NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407178 |
1y2y   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y2y
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 538
_Distance_constraint_stats_list.Viol_count 679
_Distance_constraint_stats_list.Viol_total 509.760
_Distance_constraint_stats_list.Viol_max 0.545
_Distance_constraint_stats_list.Viol_rms 0.0370
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0751
_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 HIS 0.435 0.119 8 0 "[ . 1]"
1 3 LEU 0.879 0.128 8 0 "[ . 1]"
1 4 MET 2.683 0.213 7 0 "[ . 1]"
1 5 TYR 4.067 0.350 9 0 "[ . 1]"
1 6 THR 5.730 0.355 3 0 "[ . 1]"
1 7 LEU 6.454 0.355 3 0 "[ . 1]"
1 8 GLY 2.188 0.292 3 0 "[ . 1]"
1 9 PRO 1.222 0.208 2 0 "[ . 1]"
1 10 ASP 1.500 0.208 5 0 "[ . 1]"
1 11 GLY 2.491 0.188 6 0 "[ . 1]"
1 12 LYS 4.910 0.320 8 0 "[ . 1]"
1 13 ARG 1.455 0.350 9 0 "[ . 1]"
1 14 ILE 5.273 0.341 10 0 "[ . 1]"
1 15 TYR 1.717 0.323 8 0 "[ . 1]"
1 16 THR 0.802 0.155 10 0 "[ . 1]"
1 17 LEU 0.091 0.023 3 0 "[ . 1]"
1 18 LYS 0.077 0.023 3 0 "[ . 1]"
1 19 LYS 1.190 0.161 3 0 "[ . 1]"
1 20 VAL 1.142 0.163 4 0 "[ . 1]"
1 21 THR 0.879 0.163 4 0 "[ . 1]"
1 22 GLU 0.296 0.114 10 0 "[ . 1]"
1 23 SER 1.334 0.157 8 0 "[ . 1]"
1 24 GLY 1.368 0.183 9 0 "[ . 1]"
1 25 GLU 0.003 0.003 9 0 "[ . 1]"
1 26 ILE 2.579 0.205 7 0 "[ . 1]"
1 27 THR 0.696 0.117 10 0 "[ . 1]"
1 28 LYS 1.393 0.167 10 0 "[ . 1]"
1 29 SER 3.094 0.398 6 0 "[ . 1]"
1 30 ALA 3.924 0.545 9 1 "[ . +1]"
1 31 HIS 5.247 0.545 9 1 "[ . +1]"
1 32 PRO 1.997 0.264 6 0 "[ . 1]"
1 33 ALA 1.135 0.257 3 0 "[ . 1]"
1 34 ARG 0.000 0.000 . 0 "[ . 1]"
1 35 PHE 0.313 0.173 8 0 "[ . 1]"
1 36 SER 0.769 0.173 8 0 "[ . 1]"
1 37 PRO 1.161 0.390 8 0 "[ . 1]"
1 38 ASP 0.894 0.167 10 0 "[ . 1]"
1 39 ASP 4.352 0.364 10 0 "[ . 1]"
1 40 LYS 4.416 0.390 8 0 "[ . 1]"
1 41 TYR 5.057 0.520 10 1 "[ . +]"
1 42 SER 1.026 0.212 5 0 "[ . 1]"
1 44 GLN 0.028 0.013 5 0 "[ . 1]"
1 45 ARG 0.045 0.019 1 0 "[ . 1]"
1 46 VAL 0.000 0.000 . 0 "[ . 1]"
1 47 THR 0.052 0.033 4 0 "[ . 1]"
1 48 LEU 0.033 0.033 4 0 "[ . 1]"
1 49 LYS 0.063 0.019 1 0 "[ . 1]"
1 51 ARG 0.000 0.000 . 0 "[ . 1]"
1 52 PHE 2.841 0.398 6 0 "[ . 1]"
1 53 GLY 0.094 0.057 4 0 "[ . 1]"
1 54 LEU 0.684 0.081 5 0 "[ . 1]"
1 55 VAL 1.737 0.321 1 0 "[ . 1]"
1 56 PRO 2.249 0.264 6 0 "[ . 1]"
1 57 GLY 1.970 0.321 1 0 "[ . 1]"
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 HIS HA 1 2 HIS QB 2.150 . 2.500 2.254 2.153 2.455 . 0 0 "[ . 1]" 1
2 1 2 HIS HA 1 2 HIS HD1 3.150 . 4.500 4.060 2.829 4.541 0.041 9 0 "[ . 1]" 1
3 1 2 HIS HA 1 18 LYS H 4.150 . 6.500 4.864 3.080 6.156 . 0 0 "[ . 1]" 1
4 1 2 HIS HA 1 19 LYS H 4.150 . 6.500 5.004 4.137 5.618 . 0 0 "[ . 1]" 1
5 1 2 HIS QB 1 3 LEU HB2 3.150 . 4.500 3.925 3.469 4.539 0.039 5 0 "[ . 1]" 1
6 1 2 HIS QB 1 4 MET ME 4.150 . 6.500 6.521 6.430 6.619 0.119 8 0 "[ . 1]" 1
7 1 3 LEU H 1 3 LEU HB2 4.150 . 6.500 3.326 3.012 3.476 . 0 0 "[ . 1]" 1
8 1 3 LEU H 1 3 LEU HB3 4.150 . 6.500 3.482 3.287 3.773 . 0 0 "[ . 1]" 1
9 1 3 LEU H 1 3 LEU MD1 4.150 . 6.500 4.782 4.388 4.971 . 0 0 "[ . 1]" 1
10 1 3 LEU H 1 4 MET H 3.150 . 4.500 3.470 2.206 4.333 . 0 0 "[ . 1]" 1
11 1 3 LEU H 1 19 LYS H 3.150 . 4.500 4.360 3.419 4.581 0.081 5 0 "[ . 1]" 1
12 1 3 LEU HA 1 3 LEU MD1 4.150 . 6.500 3.528 3.062 3.752 . 0 0 "[ . 1]" 1
13 1 3 LEU HA 1 3 LEU MD2 4.150 . 6.500 2.672 1.794 3.669 0.006 9 0 "[ . 1]" 1
14 1 3 LEU HA 1 4 MET H 4.150 . 6.500 2.286 2.131 2.661 . 0 0 "[ . 1]" 1
15 1 3 LEU HB2 1 4 MET H 4.150 . 6.500 4.274 3.647 4.656 . 0 0 "[ . 1]" 1
16 1 3 LEU HB2 1 15 TYR QD 4.150 . 6.500 5.605 4.844 6.487 . 0 0 "[ . 1]" 1
17 1 3 LEU HB2 1 15 TYR QE 4.150 . 6.500 5.273 3.618 5.919 . 0 0 "[ . 1]" 1
18 1 3 LEU HB3 1 3 LEU MD1 2.150 . 2.500 2.303 1.919 2.573 0.073 4 0 "[ . 1]" 1
19 1 3 LEU HB3 1 4 MET H 4.150 . 6.500 4.350 3.925 4.535 . 0 0 "[ . 1]" 1
20 1 3 LEU HB3 1 15 TYR QD 4.150 . 6.500 6.002 5.296 6.628 0.128 8 0 "[ . 1]" 1
21 1 3 LEU MD1 1 4 MET H 3.150 . 4.500 4.171 3.052 4.545 0.045 4 0 "[ . 1]" 1
22 1 3 LEU MD1 1 13 ARG HD3 4.150 . 6.500 6.122 5.283 6.537 0.037 6 0 "[ . 1]" 1
23 1 3 LEU MD1 1 15 TYR QD 4.150 . 6.500 3.659 2.813 5.862 . 0 0 "[ . 1]" 1
24 1 3 LEU MD2 1 5 TYR QD 3.150 . 4.500 3.815 2.093 4.517 0.017 2 0 "[ . 1]" 1
25 1 3 LEU MD2 1 13 ARG HD2 4.150 . 6.500 6.069 4.611 6.510 0.010 5 0 "[ . 1]" 1
26 1 4 MET H 1 4 MET HB3 3.150 . 4.500 2.752 2.297 3.778 . 0 0 "[ . 1]" 1
27 1 4 MET H 1 4 MET HG3 3.150 . 4.500 4.320 2.308 4.713 0.213 7 0 "[ . 1]" 1
28 1 4 MET H 1 5 TYR H 3.150 . 4.500 4.289 3.125 4.519 0.019 3 0 "[ . 1]" 1
29 1 4 MET H 1 15 TYR QD 4.150 . 6.500 4.602 2.436 6.213 . 0 0 "[ . 1]" 1
30 1 4 MET H 1 15 TYR QE 4.150 . 6.500 5.470 2.355 6.513 0.013 5 0 "[ . 1]" 1
31 1 4 MET H 1 16 THR H 4.150 . 6.500 3.105 2.261 3.786 . 0 0 "[ . 1]" 1
32 1 4 MET HA 1 4 MET ME 3.150 . 4.500 4.075 1.745 4.634 0.134 9 0 "[ . 1]" 1
33 1 4 MET HA 1 4 MET HG2 3.150 . 4.500 3.084 2.484 4.238 . 0 0 "[ . 1]" 1
34 1 4 MET HA 1 4 MET HG3 3.150 . 4.500 3.867 3.683 4.215 . 0 0 "[ . 1]" 1
35 1 4 MET HA 1 5 TYR H 2.150 . 2.500 2.294 2.139 2.570 0.070 8 0 "[ . 1]" 1
36 1 4 MET HA 1 5 TYR QD 4.150 . 6.500 3.830 2.896 5.071 . 0 0 "[ . 1]" 1
37 1 4 MET HB2 1 5 TYR H 4.150 . 6.500 3.535 2.407 4.406 . 0 0 "[ . 1]" 1
38 1 4 MET HB2 1 16 THR MG 4.150 . 6.500 5.488 4.076 6.569 0.069 1 0 "[ . 1]" 1
39 1 4 MET HB3 1 4 MET HG3 2.150 . 2.500 2.533 2.503 2.613 0.113 8 0 "[ . 1]" 1
40 1 4 MET HB3 1 5 TYR H 4.150 . 6.500 4.134 3.826 4.358 . 0 0 "[ . 1]" 1
41 1 4 MET HB3 1 16 THR MG 4.150 . 6.500 4.826 3.277 6.535 0.035 10 0 "[ . 1]" 1
42 1 4 MET ME 1 4 MET QG 3.150 . 4.500 2.374 2.124 2.722 . 0 0 "[ . 1]" 1
43 1 4 MET ME 1 5 TYR HA 4.150 . 6.500 4.186 3.219 4.869 . 0 0 "[ . 1]" 1
44 1 4 MET ME 1 5 TYR QD 4.150 . 6.500 5.978 5.625 6.298 . 0 0 "[ . 1]" 1
45 1 4 MET ME 1 14 ILE MD 4.150 . 6.500 4.940 3.244 5.871 . 0 0 "[ . 1]" 1
46 1 4 MET ME 1 14 ILE MG 3.150 . 4.500 3.413 1.939 4.612 0.112 8 0 "[ . 1]" 1
47 1 4 MET ME 1 29 SER HA 4.150 . 6.500 6.066 4.863 6.678 0.178 3 0 "[ . 1]" 1
48 1 4 MET ME 1 29 SER QB 4.150 . 6.500 4.628 2.613 6.304 . 0 0 "[ . 1]" 1
49 1 5 TYR H 1 5 TYR QB 3.150 . 4.500 2.891 2.621 3.156 . 0 0 "[ . 1]" 1
50 1 5 TYR H 1 5 TYR QD 3.150 . 4.500 2.738 2.121 3.381 . 0 0 "[ . 1]" 1
51 1 5 TYR H 1 6 THR H 3.150 . 4.500 4.226 3.881 4.469 . 0 0 "[ . 1]" 1
52 1 5 TYR H 1 13 ARG HA 4.150 . 6.500 5.264 4.697 5.910 . 0 0 "[ . 1]" 1
53 1 5 TYR H 1 13 ARG HG2 4.150 . 6.500 5.977 5.372 6.507 0.007 5 0 "[ . 1]" 1
54 1 5 TYR HA 1 5 TYR QD 3.150 . 4.500 3.680 3.593 3.742 . 0 0 "[ . 1]" 1
55 1 5 TYR HA 1 6 THR H 2.150 . 2.500 2.197 2.142 2.352 . 0 0 "[ . 1]" 1
56 1 5 TYR HA 1 6 THR HA 4.150 . 6.500 4.390 4.329 4.420 . 0 0 "[ . 1]" 1
57 1 5 TYR HA 1 6 THR MG 3.150 . 4.500 4.089 3.062 4.532 0.032 6 0 "[ . 1]" 1
58 1 5 TYR HA 1 13 ARG HB3 3.150 . 4.500 4.491 3.955 4.850 0.350 9 0 "[ . 1]" 1
59 1 5 TYR HA 1 14 ILE H 3.150 . 4.500 3.925 3.477 4.418 . 0 0 "[ . 1]" 1
60 1 5 TYR HA 1 14 ILE MG 4.150 . 6.500 4.298 3.880 4.768 . 0 0 "[ . 1]" 1
61 1 5 TYR HA 1 15 TYR H 4.150 . 6.500 4.094 3.347 4.508 . 0 0 "[ . 1]" 1
62 1 5 TYR HA 1 15 TYR HA 3.150 . 4.500 2.983 1.854 4.823 0.323 8 0 "[ . 1]" 1
63 1 5 TYR HA 1 15 TYR HB2 4.150 . 6.500 5.033 4.161 5.625 . 0 0 "[ . 1]" 1
64 1 5 TYR HA 1 15 TYR QD 4.150 . 6.500 4.154 3.419 5.297 . 0 0 "[ . 1]" 1
65 1 5 TYR HA 1 16 THR H 4.150 . 6.500 3.605 2.232 4.383 . 0 0 "[ . 1]" 1
66 1 5 TYR HA 1 40 LYS QG 4.150 . 6.500 6.337 5.455 6.736 0.236 10 0 "[ . 1]" 1
67 1 5 TYR QB 1 6 THR H 3.150 . 4.500 3.342 2.659 3.683 . 0 0 "[ . 1]" 1
68 1 5 TYR QB 1 6 THR HA 3.150 . 4.500 4.535 4.193 4.672 0.172 3 0 "[ . 1]" 1
69 1 5 TYR QB 1 6 THR HB 4.150 . 6.500 6.226 5.666 6.466 . 0 0 "[ . 1]" 1
70 1 5 TYR QB 1 7 LEU MD1 4.150 . 6.500 4.811 3.190 5.795 . 0 0 "[ . 1]" 1
71 1 5 TYR QB 1 13 ARG HA 3.150 . 4.500 2.102 1.773 2.886 0.027 4 0 "[ . 1]" 1
72 1 5 TYR QB 1 13 ARG HB2 3.150 . 4.500 3.911 3.422 4.335 . 0 0 "[ . 1]" 1
73 1 5 TYR QB 1 13 ARG HB3 3.150 . 4.500 2.780 2.196 3.587 . 0 0 "[ . 1]" 1
74 1 5 TYR QB 1 13 ARG HD2 3.150 . 4.500 2.801 2.132 3.910 . 0 0 "[ . 1]" 1
75 1 5 TYR QB 1 13 ARG HD3 3.150 . 4.500 3.013 2.308 3.502 . 0 0 "[ . 1]" 1
76 1 5 TYR QB 1 14 ILE H 3.150 . 4.500 3.977 3.337 4.575 0.075 3 0 "[ . 1]" 1
77 1 5 TYR QB 1 15 TYR H 4.150 . 6.500 4.373 3.213 5.047 . 0 0 "[ . 1]" 1
78 1 5 TYR QB 1 15 TYR HA 4.150 . 6.500 3.420 2.447 5.336 . 0 0 "[ . 1]" 1
79 1 5 TYR QB 1 15 TYR QD 4.150 . 6.500 3.355 2.274 4.243 . 0 0 "[ . 1]" 1
80 1 5 TYR QB 1 16 THR H 4.150 . 6.500 4.257 2.780 5.237 . 0 0 "[ . 1]" 1
81 1 5 TYR QD 1 6 THR H 3.150 . 4.500 4.126 3.690 4.395 . 0 0 "[ . 1]" 1
82 1 5 TYR QD 1 6 THR HA 3.150 . 4.500 3.759 2.900 4.522 0.022 2 0 "[ . 1]" 1
83 1 5 TYR QD 1 6 THR HB 4.150 . 6.500 6.007 5.381 6.430 . 0 0 "[ . 1]" 1
84 1 5 TYR QD 1 7 LEU H 4.150 . 6.500 4.662 2.988 5.854 . 0 0 "[ . 1]" 1
85 1 5 TYR QD 1 7 LEU HA 4.150 . 6.500 5.907 4.468 6.648 0.148 7 0 "[ . 1]" 1
86 1 5 TYR QD 1 7 LEU MD1 3.150 . 4.500 3.839 2.068 4.520 0.020 7 0 "[ . 1]" 1
87 1 5 TYR QD 1 12 LYS HA 4.150 . 6.500 5.308 3.633 6.587 0.087 3 0 "[ . 1]" 1
88 1 5 TYR QD 1 13 ARG HA 4.150 . 6.500 2.204 1.741 2.771 0.059 8 0 "[ . 1]" 1
89 1 5 TYR QD 1 13 ARG HB2 3.150 . 4.500 4.227 3.511 4.530 0.030 2 0 "[ . 1]" 1
90 1 5 TYR QD 1 13 ARG HB3 3.150 . 4.500 3.846 3.302 4.223 . 0 0 "[ . 1]" 1
91 1 5 TYR QD 1 13 ARG HD2 3.150 . 4.500 3.712 2.844 4.520 0.020 4 0 "[ . 1]" 1
92 1 5 TYR QD 1 13 ARG HD3 3.150 . 4.500 3.151 2.144 4.425 . 0 0 "[ . 1]" 1
93 1 5 TYR QD 1 13 ARG HG2 3.150 . 4.500 2.155 1.867 2.649 . 0 0 "[ . 1]" 1
94 1 5 TYR QD 1 13 ARG HG3 3.150 . 4.500 3.770 3.413 4.222 . 0 0 "[ . 1]" 1
95 1 5 TYR QE 1 7 LEU HG 4.150 . 6.500 5.479 3.549 6.603 0.103 9 0 "[ . 1]" 1
96 1 6 THR H 1 6 THR HB 3.150 . 4.500 3.729 3.508 3.823 . 0 0 "[ . 1]" 1
97 1 6 THR H 1 6 THR MG 3.150 . 4.500 3.103 2.000 3.668 . 0 0 "[ . 1]" 1
98 1 6 THR H 1 14 ILE H 3.150 . 4.500 2.398 1.861 2.920 . 0 0 "[ . 1]" 1
99 1 6 THR H 1 14 ILE HB 3.150 . 4.500 2.121 1.797 2.576 0.003 6 0 "[ . 1]" 1
100 1 6 THR H 1 14 ILE HG13 3.150 . 4.500 3.499 2.668 4.103 . 0 0 "[ . 1]" 1
101 1 6 THR H 1 14 ILE MG 3.150 . 4.500 3.517 3.081 3.920 . 0 0 "[ . 1]" 1
102 1 6 THR HA 1 6 THR HB 2.150 . 2.500 2.530 2.249 2.743 0.243 6 0 "[ . 1]" 1
103 1 6 THR HA 1 7 LEU H 2.150 . 2.500 2.200 2.085 2.548 0.048 3 0 "[ . 1]" 1
104 1 6 THR HA 1 7 LEU HB2 3.150 . 4.500 4.592 4.240 4.855 0.355 3 0 "[ . 1]" 1
105 1 6 THR HA 1 7 LEU HB3 4.150 . 6.500 5.532 5.244 5.679 . 0 0 "[ . 1]" 1
106 1 6 THR HA 1 7 LEU MD1 3.150 . 4.500 3.959 2.843 4.631 0.131 9 0 "[ . 1]" 1
107 1 6 THR HA 1 14 ILE HB 3.150 . 4.500 4.157 3.757 4.548 0.048 4 0 "[ . 1]" 1
108 1 6 THR HA 1 14 ILE HG12 4.150 . 6.500 6.060 5.344 6.235 . 0 0 "[ . 1]" 1
109 1 6 THR HA 1 14 ILE HG13 3.150 . 4.500 4.453 3.707 4.841 0.341 10 0 "[ . 1]" 1
110 1 6 THR HA 1 14 ILE MG 4.150 . 6.500 5.419 4.936 5.826 . 0 0 "[ . 1]" 1
111 1 6 THR HB 1 7 LEU H 3.150 . 4.500 3.091 1.817 4.013 . 0 0 "[ . 1]" 1
112 1 6 THR HB 1 7 LEU HB2 4.150 . 6.500 5.555 4.935 5.883 . 0 0 "[ . 1]" 1
113 1 6 THR HB 1 9 PRO QG 4.150 . 6.500 6.298 5.518 6.618 0.118 10 0 "[ . 1]" 1
114 1 6 THR HB 1 14 ILE HB 4.150 . 6.500 3.741 2.810 4.233 . 0 0 "[ . 1]" 1
115 1 6 THR HB 1 14 ILE HG12 4.150 . 6.500 5.642 4.426 6.277 . 0 0 "[ . 1]" 1
116 1 6 THR HB 1 14 ILE HG13 3.150 . 4.500 4.094 2.757 4.701 0.201 4 0 "[ . 1]" 1
117 1 6 THR HB 1 14 ILE MG 4.150 . 6.500 4.724 3.704 5.440 . 0 0 "[ . 1]" 1
118 1 6 THR MG 1 7 LEU H 4.150 . 6.500 3.623 2.742 4.202 . 0 0 "[ . 1]" 1
119 1 6 THR MG 1 14 ILE HA 4.150 . 6.500 5.822 4.177 6.648 0.148 4 0 "[ . 1]" 1
120 1 6 THR MG 1 14 ILE HB 4.150 . 6.500 3.643 1.812 4.930 . 0 0 "[ . 1]" 1
121 1 6 THR MG 1 14 ILE MD 4.150 . 6.500 4.116 2.705 5.124 . 0 0 "[ . 1]" 1
122 1 6 THR MG 1 14 ILE MG 4.150 . 6.500 4.222 2.004 5.725 . 0 0 "[ . 1]" 1
123 1 7 LEU H 1 7 LEU HB2 3.150 . 4.500 2.712 2.379 3.128 . 0 0 "[ . 1]" 1
124 1 7 LEU H 1 7 LEU HB3 3.150 . 4.500 3.713 3.566 3.891 . 0 0 "[ . 1]" 1
125 1 7 LEU H 1 7 LEU MD1 3.150 . 4.500 3.154 2.468 3.602 . 0 0 "[ . 1]" 1
126 1 7 LEU H 1 8 GLY H 3.150 . 4.500 2.192 1.832 2.960 . 0 0 "[ . 1]" 1
127 1 7 LEU H 1 12 LYS H 3.150 . 4.500 4.122 3.282 4.671 0.171 1 0 "[ . 1]" 1
128 1 7 LEU HA 1 7 LEU MD1 4.150 . 6.500 3.613 2.247 4.066 . 0 0 "[ . 1]" 1
129 1 7 LEU HA 1 7 LEU HG 3.150 . 4.500 2.916 2.716 3.285 . 0 0 "[ . 1]" 1
130 1 7 LEU HA 1 12 LYS H 3.150 . 4.500 3.029 1.793 4.689 0.189 8 0 "[ . 1]" 1
131 1 7 LEU HA 1 13 ARG HA 4.150 . 6.500 4.867 2.772 6.255 . 0 0 "[ . 1]" 1
132 1 7 LEU HB2 1 8 GLY H 3.150 . 4.500 3.398 2.422 4.357 . 0 0 "[ . 1]" 1
133 1 7 LEU HB2 1 11 GLY HA2 4.150 . 6.500 3.145 2.361 3.980 . 0 0 "[ . 1]" 1
134 1 7 LEU HB2 1 11 GLY HA3 3.150 . 4.500 3.852 2.676 4.627 0.127 1 0 "[ . 1]" 1
135 1 7 LEU HB3 1 8 GLY H 3.150 . 4.500 4.185 3.814 4.509 0.009 5 0 "[ . 1]" 1
136 1 7 LEU HB3 1 11 GLY H 3.150 . 4.500 2.764 1.805 4.267 . 0 0 "[ . 1]" 1
137 1 7 LEU HB3 1 11 GLY HA2 3.150 . 4.500 2.897 1.773 4.621 0.121 9 0 "[ . 1]" 1
138 1 7 LEU HB3 1 11 GLY HA3 3.150 . 4.500 3.442 2.896 4.349 . 0 0 "[ . 1]" 1
139 1 7 LEU MD1 1 11 GLY H 3.150 . 4.500 3.933 2.412 4.686 0.186 10 0 "[ . 1]" 1
140 1 7 LEU MD1 1 11 GLY HA2 3.150 . 4.500 3.503 3.087 4.135 . 0 0 "[ . 1]" 1
141 1 7 LEU MD1 1 11 GLY HA3 3.150 . 4.500 3.795 2.457 4.601 0.101 5 0 "[ . 1]" 1
142 1 7 LEU MD1 1 12 LYS H 3.150 . 4.500 3.009 1.713 4.672 0.172 5 0 "[ . 1]" 1
143 1 7 LEU MD1 1 13 ARG HA 4.150 . 6.500 3.733 1.995 4.997 . 0 0 "[ . 1]" 1
144 1 7 LEU MD1 1 13 ARG HD3 4.150 . 6.500 5.329 4.392 5.861 . 0 0 "[ . 1]" 1
145 1 7 LEU MD2 1 7 LEU HG 2.150 . 2.500 2.100 2.083 2.119 . 0 0 "[ . 1]" 1
146 1 7 LEU MD2 1 11 GLY HA2 4.150 . 6.500 4.181 2.950 5.729 . 0 0 "[ . 1]" 1
147 1 7 LEU MD2 1 11 GLY HA3 3.150 . 4.500 4.275 3.843 4.583 0.083 7 0 "[ . 1]" 1
148 1 7 LEU MD2 1 12 LYS HA 3.150 . 4.500 4.011 2.736 4.820 0.320 8 0 "[ . 1]" 1
149 1 8 GLY H 1 8 GLY HA3 2.150 . 2.500 2.513 2.287 2.746 0.246 10 0 "[ . 1]" 1
150 1 8 GLY H 1 9 PRO HD2 3.150 . 4.500 3.378 2.160 4.528 0.028 10 0 "[ . 1]" 1
151 1 8 GLY H 1 11 GLY H 3.150 . 4.500 4.151 3.429 4.583 0.083 9 0 "[ . 1]" 1
152 1 8 GLY H 1 12 LYS H 3.150 . 4.500 4.399 3.037 4.792 0.292 3 0 "[ . 1]" 1
153 1 8 GLY H 1 14 ILE MD 3.150 . 4.500 4.148 3.025 4.603 0.103 9 0 "[ . 1]" 1
154 1 8 GLY H 1 14 ILE HG13 4.150 . 6.500 4.261 3.004 4.843 . 0 0 "[ . 1]" 1
155 1 8 GLY HA2 1 9 PRO HD2 3.150 . 4.500 3.542 2.742 3.720 . 0 0 "[ . 1]" 1
156 1 8 GLY HA2 1 9 PRO QG 4.150 . 6.500 4.965 4.382 5.147 . 0 0 "[ . 1]" 1
157 1 8 GLY HA2 1 10 ASP H 3.150 . 4.500 4.284 4.069 4.557 0.057 6 0 "[ . 1]" 1
158 1 8 GLY HA2 1 14 ILE MD 4.150 . 6.500 5.546 4.387 6.153 . 0 0 "[ . 1]" 1
159 1 8 GLY HA3 1 9 PRO HD2 3.150 . 4.500 2.266 1.821 2.945 . 0 0 "[ . 1]" 1
160 1 8 GLY HA3 1 9 PRO QG 3.150 . 4.500 3.995 3.635 4.517 0.017 5 0 "[ . 1]" 1
161 1 8 GLY HA3 1 10 ASP H 3.150 . 4.500 3.966 3.131 4.614 0.114 2 0 "[ . 1]" 1
162 1 8 GLY HA3 1 14 ILE MD 4.150 . 6.500 4.469 3.192 5.336 . 0 0 "[ . 1]" 1
163 1 9 PRO HA 1 9 PRO HD2 4.150 . 6.500 4.066 4.041 4.090 . 0 0 "[ . 1]" 1
164 1 9 PRO HA 1 9 PRO HD3 4.150 . 6.500 3.341 3.234 3.456 . 0 0 "[ . 1]" 1
165 1 9 PRO HB2 1 9 PRO HD2 4.150 . 6.500 4.084 4.059 4.115 . 0 0 "[ . 1]" 1
166 1 9 PRO HB2 1 9 PRO HD3 4.150 . 6.500 3.833 3.762 3.870 . 0 0 "[ . 1]" 1
167 1 9 PRO HB2 1 10 ASP H 3.150 . 4.500 3.407 3.145 3.682 . 0 0 "[ . 1]" 1
168 1 9 PRO HB3 1 9 PRO HD2 4.150 . 6.500 3.847 3.785 3.887 . 0 0 "[ . 1]" 1
169 1 9 PRO HB3 1 9 PRO HD3 4.150 . 6.500 2.841 2.698 2.926 . 0 0 "[ . 1]" 1
170 1 9 PRO HB3 1 10 ASP H 3.150 . 4.500 4.255 4.099 4.432 . 0 0 "[ . 1]" 1
171 1 9 PRO HD2 1 10 ASP H 3.150 . 4.500 3.124 3.002 3.297 . 0 0 "[ . 1]" 1
172 1 9 PRO HD2 1 14 ILE MD 3.150 . 4.500 3.543 2.410 4.296 . 0 0 "[ . 1]" 1
173 1 9 PRO HD3 1 14 ILE MD 4.150 . 6.500 4.523 2.144 5.762 . 0 0 "[ . 1]" 1
174 1 9 PRO QG 1 10 ASP HA 3.150 . 4.500 4.582 4.517 4.708 0.208 2 0 "[ . 1]" 1
175 1 10 ASP H 1 10 ASP HB2 3.150 . 4.500 2.753 2.160 3.268 . 0 0 "[ . 1]" 1
176 1 10 ASP H 1 10 ASP HB3 3.150 . 4.500 3.597 3.087 3.929 . 0 0 "[ . 1]" 1
177 1 10 ASP H 1 12 LYS H 4.150 . 6.500 4.446 2.589 5.398 . 0 0 "[ . 1]" 1
178 1 10 ASP HA 1 11 GLY H 3.150 . 4.500 3.443 2.984 3.604 . 0 0 "[ . 1]" 1
179 1 10 ASP HA 1 12 LYS H 4.150 . 6.500 5.578 4.635 6.247 . 0 0 "[ . 1]" 1
180 1 10 ASP HB2 1 11 GLY H 3.150 . 4.500 2.862 1.934 4.188 . 0 0 "[ . 1]" 1
181 1 10 ASP HB2 1 12 LYS H 3.150 . 4.500 4.283 3.072 4.708 0.208 5 0 "[ . 1]" 1
182 1 10 ASP HB3 1 11 GLY H 4.150 . 6.500 3.235 1.824 4.225 . 0 0 "[ . 1]" 1
183 1 11 GLY H 1 12 LYS H 3.150 . 4.500 2.545 1.987 3.441 . 0 0 "[ . 1]" 1
184 1 11 GLY H 1 12 LYS HA 3.150 . 4.500 4.458 4.071 4.688 0.188 6 0 "[ . 1]" 1
185 1 11 GLY HA2 1 12 LYS H 3.150 . 4.500 2.921 2.330 3.480 . 0 0 "[ . 1]" 1
186 1 11 GLY HA3 1 12 LYS H 3.150 . 4.500 3.129 2.197 3.552 . 0 0 "[ . 1]" 1
187 1 12 LYS H 1 12 LYS QD 3.150 . 4.500 3.987 3.157 4.504 0.004 1 0 "[ . 1]" 1
188 1 12 LYS H 1 12 LYS QG 4.150 . 6.500 3.699 2.433 4.425 . 0 0 "[ . 1]" 1
189 1 12 LYS HA 1 12 LYS QD 4.150 . 6.500 2.856 1.840 4.141 . 0 0 "[ . 1]" 1
190 1 12 LYS HA 1 12 LYS QE 3.150 . 4.500 4.192 3.281 4.516 0.016 1 0 "[ . 1]" 1
191 1 12 LYS QB 1 12 LYS QE 3.150 . 4.500 3.212 2.010 3.698 . 0 0 "[ . 1]" 1
192 1 12 LYS QD 1 12 LYS QG 2.150 . 2.500 2.060 2.005 2.091 . 0 0 "[ . 1]" 1
193 1 12 LYS QE 1 12 LYS QG 2.150 . 2.500 2.125 1.936 2.446 . 0 0 "[ . 1]" 1
194 1 13 ARG H 1 14 ILE HA 3.150 . 4.500 4.187 3.836 4.506 0.006 2 0 "[ . 1]" 1
195 1 13 ARG HA 1 13 ARG HD2 3.150 . 4.500 3.618 2.777 4.477 . 0 0 "[ . 1]" 1
196 1 13 ARG HA 1 13 ARG HD3 3.150 . 4.500 3.798 3.022 4.191 . 0 0 "[ . 1]" 1
197 1 13 ARG HA 1 13 ARG HG2 2.150 . 2.500 2.128 2.009 2.220 . 0 0 "[ . 1]" 1
198 1 13 ARG HA 1 14 ILE H 3.150 . 4.500 2.866 2.512 3.285 . 0 0 "[ . 1]" 1
199 1 13 ARG HA 1 14 ILE MG 4.150 . 6.500 5.688 5.505 5.900 . 0 0 "[ . 1]" 1
200 1 13 ARG HA 1 15 TYR H 4.150 . 6.500 5.070 4.534 5.427 . 0 0 "[ . 1]" 1
201 1 13 ARG HB2 1 13 ARG HD2 3.150 . 4.500 3.234 2.899 3.799 . 0 0 "[ . 1]" 1
202 1 13 ARG HB2 1 13 ARG HD3 3.150 . 4.500 3.992 3.458 4.189 . 0 0 "[ . 1]" 1
203 1 13 ARG HB3 1 13 ARG HD2 3.150 . 4.500 2.158 1.968 2.652 . 0 0 "[ . 1]" 1
204 1 13 ARG HB3 1 13 ARG HD3 3.150 . 4.500 3.208 2.326 3.503 . 0 0 "[ . 1]" 1
205 1 13 ARG HD2 1 15 TYR QE 4.150 . 6.500 4.236 3.154 6.548 0.048 8 0 "[ . 1]" 1
206 1 13 ARG HG2 1 15 TYR QD 4.150 . 6.500 6.072 5.395 6.532 0.032 8 0 "[ . 1]" 1
207 1 14 ILE H 1 14 ILE HB 3.150 . 4.500 2.647 2.478 3.137 . 0 0 "[ . 1]" 1
208 1 14 ILE H 1 14 ILE HG12 4.150 . 6.500 2.997 1.988 3.586 . 0 0 "[ . 1]" 1
209 1 14 ILE H 1 14 ILE HG13 3.150 . 4.500 2.201 1.921 2.364 . 0 0 "[ . 1]" 1
210 1 14 ILE H 1 14 ILE MG 3.150 . 4.500 3.754 3.643 3.795 . 0 0 "[ . 1]" 1
211 1 14 ILE H 1 30 ALA H 4.150 . 6.500 6.538 6.182 6.718 0.218 5 0 "[ . 1]" 1
212 1 14 ILE HA 1 14 ILE MD 4.150 . 6.500 3.708 3.578 3.858 . 0 0 "[ . 1]" 1
213 1 14 ILE HA 1 14 ILE HG12 4.150 . 6.500 2.438 2.277 2.691 . 0 0 "[ . 1]" 1
214 1 14 ILE HA 1 14 ILE HG13 4.150 . 6.500 3.201 2.923 3.629 . 0 0 "[ . 1]" 1
215 1 14 ILE HA 1 15 TYR H 2.150 . 2.500 2.215 2.133 2.335 . 0 0 "[ . 1]" 1
216 1 14 ILE HB 1 14 ILE MD 3.150 . 4.500 2.541 2.354 2.686 . 0 0 "[ . 1]" 1
217 1 14 ILE HB 1 14 ILE MG 2.150 . 2.500 2.094 2.072 2.115 . 0 0 "[ . 1]" 1
218 1 14 ILE HB 1 15 TYR H 3.150 . 4.500 4.432 4.320 4.512 0.012 6 0 "[ . 1]" 1
219 1 14 ILE MD 1 14 ILE HG12 2.150 . 2.500 2.089 2.069 2.115 . 0 0 "[ . 1]" 1
220 1 14 ILE MD 1 14 ILE HG13 2.150 . 2.500 2.090 2.072 2.121 . 0 0 "[ . 1]" 1
221 1 14 ILE MD 1 31 HIS HD2 4.150 . 6.500 3.845 2.792 6.378 . 0 0 "[ . 1]" 1
222 1 14 ILE MD 1 40 LYS H 4.150 . 6.500 5.969 4.663 6.659 0.159 6 0 "[ . 1]" 1
223 1 14 ILE MD 1 41 TYR HB2 4.150 . 6.500 5.271 2.931 6.545 0.045 2 0 "[ . 1]" 1
224 1 14 ILE HG12 1 14 ILE MG 2.150 . 2.500 2.500 2.293 2.599 0.099 6 0 "[ . 1]" 1
225 1 14 ILE HG12 1 15 TYR H 4.150 . 6.500 4.607 4.505 4.852 . 0 0 "[ . 1]" 1
226 1 14 ILE HG13 1 15 TYR H 4.150 . 6.500 5.249 4.998 5.455 . 0 0 "[ . 1]" 1
227 1 14 ILE MG 1 15 TYR H 3.150 . 4.500 3.270 3.002 3.507 . 0 0 "[ . 1]" 1
228 1 14 ILE MG 1 15 TYR HA 3.150 . 4.500 4.269 3.974 4.636 0.136 3 0 "[ . 1]" 1
229 1 14 ILE MG 1 15 TYR HB2 4.150 . 6.500 4.706 3.476 5.048 . 0 0 "[ . 1]" 1
230 1 14 ILE MG 1 15 TYR HB3 4.150 . 6.500 4.986 3.450 5.698 . 0 0 "[ . 1]" 1
231 1 14 ILE MG 1 16 THR H 4.150 . 6.500 4.634 3.874 5.441 . 0 0 "[ . 1]" 1
232 1 14 ILE MG 1 31 HIS HB2 4.150 . 6.500 6.466 5.783 6.718 0.218 9 0 "[ . 1]" 1
233 1 15 TYR H 1 15 TYR HB2 3.150 . 4.500 2.317 2.040 3.656 . 0 0 "[ . 1]" 1
234 1 15 TYR H 1 15 TYR HB3 3.150 . 4.500 3.280 2.576 3.619 . 0 0 "[ . 1]" 1
235 1 15 TYR H 1 15 TYR QE 4.150 . 6.500 5.632 4.936 6.545 0.045 8 0 "[ . 1]" 1
236 1 15 TYR H 1 16 THR H 3.150 . 4.500 4.437 3.979 4.581 0.081 9 0 "[ . 1]" 1
237 1 15 TYR H 1 41 TYR QD 4.150 . 6.500 4.544 3.017 6.569 0.069 5 0 "[ . 1]" 1
238 1 15 TYR HA 1 15 TYR QD 3.150 . 4.500 2.432 1.860 3.085 . 0 0 "[ . 1]" 1
239 1 15 TYR HA 1 15 TYR QE 4.150 . 6.500 4.325 4.027 4.753 . 0 0 "[ . 1]" 1
240 1 15 TYR HA 1 16 THR H 4.150 . 6.500 2.288 2.122 3.504 . 0 0 "[ . 1]" 1
241 1 15 TYR HA 1 16 THR MG 4.150 . 6.500 3.964 3.277 5.214 . 0 0 "[ . 1]" 1
242 1 15 TYR HA 1 52 PHE QD 4.150 . 6.500 5.477 3.948 6.306 . 0 0 "[ . 1]" 1
243 1 15 TYR HA 1 52 PHE QE 3.150 . 4.500 4.448 3.895 4.620 0.120 6 0 "[ . 1]" 1
244 1 15 TYR HB2 1 15 TYR QD 3.150 . 4.500 2.375 2.264 2.734 . 0 0 "[ . 1]" 1
245 1 15 TYR HB2 1 15 TYR QE 4.150 . 6.500 4.407 4.375 4.504 . 0 0 "[ . 1]" 1
246 1 15 TYR HB2 1 16 THR H 3.150 . 4.500 4.304 3.508 4.594 0.094 10 0 "[ . 1]" 1
247 1 15 TYR HB2 1 52 PHE QD 4.150 . 6.500 4.563 2.829 5.706 . 0 0 "[ . 1]" 1
248 1 15 TYR HB2 1 52 PHE QE 4.150 . 6.500 3.296 2.429 4.103 . 0 0 "[ . 1]" 1
249 1 15 TYR HB3 1 15 TYR QD 3.150 . 4.500 2.580 2.310 2.771 . 0 0 "[ . 1]" 1
250 1 15 TYR HB3 1 15 TYR QE 4.150 . 6.500 4.465 4.395 4.515 . 0 0 "[ . 1]" 1
251 1 15 TYR HB3 1 16 THR H 3.150 . 4.500 3.429 2.147 4.332 . 0 0 "[ . 1]" 1
252 1 15 TYR HB3 1 52 PHE QD 3.150 . 4.500 4.242 3.250 4.562 0.062 9 0 "[ . 1]" 1
253 1 15 TYR HB3 1 52 PHE QE 4.150 . 6.500 2.789 1.936 5.676 . 0 0 "[ . 1]" 1
254 1 15 TYR QD 1 16 THR H 3.150 . 4.500 2.934 1.845 3.942 . 0 0 "[ . 1]" 1
255 1 15 TYR QE 1 16 THR H 4.150 . 6.500 4.838 3.825 5.689 . 0 0 "[ . 1]" 1
256 1 16 THR H 1 16 THR HB 3.150 . 4.500 3.736 3.332 3.985 . 0 0 "[ . 1]" 1
257 1 16 THR H 1 16 THR MG 3.150 . 4.500 3.057 2.396 4.032 . 0 0 "[ . 1]" 1
258 1 16 THR HB 1 17 LEU H 3.150 . 4.500 3.125 1.861 4.170 . 0 0 "[ . 1]" 1
259 1 16 THR MG 1 17 LEU H 3.150 . 4.500 3.279 2.079 4.473 . 0 0 "[ . 1]" 1
260 1 16 THR MG 1 42 SER QB 4.150 . 6.500 6.264 5.409 6.655 0.155 10 0 "[ . 1]" 1
261 1 17 LEU H 1 17 LEU QD 4.150 . 6.500 2.834 1.788 3.905 0.012 6 0 "[ . 1]" 1
262 1 17 LEU HA 1 18 LYS HE3 3.150 . 4.500 4.232 2.552 4.523 0.023 3 0 "[ . 1]" 1
263 1 17 LEU QD 1 18 LYS QB 3.150 . 4.500 4.142 3.467 4.513 0.013 2 0 "[ . 1]" 1
264 1 18 LYS H 1 18 LYS QB 3.150 . 4.500 2.791 2.140 3.206 . 0 0 "[ . 1]" 1
265 1 18 LYS H 1 18 LYS HE2 4.150 . 6.500 4.903 3.881 5.825 . 0 0 "[ . 1]" 1
266 1 18 LYS H 1 18 LYS HE3 4.150 . 6.500 3.566 2.228 4.403 . 0 0 "[ . 1]" 1
267 1 18 LYS H 1 19 LYS H 3.150 . 4.500 2.891 1.857 4.372 . 0 0 "[ . 1]" 1
268 1 18 LYS HA 1 19 LYS H 4.150 . 6.500 3.178 2.142 3.564 . 0 0 "[ . 1]" 1
269 1 18 LYS QB 1 19 LYS H 3.150 . 4.500 2.969 1.819 3.994 . 0 0 "[ . 1]" 1
270 1 18 LYS HE3 1 19 LYS H 4.150 . 6.500 5.023 3.635 5.840 . 0 0 "[ . 1]" 1
271 1 19 LYS H 1 19 LYS QE 4.150 . 6.500 4.933 3.697 5.806 . 0 0 "[ . 1]" 1
272 1 19 LYS HA 1 19 LYS QE 4.150 . 6.500 3.419 1.780 4.517 0.020 2 0 "[ . 1]" 1
273 1 19 LYS HA 1 20 VAL H 4.150 . 6.500 3.061 2.220 3.542 . 0 0 "[ . 1]" 1
274 1 19 LYS HB2 1 19 LYS QD 2.150 . 2.500 2.372 2.115 2.536 0.036 6 0 "[ . 1]" 1
275 1 19 LYS HB2 1 19 LYS QE 2.150 . 2.500 2.408 2.037 2.585 0.085 4 0 "[ . 1]" 1
276 1 19 LYS HB2 1 19 LYS QG 2.150 . 2.500 2.446 2.359 2.520 0.020 9 0 "[ . 1]" 1
277 1 19 LYS HB2 1 20 VAL HA 4.150 . 6.500 5.498 4.494 6.158 . 0 0 "[ . 1]" 1
278 1 19 LYS HB3 1 19 LYS QE 4.150 . 6.500 3.506 2.658 3.808 . 0 0 "[ . 1]" 1
279 1 19 LYS HB3 1 20 VAL H 3.150 . 4.500 3.212 2.038 4.170 . 0 0 "[ . 1]" 1
280 1 19 LYS HB3 1 20 VAL MG1 4.150 . 6.500 6.228 5.685 6.661 0.161 3 0 "[ . 1]" 1
281 1 19 LYS HB3 1 21 THR H 3.150 . 4.500 4.467 4.265 4.559 0.059 6 0 "[ . 1]" 1
282 1 19 LYS QD 1 19 LYS QE 2.150 . 2.500 2.071 2.031 2.091 . 0 0 "[ . 1]" 1
283 1 19 LYS QE 1 19 LYS QG 2.150 . 2.500 2.212 2.053 2.383 . 0 0 "[ . 1]" 1
284 1 19 LYS QE 1 20 VAL MG1 3.150 . 4.500 4.301 3.808 4.582 0.082 4 0 "[ . 1]" 1
285 1 19 LYS QE 1 21 THR HB 3.150 . 4.500 3.682 1.943 4.541 0.041 7 0 "[ . 1]" 1
286 1 19 LYS QE 1 21 THR MG 4.150 . 6.500 4.568 3.437 5.626 . 0 0 "[ . 1]" 1
287 1 19 LYS QG 1 20 VAL HA 4.150 . 6.500 4.031 3.736 4.671 . 0 0 "[ . 1]" 1
288 1 19 LYS QG 1 20 VAL HB 3.150 . 4.500 3.352 2.344 4.324 . 0 0 "[ . 1]" 1
289 1 19 LYS QG 1 21 THR HA 3.150 . 4.500 4.158 3.801 4.510 0.010 7 0 "[ . 1]" 1
290 1 20 VAL H 1 20 VAL HB 3.150 . 4.500 3.078 2.501 3.779 . 0 0 "[ . 1]" 1
291 1 20 VAL H 1 20 VAL QG 3.150 . 4.500 2.644 1.889 3.340 . 0 0 "[ . 1]" 1
292 1 20 VAL HA 1 20 VAL MG1 2.150 . 2.500 2.414 2.115 2.577 0.077 4 0 "[ . 1]" 1
293 1 20 VAL HB 1 20 VAL MG1 2.150 . 2.500 2.102 2.087 2.128 . 0 0 "[ . 1]" 1
294 1 20 VAL HB 1 21 THR H 3.150 . 4.500 2.596 2.163 3.999 . 0 0 "[ . 1]" 1
295 1 20 VAL HB 1 21 THR HA 3.150 . 4.500 4.459 4.071 4.663 0.163 4 0 "[ . 1]" 1
296 1 20 VAL HB 1 21 THR HB 3.150 . 4.500 4.395 3.908 4.540 0.040 8 0 "[ . 1]" 1
297 1 20 VAL MG1 1 21 THR H 4.150 . 6.500 3.138 2.425 4.193 . 0 0 "[ . 1]" 1
298 1 20 VAL MG1 1 21 THR HA 3.150 . 4.500 3.441 3.070 4.191 . 0 0 "[ . 1]" 1
299 1 20 VAL MG1 1 21 THR HB 4.150 . 6.500 4.367 3.319 5.380 . 0 0 "[ . 1]" 1
300 1 20 VAL MG1 1 22 GLU H 3.150 . 4.500 4.370 3.780 4.564 0.064 5 0 "[ . 1]" 1
301 1 21 THR H 1 21 THR HB 4.150 . 6.500 2.494 2.315 3.039 . 0 0 "[ . 1]" 1
302 1 21 THR H 1 21 THR MG 4.150 . 6.500 3.340 2.078 3.795 . 0 0 "[ . 1]" 1
303 1 21 THR H 1 22 GLU H 4.150 . 6.500 3.724 2.387 4.515 . 0 0 "[ . 1]" 1
304 1 21 THR H 1 23 SER H 4.150 . 6.500 6.140 5.115 6.548 0.048 5 0 "[ . 1]" 1
305 1 21 THR HA 1 21 THR MG 3.150 . 4.500 2.655 2.315 3.201 . 0 0 "[ . 1]" 1
306 1 21 THR HB 1 22 GLU H 4.150 . 6.500 4.244 2.009 4.649 . 0 0 "[ . 1]" 1
307 1 21 THR MG 1 22 GLU H 3.150 . 4.500 3.441 2.547 3.928 . 0 0 "[ . 1]" 1
308 1 22 GLU H 1 22 GLU HB2 4.150 . 6.500 3.335 2.275 4.093 . 0 0 "[ . 1]" 1
309 1 22 GLU H 1 22 GLU HB3 4.150 . 6.500 3.380 2.681 3.991 . 0 0 "[ . 1]" 1
310 1 22 GLU H 1 22 GLU QG 4.150 . 6.500 2.926 1.812 4.070 . 0 0 "[ . 1]" 1
311 1 22 GLU HA 1 23 SER H 4.150 . 6.500 2.772 2.177 3.571 . 0 0 "[ . 1]" 1
312 1 22 GLU HB2 1 22 GLU QG 2.150 . 2.500 2.286 2.129 2.519 0.019 1 0 "[ . 1]" 1
313 1 22 GLU HB2 1 23 SER H 3.150 . 4.500 3.531 2.120 4.548 0.048 7 0 "[ . 1]" 1
314 1 22 GLU HB3 1 23 SER H 3.150 . 4.500 3.907 2.154 4.614 0.114 10 0 "[ . 1]" 1
315 1 22 GLU QG 1 23 SER HA 4.150 . 6.500 5.246 3.511 6.240 . 0 0 "[ . 1]" 1
316 1 23 SER H 1 23 SER QB 3.150 . 4.500 3.075 2.207 3.342 . 0 0 "[ . 1]" 1
317 1 23 SER H 1 54 LEU MD1 4.150 . 6.500 5.466 4.066 6.544 0.044 10 0 "[ . 1]" 1
318 1 23 SER HA 1 24 GLY H 2.150 . 2.500 2.436 2.178 2.657 0.157 8 0 "[ . 1]" 1
319 1 23 SER HA 1 54 LEU QB 4.150 . 6.500 4.596 1.955 6.571 0.071 5 0 "[ . 1]" 1
320 1 23 SER HA 1 54 LEU MD1 4.150 . 6.500 4.207 1.849 5.211 . 0 0 "[ . 1]" 1
321 1 23 SER HA 1 54 LEU MD2 3.150 . 4.500 3.159 1.818 4.528 0.028 4 0 "[ . 1]" 1
322 1 23 SER QB 1 26 ILE MD 3.150 . 4.500 4.045 2.116 4.582 0.082 9 0 "[ . 1]" 1
323 1 23 SER QB 1 54 LEU H 3.150 . 4.500 3.475 1.849 4.578 0.078 10 0 "[ . 1]" 1
324 1 23 SER QB 1 54 LEU QB 3.150 . 4.500 3.799 2.335 4.559 0.059 8 0 "[ . 1]" 1
325 1 23 SER QB 1 54 LEU MD2 3.150 . 4.500 3.116 1.879 3.756 . 0 0 "[ . 1]" 1
326 1 23 SER QB 1 56 PRO HG2 4.150 . 6.500 5.767 3.852 6.532 0.032 8 0 "[ . 1]" 1
327 1 23 SER QB 1 56 PRO HG3 4.150 . 6.500 5.689 2.212 6.547 0.047 10 0 "[ . 1]" 1
328 1 24 GLY H 1 24 GLY QA 2.150 . 2.500 2.370 2.255 2.503 0.003 8 0 "[ . 1]" 1
329 1 24 GLY H 1 39 ASP H 4.150 . 6.500 6.581 6.416 6.683 0.183 9 0 "[ . 1]" 1
330 1 25 GLU QG 1 26 ILE H 3.150 . 4.500 3.898 2.481 4.503 0.003 9 0 "[ . 1]" 1
331 1 26 ILE H 1 26 ILE HB 2.150 . 2.500 2.423 2.173 2.705 0.205 7 0 "[ . 1]" 1
332 1 26 ILE H 1 26 ILE HG12 4.150 . 6.500 4.108 2.468 4.741 . 0 0 "[ . 1]" 1
333 1 26 ILE H 1 26 ILE HG13 3.150 . 4.500 3.894 2.247 4.523 0.023 4 0 "[ . 1]" 1
334 1 26 ILE H 1 26 ILE MG 4.150 . 6.500 3.057 2.303 3.845 . 0 0 "[ . 1]" 1
335 1 26 ILE HA 1 26 ILE MD 4.150 . 6.500 3.372 2.304 3.989 . 0 0 "[ . 1]" 1
336 1 26 ILE HA 1 26 ILE HG12 4.150 . 6.500 2.575 2.069 3.473 . 0 0 "[ . 1]" 1
337 1 26 ILE HA 1 26 ILE HG13 4.150 . 6.500 2.890 2.016 3.615 . 0 0 "[ . 1]" 1
338 1 26 ILE HA 1 55 VAL HB 4.150 . 6.500 5.866 4.699 6.586 0.086 1 0 "[ . 1]" 1
339 1 26 ILE HB 1 26 ILE MD 3.150 . 4.500 2.709 2.090 3.192 . 0 0 "[ . 1]" 1
340 1 26 ILE HB 1 27 THR H 4.150 . 6.500 3.678 1.923 4.264 . 0 0 "[ . 1]" 1
341 1 26 ILE HB 1 29 SER H 4.150 . 6.500 4.977 3.927 5.476 . 0 0 "[ . 1]" 1
342 1 26 ILE HB 1 54 LEU MD1 4.150 . 6.500 6.136 5.451 6.547 0.047 3 0 "[ . 1]" 1
343 1 26 ILE HB 1 55 VAL HB 4.150 . 6.500 5.102 3.568 6.576 0.076 7 0 "[ . 1]" 1
344 1 26 ILE MD 1 31 HIS HB2 4.150 . 6.500 5.976 3.707 6.693 0.193 9 0 "[ . 1]" 1
345 1 26 ILE HG12 1 26 ILE MG 3.150 . 4.500 2.661 2.058 3.174 . 0 0 "[ . 1]" 1
346 1 26 ILE HG13 1 26 ILE MG 3.150 . 4.500 2.905 2.449 3.165 . 0 0 "[ . 1]" 1
347 1 26 ILE HG13 1 29 SER HA 4.150 . 6.500 5.863 4.203 6.549 0.049 3 0 "[ . 1]" 1
348 1 26 ILE MG 1 27 THR H 3.150 . 4.500 2.784 1.795 3.994 0.005 5 0 "[ . 1]" 1
349 1 26 ILE MG 1 27 THR HB 3.150 . 4.500 4.315 3.540 4.590 0.090 4 0 "[ . 1]" 1
350 1 26 ILE MG 1 29 SER HA 4.150 . 6.500 4.162 3.394 5.498 . 0 0 "[ . 1]" 1
351 1 26 ILE MG 1 29 SER QB 3.150 . 4.500 3.772 1.775 4.677 0.177 10 0 "[ . 1]" 1
352 1 26 ILE MG 1 52 PHE H 4.150 . 6.500 6.295 4.757 6.634 0.134 10 0 "[ . 1]" 1
353 1 26 ILE MG 1 54 LEU HA 3.150 . 4.500 3.358 2.154 4.581 0.081 5 0 "[ . 1]" 1
354 1 26 ILE MG 1 56 PRO HD2 4.150 . 6.500 4.225 3.558 6.056 . 0 0 "[ . 1]" 1
355 1 26 ILE MG 1 56 PRO HD3 3.150 . 4.500 4.374 3.729 4.549 0.049 3 0 "[ . 1]" 1
356 1 27 THR H 1 27 THR HB 4.150 . 6.500 2.918 2.321 3.739 . 0 0 "[ . 1]" 1
357 1 27 THR H 1 27 THR MG 4.150 . 6.500 3.614 2.154 4.050 . 0 0 "[ . 1]" 1
358 1 27 THR H 1 28 LYS H 2.150 . 2.500 2.438 1.900 2.617 0.117 10 0 "[ . 1]" 1
359 1 27 THR H 1 37 PRO QD 4.150 . 6.500 5.340 3.395 6.542 0.042 10 0 "[ . 1]" 1
360 1 27 THR HB 1 28 LYS H 4.150 . 6.500 3.161 2.120 4.197 . 0 0 "[ . 1]" 1
361 1 28 LYS H 1 28 LYS QG 4.150 . 6.500 3.662 2.448 4.585 . 0 0 "[ . 1]" 1
362 1 28 LYS HA 1 29 SER H 2.150 . 2.500 2.297 2.133 2.596 0.096 9 0 "[ . 1]" 1
363 1 28 LYS HA 1 38 ASP H 4.150 . 6.500 6.099 3.662 6.667 0.167 10 0 "[ . 1]" 1
364 1 28 LYS QB 1 29 SER H 4.150 . 6.500 3.748 3.308 3.971 . 0 0 "[ . 1]" 1
365 1 28 LYS QB 1 30 ALA H 4.150 . 6.500 6.180 5.145 6.618 0.118 7 0 "[ . 1]" 1
366 1 28 LYS QG 1 30 ALA H 4.150 . 6.500 6.007 5.144 6.507 0.007 5 0 "[ . 1]" 1
367 1 29 SER H 1 29 SER QB 3.150 . 4.500 2.802 2.202 3.058 . 0 0 "[ . 1]" 1
368 1 29 SER H 1 52 PHE HA 4.150 . 6.500 6.197 5.417 6.898 0.398 6 0 "[ . 1]" 1
369 1 29 SER HA 1 30 ALA H 4.150 . 6.500 2.574 2.166 2.990 . 0 0 "[ . 1]" 1
370 1 29 SER HA 1 30 ALA MB 3.150 . 4.500 4.240 3.999 4.496 . 0 0 "[ . 1]" 1
371 1 29 SER HA 1 39 ASP H 4.150 . 6.500 4.119 1.853 6.607 0.107 9 0 "[ . 1]" 1
372 1 29 SER HA 1 41 TYR HB2 4.150 . 6.500 5.304 3.380 6.581 0.081 2 0 "[ . 1]" 1
373 1 29 SER HA 1 41 TYR QE 4.150 . 6.500 5.766 4.310 6.651 0.151 7 0 "[ . 1]" 1
374 1 29 SER QB 1 30 ALA H 3.150 . 4.500 2.637 1.864 3.678 . 0 0 "[ . 1]" 1
375 1 29 SER QB 1 30 ALA MB 3.150 . 4.500 4.043 3.678 4.606 0.106 5 0 "[ . 1]" 1
376 1 29 SER QB 1 39 ASP H 3.150 . 4.500 4.096 2.393 4.588 0.088 10 0 "[ . 1]" 1
377 1 29 SER QB 1 39 ASP HA 4.150 . 6.500 3.877 2.551 5.948 . 0 0 "[ . 1]" 1
378 1 29 SER QB 1 39 ASP HB2 4.150 . 6.500 4.218 1.789 6.691 0.191 7 0 "[ . 1]" 1
379 1 29 SER QB 1 41 TYR HA 4.150 . 6.500 5.858 4.431 6.547 0.047 10 0 "[ . 1]" 1
380 1 30 ALA H 1 30 ALA MB 3.150 . 4.500 2.490 2.115 2.830 . 0 0 "[ . 1]" 1
381 1 30 ALA HA 1 31 HIS H 2.150 . 2.500 2.447 2.132 3.045 0.545 9 1 "[ . +1]" 1
382 1 30 ALA MB 1 31 HIS H 3.150 . 4.500 3.244 2.115 3.708 . 0 0 "[ . 1]" 1
383 1 30 ALA MB 1 31 HIS HA 3.150 . 4.500 4.507 4.075 4.847 0.347 5 0 "[ . 1]" 1
384 1 30 ALA MB 1 31 HIS HB3 4.150 . 6.500 5.552 5.021 6.059 . 0 0 "[ . 1]" 1
385 1 30 ALA MB 1 31 HIS HD2 3.150 . 4.500 4.042 2.929 4.683 0.183 10 0 "[ . 1]" 1
386 1 30 ALA MB 1 32 PRO HD2 4.150 . 6.500 6.097 4.238 6.551 0.051 5 0 "[ . 1]" 1
387 1 30 ALA MB 1 41 TYR QE 4.150 . 6.500 5.247 2.789 6.745 0.245 5 0 "[ . 1]" 1
388 1 31 HIS H 1 31 HIS HB2 4.150 . 6.500 3.056 2.325 3.899 . 0 0 "[ . 1]" 1
389 1 31 HIS H 1 31 HIS HB3 4.150 . 6.500 3.515 2.400 3.969 . 0 0 "[ . 1]" 1
390 1 31 HIS H 1 32 PRO HD2 4.150 . 6.500 4.753 3.274 5.243 . 0 0 "[ . 1]" 1
391 1 31 HIS HA 1 32 PRO HD2 4.150 . 6.500 2.560 2.207 2.780 . 0 0 "[ . 1]" 1
392 1 31 HIS HA 1 32 PRO HD3 4.150 . 6.500 2.198 1.856 3.130 . 0 0 "[ . 1]" 1
393 1 31 HIS HA 1 32 PRO QG 3.150 . 4.500 3.967 3.798 4.193 . 0 0 "[ . 1]" 1
394 1 31 HIS HA 1 33 ALA H 3.150 . 4.500 3.771 2.809 4.364 . 0 0 "[ . 1]" 1
395 1 31 HIS HA 1 36 SER H 3.150 . 4.500 4.439 4.044 4.603 0.103 8 0 "[ . 1]" 1
396 1 31 HIS HB2 1 32 PRO HD2 4.150 . 6.500 3.743 1.834 4.885 . 0 0 "[ . 1]" 1
397 1 31 HIS HB2 1 32 PRO HD3 3.150 . 4.500 4.365 3.062 4.603 0.103 2 0 "[ . 1]" 1
398 1 31 HIS HB2 1 32 PRO QG 4.150 . 6.500 5.232 3.720 6.003 . 0 0 "[ . 1]" 1
399 1 31 HIS HB3 1 32 PRO HD2 4.150 . 6.500 2.883 2.098 4.638 . 0 0 "[ . 1]" 1
400 1 31 HIS HB3 1 32 PRO HD3 4.150 . 6.500 3.758 3.156 4.977 . 0 0 "[ . 1]" 1
401 1 31 HIS HB3 1 33 ALA HA 3.150 . 4.500 4.499 4.169 4.757 0.257 3 0 "[ . 1]" 1
402 1 32 PRO HA 1 32 PRO HD2 4.150 . 6.500 4.055 3.981 4.078 . 0 0 "[ . 1]" 1
403 1 32 PRO HA 1 33 ALA H 4.150 . 6.500 3.439 3.316 3.543 . 0 0 "[ . 1]" 1
404 1 32 PRO HA 1 33 ALA MB 3.150 . 4.500 4.034 3.764 4.227 . 0 0 "[ . 1]" 1
405 1 32 PRO HB2 1 32 PRO HD2 4.150 . 6.500 3.959 3.826 4.007 . 0 0 "[ . 1]" 1
406 1 32 PRO HB2 1 32 PRO HD3 3.150 . 4.500 4.016 3.982 4.091 . 0 0 "[ . 1]" 1
407 1 32 PRO HB2 1 33 ALA H 3.150 . 4.500 3.568 3.142 3.966 . 0 0 "[ . 1]" 1
408 1 32 PRO HB3 1 32 PRO HD2 4.150 . 6.500 3.891 3.861 3.923 . 0 0 "[ . 1]" 1
409 1 32 PRO HB3 1 33 ALA H 4.150 . 6.500 4.164 3.877 4.400 . 0 0 "[ . 1]" 1
410 1 32 PRO HD2 1 33 ALA HA 3.150 . 4.500 4.528 4.350 4.665 0.165 2 0 "[ . 1]" 1
411 1 32 PRO HD2 1 36 SER H 3.150 . 4.500 3.503 2.214 4.430 . 0 0 "[ . 1]" 1
412 1 32 PRO HD3 1 33 ALA MB 4.150 . 6.500 5.651 5.346 5.863 . 0 0 "[ . 1]" 1
413 1 32 PRO HD3 1 56 PRO HD2 4.150 . 6.500 6.607 6.508 6.764 0.264 6 0 "[ . 1]" 1
414 1 32 PRO QG 1 33 ALA H 4.150 . 6.500 2.560 1.859 3.132 . 0 0 "[ . 1]" 1
415 1 33 ALA H 1 33 ALA MB 3.150 . 4.500 3.028 2.912 3.108 . 0 0 "[ . 1]" 1
416 1 33 ALA H 1 34 ARG H 4.150 . 6.500 2.436 1.843 3.725 . 0 0 "[ . 1]" 1
417 1 33 ALA HA 1 34 ARG H 4.150 . 6.500 3.041 2.144 3.542 . 0 0 "[ . 1]" 1
418 1 33 ALA MB 1 34 ARG H 4.150 . 6.500 3.200 2.609 3.713 . 0 0 "[ . 1]" 1
419 1 35 PHE HA 1 35 PHE QD 3.150 . 4.500 2.738 1.921 3.676 . 0 0 "[ . 1]" 1
420 1 35 PHE HA 1 36 SER H 2.150 . 2.500 2.368 2.185 2.673 0.173 8 0 "[ . 1]" 1
421 1 35 PHE QB 1 36 SER H 3.150 . 4.500 3.855 3.059 4.090 . 0 0 "[ . 1]" 1
422 1 35 PHE QD 1 36 SER H 3.150 . 4.500 4.113 3.467 4.524 0.024 8 0 "[ . 1]" 1
423 1 37 PRO HA 1 40 LYS H 4.150 . 6.500 6.529 6.106 6.890 0.390 8 0 "[ . 1]" 1
424 1 37 PRO HB2 1 38 ASP H 3.150 . 4.500 3.204 1.764 4.128 0.036 8 0 "[ . 1]" 1
425 1 37 PRO HB2 1 38 ASP HA 4.150 . 6.500 4.484 3.956 5.188 . 0 0 "[ . 1]" 1
426 1 37 PRO HB3 1 38 ASP H 4.150 . 6.500 3.257 2.342 4.527 . 0 0 "[ . 1]" 1
427 1 37 PRO QD 1 38 ASP H 4.150 . 6.500 4.552 2.675 4.997 . 0 0 "[ . 1]" 1
428 1 38 ASP H 1 39 ASP HB2 4.150 . 6.500 4.658 3.721 5.944 . 0 0 "[ . 1]" 1
429 1 38 ASP HA 1 40 LYS H 3.150 . 4.500 3.648 2.822 4.632 0.132 6 0 "[ . 1]" 1
430 1 38 ASP HA 1 41 TYR HB3 4.150 . 6.500 5.650 2.318 6.557 0.057 8 0 "[ . 1]" 1
431 1 38 ASP QB 1 39 ASP HA 4.150 . 6.500 4.400 3.677 5.144 . 0 0 "[ . 1]" 1
432 1 39 ASP H 1 39 ASP HA 2.150 . 2.500 2.288 2.261 2.319 . 0 0 "[ . 1]" 1
433 1 39 ASP H 1 39 ASP HB2 3.150 . 4.500 3.383 3.057 4.051 . 0 0 "[ . 1]" 1
434 1 39 ASP H 1 39 ASP HB3 4.150 . 6.500 3.825 3.275 4.118 . 0 0 "[ . 1]" 1
435 1 39 ASP H 1 40 LYS H 3.150 . 4.500 2.720 2.359 3.435 . 0 0 "[ . 1]" 1
436 1 39 ASP H 1 40 LYS QD 4.150 . 6.500 6.231 5.521 6.864 0.364 10 0 "[ . 1]" 1
437 1 39 ASP HA 1 40 LYS QG 4.150 . 6.500 4.839 3.530 5.824 . 0 0 "[ . 1]" 1
438 1 39 ASP HA 1 41 TYR QD 4.150 . 6.500 5.655 4.091 6.779 0.279 9 0 "[ . 1]" 1
439 1 39 ASP HB2 1 40 LYS H 3.150 . 4.500 3.964 3.364 4.511 0.011 4 0 "[ . 1]" 1
440 1 39 ASP HB2 1 40 LYS HA 4.150 . 6.500 5.854 5.272 6.487 . 0 0 "[ . 1]" 1
441 1 39 ASP HB2 1 41 TYR H 3.150 . 4.500 3.701 2.666 4.561 0.061 8 0 "[ . 1]" 1
442 1 39 ASP HB2 1 41 TYR HB2 3.150 . 4.500 3.847 2.878 4.580 0.080 7 0 "[ . 1]" 1
443 1 39 ASP HB2 1 42 SER H 4.150 . 6.500 6.016 3.899 6.712 0.212 5 0 "[ . 1]" 1
444 1 39 ASP HB3 1 41 TYR HB3 3.150 . 4.500 4.414 3.596 4.699 0.199 5 0 "[ . 1]" 1
445 1 40 LYS H 1 40 LYS HA 2.150 . 2.500 2.316 2.275 2.500 . 7 0 "[ . 1]" 1
446 1 40 LYS H 1 40 LYS QG 3.150 . 4.500 3.747 2.204 4.503 0.003 9 0 "[ . 1]" 1
447 1 40 LYS H 1 41 TYR H 3.150 . 4.500 2.369 1.740 2.886 0.060 5 0 "[ . 1]" 1
448 1 40 LYS H 1 42 SER H 4.150 . 6.500 5.075 3.567 6.590 0.090 9 0 "[ . 1]" 1
449 1 40 LYS HA 1 40 LYS QG 3.150 . 4.500 2.987 2.475 3.400 . 0 0 "[ . 1]" 1
450 1 40 LYS HA 1 41 TYR H 3.150 . 4.500 3.000 2.727 3.322 . 0 0 "[ . 1]" 1
451 1 40 LYS HA 1 52 PHE HB2 4.150 . 6.500 4.343 2.142 6.752 0.252 5 0 "[ . 1]" 1
452 1 40 LYS QB 1 41 TYR H 3.150 . 4.500 3.768 3.509 3.945 . 0 0 "[ . 1]" 1
453 1 40 LYS QB 1 41 TYR HA 4.150 . 6.500 4.636 4.260 4.964 . 0 0 "[ . 1]" 1
454 1 40 LYS QE 1 40 LYS QG 3.150 . 4.500 2.197 1.939 2.830 . 0 0 "[ . 1]" 1
455 1 40 LYS QE 1 42 SER HA 4.150 . 6.500 6.256 5.809 6.598 0.098 6 0 "[ . 1]" 1
456 1 40 LYS QG 1 41 TYR H 3.150 . 4.500 4.046 2.615 4.618 0.118 8 0 "[ . 1]" 1
457 1 41 TYR H 1 41 TYR HB2 3.150 . 4.500 2.513 2.144 3.381 . 0 0 "[ . 1]" 1
458 1 41 TYR H 1 41 TYR HB3 3.150 . 4.500 2.977 2.149 3.581 . 0 0 "[ . 1]" 1
459 1 41 TYR H 1 41 TYR QD 3.150 . 4.500 3.442 2.226 4.217 . 0 0 "[ . 1]" 1
460 1 41 TYR H 1 41 TYR QE 4.150 . 6.500 5.501 4.568 6.240 . 0 0 "[ . 1]" 1
461 1 41 TYR HA 1 41 TYR QD 3.150 . 4.500 2.610 1.864 3.128 . 0 0 "[ . 1]" 1
462 1 41 TYR HA 1 41 TYR QE 3.150 . 4.500 4.506 4.115 5.020 0.520 10 1 "[ . +]" 1
463 1 41 TYR HA 1 42 SER H 3.150 . 4.500 3.030 2.112 3.567 . 0 0 "[ . 1]" 1
464 1 41 TYR HA 1 52 PHE QD 3.150 . 4.500 3.652 2.284 4.518 0.018 1 0 "[ . 1]" 1
465 1 41 TYR HA 1 52 PHE QE 3.150 . 4.500 4.189 3.012 4.771 0.271 10 0 "[ . 1]" 1
466 1 41 TYR HB2 1 41 TYR QE 3.150 . 4.500 4.443 4.350 4.500 . 0 0 "[ . 1]" 1
467 1 41 TYR HB2 1 42 SER H 3.150 . 4.500 3.513 2.220 4.550 0.050 5 0 "[ . 1]" 1
468 1 41 TYR HB2 1 52 PHE QD 4.150 . 6.500 5.076 3.400 6.156 . 0 0 "[ . 1]" 1
469 1 41 TYR HB2 1 52 PHE QE 4.150 . 6.500 5.967 4.550 6.543 0.043 4 0 "[ . 1]" 1
470 1 41 TYR HB3 1 41 TYR QE 3.150 . 4.500 4.419 4.340 4.513 0.013 2 0 "[ . 1]" 1
471 1 41 TYR HB3 1 42 SER H 3.150 . 4.500 3.281 1.778 4.397 0.022 8 0 "[ . 1]" 1
472 1 41 TYR HB3 1 52 PHE QD 4.150 . 6.500 5.233 4.097 6.269 . 0 0 "[ . 1]" 1
473 1 41 TYR HB3 1 52 PHE QE 4.150 . 6.500 6.037 5.366 6.548 0.048 1 0 "[ . 1]" 1
474 1 41 TYR QD 1 42 SER H 3.150 . 4.500 3.679 1.802 4.423 . 0 0 "[ . 1]" 1
475 1 41 TYR QD 1 52 PHE HB2 4.150 . 6.500 5.808 2.536 6.872 0.372 10 0 "[ . 1]" 1
476 1 41 TYR QD 1 52 PHE HB3 4.150 . 6.500 5.713 3.889 6.534 0.034 2 0 "[ . 1]" 1
477 1 41 TYR QE 1 42 SER H 4.150 . 6.500 5.445 3.479 6.520 0.020 4 0 "[ . 1]" 1
478 1 42 SER H 1 42 SER QB 3.150 . 4.500 2.591 2.108 3.204 . 0 0 "[ . 1]" 1
479 1 42 SER H 1 44 GLN H 4.150 . 6.500 6.155 5.026 6.513 0.013 5 0 "[ . 1]" 1
480 1 44 GLN HA 1 45 ARG H 4.150 . 6.500 2.516 2.175 3.570 . 0 0 "[ . 1]" 1
481 1 45 ARG H 1 45 ARG QG 4.150 . 6.500 3.678 2.169 4.311 . 0 0 "[ . 1]" 1
482 1 45 ARG H 1 49 LYS H 3.150 . 4.500 4.383 4.088 4.519 0.019 1 0 "[ . 1]" 1
483 1 45 ARG QG 1 46 VAL H 4.150 . 6.500 3.658 1.993 4.608 . 0 0 "[ . 1]" 1
484 1 46 VAL H 1 46 VAL HB 3.150 . 4.500 3.213 2.540 3.811 . 0 0 "[ . 1]" 1
485 1 46 VAL HB 1 47 THR H 4.150 . 6.500 3.865 2.485 4.643 . 0 0 "[ . 1]" 1
486 1 46 VAL QG 1 47 THR H 4.150 . 6.500 3.018 1.805 3.651 . 0 0 "[ . 1]" 1
487 1 47 THR H 1 47 THR HB 4.150 . 6.500 3.243 2.670 4.035 . 0 0 "[ . 1]" 1
488 1 47 THR H 1 47 THR MG 4.150 . 6.500 2.999 1.918 4.069 . 0 0 "[ . 1]" 1
489 1 47 THR HB 1 48 LEU H 3.150 . 4.500 3.395 1.933 4.533 0.033 4 0 "[ . 1]" 1
490 1 47 THR MG 1 49 LYS H 3.150 . 4.500 3.784 2.226 4.516 0.016 8 0 "[ . 1]" 1
491 1 48 LEU H 1 48 LEU QB 3.150 . 4.500 2.835 2.041 3.422 . 0 0 "[ . 1]" 1
492 1 48 LEU H 1 48 LEU QD 3.150 . 4.500 3.462 1.941 4.200 . 0 0 "[ . 1]" 1
493 1 48 LEU HA 1 49 LYS H 4.150 . 6.500 2.866 2.183 3.552 . 0 0 "[ . 1]" 1
494 1 51 ARG HA 1 52 PHE H 4.150 . 6.500 2.512 2.259 3.530 . 0 0 "[ . 1]" 1
495 1 51 ARG QB 1 52 PHE H 3.150 . 4.500 2.771 1.942 3.917 . 0 0 "[ . 1]" 1
496 1 51 ARG QB 1 52 PHE HA 4.150 . 6.500 4.139 3.818 4.469 . 0 0 "[ . 1]" 1
497 1 52 PHE H 1 52 PHE HB2 4.150 . 6.500 3.373 2.517 4.125 . 0 0 "[ . 1]" 1
498 1 52 PHE H 1 52 PHE HB3 4.150 . 6.500 3.664 2.995 4.145 . 0 0 "[ . 1]" 1
499 1 52 PHE H 1 52 PHE QD 3.150 . 4.500 2.952 1.936 4.188 . 0 0 "[ . 1]" 1
500 1 52 PHE HA 1 52 PHE QD 3.150 . 4.500 3.276 2.837 3.668 . 0 0 "[ . 1]" 1
501 1 52 PHE HA 1 52 PHE QE 4.150 . 6.500 5.031 4.394 5.598 . 0 0 "[ . 1]" 1
502 1 52 PHE HA 1 53 GLY H 3.150 . 4.500 2.630 2.144 3.579 . 0 0 "[ . 1]" 1
503 1 52 PHE HB2 1 53 GLY H 3.150 . 4.500 3.814 1.996 4.520 0.020 9 0 "[ . 1]" 1
504 1 53 GLY QA 1 54 LEU QB 3.150 . 4.500 4.164 3.937 4.444 . 0 0 "[ . 1]" 1
505 1 53 GLY QA 1 54 LEU HG 3.150 . 4.500 3.709 2.934 4.557 0.057 4 0 "[ . 1]" 1
506 1 54 LEU HA 1 54 LEU MD1 4.150 . 6.500 3.685 2.412 4.131 . 0 0 "[ . 1]" 1
507 1 54 LEU HA 1 54 LEU MD2 4.150 . 6.500 3.130 1.890 4.120 . 0 0 "[ . 1]" 1
508 1 54 LEU QB 1 55 VAL H 3.150 . 4.500 2.793 1.757 3.909 0.043 8 0 "[ . 1]" 1
509 1 54 LEU QB 1 55 VAL HA 3.150 . 4.500 4.168 3.681 4.539 0.039 6 0 "[ . 1]" 1
510 1 54 LEU QB 1 56 PRO HD2 3.150 . 4.500 3.671 1.895 4.559 0.059 8 0 "[ . 1]" 1
511 1 55 VAL H 1 55 VAL HA 3.150 2.800 3.500 2.879 2.784 2.948 0.016 7 0 "[ . 1]" 1
512 1 55 VAL H 1 55 VAL HB 3.150 . 4.500 3.041 2.431 3.829 . 0 0 "[ . 1]" 1
513 1 55 VAL H 1 55 VAL MG1 3.150 . 4.500 3.643 1.920 3.943 . 0 0 "[ . 1]" 1
514 1 55 VAL HA 1 55 VAL MG1 3.150 . 4.500 2.367 2.033 3.193 . 0 0 "[ . 1]" 1
515 1 55 VAL HA 1 56 PRO HD2 4.150 . 6.500 3.077 2.107 3.691 . 0 0 "[ . 1]" 1
516 1 55 VAL HA 1 56 PRO HD3 3.150 . 4.500 3.938 2.892 4.547 0.047 10 0 "[ . 1]" 1
517 1 55 VAL HB 1 56 PRO HD2 4.150 . 6.500 3.467 2.011 4.783 . 0 0 "[ . 1]" 1
518 1 55 VAL HB 1 56 PRO HD3 4.150 . 6.500 3.514 1.974 5.094 . 0 0 "[ . 1]" 1
519 1 55 VAL QG 1 56 PRO HA 3.150 . 4.500 3.869 3.295 4.550 0.050 8 0 "[ . 1]" 1
520 1 55 VAL QG 1 56 PRO HD2 3.150 . 4.500 3.412 2.980 3.816 . 0 0 "[ . 1]" 1
521 1 55 VAL QG 1 56 PRO HD3 3.150 . 4.500 3.431 2.746 4.067 . 0 0 "[ . 1]" 1
522 1 55 VAL MG1 1 57 GLY QA 3.150 . 4.500 4.577 4.063 4.821 0.321 1 0 "[ . 1]" 1
523 1 55 VAL MG2 1 56 PRO HB3 4.150 . 6.500 6.093 5.666 6.500 0.000 3 0 "[ . 1]" 1
524 1 55 VAL MG2 1 56 PRO HD2 4.150 . 6.500 3.781 3.292 4.552 . 0 0 "[ . 1]" 1
525 1 55 VAL MG2 1 56 PRO HD3 3.150 . 4.500 4.064 3.698 4.463 . 0 0 "[ . 1]" 1
526 1 56 PRO HA 1 56 PRO HD2 3.150 . 4.500 4.035 3.927 4.106 . 0 0 "[ . 1]" 1
527 1 56 PRO HA 1 56 PRO HD3 4.150 . 6.500 3.314 2.960 3.643 . 0 0 "[ . 1]" 1
528 1 56 PRO HA 1 56 PRO HG2 4.150 . 6.500 3.854 3.803 3.908 . 0 0 "[ . 1]" 1
529 1 56 PRO HA 1 56 PRO HG3 4.150 . 6.500 3.937 3.781 4.042 . 0 0 "[ . 1]" 1
530 1 56 PRO HA 1 57 GLY H 3.150 . 4.500 3.166 2.581 3.575 . 0 0 "[ . 1]" 1
531 1 56 PRO HA 1 57 GLY QA 4.150 . 6.500 4.264 4.087 4.459 . 0 0 "[ . 1]" 1
532 1 56 PRO HB2 1 56 PRO HD2 4.150 . 6.500 4.049 4.003 4.100 . 0 0 "[ . 1]" 1
533 1 56 PRO HB2 1 56 PRO HD3 4.150 . 6.500 3.867 3.795 3.920 . 0 0 "[ . 1]" 1
534 1 56 PRO HB2 1 57 GLY QA 3.150 . 4.500 4.273 4.031 4.515 0.015 1 0 "[ . 1]" 1
535 1 56 PRO HB3 1 56 PRO HD2 4.150 . 6.500 3.894 3.809 3.973 . 0 0 "[ . 1]" 1
536 1 56 PRO HB3 1 56 PRO HD3 4.150 . 6.500 2.953 2.769 3.076 . 0 0 "[ . 1]" 1
537 1 56 PRO HD2 1 57 GLY H 3.150 . 4.500 3.741 2.913 4.612 0.112 1 0 "[ . 1]" 1
538 1 56 PRO HG2 1 57 GLY QA 3.150 . 4.500 4.459 3.769 4.629 0.129 1 0 "[ . 1]" 1
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