NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
282894 |
2wqg   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2wqg
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 862
_Distance_constraint_stats_list.Viol_count 492
_Distance_constraint_stats_list.Viol_total 600.755
_Distance_constraint_stats_list.Viol_max 0.184
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0488
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 ALA 0.005 0.004 1 0 "[ . 1 . 2 .]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 TYR 1.237 0.173 6 0 "[ . 1 . 2 .]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 LEU 1.390 0.173 6 0 "[ . 1 . 2 .]"
1 9 THR 0.505 0.031 2 0 "[ . 1 . 2 .]"
1 10 VAL 0.504 0.029 9 0 "[ . 1 . 2 .]"
1 11 VAL 0.006 0.004 12 0 "[ . 1 . 2 .]"
1 12 GLN 2.656 0.103 10 0 "[ . 1 . 2 .]"
1 13 LEU 1.998 0.103 10 0 "[ . 1 . 2 .]"
1 14 LYS 0.039 0.016 10 0 "[ . 1 . 2 .]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 LEU 5.598 0.184 23 0 "[ . 1 . 2 .]"
1 17 LEU 4.801 0.147 22 0 "[ . 1 . 2 .]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 ARG 0.812 0.114 25 0 "[ . 1 . 2 .]"
1 21 ASN 0.905 0.063 3 0 "[ . 1 . 2 .]"
1 22 LEU 2.137 0.114 25 0 "[ . 1 . 2 .]"
1 23 SER 1.964 0.092 22 0 "[ . 1 . 2 .]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 LEU 1.445 0.070 1 0 "[ . 1 . 2 .]"
1 28 LYS 0.012 0.006 25 0 "[ . 1 . 2 .]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 GLU 1.750 0.102 10 0 "[ . 1 . 2 .]"
1 31 TRP 0.819 0.029 9 0 "[ . 1 . 2 .]"
1 32 VAL 0.264 0.023 1 0 "[ . 1 . 2 .]"
1 33 GLN 0.305 0.023 25 0 "[ . 1 . 2 .]"
1 34 ARG 5.038 0.147 22 0 "[ . 1 . 2 .]"
1 35 LEU 4.011 0.184 23 0 "[ . 1 . 2 .]"
1 36 ILE 0.305 0.023 25 0 "[ . 1 . 2 .]"
1 37 LYS 1.404 0.069 6 0 "[ . 1 . 2 .]"
1 38 ASP 1.404 0.069 6 0 "[ . 1 . 2 .]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 GLU 1.592 0.077 15 0 "[ . 1 . 2 .]"
1 41 GLU 0.189 0.025 24 0 "[ . 1 . 2 .]"
1 42 SER 2.792 0.139 25 0 "[ . 1 . 2 .]"
1 43 LYS 1.390 0.139 25 0 "[ . 1 . 2 .]"
1 44 GLY 0.001 0.001 24 0 "[ . 1 . 2 .]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 SER 0.042 0.042 6 0 "[ . 1 . 2 .]"
1 47 GLU 0.042 0.042 6 0 "[ . 1 . 2 .]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 SER 0.054 0.024 3 0 "[ . 1 . 2 .]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 GLN 0.054 0.024 3 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 2 SER H 1 2 SER HA 3.000 . 3.300 2.881 2.276 2.947 . 0 0 "[ . 1 . 2 .]" 1
2 1 2 SER QB 1 3 ALA MB 4.000 . 5.000 3.380 2.922 3.689 . 0 0 "[ . 1 . 2 .]" 1
3 1 2 SER H 1 3 ALA H 4.000 . 5.000 2.800 1.984 4.604 . 0 0 "[ . 1 . 2 .]" 1
4 1 2 SER HA 1 3 ALA H 5.000 . 7.000 3.352 2.237 3.572 . 0 0 "[ . 1 . 2 .]" 1
5 1 2 SER QB 1 3 ALA H 4.000 . 5.000 2.481 1.959 3.463 . 0 0 "[ . 1 . 2 .]" 1
6 1 3 ALA HA 1 3 ALA MB 2.400 . 2.700 2.091 2.079 2.099 . 0 0 "[ . 1 . 2 .]" 1
7 1 3 ALA H 1 3 ALA HA 3.000 . 3.300 2.886 2.269 2.950 . 0 0 "[ . 1 . 2 .]" 1
8 1 3 ALA H 1 3 ALA MB 3.000 . 3.300 2.387 2.068 2.833 . 0 0 "[ . 1 . 2 .]" 1
9 1 3 ALA HA 1 4 ASP QB 4.000 . 5.000 4.126 3.854 4.462 . 0 0 "[ . 1 . 2 .]" 1
10 1 3 ALA H 1 4 ASP H 5.000 . 7.000 3.977 2.855 4.576 . 0 0 "[ . 1 . 2 .]" 1
11 1 3 ALA HA 1 4 ASP H 5.000 . 7.000 2.649 2.218 3.537 . 0 0 "[ . 1 . 2 .]" 1
12 1 3 ALA MB 1 4 ASP H 3.000 . 3.300 2.470 1.907 2.758 . 0 0 "[ . 1 . 2 .]" 1
13 1 4 ASP H 1 4 ASP HA 3.000 . 3.300 2.701 2.269 2.914 . 0 0 "[ . 1 . 2 .]" 1
14 1 4 ASP H 1 4 ASP QB 3.000 . 3.300 2.785 2.656 2.916 . 0 0 "[ . 1 . 2 .]" 1
15 1 4 ASP H 1 5 TYR QD 4.000 . 5.000 3.833 3.550 4.128 . 0 0 "[ . 1 . 2 .]" 1
16 1 4 ASP H 1 5 TYR QE 5.000 . 7.000 4.244 4.051 4.373 . 0 0 "[ . 1 . 2 .]" 1
17 1 4 ASP QB 1 8 LEU MD1 5.000 . 7.000 3.595 3.295 3.840 . 0 0 "[ . 1 . 2 .]" 1
18 1 4 ASP H 1 8 LEU QB 5.000 . 7.000 5.677 5.332 6.286 . 0 0 "[ . 1 . 2 .]" 1
19 1 3 ALA HA 1 5 TYR QD 4.000 . 5.000 4.490 4.466 4.512 . 0 0 "[ . 1 . 2 .]" 1
20 1 3 ALA MB 1 5 TYR QD 4.000 . 5.000 2.473 2.206 2.968 . 0 0 "[ . 1 . 2 .]" 1
21 1 3 ALA HA 1 5 TYR QE 5.000 . 7.000 3.843 3.748 3.963 . 0 0 "[ . 1 . 2 .]" 1
22 1 3 ALA MB 1 5 TYR QE 5.000 . 7.000 1.968 1.796 2.375 0.004 1 0 "[ . 1 . 2 .]" 1
23 1 3 ALA HA 1 5 TYR H 4.000 . 5.000 4.141 3.988 4.448 . 0 0 "[ . 1 . 2 .]" 1
24 1 3 ALA MB 1 5 TYR H 3.000 . 3.300 2.760 2.636 2.793 . 0 0 "[ . 1 . 2 .]" 1
25 1 4 ASP HA 1 5 TYR QB 5.000 . 7.000 4.782 4.717 4.836 . 0 0 "[ . 1 . 2 .]" 1
26 1 4 ASP HA 1 5 TYR QD 4.000 . 5.000 4.476 4.467 4.492 . 0 0 "[ . 1 . 2 .]" 1
27 1 4 ASP QB 1 5 TYR QD 5.000 . 7.000 5.375 5.310 5.471 . 0 0 "[ . 1 . 2 .]" 1
28 1 4 ASP HA 1 5 TYR H 3.000 . 3.300 2.771 2.651 2.837 . 0 0 "[ . 1 . 2 .]" 1
29 1 4 ASP QB 1 5 TYR H 5.000 . 7.000 3.857 3.818 3.952 . 0 0 "[ . 1 . 2 .]" 1
30 1 5 TYR HA 1 5 TYR QD 3.000 . 3.300 2.854 2.767 2.933 . 0 0 "[ . 1 . 2 .]" 1
31 1 5 TYR HA 1 5 TYR QE 5.000 . 7.000 4.702 4.647 4.747 . 0 0 "[ . 1 . 2 .]" 1
32 1 5 TYR QB 1 5 TYR QE 4.000 . 5.000 3.920 3.914 3.924 . 0 0 "[ . 1 . 2 .]" 1
33 1 5 TYR H 1 5 TYR HA 3.000 . 3.300 2.764 2.745 2.793 . 0 0 "[ . 1 . 2 .]" 1
34 1 5 TYR H 1 5 TYR QB 3.000 . 3.300 2.609 2.540 2.635 . 0 0 "[ . 1 . 2 .]" 1
35 1 5 TYR H 1 5 TYR QD 3.000 . 3.300 2.300 2.225 2.427 . 0 0 "[ . 1 . 2 .]" 1
36 1 5 TYR H 1 5 TYR QE 4.000 . 5.000 3.907 3.864 3.964 . 0 0 "[ . 1 . 2 .]" 1
37 1 5 TYR H 1 6 SER QB 4.000 . 5.000 4.472 4.455 4.484 . 0 0 "[ . 1 . 2 .]" 1
38 1 5 TYR HA 1 8 LEU QB 3.000 . 3.300 1.771 1.627 1.853 0.173 6 0 "[ . 1 . 2 .]" 1
39 1 5 TYR HA 1 8 LEU MD1 3.000 . 3.300 2.050 1.944 2.173 . 0 0 "[ . 1 . 2 .]" 1
40 1 5 TYR QB 1 8 LEU QB 4.000 . 5.000 2.999 2.871 3.103 . 0 0 "[ . 1 . 2 .]" 1
41 1 5 TYR QD 1 8 LEU QB 4.000 . 5.000 3.277 3.197 3.314 . 0 0 "[ . 1 . 2 .]" 1
42 1 5 TYR QD 1 8 LEU MD1 4.000 . 5.000 2.740 2.669 2.822 . 0 0 "[ . 1 . 2 .]" 1
43 1 5 TYR QD 1 8 LEU MD2 4.000 . 5.000 2.714 2.603 2.813 . 0 0 "[ . 1 . 2 .]" 1
44 1 5 TYR QE 1 8 LEU MD1 4.000 . 5.000 3.725 3.719 3.729 . 0 0 "[ . 1 . 2 .]" 1
45 1 5 TYR QE 1 8 LEU MD2 4.000 . 5.000 3.723 3.717 3.729 . 0 0 "[ . 1 . 2 .]" 1
46 1 5 TYR H 1 8 LEU QB 4.000 . 5.000 4.407 4.263 4.475 . 0 0 "[ . 1 . 2 .]" 1
47 1 5 TYR QB 1 13 LEU MD1 3.000 . 3.300 1.959 1.924 2.018 . 0 0 "[ . 1 . 2 .]" 1
48 1 5 TYR QB 1 13 LEU MD2 3.000 . 3.300 2.064 1.854 2.230 . 0 0 "[ . 1 . 2 .]" 1
49 1 5 TYR QD 1 13 LEU HG 5.000 . 7.000 2.563 2.509 2.647 . 0 0 "[ . 1 . 2 .]" 1
50 1 5 TYR QE 1 13 LEU HG 4.000 . 5.000 4.472 4.455 4.491 . 0 0 "[ . 1 . 2 .]" 1
51 1 5 TYR QD 1 16 LEU MD1 4.000 . 5.000 3.512 3.435 3.672 . 0 0 "[ . 1 . 2 .]" 1
52 1 5 TYR QD 1 16 LEU MD2 3.000 . 3.300 2.447 2.366 2.476 . 0 0 "[ . 1 . 2 .]" 1
53 1 5 TYR QE 1 16 LEU QB 5.000 . 7.000 4.016 3.896 4.157 . 0 0 "[ . 1 . 2 .]" 1
54 1 5 TYR QE 1 16 LEU MD1 3.000 . 3.300 1.843 1.793 2.008 0.007 15 0 "[ . 1 . 2 .]" 1
55 1 5 TYR QE 1 16 LEU MD2 3.000 . 3.300 2.200 1.992 2.338 . 0 0 "[ . 1 . 2 .]" 1
56 1 5 TYR QD 1 32 VAL HA 4.000 . 5.000 2.580 2.403 2.792 . 0 0 "[ . 1 . 2 .]" 1
57 1 5 TYR QE 1 32 VAL HA 5.000 . 7.000 4.245 4.098 4.486 . 0 0 "[ . 1 . 2 .]" 1
58 1 5 TYR QB 1 35 LEU QB 5.000 . 7.000 3.664 3.524 3.772 . 0 0 "[ . 1 . 2 .]" 1
59 1 5 TYR QB 1 35 LEU MD1 4.000 . 5.000 2.556 2.494 2.595 . 0 0 "[ . 1 . 2 .]" 1
60 1 5 TYR QD 1 35 LEU MD1 3.000 . 3.300 2.448 2.378 2.467 . 0 0 "[ . 1 . 2 .]" 1
61 1 5 TYR QE 1 35 LEU HA 4.000 . 5.000 4.485 4.477 4.499 . 0 0 "[ . 1 . 2 .]" 1
62 1 5 TYR QE 1 35 LEU MD1 3.000 . 3.300 2.484 2.468 2.498 . 0 0 "[ . 1 . 2 .]" 1
63 1 5 TYR H 1 35 LEU MD1 5.000 . 7.000 4.462 4.407 4.554 . 0 0 "[ . 1 . 2 .]" 1
64 1 5 TYR QD 1 36 ILE HA 4.000 . 5.000 4.345 4.158 4.455 . 0 0 "[ . 1 . 2 .]" 1
65 1 5 TYR QD 1 36 ILE MD 5.000 . 7.000 3.141 3.063 3.218 . 0 0 "[ . 1 . 2 .]" 1
66 1 5 TYR QD 1 36 ILE QG 3.000 . 3.300 2.239 2.103 2.347 . 0 0 "[ . 1 . 2 .]" 1
67 1 5 TYR QE 1 36 ILE HA 3.000 . 3.300 2.886 2.684 2.946 . 0 0 "[ . 1 . 2 .]" 1
68 1 5 TYR QE 1 36 ILE QG 3.000 . 3.300 2.650 2.631 2.661 . 0 0 "[ . 1 . 2 .]" 1
69 1 5 TYR H 1 36 ILE MD 4.000 . 5.000 3.806 3.675 4.043 . 0 0 "[ . 1 . 2 .]" 1
70 1 5 TYR QE 1 39 ASP QB 5.000 . 7.000 4.018 3.705 4.282 . 0 0 "[ . 1 . 2 .]" 1
71 1 4 ASP HA 1 6 SER H 3.000 . 3.300 3.190 3.107 3.300 . 0 0 "[ . 1 . 2 .]" 1
72 1 4 ASP QB 1 6 SER H 5.000 . 7.000 4.439 4.140 4.749 . 0 0 "[ . 1 . 2 .]" 1
73 1 5 TYR QB 1 6 SER HA 4.000 . 5.000 3.885 3.855 3.898 . 0 0 "[ . 1 . 2 .]" 1
74 1 5 TYR QB 1 6 SER H 4.000 . 5.000 2.838 2.743 2.909 . 0 0 "[ . 1 . 2 .]" 1
75 1 5 TYR QD 1 6 SER H 4.000 . 5.000 3.941 3.872 4.006 . 0 0 "[ . 1 . 2 .]" 1
76 1 5 TYR H 1 6 SER H 3.000 . 3.300 2.732 2.643 2.772 . 0 0 "[ . 1 . 2 .]" 1
77 1 6 SER H 1 6 SER HA 3.000 . 3.300 2.751 2.746 2.758 . 0 0 "[ . 1 . 2 .]" 1
78 1 6 SER H 1 6 SER QB 3.000 . 3.300 2.206 2.112 2.256 . 0 0 "[ . 1 . 2 .]" 1
79 1 6 SER H 1 7 SER H 3.000 . 3.300 2.765 2.740 2.789 . 0 0 "[ . 1 . 2 .]" 1
80 1 6 SER H 1 8 LEU H 4.000 . 5.000 4.002 3.950 4.057 . 0 0 "[ . 1 . 2 .]" 1
81 1 6 SER HA 1 28 LYS QG 5.000 . 7.000 4.028 3.596 4.371 . 0 0 "[ . 1 . 2 .]" 1
82 1 6 SER HA 1 31 TRP QB 5.000 . 7.000 6.048 5.862 6.142 . 0 0 "[ . 1 . 2 .]" 1
83 1 6 SER QB 1 32 VAL QG 3.000 . 3.300 2.212 2.205 2.225 . 0 0 "[ . 1 . 2 .]" 1
84 1 6 SER H 1 36 ILE MD 5.000 . 7.000 3.981 3.876 4.199 . 0 0 "[ . 1 . 2 .]" 1
85 1 6 SER HA 1 7 SER H 4.000 . 5.000 3.457 3.448 3.466 . 0 0 "[ . 1 . 2 .]" 1
86 1 6 SER QB 1 7 SER H 4.000 . 5.000 3.101 2.923 3.596 . 0 0 "[ . 1 . 2 .]" 1
87 1 7 SER H 1 7 SER HA 3.000 . 3.300 2.931 2.922 2.936 . 0 0 "[ . 1 . 2 .]" 1
88 1 7 SER H 1 7 SER QB 3.000 . 3.300 2.513 2.220 2.873 . 0 0 "[ . 1 . 2 .]" 1
89 1 7 SER H 1 8 LEU QB 4.000 . 5.000 3.746 3.686 3.795 . 0 0 "[ . 1 . 2 .]" 1
90 1 7 SER H 1 8 LEU MD1 4.000 . 5.000 3.878 3.836 3.970 . 0 0 "[ . 1 . 2 .]" 1
91 1 7 SER H 1 8 LEU H 3.000 . 3.300 2.089 2.044 2.147 . 0 0 "[ . 1 . 2 .]" 1
92 1 5 TYR HA 1 8 LEU H 3.000 . 3.300 2.695 2.651 2.752 . 0 0 "[ . 1 . 2 .]" 1
93 1 6 SER HA 1 8 LEU H 4.000 . 5.000 4.387 4.326 4.423 . 0 0 "[ . 1 . 2 .]" 1
94 1 7 SER QB 1 8 LEU H 4.000 . 5.000 3.108 2.887 3.621 . 0 0 "[ . 1 . 2 .]" 1
95 1 8 LEU HA 1 8 LEU MD1 4.000 . 5.000 3.115 3.046 3.139 . 0 0 "[ . 1 . 2 .]" 1
96 1 8 LEU HA 1 8 LEU MD2 4.000 . 5.000 3.460 3.441 3.505 . 0 0 "[ . 1 . 2 .]" 1
97 1 8 LEU HA 1 8 LEU HG 4.000 . 5.000 2.129 2.120 2.140 . 0 0 "[ . 1 . 2 .]" 1
98 1 8 LEU QB 1 8 LEU MD1 2.400 . 2.700 2.006 2.004 2.008 . 0 0 "[ . 1 . 2 .]" 1
99 1 8 LEU QB 1 8 LEU MD2 3.000 . 3.300 1.928 1.905 2.011 . 0 0 "[ . 1 . 2 .]" 1
100 1 8 LEU H 1 8 LEU HA 3.000 . 3.300 2.794 2.787 2.803 . 0 0 "[ . 1 . 2 .]" 1
101 1 8 LEU H 1 8 LEU QB 3.000 . 3.300 2.034 2.012 2.045 . 0 0 "[ . 1 . 2 .]" 1
102 1 8 LEU H 1 8 LEU MD1 3.000 . 3.300 2.715 2.663 2.762 . 0 0 "[ . 1 . 2 .]" 1
103 1 8 LEU H 1 8 LEU MD2 5.000 . 7.000 4.376 4.353 4.384 . 0 0 "[ . 1 . 2 .]" 1
104 1 8 LEU H 1 8 LEU HG 4.000 . 5.000 3.870 3.833 3.945 . 0 0 "[ . 1 . 2 .]" 1
105 1 8 LEU MD2 1 9 THR HG1 5.000 . 7.000 5.753 5.640 5.832 . 0 0 "[ . 1 . 2 .]" 1
106 1 8 LEU HA 1 9 THR H 4.000 . 5.000 2.796 2.755 2.849 . 0 0 "[ . 1 . 2 .]" 1
107 1 8 LEU QB 1 9 THR H 4.000 . 5.000 1.879 1.838 1.932 . 0 0 "[ . 1 . 2 .]" 1
108 1 8 LEU MD1 1 9 THR H 4.000 . 5.000 4.199 4.177 4.215 . 0 0 "[ . 1 . 2 .]" 1
109 1 8 LEU MD2 1 9 THR H 3.000 . 3.300 2.470 2.368 2.697 . 0 0 "[ . 1 . 2 .]" 1
110 1 8 LEU HG 1 9 THR H 3.000 . 3.300 3.157 3.056 3.215 . 0 0 "[ . 1 . 2 .]" 1
111 1 8 LEU H 1 9 THR H 4.000 . 5.000 4.472 4.445 4.491 . 0 0 "[ . 1 . 2 .]" 1
112 1 9 THR HA 1 9 THR HG1 4.000 . 5.000 3.746 3.722 3.782 . 0 0 "[ . 1 . 2 .]" 1
113 1 9 THR HG1 1 9 THR MG 3.000 . 3.300 2.157 2.063 2.220 . 0 0 "[ . 1 . 2 .]" 1
114 1 9 THR H 1 9 THR HG1 4.000 . 5.000 4.496 4.461 4.523 . 0 0 "[ . 1 . 2 .]" 1
115 1 9 THR H 1 9 THR MG 3.000 . 3.300 1.913 1.883 1.945 . 0 0 "[ . 1 . 2 .]" 1
116 1 9 THR HA 1 10 VAL MG2 5.000 . 7.000 3.977 3.893 4.022 . 0 0 "[ . 1 . 2 .]" 1
117 1 9 THR HG1 1 10 VAL MG2 5.000 . 7.000 3.324 3.209 3.371 . 0 0 "[ . 1 . 2 .]" 1
118 1 9 THR H 1 10 VAL HA 5.000 . 7.000 5.261 5.237 5.295 . 0 0 "[ . 1 . 2 .]" 1
119 1 9 THR H 1 10 VAL H 4.000 . 5.000 4.498 4.487 4.509 . 0 0 "[ . 1 . 2 .]" 1
120 1 9 THR HG1 1 11 VAL HA 5.000 . 7.000 4.891 4.831 4.926 . 0 0 "[ . 1 . 2 .]" 1
121 1 9 THR HG1 1 11 VAL HB 4.000 . 5.000 4.402 4.337 4.451 . 0 0 "[ . 1 . 2 .]" 1
122 1 9 THR HG1 1 11 VAL MG1 4.000 . 5.000 2.357 2.254 2.406 . 0 0 "[ . 1 . 2 .]" 1
123 1 9 THR HG1 1 11 VAL MG2 3.000 . 3.300 1.881 1.843 1.909 . 0 0 "[ . 1 . 2 .]" 1
124 1 9 THR H 1 11 VAL MG1 5.000 . 7.000 5.858 5.849 5.865 . 0 0 "[ . 1 . 2 .]" 1
125 1 9 THR H 1 11 VAL H 5.000 . 7.000 4.951 4.908 5.072 . 0 0 "[ . 1 . 2 .]" 1
126 1 9 THR HG1 1 12 GLN HA 5.000 . 7.000 5.888 5.842 5.918 . 0 0 "[ . 1 . 2 .]" 1
127 1 9 THR HG1 1 12 GLN QB 5.000 . 7.000 4.435 4.256 4.624 . 0 0 "[ . 1 . 2 .]" 1
128 1 9 THR HG1 1 12 GLN QG 5.000 . 7.000 4.631 3.647 5.678 . 0 0 "[ . 1 . 2 .]" 1
129 1 9 THR H 1 12 GLN HA 5.000 . 7.000 5.543 5.435 5.660 . 0 0 "[ . 1 . 2 .]" 1
130 1 9 THR H 1 12 GLN QB 3.000 . 3.300 2.608 2.456 2.763 . 0 0 "[ . 1 . 2 .]" 1
131 1 9 THR H 1 12 GLN QE 4.000 . 5.000 3.865 3.602 4.109 . 0 0 "[ . 1 . 2 .]" 1
132 1 9 THR H 1 12 GLN QG 5.000 . 7.000 4.249 3.887 4.625 . 0 0 "[ . 1 . 2 .]" 1
133 1 9 THR H 1 12 GLN H 4.000 . 5.000 3.781 3.715 3.864 . 0 0 "[ . 1 . 2 .]" 1
134 1 9 THR H 1 13 LEU QB 4.000 . 5.000 4.470 4.456 4.486 . 0 0 "[ . 1 . 2 .]" 1
135 1 8 LEU QB 1 10 VAL H 5.000 . 7.000 5.349 5.299 5.413 . 0 0 "[ . 1 . 2 .]" 1
136 1 9 THR HA 1 10 VAL H 4.000 . 5.000 2.332 2.304 2.384 . 0 0 "[ . 1 . 2 .]" 1
137 1 9 THR HG1 1 10 VAL H 5.000 . 7.000 3.479 3.349 3.551 . 0 0 "[ . 1 . 2 .]" 1
138 1 9 THR MG 1 10 VAL H 4.000 . 5.000 3.978 3.902 4.010 . 0 0 "[ . 1 . 2 .]" 1
139 1 10 VAL HA 1 10 VAL MG1 3.000 . 3.300 2.225 2.146 2.332 . 0 0 "[ . 1 . 2 .]" 1
140 1 10 VAL H 1 10 VAL HA 3.000 . 3.300 2.805 2.792 2.823 . 0 0 "[ . 1 . 2 .]" 1
141 1 10 VAL H 1 10 VAL HB 4.000 . 5.000 3.597 3.587 3.604 . 0 0 "[ . 1 . 2 .]" 1
142 1 10 VAL H 1 10 VAL MG1 3.000 . 3.300 2.449 2.316 2.538 . 0 0 "[ . 1 . 2 .]" 1
143 1 10 VAL H 1 10 VAL MG2 3.000 . 3.300 2.104 1.937 2.140 . 0 0 "[ . 1 . 2 .]" 1
144 1 10 VAL H 1 11 VAL HB 5.000 . 7.000 6.231 6.182 6.277 . 0 0 "[ . 1 . 2 .]" 1
145 1 10 VAL H 1 11 VAL MG2 4.000 . 5.000 4.180 4.168 4.188 . 0 0 "[ . 1 . 2 .]" 1
146 1 10 VAL H 1 11 VAL H 3.000 . 3.300 2.642 2.597 2.684 . 0 0 "[ . 1 . 2 .]" 1
147 1 10 VAL H 1 12 GLN H 4.000 . 5.000 4.353 4.308 4.413 . 0 0 "[ . 1 . 2 .]" 1
148 1 10 VAL H 1 13 LEU QB 5.000 . 7.000 4.402 4.337 4.492 . 0 0 "[ . 1 . 2 .]" 1
149 1 10 VAL H 1 13 LEU MD1 5.000 . 7.000 4.126 4.075 4.219 . 0 0 "[ . 1 . 2 .]" 1
150 1 10 VAL H 1 31 TRP HE3 5.000 . 7.000 5.449 5.376 5.503 . 0 0 "[ . 1 . 2 .]" 1
151 1 10 VAL H 1 31 TRP HZ3 5.000 . 7.000 4.688 4.647 4.724 . 0 0 "[ . 1 . 2 .]" 1
152 1 9 THR HA 1 11 VAL H 4.000 . 5.000 4.153 4.095 4.249 . 0 0 "[ . 1 . 2 .]" 1
153 1 9 THR HG1 1 11 VAL H 4.000 . 5.000 2.556 2.483 2.584 . 0 0 "[ . 1 . 2 .]" 1
154 1 9 THR MG 1 11 VAL H 4.000 . 5.000 3.384 3.281 3.582 . 0 0 "[ . 1 . 2 .]" 1
155 1 10 VAL HA 1 11 VAL H 4.000 . 5.000 3.504 3.498 3.522 . 0 0 "[ . 1 . 2 .]" 1
156 1 10 VAL HB 1 11 VAL H 4.000 . 5.000 3.733 3.628 3.761 . 0 0 "[ . 1 . 2 .]" 1
157 1 10 VAL MG1 1 11 VAL H 4.000 . 5.000 4.047 4.009 4.069 . 0 0 "[ . 1 . 2 .]" 1
158 1 10 VAL MG2 1 11 VAL H 4.000 . 5.000 1.833 1.796 1.854 0.004 12 0 "[ . 1 . 2 .]" 1
159 1 11 VAL HA 1 11 VAL MG1 3.000 . 3.300 2.432 2.414 2.447 . 0 0 "[ . 1 . 2 .]" 1
160 1 11 VAL HB 1 11 VAL MG1 2.400 . 2.700 2.123 2.120 2.125 . 0 0 "[ . 1 . 2 .]" 1
161 1 11 VAL HB 1 11 VAL MG2 2.400 . 2.700 2.127 2.123 2.130 . 0 0 "[ . 1 . 2 .]" 1
162 1 11 VAL H 1 11 VAL HA 3.000 . 3.300 2.838 2.813 2.847 . 0 0 "[ . 1 . 2 .]" 1
163 1 11 VAL H 1 11 VAL HB 4.000 . 5.000 3.609 3.596 3.615 . 0 0 "[ . 1 . 2 .]" 1
164 1 11 VAL H 1 11 VAL MG1 3.000 . 3.300 1.960 1.942 1.987 . 0 0 "[ . 1 . 2 .]" 1
165 1 11 VAL H 1 11 VAL MG2 3.000 . 3.300 2.327 2.288 2.405 . 0 0 "[ . 1 . 2 .]" 1
166 1 11 VAL HA 1 15 ASP HA 5.000 . 7.000 5.797 5.761 5.846 . 0 0 "[ . 1 . 2 .]" 1
167 1 8 LEU MD2 1 12 GLN HA 4.000 . 5.000 4.094 3.996 4.169 . 0 0 "[ . 1 . 2 .]" 1
168 1 8 LEU MD1 1 12 GLN QB 5.000 . 7.000 4.131 4.084 4.199 . 0 0 "[ . 1 . 2 .]" 1
169 1 8 LEU MD2 1 12 GLN QB 5.000 . 7.000 1.809 1.768 1.903 0.032 16 0 "[ . 1 . 2 .]" 1
170 1 8 LEU HG 1 12 GLN QB 4.000 . 5.000 3.818 3.644 3.939 . 0 0 "[ . 1 . 2 .]" 1
171 1 8 LEU MD2 1 12 GLN QE 4.000 . 5.000 3.430 2.824 3.715 . 0 0 "[ . 1 . 2 .]" 1
172 1 8 LEU HG 1 12 GLN QE 5.000 . 7.000 4.176 3.690 4.774 . 0 0 "[ . 1 . 2 .]" 1
173 1 8 LEU MD2 1 12 GLN QG 4.000 . 5.000 3.043 2.583 3.425 . 0 0 "[ . 1 . 2 .]" 1
174 1 8 LEU MD2 1 12 GLN H 4.000 . 5.000 3.984 3.942 4.129 . 0 0 "[ . 1 . 2 .]" 1
175 1 8 LEU HG 1 12 GLN H 5.000 . 7.000 6.250 6.077 6.383 . 0 0 "[ . 1 . 2 .]" 1
176 1 9 THR MG 1 12 GLN QB 3.000 . 3.300 1.881 1.830 1.932 . 0 0 "[ . 1 . 2 .]" 1
177 1 9 THR MG 1 12 GLN QE 4.000 . 5.000 1.887 1.834 1.957 . 0 0 "[ . 1 . 2 .]" 1
178 1 9 THR HG1 1 12 GLN H 3.000 . 3.300 3.320 3.313 3.331 0.031 2 0 "[ . 1 . 2 .]" 1
179 1 9 THR MG 1 12 GLN H 3.000 . 3.300 2.130 1.945 2.570 . 0 0 "[ . 1 . 2 .]" 1
180 1 10 VAL HA 1 12 GLN H 4.000 . 5.000 4.536 4.490 4.559 . 0 0 "[ . 1 . 2 .]" 1
181 1 10 VAL MG2 1 12 GLN H 4.000 . 5.000 4.225 4.216 4.237 . 0 0 "[ . 1 . 2 .]" 1
182 1 11 VAL MG1 1 12 GLN QB 5.000 . 7.000 5.104 4.984 5.212 . 0 0 "[ . 1 . 2 .]" 1
183 1 11 VAL MG1 1 12 GLN QE 5.000 . 7.000 5.085 4.438 5.200 . 0 0 "[ . 1 . 2 .]" 1
184 1 11 VAL HA 1 12 GLN H 4.000 . 5.000 3.535 3.529 3.541 . 0 0 "[ . 1 . 2 .]" 1
185 1 11 VAL MG1 1 12 GLN H 4.000 . 5.000 3.607 3.563 3.641 . 0 0 "[ . 1 . 2 .]" 1
186 1 11 VAL MG2 1 12 GLN H 3.000 . 3.300 1.858 1.825 1.882 . 0 0 "[ . 1 . 2 .]" 1
187 1 12 GLN HA 1 12 GLN QG 3.000 . 3.300 2.265 2.077 2.413 . 0 0 "[ . 1 . 2 .]" 1
188 1 12 GLN HA 1 12 GLN QE 5.000 . 7.000 4.619 4.120 4.858 . 0 0 "[ . 1 . 2 .]" 1
189 1 12 GLN H 1 12 GLN HA 3.000 . 3.300 2.860 2.856 2.864 . 0 0 "[ . 1 . 2 .]" 1
190 1 12 GLN H 1 12 GLN QG 4.000 . 5.000 3.023 2.340 3.763 . 0 0 "[ . 1 . 2 .]" 1
191 1 12 GLN QB 1 13 LEU MD1 5.000 . 7.000 3.324 3.126 3.542 . 0 0 "[ . 1 . 2 .]" 1
192 1 12 GLN H 1 13 LEU HA 4.000 . 5.000 5.079 5.063 5.103 0.103 10 0 "[ . 1 . 2 .]" 1
193 1 12 GLN H 1 13 LEU QB 4.000 . 5.000 4.129 4.109 4.163 . 0 0 "[ . 1 . 2 .]" 1
194 1 12 GLN HA 1 15 ASP QB 3.000 . 3.300 2.298 2.173 2.382 . 0 0 "[ . 1 . 2 .]" 1
195 1 12 GLN H 1 15 ASP QB 4.000 . 5.000 4.394 4.316 4.448 . 0 0 "[ . 1 . 2 .]" 1
196 1 8 LEU MD2 1 13 LEU HA 4.000 . 5.000 3.466 3.234 3.653 . 0 0 "[ . 1 . 2 .]" 1
197 1 8 LEU QB 1 13 LEU H 5.000 . 7.000 3.724 3.603 3.894 . 0 0 "[ . 1 . 2 .]" 1
198 1 8 LEU MD2 1 13 LEU H 4.000 . 5.000 3.301 3.172 3.469 . 0 0 "[ . 1 . 2 .]" 1
199 1 8 LEU HG 1 13 LEU H 5.000 . 7.000 5.903 5.661 6.124 . 0 0 "[ . 1 . 2 .]" 1
200 1 9 THR HG1 1 13 LEU H 5.000 . 7.000 5.296 5.256 5.369 . 0 0 "[ . 1 . 2 .]" 1
201 1 11 VAL HA 1 13 LEU H 4.000 . 5.000 4.550 4.402 4.688 . 0 0 "[ . 1 . 2 .]" 1
202 1 11 VAL HB 1 13 LEU H 5.000 . 7.000 5.754 5.656 5.870 . 0 0 "[ . 1 . 2 .]" 1
203 1 11 VAL MG1 1 13 LEU H 5.000 . 7.000 5.185 5.087 5.297 . 0 0 "[ . 1 . 2 .]" 1
204 1 11 VAL H 1 13 LEU H 4.000 . 5.000 3.938 3.828 4.077 . 0 0 "[ . 1 . 2 .]" 1
205 1 12 GLN HA 1 13 LEU H 4.000 . 5.000 3.511 3.492 3.529 . 0 0 "[ . 1 . 2 .]" 1
206 1 12 GLN QB 1 13 LEU H 4.000 . 5.000 2.638 2.524 2.684 . 0 0 "[ . 1 . 2 .]" 1
207 1 12 GLN QG 1 13 LEU H 4.000 . 5.000 4.300 4.073 4.478 . 0 0 "[ . 1 . 2 .]" 1
208 1 12 GLN H 1 13 LEU H 3.000 . 3.300 2.465 2.437 2.501 . 0 0 "[ . 1 . 2 .]" 1
209 1 13 LEU HA 1 13 LEU MD2 4.000 . 5.000 3.486 3.340 3.570 . 0 0 "[ . 1 . 2 .]" 1
210 1 13 LEU HA 1 13 LEU HG 3.000 . 3.300 2.129 2.093 2.168 . 0 0 "[ . 1 . 2 .]" 1
211 1 13 LEU H 1 13 LEU HA 3.000 . 3.300 2.774 2.758 2.799 . 0 0 "[ . 1 . 2 .]" 1
212 1 13 LEU H 1 13 LEU QB 3.000 . 3.300 2.077 2.062 2.099 . 0 0 "[ . 1 . 2 .]" 1
213 1 13 LEU H 1 13 LEU MD1 3.000 . 3.300 2.536 2.466 2.602 . 0 0 "[ . 1 . 2 .]" 1
214 1 13 LEU H 1 13 LEU MD2 5.000 . 7.000 4.308 4.262 4.354 . 0 0 "[ . 1 . 2 .]" 1
215 1 13 LEU H 1 13 LEU HG 4.000 . 5.000 3.819 3.632 3.927 . 0 0 "[ . 1 . 2 .]" 1
216 1 13 LEU H 1 14 LYS HA 5.000 . 7.000 5.413 5.369 5.449 . 0 0 "[ . 1 . 2 .]" 1
217 1 13 LEU H 1 14 LYS QB 5.000 . 7.000 5.115 5.044 5.329 . 0 0 "[ . 1 . 2 .]" 1
218 1 13 LEU H 1 14 LYS H 5.000 . 7.000 2.882 2.825 2.947 . 0 0 "[ . 1 . 2 .]" 1
219 1 13 LEU H 1 15 ASP H 4.000 . 5.000 3.939 3.825 4.066 . 0 0 "[ . 1 . 2 .]" 1
220 1 13 LEU HA 1 16 LEU QB 4.000 . 5.000 3.781 3.710 3.897 . 0 0 "[ . 1 . 2 .]" 1
221 1 13 LEU HA 1 17 LEU MD1 4.000 . 5.000 4.191 4.179 4.234 . 0 0 "[ . 1 . 2 .]" 1
222 1 13 LEU QB 1 17 LEU MD1 5.000 . 7.000 2.866 2.826 2.932 . 0 0 "[ . 1 . 2 .]" 1
223 1 13 LEU H 1 28 LYS QG 5.000 . 7.000 4.993 4.903 5.063 . 0 0 "[ . 1 . 2 .]" 1
224 1 13 LEU H 1 31 TRP HE3 5.000 . 7.000 4.362 4.249 4.483 . 0 0 "[ . 1 . 2 .]" 1
225 1 13 LEU HA 1 35 LEU MD1 3.000 . 3.300 2.712 2.457 2.763 . 0 0 "[ . 1 . 2 .]" 1
226 1 13 LEU MD1 1 35 LEU MD1 5.000 . 7.000 3.629 3.541 3.713 . 0 0 "[ . 1 . 2 .]" 1
227 1 13 LEU MD2 1 35 LEU MD1 4.000 . 5.000 2.452 2.154 2.616 . 0 0 "[ . 1 . 2 .]" 1
228 1 10 VAL MG1 1 14 LYS H 5.000 . 7.000 5.224 5.159 5.265 . 0 0 "[ . 1 . 2 .]" 1
229 1 11 VAL HA 1 14 LYS H 4.000 . 5.000 3.947 3.900 4.015 . 0 0 "[ . 1 . 2 .]" 1
230 1 12 GLN QB 1 14 LYS H 5.000 . 7.000 4.961 4.830 5.042 . 0 0 "[ . 1 . 2 .]" 1
231 1 13 LEU QB 1 14 LYS HA 5.000 . 7.000 3.737 3.709 3.793 . 0 0 "[ . 1 . 2 .]" 1
232 1 13 LEU HA 1 14 LYS H 5.000 . 7.000 3.568 3.556 3.581 . 0 0 "[ . 1 . 2 .]" 1
233 1 13 LEU QB 1 14 LYS H 4.000 . 5.000 2.487 2.441 2.585 . 0 0 "[ . 1 . 2 .]" 1
234 1 13 LEU HG 1 14 LYS H 4.000 . 5.000 4.843 4.803 4.901 . 0 0 "[ . 1 . 2 .]" 1
235 1 14 LYS HA 1 14 LYS QE 4.000 . 5.000 4.007 3.984 4.098 . 0 0 "[ . 1 . 2 .]" 1
236 1 14 LYS H 1 14 LYS HA 3.000 . 3.300 2.842 2.834 2.854 . 0 0 "[ . 1 . 2 .]" 1
237 1 14 LYS H 1 14 LYS QB 3.000 . 3.300 2.510 2.472 2.680 . 0 0 "[ . 1 . 2 .]" 1
238 1 14 LYS H 1 14 LYS QD 4.000 . 5.000 3.849 3.816 3.905 . 0 0 "[ . 1 . 2 .]" 1
239 1 14 LYS H 1 14 LYS QE 5.000 . 7.000 4.552 4.504 4.602 . 0 0 "[ . 1 . 2 .]" 1
240 1 14 LYS H 1 14 LYS QG 4.000 . 5.000 2.137 1.967 2.196 . 0 0 "[ . 1 . 2 .]" 1
241 1 14 LYS H 1 15 ASP QB 4.000 . 5.000 4.346 4.323 4.368 . 0 0 "[ . 1 . 2 .]" 1
242 1 14 LYS H 1 15 ASP H 3.000 . 3.300 2.571 2.546 2.594 . 0 0 "[ . 1 . 2 .]" 1
243 1 14 LYS H 1 16 LEU H 5.000 . 7.000 4.396 4.238 4.452 . 0 0 "[ . 1 . 2 .]" 1
244 1 14 LYS HA 1 17 LEU QB 3.000 . 3.300 1.893 1.850 1.967 . 0 0 "[ . 1 . 2 .]" 1
245 1 14 LYS HA 1 17 LEU MD1 3.000 . 3.300 1.981 1.935 2.075 . 0 0 "[ . 1 . 2 .]" 1
246 1 14 LYS HA 1 17 LEU MD2 4.000 . 5.000 4.104 4.055 4.191 . 0 0 "[ . 1 . 2 .]" 1
247 1 14 LYS HA 1 17 LEU HG 4.000 . 5.000 3.134 3.066 3.248 . 0 0 "[ . 1 . 2 .]" 1
248 1 14 LYS QB 1 17 LEU MD1 5.000 . 7.000 2.970 2.869 3.086 . 0 0 "[ . 1 . 2 .]" 1
249 1 14 LYS QG 1 17 LEU MD1 5.000 . 7.000 4.367 4.206 4.494 . 0 0 "[ . 1 . 2 .]" 1
250 1 14 LYS H 1 17 LEU MD1 5.000 . 7.000 3.614 3.547 3.741 . 0 0 "[ . 1 . 2 .]" 1
251 1 14 LYS QE 1 18 THR MG 4.000 . 5.000 3.717 3.710 3.725 . 0 0 "[ . 1 . 2 .]" 1
252 1 14 LYS HA 1 24 VAL HB 5.000 . 7.000 3.154 3.002 3.241 . 0 0 "[ . 1 . 2 .]" 1
253 1 14 LYS HA 1 24 VAL MG1 3.000 . 3.300 1.944 1.887 2.004 . 0 0 "[ . 1 . 2 .]" 1
254 1 14 LYS HA 1 24 VAL MG2 5.000 . 7.000 4.339 4.210 4.413 . 0 0 "[ . 1 . 2 .]" 1
255 1 14 LYS QB 1 24 VAL MG1 3.000 . 3.300 1.886 1.844 1.924 . 0 0 "[ . 1 . 2 .]" 1
256 1 14 LYS QE 1 24 VAL HB 4.000 . 5.000 2.830 2.716 3.059 . 0 0 "[ . 1 . 2 .]" 1
257 1 14 LYS QE 1 24 VAL MG1 3.000 . 3.300 2.466 2.457 2.475 . 0 0 "[ . 1 . 2 .]" 1
258 1 14 LYS QE 1 24 VAL MG2 3.000 . 3.300 2.220 2.055 2.333 . 0 0 "[ . 1 . 2 .]" 1
259 1 14 LYS H 1 28 LYS QG 5.000 . 7.000 5.316 5.185 5.415 . 0 0 "[ . 1 . 2 .]" 1
260 1 14 LYS H 1 31 TRP HZ3 3.000 . 3.300 3.272 3.158 3.316 0.016 10 0 "[ . 1 . 2 .]" 1
261 1 14 LYS H 1 35 LEU MD1 5.000 . 7.000 4.967 4.862 5.025 . 0 0 "[ . 1 . 2 .]" 1
262 1 11 VAL MG1 1 15 ASP QB 5.000 . 7.000 5.213 5.199 5.223 . 0 0 "[ . 1 . 2 .]" 1
263 1 11 VAL HA 1 15 ASP H 4.000 . 5.000 4.010 3.969 4.051 . 0 0 "[ . 1 . 2 .]" 1
264 1 12 GLN HA 1 15 ASP H 4.000 . 5.000 3.461 3.387 3.524 . 0 0 "[ . 1 . 2 .]" 1
265 1 12 GLN QB 1 15 ASP H 5.000 . 7.000 4.828 4.755 4.886 . 0 0 "[ . 1 . 2 .]" 1
266 1 13 LEU QB 1 15 ASP H 5.000 . 7.000 4.423 4.357 4.526 . 0 0 "[ . 1 . 2 .]" 1
267 1 14 LYS HA 1 15 ASP H 4.000 . 5.000 3.511 3.499 3.531 . 0 0 "[ . 1 . 2 .]" 1
268 1 14 LYS QB 1 15 ASP H 4.000 . 5.000 3.544 3.469 3.579 . 0 0 "[ . 1 . 2 .]" 1
269 1 14 LYS QG 1 15 ASP H 4.000 . 5.000 2.290 2.077 2.377 . 0 0 "[ . 1 . 2 .]" 1
270 1 15 ASP H 1 15 ASP QB 3.000 . 3.300 2.259 2.257 2.262 . 0 0 "[ . 1 . 2 .]" 1
271 1 15 ASP H 1 16 LEU QB 4.000 . 5.000 4.501 4.486 4.517 . 0 0 "[ . 1 . 2 .]" 1
272 1 15 ASP H 1 16 LEU H 3.000 . 3.300 2.689 2.653 2.707 . 0 0 "[ . 1 . 2 .]" 1
273 1 15 ASP H 1 17 LEU MD1 5.000 . 7.000 4.784 4.718 4.916 . 0 0 "[ . 1 . 2 .]" 1
274 1 15 ASP HA 1 18 THR MG 3.000 . 3.300 2.418 2.376 2.447 . 0 0 "[ . 1 . 2 .]" 1
275 1 15 ASP H 1 18 THR MG 4.000 . 5.000 4.168 4.130 4.183 . 0 0 "[ . 1 . 2 .]" 1
276 1 8 LEU MD2 1 16 LEU QB 5.000 . 7.000 4.158 4.078 4.264 . 0 0 "[ . 1 . 2 .]" 1
277 1 12 GLN HA 1 16 LEU H 4.000 . 5.000 3.632 3.566 3.685 . 0 0 "[ . 1 . 2 .]" 1
278 1 12 GLN QB 1 16 LEU H 4.000 . 5.000 4.471 4.458 4.481 . 0 0 "[ . 1 . 2 .]" 1
279 1 14 LYS HA 1 16 LEU H 4.000 . 5.000 4.578 4.446 4.621 . 0 0 "[ . 1 . 2 .]" 1
280 1 14 LYS QB 1 16 LEU H 5.000 . 7.000 5.361 5.212 5.407 . 0 0 "[ . 1 . 2 .]" 1
281 1 15 ASP QB 1 16 LEU HA 5.000 . 7.000 4.158 4.117 4.194 . 0 0 "[ . 1 . 2 .]" 1
282 1 15 ASP HA 1 16 LEU H 4.000 . 5.000 3.548 3.535 3.555 . 0 0 "[ . 1 . 2 .]" 1
283 1 15 ASP QB 1 16 LEU H 4.000 . 5.000 2.365 2.344 2.455 . 0 0 "[ . 1 . 2 .]" 1
284 1 16 LEU HA 1 16 LEU MD1 4.000 . 5.000 3.782 3.701 3.826 . 0 0 "[ . 1 . 2 .]" 1
285 1 16 LEU HA 1 16 LEU MD2 4.000 . 5.000 3.907 3.868 3.988 . 0 0 "[ . 1 . 2 .]" 1
286 1 16 LEU HA 1 16 LEU HG 4.000 . 5.000 3.466 3.430 3.506 . 0 0 "[ . 1 . 2 .]" 1
287 1 16 LEU QB 1 16 LEU MD2 3.000 . 3.300 1.957 1.888 1.992 . 0 0 "[ . 1 . 2 .]" 1
288 1 16 LEU H 1 16 LEU HA 3.000 . 3.300 2.831 2.825 2.846 . 0 0 "[ . 1 . 2 .]" 1
289 1 16 LEU H 1 16 LEU QB 3.000 . 3.300 2.103 2.086 2.134 . 0 0 "[ . 1 . 2 .]" 1
290 1 16 LEU H 1 16 LEU MD1 5.000 . 7.000 4.323 4.299 4.366 . 0 0 "[ . 1 . 2 .]" 1
291 1 16 LEU H 1 16 LEU MD2 4.000 . 5.000 2.539 2.438 2.762 . 0 0 "[ . 1 . 2 .]" 1
292 1 16 LEU H 1 16 LEU HG 4.000 . 5.000 3.706 3.555 3.818 . 0 0 "[ . 1 . 2 .]" 1
293 1 16 LEU H 1 17 LEU HA 4.000 . 5.000 5.072 5.059 5.086 0.086 16 0 "[ . 1 . 2 .]" 1
294 1 16 LEU H 1 17 LEU QB 5.000 . 7.000 4.212 4.175 4.250 . 0 0 "[ . 1 . 2 .]" 1
295 1 16 LEU H 1 17 LEU MD1 5.000 . 7.000 5.243 5.174 5.306 . 0 0 "[ . 1 . 2 .]" 1
296 1 16 LEU H 1 19 LYS QD 4.000 . 5.000 4.102 3.483 4.459 . 0 0 "[ . 1 . 2 .]" 1
297 1 16 LEU HA 1 35 LEU MD2 5.000 . 7.000 4.997 4.779 5.141 . 0 0 "[ . 1 . 2 .]" 1
298 1 16 LEU QB 1 35 LEU MD2 5.000 . 7.000 3.905 3.683 4.078 . 0 0 "[ . 1 . 2 .]" 1
299 1 16 LEU MD1 1 35 LEU MD1 3.000 . 3.300 2.313 2.302 2.322 . 0 0 "[ . 1 . 2 .]" 1
300 1 16 LEU MD1 1 35 LEU MD2 3.000 . 3.300 2.057 1.860 2.292 . 0 0 "[ . 1 . 2 .]" 1
301 1 16 LEU MD2 1 35 LEU MD1 4.000 . 5.000 1.648 1.616 1.670 0.184 23 0 "[ . 1 . 2 .]" 1
302 1 16 LEU MD2 1 35 LEU MD2 3.000 . 3.300 2.228 2.116 2.307 . 0 0 "[ . 1 . 2 .]" 1
303 1 16 LEU H 1 35 LEU MD1 5.000 . 7.000 4.935 4.827 4.987 . 0 0 "[ . 1 . 2 .]" 1
304 1 16 LEU H 1 35 LEU MD2 5.000 . 7.000 4.919 4.666 5.091 . 0 0 "[ . 1 . 2 .]" 1
305 1 14 LYS HA 1 17 LEU H 4.000 . 5.000 3.230 3.172 3.289 . 0 0 "[ . 1 . 2 .]" 1
306 1 15 ASP QB 1 17 LEU H 5.000 . 7.000 4.379 4.349 4.465 . 0 0 "[ . 1 . 2 .]" 1
307 1 16 LEU HA 1 17 LEU H 4.000 . 5.000 3.479 3.471 3.490 . 0 0 "[ . 1 . 2 .]" 1
308 1 16 LEU QB 1 17 LEU H 4.000 . 5.000 3.366 3.317 3.415 . 0 0 "[ . 1 . 2 .]" 1
309 1 16 LEU H 1 17 LEU H 3.000 . 3.300 2.475 2.454 2.486 . 0 0 "[ . 1 . 2 .]" 1
310 1 17 LEU HA 1 17 LEU MD1 4.000 . 5.000 3.794 3.782 3.821 . 0 0 "[ . 1 . 2 .]" 1
311 1 17 LEU HA 1 17 LEU MD2 2.400 . 2.700 1.930 1.893 1.996 . 0 0 "[ . 1 . 2 .]" 1
312 1 17 LEU HA 1 17 LEU HG 3.000 . 3.300 2.710 2.685 2.740 . 0 0 "[ . 1 . 2 .]" 1
313 1 17 LEU QB 1 17 LEU MD1 3.000 . 3.300 2.046 2.041 2.056 . 0 0 "[ . 1 . 2 .]" 1
314 1 17 LEU H 1 17 LEU HA 3.000 . 3.300 2.773 2.746 2.789 . 0 0 "[ . 1 . 2 .]" 1
315 1 17 LEU H 1 17 LEU QB 3.000 . 3.300 2.140 2.106 2.168 . 0 0 "[ . 1 . 2 .]" 1
316 1 17 LEU H 1 17 LEU MD1 4.000 . 5.000 3.704 3.656 3.753 . 0 0 "[ . 1 . 2 .]" 1
317 1 17 LEU H 1 17 LEU MD2 4.000 . 5.000 3.829 3.781 3.895 . 0 0 "[ . 1 . 2 .]" 1
318 1 17 LEU H 1 17 LEU HG 4.000 . 5.000 2.847 2.786 2.940 . 0 0 "[ . 1 . 2 .]" 1
319 1 17 LEU H 1 18 THR H 4.000 . 5.000 2.880 2.844 2.951 . 0 0 "[ . 1 . 2 .]" 1
320 1 17 LEU HA 1 20 ARG QB 4.000 . 5.000 3.137 2.554 4.006 . 0 0 "[ . 1 . 2 .]" 1
321 1 17 LEU HA 1 22 LEU QB 4.000 . 5.000 3.481 3.195 3.611 . 0 0 "[ . 1 . 2 .]" 1
322 1 17 LEU H 1 24 VAL MG1 4.000 . 5.000 3.818 3.662 3.905 . 0 0 "[ . 1 . 2 .]" 1
323 1 17 LEU HA 1 35 LEU MD2 4.000 . 5.000 2.178 2.014 2.262 . 0 0 "[ . 1 . 2 .]" 1
324 1 17 LEU H 1 35 LEU MD2 4.000 . 5.000 3.402 3.221 3.543 . 0 0 "[ . 1 . 2 .]" 1
325 1 14 LYS HA 1 18 THR H 4.000 . 5.000 3.898 3.863 3.921 . 0 0 "[ . 1 . 2 .]" 1
326 1 15 ASP HA 1 18 THR H 4.000 . 5.000 3.812 3.776 3.878 . 0 0 "[ . 1 . 2 .]" 1
327 1 16 LEU HA 1 18 THR H 4.000 . 5.000 4.683 4.624 4.711 . 0 0 "[ . 1 . 2 .]" 1
328 1 16 LEU H 1 18 THR H 4.000 . 5.000 4.547 4.494 4.565 . 0 0 "[ . 1 . 2 .]" 1
329 1 17 LEU HA 1 18 THR H 4.000 . 5.000 3.555 3.551 3.559 . 0 0 "[ . 1 . 2 .]" 1
330 1 17 LEU QB 1 18 THR H 4.000 . 5.000 2.313 2.299 2.325 . 0 0 "[ . 1 . 2 .]" 1
331 1 17 LEU MD1 1 18 THR H 4.000 . 5.000 4.198 4.190 4.204 . 0 0 "[ . 1 . 2 .]" 1
332 1 17 LEU MD2 1 18 THR H 5.000 . 7.000 4.428 4.404 4.469 . 0 0 "[ . 1 . 2 .]" 1
333 1 18 THR HA 1 18 THR HB 3.000 . 3.300 2.272 2.265 2.283 . 0 0 "[ . 1 . 2 .]" 1
334 1 18 THR H 1 18 THR HA 3.000 . 3.300 2.827 2.822 2.833 . 0 0 "[ . 1 . 2 .]" 1
335 1 18 THR H 1 18 THR HB 3.000 . 3.300 3.088 3.012 3.133 . 0 0 "[ . 1 . 2 .]" 1
336 1 18 THR H 1 18 THR MG 3.000 . 3.300 1.835 1.823 1.858 . 0 0 "[ . 1 . 2 .]" 1
337 1 18 THR HA 1 19 LYS HG3 5.000 . 7.000 5.925 5.250 6.823 . 0 0 "[ . 1 . 2 .]" 1
338 1 18 THR HA 1 20 ARG QB 5.000 . 7.000 5.001 4.767 5.474 . 0 0 "[ . 1 . 2 .]" 1
339 1 18 THR H 1 20 ARG H 4.000 . 5.000 3.962 3.834 4.140 . 0 0 "[ . 1 . 2 .]" 1
340 1 18 THR HA 1 24 VAL MG1 4.000 . 5.000 3.690 3.629 3.746 . 0 0 "[ . 1 . 2 .]" 1
341 1 18 THR HB 1 24 VAL MG1 5.000 . 7.000 3.098 2.978 3.205 . 0 0 "[ . 1 . 2 .]" 1
342 1 18 THR MG 1 24 VAL MG1 3.000 . 3.300 2.331 2.307 2.339 . 0 0 "[ . 1 . 2 .]" 1
343 1 18 THR H 1 24 VAL MG1 4.000 . 5.000 2.836 2.758 2.884 . 0 0 "[ . 1 . 2 .]" 1
344 1 18 THR MG 1 19 LYS HA 4.000 . 5.000 4.214 4.176 4.230 . 0 0 "[ . 1 . 2 .]" 1
345 1 18 THR HA 1 19 LYS H 4.000 . 5.000 3.486 3.468 3.525 . 0 0 "[ . 1 . 2 .]" 1
346 1 18 THR HB 1 19 LYS H 4.000 . 5.000 4.252 4.175 4.289 . 0 0 "[ . 1 . 2 .]" 1
347 1 18 THR MG 1 19 LYS H 3.000 . 3.300 2.372 2.196 2.469 . 0 0 "[ . 1 . 2 .]" 1
348 1 18 THR H 1 19 LYS H 3.000 . 3.300 2.537 2.492 2.621 . 0 0 "[ . 1 . 2 .]" 1
349 1 19 LYS HA 1 19 LYS QD 4.000 . 5.000 3.867 3.328 4.176 . 0 0 "[ . 1 . 2 .]" 1
350 1 19 LYS HA 1 19 LYS QE 5.000 . 7.000 4.339 2.126 4.792 . 0 0 "[ . 1 . 2 .]" 1
351 1 19 LYS HA 1 19 LYS QG 3.000 . 3.300 2.236 2.018 2.482 . 0 0 "[ . 1 . 2 .]" 1
352 1 19 LYS H 1 19 LYS HA 3.000 . 3.300 2.837 2.793 2.865 . 0 0 "[ . 1 . 2 .]" 1
353 1 19 LYS H 1 19 LYS QB 2.400 . 2.700 2.172 2.041 2.408 . 0 0 "[ . 1 . 2 .]" 1
354 1 19 LYS H 1 19 LYS QD 4.000 . 5.000 3.512 2.892 4.048 . 0 0 "[ . 1 . 2 .]" 1
355 1 19 LYS H 1 19 LYS QE 5.000 . 7.000 4.815 2.996 5.781 . 0 0 "[ . 1 . 2 .]" 1
356 1 19 LYS H 1 19 LYS QG 4.000 . 5.000 3.062 2.346 3.860 . 0 0 "[ . 1 . 2 .]" 1
357 1 19 LYS H 1 19 LYS HG3 4.000 . 5.000 3.160 2.370 4.153 . 0 0 "[ . 1 . 2 .]" 1
358 1 19 LYS H 1 20 ARG H 3.000 . 3.300 2.564 2.483 2.690 . 0 0 "[ . 1 . 2 .]" 1
359 1 16 LEU MD2 1 20 ARG QD 5.000 . 7.000 4.418 3.464 5.050 . 0 0 "[ . 1 . 2 .]" 1
360 1 16 LEU QB 1 20 ARG HE 4.000 . 5.000 4.292 3.992 4.502 . 0 0 "[ . 1 . 2 .]" 1
361 1 16 LEU MD1 1 20 ARG HE 3.000 . 3.300 2.023 1.843 2.225 . 0 0 "[ . 1 . 2 .]" 1
362 1 16 LEU MD2 1 20 ARG HE 4.000 . 5.000 3.802 3.514 3.993 . 0 0 "[ . 1 . 2 .]" 1
363 1 17 LEU MD2 1 20 ARG HE 4.000 . 5.000 4.196 4.176 4.216 . 0 0 "[ . 1 . 2 .]" 1
364 1 17 LEU HA 1 20 ARG H 4.000 . 5.000 3.452 3.402 3.577 . 0 0 "[ . 1 . 2 .]" 1
365 1 18 THR HA 1 20 ARG H 4.000 . 5.000 3.825 3.735 3.967 . 0 0 "[ . 1 . 2 .]" 1
366 1 19 LYS HA 1 20 ARG H 4.000 . 5.000 3.455 3.384 3.534 . 0 0 "[ . 1 . 2 .]" 1
367 1 19 LYS QB 1 20 ARG H 4.000 . 5.000 3.031 2.787 3.205 . 0 0 "[ . 1 . 2 .]" 1
368 1 19 LYS HG3 1 20 ARG H 5.000 . 7.000 4.871 4.515 5.055 . 0 0 "[ . 1 . 2 .]" 1
369 1 20 ARG HA 1 20 ARG QD 4.000 . 5.000 3.790 2.919 4.179 . 0 0 "[ . 1 . 2 .]" 1
370 1 20 ARG HA 1 20 ARG QG 3.000 . 3.300 2.538 2.014 3.152 . 0 0 "[ . 1 . 2 .]" 1
371 1 20 ARG QB 1 20 ARG QD 3.000 . 3.300 2.113 1.911 2.384 . 0 0 "[ . 1 . 2 .]" 1
372 1 20 ARG HA 1 20 ARG HE 5.000 . 7.000 5.351 4.781 5.990 . 0 0 "[ . 1 . 2 .]" 1
373 1 20 ARG QB 1 20 ARG HE 4.000 . 5.000 3.441 2.730 4.151 . 0 0 "[ . 1 . 2 .]" 1
374 1 20 ARG H 1 20 ARG QB 3.000 . 3.300 2.503 2.115 2.974 . 0 0 "[ . 1 . 2 .]" 1
375 1 20 ARG H 1 20 ARG QD 4.000 . 5.000 4.084 3.096 4.500 . 0 0 "[ . 1 . 2 .]" 1
376 1 20 ARG H 1 21 ASN HA 4.000 . 5.000 4.670 4.615 4.700 . 0 0 "[ . 1 . 2 .]" 1
377 1 20 ARG HA 1 22 LEU MD1 4.000 . 5.000 4.176 4.083 4.212 . 0 0 "[ . 1 . 2 .]" 1
378 1 20 ARG QB 1 22 LEU MD1 4.000 . 5.000 1.819 1.686 2.135 0.114 25 0 "[ . 1 . 2 .]" 1
379 1 20 ARG QD 1 22 LEU MD1 4.000 . 5.000 2.188 1.809 3.714 . 0 0 "[ . 1 . 2 .]" 1
380 1 20 ARG HE 1 22 LEU MD1 5.000 . 7.000 3.730 3.603 3.887 . 0 0 "[ . 1 . 2 .]" 1
381 1 20 ARG QG 1 22 LEU MD1 3.000 . 3.300 2.283 1.903 2.497 . 0 0 "[ . 1 . 2 .]" 1
382 1 20 ARG H 1 22 LEU MD1 5.000 . 7.000 3.913 3.700 4.100 . 0 0 "[ . 1 . 2 .]" 1
383 1 20 ARG QD 1 35 LEU MD2 3.000 . 3.300 2.144 1.805 2.498 . 0 0 "[ . 1 . 2 .]" 1
384 1 20 ARG HE 1 35 LEU MD2 3.000 . 3.300 1.809 1.737 1.866 0.063 13 0 "[ . 1 . 2 .]" 1
385 1 20 ARG QG 1 35 LEU MD2 4.000 . 5.000 3.210 2.165 3.736 . 0 0 "[ . 1 . 2 .]" 1
386 1 20 ARG HE 1 38 ASP QB 4.000 . 5.000 4.001 3.674 4.326 . 0 0 "[ . 1 . 2 .]" 1
387 1 17 LEU HA 1 21 ASN H 4.000 . 5.000 4.948 4.853 5.024 0.024 6 0 "[ . 1 . 2 .]" 1
388 1 19 LYS HA 1 21 ASN H 4.000 . 5.000 3.876 3.775 3.980 . 0 0 "[ . 1 . 2 .]" 1
389 1 19 LYS QB 1 21 ASN H 5.000 . 7.000 4.607 4.442 4.720 . 0 0 "[ . 1 . 2 .]" 1
390 1 20 ARG HA 1 21 ASN QD 5.000 . 7.000 5.125 3.159 6.099 . 0 0 "[ . 1 . 2 .]" 1
391 1 20 ARG HA 1 21 ASN H 4.000 . 5.000 3.373 3.342 3.387 . 0 0 "[ . 1 . 2 .]" 1
392 1 20 ARG QB 1 21 ASN H 4.000 . 5.000 3.179 3.090 3.349 . 0 0 "[ . 1 . 2 .]" 1
393 1 20 ARG QD 1 21 ASN H 5.000 . 7.000 5.213 4.852 5.391 . 0 0 "[ . 1 . 2 .]" 1
394 1 20 ARG QG 1 21 ASN H 5.000 . 7.000 4.082 3.435 4.653 . 0 0 "[ . 1 . 2 .]" 1
395 1 20 ARG H 1 21 ASN H 3.000 . 3.300 2.348 2.306 2.392 . 0 0 "[ . 1 . 2 .]" 1
396 1 21 ASN HA 1 21 ASN QD 4.000 . 5.000 3.511 2.235 4.165 . 0 0 "[ . 1 . 2 .]" 1
397 1 21 ASN H 1 21 ASN HA 2.400 . 2.700 2.330 2.290 2.370 . 0 0 "[ . 1 . 2 .]" 1
398 1 21 ASN H 1 21 ASN QD 5.000 . 7.000 4.625 2.920 5.425 . 0 0 "[ . 1 . 2 .]" 1
399 1 21 ASN H 1 22 LEU QB 4.000 . 5.000 4.447 4.236 4.481 . 0 0 "[ . 1 . 2 .]" 1
400 1 21 ASN H 1 22 LEU MD1 4.000 . 5.000 4.188 4.007 4.228 . 0 0 "[ . 1 . 2 .]" 1
401 1 20 ARG HA 1 22 LEU H 4.000 . 5.000 4.379 4.262 4.509 . 0 0 "[ . 1 . 2 .]" 1
402 1 21 ASN HA 1 22 LEU H 3.000 . 3.300 3.332 3.302 3.363 0.063 3 0 "[ . 1 . 2 .]" 1
403 1 21 ASN QB 1 22 LEU H 4.000 . 5.000 3.295 3.159 3.429 . 0 0 "[ . 1 . 2 .]" 1
404 1 21 ASN H 1 22 LEU H 3.000 . 3.300 2.458 2.318 2.546 . 0 0 "[ . 1 . 2 .]" 1
405 1 22 LEU QB 1 22 LEU MD1 3.000 . 3.300 1.920 1.887 1.972 . 0 0 "[ . 1 . 2 .]" 1
406 1 22 LEU HA 1 22 LEU HG 3.000 . 3.300 2.614 2.369 2.698 . 0 0 "[ . 1 . 2 .]" 1
407 1 22 LEU MD1 1 22 LEU HG 2.400 . 2.700 2.098 2.087 2.112 . 0 0 "[ . 1 . 2 .]" 1
408 1 22 LEU H 1 22 LEU HA 3.000 . 3.300 2.857 2.803 2.921 . 0 0 "[ . 1 . 2 .]" 1
409 1 22 LEU H 1 22 LEU QB 3.000 . 3.300 2.461 2.308 2.511 . 0 0 "[ . 1 . 2 .]" 1
410 1 22 LEU H 1 22 LEU MD1 3.000 . 3.300 2.686 2.560 2.771 . 0 0 "[ . 1 . 2 .]" 1
411 1 22 LEU H 1 22 LEU MD2 4.000 . 5.000 4.000 3.842 4.169 . 0 0 "[ . 1 . 2 .]" 1
412 1 22 LEU H 1 23 SER HA 4.000 . 5.000 4.958 4.774 5.020 0.020 6 0 "[ . 1 . 2 .]" 1
413 1 22 LEU H 1 23 SER H 4.000 . 5.000 3.603 3.069 4.278 . 0 0 "[ . 1 . 2 .]" 1
414 1 22 LEU MD1 1 35 LEU MD2 4.000 . 5.000 2.452 2.346 2.867 . 0 0 "[ . 1 . 2 .]" 1
415 1 17 LEU MD1 1 23 SER HA 5.000 . 7.000 4.709 4.676 4.761 . 0 0 "[ . 1 . 2 .]" 1
416 1 22 LEU QB 1 23 SER HA 5.000 . 7.000 4.033 3.949 4.147 . 0 0 "[ . 1 . 2 .]" 1
417 1 22 LEU MD2 1 23 SER QB 5.000 . 7.000 5.133 4.850 5.205 . 0 0 "[ . 1 . 2 .]" 1
418 1 22 LEU HA 1 23 SER H 4.000 . 5.000 3.339 2.890 3.535 . 0 0 "[ . 1 . 2 .]" 1
419 1 22 LEU QB 1 23 SER H 4.000 . 5.000 1.784 1.753 1.920 0.047 16 0 "[ . 1 . 2 .]" 1
420 1 22 LEU MD1 1 23 SER H 4.000 . 5.000 3.630 3.388 4.187 . 0 0 "[ . 1 . 2 .]" 1
421 1 22 LEU MD2 1 23 SER H 5.000 . 7.000 3.923 3.456 4.362 . 0 0 "[ . 1 . 2 .]" 1
422 1 22 LEU HG 1 23 SER H 4.000 . 5.000 4.349 4.261 4.472 . 0 0 "[ . 1 . 2 .]" 1
423 1 23 SER H 1 23 SER HA 3.000 . 3.300 2.750 2.576 2.935 . 0 0 "[ . 1 . 2 .]" 1
424 1 23 SER QB 1 24 VAL MG1 4.000 . 5.000 3.771 3.743 3.793 . 0 0 "[ . 1 . 2 .]" 1
425 1 23 SER QB 1 24 VAL MG2 4.000 . 5.000 3.734 3.711 3.756 . 0 0 "[ . 1 . 2 .]" 1
426 1 23 SER H 1 34 ARG QD 4.000 . 5.000 3.193 2.819 4.249 . 0 0 "[ . 1 . 2 .]" 1
427 1 23 SER H 1 34 ARG QG 5.000 . 7.000 5.073 4.634 6.241 . 0 0 "[ . 1 . 2 .]" 1
428 1 14 LYS QG 1 24 VAL HB 4.000 . 5.000 4.209 3.936 4.295 . 0 0 "[ . 1 . 2 .]" 1
429 1 17 LEU MD1 1 24 VAL HA 3.000 . 3.300 2.038 1.989 2.087 . 0 0 "[ . 1 . 2 .]" 1
430 1 17 LEU MD1 1 24 VAL HB 3.000 . 3.300 2.802 2.794 2.815 . 0 0 "[ . 1 . 2 .]" 1
431 1 17 LEU MD1 1 24 VAL MG1 3.000 . 3.300 1.936 1.890 1.997 . 0 0 "[ . 1 . 2 .]" 1
432 1 17 LEU MD1 1 24 VAL MG2 5.000 . 7.000 3.929 3.915 3.947 . 0 0 "[ . 1 . 2 .]" 1
433 1 17 LEU MD1 1 24 VAL H 4.000 . 5.000 4.197 4.189 4.211 . 0 0 "[ . 1 . 2 .]" 1
434 1 23 SER HA 1 24 VAL H 4.000 . 5.000 2.583 2.521 2.663 . 0 0 "[ . 1 . 2 .]" 1
435 1 23 SER QB 1 24 VAL H 5.000 . 7.000 1.913 1.873 1.942 . 0 0 "[ . 1 . 2 .]" 1
436 1 24 VAL HA 1 24 VAL HB 3.000 . 3.300 2.352 2.344 2.360 . 0 0 "[ . 1 . 2 .]" 1
437 1 24 VAL HA 1 24 VAL MG1 3.000 . 3.300 2.518 2.491 2.531 . 0 0 "[ . 1 . 2 .]" 1
438 1 24 VAL HB 1 24 VAL MG1 2.400 . 2.700 2.120 2.116 2.124 . 0 0 "[ . 1 . 2 .]" 1
439 1 24 VAL H 1 24 VAL HA 3.000 . 3.300 2.934 2.929 2.938 . 0 0 "[ . 1 . 2 .]" 1
440 1 24 VAL H 1 24 VAL HB 4.000 . 5.000 3.840 3.820 3.852 . 0 0 "[ . 1 . 2 .]" 1
441 1 24 VAL H 1 24 VAL MG1 3.000 . 3.300 2.498 2.446 2.537 . 0 0 "[ . 1 . 2 .]" 1
442 1 24 VAL H 1 24 VAL MG2 3.000 . 3.300 2.301 2.265 2.331 . 0 0 "[ . 1 . 2 .]" 1
443 1 24 VAL H 1 25 GLY QA 4.000 . 5.000 3.762 3.723 3.802 . 0 0 "[ . 1 . 2 .]" 1
444 1 17 LEU MD1 1 25 GLY H 5.000 . 7.000 4.821 4.798 4.849 . 0 0 "[ . 1 . 2 .]" 1
445 1 23 SER HA 1 25 GLY QA 5.000 . 7.000 5.849 5.770 5.959 . 0 0 "[ . 1 . 2 .]" 1
446 1 23 SER HA 1 25 GLY H 4.000 . 5.000 4.186 4.103 4.289 . 0 0 "[ . 1 . 2 .]" 1
447 1 23 SER QB 1 25 GLY H 4.000 . 5.000 2.264 2.107 2.434 . 0 0 "[ . 1 . 2 .]" 1
448 1 24 VAL MG2 1 25 GLY QA 5.000 . 7.000 3.139 3.132 3.156 . 0 0 "[ . 1 . 2 .]" 1
449 1 24 VAL HA 1 25 GLY H 3.000 . 3.300 3.274 3.261 3.285 . 0 0 "[ . 1 . 2 .]" 1
450 1 24 VAL HB 1 25 GLY H 4.000 . 5.000 4.433 4.427 4.439 . 0 0 "[ . 1 . 2 .]" 1
451 1 24 VAL MG1 1 25 GLY H 4.000 . 5.000 3.974 3.955 3.991 . 0 0 "[ . 1 . 2 .]" 1
452 1 24 VAL MG2 1 25 GLY H 3.000 . 3.300 2.785 2.772 2.800 . 0 0 "[ . 1 . 2 .]" 1
453 1 24 VAL H 1 25 GLY H 3.000 . 3.300 1.914 1.857 1.974 . 0 0 "[ . 1 . 2 .]" 1
454 1 25 GLY H 1 34 ARG QH 4.000 . 5.000 3.697 2.176 3.977 . 0 0 "[ . 1 . 2 .]" 1
455 1 25 GLY QA 1 26 GLY H 3.000 . 3.300 2.499 2.472 2.572 . 0 0 "[ . 1 . 2 .]" 1
456 1 25 GLY H 1 26 GLY H 5.000 . 7.000 3.677 3.542 3.741 . 0 0 "[ . 1 . 2 .]" 1
457 1 26 GLY H 1 27 LEU HA 5.000 . 7.000 4.117 4.095 4.144 . 0 0 "[ . 1 . 2 .]" 1
458 1 26 GLY H 1 27 LEU MD1 5.000 . 7.000 5.851 5.844 5.860 . 0 0 "[ . 1 . 2 .]" 1
459 1 26 GLY H 1 27 LEU MD2 4.000 . 5.000 4.057 4.036 4.094 . 0 0 "[ . 1 . 2 .]" 1
460 1 26 GLY H 1 27 LEU H 4.000 . 5.000 3.013 2.921 3.083 . 0 0 "[ . 1 . 2 .]" 1
461 1 26 GLY QA 1 34 ARG QB 5.000 . 7.000 5.598 5.583 5.626 . 0 0 "[ . 1 . 2 .]" 1
462 1 26 GLY QA 1 27 LEU H 4.000 . 5.000 2.232 2.224 2.247 . 0 0 "[ . 1 . 2 .]" 1
463 1 27 LEU HA 1 27 LEU MD1 3.000 . 3.300 2.385 2.339 2.417 . 0 0 "[ . 1 . 2 .]" 1
464 1 27 LEU HA 1 27 LEU MD2 2.400 . 2.700 1.790 1.762 1.812 0.038 4 0 "[ . 1 . 2 .]" 1
465 1 27 LEU HA 1 27 LEU HG 4.000 . 5.000 3.605 3.597 3.610 . 0 0 "[ . 1 . 2 .]" 1
466 1 27 LEU QB 1 27 LEU MD1 3.000 . 3.300 2.163 2.142 2.178 . 0 0 "[ . 1 . 2 .]" 1
467 1 27 LEU H 1 27 LEU HA 3.000 . 3.300 2.730 2.713 2.739 . 0 0 "[ . 1 . 2 .]" 1
468 1 27 LEU H 1 27 LEU QB 3.000 . 3.300 3.015 3.007 3.031 . 0 0 "[ . 1 . 2 .]" 1
469 1 27 LEU H 1 27 LEU MD1 5.000 . 7.000 4.503 4.485 4.513 . 0 0 "[ . 1 . 2 .]" 1
470 1 27 LEU H 1 27 LEU MD2 4.000 . 5.000 3.719 3.686 3.735 . 0 0 "[ . 1 . 2 .]" 1
471 1 27 LEU H 1 27 LEU HG 5.000 . 7.000 5.260 5.256 5.267 . 0 0 "[ . 1 . 2 .]" 1
472 1 27 LEU HA 1 28 LYS QG 5.000 . 7.000 5.572 5.435 5.683 . 0 0 "[ . 1 . 2 .]" 1
473 1 27 LEU H 1 28 LYS H 4.000 . 5.000 4.305 4.287 4.320 . 0 0 "[ . 1 . 2 .]" 1
474 1 27 LEU H 1 30 GLU QB 4.000 . 5.000 2.449 2.225 3.508 . 0 0 "[ . 1 . 2 .]" 1
475 1 27 LEU H 1 30 GLU QG 4.000 . 5.000 3.723 1.811 4.263 . 0 0 "[ . 1 . 2 .]" 1
476 1 27 LEU H 1 30 GLU H 4.000 . 5.000 3.921 3.853 4.132 . 0 0 "[ . 1 . 2 .]" 1
477 1 9 THR HA 1 28 LYS QG 4.000 . 5.000 4.446 4.358 4.469 . 0 0 "[ . 1 . 2 .]" 1
478 1 13 LEU MD1 1 28 LYS HA 4.000 . 5.000 4.092 3.902 4.168 . 0 0 "[ . 1 . 2 .]" 1
479 1 13 LEU MD1 1 28 LYS QE 3.000 . 3.300 2.356 1.958 2.451 . 0 0 "[ . 1 . 2 .]" 1
480 1 27 LEU HA 1 28 LYS H 4.000 . 5.000 2.450 2.407 2.476 . 0 0 "[ . 1 . 2 .]" 1
481 1 27 LEU MD1 1 28 LYS H 4.000 . 5.000 1.811 1.794 1.826 0.006 25 0 "[ . 1 . 2 .]" 1
482 1 27 LEU MD2 1 28 LYS H 4.000 . 5.000 3.460 3.416 3.505 . 0 0 "[ . 1 . 2 .]" 1
483 1 28 LYS HA 1 28 LYS QG 3.000 . 3.300 2.273 2.230 2.322 . 0 0 "[ . 1 . 2 .]" 1
484 1 28 LYS QB 1 28 LYS QE 4.000 . 5.000 3.507 3.275 3.640 . 0 0 "[ . 1 . 2 .]" 1
485 1 28 LYS H 1 28 LYS HA 3.000 . 3.300 2.743 2.740 2.747 . 0 0 "[ . 1 . 2 .]" 1
486 1 28 LYS H 1 28 LYS QB 2.400 . 2.700 2.104 2.071 2.146 . 0 0 "[ . 1 . 2 .]" 1
487 1 28 LYS H 1 28 LYS QD 4.000 . 5.000 4.334 4.245 4.433 . 0 0 "[ . 1 . 2 .]" 1
488 1 28 LYS H 1 28 LYS QG 4.000 . 5.000 3.728 3.604 3.819 . 0 0 "[ . 1 . 2 .]" 1
489 1 27 LEU MD1 1 29 ASN QB 5.000 . 7.000 4.290 3.777 4.601 . 0 0 "[ . 1 . 2 .]" 1
490 1 27 LEU MD1 1 29 ASN QD 5.000 . 7.000 4.552 2.600 5.207 . 0 0 "[ . 1 . 2 .]" 1
491 1 27 LEU QB 1 29 ASN H 4.000 . 5.000 2.966 2.909 3.010 . 0 0 "[ . 1 . 2 .]" 1
492 1 27 LEU MD1 1 29 ASN H 4.000 . 5.000 2.980 2.888 3.041 . 0 0 "[ . 1 . 2 .]" 1
493 1 28 LYS HA 1 29 ASN H 4.000 . 5.000 3.580 3.572 3.588 . 0 0 "[ . 1 . 2 .]" 1
494 1 28 LYS QB 1 29 ASN H 4.000 . 5.000 2.208 2.176 2.262 . 0 0 "[ . 1 . 2 .]" 1
495 1 28 LYS QG 1 29 ASN H 5.000 . 7.000 3.934 3.797 4.081 . 0 0 "[ . 1 . 2 .]" 1
496 1 28 LYS H 1 29 ASN H 3.000 . 3.300 3.041 3.018 3.057 . 0 0 "[ . 1 . 2 .]" 1
497 1 29 ASN HA 1 29 ASN QD 4.000 . 5.000 4.051 3.860 4.311 . 0 0 "[ . 1 . 2 .]" 1
498 1 29 ASN H 1 29 ASN HA 3.000 . 3.300 2.783 2.775 2.789 . 0 0 "[ . 1 . 2 .]" 1
499 1 29 ASN H 1 29 ASN QB 3.000 . 3.300 2.438 2.210 2.625 . 0 0 "[ . 1 . 2 .]" 1
500 1 29 ASN H 1 29 ASN QD 5.000 . 7.000 3.849 1.970 4.301 . 0 0 "[ . 1 . 2 .]" 1
501 1 29 ASN QD 1 30 GLU QG 4.000 . 5.000 2.921 2.071 3.927 . 0 0 "[ . 1 . 2 .]" 1
502 1 29 ASN H 1 30 GLU QB 4.000 . 5.000 4.474 4.458 4.521 . 0 0 "[ . 1 . 2 .]" 1
503 1 29 ASN H 1 30 GLU QG 5.000 . 7.000 5.142 4.993 5.209 . 0 0 "[ . 1 . 2 .]" 1
504 1 29 ASN H 1 30 GLU H 3.000 . 3.300 2.741 2.720 2.763 . 0 0 "[ . 1 . 2 .]" 1
505 1 29 ASN H 1 31 TRP QB 5.000 . 7.000 4.676 4.609 4.708 . 0 0 "[ . 1 . 2 .]" 1
506 1 29 ASN H 1 31 TRP H 4.000 . 5.000 3.858 3.812 3.880 . 0 0 "[ . 1 . 2 .]" 1
507 1 29 ASN HA 1 32 VAL HB 4.000 . 5.000 3.898 3.128 4.129 . 0 0 "[ . 1 . 2 .]" 1
508 1 29 ASN HA 1 32 VAL QG 3.000 . 3.300 2.044 1.934 2.453 . 0 0 "[ . 1 . 2 .]" 1
509 1 29 ASN H 1 32 VAL QG 5.000 . 7.000 4.108 4.019 4.153 . 0 0 "[ . 1 . 2 .]" 1
510 1 29 ASN QD 1 33 GLN QG 5.000 . 7.000 4.501 3.536 5.566 . 0 0 "[ . 1 . 2 .]" 1
511 1 27 LEU QB 1 30 GLU QG 4.000 . 5.000 2.989 2.767 3.143 . 0 0 "[ . 1 . 2 .]" 1
512 1 27 LEU MD1 1 30 GLU QG 5.000 . 7.000 5.108 4.708 5.195 . 0 0 "[ . 1 . 2 .]" 1
513 1 27 LEU QB 1 30 GLU H 4.000 . 5.000 2.579 2.541 2.627 . 0 0 "[ . 1 . 2 .]" 1
514 1 27 LEU MD1 1 30 GLU H 5.000 . 7.000 4.142 4.088 4.192 . 0 0 "[ . 1 . 2 .]" 1
515 1 27 LEU HG 1 30 GLU H 4.000 . 5.000 5.046 5.017 5.070 0.070 1 0 "[ . 1 . 2 .]" 1
516 1 28 LYS HA 1 30 GLU H 5.000 . 7.000 4.508 4.479 4.550 . 0 0 "[ . 1 . 2 .]" 1
517 1 29 ASN HA 1 30 GLU H 4.000 . 5.000 3.530 3.527 3.533 . 0 0 "[ . 1 . 2 .]" 1
518 1 29 ASN QB 1 30 GLU H 4.000 . 5.000 3.081 2.540 3.338 . 0 0 "[ . 1 . 2 .]" 1
519 1 30 GLU H 1 30 GLU HA 3.000 . 3.300 2.834 2.829 2.843 . 0 0 "[ . 1 . 2 .]" 1
520 1 30 GLU H 1 30 GLU QB 3.000 . 3.300 2.122 2.056 2.153 . 0 0 "[ . 1 . 2 .]" 1
521 1 30 GLU H 1 30 GLU QG 3.000 . 3.300 2.948 2.917 3.016 . 0 0 "[ . 1 . 2 .]" 1
522 1 30 GLU H 1 31 TRP QB 4.000 . 5.000 4.474 4.456 4.485 . 0 0 "[ . 1 . 2 .]" 1
523 1 30 GLU H 1 31 TRP HD1 5.000 . 7.000 5.000 4.847 5.113 . 0 0 "[ . 1 . 2 .]" 1
524 1 30 GLU H 1 32 VAL QG 5.000 . 7.000 4.219 4.103 4.661 . 0 0 "[ . 1 . 2 .]" 1
525 1 30 GLU QB 1 34 ARG QG 5.000 . 7.000 4.086 2.894 5.007 . 0 0 "[ . 1 . 2 .]" 1
526 1 10 VAL HA 1 31 TRP HE3 3.000 . 3.300 2.673 2.591 2.739 . 0 0 "[ . 1 . 2 .]" 1
527 1 10 VAL MG1 1 31 TRP HE3 5.000 . 7.000 3.619 3.435 3.708 . 0 0 "[ . 1 . 2 .]" 1
528 1 10 VAL HA 1 31 TRP HH2 4.000 . 5.000 4.738 4.712 4.763 . 0 0 "[ . 1 . 2 .]" 1
529 1 10 VAL HB 1 31 TRP HH2 3.000 . 3.300 3.320 3.304 3.329 0.029 9 0 "[ . 1 . 2 .]" 1
530 1 10 VAL MG1 1 31 TRP HH2 4.000 . 5.000 4.170 4.167 4.173 . 0 0 "[ . 1 . 2 .]" 1
531 1 10 VAL HA 1 31 TRP HZ3 5.000 . 7.000 2.331 2.305 2.362 . 0 0 "[ . 1 . 2 .]" 1
532 1 10 VAL MG1 1 31 TRP HZ3 4.000 . 5.000 2.932 2.875 2.972 . 0 0 "[ . 1 . 2 .]" 1
533 1 11 VAL HA 1 31 TRP HZ3 4.000 . 5.000 4.477 4.392 4.538 . 0 0 "[ . 1 . 2 .]" 1
534 1 13 LEU QB 1 31 TRP HE3 4.000 . 5.000 1.842 1.782 1.894 0.018 25 0 "[ . 1 . 2 .]" 1
535 1 13 LEU MD2 1 31 TRP HE3 4.000 . 5.000 2.356 2.128 2.800 . 0 0 "[ . 1 . 2 .]" 1
536 1 13 LEU HG 1 31 TRP HE3 4.000 . 5.000 4.336 4.176 4.508 . 0 0 "[ . 1 . 2 .]" 1
537 1 14 LYS HA 1 31 TRP HE3 5.000 . 7.000 4.387 4.316 4.419 . 0 0 "[ . 1 . 2 .]" 1
538 1 14 LYS QG 1 31 TRP HE3 4.000 . 5.000 4.465 4.001 4.531 . 0 0 "[ . 1 . 2 .]" 1
539 1 14 LYS QB 1 31 TRP HH2 3.000 . 3.300 2.740 2.696 2.763 . 0 0 "[ . 1 . 2 .]" 1
540 1 14 LYS QD 1 31 TRP HH2 5.000 . 7.000 2.587 2.318 4.168 . 0 0 "[ . 1 . 2 .]" 1
541 1 14 LYS QE 1 31 TRP HH2 3.000 . 3.300 2.870 2.765 2.931 . 0 0 "[ . 1 . 2 .]" 1
542 1 14 LYS QG 1 31 TRP HH2 4.000 . 5.000 3.674 2.596 3.924 . 0 0 "[ . 1 . 2 .]" 1
543 1 14 LYS QE 1 31 TRP HZ2 4.000 . 5.000 3.290 3.161 3.645 . 0 0 "[ . 1 . 2 .]" 1
544 1 14 LYS QG 1 31 TRP HZ2 5.000 . 7.000 5.011 4.290 5.198 . 0 0 "[ . 1 . 2 .]" 1
545 1 14 LYS QB 1 31 TRP HZ3 3.000 . 3.300 2.882 2.761 2.975 . 0 0 "[ . 1 . 2 .]" 1
546 1 14 LYS QD 1 31 TRP HZ3 4.000 . 5.000 3.362 3.144 4.511 . 0 0 "[ . 1 . 2 .]" 1
547 1 14 LYS QE 1 31 TRP HZ3 4.000 . 5.000 4.456 4.268 4.484 . 0 0 "[ . 1 . 2 .]" 1
548 1 14 LYS QG 1 31 TRP HZ3 5.000 . 7.000 3.236 2.480 3.375 . 0 0 "[ . 1 . 2 .]" 1
549 1 17 LEU MD1 1 31 TRP HA 4.000 . 5.000 2.447 2.285 2.502 . 0 0 "[ . 1 . 2 .]" 1
550 1 17 LEU MD2 1 31 TRP HA 4.000 . 5.000 2.905 2.706 2.987 . 0 0 "[ . 1 . 2 .]" 1
551 1 17 LEU MD1 1 31 TRP QB 4.000 . 5.000 2.125 2.073 2.166 . 0 0 "[ . 1 . 2 .]" 1
552 1 17 LEU MD1 1 31 TRP HD1 3.000 . 3.300 2.317 2.206 2.448 . 0 0 "[ . 1 . 2 .]" 1
553 1 17 LEU MD2 1 31 TRP HD1 4.000 . 5.000 3.689 3.613 3.780 . 0 0 "[ . 1 . 2 .]" 1
554 1 17 LEU MD1 1 31 TRP HE1 4.000 . 5.000 3.166 3.110 3.235 . 0 0 "[ . 1 . 2 .]" 1
555 1 17 LEU MD2 1 31 TRP HE1 5.000 . 7.000 5.000 4.944 5.053 . 0 0 "[ . 1 . 2 .]" 1
556 1 17 LEU MD1 1 31 TRP HE3 4.000 . 5.000 3.431 3.330 3.513 . 0 0 "[ . 1 . 2 .]" 1
557 1 17 LEU MD2 1 31 TRP HE3 5.000 . 7.000 5.805 5.701 5.869 . 0 0 "[ . 1 . 2 .]" 1
558 1 17 LEU MD1 1 31 TRP HH2 5.000 . 7.000 4.987 4.901 5.067 . 0 0 "[ . 1 . 2 .]" 1
559 1 17 LEU MD1 1 31 TRP H 5.000 . 7.000 4.283 4.136 4.358 . 0 0 "[ . 1 . 2 .]" 1
560 1 17 LEU MD1 1 31 TRP HZ2 4.000 . 5.000 4.209 4.195 4.230 . 0 0 "[ . 1 . 2 .]" 1
561 1 17 LEU MD1 1 31 TRP HZ3 5.000 . 7.000 4.690 4.558 4.799 . 0 0 "[ . 1 . 2 .]" 1
562 1 23 SER QB 1 31 TRP HD1 5.000 . 7.000 5.935 5.811 6.147 . 0 0 "[ . 1 . 2 .]" 1
563 1 24 VAL HB 1 31 TRP HD1 5.000 . 7.000 4.923 4.866 4.989 . 0 0 "[ . 1 . 2 .]" 1
564 1 24 VAL MG1 1 31 TRP HD1 5.000 . 7.000 4.958 4.927 4.985 . 0 0 "[ . 1 . 2 .]" 1
565 1 24 VAL HB 1 31 TRP HE1 4.000 . 5.000 3.201 3.149 3.269 . 0 0 "[ . 1 . 2 .]" 1
566 1 24 VAL MG1 1 31 TRP HE1 4.000 . 5.000 4.205 4.191 4.230 . 0 0 "[ . 1 . 2 .]" 1
567 1 24 VAL HB 1 31 TRP HE3 5.000 . 7.000 5.348 5.259 5.404 . 0 0 "[ . 1 . 2 .]" 1
568 1 24 VAL HB 1 31 TRP HH2 5.000 . 7.000 3.859 3.755 3.909 . 0 0 "[ . 1 . 2 .]" 1
569 1 24 VAL MG1 1 31 TRP HH2 5.000 . 7.000 4.889 4.809 4.934 . 0 0 "[ . 1 . 2 .]" 1
570 1 24 VAL HB 1 31 TRP HZ2 4.000 . 5.000 2.561 2.538 2.581 . 0 0 "[ . 1 . 2 .]" 1
571 1 24 VAL MG1 1 31 TRP HZ2 4.000 . 5.000 4.199 4.179 4.218 . 0 0 "[ . 1 . 2 .]" 1
572 1 24 VAL MG2 1 31 TRP HZ2 4.000 . 5.000 2.861 2.792 2.897 . 0 0 "[ . 1 . 2 .]" 1
573 1 25 GLY QA 1 31 TRP HE1 4.000 . 5.000 4.024 4.000 4.050 . 0 0 "[ . 1 . 2 .]" 1
574 1 27 LEU HA 1 31 TRP HH2 4.000 . 5.000 4.699 4.632 4.783 . 0 0 "[ . 1 . 2 .]" 1
575 1 27 LEU MD2 1 31 TRP HZ2 4.000 . 5.000 4.213 4.203 4.228 . 0 0 "[ . 1 . 2 .]" 1
576 1 28 LYS HA 1 31 TRP QB 4.000 . 5.000 2.223 2.108 2.299 . 0 0 "[ . 1 . 2 .]" 1
577 1 28 LYS HA 1 31 TRP HD1 5.000 . 7.000 5.017 4.926 5.075 . 0 0 "[ . 1 . 2 .]" 1
578 1 28 LYS HA 1 31 TRP HE3 4.000 . 5.000 2.435 2.338 2.555 . 0 0 "[ . 1 . 2 .]" 1
579 1 28 LYS QB 1 31 TRP HE3 4.000 . 5.000 4.092 3.868 4.235 . 0 0 "[ . 1 . 2 .]" 1
580 1 28 LYS QG 1 31 TRP HE3 3.000 . 3.300 2.940 2.864 2.957 . 0 0 "[ . 1 . 2 .]" 1
581 1 28 LYS HA 1 31 TRP H 4.000 . 5.000 3.288 3.244 3.323 . 0 0 "[ . 1 . 2 .]" 1
582 1 28 LYS QG 1 31 TRP H 5.000 . 7.000 4.789 4.694 4.850 . 0 0 "[ . 1 . 2 .]" 1
583 1 28 LYS H 1 31 TRP H 4.000 . 5.000 4.373 4.326 4.398 . 0 0 "[ . 1 . 2 .]" 1
584 1 30 GLU HA 1 31 TRP HD1 5.000 . 7.000 5.130 4.944 5.314 . 0 0 "[ . 1 . 2 .]" 1
585 1 30 GLU QB 1 31 TRP HD1 4.000 . 5.000 3.354 3.030 4.457 . 0 0 "[ . 1 . 2 .]" 1
586 1 30 GLU QG 1 31 TRP HD1 5.000 . 7.000 4.921 2.239 5.395 . 0 0 "[ . 1 . 2 .]" 1
587 1 30 GLU QB 1 31 TRP HE1 5.000 . 7.000 4.374 4.049 5.486 . 0 0 "[ . 1 . 2 .]" 1
588 1 30 GLU QB 1 31 TRP H 4.000 . 5.000 2.942 2.833 3.440 . 0 0 "[ . 1 . 2 .]" 1
589 1 30 GLU H 1 31 TRP H 3.000 . 3.300 2.513 2.473 2.526 . 0 0 "[ . 1 . 2 .]" 1
590 1 31 TRP HA 1 31 TRP HD1 3.000 . 3.300 2.057 2.024 2.127 . 0 0 "[ . 1 . 2 .]" 1
591 1 31 TRP HA 1 31 TRP HE1 4.000 . 5.000 4.549 4.524 4.603 . 0 0 "[ . 1 . 2 .]" 1
592 1 31 TRP H 1 31 TRP HE1 5.000 . 7.000 4.954 4.855 5.040 . 0 0 "[ . 1 . 2 .]" 1
593 1 31 TRP HA 1 31 TRP HE3 5.000 . 7.000 5.234 5.194 5.256 . 0 0 "[ . 1 . 2 .]" 1
594 1 31 TRP H 1 31 TRP HA 3.000 . 3.300 2.842 2.837 2.848 . 0 0 "[ . 1 . 2 .]" 1
595 1 31 TRP H 1 31 TRP QB 3.000 . 3.300 2.321 2.310 2.336 . 0 0 "[ . 1 . 2 .]" 1
596 1 31 TRP H 1 31 TRP HD1 3.000 . 3.300 3.180 3.060 3.267 . 0 0 "[ . 1 . 2 .]" 1
597 1 31 TRP H 1 31 TRP HE3 4.000 . 5.000 4.793 4.739 4.851 . 0 0 "[ . 1 . 2 .]" 1
598 1 31 TRP HA 1 31 TRP HZ2 5.000 . 7.000 6.707 6.691 6.737 . 0 0 "[ . 1 . 2 .]" 1
599 1 31 TRP QB 1 32 VAL HB 5.000 . 7.000 4.311 4.169 4.981 . 0 0 "[ . 1 . 2 .]" 1
600 1 31 TRP H 1 32 VAL QG 4.000 . 5.000 3.710 3.688 3.749 . 0 0 "[ . 1 . 2 .]" 1
601 1 31 TRP HD1 1 34 ARG QB 4.000 . 5.000 4.351 3.450 4.488 . 0 0 "[ . 1 . 2 .]" 1
602 1 31 TRP HD1 1 34 ARG QD 4.000 . 5.000 2.779 2.449 4.139 . 0 0 "[ . 1 . 2 .]" 1
603 1 31 TRP HD1 1 34 ARG QG 4.000 . 5.000 3.169 3.112 3.301 . 0 0 "[ . 1 . 2 .]" 1
604 1 31 TRP HD1 1 34 ARG QH 4.000 . 5.000 3.747 2.187 3.983 . 0 0 "[ . 1 . 2 .]" 1
605 1 31 TRP HE1 1 34 ARG QH 5.000 . 7.000 4.159 2.057 4.594 . 0 0 "[ . 1 . 2 .]" 1
606 1 31 TRP QB 1 35 LEU MD1 4.000 . 5.000 2.722 2.614 2.859 . 0 0 "[ . 1 . 2 .]" 1
607 1 31 TRP HE3 1 35 LEU MD1 5.000 . 7.000 4.802 4.670 4.903 . 0 0 "[ . 1 . 2 .]" 1
608 1 13 LEU MD2 1 32 VAL H 4.000 . 5.000 2.528 2.435 2.780 . 0 0 "[ . 1 . 2 .]" 1
609 1 17 LEU MD1 1 32 VAL H 5.000 . 7.000 4.932 4.872 5.016 . 0 0 "[ . 1 . 2 .]" 1
610 1 28 LYS HA 1 32 VAL H 4.000 . 5.000 4.007 3.901 4.151 . 0 0 "[ . 1 . 2 .]" 1
611 1 28 LYS QG 1 32 VAL H 4.000 . 5.000 4.391 4.247 4.461 . 0 0 "[ . 1 . 2 .]" 1
612 1 30 GLU HA 1 32 VAL H 4.000 . 5.000 4.574 4.110 4.703 . 0 0 "[ . 1 . 2 .]" 1
613 1 30 GLU H 1 32 VAL H 4.000 . 5.000 4.302 4.043 4.381 . 0 0 "[ . 1 . 2 .]" 1
614 1 31 TRP HA 1 32 VAL H 4.000 . 5.000 3.554 3.494 3.570 . 0 0 "[ . 1 . 2 .]" 1
615 1 31 TRP QB 1 32 VAL H 4.000 . 5.000 2.520 2.440 2.689 . 0 0 "[ . 1 . 2 .]" 1
616 1 31 TRP HD1 1 32 VAL H 4.000 . 5.000 5.004 4.934 5.023 0.023 1 0 "[ . 1 . 2 .]" 1
617 1 31 TRP HE3 1 32 VAL H 5.000 . 7.000 5.279 5.167 5.496 . 0 0 "[ . 1 . 2 .]" 1
618 1 32 VAL HA 1 32 VAL HB 3.000 . 3.300 2.542 2.444 3.022 . 0 0 "[ . 1 . 2 .]" 1
619 1 32 VAL HA 1 32 VAL QG 3.000 . 3.300 2.296 2.061 2.346 . 0 0 "[ . 1 . 2 .]" 1
620 1 32 VAL H 1 32 VAL HA 3.000 . 3.300 2.821 2.808 2.834 . 0 0 "[ . 1 . 2 .]" 1
621 1 32 VAL H 1 32 VAL HB 3.000 . 3.300 2.610 2.581 2.711 . 0 0 "[ . 1 . 2 .]" 1
622 1 32 VAL H 1 32 VAL QG 3.000 . 3.300 2.082 1.863 2.138 . 0 0 "[ . 1 . 2 .]" 1
623 1 32 VAL H 1 33 GLN H 3.000 . 3.300 2.595 2.564 2.646 . 0 0 "[ . 1 . 2 .]" 1
624 1 32 VAL HA 1 35 LEU QB 3.000 . 3.300 2.630 2.438 2.963 . 0 0 "[ . 1 . 2 .]" 1
625 1 32 VAL HA 1 35 LEU MD1 3.000 . 3.300 2.492 2.396 2.711 . 0 0 "[ . 1 . 2 .]" 1
626 1 32 VAL HA 1 35 LEU HG 4.000 . 5.000 3.858 3.636 4.031 . 0 0 "[ . 1 . 2 .]" 1
627 1 32 VAL QG 1 35 LEU MD1 5.000 . 7.000 3.686 3.326 3.779 . 0 0 "[ . 1 . 2 .]" 1
628 1 32 VAL H 1 35 LEU MD1 4.000 . 5.000 4.101 4.007 4.207 . 0 0 "[ . 1 . 2 .]" 1
629 1 32 VAL HB 1 36 ILE MD 5.000 . 7.000 4.070 3.296 4.235 . 0 0 "[ . 1 . 2 .]" 1
630 1 30 GLU HA 1 33 GLN H 4.000 . 5.000 3.474 3.223 3.569 . 0 0 "[ . 1 . 2 .]" 1
631 1 31 TRP HA 1 33 GLN H 4.000 . 5.000 4.270 4.212 4.550 . 0 0 "[ . 1 . 2 .]" 1
632 1 31 TRP QB 1 33 GLN H 5.000 . 7.000 4.546 4.472 4.837 . 0 0 "[ . 1 . 2 .]" 1
633 1 32 VAL HA 1 33 GLN HA 5.000 . 7.000 4.768 4.728 4.785 . 0 0 "[ . 1 . 2 .]" 1
634 1 32 VAL QG 1 33 GLN QE 3.000 . 3.300 2.089 1.933 2.200 . 0 0 "[ . 1 . 2 .]" 1
635 1 32 VAL QG 1 33 GLN QG 5.000 . 7.000 3.140 2.312 4.449 . 0 0 "[ . 1 . 2 .]" 1
636 1 32 VAL HA 1 33 GLN H 4.000 . 5.000 3.516 3.507 3.550 . 0 0 "[ . 1 . 2 .]" 1
637 1 32 VAL HB 1 33 GLN H 5.000 . 7.000 3.734 2.392 3.988 . 0 0 "[ . 1 . 2 .]" 1
638 1 32 VAL QG 1 33 GLN H 4.000 . 5.000 2.232 2.022 3.257 . 0 0 "[ . 1 . 2 .]" 1
639 1 33 GLN HA 1 33 GLN QG 3.000 . 3.300 2.575 2.006 2.983 . 0 0 "[ . 1 . 2 .]" 1
640 1 33 GLN HA 1 33 GLN QE 4.000 . 5.000 2.425 1.943 3.596 . 0 0 "[ . 1 . 2 .]" 1
641 1 33 GLN H 1 33 GLN HA 3.000 . 3.300 2.833 2.802 2.860 . 0 0 "[ . 1 . 2 .]" 1
642 1 33 GLN H 1 33 GLN QB 2.400 . 2.700 2.213 2.047 2.415 . 0 0 "[ . 1 . 2 .]" 1
643 1 33 GLN H 1 33 GLN QG 4.000 . 5.000 3.057 2.241 3.965 . 0 0 "[ . 1 . 2 .]" 1
644 1 33 GLN H 1 34 ARG QB 5.000 . 7.000 4.872 4.258 5.031 . 0 0 "[ . 1 . 2 .]" 1
645 1 33 GLN H 1 34 ARG QG 4.000 . 5.000 4.061 3.915 4.507 . 0 0 "[ . 1 . 2 .]" 1
646 1 33 GLN HA 1 36 ILE MD 3.000 . 3.300 2.757 2.748 2.771 . 0 0 "[ . 1 . 2 .]" 1
647 1 33 GLN HA 1 36 ILE QG 4.000 . 5.000 3.993 3.775 4.097 . 0 0 "[ . 1 . 2 .]" 1
648 1 33 GLN QE 1 36 ILE MD 5.000 . 7.000 2.645 1.910 4.016 . 0 0 "[ . 1 . 2 .]" 1
649 1 33 GLN H 1 36 ILE HB 4.000 . 5.000 4.994 4.758 5.023 0.023 25 0 "[ . 1 . 2 .]" 1
650 1 33 GLN H 1 36 ILE MD 4.000 . 5.000 4.125 3.901 4.175 . 0 0 "[ . 1 . 2 .]" 1
651 1 33 GLN H 1 36 ILE QG 5.000 . 7.000 4.973 4.840 5.058 . 0 0 "[ . 1 . 2 .]" 1
652 1 17 LEU MD2 1 34 ARG HA 5.000 . 7.000 4.988 4.290 5.118 . 0 0 "[ . 1 . 2 .]" 1
653 1 17 LEU MD2 1 34 ARG QB 5.000 . 7.000 3.252 1.985 3.453 . 0 0 "[ . 1 . 2 .]" 1
654 1 17 LEU MD1 1 34 ARG QD 5.000 . 7.000 2.081 1.830 3.730 . 0 0 "[ . 1 . 2 .]" 1
655 1 17 LEU MD2 1 34 ARG QD 4.000 . 5.000 1.778 1.653 2.700 0.147 22 0 "[ . 1 . 2 .]" 1
656 1 17 LEU HG 1 34 ARG QD 5.000 . 7.000 3.906 3.674 5.427 . 0 0 "[ . 1 . 2 .]" 1
657 1 17 LEU MD2 1 34 ARG HE 4.000 . 5.000 3.781 3.478 3.935 . 0 0 "[ . 1 . 2 .]" 1
658 1 17 LEU MD1 1 34 ARG QG 4.000 . 5.000 3.180 3.030 3.808 . 0 0 "[ . 1 . 2 .]" 1
659 1 17 LEU MD2 1 34 ARG QG 4.000 . 5.000 2.086 1.850 3.532 . 0 0 "[ . 1 . 2 .]" 1
660 1 22 LEU MD1 1 34 ARG QB 4.000 . 5.000 3.717 3.509 3.750 . 0 0 "[ . 1 . 2 .]" 1
661 1 22 LEU QB 1 34 ARG QD 4.000 . 5.000 2.630 2.486 2.805 . 0 0 "[ . 1 . 2 .]" 1
662 1 22 LEU MD2 1 34 ARG QD 5.000 . 7.000 3.070 2.478 3.466 . 0 0 "[ . 1 . 2 .]" 1
663 1 22 LEU MD2 1 34 ARG HE 5.000 . 7.000 5.198 4.756 5.446 . 0 0 "[ . 1 . 2 .]" 1
664 1 22 LEU MD1 1 34 ARG QG 5.000 . 7.000 3.671 3.207 5.206 . 0 0 "[ . 1 . 2 .]" 1
665 1 22 LEU MD2 1 34 ARG QG 4.000 . 5.000 3.719 3.713 3.727 . 0 0 "[ . 1 . 2 .]" 1
666 1 23 SER HA 1 34 ARG HE 5.000 . 7.000 7.011 6.641 7.092 0.092 22 0 "[ . 1 . 2 .]" 1
667 1 30 GLU HA 1 34 ARG HE 4.000 . 5.000 4.984 4.857 5.102 0.102 10 0 "[ . 1 . 2 .]" 1
668 1 31 TRP HA 1 34 ARG HE 4.000 . 5.000 3.183 3.014 3.866 . 0 0 "[ . 1 . 2 .]" 1
669 1 31 TRP HD1 1 34 ARG HE 4.000 . 5.000 2.684 2.080 3.746 . 0 0 "[ . 1 . 2 .]" 1
670 1 32 VAL HA 1 34 ARG H 4.000 . 5.000 4.663 4.273 4.810 . 0 0 "[ . 1 . 2 .]" 1
671 1 32 VAL QG 1 34 ARG H 5.000 . 7.000 4.259 3.927 4.849 . 0 0 "[ . 1 . 2 .]" 1
672 1 33 GLN QB 1 34 ARG H 5.000 . 7.000 2.519 2.411 2.808 . 0 0 "[ . 1 . 2 .]" 1
673 1 33 GLN H 1 34 ARG H 3.000 . 3.300 2.689 2.439 2.767 . 0 0 "[ . 1 . 2 .]" 1
674 1 34 ARG HA 1 34 ARG QD 4.000 . 5.000 4.374 3.428 4.523 . 0 0 "[ . 1 . 2 .]" 1
675 1 34 ARG QB 1 34 ARG QD 3.000 . 3.300 2.294 1.922 2.392 . 0 0 "[ . 1 . 2 .]" 1
676 1 34 ARG HA 1 34 ARG HE 4.000 . 5.000 4.951 4.258 5.062 0.062 10 0 "[ . 1 . 2 .]" 1
677 1 34 ARG QB 1 34 ARG HE 3.000 . 3.300 2.519 1.827 3.039 . 0 0 "[ . 1 . 2 .]" 1
678 1 34 ARG HE 1 34 ARG QG 3.000 . 3.300 2.526 1.998 2.848 . 0 0 "[ . 1 . 2 .]" 1
679 1 34 ARG H 1 34 ARG QD 5.000 . 7.000 4.233 4.159 4.483 . 0 0 "[ . 1 . 2 .]" 1
680 1 34 ARG H 1 34 ARG QG 3.000 . 3.300 2.259 2.137 2.739 . 0 0 "[ . 1 . 2 .]" 1
681 1 34 ARG H 1 35 LEU QB 5.000 . 7.000 4.647 4.579 4.685 . 0 0 "[ . 1 . 2 .]" 1
682 1 34 ARG H 1 35 LEU H 3.000 . 3.300 2.662 2.617 2.688 . 0 0 "[ . 1 . 2 .]" 1
683 1 17 LEU MD1 1 35 LEU MD1 4.000 . 5.000 3.229 3.119 3.397 . 0 0 "[ . 1 . 2 .]" 1
684 1 17 LEU MD1 1 35 LEU MD2 4.000 . 5.000 3.492 3.458 3.501 . 0 0 "[ . 1 . 2 .]" 1
685 1 17 LEU MD2 1 35 LEU H 4.000 . 5.000 3.300 3.025 3.432 . 0 0 "[ . 1 . 2 .]" 1
686 1 22 LEU MD1 1 35 LEU HA 4.000 . 5.000 2.862 2.766 3.152 . 0 0 "[ . 1 . 2 .]" 1
687 1 31 TRP HA 1 35 LEU H 4.000 . 5.000 3.762 3.693 3.833 . 0 0 "[ . 1 . 2 .]" 1
688 1 32 VAL HA 1 35 LEU H 4.000 . 5.000 3.618 3.540 3.673 . 0 0 "[ . 1 . 2 .]" 1
689 1 32 VAL QG 1 35 LEU H 5.000 . 7.000 4.405 4.338 4.474 . 0 0 "[ . 1 . 2 .]" 1
690 1 33 GLN H 1 35 LEU H 4.000 . 5.000 4.049 3.959 4.203 . 0 0 "[ . 1 . 2 .]" 1
691 1 34 ARG HA 1 35 LEU H 4.000 . 5.000 3.541 3.518 3.552 . 0 0 "[ . 1 . 2 .]" 1
692 1 34 ARG QB 1 35 LEU H 4.000 . 5.000 3.327 2.461 3.488 . 0 0 "[ . 1 . 2 .]" 1
693 1 34 ARG QG 1 35 LEU H 4.000 . 5.000 2.328 2.006 4.157 . 0 0 "[ . 1 . 2 .]" 1
694 1 35 LEU HA 1 35 LEU MD2 2.400 . 2.700 2.098 1.994 2.172 . 0 0 "[ . 1 . 2 .]" 1
695 1 35 LEU HA 1 35 LEU HG 3.000 . 3.300 2.993 2.943 3.037 . 0 0 "[ . 1 . 2 .]" 1
696 1 35 LEU QB 1 35 LEU MD1 2.400 . 2.700 2.026 2.013 2.040 . 0 0 "[ . 1 . 2 .]" 1
697 1 35 LEU MD1 1 35 LEU HG 2.400 . 2.700 2.115 2.113 2.117 . 0 0 "[ . 1 . 2 .]" 1
698 1 35 LEU H 1 35 LEU HA 3.000 . 3.300 2.826 2.815 2.846 . 0 0 "[ . 1 . 2 .]" 1
699 1 35 LEU H 1 35 LEU QB 2.400 . 2.700 2.406 2.328 2.450 . 0 0 "[ . 1 . 2 .]" 1
700 1 35 LEU H 1 35 LEU MD1 4.000 . 5.000 3.528 3.268 3.687 . 0 0 "[ . 1 . 2 .]" 1
701 1 35 LEU H 1 35 LEU MD2 5.000 . 7.000 3.535 3.438 3.655 . 0 0 "[ . 1 . 2 .]" 1
702 1 35 LEU H 1 35 LEU HG 2.400 . 2.700 2.366 2.050 2.567 . 0 0 "[ . 1 . 2 .]" 1
703 1 35 LEU H 1 36 ILE HA 5.000 . 7.000 5.292 5.229 5.323 . 0 0 "[ . 1 . 2 .]" 1
704 1 35 LEU H 1 36 ILE HB 4.000 . 5.000 4.702 4.645 4.748 . 0 0 "[ . 1 . 2 .]" 1
705 1 35 LEU H 1 36 ILE MD 5.000 . 7.000 5.186 4.973 5.273 . 0 0 "[ . 1 . 2 .]" 1
706 1 35 LEU HA 1 38 ASP QB 3.000 . 3.300 2.377 2.252 2.440 . 0 0 "[ . 1 . 2 .]" 1
707 1 35 LEU H 1 38 ASP QB 4.000 . 5.000 4.484 4.451 4.497 . 0 0 "[ . 1 . 2 .]" 1
708 1 5 TYR QD 1 36 ILE H 4.000 . 5.000 3.571 3.420 3.635 . 0 0 "[ . 1 . 2 .]" 1
709 1 5 TYR QE 1 36 ILE H 4.000 . 5.000 3.287 3.150 3.383 . 0 0 "[ . 1 . 2 .]" 1
710 1 32 VAL QG 1 36 ILE QG 3.000 . 3.300 2.208 2.195 2.228 . 0 0 "[ . 1 . 2 .]" 1
711 1 32 VAL HA 1 36 ILE H 4.000 . 5.000 3.618 3.564 3.651 . 0 0 "[ . 1 . 2 .]" 1
712 1 32 VAL QG 1 36 ILE H 4.000 . 5.000 3.554 3.474 3.653 . 0 0 "[ . 1 . 2 .]" 1
713 1 33 GLN H 1 36 ILE H 4.000 . 5.000 4.636 4.585 4.700 . 0 0 "[ . 1 . 2 .]" 1
714 1 34 ARG HA 1 36 ILE H 4.000 . 5.000 4.734 4.678 4.909 . 0 0 "[ . 1 . 2 .]" 1
715 1 35 LEU MD1 1 36 ILE HA 5.000 . 7.000 5.579 5.552 5.599 . 0 0 "[ . 1 . 2 .]" 1
716 1 35 LEU HA 1 36 ILE H 4.000 . 5.000 3.558 3.550 3.571 . 0 0 "[ . 1 . 2 .]" 1
717 1 35 LEU QB 1 36 ILE H 4.000 . 5.000 2.306 2.289 2.320 . 0 0 "[ . 1 . 2 .]" 1
718 1 35 LEU MD1 1 36 ILE H 5.000 . 7.000 4.151 3.996 4.233 . 0 0 "[ . 1 . 2 .]" 1
719 1 35 LEU H 1 36 ILE H 3.000 . 3.300 2.700 2.634 2.737 . 0 0 "[ . 1 . 2 .]" 1
720 1 36 ILE HA 1 36 ILE HB 3.000 . 3.300 3.021 3.017 3.026 . 0 0 "[ . 1 . 2 .]" 1
721 1 36 ILE HA 1 36 ILE QG 3.000 . 3.300 2.375 2.356 2.428 . 0 0 "[ . 1 . 2 .]" 1
722 1 36 ILE HA 1 36 ILE MG 3.000 . 3.300 2.459 2.375 2.499 . 0 0 "[ . 1 . 2 .]" 1
723 1 36 ILE H 1 36 ILE HA 3.000 . 3.300 2.778 2.767 2.784 . 0 0 "[ . 1 . 2 .]" 1
724 1 36 ILE H 1 36 ILE HB 3.000 . 3.300 2.448 2.419 2.513 . 0 0 "[ . 1 . 2 .]" 1
725 1 36 ILE H 1 36 ILE QG 3.000 . 3.300 2.253 2.126 2.287 . 0 0 "[ . 1 . 2 .]" 1
726 1 36 ILE H 1 36 ILE MG 4.000 . 5.000 3.753 3.745 3.767 . 0 0 "[ . 1 . 2 .]" 1
727 1 36 ILE HA 1 39 ASP QB 3.000 . 3.300 2.948 2.942 2.957 . 0 0 "[ . 1 . 2 .]" 1
728 1 36 ILE MG 1 37 LYS HA 4.000 . 5.000 3.387 3.250 3.543 . 0 0 "[ . 1 . 2 .]" 1
729 1 36 ILE HA 1 37 LYS H 4.000 . 5.000 3.518 3.508 3.536 . 0 0 "[ . 1 . 2 .]" 1
730 1 36 ILE QG 1 37 LYS H 4.000 . 5.000 4.181 4.108 4.208 . 0 0 "[ . 1 . 2 .]" 1
731 1 36 ILE MG 1 37 LYS H 4.000 . 5.000 3.358 3.271 3.478 . 0 0 "[ . 1 . 2 .]" 1
732 1 36 ILE H 1 37 LYS H 3.000 . 3.300 2.721 2.686 2.793 . 0 0 "[ . 1 . 2 .]" 1
733 1 37 LYS HA 1 37 LYS QD 4.000 . 5.000 3.467 2.007 4.165 . 0 0 "[ . 1 . 2 .]" 1
734 1 37 LYS HA 1 37 LYS QE 5.000 . 7.000 4.144 1.993 4.924 . 0 0 "[ . 1 . 2 .]" 1
735 1 37 LYS HA 1 37 LYS QG 3.000 . 3.300 2.378 2.040 2.909 . 0 0 "[ . 1 . 2 .]" 1
736 1 37 LYS QB 1 37 LYS QE 4.000 . 5.000 3.196 2.268 3.832 . 0 0 "[ . 1 . 2 .]" 1
737 1 37 LYS H 1 37 LYS HA 3.000 . 3.300 2.853 2.847 2.856 . 0 0 "[ . 1 . 2 .]" 1
738 1 37 LYS H 1 37 LYS QB 2.400 . 2.700 2.208 2.101 2.321 . 0 0 "[ . 1 . 2 .]" 1
739 1 37 LYS H 1 37 LYS QD 4.000 . 5.000 4.089 3.341 4.456 . 0 0 "[ . 1 . 2 .]" 1
740 1 37 LYS H 1 37 LYS QE 5.000 . 7.000 5.171 3.533 6.061 . 0 0 "[ . 1 . 2 .]" 1
741 1 37 LYS H 1 37 LYS QG 4.000 . 5.000 3.645 2.499 4.069 . 0 0 "[ . 1 . 2 .]" 1
742 1 37 LYS H 1 38 ASP HA 4.000 . 5.000 5.056 5.048 5.069 0.069 6 0 "[ . 1 . 2 .]" 1
743 1 37 LYS H 1 38 ASP QB 4.000 . 5.000 4.187 4.156 4.226 . 0 0 "[ . 1 . 2 .]" 1
744 1 37 LYS H 1 38 ASP H 3.000 . 3.300 2.428 2.413 2.451 . 0 0 "[ . 1 . 2 .]" 1
745 1 22 LEU MD1 1 38 ASP HA 5.000 . 7.000 4.132 3.922 4.261 . 0 0 "[ . 1 . 2 .]" 1
746 1 22 LEU MD1 1 38 ASP QB 3.000 . 3.300 2.193 2.044 2.269 . 0 0 "[ . 1 . 2 .]" 1
747 1 22 LEU MD2 1 38 ASP QB 3.000 . 3.300 2.421 2.256 2.454 . 0 0 "[ . 1 . 2 .]" 1
748 1 22 LEU MD1 1 38 ASP H 4.000 . 5.000 4.184 4.153 4.204 . 0 0 "[ . 1 . 2 .]" 1
749 1 22 LEU MD2 1 38 ASP H 5.000 . 7.000 4.088 4.011 4.247 . 0 0 "[ . 1 . 2 .]" 1
750 1 34 ARG HA 1 38 ASP H 4.000 . 5.000 4.187 4.131 4.341 . 0 0 "[ . 1 . 2 .]" 1
751 1 34 ARG QB 1 38 ASP H 5.000 . 7.000 4.881 4.808 4.978 . 0 0 "[ . 1 . 2 .]" 1
752 1 35 LEU MD2 1 38 ASP QB 4.000 . 5.000 3.317 3.181 3.473 . 0 0 "[ . 1 . 2 .]" 1
753 1 35 LEU HA 1 38 ASP H 4.000 . 5.000 3.156 3.108 3.199 . 0 0 "[ . 1 . 2 .]" 1
754 1 35 LEU QB 1 38 ASP H 5.000 . 7.000 4.460 4.440 4.493 . 0 0 "[ . 1 . 2 .]" 1
755 1 35 LEU MD2 1 38 ASP H 5.000 . 7.000 4.829 4.686 4.989 . 0 0 "[ . 1 . 2 .]" 1
756 1 36 ILE HA 1 38 ASP H 4.000 . 5.000 4.187 4.164 4.240 . 0 0 "[ . 1 . 2 .]" 1
757 1 36 ILE HB 1 38 ASP H 5.000 . 7.000 4.895 4.847 4.928 . 0 0 "[ . 1 . 2 .]" 1
758 1 36 ILE MG 1 38 ASP H 5.000 . 7.000 4.821 4.776 4.890 . 0 0 "[ . 1 . 2 .]" 1
759 1 37 LYS HA 1 38 ASP H 4.000 . 5.000 3.489 3.482 3.501 . 0 0 "[ . 1 . 2 .]" 1
760 1 37 LYS QB 1 38 ASP H 4.000 . 5.000 2.787 2.752 2.843 . 0 0 "[ . 1 . 2 .]" 1
761 1 37 LYS QG 1 38 ASP H 4.000 . 5.000 4.242 3.795 4.447 . 0 0 "[ . 1 . 2 .]" 1
762 1 38 ASP H 1 38 ASP HA 3.000 . 3.300 2.826 2.816 2.838 . 0 0 "[ . 1 . 2 .]" 1
763 1 38 ASP H 1 38 ASP QB 2.400 . 2.700 2.224 2.171 2.261 . 0 0 "[ . 1 . 2 .]" 1
764 1 38 ASP H 1 39 ASP QB 5.000 . 7.000 4.404 4.290 4.493 . 0 0 "[ . 1 . 2 .]" 1
765 1 38 ASP HA 1 41 GLU QB 5.000 . 7.000 3.185 2.208 3.803 . 0 0 "[ . 1 . 2 .]" 1
766 1 22 LEU MD1 1 39 ASP H 5.000 . 7.000 5.065 4.956 5.183 . 0 0 "[ . 1 . 2 .]" 1
767 1 35 LEU HA 1 39 ASP H 4.000 . 5.000 4.063 3.949 4.218 . 0 0 "[ . 1 . 2 .]" 1
768 1 35 LEU MD2 1 39 ASP H 5.000 . 7.000 5.183 4.971 5.437 . 0 0 "[ . 1 . 2 .]" 1
769 1 36 ILE HA 1 39 ASP H 4.000 . 5.000 3.511 3.455 3.576 . 0 0 "[ . 1 . 2 .]" 1
770 1 36 ILE MG 1 39 ASP H 5.000 . 7.000 4.737 4.619 4.878 . 0 0 "[ . 1 . 2 .]" 1
771 1 38 ASP HA 1 39 ASP H 4.000 . 5.000 3.537 3.520 3.547 . 0 0 "[ . 1 . 2 .]" 1
772 1 38 ASP QB 1 39 ASP H 4.000 . 5.000 2.468 2.369 2.576 . 0 0 "[ . 1 . 2 .]" 1
773 1 38 ASP H 1 39 ASP H 3.000 . 3.300 2.606 2.555 2.643 . 0 0 "[ . 1 . 2 .]" 1
774 1 39 ASP H 1 39 ASP HA 3.000 . 3.300 2.857 2.825 2.884 . 0 0 "[ . 1 . 2 .]" 1
775 1 39 ASP H 1 40 GLU QB 4.000 . 5.000 4.245 4.097 4.439 . 0 0 "[ . 1 . 2 .]" 1
776 1 39 ASP H 1 40 GLU QG 5.000 . 7.000 5.147 4.520 6.042 . 0 0 "[ . 1 . 2 .]" 1
777 1 39 ASP H 1 40 GLU H 3.000 . 3.300 2.463 2.370 2.556 . 0 0 "[ . 1 . 2 .]" 1
778 1 39 ASP H 1 41 GLU QG 5.000 . 7.000 5.072 4.617 6.253 . 0 0 "[ . 1 . 2 .]" 1
779 1 36 ILE MG 1 40 GLU QG 4.000 . 5.000 2.890 2.170 3.713 . 0 0 "[ . 1 . 2 .]" 1
780 1 36 ILE HA 1 40 GLU H 4.000 . 5.000 4.115 3.995 4.224 . 0 0 "[ . 1 . 2 .]" 1
781 1 36 ILE MG 1 40 GLU H 4.000 . 5.000 4.097 4.012 4.163 . 0 0 "[ . 1 . 2 .]" 1
782 1 38 ASP QB 1 40 GLU H 4.000 . 5.000 4.470 4.458 4.483 . 0 0 "[ . 1 . 2 .]" 1
783 1 39 ASP QB 1 40 GLU HA 5.000 . 7.000 3.994 3.858 4.243 . 0 0 "[ . 1 . 2 .]" 1
784 1 39 ASP HA 1 40 GLU H 4.000 . 5.000 3.478 3.455 3.499 . 0 0 "[ . 1 . 2 .]" 1
785 1 39 ASP QB 1 40 GLU H 4.000 . 5.000 2.884 2.770 3.033 . 0 0 "[ . 1 . 2 .]" 1
786 1 40 GLU HA 1 40 GLU QG 3.000 . 3.300 2.191 2.003 2.397 . 0 0 "[ . 1 . 2 .]" 1
787 1 40 GLU H 1 40 GLU HA 3.000 . 3.300 2.870 2.850 2.887 . 0 0 "[ . 1 . 2 .]" 1
788 1 40 GLU H 1 40 GLU QB 3.000 . 3.300 2.166 2.080 2.278 . 0 0 "[ . 1 . 2 .]" 1
789 1 40 GLU H 1 40 GLU QG 4.000 . 5.000 3.281 2.817 3.996 . 0 0 "[ . 1 . 2 .]" 1
790 1 40 GLU H 1 41 GLU HA 4.000 . 5.000 4.977 4.904 5.025 0.025 10 0 "[ . 1 . 2 .]" 1
791 1 40 GLU H 1 41 GLU QG 5.000 . 7.000 4.455 4.008 5.579 . 0 0 "[ . 1 . 2 .]" 1
792 1 38 ASP HA 1 41 GLU H 4.000 . 5.000 3.581 3.329 3.793 . 0 0 "[ . 1 . 2 .]" 1
793 1 40 GLU QB 1 41 GLU HA 5.000 . 7.000 3.952 3.885 4.087 . 0 0 "[ . 1 . 2 .]" 1
794 1 40 GLU HA 1 41 GLU H 4.000 . 5.000 3.433 3.423 3.438 . 0 0 "[ . 1 . 2 .]" 1
795 1 40 GLU QB 1 41 GLU H 4.000 . 5.000 3.045 3.003 3.080 . 0 0 "[ . 1 . 2 .]" 1
796 1 40 GLU H 1 41 GLU H 3.000 . 3.300 2.442 2.363 2.506 . 0 0 "[ . 1 . 2 .]" 1
797 1 41 GLU HA 1 41 GLU QG 3.000 . 3.300 2.284 2.148 2.831 . 0 0 "[ . 1 . 2 .]" 1
798 1 41 GLU H 1 41 GLU HA 3.000 . 3.300 2.765 2.750 2.783 . 0 0 "[ . 1 . 2 .]" 1
799 1 41 GLU H 1 41 GLU QB 2.400 . 2.700 2.269 2.051 2.400 . 0 0 "[ . 1 . 2 .]" 1
800 1 41 GLU H 1 41 GLU QG 4.000 . 5.000 2.737 2.343 3.636 . 0 0 "[ . 1 . 2 .]" 1
801 1 41 GLU HA 1 43 LYS QB 5.000 . 7.000 5.310 4.403 6.180 . 0 0 "[ . 1 . 2 .]" 1
802 1 40 GLU HA 1 42 SER H 3.000 . 3.300 3.358 3.348 3.377 0.077 15 0 "[ . 1 . 2 .]" 1
803 1 41 GLU QB 1 42 SER HA 4.000 . 5.000 4.161 4.006 4.391 . 0 0 "[ . 1 . 2 .]" 1
804 1 41 GLU HA 1 42 SER H 4.000 . 5.000 3.431 3.417 3.445 . 0 0 "[ . 1 . 2 .]" 1
805 1 41 GLU QB 1 42 SER H 4.000 . 5.000 3.080 3.040 3.101 . 0 0 "[ . 1 . 2 .]" 1
806 1 41 GLU QG 1 42 SER H 4.000 . 5.000 4.441 4.332 4.498 . 0 0 "[ . 1 . 2 .]" 1
807 1 42 SER H 1 42 SER HA 3.000 . 3.300 2.929 2.891 2.947 . 0 0 "[ . 1 . 2 .]" 1
808 1 42 SER H 1 43 LYS QB 4.000 . 5.000 4.436 4.287 4.483 . 0 0 "[ . 1 . 2 .]" 1
809 1 42 SER H 1 43 LYS H 3.000 . 3.300 2.196 1.892 3.328 0.028 23 0 "[ . 1 . 2 .]" 1
810 1 42 SER H 1 47 GLU QB 5.000 . 7.000 5.663 3.630 6.238 . 0 0 "[ . 1 . 2 .]" 1
811 1 42 SER H 1 48 VAL QG 5.000 . 7.000 4.788 4.042 5.194 . 0 0 "[ . 1 . 2 .]" 1
812 1 40 GLU HA 1 43 LYS H 4.000 . 5.000 2.948 2.560 4.366 . 0 0 "[ . 1 . 2 .]" 1
813 1 41 GLU HA 1 43 LYS H 4.000 . 5.000 4.329 4.020 5.025 0.025 24 0 "[ . 1 . 2 .]" 1
814 1 42 SER HA 1 43 LYS H 3.000 . 3.300 3.229 2.342 3.439 0.139 25 0 "[ . 1 . 2 .]" 1
815 1 42 SER QB 1 43 LYS H 5.000 . 7.000 3.421 2.807 3.865 . 0 0 "[ . 1 . 2 .]" 1
816 1 43 LYS HA 1 43 LYS QD 4.000 . 5.000 3.515 2.089 4.089 . 0 0 "[ . 1 . 2 .]" 1
817 1 43 LYS HA 1 43 LYS QE 5.000 . 7.000 4.057 2.080 4.577 . 0 0 "[ . 1 . 2 .]" 1
818 1 43 LYS HA 1 43 LYS QG 3.000 . 3.300 2.237 2.007 2.561 . 0 0 "[ . 1 . 2 .]" 1
819 1 43 LYS QB 1 43 LYS QE 3.000 . 3.300 2.298 1.950 2.620 . 0 0 "[ . 1 . 2 .]" 1
820 1 43 LYS QE 1 43 LYS QG 3.000 . 3.300 2.243 1.988 2.620 . 0 0 "[ . 1 . 2 .]" 1
821 1 43 LYS H 1 43 LYS HA 3.000 . 3.300 2.351 2.269 2.892 . 0 0 "[ . 1 . 2 .]" 1
822 1 43 LYS H 1 43 LYS QB 3.000 . 3.300 2.781 2.122 2.936 . 0 0 "[ . 1 . 2 .]" 1
823 1 43 LYS H 1 43 LYS QD 5.000 . 7.000 4.773 3.375 5.374 . 0 0 "[ . 1 . 2 .]" 1
824 1 43 LYS H 1 43 LYS QG 4.000 . 5.000 3.870 3.416 4.329 . 0 0 "[ . 1 . 2 .]" 1
825 1 42 SER HA 1 44 GLY H 5.000 . 7.000 4.345 3.498 4.899 . 0 0 "[ . 1 . 2 .]" 1
826 1 42 SER QB 1 44 GLY H 3.000 . 3.300 2.837 2.556 2.995 . 0 0 "[ . 1 . 2 .]" 1
827 1 43 LYS HA 1 44 GLY H 4.000 . 5.000 2.907 2.730 3.033 . 0 0 "[ . 1 . 2 .]" 1
828 1 43 LYS QB 1 44 GLY H 4.000 . 5.000 3.803 3.704 3.917 . 0 0 "[ . 1 . 2 .]" 1
829 1 43 LYS H 1 44 GLY H 3.000 . 3.300 2.838 2.702 3.301 0.001 24 0 "[ . 1 . 2 .]" 1
830 1 44 GLY QA 1 45 GLU H 5.000 . 7.000 2.357 2.112 2.836 . 0 0 "[ . 1 . 2 .]" 1
831 1 45 GLU H 1 45 GLU HA 3.000 . 3.300 2.846 2.273 2.948 . 0 0 "[ . 1 . 2 .]" 1
832 1 45 GLU H 1 45 GLU QB 3.000 . 3.300 2.527 2.044 2.937 . 0 0 "[ . 1 . 2 .]" 1
833 1 45 GLU H 1 45 GLU QG 4.000 . 5.000 3.508 1.962 4.284 . 0 0 "[ . 1 . 2 .]" 1
834 1 45 GLU HA 1 46 SER H 5.000 . 7.000 3.247 2.304 3.572 . 0 0 "[ . 1 . 2 .]" 1
835 1 45 GLU QB 1 46 SER H 3.000 . 3.300 2.283 1.942 2.950 . 0 0 "[ . 1 . 2 .]" 1
836 1 45 GLU QG 1 46 SER H 4.000 . 5.000 3.588 1.982 4.345 . 0 0 "[ . 1 . 2 .]" 1
837 1 46 SER H 1 46 SER HA 3.000 . 3.300 2.854 2.274 2.946 . 0 0 "[ . 1 . 2 .]" 1
838 1 46 SER HA 1 47 GLU H 3.000 . 3.300 2.384 2.138 3.342 0.042 6 0 "[ . 1 . 2 .]" 1
839 1 46 SER QB 1 47 GLU H 4.000 . 5.000 3.520 2.283 4.036 . 0 0 "[ . 1 . 2 .]" 1
840 1 46 SER H 1 47 GLU H 5.000 . 7.000 3.987 2.594 4.631 . 0 0 "[ . 1 . 2 .]" 1
841 1 47 GLU H 1 47 GLU HA 3.000 . 3.300 2.882 2.781 2.946 . 0 0 "[ . 1 . 2 .]" 1
842 1 47 GLU H 1 47 GLU QB 3.000 . 3.300 2.541 2.132 2.933 . 0 0 "[ . 1 . 2 .]" 1
843 1 47 GLU H 1 47 GLU QG 4.000 . 5.000 3.383 1.987 4.354 . 0 0 "[ . 1 . 2 .]" 1
844 1 47 GLU HA 1 48 VAL QG 5.000 . 7.000 3.892 3.144 4.903 . 0 0 "[ . 1 . 2 .]" 1
845 1 47 GLU H 1 48 VAL QG 5.000 . 7.000 4.222 3.151 5.157 . 0 0 "[ . 1 . 2 .]" 1
846 1 47 GLU H 1 48 VAL H 4.000 . 5.000 3.392 1.996 4.634 . 0 0 "[ . 1 . 2 .]" 1
847 1 47 GLU HA 1 48 VAL H 4.000 . 5.000 2.934 2.154 3.571 . 0 0 "[ . 1 . 2 .]" 1
848 1 48 VAL HA 1 48 VAL QG 3.000 . 3.300 2.219 2.035 2.337 . 0 0 "[ . 1 . 2 .]" 1
849 1 48 VAL H 1 48 VAL HB 4.000 . 5.000 3.422 2.617 4.020 . 0 0 "[ . 1 . 2 .]" 1
850 1 48 VAL H 1 48 VAL QG 3.000 . 3.300 2.097 1.864 2.406 . 0 0 "[ . 1 . 2 .]" 1
851 1 48 VAL QG 1 49 SER QB 5.000 . 7.000 4.165 3.137 4.579 . 0 0 "[ . 1 . 2 .]" 1
852 1 48 VAL HA 1 49 SER H 3.000 . 3.300 2.432 2.142 3.013 . 0 0 "[ . 1 . 2 .]" 1
853 1 48 VAL HB 1 49 SER H 4.000 . 5.000 3.849 2.008 4.656 . 0 0 "[ . 1 . 2 .]" 1
854 1 48 VAL QG 1 49 SER H 4.000 . 5.000 3.258 2.045 3.717 . 0 0 "[ . 1 . 2 .]" 1
855 1 48 VAL H 1 49 SER H 4.000 . 5.000 3.788 2.254 4.598 . 0 0 "[ . 1 . 2 .]" 1
856 1 49 SER H 1 50 PRO QD 4.000 . 5.000 3.590 1.818 4.416 . 0 0 "[ . 1 . 2 .]" 1
857 1 49 SER H 1 51 GLN H 4.000 . 5.000 4.637 2.498 5.024 0.024 3 0 "[ . 1 . 2 .]" 1
858 1 49 SER HA 1 51 GLN H 4.000 . 5.000 4.132 3.312 4.688 . 0 0 "[ . 1 . 2 .]" 1
859 1 50 PRO HA 1 51 GLN H 4.000 . 5.000 3.123 2.400 3.527 . 0 0 "[ . 1 . 2 .]" 1
860 1 50 PRO QD 1 51 GLN H 5.000 . 7.000 3.342 2.667 4.467 . 0 0 "[ . 1 . 2 .]" 1
861 1 51 GLN H 1 51 GLN HA 3.000 . 3.300 2.814 2.273 2.947 . 0 0 "[ . 1 . 2 .]" 1
862 1 51 GLN H 1 51 GLN QG 4.000 . 5.000 3.534 2.244 4.328 . 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 48
_Distance_constraint_stats_list.Viol_count 373
_Distance_constraint_stats_list.Viol_total 272.603
_Distance_constraint_stats_list.Viol_max 0.130
_Distance_constraint_stats_list.Viol_rms 0.0197
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0292
_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 ASP 0.005 0.005 24 0 "[ . 1 . 2 .]"
1 5 TYR 0.280 0.020 3 0 "[ . 1 . 2 .]"
1 7 SER 0.005 0.005 24 0 "[ . 1 . 2 .]"
1 8 LEU 0.280 0.020 3 0 "[ . 1 . 2 .]"
1 9 THR 0.962 0.056 6 0 "[ . 1 . 2 .]"
1 10 VAL 0.089 0.011 15 0 "[ . 1 . 2 .]"
1 11 VAL 1.691 0.056 6 0 "[ . 1 . 2 .]"
1 12 GLN 0.050 0.016 23 0 "[ . 1 . 2 .]"
1 13 LEU 0.071 0.018 10 0 "[ . 1 . 2 .]"
1 14 LYS 0.089 0.011 15 0 "[ . 1 . 2 .]"
1 15 ASP 3.133 0.130 15 0 "[ . 1 . 2 .]"
1 16 LEU 1.514 0.095 14 0 "[ . 1 . 2 .]"
1 17 LEU 0.512 0.063 10 0 "[ . 1 . 2 .]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 LYS 2.387 0.130 15 0 "[ . 1 . 2 .]"
1 20 ARG 1.923 0.095 14 0 "[ . 1 . 2 .]"
1 24 VAL 0.713 0.037 14 0 "[ . 1 . 2 .]"
1 28 LYS 1.243 0.071 22 0 "[ . 1 . 2 .]"
1 29 ASN 1.032 0.064 22 0 "[ . 1 . 2 .]"
1 30 GLU 0.018 0.009 23 0 "[ . 1 . 2 .]"
1 31 TRP 2.019 0.071 22 0 "[ . 1 . 2 .]"
1 32 VAL 0.101 0.036 9 0 "[ . 1 . 2 .]"
1 33 GLN 1.103 0.064 22 0 "[ . 1 . 2 .]"
1 34 ARG 0.126 0.045 10 0 "[ . 1 . 2 .]"
1 35 LEU 0.912 0.052 6 0 "[ . 1 . 2 .]"
1 36 ILE 0.313 0.036 9 0 "[ . 1 . 2 .]"
1 37 LYS 0.071 0.011 13 0 "[ . 1 . 2 .]"
1 38 ASP 0.917 0.052 6 0 "[ . 1 . 2 .]"
1 39 ASP 0.015 0.012 13 0 "[ . 1 . 2 .]"
1 40 GLU 0.236 0.028 10 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 ASP O 1 7 SER H 1.950 . 2.100 1.939 1.803 2.105 0.005 24 0 "[ . 1 . 2 .]" 2
2 1 4 ASP O 1 7 SER N 2.900 2.700 3.100 2.895 2.768 3.035 . 0 0 "[ . 1 . 2 .]" 2
3 1 5 TYR O 1 8 LEU H 1.950 . 2.100 2.108 2.069 2.120 0.020 3 0 "[ . 1 . 2 .]" 2
4 1 5 TYR O 1 8 LEU N 2.900 2.700 3.100 2.704 2.686 2.732 0.014 25 0 "[ . 1 . 2 .]" 2
5 1 9 THR OG1 1 11 VAL H 1.950 . 2.100 2.138 2.125 2.156 0.056 6 0 "[ . 1 . 2 .]" 2
6 1 9 THR OG1 1 11 VAL N 2.900 2.700 3.100 3.033 3.001 3.052 . 0 0 "[ . 1 . 2 .]" 2
7 1 9 THR O 1 13 LEU H 1.950 . 2.100 1.850 1.794 1.956 0.006 16 0 "[ . 1 . 2 .]" 2
8 1 9 THR O 1 13 LEU N 2.900 2.700 3.100 2.790 2.739 2.884 . 0 0 "[ . 1 . 2 .]" 2
9 1 10 VAL O 1 14 LYS H 1.950 . 2.100 2.091 2.003 2.111 0.011 15 0 "[ . 1 . 2 .]" 2
10 1 10 VAL O 1 14 LYS N 2.900 2.700 3.100 3.054 2.973 3.072 . 0 0 "[ . 1 . 2 .]" 2
11 1 11 VAL O 1 15 ASP H 1.950 . 2.100 2.130 2.116 2.153 0.053 22 0 "[ . 1 . 2 .]" 2
12 1 11 VAL O 1 15 ASP N 2.900 2.700 3.100 2.942 2.919 2.971 . 0 0 "[ . 1 . 2 .]" 2
13 1 12 GLN O 1 16 LEU H 1.950 . 2.100 1.857 1.784 1.949 0.016 23 0 "[ . 1 . 2 .]" 2
14 1 12 GLN O 1 16 LEU N 2.900 2.700 3.100 2.821 2.738 2.906 . 0 0 "[ . 1 . 2 .]" 2
15 1 13 LEU O 1 17 LEU H 1.950 . 2.100 2.095 2.064 2.118 0.018 10 0 "[ . 1 . 2 .]" 2
16 1 13 LEU O 1 17 LEU N 2.900 2.700 3.100 2.895 2.862 2.918 . 0 0 "[ . 1 . 2 .]" 2
17 1 14 LYS O 1 18 THR H 1.950 . 2.100 2.038 1.997 2.077 . 0 0 "[ . 1 . 2 .]" 2
18 1 14 LYS O 1 18 THR N 2.900 2.700 3.100 3.009 2.968 3.051 . 0 0 "[ . 1 . 2 .]" 2
19 1 15 ASP O 1 19 LYS H 1.950 . 2.100 2.195 2.164 2.230 0.130 15 0 "[ . 1 . 2 .]" 2
20 1 15 ASP O 1 19 LYS N 2.900 2.700 3.100 3.060 3.030 3.089 . 0 0 "[ . 1 . 2 .]" 2
21 1 16 LEU O 1 20 ARG H 1.950 . 2.100 2.122 2.106 2.167 0.067 10 0 "[ . 1 . 2 .]" 2
22 1 16 LEU O 1 20 ARG N 2.900 2.700 3.100 2.726 2.605 2.925 0.095 14 0 "[ . 1 . 2 .]" 2
23 1 17 LEU O 1 20 ARG H 1.950 . 2.100 2.113 2.059 2.163 0.063 10 0 "[ . 1 . 2 .]" 2
24 1 17 LEU O 1 20 ARG N 2.900 2.700 3.100 2.914 2.861 2.973 . 0 0 "[ . 1 . 2 .]" 2
25 1 24 VAL O 1 31 TRP HE1 1.950 . 2.100 1.877 1.843 1.918 . 0 0 "[ . 1 . 2 .]" 2
26 1 24 VAL O 1 31 TRP NE1 2.900 2.700 3.100 2.671 2.663 2.685 0.037 14 0 "[ . 1 . 2 .]" 2
27 1 28 LYS O 1 31 TRP H 1.950 . 2.100 2.149 2.136 2.171 0.071 22 0 "[ . 1 . 2 .]" 2
28 1 28 LYS O 1 31 TRP N 2.900 2.700 3.100 2.761 2.742 2.782 . 0 0 "[ . 1 . 2 .]" 2
29 1 28 LYS O 1 32 VAL H 1.950 . 2.100 1.839 1.792 1.902 0.008 6 0 "[ . 1 . 2 .]" 2
30 1 28 LYS O 1 32 VAL N 2.900 2.700 3.100 2.774 2.716 2.815 . 0 0 "[ . 1 . 2 .]" 2
31 1 29 ASN O 1 33 GLN H 1.950 . 2.100 2.141 2.117 2.164 0.064 22 0 "[ . 1 . 2 .]" 2
32 1 29 ASN O 1 33 GLN N 2.900 2.700 3.100 3.048 3.029 3.106 0.006 9 0 "[ . 1 . 2 .]" 2
33 1 30 GLU O 1 34 ARG H 1.950 . 2.100 1.941 1.806 2.089 . 0 0 "[ . 1 . 2 .]" 2
34 1 30 GLU O 1 34 ARG N 2.900 2.700 3.100 2.871 2.691 3.028 0.009 23 0 "[ . 1 . 2 .]" 2
35 1 31 TRP O 1 35 LEU H 1.950 . 2.100 1.826 1.778 1.945 0.022 10 0 "[ . 1 . 2 .]" 2
36 1 31 TRP O 1 35 LEU N 2.900 2.700 3.100 2.764 2.718 2.836 . 0 0 "[ . 1 . 2 .]" 2
37 1 32 VAL O 1 36 ILE H 1.950 . 2.100 1.887 1.764 1.952 0.036 9 0 "[ . 1 . 2 .]" 2
38 1 32 VAL O 1 36 ILE N 2.900 2.700 3.100 2.820 2.714 2.882 . 0 0 "[ . 1 . 2 .]" 2
39 1 33 GLN O 1 37 LYS H 1.950 . 2.100 2.087 1.910 2.111 0.011 13 0 "[ . 1 . 2 .]" 2
40 1 33 GLN O 1 37 LYS N 2.900 2.700 3.100 2.946 2.787 2.988 . 0 0 "[ . 1 . 2 .]" 2
41 1 34 ARG O 1 38 ASP H 1.950 . 2.100 2.021 1.947 2.145 0.045 10 0 "[ . 1 . 2 .]" 2
42 1 34 ARG O 1 38 ASP N 2.900 2.700 3.100 2.781 2.710 2.901 . 0 0 "[ . 1 . 2 .]" 2
43 1 35 LEU O 1 38 ASP H 1.950 . 2.100 2.132 2.119 2.152 0.052 6 0 "[ . 1 . 2 .]" 2
44 1 35 LEU O 1 38 ASP N 2.900 2.700 3.100 2.725 2.702 2.745 . 0 0 "[ . 1 . 2 .]" 2
45 1 35 LEU O 1 39 ASP H 1.950 . 2.100 1.869 1.788 1.983 0.012 13 0 "[ . 1 . 2 .]" 2
46 1 35 LEU O 1 39 ASP N 2.900 2.700 3.100 2.807 2.740 2.893 . 0 0 "[ . 1 . 2 .]" 2
47 1 36 ILE O 1 40 GLU H 1.950 . 2.100 2.104 2.043 2.128 0.028 10 0 "[ . 1 . 2 .]" 2
48 1 36 ILE O 1 40 GLU N 2.900 2.700 3.100 2.900 2.787 2.958 . 0 0 "[ . 1 . 2 .]" 2
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