NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
490921 |
2x43   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2x43
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 387
_Distance_constraint_stats_list.Viol_count 510
_Distance_constraint_stats_list.Viol_total 334.919
_Distance_constraint_stats_list.Viol_max 0.786
_Distance_constraint_stats_list.Viol_rms 0.0324
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0657
_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 3.517 0.327 8 0 "[ . 1]"
1 2 ASP 0.585 0.132 10 0 "[ . 1]"
1 3 GLN 0.924 0.786 1 1 "[+ . 1]"
1 4 GLU 4.147 0.327 8 0 "[ . 1]"
1 5 THR 0.097 0.097 9 0 "[ . 1]"
1 6 ARG 3.251 0.220 3 0 "[ . 1]"
1 7 ASP 1.406 0.168 7 0 "[ . 1]"
1 8 GLN 0.143 0.043 10 0 "[ . 1]"
1 9 MET 0.000 0.000 . 0 "[ . 1]"
1 10 LYS 0.042 0.041 3 0 "[ . 1]"
1 11 ASN 0.134 0.043 10 0 "[ . 1]"
1 12 ALA 0.808 0.059 8 0 "[ . 1]"
1 13 ALA 0.686 0.059 8 0 "[ . 1]"
1 14 ALA 0.000 0.000 . 0 "[ . 1]"
1 15 GLU 0.157 0.055 10 0 "[ . 1]"
1 16 ALA 0.439 0.068 6 0 "[ . 1]"
1 17 LYS 1.499 0.132 9 0 "[ . 1]"
1 18 ASP 0.000 0.000 . 0 "[ . 1]"
1 19 ASN 0.000 0.000 . 0 "[ . 1]"
1 20 VAL 0.000 0.000 . 0 "[ . 1]"
1 21 HIS 1.117 0.119 10 0 "[ . 1]"
1 22 ASP 1.841 0.119 10 0 "[ . 1]"
1 23 LYS 0.013 0.013 10 0 "[ . 1]"
1 24 ILE 0.756 0.090 3 0 "[ . 1]"
1 25 GLN 2.030 0.132 9 0 "[ . 1]"
1 26 GLU 0.825 0.478 6 0 "[ . 1]"
1 27 LEU 1.674 0.094 8 0 "[ . 1]"
1 28 LYS 0.609 0.074 6 0 "[ . 1]"
1 29 ASP 0.010 0.007 8 0 "[ . 1]"
1 30 ASP 0.000 0.000 . 0 "[ . 1]"
1 31 VAL 0.924 0.194 5 0 "[ . 1]"
1 32 GLY 0.977 0.194 5 0 "[ . 1]"
1 33 ASN 0.000 0.000 . 0 "[ . 1]"
1 34 LYS 2.111 0.237 6 0 "[ . 1]"
1 35 ALA 0.183 0.043 8 0 "[ . 1]"
1 36 ALA 0.645 0.122 6 0 "[ . 1]"
1 37 GLU 0.266 0.055 10 0 "[ . 1]"
1 38 VAL 0.547 0.180 10 0 "[ . 1]"
1 39 ARG 1.422 0.296 6 0 "[ . 1]"
1 40 ASP 0.666 0.130 10 0 "[ . 1]"
1 41 ALA 0.065 0.039 3 0 "[ . 1]"
1 42 VAL 0.835 0.098 6 0 "[ . 1]"
1 43 SER 0.930 0.098 6 0 "[ . 1]"
1 44 SER 0.048 0.039 3 0 "[ . 1]"
1 45 THR 0.000 0.000 . 0 "[ . 1]"
1 46 VAL 0.000 0.000 . 0 "[ . 1]"
1 47 GLU 3.530 0.138 1 0 "[ . 1]"
1 48 SER 0.985 0.132 8 0 "[ . 1]"
1 49 ILE 0.931 0.126 3 0 "[ . 1]"
1 50 LYS 4.650 0.173 1 0 "[ . 1]"
1 51 ASP 0.917 0.173 1 0 "[ . 1]"
1 52 LYS 0.645 0.142 1 0 "[ . 1]"
1 53 LEU 1.739 0.137 2 0 "[ . 1]"
1 54 SER 2.090 0.137 2 0 "[ . 1]"
1 55 GLY 0.030 0.013 10 0 "[ . 1]"
1 56 GLY 0.000 0.000 . 0 "[ . 1]"
1 57 SER 0.125 0.032 7 0 "[ . 1]"
1 59 SER 1.369 0.786 1 1 "[+ . 1]"
1 60 ARG 2.611 0.220 3 0 "[ . 1]"
1 61 ALA 0.446 0.097 10 0 "[ . 1]"
1 62 SER 0.000 0.000 . 0 "[ . 1]"
1 63 SER 0.147 0.067 3 0 "[ . 1]"
1 64 TYR 0.250 0.110 9 0 "[ . 1]"
1 65 THR 1.710 0.157 9 0 "[ . 1]"
1 66 LEU 3.448 0.143 10 0 "[ . 1]"
1 67 GLU 0.000 0.000 . 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 1 MET HA 1 1 MET QB 2.165 . 2.751 2.503 2.438 2.523 . 0 0 "[ . 1]" 1
2 1 1 MET HA 1 1 MET QG 2.485 . 3.257 2.428 2.255 2.931 . 0 0 "[ . 1]" 1
3 1 1 MET HA 1 4 GLU H 5.500 . 5.500 5.742 5.594 5.827 0.327 8 0 "[ . 1]" 1
4 1 1 MET QB 1 4 GLU QG 2.506 . 3.291 2.142 1.668 3.295 0.053 8 0 "[ . 1]" 1
5 1 1 MET QB 1 66 LEU QD 2.746 . 3.689 2.498 1.749 3.119 0.054 8 0 "[ . 1]" 1
6 1 1 MET QG 1 47 GLU QB 2.786 . 3.756 3.550 3.179 3.828 0.072 4 0 "[ . 1]" 1
7 1 1 MET QG 1 51 ASP QB 2.351 . 3.042 2.555 2.390 2.706 . 0 0 "[ . 1]" 1
8 1 1 MET QG 1 52 LYS QB 1.785 . 2.183 2.165 1.949 2.325 0.142 1 0 "[ . 1]" 1
9 1 1 MET QG 1 66 LEU HG 3.135 . 4.363 3.863 2.844 4.471 0.108 1 0 "[ . 1]" 1
10 1 2 ASP HA 1 2 ASP QB 2.280 . 2.930 2.380 2.333 2.488 . 0 0 "[ . 1]" 1
11 1 2 ASP HA 1 3 GLN H 2.785 . 3.755 3.338 3.060 3.404 . 0 0 "[ . 1]" 1
12 1 2 ASP HA 1 5 THR H 5.500 . 5.500 4.987 4.453 5.299 . 0 0 "[ . 1]" 1
13 1 2 ASP QB 1 4 GLU H 3.024 . 4.167 3.195 2.970 3.580 . 0 0 "[ . 1]" 1
14 1 2 ASP QB 1 51 ASP QB 2.767 . 3.724 2.153 1.803 3.856 0.132 10 0 "[ . 1]" 1
15 1 2 ASP QB 1 61 ALA HA 2.990 . 4.107 4.152 4.121 4.204 0.097 10 0 "[ . 1]" 1
16 1 3 GLN H 1 3 GLN HB2 3.154 . 4.398 2.998 2.378 3.636 . 0 0 "[ . 1]" 1
17 1 3 GLN H 1 3 GLN HB3 3.183 . 4.450 2.604 2.419 2.809 . 0 0 "[ . 1]" 1
18 1 3 GLN H 1 3 GLN QG 3.534 . 5.095 3.241 2.006 4.060 . 0 0 "[ . 1]" 1
19 1 3 GLN HA 1 3 GLN HB2 2.213 . 2.825 2.448 2.375 2.511 . 0 0 "[ . 1]" 1
20 1 3 GLN HA 1 3 GLN HB3 2.328 . 3.006 2.795 2.427 3.021 0.015 8 0 "[ . 1]" 1
21 1 3 GLN HA 1 4 GLU H 3.021 . 4.162 3.397 3.359 3.569 . 0 0 "[ . 1]" 1
22 1 3 GLN HA 1 6 ARG H 5.500 . 5.500 3.881 3.343 4.093 . 0 0 "[ . 1]" 1
23 1 3 GLN HA 1 6 ARG QD 2.621 . 3.480 3.022 2.304 3.512 0.032 3 0 "[ . 1]" 1
24 1 3 GLN HA 1 6 ARG QG 2.568 . 3.393 2.910 2.530 3.399 0.006 2 0 "[ . 1]" 1
25 1 3 GLN HA 1 60 ARG QB 2.269 . 2.912 1.803 1.632 2.153 . 0 0 "[ . 1]" 1
26 1 3 GLN HA 1 60 ARG QG 2.947 . 4.033 3.453 2.518 3.969 . 0 0 "[ . 1]" 1
27 1 3 GLN HB2 1 3 GLN QG 1.952 . 2.428 2.330 2.138 2.374 . 0 0 "[ . 1]" 1
28 1 3 GLN HB3 1 3 GLN QG 1.924 . 2.387 2.340 2.308 2.449 0.062 4 0 "[ . 1]" 1
29 1 3 GLN HB3 1 59 SER QB 2.605 . 3.453 2.765 1.770 4.239 0.786 1 1 "[+ . 1]" 1
30 1 4 GLU H 1 4 GLU HA 2.434 . 3.175 2.831 2.809 2.854 . 0 0 "[ . 1]" 1
31 1 4 GLU H 1 5 THR H 2.338 . 3.021 2.618 2.569 2.678 . 0 0 "[ . 1]" 1
32 1 4 GLU HA 1 4 GLU HB2 2.177 . 2.769 2.373 2.326 2.419 . 0 0 "[ . 1]" 1
33 1 4 GLU HA 1 7 ASP H 5.500 . 5.500 3.685 3.550 3.843 . 0 0 "[ . 1]" 1
34 1 4 GLU HA 1 7 ASP QB 2.621 . 3.480 3.340 3.216 3.484 0.004 10 0 "[ . 1]" 1
35 1 4 GLU HB2 1 8 GLN QG 2.171 . 2.760 2.203 1.912 2.692 . 0 0 "[ . 1]" 1
36 1 4 GLU HB3 1 4 GLU QG 3.040 . 4.195 2.177 2.155 2.270 . 0 0 "[ . 1]" 1
37 1 4 GLU HB3 1 50 LYS QD 1.838 . 2.260 2.312 2.266 2.344 0.084 5 0 "[ . 1]" 1
38 1 4 GLU HB3 1 51 ASP QB 2.045 . 2.568 2.206 1.853 2.396 . 0 0 "[ . 1]" 1
39 1 4 GLU QG 1 47 GLU HA 2.390 . 3.104 3.016 2.813 3.166 0.062 3 0 "[ . 1]" 1
40 1 4 GLU QG 1 47 GLU QG 2.273 . 2.919 3.021 2.973 3.054 0.135 2 0 "[ . 1]" 1
41 1 4 GLU QG 1 50 LYS QD 3.245 . 4.561 2.830 2.407 3.044 . 0 0 "[ . 1]" 1
42 1 4 GLU QG 1 51 ASP QB 1.950 . 2.425 2.266 1.991 2.449 0.024 7 0 "[ . 1]" 1
43 1 4 GLU QG 1 66 LEU QD 3.188 . 4.459 2.507 2.139 2.818 . 0 0 "[ . 1]" 1
44 1 5 THR HA 1 5 THR HB 2.488 . 3.262 2.916 2.300 3.030 . 0 0 "[ . 1]" 1
45 1 5 THR HB 1 60 ARG QG 3.023 . 4.165 2.879 2.199 4.262 0.097 9 0 "[ . 1]" 1
46 1 6 ARG H 1 6 ARG QB 2.308 . 2.974 2.627 2.527 2.740 . 0 0 "[ . 1]" 1
47 1 6 ARG H 1 6 ARG QD 3.487 . 5.007 3.625 3.406 3.800 . 0 0 "[ . 1]" 1
48 1 6 ARG H 1 7 ASP H 2.481 . 3.250 3.390 3.364 3.418 0.168 7 0 "[ . 1]" 1
49 1 6 ARG H 1 60 ARG QG 2.600 . 3.445 2.273 1.780 3.098 . 0 0 "[ . 1]" 1
50 1 6 ARG HA 1 6 ARG QB 2.454 . 3.207 2.223 2.159 2.321 . 0 0 "[ . 1]" 1
51 1 6 ARG HA 1 7 ASP H 3.005 . 4.134 3.644 3.624 3.666 . 0 0 "[ . 1]" 1
52 1 6 ARG HA 1 9 MET H 5.500 . 5.500 5.246 5.046 5.346 . 0 0 "[ . 1]" 1
53 1 6 ARG QB 1 7 ASP H 2.514 . 3.304 2.626 2.051 3.068 . 0 0 "[ . 1]" 1
54 1 6 ARG QB 1 7 ASP QB 3.244 . 4.560 3.891 3.400 4.282 . 0 0 "[ . 1]" 1
55 1 6 ARG QD 1 60 ARG H 3.551 . 5.127 3.810 3.113 4.363 . 0 0 "[ . 1]" 1
56 1 6 ARG QD 1 60 ARG HA 2.535 . 3.338 3.495 3.427 3.558 0.220 3 0 "[ . 1]" 1
57 1 6 ARG QD 1 60 ARG QB 2.477 . 3.244 1.765 1.675 2.005 0.035 3 0 "[ . 1]" 1
58 1 6 ARG QD 1 60 ARG QG 2.028 . 2.542 2.455 1.964 2.578 0.036 9 0 "[ . 1]" 1
59 1 7 ASP H 1 7 ASP HA 2.602 . 3.449 2.807 2.788 2.831 . 0 0 "[ . 1]" 1
60 1 7 ASP H 1 7 ASP QB 2.387 . 3.099 2.040 1.932 2.225 . 0 0 "[ . 1]" 1
61 1 7 ASP H 1 8 GLN H 2.514 . 3.304 2.788 2.678 2.843 . 0 0 "[ . 1]" 1
62 1 7 ASP HA 1 7 ASP QB 2.113 . 2.671 2.425 2.198 2.518 . 0 0 "[ . 1]" 1
63 1 7 ASP HA 1 10 LYS H 5.500 . 5.500 4.670 4.458 4.774 . 0 0 "[ . 1]" 1
64 1 7 ASP QB 1 8 GLN H 2.659 . 3.543 2.574 2.499 2.763 . 0 0 "[ . 1]" 1
65 1 8 GLN H 1 8 GLN QB 2.273 . 2.919 2.504 2.317 2.569 . 0 0 "[ . 1]" 1
66 1 8 GLN H 1 9 MET H 2.334 . 3.015 2.689 2.635 2.748 . 0 0 "[ . 1]" 1
67 1 8 GLN HA 1 8 GLN QB 2.268 . 2.911 2.340 2.305 2.440 . 0 0 "[ . 1]" 1
68 1 8 GLN HA 1 8 GLN QG 2.339 . 3.023 2.908 2.457 3.014 . 0 0 "[ . 1]" 1
69 1 8 GLN HA 1 11 ASN H 2.805 . 3.788 3.560 3.507 3.658 . 0 0 "[ . 1]" 1
70 1 8 GLN HA 1 11 ASN QB 2.287 . 2.941 2.943 2.863 2.984 0.043 10 0 "[ . 1]" 1
71 1 8 GLN QB 1 8 GLN QG 2.116 . 2.676 1.999 1.982 2.009 . 0 0 "[ . 1]" 1
72 1 8 GLN QB 1 9 MET H 2.215 . 2.828 2.207 2.130 2.374 . 0 0 "[ . 1]" 1
73 1 8 GLN QB 1 11 ASN H 3.468 . 4.971 4.891 4.838 4.940 . 0 0 "[ . 1]" 1
74 1 8 GLN QB 1 12 ALA H 3.544 . 5.114 3.965 3.905 4.143 . 0 0 "[ . 1]" 1
75 1 8 GLN QB 1 12 ALA MB 2.902 . 3.955 2.867 2.744 3.105 . 0 0 "[ . 1]" 1
76 1 8 GLN QB 1 47 GLU QG 2.102 . 2.654 1.994 1.924 2.072 . 0 0 "[ . 1]" 1
77 1 8 GLN QG 1 12 ALA MB 3.239 . 4.550 4.340 3.322 4.559 0.009 10 0 "[ . 1]" 1
78 1 8 GLN QG 1 47 GLU HA 3.037 . 4.190 3.749 3.435 4.080 . 0 0 "[ . 1]" 1
79 1 8 GLN QG 1 47 GLU QG 2.336 . 3.018 2.192 1.859 2.632 . 0 0 "[ . 1]" 1
80 1 9 MET H 1 9 MET HB2 2.416 . 3.146 2.386 2.246 2.470 . 0 0 "[ . 1]" 1
81 1 9 MET H 1 9 MET HB3 2.492 . 3.268 2.803 2.710 2.944 . 0 0 "[ . 1]" 1
82 1 10 LYS HA 1 10 LYS QG 2.289 . 2.944 2.500 2.110 2.929 . 0 0 "[ . 1]" 1
83 1 10 LYS HA 1 11 ASN H 2.943 . 4.026 3.556 3.547 3.564 . 0 0 "[ . 1]" 1
84 1 10 LYS HA 1 13 ALA H 5.500 . 5.500 4.602 4.473 4.721 . 0 0 "[ . 1]" 1
85 1 10 LYS QB 1 10 LYS QE 2.426 . 3.162 2.170 1.795 3.203 0.041 3 0 "[ . 1]" 1
86 1 10 LYS QB 1 11 ASN H 2.415 . 3.144 2.583 2.484 2.685 . 0 0 "[ . 1]" 1
87 1 10 LYS HD2 1 10 LYS QE 2.255 . 2.891 2.319 2.171 2.384 . 0 0 "[ . 1]" 1
88 1 10 LYS HD2 1 10 LYS QG 1.992 . 2.488 2.293 2.175 2.488 0.000 3 0 "[ . 1]" 1
89 1 10 LYS HD3 1 10 LYS QG 2.228 . 2.848 2.269 2.148 2.378 . 0 0 "[ . 1]" 1
90 1 10 LYS QE 1 10 LYS QG 2.392 . 3.107 2.459 2.257 2.760 . 0 0 "[ . 1]" 1
91 1 11 ASN H 1 11 ASN HA 2.625 . 3.486 2.888 2.875 2.896 . 0 0 "[ . 1]" 1
92 1 11 ASN H 1 11 ASN QB 2.166 . 2.752 2.289 2.242 2.305 . 0 0 "[ . 1]" 1
93 1 11 ASN HA 1 12 ALA H 3.113 . 4.324 3.592 3.590 3.597 . 0 0 "[ . 1]" 1
94 1 11 ASN HA 1 14 ALA H 3.055 . 4.222 3.590 3.554 3.629 . 0 0 "[ . 1]" 1
95 1 11 ASN HA 1 14 ALA MB 2.174 . 2.765 2.342 2.263 2.426 . 0 0 "[ . 1]" 1
96 1 11 ASN QB 1 12 ALA H 2.358 . 3.053 2.138 2.097 2.172 . 0 0 "[ . 1]" 1
97 1 11 ASN QB 1 13 ALA H 3.509 . 5.048 4.713 4.645 4.758 . 0 0 "[ . 1]" 1
98 1 12 ALA H 1 12 ALA MB 2.016 . 2.524 2.245 2.237 2.250 . 0 0 "[ . 1]" 1
99 1 12 ALA H 1 13 ALA H 2.315 . 2.985 3.030 3.015 3.044 0.059 8 0 "[ . 1]" 1
100 1 12 ALA HA 1 12 ALA MB 1.780 . 2.176 2.130 2.130 2.133 . 0 0 "[ . 1]" 1
101 1 12 ALA HA 1 13 ALA H 2.655 . 3.536 3.559 3.556 3.565 0.029 10 0 "[ . 1]" 1
102 1 12 ALA HA 1 15 GLU QB 2.384 . 3.095 3.089 3.001 3.150 0.055 10 0 "[ . 1]" 1
103 1 12 ALA HA 1 15 GLU HG3 3.207 . 4.493 4.127 2.777 4.311 . 0 0 "[ . 1]" 1
104 1 13 ALA H 1 13 ALA HA 2.338 . 3.022 2.784 2.776 2.794 . 0 0 "[ . 1]" 1
105 1 13 ALA H 1 14 ALA H 2.419 . 3.151 2.899 2.889 2.908 . 0 0 "[ . 1]" 1
106 1 13 ALA H 1 15 GLU H 3.354 . 4.760 4.484 4.367 4.533 . 0 0 "[ . 1]" 1
107 1 14 ALA H 1 14 ALA HA 2.308 . 2.974 2.647 2.642 2.666 . 0 0 "[ . 1]" 1
108 1 14 ALA HA 1 14 ALA MB 1.847 . 2.274 2.119 2.118 2.120 . 0 0 "[ . 1]" 1
109 1 14 ALA HA 1 17 LYS QB 2.400 . 3.120 2.987 2.809 3.104 . 0 0 "[ . 1]" 1
110 1 14 ALA MB 1 15 GLU H 2.323 . 2.997 2.332 2.288 2.453 . 0 0 "[ . 1]" 1
111 1 15 GLU HA 1 15 GLU QB 1.938 . 2.408 2.400 2.294 2.426 0.018 9 0 "[ . 1]" 1
112 1 15 GLU HA 1 18 ASP QB 2.355 . 3.048 2.583 2.514 2.754 . 0 0 "[ . 1]" 1
113 1 15 GLU QB 1 16 ALA H 2.452 . 3.204 3.189 3.150 3.202 . 0 0 "[ . 1]" 1
114 1 16 ALA H 1 16 ALA HA 2.533 . 3.335 2.928 2.927 2.930 . 0 0 "[ . 1]" 1
115 1 16 ALA H 1 16 ALA MB 2.086 . 2.630 2.346 2.326 2.355 . 0 0 "[ . 1]" 1
116 1 16 ALA H 1 17 LYS H 2.507 . 3.293 1.985 1.942 2.013 . 0 0 "[ . 1]" 1
117 1 16 ALA H 1 17 LYS QG 2.940 . 4.020 4.064 4.033 4.088 0.068 6 0 "[ . 1]" 1
118 1 16 ALA HA 1 16 ALA MB 1.855 . 2.285 2.134 2.131 2.136 . 0 0 "[ . 1]" 1
119 1 16 ALA HA 1 19 ASN H 5.500 . 5.500 3.468 3.390 3.522 . 0 0 "[ . 1]" 1
120 1 16 ALA HA 1 19 ASN QB 2.374 . 3.078 2.784 2.631 2.862 . 0 0 "[ . 1]" 1
121 1 16 ALA MB 1 39 ARG QD 2.332 . 3.012 1.954 1.800 2.512 . 0 0 "[ . 1]" 1
122 1 17 LYS H 1 17 LYS HA 2.496 . 3.275 2.874 2.870 2.879 . 0 0 "[ . 1]" 1
123 1 17 LYS HA 1 17 LYS QD 2.229 . 2.850 2.021 1.981 2.045 . 0 0 "[ . 1]" 1
124 1 17 LYS HA 1 20 VAL H 5.500 . 5.500 4.264 4.193 4.404 . 0 0 "[ . 1]" 1
125 1 17 LYS HA 1 21 HIS H 2.394 . 3.110 2.727 2.659 2.802 . 0 0 "[ . 1]" 1
126 1 17 LYS QD 1 25 GLN QG 3.171 . 4.428 4.534 4.494 4.560 0.132 9 0 "[ . 1]" 1
127 1 18 ASP H 1 18 ASP QB 2.286 . 2.939 2.303 2.279 2.346 . 0 0 "[ . 1]" 1
128 1 18 ASP QB 1 19 ASN H 2.683 . 3.583 2.977 2.952 2.999 . 0 0 "[ . 1]" 1
129 1 19 ASN HA 1 19 ASN QB 3.066 . 4.241 2.389 2.346 2.431 . 0 0 "[ . 1]" 1
130 1 19 ASN HA 1 22 ASP H 5.500 . 5.500 4.249 4.242 4.262 . 0 0 "[ . 1]" 1
131 1 20 VAL H 1 20 VAL HB 2.278 . 2.926 2.787 2.733 2.846 . 0 0 "[ . 1]" 1
132 1 20 VAL HA 1 20 VAL HB 2.425 . 3.160 2.991 2.979 3.004 . 0 0 "[ . 1]" 1
133 1 20 VAL HA 1 23 LYS QD 2.479 . 3.247 2.139 1.780 2.594 . 0 0 "[ . 1]" 1
134 1 20 VAL HA 1 23 LYS QG 2.227 . 2.847 2.435 2.333 2.543 . 0 0 "[ . 1]" 1
135 1 20 VAL HB 1 24 ILE MD 3.045 . 4.204 3.176 3.101 3.287 . 0 0 "[ . 1]" 1
136 1 20 VAL HB 1 36 ALA HA 2.229 . 2.850 1.995 1.852 2.089 . 0 0 "[ . 1]" 1
137 1 20 VAL HB 1 36 ALA MB 2.622 . 3.482 2.269 2.047 2.546 . 0 0 "[ . 1]" 1
138 1 21 HIS HA 1 21 HIS QB 2.057 . 2.586 2.478 2.462 2.501 . 0 0 "[ . 1]" 1
139 1 21 HIS HA 1 24 ILE H 5.500 . 5.500 2.989 2.953 3.051 . 0 0 "[ . 1]" 1
140 1 21 HIS HA 1 24 ILE HB 2.118 . 2.679 1.900 1.804 2.003 . 0 0 "[ . 1]" 1
141 1 21 HIS HA 1 24 ILE MD 2.367 . 3.067 2.354 2.205 2.528 . 0 0 "[ . 1]" 1
142 1 21 HIS HA 1 25 GLN QG 3.160 . 4.408 3.593 3.508 3.743 . 0 0 "[ . 1]" 1
143 1 21 HIS QB 1 22 ASP H 2.404 . 3.126 2.941 2.920 2.975 . 0 0 "[ . 1]" 1
144 1 21 HIS QB 1 22 ASP HA 3.252 . 4.574 3.908 3.868 3.954 . 0 0 "[ . 1]" 1
145 1 21 HIS QB 1 22 ASP HB2 3.185 . 4.453 4.565 4.556 4.572 0.119 10 0 "[ . 1]" 1
146 1 22 ASP HA 1 24 ILE H 3.636 . 5.289 4.479 4.394 4.588 . 0 0 "[ . 1]" 1
147 1 22 ASP HA 1 25 GLN H 5.500 . 5.500 4.234 4.153 4.325 . 0 0 "[ . 1]" 1
148 1 22 ASP HA 1 25 GLN QB 2.735 . 3.670 3.650 3.610 3.673 0.003 2 0 "[ . 1]" 1
149 1 22 ASP HA 1 25 GLN QG 2.443 . 3.189 3.261 3.252 3.271 0.082 7 0 "[ . 1]" 1
150 1 22 ASP HB3 1 23 LYS H 2.766 . 3.722 2.210 2.189 2.238 . 0 0 "[ . 1]" 1
151 1 23 LYS H 1 23 LYS HA 2.502 . 3.285 2.665 2.648 2.694 . 0 0 "[ . 1]" 1
152 1 23 LYS H 1 23 LYS QB 2.332 . 3.012 2.427 2.353 2.559 . 0 0 "[ . 1]" 1
153 1 23 LYS H 1 23 LYS QD 3.020 . 4.160 3.550 3.300 3.697 . 0 0 "[ . 1]" 1
154 1 23 LYS H 1 23 LYS QG 2.773 . 3.734 1.992 1.799 2.108 0.013 10 0 "[ . 1]" 1
155 1 23 LYS H 1 24 ILE H 2.510 . 3.297 3.061 2.985 3.112 . 0 0 "[ . 1]" 1
156 1 23 LYS HA 1 23 LYS QB 2.256 . 2.892 2.173 2.161 2.179 . 0 0 "[ . 1]" 1
157 1 23 LYS QB 1 23 LYS QD 2.337 . 3.020 2.168 2.086 2.248 . 0 0 "[ . 1]" 1
158 1 23 LYS QB 1 27 LEU QD 3.087 . 4.278 2.778 2.591 2.903 . 0 0 "[ . 1]" 1
159 1 23 LYS QE 1 27 LEU QD 3.105 . 4.310 3.612 3.376 3.990 . 0 0 "[ . 1]" 1
160 1 23 LYS QE 1 28 LYS QD 2.514 . 3.304 2.864 2.689 3.261 . 0 0 "[ . 1]" 1
161 1 23 LYS QG 1 24 ILE H 3.372 . 4.793 2.174 2.023 2.430 . 0 0 "[ . 1]" 1
162 1 23 LYS QG 1 24 ILE HA 3.242 . 4.556 3.679 3.283 4.525 . 0 0 "[ . 1]" 1
163 1 24 ILE H 1 24 ILE HA 2.666 . 3.554 2.781 2.774 2.787 . 0 0 "[ . 1]" 1
164 1 24 ILE H 1 24 ILE HB 2.247 . 2.878 2.364 2.323 2.387 . 0 0 "[ . 1]" 1
165 1 24 ILE H 1 25 GLN H 2.542 . 3.350 3.072 3.052 3.085 . 0 0 "[ . 1]" 1
166 1 24 ILE HA 1 24 ILE HB 2.422 . 3.155 3.005 2.999 3.010 . 0 0 "[ . 1]" 1
167 1 24 ILE HA 1 25 GLN H 3.199 . 4.478 3.597 3.591 3.602 . 0 0 "[ . 1]" 1
168 1 24 ILE HA 1 26 GLU H 3.642 . 5.300 4.650 4.602 4.693 . 0 0 "[ . 1]" 1
169 1 24 ILE HA 1 27 LEU HB2 2.537 . 3.341 3.412 3.392 3.431 0.090 3 0 "[ . 1]" 1
170 1 24 ILE HA 1 28 LYS H 3.460 . 4.956 2.005 1.979 2.050 . 0 0 "[ . 1]" 1
171 1 24 ILE HA 1 28 LYS QB 2.367 . 3.067 1.686 1.658 1.713 0.009 3 0 "[ . 1]" 1
172 1 24 ILE HB 1 24 ILE MD 1.873 . 2.311 2.306 2.276 2.329 0.018 9 0 "[ . 1]" 1
173 1 25 GLN H 1 25 GLN HA 2.606 . 3.455 2.663 2.662 2.666 . 0 0 "[ . 1]" 1
174 1 25 GLN H 1 25 GLN QG 2.457 . 3.212 2.129 2.099 2.156 . 0 0 "[ . 1]" 1
175 1 25 GLN H 1 26 GLU H 2.737 . 3.674 3.067 3.050 3.086 . 0 0 "[ . 1]" 1
176 1 25 GLN HA 1 25 GLN QB 2.058 . 2.588 2.340 2.334 2.353 . 0 0 "[ . 1]" 1
177 1 25 GLN HA 1 25 GLN QG 2.211 . 2.822 2.469 2.429 2.502 . 0 0 "[ . 1]" 1
178 1 25 GLN HA 1 26 GLU H 3.125 . 4.346 3.461 3.456 3.467 . 0 0 "[ . 1]" 1
179 1 25 GLN QB 1 25 GLN QG 1.684 . 2.038 2.062 2.029 2.073 0.035 9 0 "[ . 1]" 1
180 1 25 GLN QG 1 29 ASP QB 2.951 . 4.039 3.818 3.620 3.967 . 0 0 "[ . 1]" 1
181 1 26 GLU H 1 26 GLU HA 2.569 . 3.394 2.760 2.752 2.769 . 0 0 "[ . 1]" 1
182 1 26 GLU H 1 27 LEU H 2.573 . 3.401 3.155 3.139 3.176 . 0 0 "[ . 1]" 1
183 1 26 GLU H 1 28 LYS H 3.314 . 4.687 4.722 4.705 4.737 0.050 1 0 "[ . 1]" 1
184 1 26 GLU HA 1 26 GLU HG3 2.500 . 3.281 2.963 2.569 3.759 0.478 6 0 "[ . 1]" 1
185 1 26 GLU QB 1 27 LEU H 2.569 . 3.394 2.108 2.065 2.137 . 0 0 "[ . 1]" 1
186 1 26 GLU HG3 1 27 LEU QD 3.054 . 4.220 3.166 2.394 3.975 . 0 0 "[ . 1]" 1
187 1 27 LEU H 1 28 LYS QD 2.612 . 3.465 3.341 3.254 3.413 . 0 0 "[ . 1]" 1
188 1 27 LEU HA 1 27 LEU HB3 2.114 . 2.672 2.376 2.357 2.431 . 0 0 "[ . 1]" 1
189 1 27 LEU HA 1 27 LEU QD 2.355 . 3.048 2.318 2.190 3.058 0.010 6 0 "[ . 1]" 1
190 1 27 LEU HA 1 28 LYS H 2.776 . 3.739 3.539 3.535 3.546 . 0 0 "[ . 1]" 1
191 1 27 LEU HB2 1 27 LEU QD 1.674 . 2.024 2.100 2.046 2.118 0.094 8 0 "[ . 1]" 1
192 1 27 LEU HB3 1 27 LEU QD 2.049 . 2.574 2.126 2.115 2.139 . 0 0 "[ . 1]" 1
193 1 27 LEU QD 1 28 LYS QD 2.088 . 2.633 2.645 2.593 2.707 0.074 6 0 "[ . 1]" 1
194 1 28 LYS H 1 28 LYS HA 2.328 . 3.006 2.877 2.873 2.884 . 0 0 "[ . 1]" 1
195 1 28 LYS QB 1 32 GLY HA2 2.201 . 2.807 1.615 1.575 1.685 0.020 1 0 "[ . 1]" 1
196 1 28 LYS QG 1 32 GLY H 3.324 . 4.705 3.795 3.730 3.886 . 0 0 "[ . 1]" 1
197 1 28 LYS QG 1 32 GLY HA2 2.683 . 3.583 2.208 2.148 2.285 . 0 0 "[ . 1]" 1
198 1 29 ASP HA 1 29 ASP QB 1.906 . 2.360 2.279 2.168 2.367 0.007 8 0 "[ . 1]" 1
199 1 29 ASP HA 1 33 ASN QB 2.282 . 2.933 2.590 2.383 2.845 . 0 0 "[ . 1]" 1
200 1 30 ASP H 1 30 ASP QB 2.088 . 2.633 2.408 2.339 2.504 . 0 0 "[ . 1]" 1
201 1 30 ASP HA 1 30 ASP QB 2.196 . 2.799 2.356 2.327 2.376 . 0 0 "[ . 1]" 1
202 1 30 ASP QB 1 32 GLY H 3.389 . 4.825 4.172 4.138 4.199 . 0 0 "[ . 1]" 1
203 1 31 VAL H 1 32 GLY H 2.397 . 3.115 2.663 2.647 2.679 . 0 0 "[ . 1]" 1
204 1 31 VAL HB 1 32 GLY H 2.602 . 3.448 3.310 2.962 3.642 0.194 5 0 "[ . 1]" 1
205 1 32 GLY H 1 32 GLY HA2 2.125 . 2.689 2.339 2.334 2.345 . 0 0 "[ . 1]" 1
206 1 32 GLY H 1 33 ASN QB 3.509 . 5.048 4.542 4.435 4.668 . 0 0 "[ . 1]" 1
207 1 32 GLY HA2 1 33 ASN H 3.132 . 4.358 3.076 3.060 3.101 . 0 0 "[ . 1]" 1
208 1 33 ASN H 1 33 ASN HA 2.810 . 3.797 2.753 2.739 2.766 . 0 0 "[ . 1]" 1
209 1 33 ASN H 1 33 ASN QB 2.742 . 3.682 2.248 2.146 2.327 . 0 0 "[ . 1]" 1
210 1 33 ASN HA 1 33 ASN QB 1.972 . 2.458 2.311 2.167 2.445 . 0 0 "[ . 1]" 1
211 1 33 ASN HA 1 34 LYS H 3.315 . 4.689 3.325 3.302 3.389 . 0 0 "[ . 1]" 1
212 1 33 ASN HA 1 35 ALA H 3.240 . 4.552 4.046 3.778 4.355 . 0 0 "[ . 1]" 1
213 1 34 LYS H 1 35 ALA H 2.277 . 2.925 2.273 2.204 2.326 . 0 0 "[ . 1]" 1
214 1 34 LYS HA 1 34 LYS QB 1.921 . 2.382 2.432 2.312 2.508 0.126 2 0 "[ . 1]" 1
215 1 34 LYS HA 1 34 LYS QD 2.218 . 2.833 2.225 1.857 2.844 0.011 9 0 "[ . 1]" 1
216 1 34 LYS HA 1 34 LYS QG 2.180 . 2.774 2.627 2.278 3.011 0.237 6 0 "[ . 1]" 1
217 1 34 LYS HA 1 35 ALA H 2.796 . 3.773 3.461 3.402 3.507 . 0 0 "[ . 1]" 1
218 1 34 LYS HA 1 37 GLU H 2.988 . 4.104 3.330 2.991 3.650 . 0 0 "[ . 1]" 1
219 1 34 LYS HA 1 37 GLU QB 2.347 . 3.035 2.563 2.057 3.039 0.004 9 0 "[ . 1]" 1
220 1 34 LYS HA 1 37 GLU QG 2.767 . 3.724 2.956 2.651 3.399 . 0 0 "[ . 1]" 1
221 1 34 LYS QB 1 35 ALA H 2.509 . 3.296 2.836 2.612 3.052 . 0 0 "[ . 1]" 1
222 1 34 LYS QB 1 35 ALA HA 3.044 . 4.202 3.960 3.752 4.216 0.014 10 0 "[ . 1]" 1
223 1 34 LYS QD 1 37 GLU QB 2.744 . 3.685 1.987 1.748 2.836 0.055 10 0 "[ . 1]" 1
224 1 34 LYS QD 1 37 GLU QG 3.158 . 4.405 3.500 3.017 4.391 . 0 0 "[ . 1]" 1
225 1 34 LYS QD 1 38 VAL H 3.590 . 5.201 3.352 3.106 3.930 . 0 0 "[ . 1]" 1
226 1 34 LYS QD 1 38 VAL HA 3.077 . 4.261 4.051 3.694 4.441 0.180 10 0 "[ . 1]" 1
227 1 34 LYS QE 1 37 GLU QB 2.918 . 3.982 2.603 2.102 3.076 . 0 0 "[ . 1]" 1
228 1 34 LYS QE 1 41 ALA MB 3.116 . 4.330 4.090 3.474 4.345 0.015 7 0 "[ . 1]" 1
229 1 35 ALA H 1 35 ALA HA 2.395 . 3.112 2.741 2.672 2.822 . 0 0 "[ . 1]" 1
230 1 35 ALA H 1 35 ALA MB 2.021 . 2.531 2.226 2.205 2.244 . 0 0 "[ . 1]" 1
231 1 35 ALA H 1 36 ALA H 2.451 . 3.202 2.880 2.653 3.076 . 0 0 "[ . 1]" 1
232 1 35 ALA HA 1 35 ALA MB 1.831 . 2.250 2.121 2.107 2.126 . 0 0 "[ . 1]" 1
233 1 35 ALA HA 1 38 VAL H 5.500 . 5.500 3.543 3.425 3.755 . 0 0 "[ . 1]" 1
234 1 35 ALA HA 1 38 VAL HB 2.248 . 2.880 2.892 2.855 2.923 0.043 8 0 "[ . 1]" 1
235 1 36 ALA HA 1 39 ARG H 2.608 . 3.459 3.524 3.484 3.581 0.122 6 0 "[ . 1]" 1
236 1 37 GLU H 1 37 GLU QB 2.365 . 3.064 2.465 2.242 2.703 . 0 0 "[ . 1]" 1
237 1 37 GLU H 1 37 GLU QG 2.526 . 3.324 2.342 1.753 2.912 . 0 0 "[ . 1]" 1
238 1 37 GLU HA 1 40 ASP QB 2.345 . 3.033 2.839 2.090 3.085 0.052 2 0 "[ . 1]" 1
239 1 38 VAL HA 1 39 ARG H 3.005 . 4.134 3.552 3.530 3.572 . 0 0 "[ . 1]" 1
240 1 38 VAL HA 1 41 ALA H 2.781 . 3.747 3.159 3.102 3.223 . 0 0 "[ . 1]" 1
241 1 38 VAL HA 1 41 ALA MB 2.154 . 2.734 2.392 2.223 2.634 . 0 0 "[ . 1]" 1
242 1 38 VAL HB 1 39 ARG H 2.653 . 3.533 2.422 2.278 2.555 . 0 0 "[ . 1]" 1
243 1 39 ARG HB3 1 39 ARG QD 2.487 . 3.260 2.389 2.214 3.556 0.296 6 0 "[ . 1]" 1
244 1 39 ARG HB3 1 39 ARG QG 2.391 . 3.106 2.388 2.155 2.466 . 0 0 "[ . 1]" 1
245 1 39 ARG QD 1 39 ARG QG 2.134 . 2.703 2.076 1.986 2.091 . 0 0 "[ . 1]" 1
246 1 39 ARG QD 1 40 ASP H 3.536 . 5.099 3.597 3.460 3.793 . 0 0 "[ . 1]" 1
247 1 39 ARG QD 1 40 ASP HA 2.393 . 3.109 3.131 2.992 3.239 0.130 10 0 "[ . 1]" 1
248 1 39 ARG QD 1 40 ASP QB 2.998 . 4.122 3.947 3.836 4.176 0.054 10 0 "[ . 1]" 1
249 1 39 ARG QD 1 43 SER QB 2.903 . 3.956 3.472 2.931 3.988 0.032 7 0 "[ . 1]" 1
250 1 40 ASP H 1 41 ALA H 2.486 . 3.258 2.466 2.348 2.552 . 0 0 "[ . 1]" 1
251 1 40 ASP HA 1 43 SER H 5.500 . 5.500 3.634 3.457 3.965 . 0 0 "[ . 1]" 1
252 1 40 ASP HA 1 43 SER QB 2.305 . 2.969 2.637 2.398 2.999 0.030 10 0 "[ . 1]" 1
253 1 40 ASP QB 1 41 ALA H 2.423 . 3.157 2.977 2.903 3.019 . 0 0 "[ . 1]" 1
254 1 40 ASP QB 1 41 ALA HA 3.101 . 4.303 4.215 4.181 4.253 . 0 0 "[ . 1]" 1
255 1 41 ALA H 1 41 ALA HA 2.505 . 3.289 2.817 2.792 2.860 . 0 0 "[ . 1]" 1
256 1 41 ALA H 1 41 ALA MB 2.101 . 2.653 2.234 2.222 2.246 . 0 0 "[ . 1]" 1
257 1 41 ALA H 1 42 VAL H 2.359 . 3.055 2.813 2.678 2.859 . 0 0 "[ . 1]" 1
258 1 41 ALA HA 1 41 ALA MB 2.140 . 2.713 2.126 2.123 2.129 . 0 0 "[ . 1]" 1
259 1 41 ALA HA 1 42 VAL H 3.003 . 4.130 3.571 3.562 3.580 . 0 0 "[ . 1]" 1
260 1 41 ALA HA 1 44 SER H 5.500 . 5.500 3.855 3.745 4.055 . 0 0 "[ . 1]" 1
261 1 41 ALA HA 1 44 SER QB 2.396 . 3.113 3.006 2.842 3.152 0.039 3 0 "[ . 1]" 1
262 1 41 ALA MB 1 42 VAL H 2.453 . 3.205 2.232 2.181 2.354 . 0 0 "[ . 1]" 1
263 1 42 VAL H 1 42 VAL HA 2.519 . 3.312 2.796 2.755 2.823 . 0 0 "[ . 1]" 1
264 1 42 VAL HA 1 43 SER H 2.868 . 3.896 3.520 3.513 3.538 . 0 0 "[ . 1]" 1
265 1 42 VAL HA 1 44 SER H 3.511 . 5.052 4.673 4.593 4.846 . 0 0 "[ . 1]" 1
266 1 42 VAL HA 1 45 THR H 2.769 . 3.728 3.481 3.440 3.541 . 0 0 "[ . 1]" 1
267 1 42 VAL HB 1 43 SER H 2.473 . 3.237 3.321 3.305 3.335 0.098 6 0 "[ . 1]" 1
268 1 43 SER H 1 44 SER H 2.481 . 3.250 2.854 2.838 2.894 . 0 0 "[ . 1]" 1
269 1 43 SER HA 1 46 VAL H 5.500 . 5.500 3.524 3.450 3.597 . 0 0 "[ . 1]" 1
270 1 44 SER H 1 44 SER HA 2.344 . 3.031 2.728 2.720 2.745 . 0 0 "[ . 1]" 1
271 1 44 SER H 1 45 THR H 2.425 . 3.160 2.926 2.876 3.002 . 0 0 "[ . 1]" 1
272 1 44 SER HA 1 47 GLU QB 2.248 . 2.880 2.361 2.259 2.653 . 0 0 "[ . 1]" 1
273 1 44 SER QB 1 66 LEU QD 2.878 . 3.913 2.914 2.085 3.903 . 0 0 "[ . 1]" 1
274 1 45 THR H 1 46 VAL H 2.370 . 3.072 2.671 2.643 2.689 . 0 0 "[ . 1]" 1
275 1 46 VAL H 1 46 VAL HA 2.741 . 3.680 2.884 2.879 2.887 . 0 0 "[ . 1]" 1
276 1 46 VAL H 1 46 VAL HB 2.416 . 3.145 2.531 2.474 2.585 . 0 0 "[ . 1]" 1
277 1 46 VAL H 1 47 GLU H 2.609 . 3.460 2.705 2.665 2.728 . 0 0 "[ . 1]" 1
278 1 46 VAL HA 1 46 VAL HB 2.446 . 3.194 3.026 3.025 3.027 . 0 0 "[ . 1]" 1
279 1 46 VAL HA 1 49 ILE H 2.859 . 3.881 3.682 3.601 3.775 . 0 0 "[ . 1]" 1
280 1 46 VAL HA 1 49 ILE MD 2.403 . 3.125 2.269 2.093 2.354 . 0 0 "[ . 1]" 1
281 1 46 VAL HA 1 50 LYS H 3.241 . 4.554 4.251 4.192 4.336 . 0 0 "[ . 1]" 1
282 1 46 VAL HB 1 47 GLU H 2.292 . 2.949 2.003 1.960 2.038 . 0 0 "[ . 1]" 1
283 1 47 GLU H 1 48 SER H 2.560 . 3.379 2.998 2.961 3.013 . 0 0 "[ . 1]" 1
284 1 47 GLU HA 1 47 GLU QB 2.063 . 2.595 2.460 2.399 2.493 . 0 0 "[ . 1]" 1
285 1 47 GLU HA 1 50 LYS H 2.919 . 3.984 3.912 3.612 4.002 0.018 10 0 "[ . 1]" 1
286 1 47 GLU HA 1 50 LYS QD 2.333 . 3.013 2.321 1.827 2.450 . 0 0 "[ . 1]" 1
287 1 47 GLU HA 1 50 LYS QE 3.032 . 4.181 2.404 1.858 4.122 0.025 10 0 "[ . 1]" 1
288 1 47 GLU HA 1 50 LYS QG 3.140 . 4.373 1.870 1.813 1.958 0.094 4 0 "[ . 1]" 1
289 1 47 GLU HA 1 66 LEU QD 2.647 . 3.523 3.617 3.568 3.661 0.138 1 0 "[ . 1]" 1
290 1 47 GLU QB 1 48 SER H 2.436 . 3.178 3.113 3.034 3.189 0.011 3 0 "[ . 1]" 1
291 1 47 GLU QB 1 66 LEU QD 2.751 . 3.697 1.733 1.712 1.800 0.093 9 0 "[ . 1]" 1
292 1 48 SER H 1 48 SER HA 2.482 . 3.252 2.907 2.899 2.913 . 0 0 "[ . 1]" 1
293 1 48 SER H 1 48 SER QB 2.244 . 2.873 2.405 2.337 2.506 . 0 0 "[ . 1]" 1
294 1 48 SER H 1 49 ILE H 2.470 . 3.233 2.543 2.533 2.563 . 0 0 "[ . 1]" 1
295 1 48 SER H 1 50 LYS QB 3.421 . 4.884 4.930 4.460 5.016 0.132 8 0 "[ . 1]" 1
296 1 48 SER H 1 66 LEU QD 3.623 . 5.264 2.965 2.755 3.678 . 0 0 "[ . 1]" 1
297 1 48 SER HA 1 48 SER QB 1.991 . 2.487 2.377 2.350 2.422 . 0 0 "[ . 1]" 1
298 1 48 SER HA 1 50 LYS H 3.431 . 4.902 3.921 3.859 3.991 . 0 0 "[ . 1]" 1
299 1 48 SER HA 1 52 LYS QB 2.569 . 3.394 3.071 2.704 3.301 . 0 0 "[ . 1]" 1
300 1 48 SER QB 1 49 ILE H 2.553 . 3.368 2.187 2.160 2.222 . 0 0 "[ . 1]" 1
301 1 48 SER QB 1 50 LYS H 3.552 . 5.129 4.224 4.188 4.267 . 0 0 "[ . 1]" 1
302 1 48 SER QB 1 53 LEU QD 3.139 . 4.371 4.004 3.462 4.447 0.076 10 0 "[ . 1]" 1
303 1 48 SER QB 1 66 LEU QD 2.605 . 3.454 2.830 1.935 3.458 0.004 10 0 "[ . 1]" 1
304 1 49 ILE H 1 49 ILE HA 2.617 . 3.473 2.800 2.790 2.814 . 0 0 "[ . 1]" 1
305 1 49 ILE H 1 50 LYS H 2.435 . 3.176 2.691 2.661 2.710 . 0 0 "[ . 1]" 1
306 1 49 ILE HA 1 49 ILE HB 2.254 . 2.889 2.551 2.541 2.570 . 0 0 "[ . 1]" 1
307 1 49 ILE HA 1 53 LEU HB2 2.443 . 3.189 1.795 1.709 1.871 . 0 0 "[ . 1]" 1
308 1 49 ILE HA 1 53 LEU QD 2.181 . 2.776 2.232 2.019 2.753 . 0 0 "[ . 1]" 1
309 1 49 ILE MD 1 50 LYS H 2.579 . 3.411 2.108 2.046 2.231 . 0 0 "[ . 1]" 1
310 1 49 ILE MD 1 50 LYS HA 2.277 . 2.925 2.770 2.665 2.839 . 0 0 "[ . 1]" 1
311 1 49 ILE MD 1 50 LYS QB 2.756 . 3.705 2.312 2.233 2.444 . 0 0 "[ . 1]" 1
312 1 49 ILE MD 1 50 LYS QD 3.199 . 4.478 4.571 4.511 4.604 0.126 3 0 "[ . 1]" 1
313 1 50 LYS H 1 50 LYS HA 2.499 . 3.280 2.866 2.850 2.873 . 0 0 "[ . 1]" 1
314 1 50 LYS H 1 50 LYS QB 2.199 . 2.803 2.622 2.330 2.670 . 0 0 "[ . 1]" 1
315 1 50 LYS H 1 50 LYS QE 3.275 . 4.616 4.455 4.193 4.705 0.089 1 0 "[ . 1]" 1
316 1 50 LYS H 1 50 LYS QG 2.881 . 3.918 2.232 2.016 2.592 . 0 0 "[ . 1]" 1
317 1 50 LYS H 1 51 ASP H 2.424 . 3.159 2.796 2.768 2.833 . 0 0 "[ . 1]" 1
318 1 50 LYS HA 1 53 LEU H 5.500 . 5.500 4.664 4.557 4.790 . 0 0 "[ . 1]" 1
319 1 50 LYS QB 1 50 LYS QD 2.168 . 2.755 2.138 1.992 2.463 . 0 0 "[ . 1]" 1
320 1 50 LYS QB 1 50 LYS QE 2.805 . 3.789 2.660 1.838 3.158 . 0 0 "[ . 1]" 1
321 1 50 LYS QD 1 50 LYS QE 2.208 . 2.818 2.047 2.012 2.094 . 0 0 "[ . 1]" 1
322 1 50 LYS QD 1 50 LYS QG 1.802 . 2.208 2.014 1.974 2.026 . 0 0 "[ . 1]" 1
323 1 50 LYS QD 1 51 ASP H 2.915 . 3.977 3.042 2.201 3.479 . 0 0 "[ . 1]" 1
324 1 50 LYS QD 1 51 ASP QB 2.342 . 3.027 3.027 2.335 3.200 0.173 1 0 "[ . 1]" 1
325 1 50 LYS QE 1 50 LYS QG 2.714 . 3.635 2.251 2.146 2.405 . 0 0 "[ . 1]" 1
326 1 50 LYS QG 1 66 LEU QD 2.913 . 3.973 4.066 3.988 4.116 0.143 10 0 "[ . 1]" 1
327 1 51 ASP HA 1 51 ASP QB 2.054 . 2.581 2.506 2.427 2.530 . 0 0 "[ . 1]" 1
328 1 51 ASP HA 1 54 SER QB 3.210 . 4.498 1.946 1.891 1.997 0.031 1 0 "[ . 1]" 1
329 1 51 ASP QB 1 52 LYS H 2.710 . 3.628 2.827 2.750 2.907 . 0 0 "[ . 1]" 1
330 1 52 LYS HA 1 52 LYS QD 3.170 . 4.426 3.805 3.172 4.238 . 0 0 "[ . 1]" 1
331 1 52 LYS HA 1 52 LYS QG 3.158 . 4.405 2.384 2.251 2.524 . 0 0 "[ . 1]" 1
332 1 52 LYS QB 1 52 LYS QE 2.198 . 2.802 2.067 1.948 2.234 . 0 0 "[ . 1]" 1
333 1 52 LYS QB 1 53 LEU QD 3.005 . 4.134 2.955 2.661 3.575 . 0 0 "[ . 1]" 1
334 1 52 LYS QG 1 57 SER QB 2.830 . 3.831 3.820 3.687 3.863 0.032 7 0 "[ . 1]" 1
335 1 53 LEU H 1 53 LEU HB2 2.107 . 2.662 2.129 2.078 2.175 . 0 0 "[ . 1]" 1
336 1 53 LEU HA 1 53 LEU HB3 2.247 . 2.878 2.753 2.707 2.861 . 0 0 "[ . 1]" 1
337 1 53 LEU HA 1 53 LEU QD 1.904 . 2.357 1.811 1.778 1.825 . 0 0 "[ . 1]" 1
338 1 53 LEU HA 1 54 SER H 2.632 . 3.498 3.285 3.272 3.297 . 0 0 "[ . 1]" 1
339 1 53 LEU HB2 1 53 LEU QD 1.921 . 2.382 2.320 2.281 2.345 . 0 0 "[ . 1]" 1
340 1 53 LEU HB2 1 54 SER H 3.336 . 4.727 3.465 3.373 3.666 . 0 0 "[ . 1]" 1
341 1 53 LEU HB3 1 53 LEU QD 2.111 . 2.668 2.286 2.269 2.306 . 0 0 "[ . 1]" 1
342 1 53 LEU HB3 1 54 SER H 2.745 . 3.687 3.723 3.620 3.772 0.085 3 0 "[ . 1]" 1
343 1 53 LEU HB3 1 54 SER HA 3.072 . 4.252 4.269 4.179 4.321 0.069 3 0 "[ . 1]" 1
344 1 53 LEU QD 1 54 SER H 2.855 . 3.874 3.964 3.935 4.011 0.137 2 0 "[ . 1]" 1
345 1 54 SER H 1 54 SER HA 2.246 . 2.876 2.665 2.646 2.689 . 0 0 "[ . 1]" 1
346 1 54 SER H 1 54 SER QB 2.180 . 2.774 2.268 2.226 2.285 . 0 0 "[ . 1]" 1
347 1 54 SER HA 1 54 SER QB 1.867 . 2.303 2.314 2.183 2.356 0.053 7 0 "[ . 1]" 1
348 1 54 SER HA 1 55 GLY H 2.657 . 3.540 3.532 3.497 3.553 0.013 10 0 "[ . 1]" 1
349 1 56 GLY QA 1 57 SER H 3.335 . 4.725 2.382 2.110 2.602 . 0 0 "[ . 1]" 1
350 1 59 SER HA 1 60 ARG H 2.609 . 3.460 3.353 2.149 3.522 0.062 9 0 "[ . 1]" 1
351 1 59 SER QB 1 60 ARG H 2.897 . 3.946 1.955 1.779 3.231 0.069 7 0 "[ . 1]" 1
352 1 60 ARG H 1 60 ARG QB 2.473 . 3.237 2.368 2.173 3.014 . 0 0 "[ . 1]" 1
353 1 60 ARG HA 1 60 ARG QB 2.355 . 3.049 2.399 2.324 2.520 . 0 0 "[ . 1]" 1
354 1 60 ARG HA 1 60 ARG QG 2.261 . 2.900 2.765 2.350 2.948 0.048 7 0 "[ . 1]" 1
355 1 60 ARG QB 1 60 ARG QG 1.830 . 2.249 1.996 1.978 2.003 . 0 0 "[ . 1]" 1
356 1 61 ALA H 1 61 ALA MB 2.256 . 2.892 2.234 2.219 2.254 . 0 0 "[ . 1]" 1
357 1 61 ALA H 1 62 SER H 2.890 . 3.934 2.699 2.556 2.844 . 0 0 "[ . 1]" 1
358 1 61 ALA HA 1 61 ALA MB 1.903 . 2.356 2.126 2.125 2.129 . 0 0 "[ . 1]" 1
359 1 61 ALA MB 1 62 SER H 2.697 . 3.606 3.104 2.792 3.456 . 0 0 "[ . 1]" 1
360 1 62 SER H 1 62 SER HA 2.718 . 3.642 2.850 2.780 2.906 . 0 0 "[ . 1]" 1
361 1 62 SER H 1 62 SER QB 2.536 . 3.340 2.406 2.258 2.685 . 0 0 "[ . 1]" 1
362 1 62 SER HA 1 62 SER QB 1.943 . 2.415 2.324 2.188 2.371 . 0 0 "[ . 1]" 1
363 1 63 SER H 1 63 SER QB 2.692 . 3.598 2.684 2.259 3.331 . 0 0 "[ . 1]" 1
364 1 63 SER HA 1 63 SER QB 1.987 . 2.481 2.274 2.184 2.380 . 0 0 "[ . 1]" 1
365 1 63 SER HA 1 64 TYR H 2.395 . 3.112 2.280 2.124 2.627 . 0 0 "[ . 1]" 1
366 1 63 SER HA 1 65 THR MG 3.166 . 4.419 4.338 3.765 4.486 0.067 3 0 "[ . 1]" 1
367 1 63 SER QB 1 64 TYR H 2.795 . 3.772 3.218 1.996 3.783 0.011 4 0 "[ . 1]" 1
368 1 64 TYR H 1 64 TYR HA 2.712 . 3.631 2.847 2.276 2.947 . 0 0 "[ . 1]" 1
369 1 64 TYR H 1 64 TYR QB 2.282 . 2.933 2.697 2.440 2.939 0.006 2 0 "[ . 1]" 1
370 1 64 TYR HA 1 64 TYR QB 2.121 . 2.683 2.349 2.184 2.455 . 0 0 "[ . 1]" 1
371 1 64 TYR HA 1 65 THR H 2.321 . 2.994 2.338 2.150 3.002 0.008 10 0 "[ . 1]" 1
372 1 64 TYR QB 1 65 THR HA 3.143 . 4.378 4.300 4.095 4.488 0.110 9 0 "[ . 1]" 1
373 1 64 TYR QB 1 65 THR MG 3.239 . 4.550 4.170 3.294 4.449 . 0 0 "[ . 1]" 1
374 1 65 THR H 1 65 THR HA 2.421 . 3.154 2.938 2.919 2.950 . 0 0 "[ . 1]" 1
375 1 65 THR H 1 66 LEU H 3.117 . 4.332 2.532 2.138 4.323 . 0 0 "[ . 1]" 1
376 1 65 THR HA 1 65 THR HB 1.899 . 2.350 2.431 2.400 2.507 0.157 9 0 "[ . 1]" 1
377 1 65 THR HA 1 65 THR MG 2.140 . 2.713 2.384 2.309 2.451 . 0 0 "[ . 1]" 1
378 1 65 THR HB 1 65 THR MG 2.011 . 2.516 2.130 2.118 2.133 . 0 0 "[ . 1]" 1
379 1 65 THR HB 1 66 LEU H 2.605 . 3.453 3.157 1.734 3.457 0.023 9 0 "[ . 1]" 1
380 1 65 THR HG1 1 66 LEU H 2.855 . 3.874 2.477 2.029 3.115 . 0 0 "[ . 1]" 1
381 1 65 THR MG 1 66 LEU QD 2.764 . 3.719 3.770 3.723 3.829 0.110 9 0 "[ . 1]" 1
382 1 66 LEU H 1 66 LEU QD 2.849 . 3.863 2.194 1.818 2.517 0.017 7 0 "[ . 1]" 1
383 1 66 LEU HA 1 66 LEU QB 2.339 . 3.023 2.325 2.212 2.493 . 0 0 "[ . 1]" 1
384 1 66 LEU QB 1 66 LEU QD 2.246 . 2.876 1.932 1.866 1.969 . 0 0 "[ . 1]" 1
385 1 66 LEU QD 1 66 LEU HG 2.155 . 2.736 1.885 1.878 1.893 . 0 0 "[ . 1]" 1
386 1 67 GLU H 1 67 GLU HA 2.503 . 3.286 2.862 2.792 2.938 . 0 0 "[ . 1]" 1
387 1 67 GLU HA 1 67 GLU QB 2.070 . 2.605 2.369 2.346 2.405 . 0 0 "[ . 1]" 1
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