NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408091 |
1ysm   |
6498 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ysm
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 605
_Distance_constraint_stats_list.Viol_count 149
_Distance_constraint_stats_list.Viol_total 79.615
_Distance_constraint_stats_list.Viol_max 0.122
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0267
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 SER 0.039 0.011 5 0 "[ . 1 . 2]"
1 4 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.039 0.011 5 0 "[ . 1 . 2]"
1 8 LEU 0.578 0.084 11 0 "[ . 1 . 2]"
1 9 GLN 0.005 0.002 19 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.636 0.084 12 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.113 0.032 15 0 "[ . 1 . 2]"
1 16 LYS 0.636 0.084 12 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.036 0.016 12 0 "[ . 1 . 2]"
1 19 LEU 0.629 0.069 8 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.232 0.071 1 0 "[ . 1 . 2]"
1 23 THR 0.787 0.122 15 0 "[ . 1 . 2]"
1 24 ARG 0.188 0.071 1 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ARG 1.458 0.122 15 0 "[ . 1 . 2]"
1 27 LEU 0.480 0.069 8 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.158 0.029 1 0 "[ . 1 . 2]"
1 30 THR 0.389 0.069 17 0 "[ . 1 . 2]"
1 31 LEU 0.079 0.018 6 0 "[ . 1 . 2]"
1 32 THR 0.006 0.006 6 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.053 0.019 10 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLU 0.053 0.019 10 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.599 0.084 11 0 "[ . 1 . 2]"
1 43 LYS 0.026 0.026 3 0 "[ . 1 . 2]"
1 44 ASN 0.177 0.095 12 0 "[ . 1 . 2]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.177 0.095 12 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 0.101 0.040 11 0 "[ . 1 . 2]"
1 55 GLU 0.101 0.040 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET ME . . 5.530 4.026 2.568 4.537 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 4 VAL H . . 4.500 3.261 3.059 3.647 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 4 VAL HB . . 4.500 3.134 2.578 4.163 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 4 VAL MG2 . . 5.530 2.785 2.326 3.265 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 5 LEU MD1 . . 6.410 3.795 3.055 4.694 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET ME 1 5 LEU MD1 . . 6.560 3.571 2.421 4.554 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET ME 1 5 LEU HG . . 5.530 3.902 2.981 4.624 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET QG 1 5 LEU MD2 . . 7.910 4.074 2.600 5.782 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET QG 1 5 LEU HG . . 6.880 3.648 2.288 5.349 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA HA 1 3 SER H . . 6.000 3.593 3.539 3.640 . 0 0 "[ . 1 . 2]" 1
11 1 2 ALA HA 1 5 LEU HA . . 6.000 5.378 5.148 5.502 . 0 0 "[ . 1 . 2]" 1
12 1 2 ALA HA 1 5 LEU HB2 . . 4.500 2.665 2.474 2.883 . 0 0 "[ . 1 . 2]" 1
13 1 2 ALA HA 1 5 LEU HB3 . . 4.500 4.273 4.100 4.480 . 0 0 "[ . 1 . 2]" 1
14 1 2 ALA HA 1 5 LEU HG . . 4.500 3.300 2.881 3.772 . 0 0 "[ . 1 . 2]" 1
15 1 2 ALA MB 1 3 SER H . . 7.030 2.466 2.298 2.674 . 0 0 "[ . 1 . 2]" 1
16 1 2 ALA MB 1 5 LEU HB2 . . 7.030 4.069 3.845 4.223 . 0 0 "[ . 1 . 2]" 1
17 1 2 ALA MB 1 5 LEU MD2 . . 8.060 5.560 5.391 5.611 . 0 0 "[ . 1 . 2]" 1
18 1 2 ALA MB 1 5 LEU HG . . 7.030 4.796 4.464 5.180 . 0 0 "[ . 1 . 2]" 1
19 1 2 ALA MB 1 6 GLU QB . . 7.910 4.448 3.996 4.809 . 0 0 "[ . 1 . 2]" 1
20 1 2 ALA MB 1 6 GLU QG . . 7.910 4.465 3.223 5.874 . 0 0 "[ . 1 . 2]" 1
21 1 3 SER H 1 7 GLU H . . 6.000 5.975 5.930 6.011 0.011 5 0 "[ . 1 . 2]" 1
22 1 3 SER HA 1 4 VAL H . . 6.000 3.581 3.529 3.611 . 0 0 "[ . 1 . 2]" 1
23 1 3 SER HA 1 5 LEU H . . 6.000 4.733 4.586 4.921 . 0 0 "[ . 1 . 2]" 1
24 1 3 SER HA 1 6 GLU H . . 6.000 3.683 3.513 3.988 . 0 0 "[ . 1 . 2]" 1
25 1 3 SER HA 1 7 GLU H . . 6.000 4.024 3.914 4.125 . 0 0 "[ . 1 . 2]" 1
26 1 3 SER QB 1 7 GLU QG . . 7.760 4.413 3.618 5.883 . 0 0 "[ . 1 . 2]" 1
27 1 4 VAL HA 1 5 LEU H . . 4.500 3.600 3.590 3.622 . 0 0 "[ . 1 . 2]" 1
28 1 4 VAL HA 1 7 GLU H . . 4.500 3.380 3.024 3.795 . 0 0 "[ . 1 . 2]" 1
29 1 4 VAL HA 1 8 LEU H . . 6.000 3.890 3.735 4.029 . 0 0 "[ . 1 . 2]" 1
30 1 4 VAL HB 1 5 LEU H . . 4.500 2.574 2.404 2.911 . 0 0 "[ . 1 . 2]" 1
31 1 4 VAL HB 1 7 GLU QG . . 6.880 5.960 4.818 6.185 . 0 0 "[ . 1 . 2]" 1
32 1 4 VAL MG1 1 8 LEU HB3 . . 7.030 4.962 4.605 5.215 . 0 0 "[ . 1 . 2]" 1
33 1 5 LEU H 1 5 LEU HG . . 4.500 2.215 2.117 2.393 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU HA 1 5 LEU HG . . 4.500 3.145 2.876 3.283 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU HA 1 8 LEU HB2 . . 6.000 2.849 2.670 3.349 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU HA 1 8 LEU HB3 . . 6.000 4.510 4.330 5.055 . 0 0 "[ . 1 . 2]" 1
37 1 5 LEU HA 1 8 LEU MD2 . . 7.030 5.081 4.898 5.603 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU HB2 1 6 GLU H . . 4.500 2.515 2.381 2.582 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU HB2 1 8 LEU H . . 6.000 5.720 5.591 5.919 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HB3 1 6 GLU H . . 4.500 3.566 3.380 3.664 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU HB3 1 8 LEU H . . 6.000 5.570 5.393 5.874 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU MD1 1 9 GLN QG . . 7.910 6.856 6.133 7.413 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU MD2 1 6 GLU H . . 7.030 4.709 4.603 4.811 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU MD2 1 9 GLN QG . . 7.910 6.526 5.475 7.143 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLU HA 1 10 LYS H . . 4.500 3.902 3.661 3.996 . 0 0 "[ . 1 . 2]" 1
46 1 7 GLU HA 1 8 LEU H . . 4.500 3.604 3.594 3.611 . 0 0 "[ . 1 . 2]" 1
47 1 7 GLU HA 1 10 LYS H . . 4.500 3.473 3.222 3.726 . 0 0 "[ . 1 . 2]" 1
48 1 7 GLU HA 1 11 ASP H . . 4.500 4.001 3.858 4.211 . 0 0 "[ . 1 . 2]" 1
49 1 7 GLU QB 1 8 LEU H . . 5.380 2.576 2.251 3.582 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLU QG 1 8 LEU H . . 6.880 3.904 2.194 4.284 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU H 1 8 LEU MD1 . . 5.530 3.497 3.355 3.717 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU H 1 8 LEU HG . . 4.500 2.280 2.168 2.386 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU H 1 9 GLN H . . 4.500 2.773 2.724 2.853 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU HA 1 9 GLN H . . 4.500 3.597 3.585 3.607 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU HB2 1 9 GLN H . . 4.500 2.639 2.539 2.779 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU HB2 1 42 LEU HB2 . . 6.000 5.150 4.799 5.570 . 0 0 "[ . 1 . 2]" 1
57 1 8 LEU HB3 1 9 GLN H . . 4.500 3.646 3.541 3.854 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU HB3 1 11 ASP H . . 6.000 5.391 5.211 5.563 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU HB3 1 42 LEU HB2 . . 6.000 4.428 4.256 4.574 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU HB3 1 42 LEU HB3 . . 6.000 6.029 6.001 6.084 0.084 11 0 "[ . 1 . 2]" 1
61 1 8 LEU MD1 1 9 GLN H . . 5.530 4.481 4.349 4.621 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU MD1 1 41 GLU HB2 . . 5.530 3.769 2.690 4.606 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU MD1 1 41 GLU HB3 . . 7.030 3.686 2.737 4.603 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU MD1 1 41 GLU QG . . 7.910 5.126 4.002 5.870 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU MD1 1 42 LEU HB2 . . 7.030 2.346 2.071 3.168 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU MD1 1 42 LEU HB3 . . 7.030 3.803 3.503 4.587 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU MD1 1 42 LEU MD1 . . 8.060 2.465 2.081 4.402 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU MD1 1 42 LEU MD2 . . 8.060 3.279 2.316 4.050 . 0 0 "[ . 1 . 2]" 1
69 1 8 LEU MD2 1 9 GLN H . . 7.030 4.814 4.754 4.852 . 0 0 "[ . 1 . 2]" 1
70 1 8 LEU MD2 1 38 ILE HA . . 7.030 2.461 2.159 3.279 . 0 0 "[ . 1 . 2]" 1
71 1 8 LEU MD2 1 41 GLU HB2 . . 5.530 2.421 2.160 2.861 . 0 0 "[ . 1 . 2]" 1
72 1 8 LEU MD2 1 41 GLU HB3 . . 7.030 2.605 2.389 3.080 . 0 0 "[ . 1 . 2]" 1
73 1 8 LEU MD2 1 41 GLU QG . . 7.910 3.699 2.969 4.229 . 0 0 "[ . 1 . 2]" 1
74 1 8 LEU MD2 1 42 LEU HB2 . . 7.030 3.328 2.341 4.332 . 0 0 "[ . 1 . 2]" 1
75 1 8 LEU MD2 1 42 LEU HB3 . . 7.030 4.476 3.412 5.425 . 0 0 "[ . 1 . 2]" 1
76 1 8 LEU MD2 1 42 LEU MD1 . . 8.060 4.210 3.392 6.121 . 0 0 "[ . 1 . 2]" 1
77 1 8 LEU MD2 1 42 LEU MD2 . . 8.060 4.524 3.674 5.444 . 0 0 "[ . 1 . 2]" 1
78 1 8 LEU HG 1 9 GLN H . . 4.500 4.455 4.333 4.502 0.002 19 0 "[ . 1 . 2]" 1
79 1 9 GLN H 1 10 LYS H . . 4.500 2.811 2.767 2.875 . 0 0 "[ . 1 . 2]" 1
80 1 9 GLN HA 1 10 LYS H . . 4.500 3.600 3.586 3.620 . 0 0 "[ . 1 . 2]" 1
81 1 9 GLN HA 1 12 LEU H . . 4.500 3.418 3.219 3.569 . 0 0 "[ . 1 . 2]" 1
82 1 9 GLN HA 1 12 LEU HB2 . . 4.500 3.004 2.395 3.406 . 0 0 "[ . 1 . 2]" 1
83 1 9 GLN HA 1 12 LEU MD1 . . 7.030 3.484 2.999 4.957 . 0 0 "[ . 1 . 2]" 1
84 1 9 GLN QB 1 12 LEU H . . 6.880 4.999 4.850 5.124 . 0 0 "[ . 1 . 2]" 1
85 1 9 GLN HB3 1 10 LYS H . . 4.500 2.602 2.466 2.770 . 0 0 "[ . 1 . 2]" 1
86 1 9 GLN QE 1 12 LEU MD2 . . 7.910 4.353 2.086 5.885 . 0 0 "[ . 1 . 2]" 1
87 1 9 GLN QG 1 10 LYS H . . 6.880 3.863 3.500 4.344 . 0 0 "[ . 1 . 2]" 1
88 1 9 GLN QG 1 12 LEU MD1 . . 7.910 4.381 3.309 5.875 . 0 0 "[ . 1 . 2]" 1
89 1 9 GLN QG 1 12 LEU MD2 . . 6.410 4.364 3.224 4.766 . 0 0 "[ . 1 . 2]" 1
90 1 10 LYS H 1 10 LYS QE . . 6.880 5.325 3.847 6.126 . 0 0 "[ . 1 . 2]" 1
91 1 10 LYS H 1 11 ASP H . . 4.500 2.787 2.705 2.843 . 0 0 "[ . 1 . 2]" 1
92 1 10 LYS H 1 12 LEU H . . 6.000 4.203 4.081 4.374 . 0 0 "[ . 1 . 2]" 1
93 1 10 LYS HA 1 11 ASP H . . 4.500 3.607 3.585 3.629 . 0 0 "[ . 1 . 2]" 1
94 1 10 LYS HA 1 14 GLU H . . 4.500 4.033 3.929 4.204 . 0 0 "[ . 1 . 2]" 1
95 1 10 LYS HB2 1 11 ASP H . . 4.500 3.855 3.545 3.991 . 0 0 "[ . 1 . 2]" 1
96 1 10 LYS HB3 1 11 ASP H . . 4.500 2.564 2.362 2.718 . 0 0 "[ . 1 . 2]" 1
97 1 10 LYS QD 1 11 ASP H . . 6.880 4.164 3.025 5.304 . 0 0 "[ . 1 . 2]" 1
98 1 10 LYS QD 1 13 GLU H . . 6.880 5.085 4.319 6.220 . 0 0 "[ . 1 . 2]" 1
99 1 10 LYS QD 1 14 GLU H . . 6.880 4.202 3.308 5.815 . 0 0 "[ . 1 . 2]" 1
100 1 10 LYS QE 1 11 ASP H . . 6.880 4.911 2.659 5.671 . 0 0 "[ . 1 . 2]" 1
101 1 10 LYS QE 1 14 GLU QG . . 7.760 4.311 2.605 6.168 . 0 0 "[ . 1 . 2]" 1
102 1 10 LYS QG 1 11 ASP H . . 6.880 3.842 3.290 4.437 . 0 0 "[ . 1 . 2]" 1
103 1 10 LYS QG 1 13 GLU QG . . 7.760 5.219 4.204 5.780 . 0 0 "[ . 1 . 2]" 1
104 1 10 LYS QG 1 14 GLU H . . 6.880 4.404 3.792 5.338 . 0 0 "[ . 1 . 2]" 1
105 1 11 ASP H 1 12 LEU H . . 4.500 2.810 2.717 2.896 . 0 0 "[ . 1 . 2]" 1
106 1 11 ASP H 1 38 ILE MD . . 7.030 5.037 4.369 5.782 . 0 0 "[ . 1 . 2]" 1
107 1 11 ASP HA 1 12 LEU H . . 4.500 3.578 3.527 3.608 . 0 0 "[ . 1 . 2]" 1
108 1 11 ASP HA 1 38 ILE MD . . 7.030 4.724 4.143 5.406 . 0 0 "[ . 1 . 2]" 1
109 1 11 ASP QB 1 38 ILE MG . . 6.410 4.193 3.608 4.480 . 0 0 "[ . 1 . 2]" 1
110 1 11 ASP HB2 1 12 LEU H . . 4.500 3.840 3.719 3.938 . 0 0 "[ . 1 . 2]" 1
111 1 11 ASP HB2 1 38 ILE MD . . 7.030 4.490 3.372 5.213 . 0 0 "[ . 1 . 2]" 1
112 1 11 ASP HB2 1 38 ILE MG . . 7.030 5.640 5.064 5.869 . 0 0 "[ . 1 . 2]" 1
113 1 11 ASP HB3 1 12 LEU H . . 4.500 2.576 2.414 2.870 . 0 0 "[ . 1 . 2]" 1
114 1 11 ASP HB3 1 38 ILE MD . . 7.030 3.156 2.241 4.034 . 0 0 "[ . 1 . 2]" 1
115 1 11 ASP HB3 1 38 ILE MG . . 7.030 4.325 3.693 4.654 . 0 0 "[ . 1 . 2]" 1
116 1 12 LEU H 1 12 LEU HG . . 4.500 4.288 4.003 4.500 0.000 14 0 "[ . 1 . 2]" 1
117 1 12 LEU H 1 13 GLU H . . 4.500 2.825 2.608 2.954 . 0 0 "[ . 1 . 2]" 1
118 1 12 LEU H 1 14 GLU H . . 6.000 4.228 4.000 4.373 . 0 0 "[ . 1 . 2]" 1
119 1 12 LEU H 1 15 VAL MG1 . . 7.030 4.324 4.065 5.863 . 0 0 "[ . 1 . 2]" 1
120 1 12 LEU H 1 16 LYS H . . 6.000 6.026 5.947 6.084 0.084 12 0 "[ . 1 . 2]" 1
121 1 12 LEU H 1 38 ILE MD . . 7.030 3.282 2.824 3.800 . 0 0 "[ . 1 . 2]" 1
122 1 12 LEU H 1 38 ILE MG . . 7.030 4.646 4.150 5.180 . 0 0 "[ . 1 . 2]" 1
123 1 12 LEU HA 1 12 LEU HG . . 3.500 2.448 2.340 2.760 . 0 0 "[ . 1 . 2]" 1
124 1 12 LEU HA 1 13 GLU H . . 6.000 3.604 3.561 3.652 . 0 0 "[ . 1 . 2]" 1
125 1 12 LEU HA 1 15 VAL H . . 4.500 3.548 3.059 3.777 . 0 0 "[ . 1 . 2]" 1
126 1 12 LEU HA 1 15 VAL MG1 . . 7.030 2.212 1.991 3.547 . 0 0 "[ . 1 . 2]" 1
127 1 12 LEU HA 1 15 VAL MG2 . . 7.030 4.610 3.075 4.857 . 0 0 "[ . 1 . 2]" 1
128 1 12 LEU HA 1 16 LYS H . . 6.000 4.033 3.827 4.195 . 0 0 "[ . 1 . 2]" 1
129 1 12 LEU HA 1 38 ILE MD . . 7.030 2.599 2.267 4.152 . 0 0 "[ . 1 . 2]" 1
130 1 12 LEU HA 1 38 ILE MG . . 7.030 4.739 4.027 5.312 . 0 0 "[ . 1 . 2]" 1
131 1 12 LEU HB2 1 13 GLU H . . 4.500 3.691 3.435 3.934 . 0 0 "[ . 1 . 2]" 1
132 1 12 LEU HB2 1 15 VAL MG1 . . 7.030 4.309 4.077 5.264 . 0 0 "[ . 1 . 2]" 1
133 1 12 LEU HB2 1 38 ILE MD . . 7.030 2.822 2.439 3.608 . 0 0 "[ . 1 . 2]" 1
134 1 12 LEU HB3 1 13 GLU H . . 4.500 2.541 2.340 2.779 . 0 0 "[ . 1 . 2]" 1
135 1 12 LEU HB3 1 15 VAL MG1 . . 7.030 4.563 4.354 5.715 . 0 0 "[ . 1 . 2]" 1
136 1 12 LEU HB3 1 16 LYS QE . . 5.380 4.516 3.417 4.824 . 0 0 "[ . 1 . 2]" 1
137 1 12 LEU HB3 1 38 ILE MD . . 7.030 4.187 3.902 4.949 . 0 0 "[ . 1 . 2]" 1
138 1 12 LEU MD1 1 13 GLU H . . 7.030 4.626 4.363 4.935 . 0 0 "[ . 1 . 2]" 1
139 1 12 LEU MD1 1 15 VAL MG1 . . 8.060 4.166 2.259 4.652 . 0 0 "[ . 1 . 2]" 1
140 1 12 LEU MD1 1 16 LYS QE . . 7.910 4.160 2.956 5.055 . 0 0 "[ . 1 . 2]" 1
141 1 12 LEU MD2 1 13 GLU H . . 5.530 3.569 2.939 4.103 . 0 0 "[ . 1 . 2]" 1
142 1 12 LEU MD2 1 15 VAL H . . 7.030 5.072 4.611 5.919 . 0 0 "[ . 1 . 2]" 1
143 1 12 LEU MD2 1 15 VAL MG1 . . 8.060 3.350 2.509 4.269 . 0 0 "[ . 1 . 2]" 1
144 1 12 LEU MD2 1 16 LYS H . . 7.030 3.879 3.392 5.268 . 0 0 "[ . 1 . 2]" 1
145 1 12 LEU MD2 1 16 LYS QE . . 7.910 2.352 1.984 3.523 . 0 0 "[ . 1 . 2]" 1
146 1 12 LEU HG 1 13 GLU H . . 6.000 4.699 4.045 5.126 . 0 0 "[ . 1 . 2]" 1
147 1 12 LEU HG 1 15 VAL MG2 . . 7.030 5.468 4.368 5.859 . 0 0 "[ . 1 . 2]" 1
148 1 13 GLU H 1 14 GLU H . . 4.500 2.804 2.675 2.899 . 0 0 "[ . 1 . 2]" 1
149 1 13 GLU H 1 15 VAL H . . 6.000 4.432 4.068 4.604 . 0 0 "[ . 1 . 2]" 1
150 1 13 GLU HA 1 14 GLU H . . 4.500 3.595 3.553 3.627 . 0 0 "[ . 1 . 2]" 1
151 1 13 GLU HA 1 15 VAL H . . 6.000 4.717 4.418 4.937 . 0 0 "[ . 1 . 2]" 1
152 1 13 GLU HA 1 16 LYS H . . 6.000 3.516 3.252 3.825 . 0 0 "[ . 1 . 2]" 1
153 1 13 GLU HA 1 16 LYS QB . . 6.880 2.663 2.345 4.111 . 0 0 "[ . 1 . 2]" 1
154 1 13 GLU HA 1 16 LYS QD . . 5.380 3.650 2.448 4.808 . 0 0 "[ . 1 . 2]" 1
155 1 13 GLU HA 1 16 LYS QG . . 6.880 3.905 2.103 4.910 . 0 0 "[ . 1 . 2]" 1
156 1 13 GLU HA 1 17 VAL H . . 6.000 3.887 3.641 4.301 . 0 0 "[ . 1 . 2]" 1
157 1 13 GLU QB 1 14 GLU H . . 5.380 2.527 2.396 2.624 . 0 0 "[ . 1 . 2]" 1
158 1 13 GLU QB 1 16 LYS H . . 6.880 5.069 4.963 5.227 . 0 0 "[ . 1 . 2]" 1
159 1 13 GLU QG 1 14 GLU H . . 6.880 3.881 3.612 4.286 . 0 0 "[ . 1 . 2]" 1
160 1 13 GLU QG 1 17 VAL MG1 . . 7.910 4.918 4.409 5.907 . 0 0 "[ . 1 . 2]" 1
161 1 13 GLU QG 1 17 VAL MG2 . . 7.910 2.746 2.335 3.755 . 0 0 "[ . 1 . 2]" 1
162 1 14 GLU H 1 15 VAL H . . 4.500 2.938 2.799 3.051 . 0 0 "[ . 1 . 2]" 1
163 1 14 GLU HA 1 15 VAL H . . 6.000 3.643 3.595 3.665 . 0 0 "[ . 1 . 2]" 1
164 1 14 GLU HA 1 16 LYS H . . 6.000 4.611 4.495 4.846 . 0 0 "[ . 1 . 2]" 1
165 1 14 GLU HA 1 17 VAL H . . 4.500 3.613 3.438 3.927 . 0 0 "[ . 1 . 2]" 1
166 1 14 GLU HA 1 17 VAL HB . . 4.500 2.663 2.471 2.885 . 0 0 "[ . 1 . 2]" 1
167 1 14 GLU HA 1 17 VAL MG2 . . 7.030 3.466 3.110 3.853 . 0 0 "[ . 1 . 2]" 1
168 1 14 GLU HA 1 18 LEU H . . 6.000 3.934 3.677 4.213 . 0 0 "[ . 1 . 2]" 1
169 1 14 GLU HA 1 18 LEU MD1 . . 7.030 4.783 3.977 5.728 . 0 0 "[ . 1 . 2]" 1
170 1 14 GLU QB 1 15 VAL H . . 6.880 2.504 2.341 2.755 . 0 0 "[ . 1 . 2]" 1
171 1 14 GLU QB 1 17 VAL H . . 6.880 5.111 4.999 5.292 . 0 0 "[ . 1 . 2]" 1
172 1 14 GLU QB 1 17 VAL MG2 . . 7.910 5.034 4.739 5.358 . 0 0 "[ . 1 . 2]" 1
173 1 14 GLU QB 1 18 LEU H . . 6.880 4.889 4.457 5.292 . 0 0 "[ . 1 . 2]" 1
174 1 14 GLU QG 1 15 VAL H . . 6.880 4.020 3.591 4.647 . 0 0 "[ . 1 . 2]" 1
175 1 14 GLU QG 1 18 LEU MD1 . . 7.910 3.934 2.334 5.730 . 0 0 "[ . 1 . 2]" 1
176 1 14 GLU QG 1 18 LEU MD2 . . 7.910 4.781 3.694 5.873 . 0 0 "[ . 1 . 2]" 1
177 1 15 VAL H 1 16 LYS H . . 4.500 2.844 2.751 3.011 . 0 0 "[ . 1 . 2]" 1
178 1 15 VAL H 1 17 VAL H . . 6.000 4.458 4.299 4.603 . 0 0 "[ . 1 . 2]" 1
179 1 15 VAL H 1 19 LEU H . . 6.000 5.924 5.846 6.032 0.032 15 0 "[ . 1 . 2]" 1
180 1 15 VAL HA 1 16 LYS H . . 4.500 3.610 3.581 3.641 . 0 0 "[ . 1 . 2]" 1
181 1 15 VAL HA 1 18 LEU HB3 . . 4.500 4.222 3.765 4.510 0.010 20 0 "[ . 1 . 2]" 1
182 1 15 VAL HA 1 18 LEU MD1 . . 7.030 2.918 2.518 3.406 . 0 0 "[ . 1 . 2]" 1
183 1 15 VAL HA 1 18 LEU MD2 . . 7.030 4.953 4.594 5.218 . 0 0 "[ . 1 . 2]" 1
184 1 15 VAL HA 1 19 LEU H . . 4.500 3.765 3.549 4.023 . 0 0 "[ . 1 . 2]" 1
185 1 15 VAL HB 1 16 LYS H . . 4.500 4.043 2.692 4.256 . 0 0 "[ . 1 . 2]" 1
186 1 15 VAL HB 1 18 LEU MD1 . . 7.030 4.391 3.786 5.833 . 0 0 "[ . 1 . 2]" 1
187 1 15 VAL HB 1 19 LEU H . . 6.000 5.733 5.514 6.015 0.015 14 0 "[ . 1 . 2]" 1
188 1 15 VAL MG1 1 16 LYS H . . 7.030 2.367 2.112 2.883 . 0 0 "[ . 1 . 2]" 1
189 1 15 VAL MG1 1 19 LEU QB . . 7.910 4.470 3.345 5.364 . 0 0 "[ . 1 . 2]" 1
190 1 15 VAL MG1 1 19 LEU MD1 . . 8.060 4.297 2.679 5.473 . 0 0 "[ . 1 . 2]" 1
191 1 15 VAL MG2 1 16 LYS H . . 7.030 3.693 3.424 4.173 . 0 0 "[ . 1 . 2]" 1
192 1 15 VAL MG2 1 18 LEU MD1 . . 6.560 3.811 2.723 4.492 . 0 0 "[ . 1 . 2]" 1
193 1 15 VAL MG2 1 19 LEU QB . . 7.910 3.387 2.675 5.915 . 0 0 "[ . 1 . 2]" 1
194 1 15 VAL MG2 1 19 LEU MD1 . . 8.060 3.291 2.446 4.783 . 0 0 "[ . 1 . 2]" 1
195 1 15 VAL MG2 1 19 LEU MD2 . . 6.560 3.806 2.138 4.562 . 0 0 "[ . 1 . 2]" 1
196 1 15 VAL MG2 1 30 THR HA . . 7.030 4.404 3.823 4.931 . 0 0 "[ . 1 . 2]" 1
197 1 15 VAL MG2 1 34 GLU QG . . 7.910 3.218 1.981 4.433 . 0 0 "[ . 1 . 2]" 1
198 1 16 LYS H 1 16 LYS QD . . 5.380 4.274 2.342 4.808 . 0 0 "[ . 1 . 2]" 1
199 1 16 LYS H 1 16 LYS QE . . 6.880 4.179 3.524 4.799 . 0 0 "[ . 1 . 2]" 1
200 1 16 LYS H 1 17 VAL H . . 4.500 2.884 2.778 2.969 . 0 0 "[ . 1 . 2]" 1
201 1 16 LYS H 1 19 LEU MD1 . . 7.030 5.475 4.435 5.878 . 0 0 "[ . 1 . 2]" 1
202 1 16 LYS HA 1 17 VAL H . . 4.500 3.591 3.564 3.608 . 0 0 "[ . 1 . 2]" 1
203 1 16 LYS HA 1 19 LEU MD2 . . 5.530 3.409 2.293 4.625 . 0 0 "[ . 1 . 2]" 1
204 1 16 LYS QB 1 17 VAL H . . 6.880 2.463 2.268 3.561 . 0 0 "[ . 1 . 2]" 1
205 1 16 LYS QB 1 19 LEU H . . 6.880 4.942 4.688 5.180 . 0 0 "[ . 1 . 2]" 1
206 1 16 LYS QB 1 19 LEU MD1 . . 7.910 5.132 4.068 5.870 . 0 0 "[ . 1 . 2]" 1
207 1 16 LYS QD 1 17 VAL H . . 6.880 4.639 4.139 5.292 . 0 0 "[ . 1 . 2]" 1
208 1 16 LYS QD 1 20 GLU QG . . 7.760 4.951 4.111 6.163 . 0 0 "[ . 1 . 2]" 1
209 1 16 LYS QE 1 17 VAL H . . 6.880 5.117 4.109 6.177 . 0 0 "[ . 1 . 2]" 1
210 1 16 LYS QG 1 17 VAL H . . 6.880 3.836 2.291 4.504 . 0 0 "[ . 1 . 2]" 1
211 1 17 VAL H 1 17 VAL HB . . 3.500 2.367 2.304 2.523 . 0 0 "[ . 1 . 2]" 1
212 1 17 VAL H 1 18 LEU H . . 4.500 2.911 2.826 3.014 . 0 0 "[ . 1 . 2]" 1
213 1 17 VAL H 1 19 LEU H . . 6.000 4.265 4.125 4.493 . 0 0 "[ . 1 . 2]" 1
214 1 17 VAL HA 1 18 LEU H . . 4.500 3.620 3.600 3.638 . 0 0 "[ . 1 . 2]" 1
215 1 17 VAL HA 1 20 GLU H . . 4.500 3.630 3.433 3.932 . 0 0 "[ . 1 . 2]" 1
216 1 17 VAL HA 1 20 GLU QG . . 6.880 3.747 2.282 4.682 . 0 0 "[ . 1 . 2]" 1
217 1 17 VAL HA 1 21 LYS H . . 4.500 3.965 3.808 4.161 . 0 0 "[ . 1 . 2]" 1
218 1 17 VAL HB 1 18 LEU H . . 4.500 2.634 2.540 2.781 . 0 0 "[ . 1 . 2]" 1
219 1 17 VAL HB 1 18 LEU MD2 . . 7.030 4.515 4.151 5.374 . 0 0 "[ . 1 . 2]" 1
220 1 17 VAL HB 1 19 LEU H . . 6.000 5.130 5.006 5.302 . 0 0 "[ . 1 . 2]" 1
221 1 17 VAL MG1 1 18 LEU H . . 7.030 3.133 2.952 3.391 . 0 0 "[ . 1 . 2]" 1
222 1 17 VAL MG1 1 20 GLU H . . 7.030 4.948 4.794 5.134 . 0 0 "[ . 1 . 2]" 1
223 1 17 VAL MG1 1 20 GLU QB . . 7.910 4.042 3.631 5.521 . 0 0 "[ . 1 . 2]" 1
224 1 17 VAL MG1 1 21 LYS H . . 7.030 4.035 3.814 4.256 . 0 0 "[ . 1 . 2]" 1
225 1 17 VAL MG1 1 21 LYS HB2 . . 7.030 3.751 3.557 3.987 . 0 0 "[ . 1 . 2]" 1
226 1 17 VAL MG1 1 21 LYS HB3 . . 7.030 4.746 4.542 4.929 . 0 0 "[ . 1 . 2]" 1
227 1 17 VAL MG1 1 21 LYS QE . . 7.910 2.974 2.183 3.821 . 0 0 "[ . 1 . 2]" 1
228 1 17 VAL MG1 1 21 LYS QG . . 7.910 2.979 2.688 3.327 . 0 0 "[ . 1 . 2]" 1
229 1 17 VAL MG2 1 18 LEU H . . 7.030 4.029 3.978 4.098 . 0 0 "[ . 1 . 2]" 1
230 1 17 VAL MG2 1 19 LEU H . . 7.030 5.555 5.433 5.736 . 0 0 "[ . 1 . 2]" 1
231 1 17 VAL MG2 1 20 GLU H . . 7.030 5.274 5.131 5.491 . 0 0 "[ . 1 . 2]" 1
232 1 17 VAL MG2 1 20 GLU QG . . 7.910 4.889 3.844 5.549 . 0 0 "[ . 1 . 2]" 1
233 1 17 VAL MG2 1 21 LYS H . . 7.030 5.451 5.273 5.636 . 0 0 "[ . 1 . 2]" 1
234 1 17 VAL MG2 1 21 LYS QD . . 7.910 4.377 4.022 5.108 . 0 0 "[ . 1 . 2]" 1
235 1 18 LEU H 1 18 LEU MD2 . . 5.530 3.520 3.294 3.943 . 0 0 "[ . 1 . 2]" 1
236 1 18 LEU H 1 18 LEU HG . . 4.500 2.490 2.295 3.353 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU H 1 20 GLU H . . 6.000 4.365 4.262 4.517 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU H 1 21 LYS QD . . 6.880 4.914 4.628 5.235 . 0 0 "[ . 1 . 2]" 1
239 1 18 LEU H 1 21 LYS QG . . 6.880 5.396 5.222 5.563 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU HA 1 19 LEU H . . 4.500 3.579 3.542 3.618 . 0 0 "[ . 1 . 2]" 1
241 1 18 LEU HA 1 21 LYS H . . 4.500 3.435 3.219 3.587 . 0 0 "[ . 1 . 2]" 1
242 1 18 LEU HA 1 21 LYS HB2 . . 4.500 2.762 2.629 2.906 . 0 0 "[ . 1 . 2]" 1
243 1 18 LEU HA 1 22 SER H . . 4.500 3.155 2.809 3.566 . 0 0 "[ . 1 . 2]" 1
244 1 18 LEU HA 1 22 SER QB . . 5.380 3.923 3.364 4.647 . 0 0 "[ . 1 . 2]" 1
245 1 18 LEU HB2 1 19 LEU H . . 4.500 2.711 2.553 3.049 . 0 0 "[ . 1 . 2]" 1
246 1 18 LEU HB2 1 21 LYS H . . 6.000 5.715 5.560 5.892 . 0 0 "[ . 1 . 2]" 1
247 1 18 LEU HB3 1 26 ARG HE . . 6.000 5.039 3.593 6.016 0.016 12 0 "[ . 1 . 2]" 1
248 1 18 LEU MD1 1 21 LYS QD . . 7.910 5.856 5.610 5.887 . 0 0 "[ . 1 . 2]" 1
249 1 18 LEU MD1 1 22 SER H . . 7.030 5.770 5.488 5.879 . 0 0 "[ . 1 . 2]" 1
250 1 18 LEU MD1 1 22 SER QB . . 6.410 4.705 4.402 4.809 . 0 0 "[ . 1 . 2]" 1
251 1 18 LEU MD1 1 26 ARG QG . . 7.910 5.580 4.502 5.906 . 0 0 "[ . 1 . 2]" 1
252 1 18 LEU MD2 1 21 LYS H . . 7.030 4.876 4.638 5.012 . 0 0 "[ . 1 . 2]" 1
253 1 18 LEU MD2 1 21 LYS HB2 . . 7.030 3.575 3.138 3.744 . 0 0 "[ . 1 . 2]" 1
254 1 18 LEU MD2 1 21 LYS HB3 . . 7.030 4.638 4.145 4.824 . 0 0 "[ . 1 . 2]" 1
255 1 18 LEU MD2 1 21 LYS QD . . 7.910 3.528 3.109 3.827 . 0 0 "[ . 1 . 2]" 1
256 1 18 LEU MD2 1 21 LYS QE . . 7.910 4.886 3.582 5.466 . 0 0 "[ . 1 . 2]" 1
257 1 18 LEU MD2 1 21 LYS QG . . 7.910 4.811 4.578 5.054 . 0 0 "[ . 1 . 2]" 1
258 1 18 LEU MD2 1 22 SER H . . 7.030 4.153 3.850 4.517 . 0 0 "[ . 1 . 2]" 1
259 1 18 LEU MD2 1 22 SER QB . . 7.910 3.731 3.092 4.315 . 0 0 "[ . 1 . 2]" 1
260 1 18 LEU MD2 1 26 ARG QG . . 7.910 5.565 4.167 5.885 . 0 0 "[ . 1 . 2]" 1
261 1 19 LEU H 1 19 LEU MD2 . . 5.530 3.803 2.504 4.337 . 0 0 "[ . 1 . 2]" 1
262 1 19 LEU H 1 19 LEU HG . . 4.500 3.858 2.271 4.502 0.002 20 0 "[ . 1 . 2]" 1
263 1 19 LEU H 1 20 GLU H . . 4.500 2.785 2.690 2.940 . 0 0 "[ . 1 . 2]" 1
264 1 19 LEU H 1 21 LYS H . . 6.000 4.347 4.149 4.530 . 0 0 "[ . 1 . 2]" 1
265 1 19 LEU HA 1 19 LEU HG . . 4.500 2.897 2.446 3.773 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU HA 1 20 GLU H . . 4.500 3.586 3.558 3.630 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU HA 1 22 SER H . . 4.500 4.264 3.765 4.525 0.025 5 0 "[ . 1 . 2]" 1
268 1 19 LEU HA 1 27 LEU HB3 . . 4.500 4.336 3.224 4.569 0.069 8 0 "[ . 1 . 2]" 1
269 1 19 LEU QB 1 20 GLU H . . 6.880 2.486 2.225 3.620 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU QB 1 27 LEU HA . . 6.880 4.027 2.769 4.804 . 0 0 "[ . 1 . 2]" 1
271 1 19 LEU QB 1 27 LEU MD1 . . 7.910 4.394 3.132 5.860 . 0 0 "[ . 1 . 2]" 1
272 1 19 LEU QB 1 27 LEU HG . . 6.880 3.632 2.142 5.911 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU MD1 1 20 GLU H . . 7.030 4.567 3.062 4.805 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU MD1 1 27 LEU HA . . 7.030 3.235 2.234 4.698 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU MD1 1 27 LEU HB3 . . 5.530 2.974 2.261 4.346 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU MD1 1 27 LEU HG . . 5.530 3.243 2.163 4.636 . 0 0 "[ . 1 . 2]" 1
277 1 19 LEU MD2 1 20 GLU H . . 7.030 3.732 2.831 4.737 . 0 0 "[ . 1 . 2]" 1
278 1 19 LEU HG 1 20 GLU H . . 4.500 4.057 2.433 4.347 . 0 0 "[ . 1 . 2]" 1
279 1 20 GLU H 1 21 LYS H . . 3.500 2.844 2.754 2.969 . 0 0 "[ . 1 . 2]" 1
280 1 20 GLU HA 1 21 LYS H . . 4.500 3.610 3.593 3.631 . 0 0 "[ . 1 . 2]" 1
281 1 20 GLU QB 1 21 LYS H . . 5.380 2.448 2.252 3.463 . 0 0 "[ . 1 . 2]" 1
282 1 20 GLU QG 1 21 LYS H . . 6.880 4.013 2.182 4.245 . 0 0 "[ . 1 . 2]" 1
283 1 21 LYS H 1 21 LYS HB2 . . 3.500 2.403 2.351 2.473 . 0 0 "[ . 1 . 2]" 1
284 1 21 LYS H 1 21 LYS QE . . 6.880 4.926 4.517 5.267 . 0 0 "[ . 1 . 2]" 1
285 1 21 LYS HA 1 22 SER H . . 4.500 3.593 3.540 3.638 . 0 0 "[ . 1 . 2]" 1
286 1 21 LYS HA 1 23 THR MG . . 7.030 4.667 3.463 5.837 . 0 0 "[ . 1 . 2]" 1
287 1 21 LYS HB2 1 22 SER H . . 4.500 2.478 2.278 2.786 . 0 0 "[ . 1 . 2]" 1
288 1 21 LYS HB3 1 22 SER H . . 4.500 3.366 3.099 3.709 . 0 0 "[ . 1 . 2]" 1
289 1 21 LYS QD 1 22 SER H . . 6.880 4.610 4.370 4.996 . 0 0 "[ . 1 . 2]" 1
290 1 21 LYS QG 1 22 SER H . . 6.880 4.141 4.083 4.207 . 0 0 "[ . 1 . 2]" 1
291 1 22 SER H 1 23 THR H . . 6.000 3.400 2.587 3.741 . 0 0 "[ . 1 . 2]" 1
292 1 22 SER H 1 24 ARG H . . 6.000 5.348 5.099 5.719 . 0 0 "[ . 1 . 2]" 1
293 1 22 SER HA 1 24 ARG HG2 . . 6.000 4.917 3.002 6.023 0.023 15 0 "[ . 1 . 2]" 1
294 1 22 SER HA 1 24 ARG HG3 . . 6.000 4.873 3.475 6.071 0.071 1 0 "[ . 1 . 2]" 1
295 1 22 SER QB 1 23 THR H . . 6.880 3.706 2.413 4.015 . 0 0 "[ . 1 . 2]" 1
296 1 22 SER QB 1 24 ARG H . . 6.880 3.657 3.068 4.197 . 0 0 "[ . 1 . 2]" 1
297 1 23 THR H 1 24 ARG H . . 6.000 3.375 2.684 3.702 . 0 0 "[ . 1 . 2]" 1
298 1 23 THR H 1 27 LEU MD1 . . 7.030 3.769 1.942 5.151 . 0 0 "[ . 1 . 2]" 1
299 1 23 THR HA 1 24 ARG H . . 6.000 3.072 2.546 3.583 . 0 0 "[ . 1 . 2]" 1
300 1 23 THR HA 1 26 ARG H . . 6.000 5.959 5.598 6.122 0.122 15 0 "[ . 1 . 2]" 1
301 1 23 THR HA 1 27 LEU H . . 6.000 4.668 4.027 5.629 . 0 0 "[ . 1 . 2]" 1
302 1 23 THR HB 1 24 ARG H . . 6.000 3.963 2.554 4.649 . 0 0 "[ . 1 . 2]" 1
303 1 23 THR MG 1 24 ARG H . . 7.030 4.235 3.449 4.521 . 0 0 "[ . 1 . 2]" 1
304 1 24 ARG H 1 24 ARG HE . . 6.000 3.966 1.997 5.638 . 0 0 "[ . 1 . 2]" 1
305 1 24 ARG H 1 24 ARG HG2 . . 4.500 3.077 1.985 3.985 . 0 0 "[ . 1 . 2]" 1
306 1 24 ARG H 1 26 ARG QG . . 6.880 3.996 2.742 5.541 . 0 0 "[ . 1 . 2]" 1
307 1 24 ARG H 1 27 LEU MD1 . . 7.030 3.233 2.353 4.564 . 0 0 "[ . 1 . 2]" 1
308 1 24 ARG H 1 27 LEU MD2 . . 7.030 4.686 3.749 5.752 . 0 0 "[ . 1 . 2]" 1
309 1 24 ARG HA 1 24 ARG HE . . 6.000 4.420 2.444 5.368 . 0 0 "[ . 1 . 2]" 1
310 1 24 ARG HA 1 25 LYS H . . 6.000 2.586 2.299 3.512 . 0 0 "[ . 1 . 2]" 1
311 1 24 ARG HA 1 26 ARG H . . 6.000 4.308 4.022 5.177 . 0 0 "[ . 1 . 2]" 1
312 1 24 ARG HA 1 27 LEU H . . 6.000 5.447 4.766 6.037 0.037 6 0 "[ . 1 . 2]" 1
313 1 24 ARG HA 1 27 LEU MD2 . . 7.030 5.495 4.667 5.898 . 0 0 "[ . 1 . 2]" 1
314 1 24 ARG QD 1 26 ARG H . . 6.880 5.263 4.417 6.157 . 0 0 "[ . 1 . 2]" 1
315 1 25 LYS HA 1 26 ARG H . . 6.000 3.466 3.099 3.573 . 0 0 "[ . 1 . 2]" 1
316 1 25 LYS QB 1 26 ARG H . . 6.880 3.156 2.496 3.818 . 0 0 "[ . 1 . 2]" 1
317 1 25 LYS QB 1 28 ARG H . . 6.880 4.971 4.066 6.136 . 0 0 "[ . 1 . 2]" 1
318 1 25 LYS QB 1 29 ASP H . . 6.880 5.518 4.535 6.194 . 0 0 "[ . 1 . 2]" 1
319 1 25 LYS QD 1 26 ARG H . . 6.880 4.744 2.260 5.877 . 0 0 "[ . 1 . 2]" 1
320 1 25 LYS QG 1 26 ARG H . . 6.880 3.700 2.481 4.662 . 0 0 "[ . 1 . 2]" 1
321 1 25 LYS QG 1 29 ASP H . . 6.880 5.162 4.066 6.182 . 0 0 "[ . 1 . 2]" 1
322 1 26 ARG H 1 26 ARG HE . . 6.000 5.278 4.702 6.052 0.052 12 0 "[ . 1 . 2]" 1
323 1 26 ARG H 1 27 LEU H . . 4.500 2.915 2.338 3.213 . 0 0 "[ . 1 . 2]" 1
324 1 26 ARG H 1 28 ARG H . . 6.000 4.859 4.468 5.594 . 0 0 "[ . 1 . 2]" 1
325 1 26 ARG HA 1 26 ARG HE . . 6.000 4.006 3.050 5.856 . 0 0 "[ . 1 . 2]" 1
326 1 26 ARG HA 1 27 LEU H . . 6.000 3.510 3.366 3.605 . 0 0 "[ . 1 . 2]" 1
327 1 26 ARG HA 1 29 ASP H . . 6.000 3.393 3.068 3.677 . 0 0 "[ . 1 . 2]" 1
328 1 26 ARG HA 1 29 ASP HB2 . . 6.000 2.865 2.532 2.996 . 0 0 "[ . 1 . 2]" 1
329 1 26 ARG HA 1 29 ASP HB3 . . 4.500 4.458 4.163 4.529 0.029 1 0 "[ . 1 . 2]" 1
330 1 26 ARG HA 1 30 THR H . . 6.000 3.795 3.537 4.033 . 0 0 "[ . 1 . 2]" 1
331 1 26 ARG HB2 1 27 LEU H . . 6.000 3.774 2.695 4.321 . 0 0 "[ . 1 . 2]" 1
332 1 26 ARG HB2 1 29 ASP H . . 6.000 5.415 4.620 6.004 0.004 16 0 "[ . 1 . 2]" 1
333 1 26 ARG HB2 1 30 THR H . . 6.000 4.711 3.567 5.866 . 0 0 "[ . 1 . 2]" 1
334 1 26 ARG HB3 1 27 LEU H . . 6.000 3.744 2.707 4.486 . 0 0 "[ . 1 . 2]" 1
335 1 26 ARG HB3 1 29 ASP H . . 6.000 5.627 4.935 6.009 0.009 8 0 "[ . 1 . 2]" 1
336 1 26 ARG HB3 1 30 THR H . . 6.000 5.005 3.995 5.452 . 0 0 "[ . 1 . 2]" 1
337 1 26 ARG HB3 1 30 THR HB . . 6.000 5.599 4.201 6.053 0.053 10 0 "[ . 1 . 2]" 1
338 1 26 ARG QD 1 27 LEU H . . 6.880 4.785 2.594 5.301 . 0 0 "[ . 1 . 2]" 1
339 1 26 ARG HE 1 30 THR HA . . 6.000 4.627 3.222 6.069 0.069 17 0 "[ . 1 . 2]" 1
340 1 26 ARG HE 1 30 THR MG . . 7.030 3.370 2.541 5.506 . 0 0 "[ . 1 . 2]" 1
341 1 26 ARG QG 1 27 LEU H . . 6.880 3.440 2.334 4.546 . 0 0 "[ . 1 . 2]" 1
342 1 26 ARG QG 1 30 THR H . . 6.880 4.791 3.633 5.756 . 0 0 "[ . 1 . 2]" 1
343 1 27 LEU H 1 27 LEU HG . . 4.500 3.351 2.187 4.063 . 0 0 "[ . 1 . 2]" 1
344 1 27 LEU H 1 28 ARG H . . 4.500 3.059 2.927 3.242 . 0 0 "[ . 1 . 2]" 1
345 1 27 LEU H 1 30 THR MG . . 7.030 5.725 4.970 5.889 . 0 0 "[ . 1 . 2]" 1
346 1 27 LEU HA 1 27 LEU HG . . 4.500 2.592 2.325 2.836 . 0 0 "[ . 1 . 2]" 1
347 1 27 LEU HA 1 28 ARG H . . 6.000 3.600 3.575 3.627 . 0 0 "[ . 1 . 2]" 1
348 1 27 LEU HA 1 30 THR H . . 4.500 3.978 3.641 4.251 . 0 0 "[ . 1 . 2]" 1
349 1 27 LEU HB2 1 28 ARG H . . 6.000 2.566 2.249 2.992 . 0 0 "[ . 1 . 2]" 1
350 1 27 LEU HB3 1 28 ARG H . . 6.000 3.308 2.903 3.880 . 0 0 "[ . 1 . 2]" 1
351 1 27 LEU HB3 1 30 THR H . . 6.000 5.773 5.534 5.933 . 0 0 "[ . 1 . 2]" 1
352 1 27 LEU HB3 1 31 LEU H . . 6.000 4.883 4.718 4.992 . 0 0 "[ . 1 . 2]" 1
353 1 27 LEU MD1 1 28 ARG H . . 7.030 3.971 2.844 4.446 . 0 0 "[ . 1 . 2]" 1
354 1 27 LEU MD2 1 28 ARG H . . 7.030 4.557 4.313 4.751 . 0 0 "[ . 1 . 2]" 1
355 1 27 LEU HG 1 30 THR MG . . 7.030 5.700 4.825 5.899 . 0 0 "[ . 1 . 2]" 1
356 1 28 ARG H 1 29 ASP H . . 4.500 2.743 2.563 2.849 . 0 0 "[ . 1 . 2]" 1
357 1 28 ARG H 1 30 THR H . . 6.000 4.254 4.074 4.434 . 0 0 "[ . 1 . 2]" 1
358 1 28 ARG HA 1 29 ASP H . . 4.500 3.571 3.547 3.596 . 0 0 "[ . 1 . 2]" 1
359 1 28 ARG HA 1 30 THR H . . 6.000 4.738 4.556 4.862 . 0 0 "[ . 1 . 2]" 1
360 1 28 ARG HA 1 31 LEU H . . 4.500 3.791 3.484 4.051 . 0 0 "[ . 1 . 2]" 1
361 1 28 ARG QB 1 29 ASP H . . 6.880 2.388 2.100 3.443 . 0 0 "[ . 1 . 2]" 1
362 1 28 ARG QD 1 29 ASP H . . 6.880 4.516 3.716 5.116 . 0 0 "[ . 1 . 2]" 1
363 1 28 ARG QG 1 29 ASP H . . 6.880 3.651 2.149 4.423 . 0 0 "[ . 1 . 2]" 1
364 1 28 ARG QG 1 31 LEU H . . 6.880 5.566 5.085 5.903 . 0 0 "[ . 1 . 2]" 1
365 1 28 ARG QG 1 31 LEU MD1 . . 7.910 5.293 4.321 5.890 . 0 0 "[ . 1 . 2]" 1
366 1 29 ASP H 1 30 THR H . . 4.500 2.793 2.654 2.908 . 0 0 "[ . 1 . 2]" 1
367 1 29 ASP H 1 31 LEU H . . 6.000 4.334 4.166 4.496 . 0 0 "[ . 1 . 2]" 1
368 1 29 ASP HA 1 30 THR H . . 4.500 3.551 3.513 3.595 . 0 0 "[ . 1 . 2]" 1
369 1 29 ASP HA 1 32 THR H . . 6.000 3.954 3.811 4.075 . 0 0 "[ . 1 . 2]" 1
370 1 29 ASP HA 1 32 THR MG . . 7.030 4.422 4.077 4.826 . 0 0 "[ . 1 . 2]" 1
371 1 29 ASP HB2 1 30 THR H . . 4.500 2.299 2.211 2.417 . 0 0 "[ . 1 . 2]" 1
372 1 29 ASP HB2 1 32 THR H . . 6.000 5.827 5.723 5.955 . 0 0 "[ . 1 . 2]" 1
373 1 29 ASP HB2 1 33 SER H . . 6.000 5.662 5.551 5.820 . 0 0 "[ . 1 . 2]" 1
374 1 29 ASP HB3 1 30 THR H . . 4.500 3.477 3.374 3.639 . 0 0 "[ . 1 . 2]" 1
375 1 29 ASP HB3 1 32 THR H . . 6.000 5.870 5.751 6.006 0.006 6 0 "[ . 1 . 2]" 1
376 1 29 ASP HB3 1 33 SER H . . 6.000 5.036 4.852 5.185 . 0 0 "[ . 1 . 2]" 1
377 1 30 THR H 1 31 LEU H . . 4.500 2.815 2.731 2.907 . 0 0 "[ . 1 . 2]" 1
378 1 30 THR H 1 34 GLU H . . 6.000 5.765 5.292 5.946 . 0 0 "[ . 1 . 2]" 1
379 1 30 THR HA 1 34 GLU H . . 6.000 3.633 3.005 3.910 . 0 0 "[ . 1 . 2]" 1
380 1 30 THR HB 1 31 LEU H . . 4.500 2.551 2.254 3.448 . 0 0 "[ . 1 . 2]" 1
381 1 30 THR MG 1 31 LEU H . . 7.030 3.547 3.172 4.004 . 0 0 "[ . 1 . 2]" 1
382 1 30 THR MG 1 33 SER H . . 7.030 5.219 5.003 5.533 . 0 0 "[ . 1 . 2]" 1
383 1 30 THR MG 1 34 GLU HA . . 7.030 5.391 5.115 5.914 . 0 0 "[ . 1 . 2]" 1
384 1 30 THR MG 1 34 GLU HB2 . . 5.530 3.273 2.899 3.820 . 0 0 "[ . 1 . 2]" 1
385 1 30 THR MG 1 34 GLU HB3 . . 5.530 4.012 3.448 4.622 . 0 0 "[ . 1 . 2]" 1
386 1 30 THR MG 1 34 GLU QG . . 7.910 4.400 3.989 5.078 . 0 0 "[ . 1 . 2]" 1
387 1 31 LEU H 1 31 LEU HG . . 4.500 4.476 4.329 4.518 0.018 6 0 "[ . 1 . 2]" 1
388 1 31 LEU H 1 32 THR H . . 4.500 2.897 2.819 3.074 . 0 0 "[ . 1 . 2]" 1
389 1 31 LEU H 1 33 SER H . . 6.000 4.446 4.314 4.788 . 0 0 "[ . 1 . 2]" 1
390 1 31 LEU HA 1 32 THR H . . 6.000 3.612 3.597 3.634 . 0 0 "[ . 1 . 2]" 1
391 1 31 LEU HB2 1 32 THR H . . 6.000 3.761 3.716 3.826 . 0 0 "[ . 1 . 2]" 1
392 1 31 LEU HB3 1 32 THR H . . 4.500 2.374 2.268 2.462 . 0 0 "[ . 1 . 2]" 1
393 1 31 LEU MD1 1 32 THR H . . 7.030 3.471 2.797 4.501 . 0 0 "[ . 1 . 2]" 1
394 1 31 LEU MD1 1 35 LYS H . . 7.030 4.336 3.778 5.873 . 0 0 "[ . 1 . 2]" 1
395 1 31 LEU MD1 1 35 LYS QD . . 7.910 3.654 2.301 5.816 . 0 0 "[ . 1 . 2]" 1
396 1 31 LEU MD1 1 35 LYS QE . . 7.910 3.413 2.146 5.598 . 0 0 "[ . 1 . 2]" 1
397 1 31 LEU MD2 1 32 THR H . . 7.030 4.027 2.942 4.445 . 0 0 "[ . 1 . 2]" 1
398 1 31 LEU MD2 1 35 LYS H . . 7.030 4.060 3.286 5.870 . 0 0 "[ . 1 . 2]" 1
399 1 31 LEU MD2 1 35 LYS QD . . 7.910 3.767 2.518 5.566 . 0 0 "[ . 1 . 2]" 1
400 1 31 LEU MD2 1 35 LYS QE . . 7.910 3.827 2.148 5.577 . 0 0 "[ . 1 . 2]" 1
401 1 32 THR H 1 33 SER H . . 4.500 2.890 2.799 2.998 . 0 0 "[ . 1 . 2]" 1
402 1 32 THR HA 1 33 SER H . . 4.500 3.600 3.584 3.641 . 0 0 "[ . 1 . 2]" 1
403 1 32 THR HA 1 34 GLU H . . 6.000 4.887 4.722 5.126 . 0 0 "[ . 1 . 2]" 1
404 1 32 THR HA 1 35 LYS H . . 6.000 3.970 3.763 4.278 . 0 0 "[ . 1 . 2]" 1
405 1 32 THR HB 1 33 SER H . . 4.500 2.656 2.337 3.448 . 0 0 "[ . 1 . 2]" 1
406 1 32 THR HB 1 35 LYS H . . 6.000 5.822 5.714 5.996 . 0 0 "[ . 1 . 2]" 1
407 1 32 THR MG 1 33 SER H . . 7.030 3.623 3.413 3.994 . 0 0 "[ . 1 . 2]" 1
408 1 32 THR MG 1 35 LYS H . . 7.030 5.310 5.078 5.706 . 0 0 "[ . 1 . 2]" 1
409 1 32 THR MG 1 35 LYS QD . . 7.910 4.872 3.932 5.881 . 0 0 "[ . 1 . 2]" 1
410 1 32 THR MG 1 35 LYS QE . . 7.910 4.750 3.322 5.873 . 0 0 "[ . 1 . 2]" 1
411 1 32 THR MG 1 36 SER H . . 7.030 4.588 4.134 5.653 . 0 0 "[ . 1 . 2]" 1
412 1 33 SER H 1 34 GLU H . . 6.000 2.891 2.789 3.055 . 0 0 "[ . 1 . 2]" 1
413 1 33 SER H 1 35 LYS H . . 6.000 4.344 4.276 4.431 . 0 0 "[ . 1 . 2]" 1
414 1 33 SER HA 1 34 GLU H . . 4.500 3.618 3.587 3.655 . 0 0 "[ . 1 . 2]" 1
415 1 33 SER HA 1 36 SER H . . 4.500 3.770 3.605 4.074 . 0 0 "[ . 1 . 2]" 1
416 1 33 SER QB 1 34 GLU H . . 6.880 2.588 2.279 3.233 . 0 0 "[ . 1 . 2]" 1
417 1 33 SER QB 1 37 LYS QD . . 7.760 5.112 3.283 6.069 . 0 0 "[ . 1 . 2]" 1
418 1 33 SER QB 1 37 LYS QG . . 7.760 3.954 3.590 5.602 . 0 0 "[ . 1 . 2]" 1
419 1 34 GLU H 1 35 LYS H . . 4.500 2.742 2.556 2.914 . 0 0 "[ . 1 . 2]" 1
420 1 34 GLU HA 1 35 LYS H . . 6.000 3.606 3.582 3.653 . 0 0 "[ . 1 . 2]" 1
421 1 34 GLU HA 1 38 ILE MD . . 7.030 4.446 4.016 5.292 . 0 0 "[ . 1 . 2]" 1
422 1 34 GLU HB2 1 35 LYS H . . 6.000 3.803 3.480 4.030 . 0 0 "[ . 1 . 2]" 1
423 1 34 GLU HB2 1 38 ILE MD . . 7.030 4.778 4.398 5.677 . 0 0 "[ . 1 . 2]" 1
424 1 34 GLU HB3 1 35 LYS H . . 4.500 2.736 2.423 2.903 . 0 0 "[ . 1 . 2]" 1
425 1 34 GLU HB3 1 37 LYS H . . 6.000 5.558 5.235 5.705 . 0 0 "[ . 1 . 2]" 1
426 1 34 GLU QG 1 37 LYS H . . 6.880 4.881 4.397 5.211 . 0 0 "[ . 1 . 2]" 1
427 1 34 GLU QG 1 38 ILE HB . . 6.880 4.535 4.155 5.858 . 0 0 "[ . 1 . 2]" 1
428 1 34 GLU QG 1 38 ILE MD . . 7.910 2.538 2.198 4.003 . 0 0 "[ . 1 . 2]" 1
429 1 35 LYS H 1 35 LYS QE . . 6.880 4.845 4.152 6.098 . 0 0 "[ . 1 . 2]" 1
430 1 35 LYS H 1 36 SER H . . 4.500 2.820 2.737 2.928 . 0 0 "[ . 1 . 2]" 1
431 1 35 LYS H 1 37 LYS H . . 6.000 4.368 4.211 4.550 . 0 0 "[ . 1 . 2]" 1
432 1 35 LYS H 1 38 ILE MD . . 7.030 4.195 3.807 5.875 . 0 0 "[ . 1 . 2]" 1
433 1 35 LYS HA 1 36 SER H . . 6.000 3.612 3.592 3.629 . 0 0 "[ . 1 . 2]" 1
434 1 35 LYS HA 1 37 LYS H . . 6.000 4.686 4.320 4.811 . 0 0 "[ . 1 . 2]" 1
435 1 35 LYS HA 1 38 ILE H . . 6.000 3.571 3.249 3.764 . 0 0 "[ . 1 . 2]" 1
436 1 35 LYS HA 1 38 ILE HA . . 6.000 5.442 5.161 5.618 . 0 0 "[ . 1 . 2]" 1
437 1 35 LYS HA 1 38 ILE HB . . 4.500 2.600 2.413 2.771 . 0 0 "[ . 1 . 2]" 1
438 1 35 LYS HA 1 38 ILE MD . . 7.030 2.690 2.344 4.680 . 0 0 "[ . 1 . 2]" 1
439 1 35 LYS HA 1 38 ILE MG . . 7.030 3.898 3.628 4.047 . 0 0 "[ . 1 . 2]" 1
440 1 35 LYS HA 1 39 GLU H . . 6.000 3.836 3.712 4.074 . 0 0 "[ . 1 . 2]" 1
441 1 35 LYS HB2 1 36 SER H . . 6.000 3.851 3.745 3.943 . 0 0 "[ . 1 . 2]" 1
442 1 35 LYS HB3 1 36 SER H . . 6.000 2.510 2.388 2.679 . 0 0 "[ . 1 . 2]" 1
443 1 35 LYS QD 1 36 SER H . . 6.880 4.485 3.492 5.183 . 0 0 "[ . 1 . 2]" 1
444 1 35 LYS QD 1 39 GLU H . . 6.880 5.616 3.765 6.155 . 0 0 "[ . 1 . 2]" 1
445 1 35 LYS QG 1 36 SER H . . 6.880 3.666 3.359 4.236 . 0 0 "[ . 1 . 2]" 1
446 1 35 LYS QG 1 38 ILE H . . 6.880 5.107 4.794 5.584 . 0 0 "[ . 1 . 2]" 1
447 1 35 LYS QG 1 38 ILE MD . . 7.910 4.177 3.471 5.873 . 0 0 "[ . 1 . 2]" 1
448 1 35 LYS QG 1 38 ILE MG . . 7.910 4.327 3.904 4.690 . 0 0 "[ . 1 . 2]" 1
449 1 35 LYS QG 1 39 GLU H . . 6.880 4.052 3.759 4.909 . 0 0 "[ . 1 . 2]" 1
450 1 36 SER H 1 37 LYS H . . 4.500 2.903 2.819 2.970 . 0 0 "[ . 1 . 2]" 1
451 1 36 SER H 1 38 ILE H . . 6.000 4.419 4.344 4.483 . 0 0 "[ . 1 . 2]" 1
452 1 36 SER HA 1 37 LYS H . . 6.000 3.618 3.597 3.629 . 0 0 "[ . 1 . 2]" 1
453 1 36 SER HA 1 39 GLU HB2 . . 4.500 2.835 2.707 2.964 . 0 0 "[ . 1 . 2]" 1
454 1 36 SER HA 1 39 GLU HB3 . . 4.500 4.441 4.258 4.519 0.019 10 0 "[ . 1 . 2]" 1
455 1 36 SER HA 1 39 GLU QG . . 6.880 4.094 3.711 4.551 . 0 0 "[ . 1 . 2]" 1
456 1 36 SER QB 1 38 ILE H . . 6.880 4.952 4.855 5.394 . 0 0 "[ . 1 . 2]" 1
457 1 36 SER QB 1 39 GLU H . . 6.880 5.150 5.057 5.258 . 0 0 "[ . 1 . 2]" 1
458 1 37 LYS H 1 37 LYS QD . . 5.380 3.405 2.196 3.911 . 0 0 "[ . 1 . 2]" 1
459 1 37 LYS H 1 37 LYS QE . . 6.880 4.547 4.115 5.034 . 0 0 "[ . 1 . 2]" 1
460 1 37 LYS H 1 38 ILE H . . 4.500 2.910 2.695 2.973 . 0 0 "[ . 1 . 2]" 1
461 1 37 LYS H 1 39 GLU H . . 6.000 4.483 4.368 4.556 . 0 0 "[ . 1 . 2]" 1
462 1 37 LYS H 1 40 THR MG . . 7.030 5.885 5.877 5.893 . 0 0 "[ . 1 . 2]" 1
463 1 37 LYS HA 1 37 LYS QE . . 5.380 3.734 2.455 4.333 . 0 0 "[ . 1 . 2]" 1
464 1 37 LYS HA 1 40 THR H . . 4.500 3.590 3.395 3.726 . 0 0 "[ . 1 . 2]" 1
465 1 37 LYS HA 1 40 THR HB . . 4.500 2.541 2.343 2.677 . 0 0 "[ . 1 . 2]" 1
466 1 37 LYS HA 1 40 THR MG . . 5.530 3.817 3.678 3.921 . 0 0 "[ . 1 . 2]" 1
467 1 37 LYS HA 1 41 GLU QG . . 5.380 3.765 3.519 4.186 . 0 0 "[ . 1 . 2]" 1
468 1 37 LYS QB 1 40 THR HB . . 6.880 4.358 4.033 4.553 . 0 0 "[ . 1 . 2]" 1
469 1 37 LYS HB2 1 38 ILE H . . 4.500 2.492 2.388 2.694 . 0 0 "[ . 1 . 2]" 1
470 1 37 LYS HB3 1 38 ILE H . . 4.500 3.396 3.028 3.765 . 0 0 "[ . 1 . 2]" 1
471 1 37 LYS HB3 1 41 GLU QG . . 6.880 3.718 3.425 3.975 . 0 0 "[ . 1 . 2]" 1
472 1 37 LYS QD 1 38 ILE H . . 6.880 4.892 4.299 5.176 . 0 0 "[ . 1 . 2]" 1
473 1 37 LYS QD 1 40 THR H . . 6.880 5.370 5.006 5.669 . 0 0 "[ . 1 . 2]" 1
474 1 37 LYS QD 1 40 THR HB . . 6.880 3.978 3.717 5.019 . 0 0 "[ . 1 . 2]" 1
475 1 37 LYS QD 1 41 GLU QG . . 7.760 4.442 3.746 5.557 . 0 0 "[ . 1 . 2]" 1
476 1 37 LYS QE 1 40 THR HB . . 6.880 5.271 3.595 6.136 . 0 0 "[ . 1 . 2]" 1
477 1 37 LYS QE 1 40 THR MG . . 7.910 4.998 3.741 5.770 . 0 0 "[ . 1 . 2]" 1
478 1 37 LYS QG 1 38 ILE H . . 6.880 4.091 3.803 4.419 . 0 0 "[ . 1 . 2]" 1
479 1 37 LYS QG 1 40 THR H . . 6.880 5.835 5.642 5.953 . 0 0 "[ . 1 . 2]" 1
480 1 37 LYS QG 1 40 THR HB . . 6.880 5.069 4.281 5.367 . 0 0 "[ . 1 . 2]" 1
481 1 38 ILE H 1 39 GLU H . . 4.500 2.939 2.863 2.988 . 0 0 "[ . 1 . 2]" 1
482 1 38 ILE H 1 40 THR H . . 6.000 4.296 4.157 4.369 . 0 0 "[ . 1 . 2]" 1
483 1 38 ILE HA 1 39 GLU H . . 6.000 3.607 3.590 3.622 . 0 0 "[ . 1 . 2]" 1
484 1 38 ILE HA 1 41 GLU H . . 6.000 3.749 3.647 3.852 . 0 0 "[ . 1 . 2]" 1
485 1 38 ILE HA 1 42 LEU H . . 6.000 3.850 3.779 4.000 . 0 0 "[ . 1 . 2]" 1
486 1 38 ILE HB 1 39 GLU H . . 4.500 2.493 2.390 2.610 . 0 0 "[ . 1 . 2]" 1
487 1 38 ILE MD 1 39 GLU H . . 7.030 4.477 4.385 4.787 . 0 0 "[ . 1 . 2]" 1
488 1 38 ILE QG 1 39 GLU H . . 7.030 4.161 3.999 4.231 . 0 0 "[ . 1 . 2]" 1
489 1 38 ILE MG 1 39 GLU H . . 7.030 3.063 2.968 3.253 . 0 0 "[ . 1 . 2]" 1
490 1 38 ILE MG 1 41 GLU QG . . 7.910 5.584 5.294 5.800 . 0 0 "[ . 1 . 2]" 1
491 1 39 GLU H 1 40 THR H . . 4.500 2.803 2.775 2.838 . 0 0 "[ . 1 . 2]" 1
492 1 39 GLU HA 1 42 LEU MD2 . . 7.030 3.277 2.833 5.289 . 0 0 "[ . 1 . 2]" 1
493 1 39 GLU HB2 1 40 THR H . . 4.500 2.636 2.491 2.895 . 0 0 "[ . 1 . 2]" 1
494 1 39 GLU HB3 1 40 THR H . . 4.500 3.466 3.264 3.618 . 0 0 "[ . 1 . 2]" 1
495 1 39 GLU QG 1 40 THR H . . 6.880 4.240 4.143 4.589 . 0 0 "[ . 1 . 2]" 1
496 1 39 GLU QG 1 42 LEU MD1 . . 7.910 5.790 4.767 5.894 . 0 0 "[ . 1 . 2]" 1
497 1 40 THR H 1 40 THR HB . . 3.500 2.501 2.450 2.585 . 0 0 "[ . 1 . 2]" 1
498 1 40 THR H 1 42 LEU H . . 6.000 4.334 4.219 4.424 . 0 0 "[ . 1 . 2]" 1
499 1 40 THR HA 1 44 ASN H . . 4.500 3.899 3.709 4.023 . 0 0 "[ . 1 . 2]" 1
500 1 40 THR HB 1 41 GLU H . . 4.500 2.469 2.384 2.564 . 0 0 "[ . 1 . 2]" 1
501 1 40 THR HB 1 42 LEU H . . 6.000 5.092 4.998 5.199 . 0 0 "[ . 1 . 2]" 1
502 1 40 THR HB 1 44 ASN QD . . 7.910 5.820 4.262 7.061 . 0 0 "[ . 1 . 2]" 1
503 1 40 THR MG 1 41 GLU H . . 7.030 3.331 3.269 3.426 . 0 0 "[ . 1 . 2]" 1
504 1 40 THR MG 1 42 LEU H . . 7.030 5.258 5.172 5.364 . 0 0 "[ . 1 . 2]" 1
505 1 40 THR MG 1 43 LYS H . . 7.030 5.184 5.044 5.331 . 0 0 "[ . 1 . 2]" 1
506 1 40 THR MG 1 43 LYS QB . . 6.410 4.323 4.070 4.647 . 0 0 "[ . 1 . 2]" 1
507 1 40 THR MG 1 44 ASN H . . 7.030 4.192 4.042 4.282 . 0 0 "[ . 1 . 2]" 1
508 1 40 THR MG 1 44 ASN HA . . 7.030 5.299 5.078 5.669 . 0 0 "[ . 1 . 2]" 1
509 1 40 THR MG 1 44 ASN QB . . 7.910 3.451 3.051 4.031 . 0 0 "[ . 1 . 2]" 1
510 1 40 THR MG 1 44 ASN QD . . 8.940 3.737 2.185 5.155 . 0 0 "[ . 1 . 2]" 1
511 1 41 GLU H 1 42 LEU H . . 4.500 2.790 2.730 2.885 . 0 0 "[ . 1 . 2]" 1
512 1 41 GLU H 1 43 LYS H . . 6.000 4.400 4.245 4.546 . 0 0 "[ . 1 . 2]" 1
513 1 41 GLU HA 1 42 LEU H . . 4.500 3.593 3.565 3.611 . 0 0 "[ . 1 . 2]" 1
514 1 41 GLU HA 1 44 ASN H . . 4.500 3.594 3.241 3.912 . 0 0 "[ . 1 . 2]" 1
515 1 41 GLU HA 1 44 ASN QD . . 7.910 3.493 2.880 4.326 . 0 0 "[ . 1 . 2]" 1
516 1 41 GLU HA 1 45 LYS H . . 4.500 3.862 3.613 4.083 . 0 0 "[ . 1 . 2]" 1
517 1 41 GLU QB 1 45 LYS QG . . 7.760 3.592 3.112 4.820 . 0 0 "[ . 1 . 2]" 1
518 1 41 GLU HB2 1 42 LEU H . . 4.500 2.497 2.328 2.942 . 0 0 "[ . 1 . 2]" 1
519 1 41 GLU HB2 1 44 ASN H . . 6.000 5.648 5.496 5.795 . 0 0 "[ . 1 . 2]" 1
520 1 41 GLU HB2 1 44 ASN QD . . 7.910 5.995 5.214 7.056 . 0 0 "[ . 1 . 2]" 1
521 1 41 GLU HB3 1 42 LEU H . . 4.500 3.378 3.231 3.716 . 0 0 "[ . 1 . 2]" 1
522 1 41 GLU HB3 1 44 ASN H . . 6.000 5.532 5.343 5.795 . 0 0 "[ . 1 . 2]" 1
523 1 41 GLU HB3 1 45 LYS H . . 6.000 4.864 4.554 5.072 . 0 0 "[ . 1 . 2]" 1
524 1 41 GLU QG 1 42 LEU H . . 6.880 4.168 4.063 4.394 . 0 0 "[ . 1 . 2]" 1
525 1 41 GLU QG 1 43 LYS H . . 6.880 5.985 5.849 6.138 . 0 0 "[ . 1 . 2]" 1
526 1 41 GLU QG 1 44 ASN H . . 6.880 5.514 5.315 5.792 . 0 0 "[ . 1 . 2]" 1
527 1 41 GLU QG 1 44 ASN QB . . 7.760 4.319 4.069 5.006 . 0 0 "[ . 1 . 2]" 1
528 1 41 GLU QG 1 45 LYS H . . 6.880 5.724 5.571 6.144 . 0 0 "[ . 1 . 2]" 1
529 1 41 GLU QG 1 45 LYS QE . . 7.760 4.989 3.201 6.179 . 0 0 "[ . 1 . 2]" 1
530 1 41 GLU QG 1 45 LYS QG . . 7.760 4.830 4.165 6.161 . 0 0 "[ . 1 . 2]" 1
531 1 42 LEU H 1 42 LEU MD1 . . 5.530 4.123 3.868 4.227 . 0 0 "[ . 1 . 2]" 1
532 1 42 LEU H 1 42 LEU HG . . 4.500 4.451 4.352 4.499 . 0 0 "[ . 1 . 2]" 1
533 1 42 LEU H 1 43 LYS H . . 4.500 2.940 2.827 3.011 . 0 0 "[ . 1 . 2]" 1
534 1 42 LEU H 1 44 ASN H . . 6.000 4.306 4.144 4.543 . 0 0 "[ . 1 . 2]" 1
535 1 42 LEU HA 1 45 LYS H . . 4.500 3.768 3.527 4.057 . 0 0 "[ . 1 . 2]" 1
536 1 42 LEU HA 1 46 MET H . . 6.000 4.408 3.991 5.147 . 0 0 "[ . 1 . 2]" 1
537 1 42 LEU HA 1 46 MET ME . . 5.530 4.323 3.596 4.626 . 0 0 "[ . 1 . 2]" 1
538 1 42 LEU QB 1 43 LYS H . . 4.380 2.403 2.197 2.557 . 0 0 "[ . 1 . 2]" 1
539 1 42 LEU HB2 1 46 MET QG . . 6.880 5.668 5.179 6.138 . 0 0 "[ . 1 . 2]" 1
540 1 42 LEU HB3 1 46 MET QG . . 6.880 5.396 5.062 6.106 . 0 0 "[ . 1 . 2]" 1
541 1 42 LEU MD1 1 43 LYS H . . 5.530 4.247 2.812 4.608 . 0 0 "[ . 1 . 2]" 1
542 1 42 LEU MD1 1 45 LYS H . . 7.030 5.027 4.755 5.424 . 0 0 "[ . 1 . 2]" 1
543 1 42 LEU MD1 1 46 MET H . . 7.030 4.478 3.842 5.106 . 0 0 "[ . 1 . 2]" 1
544 1 42 LEU MD1 1 46 MET QG . . 6.410 3.142 2.377 4.146 . 0 0 "[ . 1 . 2]" 1
545 1 42 LEU MD2 1 43 LYS H . . 7.030 4.016 3.770 4.324 . 0 0 "[ . 1 . 2]" 1
546 1 42 LEU HG 1 43 LYS H . . 4.500 3.567 3.084 4.526 0.026 3 0 "[ . 1 . 2]" 1
547 1 43 LYS H 1 43 LYS QD . . 5.380 4.018 2.459 4.581 . 0 0 "[ . 1 . 2]" 1
548 1 43 LYS H 1 43 LYS QE . . 6.880 5.038 3.271 6.079 . 0 0 "[ . 1 . 2]" 1
549 1 43 LYS H 1 44 ASN H . . 4.500 2.787 2.617 2.933 . 0 0 "[ . 1 . 2]" 1
550 1 43 LYS H 1 47 GLN QE . . 6.880 5.390 4.755 6.165 . 0 0 "[ . 1 . 2]" 1
551 1 43 LYS HA 1 44 ASN H . . 4.500 3.589 3.550 3.634 . 0 0 "[ . 1 . 2]" 1
552 1 43 LYS HA 1 46 MET H . . 4.500 3.467 3.084 3.757 . 0 0 "[ . 1 . 2]" 1
553 1 43 LYS HA 1 46 MET QB . . 6.880 3.013 2.248 4.475 . 0 0 "[ . 1 . 2]" 1
554 1 43 LYS HA 1 46 MET ME . . 5.530 3.786 2.368 4.662 . 0 0 "[ . 1 . 2]" 1
555 1 43 LYS HA 1 46 MET QG . . 6.880 3.364 2.206 4.441 . 0 0 "[ . 1 . 2]" 1
556 1 43 LYS HA 1 47 GLN H . . 6.000 3.952 2.976 5.366 . 0 0 "[ . 1 . 2]" 1
557 1 43 LYS QB 1 44 ASN H . . 5.380 2.555 2.241 2.845 . 0 0 "[ . 1 . 2]" 1
558 1 43 LYS QB 1 47 GLN H . . 6.880 4.953 3.811 6.149 . 0 0 "[ . 1 . 2]" 1
559 1 43 LYS QD 1 44 ASN H . . 6.880 4.723 2.952 5.556 . 0 0 "[ . 1 . 2]" 1
560 1 43 LYS QD 1 46 MET QG . . 7.760 4.549 3.033 6.170 . 0 0 "[ . 1 . 2]" 1
561 1 43 LYS QD 1 47 GLN H . . 6.880 4.764 3.466 5.812 . 0 0 "[ . 1 . 2]" 1
562 1 43 LYS QD 1 47 GLN QG . . 7.760 4.111 2.280 5.174 . 0 0 "[ . 1 . 2]" 1
563 1 43 LYS QE 1 46 MET H . . 6.880 5.468 4.523 6.167 . 0 0 "[ . 1 . 2]" 1
564 1 43 LYS QE 1 46 MET ME . . 7.910 4.644 2.260 5.872 . 0 0 "[ . 1 . 2]" 1
565 1 43 LYS QE 1 47 GLN H . . 6.880 4.652 3.534 6.155 . 0 0 "[ . 1 . 2]" 1
566 1 43 LYS QE 1 47 GLN QG . . 7.760 3.366 2.326 4.846 . 0 0 "[ . 1 . 2]" 1
567 1 43 LYS QG 1 44 ASN H . . 6.880 3.998 3.338 4.498 . 0 0 "[ . 1 . 2]" 1
568 1 43 LYS QG 1 47 GLN H . . 6.880 4.954 3.587 6.149 . 0 0 "[ . 1 . 2]" 1
569 1 43 LYS QG 1 47 GLN QG . . 7.760 4.327 2.363 5.978 . 0 0 "[ . 1 . 2]" 1
570 1 44 ASN HA 1 45 LYS H . . 4.500 3.603 3.566 3.629 . 0 0 "[ . 1 . 2]" 1
571 1 44 ASN HA 1 46 MET H . . 6.000 4.405 3.950 5.073 . 0 0 "[ . 1 . 2]" 1
572 1 44 ASN HA 1 47 GLN H . . 6.000 3.805 3.419 4.452 . 0 0 "[ . 1 . 2]" 1
573 1 44 ASN HA 1 47 GLN QG . . 6.880 4.900 4.262 5.858 . 0 0 "[ . 1 . 2]" 1
574 1 44 ASN HA 1 48 GLN HA . . 4.500 3.567 2.164 4.595 0.095 12 0 "[ . 1 . 2]" 1
575 1 44 ASN HA 1 48 GLN QG . . 5.380 4.444 3.525 4.883 . 0 0 "[ . 1 . 2]" 1
576 1 44 ASN QB 1 45 LYS H . . 5.380 2.543 2.231 2.907 . 0 0 "[ . 1 . 2]" 1
577 1 44 ASN QB 1 48 GLN QG . . 6.260 4.546 3.204 5.022 . 0 0 "[ . 1 . 2]" 1
578 1 45 LYS H 1 45 LYS QE . . 6.880 4.674 4.268 5.128 . 0 0 "[ . 1 . 2]" 1
579 1 45 LYS H 1 47 GLN H . . 6.000 4.524 4.144 4.865 . 0 0 "[ . 1 . 2]" 1
580 1 45 LYS QB 1 46 MET H . . 5.380 2.894 2.461 3.747 . 0 0 "[ . 1 . 2]" 1
581 1 45 LYS QD 1 46 MET H . . 6.880 4.963 4.508 5.226 . 0 0 "[ . 1 . 2]" 1
582 1 45 LYS QG 1 46 MET H . . 6.880 4.268 2.638 4.746 . 0 0 "[ . 1 . 2]" 1
583 1 46 MET H 1 47 GLN H . . 4.500 2.723 2.359 3.005 . 0 0 "[ . 1 . 2]" 1
584 1 46 MET HA 1 46 MET ME . . 5.530 4.385 4.029 4.608 . 0 0 "[ . 1 . 2]" 1
585 1 46 MET HA 1 47 GLN H . . 4.500 3.589 3.520 3.636 . 0 0 "[ . 1 . 2]" 1
586 1 46 MET QB 1 47 GLN H . . 6.880 2.508 2.036 3.617 . 0 0 "[ . 1 . 2]" 1
587 1 46 MET QG 1 47 GLN H . . 6.880 3.910 2.231 4.372 . 0 0 "[ . 1 . 2]" 1
588 1 47 GLN H 1 48 GLN H . . 4.500 3.115 2.075 4.235 . 0 0 "[ . 1 . 2]" 1
589 1 48 GLN QB 1 49 LYS H . . 6.880 3.125 1.911 3.938 . 0 0 "[ . 1 . 2]" 1
590 1 49 LYS HA 1 49 LYS QE . . 5.380 4.504 4.099 4.810 . 0 0 "[ . 1 . 2]" 1
591 1 49 LYS QE 1 50 SER QB . . 7.760 5.522 3.990 6.196 . 0 0 "[ . 1 . 2]" 1
592 1 49 LYS QG 1 50 SER HA . . 6.880 5.345 3.466 6.186 . 0 0 "[ . 1 . 2]" 1
593 1 49 LYS QG 1 50 SER QB . . 7.760 5.307 3.389 6.051 . 0 0 "[ . 1 . 2]" 1
594 1 50 SER HA 1 51 GLN QB . . 5.380 4.508 4.184 4.835 . 0 0 "[ . 1 . 2]" 1
595 1 50 SER HA 1 51 GLN QG . . 6.880 4.781 3.152 6.148 . 0 0 "[ . 1 . 2]" 1
596 1 50 SER QB 1 51 GLN QB . . 7.760 4.709 3.496 5.639 . 0 0 "[ . 1 . 2]" 1
597 1 50 SER QB 1 51 GLN QG . . 7.760 4.885 2.597 5.722 . 0 0 "[ . 1 . 2]" 1
598 1 53 LYS HA 1 54 PRO QB . . 6.000 4.655 4.476 4.898 . 0 0 "[ . 1 . 2]" 1
599 1 53 LYS HA 1 54 PRO QD . . 4.500 2.105 2.063 2.204 . 0 0 "[ . 1 . 2]" 1
600 1 53 LYS HA 1 54 PRO QG . . 4.500 4.023 3.975 4.073 . 0 0 "[ . 1 . 2]" 1
601 1 53 LYS QB 1 54 PRO QD . . 6.880 2.868 2.217 3.893 . 0 0 "[ . 1 . 2]" 1
602 1 53 LYS QD 1 54 PRO QD . . 6.880 4.256 2.671 5.493 . 0 0 "[ . 1 . 2]" 1
603 1 53 LYS QG 1 54 PRO QD . . 6.880 3.724 2.230 4.528 . 0 0 "[ . 1 . 2]" 1
604 1 54 PRO HA 1 55 GLU H . . 3.500 2.619 2.176 3.540 0.040 11 0 "[ . 1 . 2]" 1
605 1 54 PRO QD 1 55 GLU H . . 6.000 4.133 2.542 4.996 . 0 0 "[ . 1 . 2]" 1
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