NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
387386 |
1mb6   |
5527 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mb6
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 463
_Distance_constraint_stats_list.Viol_count 130
_Distance_constraint_stats_list.Viol_total 46.298
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0178
_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 GLU 0.012 0.012 15 0 "[ . 1 . 2]"
1 2 CYS 0.258 0.058 14 0 "[ . 1 . 2]"
1 3 LEU 0.207 0.062 3 0 "[ . 1 . 2]"
1 4 GLU 0.022 0.012 13 0 "[ . 1 . 2]"
1 5 ILE 0.140 0.028 12 0 "[ . 1 . 2]"
1 6 PHE 0.234 0.060 16 0 "[ . 1 . 2]"
1 7 LYS 0.089 0.025 16 0 "[ . 1 . 2]"
1 8 ALA 0.163 0.071 10 0 "[ . 1 . 2]"
1 9 CYS 0.144 0.027 12 0 "[ . 1 . 2]"
1 10 ASN 0.052 0.027 12 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.119 0.042 12 0 "[ . 1 . 2]"
1 13 ASN 0.008 0.006 16 0 "[ . 1 . 2]"
1 14 ASP 0.139 0.042 12 0 "[ . 1 . 2]"
1 15 GLN 0.144 0.038 2 0 "[ . 1 . 2]"
1 16 CYS 0.101 0.062 3 0 "[ . 1 . 2]"
1 17 CYS 0.345 0.058 14 0 "[ . 1 . 2]"
1 18 LYS 0.041 0.015 8 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.095 0.028 19 0 "[ . 1 . 2]"
1 21 LYS 0.078 0.028 19 0 "[ . 1 . 2]"
1 22 LEU 0.171 0.061 10 0 "[ . 1 . 2]"
1 23 VAL 0.498 0.080 17 0 "[ . 1 . 2]"
1 24 CYS 0.129 0.080 17 0 "[ . 1 . 2]"
1 25 SER 0.271 0.040 18 0 "[ . 1 . 2]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.021 0.020 7 0 "[ . 1 . 2]"
1 29 ARG 0.023 0.016 4 0 "[ . 1 . 2]"
1 30 TRP 0.079 0.021 19 0 "[ . 1 . 2]"
1 31 CYS 0.252 0.071 10 0 "[ . 1 . 2]"
1 32 LYS 0.594 0.048 7 0 "[ . 1 . 2]"
1 33 TYR 0.032 0.032 12 0 "[ . 1 . 2]"
1 34 GLN 0.105 0.030 10 0 "[ . 1 . 2]"
1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 2 CYS H 2.700 . 2.700 2.407 2.204 2.712 0.012 15 0 "[ . 1 . 2]" 1
2 1 1 GLU HA 1 2 CYS HA 5.000 . 5.000 4.482 4.414 4.644 . 0 0 "[ . 1 . 2]" 1
3 1 2 CYS H 1 2 CYS QB 2.700 . 3.700 2.417 2.277 2.565 . 0 0 "[ . 1 . 2]" 1
4 1 2 CYS HA 1 3 LEU MD1 5.000 . 7.400 4.623 4.070 4.943 . 0 0 "[ . 1 . 2]" 1
5 1 2 CYS HA 1 3 LEU MD2 5.000 . 7.400 4.661 4.172 5.168 . 0 0 "[ . 1 . 2]" 1
6 1 2 CYS HA 1 3 LEU HG 5.000 . 5.000 3.548 3.163 3.908 . 0 0 "[ . 1 . 2]" 1
7 1 2 CYS HA 1 15 GLN QB 5.000 . 6.000 3.300 2.842 3.907 . 0 0 "[ . 1 . 2]" 1
8 1 2 CYS HA 1 16 CYS H 6.000 . 6.000 5.432 4.995 5.864 . 0 0 "[ . 1 . 2]" 1
9 1 2 CYS HA 1 17 CYS H 5.000 . 5.000 4.936 4.701 5.038 0.038 2 0 "[ . 1 . 2]" 1
10 1 2 CYS HA 1 17 CYS HA 5.000 . 5.000 4.269 4.086 4.575 . 0 0 "[ . 1 . 2]" 1
11 1 2 CYS HA 1 18 LYS H 6.000 . 6.000 5.924 5.713 6.015 0.015 8 0 "[ . 1 . 2]" 1
12 1 2 CYS QB 1 16 CYS H 6.000 . 7.000 5.045 4.480 5.496 . 0 0 "[ . 1 . 2]" 1
13 1 2 CYS QB 1 16 CYS HA 5.000 . 6.000 3.829 3.301 4.251 . 0 0 "[ . 1 . 2]" 1
14 1 2 CYS QB 1 17 CYS H 3.500 . 4.500 3.176 2.948 3.411 . 0 0 "[ . 1 . 2]" 1
15 1 2 CYS QB 1 17 CYS HA 3.500 . 4.500 1.875 1.742 2.100 0.058 14 0 "[ . 1 . 2]" 1
16 1 2 CYS QB 1 18 LYS H 5.000 . 6.000 3.586 3.367 3.800 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU H 1 3 LEU QB 3.500 . 4.500 2.306 2.165 2.484 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU H 1 3 LEU MD1 3.500 . 5.900 3.482 2.914 3.723 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU H 1 3 LEU MD2 3.500 . 5.900 3.783 3.499 4.088 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU H 1 3 LEU HG 3.500 . 3.500 2.564 2.394 2.935 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU H 1 4 GLU H 5.000 . 5.000 4.491 4.360 4.645 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU H 1 15 GLN H 6.000 . 6.000 5.222 4.730 5.611 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU H 1 15 GLN HA 5.000 . 5.000 4.735 4.554 4.921 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU H 1 16 CYS H 5.000 . 5.000 4.324 4.216 4.567 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU H 1 16 CYS HA 2.700 . 2.700 2.371 2.063 2.664 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU H 1 16 CYS QB 5.000 . 6.000 4.417 4.216 4.635 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU H 1 17 CYS H 3.500 . 3.500 3.207 2.860 3.439 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU H 1 17 CYS HA 5.000 . 5.000 4.100 3.653 4.521 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU HA 1 4 GLU H 2.700 . 2.700 2.219 2.195 2.328 . 0 0 "[ . 1 . 2]" 1
30 1 3 LEU HA 1 16 CYS HA 5.000 . 5.000 4.370 4.168 4.574 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU HA 1 17 CYS H 5.000 . 5.000 4.875 4.698 5.036 0.036 4 0 "[ . 1 . 2]" 1
32 1 3 LEU QB 1 4 GLU H 3.500 . 4.500 3.323 2.812 3.593 . 0 0 "[ . 1 . 2]" 1
33 1 3 LEU QB 1 16 CYS H 5.000 . 6.000 4.059 3.501 4.440 . 0 0 "[ . 1 . 2]" 1
34 1 3 LEU QB 1 16 CYS HA 5.000 . 6.000 1.987 1.738 2.301 0.062 3 0 "[ . 1 . 2]" 1
35 1 3 LEU QB 1 17 CYS H 5.000 . 6.000 3.686 3.533 3.927 . 0 0 "[ . 1 . 2]" 1
36 1 3 LEU QD 1 4 GLU H 5.000 . 7.400 3.538 3.168 3.787 . 0 0 "[ . 1 . 2]" 1
37 1 3 LEU MD1 1 8 ALA H 5.000 . 7.400 5.320 4.915 5.795 . 0 0 "[ . 1 . 2]" 1
38 1 3 LEU MD1 1 16 CYS H 5.000 . 7.400 3.880 3.439 4.234 . 0 0 "[ . 1 . 2]" 1
39 1 3 LEU MD1 1 16 CYS HA 5.000 . 7.400 3.419 3.042 3.771 . 0 0 "[ . 1 . 2]" 1
40 1 3 LEU MD1 1 17 CYS H 5.000 . 7.400 5.327 4.984 5.612 . 0 0 "[ . 1 . 2]" 1
41 1 3 LEU MD2 1 8 ALA H 5.000 . 7.400 4.582 3.914 5.212 . 0 0 "[ . 1 . 2]" 1
42 1 3 LEU MD2 1 16 CYS H 5.000 . 7.400 6.136 5.876 6.262 . 0 0 "[ . 1 . 2]" 1
43 1 3 LEU MD2 1 16 CYS HA 5.000 . 7.400 4.732 4.579 4.901 . 0 0 "[ . 1 . 2]" 1
44 1 3 LEU MD2 1 17 CYS H 5.000 . 7.400 5.842 5.665 6.015 . 0 0 "[ . 1 . 2]" 1
45 1 3 LEU HG 1 15 GLN H 5.000 . 5.000 4.783 4.376 5.038 0.038 2 0 "[ . 1 . 2]" 1
46 1 3 LEU HG 1 16 CYS HA 5.000 . 5.000 3.956 3.634 4.309 . 0 0 "[ . 1 . 2]" 1
47 1 3 LEU HG 1 17 CYS H 6.000 . 6.000 5.533 5.187 5.726 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLU H 1 4 GLU QB 3.500 . 4.500 2.100 1.942 2.276 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLU H 1 5 ILE H 5.000 . 5.000 4.579 4.529 4.646 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLU H 1 16 CYS HA 6.000 . 6.000 5.278 5.067 5.473 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLU H 1 17 CYS H 6.000 . 6.000 5.008 4.646 5.218 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLU HA 1 4 GLU QG 2.700 . 3.700 2.141 1.913 2.476 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLU HA 1 5 ILE H 2.700 . 2.700 2.639 2.509 2.712 0.012 13 0 "[ . 1 . 2]" 1
54 1 4 GLU HA 1 5 ILE HA 5.000 . 5.000 4.411 4.401 4.420 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLU HA 1 17 CYS H 5.000 . 5.000 3.787 3.374 4.067 . 0 0 "[ . 1 . 2]" 1
56 1 4 GLU QB 1 5 ILE H 2.700 . 3.700 2.315 2.044 2.985 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLU QG 1 5 ILE H 5.000 . 6.000 3.219 1.972 4.055 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLU QG 1 17 CYS H 6.000 . 6.000 5.070 4.823 5.338 . 0 0 "[ . 1 . 2]" 1
59 1 5 ILE H 1 5 ILE HB 2.700 . 2.700 2.247 2.051 2.459 . 0 0 "[ . 1 . 2]" 1
60 1 5 ILE H 1 5 ILE MD 5.000 . 6.000 4.118 3.836 4.332 . 0 0 "[ . 1 . 2]" 1
61 1 5 ILE H 1 6 PHE H 5.000 . 5.000 4.688 4.650 4.698 . 0 0 "[ . 1 . 2]" 1
62 1 5 ILE H 1 6 PHE QD 5.000 . 7.400 5.604 5.205 6.288 . 0 0 "[ . 1 . 2]" 1
63 1 5 ILE H 1 6 PHE QE 6.000 . 8.400 7.136 6.261 7.714 . 0 0 "[ . 1 . 2]" 1
64 1 5 ILE H 1 17 CYS H 6.000 . 6.000 5.769 5.324 6.027 0.027 1 0 "[ . 1 . 2]" 1
65 1 5 ILE H 1 17 CYS QB 5.000 . 6.000 4.983 4.638 5.194 . 0 0 "[ . 1 . 2]" 1
66 1 5 ILE H 1 22 LEU QD 5.000 . 7.400 2.395 2.059 2.828 . 0 0 "[ . 1 . 2]" 1
67 1 5 ILE H 1 31 CYS QB 5.000 . 6.000 4.261 3.935 4.593 . 0 0 "[ . 1 . 2]" 1
68 1 5 ILE HA 1 5 ILE HB 2.700 . 2.700 2.584 2.474 2.687 . 0 0 "[ . 1 . 2]" 1
69 1 5 ILE HA 1 5 ILE QG 2.700 . 3.700 2.415 2.070 2.875 . 0 0 "[ . 1 . 2]" 1
70 1 5 ILE HA 1 6 PHE H . . 3.500 2.319 2.280 2.354 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE HA 1 6 PHE HA 5.000 . 5.000 4.558 4.530 4.582 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE HA 1 7 LYS H 5.000 . 5.000 3.630 3.329 3.734 . 0 0 "[ . 1 . 2]" 1
73 1 5 ILE HA 1 22 LEU HA 6.000 . 6.000 5.409 4.965 5.823 . 0 0 "[ . 1 . 2]" 1
74 1 5 ILE HA 1 31 CYS HA 5.000 . 5.000 4.770 4.540 4.985 . 0 0 "[ . 1 . 2]" 1
75 1 5 ILE HA 1 32 LYS H 5.000 . 5.000 4.773 4.542 5.028 0.028 12 0 "[ . 1 . 2]" 1
76 1 5 ILE HA 1 33 TYR H 6.000 . 6.000 5.012 4.519 5.647 . 0 0 "[ . 1 . 2]" 1
77 1 5 ILE HB 1 6 PHE H 5.000 . 5.000 4.184 4.066 4.307 . 0 0 "[ . 1 . 2]" 1
78 1 5 ILE HB 1 7 LYS H 6.000 . 6.000 5.919 5.492 6.025 0.025 16 0 "[ . 1 . 2]" 1
79 1 5 ILE MD 1 6 PHE H 5.000 . 6.000 2.329 1.943 2.829 . 0 0 "[ . 1 . 2]" 1
80 1 5 ILE MD 1 6 PHE QD 5.000 . 9.800 3.166 2.434 4.008 . 0 0 "[ . 1 . 2]" 1
81 1 5 ILE MD 1 6 PHE QE 5.000 . 9.800 3.407 2.824 5.581 . 0 0 "[ . 1 . 2]" 1
82 1 5 ILE MD 1 7 LYS H 5.000 . 6.000 4.516 4.214 4.877 . 0 0 "[ . 1 . 2]" 1
83 1 5 ILE MD 1 33 TYR H 5.000 . 7.400 2.701 1.987 3.500 . 0 0 "[ . 1 . 2]" 1
84 1 5 ILE MD 1 33 TYR QD 5.000 . 9.800 3.001 2.077 3.931 . 0 0 "[ . 1 . 2]" 1
85 1 5 ILE MD 1 33 TYR QE 5.000 . 9.800 4.435 3.087 5.449 . 0 0 "[ . 1 . 2]" 1
86 1 5 ILE QG 1 6 PHE H 5.000 . 6.000 2.560 2.031 3.103 . 0 0 "[ . 1 . 2]" 1
87 1 5 ILE QG 1 7 LYS H 5.000 . 6.000 4.890 4.557 5.230 . 0 0 "[ . 1 . 2]" 1
88 1 5 ILE QG 1 33 TYR H 5.000 . 6.000 3.359 2.383 4.318 . 0 0 "[ . 1 . 2]" 1
89 1 5 ILE MG 1 6 PHE H 5.000 . 6.000 3.384 3.014 3.749 . 0 0 "[ . 1 . 2]" 1
90 1 5 ILE MG 1 7 LYS H 5.000 . 6.000 4.788 4.426 4.920 . 0 0 "[ . 1 . 2]" 1
91 1 5 ILE MG 1 33 TYR H 5.000 . 7.400 5.439 4.760 6.054 . 0 0 "[ . 1 . 2]" 1
92 1 6 PHE H 1 6 PHE HA 2.700 . 2.700 2.353 2.347 2.356 . 0 0 "[ . 1 . 2]" 1
93 1 6 PHE H 1 6 PHE QB 3.500 . 4.500 3.199 2.905 3.351 . 0 0 "[ . 1 . 2]" 1
94 1 6 PHE H 1 6 PHE QD 5.000 . 7.400 3.373 1.901 4.541 . 0 0 "[ . 1 . 2]" 1
95 1 6 PHE H 1 6 PHE QE 5.000 . 7.400 4.772 4.166 6.525 . 0 0 "[ . 1 . 2]" 1
96 1 6 PHE H 1 7 LYS H 3.500 . 3.500 2.798 2.736 2.886 . 0 0 "[ . 1 . 2]" 1
97 1 6 PHE H 1 7 LYS HA 6.000 . 6.000 5.433 5.393 5.479 . 0 0 "[ . 1 . 2]" 1
98 1 6 PHE H 1 7 LYS QB 5.000 . 6.000 4.499 4.377 4.727 . 0 0 "[ . 1 . 2]" 1
99 1 6 PHE H 1 30 TRP QB 5.000 . 6.000 3.948 3.647 4.235 . 0 0 "[ . 1 . 2]" 1
100 1 6 PHE H 1 30 TRP HE1 5.000 . 5.000 4.403 3.932 4.833 . 0 0 "[ . 1 . 2]" 1
101 1 6 PHE H 1 31 CYS HA 5.000 . 5.000 4.853 4.531 5.019 0.019 4 0 "[ . 1 . 2]" 1
102 1 6 PHE H 1 31 CYS QB 5.000 . 6.000 3.163 2.554 3.647 . 0 0 "[ . 1 . 2]" 1
103 1 6 PHE H 1 32 LYS H 5.000 . 5.000 4.907 4.547 5.048 0.048 7 0 "[ . 1 . 2]" 1
104 1 6 PHE HA 1 6 PHE QD 2.700 . 5.100 2.101 1.740 3.084 0.060 16 0 "[ . 1 . 2]" 1
105 1 6 PHE HA 1 6 PHE QE 5.000 . 7.400 4.248 4.085 5.053 . 0 0 "[ . 1 . 2]" 1
106 1 6 PHE HA 1 7 LYS H 3.500 . 3.500 2.920 2.830 3.188 . 0 0 "[ . 1 . 2]" 1
107 1 6 PHE HA 1 30 TRP QB 5.000 . 6.000 2.826 2.474 3.100 . 0 0 "[ . 1 . 2]" 1
108 1 6 PHE HA 1 30 TRP HD1 5.000 . 5.000 3.140 2.534 3.443 . 0 0 "[ . 1 . 2]" 1
109 1 6 PHE HA 1 30 TRP HE1 5.000 . 5.000 3.846 3.227 4.211 . 0 0 "[ . 1 . 2]" 1
110 1 6 PHE HA 1 30 TRP HE3 5.000 . 5.000 4.647 4.379 5.006 0.006 18 0 "[ . 1 . 2]" 1
111 1 6 PHE HA 1 31 CYS H 5.000 . 5.000 4.102 3.681 4.537 . 0 0 "[ . 1 . 2]" 1
112 1 6 PHE QB 1 7 LYS H 3.500 . 4.500 3.837 3.766 3.869 . 0 0 "[ . 1 . 2]" 1
113 1 6 PHE QB 1 30 TRP HD1 5.000 . 6.000 5.136 4.305 5.393 . 0 0 "[ . 1 . 2]" 1
114 1 6 PHE QB 1 30 TRP HE1 6.000 . 7.000 5.334 3.903 5.765 . 0 0 "[ . 1 . 2]" 1
115 1 6 PHE QB 1 31 CYS H 6.000 . 7.000 5.540 5.216 5.858 . 0 0 "[ . 1 . 2]" 1
116 1 6 PHE QD 1 7 LYS H 5.000 . 7.400 4.652 4.155 4.911 . 0 0 "[ . 1 . 2]" 1
117 1 6 PHE QD 1 30 TRP HE1 3.500 . 5.900 3.292 2.733 4.202 . 0 0 "[ . 1 . 2]" 1
118 1 6 PHE QD 1 30 TRP HE3 5.000 . 7.400 4.676 4.143 5.744 . 0 0 "[ . 1 . 2]" 1
119 1 6 PHE QD 1 31 CYS H 6.000 . 7.000 5.688 4.971 6.098 . 0 0 "[ . 1 . 2]" 1
120 1 6 PHE QE 1 30 TRP HE1 5.000 . 7.400 3.289 2.674 6.319 . 0 0 "[ . 1 . 2]" 1
121 1 7 LYS H 1 7 LYS QB 2.700 . 3.700 2.359 2.236 2.488 . 0 0 "[ . 1 . 2]" 1
122 1 7 LYS H 1 7 LYS QD 5.000 . 6.000 4.428 3.710 4.845 . 0 0 "[ . 1 . 2]" 1
123 1 7 LYS H 1 7 LYS QE 5.000 . 6.000 4.962 4.067 5.374 . 0 0 "[ . 1 . 2]" 1
124 1 7 LYS H 1 8 ALA H 5.000 . 5.000 4.431 4.338 4.577 . 0 0 "[ . 1 . 2]" 1
125 1 7 LYS H 1 8 ALA MB 5.000 . 7.400 5.598 5.538 5.755 . 0 0 "[ . 1 . 2]" 1
126 1 7 LYS H 1 9 CYS H 6.000 . 6.000 5.716 5.473 6.022 0.022 18 0 "[ . 1 . 2]" 1
127 1 7 LYS H 1 30 TRP HA 5.000 . 5.000 4.265 4.031 5.020 0.020 18 0 "[ . 1 . 2]" 1
128 1 7 LYS H 1 30 TRP QB 5.000 . 6.000 2.486 2.163 3.154 . 0 0 "[ . 1 . 2]" 1
129 1 7 LYS H 1 30 TRP HD1 5.000 . 5.000 3.907 3.606 4.338 . 0 0 "[ . 1 . 2]" 1
130 1 7 LYS H 1 31 CYS H 3.500 . 3.500 2.233 2.003 2.886 . 0 0 "[ . 1 . 2]" 1
131 1 7 LYS H 1 31 CYS QB 3.500 . 4.500 2.314 2.089 2.560 . 0 0 "[ . 1 . 2]" 1
132 1 7 LYS HA 1 8 ALA H 2.700 . 2.700 2.223 2.200 2.309 . 0 0 "[ . 1 . 2]" 1
133 1 7 LYS HA 1 9 CYS H 6.000 . 6.000 5.858 5.683 5.988 . 0 0 "[ . 1 . 2]" 1
134 1 7 LYS HA 1 31 CYS H 5.000 . 5.000 4.399 4.115 4.573 . 0 0 "[ . 1 . 2]" 1
135 1 7 LYS QB 1 8 ALA H 3.500 . 4.500 3.536 3.243 3.846 . 0 0 "[ . 1 . 2]" 1
136 1 7 LYS QB 1 9 CYS H 6.000 . 7.000 5.260 5.003 5.533 . 0 0 "[ . 1 . 2]" 1
137 1 7 LYS QB 1 31 CYS H 5.000 . 6.000 3.219 3.009 3.549 . 0 0 "[ . 1 . 2]" 1
138 1 7 LYS QD 1 8 ALA H 5.000 . 6.000 3.931 3.213 4.915 . 0 0 "[ . 1 . 2]" 1
139 1 7 LYS QE 1 8 ALA H 5.000 . 6.000 4.327 2.057 5.387 . 0 0 "[ . 1 . 2]" 1
140 1 7 LYS QG 1 8 ALA H 5.000 . 6.000 3.498 2.064 4.714 . 0 0 "[ . 1 . 2]" 1
141 1 7 LYS QG 1 31 CYS H 5.000 . 6.000 4.712 4.344 5.019 . 0 0 "[ . 1 . 2]" 1
142 1 8 ALA H 1 8 ALA MB 2.700 . 5.100 2.115 1.937 2.173 . 0 0 "[ . 1 . 2]" 1
143 1 8 ALA H 1 9 CYS H 5.000 . 5.000 4.533 4.452 4.582 . 0 0 "[ . 1 . 2]" 1
144 1 8 ALA H 1 30 TRP HA 5.000 . 5.000 4.615 4.173 4.886 . 0 0 "[ . 1 . 2]" 1
145 1 8 ALA H 1 30 TRP QB 5.000 . 6.000 3.640 3.310 3.907 . 0 0 "[ . 1 . 2]" 1
146 1 8 ALA H 1 30 TRP HE3 6.000 . 6.000 5.639 5.067 6.021 0.021 19 0 "[ . 1 . 2]" 1
147 1 8 ALA H 1 31 CYS H 5.000 . 5.000 4.878 4.527 5.071 0.071 10 0 "[ . 1 . 2]" 1
148 1 8 ALA HA 1 9 CYS H 2.700 . 2.700 2.206 2.197 2.220 . 0 0 "[ . 1 . 2]" 1
149 1 8 ALA HA 1 30 TRP H 6.000 . 6.000 5.094 4.595 5.385 . 0 0 "[ . 1 . 2]" 1
150 1 8 ALA HA 1 30 TRP HA 3.500 . 3.500 2.711 2.143 3.164 . 0 0 "[ . 1 . 2]" 1
151 1 8 ALA HA 1 30 TRP HE3 5.000 . 5.000 4.707 4.277 5.012 0.012 16 0 "[ . 1 . 2]" 1
152 1 8 ALA HA 1 31 CYS H 5.000 . 5.000 4.419 3.972 4.766 . 0 0 "[ . 1 . 2]" 1
153 1 8 ALA MB 1 9 CYS H 2.700 . 5.100 3.350 3.270 3.456 . 0 0 "[ . 1 . 2]" 1
154 1 8 ALA MB 1 30 TRP HA 5.000 . 7.400 4.325 3.888 4.610 . 0 0 "[ . 1 . 2]" 1
155 1 8 ALA MB 1 30 TRP HE3 5.000 . 7.400 5.111 4.663 5.733 . 0 0 "[ . 1 . 2]" 1
156 1 8 ALA MB 1 31 CYS H 5.000 . 7.400 5.414 5.099 5.612 . 0 0 "[ . 1 . 2]" 1
157 1 9 CYS H 1 9 CYS QB 3.500 . 4.500 2.689 2.206 2.971 . 0 0 "[ . 1 . 2]" 1
158 1 9 CYS H 1 10 ASN H 5.000 . 5.000 4.482 4.434 4.543 . 0 0 "[ . 1 . 2]" 1
159 1 9 CYS H 1 10 ASN HA 5.000 . 5.000 4.897 4.791 5.027 0.027 12 0 "[ . 1 . 2]" 1
160 1 9 CYS H 1 29 ARG HA 5.000 . 5.000 4.711 4.333 5.016 0.016 4 0 "[ . 1 . 2]" 1
161 1 9 CYS H 1 29 ARG QB 5.000 . 6.000 5.106 4.638 5.337 . 0 0 "[ . 1 . 2]" 1
162 1 9 CYS H 1 30 TRP H 5.000 . 5.000 4.596 4.381 4.843 . 0 0 "[ . 1 . 2]" 1
163 1 9 CYS H 1 30 TRP HA 2.700 . 2.700 2.191 1.950 2.466 . 0 0 "[ . 1 . 2]" 1
164 1 9 CYS H 1 30 TRP QB 5.000 . 6.000 3.660 3.178 3.976 . 0 0 "[ . 1 . 2]" 1
165 1 9 CYS H 1 31 CYS H 5.000 . 5.000 4.156 3.642 4.519 . 0 0 "[ . 1 . 2]" 1
166 1 9 CYS HA 1 10 ASN H 2.700 . 2.700 2.421 2.231 2.674 . 0 0 "[ . 1 . 2]" 1
167 1 9 CYS HA 1 15 GLN H 5.000 . 5.000 4.842 4.497 5.023 0.023 10 0 "[ . 1 . 2]" 1
168 1 9 CYS QB 1 10 ASN H 3.500 . 4.500 2.955 2.259 3.762 . 0 0 "[ . 1 . 2]" 1
169 1 9 CYS QB 1 15 GLN H 5.000 . 6.000 3.772 2.823 4.860 . 0 0 "[ . 1 . 2]" 1
170 1 9 CYS QB 1 24 CYS H 5.000 . 6.000 4.911 4.593 5.444 . 0 0 "[ . 1 . 2]" 1
171 1 9 CYS QB 1 30 TRP HA 5.000 . 6.000 3.087 2.054 3.872 . 0 0 "[ . 1 . 2]" 1
172 1 9 CYS QB 1 31 CYS H 5.000 . 6.000 3.245 2.606 3.968 . 0 0 "[ . 1 . 2]" 1
173 1 10 ASN H 1 10 ASN QB 3.500 . 4.500 2.220 2.054 2.478 . 0 0 "[ . 1 . 2]" 1
174 1 10 ASN H 1 11 PRO HA 6.000 . 6.000 5.345 4.979 5.624 . 0 0 "[ . 1 . 2]" 1
175 1 10 ASN H 1 11 PRO QD 5.000 . 6.000 4.390 4.217 4.427 . 0 0 "[ . 1 . 2]" 1
176 1 10 ASN H 1 13 ASN H 5.000 . 5.000 4.540 4.091 5.006 0.006 16 0 "[ . 1 . 2]" 1
177 1 10 ASN H 1 14 ASP HA 5.000 . 5.000 4.053 2.890 4.931 . 0 0 "[ . 1 . 2]" 1
178 1 10 ASN H 1 15 GLN H 5.000 . 5.000 4.161 3.524 4.980 . 0 0 "[ . 1 . 2]" 1
179 1 10 ASN HA 1 11 PRO HA 5.000 . 5.000 4.419 4.401 4.466 . 0 0 "[ . 1 . 2]" 1
180 1 10 ASN HA 1 11 PRO QB 5.000 . 6.000 4.591 4.559 4.620 . 0 0 "[ . 1 . 2]" 1
181 1 10 ASN HA 1 11 PRO QD 2.700 . 3.700 2.044 1.943 2.127 . 0 0 "[ . 1 . 2]" 1
182 1 10 ASN HA 1 12 SER H 5.000 . 5.000 4.196 3.863 4.701 . 0 0 "[ . 1 . 2]" 1
183 1 10 ASN HA 1 13 ASN H 5.000 . 5.000 4.524 4.282 4.738 . 0 0 "[ . 1 . 2]" 1
184 1 10 ASN QB 1 13 ASN H 3.500 . 4.500 2.232 2.019 2.452 . 0 0 "[ . 1 . 2]" 1
185 1 11 PRO HA 1 13 ASN H 5.000 . 5.000 4.575 3.992 4.891 . 0 0 "[ . 1 . 2]" 1
186 1 11 PRO QB 1 12 SER H 5.000 . 6.000 3.090 2.743 3.292 . 0 0 "[ . 1 . 2]" 1
187 1 11 PRO QB 1 13 ASN H 5.000 . 6.000 5.010 4.670 5.242 . 0 0 "[ . 1 . 2]" 1
188 1 11 PRO QB 1 26 ARG H 5.000 . 6.000 4.760 3.812 5.212 . 0 0 "[ . 1 . 2]" 1
189 1 11 PRO QD 1 12 SER H 5.000 . 6.000 2.570 2.484 2.697 . 0 0 "[ . 1 . 2]" 1
190 1 11 PRO QD 1 13 ASN H 5.000 . 6.000 3.964 3.533 4.364 . 0 0 "[ . 1 . 2]" 1
191 1 11 PRO QG 1 12 SER H 5.000 . 6.000 2.263 1.937 2.539 . 0 0 "[ . 1 . 2]" 1
192 1 11 PRO QG 1 13 ASN H 5.000 . 6.000 4.572 4.041 4.944 . 0 0 "[ . 1 . 2]" 1
193 1 12 SER H 1 12 SER QB 2.700 . 3.700 2.232 1.953 2.550 . 0 0 "[ . 1 . 2]" 1
194 1 12 SER H 1 13 ASN H 2.700 . 2.700 2.533 2.327 2.703 0.003 20 0 "[ . 1 . 2]" 1
195 1 12 SER H 1 14 ASP H 6.000 . 6.000 5.447 4.988 5.949 . 0 0 "[ . 1 . 2]" 1
196 1 12 SER HA 1 13 ASN H 5.000 . 5.000 3.550 3.300 3.589 . 0 0 "[ . 1 . 2]" 1
197 1 12 SER HA 1 14 ASP H 5.000 . 5.000 4.790 4.055 5.042 0.042 12 0 "[ . 1 . 2]" 1
198 1 12 SER QB 1 13 ASN H 3.500 . 4.500 2.799 2.304 3.487 . 0 0 "[ . 1 . 2]" 1
199 1 13 ASN H 1 13 ASN QB 3.500 . 4.500 2.341 2.088 3.063 . 0 0 "[ . 1 . 2]" 1
200 1 13 ASN H 1 14 ASP H 5.000 . 5.000 3.728 3.465 4.084 . 0 0 "[ . 1 . 2]" 1
201 1 13 ASN H 1 14 ASP HA 5.000 . 5.000 4.721 4.375 5.000 . 0 0 "[ . 1 . 2]" 1
202 1 13 ASN H 1 14 ASP QB 5.000 . 6.000 5.004 4.760 5.243 . 0 0 "[ . 1 . 2]" 1
203 1 13 ASN HA 1 14 ASP H 2.700 . 2.700 2.430 2.314 2.645 . 0 0 "[ . 1 . 2]" 1
204 1 13 ASN QB 1 14 ASP H 5.000 . 6.000 3.977 3.890 4.044 . 0 0 "[ . 1 . 2]" 1
205 1 14 ASP H 1 14 ASP QB 2.700 . 3.700 2.218 1.955 2.564 . 0 0 "[ . 1 . 2]" 1
206 1 14 ASP H 1 15 GLN H 5.000 . 5.000 4.433 4.283 4.660 . 0 0 "[ . 1 . 2]" 1
207 1 14 ASP H 1 15 GLN QG 5.000 . 6.000 4.543 3.910 5.262 . 0 0 "[ . 1 . 2]" 1
208 1 14 ASP H 1 24 CYS QB 5.000 . 6.000 4.892 4.341 5.390 . 0 0 "[ . 1 . 2]" 1
209 1 14 ASP HA 1 15 GLN H 2.700 . 2.700 2.235 2.191 2.281 . 0 0 "[ . 1 . 2]" 1
210 1 14 ASP HA 1 16 CYS H 5.000 . 5.000 3.882 3.527 4.201 . 0 0 "[ . 1 . 2]" 1
211 1 14 ASP HA 1 24 CYS H 5.000 . 5.000 4.552 3.716 5.013 0.013 19 0 "[ . 1 . 2]" 1
212 1 14 ASP HA 1 24 CYS QB 5.000 . 6.000 2.808 2.374 3.377 . 0 0 "[ . 1 . 2]" 1
213 1 14 ASP QB 1 15 GLN H 5.000 . 6.000 3.761 3.142 4.029 . 0 0 "[ . 1 . 2]" 1
214 1 14 ASP QB 1 16 CYS H 5.000 . 6.000 3.950 3.263 4.769 . 0 0 "[ . 1 . 2]" 1
215 1 14 ASP QB 1 24 CYS H 5.000 . 6.000 3.965 2.708 5.078 . 0 0 "[ . 1 . 2]" 1
216 1 15 GLN H 1 15 GLN QB 3.500 . 4.500 2.365 2.198 2.458 . 0 0 "[ . 1 . 2]" 1
217 1 15 GLN H 1 15 GLN QG 3.500 . 4.500 3.287 2.684 3.877 . 0 0 "[ . 1 . 2]" 1
218 1 15 GLN H 1 16 CYS H 3.500 . 3.500 2.732 2.316 3.081 . 0 0 "[ . 1 . 2]" 1
219 1 15 GLN H 1 16 CYS HA 5.000 . 5.000 4.466 4.289 4.661 . 0 0 "[ . 1 . 2]" 1
220 1 15 GLN H 1 16 CYS QB 5.000 . 6.000 4.191 3.740 4.691 . 0 0 "[ . 1 . 2]" 1
221 1 15 GLN HA 1 16 CYS H 3.500 . 3.500 2.913 2.724 3.126 . 0 0 "[ . 1 . 2]" 1
222 1 15 GLN QB 1 16 CYS H 5.000 . 6.000 3.823 3.670 3.914 . 0 0 "[ . 1 . 2]" 1
223 1 15 GLN QG 1 16 CYS H 5.000 . 6.000 4.568 4.437 4.740 . 0 0 "[ . 1 . 2]" 1
224 1 16 CYS H 1 16 CYS QB 2.700 . 3.700 2.150 2.007 2.368 . 0 0 "[ . 1 . 2]" 1
225 1 16 CYS H 1 17 CYS H 5.000 . 5.000 4.673 4.638 4.698 . 0 0 "[ . 1 . 2]" 1
226 1 16 CYS H 1 17 CYS HA 6.000 . 6.000 5.603 5.449 5.760 . 0 0 "[ . 1 . 2]" 1
227 1 16 CYS H 1 23 VAL HA 5.000 . 5.000 4.566 4.148 5.033 0.033 13 0 "[ . 1 . 2]" 1
228 1 16 CYS H 1 24 CYS H 5.000 . 5.000 4.160 3.694 4.540 . 0 0 "[ . 1 . 2]" 1
229 1 16 CYS H 1 24 CYS HA 6.000 . 6.000 5.567 4.963 6.006 0.006 9 0 "[ . 1 . 2]" 1
230 1 16 CYS H 1 24 CYS QB 5.000 . 6.000 3.943 3.141 4.949 . 0 0 "[ . 1 . 2]" 1
231 1 16 CYS HA 1 17 CYS H 2.700 . 2.700 2.389 2.312 2.449 . 0 0 "[ . 1 . 2]" 1
232 1 16 CYS QB 1 17 CYS H 2.700 . 3.700 2.973 2.601 3.296 . 0 0 "[ . 1 . 2]" 1
233 1 16 CYS QB 1 22 LEU H 5.000 . 6.000 4.198 3.564 5.018 . 0 0 "[ . 1 . 2]" 1
234 1 16 CYS QB 1 23 VAL H 5.000 . 6.000 3.924 3.555 4.262 . 0 0 "[ . 1 . 2]" 1
235 1 16 CYS QB 1 23 VAL HA 5.000 . 6.000 2.564 2.195 3.054 . 0 0 "[ . 1 . 2]" 1
236 1 16 CYS QB 1 24 CYS H 5.000 . 6.000 2.944 2.475 3.726 . 0 0 "[ . 1 . 2]" 1
237 1 16 CYS QB 1 32 LYS H 5.000 . 6.000 4.818 4.426 5.220 . 0 0 "[ . 1 . 2]" 1
238 1 17 CYS H 1 17 CYS QB 2.700 . 3.700 2.220 1.954 2.415 . 0 0 "[ . 1 . 2]" 1
239 1 17 CYS H 1 18 LYS H 5.000 . 5.000 4.437 4.031 4.599 . 0 0 "[ . 1 . 2]" 1
240 1 17 CYS H 1 18 LYS HA 6.000 . 6.000 5.368 5.199 5.522 . 0 0 "[ . 1 . 2]" 1
241 1 17 CYS H 1 20 SER H 6.000 . 6.000 5.358 5.197 5.542 . 0 0 "[ . 1 . 2]" 1
242 1 17 CYS H 1 20 SER QB 5.000 . 6.000 4.808 4.412 5.374 . 0 0 "[ . 1 . 2]" 1
243 1 17 CYS H 1 22 LEU H 5.000 . 5.000 4.820 4.519 5.016 0.016 10 0 "[ . 1 . 2]" 1
244 1 17 CYS H 1 22 LEU MD1 5.000 . 7.400 3.022 2.238 3.668 . 0 0 "[ . 1 . 2]" 1
245 1 17 CYS H 1 22 LEU MD2 5.000 . 7.400 5.017 4.497 5.411 . 0 0 "[ . 1 . 2]" 1
246 1 17 CYS H 1 31 CYS QB 5.000 . 6.000 4.401 3.906 5.065 . 0 0 "[ . 1 . 2]" 1
247 1 17 CYS HA 1 18 LYS H 2.700 . 2.700 2.231 2.194 2.411 . 0 0 "[ . 1 . 2]" 1
248 1 17 CYS HA 1 20 SER H 5.000 . 5.000 4.595 3.895 5.015 0.015 14 0 "[ . 1 . 2]" 1
249 1 17 CYS HA 1 22 LEU H 6.000 . 6.000 5.485 5.260 5.700 . 0 0 "[ . 1 . 2]" 1
250 1 17 CYS QB 1 18 LYS H 3.500 . 4.500 3.663 3.390 3.921 . 0 0 "[ . 1 . 2]" 1
251 1 17 CYS QB 1 20 SER H 3.500 . 4.500 2.822 2.550 3.114 . 0 0 "[ . 1 . 2]" 1
252 1 17 CYS QB 1 21 LYS H 5.000 . 6.000 4.791 4.436 5.079 . 0 0 "[ . 1 . 2]" 1
253 1 17 CYS QB 1 22 LEU H 5.000 . 6.000 4.251 3.875 4.652 . 0 0 "[ . 1 . 2]" 1
254 1 18 LYS H 1 18 LYS QB 2.700 . 3.700 2.143 1.962 2.453 . 0 0 "[ . 1 . 2]" 1
255 1 18 LYS H 1 18 LYS QD 5.000 . 6.000 3.936 2.784 4.522 . 0 0 "[ . 1 . 2]" 1
256 1 18 LYS H 1 18 LYS QG 3.500 . 4.500 3.235 2.013 3.958 . 0 0 "[ . 1 . 2]" 1
257 1 18 LYS H 1 22 LEU H 6.000 . 6.000 4.968 4.669 5.254 . 0 0 "[ . 1 . 2]" 1
258 1 18 LYS HA 1 21 LYS H 5.000 . 5.000 3.512 3.262 4.037 . 0 0 "[ . 1 . 2]" 1
259 1 18 LYS HA 1 22 LEU H 3.500 . 3.500 2.967 2.667 3.209 . 0 0 "[ . 1 . 2]" 1
260 1 18 LYS QB 1 20 SER H 5.000 . 6.000 4.849 4.493 5.206 . 0 0 "[ . 1 . 2]" 1
261 1 19 SER H 1 20 SER H 5.000 . 5.000 2.713 2.595 2.795 . 0 0 "[ . 1 . 2]" 1
262 1 19 SER H 1 21 LYS H 5.000 . 5.000 4.120 3.992 4.428 . 0 0 "[ . 1 . 2]" 1
263 1 19 SER H 1 22 LEU H 6.000 . 6.000 5.146 4.880 5.486 . 0 0 "[ . 1 . 2]" 1
264 1 19 SER HA 1 20 SER H 5.000 . 5.000 3.557 3.491 3.580 . 0 0 "[ . 1 . 2]" 1
265 1 19 SER HA 1 21 LYS H 5.000 . 5.000 3.839 3.693 3.987 . 0 0 "[ . 1 . 2]" 1
266 1 19 SER QB 1 20 SER H 5.000 . 6.000 2.841 2.455 3.478 . 0 0 "[ . 1 . 2]" 1
267 1 20 SER H 1 20 SER QB 3.500 . 4.500 2.222 2.078 2.285 . 0 0 "[ . 1 . 2]" 1
268 1 20 SER H 1 21 LYS H 2.700 . 2.700 2.665 2.526 2.728 0.028 19 0 "[ . 1 . 2]" 1
269 1 20 SER H 1 21 LYS HA 5.000 . 5.000 4.802 4.713 4.872 . 0 0 "[ . 1 . 2]" 1
270 1 20 SER H 1 22 LEU H 5.000 . 5.000 3.955 3.516 4.463 . 0 0 "[ . 1 . 2]" 1
271 1 20 SER H 1 22 LEU QB 5.000 . 6.000 4.443 3.949 4.875 . 0 0 "[ . 1 . 2]" 1
272 1 20 SER H 1 22 LEU MD1 5.000 . 7.400 3.743 3.176 4.194 . 0 0 "[ . 1 . 2]" 1
273 1 20 SER H 1 22 LEU MD2 5.000 . 7.400 5.464 4.860 5.968 . 0 0 "[ . 1 . 2]" 1
274 1 20 SER H 1 22 LEU HG 5.000 . 5.000 4.151 3.509 4.769 . 0 0 "[ . 1 . 2]" 1
275 1 20 SER HA 1 21 LYS H 3.500 . 3.500 3.159 3.035 3.240 . 0 0 "[ . 1 . 2]" 1
276 1 20 SER HA 1 22 LEU H 6.000 . 6.000 5.266 4.835 5.755 . 0 0 "[ . 1 . 2]" 1
277 1 20 SER QB 1 21 LYS H 5.000 . 6.000 3.618 3.508 3.728 . 0 0 "[ . 1 . 2]" 1
278 1 20 SER QB 1 22 LEU H 5.000 . 6.000 3.933 3.491 4.354 . 0 0 "[ . 1 . 2]" 1
279 1 21 LYS H 1 21 LYS HA 2.700 . 2.700 2.353 2.348 2.362 . 0 0 "[ . 1 . 2]" 1
280 1 21 LYS H 1 21 LYS QB 3.500 . 4.500 2.974 2.817 3.328 . 0 0 "[ . 1 . 2]" 1
281 1 21 LYS H 1 21 LYS QD 5.000 . 6.000 3.076 2.523 4.241 . 0 0 "[ . 1 . 2]" 1
282 1 21 LYS H 1 21 LYS QE 5.000 . 6.000 4.637 2.986 5.370 . 0 0 "[ . 1 . 2]" 1
283 1 21 LYS H 1 22 LEU H 3.500 . 3.500 3.013 2.821 3.260 . 0 0 "[ . 1 . 2]" 1
284 1 21 LYS H 1 22 LEU HA 6.000 . 6.000 5.461 5.419 5.501 . 0 0 "[ . 1 . 2]" 1
285 1 21 LYS H 1 22 LEU QB 5.000 . 6.000 4.737 4.607 4.888 . 0 0 "[ . 1 . 2]" 1
286 1 21 LYS H 1 22 LEU MD1 5.000 . 7.400 4.779 4.363 5.036 . 0 0 "[ . 1 . 2]" 1
287 1 21 LYS H 1 22 LEU MD2 5.000 . 7.400 5.281 4.829 5.711 . 0 0 "[ . 1 . 2]" 1
288 1 21 LYS H 1 22 LEU HG 5.000 . 5.000 4.075 3.714 4.466 . 0 0 "[ . 1 . 2]" 1
289 1 21 LYS HA 1 22 LEU H 3.500 . 3.500 2.684 2.473 2.898 . 0 0 "[ . 1 . 2]" 1
290 1 21 LYS HA 1 34 GLN H 5.000 . 5.000 4.646 3.595 4.991 . 0 0 "[ . 1 . 2]" 1
291 1 21 LYS QB 1 22 LEU H 5.000 . 6.000 3.940 3.860 4.014 . 0 0 "[ . 1 . 2]" 1
292 1 21 LYS QD 1 22 LEU H 5.000 . 6.000 4.739 4.286 5.226 . 0 0 "[ . 1 . 2]" 1
293 1 21 LYS QG 1 22 LEU H 5.000 . 6.000 4.500 4.079 4.741 . 0 0 "[ . 1 . 2]" 1
294 1 22 LEU H 1 22 LEU QB 3.500 . 4.500 2.415 2.219 2.517 . 0 0 "[ . 1 . 2]" 1
295 1 22 LEU H 1 22 LEU MD1 3.500 . 5.900 3.763 3.499 3.944 . 0 0 "[ . 1 . 2]" 1
296 1 22 LEU H 1 22 LEU MD2 3.500 . 5.900 3.885 3.635 4.135 . 0 0 "[ . 1 . 2]" 1
297 1 22 LEU H 1 22 LEU HG 5.000 . 5.000 2.808 2.515 3.137 . 0 0 "[ . 1 . 2]" 1
298 1 22 LEU H 1 23 VAL H 5.000 . 5.000 4.518 4.368 4.611 . 0 0 "[ . 1 . 2]" 1
299 1 22 LEU H 1 23 VAL HA 6.000 . 6.000 5.027 4.847 5.272 . 0 0 "[ . 1 . 2]" 1
300 1 22 LEU H 1 34 GLN H 6.000 . 6.000 4.982 4.540 5.247 . 0 0 "[ . 1 . 2]" 1
301 1 22 LEU HA 1 23 VAL H 2.700 . 2.700 2.291 2.240 2.364 . 0 0 "[ . 1 . 2]" 1
302 1 22 LEU HA 1 23 VAL HA 5.000 . 5.000 4.529 4.503 4.554 . 0 0 "[ . 1 . 2]" 1
303 1 22 LEU HA 1 32 LYS H 5.000 . 5.000 4.414 4.230 4.625 . 0 0 "[ . 1 . 2]" 1
304 1 22 LEU HA 1 33 TYR H 5.000 . 5.000 4.489 4.020 4.758 . 0 0 "[ . 1 . 2]" 1
305 1 22 LEU HA 1 33 TYR HA 2.700 . 2.700 2.397 1.987 2.732 0.032 12 0 "[ . 1 . 2]" 1
306 1 22 LEU HA 1 33 TYR QD 5.000 . 7.400 5.477 4.543 5.771 . 0 0 "[ . 1 . 2]" 1
307 1 22 LEU HA 1 34 GLN H 3.500 . 3.500 3.292 2.885 3.530 0.030 10 0 "[ . 1 . 2]" 1
308 1 22 LEU QB 1 23 VAL H 5.000 . 6.000 2.970 2.750 3.201 . 0 0 "[ . 1 . 2]" 1
309 1 22 LEU QB 1 23 VAL HA 5.000 . 6.000 4.151 4.102 4.206 . 0 0 "[ . 1 . 2]" 1
310 1 22 LEU MD1 1 23 VAL H 5.000 . 7.400 4.932 4.761 5.114 . 0 0 "[ . 1 . 2]" 1
311 1 22 LEU MD1 1 31 CYS H 6.000 . 8.400 6.154 5.519 6.557 . 0 0 "[ . 1 . 2]" 1
312 1 22 LEU MD1 1 31 CYS HA 5.000 . 7.400 5.583 5.184 5.945 . 0 0 "[ . 1 . 2]" 1
313 1 22 LEU MD1 1 32 LYS HA 5.000 . 7.400 5.431 4.840 5.963 . 0 0 "[ . 1 . 2]" 1
314 1 22 LEU MD1 1 33 TYR H 5.000 . 7.400 5.490 4.852 6.024 . 0 0 "[ . 1 . 2]" 1
315 1 22 LEU MD1 1 34 GLN H 5.000 . 7.400 6.010 5.725 6.231 . 0 0 "[ . 1 . 2]" 1
316 1 22 LEU MD2 1 23 VAL H 5.000 . 7.400 3.353 3.079 3.535 . 0 0 "[ . 1 . 2]" 1
317 1 22 LEU MD2 1 31 CYS H 6.000 . 8.400 5.991 5.205 6.430 . 0 0 "[ . 1 . 2]" 1
318 1 22 LEU MD2 1 31 CYS HA 5.000 . 7.400 4.912 4.153 5.387 . 0 0 "[ . 1 . 2]" 1
319 1 22 LEU MD2 1 32 LYS HA 5.000 . 7.400 3.476 2.925 3.923 . 0 0 "[ . 1 . 2]" 1
320 1 22 LEU MD2 1 33 TYR H 5.000 . 7.400 3.100 2.488 3.686 . 0 0 "[ . 1 . 2]" 1
321 1 22 LEU MD2 1 34 GLN H 5.000 . 7.400 3.720 3.401 4.113 . 0 0 "[ . 1 . 2]" 1
322 1 22 LEU HG 1 23 VAL H 5.000 . 5.000 4.930 4.780 5.061 0.061 10 0 "[ . 1 . 2]" 1
323 1 23 VAL H 1 24 CYS H 5.000 . 5.000 4.404 4.261 4.482 . 0 0 "[ . 1 . 2]" 1
324 1 23 VAL H 1 24 CYS HA 5.000 . 5.000 4.885 4.748 5.021 0.021 2 0 "[ . 1 . 2]" 1
325 1 23 VAL H 1 24 CYS QB 6.000 . 7.000 5.780 5.510 6.098 . 0 0 "[ . 1 . 2]" 1
326 1 23 VAL H 1 25 SER H 6.000 . 6.000 5.473 5.032 5.701 . 0 0 "[ . 1 . 2]" 1
327 1 23 VAL H 1 31 CYS HA 5.000 . 5.000 4.108 3.794 4.344 . 0 0 "[ . 1 . 2]" 1
328 1 23 VAL H 1 31 CYS QB 5.000 . 6.000 4.377 3.670 5.002 . 0 0 "[ . 1 . 2]" 1
329 1 23 VAL H 1 32 LYS H 2.700 . 2.700 2.693 2.456 2.727 0.027 11 0 "[ . 1 . 2]" 1
330 1 23 VAL H 1 32 LYS QB 5.000 . 6.000 3.985 3.511 4.892 . 0 0 "[ . 1 . 2]" 1
331 1 23 VAL H 1 32 LYS QG 5.000 . 6.000 5.010 3.529 5.433 . 0 0 "[ . 1 . 2]" 1
332 1 23 VAL H 1 33 TYR H 5.000 . 5.000 4.772 4.462 4.930 . 0 0 "[ . 1 . 2]" 1
333 1 23 VAL H 1 33 TYR HA 5.000 . 5.000 3.780 3.414 4.161 . 0 0 "[ . 1 . 2]" 1
334 1 23 VAL H 1 34 GLN H 5.000 . 5.000 4.463 3.909 5.001 0.001 12 0 "[ . 1 . 2]" 1
335 1 23 VAL H 1 34 GLN HA 5.000 . 5.000 4.827 4.469 5.024 0.024 1 0 "[ . 1 . 2]" 1
336 1 23 VAL HA 1 24 CYS H 2.700 . 2.700 2.271 2.212 2.403 . 0 0 "[ . 1 . 2]" 1
337 1 23 VAL HA 1 32 LYS H 5.000 . 5.000 4.572 4.403 4.734 . 0 0 "[ . 1 . 2]" 1
338 1 23 VAL HB 1 24 CYS H 3.500 . 3.500 3.164 2.891 3.580 0.080 17 0 "[ . 1 . 2]" 1
339 1 23 VAL MG1 1 24 CYS H 3.500 . 5.900 3.787 2.187 4.017 . 0 0 "[ . 1 . 2]" 1
340 1 23 VAL MG1 1 25 SER H 6.000 . 8.400 6.253 4.808 6.600 . 0 0 "[ . 1 . 2]" 1
341 1 23 VAL MG1 1 32 LYS H 5.000 . 7.400 5.034 4.765 5.185 . 0 0 "[ . 1 . 2]" 1
342 1 23 VAL MG1 1 34 GLN H 5.000 . 7.400 4.212 3.684 6.134 . 0 0 "[ . 1 . 2]" 1
343 1 23 VAL MG1 1 35 ILE H 5.000 . 7.400 5.286 3.872 6.069 . 0 0 "[ . 1 . 2]" 1
344 1 23 VAL MG2 1 24 CYS H 3.500 . 5.900 3.985 3.757 4.172 . 0 0 "[ . 1 . 2]" 1
345 1 23 VAL MG2 1 25 SER H 6.000 . 8.400 4.412 3.980 6.206 . 0 0 "[ . 1 . 2]" 1
346 1 23 VAL MG2 1 32 LYS H 5.000 . 7.400 3.133 2.707 4.576 . 0 0 "[ . 1 . 2]" 1
347 1 23 VAL MG2 1 34 GLN H 5.000 . 7.400 3.633 2.835 4.325 . 0 0 "[ . 1 . 2]" 1
348 1 23 VAL MG2 1 35 ILE H 5.000 . 7.400 4.182 2.726 4.703 . 0 0 "[ . 1 . 2]" 1
349 1 24 CYS H 1 24 CYS QB 2.700 . 3.700 2.204 2.098 2.401 . 0 0 "[ . 1 . 2]" 1
350 1 24 CYS H 1 25 SER H 5.000 . 5.000 4.460 4.314 4.576 . 0 0 "[ . 1 . 2]" 1
351 1 24 CYS H 1 31 CYS HA 5.000 . 5.000 4.227 3.962 4.542 . 0 0 "[ . 1 . 2]" 1
352 1 24 CYS H 1 32 LYS H 5.000 . 5.000 4.704 4.434 4.980 . 0 0 "[ . 1 . 2]" 1
353 1 24 CYS HA 1 25 SER H 2.700 . 2.700 2.222 2.196 2.263 . 0 0 "[ . 1 . 2]" 1
354 1 24 CYS HA 1 30 TRP H 6.000 . 6.000 5.032 4.400 5.513 . 0 0 "[ . 1 . 2]" 1
355 1 24 CYS HA 1 30 TRP HA 5.000 . 5.000 4.680 4.226 4.938 . 0 0 "[ . 1 . 2]" 1
356 1 24 CYS HA 1 31 CYS H 5.000 . 5.000 4.283 4.073 4.611 . 0 0 "[ . 1 . 2]" 1
357 1 24 CYS HA 1 31 CYS HA 2.700 . 2.700 2.187 1.882 2.608 . 0 0 "[ . 1 . 2]" 1
358 1 24 CYS HA 1 32 LYS H 5.000 . 5.000 3.481 3.133 3.888 . 0 0 "[ . 1 . 2]" 1
359 1 24 CYS QB 1 25 SER H 5.000 . 6.000 3.812 3.464 4.003 . 0 0 "[ . 1 . 2]" 1
360 1 25 SER H 1 25 SER QB 2.700 . 3.700 2.188 2.065 2.394 . 0 0 "[ . 1 . 2]" 1
361 1 25 SER H 1 26 ARG H 5.000 . 5.000 4.471 4.247 4.611 . 0 0 "[ . 1 . 2]" 1
362 1 25 SER H 1 28 THR H 6.000 . 6.000 4.920 4.637 5.121 . 0 0 "[ . 1 . 2]" 1
363 1 25 SER H 1 29 ARG H 5.000 . 5.000 4.856 4.441 5.006 0.006 16 0 "[ . 1 . 2]" 1
364 1 25 SER H 1 30 TRP H 5.000 . 5.000 3.685 3.464 4.122 . 0 0 "[ . 1 . 2]" 1
365 1 25 SER H 1 30 TRP HA 5.000 . 5.000 4.688 4.291 4.887 . 0 0 "[ . 1 . 2]" 1
366 1 25 SER H 1 30 TRP HD1 5.000 . 5.000 4.427 4.133 4.692 . 0 0 "[ . 1 . 2]" 1
367 1 25 SER H 1 31 CYS H 5.000 . 5.000 4.840 4.465 5.022 0.022 4 0 "[ . 1 . 2]" 1
368 1 25 SER H 1 31 CYS HA 3.500 . 3.500 3.137 2.815 3.419 . 0 0 "[ . 1 . 2]" 1
369 1 25 SER H 1 32 LYS H 3.500 . 3.500 3.467 3.044 3.540 0.040 18 0 "[ . 1 . 2]" 1
370 1 25 SER H 1 32 LYS QB 5.000 . 6.000 3.647 3.266 4.295 . 0 0 "[ . 1 . 2]" 1
371 1 25 SER HA 1 26 ARG H 2.700 . 2.700 2.229 2.195 2.315 . 0 0 "[ . 1 . 2]" 1
372 1 25 SER HA 1 27 LYS H 5.000 . 5.000 3.918 3.574 4.383 . 0 0 "[ . 1 . 2]" 1
373 1 25 SER HA 1 28 THR H 5.000 . 5.000 4.642 4.364 4.987 . 0 0 "[ . 1 . 2]" 1
374 1 25 SER HA 1 29 ARG H 6.000 . 6.000 5.277 5.124 5.447 . 0 0 "[ . 1 . 2]" 1
375 1 25 SER HA 1 30 TRP H 6.000 . 6.000 5.603 5.200 5.951 . 0 0 "[ . 1 . 2]" 1
376 1 25 SER QB 1 26 ARG H 5.000 . 6.000 3.490 2.960 3.809 . 0 0 "[ . 1 . 2]" 1
377 1 25 SER QB 1 27 LYS H 5.000 . 6.000 3.323 2.803 4.438 . 0 0 "[ . 1 . 2]" 1
378 1 25 SER QB 1 28 THR H 3.500 . 4.500 2.518 2.166 3.404 . 0 0 "[ . 1 . 2]" 1
379 1 25 SER QB 1 29 ARG H 5.000 . 5.000 3.769 3.431 4.065 . 0 0 "[ . 1 . 2]" 1
380 1 25 SER QB 1 30 TRP H 3.500 . 4.500 3.662 3.312 4.010 . 0 0 "[ . 1 . 2]" 1
381 1 25 SER QB 1 30 TRP HD1 5.000 . 6.000 4.223 3.685 4.728 . 0 0 "[ . 1 . 2]" 1
382 1 26 ARG H 1 26 ARG QB 2.700 . 3.700 2.221 1.959 2.450 . 0 0 "[ . 1 . 2]" 1
383 1 26 ARG H 1 27 LYS H 3.500 . 3.500 2.595 2.472 2.795 . 0 0 "[ . 1 . 2]" 1
384 1 26 ARG H 1 27 LYS HA 6.000 . 6.000 5.263 5.149 5.437 . 0 0 "[ . 1 . 2]" 1
385 1 26 ARG H 1 28 THR H 5.000 . 5.000 4.350 4.077 4.573 . 0 0 "[ . 1 . 2]" 1
386 1 26 ARG H 1 29 ARG H 6.000 . 6.000 4.628 4.462 4.749 . 0 0 "[ . 1 . 2]" 1
387 1 26 ARG HA 1 27 LYS H 5.000 . 5.000 3.549 3.502 3.590 . 0 0 "[ . 1 . 2]" 1
388 1 26 ARG QB 1 27 LYS H 5.000 . 6.000 2.861 2.372 3.617 . 0 0 "[ . 1 . 2]" 1
389 1 26 ARG QD 1 27 LYS H 5.000 . 6.000 4.526 3.742 5.279 . 0 0 "[ . 1 . 2]" 1
390 1 26 ARG QG 1 27 LYS H 5.000 . 6.000 3.577 2.034 4.495 . 0 0 "[ . 1 . 2]" 1
391 1 27 LYS H 1 27 LYS QB 2.700 . 3.700 2.124 1.940 2.390 . 0 0 "[ . 1 . 2]" 1
392 1 27 LYS H 1 28 THR H 3.500 . 3.500 2.746 2.551 2.883 . 0 0 "[ . 1 . 2]" 1
393 1 27 LYS H 1 28 THR MG 5.000 . 7.400 4.422 3.837 5.249 . 0 0 "[ . 1 . 2]" 1
394 1 27 LYS HA 1 28 THR H 5.000 . 5.000 3.575 3.508 3.599 . 0 0 "[ . 1 . 2]" 1
395 1 27 LYS HA 1 29 ARG H 5.000 . 5.000 4.245 4.122 4.400 . 0 0 "[ . 1 . 2]" 1
396 1 27 LYS QB 1 28 THR H 5.000 . 6.000 2.586 2.192 3.599 . 0 0 "[ . 1 . 2]" 1
397 1 27 LYS QG 1 28 THR H 5.000 . 6.000 3.785 1.934 4.484 . 0 0 "[ . 1 . 2]" 1
398 1 28 THR H 1 29 ARG H 2.700 . 2.700 2.372 2.136 2.470 . 0 0 "[ . 1 . 2]" 1
399 1 28 THR H 1 29 ARG HA 5.000 . 5.000 4.706 4.460 4.810 . 0 0 "[ . 1 . 2]" 1
400 1 28 THR HA 1 29 ARG H 3.500 . 3.500 3.445 3.354 3.501 0.001 8 0 "[ . 1 . 2]" 1
401 1 28 THR HA 1 30 TRP HE1 5.000 . 5.000 4.872 4.669 5.020 0.020 7 0 "[ . 1 . 2]" 1
402 1 28 THR HA 1 30 TRP HZ2 5.000 . 5.000 4.317 4.132 4.542 . 0 0 "[ . 1 . 2]" 1
403 1 28 THR HB 1 29 ARG H 5.000 . 5.000 4.043 3.729 4.231 . 0 0 "[ . 1 . 2]" 1
404 1 28 THR HB 1 30 TRP H 5.000 . 5.000 3.363 2.907 3.926 . 0 0 "[ . 1 . 2]" 1
405 1 28 THR HB 1 30 TRP HD1 5.000 . 5.000 3.585 3.162 3.960 . 0 0 "[ . 1 . 2]" 1
406 1 28 THR HB 1 30 TRP HE1 3.500 . 3.500 2.472 2.310 2.668 . 0 0 "[ . 1 . 2]" 1
407 1 28 THR HB 1 30 TRP HE3 5.000 . 5.000 4.820 4.414 4.997 . 0 0 "[ . 1 . 2]" 1
408 1 28 THR HB 1 30 TRP HZ2 5.000 . 5.000 3.162 2.848 3.551 . 0 0 "[ . 1 . 2]" 1
409 1 28 THR MG 1 29 ARG H 5.000 . 7.400 4.085 3.694 4.381 . 0 0 "[ . 1 . 2]" 1
410 1 28 THR MG 1 30 TRP H 5.000 . 7.400 4.357 4.146 4.527 . 0 0 "[ . 1 . 2]" 1
411 1 28 THR MG 1 30 TRP HE1 5.000 . 7.400 2.948 2.234 3.293 . 0 0 "[ . 1 . 2]" 1
412 1 28 THR MG 1 30 TRP HE3 5.000 . 7.400 5.950 5.472 6.215 . 0 0 "[ . 1 . 2]" 1
413 1 28 THR MG 1 30 TRP HZ2 5.000 . 7.400 3.319 2.652 3.871 . 0 0 "[ . 1 . 2]" 1
414 1 29 ARG H 1 29 ARG HA 2.700 . 2.700 2.350 2.344 2.355 . 0 0 "[ . 1 . 2]" 1
415 1 29 ARG H 1 29 ARG QD 5.000 . 6.000 4.646 3.056 5.354 . 0 0 "[ . 1 . 2]" 1
416 1 29 ARG H 1 30 TRP H 3.500 . 3.500 2.704 2.619 2.828 . 0 0 "[ . 1 . 2]" 1
417 1 29 ARG H 1 30 TRP HA 6.000 . 6.000 5.276 5.227 5.337 . 0 0 "[ . 1 . 2]" 1
418 1 29 ARG HA 1 30 TRP H 3.500 . 3.500 3.216 3.094 3.383 . 0 0 "[ . 1 . 2]" 1
419 1 29 ARG QB 1 30 TRP H 5.000 . 6.000 3.611 3.494 3.723 . 0 0 "[ . 1 . 2]" 1
420 1 29 ARG QG 1 30 TRP H 5.000 . 6.000 4.550 3.136 4.875 . 0 0 "[ . 1 . 2]" 1
421 1 30 TRP H 1 30 TRP QB 3.500 . 4.500 3.207 3.063 3.307 . 0 0 "[ . 1 . 2]" 1
422 1 30 TRP H 1 31 CYS H 5.000 . 5.000 4.426 4.390 4.457 . 0 0 "[ . 1 . 2]" 1
423 1 30 TRP H 1 31 CYS HA 6.000 . 6.000 5.018 4.952 5.169 . 0 0 "[ . 1 . 2]" 1
424 1 30 TRP HA 1 30 TRP HE3 5.000 . 5.000 4.780 4.720 4.832 . 0 0 "[ . 1 . 2]" 1
425 1 30 TRP HA 1 31 CYS H 2.700 . 2.700 2.585 2.514 2.682 . 0 0 "[ . 1 . 2]" 1
426 1 30 TRP QB 1 31 CYS H 3.500 . 4.500 2.241 2.100 2.418 . 0 0 "[ . 1 . 2]" 1
427 1 30 TRP HD1 1 31 CYS H 5.000 . 5.000 3.227 3.011 3.388 . 0 0 "[ . 1 . 2]" 1
428 1 30 TRP HD1 1 31 CYS HA 5.000 . 5.000 3.841 3.669 3.984 . 0 0 "[ . 1 . 2]" 1
429 1 30 TRP HD1 1 32 LYS H 5.000 . 5.000 3.995 3.615 4.265 . 0 0 "[ . 1 . 2]" 1
430 1 30 TRP HD1 1 32 LYS QB 5.000 . 6.000 3.079 2.570 4.017 . 0 0 "[ . 1 . 2]" 1
431 1 30 TRP HD1 1 32 LYS QD 5.000 . 6.000 4.510 3.702 5.422 . 0 0 "[ . 1 . 2]" 1
432 1 30 TRP HD1 1 32 LYS QG 5.000 . 6.000 4.143 2.353 4.978 . 0 0 "[ . 1 . 2]" 1
433 1 30 TRP HE1 1 32 LYS H 6.000 . 6.000 5.613 5.198 5.986 . 0 0 "[ . 1 . 2]" 1
434 1 30 TRP HE1 1 32 LYS QB 5.000 . 6.000 3.319 2.506 4.355 . 0 0 "[ . 1 . 2]" 1
435 1 30 TRP HE1 1 32 LYS QD 5.000 . 6.000 3.393 2.399 4.528 . 0 0 "[ . 1 . 2]" 1
436 1 30 TRP HE1 1 32 LYS QG 5.000 . 6.000 3.428 2.138 4.517 . 0 0 "[ . 1 . 2]" 1
437 1 31 CYS H 1 31 CYS QB 3.500 . 4.500 2.076 1.962 2.230 . 0 0 "[ . 1 . 2]" 1
438 1 31 CYS H 1 32 LYS H 5.000 . 5.000 4.605 4.485 4.662 . 0 0 "[ . 1 . 2]" 1
439 1 31 CYS HA 1 32 LYS H 2.700 . 2.700 2.220 2.197 2.251 . 0 0 "[ . 1 . 2]" 1
440 1 31 CYS QB 1 32 LYS H 3.500 . 4.500 3.434 3.277 3.693 . 0 0 "[ . 1 . 2]" 1
441 1 32 LYS H 1 32 LYS QB 3.500 . 4.500 2.478 2.265 3.020 . 0 0 "[ . 1 . 2]" 1
442 1 32 LYS H 1 32 LYS QD 5.000 . 6.000 4.672 4.253 5.081 . 0 0 "[ . 1 . 2]" 1
443 1 32 LYS H 1 33 TYR H 5.000 . 5.000 4.464 4.395 4.559 . 0 0 "[ . 1 . 2]" 1
444 1 32 LYS HA 1 33 TYR H 3.500 . 3.500 2.310 2.244 2.520 . 0 0 "[ . 1 . 2]" 1
445 1 32 LYS QB 1 33 TYR H 5.000 . 6.000 3.445 2.495 3.737 . 0 0 "[ . 1 . 2]" 1
446 1 32 LYS QD 1 33 TYR H 5.000 . 6.000 4.221 2.430 4.629 . 0 0 "[ . 1 . 2]" 1
447 1 32 LYS QG 1 33 TYR H 5.000 . 6.000 2.563 1.910 3.757 . 0 0 "[ . 1 . 2]" 1
448 1 33 TYR H 1 33 TYR QB 2.700 . 3.700 2.305 1.932 2.534 . 0 0 "[ . 1 . 2]" 1
449 1 33 TYR H 1 33 TYR QD 3.500 . 5.900 2.194 1.878 3.425 . 0 0 "[ . 1 . 2]" 1
450 1 33 TYR H 1 33 TYR QE 5.000 . 6.000 4.193 3.854 5.560 . 0 0 "[ . 1 . 2]" 1
451 1 33 TYR H 1 34 GLN H 5.000 . 5.000 4.686 4.658 4.702 . 0 0 "[ . 1 . 2]" 1
452 1 33 TYR HA 1 34 GLN H 2.700 . 2.700 2.300 2.235 2.413 . 0 0 "[ . 1 . 2]" 1
453 1 33 TYR QB 1 34 GLN H 5.000 . 6.000 2.984 2.633 3.351 . 0 0 "[ . 1 . 2]" 1
454 1 33 TYR QD 1 34 GLN H 5.000 . 7.400 3.530 2.413 4.009 . 0 0 "[ . 1 . 2]" 1
455 1 33 TYR QD 1 35 ILE H 5.000 . 7.400 4.466 3.877 5.522 . 0 0 "[ . 1 . 2]" 1
456 1 33 TYR QE 1 34 GLN H 5.000 . 7.400 5.562 4.187 6.162 . 0 0 "[ . 1 . 2]" 1
457 1 33 TYR QE 1 35 ILE H 5.000 . 7.400 5.048 4.105 6.462 . 0 0 "[ . 1 . 2]" 1
458 1 34 GLN H 1 35 ILE H 5.000 . 5.000 4.503 3.469 4.694 . 0 0 "[ . 1 . 2]" 1
459 1 34 GLN HA 1 35 ILE H 2.700 . 2.700 2.277 2.197 2.675 . 0 0 "[ . 1 . 2]" 1
460 1 34 GLN QB 1 35 ILE H 5.000 . 6.000 3.708 3.423 4.056 . 0 0 "[ . 1 . 2]" 1
461 1 34 GLN QG 1 35 ILE H 5.000 . 6.000 2.883 2.249 3.987 . 0 0 "[ . 1 . 2]" 1
462 1 35 ILE H 1 35 ILE HB 3.500 . 4.500 2.759 2.331 3.710 . 0 0 "[ . 1 . 2]" 1
463 1 35 ILE H 1 35 ILE MD 5.000 . 6.000 3.972 2.487 4.611 . 0 0 "[ . 1 . 2]" 1
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