NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395016 |
1rl1   |
6012 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rl1
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 547
_Distance_constraint_stats_list.Viol_count 38
_Distance_constraint_stats_list.Viol_total 13.423
_Distance_constraint_stats_list.Viol_max 0.048
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0177
_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 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 14 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TRP 0.027 0.014 3 0 "[ . 1 . 2]"
1 15 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 THR 0.023 0.014 9 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 0.141 0.048 9 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LYS 0.005 0.005 3 0 "[ . 1 . 2]"
1 43 GLU 0.141 0.048 9 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 TYR 0.000 0.000 14 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PRO 0.005 0.005 3 0 "[ . 1 . 2]"
1 66 ILE 0.067 0.037 9 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.021 0.011 7 0 "[ . 1 . 2]"
1 77 SER 0.021 0.011 7 0 "[ . 1 . 2]"
1 78 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.368 0.039 18 0 "[ . 1 . 2]"
1 85 LYS 0.003 0.003 3 0 "[ . 1 . 2]"
1 86 LYS 0.067 0.037 9 0 "[ . 1 . 2]"
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 VAL 0.010 0.005 15 0 "[ . 1 . 2]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TRP 0.376 0.039 18 0 "[ . 1 . 2]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LYS 0.009 0.009 7 0 "[ . 1 . 2]"
1 95 LEU 0.027 0.014 3 0 "[ . 1 . 2]"
1 96 GLU 0.009 0.009 7 0 "[ . 1 . 2]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 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 9 LYS H 1 10 ILE H . . 6.000 3.953 2.172 4.693 . 0 0 "[ . 1 . 2]" 1
2 1 9 LYS HA 1 10 ILE H . . 4.000 2.671 2.141 3.552 . 0 0 "[ . 1 . 2]" 1
3 1 9 LYS HA 1 57 ASN H . . 6.000 3.945 2.586 5.817 . 0 0 "[ . 1 . 2]" 1
4 1 10 ILE HA 1 11 LYS H . . 4.000 2.348 2.278 2.429 . 0 0 "[ . 1 . 2]" 1
5 1 10 ILE HA 1 56 TYR QD . . 6.000 3.580 2.328 4.674 . 0 0 "[ . 1 . 2]" 1
6 1 10 ILE HB 1 11 LYS H . . 6.000 4.033 3.915 4.139 . 0 0 "[ . 1 . 2]" 1
7 1 10 ILE HB 1 56 TYR QD . . 6.000 2.880 2.171 4.936 . 0 0 "[ . 1 . 2]" 1
8 1 10 ILE HB 1 56 TYR QE . . 6.000 4.545 2.873 6.000 . 14 0 "[ . 1 . 2]" 1
9 1 10 ILE MD 1 11 LYS H . . 6.500 3.855 2.250 4.941 . 0 0 "[ . 1 . 2]" 1
10 1 10 ILE MD 1 30 VAL HB . . 6.500 5.341 4.758 5.467 . 0 0 "[ . 1 . 2]" 1
11 1 10 ILE MD 1 56 TYR QD . . 6.500 2.507 2.117 3.241 . 0 0 "[ . 1 . 2]" 1
12 1 10 ILE MD 1 56 TYR QE . . 6.500 4.043 2.319 5.202 . 0 0 "[ . 1 . 2]" 1
13 1 10 ILE MG 1 11 LYS H . . 6.500 3.456 2.122 3.817 . 0 0 "[ . 1 . 2]" 1
14 1 10 ILE MG 1 11 LYS HA . . 6.500 4.342 3.977 4.737 . 0 0 "[ . 1 . 2]" 1
15 1 10 ILE MG 1 12 TYR HA . . 6.500 4.475 3.556 5.129 . 0 0 "[ . 1 . 2]" 1
16 1 10 ILE MG 1 25 LEU HA . . 6.500 3.955 2.445 4.871 . 0 0 "[ . 1 . 2]" 1
17 1 10 ILE MG 1 56 TYR QD . . 6.500 4.058 3.571 4.686 . 0 0 "[ . 1 . 2]" 1
18 1 11 LYS H 1 12 TYR H . . 6.000 4.598 4.395 4.739 . 0 0 "[ . 1 . 2]" 1
19 1 11 LYS HA 1 12 TYR H . . 4.000 2.279 2.120 2.403 . 0 0 "[ . 1 . 2]" 1
20 1 12 TYR H 1 12 TYR QD . . 5.000 2.897 2.152 4.285 . 0 0 "[ . 1 . 2]" 1
21 1 12 TYR H 1 13 ASP H . . 6.000 4.347 4.277 4.474 . 0 0 "[ . 1 . 2]" 1
22 1 12 TYR HA 1 13 ASP H . . 4.000 2.315 2.094 2.444 . 0 0 "[ . 1 . 2]" 1
23 1 12 TYR HA 1 13 ASP HA . . 6.000 4.548 4.445 4.627 . 0 0 "[ . 1 . 2]" 1
24 1 12 TYR HA 1 23 ILE MG . . 6.500 4.710 4.161 5.321 . 0 0 "[ . 1 . 2]" 1
25 1 12 TYR HA 1 25 LEU HA . . 4.500 2.540 2.246 3.146 . 0 0 "[ . 1 . 2]" 1
26 1 12 TYR HA 1 25 LEU MD2 . . 6.500 5.083 3.753 5.457 . 0 0 "[ . 1 . 2]" 1
27 1 12 TYR HA 1 26 MET H . . 5.000 2.672 2.149 3.531 . 0 0 "[ . 1 . 2]" 1
28 1 12 TYR QD 1 13 ASP H . . 5.000 3.178 2.503 4.486 . 0 0 "[ . 1 . 2]" 1
29 1 12 TYR QD 1 13 ASP HA . . 6.000 4.033 3.434 4.801 . 0 0 "[ . 1 . 2]" 1
30 1 12 TYR QD 1 14 TRP HD1 . . 6.000 3.839 3.083 4.638 . 0 0 "[ . 1 . 2]" 1
31 1 12 TYR QD 1 23 ILE MG . . 6.500 2.326 2.059 3.229 . 0 0 "[ . 1 . 2]" 1
32 1 12 TYR QD 1 25 LEU MD2 . . 6.500 4.787 2.209 5.300 . 0 0 "[ . 1 . 2]" 1
33 1 12 TYR QD 1 58 LEU MD1 . . 6.500 3.034 2.315 4.099 . 0 0 "[ . 1 . 2]" 1
34 1 12 TYR QD 1 58 LEU MD2 . . 6.500 2.967 2.510 4.812 . 0 0 "[ . 1 . 2]" 1
35 1 12 TYR QD 1 60 LEU MD2 . . 6.500 3.838 3.404 4.481 . 0 0 "[ . 1 . 2]" 1
36 1 12 TYR QE 1 13 ASP HA . . 6.000 4.720 4.132 5.752 . 0 0 "[ . 1 . 2]" 1
37 1 12 TYR QE 1 14 TRP HD1 . . 6.000 2.864 2.456 3.895 . 0 0 "[ . 1 . 2]" 1
38 1 12 TYR QE 1 23 ILE MG . . 6.500 2.909 2.120 3.856 . 0 0 "[ . 1 . 2]" 1
39 1 12 TYR QE 1 58 LEU MD1 . . 6.500 3.427 2.608 5.049 . 0 0 "[ . 1 . 2]" 1
40 1 12 TYR QE 1 58 LEU MD2 . . 6.500 3.460 2.462 5.045 . 0 0 "[ . 1 . 2]" 1
41 1 12 TYR QE 1 60 LEU MD1 . . 6.500 3.215 2.378 5.032 . 0 0 "[ . 1 . 2]" 1
42 1 12 TYR QE 1 60 LEU MD2 . . 6.500 2.808 2.287 3.230 . 0 0 "[ . 1 . 2]" 1
43 1 12 TYR QE 1 95 LEU QD . . 6.500 2.806 2.273 3.335 . 0 0 "[ . 1 . 2]" 1
44 1 13 ASP H 1 24 THR H . . 5.000 3.276 2.912 3.466 . 0 0 "[ . 1 . 2]" 1
45 1 13 ASP H 1 24 THR HB . . 6.000 3.366 2.553 4.052 . 0 0 "[ . 1 . 2]" 1
46 1 13 ASP H 1 25 LEU HA . . 6.000 3.631 3.233 4.020 . 0 0 "[ . 1 . 2]" 1
47 1 13 ASP HA 1 14 TRP H . . 4.000 2.590 2.516 2.718 . 0 0 "[ . 1 . 2]" 1
48 1 13 ASP HA 1 14 TRP HD1 . . 6.000 3.304 2.971 3.778 . 0 0 "[ . 1 . 2]" 1
49 1 14 TRP H 1 14 TRP HD1 . . 5.000 3.196 2.815 3.469 . 0 0 "[ . 1 . 2]" 1
50 1 14 TRP H 1 15 TYR H . . 6.000 4.364 4.252 4.432 . 0 0 "[ . 1 . 2]" 1
51 1 14 TRP HA 1 15 TYR H . . 4.000 2.343 2.161 2.472 . 0 0 "[ . 1 . 2]" 1
52 1 14 TRP HA 1 23 ILE HA . . 6.000 2.350 2.185 2.650 . 0 0 "[ . 1 . 2]" 1
53 1 14 TRP HA 1 23 ILE MD . . 6.500 4.987 3.462 5.430 . 0 0 "[ . 1 . 2]" 1
54 1 14 TRP HA 1 23 ILE MG . . 6.500 3.841 3.588 4.415 . 0 0 "[ . 1 . 2]" 1
55 1 14 TRP HA 1 24 THR H . . 5.000 2.611 2.249 3.313 . 0 0 "[ . 1 . 2]" 1
56 1 14 TRP HA 1 95 LEU QD . . 6.500 4.456 4.235 4.813 . 0 0 "[ . 1 . 2]" 1
57 1 14 TRP HD1 1 95 LEU QD . . 6.500 3.298 2.907 3.733 . 0 0 "[ . 1 . 2]" 1
58 1 14 TRP HE3 1 15 TYR H . . 5.000 3.125 2.781 4.092 . 0 0 "[ . 1 . 2]" 1
59 1 14 TRP HE3 1 15 TYR HA . . 6.000 3.285 2.716 4.790 . 0 0 "[ . 1 . 2]" 1
60 1 14 TRP HE3 1 21 VAL MG1 . . 6.500 3.488 2.346 4.218 . 0 0 "[ . 1 . 2]" 1
61 1 14 TRP HE3 1 95 LEU QD . . 6.500 2.923 2.606 3.290 . 0 0 "[ . 1 . 2]" 1
62 1 14 TRP HH2 1 94 LYS H . . 6.000 4.932 4.457 5.565 . 0 0 "[ . 1 . 2]" 1
63 1 14 TRP HH2 1 94 LYS HA . . 6.000 3.232 2.372 4.828 . 0 0 "[ . 1 . 2]" 1
64 1 14 TRP HH2 1 95 LEU QD . . 6.500 4.400 4.017 4.714 . 0 0 "[ . 1 . 2]" 1
65 1 14 TRP HZ2 1 94 LYS HA . . 4.500 3.816 3.177 4.329 . 0 0 "[ . 1 . 2]" 1
66 1 14 TRP HZ2 1 95 LEU H . . 5.000 3.726 2.675 5.014 0.014 3 0 "[ . 1 . 2]" 1
67 1 14 TRP HZ3 1 21 VAL MG2 . . 6.500 4.440 2.741 5.357 . 0 0 "[ . 1 . 2]" 1
68 1 15 TYR H 1 15 TYR QD . . 5.000 3.772 2.915 4.368 . 0 0 "[ . 1 . 2]" 1
69 1 15 TYR H 1 21 VAL MG1 . . 6.500 4.328 3.718 4.892 . 0 0 "[ . 1 . 2]" 1
70 1 15 TYR H 1 22 VAL H . . 5.000 3.258 3.061 3.569 . 0 0 "[ . 1 . 2]" 1
71 1 15 TYR H 1 23 ILE HA . . 5.000 3.481 3.168 3.762 . 0 0 "[ . 1 . 2]" 1
72 1 15 TYR HA 1 16 GLN H . . 5.000 2.498 2.270 2.709 . 0 0 "[ . 1 . 2]" 1
73 1 15 TYR QD 1 16 GLN H . . 5.000 3.130 2.651 4.242 . 0 0 "[ . 1 . 2]" 1
74 1 15 TYR QD 1 16 GLN HA . . 6.000 4.100 3.287 4.784 . 0 0 "[ . 1 . 2]" 1
75 1 15 TYR QD 1 17 THR MG . . 6.500 3.774 3.297 5.158 . 0 0 "[ . 1 . 2]" 1
76 1 15 TYR QD 1 22 VAL MG1 . . 6.500 3.846 3.235 4.189 . 0 0 "[ . 1 . 2]" 1
77 1 15 TYR QD 1 22 VAL MG2 . . 6.500 3.023 2.421 3.597 . 0 0 "[ . 1 . 2]" 1
78 1 15 TYR QE 1 17 THR MG . . 6.500 3.273 2.174 5.411 . 0 0 "[ . 1 . 2]" 1
79 1 15 TYR QE 1 22 VAL HB . . 6.000 4.070 2.606 5.077 . 0 0 "[ . 1 . 2]" 1
80 1 15 TYR QE 1 22 VAL MG1 . . 6.500 4.152 2.459 5.348 . 0 0 "[ . 1 . 2]" 1
81 1 15 TYR QE 1 22 VAL MG2 . . 6.500 3.341 2.624 3.932 . 0 0 "[ . 1 . 2]" 1
82 1 16 GLN HA 1 17 THR H . . 4.000 2.214 2.055 2.444 . 0 0 "[ . 1 . 2]" 1
83 1 16 GLN HA 1 17 THR MG . . 6.500 3.879 3.295 5.408 . 0 0 "[ . 1 . 2]" 1
84 1 16 GLN HA 1 21 VAL HA . . 4.500 2.395 2.171 3.006 . 0 0 "[ . 1 . 2]" 1
85 1 16 GLN HA 1 21 VAL MG1 . . 6.500 3.826 2.339 4.477 . 0 0 "[ . 1 . 2]" 1
86 1 16 GLN HA 1 21 VAL MG2 . . 6.500 3.546 2.553 4.027 . 0 0 "[ . 1 . 2]" 1
87 1 16 GLN HA 1 22 VAL H . . 5.000 2.909 2.531 3.442 . 0 0 "[ . 1 . 2]" 1
88 1 16 GLN HA 1 22 VAL MG2 . . 6.500 3.243 2.580 4.452 . 0 0 "[ . 1 . 2]" 1
89 1 17 THR H 1 20 GLN H . . 5.000 3.519 2.828 4.584 . 0 0 "[ . 1 . 2]" 1
90 1 17 THR H 1 21 VAL HA . . 5.000 3.273 2.767 3.836 . 0 0 "[ . 1 . 2]" 1
91 1 17 THR HA 1 17 THR HB . . 3.000 2.526 2.342 3.014 0.014 9 0 "[ . 1 . 2]" 1
92 1 17 THR HA 1 18 GLU H . . 5.000 2.572 2.397 2.658 . 0 0 "[ . 1 . 2]" 1
93 1 17 THR HB 1 18 GLU H . . 4.000 2.561 2.242 3.474 . 0 0 "[ . 1 . 2]" 1
94 1 17 THR HB 1 19 SER H . . 5.000 3.239 2.719 4.350 . 0 0 "[ . 1 . 2]" 1
95 1 17 THR MG 1 18 GLU H . . 6.500 3.639 2.018 4.105 . 0 0 "[ . 1 . 2]" 1
96 1 17 THR MG 1 20 GLN H . . 6.500 3.637 3.174 3.897 . 0 0 "[ . 1 . 2]" 1
97 1 17 THR MG 1 20 GLN HA . . 6.500 5.373 4.843 5.470 . 0 0 "[ . 1 . 2]" 1
98 1 17 THR MG 1 22 VAL MG2 . . 7.000 3.366 2.705 4.401 . 0 0 "[ . 1 . 2]" 1
99 1 18 GLU H 1 19 SER H . . 5.000 2.972 2.566 3.686 . 0 0 "[ . 1 . 2]" 1
100 1 18 GLU HA 1 19 SER H . . 5.000 3.284 2.424 3.597 . 0 0 "[ . 1 . 2]" 1
101 1 18 GLU HA 1 89 ALA HA . . 6.000 4.861 3.313 5.282 . 0 0 "[ . 1 . 2]" 1
102 1 18 GLU HA 1 89 ALA MB . . 6.500 4.389 3.850 4.813 . 0 0 "[ . 1 . 2]" 1
103 1 19 SER H 1 20 GLN H . . 4.000 2.327 2.068 2.839 . 0 0 "[ . 1 . 2]" 1
104 1 19 SER HA 1 89 ALA MB . . 6.500 3.095 2.406 4.430 . 0 0 "[ . 1 . 2]" 1
105 1 20 GLN HA 1 21 VAL H . . 4.000 2.191 2.141 2.230 . 0 0 "[ . 1 . 2]" 1
106 1 20 GLN HA 1 21 VAL MG2 . . 6.500 4.109 3.679 4.487 . 0 0 "[ . 1 . 2]" 1
107 1 20 GLN HA 1 85 LYS HA . . 6.000 2.245 2.152 2.422 . 0 0 "[ . 1 . 2]" 1
108 1 20 GLN HA 1 86 LYS H . . 5.000 3.105 2.662 3.436 . 0 0 "[ . 1 . 2]" 1
109 1 21 VAL H 1 84 LEU H . . 5.000 3.082 2.913 3.259 . 0 0 "[ . 1 . 2]" 1
110 1 21 VAL H 1 86 LYS H . . 6.000 3.980 3.643 4.297 . 0 0 "[ . 1 . 2]" 1
111 1 21 VAL HA 1 22 VAL H . . 4.000 2.247 2.197 2.297 . 0 0 "[ . 1 . 2]" 1
112 1 21 VAL HA 1 22 VAL MG2 . . 6.500 3.223 3.082 3.398 . 0 0 "[ . 1 . 2]" 1
113 1 21 VAL HB 1 84 LEU MD1 . . 6.500 2.889 2.406 3.467 . 0 0 "[ . 1 . 2]" 1
114 1 21 VAL MG1 1 22 VAL H . . 5.500 2.732 2.401 2.891 . 0 0 "[ . 1 . 2]" 1
115 1 21 VAL MG1 1 23 ILE HB . . 6.500 4.692 3.936 5.301 . 0 0 "[ . 1 . 2]" 1
116 1 21 VAL MG1 1 84 LEU H . . 6.500 3.990 3.451 4.831 . 0 0 "[ . 1 . 2]" 1
117 1 21 VAL MG1 1 84 LEU MD1 . . 7.000 2.835 2.344 3.679 . 0 0 "[ . 1 . 2]" 1
118 1 21 VAL MG1 1 95 LEU QD . . 7.000 2.022 1.928 2.177 . 0 0 "[ . 1 . 2]" 1
119 1 21 VAL MG2 1 22 VAL H . . 6.500 3.936 3.678 4.307 . 0 0 "[ . 1 . 2]" 1
120 1 21 VAL MG2 1 23 ILE MD . . 7.000 4.459 3.907 4.869 . 0 0 "[ . 1 . 2]" 1
121 1 21 VAL MG2 1 84 LEU MD1 . . 7.000 3.481 2.833 3.946 . 0 0 "[ . 1 . 2]" 1
122 1 21 VAL MG2 1 95 LEU QD . . 7.000 3.153 2.456 3.727 . 0 0 "[ . 1 . 2]" 1
123 1 22 VAL HA 1 23 ILE H . . 4.000 2.177 2.102 2.249 . 0 0 "[ . 1 . 2]" 1
124 1 22 VAL HA 1 23 ILE HB . . 6.000 4.488 4.187 4.842 . 0 0 "[ . 1 . 2]" 1
125 1 22 VAL HA 1 83 LYS HA . . 6.000 2.326 2.196 2.488 . 0 0 "[ . 1 . 2]" 1
126 1 22 VAL HA 1 84 LEU H . . 5.000 3.611 3.436 3.820 . 0 0 "[ . 1 . 2]" 1
127 1 22 VAL MG1 1 24 THR MG . . 7.000 4.349 3.100 4.864 . 0 0 "[ . 1 . 2]" 1
128 1 22 VAL MG1 1 81 GLU HA . . 6.500 3.601 2.883 4.669 . 0 0 "[ . 1 . 2]" 1
129 1 22 VAL MG1 1 83 LYS HA . . 6.500 3.030 2.608 3.401 . 0 0 "[ . 1 . 2]" 1
130 1 22 VAL MG2 1 23 ILE H . . 6.500 4.336 4.214 4.416 . 0 0 "[ . 1 . 2]" 1
131 1 22 VAL MG2 1 83 LYS HA . . 6.500 3.293 2.824 3.684 . 0 0 "[ . 1 . 2]" 1
132 1 23 ILE H 1 24 THR H . . 6.000 4.381 4.209 4.622 . 0 0 "[ . 1 . 2]" 1
133 1 23 ILE H 1 82 ILE H . . 5.000 3.203 2.909 3.726 . 0 0 "[ . 1 . 2]" 1
134 1 23 ILE H 1 82 ILE HB . . 5.000 3.228 2.891 3.559 . 0 0 "[ . 1 . 2]" 1
135 1 23 ILE HA 1 24 THR H . . 4.000 2.204 2.136 2.378 . 0 0 "[ . 1 . 2]" 1
136 1 23 ILE HA 1 24 THR HB . . 6.000 4.788 4.346 5.698 . 0 0 "[ . 1 . 2]" 1
137 1 23 ILE HA 1 24 THR MG . . 6.500 5.122 4.120 5.432 . 0 0 "[ . 1 . 2]" 1
138 1 23 ILE HB 1 24 THR H . . 6.000 4.261 3.862 4.478 . 0 0 "[ . 1 . 2]" 1
139 1 23 ILE HB 1 82 ILE HB . . 4.500 2.212 2.087 2.423 . 0 0 "[ . 1 . 2]" 1
140 1 23 ILE HB 1 82 ILE MG . . 6.500 3.358 3.100 3.648 . 0 0 "[ . 1 . 2]" 1
141 1 23 ILE HB 1 95 LEU QD . . 6.500 4.406 4.192 4.906 . 0 0 "[ . 1 . 2]" 1
142 1 23 ILE MD 1 24 THR H . . 6.500 5.033 4.170 5.413 . 0 0 "[ . 1 . 2]" 1
143 1 23 ILE MD 1 82 ILE HB . . 6.500 3.617 2.965 4.691 . 0 0 "[ . 1 . 2]" 1
144 1 23 ILE MD 1 95 LEU QD . . 7.000 2.026 1.866 2.415 . 0 0 "[ . 1 . 2]" 1
145 1 23 ILE MG 1 24 THR H . . 5.500 2.762 2.168 3.132 . 0 0 "[ . 1 . 2]" 1
146 1 23 ILE MG 1 24 THR HA . . 6.500 4.013 3.634 4.305 . 0 0 "[ . 1 . 2]" 1
147 1 23 ILE MG 1 24 THR HB . . 6.500 4.869 4.445 5.417 . 0 0 "[ . 1 . 2]" 1
148 1 23 ILE MG 1 25 LEU HA . . 6.500 4.141 3.199 4.621 . 0 0 "[ . 1 . 2]" 1
149 1 23 ILE MG 1 58 LEU MD2 . . 7.000 2.952 2.093 3.821 . 0 0 "[ . 1 . 2]" 1
150 1 23 ILE MG 1 60 LEU HG . . 6.500 4.326 2.973 5.431 . 0 0 "[ . 1 . 2]" 1
151 1 23 ILE MG 1 82 ILE H . . 6.500 4.089 3.465 4.469 . 0 0 "[ . 1 . 2]" 1
152 1 23 ILE MG 1 82 ILE HB . . 6.500 3.325 2.533 3.815 . 0 0 "[ . 1 . 2]" 1
153 1 23 ILE MG 1 82 ILE MG . . 7.000 4.040 3.410 4.525 . 0 0 "[ . 1 . 2]" 1
154 1 24 THR HA 1 25 LEU H . . 4.000 2.204 2.115 2.273 . 0 0 "[ . 1 . 2]" 1
155 1 24 THR HA 1 80 ILE H . . 6.000 4.322 3.884 4.688 . 0 0 "[ . 1 . 2]" 1
156 1 24 THR HB 1 25 LEU H . . 6.000 4.297 3.672 4.516 . 0 0 "[ . 1 . 2]" 1
157 1 24 THR MG 1 25 LEU H . . 6.500 3.490 2.928 3.949 . 0 0 "[ . 1 . 2]" 1
158 1 24 THR MG 1 25 LEU HA . . 6.500 4.663 4.224 5.475 . 0 0 "[ . 1 . 2]" 1
159 1 24 THR MG 1 26 MET HA . . 6.500 4.107 3.386 5.392 . 0 0 "[ . 1 . 2]" 1
160 1 24 THR MG 1 76 LEU MD2 . . 7.000 4.431 3.509 4.861 . 0 0 "[ . 1 . 2]" 1
161 1 24 THR MG 1 79 LYS HA . . 6.500 4.554 4.017 5.415 . 0 0 "[ . 1 . 2]" 1
162 1 24 THR MG 1 80 ILE H . . 6.500 4.088 3.552 5.208 . 0 0 "[ . 1 . 2]" 1
163 1 24 THR MG 1 81 GLU HA . . 6.500 3.355 2.584 3.984 . 0 0 "[ . 1 . 2]" 1
164 1 25 LEU H 1 79 LYS HA . . 6.000 4.989 4.688 5.443 . 0 0 "[ . 1 . 2]" 1
165 1 25 LEU H 1 80 ILE H . . 5.000 3.100 2.851 3.452 . 0 0 "[ . 1 . 2]" 1
166 1 25 LEU H 1 80 ILE MG . . 6.500 4.116 3.810 4.322 . 0 0 "[ . 1 . 2]" 1
167 1 25 LEU HA 1 26 MET H . . 4.000 2.231 2.158 2.361 . 0 0 "[ . 1 . 2]" 1
168 1 25 LEU HA 1 27 ILE MG . . 6.500 4.817 4.311 5.299 . 0 0 "[ . 1 . 2]" 1
169 1 25 LEU MD2 1 57 ASN QD . . 6.500 4.857 4.831 4.886 . 0 0 "[ . 1 . 2]" 1
170 1 25 LEU HG 1 27 ILE MD . . 6.500 5.348 4.986 5.482 . 0 0 "[ . 1 . 2]" 1
171 1 26 MET H 1 27 ILE H . . 6.000 4.312 3.653 4.638 . 0 0 "[ . 1 . 2]" 1
172 1 26 MET H 1 27 ILE MG . . 6.500 4.498 4.196 4.907 . 0 0 "[ . 1 . 2]" 1
173 1 26 MET HA 1 27 ILE H . . 4.000 2.298 2.151 2.511 . 0 0 "[ . 1 . 2]" 1
174 1 26 MET HA 1 27 ILE MG . . 6.500 3.775 3.355 4.357 . 0 0 "[ . 1 . 2]" 1
175 1 26 MET HA 1 79 LYS HA . . 4.500 2.717 2.324 3.344 . 0 0 "[ . 1 . 2]" 1
176 1 27 ILE H 1 28 LYS H . . 6.000 3.795 2.859 4.381 . 0 0 "[ . 1 . 2]" 1
177 1 27 ILE H 1 79 LYS HA . . 4.000 2.299 2.050 2.558 . 0 0 "[ . 1 . 2]" 1
178 1 27 ILE H 1 80 ILE H . . 6.000 3.882 3.077 4.400 . 0 0 "[ . 1 . 2]" 1
179 1 27 ILE HA 1 28 LYS H . . 4.000 2.201 2.086 2.395 . 0 0 "[ . 1 . 2]" 1
180 1 27 ILE HB 1 30 VAL HB . . 6.000 4.764 4.051 5.252 . 0 0 "[ . 1 . 2]" 1
181 1 27 ILE HB 1 30 VAL MG2 . . 6.500 5.093 4.392 5.446 . 0 0 "[ . 1 . 2]" 1
182 1 27 ILE HB 1 48 VAL MG1 . . 6.500 4.094 2.407 5.176 . 0 0 "[ . 1 . 2]" 1
183 1 27 ILE HB 1 80 ILE MD . . 6.500 4.070 3.543 4.391 . 0 0 "[ . 1 . 2]" 1
184 1 27 ILE MD 1 30 VAL HB . . 6.500 2.957 2.274 3.739 . 0 0 "[ . 1 . 2]" 1
185 1 27 ILE MD 1 48 VAL MG1 . . 7.000 2.290 1.934 3.215 . 0 0 "[ . 1 . 2]" 1
186 1 27 ILE MD 1 56 TYR QD . . 6.500 3.343 2.340 4.386 . 0 0 "[ . 1 . 2]" 1
187 1 27 ILE MD 1 56 TYR QE . . 6.500 4.463 3.681 5.235 . 0 0 "[ . 1 . 2]" 1
188 1 27 ILE MG 1 28 LYS H . . 6.500 4.245 3.961 4.407 . 0 0 "[ . 1 . 2]" 1
189 1 27 ILE MG 1 30 VAL HA . . 6.500 4.904 4.240 5.440 . 0 0 "[ . 1 . 2]" 1
190 1 27 ILE MG 1 30 VAL HB . . 6.500 2.763 2.160 3.425 . 0 0 "[ . 1 . 2]" 1
191 1 27 ILE MG 1 75 VAL HA . . 6.500 5.274 4.841 5.445 . 0 0 "[ . 1 . 2]" 1
192 1 27 ILE MG 1 79 LYS HA . . 6.500 2.796 2.138 3.527 . 0 0 "[ . 1 . 2]" 1
193 1 27 ILE MG 1 80 ILE H . . 6.500 2.988 2.531 3.672 . 0 0 "[ . 1 . 2]" 1
194 1 28 LYS HA 1 78 THR MG . . 6.500 3.855 3.126 5.108 . 0 0 "[ . 1 . 2]" 1
195 1 29 ASN HA 1 30 VAL H . . 5.000 2.617 2.179 3.603 . 0 0 "[ . 1 . 2]" 1
196 1 30 VAL H 1 30 VAL HB . . 4.000 3.021 2.066 3.457 . 0 0 "[ . 1 . 2]" 1
197 1 30 VAL H 1 31 GLN H . . 5.000 4.440 4.137 4.659 . 0 0 "[ . 1 . 2]" 1
198 1 30 VAL HA 1 31 GLN H . . 4.000 2.313 2.240 2.438 . 0 0 "[ . 1 . 2]" 1
199 1 30 VAL HA 1 50 LEU MD2 . . 6.500 4.511 3.295 5.434 . 0 0 "[ . 1 . 2]" 1
200 1 30 VAL MG2 1 31 GLN H . . 6.500 2.372 2.079 3.215 . 0 0 "[ . 1 . 2]" 1
201 1 30 VAL MG2 1 31 GLN HA . . 6.500 4.064 3.624 5.375 . 0 0 "[ . 1 . 2]" 1
202 1 30 VAL MG2 1 50 LEU HA . . 6.500 3.892 2.578 5.223 . 0 0 "[ . 1 . 2]" 1
203 1 31 GLN H 1 34 ASP H . . 6.000 3.802 3.477 4.632 . 0 0 "[ . 1 . 2]" 1
204 1 31 GLN HA 1 32 LYS H . . 4.000 2.281 2.169 2.359 . 0 0 "[ . 1 . 2]" 1
205 1 31 GLN HA 1 75 VAL MG1 . . 6.500 3.566 2.447 4.378 . 0 0 "[ . 1 . 2]" 1
206 1 32 LYS H 1 33 ASN H . . 5.000 3.161 3.051 3.314 . 0 0 "[ . 1 . 2]" 1
207 1 32 LYS HA 1 33 ASN H . . 5.000 3.575 3.552 3.603 . 0 0 "[ . 1 . 2]" 1
208 1 32 LYS HA 1 34 ASP H . . 6.000 4.037 3.929 4.179 . 0 0 "[ . 1 . 2]" 1
209 1 32 LYS HA 1 35 VAL HB . . 6.000 3.627 3.101 4.583 . 0 0 "[ . 1 . 2]" 1
210 1 32 LYS HA 1 35 VAL MG1 . . 6.500 4.745 4.266 5.333 . 0 0 "[ . 1 . 2]" 1
211 1 32 LYS HA 1 35 VAL MG2 . . 6.500 3.047 2.697 3.552 . 0 0 "[ . 1 . 2]" 1
212 1 32 LYS HA 1 75 VAL HB . . 6.000 3.373 2.440 4.280 . 0 0 "[ . 1 . 2]" 1
213 1 32 LYS HA 1 75 VAL MG1 . . 6.500 2.923 2.177 3.971 . 0 0 "[ . 1 . 2]" 1
214 1 32 LYS HA 1 75 VAL MG2 . . 6.500 2.248 2.092 2.701 . 0 0 "[ . 1 . 2]" 1
215 1 33 ASN H 1 34 ASP H . . 5.000 2.841 2.774 2.906 . 0 0 "[ . 1 . 2]" 1
216 1 34 ASP H 1 35 VAL H . . 5.000 2.555 2.396 3.386 . 0 0 "[ . 1 . 2]" 1
217 1 34 ASP H 1 35 VAL MG2 . . 6.500 3.413 3.232 3.662 . 0 0 "[ . 1 . 2]" 1
218 1 35 VAL HA 1 37 VAL MG2 . . 6.500 4.305 4.075 4.831 . 0 0 "[ . 1 . 2]" 1
219 1 35 VAL HA 1 80 ILE MD . . 6.500 3.929 3.487 4.301 . 0 0 "[ . 1 . 2]" 1
220 1 35 VAL HB 1 36 ASN H . . 6.000 4.422 4.175 4.522 . 0 0 "[ . 1 . 2]" 1
221 1 35 VAL HB 1 37 VAL MG2 . . 6.500 4.080 3.373 4.670 . 0 0 "[ . 1 . 2]" 1
222 1 35 VAL HB 1 73 PHE QE . . 6.000 2.438 2.251 2.782 . 0 0 "[ . 1 . 2]" 1
223 1 35 VAL HB 1 75 VAL MG2 . . 6.500 2.896 2.287 3.767 . 0 0 "[ . 1 . 2]" 1
224 1 35 VAL MG1 1 36 ASN H . . 6.500 3.211 2.662 3.468 . 0 0 "[ . 1 . 2]" 1
225 1 35 VAL MG1 1 36 ASN HA . . 6.500 3.932 3.369 4.319 . 0 0 "[ . 1 . 2]" 1
226 1 35 VAL MG1 1 73 PHE QD . . 6.500 2.833 2.280 3.287 . 0 0 "[ . 1 . 2]" 1
227 1 35 VAL MG1 1 73 PHE QE . . 6.500 2.694 2.468 3.057 . 0 0 "[ . 1 . 2]" 1
228 1 35 VAL MG1 1 75 VAL HA . . 6.500 4.927 4.520 5.434 . 0 0 "[ . 1 . 2]" 1
229 1 35 VAL MG1 1 75 VAL MG2 . . 7.000 2.765 2.393 3.544 . 0 0 "[ . 1 . 2]" 1
230 1 35 VAL MG1 1 80 ILE MD . . 7.000 2.146 1.990 2.385 . 0 0 "[ . 1 . 2]" 1
231 1 35 VAL MG2 1 36 ASN H . . 6.500 4.252 4.089 4.475 . 0 0 "[ . 1 . 2]" 1
232 1 35 VAL MG2 1 37 VAL MG2 . . 7.000 4.323 4.075 4.701 . 0 0 "[ . 1 . 2]" 1
233 1 36 ASN HA 1 37 VAL H . . 4.000 2.260 2.176 2.316 . 0 0 "[ . 1 . 2]" 1
234 1 36 ASN HA 1 37 VAL MG2 . . 6.500 3.846 3.319 4.018 . 0 0 "[ . 1 . 2]" 1
235 1 36 ASN HA 1 73 PHE HZ . . 6.000 3.807 2.477 4.785 . 0 0 "[ . 1 . 2]" 1
236 1 37 VAL H 1 46 ALA HA . . 6.000 4.712 4.491 4.973 . 0 0 "[ . 1 . 2]" 1
237 1 37 VAL HA 1 38 GLU H . . 4.000 2.186 2.118 2.268 . 0 0 "[ . 1 . 2]" 1
238 1 37 VAL HA 1 46 ALA HA . . 4.500 2.170 2.094 2.273 . 0 0 "[ . 1 . 2]" 1
239 1 37 VAL HA 1 46 ALA MB . . 6.500 3.503 3.290 3.809 . 0 0 "[ . 1 . 2]" 1
240 1 37 VAL HA 1 47 LEU H . . 5.000 3.078 2.663 3.393 . 0 0 "[ . 1 . 2]" 1
241 1 37 VAL HB 1 38 GLU H . . 6.000 4.290 3.904 4.496 . 0 0 "[ . 1 . 2]" 1
242 1 37 VAL HB 1 39 PHE QD . . 6.000 3.933 3.336 4.618 . 0 0 "[ . 1 . 2]" 1
243 1 37 VAL HB 1 73 PHE QD . . 6.000 2.936 2.435 3.494 . 0 0 "[ . 1 . 2]" 1
244 1 37 VAL HB 1 73 PHE QE . . 6.000 3.026 2.701 3.400 . 0 0 "[ . 1 . 2]" 1
245 1 37 VAL MG1 1 38 GLU H . . 5.500 2.985 2.437 3.315 . 0 0 "[ . 1 . 2]" 1
246 1 37 VAL MG1 1 38 GLU HA . . 6.500 4.223 3.654 4.467 . 0 0 "[ . 1 . 2]" 1
247 1 37 VAL MG1 1 39 PHE HZ . . 6.500 2.842 2.530 3.296 . 0 0 "[ . 1 . 2]" 1
248 1 37 VAL MG1 1 44 LEU MD1 . . 7.000 1.982 1.883 2.228 . 0 0 "[ . 1 . 2]" 1
249 1 37 VAL MG1 1 44 LEU MD2 . . 7.000 3.692 3.504 4.044 . 0 0 "[ . 1 . 2]" 1
250 1 37 VAL MG1 1 44 LEU HG . . 6.500 3.968 3.447 4.322 . 0 0 "[ . 1 . 2]" 1
251 1 37 VAL MG1 1 45 SER H . . 6.500 3.817 3.368 4.613 . 0 0 "[ . 1 . 2]" 1
252 1 37 VAL MG1 1 46 ALA HA . . 6.500 2.747 2.353 3.283 . 0 0 "[ . 1 . 2]" 1
253 1 37 VAL MG1 1 73 PHE QE . . 6.500 4.430 4.132 4.710 . 0 0 "[ . 1 . 2]" 1
254 1 37 VAL MG1 1 82 ILE MD . . 7.000 2.471 2.141 3.705 . 0 0 "[ . 1 . 2]" 1
255 1 37 VAL MG1 1 82 ILE MG . . 7.000 2.379 2.097 3.013 . 0 0 "[ . 1 . 2]" 1
256 1 37 VAL MG1 1 84 LEU MD2 . . 7.000 4.730 4.350 4.869 . 0 0 "[ . 1 . 2]" 1
257 1 37 VAL MG2 1 39 PHE QE . . 6.500 3.966 3.773 4.210 . 0 0 "[ . 1 . 2]" 1
258 1 37 VAL MG2 1 46 ALA HA . . 6.500 2.820 2.428 3.316 . 0 0 "[ . 1 . 2]" 1
259 1 37 VAL MG2 1 46 ALA MB . . 7.000 2.661 2.179 3.099 . 0 0 "[ . 1 . 2]" 1
260 1 37 VAL MG2 1 47 LEU H . . 6.500 3.926 3.407 4.339 . 0 0 "[ . 1 . 2]" 1
261 1 37 VAL MG2 1 73 PHE QD . . 6.500 2.900 2.745 3.208 . 0 0 "[ . 1 . 2]" 1
262 1 37 VAL MG2 1 73 PHE QE . . 6.500 3.091 2.926 3.534 . 0 0 "[ . 1 . 2]" 1
263 1 37 VAL MG2 1 75 VAL MG2 . . 7.000 4.606 4.121 4.895 . 0 0 "[ . 1 . 2]" 1
264 1 37 VAL MG2 1 80 ILE MG . . 7.000 3.242 2.519 3.646 . 0 0 "[ . 1 . 2]" 1
265 1 37 VAL MG2 1 82 ILE MG . . 7.000 3.131 2.691 3.786 . 0 0 "[ . 1 . 2]" 1
266 1 38 GLU H 1 45 SER H . . 5.000 3.661 3.368 3.942 . 0 0 "[ . 1 . 2]" 1
267 1 38 GLU H 1 46 ALA HA . . 5.000 3.384 3.008 3.610 . 0 0 "[ . 1 . 2]" 1
268 1 38 GLU HA 1 39 PHE H . . 4.000 2.167 2.089 2.233 . 0 0 "[ . 1 . 2]" 1
269 1 38 GLU HA 1 39 PHE QD . . 6.000 4.204 3.031 5.088 . 0 0 "[ . 1 . 2]" 1
270 1 39 PHE H 1 39 PHE QD . . 5.000 2.932 2.477 3.634 . 0 0 "[ . 1 . 2]" 1
271 1 39 PHE HA 1 40 SER H . . 4.000 2.239 2.158 2.374 . 0 0 "[ . 1 . 2]" 1
272 1 39 PHE HA 1 40 SER HA . . 6.000 4.469 4.369 4.570 . 0 0 "[ . 1 . 2]" 1
273 1 39 PHE HA 1 44 LEU MD1 . . 6.500 4.381 4.010 4.935 . 0 0 "[ . 1 . 2]" 1
274 1 39 PHE QD 1 40 SER H . . 6.000 4.654 4.137 5.075 . 0 0 "[ . 1 . 2]" 1
275 1 39 PHE QD 1 44 LEU MD1 . . 6.500 2.927 2.323 3.787 . 0 0 "[ . 1 . 2]" 1
276 1 39 PHE QD 1 68 PRO HA . . 6.000 4.460 3.989 4.691 . 0 0 "[ . 1 . 2]" 1
277 1 39 PHE QE 1 44 LEU MD2 . . 6.500 3.346 2.540 4.135 . 0 0 "[ . 1 . 2]" 1
278 1 39 PHE QE 1 72 THR HA . . 4.500 3.336 2.570 4.018 . 0 0 "[ . 1 . 2]" 1
279 1 39 PHE QE 1 82 ILE MG . . 6.500 2.489 2.172 2.797 . 0 0 "[ . 1 . 2]" 1
280 1 39 PHE QE 1 84 LEU MD2 . . 5.000 2.798 2.383 3.385 . 0 0 "[ . 1 . 2]" 1
281 1 39 PHE HZ 1 44 LEU MD1 . . 6.500 3.614 2.778 4.038 . 0 0 "[ . 1 . 2]" 1
282 1 39 PHE HZ 1 72 THR H . . 6.000 3.433 2.841 4.509 . 0 0 "[ . 1 . 2]" 1
283 1 39 PHE HZ 1 82 ILE MG . . 6.500 2.220 2.059 2.661 . 0 0 "[ . 1 . 2]" 1
284 1 39 PHE HZ 1 84 LEU MD2 . . 6.500 3.891 2.433 4.966 . 0 0 "[ . 1 . 2]" 1
285 1 40 SER H 1 43 GLU H . . 5.000 4.168 3.419 5.048 0.048 9 0 "[ . 1 . 2]" 1
286 1 41 GLU HA 1 42 LYS H . . 5.000 3.254 2.535 3.560 . 0 0 "[ . 1 . 2]" 1
287 1 41 GLU HA 1 65 PRO HA . . 6.000 3.741 2.977 4.977 . 0 0 "[ . 1 . 2]" 1
288 1 41 GLU HA 1 66 ILE H . . 5.000 2.907 2.184 4.985 . 0 0 "[ . 1 . 2]" 1
289 1 41 GLU HA 1 66 ILE MD . . 6.500 4.369 3.314 5.287 . 0 0 "[ . 1 . 2]" 1
290 1 42 LYS H 1 43 GLU H . . 4.000 3.729 3.369 3.950 . 0 0 "[ . 1 . 2]" 1
291 1 42 LYS HA 1 43 GLU H . . 5.000 3.443 3.087 3.624 . 0 0 "[ . 1 . 2]" 1
292 1 42 LYS HA 1 62 LEU MD1 . . 6.500 5.401 5.114 5.443 . 0 0 "[ . 1 . 2]" 1
293 1 42 LYS HA 1 65 PRO HA . . 6.000 5.130 3.605 6.005 0.005 3 0 "[ . 1 . 2]" 1
294 1 43 GLU H 1 44 LEU H . . 6.000 4.340 4.247 4.524 . 0 0 "[ . 1 . 2]" 1
295 1 43 GLU H 1 62 LEU MD1 . . 6.500 4.274 3.765 5.017 . 0 0 "[ . 1 . 2]" 1
296 1 43 GLU HA 1 44 LEU H . . 4.000 2.557 2.441 2.656 . 0 0 "[ . 1 . 2]" 1
297 1 43 GLU HA 1 61 GLU HA . . 4.500 3.260 2.755 4.294 . 0 0 "[ . 1 . 2]" 1
298 1 43 GLU HA 1 62 LEU H . . 5.000 2.598 2.215 3.002 . 0 0 "[ . 1 . 2]" 1
299 1 43 GLU HA 1 62 LEU MD1 . . 6.500 2.829 2.349 3.378 . 0 0 "[ . 1 . 2]" 1
300 1 43 GLU HA 1 62 LEU MD2 . . 6.500 4.359 3.849 4.769 . 0 0 "[ . 1 . 2]" 1
301 1 44 LEU H 1 60 LEU H . . 5.000 3.188 2.787 3.548 . 0 0 "[ . 1 . 2]" 1
302 1 44 LEU H 1 61 GLU HA . . 6.000 3.818 3.374 4.124 . 0 0 "[ . 1 . 2]" 1
303 1 44 LEU H 1 62 LEU H . . 6.000 3.062 2.875 3.560 . 0 0 "[ . 1 . 2]" 1
304 1 44 LEU H 1 62 LEU MD1 . . 6.500 3.342 2.938 3.732 . 0 0 "[ . 1 . 2]" 1
305 1 44 LEU HA 1 45 SER H . . 4.000 2.208 2.163 2.268 . 0 0 "[ . 1 . 2]" 1
306 1 44 LEU MD1 1 45 SER H . . 6.500 2.652 2.110 3.006 . 0 0 "[ . 1 . 2]" 1
307 1 44 LEU MD1 1 45 SER HA . . 6.500 4.055 3.849 4.473 . 0 0 "[ . 1 . 2]" 1
308 1 44 LEU MD1 1 82 ILE MG . . 7.000 2.275 2.054 2.643 . 0 0 "[ . 1 . 2]" 1
309 1 44 LEU MD2 1 58 LEU MD2 . . 7.000 3.457 2.270 4.788 . 0 0 "[ . 1 . 2]" 1
310 1 44 LEU MD2 1 82 ILE HB . . 6.500 3.360 2.951 4.220 . 0 0 "[ . 1 . 2]" 1
311 1 44 LEU MD2 1 82 ILE MG . . 7.000 2.482 2.203 3.520 . 0 0 "[ . 1 . 2]" 1
312 1 44 LEU HG 1 45 SER HA . . 6.000 4.136 3.429 4.502 . 0 0 "[ . 1 . 2]" 1
313 1 44 LEU HG 1 82 ILE MD . . 6.500 3.864 3.376 4.325 . 0 0 "[ . 1 . 2]" 1
314 1 45 SER HA 1 46 ALA H . . 4.000 2.208 2.132 2.276 . 0 0 "[ . 1 . 2]" 1
315 1 45 SER HA 1 46 ALA HA . . 6.000 4.518 4.469 4.548 . 0 0 "[ . 1 . 2]" 1
316 1 45 SER HA 1 46 ALA MB . . 6.500 4.115 3.999 4.199 . 0 0 "[ . 1 . 2]" 1
317 1 45 SER HA 1 59 LYS HA . . 4.500 2.368 2.190 2.610 . 0 0 "[ . 1 . 2]" 1
318 1 45 SER HA 1 60 LEU H . . 5.000 3.655 3.176 3.895 . 0 0 "[ . 1 . 2]" 1
319 1 46 ALA H 1 58 LEU H . . 5.000 3.151 2.891 3.480 . 0 0 "[ . 1 . 2]" 1
320 1 46 ALA H 1 58 LEU HG . . 6.000 4.704 4.118 5.611 . 0 0 "[ . 1 . 2]" 1
321 1 46 ALA HA 1 47 LEU H . . 4.000 2.222 2.172 2.283 . 0 0 "[ . 1 . 2]" 1
322 1 46 ALA HA 1 82 ILE MD . . 6.500 4.062 3.663 4.961 . 0 0 "[ . 1 . 2]" 1
323 1 46 ALA MB 1 47 LEU H . . 6.500 3.483 3.301 3.536 . 0 0 "[ . 1 . 2]" 1
324 1 46 ALA MB 1 48 VAL HA . . 6.500 5.279 4.720 5.441 . 0 0 "[ . 1 . 2]" 1
325 1 46 ALA MB 1 58 LEU H . . 6.500 2.957 2.755 3.165 . 0 0 "[ . 1 . 2]" 1
326 1 46 ALA MB 1 58 LEU HA . . 6.500 4.757 4.545 5.052 . 0 0 "[ . 1 . 2]" 1
327 1 46 ALA MB 1 58 LEU MD2 . . 7.000 3.382 2.468 4.642 . 0 0 "[ . 1 . 2]" 1
328 1 46 ALA MB 1 82 ILE MD . . 7.000 2.311 2.037 2.933 . 0 0 "[ . 1 . 2]" 1
329 1 47 LEU HA 1 48 VAL H . . 4.000 2.206 2.159 2.279 . 0 0 "[ . 1 . 2]" 1
330 1 47 LEU HA 1 48 VAL HA . . 6.000 4.492 4.402 4.519 . 0 0 "[ . 1 . 2]" 1
331 1 47 LEU HA 1 48 VAL HB . . 6.000 4.694 4.437 4.854 . 0 0 "[ . 1 . 2]" 1
332 1 47 LEU HA 1 48 VAL MG2 . . 6.500 3.576 3.065 3.934 . 0 0 "[ . 1 . 2]" 1
333 1 47 LEU HA 1 56 TYR H . . 6.000 4.918 4.584 5.307 . 0 0 "[ . 1 . 2]" 1
334 1 47 LEU HA 1 57 ASN HA . . 4.500 2.805 2.382 3.314 . 0 0 "[ . 1 . 2]" 1
335 1 48 VAL H 1 57 ASN HA . . 5.000 3.037 2.837 3.253 . 0 0 "[ . 1 . 2]" 1
336 1 48 VAL HB 1 49 LYS H . . 6.000 4.447 4.331 4.533 . 0 0 "[ . 1 . 2]" 1
337 1 48 VAL HB 1 56 TYR H . . 5.000 3.223 2.959 3.700 . 0 0 "[ . 1 . 2]" 1
338 1 48 VAL HB 1 56 TYR HA . . 6.000 4.800 4.453 5.256 . 0 0 "[ . 1 . 2]" 1
339 1 48 VAL HB 1 56 TYR QD . . 6.000 4.557 3.831 4.869 . 0 0 "[ . 1 . 2]" 1
340 1 48 VAL MG1 1 49 LYS H . . 5.500 3.297 3.051 3.678 . 0 0 "[ . 1 . 2]" 1
341 1 48 VAL MG1 1 56 TYR QD . . 6.500 4.689 3.844 5.152 . 0 0 "[ . 1 . 2]" 1
342 1 48 VAL MG2 1 56 TYR QD . . 6.500 5.032 4.044 5.253 . 0 0 "[ . 1 . 2]" 1
343 1 48 VAL MG2 1 57 ASN HA . . 6.500 3.387 2.838 3.956 . 0 0 "[ . 1 . 2]" 1
344 1 48 VAL MG2 1 57 ASN QD . . 6.500 4.231 3.806 4.618 . 0 0 "[ . 1 . 2]" 1
345 1 48 VAL MG2 1 80 ILE MD . . 5.500 2.427 1.963 3.049 . 0 0 "[ . 1 . 2]" 1
346 1 49 LYS HA 1 50 LEU H . . 4.000 2.259 2.158 2.427 . 0 0 "[ . 1 . 2]" 1
347 1 49 LYS HA 1 55 ASP HA . . 4.500 2.364 2.163 2.677 . 0 0 "[ . 1 . 2]" 1
348 1 50 LEU H 1 50 LEU HG . . 5.000 3.267 2.455 4.698 . 0 0 "[ . 1 . 2]" 1
349 1 50 LEU H 1 54 GLU H . . 6.000 4.208 2.805 4.939 . 0 0 "[ . 1 . 2]" 1
350 1 50 LEU H 1 55 ASP H . . 6.000 4.623 4.115 4.871 . 0 0 "[ . 1 . 2]" 1
351 1 50 LEU H 1 55 ASP HA . . 5.000 2.746 2.097 3.539 . 0 0 "[ . 1 . 2]" 1
352 1 50 LEU H 1 56 TYR H . . 6.000 3.604 3.171 4.583 . 0 0 "[ . 1 . 2]" 1
353 1 50 LEU HA 1 51 PRO HA . . 6.000 4.489 4.445 4.538 . 0 0 "[ . 1 . 2]" 1
354 1 50 LEU MD1 1 52 SER H . . 6.500 3.308 1.914 3.896 . 0 0 "[ . 1 . 2]" 1
355 1 50 LEU MD1 1 54 GLU H . . 6.500 4.379 3.288 5.416 . 0 0 "[ . 1 . 2]" 1
356 1 50 LEU MD1 1 55 ASP HA . . 6.500 5.323 4.974 5.462 . 0 0 "[ . 1 . 2]" 1
357 1 50 LEU MD1 1 56 TYR QE . . 6.500 3.372 2.482 4.183 . 0 0 "[ . 1 . 2]" 1
358 1 50 LEU MD2 1 56 TYR H . . 6.500 3.861 2.449 4.765 . 0 0 "[ . 1 . 2]" 1
359 1 50 LEU HG 1 55 ASP HA . . 6.000 4.440 3.442 5.536 . 0 0 "[ . 1 . 2]" 1
360 1 50 LEU HG 1 56 TYR H . . 6.000 4.032 2.977 5.407 . 0 0 "[ . 1 . 2]" 1
361 1 51 PRO HA 1 52 SER H . . 5.000 3.611 3.561 3.631 . 0 0 "[ . 1 . 2]" 1
362 1 51 PRO HA 1 52 SER HA . . 6.000 4.864 4.816 4.910 . 0 0 "[ . 1 . 2]" 1
363 1 52 SER H 1 53 GLY H . . 5.000 3.160 2.708 3.481 . 0 0 "[ . 1 . 2]" 1
364 1 52 SER H 1 54 GLU H . . 6.000 4.393 3.394 4.998 . 0 0 "[ . 1 . 2]" 1
365 1 52 SER HA 1 53 GLY H . . 5.000 3.170 2.913 3.497 . 0 0 "[ . 1 . 2]" 1
366 1 53 GLY H 1 54 GLU H . . 4.000 3.113 2.219 3.641 . 0 0 "[ . 1 . 2]" 1
367 1 53 GLY QA 1 54 GLU H . . 5.000 2.733 2.602 3.004 . 0 0 "[ . 1 . 2]" 1
368 1 54 GLU H 1 55 ASP H . . 6.000 4.587 4.306 4.696 . 0 0 "[ . 1 . 2]" 1
369 1 54 GLU HA 1 55 ASP H . . 4.000 2.388 2.106 2.572 . 0 0 "[ . 1 . 2]" 1
370 1 55 ASP H 1 56 TYR H . . 6.000 4.418 4.163 4.597 . 0 0 "[ . 1 . 2]" 1
371 1 55 ASP H 1 56 TYR HA . . 6.000 5.144 4.724 5.476 . 0 0 "[ . 1 . 2]" 1
372 1 55 ASP HA 1 56 TYR H . . 4.000 2.185 2.134 2.330 . 0 0 "[ . 1 . 2]" 1
373 1 55 ASP HA 1 56 TYR HA . . 6.000 4.500 4.459 4.545 . 0 0 "[ . 1 . 2]" 1
374 1 56 TYR H 1 57 ASN H . . 6.000 4.387 4.195 4.486 . 0 0 "[ . 1 . 2]" 1
375 1 56 TYR HA 1 56 TYR QE . . 6.000 4.421 4.115 4.807 . 0 0 "[ . 1 . 2]" 1
376 1 56 TYR HA 1 57 ASN H . . 4.000 2.293 2.195 2.383 . 0 0 "[ . 1 . 2]" 1
377 1 56 TYR QD 1 57 ASN H . . 5.000 4.223 3.597 4.483 . 0 0 "[ . 1 . 2]" 1
378 1 57 ASN H 1 58 LEU H . . 6.000 4.386 4.068 4.530 . 0 0 "[ . 1 . 2]" 1
379 1 57 ASN HA 1 58 LEU H . . 4.000 2.189 2.125 2.293 . 0 0 "[ . 1 . 2]" 1
380 1 57 ASN HA 1 58 LEU HA . . 6.000 4.459 4.440 4.501 . 0 0 "[ . 1 . 2]" 1
381 1 58 LEU HA 1 59 LYS H . . 4.000 2.222 2.145 2.287 . 0 0 "[ . 1 . 2]" 1
382 1 58 LEU MD1 1 59 LYS H . . 5.500 2.864 2.162 4.223 . 0 0 "[ . 1 . 2]" 1
383 1 58 LEU MD1 1 60 LEU HG . . 6.500 4.027 2.274 5.414 . 0 0 "[ . 1 . 2]" 1
384 1 58 LEU HG 1 59 LYS H . . 5.000 3.030 2.520 4.900 . 0 0 "[ . 1 . 2]" 1
385 1 58 LEU HG 1 60 LEU HG . . 6.000 3.602 2.262 5.733 . 0 0 "[ . 1 . 2]" 1
386 1 59 LYS H 1 60 LEU H . . 6.000 4.098 3.888 4.384 . 0 0 "[ . 1 . 2]" 1
387 1 59 LYS HA 1 60 LEU H . . 4.000 2.243 2.163 2.328 . 0 0 "[ . 1 . 2]" 1
388 1 60 LEU H 1 60 LEU HG . . 5.000 3.584 2.622 4.976 . 0 0 "[ . 1 . 2]" 1
389 1 60 LEU H 1 61 GLU H . . 6.000 4.261 4.067 4.350 . 0 0 "[ . 1 . 2]" 1
390 1 60 LEU HA 1 61 GLU H . . 5.000 2.151 2.071 2.239 . 0 0 "[ . 1 . 2]" 1
391 1 60 LEU MD2 1 61 GLU H . . 6.500 3.875 2.739 4.911 . 0 0 "[ . 1 . 2]" 1
392 1 61 GLU HA 1 62 LEU H . . 4.000 2.245 2.169 2.289 . 0 0 "[ . 1 . 2]" 1
393 1 61 GLU HA 1 62 LEU MD2 . . 6.500 4.987 4.281 5.291 . 0 0 "[ . 1 . 2]" 1
394 1 62 LEU HA 1 63 LEU H . . 4.000 2.235 2.138 2.357 . 0 0 "[ . 1 . 2]" 1
395 1 62 LEU HA 1 92 TRP HZ3 . . 6.000 3.311 2.722 3.997 . 0 0 "[ . 1 . 2]" 1
396 1 62 LEU HA 1 95 LEU QD . . 6.500 3.455 2.460 4.457 . 0 0 "[ . 1 . 2]" 1
397 1 62 LEU HA 1 96 GLU HA . . 4.500 2.995 2.421 4.035 . 0 0 "[ . 1 . 2]" 1
398 1 62 LEU HA 1 97 GLY H . . 6.000 4.020 3.687 4.362 . 0 0 "[ . 1 . 2]" 1
399 1 62 LEU MD1 1 92 TRP HH2 . . 6.500 2.978 2.491 3.645 . 0 0 "[ . 1 . 2]" 1
400 1 62 LEU MD2 1 92 TRP HH2 . . 6.500 2.979 2.369 4.167 . 0 0 "[ . 1 . 2]" 1
401 1 62 LEU MD2 1 92 TRP HZ3 . . 6.500 2.410 2.105 2.900 . 0 0 "[ . 1 . 2]" 1
402 1 62 LEU MD2 1 95 LEU QD . . 7.000 2.517 2.003 3.729 . 0 0 "[ . 1 . 2]" 1
403 1 62 LEU MD2 1 96 GLU HA . . 6.500 4.265 3.599 4.733 . 0 0 "[ . 1 . 2]" 1
404 1 63 LEU H 1 64 HIS H . . 5.000 2.945 2.711 3.242 . 0 0 "[ . 1 . 2]" 1
405 1 63 LEU H 1 92 TRP HZ3 . . 5.000 3.085 2.340 4.179 . 0 0 "[ . 1 . 2]" 1
406 1 63 LEU H 1 96 GLU HA . . 5.000 3.159 2.424 4.406 . 0 0 "[ . 1 . 2]" 1
407 1 63 LEU H 1 97 GLY H . . 6.000 3.783 2.910 4.242 . 0 0 "[ . 1 . 2]" 1
408 1 63 LEU HA 1 97 GLY H . . 5.000 3.445 3.012 3.903 . 0 0 "[ . 1 . 2]" 1
409 1 63 LEU HA 1 97 GLY QA . . 6.000 2.472 2.153 3.231 . 0 0 "[ . 1 . 2]" 1
410 1 63 LEU HA 1 98 GLN H . . 6.000 4.610 3.104 5.860 . 0 0 "[ . 1 . 2]" 1
411 1 63 LEU MD1 1 94 LYS H . . 6.500 4.288 3.758 5.080 . 0 0 "[ . 1 . 2]" 1
412 1 63 LEU MD1 1 97 GLY H . . 6.500 4.347 4.036 4.682 . 0 0 "[ . 1 . 2]" 1
413 1 63 LEU MD1 1 97 GLY QA . . 6.500 2.606 2.112 3.452 . 0 0 "[ . 1 . 2]" 1
414 1 63 LEU MD1 1 98 GLN H . . 6.500 3.362 2.091 4.979 . 0 0 "[ . 1 . 2]" 1
415 1 63 LEU MD2 1 92 TRP HA . . 6.500 2.592 2.154 3.587 . 0 0 "[ . 1 . 2]" 1
416 1 63 LEU MD2 1 92 TRP HE3 . . 6.500 3.728 3.112 4.775 . 0 0 "[ . 1 . 2]" 1
417 1 63 LEU MD2 1 93 GLU H . . 6.500 3.785 2.522 4.880 . 0 0 "[ . 1 . 2]" 1
418 1 63 LEU MD2 1 94 LYS H . . 5.500 2.799 2.024 3.613 . 0 0 "[ . 1 . 2]" 1
419 1 65 PRO HA 1 66 ILE H . . 4.000 2.523 2.341 3.546 . 0 0 "[ . 1 . 2]" 1
420 1 65 PRO HA 1 66 ILE MG . . 6.500 3.625 3.148 4.400 . 0 0 "[ . 1 . 2]" 1
421 1 66 ILE HA 1 67 ILE HB . . 6.000 4.741 4.632 5.034 . 0 0 "[ . 1 . 2]" 1
422 1 66 ILE HA 1 86 LYS HA . . 6.000 5.297 4.393 6.037 0.037 9 0 "[ . 1 . 2]" 1
423 1 66 ILE HB 1 92 TRP HZ2 . . 6.000 4.374 3.106 4.828 . 0 0 "[ . 1 . 2]" 1
424 1 66 ILE MD 1 67 ILE H . . 6.500 3.210 2.121 4.010 . 0 0 "[ . 1 . 2]" 1
425 1 66 ILE MD 1 67 ILE HA . . 6.500 4.296 3.775 5.436 . 0 0 "[ . 1 . 2]" 1
426 1 66 ILE MD 1 68 PRO HA . . 6.500 3.369 2.602 4.256 . 0 0 "[ . 1 . 2]" 1
427 1 66 ILE MD 1 71 SER HA . . 6.500 3.782 2.869 4.255 . 0 0 "[ . 1 . 2]" 1
428 1 66 ILE MD 1 84 LEU HA . . 6.500 4.030 2.980 4.632 . 0 0 "[ . 1 . 2]" 1
429 1 66 ILE MD 1 85 LYS H . . 6.500 4.395 2.442 5.415 . 0 0 "[ . 1 . 2]" 1
430 1 66 ILE MD 1 92 TRP HZ2 . . 6.500 5.106 4.204 5.442 . 0 0 "[ . 1 . 2]" 1
431 1 66 ILE MG 1 67 ILE H . . 6.500 3.653 3.416 3.915 . 0 0 "[ . 1 . 2]" 1
432 1 66 ILE MG 1 84 LEU MD1 . . 7.000 2.658 2.043 4.449 . 0 0 "[ . 1 . 2]" 1
433 1 66 ILE MG 1 86 LYS HA . . 6.500 3.440 2.278 5.422 . 0 0 "[ . 1 . 2]" 1
434 1 66 ILE MG 1 92 TRP HH2 . . 6.500 2.596 2.096 3.575 . 0 0 "[ . 1 . 2]" 1
435 1 66 ILE MG 1 92 TRP HZ2 . . 6.500 2.525 2.033 4.706 . 0 0 "[ . 1 . 2]" 1
436 1 67 ILE HB 1 70 GLN H . . 6.000 3.427 3.148 3.734 . 0 0 "[ . 1 . 2]" 1
437 1 67 ILE MD 1 87 PRO HA . . 5.000 3.182 2.445 4.101 . 0 0 "[ . 1 . 2]" 1
438 1 67 ILE MG 1 69 GLU H . . 5.500 2.267 2.096 2.610 . 0 0 "[ . 1 . 2]" 1
439 1 67 ILE MG 1 70 GLN H . . 5.500 2.783 2.437 3.141 . 0 0 "[ . 1 . 2]" 1
440 1 67 ILE MG 1 70 GLN HA . . 6.500 4.855 4.388 5.345 . 0 0 "[ . 1 . 2]" 1
441 1 68 PRO HA 1 69 GLU H . . 5.000 3.582 3.565 3.622 . 0 0 "[ . 1 . 2]" 1
442 1 68 PRO HA 1 71 SER H . . 5.000 3.742 3.364 4.056 . 0 0 "[ . 1 . 2]" 1
443 1 69 GLU H 1 70 GLN H . . 5.000 2.908 2.821 2.989 . 0 0 "[ . 1 . 2]" 1
444 1 69 GLU HA 1 70 GLN H . . 5.000 3.489 3.359 3.572 . 0 0 "[ . 1 . 2]" 1
445 1 70 GLN H 1 71 SER H . . 5.000 2.514 2.210 2.775 . 0 0 "[ . 1 . 2]" 1
446 1 70 GLN HA 1 71 SER H . . 5.000 3.198 3.052 3.403 . 0 0 "[ . 1 . 2]" 1
447 1 70 GLN HA 1 72 THR MG . . 6.500 4.584 3.111 5.403 . 0 0 "[ . 1 . 2]" 1
448 1 71 SER HA 1 72 THR H . . 4.000 2.241 2.188 2.270 . 0 0 "[ . 1 . 2]" 1
449 1 71 SER HA 1 72 THR MG . . 6.500 3.463 3.223 3.621 . 0 0 "[ . 1 . 2]" 1
450 1 71 SER HA 1 84 LEU MD2 . . 6.500 4.245 3.657 4.526 . 0 0 "[ . 1 . 2]" 1
451 1 71 SER HA 1 85 LYS H . . 5.000 3.607 3.509 3.703 . 0 0 "[ . 1 . 2]" 1
452 1 72 THR H 1 73 PHE H . . 6.000 4.384 4.313 4.543 . 0 0 "[ . 1 . 2]" 1
453 1 72 THR H 1 83 LYS H . . 5.000 3.259 2.997 3.546 . 0 0 "[ . 1 . 2]" 1
454 1 72 THR H 1 84 LEU HA . . 6.000 3.295 2.990 3.498 . 0 0 "[ . 1 . 2]" 1
455 1 72 THR H 1 84 LEU MD2 . . 6.500 4.375 3.842 4.615 . 0 0 "[ . 1 . 2]" 1
456 1 72 THR HA 1 72 THR HB . . 3.000 2.433 2.380 2.470 . 0 0 "[ . 1 . 2]" 1
457 1 72 THR HA 1 73 PHE H . . 4.000 2.592 2.415 2.722 . 0 0 "[ . 1 . 2]" 1
458 1 72 THR HB 1 73 PHE H . . 4.000 3.439 2.467 3.901 . 0 0 "[ . 1 . 2]" 1
459 1 72 THR MG 1 73 PHE H . . 6.500 3.323 2.923 4.071 . 0 0 "[ . 1 . 2]" 1
460 1 73 PHE H 1 73 PHE QD . . 5.000 3.162 2.942 3.442 . 0 0 "[ . 1 . 2]" 1
461 1 73 PHE H 1 74 LYS H . . 6.000 4.264 4.003 4.349 . 0 0 "[ . 1 . 2]" 1
462 1 73 PHE HA 1 74 LYS H . . 4.000 2.257 2.081 2.376 . 0 0 "[ . 1 . 2]" 1
463 1 73 PHE HA 1 80 ILE MG . . 6.500 4.094 3.363 4.503 . 0 0 "[ . 1 . 2]" 1
464 1 73 PHE HA 1 82 ILE HA . . 4.500 2.196 2.103 2.272 . 0 0 "[ . 1 . 2]" 1
465 1 73 PHE HA 1 82 ILE MD . . 6.500 5.238 4.289 5.432 . 0 0 "[ . 1 . 2]" 1
466 1 73 PHE HA 1 82 ILE MG . . 6.500 3.733 3.378 3.848 . 0 0 "[ . 1 . 2]" 1
467 1 73 PHE HA 1 83 LYS H . . 5.000 2.793 2.420 3.663 . 0 0 "[ . 1 . 2]" 1
468 1 73 PHE QD 1 74 LYS H . . 5.000 3.778 3.194 4.469 . 0 0 "[ . 1 . 2]" 1
469 1 73 PHE QD 1 74 LYS HA . . 6.000 3.945 3.469 4.699 . 0 0 "[ . 1 . 2]" 1
470 1 73 PHE QD 1 75 VAL MG2 . . 6.500 2.484 2.090 3.312 . 0 0 "[ . 1 . 2]" 1
471 1 73 PHE QD 1 80 ILE MG . . 6.500 2.620 2.099 3.229 . 0 0 "[ . 1 . 2]" 1
472 1 73 PHE QE 1 75 VAL MG2 . . 6.500 2.800 2.334 3.841 . 0 0 "[ . 1 . 2]" 1
473 1 74 LYS H 1 80 ILE MG . . 6.500 3.354 2.802 3.809 . 0 0 "[ . 1 . 2]" 1
474 1 74 LYS HA 1 75 VAL H . . 4.000 2.217 2.145 2.349 . 0 0 "[ . 1 . 2]" 1
475 1 75 VAL H 1 75 VAL HB . . 4.000 2.501 2.418 2.645 . 0 0 "[ . 1 . 2]" 1
476 1 75 VAL HA 1 76 LEU H . . 4.000 2.252 2.160 2.339 . 0 0 "[ . 1 . 2]" 1
477 1 75 VAL HA 1 80 ILE HA . . 4.500 2.276 2.157 2.412 . 0 0 "[ . 1 . 2]" 1
478 1 75 VAL HA 1 80 ILE MD . . 6.500 4.534 3.990 5.214 . 0 0 "[ . 1 . 2]" 1
479 1 75 VAL HA 1 80 ILE MG . . 6.500 2.852 2.278 3.611 . 0 0 "[ . 1 . 2]" 1
480 1 75 VAL HA 1 81 GLU H . . 5.000 3.494 2.995 3.688 . 0 0 "[ . 1 . 2]" 1
481 1 75 VAL HB 1 76 LEU H . . 6.000 4.434 4.241 4.578 . 0 0 "[ . 1 . 2]" 1
482 1 75 VAL MG2 1 80 ILE HA . . 6.500 3.504 2.556 3.870 . 0 0 "[ . 1 . 2]" 1
483 1 76 LEU H 1 76 LEU HG . . 5.000 3.789 2.572 4.487 . 0 0 "[ . 1 . 2]" 1
484 1 76 LEU H 1 79 LYS H . . 6.000 3.467 3.143 3.843 . 0 0 "[ . 1 . 2]" 1
485 1 76 LEU H 1 80 ILE HA . . 5.000 2.855 2.361 3.446 . 0 0 "[ . 1 . 2]" 1
486 1 76 LEU H 1 81 GLU H . . 6.000 3.688 2.908 4.377 . 0 0 "[ . 1 . 2]" 1
487 1 76 LEU HA 1 76 LEU HG . . 4.500 3.052 2.346 3.796 . 0 0 "[ . 1 . 2]" 1
488 1 76 LEU HA 1 77 SER H . . 5.000 2.710 2.300 3.576 . 0 0 "[ . 1 . 2]" 1
489 1 76 LEU MD2 1 77 SER H . . 6.500 4.661 3.817 5.491 . 0 0 "[ . 1 . 2]" 1
490 1 76 LEU HG 1 77 SER H . . 6.000 4.621 3.625 6.011 0.011 7 0 "[ . 1 . 2]" 1
491 1 77 SER H 1 78 THR H . . 5.000 3.275 2.590 3.975 . 0 0 "[ . 1 . 2]" 1
492 1 78 THR H 1 79 LYS H . . 4.000 2.418 2.060 2.622 . 0 0 "[ . 1 . 2]" 1
493 1 79 LYS HA 1 80 ILE H . . 4.000 2.325 2.148 2.565 . 0 0 "[ . 1 . 2]" 1
494 1 79 LYS HA 1 80 ILE HA . . 6.000 4.488 4.415 4.583 . 0 0 "[ . 1 . 2]" 1
495 1 80 ILE HA 1 81 GLU H . . 4.000 2.194 2.162 2.239 . 0 0 "[ . 1 . 2]" 1
496 1 80 ILE HA 1 81 GLU HA . . 6.000 4.507 4.476 4.532 . 0 0 "[ . 1 . 2]" 1
497 1 80 ILE MG 1 81 GLU H . . 5.500 2.886 2.579 3.197 . 0 0 "[ . 1 . 2]" 1
498 1 80 ILE MG 1 81 GLU HA . . 6.500 4.009 3.841 4.183 . 0 0 "[ . 1 . 2]" 1
499 1 80 ILE MG 1 82 ILE HA . . 6.500 3.716 3.401 4.210 . 0 0 "[ . 1 . 2]" 1
500 1 81 GLU HA 1 82 ILE H . . 4.000 2.180 2.132 2.264 . 0 0 "[ . 1 . 2]" 1
501 1 82 ILE H 1 84 LEU MD2 . . 6.500 5.383 4.951 5.449 . 0 0 "[ . 1 . 2]" 1
502 1 82 ILE HA 1 83 LYS H . . 5.000 2.268 2.222 2.323 . 0 0 "[ . 1 . 2]" 1
503 1 82 ILE MG 1 83 LYS H . . 5.500 2.847 2.470 3.461 . 0 0 "[ . 1 . 2]" 1
504 1 82 ILE MG 1 83 LYS HA . . 6.500 3.879 3.549 4.189 . 0 0 "[ . 1 . 2]" 1
505 1 82 ILE MG 1 84 LEU HA . . 6.500 5.021 4.695 5.304 . 0 0 "[ . 1 . 2]" 1
506 1 82 ILE MG 1 84 LEU MD2 . . 7.000 2.540 2.236 2.954 . 0 0 "[ . 1 . 2]" 1
507 1 83 LYS H 1 84 LEU H . . 6.000 4.369 4.245 4.519 . 0 0 "[ . 1 . 2]" 1
508 1 83 LYS H 1 84 LEU MD2 . . 6.500 4.010 3.632 4.295 . 0 0 "[ . 1 . 2]" 1
509 1 83 LYS HA 1 84 LEU H . . 4.000 2.178 2.143 2.216 . 0 0 "[ . 1 . 2]" 1
510 1 83 LYS HA 1 84 LEU MD2 . . 6.500 2.990 2.672 3.173 . 0 0 "[ . 1 . 2]" 1
511 1 83 LYS HA 1 84 LEU HG . . 6.000 4.303 3.919 4.944 . 0 0 "[ . 1 . 2]" 1
512 1 84 LEU H 1 84 LEU HG . . 5.000 2.458 2.177 3.034 . 0 0 "[ . 1 . 2]" 1
513 1 84 LEU MD1 1 92 TRP HH2 . . 6.500 2.748 2.242 3.686 . 0 0 "[ . 1 . 2]" 1
514 1 84 LEU MD1 1 95 LEU QD . . 7.000 3.462 3.011 4.145 . 0 0 "[ . 1 . 2]" 1
515 1 84 LEU HG 1 85 LYS H . . 5.000 4.785 4.649 5.003 0.003 3 0 "[ . 1 . 2]" 1
516 1 84 LEU HG 1 92 TRP HZ2 . . 6.000 5.882 5.031 6.039 0.039 18 0 "[ . 1 . 2]" 1
517 1 85 LYS HA 1 86 LYS H . . 4.000 2.214 2.097 2.294 . 0 0 "[ . 1 . 2]" 1
518 1 86 LYS HA 1 92 TRP HZ2 . . 6.000 3.757 2.798 4.601 . 0 0 "[ . 1 . 2]" 1
519 1 88 GLU HA 1 89 ALA H . . 4.000 2.293 2.196 2.458 . 0 0 "[ . 1 . 2]" 1
520 1 88 GLU HA 1 89 ALA MB . . 6.500 3.978 3.910 4.114 . 0 0 "[ . 1 . 2]" 1
521 1 89 ALA H 1 90 VAL H . . 6.000 3.709 3.574 3.824 . 0 0 "[ . 1 . 2]" 1
522 1 89 ALA MB 1 90 VAL H . . 6.500 3.739 3.705 3.767 . 0 0 "[ . 1 . 2]" 1
523 1 89 ALA MB 1 90 VAL HA . . 6.500 4.356 4.307 4.440 . 0 0 "[ . 1 . 2]" 1
524 1 89 ALA MB 1 90 VAL MG1 . . 7.000 4.856 4.810 4.886 . 0 0 "[ . 1 . 2]" 1
525 1 90 VAL HB 1 91 ARG H . . 5.000 4.186 4.004 4.336 . 0 0 "[ . 1 . 2]" 1
526 1 90 VAL HB 1 92 TRP HD1 . . 6.000 5.572 5.125 6.005 0.005 15 0 "[ . 1 . 2]" 1
527 1 90 VAL MG1 1 92 TRP HD1 . . 6.500 2.714 2.264 3.230 . 0 0 "[ . 1 . 2]" 1
528 1 90 VAL MG2 1 91 ARG H . . 6.500 2.569 2.155 2.983 . 0 0 "[ . 1 . 2]" 1
529 1 90 VAL MG2 1 92 TRP HD1 . . 6.500 3.927 2.843 4.918 . 0 0 "[ . 1 . 2]" 1
530 1 91 ARG HA 1 92 TRP H . . 4.000 2.228 2.130 2.320 . 0 0 "[ . 1 . 2]" 1
531 1 91 ARG HA 1 92 TRP HD1 . . 6.000 4.194 3.386 4.709 . 0 0 "[ . 1 . 2]" 1
532 1 92 TRP H 1 92 TRP HD1 . . 5.000 2.822 2.171 3.393 . 0 0 "[ . 1 . 2]" 1
533 1 92 TRP HA 1 93 GLU H . . 4.000 2.743 2.177 3.562 . 0 0 "[ . 1 . 2]" 1
534 1 92 TRP HE3 1 95 LEU HA . . 6.000 2.429 2.209 2.893 . 0 0 "[ . 1 . 2]" 1
535 1 92 TRP HE3 1 95 LEU QD . . 6.500 2.639 2.003 3.526 . 0 0 "[ . 1 . 2]" 1
536 1 92 TRP HZ3 1 95 LEU HA . . 6.000 4.043 3.299 5.005 . 0 0 "[ . 1 . 2]" 1
537 1 92 TRP HZ3 1 95 LEU QD . . 6.500 2.691 2.102 3.510 . 0 0 "[ . 1 . 2]" 1
538 1 93 GLU H 1 94 LYS H . . 5.000 3.188 2.600 3.894 . 0 0 "[ . 1 . 2]" 1
539 1 93 GLU HA 1 94 LYS H . . 5.000 3.556 3.519 3.588 . 0 0 "[ . 1 . 2]" 1
540 1 94 LYS HA 1 95 LEU H . . 5.000 2.639 2.150 3.533 . 0 0 "[ . 1 . 2]" 1
541 1 94 LYS HA 1 96 GLU H . . 5.000 4.321 3.810 5.009 0.009 7 0 "[ . 1 . 2]" 1
542 1 94 LYS HA 1 99 GLY QA . . 6.000 4.930 3.207 5.393 . 0 0 "[ . 1 . 2]" 1
543 1 95 LEU H 1 96 GLU H . . 5.000 3.015 2.130 3.951 . 0 0 "[ . 1 . 2]" 1
544 1 95 LEU HA 1 96 GLU H . . 6.000 3.578 3.541 3.614 . 0 0 "[ . 1 . 2]" 1
545 1 96 GLU HA 1 97 GLY H . . 4.000 2.397 2.169 2.613 . 0 0 "[ . 1 . 2]" 1
546 1 97 GLY QA 1 98 GLN H . . 5.000 2.347 2.115 2.713 . 0 0 "[ . 1 . 2]" 1
547 1 98 GLN HA 1 99 GLY H . . 5.000 2.745 2.292 3.602 . 0 0 "[ . 1 . 2]" 1
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