NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585466 |
4uzw   |
25213 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_4uzw
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 949
_Distance_constraint_stats_list.Viol_count 606
_Distance_constraint_stats_list.Viol_total 162.180
_Distance_constraint_stats_list.Viol_max 0.057
_Distance_constraint_stats_list.Viol_rms 0.0032
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0134
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.169 0.026 9 0 "[ . 1 . 2]"
1 3 ASP 0.021 0.013 12 0 "[ . 1 . 2]"
1 4 TYR 0.277 0.026 9 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.299 0.017 11 0 "[ . 1 . 2]"
1 8 THR 0.001 0.001 11 0 "[ . 1 . 2]"
1 9 VAL 0.362 0.023 18 0 "[ . 1 . 2]"
1 10 VAL 0.170 0.013 12 0 "[ . 1 . 2]"
1 11 GLN 0.296 0.016 10 0 "[ . 1 . 2]"
1 12 LEU 1.131 0.023 18 0 "[ . 1 . 2]"
1 13 LYS 0.429 0.016 17 0 "[ . 1 . 2]"
1 14 ASP 0.334 0.016 12 0 "[ . 1 . 2]"
1 15 LEU 1.035 0.038 11 0 "[ . 1 . 2]"
1 16 LEU 1.466 0.057 11 0 "[ . 1 . 2]"
1 17 THR 0.643 0.031 12 0 "[ . 1 . 2]"
1 18 LYS 0.841 0.031 12 0 "[ . 1 . 2]"
1 19 ARG 0.311 0.024 5 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.015 0.002 20 0 "[ . 1 . 2]"
1 22 SER 0.001 0.001 19 0 "[ . 1 . 2]"
1 23 VAL 0.001 0.001 12 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.041 0.005 11 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASN 0.050 0.005 11 0 "[ . 1 . 2]"
1 29 GLU 0.901 0.056 6 0 "[ . 1 . 2]"
1 30 LEU 1.031 0.056 6 0 "[ . 1 . 2]"
1 31 VAL 0.819 0.046 1 0 "[ . 1 . 2]"
1 32 GLN 1.127 0.046 1 0 "[ . 1 . 2]"
1 33 ARG 0.614 0.026 16 0 "[ . 1 . 2]"
1 34 LEU 0.018 0.004 6 0 "[ . 1 . 2]"
1 35 ILE 0.024 0.005 10 0 "[ . 1 . 2]"
1 36 LYS 0.183 0.012 15 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.507 0.030 15 0 "[ . 1 . 2]"
1 39 GLU 0.791 0.030 15 0 "[ . 1 . 2]"
1 40 GLU 0.634 0.027 6 0 "[ . 1 . 2]"
1 41 SER 0.458 0.027 18 0 "[ . 1 . 2]"
1 42 LYS 0.060 0.025 15 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.075 0.039 5 0 "[ . 1 . 2]"
1 45 SER 0.162 0.039 5 0 "[ . 1 . 2]"
1 46 GLU 0.161 0.038 12 0 "[ . 1 . 2]"
1 47 VAL 0.125 0.038 12 0 "[ . 1 . 2]"
1 48 SER 0.052 0.026 16 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 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 3 ASP H 1 3 ASP HA 3.000 . 3.500 2.783 2.756 2.825 . 0 0 "[ . 1 . 2]" 1
2 1 3 ASP H 1 3 ASP QB 3.000 . 3.500 2.165 2.065 2.558 . 0 0 "[ . 1 . 2]" 1
3 1 4 TYR H 1 4 TYR HA 3.000 . 3.500 2.780 2.772 2.794 . 0 0 "[ . 1 . 2]" 1
4 1 4 TYR H 1 4 TYR HB3 4.000 . 4.750 3.589 3.585 3.591 . 0 0 "[ . 1 . 2]" 1
5 1 4 TYR H 1 4 TYR HB2 3.000 . 3.500 2.584 2.504 2.660 . 0 0 "[ . 1 . 2]" 1
6 1 4 TYR H 1 4 TYR QD 3.000 . 3.500 2.860 2.697 3.147 . 0 0 "[ . 1 . 2]" 1
7 1 4 TYR H 1 4 TYR QE 4.000 . 4.750 4.268 4.132 4.480 . 0 0 "[ . 1 . 2]" 1
8 1 4 TYR HA 1 4 TYR QD 3.000 . 3.500 2.418 2.099 2.560 . 0 0 "[ . 1 . 2]" 1
9 1 4 TYR HA 1 4 TYR QE 5.000 . 6.000 4.505 4.339 4.590 . 0 0 "[ . 1 . 2]" 1
10 1 4 TYR HB3 1 4 TYR QD 3.000 . 3.500 2.614 2.554 2.723 . 0 0 "[ . 1 . 2]" 1
11 1 4 TYR HB2 1 4 TYR QD 3.000 . 3.500 2.284 2.273 2.295 . 0 0 "[ . 1 . 2]" 1
12 1 5 SER H 1 5 SER HA 3.000 . 3.500 2.794 2.784 2.803 . 0 0 "[ . 1 . 2]" 1
13 1 5 SER H 1 5 SER QB 3.000 . 3.500 2.279 2.086 2.695 . 0 0 "[ . 1 . 2]" 1
14 1 7 LEU H 1 7 LEU HB3 4.000 . 4.750 3.609 3.598 3.631 . 0 0 "[ . 1 . 2]" 1
15 1 7 LEU H 1 7 LEU HB2 3.000 . 3.500 2.800 2.749 2.834 . 0 0 "[ . 1 . 2]" 1
16 1 7 LEU H 1 7 LEU HG 3.000 . 3.500 1.976 1.960 1.995 . 0 0 "[ . 1 . 2]" 1
17 1 7 LEU H 1 7 LEU MD1 4.000 . 4.750 3.610 3.478 3.649 . 0 0 "[ . 1 . 2]" 1
18 1 7 LEU H 1 7 LEU MD2 4.000 . 4.750 2.737 2.519 3.107 . 0 0 "[ . 1 . 2]" 1
19 1 7 LEU HA 1 7 LEU HG 4.000 . 4.750 3.439 3.270 3.512 . 0 0 "[ . 1 . 2]" 1
20 1 7 LEU HA 1 7 LEU MD2 3.000 . 3.500 2.266 2.039 2.406 . 0 0 "[ . 1 . 2]" 1
21 1 7 LEU HB3 1 7 LEU HG 3.000 . 3.500 3.018 3.015 3.020 . 0 0 "[ . 1 . 2]" 1
22 1 7 LEU HB2 1 7 LEU HG 3.000 . 3.500 2.450 2.419 2.530 . 0 0 "[ . 1 . 2]" 1
23 1 8 THR H 1 8 THR MG 3.000 . 3.500 2.037 1.950 2.154 . 0 0 "[ . 1 . 2]" 1
24 1 9 VAL H 1 9 VAL HA 3.000 . 3.500 2.809 2.805 2.813 . 0 0 "[ . 1 . 2]" 1
25 1 9 VAL H 1 9 VAL HB 3.000 . 3.500 2.632 2.603 2.667 . 0 0 "[ . 1 . 2]" 1
26 1 9 VAL HA 1 9 VAL HB 3.000 . 3.500 3.024 3.021 3.026 . 0 0 "[ . 1 . 2]" 1
27 1 10 VAL H 1 10 VAL HA 3.000 . 3.500 2.826 2.825 2.827 . 0 0 "[ . 1 . 2]" 1
28 1 10 VAL H 1 10 VAL HB 3.000 . 3.500 2.640 2.627 2.660 . 0 0 "[ . 1 . 2]" 1
29 1 10 VAL HA 1 10 VAL HB 3.000 . 3.500 3.021 3.019 3.023 . 0 0 "[ . 1 . 2]" 1
30 1 11 GLN H 1 11 GLN HA 3.000 . 3.500 2.830 2.825 2.834 . 0 0 "[ . 1 . 2]" 1
31 1 11 GLN H 1 11 GLN HB3 3.000 . 3.500 3.489 3.462 3.503 0.003 8 0 "[ . 1 . 2]" 1
32 1 11 GLN H 1 11 GLN HB2 3.000 . 3.500 2.182 2.150 2.202 . 0 0 "[ . 1 . 2]" 1
33 1 11 GLN H 1 11 GLN QG 3.000 . 3.500 2.885 2.815 3.020 . 0 0 "[ . 1 . 2]" 1
34 1 11 GLN HA 1 11 GLN HB3 3.000 . 3.500 2.676 2.657 2.708 . 0 0 "[ . 1 . 2]" 1
35 1 11 GLN HA 1 11 GLN HE21 5.000 . 6.000 4.715 4.605 4.778 . 0 0 "[ . 1 . 2]" 1
36 1 11 GLN HA 1 11 GLN QG 3.000 . 3.500 2.290 2.258 2.306 . 0 0 "[ . 1 . 2]" 1
37 1 11 GLN HB3 1 11 GLN HE22 5.000 . 6.000 4.516 4.331 4.914 . 0 0 "[ . 1 . 2]" 1
38 1 11 GLN HB2 1 11 GLN HE22 5.000 . 6.000 4.568 4.437 4.627 . 0 0 "[ . 1 . 2]" 1
39 1 12 LEU H 1 12 LEU HA 3.000 . 3.500 2.811 2.802 2.816 . 0 0 "[ . 1 . 2]" 1
40 1 12 LEU H 1 12 LEU HB3 4.000 . 4.750 3.500 3.491 3.507 . 0 0 "[ . 1 . 2]" 1
41 1 12 LEU H 1 12 LEU HB2 3.000 . 3.500 2.204 2.188 2.217 . 0 0 "[ . 1 . 2]" 1
42 1 12 LEU H 1 12 LEU HG 3.000 . 3.500 2.883 2.821 2.941 . 0 0 "[ . 1 . 2]" 1
43 1 12 LEU H 1 12 LEU MD1 5.000 . 6.000 3.477 3.160 3.704 . 0 0 "[ . 1 . 2]" 1
44 1 12 LEU H 1 12 LEU MD2 5.000 . 6.000 4.000 3.867 4.142 . 0 0 "[ . 1 . 2]" 1
45 1 12 LEU HA 1 12 LEU HB3 3.000 . 3.500 2.651 2.638 2.665 . 0 0 "[ . 1 . 2]" 1
46 1 12 LEU HA 1 12 LEU HG 3.000 . 3.500 2.600 2.433 2.737 . 0 0 "[ . 1 . 2]" 1
47 1 12 LEU HA 1 12 LEU MD1 4.000 . 4.750 3.800 3.764 3.816 . 0 0 "[ . 1 . 2]" 1
48 1 12 LEU HA 1 12 LEU MD2 3.000 . 3.500 2.263 1.966 2.635 . 0 0 "[ . 1 . 2]" 1
49 1 12 LEU HB3 1 12 LEU HG 3.000 . 3.500 2.998 2.958 3.018 . 0 0 "[ . 1 . 2]" 1
50 1 12 LEU HB3 1 12 LEU MD1 3.000 . 3.500 2.534 2.351 2.742 . 0 0 "[ . 1 . 2]" 1
51 1 12 LEU HB2 1 12 LEU HG 3.000 . 3.500 2.579 2.503 2.692 . 0 0 "[ . 1 . 2]" 1
52 1 13 LYS H 1 13 LYS HA 3.000 . 3.500 2.821 2.808 2.832 . 0 0 "[ . 1 . 2]" 1
53 1 13 LYS H 1 13 LYS QB 3.000 . 3.500 2.101 2.040 2.219 . 0 0 "[ . 1 . 2]" 1
54 1 13 LYS H 1 13 LYS QG 4.000 . 4.750 3.193 2.782 3.894 . 0 0 "[ . 1 . 2]" 1
55 1 13 LYS H 1 13 LYS QD 4.000 . 4.750 4.054 3.413 4.589 . 0 0 "[ . 1 . 2]" 1
56 1 13 LYS H 1 13 LYS QE 5.000 . 6.000 4.889 4.084 5.444 . 0 0 "[ . 1 . 2]" 1
57 1 13 LYS HA 1 13 LYS QG 3.000 . 3.500 2.155 2.036 2.287 . 0 0 "[ . 1 . 2]" 1
58 1 13 LYS HA 1 13 LYS QD 4.000 . 4.750 3.761 3.080 3.996 . 0 0 "[ . 1 . 2]" 1
59 1 13 LYS QB 1 13 LYS QD 3.000 . 3.500 2.064 1.949 2.149 . 0 0 "[ . 1 . 2]" 1
60 1 13 LYS QB 1 13 LYS QE 4.000 . 4.750 3.185 2.372 3.666 . 0 0 "[ . 1 . 2]" 1
61 1 14 ASP H 1 14 ASP HA 3.000 . 3.500 2.823 2.809 2.833 . 0 0 "[ . 1 . 2]" 1
62 1 14 ASP H 1 14 ASP QB 3.000 . 3.500 2.162 2.057 2.331 . 0 0 "[ . 1 . 2]" 1
63 1 15 LEU H 1 15 LEU HA 3.000 . 3.500 2.807 2.799 2.822 . 0 0 "[ . 1 . 2]" 1
64 1 15 LEU H 1 15 LEU HB3 4.000 . 4.750 3.487 3.461 3.507 . 0 0 "[ . 1 . 2]" 1
65 1 15 LEU H 1 15 LEU HB2 3.000 . 3.500 2.183 2.148 2.215 . 0 0 "[ . 1 . 2]" 1
66 1 15 LEU H 1 15 LEU HG 3.000 . 3.500 2.914 2.828 3.012 . 0 0 "[ . 1 . 2]" 1
67 1 15 LEU H 1 15 LEU MD1 5.000 . 6.000 3.771 3.613 3.908 . 0 0 "[ . 1 . 2]" 1
68 1 15 LEU H 1 15 LEU MD2 4.000 . 4.750 3.849 3.801 3.940 . 0 0 "[ . 1 . 2]" 1
69 1 15 LEU HA 1 15 LEU HB3 3.000 . 3.500 2.672 2.642 2.702 . 0 0 "[ . 1 . 2]" 1
70 1 15 LEU HA 1 15 LEU HG 4.000 . 4.750 2.762 2.699 2.811 . 0 0 "[ . 1 . 2]" 1
71 1 15 LEU HA 1 15 LEU MD1 4.000 . 4.750 3.796 3.769 3.817 . 0 0 "[ . 1 . 2]" 1
72 1 15 LEU HA 1 15 LEU MD2 3.000 . 3.500 1.977 1.934 2.231 . 0 0 "[ . 1 . 2]" 1
73 1 15 LEU HB2 1 15 LEU HG 3.000 . 3.500 2.474 2.428 2.521 . 0 0 "[ . 1 . 2]" 1
74 1 15 LEU HB2 1 15 LEU MD1 3.000 . 3.500 2.305 2.139 2.438 . 0 0 "[ . 1 . 2]" 1
75 1 16 LEU H 1 16 LEU HA 3.000 . 3.500 2.817 2.807 2.824 . 0 0 "[ . 1 . 2]" 1
76 1 16 LEU H 1 16 LEU HB3 3.000 . 3.500 3.527 3.484 3.557 0.057 11 0 "[ . 1 . 2]" 1
77 1 16 LEU H 1 16 LEU HB2 4.000 . 4.750 2.277 2.178 2.402 . 0 0 "[ . 1 . 2]" 1
78 1 16 LEU H 1 16 LEU HG 3.000 . 3.500 2.887 2.356 3.327 . 0 0 "[ . 1 . 2]" 1
79 1 16 LEU H 1 16 LEU MD1 4.000 . 4.750 3.036 2.760 3.595 . 0 0 "[ . 1 . 2]" 1
80 1 16 LEU H 1 16 LEU MD2 4.000 . 4.750 4.072 3.431 4.310 . 0 0 "[ . 1 . 2]" 1
81 1 16 LEU HA 1 16 LEU HB2 3.000 . 3.500 2.998 2.972 3.017 . 0 0 "[ . 1 . 2]" 1
82 1 16 LEU HA 1 16 LEU HG 3.000 . 3.500 2.459 2.200 3.011 . 0 0 "[ . 1 . 2]" 1
83 1 16 LEU HA 1 16 LEU MD2 3.000 . 3.500 2.742 1.954 3.122 . 0 0 "[ . 1 . 2]" 1
84 1 16 LEU HB3 1 16 LEU HG 3.000 . 3.500 2.921 2.853 3.016 . 0 0 "[ . 1 . 2]" 1
85 1 16 LEU HB2 1 16 LEU HG 3.000 . 3.500 2.739 2.481 2.847 . 0 0 "[ . 1 . 2]" 1
86 1 16 LEU HB2 1 16 LEU MD1 3.000 . 3.500 2.017 1.910 2.370 . 0 0 "[ . 1 . 2]" 1
87 1 17 THR H 1 17 THR HA 3.000 . 3.500 2.797 2.796 2.798 . 0 0 "[ . 1 . 2]" 1
88 1 17 THR H 1 17 THR HB 3.000 . 3.500 3.155 2.532 3.479 . 0 0 "[ . 1 . 2]" 1
89 1 17 THR H 1 17 THR MG 4.000 . 4.750 3.253 2.849 3.747 . 0 0 "[ . 1 . 2]" 1
90 1 17 THR HA 1 17 THR HB 3.000 . 3.500 2.839 2.708 3.026 . 0 0 "[ . 1 . 2]" 1
91 1 18 LYS H 1 18 LYS HA 3.000 . 3.500 2.840 2.838 2.840 . 0 0 "[ . 1 . 2]" 1
92 1 18 LYS H 1 18 LYS QB 3.000 . 3.500 2.156 2.054 2.392 . 0 0 "[ . 1 . 2]" 1
93 1 18 LYS H 1 18 LYS QG 4.000 . 4.750 3.307 2.356 4.020 . 0 0 "[ . 1 . 2]" 1
94 1 18 LYS H 1 18 LYS QE 5.000 . 6.000 5.056 3.760 5.889 . 0 0 "[ . 1 . 2]" 1
95 1 18 LYS HA 1 18 LYS QG 3.000 . 3.500 2.224 2.017 2.534 . 0 0 "[ . 1 . 2]" 1
96 1 18 LYS HA 1 18 LYS QE 4.000 . 4.750 4.396 3.430 4.749 . 0 0 "[ . 1 . 2]" 1
97 1 18 LYS QB 1 18 LYS QD 3.000 . 3.500 2.071 1.931 2.161 . 0 0 "[ . 1 . 2]" 1
98 1 18 LYS QE 1 18 LYS QG 3.000 . 3.500 2.135 1.955 2.427 . 0 0 "[ . 1 . 2]" 1
99 1 19 ARG H 1 19 ARG HB3 4.000 . 4.750 3.358 3.355 3.386 . 0 0 "[ . 1 . 2]" 1
100 1 19 ARG H 1 19 ARG HB2 3.000 . 3.500 2.163 2.147 2.180 . 0 0 "[ . 1 . 2]" 1
101 1 19 ARG H 1 19 ARG HE 5.000 . 6.000 5.405 4.810 5.849 . 0 0 "[ . 1 . 2]" 1
102 1 19 ARG H 1 19 ARG QG 4.000 . 4.750 3.638 3.378 3.864 . 0 0 "[ . 1 . 2]" 1
103 1 19 ARG H 1 19 ARG QD 5.000 . 6.000 3.617 2.809 4.525 . 0 0 "[ . 1 . 2]" 1
104 1 19 ARG HA 1 19 ARG HB3 3.000 . 3.500 2.776 2.757 2.779 . 0 0 "[ . 1 . 2]" 1
105 1 19 ARG HA 1 19 ARG HE 5.000 . 6.000 5.356 4.973 5.557 . 0 0 "[ . 1 . 2]" 1
106 1 19 ARG HB3 1 19 ARG HE 4.000 . 4.750 4.490 3.956 4.735 . 0 0 "[ . 1 . 2]" 1
107 1 19 ARG HB2 1 19 ARG HE 4.000 . 4.750 3.757 3.304 4.196 . 0 0 "[ . 1 . 2]" 1
108 1 19 ARG HE 1 19 ARG QG 3.000 . 3.500 2.782 2.123 2.899 . 0 0 "[ . 1 . 2]" 1
109 1 20 ASN H 1 20 ASN HA 2.500 . 2.800 2.272 2.270 2.275 . 0 0 "[ . 1 . 2]" 1
110 1 20 ASN H 1 20 ASN HD21 5.000 . 6.000 4.427 3.461 5.407 . 0 0 "[ . 1 . 2]" 1
111 1 20 ASN H 1 20 ASN HD22 5.000 . 6.000 4.989 4.132 5.693 . 0 0 "[ . 1 . 2]" 1
112 1 20 ASN HA 1 20 ASN HD22 5.000 . 6.000 3.926 3.364 4.491 . 0 0 "[ . 1 . 2]" 1
113 1 21 LEU H 1 21 LEU HB3 4.000 . 4.750 3.680 3.640 3.774 . 0 0 "[ . 1 . 2]" 1
114 1 21 LEU H 1 21 LEU HB2 3.000 . 3.500 2.498 2.417 2.819 . 0 0 "[ . 1 . 2]" 1
115 1 21 LEU H 1 21 LEU HG 3.000 . 3.500 2.943 2.441 3.086 . 0 0 "[ . 1 . 2]" 1
116 1 21 LEU H 1 21 LEU MD1 5.000 . 6.000 3.873 3.573 4.123 . 0 0 "[ . 1 . 2]" 1
117 1 21 LEU H 1 21 LEU MD2 4.000 . 4.750 3.879 3.119 3.989 . 0 0 "[ . 1 . 2]" 1
118 1 21 LEU HA 1 21 LEU HG 4.000 . 4.750 2.975 2.891 3.415 . 0 0 "[ . 1 . 2]" 1
119 1 21 LEU HA 1 21 LEU MD2 3.000 . 3.500 2.119 1.968 2.525 . 0 0 "[ . 1 . 2]" 1
120 1 21 LEU HB2 1 21 LEU HG 3.000 . 3.500 2.509 2.426 2.606 . 0 0 "[ . 1 . 2]" 1
121 1 22 SER H 1 22 SER HA 3.000 . 3.500 2.853 2.795 2.891 . 0 0 "[ . 1 . 2]" 1
122 1 22 SER H 1 22 SER QB 3.000 . 3.500 2.237 2.085 2.815 . 0 0 "[ . 1 . 2]" 1
123 1 23 VAL H 1 23 VAL HA 3.000 . 3.500 2.940 2.939 2.942 . 0 0 "[ . 1 . 2]" 1
124 1 23 VAL H 1 23 VAL HB 4.000 . 4.750 3.693 3.677 3.710 . 0 0 "[ . 1 . 2]" 1
125 1 23 VAL HA 1 23 VAL HB 3.000 . 3.500 2.502 2.476 2.527 . 0 0 "[ . 1 . 2]" 1
126 1 26 LEU H 1 26 LEU HG 3.000 . 3.500 2.628 1.996 3.260 . 0 0 "[ . 1 . 2]" 1
127 1 26 LEU H 1 26 LEU MD1 4.000 . 4.750 3.144 2.156 3.784 . 0 0 "[ . 1 . 2]" 1
128 1 26 LEU H 1 26 LEU MD2 4.000 . 4.750 3.930 3.512 4.217 . 0 0 "[ . 1 . 2]" 1
129 1 26 LEU H 1 26 LEU QB 3.000 . 3.500 2.335 2.127 2.586 . 0 0 "[ . 1 . 2]" 1
130 1 26 LEU HA 1 26 LEU HG 3.000 . 3.500 2.645 2.343 2.955 . 0 0 "[ . 1 . 2]" 1
131 1 26 LEU HA 1 26 LEU MD1 4.000 . 4.750 3.826 3.301 3.968 . 0 0 "[ . 1 . 2]" 1
132 1 26 LEU HA 1 26 LEU MD2 3.000 . 3.500 2.523 1.981 3.491 . 0 0 "[ . 1 . 2]" 1
133 1 26 LEU QB 1 26 LEU MD1 3.000 . 3.500 2.004 1.931 2.091 . 0 0 "[ . 1 . 2]" 1
134 1 26 LEU QB 1 26 LEU MD2 3.000 . 3.500 2.094 1.974 2.306 . 0 0 "[ . 1 . 2]" 1
135 1 27 LYS H 1 27 LYS QB 3.000 . 3.500 2.139 2.090 2.248 . 0 0 "[ . 1 . 2]" 1
136 1 27 LYS H 1 27 LYS QD 4.000 . 4.750 4.366 4.160 4.622 . 0 0 "[ . 1 . 2]" 1
137 1 27 LYS HA 1 27 LYS QG 3.000 . 3.500 2.289 2.130 2.489 . 0 0 "[ . 1 . 2]" 1
138 1 27 LYS QB 1 27 LYS QD 3.000 . 3.500 2.102 1.947 2.174 . 0 0 "[ . 1 . 2]" 1
139 1 27 LYS QB 1 27 LYS QE 4.000 . 4.750 3.366 2.585 3.636 . 0 0 "[ . 1 . 2]" 1
140 1 27 LYS QE 1 27 LYS QG 3.000 . 3.500 2.117 1.974 2.339 . 0 0 "[ . 1 . 2]" 1
141 1 28 ASN H 1 28 ASN HA 3.000 . 3.500 2.811 2.792 2.828 . 0 0 "[ . 1 . 2]" 1
142 1 28 ASN H 1 28 ASN HD21 5.000 . 6.000 4.652 4.367 4.843 . 0 0 "[ . 1 . 2]" 1
143 1 28 ASN H 1 28 ASN HD22 5.000 . 6.000 5.445 4.605 5.817 . 0 0 "[ . 1 . 2]" 1
144 1 28 ASN H 1 28 ASN QB 3.000 . 3.500 2.237 2.157 2.355 . 0 0 "[ . 1 . 2]" 1
145 1 28 ASN HA 1 28 ASN HD22 5.000 . 6.000 4.321 3.903 4.955 . 0 0 "[ . 1 . 2]" 1
146 1 29 GLU H 1 29 GLU HA 3.000 . 3.500 2.845 2.839 2.848 . 0 0 "[ . 1 . 2]" 1
147 1 29 GLU H 1 29 GLU HB3 4.000 . 4.750 3.441 3.404 3.472 . 0 0 "[ . 1 . 2]" 1
148 1 29 GLU H 1 29 GLU HB2 3.000 . 3.500 2.137 2.111 2.164 . 0 0 "[ . 1 . 2]" 1
149 1 29 GLU H 1 29 GLU QG 3.000 . 3.500 3.061 2.977 3.153 . 0 0 "[ . 1 . 2]" 1
150 1 29 GLU HA 1 29 GLU HB3 3.000 . 3.500 2.718 2.686 2.749 . 0 0 "[ . 1 . 2]" 1
151 1 29 GLU HA 1 29 GLU QG 3.000 . 3.500 2.250 2.049 2.521 . 0 0 "[ . 1 . 2]" 1
152 1 30 LEU H 1 30 LEU HA 3.000 . 3.500 2.826 2.807 2.838 . 0 0 "[ . 1 . 2]" 1
153 1 30 LEU H 1 30 LEU HB3 4.000 . 4.750 3.576 3.555 3.581 . 0 0 "[ . 1 . 2]" 1
154 1 30 LEU H 1 30 LEU HB2 3.000 . 3.500 2.595 2.501 2.802 . 0 0 "[ . 1 . 2]" 1
155 1 30 LEU H 1 30 LEU HG 3.000 . 3.500 2.097 1.954 2.265 . 0 0 "[ . 1 . 2]" 1
156 1 30 LEU H 1 30 LEU MD1 4.000 . 4.750 3.571 3.462 3.759 . 0 0 "[ . 1 . 2]" 1
157 1 30 LEU H 1 30 LEU MD2 4.000 . 4.750 3.110 2.439 3.409 . 0 0 "[ . 1 . 2]" 1
158 1 30 LEU HA 1 30 LEU HB3 3.000 . 3.500 2.416 2.336 2.465 . 0 0 "[ . 1 . 2]" 1
159 1 30 LEU HA 1 30 LEU HG 4.000 . 4.750 3.220 3.038 3.524 . 0 0 "[ . 1 . 2]" 1
160 1 30 LEU HA 1 30 LEU MD2 3.000 . 3.500 1.983 1.935 2.206 . 0 0 "[ . 1 . 2]" 1
161 1 31 VAL H 1 31 VAL HA 3.000 . 3.500 2.814 2.804 2.833 . 0 0 "[ . 1 . 2]" 1
162 1 31 VAL H 1 31 VAL HB 2.500 . 2.800 2.613 2.520 2.676 . 0 0 "[ . 1 . 2]" 1
163 1 32 GLN H 1 32 GLN HA 3.000 . 3.500 2.820 2.815 2.824 . 0 0 "[ . 1 . 2]" 1
164 1 32 GLN H 1 32 GLN QB 3.000 . 3.500 2.278 2.065 2.617 . 0 0 "[ . 1 . 2]" 1
165 1 32 GLN H 1 32 GLN QG 3.000 . 3.500 2.645 1.930 3.206 . 0 0 "[ . 1 . 2]" 1
166 1 32 GLN HA 1 32 GLN HE21 5.000 . 6.000 4.443 3.260 5.138 . 0 0 "[ . 1 . 2]" 1
167 1 32 GLN HA 1 32 GLN HE22 5.000 . 6.000 5.409 3.961 6.004 0.004 2 0 "[ . 1 . 2]" 1
168 1 33 ARG H 1 33 ARG HB3 3.000 . 3.500 2.839 2.621 2.984 . 0 0 "[ . 1 . 2]" 1
169 1 33 ARG H 1 33 ARG HB2 3.000 . 3.500 2.270 2.172 2.451 . 0 0 "[ . 1 . 2]" 1
170 1 33 ARG H 1 33 ARG QG 4.000 . 4.750 3.932 3.794 4.058 . 0 0 "[ . 1 . 2]" 1
171 1 33 ARG H 1 33 ARG QD 5.000 . 6.000 4.342 3.839 4.838 . 0 0 "[ . 1 . 2]" 1
172 1 33 ARG HA 1 33 ARG HB3 3.000 . 3.500 2.993 2.960 3.023 . 0 0 "[ . 1 . 2]" 1
173 1 33 ARG HA 1 33 ARG HB2 3.000 . 3.500 2.625 2.515 2.703 . 0 0 "[ . 1 . 2]" 1
174 1 33 ARG HA 1 33 ARG HE 5.000 . 6.000 4.237 2.700 5.729 . 0 0 "[ . 1 . 2]" 1
175 1 33 ARG HA 1 33 ARG QG 3.000 . 3.500 2.247 2.120 2.611 . 0 0 "[ . 1 . 2]" 1
176 1 33 ARG HB2 1 33 ARG QH 5.000 . 6.000 3.497 1.934 4.339 . 0 0 "[ . 1 . 2]" 1
177 1 34 LEU H 1 34 LEU HA 3.000 . 3.500 2.839 2.837 2.841 . 0 0 "[ . 1 . 2]" 1
178 1 34 LEU H 1 34 LEU HB3 4.000 . 4.750 3.548 3.503 3.582 . 0 0 "[ . 1 . 2]" 1
179 1 34 LEU H 1 34 LEU HB2 3.000 . 3.500 2.300 2.206 2.413 . 0 0 "[ . 1 . 2]" 1
180 1 34 LEU H 1 34 LEU HG 3.000 . 3.500 2.769 2.467 3.014 . 0 0 "[ . 1 . 2]" 1
181 1 34 LEU H 1 34 LEU MD1 4.000 . 4.750 3.203 3.020 3.348 . 0 0 "[ . 1 . 2]" 1
182 1 34 LEU H 1 34 LEU MD2 5.000 . 6.000 4.042 3.849 4.169 . 0 0 "[ . 1 . 2]" 1
183 1 34 LEU HA 1 34 LEU HB3 3.000 . 3.500 2.582 2.511 2.647 . 0 0 "[ . 1 . 2]" 1
184 1 34 LEU HA 1 34 LEU HB2 3.000 . 3.500 3.005 2.985 3.020 . 0 0 "[ . 1 . 2]" 1
185 1 34 LEU HA 1 34 LEU HG 3.000 . 3.500 2.568 2.422 2.736 . 0 0 "[ . 1 . 2]" 1
186 1 34 LEU HA 1 34 LEU MD1 4.000 . 4.750 3.824 3.750 3.887 . 0 0 "[ . 1 . 2]" 1
187 1 34 LEU HA 1 34 LEU MD2 3.000 . 3.500 2.469 2.303 2.706 . 0 0 "[ . 1 . 2]" 1
188 1 34 LEU HB3 1 34 LEU HG 3.000 . 3.500 2.971 2.929 2.987 . 0 0 "[ . 1 . 2]" 1
189 1 34 LEU HB2 1 34 LEU HG 3.000 . 3.500 2.673 2.636 2.753 . 0 0 "[ . 1 . 2]" 1
190 1 34 LEU HB2 1 34 LEU MD1 3.000 . 3.500 2.091 1.999 2.187 . 0 0 "[ . 1 . 2]" 1
191 1 35 ILE H 1 35 ILE HA 3.000 . 3.500 2.825 2.822 2.827 . 0 0 "[ . 1 . 2]" 1
192 1 35 ILE H 1 35 ILE HB 3.000 . 3.500 2.386 2.349 2.411 . 0 0 "[ . 1 . 2]" 1
193 1 35 ILE H 1 35 ILE MD 4.000 . 4.750 3.290 3.212 3.630 . 0 0 "[ . 1 . 2]" 1
194 1 35 ILE HA 1 35 ILE HB 3.000 . 3.500 3.017 3.013 3.019 . 0 0 "[ . 1 . 2]" 1
195 1 35 ILE HA 1 35 ILE MD 4.000 . 4.750 3.836 3.800 3.849 . 0 0 "[ . 1 . 2]" 1
196 1 35 ILE HB 1 35 ILE MD 3.000 . 3.500 2.293 2.200 2.334 . 0 0 "[ . 1 . 2]" 1
197 1 36 LYS H 1 36 LYS HA 3.000 . 3.500 2.827 2.826 2.828 . 0 0 "[ . 1 . 2]" 1
198 1 36 LYS H 1 36 LYS QB 3.000 . 3.500 2.161 2.051 2.324 . 0 0 "[ . 1 . 2]" 1
199 1 36 LYS H 1 36 LYS QG 4.000 . 4.750 3.402 2.560 4.000 . 0 0 "[ . 1 . 2]" 1
200 1 36 LYS HA 1 36 LYS QD 4.000 . 4.750 3.613 2.017 4.127 . 0 0 "[ . 1 . 2]" 1
201 1 36 LYS QB 1 36 LYS QD 3.000 . 3.500 2.108 1.967 2.312 . 0 0 "[ . 1 . 2]" 1
202 1 36 LYS QB 1 36 LYS QE 4.000 . 4.750 3.091 1.937 3.742 . 0 0 "[ . 1 . 2]" 1
203 1 37 ASP H 1 37 ASP HA 3.000 . 3.500 2.811 2.803 2.820 . 0 0 "[ . 1 . 2]" 1
204 1 37 ASP H 1 37 ASP QB 3.000 . 3.500 2.169 2.048 2.250 . 0 0 "[ . 1 . 2]" 1
205 1 38 ASP H 1 38 ASP HA 3.000 . 3.500 2.839 2.819 2.847 . 0 0 "[ . 1 . 2]" 1
206 1 38 ASP H 1 38 ASP HB3 3.000 . 3.500 3.471 3.451 3.487 . 0 0 "[ . 1 . 2]" 1
207 1 38 ASP H 1 38 ASP HB2 3.000 . 3.500 2.161 2.141 2.176 . 0 0 "[ . 1 . 2]" 1
208 1 39 GLU H 1 39 GLU HA 3.000 . 3.500 2.841 2.806 2.848 . 0 0 "[ . 1 . 2]" 1
209 1 39 GLU H 1 39 GLU HB3 3.000 . 3.500 3.478 3.450 3.500 0.000 6 0 "[ . 1 . 2]" 1
210 1 39 GLU H 1 39 GLU HB2 3.000 . 3.500 2.170 2.140 2.198 . 0 0 "[ . 1 . 2]" 1
211 1 39 GLU H 1 39 GLU QG 3.000 . 3.500 2.939 2.792 3.079 . 0 0 "[ . 1 . 2]" 1
212 1 39 GLU HA 1 39 GLU HB3 3.000 . 3.500 2.682 2.656 2.721 . 0 0 "[ . 1 . 2]" 1
213 1 39 GLU HA 1 39 GLU HB2 3.000 . 3.500 2.969 2.950 2.980 . 0 0 "[ . 1 . 2]" 1
214 1 39 GLU HA 1 39 GLU QG 3.000 . 3.500 2.237 2.075 2.342 . 0 0 "[ . 1 . 2]" 1
215 1 40 GLU H 1 40 GLU HA 3.000 . 3.500 2.829 2.825 2.830 . 0 0 "[ . 1 . 2]" 1
216 1 40 GLU H 1 40 GLU QB 3.000 . 3.500 2.147 2.048 2.237 . 0 0 "[ . 1 . 2]" 1
217 1 40 GLU H 1 40 GLU QG 3.000 . 3.500 2.967 2.662 3.368 . 0 0 "[ . 1 . 2]" 1
218 1 40 GLU HA 1 40 GLU QG 3.000 . 3.500 2.239 2.028 2.720 . 0 0 "[ . 1 . 2]" 1
219 1 41 SER H 1 41 SER HA 3.000 . 3.500 2.835 2.812 2.843 . 0 0 "[ . 1 . 2]" 1
220 1 41 SER H 1 41 SER QB 3.000 . 3.500 2.315 2.116 2.723 . 0 0 "[ . 1 . 2]" 1
221 1 42 LYS H 1 42 LYS HA 3.000 . 3.500 2.880 2.838 2.910 . 0 0 "[ . 1 . 2]" 1
222 1 42 LYS H 1 42 LYS QB 3.000 . 3.500 2.266 2.078 2.693 . 0 0 "[ . 1 . 2]" 1
223 1 42 LYS H 1 42 LYS QG 4.000 . 4.750 3.306 1.957 3.995 . 0 0 "[ . 1 . 2]" 1
224 1 42 LYS H 1 42 LYS QD 5.000 . 6.000 4.162 3.383 4.662 . 0 0 "[ . 1 . 2]" 1
225 1 42 LYS QB 1 42 LYS QD 3.000 . 3.500 2.081 1.933 2.276 . 0 0 "[ . 1 . 2]" 1
226 1 42 LYS QB 1 42 LYS QE 4.000 . 4.750 3.096 2.048 3.527 . 0 0 "[ . 1 . 2]" 1
227 1 44 GLU H 1 44 GLU QB 3.000 . 3.500 2.514 2.124 3.165 . 0 0 "[ . 1 . 2]" 1
228 1 44 GLU H 1 44 GLU QG 4.000 . 4.750 3.596 2.365 4.262 . 0 0 "[ . 1 . 2]" 1
229 1 47 VAL H 1 47 VAL HB 4.000 . 4.750 3.361 2.613 3.892 . 0 0 "[ . 1 . 2]" 1
230 1 47 VAL HA 1 47 VAL HB 3.000 . 3.500 2.679 2.454 3.019 . 0 0 "[ . 1 . 2]" 1
231 1 50 GLN H 1 50 GLN QB 3.000 . 3.500 2.564 2.113 3.285 . 0 0 "[ . 1 . 2]" 1
232 1 1 SER HA 1 2 ALA H 4.000 . 4.750 3.014 2.256 3.566 . 0 0 "[ . 1 . 2]" 1
233 1 1 SER QB 1 2 ALA H 5.000 . 6.000 2.840 2.164 4.015 . 0 0 "[ . 1 . 2]" 1
234 1 2 ALA HA 1 3 ASP H 3.000 . 3.500 3.441 3.331 3.493 . 0 0 "[ . 1 . 2]" 1
235 1 2 ALA MB 1 3 ASP H 4.000 . 4.750 2.973 2.813 3.251 . 0 0 "[ . 1 . 2]" 1
236 1 2 ALA MB 1 3 ASP HA 5.000 . 6.000 3.846 3.751 4.036 . 0 0 "[ . 1 . 2]" 1
237 1 3 ASP HA 1 4 TYR H 3.000 . 3.500 3.480 3.397 3.513 0.013 12 0 "[ . 1 . 2]" 1
238 1 3 ASP HA 1 4 TYR QD 5.000 . 6.000 5.741 5.691 5.801 . 0 0 "[ . 1 . 2]" 1
239 1 3 ASP QB 1 4 TYR H 4.000 . 4.750 2.936 2.718 3.528 . 0 0 "[ . 1 . 2]" 1
240 1 4 TYR H 1 5 SER H 3.000 . 3.500 2.822 2.757 2.851 . 0 0 "[ . 1 . 2]" 1
241 1 4 TYR HA 1 5 SER H 4.000 . 4.750 3.555 3.539 3.558 . 0 0 "[ . 1 . 2]" 1
242 1 4 TYR HB3 1 5 SER H 4.000 . 4.750 3.572 3.468 3.760 . 0 0 "[ . 1 . 2]" 1
243 1 4 TYR HB2 1 5 SER H 4.000 . 4.750 2.452 2.415 2.577 . 0 0 "[ . 1 . 2]" 1
244 1 4 TYR QD 1 5 SER H 5.000 . 6.000 4.051 3.926 4.261 . 0 0 "[ . 1 . 2]" 1
245 1 5 SER H 1 6 SER H 4.000 . 4.750 2.679 2.654 2.702 . 0 0 "[ . 1 . 2]" 1
246 1 5 SER HA 1 6 SER H 4.000 . 4.750 3.461 3.450 3.468 . 0 0 "[ . 1 . 2]" 1
247 1 5 SER QB 1 6 SER H 4.000 . 4.750 3.151 2.905 3.621 . 0 0 "[ . 1 . 2]" 1
248 1 6 SER H 1 7 LEU H 3.000 . 3.500 2.428 2.358 2.451 . 0 0 "[ . 1 . 2]" 1
249 1 6 SER H 1 7 LEU HB2 5.000 . 6.000 5.071 4.990 5.135 . 0 0 "[ . 1 . 2]" 1
250 1 6 SER H 1 7 LEU HG 5.000 . 6.000 3.498 3.434 3.536 . 0 0 "[ . 1 . 2]" 1
251 1 6 SER HA 1 7 LEU H 4.000 . 4.750 3.442 3.441 3.444 . 0 0 "[ . 1 . 2]" 1
252 1 6 SER QB 1 7 LEU H 4.000 . 4.750 3.164 3.014 3.640 . 0 0 "[ . 1 . 2]" 1
253 1 7 LEU H 1 8 THR H 4.000 . 4.750 4.605 4.594 4.610 . 0 0 "[ . 1 . 2]" 1
254 1 7 LEU HA 1 8 THR H 3.000 . 3.500 2.333 2.276 2.379 . 0 0 "[ . 1 . 2]" 1
255 1 7 LEU HA 1 8 THR MG 5.000 . 6.000 3.425 3.306 3.512 . 0 0 "[ . 1 . 2]" 1
256 1 7 LEU HB3 1 8 THR H 3.000 . 3.500 2.685 2.572 2.821 . 0 0 "[ . 1 . 2]" 1
257 1 7 LEU HB2 1 8 THR H 3.000 . 3.500 3.404 3.299 3.501 0.001 11 0 "[ . 1 . 2]" 1
258 1 7 LEU MD1 1 8 THR H 5.000 . 6.000 4.618 4.490 4.742 . 0 0 "[ . 1 . 2]" 1
259 1 7 LEU MD2 1 8 THR H 5.000 . 6.000 3.941 3.840 4.009 . 0 0 "[ . 1 . 2]" 1
260 1 8 THR H 1 9 VAL H 4.000 . 4.750 4.591 4.579 4.598 . 0 0 "[ . 1 . 2]" 1
261 1 8 THR HA 1 9 VAL H 3.000 . 3.500 2.485 2.477 2.494 . 0 0 "[ . 1 . 2]" 1
262 1 8 THR HA 1 9 VAL HA 5.000 . 6.000 4.307 4.306 4.310 . 0 0 "[ . 1 . 2]" 1
263 1 8 THR HA 1 9 VAL HB 5.000 . 6.000 5.113 5.087 5.152 . 0 0 "[ . 1 . 2]" 1
264 1 8 THR HB 1 9 VAL H 3.000 . 3.500 2.386 2.352 2.412 . 0 0 "[ . 1 . 2]" 1
265 1 8 THR HB 1 9 VAL HA 5.000 . 6.000 4.918 4.882 4.936 . 0 0 "[ . 1 . 2]" 1
266 1 8 THR HB 1 9 VAL HB 5.000 . 6.000 4.422 4.378 4.449 . 0 0 "[ . 1 . 2]" 1
267 1 8 THR MG 1 9 VAL H 5.000 . 6.000 3.877 3.842 3.897 . 0 0 "[ . 1 . 2]" 1
268 1 9 VAL H 1 10 VAL H 3.000 . 3.500 2.672 2.658 2.684 . 0 0 "[ . 1 . 2]" 1
269 1 9 VAL H 1 10 VAL HA 5.000 . 6.000 5.285 5.274 5.294 . 0 0 "[ . 1 . 2]" 1
270 1 9 VAL H 1 10 VAL HB 5.000 . 6.000 5.013 4.986 5.030 . 0 0 "[ . 1 . 2]" 1
271 1 9 VAL HA 1 10 VAL H 4.000 . 4.750 3.535 3.531 3.540 . 0 0 "[ . 1 . 2]" 1
272 1 9 VAL HB 1 10 VAL H 2.500 . 2.800 2.582 2.545 2.604 . 0 0 "[ . 1 . 2]" 1
273 1 10 VAL H 1 11 GLN H 3.000 . 3.500 2.608 2.602 2.614 . 0 0 "[ . 1 . 2]" 1
274 1 10 VAL H 1 11 GLN HA 5.000 . 6.000 5.231 5.227 5.236 . 0 0 "[ . 1 . 2]" 1
275 1 10 VAL H 1 11 GLN QG 5.000 . 6.000 5.022 4.928 5.204 . 0 0 "[ . 1 . 2]" 1
276 1 10 VAL HA 1 11 GLN H 4.000 . 4.750 3.533 3.528 3.536 . 0 0 "[ . 1 . 2]" 1
277 1 10 VAL HB 1 11 GLN H 3.000 . 3.500 2.613 2.584 2.643 . 0 0 "[ . 1 . 2]" 1
278 1 11 GLN H 1 12 LEU H 3.000 . 3.500 2.646 2.634 2.664 . 0 0 "[ . 1 . 2]" 1
279 1 11 GLN H 1 12 LEU HA 5.000 . 6.000 5.258 5.248 5.272 . 0 0 "[ . 1 . 2]" 1
280 1 11 GLN H 1 12 LEU HB3 5.000 . 6.000 6.013 6.010 6.016 0.016 10 0 "[ . 1 . 2]" 1
281 1 11 GLN H 1 12 LEU HB2 5.000 . 6.000 4.511 4.506 4.516 . 0 0 "[ . 1 . 2]" 1
282 1 11 GLN H 1 12 LEU HG 5.000 . 6.000 5.241 5.126 5.357 . 0 0 "[ . 1 . 2]" 1
283 1 11 GLN HA 1 12 LEU H 4.000 . 4.750 3.549 3.546 3.552 . 0 0 "[ . 1 . 2]" 1
284 1 11 GLN HB3 1 12 LEU H 3.000 . 3.500 3.159 3.075 3.209 . 0 0 "[ . 1 . 2]" 1
285 1 11 GLN HB2 1 12 LEU H 3.000 . 3.500 2.700 2.663 2.761 . 0 0 "[ . 1 . 2]" 1
286 1 11 GLN QG 1 12 LEU H 5.000 . 6.000 4.318 4.296 4.350 . 0 0 "[ . 1 . 2]" 1
287 1 12 LEU H 1 13 LYS H 3.000 . 3.500 2.650 2.622 2.683 . 0 0 "[ . 1 . 2]" 1
288 1 12 LEU HA 1 13 LYS H 4.000 . 4.750 3.526 3.514 3.537 . 0 0 "[ . 1 . 2]" 1
289 1 12 LEU HB3 1 13 LYS H 4.000 . 4.750 3.348 3.266 3.428 . 0 0 "[ . 1 . 2]" 1
290 1 12 LEU HB2 1 13 LYS H 3.000 . 3.500 2.793 2.750 2.850 . 0 0 "[ . 1 . 2]" 1
291 1 12 LEU HG 1 13 LYS H 4.000 . 4.750 4.759 4.755 4.766 0.016 17 0 "[ . 1 . 2]" 1
292 1 12 LEU MD1 1 13 LYS H 5.000 . 6.000 4.550 4.401 4.681 . 0 0 "[ . 1 . 2]" 1
293 1 12 LEU MD2 1 13 LYS H 5.000 . 6.000 4.699 4.613 4.816 . 0 0 "[ . 1 . 2]" 1
294 1 13 LYS H 1 14 ASP H 3.000 . 3.500 2.627 2.585 2.676 . 0 0 "[ . 1 . 2]" 1
295 1 13 LYS H 1 14 ASP QB 5.000 . 6.000 4.377 4.282 4.588 . 0 0 "[ . 1 . 2]" 1
296 1 13 LYS HA 1 14 ASP H 4.000 . 4.750 3.524 3.510 3.542 . 0 0 "[ . 1 . 2]" 1
297 1 13 LYS QB 1 14 ASP H 3.000 . 3.500 2.743 2.628 2.830 . 0 0 "[ . 1 . 2]" 1
298 1 13 LYS QG 1 14 ASP H 4.000 . 4.750 4.417 4.293 4.497 . 0 0 "[ . 1 . 2]" 1
299 1 13 LYS QD 1 14 ASP H 5.000 . 6.000 4.929 4.712 5.204 . 0 0 "[ . 1 . 2]" 1
300 1 14 ASP H 1 15 LEU H 3.000 . 3.500 2.655 2.598 2.699 . 0 0 "[ . 1 . 2]" 1
301 1 14 ASP H 1 15 LEU HB3 5.000 . 6.000 6.010 6.006 6.016 0.016 14 0 "[ . 1 . 2]" 1
302 1 14 ASP H 1 15 LEU MD2 5.000 . 6.000 6.004 6.000 6.007 0.007 11 0 "[ . 1 . 2]" 1
303 1 14 ASP HA 1 15 LEU H 4.000 . 4.750 3.544 3.524 3.550 . 0 0 "[ . 1 . 2]" 1
304 1 14 ASP QB 1 15 LEU H 3.000 . 3.500 2.531 2.412 2.744 . 0 0 "[ . 1 . 2]" 1
305 1 14 ASP QB 1 15 LEU HA 4.000 . 4.750 3.827 3.739 3.983 . 0 0 "[ . 1 . 2]" 1
306 1 15 LEU H 1 16 LEU H 3.000 . 3.500 2.671 2.644 2.725 . 0 0 "[ . 1 . 2]" 1
307 1 15 LEU H 1 16 LEU HA 5.000 . 6.000 5.279 5.257 5.321 . 0 0 "[ . 1 . 2]" 1
308 1 15 LEU H 1 16 LEU HG 5.000 . 6.000 5.223 4.538 5.729 . 0 0 "[ . 1 . 2]" 1
309 1 15 LEU H 1 16 LEU MD1 5.000 . 6.000 4.619 4.308 5.358 . 0 0 "[ . 1 . 2]" 1
310 1 15 LEU HA 1 16 LEU H 3.000 . 3.500 3.525 3.518 3.538 0.038 11 0 "[ . 1 . 2]" 1
311 1 15 LEU HB3 1 16 LEU H 4.000 . 4.750 3.265 3.106 3.359 . 0 0 "[ . 1 . 2]" 1
312 1 15 LEU HB2 1 16 LEU H 3.000 . 3.500 2.792 2.658 2.889 . 0 0 "[ . 1 . 2]" 1
313 1 15 LEU MD1 1 16 LEU H 5.000 . 6.000 4.622 4.440 4.739 . 0 0 "[ . 1 . 2]" 1
314 1 15 LEU MD2 1 16 LEU H 5.000 . 6.000 4.605 4.533 4.659 . 0 0 "[ . 1 . 2]" 1
315 1 16 LEU H 1 17 THR H 3.000 . 3.500 2.652 2.610 2.701 . 0 0 "[ . 1 . 2]" 1
316 1 16 LEU HA 1 17 THR H 4.000 . 4.750 3.541 3.524 3.554 . 0 0 "[ . 1 . 2]" 1
317 1 16 LEU HB3 1 17 THR H 4.000 . 4.750 3.386 3.186 3.621 . 0 0 "[ . 1 . 2]" 1
318 1 16 LEU HB2 1 17 THR H 4.000 . 4.750 2.671 2.538 2.746 . 0 0 "[ . 1 . 2]" 1
319 1 16 LEU HG 1 17 THR H 5.000 . 6.000 4.697 4.431 4.856 . 0 0 "[ . 1 . 2]" 1
320 1 16 LEU MD1 1 17 THR H 5.000 . 6.000 4.265 4.013 4.587 . 0 0 "[ . 1 . 2]" 1
321 1 16 LEU MD2 1 17 THR H 5.000 . 6.000 4.784 4.675 4.892 . 0 0 "[ . 1 . 2]" 1
322 1 17 THR H 1 18 LYS H 3.000 . 3.500 2.700 2.690 2.708 . 0 0 "[ . 1 . 2]" 1
323 1 17 THR HA 1 18 LYS H 3.000 . 3.500 3.529 3.523 3.531 0.031 12 0 "[ . 1 . 2]" 1
324 1 17 THR HB 1 18 LYS H 3.000 . 3.500 2.894 2.493 3.172 . 0 0 "[ . 1 . 2]" 1
325 1 17 THR MG 1 18 LYS H 4.000 . 4.750 3.938 3.446 4.144 . 0 0 "[ . 1 . 2]" 1
326 1 17 THR MG 1 18 LYS HA 5.000 . 6.000 4.689 3.579 5.262 . 0 0 "[ . 1 . 2]" 1
327 1 18 LYS H 1 19 ARG H 3.000 . 3.500 2.531 2.523 2.539 . 0 0 "[ . 1 . 2]" 1
328 1 18 LYS H 1 19 ARG HA 5.000 . 6.000 5.183 5.176 5.190 . 0 0 "[ . 1 . 2]" 1
329 1 18 LYS HA 1 19 ARG H 4.000 . 4.750 3.486 3.475 3.498 . 0 0 "[ . 1 . 2]" 1
330 1 18 LYS QB 1 19 ARG H 4.000 . 4.750 2.874 2.763 2.958 . 0 0 "[ . 1 . 2]" 1
331 1 19 ARG H 1 20 ASN H 3.000 . 3.500 2.391 2.359 2.430 . 0 0 "[ . 1 . 2]" 1
332 1 19 ARG HA 1 20 ASN H 4.000 . 4.750 3.322 3.319 3.324 . 0 0 "[ . 1 . 2]" 1
333 1 19 ARG HB3 1 20 ASN H 5.000 . 6.000 3.839 3.834 3.863 . 0 0 "[ . 1 . 2]" 1
334 1 19 ARG HB2 1 20 ASN H 4.000 . 4.750 3.690 3.662 3.698 . 0 0 "[ . 1 . 2]" 1
335 1 19 ARG QG 1 20 ASN H 5.000 . 6.000 4.729 4.661 4.809 . 0 0 "[ . 1 . 2]" 1
336 1 20 ASN H 1 21 LEU H 3.000 . 3.500 2.671 2.629 2.695 . 0 0 "[ . 1 . 2]" 1
337 1 20 ASN H 1 21 LEU HB2 5.000 . 6.000 4.769 4.676 5.167 . 0 0 "[ . 1 . 2]" 1
338 1 20 ASN H 1 21 LEU MD1 5.000 . 6.000 5.054 4.537 5.426 . 0 0 "[ . 1 . 2]" 1
339 1 20 ASN HA 1 21 LEU H 3.000 . 3.500 2.747 2.744 2.751 . 0 0 "[ . 1 . 2]" 1
340 1 20 ASN QB 1 21 LEU H 5.000 . 6.000 3.885 3.877 3.901 . 0 0 "[ . 1 . 2]" 1
341 1 21 LEU H 1 22 SER H 4.000 . 4.750 4.517 4.487 4.530 . 0 0 "[ . 1 . 2]" 1
342 1 21 LEU HA 1 22 SER H 3.000 . 3.500 2.380 2.254 2.443 . 0 0 "[ . 1 . 2]" 1
343 1 21 LEU HA 1 22 SER QB 5.000 . 6.000 4.308 4.096 4.751 . 0 0 "[ . 1 . 2]" 1
344 1 21 LEU HB3 1 22 SER H 3.000 . 3.500 2.493 2.332 2.860 . 0 0 "[ . 1 . 2]" 1
345 1 21 LEU HB2 1 22 SER H 4.000 . 4.750 3.706 3.479 3.978 . 0 0 "[ . 1 . 2]" 1
346 1 21 LEU HG 1 22 SER H 5.000 . 6.000 4.791 4.693 5.099 . 0 0 "[ . 1 . 2]" 1
347 1 21 LEU MD1 1 22 SER H 5.000 . 6.000 4.481 4.220 4.930 . 0 0 "[ . 1 . 2]" 1
348 1 21 LEU MD2 1 22 SER H 5.000 . 6.000 3.171 2.882 3.935 . 0 0 "[ . 1 . 2]" 1
349 1 22 SER HA 1 23 VAL H 2.500 . 2.800 2.146 2.139 2.167 . 0 0 "[ . 1 . 2]" 1
350 1 22 SER QB 1 23 VAL H 4.000 . 4.750 3.474 3.204 3.791 . 0 0 "[ . 1 . 2]" 1
351 1 23 VAL HA 1 24 GLY H 4.000 . 4.750 3.074 3.072 3.077 . 0 0 "[ . 1 . 2]" 1
352 1 23 VAL HB 1 24 GLY H 5.000 . 6.000 4.387 4.365 4.411 . 0 0 "[ . 1 . 2]" 1
353 1 24 GLY QA 1 25 GLY H 3.000 . 3.500 2.841 2.805 2.935 . 0 0 "[ . 1 . 2]" 1
354 1 25 GLY H 1 26 LEU H 4.000 . 4.750 4.593 4.510 4.623 . 0 0 "[ . 1 . 2]" 1
355 1 25 GLY QA 1 26 LEU H 3.000 . 3.500 2.262 2.247 2.278 . 0 0 "[ . 1 . 2]" 1
356 1 25 GLY QA 1 26 LEU HG 4.000 . 4.750 3.946 3.476 4.524 . 0 0 "[ . 1 . 2]" 1
357 1 26 LEU H 1 27 LYS H 5.000 . 6.000 4.609 4.596 4.628 . 0 0 "[ . 1 . 2]" 1
358 1 26 LEU HA 1 27 LYS H 3.000 . 3.500 2.466 2.391 2.501 . 0 0 "[ . 1 . 2]" 1
359 1 26 LEU MD1 1 27 LYS H 5.000 . 6.000 4.544 4.138 4.732 . 0 0 "[ . 1 . 2]" 1
360 1 26 LEU MD2 1 27 LYS H 5.000 . 6.000 3.088 2.270 3.729 . 0 0 "[ . 1 . 2]" 1
361 1 26 LEU QB 1 27 LYS H 3.000 . 3.500 2.279 2.195 2.477 . 0 0 "[ . 1 . 2]" 1
362 1 27 LYS H 1 28 ASN H 4.000 . 4.750 2.909 2.857 2.972 . 0 0 "[ . 1 . 2]" 1
363 1 27 LYS HA 1 28 ASN H 4.000 . 4.750 3.549 3.535 3.563 . 0 0 "[ . 1 . 2]" 1
364 1 27 LYS QB 1 28 ASN H 3.000 . 3.500 2.472 2.329 2.586 . 0 0 "[ . 1 . 2]" 1
365 1 27 LYS QG 1 28 ASN H 5.000 . 6.000 4.060 3.506 4.297 . 0 0 "[ . 1 . 2]" 1
366 1 27 LYS QD 1 28 ASN H 5.000 . 6.000 4.400 3.297 4.875 . 0 0 "[ . 1 . 2]" 1
367 1 28 ASN H 1 29 GLU H 3.000 . 3.500 2.630 2.586 2.674 . 0 0 "[ . 1 . 2]" 1
368 1 28 ASN H 1 29 GLU HA 5.000 . 6.000 5.248 5.211 5.281 . 0 0 "[ . 1 . 2]" 1
369 1 28 ASN H 1 29 GLU HB3 5.000 . 6.000 5.997 5.971 6.004 0.004 8 0 "[ . 1 . 2]" 1
370 1 28 ASN H 1 29 GLU HB2 5.000 . 6.000 4.505 4.476 4.531 . 0 0 "[ . 1 . 2]" 1
371 1 28 ASN H 1 29 GLU QG 5.000 . 6.000 5.093 4.949 5.226 . 0 0 "[ . 1 . 2]" 1
372 1 28 ASN HA 1 29 GLU H 4.000 . 4.750 3.504 3.498 3.518 . 0 0 "[ . 1 . 2]" 1
373 1 28 ASN HD21 1 29 GLU QG 5.000 . 6.000 3.843 3.115 4.463 . 0 0 "[ . 1 . 2]" 1
374 1 28 ASN HD22 1 29 GLU QG 5.000 . 6.000 4.657 2.294 6.001 0.001 6 0 "[ . 1 . 2]" 1
375 1 28 ASN QB 1 29 GLU H 4.000 . 4.750 2.951 2.665 3.504 . 0 0 "[ . 1 . 2]" 1
376 1 29 GLU H 1 30 LEU H 3.000 . 3.500 2.497 2.491 2.519 . 0 0 "[ . 1 . 2]" 1
377 1 29 GLU H 1 30 LEU HA 5.000 . 6.000 5.137 5.127 5.149 . 0 0 "[ . 1 . 2]" 1
378 1 29 GLU H 1 30 LEU HB3 5.000 . 6.000 6.042 6.030 6.056 0.056 6 0 "[ . 1 . 2]" 1
379 1 29 GLU H 1 30 LEU HB2 5.000 . 6.000 4.813 4.695 5.036 . 0 0 "[ . 1 . 2]" 1
380 1 29 GLU H 1 30 LEU HG 4.000 . 4.750 3.930 3.728 4.089 . 0 0 "[ . 1 . 2]" 1
381 1 29 GLU H 1 30 LEU MD1 5.000 . 6.000 5.037 4.870 5.327 . 0 0 "[ . 1 . 2]" 1
382 1 29 GLU H 1 30 LEU MD2 5.000 . 6.000 4.777 3.905 5.178 . 0 0 "[ . 1 . 2]" 1
383 1 29 GLU HA 1 30 LEU H 3.000 . 3.500 3.501 3.495 3.511 0.011 5 0 "[ . 1 . 2]" 1
384 1 29 GLU HA 1 30 LEU MD2 5.000 . 6.000 5.240 4.629 5.601 . 0 0 "[ . 1 . 2]" 1
385 1 29 GLU HB3 1 30 LEU H 3.000 . 3.500 3.318 3.209 3.376 . 0 0 "[ . 1 . 2]" 1
386 1 29 GLU HB3 1 30 LEU MD2 5.000 . 6.000 3.689 2.924 4.160 . 0 0 "[ . 1 . 2]" 1
387 1 29 GLU HB2 1 30 LEU H 4.000 . 4.750 2.959 2.899 3.024 . 0 0 "[ . 1 . 2]" 1
388 1 29 GLU QG 1 30 LEU H 4.000 . 4.750 4.421 4.383 4.486 . 0 0 "[ . 1 . 2]" 1
389 1 30 LEU H 1 31 VAL H 3.000 . 3.500 2.631 2.531 2.721 . 0 0 "[ . 1 . 2]" 1
390 1 30 LEU H 1 31 VAL HA 5.000 . 6.000 5.243 5.162 5.314 . 0 0 "[ . 1 . 2]" 1
391 1 30 LEU HA 1 31 VAL H 4.000 . 4.750 3.539 3.509 3.554 . 0 0 "[ . 1 . 2]" 1
392 1 30 LEU HB3 1 31 VAL H 4.000 . 4.750 3.681 3.528 3.858 . 0 0 "[ . 1 . 2]" 1
393 1 30 LEU HB2 1 31 VAL H 3.000 . 3.500 2.507 2.413 2.687 . 0 0 "[ . 1 . 2]" 1
394 1 30 LEU HG 1 31 VAL H 4.000 . 4.750 4.072 3.721 4.229 . 0 0 "[ . 1 . 2]" 1
395 1 30 LEU MD1 1 31 VAL H 5.000 . 6.000 4.364 4.222 4.491 . 0 0 "[ . 1 . 2]" 1
396 1 30 LEU MD2 1 31 VAL H 5.000 . 6.000 4.545 4.293 4.641 . 0 0 "[ . 1 . 2]" 1
397 1 31 VAL H 1 32 GLN H 3.000 . 3.500 2.695 2.644 2.749 . 0 0 "[ . 1 . 2]" 1
398 1 31 VAL H 1 32 GLN QG 5.000 . 6.000 4.721 3.685 5.446 . 0 0 "[ . 1 . 2]" 1
399 1 31 VAL HA 1 32 GLN H 3.000 . 3.500 3.541 3.534 3.546 0.046 1 0 "[ . 1 . 2]" 1
400 1 31 VAL HB 1 32 GLN H 2.500 . 2.800 2.451 2.417 2.512 . 0 0 "[ . 1 . 2]" 1
401 1 32 GLN H 1 33 ARG H 2.500 . 2.800 2.627 2.610 2.648 . 0 0 "[ . 1 . 2]" 1
402 1 32 GLN HA 1 33 ARG H 3.000 . 3.500 3.515 3.511 3.521 0.021 19 0 "[ . 1 . 2]" 1
403 1 32 GLN QB 1 33 ARG H 4.000 . 4.750 2.909 2.721 3.498 . 0 0 "[ . 1 . 2]" 1
404 1 32 GLN QG 1 33 ARG H 4.000 . 4.750 3.926 2.167 4.483 . 0 0 "[ . 1 . 2]" 1
405 1 33 ARG H 1 34 LEU H 3.000 . 3.500 2.665 2.645 2.699 . 0 0 "[ . 1 . 2]" 1
406 1 33 ARG H 1 34 LEU HA 5.000 . 6.000 5.281 5.265 5.310 . 0 0 "[ . 1 . 2]" 1
407 1 33 ARG H 1 34 LEU HB2 4.000 . 4.750 4.659 4.556 4.754 0.004 11 0 "[ . 1 . 2]" 1
408 1 33 ARG HA 1 34 LEU H 4.000 . 4.750 3.547 3.546 3.549 . 0 0 "[ . 1 . 2]" 1
409 1 33 ARG HB3 1 34 LEU H 3.000 . 3.500 2.522 2.481 2.582 . 0 0 "[ . 1 . 2]" 1
410 1 33 ARG HB2 1 34 LEU H 4.000 . 4.750 3.558 3.418 3.744 . 0 0 "[ . 1 . 2]" 1
411 1 33 ARG QG 1 34 LEU H 5.000 . 6.000 3.984 3.720 4.167 . 0 0 "[ . 1 . 2]" 1
412 1 34 LEU H 1 35 ILE H 3.000 . 3.500 2.515 2.507 2.529 . 0 0 "[ . 1 . 2]" 1
413 1 34 LEU H 1 35 ILE HA 5.000 . 6.000 5.158 5.150 5.170 . 0 0 "[ . 1 . 2]" 1
414 1 34 LEU H 1 35 ILE MD 5.000 . 6.000 4.706 4.598 5.194 . 0 0 "[ . 1 . 2]" 1
415 1 34 LEU HA 1 35 ILE H 4.000 . 4.750 3.499 3.495 3.508 . 0 0 "[ . 1 . 2]" 1
416 1 34 LEU HB3 1 35 ILE H 4.000 . 4.750 3.537 3.431 3.675 . 0 0 "[ . 1 . 2]" 1
417 1 34 LEU HB2 1 35 ILE H 3.000 . 3.500 2.758 2.655 2.842 . 0 0 "[ . 1 . 2]" 1
418 1 34 LEU MD1 1 35 ILE H 5.000 . 6.000 4.393 4.232 4.525 . 0 0 "[ . 1 . 2]" 1
419 1 34 LEU MD2 1 35 ILE H 5.000 . 6.000 4.843 4.801 4.896 . 0 0 "[ . 1 . 2]" 1
420 1 35 ILE H 1 36 LYS H 3.000 . 3.500 2.639 2.627 2.661 . 0 0 "[ . 1 . 2]" 1
421 1 35 ILE HA 1 36 LYS H 4.000 . 4.750 3.546 3.541 3.553 . 0 0 "[ . 1 . 2]" 1
422 1 35 ILE HB 1 36 LYS H 3.000 . 3.500 2.622 2.549 2.678 . 0 0 "[ . 1 . 2]" 1
423 1 35 ILE MD 1 36 LYS H 5.000 . 6.000 4.442 4.375 4.614 . 0 0 "[ . 1 . 2]" 1
424 1 36 LYS H 1 37 ASP H 3.000 . 3.500 2.663 2.637 2.688 . 0 0 "[ . 1 . 2]" 1
425 1 36 LYS H 1 37 ASP QB 5.000 . 6.000 4.391 4.322 4.430 . 0 0 "[ . 1 . 2]" 1
426 1 36 LYS HA 1 37 ASP H 4.000 . 4.750 3.548 3.538 3.555 . 0 0 "[ . 1 . 2]" 1
427 1 36 LYS QB 1 37 ASP H 3.000 . 3.500 2.540 2.395 2.681 . 0 0 "[ . 1 . 2]" 1
428 1 36 LYS QG 1 37 ASP H 5.000 . 6.000 4.180 3.646 4.421 . 0 0 "[ . 1 . 2]" 1
429 1 36 LYS QD 1 37 ASP H 5.000 . 6.000 4.749 3.407 5.193 . 0 0 "[ . 1 . 2]" 1
430 1 37 ASP H 1 38 ASP H 3.000 . 3.500 2.670 2.623 2.724 . 0 0 "[ . 1 . 2]" 1
431 1 37 ASP H 1 38 ASP HA 5.000 . 6.000 5.280 5.240 5.320 . 0 0 "[ . 1 . 2]" 1
432 1 37 ASP H 1 38 ASP HB2 5.000 . 6.000 4.566 4.521 4.611 . 0 0 "[ . 1 . 2]" 1
433 1 37 ASP HA 1 38 ASP H 4.000 . 4.750 3.530 3.508 3.547 . 0 0 "[ . 1 . 2]" 1
434 1 37 ASP QB 1 38 ASP H 3.000 . 3.500 2.626 2.532 2.828 . 0 0 "[ . 1 . 2]" 1
435 1 38 ASP H 1 39 GLU H 3.000 . 3.500 2.579 2.554 2.639 . 0 0 "[ . 1 . 2]" 1
436 1 38 ASP HA 1 39 GLU H 3.000 . 3.500 3.525 3.523 3.530 0.030 15 0 "[ . 1 . 2]" 1
437 1 38 ASP HB3 1 39 GLU H 4.000 . 4.750 3.262 3.224 3.287 . 0 0 "[ . 1 . 2]" 1
438 1 38 ASP HB2 1 39 GLU H 3.000 . 3.500 2.859 2.811 2.896 . 0 0 "[ . 1 . 2]" 1
439 1 39 GLU H 1 40 GLU H 3.000 . 3.500 2.550 2.524 2.660 . 0 0 "[ . 1 . 2]" 1
440 1 39 GLU HA 1 40 GLU H 3.000 . 3.500 3.512 3.495 3.527 0.027 6 0 "[ . 1 . 2]" 1
441 1 39 GLU HB2 1 40 GLU H 4.000 . 4.750 2.927 2.784 3.077 . 0 0 "[ . 1 . 2]" 1
442 1 39 GLU QG 1 40 GLU H 5.000 . 6.000 4.402 4.325 4.477 . 0 0 "[ . 1 . 2]" 1
443 1 40 GLU HA 1 41 SER H 3.000 . 3.500 3.520 3.518 3.527 0.027 18 0 "[ . 1 . 2]" 1
444 1 40 GLU QB 1 41 SER H 2.500 . 2.800 2.707 2.619 2.754 . 0 0 "[ . 1 . 2]" 1
445 1 41 SER H 1 42 LYS H 3.000 . 3.500 2.561 2.531 2.631 . 0 0 "[ . 1 . 2]" 1
446 1 41 SER HA 1 42 LYS H 3.000 . 3.500 3.501 3.482 3.525 0.025 15 0 "[ . 1 . 2]" 1
447 1 41 SER QB 1 42 LYS H 4.000 . 4.750 2.912 2.622 3.495 . 0 0 "[ . 1 . 2]" 1
448 1 42 LYS H 1 43 GLY H 3.000 . 3.500 2.419 2.274 2.564 . 0 0 "[ . 1 . 2]" 1
449 1 42 LYS HA 1 43 GLY H 3.000 . 3.500 3.431 3.206 3.445 . 0 0 "[ . 1 . 2]" 1
450 1 42 LYS QB 1 43 GLY H 4.000 . 4.750 3.145 3.004 3.941 . 0 0 "[ . 1 . 2]" 1
451 1 42 LYS QG 1 43 GLY H 4.000 . 4.750 4.202 2.342 4.609 . 0 0 "[ . 1 . 2]" 1
452 1 43 GLY QA 1 44 GLU H 3.000 . 3.500 2.275 2.113 2.767 . 0 0 "[ . 1 . 2]" 1
453 1 44 GLU HA 1 45 SER H 3.000 . 3.500 2.605 2.152 3.539 0.039 5 0 "[ . 1 . 2]" 1
454 1 44 GLU QB 1 45 SER H 3.000 . 3.500 2.943 2.101 3.502 0.002 4 0 "[ . 1 . 2]" 1
455 1 44 GLU QG 1 45 SER H 4.000 . 4.750 3.379 1.997 4.458 . 0 0 "[ . 1 . 2]" 1
456 1 45 SER HA 1 46 GLU H 3.000 . 3.500 2.578 2.140 3.535 0.035 8 0 "[ . 1 . 2]" 1
457 1 45 SER QB 1 46 GLU H 4.000 . 4.750 3.159 2.466 3.834 . 0 0 "[ . 1 . 2]" 1
458 1 46 GLU H 1 47 VAL H 4.000 . 4.750 3.810 1.976 4.514 . 0 0 "[ . 1 . 2]" 1
459 1 46 GLU HA 1 47 VAL H 3.000 . 3.500 2.508 2.140 3.538 0.038 12 0 "[ . 1 . 2]" 1
460 1 46 GLU QB 1 47 VAL H 5.000 . 6.000 3.181 1.982 3.851 . 0 0 "[ . 1 . 2]" 1
461 1 46 GLU QG 1 47 VAL H 5.000 . 6.000 3.826 2.598 4.902 . 0 0 "[ . 1 . 2]" 1
462 1 47 VAL H 1 48 SER H 4.000 . 4.750 3.699 1.980 4.597 . 0 0 "[ . 1 . 2]" 1
463 1 47 VAL HA 1 48 SER H 3.000 . 3.500 2.547 2.145 3.526 0.026 16 0 "[ . 1 . 2]" 1
464 1 47 VAL HB 1 48 SER H 5.000 . 6.000 3.560 2.195 4.348 . 0 0 "[ . 1 . 2]" 1
465 1 48 SER HA 1 49 PRO QD 4.000 . 4.750 2.389 1.915 3.529 . 0 0 "[ . 1 . 2]" 1
466 1 49 PRO QG 1 50 GLN H 5.000 . 6.000 4.036 2.003 4.741 . 0 0 "[ . 1 . 2]" 1
467 1 2 ALA HA 1 4 TYR QD 5.000 . 6.000 4.045 3.601 4.305 . 0 0 "[ . 1 . 2]" 1
468 1 2 ALA HA 1 4 TYR QE 5.000 . 6.000 5.651 5.121 5.997 . 0 0 "[ . 1 . 2]" 1
469 1 2 ALA MB 1 4 TYR QE 5.000 . 6.000 6.008 5.999 6.026 0.026 9 0 "[ . 1 . 2]" 1
470 1 3 ASP HA 1 5 SER H 4.000 . 4.750 4.365 4.219 4.440 . 0 0 "[ . 1 . 2]" 1
471 1 3 ASP QB 1 5 SER H 5.000 . 6.000 4.990 4.843 5.283 . 0 0 "[ . 1 . 2]" 1
472 1 4 TYR H 1 6 SER H 5.000 . 6.000 3.989 3.950 4.065 . 0 0 "[ . 1 . 2]" 1
473 1 4 TYR HA 1 6 SER H 5.000 . 6.000 3.922 3.853 3.989 . 0 0 "[ . 1 . 2]" 1
474 1 5 SER H 1 7 LEU H 5.000 . 6.000 4.137 4.096 4.168 . 0 0 "[ . 1 . 2]" 1
475 1 5 SER HA 1 7 LEU H 4.000 . 4.750 3.949 3.907 4.038 . 0 0 "[ . 1 . 2]" 1
476 1 8 THR HA 1 10 VAL H 5.000 . 6.000 4.461 4.436 4.508 . 0 0 "[ . 1 . 2]" 1
477 1 8 THR HB 1 10 VAL H 4.000 . 4.750 3.209 3.145 3.245 . 0 0 "[ . 1 . 2]" 1
478 1 8 THR HB 1 10 VAL HB 5.000 . 6.000 4.338 4.282 4.377 . 0 0 "[ . 1 . 2]" 1
479 1 8 THR MG 1 10 VAL H 5.000 . 6.000 4.393 4.367 4.433 . 0 0 "[ . 1 . 2]" 1
480 1 9 VAL H 1 11 GLN H 5.000 . 6.000 4.078 4.048 4.105 . 0 0 "[ . 1 . 2]" 1
481 1 9 VAL HA 1 11 GLN H 4.000 . 4.750 4.401 4.373 4.426 . 0 0 "[ . 1 . 2]" 1
482 1 10 VAL H 1 12 LEU H 4.000 . 4.750 4.175 4.155 4.193 . 0 0 "[ . 1 . 2]" 1
483 1 10 VAL H 1 12 LEU MD1 5.000 . 6.000 5.506 5.146 5.815 . 0 0 "[ . 1 . 2]" 1
484 1 10 VAL HA 1 12 LEU H 4.000 . 4.750 4.603 4.570 4.639 . 0 0 "[ . 1 . 2]" 1
485 1 11 GLN H 1 13 LYS H 5.000 . 6.000 3.983 3.921 4.049 . 0 0 "[ . 1 . 2]" 1
486 1 11 GLN HA 1 13 LYS H 5.000 . 6.000 4.379 4.286 4.437 . 0 0 "[ . 1 . 2]" 1
487 1 12 LEU H 1 14 ASP H 5.000 . 6.000 4.121 4.037 4.231 . 0 0 "[ . 1 . 2]" 1
488 1 12 LEU HA 1 14 ASP H 5.000 . 6.000 4.323 4.234 4.456 . 0 0 "[ . 1 . 2]" 1
489 1 13 LYS H 1 15 LEU H 5.000 . 6.000 4.227 4.110 4.306 . 0 0 "[ . 1 . 2]" 1
490 1 13 LYS HA 1 15 LEU H 5.000 . 6.000 4.520 4.346 4.609 . 0 0 "[ . 1 . 2]" 1
491 1 14 ASP H 1 16 LEU H 4.000 . 4.750 4.068 3.977 4.230 . 0 0 "[ . 1 . 2]" 1
492 1 14 ASP H 1 16 LEU MD1 5.000 . 6.000 4.767 4.540 5.533 . 0 0 "[ . 1 . 2]" 1
493 1 15 LEU H 1 17 THR H 5.000 . 6.000 4.153 4.009 4.284 . 0 0 "[ . 1 . 2]" 1
494 1 16 LEU H 1 18 LYS H 5.000 . 6.000 4.151 4.105 4.217 . 0 0 "[ . 1 . 2]" 1
495 1 16 LEU HA 1 18 LYS H 4.000 . 4.750 4.394 4.348 4.439 . 0 0 "[ . 1 . 2]" 1
496 1 17 THR H 1 19 ARG H 5.000 . 6.000 3.897 3.865 3.923 . 0 0 "[ . 1 . 2]" 1
497 1 17 THR HA 1 19 ARG H 4.000 . 4.750 4.158 4.093 4.242 . 0 0 "[ . 1 . 2]" 1
498 1 17 THR HB 1 19 ARG H 5.000 . 6.000 4.966 4.746 5.114 . 0 0 "[ . 1 . 2]" 1
499 1 17 THR MG 1 19 ARG H 5.000 . 6.000 5.259 4.919 5.396 . 0 0 "[ . 1 . 2]" 1
500 1 18 LYS H 1 20 ASN H 4.000 . 4.750 3.869 3.840 3.891 . 0 0 "[ . 1 . 2]" 1
501 1 18 LYS HA 1 20 ASN H 4.000 . 4.750 3.856 3.829 3.878 . 0 0 "[ . 1 . 2]" 1
502 1 19 ARG H 1 21 LEU H 4.000 . 4.750 3.856 3.822 3.897 . 0 0 "[ . 1 . 2]" 1
503 1 19 ARG H 1 21 LEU MD1 5.000 . 6.000 4.547 3.913 5.095 . 0 0 "[ . 1 . 2]" 1
504 1 19 ARG H 1 21 LEU MD2 5.000 . 6.000 5.913 4.860 6.002 0.002 20 0 "[ . 1 . 2]" 1
505 1 19 ARG HA 1 21 LEU MD1 5.000 . 6.000 4.746 4.319 5.018 . 0 0 "[ . 1 . 2]" 1
506 1 19 ARG HB3 1 21 LEU MD1 4.000 . 4.750 2.394 2.059 2.649 . 0 0 "[ . 1 . 2]" 1
507 1 19 ARG HB3 1 21 LEU MD2 5.000 . 6.000 3.536 2.398 3.685 . 0 0 "[ . 1 . 2]" 1
508 1 19 ARG HE 1 21 LEU MD1 5.000 . 6.000 4.203 3.652 4.868 . 0 0 "[ . 1 . 2]" 1
509 1 19 ARG QG 1 21 LEU MD1 5.000 . 6.000 3.231 2.688 3.860 . 0 0 "[ . 1 . 2]" 1
510 1 19 ARG QD 1 21 LEU MD1 4.000 . 4.750 3.121 2.059 4.324 . 0 0 "[ . 1 . 2]" 1
511 1 22 SER HA 1 24 GLY H 4.000 . 4.750 3.616 3.562 3.708 . 0 0 "[ . 1 . 2]" 1
512 1 22 SER QB 1 24 GLY H 4.000 . 4.750 2.934 2.514 3.647 . 0 0 "[ . 1 . 2]" 1
513 1 26 LEU H 1 28 ASN H 5.000 . 6.000 5.163 5.012 5.457 . 0 0 "[ . 1 . 2]" 1
514 1 26 LEU HA 1 28 ASN H 5.000 . 6.000 4.544 4.388 4.656 . 0 0 "[ . 1 . 2]" 1
515 1 26 LEU MD1 1 28 ASN H 5.000 . 6.000 4.558 4.281 5.044 . 0 0 "[ . 1 . 2]" 1
516 1 26 LEU MD1 1 28 ASN HD21 5.000 . 6.000 5.810 5.243 6.005 0.005 11 0 "[ . 1 . 2]" 1
517 1 26 LEU MD2 1 28 ASN H 5.000 . 6.000 4.498 4.086 5.048 . 0 0 "[ . 1 . 2]" 1
518 1 26 LEU QB 1 28 ASN H 4.000 . 4.750 2.788 2.592 3.007 . 0 0 "[ . 1 . 2]" 1
519 1 26 LEU QB 1 28 ASN HD21 5.000 . 6.000 5.183 4.587 5.630 . 0 0 "[ . 1 . 2]" 1
520 1 26 LEU QB 1 28 ASN QB 5.000 . 6.000 3.507 3.201 4.030 . 0 0 "[ . 1 . 2]" 1
521 1 27 LYS HA 1 29 GLU H 4.000 . 4.750 4.221 4.147 4.335 . 0 0 "[ . 1 . 2]" 1
522 1 27 LYS QB 1 29 GLU H 5.000 . 6.000 4.538 4.422 4.628 . 0 0 "[ . 1 . 2]" 1
523 1 28 ASN H 1 30 LEU H 5.000 . 6.000 4.080 4.000 4.174 . 0 0 "[ . 1 . 2]" 1
524 1 28 ASN H 1 30 LEU MD1 5.000 . 6.000 5.153 4.898 5.542 . 0 0 "[ . 1 . 2]" 1
525 1 28 ASN HA 1 30 LEU H 5.000 . 6.000 4.259 4.214 4.342 . 0 0 "[ . 1 . 2]" 1
526 1 28 ASN QB 1 30 LEU H 5.000 . 6.000 4.806 4.646 5.097 . 0 0 "[ . 1 . 2]" 1
527 1 29 GLU H 1 31 VAL H 4.000 . 4.750 4.130 3.961 4.225 . 0 0 "[ . 1 . 2]" 1
528 1 29 GLU HB3 1 31 VAL H 5.000 . 6.000 5.449 5.265 5.568 . 0 0 "[ . 1 . 2]" 1
529 1 30 LEU HA 1 32 GLN H 5.000 . 6.000 4.618 4.565 4.690 . 0 0 "[ . 1 . 2]" 1
530 1 31 VAL HA 1 33 ARG H 4.000 . 4.750 4.294 4.242 4.345 . 0 0 "[ . 1 . 2]" 1
531 1 32 GLN H 1 34 LEU H 4.000 . 4.750 4.297 4.279 4.317 . 0 0 "[ . 1 . 2]" 1
532 1 32 GLN QB 1 34 LEU H 5.000 . 6.000 4.925 4.823 5.263 . 0 0 "[ . 1 . 2]" 1
533 1 33 ARG H 1 35 ILE H 4.000 . 4.750 3.882 3.856 3.907 . 0 0 "[ . 1 . 2]" 1
534 1 34 LEU H 1 36 LYS H 5.000 . 6.000 4.131 4.069 4.180 . 0 0 "[ . 1 . 2]" 1
535 1 34 LEU HB2 1 36 LYS H 5.000 . 6.000 5.178 5.092 5.237 . 0 0 "[ . 1 . 2]" 1
536 1 35 ILE H 1 37 ASP H 4.000 . 4.750 4.173 4.094 4.231 . 0 0 "[ . 1 . 2]" 1
537 1 35 ILE HA 1 37 ASP H 5.000 . 6.000 4.624 4.510 4.727 . 0 0 "[ . 1 . 2]" 1
538 1 36 LYS H 1 38 ASP H 4.000 . 4.750 4.071 3.946 4.187 . 0 0 "[ . 1 . 2]" 1
539 1 36 LYS HA 1 38 ASP H 4.000 . 4.750 4.408 4.298 4.514 . 0 0 "[ . 1 . 2]" 1
540 1 36 LYS QB 1 38 ASP H 5.000 . 6.000 4.635 4.534 4.734 . 0 0 "[ . 1 . 2]" 1
541 1 37 ASP H 1 39 GLU H 4.000 . 4.750 4.146 4.103 4.214 . 0 0 "[ . 1 . 2]" 1
542 1 37 ASP HA 1 39 GLU H 4.000 . 4.750 4.501 4.443 4.560 . 0 0 "[ . 1 . 2]" 1
543 1 38 ASP H 1 40 GLU H 4.000 . 4.750 3.981 3.925 4.073 . 0 0 "[ . 1 . 2]" 1
544 1 38 ASP HA 1 40 GLU H 5.000 . 6.000 4.376 4.097 4.555 . 0 0 "[ . 1 . 2]" 1
545 1 38 ASP HB2 1 40 GLU H 5.000 . 6.000 5.107 5.032 5.167 . 0 0 "[ . 1 . 2]" 1
546 1 41 SER H 1 43 GLY H 5.000 . 6.000 3.894 3.734 4.087 . 0 0 "[ . 1 . 2]" 1
547 1 41 SER HA 1 43 GLY H 5.000 . 6.000 4.036 3.670 4.267 . 0 0 "[ . 1 . 2]" 1
548 1 4 TYR HA 1 7 LEU H 4.000 . 4.750 3.357 3.240 3.408 . 0 0 "[ . 1 . 2]" 1
549 1 4 TYR HA 1 7 LEU HB3 5.000 . 6.000 4.624 4.479 4.753 . 0 0 "[ . 1 . 2]" 1
550 1 4 TYR HA 1 7 LEU HG 4.000 . 4.750 2.079 1.976 2.414 . 0 0 "[ . 1 . 2]" 1
551 1 4 TYR HA 1 7 LEU MD1 4.000 . 4.750 2.237 2.113 2.307 . 0 0 "[ . 1 . 2]" 1
552 1 4 TYR HA 1 7 LEU MD2 5.000 . 6.000 3.536 3.420 3.820 . 0 0 "[ . 1 . 2]" 1
553 1 4 TYR HB3 1 7 LEU HG 5.000 . 6.000 4.290 4.169 4.646 . 0 0 "[ . 1 . 2]" 1
554 1 4 TYR HB3 1 7 LEU MD2 5.000 . 6.000 5.528 5.422 5.787 . 0 0 "[ . 1 . 2]" 1
555 1 4 TYR HB2 1 7 LEU HG 5.000 . 6.000 4.876 4.769 5.192 . 0 0 "[ . 1 . 2]" 1
556 1 4 TYR QD 1 7 LEU H 5.000 . 6.000 5.450 5.248 5.576 . 0 0 "[ . 1 . 2]" 1
557 1 4 TYR QD 1 7 LEU HB3 5.000 . 6.000 5.670 5.437 5.845 . 0 0 "[ . 1 . 2]" 1
558 1 4 TYR QD 1 7 LEU HB2 5.000 . 6.000 4.813 4.685 4.953 . 0 0 "[ . 1 . 2]" 1
559 1 4 TYR QD 1 7 LEU HG 5.000 . 6.000 4.013 3.597 4.409 . 0 0 "[ . 1 . 2]" 1
560 1 4 TYR QD 1 7 LEU MD2 5.000 . 6.000 4.642 4.275 4.845 . 0 0 "[ . 1 . 2]" 1
561 1 4 TYR QE 1 7 LEU MD1 5.000 . 6.000 3.858 3.567 4.000 . 0 0 "[ . 1 . 2]" 1
562 1 4 TYR QE 1 7 LEU MD2 5.000 . 6.000 5.751 5.446 5.912 . 0 0 "[ . 1 . 2]" 1
563 1 8 THR H 1 11 GLN HB3 3.000 . 3.500 3.430 3.301 3.500 . 0 0 "[ . 1 . 2]" 1
564 1 8 THR H 1 11 GLN HB2 3.000 . 3.500 2.205 2.115 2.257 . 0 0 "[ . 1 . 2]" 1
565 1 8 THR H 1 11 GLN HE21 5.000 . 6.000 4.895 4.701 5.044 . 0 0 "[ . 1 . 2]" 1
566 1 8 THR H 1 11 GLN QG 5.000 . 6.000 3.644 3.524 3.773 . 0 0 "[ . 1 . 2]" 1
567 1 8 THR HA 1 11 GLN H 5.000 . 6.000 4.540 4.525 4.556 . 0 0 "[ . 1 . 2]" 1
568 1 8 THR HB 1 11 GLN H 5.000 . 6.000 3.833 3.772 3.863 . 0 0 "[ . 1 . 2]" 1
569 1 8 THR MG 1 11 GLN H 5.000 . 6.000 3.873 3.833 3.932 . 0 0 "[ . 1 . 2]" 1
570 1 8 THR MG 1 11 GLN HE21 5.000 . 6.000 4.478 3.591 4.758 . 0 0 "[ . 1 . 2]" 1
571 1 9 VAL H 1 12 LEU MD1 5.000 . 6.000 4.386 4.050 4.708 . 0 0 "[ . 1 . 2]" 1
572 1 9 VAL HA 1 12 LEU H 3.000 . 3.500 3.518 3.514 3.523 0.023 18 0 "[ . 1 . 2]" 1
573 1 9 VAL HA 1 12 LEU HB2 3.000 . 3.500 2.603 2.583 2.632 . 0 0 "[ . 1 . 2]" 1
574 1 9 VAL HA 1 12 LEU MD1 3.000 . 3.500 2.873 2.559 3.211 . 0 0 "[ . 1 . 2]" 1
575 1 9 VAL HA 1 12 LEU MD2 5.000 . 6.000 5.066 4.917 5.178 . 0 0 "[ . 1 . 2]" 1
576 1 10 VAL H 1 13 LYS H 5.000 . 6.000 4.620 4.579 4.672 . 0 0 "[ . 1 . 2]" 1
577 1 10 VAL HA 1 13 LYS H 3.000 . 3.500 3.508 3.503 3.513 0.013 12 0 "[ . 1 . 2]" 1
578 1 10 VAL HA 1 13 LYS QB 3.000 . 3.500 2.496 2.415 2.637 . 0 0 "[ . 1 . 2]" 1
579 1 10 VAL HA 1 13 LYS QD 4.000 . 4.750 3.477 2.711 4.636 . 0 0 "[ . 1 . 2]" 1
580 1 11 GLN H 1 14 ASP H 5.000 . 6.000 4.688 4.645 4.744 . 0 0 "[ . 1 . 2]" 1
581 1 11 GLN HA 1 14 ASP H 4.000 . 4.750 3.464 3.420 3.505 . 0 0 "[ . 1 . 2]" 1
582 1 11 GLN HA 1 14 ASP QB 3.000 . 3.500 2.752 2.555 2.933 . 0 0 "[ . 1 . 2]" 1
583 1 12 LEU H 1 15 LEU H 5.000 . 6.000 4.866 4.784 4.918 . 0 0 "[ . 1 . 2]" 1
584 1 12 LEU H 1 15 LEU MD1 5.000 . 6.000 5.004 4.564 5.253 . 0 0 "[ . 1 . 2]" 1
585 1 12 LEU HA 1 15 LEU H 4.000 . 4.750 3.509 3.402 3.589 . 0 0 "[ . 1 . 2]" 1
586 1 12 LEU HA 1 15 LEU HB3 4.000 . 4.750 4.257 4.120 4.386 . 0 0 "[ . 1 . 2]" 1
587 1 12 LEU HA 1 15 LEU HB2 4.000 . 4.750 2.729 2.584 2.839 . 0 0 "[ . 1 . 2]" 1
588 1 12 LEU HA 1 15 LEU HG 4.000 . 4.750 4.301 3.906 4.542 . 0 0 "[ . 1 . 2]" 1
589 1 12 LEU HA 1 15 LEU MD1 5.000 . 6.000 3.103 2.456 3.380 . 0 0 "[ . 1 . 2]" 1
590 1 12 LEU HA 1 15 LEU MD2 5.000 . 6.000 5.202 4.881 5.380 . 0 0 "[ . 1 . 2]" 1
591 1 12 LEU MD2 1 15 LEU H 5.000 . 6.000 5.037 4.695 5.467 . 0 0 "[ . 1 . 2]" 1
592 1 12 LEU MD2 1 15 LEU MD1 5.000 . 6.000 3.219 2.795 3.724 . 0 0 "[ . 1 . 2]" 1
593 1 13 LYS H 1 16 LEU H 5.000 . 6.000 4.768 4.716 4.861 . 0 0 "[ . 1 . 2]" 1
594 1 13 LYS H 1 16 LEU MD1 5.000 . 6.000 3.835 3.631 4.531 . 0 0 "[ . 1 . 2]" 1
595 1 13 LYS HA 1 16 LEU H 3.000 . 3.500 3.496 3.454 3.508 0.008 14 0 "[ . 1 . 2]" 1
596 1 13 LYS HA 1 16 LEU HB2 3.000 . 3.500 2.592 2.445 2.866 . 0 0 "[ . 1 . 2]" 1
597 1 13 LYS HA 1 16 LEU HG 4.000 . 4.750 4.411 3.488 4.761 0.011 8 0 "[ . 1 . 2]" 1
598 1 13 LYS HA 1 16 LEU MD1 4.000 . 4.750 2.154 1.962 2.675 . 0 0 "[ . 1 . 2]" 1
599 1 13 LYS HA 1 16 LEU MD2 5.000 . 6.000 4.544 4.251 4.872 . 0 0 "[ . 1 . 2]" 1
600 1 14 ASP H 1 17 THR H 5.000 . 6.000 4.692 4.600 4.798 . 0 0 "[ . 1 . 2]" 1
601 1 14 ASP H 1 17 THR MG 5.000 . 6.000 5.602 5.253 6.016 0.016 12 0 "[ . 1 . 2]" 1
602 1 14 ASP HA 1 17 THR H 4.000 . 4.750 3.469 3.362 3.519 . 0 0 "[ . 1 . 2]" 1
603 1 14 ASP HA 1 17 THR MG 5.000 . 6.000 3.746 3.586 3.978 . 0 0 "[ . 1 . 2]" 1
604 1 15 LEU HA 1 18 LYS H 3.000 . 3.500 3.513 3.506 3.519 0.019 12 0 "[ . 1 . 2]" 1
605 1 15 LEU HA 1 18 LYS QB 3.000 . 3.500 2.793 2.648 2.995 . 0 0 "[ . 1 . 2]" 1
606 1 15 LEU HA 1 18 LYS QG 4.000 . 4.750 4.396 3.768 4.753 0.003 20 0 "[ . 1 . 2]" 1
607 1 15 LEU MD2 1 18 LYS H 5.000 . 6.000 4.779 4.690 5.007 . 0 0 "[ . 1 . 2]" 1
608 1 16 LEU H 1 19 ARG H 5.000 . 6.000 4.588 4.552 4.649 . 0 0 "[ . 1 . 2]" 1
609 1 16 LEU HA 1 19 ARG H 4.000 . 4.750 3.229 3.197 3.266 . 0 0 "[ . 1 . 2]" 1
610 1 16 LEU HA 1 19 ARG HB3 3.000 . 3.500 3.515 3.511 3.524 0.024 5 0 "[ . 1 . 2]" 1
611 1 16 LEU HA 1 19 ARG HB2 3.000 . 3.500 2.540 2.453 2.585 . 0 0 "[ . 1 . 2]" 1
612 1 16 LEU HA 1 19 ARG HE 5.000 . 6.000 5.123 4.463 5.639 . 0 0 "[ . 1 . 2]" 1
613 1 16 LEU HA 1 19 ARG QG 4.000 . 4.750 4.491 4.408 4.645 . 0 0 "[ . 1 . 2]" 1
614 1 16 LEU HA 1 19 ARG QD 4.000 . 4.750 3.740 3.391 4.066 . 0 0 "[ . 1 . 2]" 1
615 1 16 LEU MD2 1 19 ARG H 5.000 . 6.000 5.308 4.688 5.552 . 0 0 "[ . 1 . 2]" 1
616 1 17 THR HA 1 20 ASN H 3.000 . 3.500 3.391 3.358 3.440 . 0 0 "[ . 1 . 2]" 1
617 1 17 THR MG 1 20 ASN H 5.000 . 6.000 4.827 4.517 5.017 . 0 0 "[ . 1 . 2]" 1
618 1 26 LEU H 1 29 GLU H 4.000 . 4.750 3.702 3.598 3.862 . 0 0 "[ . 1 . 2]" 1
619 1 26 LEU H 1 29 GLU HA 5.000 . 6.000 5.126 5.028 5.293 . 0 0 "[ . 1 . 2]" 1
620 1 26 LEU H 1 29 GLU HB3 4.000 . 4.750 3.611 3.411 3.847 . 0 0 "[ . 1 . 2]" 1
621 1 26 LEU H 1 29 GLU HB2 3.000 . 3.500 2.325 2.208 2.519 . 0 0 "[ . 1 . 2]" 1
622 1 26 LEU H 1 29 GLU QG 4.000 . 4.750 2.757 2.476 3.101 . 0 0 "[ . 1 . 2]" 1
623 1 26 LEU HA 1 29 GLU H 5.000 . 6.000 4.458 4.428 4.480 . 0 0 "[ . 1 . 2]" 1
624 1 26 LEU MD1 1 29 GLU H 5.000 . 6.000 4.490 4.023 4.835 . 0 0 "[ . 1 . 2]" 1
625 1 26 LEU MD2 1 29 GLU H 5.000 . 6.000 5.227 5.046 5.327 . 0 0 "[ . 1 . 2]" 1
626 1 26 LEU QB 1 29 GLU H 4.000 . 4.750 2.886 2.655 3.035 . 0 0 "[ . 1 . 2]" 1
627 1 26 LEU QB 1 29 GLU HB3 4.000 . 4.750 4.707 4.462 4.754 0.004 19 0 "[ . 1 . 2]" 1
628 1 26 LEU QB 1 29 GLU HB2 4.000 . 4.750 3.103 2.815 3.186 . 0 0 "[ . 1 . 2]" 1
629 1 26 LEU QB 1 29 GLU QG 3.000 . 3.500 3.308 3.134 3.479 . 0 0 "[ . 1 . 2]" 1
630 1 27 LYS H 1 30 LEU MD1 5.000 . 6.000 3.925 3.647 4.323 . 0 0 "[ . 1 . 2]" 1
631 1 27 LYS HA 1 30 LEU H 4.000 . 4.750 3.369 3.309 3.418 . 0 0 "[ . 1 . 2]" 1
632 1 27 LYS HA 1 30 LEU HB2 3.000 . 3.500 2.954 2.724 3.235 . 0 0 "[ . 1 . 2]" 1
633 1 27 LYS HA 1 30 LEU HG 3.000 . 3.500 2.690 1.982 3.099 . 0 0 "[ . 1 . 2]" 1
634 1 27 LYS HA 1 30 LEU MD1 3.000 . 3.500 2.254 1.962 2.717 . 0 0 "[ . 1 . 2]" 1
635 1 27 LYS HA 1 30 LEU MD2 4.000 . 4.750 4.151 3.611 4.392 . 0 0 "[ . 1 . 2]" 1
636 1 27 LYS QG 1 30 LEU MD1 5.000 . 6.000 3.082 2.876 3.600 . 0 0 "[ . 1 . 2]" 1
637 1 28 ASN H 1 31 VAL H 5.000 . 6.000 4.857 4.783 4.959 . 0 0 "[ . 1 . 2]" 1
638 1 28 ASN H 1 31 VAL HB 5.000 . 6.000 5.627 5.447 5.751 . 0 0 "[ . 1 . 2]" 1
639 1 28 ASN HA 1 31 VAL H 4.000 . 4.750 3.468 3.327 3.576 . 0 0 "[ . 1 . 2]" 1
640 1 28 ASN HA 1 31 VAL HB 3.000 . 3.500 3.055 2.843 3.198 . 0 0 "[ . 1 . 2]" 1
641 1 29 GLU H 1 32 GLN H 5.000 . 6.000 4.803 4.761 4.872 . 0 0 "[ . 1 . 2]" 1
642 1 29 GLU H 1 32 GLN QB 5.000 . 6.000 5.052 4.692 5.811 . 0 0 "[ . 1 . 2]" 1
643 1 29 GLU HA 1 32 GLN H 4.000 . 4.750 3.565 3.454 3.738 . 0 0 "[ . 1 . 2]" 1
644 1 29 GLU HA 1 32 GLN QB 4.000 . 4.750 2.878 2.508 3.922 . 0 0 "[ . 1 . 2]" 1
645 1 29 GLU HA 1 32 GLN QG 4.000 . 4.750 3.468 1.905 4.355 . 0 0 "[ . 1 . 2]" 1
646 1 30 LEU HA 1 33 ARG H 3.000 . 3.500 3.507 3.487 3.526 0.026 16 0 "[ . 1 . 2]" 1
647 1 30 LEU HA 1 33 ARG HB3 4.000 . 4.750 3.066 2.747 3.328 . 0 0 "[ . 1 . 2]" 1
648 1 30 LEU HA 1 33 ARG HB2 4.000 . 4.750 2.990 2.779 3.254 . 0 0 "[ . 1 . 2]" 1
649 1 30 LEU HA 1 33 ARG QD 5.000 . 6.000 3.841 3.184 5.233 . 0 0 "[ . 1 . 2]" 1
650 1 30 LEU HA 1 33 ARG QH 5.000 . 6.000 4.782 3.313 5.834 . 0 0 "[ . 1 . 2]" 1
651 1 30 LEU MD2 1 33 ARG HE 5.000 . 6.000 4.951 2.783 5.977 . 0 0 "[ . 1 . 2]" 1
652 1 30 LEU MD2 1 33 ARG QD 5.000 . 6.000 3.882 3.274 5.522 . 0 0 "[ . 1 . 2]" 1
653 1 30 LEU MD2 1 33 ARG QH 5.000 . 6.000 4.207 2.813 5.345 . 0 0 "[ . 1 . 2]" 1
654 1 31 VAL HA 1 34 LEU H 4.000 . 4.750 3.583 3.531 3.629 . 0 0 "[ . 1 . 2]" 1
655 1 31 VAL HA 1 34 LEU HB3 4.000 . 4.750 4.606 4.504 4.754 0.004 6 0 "[ . 1 . 2]" 1
656 1 31 VAL HA 1 34 LEU HB2 4.000 . 4.750 2.978 2.901 3.093 . 0 0 "[ . 1 . 2]" 1
657 1 31 VAL HA 1 34 LEU MD1 4.000 . 4.750 2.791 2.414 3.127 . 0 0 "[ . 1 . 2]" 1
658 1 31 VAL HA 1 34 LEU MD2 5.000 . 6.000 5.172 5.073 5.294 . 0 0 "[ . 1 . 2]" 1
659 1 32 GLN H 1 35 ILE H 5.000 . 6.000 4.632 4.602 4.664 . 0 0 "[ . 1 . 2]" 1
660 1 32 GLN HA 1 35 ILE H 3.000 . 3.500 3.336 3.258 3.403 . 0 0 "[ . 1 . 2]" 1
661 1 32 GLN HA 1 35 ILE HB 2.500 . 2.800 2.229 2.207 2.258 . 0 0 "[ . 1 . 2]" 1
662 1 32 GLN HA 1 35 ILE MD 4.000 . 4.750 2.102 1.959 2.551 . 0 0 "[ . 1 . 2]" 1
663 1 33 ARG H 1 36 LYS H 5.000 . 6.000 4.595 4.531 4.630 . 0 0 "[ . 1 . 2]" 1
664 1 33 ARG HA 1 36 LYS H 3.000 . 3.500 3.507 3.504 3.512 0.012 15 0 "[ . 1 . 2]" 1
665 1 34 LEU H 1 37 ASP H 5.000 . 6.000 4.799 4.745 4.844 . 0 0 "[ . 1 . 2]" 1
666 1 34 LEU HA 1 37 ASP H 4.000 . 4.750 3.576 3.523 3.635 . 0 0 "[ . 1 . 2]" 1
667 1 34 LEU HA 1 37 ASP QB 3.000 . 3.500 2.826 2.615 2.943 . 0 0 "[ . 1 . 2]" 1
668 1 34 LEU HB2 1 37 ASP H 5.000 . 6.000 5.753 5.695 5.813 . 0 0 "[ . 1 . 2]" 1
669 1 34 LEU MD2 1 37 ASP H 5.000 . 6.000 5.428 5.234 5.603 . 0 0 "[ . 1 . 2]" 1
670 1 34 LEU MD2 1 37 ASP QB 5.000 . 6.000 3.885 3.672 4.078 . 0 0 "[ . 1 . 2]" 1
671 1 35 ILE HA 1 38 ASP H 4.000 . 4.750 3.626 3.575 3.682 . 0 0 "[ . 1 . 2]" 1
672 1 35 ILE HA 1 38 ASP HB3 4.000 . 4.750 4.111 3.954 4.279 . 0 0 "[ . 1 . 2]" 1
673 1 35 ILE HA 1 38 ASP HB2 3.000 . 3.500 2.727 2.563 2.834 . 0 0 "[ . 1 . 2]" 1
674 1 36 LYS HA 1 39 GLU H 3.000 . 3.500 3.501 3.478 3.506 0.006 4 0 "[ . 1 . 2]" 1
675 1 37 ASP H 1 40 GLU H 5.000 . 6.000 4.650 4.559 4.915 . 0 0 "[ . 1 . 2]" 1
676 1 37 ASP H 1 40 GLU QB 5.000 . 6.000 4.650 4.497 5.151 . 0 0 "[ . 1 . 2]" 1
677 1 37 ASP HA 1 40 GLU H 4.000 . 4.750 3.555 3.456 3.643 . 0 0 "[ . 1 . 2]" 1
678 1 37 ASP HA 1 40 GLU QB 4.000 . 4.750 2.580 2.469 2.839 . 0 0 "[ . 1 . 2]" 1
679 1 37 ASP HA 1 40 GLU QG 5.000 . 6.000 4.054 3.579 4.385 . 0 0 "[ . 1 . 2]" 1
680 1 38 ASP HA 1 41 SER H 4.000 . 4.750 3.594 3.426 3.656 . 0 0 "[ . 1 . 2]" 1
681 1 39 GLU HA 1 42 LYS H 4.000 . 4.750 3.438 3.358 3.512 . 0 0 "[ . 1 . 2]" 1
682 1 39 GLU HA 1 42 LYS QB 4.000 . 4.750 2.965 2.483 3.991 . 0 0 "[ . 1 . 2]" 1
683 1 39 GLU HA 1 42 LYS QD 4.000 . 4.750 3.639 1.981 4.469 . 0 0 "[ . 1 . 2]" 1
684 1 40 GLU HA 1 43 GLY H 5.000 . 6.000 3.388 3.221 3.570 . 0 0 "[ . 1 . 2]" 1
685 1 7 LEU HA 1 11 GLN H 5.000 . 6.000 5.819 5.678 5.882 . 0 0 "[ . 1 . 2]" 1
686 1 7 LEU HA 1 11 GLN HB2 5.000 . 6.000 3.868 3.731 3.945 . 0 0 "[ . 1 . 2]" 1
687 1 7 LEU HA 1 11 GLN HE21 5.000 . 6.000 5.381 5.147 5.754 . 0 0 "[ . 1 . 2]" 1
688 1 7 LEU HA 1 11 GLN HE22 5.000 . 6.000 4.367 4.197 4.740 . 0 0 "[ . 1 . 2]" 1
689 1 7 LEU HB3 1 11 GLN H 4.000 . 4.750 4.694 4.638 4.735 . 0 0 "[ . 1 . 2]" 1
690 1 7 LEU HB3 1 11 GLN HB2 4.000 . 4.750 2.581 2.495 2.680 . 0 0 "[ . 1 . 2]" 1
691 1 7 LEU MD1 1 11 GLN H 5.000 . 6.000 5.605 5.531 5.678 . 0 0 "[ . 1 . 2]" 1
692 1 7 LEU MD1 1 11 GLN HA 5.000 . 6.000 4.851 4.762 4.941 . 0 0 "[ . 1 . 2]" 1
693 1 7 LEU MD1 1 11 GLN HB2 5.000 . 6.000 4.052 3.917 4.189 . 0 0 "[ . 1 . 2]" 1
694 1 7 LEU MD1 1 11 GLN HE21 5.000 . 6.000 5.105 4.610 5.984 . 0 0 "[ . 1 . 2]" 1
695 1 7 LEU MD2 1 11 GLN HA 5.000 . 6.000 5.930 5.594 6.005 0.005 8 0 "[ . 1 . 2]" 1
696 1 7 LEU MD2 1 11 GLN HB2 5.000 . 6.000 4.396 4.175 4.476 . 0 0 "[ . 1 . 2]" 1
697 1 7 LEU MD2 1 11 GLN HE21 5.000 . 6.000 4.420 3.763 5.379 . 0 0 "[ . 1 . 2]" 1
698 1 7 LEU MD2 1 11 GLN HE22 5.000 . 6.000 3.868 3.413 4.781 . 0 0 "[ . 1 . 2]" 1
699 1 8 THR HA 1 12 LEU MD1 5.000 . 6.000 4.167 3.826 4.469 . 0 0 "[ . 1 . 2]" 1
700 1 9 VAL HA 1 13 LYS H 4.000 . 4.750 3.943 3.869 4.024 . 0 0 "[ . 1 . 2]" 1
701 1 10 VAL HA 1 14 ASP H 4.000 . 4.750 4.162 4.131 4.206 . 0 0 "[ . 1 . 2]" 1
702 1 11 GLN HA 1 15 LEU H 5.000 . 6.000 4.273 4.230 4.342 . 0 0 "[ . 1 . 2]" 1
703 1 12 LEU HA 1 16 LEU H 4.000 . 4.750 4.177 4.069 4.286 . 0 0 "[ . 1 . 2]" 1
704 1 12 LEU MD2 1 16 LEU H 5.000 . 6.000 4.831 4.615 5.111 . 0 0 "[ . 1 . 2]" 1
705 1 13 LYS HA 1 17 THR H 4.000 . 4.750 4.096 3.970 4.276 . 0 0 "[ . 1 . 2]" 1
706 1 14 ASP HA 1 18 LYS H 4.000 . 4.750 4.254 4.094 4.294 . 0 0 "[ . 1 . 2]" 1
707 1 15 LEU HA 1 19 ARG HE 5.000 . 6.000 5.202 4.089 6.000 . 0 0 "[ . 1 . 2]" 1
708 1 15 LEU HB3 1 19 ARG HE 5.000 . 6.000 3.640 3.027 4.230 . 0 0 "[ . 1 . 2]" 1
709 1 15 LEU HB2 1 19 ARG HE 5.000 . 6.000 5.356 4.723 5.964 . 0 0 "[ . 1 . 2]" 1
710 1 15 LEU MD1 1 19 ARG HE 5.000 . 6.000 4.100 3.372 4.696 . 0 0 "[ . 1 . 2]" 1
711 1 15 LEU MD2 1 19 ARG HE 5.000 . 6.000 3.314 2.134 4.050 . 0 0 "[ . 1 . 2]" 1
712 1 16 LEU HA 1 20 ASN H 4.000 . 4.750 4.367 4.336 4.390 . 0 0 "[ . 1 . 2]" 1
713 1 17 THR HA 1 21 LEU H 4.000 . 4.750 3.665 3.538 3.772 . 0 0 "[ . 1 . 2]" 1
714 1 25 GLY QA 1 29 GLU HB3 5.000 . 6.000 2.375 2.195 2.765 . 0 0 "[ . 1 . 2]" 1
715 1 25 GLY QA 1 29 GLU HB2 4.000 . 4.750 2.614 2.493 2.960 . 0 0 "[ . 1 . 2]" 1
716 1 26 LEU H 1 30 LEU H 5.000 . 6.000 4.810 4.617 4.982 . 0 0 "[ . 1 . 2]" 1
717 1 26 LEU H 1 30 LEU MD1 5.000 . 6.000 5.548 5.333 5.827 . 0 0 "[ . 1 . 2]" 1
718 1 26 LEU H 1 30 LEU MD2 5.000 . 6.000 4.727 3.832 5.165 . 0 0 "[ . 1 . 2]" 1
719 1 26 LEU HA 1 30 LEU MD1 5.000 . 6.000 4.253 4.008 4.612 . 0 0 "[ . 1 . 2]" 1
720 1 27 LYS HA 1 31 VAL H 4.000 . 4.750 4.269 4.116 4.383 . 0 0 "[ . 1 . 2]" 1
721 1 27 LYS QG 1 31 VAL H 5.000 . 6.000 4.463 4.107 5.025 . 0 0 "[ . 1 . 2]" 1
722 1 28 ASN HA 1 32 GLN H 4.000 . 4.750 4.092 3.952 4.180 . 0 0 "[ . 1 . 2]" 1
723 1 28 ASN HD21 1 32 GLN QB 5.000 . 6.000 3.793 3.289 4.116 . 0 0 "[ . 1 . 2]" 1
724 1 28 ASN HD21 1 32 GLN QG 5.000 . 6.000 3.092 2.334 3.899 . 0 0 "[ . 1 . 2]" 1
725 1 28 ASN HD22 1 32 GLN QB 5.000 . 6.000 4.562 3.714 5.398 . 0 0 "[ . 1 . 2]" 1
726 1 28 ASN HD22 1 32 GLN QG 5.000 . 6.000 3.677 2.482 5.170 . 0 0 "[ . 1 . 2]" 1
727 1 28 ASN QB 1 32 GLN H 5.000 . 6.000 5.068 4.831 5.241 . 0 0 "[ . 1 . 2]" 1
728 1 30 LEU HA 1 34 LEU H 5.000 . 6.000 4.174 4.065 4.251 . 0 0 "[ . 1 . 2]" 1
729 1 31 VAL HA 1 35 ILE H 4.000 . 4.750 4.136 4.001 4.280 . 0 0 "[ . 1 . 2]" 1
730 1 31 VAL HA 1 35 ILE HB 5.000 . 6.000 5.423 5.227 5.650 . 0 0 "[ . 1 . 2]" 1
731 1 32 GLN HA 1 36 LYS H 4.000 . 4.750 3.835 3.756 3.897 . 0 0 "[ . 1 . 2]" 1
732 1 32 GLN QG 1 36 LYS H 5.000 . 6.000 5.408 4.920 5.896 . 0 0 "[ . 1 . 2]" 1
733 1 33 ARG HA 1 37 ASP H 4.000 . 4.750 4.055 3.923 4.141 . 0 0 "[ . 1 . 2]" 1
734 1 34 LEU HA 1 38 ASP H 4.000 . 4.750 4.003 3.946 4.085 . 0 0 "[ . 1 . 2]" 1
735 1 34 LEU MD2 1 38 ASP H 5.000 . 6.000 5.100 4.882 5.342 . 0 0 "[ . 1 . 2]" 1
736 1 35 ILE HA 1 39 GLU H 4.000 . 4.750 4.008 3.885 4.185 . 0 0 "[ . 1 . 2]" 1
737 1 36 LYS QE 1 40 GLU QG 5.000 . 6.000 4.771 2.854 5.769 . 0 0 "[ . 1 . 2]" 1
738 1 39 GLU HA 1 43 GLY H 5.000 . 6.000 4.397 3.864 5.058 . 0 0 "[ . 1 . 2]" 1
739 1 4 TYR H 1 12 LEU MD2 5.000 . 6.000 4.601 4.416 4.793 . 0 0 "[ . 1 . 2]" 1
740 1 4 TYR HA 1 12 LEU MD2 5.000 . 6.000 2.708 2.316 3.092 . 0 0 "[ . 1 . 2]" 1
741 1 4 TYR HB3 1 12 LEU MD1 4.000 . 4.750 3.561 3.071 3.790 . 0 0 "[ . 1 . 2]" 1
742 1 4 TYR HB3 1 12 LEU MD2 3.000 . 3.500 1.861 1.822 1.957 . 0 0 "[ . 1 . 2]" 1
743 1 4 TYR HB2 1 12 LEU MD2 5.000 . 6.000 3.215 3.085 3.487 . 0 0 "[ . 1 . 2]" 1
744 1 4 TYR QD 1 12 LEU HA 5.000 . 6.000 4.442 4.255 4.678 . 0 0 "[ . 1 . 2]" 1
745 1 4 TYR QD 1 12 LEU MD1 5.000 . 6.000 4.922 4.655 5.072 . 0 0 "[ . 1 . 2]" 1
746 1 4 TYR QD 1 12 LEU MD2 5.000 . 6.000 2.728 2.494 3.008 . 0 0 "[ . 1 . 2]" 1
747 1 4 TYR QE 1 12 LEU HA 5.000 . 6.000 5.991 5.785 6.011 0.011 17 0 "[ . 1 . 2]" 1
748 1 4 TYR QE 1 12 LEU MD2 5.000 . 6.000 4.476 4.242 4.638 . 0 0 "[ . 1 . 2]" 1
749 1 4 TYR QD 1 15 LEU MD1 4.000 . 4.750 2.443 2.219 2.745 . 0 0 "[ . 1 . 2]" 1
750 1 4 TYR QD 1 15 LEU MD2 5.000 . 6.000 4.630 4.178 5.030 . 0 0 "[ . 1 . 2]" 1
751 1 4 TYR QE 1 15 LEU HB3 5.000 . 6.000 4.042 3.706 4.255 . 0 0 "[ . 1 . 2]" 1
752 1 4 TYR QE 1 15 LEU HG 5.000 . 6.000 5.240 4.946 5.430 . 0 0 "[ . 1 . 2]" 1
753 1 4 TYR QE 1 15 LEU MD1 3.000 . 3.500 2.334 2.031 2.552 . 0 0 "[ . 1 . 2]" 1
754 1 4 TYR QE 1 15 LEU MD2 4.000 . 4.750 3.591 3.159 4.036 . 0 0 "[ . 1 . 2]" 1
755 1 4 TYR QD 1 19 ARG HE 5.000 . 6.000 5.556 5.279 5.998 . 0 0 "[ . 1 . 2]" 1
756 1 4 TYR HB2 1 31 VAL H 5.000 . 6.000 5.496 5.234 5.887 . 0 0 "[ . 1 . 2]" 1
757 1 4 TYR HB2 1 31 VAL HB 4.000 . 4.750 4.603 4.463 4.751 0.001 5 0 "[ . 1 . 2]" 1
758 1 4 TYR QD 1 31 VAL HB 5.000 . 6.000 5.648 5.264 5.876 . 0 0 "[ . 1 . 2]" 1
759 1 4 TYR QD 1 32 GLN HA 5.000 . 6.000 5.845 5.582 6.001 0.001 14 0 "[ . 1 . 2]" 1
760 1 4 TYR H 1 34 LEU MD1 5.000 . 6.000 5.076 4.911 5.380 . 0 0 "[ . 1 . 2]" 1
761 1 4 TYR HA 1 34 LEU MD1 5.000 . 6.000 3.944 3.742 4.124 . 0 0 "[ . 1 . 2]" 1
762 1 4 TYR HB2 1 34 LEU MD1 5.000 . 6.000 3.668 3.434 4.003 . 0 0 "[ . 1 . 2]" 1
763 1 4 TYR QD 1 34 LEU H 5.000 . 6.000 5.175 4.931 5.364 . 0 0 "[ . 1 . 2]" 1
764 1 4 TYR QD 1 34 LEU HB3 5.000 . 6.000 3.477 3.254 3.753 . 0 0 "[ . 1 . 2]" 1
765 1 4 TYR QD 1 34 LEU HB2 5.000 . 6.000 3.408 3.011 3.668 . 0 0 "[ . 1 . 2]" 1
766 1 4 TYR QD 1 34 LEU MD1 5.000 . 6.000 2.447 2.057 2.717 . 0 0 "[ . 1 . 2]" 1
767 1 4 TYR QD 1 34 LEU MD2 5.000 . 6.000 3.417 2.818 3.949 . 0 0 "[ . 1 . 2]" 1
768 1 4 TYR QE 1 34 LEU H 5.000 . 6.000 5.597 5.150 5.830 . 0 0 "[ . 1 . 2]" 1
769 1 4 TYR QE 1 34 LEU HA 5.000 . 6.000 4.848 4.479 5.148 . 0 0 "[ . 1 . 2]" 1
770 1 4 TYR QE 1 34 LEU HB3 4.000 . 4.750 3.006 2.691 3.229 . 0 0 "[ . 1 . 2]" 1
771 1 4 TYR QE 1 34 LEU HB2 4.000 . 4.750 3.865 3.226 4.184 . 0 0 "[ . 1 . 2]" 1
772 1 4 TYR QE 1 34 LEU MD1 4.000 . 4.750 3.284 2.950 3.672 . 0 0 "[ . 1 . 2]" 1
773 1 4 TYR QE 1 34 LEU MD2 5.000 . 6.000 2.587 2.035 3.150 . 0 0 "[ . 1 . 2]" 1
774 1 4 TYR H 1 35 ILE MD 5.000 . 6.000 4.926 4.662 5.224 . 0 0 "[ . 1 . 2]" 1
775 1 4 TYR HB2 1 35 ILE MD 5.000 . 6.000 3.654 3.374 3.894 . 0 0 "[ . 1 . 2]" 1
776 1 4 TYR QD 1 35 ILE H 4.000 . 4.750 4.133 3.714 4.372 . 0 0 "[ . 1 . 2]" 1
777 1 4 TYR QD 1 35 ILE HA 4.000 . 4.750 3.943 3.642 4.351 . 0 0 "[ . 1 . 2]" 1
778 1 4 TYR QD 1 35 ILE HB 5.000 . 6.000 4.975 4.609 5.209 . 0 0 "[ . 1 . 2]" 1
779 1 4 TYR QD 1 35 ILE MD 4.000 . 4.750 3.314 3.174 3.462 . 0 0 "[ . 1 . 2]" 1
780 1 4 TYR QE 1 35 ILE H 4.000 . 4.750 4.385 3.920 4.698 . 0 0 "[ . 1 . 2]" 1
781 1 4 TYR QE 1 35 ILE HA 3.000 . 3.500 3.061 2.680 3.318 . 0 0 "[ . 1 . 2]" 1
782 1 4 TYR QE 1 35 ILE HB 5.000 . 6.000 5.424 5.084 5.654 . 0 0 "[ . 1 . 2]" 1
783 1 4 TYR QE 1 35 ILE MD 4.000 . 4.750 4.690 4.285 4.755 0.005 10 0 "[ . 1 . 2]" 1
784 1 4 TYR QE 1 38 ASP H 5.000 . 6.000 5.070 4.668 5.404 . 0 0 "[ . 1 . 2]" 1
785 1 5 SER H 1 12 LEU MD2 5.000 . 6.000 4.233 3.983 4.533 . 0 0 "[ . 1 . 2]" 1
786 1 5 SER HA 1 12 LEU MD1 5.000 . 6.000 3.048 2.876 3.469 . 0 0 "[ . 1 . 2]" 1
787 1 5 SER HA 1 12 LEU MD2 5.000 . 6.000 3.970 3.543 4.357 . 0 0 "[ . 1 . 2]" 1
788 1 5 SER HA 1 27 LYS QE 4.000 . 4.750 3.768 2.390 4.560 . 0 0 "[ . 1 . 2]" 1
789 1 7 LEU H 1 12 LEU MD2 5.000 . 6.000 4.231 3.954 4.636 . 0 0 "[ . 1 . 2]" 1
790 1 7 LEU HB3 1 12 LEU MD2 5.000 . 6.000 4.516 4.231 4.843 . 0 0 "[ . 1 . 2]" 1
791 1 7 LEU HB2 1 12 LEU H 3.000 . 3.500 3.513 3.508 3.517 0.017 11 0 "[ . 1 . 2]" 1
792 1 7 LEU HB2 1 12 LEU MD2 5.000 . 6.000 3.215 2.916 3.543 . 0 0 "[ . 1 . 2]" 1
793 1 7 LEU MD1 1 12 LEU H 5.000 . 6.000 4.239 4.169 4.290 . 0 0 "[ . 1 . 2]" 1
794 1 7 LEU MD1 1 12 LEU HA 5.000 . 6.000 3.158 3.090 3.266 . 0 0 "[ . 1 . 2]" 1
795 1 7 LEU MD1 1 12 LEU MD2 5.000 . 6.000 2.647 2.194 3.086 . 0 0 "[ . 1 . 2]" 1
796 1 7 LEU H 1 27 LYS QE 5.000 . 6.000 4.869 4.437 5.705 . 0 0 "[ . 1 . 2]" 1
797 1 8 THR HA 1 27 LYS QE 5.000 . 6.000 3.365 2.655 4.274 . 0 0 "[ . 1 . 2]" 1
798 1 9 VAL H 1 27 LYS QE 5.000 . 6.000 3.770 2.458 4.923 . 0 0 "[ . 1 . 2]" 1
799 1 9 VAL HA 1 27 LYS QE 5.000 . 6.000 3.726 2.531 4.994 . 0 0 "[ . 1 . 2]" 1
800 1 9 VAL H 1 30 LEU MD1 5.000 . 6.000 5.644 5.472 5.834 . 0 0 "[ . 1 . 2]" 1
801 1 9 VAL HA 1 30 LEU MD1 3.000 . 3.500 3.328 3.097 3.493 . 0 0 "[ . 1 . 2]" 1
802 1 10 VAL H 1 30 LEU MD1 5.000 . 6.000 5.848 5.543 5.963 . 0 0 "[ . 1 . 2]" 1
803 1 12 LEU MD1 1 27 LYS H 5.000 . 6.000 5.511 5.201 5.752 . 0 0 "[ . 1 . 2]" 1
804 1 12 LEU MD1 1 27 LYS QG 4.000 . 4.750 2.180 1.866 2.390 . 0 0 "[ . 1 . 2]" 1
805 1 12 LEU MD1 1 27 LYS QE 4.000 . 4.750 2.480 2.198 3.452 . 0 0 "[ . 1 . 2]" 1
806 1 12 LEU MD1 1 28 ASN H 5.000 . 6.000 5.430 5.107 5.738 . 0 0 "[ . 1 . 2]" 1
807 1 12 LEU H 1 30 LEU MD1 5.000 . 6.000 4.665 4.346 4.855 . 0 0 "[ . 1 . 2]" 1
808 1 12 LEU HA 1 30 LEU MD1 5.000 . 6.000 4.715 4.355 4.930 . 0 0 "[ . 1 . 2]" 1
809 1 12 LEU HB3 1 30 LEU H 5.000 . 6.000 5.700 5.278 5.906 . 0 0 "[ . 1 . 2]" 1
810 1 12 LEU HB3 1 30 LEU MD2 5.000 . 6.000 4.118 3.819 4.587 . 0 0 "[ . 1 . 2]" 1
811 1 12 LEU HB2 1 30 LEU MD1 5.000 . 6.000 2.891 2.685 3.107 . 0 0 "[ . 1 . 2]" 1
812 1 12 LEU HB2 1 30 LEU MD2 5.000 . 6.000 5.087 4.780 5.526 . 0 0 "[ . 1 . 2]" 1
813 1 12 LEU MD1 1 30 LEU H 5.000 . 6.000 4.657 4.209 5.180 . 0 0 "[ . 1 . 2]" 1
814 1 12 LEU MD1 1 30 LEU HB3 5.000 . 6.000 3.570 3.212 4.097 . 0 0 "[ . 1 . 2]" 1
815 1 12 LEU MD1 1 30 LEU HB2 5.000 . 6.000 2.676 2.109 3.290 . 0 0 "[ . 1 . 2]" 1
816 1 12 LEU HB3 1 31 VAL H 5.000 . 6.000 5.181 4.705 5.433 . 0 0 "[ . 1 . 2]" 1
817 1 12 LEU MD1 1 31 VAL H 4.000 . 4.750 3.593 2.991 4.075 . 0 0 "[ . 1 . 2]" 1
818 1 12 LEU MD1 1 31 VAL HA 4.000 . 4.750 3.853 3.589 4.210 . 0 0 "[ . 1 . 2]" 1
819 1 12 LEU MD2 1 31 VAL H 5.000 . 6.000 3.642 3.271 4.009 . 0 0 "[ . 1 . 2]" 1
820 1 12 LEU MD2 1 31 VAL HA 3.000 . 3.500 2.672 2.372 2.958 . 0 0 "[ . 1 . 2]" 1
821 1 12 LEU H 1 34 LEU MD1 5.000 . 6.000 5.478 5.337 5.691 . 0 0 "[ . 1 . 2]" 1
822 1 12 LEU HA 1 34 LEU MD1 5.000 . 6.000 3.274 3.099 3.505 . 0 0 "[ . 1 . 2]" 1
823 1 12 LEU HA 1 34 LEU MD2 5.000 . 6.000 4.843 4.597 5.286 . 0 0 "[ . 1 . 2]" 1
824 1 12 LEU HB3 1 34 LEU MD1 5.000 . 6.000 3.453 3.334 3.672 . 0 0 "[ . 1 . 2]" 1
825 1 12 LEU HB2 1 34 LEU MD1 5.000 . 6.000 4.724 4.600 4.954 . 0 0 "[ . 1 . 2]" 1
826 1 12 LEU HG 1 34 LEU MD1 5.000 . 6.000 4.113 3.872 4.355 . 0 0 "[ . 1 . 2]" 1
827 1 12 LEU MD1 1 34 LEU MD1 5.000 . 6.000 3.885 3.589 4.122 . 0 0 "[ . 1 . 2]" 1
828 1 12 LEU MD2 1 34 LEU H 5.000 . 6.000 4.717 4.467 4.963 . 0 0 "[ . 1 . 2]" 1
829 1 12 LEU MD2 1 34 LEU HG 5.000 . 6.000 4.117 3.942 4.259 . 0 0 "[ . 1 . 2]" 1
830 1 12 LEU MD2 1 34 LEU MD1 5.000 . 6.000 1.942 1.825 2.064 . 0 0 "[ . 1 . 2]" 1
831 1 12 LEU MD2 1 34 LEU MD2 5.000 . 6.000 3.837 3.588 4.124 . 0 0 "[ . 1 . 2]" 1
832 1 13 LYS HA 1 23 VAL HB 4.000 . 4.750 3.585 3.387 3.994 . 0 0 "[ . 1 . 2]" 1
833 1 13 LYS QB 1 23 VAL HB 4.000 . 4.750 4.124 3.833 4.420 . 0 0 "[ . 1 . 2]" 1
834 1 13 LYS QG 1 23 VAL HB 4.000 . 4.750 2.166 1.965 2.607 . 0 0 "[ . 1 . 2]" 1
835 1 13 LYS QD 1 23 VAL HB 5.000 . 6.000 3.275 1.982 4.505 . 0 0 "[ . 1 . 2]" 1
836 1 13 LYS QE 1 23 VAL HB 4.000 . 4.750 3.230 2.316 4.526 . 0 0 "[ . 1 . 2]" 1
837 1 13 LYS H 1 30 LEU MD1 5.000 . 6.000 3.713 3.213 3.900 . 0 0 "[ . 1 . 2]" 1
838 1 13 LYS H 1 30 LEU MD2 5.000 . 6.000 5.240 4.784 5.906 . 0 0 "[ . 1 . 2]" 1
839 1 13 LYS HA 1 30 LEU MD1 5.000 . 6.000 3.387 3.033 3.704 . 0 0 "[ . 1 . 2]" 1
840 1 13 LYS HA 1 30 LEU MD2 5.000 . 6.000 3.802 3.295 4.517 . 0 0 "[ . 1 . 2]" 1
841 1 13 LYS QB 1 30 LEU MD1 4.000 . 4.750 3.991 3.491 4.230 . 0 0 "[ . 1 . 2]" 1
842 1 13 LYS QB 1 30 LEU MD2 5.000 . 6.000 4.975 4.542 5.601 . 0 0 "[ . 1 . 2]" 1
843 1 13 LYS QG 1 30 LEU MD1 4.000 . 4.750 2.661 2.281 3.739 . 0 0 "[ . 1 . 2]" 1
844 1 13 LYS QG 1 30 LEU MD2 4.000 . 4.750 3.340 2.868 3.958 . 0 0 "[ . 1 . 2]" 1
845 1 13 LYS QE 1 30 LEU MD1 5.000 . 6.000 3.656 2.352 4.751 . 0 0 "[ . 1 . 2]" 1
846 1 13 LYS QE 1 30 LEU MD2 5.000 . 6.000 4.417 3.122 5.588 . 0 0 "[ . 1 . 2]" 1
847 1 15 LEU H 1 34 LEU MD1 5.000 . 6.000 4.767 4.486 5.090 . 0 0 "[ . 1 . 2]" 1
848 1 15 LEU H 1 34 LEU MD2 5.000 . 6.000 5.134 4.785 5.552 . 0 0 "[ . 1 . 2]" 1
849 1 15 LEU HA 1 34 LEU MD1 5.000 . 6.000 5.205 4.914 5.517 . 0 0 "[ . 1 . 2]" 1
850 1 15 LEU HA 1 34 LEU MD2 5.000 . 6.000 4.500 4.073 4.763 . 0 0 "[ . 1 . 2]" 1
851 1 15 LEU HB3 1 34 LEU MD1 5.000 . 6.000 3.006 2.658 3.291 . 0 0 "[ . 1 . 2]" 1
852 1 15 LEU HB3 1 34 LEU MD2 5.000 . 6.000 2.437 2.049 2.858 . 0 0 "[ . 1 . 2]" 1
853 1 15 LEU HB2 1 34 LEU MD1 5.000 . 6.000 3.094 2.651 3.506 . 0 0 "[ . 1 . 2]" 1
854 1 15 LEU HB2 1 34 LEU MD2 5.000 . 6.000 3.510 3.161 4.039 . 0 0 "[ . 1 . 2]" 1
855 1 15 LEU HG 1 34 LEU MD1 5.000 . 6.000 4.881 4.473 5.177 . 0 0 "[ . 1 . 2]" 1
856 1 15 LEU HG 1 34 LEU MD2 5.000 . 6.000 4.868 4.411 5.286 . 0 0 "[ . 1 . 2]" 1
857 1 15 LEU MD1 1 34 LEU MD1 5.000 . 6.000 2.885 2.463 3.175 . 0 0 "[ . 1 . 2]" 1
858 1 15 LEU MD1 1 34 LEU MD2 5.000 . 6.000 2.957 2.164 3.442 . 0 0 "[ . 1 . 2]" 1
859 1 15 LEU MD2 1 34 LEU MD1 5.000 . 6.000 4.338 4.008 4.621 . 0 0 "[ . 1 . 2]" 1
860 1 15 LEU MD2 1 34 LEU MD2 5.000 . 6.000 3.466 3.082 3.824 . 0 0 "[ . 1 . 2]" 1
861 1 16 LEU H 1 21 LEU MD1 5.000 . 6.000 4.994 4.465 5.554 . 0 0 "[ . 1 . 2]" 1
862 1 16 LEU HA 1 21 LEU H 4.000 . 4.750 3.470 3.412 3.522 . 0 0 "[ . 1 . 2]" 1
863 1 16 LEU HA 1 21 LEU HB2 4.000 . 4.750 2.681 2.565 2.936 . 0 0 "[ . 1 . 2]" 1
864 1 16 LEU HA 1 21 LEU MD1 5.000 . 6.000 2.750 2.097 3.402 . 0 0 "[ . 1 . 2]" 1
865 1 16 LEU HA 1 21 LEU MD2 5.000 . 6.000 4.939 4.388 5.162 . 0 0 "[ . 1 . 2]" 1
866 1 16 LEU HB3 1 21 LEU H 4.000 . 4.750 3.320 3.211 3.421 . 0 0 "[ . 1 . 2]" 1
867 1 16 LEU HB3 1 21 LEU MD1 5.000 . 6.000 4.012 3.482 4.327 . 0 0 "[ . 1 . 2]" 1
868 1 16 LEU HB2 1 21 LEU H 5.000 . 6.000 4.766 4.558 4.919 . 0 0 "[ . 1 . 2]" 1
869 1 16 LEU MD1 1 21 LEU MD1 5.000 . 6.000 4.122 3.827 4.352 . 0 0 "[ . 1 . 2]" 1
870 1 16 LEU MD2 1 21 LEU H 5.000 . 6.000 3.723 3.474 4.015 . 0 0 "[ . 1 . 2]" 1
871 1 16 LEU MD2 1 21 LEU HB3 5.000 . 6.000 2.145 1.971 2.767 . 0 0 "[ . 1 . 2]" 1
872 1 16 LEU MD2 1 21 LEU HB2 5.000 . 6.000 1.881 1.834 1.933 . 0 0 "[ . 1 . 2]" 1
873 1 16 LEU MD2 1 21 LEU MD1 5.000 . 6.000 2.105 1.818 2.661 . 0 0 "[ . 1 . 2]" 1
874 1 16 LEU HB3 1 22 SER H 5.000 . 6.000 4.958 4.754 5.176 . 0 0 "[ . 1 . 2]" 1
875 1 16 LEU MD2 1 22 SER H 4.000 . 4.750 3.561 3.139 4.271 . 0 0 "[ . 1 . 2]" 1
876 1 16 LEU HB3 1 23 VAL HA 4.000 . 4.750 4.181 3.883 4.485 . 0 0 "[ . 1 . 2]" 1
877 1 16 LEU MD1 1 23 VAL HA 4.000 . 4.750 2.912 2.150 3.252 . 0 0 "[ . 1 . 2]" 1
878 1 16 LEU MD1 1 23 VAL HB 5.000 . 6.000 3.568 3.215 3.860 . 0 0 "[ . 1 . 2]" 1
879 1 16 LEU HB2 1 30 LEU MD2 5.000 . 6.000 4.137 3.729 4.776 . 0 0 "[ . 1 . 2]" 1
880 1 16 LEU MD1 1 30 LEU H 5.000 . 6.000 4.557 4.161 4.725 . 0 0 "[ . 1 . 2]" 1
881 1 16 LEU MD1 1 30 LEU HA 5.000 . 6.000 2.753 2.195 3.101 . 0 0 "[ . 1 . 2]" 1
882 1 16 LEU MD1 1 30 LEU HB3 5.000 . 6.000 1.899 1.825 2.140 . 0 0 "[ . 1 . 2]" 1
883 1 16 LEU MD1 1 30 LEU HB2 5.000 . 6.000 3.347 3.188 3.580 . 0 0 "[ . 1 . 2]" 1
884 1 16 LEU MD1 1 30 LEU MD1 5.000 . 6.000 2.566 2.192 2.926 . 0 0 "[ . 1 . 2]" 1
885 1 16 LEU MD1 1 30 LEU MD2 5.000 . 6.000 1.841 1.785 1.935 0.015 17 0 "[ . 1 . 2]" 1
886 1 16 LEU MD2 1 30 LEU HA 5.000 . 6.000 2.844 2.585 3.169 . 0 0 "[ . 1 . 2]" 1
887 1 16 LEU MD1 1 33 ARG H 5.000 . 6.000 5.421 5.126 5.772 . 0 0 "[ . 1 . 2]" 1
888 1 16 LEU MD1 1 33 ARG QD 5.000 . 6.000 4.428 3.213 6.002 0.002 17 0 "[ . 1 . 2]" 1
889 1 16 LEU MD1 1 33 ARG QH 5.000 . 6.000 5.334 4.415 5.982 . 0 0 "[ . 1 . 2]" 1
890 1 16 LEU MD2 1 33 ARG H 5.000 . 6.000 4.700 4.287 5.069 . 0 0 "[ . 1 . 2]" 1
891 1 16 LEU MD2 1 33 ARG HE 5.000 . 6.000 4.368 3.098 5.259 . 0 0 "[ . 1 . 2]" 1
892 1 16 LEU MD2 1 33 ARG QG 5.000 . 6.000 2.965 2.515 3.580 . 0 0 "[ . 1 . 2]" 1
893 1 16 LEU MD2 1 33 ARG QD 4.000 . 4.750 2.946 2.098 4.614 . 0 0 "[ . 1 . 2]" 1
894 1 16 LEU MD2 1 33 ARG QH 5.000 . 6.000 4.217 3.535 4.801 . 0 0 "[ . 1 . 2]" 1
895 1 16 LEU H 1 34 LEU MD1 5.000 . 6.000 3.837 3.606 4.223 . 0 0 "[ . 1 . 2]" 1
896 1 16 LEU H 1 34 LEU MD2 5.000 . 6.000 3.944 3.726 4.143 . 0 0 "[ . 1 . 2]" 1
897 1 16 LEU HA 1 34 LEU MD2 5.000 . 6.000 3.088 2.557 3.349 . 0 0 "[ . 1 . 2]" 1
898 1 16 LEU HB2 1 34 LEU MD2 5.000 . 6.000 4.957 4.593 5.261 . 0 0 "[ . 1 . 2]" 1
899 1 16 LEU HG 1 34 LEU H 5.000 . 6.000 5.148 4.825 5.714 . 0 0 "[ . 1 . 2]" 1
900 1 16 LEU HG 1 34 LEU MD1 5.000 . 6.000 2.640 2.096 2.998 . 0 0 "[ . 1 . 2]" 1
901 1 16 LEU HG 1 34 LEU MD2 5.000 . 6.000 3.045 2.740 3.544 . 0 0 "[ . 1 . 2]" 1
902 1 16 LEU MD1 1 34 LEU H 5.000 . 6.000 4.829 4.526 5.264 . 0 0 "[ . 1 . 2]" 1
903 1 16 LEU MD1 1 34 LEU HG 5.000 . 6.000 3.702 3.298 4.290 . 0 0 "[ . 1 . 2]" 1
904 1 16 LEU MD1 1 34 LEU MD2 5.000 . 6.000 4.005 3.631 4.641 . 0 0 "[ . 1 . 2]" 1
905 1 16 LEU MD2 1 34 LEU H 5.000 . 6.000 3.924 3.298 4.406 . 0 0 "[ . 1 . 2]" 1
906 1 16 LEU MD2 1 34 LEU HA 5.000 . 6.000 4.274 3.711 4.856 . 0 0 "[ . 1 . 2]" 1
907 1 16 LEU MD2 1 34 LEU HG 4.000 . 4.750 2.800 2.079 3.616 . 0 0 "[ . 1 . 2]" 1
908 1 16 LEU MD2 1 34 LEU MD1 5.000 . 6.000 3.259 2.710 3.979 . 0 0 "[ . 1 . 2]" 1
909 1 16 LEU MD2 1 34 LEU MD2 5.000 . 6.000 3.425 2.258 4.320 . 0 0 "[ . 1 . 2]" 1
910 1 17 THR H 1 34 LEU MD2 5.000 . 6.000 5.694 5.461 5.857 . 0 0 "[ . 1 . 2]" 1
911 1 18 LYS H 1 34 LEU MD2 5.000 . 6.000 5.915 5.643 6.002 0.002 1 0 "[ . 1 . 2]" 1
912 1 19 ARG H 1 34 LEU MD2 5.000 . 6.000 4.763 4.558 4.912 . 0 0 "[ . 1 . 2]" 1
913 1 19 ARG HB3 1 34 LEU MD2 5.000 . 6.000 3.801 3.420 4.282 . 0 0 "[ . 1 . 2]" 1
914 1 19 ARG HE 1 34 LEU MD2 5.000 . 6.000 2.231 1.952 3.100 . 0 0 "[ . 1 . 2]" 1
915 1 19 ARG QD 1 34 LEU MD2 4.000 . 4.750 2.501 1.844 3.505 . 0 0 "[ . 1 . 2]" 1
916 1 21 LEU HA 1 33 ARG QD 5.000 . 6.000 4.329 3.576 5.614 . 0 0 "[ . 1 . 2]" 1
917 1 21 LEU HB3 1 33 ARG QD 4.000 . 4.750 2.896 1.947 4.352 . 0 0 "[ . 1 . 2]" 1
918 1 21 LEU HB2 1 33 ARG QD 5.000 . 6.000 4.262 2.852 5.871 . 0 0 "[ . 1 . 2]" 1
919 1 21 LEU MD1 1 33 ARG H 5.000 . 6.000 5.307 4.979 5.875 . 0 0 "[ . 1 . 2]" 1
920 1 21 LEU MD1 1 33 ARG HB3 5.000 . 6.000 3.035 2.531 3.820 . 0 0 "[ . 1 . 2]" 1
921 1 21 LEU MD1 1 33 ARG QG 4.000 . 4.750 2.482 1.841 3.018 . 0 0 "[ . 1 . 2]" 1
922 1 21 LEU MD1 1 33 ARG QD 5.000 . 6.000 3.674 3.058 4.601 . 0 0 "[ . 1 . 2]" 1
923 1 21 LEU MD2 1 33 ARG QG 5.000 . 6.000 2.543 2.011 3.252 . 0 0 "[ . 1 . 2]" 1
924 1 21 LEU MD2 1 33 ARG QD 5.000 . 6.000 3.220 2.495 4.201 . 0 0 "[ . 1 . 2]" 1
925 1 21 LEU MD1 1 34 LEU H 5.000 . 6.000 3.859 3.568 4.266 . 0 0 "[ . 1 . 2]" 1
926 1 21 LEU MD1 1 34 LEU HA 5.000 . 6.000 2.714 2.340 3.179 . 0 0 "[ . 1 . 2]" 1
927 1 21 LEU MD1 1 34 LEU HG 5.000 . 6.000 2.720 2.516 3.176 . 0 0 "[ . 1 . 2]" 1
928 1 21 LEU MD1 1 34 LEU MD2 5.000 . 6.000 2.499 1.915 2.980 . 0 0 "[ . 1 . 2]" 1
929 1 21 LEU MD2 1 34 LEU MD2 5.000 . 6.000 4.686 4.175 5.161 . 0 0 "[ . 1 . 2]" 1
930 1 21 LEU MD1 1 37 ASP H 5.000 . 6.000 4.290 4.064 4.698 . 0 0 "[ . 1 . 2]" 1
931 1 21 LEU MD1 1 37 ASP HA 5.000 . 6.000 5.019 4.698 5.301 . 0 0 "[ . 1 . 2]" 1
932 1 21 LEU MD1 1 37 ASP QB 4.000 . 4.750 2.660 2.364 2.987 . 0 0 "[ . 1 . 2]" 1
933 1 21 LEU MD2 1 37 ASP H 5.000 . 6.000 4.774 4.366 5.368 . 0 0 "[ . 1 . 2]" 1
934 1 21 LEU MD2 1 37 ASP QB 5.000 . 6.000 3.058 2.490 3.791 . 0 0 "[ . 1 . 2]" 1
935 1 21 LEU MD1 1 38 ASP H 5.000 . 6.000 5.151 4.844 5.550 . 0 0 "[ . 1 . 2]" 1
936 1 22 SER H 1 33 ARG QD 4.000 . 4.750 2.935 1.974 4.111 . 0 0 "[ . 1 . 2]" 1
937 1 22 SER QB 1 33 ARG QD 4.000 . 4.750 3.047 2.162 3.827 . 0 0 "[ . 1 . 2]" 1
938 1 22 SER QB 1 33 ARG QH 5.000 . 6.000 2.258 1.799 3.373 0.001 19 0 "[ . 1 . 2]" 1
939 1 23 VAL H 1 30 LEU MD2 5.000 . 6.000 4.413 4.208 5.200 . 0 0 "[ . 1 . 2]" 1
940 1 23 VAL HA 1 30 LEU MD1 5.000 . 6.000 3.747 3.564 4.084 . 0 0 "[ . 1 . 2]" 1
941 1 23 VAL HA 1 30 LEU MD2 4.000 . 4.750 2.030 1.863 2.857 . 0 0 "[ . 1 . 2]" 1
942 1 23 VAL HB 1 30 LEU MD1 5.000 . 6.000 3.656 3.009 4.416 . 0 0 "[ . 1 . 2]" 1
943 1 23 VAL HB 1 30 LEU MD2 5.000 . 6.000 3.063 2.636 4.146 . 0 0 "[ . 1 . 2]" 1
944 1 23 VAL HA 1 33 ARG QH 5.000 . 6.000 5.003 3.530 6.001 0.001 12 0 "[ . 1 . 2]" 1
945 1 24 GLY H 1 30 LEU MD2 5.000 . 6.000 3.912 3.571 4.366 . 0 0 "[ . 1 . 2]" 1
946 1 24 GLY H 1 33 ARG QH 5.000 . 6.000 4.377 3.010 5.885 . 0 0 "[ . 1 . 2]" 1
947 1 25 GLY H 1 30 LEU MD1 5.000 . 6.000 5.069 4.461 5.408 . 0 0 "[ . 1 . 2]" 1
948 1 25 GLY H 1 30 LEU MD2 5.000 . 6.000 2.977 2.528 3.272 . 0 0 "[ . 1 . 2]" 1
949 1 25 GLY QA 1 30 LEU MD2 5.000 . 6.000 3.379 2.833 3.774 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 229
_Distance_constraint_stats_list.Viol_total 80.538
_Distance_constraint_stats_list.Viol_max 0.071
_Distance_constraint_stats_list.Viol_rms 0.0134
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0176
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 4 TYR 0.000 0.000 12 0 "[ . 1 . 2]"
1 7 LEU 0.000 0.000 12 0 "[ . 1 . 2]"
1 8 THR 0.554 0.032 11 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.081 0.009 10 0 "[ . 1 . 2]"
1 11 GLN 0.650 0.032 11 0 "[ . 1 . 2]"
1 12 LEU 0.069 0.009 16 0 "[ . 1 . 2]"
1 13 LYS 0.012 0.005 5 0 "[ . 1 . 2]"
1 14 ASP 0.222 0.011 17 0 "[ . 1 . 2]"
1 15 LEU 0.192 0.014 12 0 "[ . 1 . 2]"
1 16 LEU 2.552 0.071 15 0 "[ . 1 . 2]"
1 17 THR 0.012 0.005 5 0 "[ . 1 . 2]"
1 18 LYS 0.141 0.011 17 0 "[ . 1 . 2]"
1 19 ARG 0.057 0.007 11 0 "[ . 1 . 2]"
1 20 ASN 2.522 0.071 15 0 "[ . 1 . 2]"
1 21 LEU 0.002 0.002 12 0 "[ . 1 . 2]"
1 26 LEU 0.011 0.003 15 0 "[ . 1 . 2]"
1 27 LYS 0.102 0.011 4 0 "[ . 1 . 2]"
1 28 ASN 0.266 0.027 6 0 "[ . 1 . 2]"
1 29 GLU 0.021 0.005 2 0 "[ . 1 . 2]"
1 30 LEU 0.078 0.011 5 0 "[ . 1 . 2]"
1 31 VAL 0.102 0.011 4 0 "[ . 1 . 2]"
1 32 GLN 0.279 0.027 6 0 "[ . 1 . 2]"
1 33 ARG 0.017 0.005 16 0 "[ . 1 . 2]"
1 34 LEU 0.078 0.011 5 0 "[ . 1 . 2]"
1 35 ILE 0.008 0.006 12 0 "[ . 1 . 2]"
1 36 LYS 0.013 0.006 6 0 "[ . 1 . 2]"
1 37 ASP 0.007 0.005 16 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLU 0.008 0.006 12 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 4 TYR O 1 7 LEU H 1.950 . 2.100 1.997 1.938 2.100 0.000 12 0 "[ . 1 . 2]" 2
2 1 4 TYR O 1 7 LEU N 2.900 2.700 3.100 2.839 2.773 2.914 . 0 0 "[ . 1 . 2]" 2
3 1 8 THR H 1 11 GLN OE1 1.950 . 2.100 1.909 1.799 2.037 0.001 5 0 "[ . 1 . 2]" 2
4 1 8 THR N 1 11 GLN OE1 2.900 2.700 3.100 2.884 2.768 3.015 . 0 0 "[ . 1 . 2]" 2
5 1 8 THR OG1 1 11 GLN H 1.950 . 2.100 2.126 2.120 2.132 0.032 11 0 "[ . 1 . 2]" 2
6 1 8 THR OG1 1 11 GLN N 2.900 2.700 3.100 3.062 3.050 3.073 . 0 0 "[ . 1 . 2]" 2
7 1 8 THR O 1 12 LEU H 1.950 . 2.100 1.802 1.791 1.833 0.009 16 0 "[ . 1 . 2]" 2
8 1 8 THR O 1 12 LEU N 2.900 2.700 3.100 2.766 2.750 2.795 . 0 0 "[ . 1 . 2]" 2
9 1 9 VAL O 1 13 LYS H 1.950 . 2.100 1.931 1.877 1.997 . 0 0 "[ . 1 . 2]" 2
10 1 9 VAL O 1 13 LYS N 2.900 2.700 3.100 2.827 2.773 2.889 . 0 0 "[ . 1 . 2]" 2
11 1 10 VAL O 1 14 ASP H 1.950 . 2.100 2.103 2.092 2.109 0.009 10 0 "[ . 1 . 2]" 2
12 1 10 VAL O 1 14 ASP N 2.900 2.700 3.100 2.972 2.929 3.018 . 0 0 "[ . 1 . 2]" 2
13 1 11 GLN O 1 15 LEU H 1.950 . 2.100 2.107 2.103 2.114 0.014 12 0 "[ . 1 . 2]" 2
14 1 11 GLN O 1 15 LEU N 2.900 2.700 3.100 3.056 3.020 3.073 . 0 0 "[ . 1 . 2]" 2
15 1 12 LEU O 1 16 LEU H 1.950 . 2.100 2.078 1.981 2.108 0.008 11 0 "[ . 1 . 2]" 2
16 1 12 LEU O 1 16 LEU N 2.900 2.700 3.100 2.998 2.926 3.053 . 0 0 "[ . 1 . 2]" 2
17 1 13 LYS O 1 17 THR H 1.950 . 2.100 2.023 1.897 2.105 0.005 5 0 "[ . 1 . 2]" 2
18 1 13 LYS O 1 17 THR N 2.900 2.700 3.100 2.938 2.793 3.040 . 0 0 "[ . 1 . 2]" 2
19 1 14 ASP O 1 18 LYS H 1.950 . 2.100 2.105 2.054 2.111 0.011 17 0 "[ . 1 . 2]" 2
20 1 14 ASP O 1 18 LYS N 2.900 2.700 3.100 3.038 2.974 3.055 . 0 0 "[ . 1 . 2]" 2
21 1 15 LEU O 1 19 ARG H 1.950 . 2.100 2.094 2.062 2.107 0.007 11 0 "[ . 1 . 2]" 2
22 1 15 LEU O 1 19 ARG N 2.900 2.700 3.100 2.878 2.816 2.950 . 0 0 "[ . 1 . 2]" 2
23 1 16 LEU O 1 20 ASN H 1.950 . 2.100 2.165 2.160 2.171 0.071 15 0 "[ . 1 . 2]" 2
24 1 16 LEU O 1 20 ASN N 2.900 2.700 3.100 2.639 2.632 2.643 0.068 20 0 "[ . 1 . 2]" 2
25 1 16 LEU O 1 21 LEU H 1.950 . 2.100 1.866 1.798 1.929 0.002 12 0 "[ . 1 . 2]" 2
26 1 16 LEU O 1 21 LEU N 2.900 2.700 3.100 2.834 2.760 2.895 . 0 0 "[ . 1 . 2]" 2
27 1 26 LEU O 1 29 GLU H 1.950 . 2.100 2.063 1.965 2.103 0.003 15 0 "[ . 1 . 2]" 2
28 1 26 LEU O 1 30 LEU N 2.900 2.700 3.100 2.868 2.757 3.020 . 0 0 "[ . 1 . 2]" 2
29 1 27 LYS O 1 31 VAL H 1.950 . 2.100 2.097 2.039 2.111 0.011 4 0 "[ . 1 . 2]" 2
30 1 27 LYS O 1 31 VAL N 2.900 2.700 3.100 3.032 2.986 3.071 . 0 0 "[ . 1 . 2]" 2
31 1 28 ASN O 1 32 GLN H 1.950 . 2.100 2.113 2.101 2.127 0.027 6 0 "[ . 1 . 2]" 2
32 1 28 ASN O 1 32 GLN N 2.900 2.700 3.100 3.064 3.048 3.091 . 0 0 "[ . 1 . 2]" 2
33 1 29 GLU O 1 33 ARG H 1.950 . 2.100 2.035 1.905 2.105 0.005 2 0 "[ . 1 . 2]" 2
34 1 29 GLU O 1 33 ARG N 2.900 2.700 3.100 2.879 2.747 2.983 . 0 0 "[ . 1 . 2]" 2
35 1 30 LEU O 1 34 LEU H 1.950 . 2.100 2.096 2.037 2.111 0.011 5 0 "[ . 1 . 2]" 2
36 1 30 LEU O 1 34 LEU N 2.900 2.700 3.100 3.035 2.978 3.050 . 0 0 "[ . 1 . 2]" 2
37 1 31 VAL O 1 35 ILE H 1.950 . 2.100 1.962 1.878 2.054 . 0 0 "[ . 1 . 2]" 2
38 1 31 VAL O 1 35 ILE N 2.900 2.700 3.100 2.853 2.783 2.939 . 0 0 "[ . 1 . 2]" 2
39 1 32 GLN O 1 36 LYS H 1.950 . 2.100 1.844 1.794 1.924 0.006 6 0 "[ . 1 . 2]" 2
40 1 32 GLN O 1 36 LYS N 2.900 2.700 3.100 2.758 2.706 2.825 . 0 0 "[ . 1 . 2]" 2
41 1 33 ARG O 1 37 ASP H 1.950 . 2.100 2.053 1.978 2.105 0.005 16 0 "[ . 1 . 2]" 2
42 1 33 ARG O 1 37 ASP N 2.900 2.700 3.100 3.007 2.942 3.064 . 0 0 "[ . 1 . 2]" 2
43 1 34 LEU O 1 38 ASP H 1.950 . 2.100 2.048 2.025 2.078 . 0 0 "[ . 1 . 2]" 2
44 1 34 LEU O 1 38 ASP N 2.900 2.700 3.100 2.944 2.866 2.992 . 0 0 "[ . 1 . 2]" 2
45 1 35 ILE O 1 39 GLU H 1.950 . 2.100 1.979 1.896 2.106 0.006 12 0 "[ . 1 . 2]" 2
46 1 35 ILE O 1 39 GLU N 2.900 2.700 3.100 2.887 2.796 3.019 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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