NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653704 |
6lf5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6lf5
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 388
_Distance_constraint_stats_list.Viol_count 680
_Distance_constraint_stats_list.Viol_total 1077.715
_Distance_constraint_stats_list.Viol_max 0.436
_Distance_constraint_stats_list.Viol_rms 0.0450
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0109
_Distance_constraint_stats_list.Viol_average_violations_only 0.0991
_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 CYS 1.396 0.168 8 0 "[ . 1 . ]"
1 2 PRO 0.569 0.115 1 0 "[ . 1 . ]"
1 3 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 4 VAL 0.705 0.145 8 0 "[ . 1 . ]"
1 5 CYS 3.913 0.263 6 0 "[ . 1 . ]"
1 6 PRO 2.217 0.187 11 0 "[ . 1 . ]"
1 7 ALA 0.270 0.187 11 0 "[ . 1 . ]"
1 8 ILE 0.819 0.136 1 0 "[ . 1 . ]"
1 9 TYR 0.855 0.136 1 0 "[ . 1 . ]"
1 10 GLN 2.805 0.288 13 0 "[ . 1 . ]"
1 11 PRO 12.874 0.436 2 0 "[ . 1 . ]"
1 12 VAL 18.707 0.436 2 0 "[ . 1 . ]"
1 13 PHE 5.209 0.170 5 0 "[ . 1 . ]"
1 14 ASP 1.588 0.250 3 0 "[ . 1 . ]"
1 15 GLU 2.122 0.250 3 0 "[ . 1 . ]"
1 16 PHE 3.908 0.132 4 0 "[ . 1 . ]"
1 17 GLY 1.679 0.092 4 0 "[ . 1 . ]"
1 18 ARG 0.152 0.037 3 0 "[ . 1 . ]"
1 19 MET 1.547 0.152 8 0 "[ . 1 . ]"
1 20 TYR 5.621 0.180 7 0 "[ . 1 . ]"
1 21 SER 1.876 0.167 1 0 "[ . 1 . ]"
1 22 ASN 9.418 0.288 13 0 "[ . 1 . ]"
1 23 SER 8.831 0.348 15 0 "[ . 1 . ]"
1 24 CYS 9.210 0.306 15 0 "[ . 1 . ]"
1 25 GLU 11.730 0.281 13 0 "[ . 1 . ]"
1 26 MET 5.517 0.348 15 0 "[ . 1 . ]"
1 27 GLN 1.694 0.168 8 0 "[ . 1 . ]"
1 28 ARG 6.705 0.339 14 0 "[ . 1 . ]"
1 29 ALA 4.022 0.273 14 0 "[ . 1 . ]"
1 30 ARG 0.454 0.053 12 0 "[ . 1 . ]"
1 31 CYS 1.732 0.339 14 0 "[ . 1 . ]"
1 32 LEU 1.320 0.120 2 0 "[ . 1 . ]"
1 33 ARG 0.714 0.111 10 0 "[ . 1 . ]"
1 34 GLY 0.217 0.077 5 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 CYS HA 1 2 PRO HD2 3.000 . 3.500 2.451 2.387 2.697 . 0 0 "[ . 1 . ]" 1
2 1 1 CYS HA 1 2 PRO HD3 3.000 . 3.500 2.331 2.196 2.452 . 0 0 "[ . 1 . ]" 1
3 1 1 CYS HA 1 2 PRO HG3 4.000 . 5.000 4.513 4.389 4.591 . 0 0 "[ . 1 . ]" 1
4 1 1 CYS HA 1 27 GLN HA 4.000 . 5.000 5.000 4.698 5.145 0.145 15 0 "[ . 1 . ]" 1
5 1 1 CYS HB2 1 2 PRO HD3 4.000 . 5.000 4.316 3.647 4.845 . 0 0 "[ . 1 . ]" 1
6 1 1 CYS HB3 1 2 PRO HD2 4.000 2.800 5.000 4.020 2.764 4.842 0.036 12 0 "[ . 1 . ]" 1
7 1 1 CYS HB3 1 2 PRO HD3 4.000 . 5.000 4.478 3.948 4.680 . 0 0 "[ . 1 . ]" 1
8 1 1 CYS HB3 1 27 GLN HA 4.000 2.800 5.000 4.641 3.785 5.168 0.168 8 0 "[ . 1 . ]" 1
9 1 2 PRO HA 1 3 GLN H 3.000 . 3.500 2.242 2.163 2.343 . 0 0 "[ . 1 . ]" 1
10 1 2 PRO HA 1 4 VAL H 4.000 . 5.000 3.851 3.624 4.246 . 0 0 "[ . 1 . ]" 1
11 1 2 PRO HB2 1 3 GLN H 4.000 . 5.000 3.522 3.038 3.969 . 0 0 "[ . 1 . ]" 1
12 1 2 PRO HB3 1 3 GLN H 4.000 . 5.000 3.505 3.067 3.856 . 0 0 "[ . 1 . ]" 1
13 1 2 PRO HB3 1 4 VAL H 4.000 . 5.000 3.626 3.066 4.101 . 0 0 "[ . 1 . ]" 1
14 1 2 PRO HD2 1 28 ARG H 4.000 . 5.000 4.134 3.540 4.757 . 0 0 "[ . 1 . ]" 1
15 1 2 PRO HD2 1 28 ARG HA 4.000 . 5.000 4.476 3.418 5.103 0.103 11 0 "[ . 1 . ]" 1
16 1 2 PRO HD3 1 28 ARG H 5.000 2.800 6.000 5.528 4.803 6.115 0.115 1 0 "[ . 1 . ]" 1
17 1 3 GLN H 1 4 VAL H 3.000 . 3.500 2.471 2.223 2.707 . 0 0 "[ . 1 . ]" 1
18 1 3 GLN H 1 4 VAL MG1 4.000 . 5.000 4.136 3.827 4.516 . 0 0 "[ . 1 . ]" 1
19 1 3 GLN HA 1 28 ARG HE 4.000 . 5.000 3.961 3.161 4.934 . 0 0 "[ . 1 . ]" 1
20 1 3 GLN HB3 1 4 VAL H 4.000 . 5.000 3.745 2.627 4.187 . 0 0 "[ . 1 . ]" 1
21 1 4 VAL H 1 4 VAL HA 3.000 . 3.500 2.964 2.949 2.975 . 0 0 "[ . 1 . ]" 1
22 1 4 VAL H 1 4 VAL MG2 3.000 . 3.500 1.993 1.818 2.123 . 0 0 "[ . 1 . ]" 1
23 1 4 VAL H 1 5 CYS H 4.000 . 5.000 4.464 4.425 4.525 . 0 0 "[ . 1 . ]" 1
24 1 4 VAL H 1 28 ARG HE 4.000 . 5.000 5.008 4.626 5.145 0.145 8 0 "[ . 1 . ]" 1
25 1 4 VAL HA 1 5 CYS H 3.000 . 3.500 2.359 2.314 2.388 . 0 0 "[ . 1 . ]" 1
26 1 4 VAL HB 1 5 CYS H 3.000 . 3.500 2.554 2.459 2.650 . 0 0 "[ . 1 . ]" 1
27 1 4 VAL MG1 1 5 CYS HA 5.000 2.800 6.000 5.501 5.477 5.563 . 0 0 "[ . 1 . ]" 1
28 1 4 VAL MG2 1 5 CYS H 3.000 . 3.500 3.502 3.450 3.540 0.040 10 0 "[ . 1 . ]" 1
29 1 5 CYS H 1 6 PRO HD2 4.000 . 5.000 4.925 4.886 5.093 0.093 11 0 "[ . 1 . ]" 1
30 1 5 CYS HA 1 6 PRO HD2 3.000 . 3.500 2.465 2.388 2.745 . 0 0 "[ . 1 . ]" 1
31 1 5 CYS HA 1 6 PRO HD3 3.000 . 3.500 2.336 2.176 2.391 . 0 0 "[ . 1 . ]" 1
32 1 5 CYS HA 1 6 PRO HG2 4.000 . 5.000 4.589 4.547 4.686 . 0 0 "[ . 1 . ]" 1
33 1 5 CYS HA 1 6 PRO HG3 4.000 . 5.000 4.531 4.370 4.564 . 0 0 "[ . 1 . ]" 1
34 1 5 CYS HA 1 24 CYS HB3 4.000 . 5.000 3.185 2.863 3.527 . 0 0 "[ . 1 . ]" 1
35 1 5 CYS HB2 1 6 PRO HD2 3.000 . 4.000 3.801 3.772 3.902 . 0 0 "[ . 1 . ]" 1
36 1 5 CYS HB2 1 6 PRO HD3 5.000 2.800 6.000 4.765 4.586 4.805 . 0 0 "[ . 1 . ]" 1
37 1 5 CYS HB2 1 22 ASN HD22 5.000 2.800 6.000 3.527 2.921 4.349 . 0 0 "[ . 1 . ]" 1
38 1 5 CYS HB2 1 24 CYS H 5.000 2.800 6.000 6.229 6.150 6.263 0.263 6 0 "[ . 1 . ]" 1
39 1 5 CYS HB2 1 24 CYS HB3 4.000 . 5.000 3.818 3.797 3.838 . 0 0 "[ . 1 . ]" 1
40 1 5 CYS HB2 1 25 GLU H 5.000 2.800 6.000 5.093 4.767 5.337 . 0 0 "[ . 1 . ]" 1
41 1 5 CYS HB3 1 6 PRO HD3 4.000 . 5.000 3.632 3.388 3.701 . 0 0 "[ . 1 . ]" 1
42 1 5 CYS HB3 1 25 GLU HG2 3.000 . 3.500 3.128 2.959 3.400 . 0 0 "[ . 1 . ]" 1
43 1 6 PRO HA 1 7 ALA H 3.000 . 3.500 2.257 2.231 2.348 . 0 0 "[ . 1 . ]" 1
44 1 6 PRO HB2 1 7 ALA H 4.000 . 5.000 3.115 2.833 3.320 . 0 0 "[ . 1 . ]" 1
45 1 6 PRO HB2 1 22 ASN HD22 5.000 2.800 6.000 5.997 4.890 6.087 0.087 8 0 "[ . 1 . ]" 1
46 1 6 PRO HB3 1 7 ALA H 4.000 . 5.000 3.692 2.876 3.805 . 0 0 "[ . 1 . ]" 1
47 1 6 PRO HD2 1 22 ASN HD21 5.000 2.800 6.000 4.043 3.310 4.381 . 0 0 "[ . 1 . ]" 1
48 1 6 PRO HD2 1 24 CYS H 4.000 . 5.000 3.860 3.604 4.176 . 0 0 "[ . 1 . ]" 1
49 1 6 PRO HD2 1 24 CYS HA 5.000 2.800 6.000 4.885 4.794 4.991 . 0 0 "[ . 1 . ]" 1
50 1 6 PRO HD2 1 24 CYS HB3 4.000 . 5.000 2.445 2.349 2.553 . 0 0 "[ . 1 . ]" 1
51 1 6 PRO HD2 1 25 GLU H 5.000 2.800 6.000 4.563 4.382 4.729 . 0 0 "[ . 1 . ]" 1
52 1 6 PRO HD3 1 22 ASN HD21 5.000 2.800 6.000 5.740 5.072 6.059 0.059 13 0 "[ . 1 . ]" 1
53 1 6 PRO HD3 1 24 CYS HB2 4.000 2.800 5.000 2.987 2.810 3.180 . 0 0 "[ . 1 . ]" 1
54 1 6 PRO HD3 1 25 GLU H 5.000 2.800 6.000 6.013 5.777 6.135 0.135 13 0 "[ . 1 . ]" 1
55 1 6 PRO HG2 1 7 ALA H 4.000 . 5.000 4.758 4.492 5.187 0.187 11 0 "[ . 1 . ]" 1
56 1 6 PRO HG2 1 22 ASN HD21 4.000 . 5.000 4.036 3.705 5.054 0.054 11 0 "[ . 1 . ]" 1
57 1 6 PRO HG2 1 22 ASN HD22 5.000 2.800 6.000 4.427 4.148 5.406 . 0 0 "[ . 1 . ]" 1
58 1 6 PRO HG3 1 7 ALA H 5.000 2.800 6.000 5.372 4.762 5.467 . 0 0 "[ . 1 . ]" 1
59 1 7 ALA H 1 7 ALA HA 3.000 . 3.500 2.915 2.817 2.963 . 0 0 "[ . 1 . ]" 1
60 1 7 ALA H 1 8 ILE H 4.000 . 5.000 2.454 2.119 2.644 . 0 0 "[ . 1 . ]" 1
61 1 7 ALA HA 1 8 ILE H 3.000 . 4.000 3.269 3.156 3.526 . 0 0 "[ . 1 . ]" 1
62 1 7 ALA HA 1 9 TYR QD 4.000 . 5.000 4.757 4.609 5.047 0.047 1 0 "[ . 1 . ]" 1
63 1 7 ALA HA 1 22 ASN HD21 5.000 2.800 6.000 5.169 4.579 5.930 . 0 0 "[ . 1 . ]" 1
64 1 7 ALA HA 1 22 ASN HD22 5.000 2.800 6.000 5.378 4.885 5.758 . 0 0 "[ . 1 . ]" 1
65 1 7 ALA MB 1 8 ILE H 4.000 . 5.000 3.243 2.608 3.436 . 0 0 "[ . 1 . ]" 1
66 1 8 ILE H 1 8 ILE HB 3.000 . 3.500 2.555 2.414 3.583 0.083 15 0 "[ . 1 . ]" 1
67 1 8 ILE H 1 9 TYR H 4.000 . 5.000 2.910 2.676 4.495 . 0 0 "[ . 1 . ]" 1
68 1 8 ILE HA 1 9 TYR H 3.000 . 3.500 3.361 2.115 3.551 0.051 11 0 "[ . 1 . ]" 1
69 1 8 ILE HA 1 9 TYR HA 5.000 2.800 6.000 5.206 4.390 5.338 . 0 0 "[ . 1 . ]" 1
70 1 8 ILE HA 1 9 TYR HB2 4.000 . 5.000 4.325 4.103 4.578 . 0 0 "[ . 1 . ]" 1
71 1 8 ILE MD 1 9 TYR H 4.000 2.800 5.000 4.455 3.838 5.136 0.136 1 0 "[ . 1 . ]" 1
72 1 8 ILE MG 1 9 TYR H 4.000 2.800 5.000 3.327 2.742 3.955 0.058 1 0 "[ . 1 . ]" 1
73 1 9 TYR H 1 10 GLN H 4.000 . 5.000 3.487 3.322 4.428 . 0 0 "[ . 1 . ]" 1
74 1 9 TYR HA 1 10 GLN H 3.000 . 3.500 2.211 2.195 2.232 . 0 0 "[ . 1 . ]" 1
75 1 9 TYR HA 1 11 PRO HA 5.000 2.800 6.000 5.696 5.607 5.801 . 0 0 "[ . 1 . ]" 1
76 1 9 TYR HB2 1 10 GLN H 4.000 . 5.000 4.633 4.601 4.653 . 0 0 "[ . 1 . ]" 1
77 1 9 TYR HB3 1 10 GLN H 4.000 . 5.000 4.311 4.126 4.395 . 0 0 "[ . 1 . ]" 1
78 1 9 TYR QD 1 10 GLN H 4.000 . 5.000 4.188 4.074 4.227 . 0 0 "[ . 1 . ]" 1
79 1 9 TYR QD 1 11 PRO HD2 4.000 . 5.000 3.300 3.150 3.500 . 0 0 "[ . 1 . ]" 1
80 1 9 TYR QD 1 11 PRO HD3 4.000 . 5.000 2.484 2.338 2.821 . 0 0 "[ . 1 . ]" 1
81 1 9 TYR QD 1 21 SER HA 4.000 . 5.000 4.704 4.353 4.839 . 0 0 "[ . 1 . ]" 1
82 1 9 TYR QD 1 21 SER QB 4.000 2.800 5.000 4.020 3.280 4.350 . 0 0 "[ . 1 . ]" 1
83 1 9 TYR QD 1 21 SER HB3 4.000 . 5.000 4.678 3.883 5.036 0.036 1 0 "[ . 1 . ]" 1
84 1 9 TYR QE 1 11 PRO HD2 4.000 . 5.000 4.283 3.644 4.773 . 0 0 "[ . 1 . ]" 1
85 1 9 TYR QE 1 11 PRO HD3 4.000 . 5.000 3.440 3.227 3.695 . 0 0 "[ . 1 . ]" 1
86 1 9 TYR QE 1 21 SER HA 4.000 . 5.000 3.835 3.488 3.957 . 0 0 "[ . 1 . ]" 1
87 1 9 TYR QE 1 21 SER QB 4.000 . 5.000 2.932 2.272 3.135 . 0 0 "[ . 1 . ]" 1
88 1 9 TYR QE 1 21 SER HB3 4.000 . 5.000 3.917 2.332 4.420 . 0 0 "[ . 1 . ]" 1
89 1 10 GLN H 1 10 GLN HB2 4.000 . 5.000 2.867 2.650 3.083 . 0 0 "[ . 1 . ]" 1
90 1 10 GLN H 1 10 GLN HB3 4.000 . 5.000 3.277 2.707 3.828 . 0 0 "[ . 1 . ]" 1
91 1 10 GLN H 1 11 PRO HA 5.000 2.800 6.000 4.462 4.395 4.511 . 0 0 "[ . 1 . ]" 1
92 1 10 GLN H 1 11 PRO HD2 4.000 . 5.000 4.129 3.827 4.362 . 0 0 "[ . 1 . ]" 1
93 1 10 GLN H 1 11 PRO HD3 4.000 . 5.000 3.037 2.781 3.261 . 0 0 "[ . 1 . ]" 1
94 1 10 GLN H 1 21 SER HA 5.000 2.800 6.000 4.765 4.632 4.889 . 0 0 "[ . 1 . ]" 1
95 1 10 GLN H 1 22 ASN HB2 4.000 . 5.000 3.567 3.135 4.496 . 0 0 "[ . 1 . ]" 1
96 1 10 GLN H 1 22 ASN HB3 4.000 . 5.000 2.227 1.891 3.084 . 0 0 "[ . 1 . ]" 1
97 1 10 GLN H 1 22 ASN HD21 4.000 . 5.000 3.858 3.505 5.051 0.051 5 0 "[ . 1 . ]" 1
98 1 10 GLN H 1 22 ASN HD22 4.000 . 5.000 5.056 4.515 5.288 0.288 13 0 "[ . 1 . ]" 1
99 1 10 GLN H 1 23 SER H 4.000 . 5.000 4.970 4.641 5.099 0.099 1 0 "[ . 1 . ]" 1
100 1 10 GLN HA 1 10 GLN HG2 4.000 . 5.000 2.976 2.475 3.699 . 0 0 "[ . 1 . ]" 1
101 1 10 GLN HA 1 11 PRO HD3 3.000 . 3.500 2.790 2.615 3.016 . 0 0 "[ . 1 . ]" 1
102 1 10 GLN HA 1 11 PRO HG2 4.000 . 5.000 4.595 4.566 4.625 . 0 0 "[ . 1 . ]" 1
103 1 10 GLN HB2 1 22 ASN HA 4.000 . 5.000 3.860 2.730 4.874 . 0 0 "[ . 1 . ]" 1
104 1 10 GLN HB2 1 22 ASN HB3 4.000 . 5.000 3.696 2.875 4.526 . 0 0 "[ . 1 . ]" 1
105 1 10 GLN HB3 1 11 PRO HD3 4.000 . 5.000 4.867 4.777 5.005 0.005 1 0 "[ . 1 . ]" 1
106 1 11 PRO HA 1 12 VAL H 3.000 . 3.500 2.074 2.037 2.091 . 0 0 "[ . 1 . ]" 1
107 1 11 PRO HA 1 12 VAL MG1 4.000 2.800 5.000 5.343 5.308 5.395 0.395 6 0 "[ . 1 . ]" 1
108 1 11 PRO HA 1 21 SER HA 4.000 . 5.000 2.593 2.530 2.718 . 0 0 "[ . 1 . ]" 1
109 1 11 PRO HA 1 22 ASN H 5.000 2.800 6.000 4.407 3.981 4.557 . 0 0 "[ . 1 . ]" 1
110 1 11 PRO HB2 1 21 SER HA 4.000 . 5.000 5.069 4.846 5.167 0.167 1 0 "[ . 1 . ]" 1
111 1 11 PRO HB3 1 11 PRO HD2 4.000 . 5.000 3.978 3.954 4.023 . 0 0 "[ . 1 . ]" 1
112 1 11 PRO HB3 1 12 VAL H 3.000 . 3.500 3.454 3.398 3.500 0.000 4 0 "[ . 1 . ]" 1
113 1 11 PRO HB3 1 21 SER HA 4.000 . 5.000 3.776 3.588 3.903 . 0 0 "[ . 1 . ]" 1
114 1 11 PRO HD3 1 12 VAL H 4.000 . 5.000 5.382 5.327 5.436 0.436 2 0 "[ . 1 . ]" 1
115 1 11 PRO HG2 1 21 SER HA 5.000 2.800 6.000 4.898 4.348 5.058 . 0 0 "[ . 1 . ]" 1
116 1 12 VAL H 1 12 VAL HA 3.000 . 3.500 2.970 2.966 2.975 . 0 0 "[ . 1 . ]" 1
117 1 12 VAL H 1 12 VAL HB 4.000 . 5.000 2.825 2.572 2.916 . 0 0 "[ . 1 . ]" 1
118 1 12 VAL H 1 12 VAL MG2 3.000 . 3.500 2.492 2.306 2.886 . 0 0 "[ . 1 . ]" 1
119 1 12 VAL H 1 13 PHE H 4.000 2.800 5.000 4.453 4.426 4.494 . 0 0 "[ . 1 . ]" 1
120 1 12 VAL H 1 20 TYR H . . 3.500 3.094 2.985 3.306 . 0 0 "[ . 1 . ]" 1
121 1 12 VAL H 1 20 TYR HB2 4.000 . 5.000 3.287 2.872 3.401 . 0 0 "[ . 1 . ]" 1
122 1 12 VAL H 1 20 TYR HB3 3.000 . 4.000 4.086 3.735 4.180 0.180 7 0 "[ . 1 . ]" 1
123 1 12 VAL H 1 20 TYR QD 4.000 . 5.000 4.978 4.724 5.102 0.102 6 0 "[ . 1 . ]" 1
124 1 12 VAL H 1 21 SER HA 4.000 . 5.000 3.892 3.780 4.281 . 0 0 "[ . 1 . ]" 1
125 1 12 VAL H 1 21 SER HB2 5.000 2.800 6.000 6.027 5.958 6.069 0.069 9 0 "[ . 1 . ]" 1
126 1 12 VAL H 1 22 ASN HA 4.000 . 5.000 3.974 3.573 4.092 . 0 0 "[ . 1 . ]" 1
127 1 12 VAL HA 1 13 PHE H 3.000 . 3.500 2.275 2.256 2.340 . 0 0 "[ . 1 . ]" 1
128 1 12 VAL HA 1 13 PHE HA 5.000 2.800 6.000 4.439 4.420 4.448 . 0 0 "[ . 1 . ]" 1
129 1 12 VAL HA 1 13 PHE QD 3.000 . 3.500 3.200 3.150 3.326 . 0 0 "[ . 1 . ]" 1
130 1 12 VAL HA 1 13 PHE QE 4.000 . 5.000 4.696 4.540 4.831 . 0 0 "[ . 1 . ]" 1
131 1 12 VAL HB 1 13 PHE H 3.000 . 3.500 3.593 3.560 3.645 0.145 6 0 "[ . 1 . ]" 1
132 1 12 VAL HB 1 23 SER H 4.000 . 5.000 4.971 4.243 5.051 0.051 1 0 "[ . 1 . ]" 1
133 1 12 VAL MG1 1 13 PHE H 4.000 . 5.000 2.076 1.853 2.189 . 0 0 "[ . 1 . ]" 1
134 1 12 VAL MG1 1 20 TYR H 4.000 . 5.000 4.958 4.620 5.041 0.041 5 0 "[ . 1 . ]" 1
135 1 12 VAL MG1 1 20 TYR HB2 3.500 2.300 4.500 4.024 3.918 4.195 . 0 0 "[ . 1 . ]" 1
136 1 12 VAL MG1 1 20 TYR QD 4.000 2.800 5.000 4.527 4.404 4.737 . 0 0 "[ . 1 . ]" 1
137 1 12 VAL MG1 1 20 TYR QE 5.000 2.800 6.000 6.037 6.012 6.092 0.092 3 0 "[ . 1 . ]" 1
138 1 12 VAL MG1 1 22 ASN H 5.000 2.800 6.000 6.021 5.965 6.084 0.084 15 0 "[ . 1 . ]" 1
139 1 12 VAL MG1 1 23 SER H 4.000 . 5.000 4.727 4.527 5.031 0.031 9 0 "[ . 1 . ]" 1
140 1 12 VAL MG1 1 23 SER HA 4.000 2.800 5.000 3.914 3.660 4.215 . 0 0 "[ . 1 . ]" 1
141 1 12 VAL MG1 1 23 SER HB2 4.000 . 5.000 4.887 4.236 5.178 0.178 1 0 "[ . 1 . ]" 1
142 1 12 VAL MG1 1 26 MET H 5.000 2.800 6.000 5.888 5.698 6.016 0.016 7 0 "[ . 1 . ]" 1
143 1 12 VAL MG1 1 26 MET HB2 4.000 . 5.000 4.843 4.476 4.995 . 0 0 "[ . 1 . ]" 1
144 1 12 VAL MG1 1 26 MET HG2 4.000 . 5.000 4.321 4.124 4.486 . 0 0 "[ . 1 . ]" 1
145 1 12 VAL MG2 1 13 PHE H 4.000 . 5.000 3.998 3.765 4.098 . 0 0 "[ . 1 . ]" 1
146 1 12 VAL MG2 1 22 ASN HB3 4.000 . 5.000 4.265 4.047 4.441 . 0 0 "[ . 1 . ]" 1
147 1 12 VAL MG2 1 23 SER H 4.000 . 5.000 2.799 2.654 3.031 . 0 0 "[ . 1 . ]" 1
148 1 12 VAL MG2 1 23 SER HA 4.000 2.800 5.000 3.093 2.775 3.414 0.025 10 0 "[ . 1 . ]" 1
149 1 13 PHE H 1 13 PHE HB2 3.000 . 3.500 2.444 2.407 2.469 . 0 0 "[ . 1 . ]" 1
150 1 13 PHE H 1 13 PHE HB3 3.000 . 3.500 3.654 3.632 3.670 0.170 5 0 "[ . 1 . ]" 1
151 1 13 PHE H 1 13 PHE QD 3.000 . 3.500 2.762 2.634 2.814 . 0 0 "[ . 1 . ]" 1
152 1 13 PHE H 1 14 ASP H 4.000 . 5.000 4.422 4.362 4.477 . 0 0 "[ . 1 . ]" 1
153 1 13 PHE HA 1 14 ASP H 3.000 . 3.500 2.186 2.155 2.216 . 0 0 "[ . 1 . ]" 1
154 1 13 PHE HA 1 19 MET HA 4.000 . 5.000 3.010 2.690 3.307 . 0 0 "[ . 1 . ]" 1
155 1 13 PHE HA 1 20 TYR H 4.000 . 5.000 3.575 3.444 3.885 . 0 0 "[ . 1 . ]" 1
156 1 13 PHE HA 1 20 TYR QD 4.000 . 5.000 3.797 3.562 4.057 . 0 0 "[ . 1 . ]" 1
157 1 13 PHE HA 1 20 TYR QE 5.000 2.800 6.000 5.423 5.145 5.688 . 0 0 "[ . 1 . ]" 1
158 1 13 PHE HB2 1 14 ASP H 4.000 . 5.000 4.259 4.199 4.319 . 0 0 "[ . 1 . ]" 1
159 1 13 PHE HB3 1 14 ASP H 3.000 . 3.500 3.224 3.094 3.375 . 0 0 "[ . 1 . ]" 1
160 1 13 PHE HB3 1 19 MET HA 5.000 2.800 6.000 5.042 4.893 5.257 . 0 0 "[ . 1 . ]" 1
161 1 13 PHE QD 1 14 ASP H 4.000 . 5.000 3.946 3.855 4.059 . 0 0 "[ . 1 . ]" 1
162 1 13 PHE QD 1 19 MET H 5.000 2.800 6.000 5.285 5.051 5.473 . 0 0 "[ . 1 . ]" 1
163 1 13 PHE QD 1 19 MET HA 4.000 . 5.000 3.865 3.724 4.060 . 0 0 "[ . 1 . ]" 1
164 1 13 PHE QD 1 19 MET QB 4.000 . 5.000 4.899 4.796 5.007 0.007 5 0 "[ . 1 . ]" 1
165 1 13 PHE QD 1 19 MET ME 4.000 . 5.000 4.587 3.818 5.077 0.077 12 0 "[ . 1 . ]" 1
166 1 13 PHE QD 1 20 TYR H 5.000 3.800 6.000 4.969 4.872 5.323 . 0 0 "[ . 1 . ]" 1
167 1 13 PHE QE 1 17 GLY QA 4.000 . 5.000 5.062 5.034 5.092 0.092 4 0 "[ . 1 . ]" 1
168 1 13 PHE HZ 1 19 MET ME 5.000 2.800 6.000 3.600 2.783 5.444 0.017 1 0 "[ . 1 . ]" 1
169 1 14 ASP H 1 14 ASP HA 3.000 . 3.500 2.937 2.890 2.967 . 0 0 "[ . 1 . ]" 1
170 1 14 ASP H 1 14 ASP HB3 4.000 . 5.000 3.176 2.681 3.631 . 0 0 "[ . 1 . ]" 1
171 1 14 ASP H 1 16 PHE H 4.000 . 5.000 4.325 4.118 4.604 . 0 0 "[ . 1 . ]" 1
172 1 14 ASP H 1 17 GLY H 4.000 . 5.000 3.829 3.720 3.965 . 0 0 "[ . 1 . ]" 1
173 1 14 ASP H 1 18 ARG H 3.000 . 3.500 3.134 2.864 3.407 . 0 0 "[ . 1 . ]" 1
174 1 14 ASP H 1 19 MET H 4.000 . 5.000 5.079 4.978 5.152 0.152 8 0 "[ . 1 . ]" 1
175 1 14 ASP H 1 19 MET HA 4.000 . 5.000 4.030 3.689 4.326 . 0 0 "[ . 1 . ]" 1
176 1 14 ASP HA 1 15 GLU H 3.000 . 3.500 2.326 2.268 2.388 . 0 0 "[ . 1 . ]" 1
177 1 14 ASP HA 1 16 PHE H 4.000 . 5.000 3.908 3.787 4.072 . 0 0 "[ . 1 . ]" 1
178 1 14 ASP HA 1 17 GLY H 5.000 2.800 6.000 4.557 4.395 4.710 . 0 0 "[ . 1 . ]" 1
179 1 14 ASP HB3 1 15 GLU HB3 4.000 . 5.000 5.001 4.895 5.250 0.250 3 0 "[ . 1 . ]" 1
180 1 15 GLU H 1 15 GLU HA 3.000 . 3.500 2.789 2.782 2.798 . 0 0 "[ . 1 . ]" 1
181 1 15 GLU H 1 16 PHE H 4.000 2.800 5.000 2.783 2.727 2.843 0.073 12 0 "[ . 1 . ]" 1
182 1 15 GLU H 1 16 PHE HB2 4.000 2.800 5.000 4.886 4.789 4.944 . 0 0 "[ . 1 . ]" 1
183 1 15 GLU H 1 17 GLY H 4.000 . 5.000 4.116 3.929 4.267 . 0 0 "[ . 1 . ]" 1
184 1 15 GLU H 1 20 TYR QE 5.000 2.800 6.000 6.031 5.917 6.093 0.093 13 0 "[ . 1 . ]" 1
185 1 15 GLU HA 1 15 GLU HB3 3.000 . 3.500 2.717 2.467 3.030 . 0 0 "[ . 1 . ]" 1
186 1 15 GLU HA 1 16 PHE H 4.000 . 5.000 3.373 3.292 3.469 . 0 0 "[ . 1 . ]" 1
187 1 15 GLU HB2 1 16 PHE H 5.000 2.800 6.000 4.227 4.079 4.324 . 0 0 "[ . 1 . ]" 1
188 1 15 GLU HG2 1 16 PHE H 4.000 . 5.000 3.883 2.821 5.082 0.082 12 0 "[ . 1 . ]" 1
189 1 15 GLU HG2 1 16 PHE QE 4.000 . 5.000 3.713 2.758 5.012 0.012 15 0 "[ . 1 . ]" 1
190 1 15 GLU HG3 1 16 PHE H 4.000 . 5.000 3.772 3.307 4.867 . 0 0 "[ . 1 . ]" 1
191 1 15 GLU HG3 1 16 PHE QD 4.000 2.800 5.000 3.838 3.110 4.923 . 0 0 "[ . 1 . ]" 1
192 1 15 GLU HG3 1 16 PHE QE 4.000 . 5.000 4.008 3.165 5.120 0.120 5 0 "[ . 1 . ]" 1
193 1 16 PHE H 1 16 PHE HA 3.000 . 3.500 2.934 2.906 2.947 . 0 0 "[ . 1 . ]" 1
194 1 16 PHE H 1 16 PHE HB3 3.000 . 3.500 3.611 3.581 3.632 0.132 4 0 "[ . 1 . ]" 1
195 1 16 PHE H 1 17 GLY H 3.000 . 3.500 2.206 2.153 2.297 . 0 0 "[ . 1 . ]" 1
196 1 16 PHE H 1 17 GLY HA2 4.000 . 4.500 4.486 4.429 4.588 0.088 15 0 "[ . 1 . ]" 1
197 1 16 PHE H 1 17 GLY HA3 5.000 2.800 6.000 4.869 4.820 4.954 . 0 0 "[ . 1 . ]" 1
198 1 16 PHE H 1 18 ARG H 3.000 . 4.000 3.139 3.033 3.286 . 0 0 "[ . 1 . ]" 1
199 1 16 PHE HA 1 17 GLY H 4.000 . 5.000 3.245 3.220 3.254 . 0 0 "[ . 1 . ]" 1
200 1 16 PHE HA 1 18 ARG H 4.000 . 5.000 4.427 4.238 4.566 . 0 0 "[ . 1 . ]" 1
201 1 16 PHE QB 1 20 TYR QE 4.000 . 5.000 4.783 4.394 5.068 0.068 5 0 "[ . 1 . ]" 1
202 1 16 PHE HB2 1 17 GLY H 3.000 . 3.500 3.510 3.473 3.560 0.060 5 0 "[ . 1 . ]" 1
203 1 16 PHE HB2 1 18 ARG HE 5.000 2.800 6.000 4.087 2.943 5.339 . 0 0 "[ . 1 . ]" 1
204 1 16 PHE HB3 1 18 ARG HG3 4.000 . 5.000 2.846 2.700 2.996 . 0 0 "[ . 1 . ]" 1
205 1 16 PHE QD 1 17 GLY H 5.000 2.800 6.000 4.431 4.224 4.496 . 0 0 "[ . 1 . ]" 1
206 1 17 GLY H 1 18 ARG H 3.000 . 3.500 2.423 2.393 2.458 . 0 0 "[ . 1 . ]" 1
207 1 17 GLY HA2 1 18 ARG H 4.000 . 4.500 3.141 3.076 3.223 . 0 0 "[ . 1 . ]" 1
208 1 18 ARG H 1 19 MET H 4.000 . 5.000 4.597 4.499 4.628 . 0 0 "[ . 1 . ]" 1
209 1 18 ARG H 1 20 TYR QD 5.000 2.800 6.000 5.189 4.967 5.366 . 0 0 "[ . 1 . ]" 1
210 1 18 ARG H 1 20 TYR QE 4.000 2.800 5.000 4.408 4.233 4.539 . 0 0 "[ . 1 . ]" 1
211 1 18 ARG HA 1 19 MET H 3.000 . 3.500 2.226 2.147 2.303 . 0 0 "[ . 1 . ]" 1
212 1 18 ARG HA 1 20 TYR QE 4.000 . 5.000 4.872 4.652 4.997 . 0 0 "[ . 1 . ]" 1
213 1 18 ARG HB2 1 20 TYR QE 4.000 . 5.000 2.319 2.304 2.346 . 0 0 "[ . 1 . ]" 1
214 1 18 ARG HB3 1 19 MET H 4.000 . 5.000 2.934 2.701 3.333 . 0 0 "[ . 1 . ]" 1
215 1 18 ARG HB3 1 20 TYR QE 4.000 2.800 5.000 2.840 2.763 2.928 0.037 3 0 "[ . 1 . ]" 1
216 1 18 ARG HD2 1 20 TYR QE 4.000 . 5.000 3.796 2.973 5.029 0.029 13 0 "[ . 1 . ]" 1
217 1 18 ARG HD3 1 20 TYR QE 4.000 . 5.000 3.659 3.313 4.061 . 0 0 "[ . 1 . ]" 1
218 1 18 ARG HG2 1 19 MET H 4.000 . 5.000 4.017 3.922 4.201 . 0 0 "[ . 1 . ]" 1
219 1 19 MET H 1 19 MET HB2 4.000 . 5.000 2.419 2.352 2.498 . 0 0 "[ . 1 . ]" 1
220 1 19 MET H 1 20 TYR H 4.000 . 5.000 4.483 4.396 4.546 . 0 0 "[ . 1 . ]" 1
221 1 19 MET HA 1 20 TYR H 3.000 . 3.500 2.135 2.107 2.154 . 0 0 "[ . 1 . ]" 1
222 1 19 MET HA 1 20 TYR QD 4.000 . 5.000 3.807 3.392 4.223 . 0 0 "[ . 1 . ]" 1
223 1 19 MET HB2 1 20 TYR H 4.000 . 5.000 4.200 4.096 4.310 . 0 0 "[ . 1 . ]" 1
224 1 19 MET HB3 1 20 TYR H 3.000 . 3.500 3.232 3.026 3.451 . 0 0 "[ . 1 . ]" 1
225 1 20 TYR H 1 20 TYR HB2 4.000 . 5.000 2.590 2.511 2.633 . 0 0 "[ . 1 . ]" 1
226 1 20 TYR H 1 20 TYR HB3 4.000 2.800 5.000 3.738 3.677 3.765 . 0 0 "[ . 1 . ]" 1
227 1 20 TYR HA 1 21 SER H 3.000 . 3.500 2.256 2.208 2.679 . 0 0 "[ . 1 . ]" 1
228 1 20 TYR HA 1 21 SER HB3 4.000 . 5.000 4.710 4.484 5.060 0.060 9 0 "[ . 1 . ]" 1
229 1 20 TYR HA 1 22 ASN H 4.000 . 5.000 4.272 4.163 4.844 . 0 0 "[ . 1 . ]" 1
230 1 20 TYR HB2 1 21 SER H 4.000 . 5.000 4.078 3.306 4.157 . 0 0 "[ . 1 . ]" 1
231 1 20 TYR HB2 1 22 ASN H 4.000 . 5.000 4.256 4.041 4.422 . 0 0 "[ . 1 . ]" 1
232 1 20 TYR HB2 1 26 MET H 4.000 . 5.000 4.950 4.868 5.067 0.067 9 0 "[ . 1 . ]" 1
233 1 20 TYR HB2 1 26 MET HG2 4.000 . 5.000 2.781 2.670 2.965 . 0 0 "[ . 1 . ]" 1
234 1 20 TYR HB3 1 21 SER H 4.000 . 5.000 2.945 1.860 3.077 . 0 0 "[ . 1 . ]" 1
235 1 20 TYR HB3 1 22 ASN H 4.000 . 5.000 2.966 2.731 3.090 . 0 0 "[ . 1 . ]" 1
236 1 20 TYR HB3 1 25 GLU H 5.000 2.800 6.000 5.112 4.985 5.496 . 0 0 "[ . 1 . ]" 1
237 1 20 TYR HB3 1 25 GLU HB2 3.000 . 4.000 3.234 3.085 3.371 . 0 0 "[ . 1 . ]" 1
238 1 20 TYR HB3 1 25 GLU HB3 3.000 . 4.000 3.883 3.784 3.941 . 0 0 "[ . 1 . ]" 1
239 1 20 TYR HB3 1 26 MET H 4.000 . 5.000 3.757 3.655 4.217 . 0 0 "[ . 1 . ]" 1
240 1 20 TYR HB3 1 26 MET HG2 5.000 2.800 6.000 2.876 2.746 3.036 0.054 4 0 "[ . 1 . ]" 1
241 1 20 TYR QD 1 21 SER H 4.000 . 5.000 3.603 3.144 3.828 . 0 0 "[ . 1 . ]" 1
242 1 20 TYR QD 1 22 ASN H 5.000 2.800 6.000 4.426 4.263 4.531 . 0 0 "[ . 1 . ]" 1
243 1 20 TYR QD 1 25 GLU H 5.000 2.800 6.000 5.593 5.480 5.782 . 0 0 "[ . 1 . ]" 1
244 1 20 TYR QD 1 25 GLU HA 4.000 . 5.000 5.022 4.945 5.066 0.066 14 0 "[ . 1 . ]" 1
245 1 20 TYR QD 1 25 GLU HB2 5.000 2.800 6.000 3.592 3.474 3.717 . 0 0 "[ . 1 . ]" 1
246 1 20 TYR QD 1 25 GLU HB3 4.000 . 5.000 3.009 2.902 3.052 . 0 0 "[ . 1 . ]" 1
247 1 20 TYR QD 1 25 GLU HG3 4.000 . 5.000 5.035 4.841 5.104 0.104 13 0 "[ . 1 . ]" 1
248 1 20 TYR QD 1 26 MET HA 4.000 . 5.000 3.178 2.923 3.449 . 0 0 "[ . 1 . ]" 1
249 1 20 TYR QD 1 26 MET QB 4.000 . 5.000 4.359 4.231 4.742 . 0 0 "[ . 1 . ]" 1
250 1 20 TYR QD 1 26 MET HG2 5.000 2.800 6.000 2.952 2.752 3.664 0.048 5 0 "[ . 1 . ]" 1
251 1 20 TYR QD 1 26 MET HG3 5.000 2.800 6.000 3.651 3.388 4.544 . 0 0 "[ . 1 . ]" 1
252 1 20 TYR QD 1 29 ALA MB 4.000 . 5.000 3.449 3.066 3.680 . 0 0 "[ . 1 . ]" 1
253 1 20 TYR QE 1 26 MET HA 4.000 . 5.000 3.438 3.188 3.777 . 0 0 "[ . 1 . ]" 1
254 1 20 TYR QE 1 26 MET HG2 5.000 2.800 6.000 3.943 3.704 5.067 . 0 0 "[ . 1 . ]" 1
255 1 20 TYR QE 1 26 MET HG3 5.000 2.800 6.000 4.981 4.744 5.743 . 0 0 "[ . 1 . ]" 1
256 1 20 TYR QE 1 29 ALA HA 4.000 . 5.000 4.794 4.367 4.964 . 0 0 "[ . 1 . ]" 1
257 1 20 TYR QE 1 29 ALA MB 3.000 . 3.500 2.223 2.037 2.349 . 0 0 "[ . 1 . ]" 1
258 1 21 SER H 1 22 ASN H 4.000 . 5.000 2.695 2.331 2.749 . 0 0 "[ . 1 . ]" 1
259 1 21 SER H 1 22 ASN HA 5.000 2.800 6.000 5.170 4.762 5.227 . 0 0 "[ . 1 . ]" 1
260 1 21 SER H 1 25 GLU H 5.000 2.800 6.000 5.758 5.446 5.885 . 0 0 "[ . 1 . ]" 1
261 1 21 SER H 1 25 GLU HB2 4.000 . 5.000 3.523 3.165 3.627 . 0 0 "[ . 1 . ]" 1
262 1 21 SER H 1 25 GLU HB3 5.000 2.800 6.000 3.794 3.506 3.888 . 0 0 "[ . 1 . ]" 1
263 1 21 SER H 1 25 GLU HG3 5.000 2.800 6.000 3.737 3.628 3.828 . 0 0 "[ . 1 . ]" 1
264 1 21 SER HA 1 22 ASN H 4.000 . 5.000 3.580 3.557 3.590 . 0 0 "[ . 1 . ]" 1
265 1 21 SER HA 1 22 ASN HA 4.000 . 5.000 4.589 4.568 4.620 . 0 0 "[ . 1 . ]" 1
266 1 21 SER HB2 1 22 ASN H 4.000 . 5.000 3.871 3.027 3.961 . 0 0 "[ . 1 . ]" 1
267 1 21 SER HB2 1 22 ASN HD22 5.000 2.800 6.000 5.099 3.553 5.563 . 0 0 "[ . 1 . ]" 1
268 1 21 SER HB3 1 22 ASN H 4.000 . 5.000 2.770 2.523 4.084 . 0 0 "[ . 1 . ]" 1
269 1 22 ASN H 1 23 SER H 5.000 2.800 6.000 4.398 4.382 4.419 . 0 0 "[ . 1 . ]" 1
270 1 22 ASN H 1 25 GLU H 4.000 . 5.000 3.613 3.458 3.723 . 0 0 "[ . 1 . ]" 1
271 1 22 ASN H 1 25 GLU HA 4.000 . 5.000 5.118 5.027 5.252 0.252 6 0 "[ . 1 . ]" 1
272 1 22 ASN H 1 25 GLU HB2 4.000 . 5.000 2.175 2.041 2.289 . 0 0 "[ . 1 . ]" 1
273 1 22 ASN H 1 25 GLU HB3 4.000 . 5.000 3.626 3.476 3.737 . 0 0 "[ . 1 . ]" 1
274 1 22 ASN H 1 25 GLU HG2 5.000 2.800 6.000 3.699 3.504 3.830 . 0 0 "[ . 1 . ]" 1
275 1 22 ASN H 1 25 GLU HG3 4.000 . 5.000 3.139 3.012 3.415 . 0 0 "[ . 1 . ]" 1
276 1 22 ASN HA 1 23 SER H 3.000 . 3.500 2.451 2.415 2.526 . 0 0 "[ . 1 . ]" 1
277 1 22 ASN HA 1 23 SER HB2 4.000 . 5.000 4.758 4.581 4.847 . 0 0 "[ . 1 . ]" 1
278 1 22 ASN HA 1 24 CYS H 5.000 2.800 6.000 4.410 4.094 4.620 . 0 0 "[ . 1 . ]" 1
279 1 22 ASN HA 1 25 GLU H 5.000 2.800 6.000 4.768 4.644 4.849 . 0 0 "[ . 1 . ]" 1
280 1 22 ASN HB2 1 23 SER H 3.000 . 3.500 2.434 2.165 3.026 . 0 0 "[ . 1 . ]" 1
281 1 22 ASN HB2 1 24 CYS H 4.000 . 5.000 2.880 2.293 3.139 . 0 0 "[ . 1 . ]" 1
282 1 22 ASN HB3 1 23 SER H 4.000 . 5.000 3.514 2.686 3.734 . 0 0 "[ . 1 . ]" 1
283 1 22 ASN HB3 1 24 CYS H 4.000 . 5.000 4.301 3.263 4.628 . 0 0 "[ . 1 . ]" 1
284 1 22 ASN HD21 1 25 GLU H 5.000 2.800 6.000 4.250 3.234 4.508 . 0 0 "[ . 1 . ]" 1
285 1 22 ASN HD21 1 25 GLU HA 5.000 2.800 6.000 5.992 4.924 6.281 0.281 13 0 "[ . 1 . ]" 1
286 1 22 ASN HD21 1 25 GLU HB3 5.000 2.800 6.000 5.730 4.971 6.018 0.018 11 0 "[ . 1 . ]" 1
287 1 22 ASN HD22 1 25 GLU HA 5.000 2.800 6.000 5.073 4.752 6.144 0.144 5 0 "[ . 1 . ]" 1
288 1 22 ASN HD22 1 25 GLU HG3 5.000 2.800 6.000 2.963 2.749 3.375 0.051 9 0 "[ . 1 . ]" 1
289 1 23 SER H 1 23 SER HA 3.000 . 3.500 2.821 2.805 2.851 . 0 0 "[ . 1 . ]" 1
290 1 23 SER H 1 23 SER HB2 4.000 . 5.000 2.411 2.387 2.445 . 0 0 "[ . 1 . ]" 1
291 1 23 SER H 1 24 CYS H 4.000 . 5.000 2.727 2.542 2.789 . 0 0 "[ . 1 . ]" 1
292 1 23 SER H 1 25 GLU H 4.000 . 4.500 4.293 4.226 4.388 . 0 0 "[ . 1 . ]" 1
293 1 23 SER HA 1 24 CYS H 4.000 . 5.000 3.549 3.492 3.564 . 0 0 "[ . 1 . ]" 1
294 1 23 SER HA 1 25 GLU H 5.000 2.800 6.000 4.359 4.296 4.457 . 0 0 "[ . 1 . ]" 1
295 1 23 SER HA 1 26 MET H 4.000 . 5.000 3.093 3.003 3.305 . 0 0 "[ . 1 . ]" 1
296 1 23 SER HA 1 26 MET HA 4.000 . 5.000 4.892 4.791 5.045 0.045 10 0 "[ . 1 . ]" 1
297 1 23 SER HA 1 26 MET HB3 3.000 . 3.500 3.792 3.555 3.848 0.348 15 0 "[ . 1 . ]" 1
298 1 23 SER HA 1 26 MET HG2 4.000 . 5.000 4.037 3.362 4.247 . 0 0 "[ . 1 . ]" 1
299 1 23 SER HA 1 26 MET HG3 3.000 . 3.500 2.918 2.645 3.560 0.060 10 0 "[ . 1 . ]" 1
300 1 23 SER HA 1 27 GLN H 4.000 . 5.000 4.141 3.981 4.411 . 0 0 "[ . 1 . ]" 1
301 1 23 SER HB2 1 24 CYS H 3.000 . 3.500 3.230 2.800 3.806 0.306 15 0 "[ . 1 . ]" 1
302 1 23 SER HB3 1 24 CYS H 4.000 . 5.000 3.287 2.468 3.876 . 0 0 "[ . 1 . ]" 1
303 1 24 CYS H 1 24 CYS HA 3.000 . 3.500 2.813 2.798 2.835 . 0 0 "[ . 1 . ]" 1
304 1 24 CYS H 1 25 GLU HA 5.000 2.800 6.000 5.271 5.205 5.316 . 0 0 "[ . 1 . ]" 1
305 1 24 CYS H 1 25 GLU HB2 4.000 . 5.000 4.663 4.572 4.734 . 0 0 "[ . 1 . ]" 1
306 1 24 CYS H 1 25 GLU HG2 5.000 2.800 6.000 4.601 4.461 4.705 . 0 0 "[ . 1 . ]" 1
307 1 24 CYS H 1 26 MET H 4.000 . 4.500 3.937 3.827 4.001 . 0 0 "[ . 1 . ]" 1
308 1 24 CYS HA 1 24 CYS HB3 3.000 . 3.500 3.019 3.015 3.025 . 0 0 "[ . 1 . ]" 1
309 1 24 CYS HA 1 25 GLU H 4.000 . 5.000 3.516 3.506 3.528 . 0 0 "[ . 1 . ]" 1
310 1 24 CYS HA 1 26 MET H 5.000 2.800 6.000 4.294 4.223 4.374 . 0 0 "[ . 1 . ]" 1
311 1 24 CYS HA 1 27 GLN H 4.000 . 5.000 3.560 3.464 3.681 . 0 0 "[ . 1 . ]" 1
312 1 24 CYS HA 1 27 GLN HB2 3.000 . 3.500 3.092 2.929 3.317 . 0 0 "[ . 1 . ]" 1
313 1 24 CYS HA 1 27 GLN HB3 4.000 . 5.000 4.772 4.576 5.015 0.015 5 0 "[ . 1 . ]" 1
314 1 24 CYS HB2 1 25 GLU H 3.000 . 3.500 3.736 3.682 3.768 0.268 7 0 "[ . 1 . ]" 1
315 1 24 CYS HB3 1 25 GLU H 3.000 . 3.500 2.390 2.297 2.426 . 0 0 "[ . 1 . ]" 1
316 1 25 GLU H 1 25 GLU HA 3.000 . 3.500 2.808 2.790 2.819 . 0 0 "[ . 1 . ]" 1
317 1 25 GLU H 1 25 GLU HB3 4.000 . 5.000 3.583 3.576 3.588 . 0 0 "[ . 1 . ]" 1
318 1 25 GLU H 1 26 MET H 3.000 . 3.500 2.646 2.635 2.666 . 0 0 "[ . 1 . ]" 1
319 1 25 GLU H 1 26 MET HG2 5.000 2.800 6.000 5.901 4.600 6.063 0.063 7 0 "[ . 1 . ]" 1
320 1 25 GLU H 1 27 GLN H 4.000 . 4.500 4.323 4.200 4.579 0.079 10 0 "[ . 1 . ]" 1
321 1 25 GLU H 1 28 ARG H 5.000 2.800 5.500 4.651 4.519 4.774 . 0 0 "[ . 1 . ]" 1
322 1 25 GLU HA 1 26 MET H 4.000 . 5.000 3.529 3.502 3.538 . 0 0 "[ . 1 . ]" 1
323 1 25 GLU HA 1 27 GLN H 5.000 2.800 6.000 4.485 4.346 4.750 . 0 0 "[ . 1 . ]" 1
324 1 25 GLU HA 1 28 ARG H 4.000 . 5.000 3.371 3.245 3.476 . 0 0 "[ . 1 . ]" 1
325 1 25 GLU HA 1 28 ARG HB2 3.000 . 3.500 3.156 2.958 3.477 . 0 0 "[ . 1 . ]" 1
326 1 25 GLU HA 1 28 ARG HB3 3.000 . 3.500 2.424 2.326 2.581 . 0 0 "[ . 1 . ]" 1
327 1 25 GLU HA 1 28 ARG QD 3.000 . 3.500 3.401 3.210 3.546 0.046 4 0 "[ . 1 . ]" 1
328 1 25 GLU HA 1 28 ARG HE 5.000 2.800 6.000 5.096 4.088 6.050 0.050 7 0 "[ . 1 . ]" 1
329 1 25 GLU HA 1 29 ALA H 5.000 2.800 6.000 3.655 3.353 3.970 . 0 0 "[ . 1 . ]" 1
330 1 25 GLU HB3 1 26 MET H 4.000 . 5.000 3.630 3.584 3.686 . 0 0 "[ . 1 . ]" 1
331 1 25 GLU HG2 1 26 MET H 5.000 2.800 6.000 4.453 4.380 4.521 . 0 0 "[ . 1 . ]" 1
332 1 26 MET H 1 27 GLN H 3.000 . 3.500 2.751 2.679 2.919 . 0 0 "[ . 1 . ]" 1
333 1 26 MET HA 1 27 GLN H 4.000 . 5.000 3.560 3.544 3.572 . 0 0 "[ . 1 . ]" 1
334 1 26 MET HA 1 28 ARG H 5.000 2.800 6.000 4.569 4.452 4.709 . 0 0 "[ . 1 . ]" 1
335 1 26 MET HA 1 29 ALA H 4.000 . 5.000 3.789 3.519 3.944 . 0 0 "[ . 1 . ]" 1
336 1 26 MET HA 1 29 ALA MB 3.000 . 3.500 2.991 2.600 3.121 . 0 0 "[ . 1 . ]" 1
337 1 26 MET HB2 1 27 GLN H 4.000 . 5.000 2.592 2.498 2.976 . 0 0 "[ . 1 . ]" 1
338 1 26 MET HB3 1 27 GLN H 4.000 . 5.000 3.344 2.442 3.526 . 0 0 "[ . 1 . ]" 1
339 1 26 MET HG2 1 27 GLN H 4.000 . 5.000 4.938 4.444 5.012 0.012 15 0 "[ . 1 . ]" 1
340 1 26 MET HG3 1 27 GLN H 4.000 2.800 5.000 4.475 4.358 5.023 0.023 4 0 "[ . 1 . ]" 1
341 1 27 GLN H 1 28 ARG H 3.000 . 3.500 2.565 2.503 2.644 . 0 0 "[ . 1 . ]" 1
342 1 27 GLN H 1 29 ALA H 5.000 2.800 6.000 4.205 3.937 4.332 . 0 0 "[ . 1 . ]" 1
343 1 27 GLN H 1 30 ARG H 5.000 2.800 6.000 4.980 4.781 5.176 . 0 0 "[ . 1 . ]" 1
344 1 27 GLN HA 1 30 ARG H 4.000 . 5.000 3.718 3.555 3.873 . 0 0 "[ . 1 . ]" 1
345 1 27 GLN HA 1 30 ARG HD2 4.000 3.800 5.000 4.307 3.747 5.005 0.053 12 0 "[ . 1 . ]" 1
346 1 27 GLN HA 1 30 ARG HG3 4.000 2.800 5.000 4.202 3.924 4.596 . 0 0 "[ . 1 . ]" 1
347 1 27 GLN HB2 1 28 ARG H 3.000 . 3.500 2.625 2.574 2.670 . 0 0 "[ . 1 . ]" 1
348 1 27 GLN HB3 1 28 ARG H 4.000 . 5.000 3.560 3.499 3.601 . 0 0 "[ . 1 . ]" 1
349 1 28 ARG H 1 28 ARG HB2 3.000 . 3.500 2.420 2.339 2.514 . 0 0 "[ . 1 . ]" 1
350 1 28 ARG H 1 28 ARG HB3 3.000 . 3.500 2.603 2.519 2.667 . 0 0 "[ . 1 . ]" 1
351 1 28 ARG H 1 29 ALA H 3.000 . 3.500 2.720 2.545 2.812 . 0 0 "[ . 1 . ]" 1
352 1 28 ARG H 1 29 ALA MB 4.000 . 5.000 4.364 4.217 4.434 . 0 0 "[ . 1 . ]" 1
353 1 28 ARG H 1 30 ARG H 4.000 . 5.000 4.322 4.212 4.477 . 0 0 "[ . 1 . ]" 1
354 1 28 ARG H 1 31 CYS H 4.000 . 5.000 4.663 4.529 4.856 . 0 0 "[ . 1 . ]" 1
355 1 28 ARG HA 1 29 ALA H 4.000 . 5.000 3.546 3.513 3.561 . 0 0 "[ . 1 . ]" 1
356 1 28 ARG HA 1 31 CYS H 3.000 . 4.000 3.498 3.227 3.663 . 0 0 "[ . 1 . ]" 1
357 1 28 ARG HA 1 31 CYS HB3 3.000 . 3.500 3.151 2.394 3.839 0.339 14 0 "[ . 1 . ]" 1
358 1 28 ARG HA 1 32 LEU H 4.000 . 5.000 4.002 3.598 4.477 . 0 0 "[ . 1 . ]" 1
359 1 28 ARG HB2 1 29 ALA H 3.000 . 3.500 3.708 3.636 3.773 0.273 14 0 "[ . 1 . ]" 1
360 1 28 ARG QD 1 29 ALA H 4.000 . 5.000 4.479 4.316 4.734 . 0 0 "[ . 1 . ]" 1
361 1 28 ARG HE 1 32 LEU MD1 4.000 . 5.000 4.986 4.632 5.120 0.120 2 0 "[ . 1 . ]" 1
362 1 29 ALA H 1 31 CYS H 4.000 . 4.500 4.051 3.970 4.115 . 0 0 "[ . 1 . ]" 1
363 1 29 ALA HA 1 31 CYS H 4.000 . 5.000 4.403 4.288 4.547 . 0 0 "[ . 1 . ]" 1
364 1 29 ALA HA 1 32 LEU H 3.000 . 3.500 3.522 3.343 3.587 0.087 13 0 "[ . 1 . ]" 1
365 1 29 ALA HA 1 32 LEU MD2 4.000 . 5.000 4.679 3.240 5.052 0.052 9 0 "[ . 1 . ]" 1
366 1 30 ARG H 1 31 CYS H 3.000 . 3.500 2.559 2.502 2.602 . 0 0 "[ . 1 . ]" 1
367 1 30 ARG H 1 31 CYS HA 5.000 2.800 6.000 5.201 5.150 5.226 . 0 0 "[ . 1 . ]" 1
368 1 30 ARG H 1 31 CYS HB3 5.000 2.800 6.000 5.379 4.743 6.025 0.025 14 0 "[ . 1 . ]" 1
369 1 30 ARG H 1 32 LEU H 4.000 . 5.000 4.147 3.830 4.274 . 0 0 "[ . 1 . ]" 1
370 1 30 ARG HA 1 31 CYS H 4.000 . 5.000 3.515 3.506 3.525 . 0 0 "[ . 1 . ]" 1
371 1 30 ARG HA 1 32 LEU H 4.000 2.800 5.000 4.407 4.188 4.582 . 0 0 "[ . 1 . ]" 1
372 1 30 ARG HA 1 33 ARG H 3.000 . 4.000 3.467 3.344 3.695 . 0 0 "[ . 1 . ]" 1
373 1 30 ARG HA 1 33 ARG HB2 3.000 . 3.500 3.173 2.756 3.521 0.021 10 0 "[ . 1 . ]" 1
374 1 30 ARG HB2 1 31 CYS H 4.000 . 5.000 2.685 2.619 2.772 . 0 0 "[ . 1 . ]" 1
375 1 30 ARG HB3 1 31 CYS H 4.000 . 5.000 3.616 3.553 3.664 . 0 0 "[ . 1 . ]" 1
376 1 30 ARG HG2 1 33 ARG HE 4.000 2.800 5.000 4.259 3.385 5.048 0.048 5 0 "[ . 1 . ]" 1
377 1 31 CYS H 1 32 LEU H 3.000 . 3.500 2.682 2.502 2.745 . 0 0 "[ . 1 . ]" 1
378 1 31 CYS HA 1 32 LEU H 4.000 . 5.000 3.549 3.494 3.567 . 0 0 "[ . 1 . ]" 1
379 1 31 CYS HB2 1 32 LEU H 4.000 . 5.000 3.315 2.622 3.829 . 0 0 "[ . 1 . ]" 1
380 1 31 CYS HB3 1 32 LEU H 4.000 . 5.000 2.908 2.459 3.660 . 0 0 "[ . 1 . ]" 1
381 1 32 LEU H 1 33 ARG H 4.000 . 4.500 2.645 2.585 2.682 . 0 0 "[ . 1 . ]" 1
382 1 32 LEU HA 1 33 ARG H 3.000 . 4.000 3.533 3.516 3.548 . 0 0 "[ . 1 . ]" 1
383 1 32 LEU HB2 1 33 ARG H 4.000 . 5.000 2.912 2.593 3.954 . 0 0 "[ . 1 . ]" 1
384 1 32 LEU HB3 1 33 ARG H 4.000 2.800 5.000 3.436 2.689 3.688 0.111 10 0 "[ . 1 . ]" 1
385 1 33 ARG HA 1 34 GLY H 3.000 . 4.000 3.209 2.168 3.553 . 0 0 "[ . 1 . ]" 1
386 1 33 ARG HB2 1 34 GLY H 4.000 2.800 5.000 3.630 2.723 4.257 0.077 5 0 "[ . 1 . ]" 1
387 1 33 ARG HB3 1 34 GLY H 4.000 . 5.000 3.046 2.496 4.109 . 0 0 "[ . 1 . ]" 1
388 1 33 ARG HG3 1 34 GLY H 5.000 2.800 6.000 4.453 3.052 4.948 . 0 0 "[ . 1 . ]" 1
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