 . 6.810 5.225 3.673 5.898 . 0 0 "[ . 1 . 2]" 1
235 1 11 ILE HB 1 15 LEU H 0.000 . 3.080 2.892 2.204 3.088 0.008 3 0 "[ . 1 . 2]" 1
236 1 11 ILE QG 1 14 TYR QE 0.000 . 8.540 5.321 4.193 6.324 . 0 0 "[ . 1 . 2]" 1
237 1 11 ILE HG12 1 14 TYR QD 0.000 . 7.650 4.511 3.301 5.603 . 0 0 "[ . 1 . 2]" 1
238 1 11 ILE HG13 1 14 TYR QD 0.000 . 7.650 4.218 2.457 5.161 . 0 0 "[ . 1 . 2]" 1
239 1 11 ILE MG 1 13 TYR QE 0.000 . 8.210 4.557 1.891 6.000 . 0 0 "[ . 1 . 2]" 1
240 1 11 ILE MG 1 14 TYR QE 0.000 . 7.710 3.854 1.734 4.867 . 0 0 "[ . 1 . 2]" 1
241 1 11 ILE MG 1 31 HIS HD2 0.000 . 6.530 4.252 3.717 4.809 . 0 0 "[ . 1 . 2]" 1
242 1 12 PRO HA 1 13 TYR H 0.000 . 3.050 2.935 2.153 3.140 0.090 11 0 "[ . 1 . 2]" 1
243 1 12 PRO HA 1 14 TYR H 0.000 . 4.110 3.965 3.105 4.134 0.024 17 0 "[ . 1 . 2]" 1
244 1 12 PRO HB2 1 13 TYR QD 0.000 . 7.650 3.440 2.304 4.018 . 0 0 "[ . 1 . 2]" 1
245 1 12 PRO HB2 1 13 TYR QE 0.000 . 7.650 3.202 2.225 4.437 . 0 0 "[ . 1 . 2]" 1
246 1 12 PRO HB2 1 31 HIS HD2 0.000 . 4.380 4.315 4.047 4.396 0.016 10 0 "[ . 1 . 2]" 1
247 1 12 PRO HB3 1 13 TYR QD 0.000 . 7.650 4.683 3.755 5.384 . 0 0 "[ . 1 . 2]" 1
248 1 12 PRO HB3 1 13 TYR QE 0.000 . 7.650 4.475 3.547 5.681 . 0 0 "[ . 1 . 2]" 1
249 1 12 PRO HB3 1 31 HIS HD2 0.000 . 5.500 3.840 2.863 4.604 . 0 0 "[ . 1 . 2]" 1
250 1 12 PRO QD 1 31 HIS HD2 0.000 . 4.880 1.594 1.195 2.205 . 0 0 "[ . 1 . 2]" 1
251 1 12 PRO HD2 1 31 HIS HD2 0.000 . 5.500 2.530 2.180 3.206 . 0 0 "[ . 1 . 2]" 1
252 1 12 PRO HD3 1 31 HIS HD2 0.000 . 5.500 1.616 1.197 2.247 . 0 0 "[ . 1 . 2]" 1
253 1 12 PRO QG 1 13 TYR QE 0.000 . 8.540 3.166 1.591 5.573 . 0 0 "[ . 1 . 2]" 1
254 1 12 PRO QG 1 31 HIS HD2 0.000 . 6.400 1.969 1.648 2.311 . 0 0 "[ . 1 . 2]" 1
255 1 13 TYR HA 1 14 TYR QD 0.000 . 6.280 5.352 4.712 5.737 . 0 0 "[ . 1 . 2]" 1
256 1 13 TYR HA 1 14 TYR QE 0.000 . 7.650 6.820 5.992 7.079 . 0 0 "[ . 1 . 2]" 1
257 1 13 TYR QB 1 14 TYR QB 0.000 . 5.720 4.119 3.855 4.439 . 0 0 "[ . 1 . 2]" 1
258 1 13 TYR QB 1 14 TYR QD 0.000 . 7.850 3.709 2.943 4.547 . 0 0 "[ . 1 . 2]" 1
259 1 13 TYR QB 1 14 TYR QE 0.000 . 7.050 4.734 3.563 5.346 . 0 0 "[ . 1 . 2]" 1
260 1 13 TYR HB2 1 14 TYR QE 0.000 . 7.280 5.063 3.666 6.062 . 0 0 "[ . 1 . 2]" 1
261 1 13 TYR HB3 1 14 TYR QE 0.000 . 7.280 5.815 4.654 6.758 . 0 0 "[ . 1 . 2]" 1
262 1 13 TYR QD 1 15 LEU QD 0.000 . 10.220 6.143 5.573 6.604 . 0 0 "[ . 1 . 2]" 1
263 1 14 TYR H 1 14 TYR HB2 0.000 . 3.670 2.716 2.386 2.935 . 0 0 "[ . 1 . 2]" 1
264 1 14 TYR H 1 14 TYR QB 0.000 . 3.380 2.636 2.349 2.814 . 0 0 "[ . 1 . 2]" 1
265 1 14 TYR H 1 14 TYR HB3 0.000 . 3.670 3.581 3.509 3.691 0.021 9 0 "[ . 1 . 2]" 1
266 1 14 TYR H 1 14 TYR QE 0.000 . 7.060 5.981 4.169 6.289 . 0 0 "[ . 1 . 2]" 1
267 1 14 TYR H 1 15 LEU H 0.000 . 3.270 2.307 1.717 3.273 0.003 9 0 "[ . 1 . 2]" 1
268 1 14 TYR QB 1 15 LEU H 0.000 . 3.560 2.374 1.462 2.888 . 0 0 "[ . 1 . 2]" 1
269 1 14 TYR QB 1 15 LEU QD 0.000 . 6.550 2.079 1.613 2.665 . 0 0 "[ . 1 . 2]" 1
270 1 14 TYR HB2 1 15 LEU H 0.000 . 3.950 2.739 1.469 3.226 . 0 0 "[ . 1 . 2]" 1
271 1 14 TYR HB2 1 15 LEU MD1 0.000 . 8.500 2.808 1.948 4.495 . 0 0 "[ . 1 . 2]" 1
272 1 14 TYR HB2 1 15 LEU MD2 0.000 . 8.500 4.402 3.149 4.854 . 0 0 "[ . 1 . 2]" 1
273 1 14 TYR HB3 1 15 LEU H 0.000 . 3.950 2.683 1.910 3.265 . 0 0 "[ . 1 . 2]" 1
274 1 14 TYR HB3 1 15 LEU MD1 0.000 . 8.500 2.473 1.725 3.749 . 0 0 "[ . 1 . 2]" 1
275 1 14 TYR HB3 1 15 LEU MD2 0.000 . 8.500 3.359 1.856 4.632 . 0 0 "[ . 1 . 2]" 1
276 1 14 TYR QD 1 15 LEU QD 0.000 . 8.540 3.510 2.801 3.829 . 0 0 "[ . 1 . 2]" 1
277 1 14 TYR QE 1 15 LEU H 0.000 . 7.650 6.409 5.563 6.769 . 0 0 "[ . 1 . 2]" 1
278 1 14 TYR QE 1 15 LEU MD1 0.000 . 8.680 5.581 4.616 6.573 . 0 0 "[ . 1 . 2]" 1
279 1 14 TYR QE 1 15 LEU QD 0.000 . 7.570 4.970 4.517 5.152 . 0 0 "[ . 1 . 2]" 1
280 1 14 TYR QE 1 15 LEU MD2 0.000 . 8.680 5.826 4.777 6.413 . 0 0 "[ . 1 . 2]" 1
281 1 15 LEU H 1 15 LEU MD1 0.000 . 5.600 2.214 1.438 3.798 . 0 0 "[ . 1 . 2]" 1
282 1 15 LEU H 1 15 LEU MD2 0.000 . 5.600 3.763 2.001 4.278 . 0 0 "[ . 1 . 2]" 1
283 1 15 LEU H 1 15 LEU HG 0.000 . 3.950 2.598 1.872 3.534 . 0 0 "[ . 1 . 2]" 1
284 1 15 LEU HA 1 15 LEU MD1 0.000 . 4.700 3.658 3.119 4.042 . 0 0 "[ . 1 . 2]" 1
285 1 15 LEU HA 1 15 LEU MD2 0.000 . 4.700 3.600 2.367 3.962 . 0 0 "[ . 1 . 2]" 1
286 1 15 LEU HA 1 16 ASP H 0.000 . 2.960 2.554 2.401 2.754 . 0 0 "[ . 1 . 2]" 1
287 1 15 LEU QB 1 15 LEU HG 0.000 . 2.620 2.429 2.166 2.529 . 0 0 "[ . 1 . 2]" 1
288 1 15 LEU QD 1 16 ASP H 0.000 . 6.460 3.735 3.299 3.957 . 0 0 "[ . 1 . 2]" 1
289 1 16 ASP H 1 16 ASP QB 0.000 . 3.710 2.932 2.511 3.265 . 0 0 "[ . 1 . 2]" 1
290 1 16 ASP H 1 17 CYS H 0.000 . 4.480 4.424 4.351 4.461 . 0 0 "[ . 1 . 2]" 1
291 1 17 CYS H 1 17 CYS HB2 0.000 . 3.500 2.460 2.323 2.568 . 0 0 "[ . 1 . 2]" 1
292 1 17 CYS H 1 17 CYS HB3 0.000 . 3.500 3.548 2.945 3.621 0.121 10 0 "[ . 1 . 2]" 1
293 1 17 CYS H 1 23 CYS QB 0.000 . 6.390 2.014 1.618 2.333 . 0 0 "[ . 1 . 2]" 1
294 1 17 CYS HA 1 18 CYS H 0.000 . 3.110 2.437 2.341 2.623 . 0 0 "[ . 1 . 2]" 1
295 1 17 CYS HA 1 33 CYS QB 0.000 . 5.730 4.741 4.506 4.939 . 0 0 "[ . 1 . 2]" 1
296 1 17 CYS QB 1 18 CYS H 0.000 . 3.400 2.403 2.244 2.607 . 0 0 "[ . 1 . 2]" 1
297 1 17 CYS QB 1 21 LEU H 0.000 . 5.270 4.179 3.699 4.572 . 0 0 "[ . 1 . 2]" 1
298 1 17 CYS QB 1 21 LEU HA 0.000 . 5.020 4.276 4.057 4.529 . 0 0 "[ . 1 . 2]" 1
299 1 17 CYS QB 1 21 LEU QB 0.000 . 3.770 2.081 1.900 2.247 . 0 0 "[ . 1 . 2]" 1
300 1 17 CYS QB 1 21 LEU QD 0.000 . 6.210 2.914 2.622 3.369 . 0 0 "[ . 1 . 2]" 1
301 1 17 CYS QB 1 22 GLU H 0.000 . 6.390 3.398 2.987 3.856 . 0 0 "[ . 1 . 2]" 1
302 1 17 CYS QB 1 33 CYS HA 0.000 . 6.390 3.831 3.556 4.114 . 0 0 "[ . 1 . 2]" 1
303 1 17 CYS QB 1 33 CYS QB 0.000 . 4.370 3.080 2.917 3.424 . 0 0 "[ . 1 . 2]" 1
304 1 17 CYS HB2 1 18 CYS H 0.000 . 3.640 3.592 3.357 3.705 0.065 8 0 "[ . 1 . 2]" 1
305 1 17 CYS HB2 1 21 LEU HB2 0.000 . 4.880 2.872 2.526 3.338 . 0 0 "[ . 1 . 2]" 1
306 1 17 CYS HB2 1 21 LEU HB3 0.000 . 4.880 3.628 3.367 3.911 . 0 0 "[ . 1 . 2]" 1
307 1 17 CYS HB2 1 21 LEU MD1 0.000 . 8.300 4.222 3.940 4.585 . 0 0 "[ . 1 . 2]" 1
308 1 17 CYS HB2 1 21 LEU MD2 0.000 . 8.300 5.233 4.994 5.515 . 0 0 "[ . 1 . 2]" 1
309 1 17 CYS HB2 1 33 CYS HB2 0.000 . 5.500 5.487 4.811 5.578 0.078 18 0 "[ . 1 . 2]" 1
310 1 17 CYS HB2 1 33 CYS HB3 0.000 . 5.500 4.162 3.784 4.254 . 0 0 "[ . 1 . 2]" 1
311 1 17 CYS HB3 1 18 CYS H 0.000 . 3.640 2.442 2.279 2.663 . 0 0 "[ . 1 . 2]" 1
312 1 17 CYS HB3 1 21 LEU HB2 0.000 . 4.880 2.194 2.006 2.393 . 0 0 "[ . 1 . 2]" 1
313 1 17 CYS HB3 1 21 LEU HB3 0.000 . 4.880 3.196 2.830 3.604 . 0 0 "[ . 1 . 2]" 1
314 1 17 CYS HB3 1 21 LEU MD1 0.000 . 8.300 3.032 2.693 3.650 . 0 0 "[ . 1 . 2]" 1
315 1 17 CYS HB3 1 21 LEU MD2 0.000 . 8.300 4.679 4.412 5.054 . 0 0 "[ . 1 . 2]" 1
316 1 17 CYS HB3 1 33 CYS HB2 0.000 . 5.500 4.546 4.321 5.521 0.021 8 0 "[ . 1 . 2]" 1
317 1 17 CYS HB3 1 33 CYS HB3 0.000 . 5.500 3.310 3.051 4.219 . 0 0 "[ . 1 . 2]" 1
318 1 18 CYS H 1 18 CYS HB2 0.000 . 3.500 2.954 2.878 2.998 . 0 0 "[ . 1 . 2]" 1
319 1 18 CYS H 1 18 CYS HB3 0.000 . 3.500 3.508 3.486 3.571 0.071 8 0 "[ . 1 . 2]" 1
320 1 18 CYS H 1 21 LEU QD 0.000 . 6.770 3.374 2.947 3.643 . 0 0 "[ . 1 . 2]" 1
321 1 18 CYS H 1 21 LEU HG 0.000 . 5.500 5.301 4.888 5.508 0.008 17 0 "[ . 1 . 2]" 1
322 1 18 CYS HA 1 18 CYS HB2 0.000 . 2.930 2.972 2.970 2.974 0.044 4 0 "[ . 1 . 2]" 1
323 1 18 CYS HA 1 18 CYS HB3 0.000 . 2.800 2.284 2.279 2.287 . 0 0 "[ . 1 . 2]" 1
324 1 18 CYS HA 1 19 GLU H 0.000 . 3.500 3.497 3.333 3.542 0.042 12 0 "[ . 1 . 2]" 1
325 1 18 CYS HA 1 21 LEU QD 0.000 . 8.070 5.181 4.986 5.497 . 0 0 "[ . 1 . 2]" 1
326 1 18 CYS HB2 1 19 GLU H 0.000 . 3.500 1.583 1.399 1.805 . 0 0 "[ . 1 . 2]" 1
327 1 18 CYS HB3 1 19 GLU H 0.000 . 3.500 3.062 2.537 3.322 . 0 0 "[ . 1 . 2]" 1
328 1 19 GLU H 1 19 GLU QB 0.000 . 3.370 3.056 2.896 3.129 . 0 0 "[ . 1 . 2]" 1
329 1 19 GLU HA 1 20 PRO HA 0.000 . 3.050 2.069 1.900 2.265 . 0 0 "[ . 1 . 2]" 1
330 1 19 GLU HA 1 20 PRO QG 0.000 . 5.960 4.642 4.598 4.693 . 0 0 "[ . 1 . 2]" 1
331 1 19 GLU HA 1 21 LEU H 0.000 . 3.500 2.363 1.399 2.937 . 0 0 "[ . 1 . 2]" 1
332 1 20 PRO QB 1 21 LEU QD 0.000 . 8.130 4.750 4.364 4.919 . 0 0 "[ . 1 . 2]" 1
333 1 20 PRO QD 1 21 LEU H 0.000 . 4.860 2.877 2.392 3.778 . 0 0 "[ . 1 . 2]" 1
334 1 20 PRO QD 1 21 LEU HA 0.000 . 6.390 4.445 4.059 4.801 . 0 0 "[ . 1 . 2]" 1
335 1 20 PRO QD 1 21 LEU QD 0.000 . 5.650 3.335 3.068 3.558 . 0 0 "[ . 1 . 2]" 1
336 1 20 PRO HD2 1 21 LEU H 0.000 . 5.500 2.955 2.424 3.978 . 0 0 "[ . 1 . 2]" 1
337 1 20 PRO HD2 1 21 LEU MD1 0.000 . 6.710 4.352 4.169 4.615 . 0 0 "[ . 1 . 2]" 1
338 1 20 PRO HD2 1 21 LEU MD2 0.000 . 6.710 3.583 3.195 3.943 . 0 0 "[ . 1 . 2]" 1
339 1 20 PRO HD3 1 21 LEU H 0.000 . 5.500 4.019 3.681 4.707 . 0 0 "[ . 1 . 2]" 1
340 1 20 PRO HD3 1 21 LEU MD1 0.000 . 6.710 5.487 5.299 5.567 . 0 0 "[ . 1 . 2]" 1
341 1 20 PRO HD3 1 21 LEU MD2 0.000 . 6.710 5.087 4.733 5.427 . 0 0 "[ . 1 . 2]" 1
342 1 21 LEU H 1 21 LEU MD1 0.000 . 4.820 3.328 3.184 3.497 . 0 0 "[ . 1 . 2]" 1
343 1 21 LEU H 1 21 LEU MD2 0.000 . 4.820 3.261 2.920 3.716 . 0 0 "[ . 1 . 2]" 1
344 1 21 LEU H 1 21 LEU HG 0.000 . 2.770 1.943 1.679 2.460 . 0 0 "[ . 1 . 2]" 1
345 1 21 LEU HA 1 21 LEU QD 0.000 . 4.160 2.305 2.063 2.513 . 0 0 "[ . 1 . 2]" 1
346 1 21 LEU HA 1 21 LEU HG 0.000 . 3.580 3.050 2.945 3.146 . 0 0 "[ . 1 . 2]" 1
347 1 21 LEU HA 1 22 GLU H 0.000 . 2.490 2.471 2.425 2.502 0.012 11 0 "[ . 1 . 2]" 1
348 1 21 LEU HA 1 22 GLU QB 0.000 . 4.960 3.876 3.825 3.959 . 0 0 "[ . 1 . 2]" 1
349 1 21 LEU HA 1 33 CYS QB 0.000 . 6.110 4.547 4.236 4.796 . 0 0 "[ . 1 . 2]" 1
350 1 21 LEU HA 1 34 ILE H 0.000 . 4.170 4.115 3.950 4.189 0.019 6 0 "[ . 1 . 2]" 1
351 1 21 LEU HA 1 35 GLY QA 0.000 . 4.780 2.265 1.928 2.877 . 0 0 "[ . 1 . 2]" 1
352 1 21 LEU QB 1 22 GLU H 0.000 . 3.020 2.271 2.198 2.393 . 0 0 "[ . 1 . 2]" 1
353 1 21 LEU QB 1 33 CYS HA 0.000 . 4.930 3.667 3.473 3.778 . 0 0 "[ . 1 . 2]" 1
354 1 21 LEU QB 1 34 ILE H 0.000 . 4.990 3.086 2.759 3.586 . 0 0 "[ . 1 . 2]" 1
355 1 21 LEU HB2 1 22 GLU H 0.000 . 3.360 3.331 3.180 3.368 0.008 6 0 "[ . 1 . 2]" 1
356 1 21 LEU HB2 1 33 CYS HA 0.000 . 5.190 4.835 4.494 5.069 . 0 0 "[ . 1 . 2]" 1
357 1 21 LEU HB2 1 33 CYS HB2 0.000 . 5.000 4.852 4.595 5.010 0.010 19 0 "[ . 1 . 2]" 1
358 1 21 LEU HB2 1 33 CYS HB3 0.000 . 5.000 3.212 2.966 3.396 . 0 0 "[ . 1 . 2]" 1
359 1 21 LEU HB2 1 34 ILE H 0.000 . 5.130 4.578 4.162 5.143 0.013 16 0 "[ . 1 . 2]" 1
360 1 21 LEU HB3 1 22 GLU H 0.000 . 3.360 2.312 2.232 2.454 . 0 0 "[ . 1 . 2]" 1
361 1 21 LEU HB3 1 33 CYS HA 0.000 . 5.190 3.800 3.614 3.900 . 0 0 "[ . 1 . 2]" 1
362 1 21 LEU HB3 1 33 CYS HB2 0.000 . 5.000 4.033 3.771 4.276 . 0 0 "[ . 1 . 2]" 1
363 1 21 LEU HB3 1 33 CYS HB3 0.000 . 5.000 2.306 2.051 2.549 . 0 0 "[ . 1 . 2]" 1
364 1 21 LEU HB3 1 34 ILE H 0.000 . 5.130 3.137 2.800 3.659 . 0 0 "[ . 1 . 2]" 1
365 1 21 LEU QD 1 22 GLU H 0.000 . 5.000 3.411 3.269 3.537 . 0 0 "[ . 1 . 2]" 1
366 1 21 LEU QD 1 22 GLU QB 0.000 . 8.370 4.838 4.711 4.966 . 0 0 "[ . 1 . 2]" 1
367 1 21 LEU QD 1 33 CYS HA 0.000 . 5.820 4.238 4.085 4.340 . 0 0 "[ . 1 . 2]" 1
368 1 21 LEU QD 1 33 CYS QB 0.000 . 4.850 2.332 2.045 2.504 . 0 0 "[ . 1 . 2]" 1
369 1 21 LEU QD 1 34 ILE H 0.000 . 8.070 3.779 3.543 4.110 . 0 0 "[ . 1 . 2]" 1
370 1 21 LEU QD 1 34 ILE HA 0.000 . 8.070 3.315 3.003 3.686 . 0 0 "[ . 1 . 2]" 1
371 1 21 LEU QD 1 35 GLY H 0.000 . 6.520 4.069 3.577 4.306 . 0 0 "[ . 1 . 2]" 1
372 1 21 LEU QD 1 35 GLY QA 0.000 . 6.010 2.737 2.258 3.143 . 0 0 "[ . 1 . 2]" 1
373 1 21 LEU MD1 1 22 GLU H 0.000 . 5.570 4.462 4.326 4.547 . 0 0 "[ . 1 . 2]" 1
374 1 21 LEU MD1 1 33 CYS HA 0.000 . 6.530 4.735 4.459 4.944 . 0 0 "[ . 1 . 2]" 1
375 1 21 LEU MD1 1 33 CYS HB2 0.000 . 6.090 3.369 2.877 3.674 . 0 0 "[ . 1 . 2]" 1
376 1 21 LEU MD1 1 33 CYS HB3 0.000 . 6.090 2.494 2.131 2.746 . 0 0 "[ . 1 . 2]" 1
377 1 21 LEU MD1 1 35 GLY HA2 0.000 . 7.690 5.698 5.072 6.439 . 0 0 "[ . 1 . 2]" 1
378 1 21 LEU MD1 1 35 GLY HA3 0.000 . 7.690 5.715 4.956 6.426 . 0 0 "[ . 1 . 2]" 1
379 1 21 LEU MD2 1 22 GLU H 0.000 . 5.570 3.542 3.369 3.719 . 0 0 "[ . 1 . 2]" 1
380 1 21 LEU MD2 1 33 CYS HA 0.000 . 6.530 4.800 4.527 5.017 . 0 0 "[ . 1 . 2]" 1
381 1 21 LEU MD2 1 33 CYS HB2 0.000 . 6.090 4.184 3.844 4.463 . 0 0 "[ . 1 . 2]" 1
382 1 21 LEU MD2 1 33 CYS HB3 0.000 . 6.090 3.156 2.833 3.419 . 0 0 "[ . 1 . 2]" 1
383 1 21 LEU MD2 1 35 GLY HA2 0.000 . 7.690 3.369 2.459 4.160 . 0 0 "[ . 1 . 2]" 1
384 1 21 LEU MD2 1 35 GLY HA3 0.000 . 7.690 3.116 2.461 3.936 . 0 0 "[ . 1 . 2]" 1
385 1 22 GLU H 1 22 GLU HB2 0.000 . 3.360 2.942 2.608 3.276 . 0 0 "[ . 1 . 2]" 1
386 1 22 GLU H 1 22 GLU QB 0.000 . 3.110 2.602 2.504 2.674 . 0 0 "[ . 1 . 2]" 1
387 1 22 GLU H 1 22 GLU HB3 0.000 . 3.360 2.978 2.676 3.363 0.003 3 0 "[ . 1 . 2]" 1
388 1 22 GLU H 1 22 GLU HG2 0.000 . 5.340 4.788 4.484 5.018 . 0 0 "[ . 1 . 2]" 1
389 1 22 GLU H 1 22 GLU QG 0.000 . 4.880 4.163 3.947 4.328 . 0 0 "[ . 1 . 2]" 1
390 1 22 GLU H 1 22 GLU HG3 0.000 . 5.340 4.593 4.277 4.858 . 0 0 "[ . 1 . 2]" 1
391 1 22 GLU H 1 23 CYS H 0.000 . 4.480 4.187 3.936 4.428 . 0 0 "[ . 1 . 2]" 1
392 1 22 GLU H 1 33 CYS HA 0.000 . 3.920 3.578 3.242 3.793 . 0 0 "[ . 1 . 2]" 1
393 1 22 GLU H 1 34 ILE H 0.000 . 3.170 2.078 1.876 2.320 . 0 0 "[ . 1 . 2]" 1
394 1 22 GLU H 1 34 ILE O 2.200 . 2.200 2.158 2.082 2.216 0.016 1 0 "[ . 1 . 2]" 1
395 1 22 GLU H 1 35 GLY QA 0.000 . 5.030 3.534 2.986 4.115 . 0 0 "[ . 1 . 2]" 1
396 1 22 GLU HA 1 23 CYS H 0.000 . 3.110 2.162 2.130 2.261 . 0 0 "[ . 1 . 2]" 1
397 1 22 GLU QB 1 23 CYS H 0.000 . 4.410 3.708 3.103 3.922 . 0 0 "[ . 1 . 2]" 1
398 1 22 GLU QB 1 24 LYS QE 0.000 . 7.220 4.005 2.740 4.693 . 0 0 "[ . 1 . 2]" 1
399 1 22 GLU QB 1 34 ILE MD 0.000 . 6.270 3.095 1.550 3.907 . 0 0 "[ . 1 . 2]" 1
400 1 22 GLU QG 1 23 CYS H 0.000 . 5.550 2.982 2.248 3.650 . 0 0 "[ . 1 . 2]" 1
401 1 22 GLU QG 1 23 CYS QB 0.000 . 6.690 4.291 3.724 4.835 . 0 0 "[ . 1 . 2]" 1
402 1 22 GLU N 1 34 ILE O 3.200 2.900 3.200 2.913 2.885 2.965 0.015 12 0 "[ . 1 . 2]" 1
403 1 22 GLU O 1 34 ILE H 2.200 . 2.200 2.137 1.981 2.215 0.019 19 0 "[ . 1 . 2]" 1
404 1 22 GLU O 1 34 ILE N 3.200 2.900 3.200 3.040 2.897 3.154 0.003 19 0 "[ . 1 . 2]" 1
405 1 23 CYS H 1 23 CYS HB2 0.000 . 2.870 2.829 2.662 2.912 0.042 14 0 "[ . 1 . 2]" 1
406 1 23 CYS H 1 23 CYS HB3 0.000 . 2.870 2.292 2.173 2.432 . 0 0 "[ . 1 . 2]" 1
407 1 23 CYS H 1 24 LYS QD 0.000 . 6.390 5.457 4.038 5.713 . 0 0 "[ . 1 . 2]" 1
408 1 23 CYS H 1 34 ILE MD 0.000 . 6.400 4.665 3.716 5.129 . 0 0 "[ . 1 . 2]" 1
409 1 23 CYS H 1 34 ILE QG 0.000 . 6.390 5.004 4.458 5.726 . 0 0 "[ . 1 . 2]" 1
410 1 24 LYS H 1 24 LYS QD 0.000 . 4.870 3.339 2.459 3.743 . 0 0 "[ . 1 . 2]" 1
411 1 24 LYS H 1 24 LYS HG2 0.000 . 4.450 3.671 3.192 4.207 . 0 0 "[ . 1 . 2]" 1
412 1 24 LYS H 1 24 LYS QG 0.000 . 4.250 2.362 2.017 3.855 . 0 0 "[ . 1 . 2]" 1
413 1 24 LYS H 1 24 LYS HG3 0.000 . 4.450 2.593 2.028 4.519 0.069 13 0 "[ . 1 . 2]" 1
414 1 24 LYS H 1 31 HIS HB3 0.000 . 5.500 5.399 5.187 5.528 0.028 19 0 "[ . 1 . 2]" 1
415 1 24 LYS H 1 32 LYS H 0.000 . 5.000 4.173 4.027 4.270 . 0 0 "[ . 1 . 2]" 1
416 1 24 LYS H 1 32 LYS O 2.200 . 2.200 2.240 2.170 2.274 0.074 19 0 "[ . 1 . 2]" 1
417 1 24 LYS H 1 33 CYS HA 0.000 . 3.920 3.048 2.883 3.190 . 0 0 "[ . 1 . 2]" 1
418 1 24 LYS H 1 34 ILE H 0.000 . 3.980 3.631 3.356 3.930 . 0 0 "[ . 1 . 2]" 1
419 1 24 LYS H 1 34 ILE MD 0.000 . 6.470 2.139 1.678 2.663 . 0 0 "[ . 1 . 2]" 1
420 1 24 LYS QB 1 26 VAL QG 0.000 . 8.220 5.109 4.923 5.368 . 0 0 "[ . 1 . 2]" 1
421 1 24 LYS QB 1 34 ILE H 0.000 . 6.390 5.588 4.875 5.761 . 0 0 "[ . 1 . 2]" 1
422 1 24 LYS QB 1 34 ILE MD 0.000 . 5.960 3.317 2.764 3.894 . 0 0 "[ . 1 . 2]" 1
423 1 24 LYS QD 1 25 LYS H 0.000 . 5.650 3.251 2.461 3.785 . 0 0 "[ . 1 . 2]" 1
424 1 24 LYS QD 1 26 VAL H 0.000 . 6.390 4.921 3.975 5.616 . 0 0 "[ . 1 . 2]" 1
425 1 24 LYS QD 1 26 VAL QG 0.000 . 7.780 4.049 3.473 4.540 . 0 0 "[ . 1 . 2]" 1
426 1 24 LYS QD 1 34 ILE H 0.000 . 6.390 3.955 3.417 4.296 . 0 0 "[ . 1 . 2]" 1
427 1 24 LYS QD 1 34 ILE MG 0.000 . 6.120 3.184 2.552 3.768 . 0 0 "[ . 1 . 2]" 1
428 1 24 LYS QE 1 25 LYS QG 0.000 . 7.280 5.042 3.888 5.579 . 0 0 "[ . 1 . 2]" 1
429 1 24 LYS QE 1 26 VAL QG 0.000 . 8.960 5.078 3.497 5.721 . 0 0 "[ . 1 . 2]" 1
430 1 24 LYS QE 1 34 ILE HB 0.000 . 6.390 4.945 3.145 5.694 . 0 0 "[ . 1 . 2]" 1
431 1 24 LYS QE 1 34 ILE MD 0.000 . 7.290 3.442 2.404 4.080 . 0 0 "[ . 1 . 2]" 1
432 1 24 LYS QE 1 34 ILE MG 0.000 . 6.950 4.263 2.203 4.867 . 0 0 "[ . 1 . 2]" 1
433 1 24 LYS N 1 32 LYS O 3.200 2.900 3.200 2.946 2.870 3.061 0.030 14 0 "[ . 1 . 2]" 1
434 1 24 LYS O 1 32 LYS H 2.200 . 2.200 2.213 2.168 2.240 0.040 8 0 "[ . 1 . 2]" 1
435 1 24 LYS O 1 32 LYS N 3.200 2.900 3.200 2.874 2.838 2.899 0.062 5 0 "[ . 1 . 2]" 1
436 1 25 LYS H 1 25 LYS HB2 0.000 . 2.930 2.490 2.196 2.908 . 0 0 "[ . 1 . 2]" 1
437 1 25 LYS H 1 25 LYS HB3 0.000 . 2.930 2.587 2.256 2.933 0.003 10 0 "[ . 1 . 2]" 1
438 1 25 LYS H 1 25 LYS QD 0.000 . 6.020 4.636 4.157 4.863 . 0 0 "[ . 1 . 2]" 1
439 1 25 LYS H 1 31 HIS HA 0.000 . 4.940 4.482 4.231 4.705 . 0 0 "[ . 1 . 2]" 1
440 1 25 LYS HA 1 25 LYS HE2 0.000 . 5.500 4.829 3.828 5.477 . 0 0 "[ . 1 . 2]" 1
441 1 25 LYS HA 1 25 LYS HE3 0.000 . 5.500 4.825 3.654 5.508 0.008 16 0 "[ . 1 . 2]" 1
442 1 25 LYS HA 1 26 VAL H 0.000 . 2.490 2.136 2.124 2.144 . 0 0 "[ . 1 . 2]" 1
443 1 25 LYS HA 1 26 VAL QG 0.000 . 6.680 3.164 2.923 3.902 . 0 0 "[ . 1 . 2]" 1
444 1 25 LYS HA 1 27 ASN H 0.000 . 3.500 3.566 3.531 3.604 0.104 9 0 "[ . 1 . 2]" 1
445 1 25 LYS HA 1 31 HIS HA 0.000 . 2.710 1.889 1.622 2.126 . 0 0 "[ . 1 . 2]" 1
446 1 25 LYS HA 1 31 HIS HB2 0.000 . 5.250 4.206 3.904 4.534 . 0 0 "[ . 1 . 2]" 1
447 1 25 LYS HA 1 31 HIS HB3 0.000 . 4.170 3.596 3.331 3.879 . 0 0 "[ . 1 . 2]" 1
448 1 25 LYS HA 1 31 HIS HD2 0.000 . 4.140 3.173 2.734 3.508 . 0 0 "[ . 1 . 2]" 1
449 1 25 LYS HA 1 32 LYS H 0.000 . 3.500 3.080 2.782 3.247 . 0 0 "[ . 1 . 2]" 1
450 1 25 LYS QB 1 27 ASN H 0.000 . 4.670 3.887 3.572 4.059 . 0 0 "[ . 1 . 2]" 1
451 1 25 LYS QB 1 31 HIS HD2 0.000 . 4.680 3.263 2.794 3.745 . 0 0 "[ . 1 . 2]" 1
452 1 25 LYS HB2 1 27 ASN H 0.000 . 5.040 4.671 4.344 4.890 . 0 0 "[ . 1 . 2]" 1
453 1 25 LYS HB2 1 31 HIS HA 0.000 . 5.500 4.149 3.716 4.511 . 0 0 "[ . 1 . 2]" 1
454 1 25 LYS HB2 1 31 HIS HD2 0.000 . 5.500 3.335 2.863 3.825 . 0 0 "[ . 1 . 2]" 1
455 1 25 LYS HB3 1 27 ASN H 0.000 . 5.040 4.188 3.683 4.526 . 0 0 "[ . 1 . 2]" 1
456 1 25 LYS HB3 1 31 HIS HA 0.000 . 5.500 4.844 4.517 5.122 . 0 0 "[ . 1 . 2]" 1
457 1 25 LYS HB3 1 31 HIS HD2 0.000 . 5.500 4.640 3.892 5.347 . 0 0 "[ . 1 . 2]" 1
458 1 25 LYS QD 1 26 VAL H 0.000 . 6.360 4.662 4.096 4.910 . 0 0 "[ . 1 . 2]" 1
459 1 25 LYS QD 1 31 HIS HA 0.000 . 6.390 4.979 3.909 5.525 . 0 0 "[ . 1 . 2]" 1
460 1 25 LYS QD 1 31 HIS HD2 0.000 . 6.390 5.132 4.361 5.722 . 0 0 "[ . 1 . 2]" 1
461 1 25 LYS QE 1 28 TRP HA 0.000 . 4.720 2.895 1.466 3.764 . 0 0 "[ . 1 . 2]" 1
462 1 25 LYS HE2 1 28 TRP HA 0.000 . 5.160 3.592 1.588 4.464 . 0 0 "[ . 1 . 2]" 1
463 1 25 LYS HE3 1 28 TRP HA 0.000 . 5.160 3.449 1.470 4.514 . 0 0 "[ . 1 . 2]" 1
464 1 25 LYS QG 1 27 ASN H 0.000 . 5.030 2.099 1.782 2.402 . 0 0 "[ . 1 . 2]" 1
465 1 25 LYS QG 1 27 ASN HA 0.000 . 6.390 3.820 3.468 4.343 . 0 0 "[ . 1 . 2]" 1
466 1 25 LYS QG 1 30 ASP HA 0.000 . 6.390 5.092 4.642 5.400 . 0 0 "[ . 1 . 2]" 1
467 1 25 LYS QG 1 31 HIS HA 0.000 . 6.390 3.290 2.920 3.646 . 0 0 "[ . 1 . 2]" 1
468 1 25 LYS QG 1 31 HIS HD2 0.000 . 6.300 4.494 3.891 5.016 . 0 0 "[ . 1 . 2]" 1
469 1 26 VAL H 1 26 VAL HB 0.000 . 2.990 2.911 2.348 3.043 0.053 6 0 "[ . 1 . 2]" 1
470 1 26 VAL H 1 26 VAL MG1 0.000 . 4.360 3.725 3.670 3.762 . 0 0 "[ . 1 . 2]" 1
471 1 26 VAL H 1 26 VAL QG 0.000 . 3.860 1.800 1.455 2.692 . 0 0 "[ . 1 . 2]" 1
472 1 26 VAL H 1 26 VAL MG2 0.000 . 4.360 1.807 1.456 2.765 . 0 0 "[ . 1 . 2]" 1
473 1 26 VAL H 1 27 ASN H 0.000 . 2.560 2.201 2.178 2.222 . 0 0 "[ . 1 . 2]" 1
474 1 26 VAL H 1 30 ASP O 2.200 . 2.200 2.075 1.992 2.205 0.008 11 0 "[ . 1 . 2]" 1
475 1 26 VAL H 1 31 HIS HA 0.000 . 3.050 2.220 1.941 2.423 . 0 0 "[ . 1 . 2]" 1
476 1 26 VAL H 1 31 HIS HB3 0.000 . 5.500 4.788 4.521 5.015 . 0 0 "[ . 1 . 2]" 1
477 1 26 VAL H 1 31 HIS HD2 0.000 . 5.500 5.187 4.817 5.485 . 0 0 "[ . 1 . 2]" 1
478 1 26 VAL H 1 32 LYS H 0.000 . 3.700 2.615 2.477 2.873 . 0 0 "[ . 1 . 2]" 1
479 1 26 VAL HA 1 31 HIS HA 0.000 . 5.220 4.928 4.646 5.154 . 0 0 "[ . 1 . 2]" 1
480 1 26 VAL HA 1 32 LYS QB 0.000 . 6.390 4.685 4.485 5.046 . 0 0 "[ . 1 . 2]" 1
481 1 26 VAL HA 1 34 ILE MD 0.000 . 6.530 2.748 1.953 5.168 . 0 0 "[ . 1 . 2]" 1
482 1 26 VAL HA 1 34 ILE MG 0.000 . 6.530 2.191 1.603 2.871 . 0 0 "[ . 1 . 2]" 1
483 1 26 VAL HB 1 27 ASN H 0.000 . 3.110 3.120 3.059 3.147 0.037 9 0 "[ . 1 . 2]" 1
484 1 26 VAL HB 1 27 ASN QD 0.000 . 6.380 2.798 1.656 3.628 . 0 0 "[ . 1 . 2]" 1
485 1 26 VAL QG 1 27 ASN H 0.000 . 4.360 3.222 3.029 3.340 . 0 0 "[ . 1 . 2]" 1
486 1 26 VAL QG 1 27 ASN HA 0.000 . 8.070 4.389 3.654 4.492 . 0 0 "[ . 1 . 2]" 1
487 1 26 VAL QG 1 27 ASN QB 0.000 . 7.870 4.316 3.530 4.413 . 0 0 "[ . 1 . 2]" 1
488 1 26 VAL QG 1 27 ASN QD 0.000 . 8.110 3.168 2.440 3.919 . 0 0 "[ . 1 . 2]" 1
489 1 26 VAL QG 1 29 TRP H 0.000 . 8.070 5.656 5.326 5.896 . 0 0 "[ . 1 . 2]" 1
490 1 26 VAL QG 1 30 ASP H 0.000 . 8.070 4.755 4.321 5.078 . 0 0 "[ . 1 . 2]" 1
491 1 26 VAL QG 1 30 ASP HA 0.000 . 8.070 4.549 4.179 5.290 . 0 0 "[ . 1 . 2]" 1
492 1 26 VAL QG 1 30 ASP QB 0.000 . 5.600 3.150 2.818 3.471 . 0 0 "[ . 1 . 2]" 1
493 1 26 VAL QG 1 31 HIS HA 0.000 . 5.570 2.480 2.001 3.197 . 0 0 "[ . 1 . 2]" 1
494 1 26 VAL QG 1 32 LYS QB 0.000 . 5.360 1.440 1.152 1.817 . 0 0 "[ . 1 . 2]" 1
495 1 26 VAL QG 1 32 LYS QD 0.000 . 6.880 2.647 1.384 3.289 . 0 0 "[ . 1 . 2]" 1
496 1 26 VAL QG 1 32 LYS QE 0.000 . 7.100 2.255 1.389 3.208 . 0 0 "[ . 1 . 2]" 1
497 1 26 VAL QG 1 32 LYS QG 0.000 . 6.410 1.884 1.193 3.119 . 0 0 "[ . 1 . 2]" 1
498 1 26 VAL QG 1 33 CYS H 0.000 . 5.570 3.009 2.689 3.473 . 0 0 "[ . 1 . 2]" 1
499 1 26 VAL QG 1 34 ILE MG 0.000 . 9.100 1.838 1.217 2.342 . 0 0 "[ . 1 . 2]" 1
500 1 26 VAL MG1 1 27 ASN H 0.000 . 5.070 4.164 3.508 4.235 . 0 0 "[ . 1 . 2]" 1
501 1 26 VAL MG1 1 27 ASN HB2 0.000 . 9.610 5.682 4.680 5.991 . 0 0 "[ . 1 . 2]" 1
502 1 26 VAL MG1 1 27 ASN HB3 0.000 . 9.610 5.176 3.706 5.950 . 0 0 "[ . 1 . 2]" 1
503 1 26 VAL MG1 1 30 ASP HB2 0.000 . 7.260 5.952 5.000 6.049 . 0 0 "[ . 1 . 2]" 1
504 1 26 VAL MG1 1 30 ASP HB3 0.000 . 7.260 4.687 3.775 4.863 . 0 0 "[ . 1 . 2]" 1
505 1 26 VAL MG1 1 31 HIS HA 0.000 . 6.280 5.075 4.780 5.261 . 0 0 "[ . 1 . 2]" 1
506 1 26 VAL MG1 1 32 LYS H 0.000 . 5.070 3.927 3.481 4.141 . 0 0 "[ . 1 . 2]" 1
507 1 26 VAL MG1 1 32 LYS HA 0.000 . 6.530 5.168 4.703 5.438 . 0 0 "[ . 1 . 2]" 1
508 1 26 VAL MG1 1 32 LYS QB 0.000 . 5.680 2.708 2.297 3.307 . 0 0 "[ . 1 . 2]" 1
509 1 26 VAL MG1 1 32 LYS QE 0.000 . 7.420 2.944 1.958 4.381 . 0 0 "[ . 1 . 2]" 1
510 1 26 VAL MG1 1 32 LYS QG 0.000 . 6.950 3.769 2.541 4.640 . 0 0 "[ . 1 . 2]" 1
511 1 26 VAL MG1 1 33 CYS H 0.000 . 6.160 3.945 3.349 4.618 . 0 0 "[ . 1 . 2]" 1
512 1 26 VAL MG2 1 27 ASN H 0.000 . 5.070 3.382 3.102 4.112 . 0 0 "[ . 1 . 2]" 1
513 1 26 VAL MG2 1 27 ASN HB2 0.000 . 9.610 5.503 4.498 6.429 . 0 0 "[ . 1 . 2]" 1
514 1 26 VAL MG2 1 27 ASN HB3 0.000 . 9.610 5.739 5.395 6.009 . 0 0 "[ . 1 . 2]" 1
515 1 26 VAL MG2 1 30 ASP HB2 0.000 . 7.260 4.737 4.417 5.876 . 0 0 "[ . 1 . 2]" 1
516 1 26 VAL MG2 1 30 ASP HB3 0.000 . 7.260 3.311 2.879 4.399 . 0 0 "[ . 1 . 2]" 1
517 1 26 VAL MG2 1 31 HIS HA 0.000 . 6.280 2.487 2.003 3.240 . 0 0 "[ . 1 . 2]" 1
518 1 26 VAL MG2 1 32 LYS H 0.000 . 5.070 1.564 1.408 1.739 . 0 0 "[ . 1 . 2]" 1
519 1 26 VAL MG2 1 32 LYS HA 0.000 . 6.530 3.262 3.004 3.440 . 0 0 "[ . 1 . 2]" 1
520 1 26 VAL MG2 1 32 LYS QB 0.000 . 5.680 1.447 1.153 1.833 . 0 0 "[ . 1 . 2]" 1
521 1 26 VAL MG2 1 32 LYS QE 0.000 . 7.420 2.401 1.393 3.535 . 0 0 "[ . 1 . 2]" 1
522 1 26 VAL MG2 1 32 LYS QG 0.000 . 6.950 1.893 1.193 3.169 . 0 0 "[ . 1 . 2]" 1
523 1 26 VAL MG2 1 33 CYS H 0.000 . 6.160 3.138 2.707 3.656 . 0 0 "[ . 1 . 2]" 1
524 1 26 VAL N 1 30 ASP O 3.200 2.900 3.200 2.962 2.881 3.091 0.019 17 0 "[ . 1 . 2]" 1
525 1 27 ASN H 1 27 ASN HB2 0.000 . 3.860 3.272 2.579 3.458 . 0 0 "[ . 1 . 2]" 1
526 1 27 ASN H 1 27 ASN QB 0.000 . 3.400 3.092 2.520 3.199 . 0 0 "[ . 1 . 2]" 1
527 1 27 ASN H 1 27 ASN HB3 0.000 . 3.860 3.828 3.551 3.906 0.046 15 0 "[ . 1 . 2]" 1
528 1 27 ASN H 1 30 ASP H 0.000 . 3.920 3.814 3.551 3.929 0.009 4 0 "[ . 1 . 2]" 1
529 1 27 ASN H 1 31 HIS HA 0.000 . 4.290 3.983 3.777 4.209 . 0 0 "[ . 1 . 2]" 1
530 1 27 ASN HA 1 27 ASN HB2 0.000 . 2.770 2.877 2.810 2.931 0.161 4 0 "[ . 1 . 2]" 1
531 1 27 ASN HA 1 27 ASN HB3 0.000 . 2.770 2.261 2.227 2.743 . 0 0 "[ . 1 . 2]" 1
532 1 27 ASN HA 1 28 TRP HD1 0.000 . 5.500 5.461 5.372 5.529 0.029 10 0 "[ . 1 . 2]" 1
533 1 27 ASN QB 1 28 TRP H 0.000 . 2.630 1.292 1.230 1.510 . 0 0 "[ . 1 . 2]" 1
534 1 27 ASN QB 1 28 TRP HD1 0.000 . 6.390 2.871 2.750 2.962 . 0 0 "[ . 1 . 2]" 1
535 1 27 ASN HB2 1 28 TRP H 0.000 . 2.870 1.339 1.231 2.436 . 0 0 "[ . 1 . 2]" 1
536 1 27 ASN HB3 1 28 TRP H 0.000 . 2.870 2.812 1.525 2.919 0.049 19 0 "[ . 1 . 2]" 1
537 1 27 ASN QD 1 30 ASP QB 0.000 . 4.190 1.825 1.192 2.878 . 0 0 "[ . 1 . 2]" 1
538 1 27 ASN HD21 1 30 ASP HB2 0.000 . 4.950 3.267 1.919 4.869 . 0 0 "[ . 1 . 2]" 1
539 1 27 ASN HD21 1 30 ASP HB3 0.000 . 4.950 3.089 2.164 4.327 . 0 0 "[ . 1 . 2]" 1
540 1 27 ASN HD22 1 30 ASP HB2 0.000 . 4.950 2.799 1.702 4.915 . 0 0 "[ . 1 . 2]" 1
541 1 27 ASN HD22 1 30 ASP HB3 0.000 . 4.950 2.054 1.195 4.966 0.016 5 0 "[ . 1 . 2]" 1
542 1 28 TRP H 1 28 TRP HA 0.000 . 2.870 2.927 2.911 2.939 0.069 16 0 "[ . 1 . 2]" 1
543 1 28 TRP H 1 29 TRP H 0.000 . 3.170 1.696 1.567 2.032 . 0 0 "[ . 1 . 2]" 1
544 1 28 TRP H 1 29 TRP HE3 0.000 . 5.500 3.542 2.191 3.920 . 0 0 "[ . 1 . 2]" 1
545 1 28 TRP H 1 30 ASP H 0.000 . 4.170 2.860 2.595 3.370 . 0 0 "[ . 1 . 2]" 1
546 1 28 TRP HA 1 29 TRP H 0.000 . 3.550 3.395 3.277 3.471 . 0 0 "[ . 1 . 2]" 1
547 1 28 TRP HD1 1 29 TRP H 0.000 . 5.500 1.895 1.582 2.555 . 0 0 "[ . 1 . 2]" 1
548 1 28 TRP HD1 1 29 TRP HD1 0.000 . 5.500 5.364 5.257 5.524 0.024 18 0 "[ . 1 . 2]" 1
549 1 28 TRP HD1 1 29 TRP HE3 0.000 . 4.880 1.683 1.145 2.019 . 0 0 "[ . 1 . 2]" 1
550 1 28 TRP HE1 1 29 TRP H 0.000 . 5.500 4.145 3.866 4.717 . 0 0 "[ . 1 . 2]" 1
551 1 28 TRP HE1 1 29 TRP HD1 0.000 . 5.310 5.289 5.069 5.337 0.027 10 0 "[ . 1 . 2]" 1
552 1 28 TRP HE3 1 29 TRP QB 0.000 . 6.380 5.469 5.271 5.541 . 0 0 "[ . 1 . 2]" 1
553 1 29 TRP H 1 30 ASP H 0.000 . 2.620 1.787 1.652 1.920 . 0 0 "[ . 1 . 2]" 1
554 1 29 TRP H 1 30 ASP QB 0.000 . 4.620 3.731 3.628 3.834 . 0 0 "[ . 1 . 2]" 1
555 1 29 TRP QB 1 30 ASP H 0.000 . 4.370 3.468 3.355 3.651 . 0 0 "[ . 1 . 2]" 1
556 1 29 TRP HD1 1 30 ASP H 0.000 . 5.500 4.063 3.813 4.727 . 0 0 "[ . 1 . 2]" 1
557 1 29 TRP HD1 1 30 ASP HB2 0.000 . 5.500 4.130 3.715 4.312 . 0 0 "[ . 1 . 2]" 1
558 1 29 TRP HD1 1 30 ASP QB 0.000 . 5.200 4.010 3.635 4.165 . 0 0 "[ . 1 . 2]" 1
559 1 29 TRP HD1 1 30 ASP HB3 0.000 . 5.500 5.441 5.161 5.513 0.013 6 0 "[ . 1 . 2]" 1
560 1 29 TRP HE3 1 30 ASP H 0.000 . 5.500 3.860 3.015 4.043 . 0 0 "[ . 1 . 2]" 1
561 1 29 TRP HE3 1 30 ASP QB 0.000 . 6.050 4.548 4.064 4.732 . 0 0 "[ . 1 . 2]" 1
562 1 29 TRP HZ3 1 30 ASP H 0.000 . 5.500 5.308 4.382 5.509 0.009 16 0 "[ . 1 . 2]" 1
563 1 30 ASP H 1 30 ASP HB2 0.000 . 3.080 2.428 2.243 3.023 . 0 0 "[ . 1 . 2]" 1
564 1 30 ASP H 1 30 ASP QB 0.000 . 2.870 2.277 2.192 2.483 . 0 0 "[ . 1 . 2]" 1
565 1 30 ASP H 1 30 ASP HB3 0.000 . 3.080 2.959 2.342 3.108 0.028 7 0 "[ . 1 . 2]" 1
566 1 30 ASP H 1 31 HIS H 0.000 . 4.450 4.363 4.248 4.498 0.048 6 0 "[ . 1 . 2]" 1
567 1 30 ASP HA 1 30 ASP QB 0.000 . 2.690 2.491 2.289 2.532 . 0 0 "[ . 1 . 2]" 1
568 1 30 ASP HA 1 31 HIS H 0.000 . 3.080 2.149 2.137 2.170 . 0 0 "[ . 1 . 2]" 1
569 1 31 HIS H 1 31 HIS HB2 0.000 . 3.360 2.275 2.234 2.332 . 0 0 "[ . 1 . 2]" 1
570 1 31 HIS H 1 31 HIS HB3 0.000 . 3.450 3.513 3.491 3.540 0.090 15 0 "[ . 1 . 2]" 1
571 1 31 HIS HA 1 31 HIS HB2 0.000 . 3.020 2.979 2.971 2.994 . 0 0 "[ . 1 . 2]" 1
572 1 31 HIS HA 1 31 HIS HB3 0.000 . 2.930 2.661 2.627 2.677 . 0 0 "[ . 1 . 2]" 1
573 1 31 HIS HA 1 31 HIS HD2 0.000 . 4.140 3.756 3.499 3.983 . 0 0 "[ . 1 . 2]" 1
574 1 31 HIS HA 1 32 LYS H 0.000 . 2.590 2.152 2.139 2.172 . 0 0 "[ . 1 . 2]" 1
575 1 31 HIS HA 1 32 LYS QG 0.000 . 6.390 3.730 3.363 4.802 . 0 0 "[ . 1 . 2]" 1
576 1 31 HIS HB2 1 31 HIS HD2 0.000 . 3.790 3.768 3.681 3.844 0.054 11 0 "[ . 1 . 2]" 1
577 1 31 HIS HB2 1 32 LYS H 0.000 . 5.000 4.466 4.397 4.510 . 0 0 "[ . 1 . 2]" 1
578 1 31 HIS HB3 1 31 HIS HD2 0.000 . 3.760 2.715 2.694 2.750 . 0 0 "[ . 1 . 2]" 1
579 1 31 HIS HB3 1 32 LYS H 0.000 . 5.000 3.543 3.388 3.656 . 0 0 "[ . 1 . 2]" 1
580 1 31 HIS HD2 1 32 LYS H 0.000 . 5.500 4.787 4.457 5.070 . 0 0 "[ . 1 . 2]" 1
581 1 32 LYS H 1 32 LYS QE 0.000 . 6.390 4.568 3.665 5.347 . 0 0 "[ . 1 . 2]" 1
582 1 32 LYS H 1 33 CYS H 0.000 . 4.010 4.097 4.062 4.136 0.126 17 0 "[ . 1 . 2]" 1
583 1 32 LYS H 1 34 ILE MG 0.000 . 6.310 4.750 4.370 5.060 . 0 0 "[ . 1 . 2]" 1
584 1 32 LYS HA 1 32 LYS QD 0.000 . 4.440 3.959 3.596 4.070 . 0 0 "[ . 1 . 2]" 1
585 1 32 LYS HA 1 33 CYS QB 0.000 . 5.300 4.610 4.543 4.663 . 0 0 "[ . 1 . 2]" 1
586 1 32 LYS QB 1 33 CYS H 0.000 . 3.970 1.723 1.417 1.823 . 0 0 "[ . 1 . 2]" 1
587 1 32 LYS QG 1 33 CYS H 0.000 . 5.710 3.708 3.148 3.832 . 0 0 "[ . 1 . 2]" 1
588 1 33 CYS H 1 33 CYS HB2 0.000 . 3.500 2.295 2.267 2.337 . 0 0 "[ . 1 . 2]" 1
589 1 33 CYS H 1 33 CYS QB 0.000 . 2.770 2.268 2.241 2.308 . 0 0 "[ . 1 . 2]" 1
590 1 33 CYS H 1 33 CYS HB3 0.000 . 3.500 3.546 3.525 3.572 0.072 11 0 "[ . 1 . 2]" 1
591 1 33 CYS H 1 34 ILE MD 0.000 . 6.190 3.859 3.416 5.060 . 0 0 "[ . 1 . 2]" 1
592 1 33 CYS H 1 34 ILE MG 0.000 . 6.310 4.833 4.657 5.051 . 0 0 "[ . 1 . 2]" 1
593 1 33 CYS HA 1 34 ILE H 0.000 . 2.460 2.180 2.153 2.219 . 0 0 "[ . 1 . 2]" 1
594 1 33 CYS HA 1 34 ILE HG12 0.000 . 5.500 3.970 3.486 5.166 . 0 0 "[ . 1 . 2]" 1
595 1 33 CYS HA 1 34 ILE HG13 0.000 . 5.500 4.944 3.458 5.278 . 0 0 "[ . 1 . 2]" 1
596 1 33 CYS HA 1 34 ILE MG 0.000 . 6.530 4.530 4.366 4.718 . 0 0 "[ . 1 . 2]" 1
597 1 33 CYS QB 1 34 ILE H 0.000 . 3.990 3.183 3.002 3.350 . 0 0 "[ . 1 . 2]" 1
598 1 33 CYS QB 1 34 ILE MG 0.000 . 6.700 4.882 4.755 4.931 . 0 0 "[ . 1 . 2]" 1
599 1 33 CYS HB2 1 34 ILE H 0.000 . 4.420 4.313 4.206 4.411 . 0 0 "[ . 1 . 2]" 1
600 1 33 CYS HB3 1 34 ILE H 0.000 . 4.420 3.279 3.074 3.474 . 0 0 "[ . 1 . 2]" 1
601 1 34 ILE H 1 34 ILE HB 0.000 . 3.500 3.529 3.475 3.570 0.070 6 0 "[ . 1 . 2]" 1
602 1 34 ILE H 1 34 ILE MD 0.000 . 5.470 1.889 1.193 2.590 . 0 0 "[ . 1 . 2]" 1
603 1 34 ILE H 1 34 ILE HG12 0.000 . 3.730 2.214 1.737 3.643 . 0 0 "[ . 1 . 2]" 1
604 1 34 ILE H 1 34 ILE HG13 0.000 . 3.730 3.440 2.451 3.681 . 0 0 "[ . 1 . 2]" 1
605 1 34 ILE H 1 35 GLY H 0.000 . 4.510 4.207 3.891 4.446 . 0 0 "[ . 1 . 2]" 1
606 1 34 ILE HB 1 35 GLY H 0.000 . 2.870 1.582 1.244 2.075 . 0 0 "[ . 1 . 2]" 1
607 1 34 ILE MD 1 35 GLY H 0.000 . 5.470 4.209 3.272 4.569 . 0 0 "[ . 1 . 2]" 1
608 1 34 ILE HG12 1 35 GLY H 0.000 . 5.100 3.665 2.996 4.138 . 0 0 "[ . 1 . 2]" 1
609 1 34 ILE HG13 1 35 GLY H 0.000 . 5.100 3.932 3.302 4.443 . 0 0 "[ . 1 . 2]" 1
610 1 34 ILE MG 1 35 GLY H 0.000 . 4.510 2.873 2.575 3.087 . 0 0 "[ . 1 . 2]" 1
611 1 35 GLY H 1 35 GLY HA2 0.000 . 2.930 2.841 2.453 2.953 0.023 6 0 "[ . 1 . 2]" 1
612 1 35 GLY H 1 35 GLY HA3 0.000 . 2.930 2.700 2.416 2.953 0.023 10 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 7:21:23 AM GMT (wattos1)