NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412696 |
2bl6   |
7352 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2bl6
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 545
_Distance_constraint_stats_list.Viol_count 694
_Distance_constraint_stats_list.Viol_total 3768.866
_Distance_constraint_stats_list.Viol_max 0.970
_Distance_constraint_stats_list.Viol_rms 0.0512
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.1810
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 0.831 0.271 30 0 "[ . 1 . 2 . 3]"
1 3 CYS 1.827 0.220 30 0 "[ . 1 . 2 . 3]"
1 4 TYR 8.246 0.623 16 1 "[ . 1 .+ 2 . 3]"
1 5 ASN 0.336 0.098 1 0 "[ . 1 . 2 . 3]"
1 6 CYS 0.071 0.051 11 0 "[ . 1 . 2 . 3]"
1 7 GLY 1.374 0.207 30 0 "[ . 1 . 2 . 3]"
1 8 LYS 23.759 0.970 23 12 "[* .* 1* *** - 2* + * **]"
1 9 PRO 32.435 0.562 18 22 "[ ********* ** .**+***- *.*** 3]"
1 10 GLY 52.827 0.970 23 30 [*********************-+*******]
1 11 HIS 28.441 0.896 29 12 "[* .* 1* *** - 2* * * +*]"
1 12 LEU 0.828 0.087 16 0 "[ . 1 . 2 . 3]"
1 13 SER 0.849 0.228 26 0 "[ . 1 . 2 . 3]"
1 14 SER 2.561 0.428 5 0 "[ . 1 . 2 . 3]"
1 15 GLN 3.337 0.428 5 0 "[ . 1 . 2 . 3]"
1 16 CYS 0.308 0.116 20 0 "[ . 1 . 2 . 3]"
1 17 ARG 1.263 0.228 26 0 "[ . 1 . 2 . 3]"
1 18 ALA 0.396 0.079 15 0 "[ . 1 . 2 . 3]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 VAL 2.720 0.227 1 0 "[ . 1 . 2 . 3]"
1 22 CYS 8.669 0.184 1 0 "[ . 1 . 2 . 3]"
1 23 PHE 10.852 0.623 16 1 "[ . 1 .+ 2 . 3]"
1 24 LYS 4.816 0.203 2 0 "[ . 1 . 2 . 3]"
1 25 CYS 5.188 0.372 14 0 "[ . 1 . 2 . 3]"
1 26 LYS 9.602 0.372 14 0 "[ . 1 . 2 . 3]"
1 27 GLN 10.635 0.250 19 0 "[ . 1 . 2 . 3]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 30 HIS 2.110 0.163 29 0 "[ . 1 . 2 . 3]"
1 31 PHE 3.583 0.227 1 0 "[ . 1 . 2 . 3]"
1 32 SER 1.880 0.163 29 0 "[ . 1 . 2 . 3]"
1 33 LYS 1.984 0.202 4 0 "[ . 1 . 2 . 3]"
1 34 GLN 9.606 0.394 18 0 "[ . 1 . 2 . 3]"
1 35 CYS 3.528 0.265 22 0 "[ . 1 . 2 . 3]"
1 36 ARG 0.884 0.155 24 0 "[ . 1 . 2 . 3]"
1 37 SER 7.371 0.394 18 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR H 1 2 THR HB . . 2.800 2.681 2.538 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 THR H 1 2 THR MG . . 4.700 3.760 3.697 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 2 THR H 1 20 LYS H . . 5.200 4.663 3.657 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 THR HA 1 2 THR MG . . 3.400 2.382 2.327 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 THR HA 1 3 CYS H . . 2.500 2.171 2.117 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 THR HA 1 3 CYS HA . . 4.700 4.354 4.295 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 THR HA 1 3 CYS HB2 . . 4.600 4.245 4.209 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 THR HA 1 3 CYS HB3 . . 5.200 4.762 4.658 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 THR HA 1 8 LYS H . . 5.100 4.345 3.888 5.371 0.271 30 0 "[ . 1 . 2 . 3]" 1
10 1 2 THR HA 1 9 PRO HA . . 2.400 2.234 2.163 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 2 THR HB 1 3 CYS H . . 4.300 4.046 3.975 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 THR MG 1 3 CYS H . . 3.600 2.563 2.435 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 THR MG 1 7 GLY HA3 . . 5.100 2.789 2.415 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 2 THR MG 1 8 LYS H . . 4.500 3.154 2.752 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 THR MG 1 9 PRO HD3 . . 5.000 3.417 3.027 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 3 CYS H 1 3 CYS HA . . 3.100 2.784 2.755 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 3 CYS H 1 3 CYS HB2 . . 2.500 2.210 2.187 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 CYS H 1 3 CYS HB3 . . 2.900 2.644 2.605 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 CYS H 1 4 TYR H . . 4.900 4.665 4.646 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 CYS H 1 7 GLY H . . 5.000 4.254 3.931 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 CYS H 1 8 LYS H . . 3.500 2.980 2.675 3.647 0.147 30 0 "[ . 1 . 2 . 3]" 1
22 1 3 CYS H 1 11 HIS HE1 . . 5.200 5.168 5.063 5.269 0.069 17 0 "[ . 1 . 2 . 3]" 1
23 1 3 CYS H 1 20 LYS H . . 5.000 4.705 4.672 4.742 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 CYS HA 1 3 CYS HB2 . . 2.900 2.557 2.544 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 CYS HA 1 4 TYR H . . 2.500 2.252 2.207 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 CYS HA 1 4 TYR HD1 . . 4.000 3.748 3.606 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 CYS HA 1 6 CYS H . . 4.900 4.529 4.477 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 CYS HA 1 8 LYS H . . 5.200 5.047 4.817 5.420 0.220 30 0 "[ . 1 . 2 . 3]" 1
29 1 3 CYS HA 1 11 HIS HD2 . . 4.400 3.529 3.064 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 3 CYS HB2 1 4 TYR H . . 4.400 4.124 4.095 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 3 CYS HB2 1 6 CYS HB2 . . 3.000 2.540 2.449 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 3 CYS HB2 1 8 LYS H . . 3.500 3.033 2.879 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 3 CYS HB2 1 11 HIS HD2 . . 3.700 3.344 3.096 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 3 CYS HB3 1 4 TYR H . . 3.900 3.811 3.740 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 3 CYS HB3 1 4 TYR HA . . 5.200 4.986 4.918 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 3 CYS HB3 1 4 TYR HD1 . . 5.200 4.807 4.685 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 3 CYS HB3 1 5 ASN HB3 . . 5.200 4.650 4.476 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 3 CYS HB3 1 7 GLY H . . 2.800 2.246 1.974 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 3 CYS HB3 1 11 HIS HD2 . . 5.200 4.780 4.526 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 3 CYS HB3 1 11 HIS HE1 . . 5.100 4.763 4.633 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 TYR H 1 4 TYR HB2 . . 3.900 3.594 3.582 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 TYR H 1 4 TYR HB3 . . 2.700 2.418 2.387 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 TYR H 1 4 TYR HD1 . . 2.600 2.016 1.921 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 TYR H 1 5 ASN H . . 2.800 2.626 2.557 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 TYR H 1 5 ASN HB2 . . 5.200 4.951 4.842 5.103 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 TYR H 1 5 ASN HB3 . . 5.000 4.532 4.361 4.841 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 4 TYR H 1 16 CYS HB2 . . 4.700 4.131 3.984 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 4 TYR H 1 18 ALA H . . 4.700 4.388 4.165 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 4 TYR H 1 20 LYS H . . 4.100 3.747 3.603 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 4 TYR HA 1 4 TYR HB2 . . 2.500 2.276 2.253 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 4 TYR HA 1 4 TYR HB3 . . 2.900 2.591 2.571 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 4 TYR HA 1 4 TYR HD1 . . 4.600 4.126 4.078 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 4 TYR HA 1 5 ASN H . . 3.700 3.433 3.407 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 4 TYR HA 1 20 LYS QB . . 4.300 3.186 2.469 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 4 TYR HA 1 20 LYS QD . . 5.200 3.687 2.083 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 4 TYR HA 1 20 LYS QG . . 4.900 3.323 2.394 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 4 TYR HB2 1 5 ASN H . . 4.700 4.322 4.262 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 4 TYR HB2 1 20 LYS H . . 5.300 5.174 4.930 5.290 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 4 TYR HB2 1 20 LYS HA . . 3.500 3.170 2.890 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 4 TYR HB3 1 4 TYR HD1 . . 3.100 2.842 2.760 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 4 TYR HB3 1 5 ASN H . . 4.400 4.142 4.057 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 4 TYR HB3 1 18 ALA HA . . 5.200 5.158 4.978 5.279 0.079 15 0 "[ . 1 . 2 . 3]" 1
63 1 4 TYR HB3 1 20 LYS HA . . 3.500 3.128 2.891 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 4 TYR QD 1 5 ASN HB2 . . 3.900 3.483 3.299 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 4 TYR QD 1 5 ASN HB3 . . 3.800 3.418 3.322 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 4 TYR HD1 1 5 ASN HA . . 5.200 5.153 5.058 5.298 0.098 1 0 "[ . 1 . 2 . 3]" 1
67 1 4 TYR HD1 1 5 ASN HB2 . . 4.100 3.862 3.760 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 4 TYR HD1 1 5 ASN HB3 . . 4.100 3.463 3.350 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 4 TYR HD1 1 16 CYS HB3 . . 3.600 2.888 2.715 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 4 TYR HD1 1 17 ARG H . . 4.800 4.539 4.224 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 4 TYR HE2 1 17 ARG QD . . 5.100 4.493 3.894 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 4 TYR HE2 1 23 PHE HA . . 4.500 3.962 3.816 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 4 TYR HE2 1 23 PHE HB2 . . 3.200 2.879 2.736 3.293 0.093 16 0 "[ . 1 . 2 . 3]" 1
74 1 4 TYR HE2 1 23 PHE HB3 . . 4.000 4.247 4.067 4.623 0.623 16 1 "[ . 1 .+ 2 . 3]" 1
75 1 5 ASN H 1 5 ASN HB2 . . 3.400 3.142 3.098 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 5 ASN H 1 5 ASN HB3 . . 3.000 2.539 2.444 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 5 ASN H 1 6 CYS H . . 2.400 2.138 2.113 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 5 ASN HA 1 5 ASN HB2 . . 2.700 2.436 2.405 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 6 CYS H 1 6 CYS HA . . 3.100 2.854 2.841 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 6 CYS H 1 6 CYS HB2 . . 2.800 2.496 2.475 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 6 CYS H 1 6 CYS HB3 . . 3.900 3.541 3.524 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 6 CYS H 1 7 GLY H . . 3.000 2.773 2.693 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 6 CYS H 1 8 LYS H . . 4.700 4.293 4.122 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 6 CYS HA 1 6 CYS HB3 . . 2.700 2.441 2.432 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 6 CYS HA 1 7 GLY HA2 . . 5.000 4.690 4.644 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 6 CYS HB2 1 7 GLY H . . 3.500 3.353 3.097 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 6 CYS HB2 1 11 HIS HD2 . . 5.200 4.684 4.629 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 6 CYS HB3 1 7 GLY H . . 4.500 4.231 4.064 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 6 CYS HB3 1 11 HIS HE1 . . 3.600 3.187 2.957 3.651 0.051 11 0 "[ . 1 . 2 . 3]" 1
90 1 7 GLY H 1 7 GLY HA2 . . 3.100 2.836 2.807 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 7 GLY H 1 7 GLY HA3 . . 2.600 2.299 2.291 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 7 GLY H 1 8 LYS H . . 2.900 2.829 2.681 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 7 GLY HA2 1 8 LYS H . . 3.700 3.499 3.353 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 7 GLY HA3 1 8 LYS H . . 3.100 3.016 2.737 3.307 0.207 30 0 "[ . 1 . 2 . 3]" 1
95 1 8 LYS H 1 8 LYS HB2 . . 3.300 2.657 2.142 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 8 LYS H 1 8 LYS HB3 . . 4.000 2.949 2.488 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 8 LYS H 1 8 LYS HG3 . . 5.000 4.416 4.181 4.848 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 8 LYS H 1 9 PRO HD2 . . 5.300 5.106 4.886 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 8 LYS H 1 9 PRO HD3 . . 5.200 4.525 4.194 5.142 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 8 LYS H 1 11 HIS HE1 . . 5.000 4.375 3.876 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 8 LYS HA 1 8 LYS QD . . 4.700 2.704 2.136 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 8 LYS HA 1 8 LYS HG3 . . 4.100 2.929 2.428 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 8 LYS HA 1 8 LYS QZ . . 5.100 4.028 3.429 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 8 LYS HA 1 9 PRO HD2 . . 2.700 2.436 2.202 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 8 LYS HA 1 9 PRO HD3 . . 2.800 2.234 2.093 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 8 LYS HB2 1 8 LYS QE . . 4.900 3.247 1.981 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 8 LYS HB2 1 11 HIS HE1 . . 4.600 3.168 2.352 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 8 LYS HB3 1 8 LYS QE . . 4.800 3.798 2.048 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 8 LYS HB3 1 10 GLY H . . 4.900 4.482 2.853 5.870 0.970 23 8 "[- . 1* ** 2 + * **]" 1
110 1 8 LYS HB3 1 11 HIS HB2 . . 4.300 4.761 4.471 5.196 0.896 29 12 "[* .* 1* *** - 2* * * +*]" 1
111 1 8 LYS HB3 1 11 HIS HE1 . . 4.100 2.769 2.416 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 8 LYS QE 1 9 PRO HD2 . . 4.900 3.836 2.425 4.709 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 8 LYS HG3 1 11 HIS HE1 . . 5.300 4.241 2.985 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 9 PRO HA 1 9 PRO HB3 . . 2.600 2.346 2.332 2.352 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 9 PRO HA 1 9 PRO HD2 . . 4.400 3.904 3.827 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 9 PRO HA 1 9 PRO HD3 . . 3.900 3.587 3.513 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 9 PRO HA 1 10 GLY H . . 3.000 3.336 2.711 3.562 0.562 18 22 "[ -******** ** .**+**** *.*** 3]" 1
118 1 9 PRO HA 1 11 HIS H . . 4.000 3.653 3.391 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 9 PRO HB2 1 9 PRO HD2 . . 4.400 3.180 2.831 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 9 PRO HB2 1 9 PRO HD3 . . 4.200 3.854 3.822 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 9 PRO HB2 1 10 GLY H . . 2.400 2.641 2.126 2.847 0.447 3 0 "[ . 1 . 2 . 3]" 1
122 1 9 PRO HB2 1 11 HIS H . . 5.200 4.876 4.596 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 9 PRO HB3 1 9 PRO HD2 . . 4.100 3.874 3.805 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 9 PRO HB3 1 9 PRO HD3 . . 4.400 3.789 2.848 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 9 PRO HB3 1 10 GLY H . . 3.600 3.929 3.437 4.118 0.518 13 10 "[ * .* * 1 + . * 2*- *.* * 3]" 1
126 1 9 PRO HD2 1 9 PRO QG . . 2.800 2.260 2.197 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 9 PRO HD3 1 9 PRO QG . . 2.800 2.218 2.194 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 9 PRO QG 1 10 GLY H . . 4.800 3.998 3.573 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 10 GLY H 1 10 GLY HA3 . . 3.100 2.722 2.309 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 10 GLY H 1 11 HIS H . . 3.000 3.168 2.692 3.434 0.434 8 0 "[ . 1 . 2 . 3]" 1
131 1 10 GLY H 1 11 HIS HB2 . . 4.600 4.805 4.467 4.973 0.373 17 0 "[ . 1 . 2 . 3]" 1
132 1 10 GLY HA2 1 11 HIS H . . 3.700 3.546 3.503 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 10 GLY HA2 1 15 GLN QE . . 4.500 3.909 3.797 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 10 GLY HA3 1 11 HIS H . . 3.000 2.945 2.853 3.103 0.103 17 0 "[ . 1 . 2 . 3]" 1
135 1 11 HIS H 1 11 HIS HB2 . . 2.700 2.334 2.220 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 11 HIS H 1 11 HIS HB3 . . 3.800 3.538 3.493 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 11 HIS H 1 12 LEU H . . 4.800 4.508 4.479 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 11 HIS H 1 12 LEU HG . . 5.200 4.650 4.293 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 11 HIS HA 1 11 HIS HB3 . . 3.000 2.681 2.649 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 11 HIS HA 1 11 HIS HD2 . . 4.800 3.602 3.515 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 11 HIS HA 1 12 LEU H . . 2.500 2.216 2.134 2.325 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 11 HIS HA 1 15 GLN H . . 5.000 4.647 4.483 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 11 HIS HA 1 15 GLN QE . . 4.500 2.948 2.669 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 11 HIS HB2 1 11 HIS HD2 . . 4.000 3.712 3.660 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 11 HIS HB2 1 11 HIS HE1 . . 5.200 4.919 4.901 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 11 HIS HB2 1 12 LEU H . . 4.200 3.934 3.741 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 11 HIS HB2 1 15 GLN HB3 . . 5.200 4.540 4.400 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 11 HIS HB2 1 19 PRO HB3 . . 5.000 4.588 4.337 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 11 HIS HB3 1 11 HIS HD2 . . 2.900 2.574 2.561 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 11 HIS HB3 1 12 LEU H . . 2.900 2.615 2.341 2.918 0.018 11 0 "[ . 1 . 2 . 3]" 1
151 1 11 HIS HB3 1 19 PRO HB3 . . 5.300 3.924 3.655 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 11 HIS HD2 1 12 LEU H . . 5.100 3.453 3.340 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 11 HIS HD2 1 15 GLN HB2 . . 5.000 4.322 4.217 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 11 HIS HD2 1 15 GLN HB3 . . 3.900 2.597 2.470 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 11 HIS HD2 1 15 GLN QG . . 4.200 3.138 2.982 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 11 HIS HD2 1 16 CYS HA . . 5.000 4.401 4.230 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 11 HIS HD2 1 16 CYS HB2 . . 2.700 2.101 2.031 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 12 LEU H 1 12 LEU HB2 . . 3.100 2.798 2.774 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 12 LEU H 1 12 LEU QB . . 3.500 2.735 2.714 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 12 LEU H 1 12 LEU HB3 . . 4.100 3.854 3.845 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 12 LEU H 1 12 LEU QD . . 5.200 3.798 3.770 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 12 LEU H 1 12 LEU HG . . 3.800 3.556 3.486 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 12 LEU H 1 13 SER H . . 4.700 4.335 4.321 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 12 LEU H 1 15 GLN H . . 4.500 2.997 2.895 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 12 LEU H 1 15 GLN QE . . 5.000 4.411 4.143 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 12 LEU H 1 16 CYS H . . 4.700 3.392 3.272 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 12 LEU HA 1 12 LEU HB3 . . 2.800 2.563 2.548 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 12 LEU HA 1 12 LEU QD . . 3.200 2.187 2.169 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 12 LEU HA 1 12 LEU HG . . 3.400 3.168 3.135 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 12 LEU HA 1 13 SER H . . 2.500 2.460 2.409 2.523 0.023 10 0 "[ . 1 . 2 . 3]" 1
171 1 12 LEU HA 1 15 GLN H . . 5.000 4.562 4.452 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 12 LEU QB 1 12 LEU QD . . 2.900 1.943 1.941 1.946 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 12 LEU QB 1 15 GLN H . . 4.000 2.882 2.497 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 12 LEU HB2 1 13 SER H . . 4.000 3.622 3.553 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 12 LEU HB2 1 14 SER H . . 4.000 2.681 2.588 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 12 LEU HB2 1 15 GLN H . . 3.300 2.966 2.542 3.382 0.082 5 0 "[ . 1 . 2 . 3]" 1
177 1 12 LEU HB2 1 15 GLN HA . . 5.100 4.842 4.443 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 12 LEU HB2 1 15 GLN HB2 . . 4.300 2.824 2.512 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 12 LEU HB2 1 15 GLN HB3 . . 4.100 3.788 3.600 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 12 LEU HB3 1 12 LEU QD . . 2.800 2.119 2.113 2.124 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 12 LEU HB3 1 13 SER H . . 2.800 2.402 2.302 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 12 LEU HB3 1 15 GLN H . . 4.200 3.934 3.649 4.247 0.047 5 0 "[ . 1 . 2 . 3]" 1
183 1 12 LEU HB3 1 15 GLN HB2 . . 5.100 4.519 4.222 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 12 LEU HB3 1 15 GLN HB3 . . 5.200 5.207 5.108 5.287 0.087 16 0 "[ . 1 . 2 . 3]" 1
185 1 12 LEU QD 1 12 LEU HG . . 2.200 1.915 1.914 1.917 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 12 LEU QD 1 13 SER H . . 4.600 3.285 3.202 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 12 LEU HG 1 13 SER H . . 5.200 4.892 4.827 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 12 LEU HG 1 15 GLN HB2 . . 5.200 4.133 3.693 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 12 LEU HG 1 15 GLN HB3 . . 5.200 4.957 4.705 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 13 SER H 1 13 SER HA . . 3.100 2.815 2.777 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 13 SER H 1 13 SER QB . . 3.200 2.475 2.149 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 13 SER H 1 14 SER H . . 3.400 2.879 2.739 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 13 SER HA 1 14 SER H . . 3.700 3.454 3.346 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 13 SER HA 1 14 SER HA . . 5.100 4.714 4.599 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 13 SER HA 1 17 ARG HA . . 5.200 4.765 3.887 5.428 0.228 26 0 "[ . 1 . 2 . 3]" 1
196 1 13 SER QB 1 14 SER H . . 4.100 3.212 2.858 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 14 SER H 1 14 SER QB . . 3.700 2.774 2.468 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 14 SER H 1 15 GLN H . . 2.300 2.326 2.015 2.728 0.428 5 0 "[ . 1 . 2 . 3]" 1
199 1 14 SER H 1 15 GLN HB2 . . 5.100 4.204 4.047 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 14 SER H 1 15 GLN HB3 . . 5.200 4.689 4.408 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 14 SER H 1 16 CYS H . . 4.800 4.133 3.707 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 14 SER HA 1 15 GLN H . . 3.700 3.387 3.278 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 14 SER HA 1 16 CYS H . . 5.100 4.602 4.102 5.023 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 14 SER QB 1 15 GLN H . . 4.600 3.808 3.485 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 14 SER HB2 1 15 GLN H . . 4.500 4.171 3.659 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 14 SER HB3 1 15 GLN H . . 4.700 4.410 4.348 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 15 GLN H 1 15 GLN HB2 . . 2.900 2.587 2.444 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 15 GLN H 1 15 GLN HB3 . . 2.800 2.671 2.580 2.807 0.007 5 0 "[ . 1 . 2 . 3]" 1
209 1 15 GLN H 1 16 CYS H . . 2.600 2.209 2.047 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 15 GLN H 1 16 CYS HB2 . . 5.200 4.897 4.657 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 15 GLN HA 1 15 GLN HB2 . . 2.800 2.611 2.575 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 15 GLN HA 1 15 GLN QE . . 4.900 4.126 4.007 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 15 GLN HA 1 16 CYS H . . 3.600 3.552 3.510 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 15 GLN HB2 1 16 CYS H . . 4.100 3.707 3.622 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 15 GLN HB3 1 16 CYS H . . 3.000 2.589 2.477 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 15 GLN HB3 1 16 CYS HB2 . . 4.500 3.836 3.600 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 15 GLN QG 1 16 CYS H . . 4.800 3.987 3.888 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 16 CYS H 1 16 CYS HB2 . . 2.900 2.807 2.707 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 16 CYS H 1 16 CYS HB3 . . 4.000 3.793 3.680 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 16 CYS H 1 17 ARG H . . 4.700 4.370 4.332 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 16 CYS HA 1 16 CYS HB3 . . 3.100 2.643 2.570 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 16 CYS HA 1 17 ARG H . . 2.700 2.502 2.400 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 16 CYS HA 1 17 ARG HE . . 4.700 4.015 3.331 4.816 0.116 20 0 "[ . 1 . 2 . 3]" 1
224 1 16 CYS HA 1 18 ALA H . . 5.000 4.535 4.454 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 16 CYS HB2 1 17 ARG H . . 4.100 3.648 3.495 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 16 CYS HB2 1 18 ALA H . . 4.200 3.498 3.334 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 16 CYS HB2 1 19 PRO HA . . 5.200 4.864 4.541 5.090 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 16 CYS HB3 1 17 ARG H . . 2.500 2.241 2.081 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 16 CYS HB3 1 17 ARG HA . . 5.200 4.657 4.591 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 17 ARG H 1 17 ARG QB . . 2.500 2.432 2.269 2.620 0.120 20 0 "[ . 1 . 2 . 3]" 1
231 1 17 ARG H 1 17 ARG QD . . 5.000 3.044 1.810 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 17 ARG H 1 17 ARG QG . . 4.800 2.932 2.545 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 17 ARG H 1 18 ALA H . . 3.300 2.919 2.857 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 17 ARG HA 1 17 ARG QD . . 4.900 4.050 3.721 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 17 ARG HA 1 17 ARG QG . . 3.800 2.396 2.294 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 17 ARG HA 1 18 ALA H . . 3.700 3.550 3.495 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 18 ALA H 1 18 ALA MB . . 3.600 2.786 2.731 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 18 ALA H 1 19 PRO HD2 . . 5.200 4.856 4.839 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 18 ALA H 1 19 PRO HD3 . . 5.200 4.874 4.759 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 18 ALA HA 1 19 PRO HD2 . . 2.700 2.359 2.323 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 18 ALA HA 1 19 PRO HD3 . . 2.900 2.581 2.452 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 18 ALA MB 1 19 PRO HD2 . . 3.400 2.253 2.220 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 18 ALA MB 1 19 PRO HD3 . . 4.700 3.535 3.513 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 18 ALA MB 1 22 CYS H . . 4.500 3.138 3.049 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 18 ALA MB 1 23 PHE HA . . 4.100 2.413 2.324 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 18 ALA MB 1 24 LYS HA . . 4.900 2.976 2.696 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 19 PRO HA 1 19 PRO HB3 . . 2.600 2.333 2.325 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 19 PRO HA 1 19 PRO HD2 . . 4.400 4.096 4.090 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 19 PRO HA 1 19 PRO HD3 . . 4.000 3.682 3.669 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 19 PRO HA 1 20 LYS H . . 2.600 2.448 2.416 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 19 PRO HA 1 21 VAL H . . 4.600 4.332 4.258 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 19 PRO HB2 1 19 PRO HD2 . . 4.400 4.105 4.094 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 19 PRO HB2 1 19 PRO HD3 . . 4.200 3.947 3.938 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 19 PRO HB2 1 20 LYS H . . 2.800 2.536 2.456 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 19 PRO HB2 1 21 VAL H . . 3.100 2.921 2.833 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 19 PRO HB2 1 21 VAL MG2 . . 4.400 2.991 2.907 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 19 PRO HB3 1 19 PRO HD2 . . 4.100 3.840 3.829 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 19 PRO HB3 1 19 PRO HD3 . . 3.200 2.924 2.906 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 19 PRO HB3 1 20 LYS H . . 3.800 3.553 3.505 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 19 PRO HB3 1 21 VAL H . . 4.800 4.543 4.456 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 19 PRO HD2 1 19 PRO QG . . 2.600 2.201 2.199 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 19 PRO HD2 1 26 LYS QD . . 5.000 2.884 2.589 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 19 PRO HD3 1 19 PRO QG . . 2.800 2.267 2.259 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 19 PRO QG 1 20 LYS H . . 5.000 4.020 3.958 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 19 PRO QG 1 21 VAL HB . . 3.600 2.496 2.404 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 19 PRO QG 1 21 VAL MG2 . . 4.500 2.683 2.527 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 20 LYS H 1 20 LYS HA . . 3.100 2.783 2.758 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 20 LYS H 1 20 LYS QB . . 3.000 2.133 2.008 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 20 LYS H 1 20 LYS QD . . 5.000 4.166 3.855 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 20 LYS H 1 20 LYS QG . . 4.700 3.824 2.277 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 20 LYS H 1 21 VAL H . . 3.300 2.989 2.950 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 20 LYS H 1 22 CYS H . . 4.900 4.605 4.568 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 20 LYS HA 1 20 LYS QD . . 5.000 3.381 2.102 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 20 LYS HA 1 21 VAL H . . 3.600 3.384 3.293 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 20 LYS QB 1 20 LYS QD . . 3.400 2.245 2.119 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 20 LYS QB 1 21 VAL H . . 4.400 3.219 3.072 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 20 LYS QE 1 20 LYS QG . . 3.300 2.187 2.093 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 21 VAL H 1 21 VAL HA . . 3.100 2.847 2.823 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 21 VAL H 1 21 VAL HB . . 2.900 2.519 2.484 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 21 VAL H 1 21 VAL MG1 . . 4.700 3.766 3.755 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 21 VAL H 1 21 VAL MG2 . . 3.200 2.019 1.968 2.091 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 21 VAL H 1 22 CYS H . . 3.100 2.755 2.642 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 21 VAL HA 1 21 VAL MG1 . . 3.300 2.423 2.405 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 21 VAL HA 1 21 VAL MG2 . . 3.300 2.434 2.423 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 21 VAL HA 1 22 CYS H . . 3.800 3.551 3.526 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 21 VAL HA 1 31 PHE QD . . 5.200 4.571 4.405 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 21 VAL HB 1 22 CYS H . . 3.100 2.848 2.793 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 21 VAL HB 1 22 CYS HB2 . . 4.100 3.532 3.453 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 21 VAL HB 1 22 CYS HB3 . . 4.500 3.894 3.776 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 21 VAL HB 1 26 LYS HB2 . . 5.200 4.260 3.913 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 21 VAL HB 1 26 LYS HB3 . . 5.200 4.694 4.426 5.144 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 21 VAL HB 1 30 HIS HE1 . . 5.300 5.138 4.972 5.308 0.008 26 0 "[ . 1 . 2 . 3]" 1
293 1 21 VAL HB 1 31 PHE HB3 . . 5.200 5.290 5.200 5.427 0.227 1 0 "[ . 1 . 2 . 3]" 1
294 1 21 VAL MG1 1 22 CYS H . . 4.900 3.708 3.652 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 21 VAL MG1 1 26 LYS HA . . 5.100 3.455 3.168 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 21 VAL MG1 1 30 HIS HE1 . . 5.100 3.352 3.203 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 21 VAL MG1 1 31 PHE QD . . 4.300 2.509 2.453 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 21 VAL MG1 1 31 PHE QE . . 4.700 2.808 2.754 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 21 VAL MG2 1 22 CYS H . . 5.100 3.962 3.938 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 22 CYS H 1 22 CYS HB2 . . 3.300 3.134 3.104 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 22 CYS H 1 22 CYS HB3 . . 3.200 2.846 2.817 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 22 CYS H 1 23 PHE H . . 4.500 4.168 4.139 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 22 CYS H 1 23 PHE HA . . 5.200 4.646 4.616 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 22 CYS HA 1 22 CYS HB2 . . 2.800 2.533 2.523 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 22 CYS HA 1 23 PHE H . . 2.800 2.800 2.732 2.856 0.056 15 0 "[ . 1 . 2 . 3]" 1
306 1 22 CYS HA 1 23 PHE HA . . 5.000 4.718 4.702 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 22 CYS HA 1 23 PHE HD1 . . 3.900 3.698 3.462 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 22 CYS HA 1 24 LYS H . . 4.400 4.424 4.280 4.524 0.124 15 0 "[ . 1 . 2 . 3]" 1
309 1 22 CYS HA 1 30 HIS HE1 . . 4.700 4.298 4.136 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 22 CYS HA 1 35 CYS HB2 . . 4.100 3.268 3.078 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 22 CYS HA 1 35 CYS HB3 . . 3.700 2.878 2.757 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 22 CYS HB2 1 23 PHE H . . 3.800 3.513 3.481 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 22 CYS HB2 1 26 LYS H . . 3.100 3.111 2.906 3.239 0.139 15 0 "[ . 1 . 2 . 3]" 1
314 1 22 CYS HB2 1 27 GLN H . . 4.700 4.805 4.700 4.884 0.184 1 0 "[ . 1 . 2 . 3]" 1
315 1 22 CYS HB2 1 30 HIS HE1 . . 2.800 2.408 2.288 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 22 CYS HB3 1 23 PHE H . . 3.000 2.684 2.608 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 22 CYS HB3 1 25 CYS H . . 4.700 4.603 4.298 4.701 0.001 15 0 "[ . 1 . 2 . 3]" 1
318 1 22 CYS HB3 1 26 LYS H . . 2.800 2.870 2.678 2.964 0.164 15 0 "[ . 1 . 2 . 3]" 1
319 1 22 CYS HB3 1 30 HIS HE1 . . 4.100 3.764 3.665 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 23 PHE H 1 23 PHE HB2 . . 4.000 3.960 3.927 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 23 PHE H 1 23 PHE HB3 . . 3.500 3.217 3.144 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 23 PHE H 1 23 PHE HD1 . . 3.200 2.645 2.545 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 23 PHE H 1 23 PHE QE . . 5.200 4.351 4.252 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 23 PHE H 1 24 LYS H . . 2.000 1.751 1.697 1.777 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 23 PHE H 1 26 LYS H . . 4.200 3.745 3.661 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 23 PHE HA 1 23 PHE HB2 . . 2.700 2.351 2.338 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 23 PHE HA 1 23 PHE HB3 . . 2.800 2.540 2.510 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 23 PHE HA 1 23 PHE QD . . 3.900 3.762 3.754 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 23 PHE HA 1 24 LYS H . . 3.600 3.482 3.384 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 23 PHE HA 1 24 LYS HA . . 4.900 4.635 4.597 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 23 PHE HB2 1 23 PHE QE . . 4.900 4.443 4.436 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 23 PHE HB3 1 23 PHE HD1 . . 2.900 2.591 2.572 2.607 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 23 PHE HB3 1 23 PHE QE . . 4.900 4.511 4.501 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 23 PHE HB3 1 24 LYS H . . 4.500 4.202 4.134 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 23 PHE HD1 1 24 LYS HB2 . . 5.200 5.294 5.192 5.403 0.203 2 0 "[ . 1 . 2 . 3]" 1
336 1 23 PHE QE 1 24 LYS HB2 . . 5.100 3.223 3.143 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 23 PHE QE 1 24 LYS HB3 . . 4.300 3.353 3.231 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 24 LYS H 1 24 LYS HB2 . . 4.400 3.381 3.339 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 24 LYS H 1 24 LYS HB3 . . 4.100 2.939 2.820 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 24 LYS H 1 24 LYS QG . . 5.000 4.228 4.126 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 24 LYS H 1 25 CYS H . . 2.800 2.368 2.272 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 24 LYS H 1 26 LYS H . . 3.300 3.235 3.188 3.269 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 24 LYS H 1 26 LYS HA . . 5.100 4.991 4.888 5.088 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 24 LYS H 1 26 LYS HB3 . . 4.200 4.177 3.929 4.345 0.145 6 0 "[ . 1 . 2 . 3]" 1
345 1 24 LYS HA 1 24 LYS QD . . 5.000 3.570 2.249 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 24 LYS HA 1 24 LYS QE . . 5.300 4.481 3.936 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 24 LYS HA 1 24 LYS QG . . 3.900 2.622 2.397 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 24 LYS HA 1 25 CYS H . . 3.800 3.616 3.576 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 24 LYS HB2 1 24 LYS QD . . 3.300 2.434 2.361 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 24 LYS HB2 1 24 LYS QE . . 4.700 3.734 2.090 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 24 LYS HB2 1 25 CYS H . . 4.100 3.766 3.672 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 24 LYS HB3 1 24 LYS QD . . 3.900 2.762 2.397 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 24 LYS HB3 1 24 LYS QE . . 4.900 3.717 2.057 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 24 LYS HB3 1 25 CYS HA . . 4.700 4.282 4.180 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 24 LYS HB3 1 26 LYS H . . 5.200 4.936 4.796 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 24 LYS QD 1 25 CYS H . . 5.200 4.368 4.091 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 24 LYS QG 1 25 CYS H . . 4.900 3.289 2.937 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 25 CYS H 1 25 CYS HB2 . . 3.600 3.450 3.198 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 25 CYS H 1 25 CYS HB3 . . 3.500 2.971 2.791 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 25 CYS H 1 26 LYS H . . 3.000 2.763 2.665 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 25 CYS H 1 26 LYS HB3 . . 5.100 4.778 4.633 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 25 CYS H 1 26 LYS HG2 . . 5.200 4.650 4.453 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 25 CYS HA 1 26 LYS H . . 3.800 3.514 3.502 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 25 CYS HA 1 27 GLN H . . 4.600 4.511 4.401 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 25 CYS HB2 1 26 LYS H . . 3.400 3.531 3.041 3.772 0.372 14 0 "[ . 1 . 2 . 3]" 1
366 1 25 CYS HB2 1 27 GLN H . . 3.800 3.369 2.993 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 25 CYS HB2 1 27 GLN QG . . 4.500 2.943 2.822 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 25 CYS HB3 1 26 LYS H . . 4.500 4.291 4.197 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 26 LYS H 1 26 LYS HA . . 2.600 2.293 2.276 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 26 LYS H 1 26 LYS HB2 . . 4.100 3.850 3.788 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 26 LYS H 1 26 LYS HB3 . . 3.000 2.724 2.633 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 26 LYS H 1 26 LYS QD . . 5.200 4.471 4.071 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 26 LYS H 1 26 LYS HG2 . . 4.200 3.305 3.244 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 26 LYS H 1 27 GLN H . . 3.400 3.254 3.206 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 26 LYS H 1 27 GLN HE21 . . 5.200 4.899 4.893 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 26 LYS H 1 30 HIS HE1 . . 3.400 2.959 2.745 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 26 LYS HA 1 26 LYS HB2 . . 2.700 2.422 2.370 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 26 LYS HA 1 26 LYS HB3 . . 2.700 2.387 2.370 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 26 LYS HA 1 27 GLN H . . 3.100 2.972 2.928 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 26 LYS HA 1 27 GLN HA . . 5.000 4.711 4.695 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 26 LYS HB2 1 26 LYS QD . . 3.800 2.503 2.444 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 26 LYS HB2 1 26 LYS QE . . 5.000 4.098 2.986 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 26 LYS HB2 1 27 GLN H . . 4.800 4.561 4.550 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 26 LYS HB3 1 26 LYS QD . . 3.600 2.360 2.216 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 26 LYS HB3 1 26 LYS QE . . 4.900 4.050 2.108 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 26 LYS HB3 1 30 HIS HE1 . . 5.100 4.457 4.387 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 26 LYS HG2 1 26 LYS QZ . . 4.700 2.356 2.010 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 26 LYS HG2 1 27 GLN HE22 . . 5.100 4.961 4.466 5.159 0.059 14 0 "[ . 1 . 2 . 3]" 1
389 1 27 GLN H 1 27 GLN HB2 . . 2.800 2.521 2.501 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 27 GLN H 1 27 GLN HB3 . . 3.900 3.623 3.619 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 27 GLN H 1 27 GLN HE22 . . 5.300 4.674 4.610 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 27 GLN H 1 27 GLN QG . . 2.700 2.266 2.219 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 27 GLN H 1 30 HIS H . . 5.200 4.706 4.594 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 27 GLN H 1 30 HIS HD2 . . 5.100 4.839 4.762 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 27 GLN H 1 30 HIS HE1 . . 3.400 2.948 2.816 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 27 GLN HA 1 27 GLN HB3 . . 2.800 2.494 2.484 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 27 GLN HA 1 27 GLN HE21 . . 5.000 3.161 3.112 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 27 GLN HA 1 27 GLN HE22 . . 5.200 3.515 3.489 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 27 GLN HA 1 28 PRO QD . . 2.600 2.006 1.993 2.019 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 27 GLN HA 1 29 GLY H . . 4.900 4.647 4.624 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 27 GLN HB2 1 27 GLN HE22 . . 5.000 5.246 5.236 5.250 0.250 19 0 "[ . 1 . 2 . 3]" 1
402 1 27 GLN HB2 1 29 GLY H . . 4.100 3.743 3.669 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 27 GLN HB2 1 30 HIS H . . 3.400 3.141 3.029 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 27 GLN HB2 1 30 HIS HA . . 5.100 4.812 4.696 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 27 GLN HB2 1 30 HIS HB2 . . 4.100 3.779 3.712 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 27 GLN HB2 1 30 HIS HD2 . . 4.900 4.652 4.542 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 27 GLN HB2 1 30 HIS HE1 . . 4.600 4.438 4.343 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 27 GLN HB3 1 27 GLN HE22 . . 4.900 4.637 4.622 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 27 GLN HB3 1 29 GLY H . . 3.800 3.628 3.553 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 27 GLN HB3 1 30 HIS H . . 4.100 3.908 3.830 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 28 PRO HA 1 28 PRO HB3 . . 2.400 2.361 2.359 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 28 PRO HA 1 28 PRO QD . . 3.900 3.246 3.239 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 28 PRO HA 1 29 GLY H . . 3.800 3.533 3.520 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 28 PRO HA 1 30 HIS H . . 5.000 4.931 4.846 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 28 PRO HB2 1 29 GLY H . . 4.100 3.112 3.022 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 28 PRO HB2 1 30 HIS H . . 5.200 5.044 4.975 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 28 PRO HB3 1 29 GLY H . . 4.900 4.271 4.217 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 28 PRO QG 1 29 GLY H . . 5.100 4.370 4.317 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 29 GLY H 1 29 GLY HA2 . . 3.000 2.669 2.633 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 29 GLY H 1 30 HIS H . . 2.300 1.941 1.879 2.067 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 29 GLY H 1 30 HIS HA . . 4.800 4.420 4.393 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 29 GLY H 1 31 PHE H . . 4.700 4.291 4.220 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 29 GLY HA2 1 30 HIS H . . 3.500 3.378 3.319 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 29 GLY HA3 1 30 HIS H . . 3.600 3.300 3.149 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 29 GLY HA3 1 31 PHE H . . 4.200 3.729 3.676 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 29 GLY HA3 1 31 PHE QD . . 4.900 3.756 3.464 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 29 GLY HA3 1 31 PHE QE . . 4.300 2.814 2.582 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 29 GLY HA3 1 32 SER H . . 4.700 4.334 4.154 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 30 HIS H 1 30 HIS HB2 . . 3.900 3.541 3.519 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 30 HIS H 1 30 HIS HE1 . . 5.200 4.772 4.621 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 30 HIS H 1 31 PHE H . . 3.000 2.746 2.559 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 30 HIS HA 1 30 HIS HB2 . . 2.600 2.336 2.318 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 30 HIS HA 1 30 HIS HD2 . . 4.900 4.463 4.423 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 30 HIS HA 1 31 PHE H . . 3.800 3.506 3.495 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 30 HIS HA 1 32 SER H . . 4.600 4.659 4.575 4.763 0.163 29 0 "[ . 1 . 2 . 3]" 1
436 1 30 HIS HA 1 33 LYS H . . 4.200 4.116 3.997 4.299 0.099 26 0 "[ . 1 . 2 . 3]" 1
437 1 30 HIS HB2 1 30 HIS HD2 . . 2.800 2.549 2.541 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 30 HIS HB2 1 31 PHE H . . 4.400 4.123 4.081 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 30 HIS HB2 1 34 GLN QB . . 4.700 3.709 3.541 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 30 HIS HD2 1 31 PHE HA . . 4.500 3.747 3.500 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 30 HIS HD2 1 34 GLN QB . . 3.900 2.635 2.472 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 30 HIS HD2 1 34 GLN HE22 . . 3.500 3.048 2.860 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 30 HIS HD2 1 34 GLN QG . . 5.100 4.100 3.928 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 30 HIS HD2 1 35 CYS H . . 5.000 4.087 3.555 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 30 HIS HD2 1 35 CYS HB2 . . 5.100 4.531 4.267 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 30 HIS HE1 1 31 PHE H . . 4.400 3.806 3.742 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 31 PHE H 1 31 PHE HA . . 3.100 2.793 2.769 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 31 PHE H 1 31 PHE HB2 . . 3.800 3.565 3.541 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 31 PHE H 1 31 PHE HB3 . . 2.900 2.657 2.553 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 31 PHE H 1 31 PHE QD . . 3.500 2.213 2.110 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 31 PHE H 1 31 PHE QE . . 4.900 3.906 3.817 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 31 PHE H 1 32 SER H . . 3.200 2.943 2.878 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 31 PHE H 1 33 LYS H . . 4.700 4.279 4.208 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 31 PHE HA 1 31 PHE HB2 . . 2.800 2.523 2.470 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 31 PHE HA 1 31 PHE HB3 . . 2.800 2.331 2.290 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 31 PHE HA 1 31 PHE QD . . 4.000 3.761 3.735 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 31 PHE HA 1 32 SER H . . 3.700 3.588 3.577 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 31 PHE HA 1 36 ARG H . . 3.400 3.355 3.017 3.555 0.155 24 0 "[ . 1 . 2 . 3]" 1
459 1 31 PHE HB2 1 31 PHE QD . . 2.600 2.467 2.435 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 31 PHE HB2 1 32 SER H . . 4.300 3.594 3.494 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 31 PHE HB3 1 31 PHE QD . . 2.500 2.411 2.385 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 31 PHE HB3 1 31 PHE QE . . 4.900 4.449 4.440 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 31 PHE HB3 1 32 SER H . . 4.400 4.107 4.057 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 31 PHE QD 1 32 SER HA . . 5.100 3.460 3.383 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 31 PHE QD 1 35 CYS HB2 . . 5.500 4.799 4.635 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 31 PHE QE 1 32 SER H . . 4.800 3.889 3.841 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 32 SER H 1 32 SER HA . . 3.100 2.817 2.800 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 32 SER H 1 32 SER HB2 . . 2.800 2.564 2.535 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 32 SER H 1 32 SER HB3 . . 3.700 3.582 3.576 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 32 SER H 1 33 LYS H . . 3.100 2.928 2.885 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 32 SER H 1 34 GLN H . . 4.800 4.458 4.320 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 32 SER H 1 36 ARG H . . 5.400 4.875 4.723 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 32 SER H 1 36 ARG QB . . 5.000 4.055 3.813 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 32 SER HA 1 32 SER HB3 . . 2.700 2.451 2.439 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 32 SER HA 1 33 LYS H . . 3.600 3.372 3.342 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 32 SER HA 1 34 GLN H . . 4.600 4.192 4.117 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 32 SER HA 1 36 ARG H . . 4.800 4.001 3.773 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 32 SER HA 1 37 SER H . . 5.100 4.180 3.807 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 32 SER HB2 1 33 LYS H . . 3.800 3.454 3.351 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 32 SER HB2 1 33 LYS QB . . 5.200 4.327 3.984 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 32 SER HB2 1 33 LYS QG . . 5.000 3.535 2.726 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 32 SER HB3 1 33 LYS H . . 4.600 4.263 4.204 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 33 LYS H 1 33 LYS QB . . 3.800 2.866 2.503 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 33 LYS H 1 33 LYS QD . . 5.200 3.966 2.457 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 33 LYS H 1 33 LYS QE . . 5.200 4.319 3.066 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 33 LYS H 1 33 LYS QG . . 4.900 2.747 2.318 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 33 LYS H 1 34 GLN H . . 2.400 2.171 2.088 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 33 LYS H 1 34 GLN HA . . 5.100 4.822 4.780 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 33 LYS H 1 34 GLN HB2 . . 4.700 4.399 4.254 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 33 LYS H 1 34 GLN HB3 . . 4.500 4.274 4.211 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 33 LYS H 1 35 CYS H . . 4.800 3.932 3.743 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 33 LYS H 1 36 ARG H . . 4.700 4.286 4.152 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 33 LYS H 1 37 SER HA . . 5.100 4.881 4.619 5.243 0.143 3 0 "[ . 1 . 2 . 3]" 1
494 1 33 LYS HA 1 33 LYS QD . . 5.000 3.921 2.244 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 33 LYS HA 1 33 LYS QE . . 5.200 4.391 4.161 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 33 LYS HA 1 33 LYS QG . . 4.000 3.026 2.370 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 33 LYS HA 1 34 GLN H . . 3.200 3.192 3.096 3.289 0.089 13 0 "[ . 1 . 2 . 3]" 1
498 1 33 LYS HA 1 37 SER H . . 5.000 4.896 4.648 5.202 0.202 4 0 "[ . 1 . 2 . 3]" 1
499 1 33 LYS QB 1 33 LYS QD . . 3.400 2.385 2.158 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 33 LYS QB 1 34 GLN H . . 4.800 3.827 3.528 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 33 LYS QE 1 33 LYS QG . . 3.300 2.285 2.104 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 34 GLN H 1 34 GLN HB2 . . 3.600 3.342 3.258 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 34 GLN H 1 34 GLN HB3 . . 3.300 3.028 2.963 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 34 GLN H 1 34 GLN QG . . 5.100 4.240 4.215 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 34 GLN H 1 35 CYS H . . 3.200 2.382 2.108 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 34 GLN H 1 37 SER H . . 4.000 3.443 3.151 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 34 GLN H 1 37 SER HA . . 4.700 4.484 4.234 4.832 0.132 2 0 "[ . 1 . 2 . 3]" 1
508 1 34 GLN HA 1 34 GLN HB2 . . 2.800 2.525 2.497 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 34 GLN HA 1 34 GLN QG . . 3.700 2.404 2.377 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 34 GLN HA 1 35 CYS H . . 3.700 3.599 3.548 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 34 GLN HA 1 36 ARG H . . 5.200 4.773 4.523 5.158 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 34 GLN HA 1 37 SER H . . 4.500 4.680 4.409 4.894 0.394 18 0 "[ . 1 . 2 . 3]" 1
513 1 34 GLN HB2 1 34 GLN HE21 . . 4.700 4.005 3.956 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 34 GLN HB2 1 34 GLN HE22 . . 4.800 4.483 4.426 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 34 GLN HB2 1 35 CYS H . . 3.700 3.709 3.499 3.850 0.150 22 0 "[ . 1 . 2 . 3]" 1
516 1 34 GLN HB3 1 34 GLN HE21 . . 4.400 2.919 2.839 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 34 GLN HB3 1 34 GLN HE22 . . 4.400 3.865 3.797 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 34 GLN HB3 1 35 CYS H . . 2.300 2.297 1.934 2.565 0.265 22 0 "[ . 1 . 2 . 3]" 1
519 1 34 GLN HE21 1 35 CYS H . . 5.200 4.059 3.349 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 34 GLN HE21 1 35 CYS HB2 . . 4.800 4.469 4.412 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 34 GLN HE21 1 35 CYS HB3 . . 4.900 4.621 4.570 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 35 CYS H 1 35 CYS HB2 . . 2.700 2.453 2.406 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 35 CYS H 1 35 CYS HB3 . . 3.600 3.600 3.494 3.666 0.066 22 0 "[ . 1 . 2 . 3]" 1
524 1 35 CYS H 1 36 ARG H . . 3.200 2.451 2.168 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 35 CYS H 1 36 ARG QB . . 4.700 4.248 4.087 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 35 CYS H 1 37 SER H . . 4.800 3.947 3.266 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 35 CYS HA 1 35 CYS HB3 . . 2.700 2.457 2.443 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 35 CYS HA 1 36 ARG H . . 3.500 3.406 3.323 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 35 CYS HA 1 36 ARG HE . . 4.900 4.515 4.255 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 35 CYS HB2 1 36 ARG H . . 3.900 3.282 2.948 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 35 CYS HB2 1 36 ARG QB . . 5.100 3.624 3.249 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 35 CYS HB2 1 36 ARG HE . . 4.700 4.395 4.145 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 35 CYS HB3 1 36 ARG H . . 4.500 4.138 3.907 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 35 CYS HB3 1 36 ARG HE . . 4.200 3.959 3.672 4.213 0.013 21 0 "[ . 1 . 2 . 3]" 1
535 1 36 ARG H 1 36 ARG QB . . 3.500 2.634 2.564 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 36 ARG H 1 36 ARG HE . . 4.500 4.021 3.815 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 36 ARG H 1 37 SER H . . 2.500 2.072 1.852 2.215 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 36 ARG H 1 37 SER QB . . 5.200 4.275 3.668 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 36 ARG HA 1 36 ARG QD . . 4.200 2.904 2.126 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 36 ARG HA 1 36 ARG HE . . 2.900 2.289 2.142 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 36 ARG HA 1 36 ARG QG . . 3.700 2.613 2.242 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 36 ARG HA 1 37 SER H . . 3.300 3.100 3.013 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 36 ARG QB 1 36 ARG HE . . 4.900 2.671 2.468 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 36 ARG QB 1 37 SER H . . 4.400 3.637 3.398 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 37 SER H 1 37 SER QB . . 3.500 2.574 2.193 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
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