NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378078 |
1gnf   |
4423 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gnf
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 518
_Distance_constraint_stats_list.Viol_count 955
_Distance_constraint_stats_list.Viol_total 1350.894
_Distance_constraint_stats_list.Viol_max 0.207
_Distance_constraint_stats_list.Viol_rms 0.0208
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0566
_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 SER 0.045 0.026 8 0 "[ . 1 . 2 .]"
1 3 GLU 1.878 0.074 10 0 "[ . 1 . 2 .]"
1 4 ALA 1.492 0.074 10 0 "[ . 1 . 2 .]"
1 5 ARG 0.411 0.052 14 0 "[ . 1 . 2 .]"
1 6 GLU 0.270 0.049 6 0 "[ . 1 . 2 .]"
1 7 CYS 4.658 0.107 2 0 "[ . 1 . 2 .]"
1 8 VAL 0.975 0.077 10 0 "[ . 1 . 2 .]"
1 9 ASN 0.436 0.050 6 0 "[ . 1 . 2 .]"
1 10 CYS 6.855 0.204 10 0 "[ . 1 . 2 .]"
1 11 GLY 1.665 0.082 9 0 "[ . 1 . 2 .]"
1 12 ALA 0.213 0.044 14 0 "[ . 1 . 2 .]"
1 13 THR 0.127 0.049 6 0 "[ . 1 . 2 .]"
1 14 ALA 0.069 0.022 22 0 "[ . 1 . 2 .]"
1 15 THR 0.003 0.003 20 0 "[ . 1 . 2 .]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 LEU 0.097 0.035 14 0 "[ . 1 . 2 .]"
1 18 TRP 2.944 0.081 22 0 "[ . 1 . 2 .]"
1 19 ARG 0.037 0.012 17 0 "[ . 1 . 2 .]"
1 20 ARG 2.665 0.078 23 0 "[ . 1 . 2 .]"
1 21 ASP 3.943 0.166 12 0 "[ . 1 . 2 .]"
1 22 ARG 0.539 0.114 15 0 "[ . 1 . 2 .]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 GLY 1.407 0.168 19 0 "[ . 1 . 2 .]"
1 25 HIS 0.412 0.045 20 0 "[ . 1 . 2 .]"
1 26 TYR 4.047 0.144 11 0 "[ . 1 . 2 .]"
1 27 LEU 0.712 0.077 10 0 "[ . 1 . 2 .]"
1 28 CYS 0.671 0.041 6 0 "[ . 1 . 2 .]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 ALA 1.101 0.081 22 0 "[ . 1 . 2 .]"
1 31 CYS 6.179 0.207 16 0 "[ . 1 . 2 .]"
1 32 GLY 0.286 0.062 7 0 "[ . 1 . 2 .]"
1 33 LEU 3.251 0.203 9 0 "[ . 1 . 2 .]"
1 34 TYR 0.206 0.023 23 0 "[ . 1 . 2 .]"
1 35 HIS 1.723 0.106 18 0 "[ . 1 . 2 .]"
1 36 LYS 0.285 0.054 6 0 "[ . 1 . 2 .]"
1 37 MET 1.944 0.075 16 0 "[ . 1 . 2 .]"
1 38 ASN 2.600 0.075 16 0 "[ . 1 . 2 .]"
1 39 GLY 4.362 0.166 16 0 "[ . 1 . 2 .]"
1 40 GLN 0.082 0.028 11 0 "[ . 1 . 2 .]"
1 41 ASN 0.533 0.066 21 0 "[ . 1 . 2 .]"
1 42 ARG 0.107 0.070 10 0 "[ . 1 . 2 .]"
1 43 PRO 0.576 0.088 8 0 "[ . 1 . 2 .]"
1 44 LEU 3.083 0.178 20 0 "[ . 1 . 2 .]"
1 45 ILE 3.877 0.177 3 0 "[ . 1 . 2 .]"
1 46 ARG 2.572 0.118 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 2 SER H 1 3 GLU H 0.000 . 3.500 2.638 1.898 3.314 . 0 0 "[ . 1 . 2 .]" 1
2 1 2 SER HA 1 3 GLU H 0.000 . 3.500 2.971 2.528 3.526 0.026 8 0 "[ . 1 . 2 .]" 1
3 1 2 SER HA 1 3 GLU HA 0.000 . 5.000 4.842 4.692 4.971 . 0 0 "[ . 1 . 2 .]" 1
4 1 2 SER QB 1 3 GLU H 0.000 . 6.000 3.715 1.882 4.078 . 0 0 "[ . 1 . 2 .]" 1
5 1 3 GLU H 1 3 GLU HA 0.000 . 2.800 2.807 2.766 2.863 0.063 14 0 "[ . 1 . 2 .]" 1
6 1 3 GLU H 1 3 GLU HB2 0.000 . 2.800 2.272 2.066 2.556 . 0 0 "[ . 1 . 2 .]" 1
7 1 3 GLU H 1 3 GLU HB3 0.000 . 3.500 2.638 2.325 2.891 . 0 0 "[ . 1 . 2 .]" 1
8 1 3 GLU H 1 3 GLU QG 0.000 . 4.500 3.857 3.710 4.003 . 0 0 "[ . 1 . 2 .]" 1
9 1 3 GLU H 1 4 ALA H 0.000 . 3.500 3.164 2.953 3.418 . 0 0 "[ . 1 . 2 .]" 1
10 1 3 GLU HA 1 4 ALA H 0.000 . 3.500 3.559 3.519 3.574 0.074 10 0 "[ . 1 . 2 .]" 1
11 1 3 GLU HB2 1 4 ALA H 0.000 . 3.500 3.397 3.253 3.505 0.005 17 0 "[ . 1 . 2 .]" 1
12 1 3 GLU HB3 1 4 ALA H 0.000 . 3.500 1.953 1.839 2.298 . 0 0 "[ . 1 . 2 .]" 1
13 1 3 GLU HG2 1 4 ALA H 0.000 . 5.000 3.468 2.227 4.356 . 0 0 "[ . 1 . 2 .]" 1
14 1 3 GLU HG3 1 4 ALA H 0.000 . 5.000 4.163 2.214 4.928 . 0 0 "[ . 1 . 2 .]" 1
15 1 4 ALA H 1 4 ALA MB 0.000 . 3.300 2.042 1.910 2.164 . 0 0 "[ . 1 . 2 .]" 1
16 1 4 ALA H 1 5 ARG H 0.000 . 5.000 4.624 4.448 4.695 . 0 0 "[ . 1 . 2 .]" 1
17 1 4 ALA H 1 13 THR MG 0.000 . 5.000 3.571 3.017 4.014 . 0 0 "[ . 1 . 2 .]" 1
18 1 4 ALA HA 1 5 ARG H 0.000 . 2.800 2.471 2.209 2.819 0.019 1 0 "[ . 1 . 2 .]" 1
19 1 4 ALA MB 1 5 ARG H 0.000 . 4.300 2.551 1.901 3.342 . 0 0 "[ . 1 . 2 .]" 1
20 1 4 ALA MB 1 13 THR H 0.000 . 6.500 5.279 5.044 5.378 . 0 0 "[ . 1 . 2 .]" 1
21 1 4 ALA MB 1 15 THR H 0.000 . 6.500 4.711 4.204 5.358 . 0 0 "[ . 1 . 2 .]" 1
22 1 5 ARG H 1 6 GLU H 0.000 . 5.000 4.606 4.456 4.678 . 0 0 "[ . 1 . 2 .]" 1
23 1 5 ARG H 1 13 THR MG 0.000 . 6.500 4.054 3.000 5.475 . 0 0 "[ . 1 . 2 .]" 1
24 1 5 ARG HA 1 6 GLU H 0.000 . 2.800 2.539 2.349 2.694 . 0 0 "[ . 1 . 2 .]" 1
25 1 5 ARG HA 1 26 TYR CG 0.000 . 7.000 5.952 5.770 6.207 . 0 0 "[ . 1 . 2 .]" 1
26 1 5 ARG HA 1 26 TYR CZ 0.000 . 7.000 7.015 6.989 7.052 0.052 14 0 "[ . 1 . 2 .]" 1
27 1 5 ARG QB 1 6 GLU H 0.000 . 6.000 2.471 2.134 3.098 . 0 0 "[ . 1 . 2 .]" 1
28 1 5 ARG HB2 1 6 GLU H 0.000 . 5.000 3.804 3.108 4.267 . 0 0 "[ . 1 . 2 .]" 1
29 1 5 ARG HB3 1 6 GLU H 0.000 . 5.000 2.507 2.152 3.181 . 0 0 "[ . 1 . 2 .]" 1
30 1 6 GLU H 1 7 CYS H 0.000 . 5.000 4.223 4.137 4.339 . 0 0 "[ . 1 . 2 .]" 1
31 1 6 GLU HA 1 7 CYS H 0.000 . 3.500 2.221 2.210 2.237 . 0 0 "[ . 1 . 2 .]" 1
32 1 6 GLU HA 1 12 ALA H 0.000 . 5.000 4.979 4.885 5.044 0.044 14 0 "[ . 1 . 2 .]" 1
33 1 6 GLU HA 1 13 THR H 0.000 . 5.000 4.868 4.394 5.049 0.049 6 0 "[ . 1 . 2 .]" 1
34 1 6 GLU HA 1 13 THR MG 0.000 . 5.000 3.724 3.339 4.078 . 0 0 "[ . 1 . 2 .]" 1
35 1 6 GLU HA 1 18 TRP HH2 0.000 . 3.500 2.388 2.010 2.716 . 0 0 "[ . 1 . 2 .]" 1
36 1 6 GLU HA 1 18 TRP HZ3 0.000 . 5.000 3.691 3.532 3.931 . 0 0 "[ . 1 . 2 .]" 1
37 1 6 GLU QB 1 7 CYS H 0.000 . 4.500 3.722 3.453 3.887 . 0 0 "[ . 1 . 2 .]" 1
38 1 6 GLU QB 1 11 GLY QA 0.000 . 7.000 3.133 2.495 3.615 . 0 0 "[ . 1 . 2 .]" 1
39 1 6 GLU QB 1 13 THR MG 0.000 . 7.500 4.686 4.374 5.239 . 0 0 "[ . 1 . 2 .]" 1
40 1 6 GLU QB 1 18 TRP HH2 0.000 . 6.000 4.391 4.067 4.640 . 0 0 "[ . 1 . 2 .]" 1
41 1 6 GLU QG 1 7 CYS H 0.000 . 4.500 3.573 3.123 3.973 . 0 0 "[ . 1 . 2 .]" 1
42 1 6 GLU QG 1 11 GLY HA2 0.000 . 6.000 2.803 1.968 3.595 . 0 0 "[ . 1 . 2 .]" 1
43 1 6 GLU QG 1 11 GLY HA3 0.000 . 6.000 3.425 2.651 4.121 . 0 0 "[ . 1 . 2 .]" 1
44 1 6 GLU QG 1 13 THR MG 0.000 . 6.000 3.396 2.619 4.121 . 0 0 "[ . 1 . 2 .]" 1
45 1 6 GLU QG 1 18 TRP HH2 0.000 . 6.000 4.087 3.851 4.425 . 0 0 "[ . 1 . 2 .]" 1
46 1 7 CYS H 1 7 CYS HB2 0.000 . 3.500 2.281 2.221 2.332 . 0 0 "[ . 1 . 2 .]" 1
47 1 7 CYS H 1 7 CYS HB3 0.000 . 3.500 2.582 2.522 2.650 . 0 0 "[ . 1 . 2 .]" 1
48 1 7 CYS H 1 8 VAL H 0.000 . 5.000 4.445 4.397 4.525 . 0 0 "[ . 1 . 2 .]" 1
49 1 7 CYS H 1 10 CYS H 0.000 . 5.000 5.086 5.054 5.107 0.107 2 0 "[ . 1 . 2 .]" 1
50 1 7 CYS H 1 11 GLY H 0.000 . 5.000 3.705 3.609 3.791 . 0 0 "[ . 1 . 2 .]" 1
51 1 7 CYS H 1 11 GLY QA 0.000 . 6.000 2.767 2.564 2.981 . 0 0 "[ . 1 . 2 .]" 1
52 1 7 CYS H 1 12 ALA H 0.000 . 5.000 3.310 3.227 3.406 . 0 0 "[ . 1 . 2 .]" 1
53 1 7 CYS H 1 12 ALA HA 0.000 . 5.000 4.570 4.402 4.690 . 0 0 "[ . 1 . 2 .]" 1
54 1 7 CYS H 1 12 ALA MB 0.000 . 5.000 3.526 3.390 3.676 . 0 0 "[ . 1 . 2 .]" 1
55 1 7 CYS H 1 13 THR MG 0.000 . 6.500 4.953 4.682 5.202 . 0 0 "[ . 1 . 2 .]" 1
56 1 7 CYS H 1 18 TRP HE3 0.000 . 5.000 5.014 4.917 5.052 0.052 2 0 "[ . 1 . 2 .]" 1
57 1 7 CYS H 1 18 TRP HZ2 0.000 . 5.000 4.681 4.309 5.019 0.019 19 0 "[ . 1 . 2 .]" 1
58 1 7 CYS H 1 18 TRP HZ3 0.000 . 3.500 2.577 2.473 2.626 . 0 0 "[ . 1 . 2 .]" 1
59 1 7 CYS H 1 28 CYS HB3 0.000 . 5.000 4.035 3.871 4.184 . 0 0 "[ . 1 . 2 .]" 1
60 1 7 CYS HA 1 8 VAL H 0.000 . 2.800 2.216 2.194 2.235 . 0 0 "[ . 1 . 2 .]" 1
61 1 7 CYS HA 1 8 VAL MG1 0.000 . 6.500 3.707 3.472 4.028 . 0 0 "[ . 1 . 2 .]" 1
62 1 7 CYS HA 1 8 VAL MG2 0.000 . 6.500 4.333 3.369 5.459 . 0 0 "[ . 1 . 2 .]" 1
63 1 7 CYS HA 1 9 ASN H 0.000 . 5.000 3.469 3.394 3.609 . 0 0 "[ . 1 . 2 .]" 1
64 1 7 CYS HA 1 18 TRP HE3 0.000 . 5.000 3.786 3.548 4.002 . 0 0 "[ . 1 . 2 .]" 1
65 1 7 CYS HA 1 18 TRP HH2 0.000 . 5.000 4.044 3.777 4.267 . 0 0 "[ . 1 . 2 .]" 1
66 1 7 CYS HA 1 18 TRP HZ3 0.000 . 3.500 2.096 1.844 2.330 . 0 0 "[ . 1 . 2 .]" 1
67 1 7 CYS HA 1 26 TYR QB 0.000 . 6.000 3.516 3.285 3.752 . 0 0 "[ . 1 . 2 .]" 1
68 1 7 CYS HA 1 27 LEU HA 0.000 . 5.000 2.794 2.464 3.108 . 0 0 "[ . 1 . 2 .]" 1
69 1 7 CYS HA 1 27 LEU QD 0.000 . 7.900 3.948 3.316 4.509 . 0 0 "[ . 1 . 2 .]" 1
70 1 7 CYS HA 1 28 CYS H 0.000 . 5.000 4.078 3.976 4.188 . 0 0 "[ . 1 . 2 .]" 1
71 1 7 CYS QB 1 9 ASN H 0.000 . 6.000 3.422 3.303 3.477 . 0 0 "[ . 1 . 2 .]" 1
72 1 7 CYS QB 1 10 CYS H 0.000 . 6.000 2.541 2.480 2.603 . 0 0 "[ . 1 . 2 .]" 1
73 1 7 CYS QB 1 12 ALA MB 0.000 . 7.500 2.018 1.880 2.155 . 0 0 "[ . 1 . 2 .]" 1
74 1 7 CYS QB 1 27 LEU HA 0.000 . 6.000 3.668 3.506 3.818 . 0 0 "[ . 1 . 2 .]" 1
75 1 7 CYS HB2 1 8 VAL H 0.000 . 5.000 4.509 4.418 4.560 . 0 0 "[ . 1 . 2 .]" 1
76 1 7 CYS HB2 1 11 GLY H 0.000 . 3.500 3.565 3.550 3.582 0.082 9 0 "[ . 1 . 2 .]" 1
77 1 7 CYS HB2 1 12 ALA H 0.000 . 3.500 2.662 2.552 2.801 . 0 0 "[ . 1 . 2 .]" 1
78 1 7 CYS HB2 1 12 ALA HA 0.000 . 5.000 4.353 4.130 4.579 . 0 0 "[ . 1 . 2 .]" 1
79 1 7 CYS HB2 1 18 TRP HH2 0.000 . 5.000 3.574 3.325 3.841 . 0 0 "[ . 1 . 2 .]" 1
80 1 7 CYS HB2 1 18 TRP HZ3 0.000 . 3.500 3.069 2.872 3.226 . 0 0 "[ . 1 . 2 .]" 1
81 1 7 CYS HB2 1 28 CYS H 0.000 . 3.500 3.505 3.396 3.534 0.034 16 0 "[ . 1 . 2 .]" 1
82 1 7 CYS HB2 1 28 CYS QB 0.000 . 6.000 2.004 1.908 2.172 . 0 0 "[ . 1 . 2 .]" 1
83 1 7 CYS HB3 1 8 VAL H 0.000 . 5.000 4.345 4.291 4.375 . 0 0 "[ . 1 . 2 .]" 1
84 1 7 CYS HB3 1 11 GLY H 0.000 . 3.500 1.826 1.808 1.850 . 0 0 "[ . 1 . 2 .]" 1
85 1 7 CYS HB3 1 12 ALA H 0.000 . 3.500 1.795 1.750 1.848 . 0 0 "[ . 1 . 2 .]" 1
86 1 7 CYS HB3 1 12 ALA HA 0.000 . 5.000 4.360 4.285 4.451 . 0 0 "[ . 1 . 2 .]" 1
87 1 7 CYS HB3 1 18 TRP HH2 0.000 . 5.000 4.588 4.289 4.950 . 0 0 "[ . 1 . 2 .]" 1
88 1 7 CYS HB3 1 18 TRP HZ3 0.000 . 5.000 4.199 4.038 4.341 . 0 0 "[ . 1 . 2 .]" 1
89 1 7 CYS HB3 1 28 CYS H 0.000 . 5.000 4.476 4.407 4.517 . 0 0 "[ . 1 . 2 .]" 1
90 1 7 CYS HB3 1 28 CYS QB 0.000 . 6.000 3.403 3.332 3.523 . 0 0 "[ . 1 . 2 .]" 1
91 1 8 VAL H 1 8 VAL HB 0.000 . 3.500 3.007 2.219 3.528 0.028 18 0 "[ . 1 . 2 .]" 1
92 1 8 VAL H 1 9 ASN H 0.000 . 3.500 2.807 2.781 2.855 . 0 0 "[ . 1 . 2 .]" 1
93 1 8 VAL H 1 9 ASN QB 0.000 . 6.000 4.521 4.469 4.594 . 0 0 "[ . 1 . 2 .]" 1
94 1 8 VAL H 1 18 TRP HZ3 0.000 . 5.000 3.868 3.561 4.113 . 0 0 "[ . 1 . 2 .]" 1
95 1 8 VAL H 1 25 HIS QB 0.000 . 6.000 3.763 3.529 4.026 . 0 0 "[ . 1 . 2 .]" 1
96 1 8 VAL H 1 26 TYR H 0.000 . 5.000 2.958 2.823 3.135 . 0 0 "[ . 1 . 2 .]" 1
97 1 8 VAL H 1 27 LEU HA 0.000 . 5.000 3.328 3.138 3.584 . 0 0 "[ . 1 . 2 .]" 1
98 1 8 VAL H 1 27 LEU QD 0.000 . 7.900 3.423 2.851 4.147 . 0 0 "[ . 1 . 2 .]" 1
99 1 8 VAL H 1 27 LEU HG 0.000 . 5.000 4.862 4.321 5.077 0.077 10 0 "[ . 1 . 2 .]" 1
100 1 8 VAL HA 1 8 VAL HB 0.000 . 2.800 2.509 2.440 2.576 . 0 0 "[ . 1 . 2 .]" 1
101 1 8 VAL HA 1 9 ASN H 0.000 . 3.500 3.477 3.469 3.485 . 0 0 "[ . 1 . 2 .]" 1
102 1 8 VAL HA 1 9 ASN HA 0.000 . 5.000 4.694 4.619 4.726 . 0 0 "[ . 1 . 2 .]" 1
103 1 8 VAL HA 1 27 LEU QD 0.000 . 7.900 4.810 4.428 5.394 . 0 0 "[ . 1 . 2 .]" 1
104 1 8 VAL HB 1 9 ASN H 0.000 . 5.000 4.018 3.840 4.175 . 0 0 "[ . 1 . 2 .]" 1
105 1 8 VAL HB 1 25 HIS HB2 0.000 . 5.000 4.673 4.077 5.039 0.039 5 0 "[ . 1 . 2 .]" 1
106 1 8 VAL HB 1 25 HIS HB3 0.000 . 5.000 3.162 2.354 3.753 . 0 0 "[ . 1 . 2 .]" 1
107 1 8 VAL HB 1 25 HIS HD2 0.000 . 5.000 3.482 2.321 4.974 . 0 0 "[ . 1 . 2 .]" 1
108 1 8 VAL HB 1 26 TYR H 0.000 . 5.000 3.620 2.089 4.786 . 0 0 "[ . 1 . 2 .]" 1
109 1 8 VAL HB 1 27 LEU QD 0.000 . 7.900 4.025 3.649 4.569 . 0 0 "[ . 1 . 2 .]" 1
110 1 8 VAL QG 1 9 ASN QB 0.000 . 8.900 3.066 2.886 3.262 . 0 0 "[ . 1 . 2 .]" 1
111 1 8 VAL QG 1 27 LEU HA 0.000 . 7.900 2.885 2.501 3.101 . 0 0 "[ . 1 . 2 .]" 1
112 1 8 VAL QG 1 27 LEU QD 0.000 . 8.600 1.805 1.573 2.392 . 0 0 "[ . 1 . 2 .]" 1
113 1 8 VAL MG1 1 9 ASN H 0.000 . 6.500 3.240 2.050 4.098 . 0 0 "[ . 1 . 2 .]" 1
114 1 8 VAL MG1 1 25 HIS HA 0.000 . 5.500 3.220 2.410 4.147 . 0 0 "[ . 1 . 2 .]" 1
115 1 8 VAL MG1 1 25 HIS HB2 0.000 . 5.000 3.240 2.667 3.753 . 0 0 "[ . 1 . 2 .]" 1
116 1 8 VAL MG1 1 25 HIS HB3 0.000 . 5.000 1.980 1.739 2.307 . 0 0 "[ . 1 . 2 .]" 1
117 1 8 VAL MG1 1 25 HIS HD2 0.000 . 5.000 2.894 1.932 3.998 . 0 0 "[ . 1 . 2 .]" 1
118 1 8 VAL MG1 1 26 TYR H 0.000 . 5.000 2.246 1.875 2.887 . 0 0 "[ . 1 . 2 .]" 1
119 1 8 VAL MG2 1 9 ASN H 0.000 . 6.500 2.882 1.979 3.989 . 0 0 "[ . 1 . 2 .]" 1
120 1 8 VAL MG2 1 25 HIS HA 0.000 . 5.500 3.905 3.525 4.394 . 0 0 "[ . 1 . 2 .]" 1
121 1 8 VAL MG2 1 25 HIS HB2 0.000 . 5.000 3.401 2.829 4.079 . 0 0 "[ . 1 . 2 .]" 1
122 1 8 VAL MG2 1 25 HIS HB3 0.000 . 5.000 2.342 1.740 3.292 . 0 0 "[ . 1 . 2 .]" 1
123 1 8 VAL MG2 1 25 HIS HD2 0.000 . 5.000 2.782 1.872 4.020 . 0 0 "[ . 1 . 2 .]" 1
124 1 8 VAL MG2 1 26 TYR H 0.000 . 5.000 3.028 1.869 4.199 . 0 0 "[ . 1 . 2 .]" 1
125 1 9 ASN H 1 9 ASN HB2 0.000 . 3.500 2.119 2.076 2.188 . 0 0 "[ . 1 . 2 .]" 1
126 1 9 ASN H 1 9 ASN HB3 0.000 . 3.500 3.456 3.427 3.505 0.005 23 0 "[ . 1 . 2 .]" 1
127 1 9 ASN H 1 9 ASN HD21 0.000 . 5.000 4.215 2.861 4.894 . 0 0 "[ . 1 . 2 .]" 1
128 1 9 ASN H 1 9 ASN HD22 0.000 . 5.000 4.872 4.246 5.050 0.050 6 0 "[ . 1 . 2 .]" 1
129 1 9 ASN H 1 10 CYS H 0.000 . 2.800 2.634 2.499 2.698 . 0 0 "[ . 1 . 2 .]" 1
130 1 9 ASN H 1 11 GLY H 0.000 . 5.000 3.311 3.226 3.351 . 0 0 "[ . 1 . 2 .]" 1
131 1 9 ASN H 1 27 LEU HA 0.000 . 5.000 3.379 3.271 3.606 . 0 0 "[ . 1 . 2 .]" 1
132 1 9 ASN H 1 27 LEU MD1 0.000 . 6.500 3.485 2.204 5.468 . 0 0 "[ . 1 . 2 .]" 1
133 1 9 ASN H 1 27 LEU MD2 0.000 . 6.500 4.195 2.601 5.062 . 0 0 "[ . 1 . 2 .]" 1
134 1 9 ASN HB2 1 10 CYS H 0.000 . 3.500 2.479 2.317 2.588 . 0 0 "[ . 1 . 2 .]" 1
135 1 9 ASN HB2 1 11 GLY H 0.000 . 5.000 4.314 4.150 4.507 . 0 0 "[ . 1 . 2 .]" 1
136 1 9 ASN HB2 1 27 LEU QD 0.000 . 7.900 2.377 1.999 2.818 . 0 0 "[ . 1 . 2 .]" 1
137 1 9 ASN HB3 1 10 CYS H 0.000 . 3.500 2.902 2.776 3.008 . 0 0 "[ . 1 . 2 .]" 1
138 1 9 ASN HB3 1 11 GLY H 0.000 . 5.000 4.932 4.803 5.025 0.025 14 0 "[ . 1 . 2 .]" 1
139 1 9 ASN HD21 1 42 ARG QB 0.000 . 6.000 3.914 2.350 5.294 . 0 0 "[ . 1 . 2 .]" 1
140 1 9 ASN HD21 1 44 LEU MD1 0.000 . 6.500 3.594 2.179 4.792 . 0 0 "[ . 1 . 2 .]" 1
141 1 9 ASN HD21 1 44 LEU MD2 0.000 . 6.500 4.053 1.901 5.277 . 0 0 "[ . 1 . 2 .]" 1
142 1 9 ASN HD22 1 42 ARG QB 0.000 . 6.000 3.781 2.624 4.864 . 0 0 "[ . 1 . 2 .]" 1
143 1 9 ASN HD22 1 44 LEU MD1 0.000 . 6.500 4.305 2.768 5.295 . 0 0 "[ . 1 . 2 .]" 1
144 1 9 ASN HD22 1 44 LEU MD2 0.000 . 6.500 4.870 3.272 5.407 . 0 0 "[ . 1 . 2 .]" 1
145 1 10 CYS H 1 10 CYS HB2 0.000 . 3.500 3.688 3.671 3.704 0.204 10 0 "[ . 1 . 2 .]" 1
146 1 10 CYS H 1 10 CYS HB3 0.000 . 3.500 2.671 2.597 2.734 . 0 0 "[ . 1 . 2 .]" 1
147 1 10 CYS H 1 11 GLY H 0.000 . 3.500 2.194 2.130 2.310 . 0 0 "[ . 1 . 2 .]" 1
148 1 10 CYS H 1 11 GLY QA 0.000 . 6.000 4.176 4.126 4.254 . 0 0 "[ . 1 . 2 .]" 1
149 1 10 CYS H 1 12 ALA H 0.000 . 5.000 3.379 3.355 3.438 . 0 0 "[ . 1 . 2 .]" 1
150 1 10 CYS HA 1 11 GLY H 0.000 . 5.000 3.321 3.276 3.360 . 0 0 "[ . 1 . 2 .]" 1
151 1 10 CYS HA 1 44 LEU MD1 0.000 . 6.500 3.862 1.949 5.448 . 0 0 "[ . 1 . 2 .]" 1
152 1 10 CYS HA 1 44 LEU MD2 0.000 . 6.500 3.820 2.042 5.023 . 0 0 "[ . 1 . 2 .]" 1
153 1 10 CYS QB 1 12 ALA H 0.000 . 6.000 3.719 3.659 3.782 . 0 0 "[ . 1 . 2 .]" 1
154 1 10 CYS HB2 1 11 GLY H 0.000 . 5.000 4.446 4.382 4.504 . 0 0 "[ . 1 . 2 .]" 1
155 1 10 CYS HB2 1 44 LEU MD1 0.000 . 6.500 4.638 2.597 5.360 . 0 0 "[ . 1 . 2 .]" 1
156 1 10 CYS HB2 1 44 LEU MD2 0.000 . 6.500 4.281 2.703 5.432 . 0 0 "[ . 1 . 2 .]" 1
157 1 10 CYS HB3 1 11 GLY H 0.000 . 5.000 4.240 4.197 4.270 . 0 0 "[ . 1 . 2 .]" 1
158 1 10 CYS HB3 1 44 LEU MD1 0.000 . 6.500 3.788 2.280 4.727 . 0 0 "[ . 1 . 2 .]" 1
159 1 10 CYS HB3 1 44 LEU MD2 0.000 . 6.500 3.453 2.092 4.628 . 0 0 "[ . 1 . 2 .]" 1
160 1 11 GLY H 1 12 ALA H 0.000 . 3.500 2.599 2.557 2.647 . 0 0 "[ . 1 . 2 .]" 1
161 1 11 GLY H 1 12 ALA MB 0.000 . 5.000 3.983 3.944 4.040 . 0 0 "[ . 1 . 2 .]" 1
162 1 11 GLY QA 1 13 THR MG 0.000 . 7.500 5.309 4.425 5.584 . 0 0 "[ . 1 . 2 .]" 1
163 1 11 GLY HA2 1 12 ALA H 0.000 . 6.000 3.220 3.162 3.283 . 0 0 "[ . 1 . 2 .]" 1
164 1 11 GLY HA3 1 12 ALA H 0.000 . 6.000 3.332 3.268 3.376 . 0 0 "[ . 1 . 2 .]" 1
165 1 12 ALA H 1 13 THR H 0.000 . 5.000 4.461 4.367 4.558 . 0 0 "[ . 1 . 2 .]" 1
166 1 12 ALA HA 1 13 THR H 0.000 . 2.800 2.236 2.209 2.280 . 0 0 "[ . 1 . 2 .]" 1
167 1 12 ALA HA 1 14 ALA H 0.000 . 3.500 3.467 3.387 3.522 0.022 22 0 "[ . 1 . 2 .]" 1
168 1 12 ALA MB 1 13 THR H 0.000 . 4.300 3.448 3.303 3.551 . 0 0 "[ . 1 . 2 .]" 1
169 1 12 ALA MB 1 14 ALA H 0.000 . 5.000 3.334 3.054 3.780 . 0 0 "[ . 1 . 2 .]" 1
170 1 12 ALA MB 1 15 THR HB 0.000 . 6.500 2.855 2.161 3.283 . 0 0 "[ . 1 . 2 .]" 1
171 1 12 ALA MB 1 18 TRP HH2 0.000 . 5.000 4.084 3.976 4.159 . 0 0 "[ . 1 . 2 .]" 1
172 1 12 ALA MB 1 18 TRP HZ3 0.000 . 6.500 4.530 4.347 4.633 . 0 0 "[ . 1 . 2 .]" 1
173 1 13 THR H 1 14 ALA H 0.000 . 2.800 2.315 2.094 2.648 . 0 0 "[ . 1 . 2 .]" 1
174 1 13 THR MG 1 14 ALA H 0.000 . 5.000 4.012 3.201 4.212 . 0 0 "[ . 1 . 2 .]" 1
175 1 13 THR MG 1 18 TRP HH2 0.000 . 5.000 3.802 3.349 4.297 . 0 0 "[ . 1 . 2 .]" 1
176 1 14 ALA H 1 15 THR H 0.000 . 5.000 2.851 1.956 3.872 . 0 0 "[ . 1 . 2 .]" 1
177 1 14 ALA MB 1 15 THR H 0.000 . 5.000 3.571 3.129 3.735 . 0 0 "[ . 1 . 2 .]" 1
178 1 15 THR H 1 18 TRP HE1 0.000 . 5.000 4.200 3.664 4.881 . 0 0 "[ . 1 . 2 .]" 1
179 1 15 THR HA 1 16 PRO HD2 0.000 . 3.500 2.397 2.314 2.474 . 0 0 "[ . 1 . 2 .]" 1
180 1 15 THR HA 1 16 PRO HD3 0.000 . 3.500 2.221 2.129 2.369 . 0 0 "[ . 1 . 2 .]" 1
181 1 15 THR HA 1 16 PRO QG 0.000 . 5.500 3.963 3.908 4.022 . 0 0 "[ . 1 . 2 .]" 1
182 1 15 THR HB 1 28 CYS HB2 0.000 . 3.500 2.026 1.864 2.417 . 0 0 "[ . 1 . 2 .]" 1
183 1 15 THR HB 1 28 CYS HB3 0.000 . 3.500 3.284 2.958 3.503 0.003 20 0 "[ . 1 . 2 .]" 1
184 1 15 THR MG 1 17 LEU H 0.000 . 6.500 3.481 2.112 5.164 . 0 0 "[ . 1 . 2 .]" 1
185 1 15 THR MG 1 18 TRP HD1 0.000 . 6.500 3.385 2.799 3.848 . 0 0 "[ . 1 . 2 .]" 1
186 1 15 THR MG 1 18 TRP HE1 0.000 . 6.500 2.637 2.192 3.117 . 0 0 "[ . 1 . 2 .]" 1
187 1 15 THR MG 1 18 TRP HE3 0.000 . 6.500 3.682 3.396 3.909 . 0 0 "[ . 1 . 2 .]" 1
188 1 15 THR MG 1 18 TRP HH2 0.000 . 6.500 3.619 3.214 4.068 . 0 0 "[ . 1 . 2 .]" 1
189 1 15 THR MG 1 28 CYS HA 0.000 . 5.000 2.502 1.958 2.872 . 0 0 "[ . 1 . 2 .]" 1
190 1 15 THR MG 1 28 CYS HB2 0.000 . 6.500 3.235 2.359 3.814 . 0 0 "[ . 1 . 2 .]" 1
191 1 15 THR MG 1 28 CYS HB3 0.000 . 6.500 3.649 2.840 4.255 . 0 0 "[ . 1 . 2 .]" 1
192 1 16 PRO HA 1 16 PRO HB3 0.000 . 2.800 2.314 2.305 2.319 . 0 0 "[ . 1 . 2 .]" 1
193 1 16 PRO QB 1 17 LEU H 0.000 . 6.000 3.011 1.806 3.794 . 0 0 "[ . 1 . 2 .]" 1
194 1 16 PRO HB2 1 29 ASN QD 0.000 . 6.000 4.593 4.119 5.073 . 0 0 "[ . 1 . 2 .]" 1
195 1 16 PRO HB3 1 29 ASN QD 0.000 . 6.000 5.177 4.728 5.403 . 0 0 "[ . 1 . 2 .]" 1
196 1 16 PRO QD 1 29 ASN QB 0.000 . 7.000 3.051 2.660 3.499 . 0 0 "[ . 1 . 2 .]" 1
197 1 16 PRO QD 1 29 ASN QD 0.000 . 7.000 3.465 2.877 4.218 . 0 0 "[ . 1 . 2 .]" 1
198 1 16 PRO QG 1 29 ASN QD 0.000 . 7.000 2.644 2.182 3.063 . 0 0 "[ . 1 . 2 .]" 1
199 1 17 LEU H 1 17 LEU HG 0.000 . 5.000 4.485 4.283 4.706 . 0 0 "[ . 1 . 2 .]" 1
200 1 17 LEU HA 1 17 LEU HG 0.000 . 4.500 2.481 2.113 3.147 . 0 0 "[ . 1 . 2 .]" 1
201 1 17 LEU HA 1 18 TRP H 0.000 . 2.800 2.242 2.201 2.310 . 0 0 "[ . 1 . 2 .]" 1
202 1 17 LEU HA 1 18 TRP HB2 0.000 . 5.000 4.418 4.325 4.506 . 0 0 "[ . 1 . 2 .]" 1
203 1 17 LEU HA 1 18 TRP HD1 0.000 . 3.500 3.386 2.939 3.535 0.035 14 0 "[ . 1 . 2 .]" 1
204 1 17 LEU QB 1 18 TRP H 0.000 . 6.000 3.738 3.526 3.944 . 0 0 "[ . 1 . 2 .]" 1
205 1 17 LEU QD 1 19 ARG H 0.000 . 7.900 4.532 3.126 5.813 . 0 0 "[ . 1 . 2 .]" 1
206 1 17 LEU QD 1 29 ASN QD 0.000 . 8.900 4.784 3.809 5.668 . 0 0 "[ . 1 . 2 .]" 1
207 1 17 LEU MD1 1 18 TRP H 0.000 . 6.500 3.636 1.960 4.549 . 0 0 "[ . 1 . 2 .]" 1
208 1 17 LEU MD2 1 18 TRP H 0.000 . 6.500 3.950 3.134 4.535 . 0 0 "[ . 1 . 2 .]" 1
209 1 17 LEU HG 1 18 TRP H 0.000 . 3.500 2.629 2.135 3.177 . 0 0 "[ . 1 . 2 .]" 1
210 1 18 TRP H 1 18 TRP HB2 0.000 . 3.500 2.257 2.161 2.312 . 0 0 "[ . 1 . 2 .]" 1
211 1 18 TRP H 1 18 TRP HB3 0.000 . 3.500 3.536 3.497 3.581 0.081 22 0 "[ . 1 . 2 .]" 1
212 1 18 TRP H 1 18 TRP HE1 0.000 . 5.000 4.733 4.287 5.033 0.033 18 0 "[ . 1 . 2 .]" 1
213 1 18 TRP HA 1 18 TRP HD1 0.000 . 5.000 3.935 3.752 4.102 . 0 0 "[ . 1 . 2 .]" 1
214 1 18 TRP HA 1 18 TRP HE3 0.000 . 3.500 3.313 3.065 3.538 0.038 2 0 "[ . 1 . 2 .]" 1
215 1 18 TRP HB2 1 26 TYR CG 0.000 . 5.500 4.990 4.622 5.203 . 0 0 "[ . 1 . 2 .]" 1
216 1 18 TRP HB2 1 26 TYR CZ 0.000 . 5.500 5.265 4.798 5.514 0.014 10 0 "[ . 1 . 2 .]" 1
217 1 18 TRP HB3 1 18 TRP HE3 0.000 . 2.800 2.607 2.539 2.687 . 0 0 "[ . 1 . 2 .]" 1
218 1 18 TRP HB3 1 26 TYR CG 0.000 . 4.800 3.660 3.284 3.886 . 0 0 "[ . 1 . 2 .]" 1
219 1 18 TRP HB3 1 26 TYR CZ 0.000 . 5.500 4.745 4.370 5.154 . 0 0 "[ . 1 . 2 .]" 1
220 1 18 TRP HE3 1 26 TYR CZ 0.000 . 7.000 5.883 5.648 6.109 . 0 0 "[ . 1 . 2 .]" 1
221 1 18 TRP HE3 1 26 TYR H 0.000 . 5.000 4.824 4.658 4.913 . 0 0 "[ . 1 . 2 .]" 1
222 1 18 TRP HE3 1 26 TYR HB2 0.000 . 3.500 3.537 3.508 3.558 0.058 22 0 "[ . 1 . 2 .]" 1
223 1 18 TRP HE3 1 26 TYR HB3 0.000 . 2.800 1.857 1.809 1.918 . 0 0 "[ . 1 . 2 .]" 1
224 1 18 TRP HE3 1 27 LEU H 0.000 . 5.000 4.286 3.837 4.552 . 0 0 "[ . 1 . 2 .]" 1
225 1 18 TRP HE3 1 27 LEU HA 0.000 . 5.000 4.586 4.153 4.835 . 0 0 "[ . 1 . 2 .]" 1
226 1 18 TRP HE3 1 28 CYS HA 0.000 . 5.000 4.007 3.810 4.205 . 0 0 "[ . 1 . 2 .]" 1
227 1 18 TRP HZ3 1 28 CYS H 0.000 . 5.000 4.995 4.780 5.041 0.041 6 0 "[ . 1 . 2 .]" 1
228 1 19 ARG H 1 19 ARG HD2 0.000 . 5.000 4.762 4.198 5.004 0.004 13 0 "[ . 1 . 2 .]" 1
229 1 19 ARG H 1 19 ARG HD3 0.000 . 5.000 4.658 3.664 5.012 0.012 17 0 "[ . 1 . 2 .]" 1
230 1 19 ARG H 1 20 ARG H 0.000 . 5.000 4.074 3.861 4.384 . 0 0 "[ . 1 . 2 .]" 1
231 1 19 ARG HA 1 20 ARG H 0.000 . 3.500 2.229 2.213 2.311 . 0 0 "[ . 1 . 2 .]" 1
232 1 19 ARG HD2 1 20 ARG H 0.000 . 5.000 3.198 2.180 4.769 . 0 0 "[ . 1 . 2 .]" 1
233 1 19 ARG HD3 1 20 ARG H 0.000 . 5.000 3.783 2.311 4.880 . 0 0 "[ . 1 . 2 .]" 1
234 1 20 ARG H 1 20 ARG HB2 0.000 . 3.500 2.482 2.228 2.619 . 0 0 "[ . 1 . 2 .]" 1
235 1 20 ARG H 1 20 ARG HB3 0.000 . 3.500 3.566 3.539 3.578 0.078 23 0 "[ . 1 . 2 .]" 1
236 1 20 ARG HA 1 21 ASP H 0.000 . 3.500 2.449 2.382 2.595 . 0 0 "[ . 1 . 2 .]" 1
237 1 20 ARG HA 1 26 TYR HA 0.000 . 3.500 3.074 2.648 3.345 . 0 0 "[ . 1 . 2 .]" 1
238 1 20 ARG QB 1 24 GLY QA 0.000 . 7.000 2.025 1.823 2.626 . 0 0 "[ . 1 . 2 .]" 1
239 1 20 ARG HB2 1 20 ARG HE 0.000 . 5.000 2.830 1.881 3.805 . 0 0 "[ . 1 . 2 .]" 1
240 1 20 ARG HB2 1 21 ASP H 0.000 . 3.500 3.531 3.503 3.555 0.055 11 0 "[ . 1 . 2 .]" 1
241 1 20 ARG HB2 1 26 TYR CG 0.000 . 7.000 6.214 5.837 6.526 . 0 0 "[ . 1 . 2 .]" 1
242 1 20 ARG HB2 1 26 TYR CZ 0.000 . 5.500 5.479 5.311 5.540 0.040 14 0 "[ . 1 . 2 .]" 1
243 1 20 ARG HB3 1 20 ARG HE 0.000 . 5.000 2.746 2.069 3.528 . 0 0 "[ . 1 . 2 .]" 1
244 1 20 ARG HB3 1 21 ASP H 0.000 . 3.500 2.611 2.202 2.812 . 0 0 "[ . 1 . 2 .]" 1
245 1 20 ARG HB3 1 26 TYR CG 0.000 . 7.000 5.391 5.011 6.112 . 0 0 "[ . 1 . 2 .]" 1
246 1 20 ARG HB3 1 26 TYR CZ 0.000 . 7.000 5.104 4.758 5.625 . 0 0 "[ . 1 . 2 .]" 1
247 1 20 ARG HE 1 24 GLY HA2 0.000 . 5.000 3.279 2.224 4.264 . 0 0 "[ . 1 . 2 .]" 1
248 1 20 ARG HE 1 24 GLY HA3 0.000 . 5.000 4.054 2.653 4.836 . 0 0 "[ . 1 . 2 .]" 1
249 1 20 ARG QG 1 21 ASP H 0.000 . 6.000 4.090 3.540 4.264 . 0 0 "[ . 1 . 2 .]" 1
250 1 20 ARG QG 1 26 TYR CG 0.000 . 8.000 3.252 2.897 3.610 . 0 0 "[ . 1 . 2 .]" 1
251 1 20 ARG QG 1 26 TYR CZ 0.000 . 6.500 2.756 2.515 2.996 . 0 0 "[ . 1 . 2 .]" 1
252 1 21 ASP H 1 21 ASP HB2 0.000 . 3.500 3.627 3.584 3.666 0.166 12 0 "[ . 1 . 2 .]" 1
253 1 21 ASP H 1 21 ASP HB3 0.000 . 3.500 3.196 2.846 3.355 . 0 0 "[ . 1 . 2 .]" 1
254 1 21 ASP H 1 22 ARG H 0.000 . 5.000 4.267 3.969 4.356 . 0 0 "[ . 1 . 2 .]" 1
255 1 21 ASP H 1 23 THR H 0.000 . 5.000 3.875 3.577 4.168 . 0 0 "[ . 1 . 2 .]" 1
256 1 21 ASP H 1 24 GLY H 0.000 . 5.000 2.938 2.420 3.320 . 0 0 "[ . 1 . 2 .]" 1
257 1 21 ASP H 1 24 GLY HA2 0.000 . 5.000 3.079 2.684 3.497 . 0 0 "[ . 1 . 2 .]" 1
258 1 21 ASP H 1 24 GLY HA3 0.000 . 5.000 4.523 4.150 4.969 . 0 0 "[ . 1 . 2 .]" 1
259 1 21 ASP H 1 25 HIS H 0.000 . 5.000 2.497 1.914 3.057 . 0 0 "[ . 1 . 2 .]" 1
260 1 21 ASP H 1 27 LEU QD 0.000 . 7.900 5.072 4.537 5.641 . 0 0 "[ . 1 . 2 .]" 1
261 1 21 ASP HA 1 22 ARG H 0.000 . 3.500 2.852 2.749 3.135 . 0 0 "[ . 1 . 2 .]" 1
262 1 21 ASP QB 1 27 LEU QD 0.000 . 8.900 3.880 3.216 4.477 . 0 0 "[ . 1 . 2 .]" 1
263 1 21 ASP HB2 1 22 ARG H 0.000 . 3.500 1.857 1.803 1.946 . 0 0 "[ . 1 . 2 .]" 1
264 1 21 ASP HB3 1 22 ARG H 0.000 . 3.500 3.379 3.306 3.445 . 0 0 "[ . 1 . 2 .]" 1
265 1 22 ARG H 1 22 ARG HA 0.000 . 2.800 2.820 2.788 2.914 0.114 15 0 "[ . 1 . 2 .]" 1
266 1 22 ARG H 1 22 ARG QD 0.000 . 6.000 2.904 2.395 3.889 . 0 0 "[ . 1 . 2 .]" 1
267 1 22 ARG H 1 22 ARG QG 0.000 . 4.500 3.454 1.881 3.770 . 0 0 "[ . 1 . 2 .]" 1
268 1 22 ARG H 1 23 THR H 0.000 . 3.500 2.759 2.413 2.856 . 0 0 "[ . 1 . 2 .]" 1
269 1 22 ARG H 1 23 THR MG 0.000 . 6.500 3.925 3.677 4.277 . 0 0 "[ . 1 . 2 .]" 1
270 1 22 ARG H 1 24 GLY H 0.000 . 5.000 4.132 3.834 4.507 . 0 0 "[ . 1 . 2 .]" 1
271 1 22 ARG HA 1 22 ARG QD 0.000 . 4.500 3.020 2.145 3.929 . 0 0 "[ . 1 . 2 .]" 1
272 1 22 ARG HA 1 23 THR H 0.000 . 5.000 3.531 3.443 3.569 . 0 0 "[ . 1 . 2 .]" 1
273 1 22 ARG HA 1 24 GLY H 0.000 . 5.000 3.913 3.604 5.005 0.005 7 0 "[ . 1 . 2 .]" 1
274 1 22 ARG QB 1 23 THR H 0.000 . 6.000 2.793 2.630 3.050 . 0 0 "[ . 1 . 2 .]" 1
275 1 22 ARG QB 1 23 THR HA 0.000 . 4.500 3.894 3.872 3.942 . 0 0 "[ . 1 . 2 .]" 1
276 1 22 ARG QB 1 23 THR MG 0.000 . 6.000 2.701 2.560 2.811 . 0 0 "[ . 1 . 2 .]" 1
277 1 22 ARG QD 1 23 THR MG 0.000 . 7.500 4.873 4.379 5.293 . 0 0 "[ . 1 . 2 .]" 1
278 1 22 ARG QG 1 23 THR H 0.000 . 6.000 4.414 3.535 4.573 . 0 0 "[ . 1 . 2 .]" 1
279 1 22 ARG QG 1 23 THR HA 0.000 . 6.000 5.255 5.074 5.505 . 0 0 "[ . 1 . 2 .]" 1
280 1 22 ARG QG 1 23 THR MG 0.000 . 6.000 4.316 3.914 4.410 . 0 0 "[ . 1 . 2 .]" 1
281 1 23 THR H 1 24 GLY H 0.000 . 2.800 2.530 2.340 2.778 . 0 0 "[ . 1 . 2 .]" 1
282 1 23 THR H 1 24 GLY QA 0.000 . 5.000 4.399 4.305 4.491 . 0 0 "[ . 1 . 2 .]" 1
283 1 23 THR H 1 25 HIS H 0.000 . 5.000 3.670 3.457 4.105 . 0 0 "[ . 1 . 2 .]" 1
284 1 23 THR HA 1 24 GLY H 0.000 . 5.000 3.303 3.099 3.585 . 0 0 "[ . 1 . 2 .]" 1
285 1 23 THR HB 1 24 GLY H 0.000 . 5.000 4.293 3.560 4.484 . 0 0 "[ . 1 . 2 .]" 1
286 1 23 THR HB 1 25 HIS HE1 0.000 . 5.000 2.704 2.301 3.509 . 0 0 "[ . 1 . 2 .]" 1
287 1 23 THR MG 1 24 GLY H 0.000 . 6.500 3.990 3.653 4.223 . 0 0 "[ . 1 . 2 .]" 1
288 1 23 THR MG 1 25 HIS HE1 0.000 . 5.000 3.774 2.889 4.144 . 0 0 "[ . 1 . 2 .]" 1
289 1 24 GLY H 1 24 GLY HA2 0.000 . 2.800 2.365 2.338 2.536 . 0 0 "[ . 1 . 2 .]" 1
290 1 24 GLY H 1 24 GLY HA3 0.000 . 2.800 2.855 2.776 2.968 0.168 19 0 "[ . 1 . 2 .]" 1
291 1 24 GLY H 1 25 HIS H 0.000 . 3.500 2.621 1.860 3.084 . 0 0 "[ . 1 . 2 .]" 1
292 1 24 GLY HA2 1 25 HIS H 0.000 . 5.000 3.017 2.660 3.180 . 0 0 "[ . 1 . 2 .]" 1
293 1 24 GLY HA3 1 25 HIS H 0.000 . 5.000 3.498 3.412 3.588 . 0 0 "[ . 1 . 2 .]" 1
294 1 25 HIS H 1 25 HIS HB2 0.000 . 3.500 2.211 2.061 2.485 . 0 0 "[ . 1 . 2 .]" 1
295 1 25 HIS H 1 26 TYR H 0.000 . 5.000 4.515 4.337 4.625 . 0 0 "[ . 1 . 2 .]" 1
296 1 25 HIS HA 1 25 HIS HD2 0.000 . 5.000 3.535 2.061 4.844 . 0 0 "[ . 1 . 2 .]" 1
297 1 25 HIS HA 1 26 TYR CG 0.000 . 7.000 4.720 4.621 4.846 . 0 0 "[ . 1 . 2 .]" 1
298 1 25 HIS HA 1 26 TYR H 0.000 . 2.800 2.719 2.515 2.845 0.045 20 0 "[ . 1 . 2 .]" 1
299 1 25 HIS HB2 1 26 TYR H 0.000 . 3.500 3.398 3.161 3.531 0.031 21 0 "[ . 1 . 2 .]" 1
300 1 25 HIS HB3 1 26 TYR H 0.000 . 3.500 2.073 1.847 2.535 . 0 0 "[ . 1 . 2 .]" 1
301 1 26 TYR CG 1 27 LEU H 0.000 . 7.000 4.959 4.901 5.009 . 0 0 "[ . 1 . 2 .]" 1
302 1 26 TYR CZ 1 26 TYR H 0.000 . 7.000 6.177 6.032 6.310 . 0 0 "[ . 1 . 2 .]" 1
303 1 26 TYR H 1 26 TYR HB2 0.000 . 2.800 2.449 2.299 2.578 . 0 0 "[ . 1 . 2 .]" 1
304 1 26 TYR H 1 26 TYR HB3 0.000 . 3.500 3.594 3.516 3.644 0.144 11 0 "[ . 1 . 2 .]" 1
305 1 26 TYR H 1 27 LEU H 0.000 . 3.500 3.249 2.990 3.442 . 0 0 "[ . 1 . 2 .]" 1
306 1 26 TYR H 1 27 LEU QD 0.000 . 7.900 3.773 3.271 4.476 . 0 0 "[ . 1 . 2 .]" 1
307 1 26 TYR HA 1 26 TYR HB3 0.000 . 2.800 2.675 2.644 2.692 . 0 0 "[ . 1 . 2 .]" 1
308 1 26 TYR HA 1 27 LEU H 0.000 . 5.000 2.598 2.486 2.743 . 0 0 "[ . 1 . 2 .]" 1
309 1 26 TYR HB2 1 27 LEU H 0.000 . 5.000 4.516 4.404 4.575 . 0 0 "[ . 1 . 2 .]" 1
310 1 26 TYR HB3 1 27 LEU H 0.000 . 5.000 4.325 4.258 4.370 . 0 0 "[ . 1 . 2 .]" 1
311 1 27 LEU H 1 27 LEU HG 0.000 . 5.000 3.571 2.150 4.320 . 0 0 "[ . 1 . 2 .]" 1
312 1 27 LEU HA 1 27 LEU HG 0.000 . 3.500 2.466 2.239 2.896 . 0 0 "[ . 1 . 2 .]" 1
313 1 27 LEU HA 1 28 CYS H 0.000 . 3.500 2.511 2.418 2.623 . 0 0 "[ . 1 . 2 .]" 1
314 1 27 LEU HB2 1 28 CYS H 0.000 . 5.000 3.921 3.773 4.094 . 0 0 "[ . 1 . 2 .]" 1
315 1 27 LEU HB2 1 31 CYS QB 0.000 . 4.500 4.048 3.945 4.110 . 0 0 "[ . 1 . 2 .]" 1
316 1 27 LEU HB2 1 32 GLY HA2 0.000 . 5.000 4.524 3.837 5.024 0.024 13 0 "[ . 1 . 2 .]" 1
317 1 27 LEU HB2 1 32 GLY HA3 0.000 . 5.000 4.067 3.093 4.621 . 0 0 "[ . 1 . 2 .]" 1
318 1 27 LEU HB3 1 28 CYS H 0.000 . 5.000 2.608 2.459 2.826 . 0 0 "[ . 1 . 2 .]" 1
319 1 27 LEU HB3 1 31 CYS QB 0.000 . 4.500 2.776 2.326 3.114 . 0 0 "[ . 1 . 2 .]" 1
320 1 27 LEU HB3 1 32 GLY HA2 0.000 . 5.000 4.180 3.512 4.803 . 0 0 "[ . 1 . 2 .]" 1
321 1 27 LEU HB3 1 32 GLY HA3 0.000 . 5.000 3.633 3.099 4.145 . 0 0 "[ . 1 . 2 .]" 1
322 1 27 LEU QD 1 31 CYS HA 0.000 . 7.900 3.582 3.306 3.920 . 0 0 "[ . 1 . 2 .]" 1
323 1 27 LEU QD 1 32 GLY HA3 0.000 . 7.900 2.401 2.140 2.601 . 0 0 "[ . 1 . 2 .]" 1
324 1 27 LEU MD1 1 28 CYS H 0.000 . 6.500 4.147 3.744 4.810 . 0 0 "[ . 1 . 2 .]" 1
325 1 27 LEU MD1 1 31 CYS H 0.000 . 6.500 5.308 4.458 5.515 . 0 0 "[ . 1 . 2 .]" 1
326 1 27 LEU MD1 1 31 CYS HB2 0.000 . 5.000 3.709 3.136 4.120 . 0 0 "[ . 1 . 2 .]" 1
327 1 27 LEU MD1 1 31 CYS HB3 0.000 . 5.000 3.357 2.760 3.956 . 0 0 "[ . 1 . 2 .]" 1
328 1 27 LEU MD1 1 32 GLY HA2 0.000 . 6.500 3.718 1.831 4.744 . 0 0 "[ . 1 . 2 .]" 1
329 1 27 LEU MD2 1 28 CYS H 0.000 . 6.500 3.590 2.741 4.002 . 0 0 "[ . 1 . 2 .]" 1
330 1 27 LEU MD2 1 31 CYS H 0.000 . 6.500 3.905 3.623 4.268 . 0 0 "[ . 1 . 2 .]" 1
331 1 27 LEU MD2 1 31 CYS HB2 0.000 . 5.000 2.441 1.873 2.808 . 0 0 "[ . 1 . 2 .]" 1
332 1 27 LEU MD2 1 31 CYS HB3 0.000 . 5.000 1.995 1.734 2.340 . 0 0 "[ . 1 . 2 .]" 1
333 1 27 LEU MD2 1 32 GLY HA2 0.000 . 6.500 2.531 1.932 4.037 . 0 0 "[ . 1 . 2 .]" 1
334 1 27 LEU HG 1 28 CYS H 0.000 . 5.000 3.402 2.583 4.776 . 0 0 "[ . 1 . 2 .]" 1
335 1 27 LEU HG 1 31 CYS QB 0.000 . 4.500 2.555 1.753 4.107 . 0 0 "[ . 1 . 2 .]" 1
336 1 27 LEU HG 1 32 GLY HA2 0.000 . 5.000 4.713 4.429 4.918 . 0 0 "[ . 1 . 2 .]" 1
337 1 27 LEU HG 1 32 GLY HA3 0.000 . 5.000 4.979 4.878 5.062 0.062 7 0 "[ . 1 . 2 .]" 1
338 1 28 CYS H 1 28 CYS HB3 0.000 . 3.500 2.686 2.611 2.761 . 0 0 "[ . 1 . 2 .]" 1
339 1 28 CYS H 1 31 CYS QB 0.000 . 6.000 2.488 2.358 2.685 . 0 0 "[ . 1 . 2 .]" 1
340 1 28 CYS QB 1 29 ASN H 0.000 . 6.000 3.851 3.341 4.086 . 0 0 "[ . 1 . 2 .]" 1
341 1 28 CYS QB 1 30 ALA H 0.000 . 6.000 4.139 3.774 4.926 . 0 0 "[ . 1 . 2 .]" 1
342 1 29 ASN HB2 1 30 ALA H 0.000 . 5.000 3.181 2.692 3.710 . 0 0 "[ . 1 . 2 .]" 1
343 1 29 ASN HB3 1 30 ALA H 0.000 . 5.000 2.088 1.854 2.330 . 0 0 "[ . 1 . 2 .]" 1
344 1 29 ASN QD 1 30 ALA HA 0.000 . 6.000 5.180 4.750 5.398 . 0 0 "[ . 1 . 2 .]" 1
345 1 30 ALA H 1 31 CYS H 0.000 . 3.500 2.769 2.498 2.996 . 0 0 "[ . 1 . 2 .]" 1
346 1 30 ALA H 1 33 LEU QD 0.000 . 7.900 5.115 4.673 5.490 . 0 0 "[ . 1 . 2 .]" 1
347 1 30 ALA HA 1 31 CYS H 0.000 . 3.500 3.537 3.373 3.581 0.081 22 0 "[ . 1 . 2 .]" 1
348 1 30 ALA HA 1 33 LEU QB 0.000 . 4.500 2.734 2.192 3.269 . 0 0 "[ . 1 . 2 .]" 1
349 1 30 ALA MB 1 31 CYS H 0.000 . 5.000 2.600 2.171 3.211 . 0 0 "[ . 1 . 2 .]" 1
350 1 31 CYS H 1 31 CYS HB2 0.000 . 3.500 2.203 2.100 2.348 . 0 0 "[ . 1 . 2 .]" 1
351 1 31 CYS H 1 31 CYS HB3 0.000 . 3.500 3.499 3.463 3.524 0.024 16 0 "[ . 1 . 2 .]" 1
352 1 31 CYS H 1 32 GLY H 0.000 . 3.500 2.580 2.442 2.836 . 0 0 "[ . 1 . 2 .]" 1
353 1 31 CYS H 1 32 GLY QA 0.000 . 6.000 4.515 4.392 4.731 . 0 0 "[ . 1 . 2 .]" 1
354 1 31 CYS HA 1 31 CYS HB2 0.000 . 2.800 2.995 2.977 3.007 0.207 16 0 "[ . 1 . 2 .]" 1
355 1 31 CYS HA 1 31 CYS HB3 0.000 . 2.800 2.571 2.493 2.632 . 0 0 "[ . 1 . 2 .]" 1
356 1 31 CYS HA 1 32 GLY QA 0.000 . 6.000 4.431 4.360 4.512 . 0 0 "[ . 1 . 2 .]" 1
357 1 31 CYS HA 1 34 TYR CG 0.000 . 7.000 6.808 6.416 7.023 0.023 23 0 "[ . 1 . 2 .]" 1
358 1 31 CYS HA 1 34 TYR H 0.000 . 5.000 4.417 4.096 4.689 . 0 0 "[ . 1 . 2 .]" 1
359 1 31 CYS HA 1 34 TYR QB 0.000 . 6.000 4.519 4.216 4.734 . 0 0 "[ . 1 . 2 .]" 1
360 1 31 CYS HA 1 42 ARG HB2 0.000 . 6.000 4.044 3.077 5.169 . 0 0 "[ . 1 . 2 .]" 1
361 1 31 CYS HA 1 42 ARG HB3 0.000 . 6.000 4.003 2.828 5.776 . 0 0 "[ . 1 . 2 .]" 1
362 1 31 CYS HA 1 42 ARG QD 0.000 . 6.000 2.769 1.794 4.508 . 0 0 "[ . 1 . 2 .]" 1
363 1 31 CYS HA 1 42 ARG HE 0.000 . 3.500 3.021 2.374 3.415 . 0 0 "[ . 1 . 2 .]" 1
364 1 31 CYS HA 1 42 ARG HG2 0.000 . 6.000 3.963 2.085 5.296 . 0 0 "[ . 1 . 2 .]" 1
365 1 31 CYS HA 1 42 ARG HG3 0.000 . 6.000 4.358 1.983 5.601 . 0 0 "[ . 1 . 2 .]" 1
366 1 31 CYS QB 1 32 GLY QA 0.000 . 7.000 3.692 3.588 3.774 . 0 0 "[ . 1 . 2 .]" 1
367 1 32 GLY H 1 33 LEU H 0.000 . 5.000 2.412 2.142 2.714 . 0 0 "[ . 1 . 2 .]" 1
368 1 32 GLY QA 1 33 LEU HA 0.000 . 6.000 4.210 4.159 4.239 . 0 0 "[ . 1 . 2 .]" 1
369 1 32 GLY QA 1 35 HIS HA 0.000 . 6.000 5.110 4.804 5.260 . 0 0 "[ . 1 . 2 .]" 1
370 1 32 GLY QA 1 35 HIS QB 0.000 . 7.000 2.674 2.419 2.896 . 0 0 "[ . 1 . 2 .]" 1
371 1 32 GLY HA2 1 33 LEU H 0.000 . 5.000 3.457 3.338 3.500 . 0 0 "[ . 1 . 2 .]" 1
372 1 32 GLY HA2 1 35 HIS H 0.000 . 5.000 3.196 2.932 3.395 . 0 0 "[ . 1 . 2 .]" 1
373 1 32 GLY HA3 1 33 LEU H 0.000 . 5.000 3.087 3.019 3.264 . 0 0 "[ . 1 . 2 .]" 1
374 1 32 GLY HA3 1 35 HIS H 0.000 . 5.000 4.408 4.117 4.706 . 0 0 "[ . 1 . 2 .]" 1
375 1 33 LEU H 1 36 LYS H 0.000 . 5.000 4.839 4.597 5.002 0.002 16 0 "[ . 1 . 2 .]" 1
376 1 33 LEU HA 1 33 LEU HB2 0.000 . 2.800 2.761 2.527 2.835 0.035 15 0 "[ . 1 . 2 .]" 1
377 1 33 LEU HA 1 33 LEU HB3 0.000 . 2.800 2.915 2.867 3.003 0.203 9 0 "[ . 1 . 2 .]" 1
378 1 33 LEU HA 1 33 LEU HG 0.000 . 3.500 2.573 2.087 3.545 0.045 24 0 "[ . 1 . 2 .]" 1
379 1 33 LEU HA 1 34 TYR H 0.000 . 5.000 3.578 3.557 3.594 . 0 0 "[ . 1 . 2 .]" 1
380 1 33 LEU HA 1 34 TYR QB 0.000 . 6.000 5.141 5.129 5.157 . 0 0 "[ . 1 . 2 .]" 1
381 1 33 LEU HA 1 36 LYS QB 0.000 . 4.500 2.862 2.289 3.915 . 0 0 "[ . 1 . 2 .]" 1
382 1 33 LEU HB2 1 34 TYR H 0.000 . 3.500 3.187 2.919 3.506 0.006 9 0 "[ . 1 . 2 .]" 1
383 1 33 LEU HB3 1 34 TYR H 0.000 . 3.500 2.448 2.038 2.758 . 0 0 "[ . 1 . 2 .]" 1
384 1 33 LEU QD 1 34 TYR CZ 0.000 . 9.900 7.132 6.788 7.297 . 0 0 "[ . 1 . 2 .]" 1
385 1 33 LEU QD 1 34 TYR H 0.000 . 7.900 3.542 2.523 3.823 . 0 0 "[ . 1 . 2 .]" 1
386 1 33 LEU QD 1 35 HIS H 0.000 . 7.900 4.953 4.470 5.268 . 0 0 "[ . 1 . 2 .]" 1
387 1 33 LEU QD 1 36 LYS H 0.000 . 6.400 4.097 3.747 4.365 . 0 0 "[ . 1 . 2 .]" 1
388 1 33 LEU QD 1 37 MET H 0.000 . 7.900 3.727 3.062 4.368 . 0 0 "[ . 1 . 2 .]" 1
389 1 33 LEU HG 1 34 TYR H 0.000 . 5.000 4.858 4.317 5.021 0.021 16 0 "[ . 1 . 2 .]" 1
390 1 34 TYR CG 1 35 HIS H 0.000 . 5.500 4.145 3.466 4.442 . 0 0 "[ . 1 . 2 .]" 1
391 1 34 TYR CG 1 35 HIS HA 0.000 . 5.500 5.023 4.167 5.164 . 0 0 "[ . 1 . 2 .]" 1
392 1 34 TYR CG 1 38 ASN HB2 0.000 . 7.000 3.369 2.705 4.386 . 0 0 "[ . 1 . 2 .]" 1
393 1 34 TYR CG 1 38 ASN HB3 0.000 . 7.000 4.446 3.607 5.970 . 0 0 "[ . 1 . 2 .]" 1
394 1 34 TYR CG 1 42 ARG H 0.000 . 7.000 5.367 4.142 6.438 . 0 0 "[ . 1 . 2 .]" 1
395 1 34 TYR CG 1 42 ARG HB2 0.000 . 7.000 4.521 2.861 5.949 . 0 0 "[ . 1 . 2 .]" 1
396 1 34 TYR CG 1 42 ARG HB3 0.000 . 7.000 5.560 4.539 6.471 . 0 0 "[ . 1 . 2 .]" 1
397 1 34 TYR CG 1 42 ARG HD2 0.000 . 7.000 4.268 3.374 5.867 . 0 0 "[ . 1 . 2 .]" 1
398 1 34 TYR CG 1 42 ARG HD3 0.000 . 7.000 4.474 2.833 6.048 . 0 0 "[ . 1 . 2 .]" 1
399 1 34 TYR CG 1 42 ARG HG2 0.000 . 7.000 4.801 2.711 6.410 . 0 0 "[ . 1 . 2 .]" 1
400 1 34 TYR CG 1 42 ARG HG3 0.000 . 7.000 4.174 2.587 5.776 . 0 0 "[ . 1 . 2 .]" 1
401 1 34 TYR CG 1 43 PRO QD 0.000 . 8.000 4.393 3.533 4.903 . 0 0 "[ . 1 . 2 .]" 1
402 1 34 TYR CZ 1 34 TYR H 0.000 . 7.000 6.602 6.518 6.734 . 0 0 "[ . 1 . 2 .]" 1
403 1 34 TYR CZ 1 35 HIS H 0.000 . 7.000 6.704 5.552 6.996 . 0 0 "[ . 1 . 2 .]" 1
404 1 34 TYR CZ 1 35 HIS HA 0.000 . 7.000 6.704 4.777 7.006 0.006 14 0 "[ . 1 . 2 .]" 1
405 1 34 TYR CZ 1 38 ASN HB2 0.000 . 7.000 3.657 3.191 4.044 . 0 0 "[ . 1 . 2 .]" 1
406 1 34 TYR CZ 1 38 ASN HB3 0.000 . 7.000 3.738 3.155 4.539 . 0 0 "[ . 1 . 2 .]" 1
407 1 34 TYR CZ 1 40 GLN HB2 0.000 . 4.800 4.021 3.622 4.259 . 0 0 "[ . 1 . 2 .]" 1
408 1 34 TYR CZ 1 40 GLN HB3 0.000 . 5.500 5.118 4.431 5.491 . 0 0 "[ . 1 . 2 .]" 1
409 1 34 TYR CZ 1 40 GLN QG 0.000 . 6.500 5.437 5.034 5.856 . 0 0 "[ . 1 . 2 .]" 1
410 1 34 TYR CZ 1 42 ARG QB 0.000 . 8.000 6.000 4.851 7.123 . 0 0 "[ . 1 . 2 .]" 1
411 1 34 TYR CZ 1 42 ARG QD 0.000 . 8.000 5.546 4.391 7.091 . 0 0 "[ . 1 . 2 .]" 1
412 1 34 TYR CZ 1 42 ARG QG 0.000 . 8.000 5.282 3.755 6.932 . 0 0 "[ . 1 . 2 .]" 1
413 1 34 TYR CZ 1 43 PRO HD2 0.000 . 5.500 5.246 4.552 5.521 0.021 7 0 "[ . 1 . 2 .]" 1
414 1 34 TYR CZ 1 43 PRO HD3 0.000 . 5.500 4.730 3.868 5.520 0.020 24 0 "[ . 1 . 2 .]" 1
415 1 34 TYR H 1 34 TYR HB2 0.000 . 3.500 2.143 2.051 2.613 . 0 0 "[ . 1 . 2 .]" 1
416 1 34 TYR H 1 34 TYR HB3 0.000 . 3.500 2.776 2.276 2.904 . 0 0 "[ . 1 . 2 .]" 1
417 1 34 TYR H 1 35 HIS H 0.000 . 3.500 2.836 2.537 2.964 . 0 0 "[ . 1 . 2 .]" 1
418 1 34 TYR H 1 36 LYS H 0.000 . 5.000 4.041 3.822 4.473 . 0 0 "[ . 1 . 2 .]" 1
419 1 34 TYR H 1 42 ARG HD2 0.000 . 5.000 4.070 2.702 5.016 0.016 25 0 "[ . 1 . 2 .]" 1
420 1 34 TYR H 1 42 ARG HD3 0.000 . 5.000 3.734 2.688 4.960 . 0 0 "[ . 1 . 2 .]" 1
421 1 34 TYR HA 1 35 HIS H 0.000 . 5.000 3.572 3.491 3.591 . 0 0 "[ . 1 . 2 .]" 1
422 1 34 TYR HA 1 38 ASN QD 0.000 . 6.000 3.940 2.662 5.193 . 0 0 "[ . 1 . 2 .]" 1
423 1 34 TYR QB 1 35 HIS H 0.000 . 4.500 2.395 2.168 2.848 . 0 0 "[ . 1 . 2 .]" 1
424 1 34 TYR QB 1 35 HIS HA 0.000 . 6.000 3.960 3.851 4.351 . 0 0 "[ . 1 . 2 .]" 1
425 1 34 TYR QB 1 36 LYS H 0.000 . 6.000 4.426 4.230 4.964 . 0 0 "[ . 1 . 2 .]" 1
426 1 34 TYR QB 1 38 ASN QD 0.000 . 7.000 4.908 3.828 5.610 . 0 0 "[ . 1 . 2 .]" 1
427 1 34 TYR QB 1 42 ARG QB 0.000 . 5.500 2.905 1.773 4.104 . 0 0 "[ . 1 . 2 .]" 1
428 1 34 TYR QB 1 42 ARG QG 0.000 . 5.500 2.767 1.706 3.905 . 0 0 "[ . 1 . 2 .]" 1
429 1 35 HIS H 1 35 HIS HA 0.000 . 2.800 2.856 2.804 2.906 0.106 18 0 "[ . 1 . 2 .]" 1
430 1 35 HIS H 1 35 HIS HB2 0.000 . 3.500 2.203 2.053 2.394 . 0 0 "[ . 1 . 2 .]" 1
431 1 35 HIS H 1 35 HIS HB3 0.000 . 3.500 2.692 2.482 2.881 . 0 0 "[ . 1 . 2 .]" 1
432 1 35 HIS H 1 35 HIS HD2 0.000 . 5.000 4.668 4.351 4.984 . 0 0 "[ . 1 . 2 .]" 1
433 1 35 HIS H 1 41 ASN HA 0.000 . 5.000 4.590 3.929 5.002 0.002 1 0 "[ . 1 . 2 .]" 1
434 1 35 HIS HA 1 35 HIS HD2 0.000 . 3.500 2.840 2.359 3.361 . 0 0 "[ . 1 . 2 .]" 1
435 1 35 HIS HA 1 36 LYS H 0.000 . 3.500 3.495 3.433 3.554 0.054 6 0 "[ . 1 . 2 .]" 1
436 1 35 HIS HA 1 39 GLY H 0.000 . 3.500 2.634 2.241 3.052 . 0 0 "[ . 1 . 2 .]" 1
437 1 35 HIS HA 1 40 GLN H 0.000 . 5.000 3.493 2.915 4.214 . 0 0 "[ . 1 . 2 .]" 1
438 1 35 HIS QB 1 36 LYS H 0.000 . 6.000 2.831 2.461 3.064 . 0 0 "[ . 1 . 2 .]" 1
439 1 35 HIS HD2 1 40 GLN HA 0.000 . 3.500 3.447 3.282 3.528 0.028 11 0 "[ . 1 . 2 .]" 1
440 1 35 HIS HD2 1 41 ASN HA 0.000 . 5.000 3.167 2.656 3.634 . 0 0 "[ . 1 . 2 .]" 1
441 1 36 LYS H 1 36 LYS QD 0.000 . 4.500 3.971 3.625 4.092 . 0 0 "[ . 1 . 2 .]" 1
442 1 36 LYS H 1 36 LYS QE 0.000 . 6.000 4.546 3.856 4.956 . 0 0 "[ . 1 . 2 .]" 1
443 1 36 LYS H 1 36 LYS HG2 0.000 . 3.500 2.659 2.114 3.509 0.009 10 0 "[ . 1 . 2 .]" 1
444 1 36 LYS H 1 36 LYS HG3 0.000 . 3.500 2.618 2.143 3.249 . 0 0 "[ . 1 . 2 .]" 1
445 1 36 LYS HA 1 36 LYS QE 0.000 . 6.000 4.069 2.606 4.703 . 0 0 "[ . 1 . 2 .]" 1
446 1 36 LYS HA 1 37 MET H 0.000 . 5.000 3.553 3.446 3.597 . 0 0 "[ . 1 . 2 .]" 1
447 1 36 LYS HA 1 39 GLY H 0.000 . 5.000 4.677 4.305 4.924 . 0 0 "[ . 1 . 2 .]" 1
448 1 37 MET H 1 37 MET HB2 0.000 . 3.500 2.162 2.102 2.250 . 0 0 "[ . 1 . 2 .]" 1
449 1 37 MET H 1 37 MET HB3 0.000 . 3.500 3.492 3.445 3.547 0.047 14 0 "[ . 1 . 2 .]" 1
450 1 37 MET H 1 37 MET HG2 0.000 . 3.500 3.334 2.975 3.507 0.007 20 0 "[ . 1 . 2 .]" 1
451 1 37 MET H 1 37 MET HG3 0.000 . 3.500 3.272 2.809 3.506 0.006 25 0 "[ . 1 . 2 .]" 1
452 1 37 MET HA 1 37 MET HG2 0.000 . 3.500 2.133 2.074 2.212 . 0 0 "[ . 1 . 2 .]" 1
453 1 37 MET HA 1 37 MET HG3 0.000 . 3.500 3.421 3.225 3.524 0.024 25 0 "[ . 1 . 2 .]" 1
454 1 37 MET HA 1 38 ASN H 0.000 . 3.500 3.567 3.523 3.575 0.075 16 0 "[ . 1 . 2 .]" 1
455 1 37 MET HA 1 39 GLY H 0.000 . 5.000 4.614 4.448 4.927 . 0 0 "[ . 1 . 2 .]" 1
456 1 37 MET QB 1 38 ASN H 0.000 . 4.500 2.221 1.981 2.771 . 0 0 "[ . 1 . 2 .]" 1
457 1 37 MET QB 1 38 ASN QD 0.000 . 7.000 3.657 2.369 5.069 . 0 0 "[ . 1 . 2 .]" 1
458 1 37 MET QB 1 39 GLY H 0.000 . 6.000 4.200 3.897 4.583 . 0 0 "[ . 1 . 2 .]" 1
459 1 37 MET QG 1 38 ASN H 0.000 . 6.000 4.049 3.899 4.308 . 0 0 "[ . 1 . 2 .]" 1
460 1 38 ASN H 1 38 ASN HB2 0.000 . 3.500 2.103 2.054 2.184 . 0 0 "[ . 1 . 2 .]" 1
461 1 38 ASN H 1 38 ASN HB3 0.000 . 3.500 3.455 3.426 3.491 . 0 0 "[ . 1 . 2 .]" 1
462 1 38 ASN H 1 39 GLY H 0.000 . 3.500 2.527 2.097 2.600 . 0 0 "[ . 1 . 2 .]" 1
463 1 38 ASN HA 1 39 GLY H 0.000 . 3.500 3.530 3.507 3.554 0.054 1 0 "[ . 1 . 2 .]" 1
464 1 38 ASN HB2 1 39 GLY H 0.000 . 5.000 2.851 2.636 2.986 . 0 0 "[ . 1 . 2 .]" 1
465 1 38 ASN HB3 1 39 GLY H 0.000 . 3.500 3.476 3.339 3.521 0.021 21 0 "[ . 1 . 2 .]" 1
466 1 39 GLY H 1 39 GLY HA2 0.000 . 2.800 2.394 2.367 2.467 . 0 0 "[ . 1 . 2 .]" 1
467 1 39 GLY H 1 39 GLY HA3 0.000 . 2.800 2.938 2.920 2.966 0.166 16 0 "[ . 1 . 2 .]" 1
468 1 39 GLY H 1 40 GLN H 0.000 . 3.500 2.826 2.549 3.145 . 0 0 "[ . 1 . 2 .]" 1
469 1 39 GLY HA2 1 40 GLN H 0.000 . 5.000 3.489 3.402 3.569 . 0 0 "[ . 1 . 2 .]" 1
470 1 39 GLY HA3 1 40 GLN H 0.000 . 5.000 3.019 2.796 3.174 . 0 0 "[ . 1 . 2 .]" 1
471 1 40 GLN H 1 41 ASN H 0.000 . 5.000 4.539 4.451 4.610 . 0 0 "[ . 1 . 2 .]" 1
472 1 40 GLN HA 1 40 GLN HB3 0.000 . 2.800 2.557 2.441 2.683 . 0 0 "[ . 1 . 2 .]" 1
473 1 40 GLN HA 1 41 ASN H 0.000 . 2.800 2.670 2.543 2.786 . 0 0 "[ . 1 . 2 .]" 1
474 1 40 GLN HB2 1 41 ASN H 0.000 . 3.500 3.385 2.924 3.523 0.023 22 0 "[ . 1 . 2 .]" 1
475 1 40 GLN HB3 1 41 ASN H 0.000 . 3.500 2.139 1.926 2.415 . 0 0 "[ . 1 . 2 .]" 1
476 1 40 GLN QG 1 41 ASN H 0.000 . 4.500 3.852 3.317 4.066 . 0 0 "[ . 1 . 2 .]" 1
477 1 41 ASN H 1 41 ASN HB2 0.000 . 2.800 2.241 2.121 2.488 . 0 0 "[ . 1 . 2 .]" 1
478 1 41 ASN H 1 41 ASN HB3 0.000 . 3.500 3.515 3.464 3.566 0.066 21 0 "[ . 1 . 2 .]" 1
479 1 41 ASN H 1 41 ASN HD21 0.000 . 5.000 3.652 2.361 4.895 . 0 0 "[ . 1 . 2 .]" 1
480 1 41 ASN H 1 41 ASN HD22 0.000 . 5.000 4.398 3.201 5.011 0.011 18 0 "[ . 1 . 2 .]" 1
481 1 41 ASN HA 1 42 ARG H 0.000 . 5.000 2.543 2.217 3.023 . 0 0 "[ . 1 . 2 .]" 1
482 1 41 ASN HB2 1 42 ARG H 0.000 . 5.000 3.648 2.403 4.430 . 0 0 "[ . 1 . 2 .]" 1
483 1 41 ASN HB3 1 42 ARG H 0.000 . 5.000 2.493 1.906 3.523 . 0 0 "[ . 1 . 2 .]" 1
484 1 42 ARG H 1 42 ARG HB2 0.000 . 3.500 2.494 1.944 3.296 . 0 0 "[ . 1 . 2 .]" 1
485 1 42 ARG H 1 42 ARG HB3 0.000 . 3.500 2.921 2.293 3.570 0.070 10 0 "[ . 1 . 2 .]" 1
486 1 42 ARG H 1 42 ARG QD 0.000 . 6.000 4.290 3.199 4.891 . 0 0 "[ . 1 . 2 .]" 1
487 1 42 ARG H 1 42 ARG HG2 0.000 . 5.000 4.307 3.256 4.913 . 0 0 "[ . 1 . 2 .]" 1
488 1 42 ARG H 1 42 ARG HG3 0.000 . 5.000 4.075 2.785 4.842 . 0 0 "[ . 1 . 2 .]" 1
489 1 42 ARG QB 1 43 PRO QD 0.000 . 7.000 3.100 1.889 3.688 . 0 0 "[ . 1 . 2 .]" 1
490 1 42 ARG HB2 1 42 ARG HE 0.000 . 5.000 3.833 2.510 4.648 . 0 0 "[ . 1 . 2 .]" 1
491 1 42 ARG HB3 1 42 ARG HE 0.000 . 5.000 3.868 1.969 4.935 . 0 0 "[ . 1 . 2 .]" 1
492 1 42 ARG HG2 1 43 PRO QD 0.000 . 6.000 3.174 1.912 4.435 . 0 0 "[ . 1 . 2 .]" 1
493 1 42 ARG HG3 1 43 PRO QD 0.000 . 6.000 3.004 1.863 4.577 . 0 0 "[ . 1 . 2 .]" 1
494 1 43 PRO HA 1 43 PRO HB3 0.000 . 2.800 2.311 2.304 2.315 . 0 0 "[ . 1 . 2 .]" 1
495 1 43 PRO HB2 1 44 LEU H 0.000 . 3.500 2.345 1.916 2.722 . 0 0 "[ . 1 . 2 .]" 1
496 1 43 PRO HB3 1 44 LEU H 0.000 . 3.500 3.473 3.253 3.588 0.088 8 0 "[ . 1 . 2 .]" 1
497 1 43 PRO QG 1 44 LEU H 0.000 . 6.000 3.179 1.799 4.236 . 0 0 "[ . 1 . 2 .]" 1
498 1 44 LEU H 1 44 LEU HA 0.000 . 2.800 2.726 2.360 2.978 0.178 20 0 "[ . 1 . 2 .]" 1
499 1 44 LEU H 1 44 LEU MD1 0.000 . 5.000 3.585 1.867 4.188 . 0 0 "[ . 1 . 2 .]" 1
500 1 44 LEU H 1 44 LEU MD2 0.000 . 5.000 3.282 1.903 4.273 . 0 0 "[ . 1 . 2 .]" 1
501 1 44 LEU H 1 44 LEU HG 0.000 . 5.000 3.061 2.278 4.187 . 0 0 "[ . 1 . 2 .]" 1
502 1 44 LEU H 1 45 ILE H 0.000 . 5.000 4.306 3.163 4.688 . 0 0 "[ . 1 . 2 .]" 1
503 1 44 LEU HA 1 45 ILE H 0.000 . 3.500 2.817 2.409 3.519 0.019 6 0 "[ . 1 . 2 .]" 1
504 1 44 LEU HB2 1 45 ILE H 0.000 . 3.500 2.985 1.868 3.524 0.024 9 0 "[ . 1 . 2 .]" 1
505 1 44 LEU HB3 1 45 ILE H 0.000 . 3.500 2.244 1.886 2.732 . 0 0 "[ . 1 . 2 .]" 1
506 1 45 ILE H 1 45 ILE HA 0.000 . 2.800 2.952 2.935 2.977 0.177 3 0 "[ . 1 . 2 .]" 1
507 1 45 ILE H 1 45 ILE HB 0.000 . 3.500 2.448 2.221 2.726 . 0 0 "[ . 1 . 2 .]" 1
508 1 45 ILE H 1 45 ILE HG12 0.000 . 5.000 3.335 1.981 4.115 . 0 0 "[ . 1 . 2 .]" 1
509 1 45 ILE H 1 45 ILE HG13 0.000 . 5.000 3.266 2.023 4.529 . 0 0 "[ . 1 . 2 .]" 1
510 1 45 ILE MG 1 46 ARG H 0.000 . 5.000 2.798 1.833 4.081 . 0 0 "[ . 1 . 2 .]" 1
511 1 46 ARG H 1 46 ARG HB2 0.000 . 3.500 2.199 1.936 2.808 . 0 0 "[ . 1 . 2 .]" 1
512 1 46 ARG H 1 46 ARG HB3 0.000 . 3.500 3.221 3.092 3.506 0.006 9 0 "[ . 1 . 2 .]" 1
513 1 46 ARG H 1 46 ARG QD 0.000 . 6.000 4.338 2.814 5.111 . 0 0 "[ . 1 . 2 .]" 1
514 1 46 ARG H 1 46 ARG QG 0.000 . 4.500 3.650 2.886 3.999 . 0 0 "[ . 1 . 2 .]" 1
515 1 46 ARG HA 1 46 ARG HB2 0.000 . 2.800 2.847 2.804 2.918 0.118 6 0 "[ . 1 . 2 .]" 1
516 1 46 ARG HA 1 46 ARG HB3 0.000 . 2.800 2.854 2.767 2.893 0.093 12 0 "[ . 1 . 2 .]" 1
517 1 46 ARG HB2 1 46 ARG HE 0.000 . 5.000 4.008 2.645 4.866 . 0 0 "[ . 1 . 2 .]" 1
518 1 46 ARG HB3 1 46 ARG HE 0.000 . 5.000 3.856 2.231 4.964 . 0 0 "[ . 1 . 2 .]" 1
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