NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581172 |
2mdx   |
19508 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mdx
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 1248
_Distance_constraint_stats_list.Viol_count 2710
_Distance_constraint_stats_list.Viol_total 3659.203
_Distance_constraint_stats_list.Viol_max 0.983
_Distance_constraint_stats_list.Viol_rms 0.0788
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0293
_Distance_constraint_stats_list.Viol_average_violations_only 0.1350
_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 PRO 0.000 0.000 . 0 "[ . 1]"
1 3 LEU 0.422 0.114 8 0 "[ . 1]"
1 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 6 PRO 0.000 0.000 . 0 "[ . 1]"
1 7 GLU 0.069 0.069 5 0 "[ . 1]"
1 8 PHE 2.723 0.217 9 0 "[ . 1]"
1 9 MET 18.957 0.370 4 0 "[ . 1]"
1 10 GLU 4.490 0.343 8 0 "[ . 1]"
1 11 GLY 5.567 0.314 7 0 "[ . 1]"
1 12 VAL 14.175 0.463 4 0 "[ . 1]"
1 13 LEU 17.081 0.427 2 0 "[ . 1]"
1 14 TYR 3.457 0.345 9 0 "[ . 1]"
1 15 LYS 3.401 0.894 1 3 "[+ *. -]"
1 16 TRP 1.479 0.578 2 1 "[ + . 1]"
1 17 THR 0.742 0.106 2 0 "[ . 1]"
1 18 ASN 0.048 0.040 9 0 "[ . 1]"
1 19 TYR 0.313 0.044 5 0 "[ . 1]"
1 20 LEU 9.718 0.456 9 0 "[ . 1]"
1 21 THR 7.742 0.467 6 0 "[ . 1]"
1 22 GLY 0.816 0.180 3 0 "[ . 1]"
1 23 TRP 3.235 0.339 10 0 "[ . 1]"
1 24 GLN 1.157 0.328 3 0 "[ . 1]"
1 25 PRO 3.956 0.339 10 0 "[ . 1]"
1 26 ARG 0.951 0.161 5 0 "[ . 1]"
1 27 TRP 6.076 0.247 6 0 "[ . 1]"
1 28 PHE 4.513 0.326 6 0 "[ . 1]"
1 29 VAL 8.059 0.447 4 0 "[ . 1]"
1 30 LEU 14.780 0.555 5 1 "[ + 1]"
1 31 ASP 1.576 0.147 3 0 "[ . 1]"
1 32 ASN 6.983 0.373 8 0 "[ . 1]"
1 33 GLY 0.299 0.058 6 0 "[ . 1]"
1 34 ILE 16.185 0.408 5 0 "[ . 1]"
1 35 LEU 12.370 0.590 5 1 "[ + 1]"
1 36 SER 0.646 0.203 3 0 "[ . 1]"
1 37 TYR 0.122 0.056 10 0 "[ . 1]"
1 38 TYR 7.605 0.447 4 0 "[ . 1]"
1 39 ASP 0.054 0.054 1 0 "[ . 1]"
1 40 SER 0.054 0.054 1 0 "[ . 1]"
1 41 GLN 5.879 0.669 9 3 "[ - . *+1]"
1 42 ASP 2.876 0.441 9 0 "[ . 1]"
1 43 ASP 4.407 0.426 9 0 "[ . 1]"
1 44 VAL 11.179 0.669 9 1 "[ . +1]"
1 45 CYS 3.374 0.923 4 1 "[ +. 1]"
1 46 LYS 4.018 0.923 4 1 "[ +. 1]"
1 47 GLY 0.000 0.000 . 0 "[ . 1]"
1 48 SER 3.343 0.254 8 0 "[ . 1]"
1 49 LYS 7.007 0.472 6 0 "[ . 1]"
1 50 GLY 0.098 0.079 10 0 "[ . 1]"
1 51 SER 0.579 0.203 3 0 "[ . 1]"
1 52 ILE 21.093 0.313 5 0 "[ . 1]"
1 53 LYS 16.193 0.487 4 0 "[ . 1]"
1 54 MET 5.423 0.590 5 1 "[ + 1]"
1 55 ALA 4.866 0.543 9 2 "[ . -+1]"
1 56 VAL 6.860 0.321 7 0 "[ . 1]"
1 57 CYS 2.657 0.190 5 0 "[ . 1]"
1 58 GLU 10.099 0.343 7 0 "[ . 1]"
1 59 ILE 13.764 0.649 4 2 "[- +. 1]"
1 60 LYS 7.012 0.726 2 1 "[ + . 1]"
1 61 VAL 4.889 0.238 6 0 "[ . 1]"
1 62 HIS 1.660 0.679 3 1 "[ + . 1]"
1 63 SER 1.088 0.268 2 0 "[ . 1]"
1 64 ALA 0.473 0.177 3 0 "[ . 1]"
1 65 ASP 0.015 0.015 7 0 "[ . 1]"
1 66 ASN 2.482 0.366 6 0 "[ . 1]"
1 67 THR 3.056 0.292 1 0 "[ . 1]"
1 68 ARG 1.510 0.679 3 1 "[ + . 1]"
1 69 MET 9.159 0.649 4 2 "[- +. 1]"
1 70 GLU 2.148 0.232 4 0 "[ . 1]"
1 71 LEU 7.215 0.590 5 1 "[ + 1]"
1 72 ILE 22.800 0.726 2 1 "[ + . 1]"
1 73 ILE 15.258 0.396 7 0 "[ . 1]"
1 74 PRO 9.772 0.494 3 0 "[ . 1]"
1 75 GLY 0.000 0.000 . 0 "[ . 1]"
1 76 GLU 1.011 0.288 3 0 "[ . 1]"
1 77 GLN 1.167 0.126 6 0 "[ . 1]"
1 79 PHE 3.804 0.230 2 0 "[ . 1]"
1 80 TYR 1.869 0.578 2 1 "[ + . 1]"
1 81 MET 14.666 0.492 10 0 "[ . 1]"
1 82 LYS 2.985 0.416 6 0 "[ . 1]"
1 83 ALA 5.074 0.356 8 0 "[ . 1]"
1 84 VAL 8.292 0.301 10 0 "[ . 1]"
1 85 ASN 2.968 0.257 7 0 "[ . 1]"
1 86 ALA 9.695 0.366 6 0 "[ . 1]"
1 87 ALA 6.798 0.412 7 0 "[ . 1]"
1 88 GLU 19.475 0.467 4 0 "[ . 1]"
1 89 ARG 6.587 0.467 4 0 "[ . 1]"
1 90 GLN 7.920 0.261 5 0 "[ . 1]"
1 91 ARG 18.005 0.344 9 0 "[ . 1]"
1 92 TRP 12.906 0.276 9 0 "[ . 1]"
1 93 LEU 18.897 0.420 4 0 "[ . 1]"
1 94 VAL 6.686 0.261 1 0 "[ . 1]"
1 95 ALA 6.250 0.261 1 0 "[ . 1]"
1 96 LEU 14.700 0.649 4 3 "[* +- 1]"
1 97 GLY 11.358 0.983 6 4 "[** *.+ 1]"
1 98 SER 1.136 0.177 5 0 "[ . 1]"
1 99 SER 2.682 0.301 1 0 "[ . 1]"
1 100 LYS 1.482 0.157 5 0 "[ . 1]"
1 101 ALA 10.994 0.983 6 4 "[** *.+ 1]"
1 102 CYS 1.402 0.162 7 0 "[ . 1]"
1 103 LEU 2.179 0.147 6 0 "[ . 1]"
1 104 THR 0.304 0.053 9 0 "[ . 1]"
1 106 THR 0.000 0.000 . 0 "[ . 1]"
1 107 ARG 2.415 0.543 9 2 "[ . -+1]"
1 108 THR 0.142 0.073 8 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 70 GLU HA 1 70 GLU QB 2.326 . 3.002 2.189 2.155 2.248 . 0 0 "[ . 1]" 1
2 1 90 GLN HA 1 90 GLN QG 2.223 . 2.841 2.788 2.584 2.973 0.132 6 0 "[ . 1]" 1
3 1 53 LYS QE 1 55 ALA MB 2.532 . 3.333 3.428 3.294 3.543 0.210 1 0 "[ . 1]" 1
4 1 30 LEU HG 1 96 LEU HA 2.205 . 2.813 2.930 2.897 2.969 0.156 2 0 "[ . 1]" 1
5 1 53 LYS HA 1 53 LYS HB2 2.147 . 2.723 2.390 2.262 2.688 . 0 0 "[ . 1]" 1
6 1 53 LYS HA 1 53 LYS HB3 2.269 . 2.912 2.274 2.151 2.391 . 0 0 "[ . 1]" 1
7 1 63 SER HA 1 63 SER QB 1.982 . 2.473 2.309 2.179 2.394 . 0 0 "[ . 1]" 1
8 1 91 ARG HA 1 91 ARG QD 2.777 . 3.741 3.925 3.895 3.990 0.249 2 0 "[ . 1]" 1
9 1 91 ARG HA 1 91 ARG HB3 2.151 . 2.729 2.296 2.220 2.352 . 0 0 "[ . 1]" 1
10 1 27 TRP HD1 1 41 GLN HA 2.949 . 4.036 3.980 3.775 4.122 0.086 6 0 "[ . 1]" 1
11 1 7 GLU HA 1 7 GLU QB 2.050 . 2.576 2.334 2.167 2.488 . 0 0 "[ . 1]" 1
12 1 46 LYS HA 1 46 LYS QG 2.276 . 2.924 3.024 2.427 3.306 0.382 3 0 "[ . 1]" 1
13 1 46 LYS HA 1 46 LYS QB 1.989 . 2.484 2.255 2.124 2.322 . 0 0 "[ . 1]" 1
14 1 7 GLU QB 1 8 PHE H 2.954 . 4.045 3.142 2.254 3.941 . 0 0 "[ . 1]" 1
15 1 7 GLU H 1 7 GLU QB 3.325 . 4.707 2.614 2.171 3.202 . 0 0 "[ . 1]" 1
16 1 88 GLU QG 1 89 ARG H 2.721 . 3.647 4.002 3.725 4.114 0.467 4 0 "[ . 1]" 1
17 1 88 GLU QG 1 92 TRP HE1 2.958 . 4.051 3.816 2.846 4.111 0.060 4 0 "[ . 1]" 1
18 1 4 GLY H 1 4 GLY QA 3.548 . 5.122 2.329 2.207 2.476 . 0 0 "[ . 1]" 1
19 1 10 GLU HA 1 92 TRP HZ2 2.687 . 3.590 3.590 3.514 3.661 0.071 4 0 "[ . 1]" 1
20 1 9 MET H 1 9 MET QG 3.492 . 5.016 3.794 3.703 3.880 . 0 0 "[ . 1]" 1
21 1 9 MET QG 1 10 GLU H 3.196 . 4.472 3.232 2.514 3.573 . 0 0 "[ . 1]" 1
22 1 9 MET QG 1 92 TRP HZ3 3.711 . 5.432 3.116 2.902 3.755 . 0 0 "[ . 1]" 1
23 1 9 MET HA 1 9 MET QG 2.941 . 4.022 3.090 2.656 3.240 . 0 0 "[ . 1]" 1
24 1 9 MET HB3 1 9 MET QG 2.559 . 3.377 2.195 2.146 2.376 . 0 0 "[ . 1]" 1
25 1 9 MET QG 1 30 LEU MD1 3.262 . 4.592 4.381 4.159 4.672 0.080 1 0 "[ . 1]" 1
26 1 8 PHE QD 1 10 GLU QG 3.003 . 4.130 3.120 2.824 3.501 . 0 0 "[ . 1]" 1
27 1 10 GLU HB2 1 27 TRP HH2 3.213 . 4.503 3.295 3.145 3.961 . 0 0 "[ . 1]" 1
28 1 12 VAL MG2 1 14 TYR H 2.394 . 3.111 3.187 3.083 3.272 0.161 5 0 "[ . 1]" 1
29 1 11 GLY HA2 1 12 VAL MG2 3.085 . 4.275 4.428 4.279 4.589 0.314 7 0 "[ . 1]" 1
30 1 12 VAL MG1 1 27 TRP QB 2.905 . 3.960 4.032 3.999 4.052 0.092 9 0 "[ . 1]" 1
31 1 13 LEU HB2 1 14 TYR H 2.946 . 4.031 3.721 3.477 3.887 . 0 0 "[ . 1]" 1
32 1 13 LEU HB3 1 14 TYR H 2.969 . 4.071 3.878 3.787 3.965 . 0 0 "[ . 1]" 1
33 1 13 LEU MD1 1 82 LYS H 2.605 . 3.453 3.192 3.057 3.360 . 0 0 "[ . 1]" 1
34 1 14 TYR H 1 14 TYR HA 2.765 . 3.721 2.656 2.470 2.769 . 0 0 "[ . 1]" 1
35 1 15 LYS HA 1 15 LYS QG 2.879 . 3.915 2.719 2.352 3.414 . 0 0 "[ . 1]" 1
36 1 15 LYS HD3 1 15 LYS QG 2.431 . 3.170 2.331 2.177 2.458 . 0 0 "[ . 1]" 1
37 1 15 LYS HD2 1 15 LYS QG 2.599 . 3.444 2.280 2.144 2.382 . 0 0 "[ . 1]" 1
38 1 15 LYS HE3 1 15 LYS QG 2.878 . 3.914 2.928 2.331 3.417 . 0 0 "[ . 1]" 1
39 1 15 LYS HE2 1 15 LYS QG 2.901 . 3.953 2.538 2.291 3.481 . 0 0 "[ . 1]" 1
40 1 19 TYR HA 1 19 TYR QB 2.053 . 2.580 2.287 2.170 2.363 . 0 0 "[ . 1]" 1
41 1 21 THR HA 1 21 THR MG 1.773 . 2.166 1.968 1.954 1.983 . 0 0 "[ . 1]" 1
42 1 27 TRP HA 1 27 TRP QB 2.649 . 3.526 2.323 2.302 2.339 . 0 0 "[ . 1]" 1
43 1 27 TRP HA 1 27 TRP HE3 2.743 . 3.684 2.583 2.544 2.646 . 0 0 "[ . 1]" 1
44 1 27 TRP QB 1 27 TRP HE3 2.952 . 4.042 2.614 2.560 2.638 . 0 0 "[ . 1]" 1
45 1 27 TRP H 1 27 TRP QB 2.876 . 3.910 2.288 2.247 2.315 . 0 0 "[ . 1]" 1
46 1 30 LEU HB2 1 30 LEU HG 2.412 . 3.139 2.144 2.121 2.164 . 0 0 "[ . 1]" 1
47 1 30 LEU HB3 1 35 LEU MD2 2.621 . 3.480 3.577 3.516 3.631 0.151 5 0 "[ . 1]" 1
48 1 30 LEU HB2 1 35 LEU MD2 2.607 . 3.456 2.640 2.568 2.787 . 0 0 "[ . 1]" 1
49 1 30 LEU QD 1 96 LEU HA 2.507 . 3.293 2.743 2.644 2.889 . 0 0 "[ . 1]" 1
50 1 30 LEU QD 1 33 GLY H 2.700 . 3.611 2.517 2.074 2.929 . 0 0 "[ . 1]" 1
51 1 30 LEU H 1 30 LEU QD 3.046 . 4.206 3.538 3.503 3.565 . 0 0 "[ . 1]" 1
52 1 31 ASP HA 1 31 ASP QB 2.304 . 2.968 2.256 2.173 2.505 . 0 0 "[ . 1]" 1
53 1 29 VAL QG 1 31 ASP QB 2.647 . 3.523 2.967 2.600 3.468 . 0 0 "[ . 1]" 1
54 1 8 PHE QD 1 31 ASP QB 2.891 . 3.936 2.485 2.020 3.884 . 0 0 "[ . 1]" 1
55 1 31 ASP H 1 31 ASP QB 3.085 . 4.275 2.883 2.387 3.189 . 0 0 "[ . 1]" 1
56 1 59 ILE MD 1 69 MET HB3 2.242 . 2.870 3.116 2.914 3.519 0.649 4 2 "[- +. 1]" 1
57 1 34 ILE MG 1 36 SER HA 2.562 . 3.382 3.394 3.253 3.585 0.203 3 0 "[ . 1]" 1
58 1 35 LEU HB2 1 35 LEU MD2 2.584 . 3.418 2.592 2.391 2.806 . 0 0 "[ . 1]" 1
59 1 39 ASP QB 1 40 SER H 2.603 . 3.450 2.494 2.094 3.504 0.054 1 0 "[ . 1]" 1
60 1 39 ASP HA 1 39 ASP QB 2.600 . 3.445 2.371 2.280 2.446 . 0 0 "[ . 1]" 1
61 1 27 TRP HH2 1 41 GLN HG2 2.509 . 3.296 2.598 2.154 3.357 0.061 5 0 "[ . 1]" 1
62 1 38 TYR HB3 1 44 VAL MG2 2.742 . 3.682 3.729 3.362 4.108 0.426 9 0 "[ . 1]" 1
63 1 45 CYS HA 1 45 CYS QB 1.938 . 2.407 2.276 2.153 2.426 0.019 8 0 "[ . 1]" 1
64 1 102 CYS HA 1 102 CYS QB 1.929 . 2.394 2.369 2.336 2.390 . 0 0 "[ . 1]" 1
65 1 45 CYS QB 1 46 LYS H 2.923 . 3.991 2.901 2.481 3.396 . 0 0 "[ . 1]" 1
66 1 45 CYS H 1 45 CYS QB 3.115 . 4.328 2.474 2.216 2.814 . 0 0 "[ . 1]" 1
67 1 44 VAL MG1 1 45 CYS QB 2.992 . 4.111 4.268 4.211 4.313 0.202 7 0 "[ . 1]" 1
68 1 61 VAL HB 1 61 VAL QG 1.772 . 2.165 1.884 1.880 1.889 . 0 0 "[ . 1]" 1
69 1 46 LYS QB 1 49 LYS QD 2.368 . 3.069 2.975 2.591 3.155 0.086 5 0 "[ . 1]" 1
70 1 45 CYS QB 1 46 LYS HG2 2.387 . 3.099 2.789 2.270 4.022 0.923 4 1 "[ +. 1]" 1
71 1 46 LYS QB 1 46 LYS QG 2.162 . 2.746 1.993 1.977 2.015 . 0 0 "[ . 1]" 1
72 1 46 LYS QB 1 46 LYS QD 2.266 . 2.908 2.305 2.182 2.372 . 0 0 "[ . 1]" 1
73 1 46 LYS QD 1 46 LYS QG 2.111 . 2.668 2.061 2.002 2.086 . 0 0 "[ . 1]" 1
74 1 45 CYS QB 1 46 LYS QD 2.145 . 2.720 2.611 1.821 2.832 0.112 6 0 "[ . 1]" 1
75 1 45 CYS HA 1 46 LYS QD 2.896 . 3.944 2.622 2.222 3.392 . 0 0 "[ . 1]" 1
76 1 49 LYS QB 1 49 LYS QE 2.905 . 3.453 2.738 1.934 3.459 0.006 5 0 "[ . 1]" 1
77 1 49 LYS QD 1 49 LYS QE 2.194 . 2.218 2.062 2.053 2.067 . 0 0 "[ . 1]" 1
78 1 49 LYS QB 1 49 LYS HG3 1.914 . 2.372 2.022 1.988 2.052 . 0 0 "[ . 1]" 1
79 1 49 LYS QB 1 49 LYS HG2 1.863 . 2.297 1.991 1.961 2.014 . 0 0 "[ . 1]" 1
80 1 49 LYS HA 1 49 LYS QE 2.757 . 3.707 3.266 2.129 4.003 0.296 2 0 "[ . 1]" 1
81 1 49 LYS QE 1 49 LYS HG2 2.178 . 2.771 2.689 2.051 3.243 0.472 6 0 "[ . 1]" 1
82 1 49 LYS QE 1 49 LYS HG3 2.208 . 2.817 2.402 2.183 2.604 . 0 0 "[ . 1]" 1
83 1 3 LEU H 1 3 LEU HB2 3.114 . 4.326 3.254 2.461 3.781 . 0 0 "[ . 1]" 1
84 1 52 ILE HG13 1 52 ILE MG 2.046 . 2.569 2.577 2.439 2.642 0.073 1 0 "[ . 1]" 1
85 1 34 ILE HG13 1 53 LYS HA 2.625 . 3.487 2.913 2.835 3.106 . 0 0 "[ . 1]" 1
86 1 100 LYS QB 1 100 LYS QE 2.874 . 3.446 3.230 3.098 3.297 . 0 0 "[ . 1]" 1
87 1 53 LYS HB2 1 53 LYS HG2 2.253 . 2.887 2.007 1.985 2.026 . 0 0 "[ . 1]" 1
88 1 53 LYS QD 1 53 LYS HG3 1.758 . 2.145 2.154 2.150 2.159 0.014 1 0 "[ . 1]" 1
89 1 53 LYS QD 1 53 LYS HG2 1.971 . 2.457 2.406 2.375 2.437 . 0 0 "[ . 1]" 1
90 1 34 ILE MD 1 53 LYS HG3 2.617 . 3.473 3.398 3.309 3.497 0.024 1 0 "[ . 1]" 1
91 1 53 LYS HA 1 53 LYS QD 2.938 . 4.017 4.073 4.030 4.093 0.076 8 0 "[ . 1]" 1
92 1 53 LYS HB2 1 53 LYS QD 2.280 . 2.930 2.555 2.462 2.652 . 0 0 "[ . 1]" 1
93 1 53 LYS QD 1 56 VAL MG1 2.576 . 3.406 2.654 2.548 2.818 . 0 0 "[ . 1]" 1
94 1 34 ILE MD 1 53 LYS QD 2.537 . 3.341 3.544 3.476 3.580 0.239 1 0 "[ . 1]" 1
95 1 53 LYS H 1 53 LYS QD 2.976 . 4.083 4.215 4.183 4.256 0.173 3 0 "[ . 1]" 1
96 1 53 LYS QD 1 53 LYS QE 1.671 . 2.020 2.081 2.078 2.083 0.063 6 0 "[ . 1]" 1
97 1 34 ILE HG13 1 53 LYS HE2 1.953 . 2.430 2.589 2.543 2.661 0.231 7 0 "[ . 1]" 1
98 1 53 LYS QE 1 53 LYS HG2 2.139 . 2.711 2.258 2.222 2.287 . 0 0 "[ . 1]" 1
99 1 34 ILE MD 1 53 LYS QE 2.175 . 2.766 1.752 1.706 1.864 . 0 0 "[ . 1]" 1
100 1 53 LYS QE 1 56 VAL MG1 2.463 . 3.222 2.374 2.147 2.802 . 0 0 "[ . 1]" 1
101 1 53 LYS HB2 1 53 LYS QE 2.680 . 3.578 3.381 3.267 3.554 . 0 0 "[ . 1]" 1
102 1 53 LYS QE 1 55 ALA H 3.317 . 4.692 4.352 4.187 4.563 . 0 0 "[ . 1]" 1
103 1 54 MET HA 1 57 CYS QB 2.628 . 3.491 3.522 3.442 3.624 0.133 3 0 "[ . 1]" 1
104 1 30 LEU HG 1 54 MET HG2 2.925 . 3.995 3.575 3.177 4.550 0.555 5 1 "[ + 1]" 1
105 1 55 ALA HA 1 100 LYS QE 2.946 . 4.031 3.101 2.497 4.032 0.001 8 0 "[ . 1]" 1
106 1 55 ALA HA 1 100 LYS HD2 2.567 . 3.391 3.088 2.615 3.403 0.012 10 0 "[ . 1]" 1
107 1 49 LYS HA 1 49 LYS QB 1.911 . 2.368 1.748 1.572 2.022 . 0 0 "[ . 1]" 1
108 1 59 ILE QG 1 61 VAL QG 1.983 . 2.475 2.390 1.944 2.578 0.103 4 0 "[ . 1]" 1
109 1 57 CYS H 1 57 CYS QB 2.367 . 3.067 2.572 2.524 2.652 . 0 0 "[ . 1]" 1
110 1 57 CYS QB 1 58 GLU H 2.685 . 3.586 1.771 1.736 1.855 0.048 8 0 "[ . 1]" 1
111 1 56 VAL H 1 57 CYS QB 2.977 . 4.085 4.099 4.027 4.124 0.039 2 0 "[ . 1]" 1
112 1 58 GLU HG3 1 72 ILE MD 2.808 . 3.794 3.876 3.785 3.913 0.119 3 0 "[ . 1]" 1
113 1 52 ILE HB 1 71 LEU HG 2.134 . 2.703 2.435 2.360 2.489 . 0 0 "[ . 1]" 1
114 1 59 ILE MG 1 100 LYS QE 2.827 . 3.826 3.877 3.582 3.983 0.157 5 0 "[ . 1]" 1
115 1 59 ILE MD 1 72 ILE H 2.837 . 3.843 3.995 3.918 4.130 0.287 2 0 "[ . 1]" 1
116 1 60 LYS QB 1 60 LYS HG3 2.011 . 2.517 2.018 1.995 2.050 . 0 0 "[ . 1]" 1
117 1 60 LYS QD 1 60 LYS HG2 1.967 . 2.451 2.152 2.132 2.221 . 0 0 "[ . 1]" 1
118 1 60 LYS HD2 1 60 LYS HE2 1.889 . 2.335 2.269 2.219 2.341 0.006 7 0 "[ . 1]" 1
119 1 60 LYS QD 1 60 LYS HG3 2.076 . 2.615 2.444 2.329 2.524 . 0 0 "[ . 1]" 1
120 1 60 LYS QD 1 72 ILE MG 2.167 . 2.754 2.688 2.085 2.885 0.131 6 0 "[ . 1]" 1
121 1 60 LYS QD 1 60 LYS HE2 2.025 . 2.537 2.295 2.207 2.348 . 0 0 "[ . 1]" 1
122 1 60 LYS QD 1 60 LYS HE3 1.991 . 2.487 2.351 2.289 2.450 . 0 0 "[ . 1]" 1
123 1 61 VAL HA 1 61 VAL QG 1.983 . 2.474 2.508 2.022 2.610 0.136 1 0 "[ . 1]" 1
124 1 61 VAL HA 1 69 MET QB 2.654 . 3.534 3.295 2.175 3.751 0.217 1 0 "[ . 1]" 1
125 1 53 LYS HB2 1 56 VAL MG2 2.471 . 3.234 2.059 1.820 2.270 . 0 0 "[ . 1]" 1
126 1 67 THR HA 1 82 LYS QG 2.842 . 3.852 3.912 3.728 4.073 0.221 1 0 "[ . 1]" 1
127 1 67 THR HB 1 82 LYS QG 2.864 . 3.890 1.942 1.832 2.306 0.006 8 0 "[ . 1]" 1
128 1 69 MET HA 1 69 MET QB 2.221 . 2.837 2.224 2.130 2.417 . 0 0 "[ . 1]" 1
129 1 61 VAL QG 1 69 MET HA 2.629 . 3.493 3.442 1.904 3.731 0.238 6 0 "[ . 1]" 1
130 1 60 LYS QB 1 69 MET HA 3.038 . 4.192 3.982 3.772 4.169 . 0 0 "[ . 1]" 1
131 1 69 MET QB 1 93 LEU MD1 2.652 . 3.531 2.076 1.750 2.614 0.023 1 0 "[ . 1]" 1
132 1 61 VAL QG 1 69 MET QB 2.848 . 3.862 3.311 1.907 3.780 . 0 0 "[ . 1]" 1
133 1 69 MET H 1 69 MET QB 2.550 . 3.363 3.094 2.756 3.349 . 0 0 "[ . 1]" 1
134 1 69 MET QB 1 69 MET ME 1.987 . 2.480 2.131 1.822 2.273 . 0 0 "[ . 1]" 1
135 1 70 GLU H 1 70 GLU QB 2.597 . 3.440 3.203 3.042 3.314 . 0 0 "[ . 1]" 1
136 1 70 GLU QB 1 71 LEU H 2.866 . 3.893 2.560 2.406 2.773 . 0 0 "[ . 1]" 1
137 1 70 GLU QB 1 70 GLU HG2 2.034 . 2.551 2.329 2.256 2.400 . 0 0 "[ . 1]" 1
138 1 70 GLU QB 1 72 ILE MG 2.712 . 3.631 3.331 3.175 3.505 . 0 0 "[ . 1]" 1
139 1 69 MET H 1 70 GLU HG2 2.632 . 3.498 3.205 2.900 3.544 0.046 5 0 "[ . 1]" 1
140 1 12 VAL MG2 1 84 VAL HB 2.682 . 3.581 3.756 3.690 3.882 0.301 10 0 "[ . 1]" 1
141 1 59 ILE HB 1 71 LEU HA 2.956 . 4.048 3.452 2.967 3.682 . 0 0 "[ . 1]" 1
142 1 52 ILE MG 1 71 LEU HB3 2.379 . 3.086 2.311 2.212 2.351 . 0 0 "[ . 1]" 1
143 1 59 ILE H 1 71 LEU MD1 2.752 . 3.698 3.577 3.533 3.615 . 0 0 "[ . 1]" 1
144 1 57 CYS QB 1 71 LEU MD1 2.855 . 3.874 3.853 3.739 3.901 0.027 7 0 "[ . 1]" 1
145 1 71 LEU HB2 1 71 LEU MD2 1.871 . 2.309 1.948 1.942 1.956 . 0 0 "[ . 1]" 1
146 1 35 LEU HB3 1 71 LEU MD2 2.695 . 3.603 3.671 3.543 4.193 0.590 5 1 "[ + 1]" 1
147 1 35 LEU HB3 1 71 LEU MD1 2.740 . 3.678 3.770 3.649 4.131 0.453 5 0 "[ . 1]" 1
148 1 72 ILE HB 1 72 ILE MD 2.045 . 2.568 1.929 1.924 1.935 . 0 0 "[ . 1]" 1
149 1 57 CYS QB 1 73 ILE MG 2.812 . 3.800 2.777 2.606 3.351 . 0 0 "[ . 1]" 1
150 1 52 ILE HG13 1 73 ILE MG 2.347 . 3.035 2.544 2.368 2.696 . 0 0 "[ . 1]" 1
151 1 52 ILE HG12 1 73 ILE HG12 2.169 . 2.757 1.906 1.859 1.952 . 0 0 "[ . 1]" 1
152 1 73 ILE MD 1 74 PRO HG2 2.085 . 2.629 2.392 1.941 2.676 0.047 2 0 "[ . 1]" 1
153 1 56 VAL MG2 1 74 PRO HG3 2.938 . 4.017 2.120 1.824 2.333 0.035 1 0 "[ . 1]" 1
154 1 77 GLN HA 1 77 GLN QG 2.457 . 3.212 3.324 3.305 3.338 0.126 6 0 "[ . 1]" 1
155 1 77 GLN HB2 1 77 GLN QG 2.081 . 2.623 2.358 2.315 2.399 . 0 0 "[ . 1]" 1
156 1 77 GLN HE21 1 77 GLN QG 3.059 . 4.229 2.373 2.168 2.781 . 0 0 "[ . 1]" 1
157 1 71 LEU HB3 1 79 PHE HB3 2.732 . 3.665 3.411 3.247 3.541 . 0 0 "[ . 1]" 1
158 1 52 ILE HG12 1 79 PHE HB2 3.041 . 4.197 4.027 3.721 4.192 . 0 0 "[ . 1]" 1
159 1 35 LEU MD1 1 79 PHE HB3 3.154 . 4.398 4.513 4.408 4.557 0.159 9 0 "[ . 1]" 1
160 1 15 LYS QG 1 81 MET HB2 2.849 . 3.864 3.235 1.983 3.707 . 0 0 "[ . 1]" 1
161 1 15 LYS QG 1 81 MET HB3 2.976 . 4.083 2.881 2.107 3.616 . 0 0 "[ . 1]" 1
162 1 79 PHE HB2 1 81 MET ME 2.716 . 3.638 3.487 3.331 3.661 0.023 2 0 "[ . 1]" 1
163 1 82 LYS HD3 1 82 LYS QG 2.348 . 3.037 2.277 2.172 2.423 . 0 0 "[ . 1]" 1
164 1 82 LYS HB3 1 82 LYS QG 2.481 . 3.250 2.341 2.268 2.399 . 0 0 "[ . 1]" 1
165 1 82 LYS HE2 1 82 LYS QG 2.268 . 2.911 2.596 2.414 2.976 0.065 1 0 "[ . 1]" 1
166 1 82 LYS HE3 1 82 LYS QG 2.309 . 2.975 2.661 2.292 2.978 0.003 7 0 "[ . 1]" 1
167 1 82 LYS HD2 1 82 LYS QG 2.353 . 3.045 2.288 2.171 2.366 . 0 0 "[ . 1]" 1
168 1 67 THR HA 1 83 ALA MB 2.572 . 3.399 3.190 2.880 3.511 0.112 1 0 "[ . 1]" 1
169 1 84 VAL HA 1 84 VAL QG 1.877 . 2.317 2.084 2.070 2.111 . 0 0 "[ . 1]" 1
170 1 84 VAL HB 1 84 VAL QG 1.760 . 2.147 1.856 1.853 1.861 . 0 0 "[ . 1]" 1
171 1 87 ALA MB 1 91 ARG QD 2.949 . 4.036 3.809 3.403 4.080 0.044 1 0 "[ . 1]" 1
172 1 84 VAL QG 1 88 GLU HB3 2.563 . 3.384 3.607 3.495 3.682 0.298 4 0 "[ . 1]" 1
173 1 67 THR MG 1 89 ARG HB3 3.067 . 4.243 3.275 3.155 3.483 . 0 0 "[ . 1]" 1
174 1 90 GLN HB2 1 90 GLN QG 2.007 . 2.511 2.251 2.061 2.415 . 0 0 "[ . 1]" 1
175 1 90 GLN QB 1 90 GLN QG 1.970 . 2.455 1.960 1.947 1.971 . 0 0 "[ . 1]" 1
176 1 91 ARG HB3 1 91 ARG QD 2.387 . 3.099 2.436 2.375 2.533 . 0 0 "[ . 1]" 1
177 1 91 ARG QD 1 91 ARG HG2 1.976 . 2.464 2.368 2.308 2.494 0.030 2 0 "[ . 1]" 1
178 1 91 ARG HB2 1 91 ARG QD 2.159 . 2.742 2.241 2.162 2.305 . 0 0 "[ . 1]" 1
179 1 91 ARG QD 1 91 ARG HG3 1.915 . 2.373 2.288 2.133 2.346 . 0 0 "[ . 1]" 1
180 1 88 GLU HG2 1 91 ARG HD2 2.965 . 4.064 3.673 2.911 4.209 0.145 7 0 "[ . 1]" 1
181 1 88 GLU HB3 1 91 ARG QD 3.176 . 4.437 4.520 4.391 4.606 0.169 5 0 "[ . 1]" 1
182 1 88 GLU HA 1 91 ARG QD 2.654 . 3.534 1.898 1.784 2.038 . 0 0 "[ . 1]" 1
183 1 91 ARG H 1 91 ARG QD 2.684 . 3.585 3.438 3.150 3.629 0.044 2 0 "[ . 1]" 1
184 1 92 TRP HB3 1 93 LEU MD1 2.601 . 3.447 2.313 2.233 2.373 . 0 0 "[ . 1]" 1
185 1 93 LEU HA 1 93 LEU HB2 2.168 . 2.755 2.933 2.924 2.950 0.195 4 0 "[ . 1]" 1
186 1 90 GLN HE22 1 94 VAL QG 2.257 . 2.894 2.366 2.129 2.591 . 0 0 "[ . 1]" 1
187 1 95 ALA HA 1 98 SER QB 2.308 . 2.974 2.423 2.023 2.970 . 0 0 "[ . 1]" 1
188 1 93 LEU HA 1 96 LEU HB3 2.409 . 3.134 2.506 2.484 2.533 . 0 0 "[ . 1]" 1
189 1 98 SER HA 1 98 SER QB 1.970 . 2.455 2.371 2.354 2.394 . 0 0 "[ . 1]" 1
190 1 7 GLU QB 1 98 SER HB3 2.949 . 4.036 3.502 2.654 4.105 0.069 5 0 "[ . 1]" 1
191 1 7 GLU QB 1 99 SER HB2 2.710 . 3.628 2.087 1.811 3.499 . 0 0 "[ . 1]" 1
192 1 7 GLU QB 1 99 SER HB3 2.814 . 3.804 3.219 2.059 3.634 . 0 0 "[ . 1]" 1
193 1 100 LYS HD2 1 100 LYS QE 2.221 . 2.838 2.289 2.203 2.426 . 0 0 "[ . 1]" 1
194 1 3 LEU HA 1 102 CYS QB 2.523 . 3.319 3.119 2.535 3.433 0.114 8 0 "[ . 1]" 1
195 1 102 CYS H 1 102 CYS QB 2.916 . 3.979 2.384 2.295 2.465 . 0 0 "[ . 1]" 1
196 1 102 CYS QB 1 103 LEU H 3.257 . 4.583 3.429 3.103 3.720 . 0 0 "[ . 1]" 1
197 1 101 ALA MB 1 102 CYS QB 2.896 . 3.944 3.835 3.494 4.106 0.162 3 0 "[ . 1]" 1
198 1 103 LEU HA 1 103 LEU QB 2.120 . 2.682 2.323 2.261 2.413 . 0 0 "[ . 1]" 1
199 1 102 CYS QB 1 103 LEU MD1 3.212 . 4.502 3.657 2.655 4.537 0.035 5 0 "[ . 1]" 1
200 1 103 LEU QB 1 103 LEU MD2 1.937 . 2.406 1.876 1.855 1.909 . 0 0 "[ . 1]" 1
201 1 104 THR HB 1 104 THR MG 1.637 . 1.972 1.901 1.898 1.903 . 0 0 "[ . 1]" 1
202 1 104 THR HA 1 104 THR MG 1.919 . 2.380 2.063 2.022 2.104 . 0 0 "[ . 1]" 1
203 1 83 ALA MB 1 88 GLU QG 2.216 . 2.830 2.599 1.943 2.917 0.087 5 0 "[ . 1]" 1
204 1 84 VAL QG 1 88 GLU QG 2.145 . 2.619 2.290 2.102 2.623 0.004 8 0 "[ . 1]" 1
205 1 88 GLU HB2 1 88 GLU QG 2.064 . 2.596 2.162 2.109 2.356 . 0 0 "[ . 1]" 1
206 1 88 GLU HB3 1 88 GLU QG 2.003 . 2.505 2.156 2.132 2.228 . 0 0 "[ . 1]" 1
207 1 13 LEU MD1 1 88 GLU QG 3.009 . 4.141 4.090 3.189 4.327 0.186 6 0 "[ . 1]" 1
208 1 85 ASN HB2 1 88 GLU HG2 2.802 . 3.783 3.175 2.691 4.040 0.257 7 0 "[ . 1]" 1
209 1 39 ASP H 1 39 ASP QB 2.451 . 3.202 2.323 2.213 2.451 . 0 0 "[ . 1]" 1
210 1 2 PRO QD 1 2 PRO HG2 1.797 . 2.201 2.004 1.991 2.024 . 0 0 "[ . 1]" 1
211 1 9 MET ME 1 91 ARG QD 2.150 . 2.728 2.363 2.240 2.621 . 0 0 "[ . 1]" 1
212 1 91 ARG HA 1 92 TRP HB2 3.151 . 4.392 4.353 4.301 4.391 . 0 0 "[ . 1]" 1
213 1 53 LYS HB3 1 55 ALA MB 2.552 . 3.366 3.248 3.125 3.352 . 0 0 "[ . 1]" 1
214 1 10 GLU HB2 1 11 GLY HA2 2.805 . 3.788 3.847 3.805 3.975 0.187 8 0 "[ . 1]" 1
215 1 11 GLY HA3 1 92 TRP HZ2 2.895 . 3.942 3.436 3.338 3.550 . 0 0 "[ . 1]" 1
216 1 11 GLY HA3 1 27 TRP HH2 2.781 . 3.748 3.968 3.921 3.995 0.247 6 0 "[ . 1]" 1
217 1 11 GLY H 1 11 GLY HA3 2.794 . 3.770 2.909 2.878 2.935 . 0 0 "[ . 1]" 1
218 1 11 GLY HA3 1 12 VAL H 2.304 . 2.967 2.731 2.674 2.801 . 0 0 "[ . 1]" 1
219 1 11 GLY HA2 1 12 VAL H 2.312 . 2.980 2.433 2.338 2.521 . 0 0 "[ . 1]" 1
220 1 11 GLY H 1 11 GLY HA2 2.734 . 3.668 2.639 2.578 2.693 . 0 0 "[ . 1]" 1
221 1 11 GLY HA2 1 27 TRP HH2 2.717 . 3.640 2.616 2.558 2.727 . 0 0 "[ . 1]" 1
222 1 22 GLY H 1 22 GLY HA3 2.541 . 3.348 2.640 2.287 2.890 . 0 0 "[ . 1]" 1
223 1 22 GLY HA3 1 23 TRP H 2.714 . 3.635 2.503 2.097 3.467 . 0 0 "[ . 1]" 1
224 1 37 TYR HA 1 38 TYR H 2.473 . 3.238 2.135 2.043 2.179 . 0 0 "[ . 1]" 1
225 1 28 PHE HA 1 37 TYR HA 2.695 . 3.603 2.758 2.271 3.208 . 0 0 "[ . 1]" 1
226 1 37 TYR HA 1 37 TYR QB 2.643 . 3.462 2.234 2.156 2.434 . 0 0 "[ . 1]" 1
227 1 70 GLU HA 1 70 GLU HG2 2.465 . 3.224 3.115 2.901 3.233 0.009 8 0 "[ . 1]" 1
228 1 32 ASN HA 1 32 ASN HB3 2.220 . 2.836 2.498 2.463 2.533 . 0 0 "[ . 1]" 1
229 1 9 MET HA 1 9 MET HB3 2.306 . 2.971 2.949 2.932 2.973 0.002 4 0 "[ . 1]" 1
230 1 9 MET HA 1 9 MET HB2 2.139 . 2.711 2.287 2.270 2.320 . 0 0 "[ . 1]" 1
231 1 81 MET HA 1 81 MET HG2 2.721 . 3.647 3.667 3.589 4.139 0.492 10 0 "[ . 1]" 1
232 1 15 LYS QB 1 81 MET HA 2.505 . 3.290 3.162 1.731 3.389 0.099 7 0 "[ . 1]" 1
233 1 9 MET H 1 9 MET HA 2.465 . 3.225 2.952 2.940 2.957 . 0 0 "[ . 1]" 1
234 1 9 MET HA 1 10 GLU H 2.105 . 2.659 2.113 2.005 2.197 . 0 0 "[ . 1]" 1
235 1 87 ALA H 1 87 ALA HA 2.427 . 3.164 2.850 2.836 2.864 . 0 0 "[ . 1]" 1
236 1 86 ALA HA 1 88 GLU H 2.654 . 3.535 3.761 3.719 3.809 0.274 7 0 "[ . 1]" 1
237 1 55 ALA H 1 55 ALA HA 2.403 . 3.125 2.858 2.788 2.897 . 0 0 "[ . 1]" 1
238 1 87 ALA HA 1 90 GLN H 2.587 . 3.424 2.697 2.595 2.810 . 0 0 "[ . 1]" 1
239 1 10 GLU HA 1 11 GLY H 2.393 . 3.109 2.193 2.093 2.281 . 0 0 "[ . 1]" 1
240 1 30 LEU HA 1 31 ASP H 2.389 . 3.102 2.180 2.165 2.195 . 0 0 "[ . 1]" 1
241 1 71 LEU HA 1 72 ILE H 2.350 . 3.040 2.143 2.103 2.198 . 0 0 "[ . 1]" 1
242 1 10 GLU HA 1 10 GLU HB3 2.519 . 3.312 2.350 2.318 2.421 . 0 0 "[ . 1]" 1
243 1 10 GLU HA 1 10 GLU HB2 2.643 . 3.516 2.531 2.428 2.575 . 0 0 "[ . 1]" 1
244 1 71 LEU HA 1 71 LEU HB2 2.474 . 3.239 2.813 2.796 2.823 . 0 0 "[ . 1]" 1
245 1 71 LEU HA 1 71 LEU HB3 2.680 . 3.578 2.870 2.859 2.878 . 0 0 "[ . 1]" 1
246 1 90 GLN HA 1 90 GLN HB2 2.082 . 2.624 2.404 2.358 2.462 . 0 0 "[ . 1]" 1
247 1 90 GLN HA 1 93 LEU HB2 2.350 . 3.040 2.870 2.732 3.061 0.021 8 0 "[ . 1]" 1
248 1 88 GLU HA 1 91 ARG HB2 2.554 . 3.370 2.416 2.328 2.486 . 0 0 "[ . 1]" 1
249 1 88 GLU HA 1 88 GLU QG 2.240 . 2.867 2.782 2.589 2.852 . 0 0 "[ . 1]" 1
250 1 88 GLU HA 1 88 GLU HB3 2.383 . 3.093 2.937 2.868 3.015 . 0 0 "[ . 1]" 1
251 1 88 GLU HA 1 88 GLU HB2 2.303 . 2.966 2.727 2.517 2.830 . 0 0 "[ . 1]" 1
252 1 44 VAL HA 1 44 VAL HB 2.344 . 3.031 3.012 3.008 3.014 . 0 0 "[ . 1]" 1
253 1 38 TYR QE 1 44 VAL HA 2.721 . 3.647 3.278 2.981 3.513 . 0 0 "[ . 1]" 1
254 1 68 ARG HD3 1 68 ARG HG2 2.779 . 3.744 2.552 2.381 3.017 . 0 0 "[ . 1]" 1
255 1 68 ARG HD2 1 68 ARG HG2 2.824 . 3.821 2.725 2.425 3.014 . 0 0 "[ . 1]" 1
256 1 25 PRO HD3 1 25 PRO HG2 2.373 . 3.077 2.949 2.699 2.993 . 0 0 "[ . 1]" 1
257 1 25 PRO HD2 1 25 PRO HG2 2.488 . 3.262 2.305 2.275 2.324 . 0 0 "[ . 1]" 1
258 1 25 PRO HD3 1 25 PRO HG3 2.491 . 3.266 2.302 2.278 2.318 . 0 0 "[ . 1]" 1
259 1 23 TRP HH2 1 25 PRO HD3 2.860 . 3.882 3.771 3.102 4.027 0.145 8 0 "[ . 1]" 1
260 1 23 TRP HH2 1 25 PRO HD2 3.014 . 4.150 4.309 3.903 4.489 0.339 10 0 "[ . 1]" 1
261 1 24 GLN HA 1 25 PRO HD3 2.380 . 3.088 2.571 2.145 2.811 . 0 0 "[ . 1]" 1
262 1 24 GLN HA 1 25 PRO HD2 2.389 . 3.102 2.123 1.933 2.626 . 0 0 "[ . 1]" 1
263 1 24 GLN HA 1 24 GLN HG2 2.538 . 3.343 2.986 2.862 3.125 . 0 0 "[ . 1]" 1
264 1 24 GLN HA 1 24 GLN HB2 2.347 . 3.035 3.022 3.008 3.030 . 0 0 "[ . 1]" 1
265 1 24 GLN HA 1 24 GLN HB3 2.791 . 3.765 2.522 2.467 2.576 . 0 0 "[ . 1]" 1
266 1 55 ALA H 1 56 VAL MG1 2.774 . 3.736 3.362 3.261 3.523 . 0 0 "[ . 1]" 1
267 1 101 ALA MB 1 102 CYS H 2.742 . 3.682 2.754 2.297 3.081 . 0 0 "[ . 1]" 1
268 1 101 ALA H 1 101 ALA MB 2.157 . 2.739 2.228 2.198 2.253 . 0 0 "[ . 1]" 1
269 1 8 PHE H 1 95 ALA MB 2.710 . 3.628 3.674 3.335 3.796 0.168 7 0 "[ . 1]" 1
270 1 56 VAL MG1 1 57 CYS H 2.498 . 3.278 3.284 3.114 3.354 0.076 6 0 "[ . 1]" 1
271 1 56 VAL H 1 56 VAL MG1 1.934 . 2.402 1.798 1.747 1.853 . 0 0 "[ . 1]" 1
272 1 95 ALA H 1 95 ALA MB 1.908 . 2.363 2.168 2.138 2.218 . 0 0 "[ . 1]" 1
273 1 95 ALA MB 1 96 LEU H 2.209 . 2.819 2.344 2.189 2.459 . 0 0 "[ . 1]" 1
274 1 86 ALA MB 1 88 GLU H 2.868 . 3.896 4.048 4.010 4.110 0.214 3 0 "[ . 1]" 1
275 1 55 ALA MB 1 56 VAL H 2.206 . 2.814 2.613 2.399 2.849 0.035 7 0 "[ . 1]" 1
276 1 55 ALA H 1 55 ALA MB 1.866 . 2.301 2.241 2.206 2.273 . 0 0 "[ . 1]" 1
277 1 55 ALA HA 1 55 ALA MB 1.718 . 2.087 2.124 2.119 2.129 0.042 8 0 "[ . 1]" 1
278 1 51 SER HA 1 51 SER QB 2.652 . 2.925 2.202 2.166 2.429 . 0 0 "[ . 1]" 1
279 1 96 LEU HA 1 96 LEU HB2 2.476 . 3.242 3.021 3.017 3.025 . 0 0 "[ . 1]" 1
280 1 100 LYS HA 1 100 LYS QG 2.427 . 3.163 2.422 2.323 2.511 . 0 0 "[ . 1]" 1
281 1 96 LEU HA 1 96 LEU HB3 2.485 . 3.257 2.524 2.499 2.555 . 0 0 "[ . 1]" 1
282 1 100 LYS HA 1 100 LYS QB 2.207 . 2.816 2.359 2.330 2.392 . 0 0 "[ . 1]" 1
283 1 96 LEU H 1 96 LEU HA 2.690 . 3.595 2.744 2.730 2.775 . 0 0 "[ . 1]" 1
284 1 8 PHE HA 1 9 MET H 2.230 . 2.851 2.207 2.189 2.244 . 0 0 "[ . 1]" 1
285 1 80 TYR HA 1 81 MET H 2.452 . 3.204 2.175 2.114 2.257 . 0 0 "[ . 1]" 1
286 1 28 PHE HA 1 29 VAL H 2.342 . 3.028 2.287 2.264 2.310 . 0 0 "[ . 1]" 1
287 1 20 LEU H 1 20 LEU HA 2.538 . 3.343 2.760 2.663 2.826 . 0 0 "[ . 1]" 1
288 1 7 GLU HA 1 8 PHE H 2.040 . 2.560 2.319 2.108 2.510 . 0 0 "[ . 1]" 1
289 1 7 GLU H 1 7 GLU HA 2.729 . 3.660 2.833 2.250 2.941 . 0 0 "[ . 1]" 1
290 1 107 ARG HA 1 108 THR H 2.254 . 2.889 2.316 2.124 2.886 . 0 0 "[ . 1]" 1
291 1 53 LYS HA 1 54 MET H 2.337 . 3.020 2.247 2.208 2.294 . 0 0 "[ . 1]" 1
292 1 52 ILE HA 1 52 ILE HG12 2.359 . 3.054 2.420 2.389 2.531 . 0 0 "[ . 1]" 1
293 1 52 ILE HA 1 73 ILE HB 2.694 . 3.601 3.641 3.459 3.723 0.122 5 0 "[ . 1]" 1
294 1 52 ILE HA 1 53 LYS H 2.037 . 2.556 2.181 2.145 2.209 . 0 0 "[ . 1]" 1
295 1 52 ILE H 1 52 ILE HA 2.683 . 3.583 2.870 2.861 2.878 . 0 0 "[ . 1]" 1
296 1 91 ARG H 1 91 ARG HA 2.274 . 2.920 2.629 2.612 2.640 . 0 0 "[ . 1]" 1
297 1 91 ARG HA 1 92 TRP H 2.813 . 3.802 3.570 3.561 3.585 . 0 0 "[ . 1]" 1
298 1 91 ARG HA 1 94 VAL H 2.875 . 3.909 3.881 3.737 3.978 0.069 7 0 "[ . 1]" 1
299 1 91 ARG HA 1 91 ARG HB2 2.279 . 2.928 2.932 2.924 2.943 0.015 2 0 "[ . 1]" 1
300 1 91 ARG HA 1 94 VAL HB 2.552 . 3.366 2.460 2.360 2.553 . 0 0 "[ . 1]" 1
301 1 50 GLY HA3 1 51 SER H 2.690 . 3.594 3.089 2.833 3.232 . 0 0 "[ . 1]" 1
302 1 50 GLY HA2 1 51 SER H 2.713 . 3.633 2.229 2.160 2.431 . 0 0 "[ . 1]" 1
303 1 50 GLY H 1 50 GLY HA2 2.837 . 3.843 2.859 2.769 2.952 . 0 0 "[ . 1]" 1
304 1 11 GLY HA2 1 92 TRP HZ2 3.134 . 4.362 4.371 4.278 4.469 0.107 10 0 "[ . 1]" 1
305 1 59 ILE MG 1 97 GLY HA3 2.770 . 3.729 3.707 3.414 3.918 0.189 3 0 "[ . 1]" 1
306 1 97 GLY H 1 97 GLY HA3 2.350 . 3.040 2.347 2.305 2.377 . 0 0 "[ . 1]" 1
307 1 97 GLY H 1 97 GLY HA2 2.448 . 3.197 2.892 2.873 2.922 . 0 0 "[ . 1]" 1
308 1 25 PRO HB2 1 25 PRO HD3 3.059 . 4.229 3.933 3.875 4.015 . 0 0 "[ . 1]" 1
309 1 25 PRO HB2 1 25 PRO HD2 3.078 . 4.262 3.931 3.123 4.059 . 0 0 "[ . 1]" 1
310 1 25 PRO HB3 1 25 PRO HD2 3.101 . 4.303 3.898 3.866 3.954 . 0 0 "[ . 1]" 1
311 1 25 PRO HB3 1 25 PRO HD3 3.102 . 4.305 3.129 2.936 3.989 . 0 0 "[ . 1]" 1
312 1 41 GLN HA 1 41 GLN QB 2.384 . 3.094 2.356 2.314 2.406 . 0 0 "[ . 1]" 1
313 1 41 GLN HA 1 41 GLN HG3 2.364 . 3.063 2.644 2.349 3.109 0.046 8 0 "[ . 1]" 1
314 1 41 GLN HA 1 41 GLN HG2 2.539 . 3.345 3.040 2.616 3.439 0.094 9 0 "[ . 1]" 1
315 1 41 GLN HA 1 44 VAL H 3.103 . 4.307 3.611 3.513 3.793 . 0 0 "[ . 1]" 1
316 1 41 GLN HA 1 42 ASP H 3.141 . 4.374 3.381 3.327 3.431 . 0 0 "[ . 1]" 1
317 1 46 LYS HA 1 49 LYS QD 2.381 . 3.090 2.623 2.019 3.168 0.078 1 0 "[ . 1]" 1
318 1 20 LEU HA 1 20 LEU HB2 2.194 . 2.796 2.975 2.933 2.985 0.189 6 0 "[ . 1]" 1
319 1 20 LEU HA 1 20 LEU HB3 2.132 . 2.700 2.442 2.368 2.585 . 0 0 "[ . 1]" 1
320 1 20 LEU HA 1 21 THR MG 2.975 . 4.081 4.230 3.855 4.404 0.323 7 0 "[ . 1]" 1
321 1 36 SER HA 1 37 TYR H 2.477 . 3.244 2.309 2.192 2.389 . 0 0 "[ . 1]" 1
322 1 51 SER HA 1 52 ILE H 2.221 . 2.838 2.165 2.116 2.238 . 0 0 "[ . 1]" 1
323 1 36 SER HA 1 52 ILE H 2.636 . 3.505 2.788 2.461 3.145 . 0 0 "[ . 1]" 1
324 1 36 SER HA 1 51 SER QB . . 2.914 2.686 2.298 2.886 . 0 0 "[ . 1]" 1
325 1 36 SER H 1 36 SER HA 2.960 . 4.055 2.938 2.933 2.950 . 0 0 "[ . 1]" 1
326 1 58 GLU HB2 1 58 GLU HG3 2.124 . 2.688 2.999 2.995 3.004 0.316 5 0 "[ . 1]" 1
327 1 58 GLU HG2 1 72 ILE MD 2.833 . 3.837 4.007 3.969 4.034 0.197 6 0 "[ . 1]" 1
328 1 73 ILE MD 1 76 GLU HG3 2.434 . 3.174 2.685 1.997 3.039 . 0 0 "[ . 1]" 1
329 1 29 VAL HB 1 38 TYR QE 2.828 . 3.758 4.111 4.029 4.205 0.447 4 0 "[ . 1]" 1
330 1 85 ASN H 1 88 GLU QG 2.407 . 3.131 2.446 2.245 2.652 . 0 0 "[ . 1]" 1
331 1 84 VAL H 1 88 GLU QG 2.985 . 4.099 2.318 1.958 2.591 . 0 0 "[ . 1]" 1
332 1 6 PRO HA 1 7 GLU H 2.961 . 4.057 2.513 2.187 3.547 . 0 0 "[ . 1]" 1
333 1 3 LEU HA 1 3 LEU HB2 2.486 . 3.258 2.665 2.351 3.023 . 0 0 "[ . 1]" 1
334 1 3 LEU HA 1 3 LEU HB3 2.379 . 3.087 2.607 2.376 3.030 . 0 0 "[ . 1]" 1
335 1 100 LYS QG 1 103 LEU MD2 2.476 . 3.242 2.134 1.873 2.486 . 0 0 "[ . 1]" 1
336 1 63 SER HA 1 63 SER HB2 2.169 . 2.757 2.735 2.508 3.025 0.268 2 0 "[ . 1]" 1
337 1 8 PHE H 1 8 PHE HB2 2.525 . 3.322 3.319 3.206 3.394 0.072 1 0 "[ . 1]" 1
338 1 8 PHE H 1 8 PHE HB3 2.459 . 3.215 3.007 2.871 3.193 . 0 0 "[ . 1]" 1
339 1 8 PHE HB2 1 8 PHE QD 2.536 . 3.340 2.400 2.256 2.542 . 0 0 "[ . 1]" 1
340 1 8 PHE HA 1 8 PHE QD 2.934 . 4.010 2.874 2.583 3.147 . 0 0 "[ . 1]" 1
341 1 70 GLU HA 1 80 TYR HA 2.745 . 3.687 2.927 2.674 3.333 . 0 0 "[ . 1]" 1
342 1 8 PHE HA 1 8 PHE HB3 2.556 . 3.373 3.025 2.999 3.035 . 0 0 "[ . 1]" 1
343 1 8 PHE HA 1 8 PHE HB2 2.434 . 3.174 2.525 2.446 2.648 . 0 0 "[ . 1]" 1
344 1 10 GLU H 1 10 GLU HA 2.938 . 4.017 2.930 2.920 2.934 . 0 0 "[ . 1]" 1
345 1 10 GLU HA 1 29 VAL QG 2.844 . 3.846 2.809 2.587 3.245 . 0 0 "[ . 1]" 1
346 1 10 GLU HA 1 10 GLU QG 2.961 . 4.057 3.395 3.296 3.573 . 0 0 "[ . 1]" 1
347 1 8 PHE HB3 1 8 PHE QD 2.652 . 3.531 2.403 2.286 2.612 . 0 0 "[ . 1]" 1
348 1 9 MET HB3 1 30 LEU HB3 2.929 . 4.001 2.384 2.060 2.660 . 0 0 "[ . 1]" 1
349 1 9 MET HB2 1 30 LEU HB3 3.085 . 4.275 4.048 3.729 4.311 0.036 4 0 "[ . 1]" 1
350 1 9 MET HB3 1 10 GLU H 2.938 . 4.017 4.299 4.172 4.360 0.343 8 0 "[ . 1]" 1
351 1 9 MET HB2 1 10 GLU H 2.877 . 3.911 3.951 3.847 4.067 0.156 9 0 "[ . 1]" 1
352 1 8 PHE H 1 9 MET HB3 3.124 . 4.344 4.487 4.429 4.561 0.217 9 0 "[ . 1]" 1
353 1 8 PHE H 1 9 MET HB2 3.055 . 4.222 4.216 4.064 4.296 0.074 2 0 "[ . 1]" 1
354 1 10 GLU HB2 1 10 GLU QG 2.556 . 3.296 2.325 2.131 2.391 . 0 0 "[ . 1]" 1
355 1 10 GLU H 1 10 GLU QG 2.787 . 3.758 2.427 2.172 3.157 . 0 0 "[ . 1]" 1
356 1 10 GLU QG 1 27 TRP HZ2 2.678 . 3.575 3.261 2.465 3.508 . 0 0 "[ . 1]" 1
357 1 8 PHE QD 1 10 GLU QG 2.875 . 3.908 3.471 2.989 3.848 . 0 0 "[ . 1]" 1
358 1 10 GLU HB3 1 27 TRP HZ2 2.827 . 3.826 3.411 3.245 3.907 0.081 8 0 "[ . 1]" 1
359 1 10 GLU HB3 1 11 GLY H 3.006 . 4.135 3.776 3.633 4.011 . 0 0 "[ . 1]" 1
360 1 10 GLU H 1 10 GLU HB3 3.079 . 4.264 3.367 3.157 3.470 . 0 0 "[ . 1]" 1
361 1 12 VAL H 1 12 VAL HB 2.156 . 2.837 3.253 3.186 3.300 0.463 4 0 "[ . 1]" 1
362 1 12 VAL HA 1 12 VAL HB 2.328 . 3.006 2.194 2.188 2.202 . 0 0 "[ . 1]" 1
363 1 12 VAL H 1 12 VAL MG1 2.039 . 2.559 1.599 1.584 1.614 . 0 0 "[ . 1]" 1
364 1 12 VAL MG2 1 13 LEU H 2.301 . 2.963 2.951 2.820 3.024 0.061 7 0 "[ . 1]" 1
365 1 12 VAL H 1 12 VAL MG2 2.365 . 3.064 3.190 3.114 3.291 0.227 5 0 "[ . 1]" 1
366 1 12 VAL MG1 1 27 TRP HE3 2.048 . 2.572 2.145 2.083 2.194 . 0 0 "[ . 1]" 1
367 1 12 VAL MG1 1 27 TRP HZ3 2.020 . 2.530 2.557 2.452 2.610 0.080 5 0 "[ . 1]" 1
368 1 12 VAL MG2 1 14 TYR QD 2.610 . 3.462 2.628 2.277 3.470 0.008 6 0 "[ . 1]" 1
369 1 12 VAL MG1 1 27 TRP HA 2.715 . 3.636 3.694 3.645 3.779 0.143 3 0 "[ . 1]" 1
370 1 11 GLY HA3 1 12 VAL MG1 2.726 . 3.655 3.754 3.708 3.793 0.138 7 0 "[ . 1]" 1
371 1 12 VAL MG2 1 13 LEU HA 2.642 . 3.514 3.256 3.144 3.366 . 0 0 "[ . 1]" 1
372 1 11 GLY HA2 1 12 VAL MG1 2.812 . 3.800 3.289 3.243 3.392 . 0 0 "[ . 1]" 1
373 1 12 VAL MG2 1 25 PRO HG3 2.950 . 4.038 4.167 4.086 4.227 0.189 3 0 "[ . 1]" 1
374 1 12 VAL HB 1 12 VAL MG2 1.844 . 2.269 2.133 2.127 2.137 . 0 0 "[ . 1]" 1
375 1 12 VAL HB 1 12 VAL MG1 1.850 . 2.278 2.106 2.101 2.114 . 0 0 "[ . 1]" 1
376 1 12 VAL MG1 1 12 VAL MG2 1.703 . 2.066 2.094 2.086 2.102 0.036 3 0 "[ . 1]" 1
377 1 13 LEU HA 1 13 LEU HB3 2.714 . 3.635 2.986 2.925 3.003 . 0 0 "[ . 1]" 1
378 1 13 LEU HA 1 13 LEU HB2 2.597 . 3.440 2.616 2.525 2.787 . 0 0 "[ . 1]" 1
379 1 13 LEU HA 1 13 LEU HG 2.819 . 3.812 3.266 3.218 3.368 . 0 0 "[ . 1]" 1
380 1 13 LEU HA 1 14 TYR H 2.359 . 3.054 2.150 2.134 2.180 . 0 0 "[ . 1]" 1
381 1 32 ASN HA 1 33 GLY H 2.367 . 3.067 2.944 2.871 3.062 . 0 0 "[ . 1]" 1
382 1 13 LEU HA 1 13 LEU MD2 2.652 . 3.531 3.635 3.567 3.699 0.168 10 0 "[ . 1]" 1
383 1 13 LEU H 1 13 LEU HB2 3.090 . 4.283 2.732 2.515 2.865 . 0 0 "[ . 1]" 1
384 1 13 LEU HB3 1 13 LEU HG 2.565 . 3.388 2.311 2.272 2.354 . 0 0 "[ . 1]" 1
385 1 13 LEU HB2 1 13 LEU HG 2.433 . 3.173 2.980 2.953 3.003 . 0 0 "[ . 1]" 1
386 1 13 LEU MD1 1 13 LEU MD2 1.831 . 2.250 2.003 1.958 2.024 . 0 0 "[ . 1]" 1
387 1 13 LEU HB3 1 13 LEU MD1 2.193 . 2.794 3.150 3.127 3.170 0.376 3 0 "[ . 1]" 1
388 1 13 LEU MD1 1 13 LEU HG 2.056 . 2.584 2.113 2.100 2.117 . 0 0 "[ . 1]" 1
389 1 13 LEU HB2 1 13 LEU MD1 2.298 . 2.958 2.596 2.483 2.744 . 0 0 "[ . 1]" 1
390 1 13 LEU HA 1 13 LEU MD1 2.121 . 2.684 1.927 1.859 2.008 . 0 0 "[ . 1]" 1
391 1 13 LEU MD1 1 92 TRP HD1 2.489 . 3.263 2.882 2.691 3.099 . 0 0 "[ . 1]" 1
392 1 13 LEU MD1 1 92 TRP HZ2 2.953 . 4.043 3.962 3.661 4.087 0.044 8 0 "[ . 1]" 1
393 1 13 LEU H 1 13 LEU MD1 3.233 . 4.539 4.102 3.923 4.179 . 0 0 "[ . 1]" 1
394 1 13 LEU MD1 1 83 ALA H 3.043 . 4.200 3.724 3.474 3.876 . 0 0 "[ . 1]" 1
395 1 13 LEU MD1 1 14 TYR H 2.425 . 3.160 2.510 2.398 2.836 . 0 0 "[ . 1]" 1
396 1 13 LEU MD1 1 92 TRP HE1 2.442 . 3.187 2.351 2.202 2.523 . 0 0 "[ . 1]" 1
397 1 13 LEU HB3 1 13 LEU MD2 2.329 . 3.007 2.555 2.451 2.724 . 0 0 "[ . 1]" 1
398 1 13 LEU MD2 1 13 LEU HG 2.124 . 2.688 2.116 2.110 2.120 . 0 0 "[ . 1]" 1
399 1 13 LEU HB2 1 13 LEU MD2 2.223 . 2.841 2.155 2.126 2.186 . 0 0 "[ . 1]" 1
400 1 13 LEU MD2 1 92 TRP HZ2 2.859 . 3.881 3.439 3.143 3.621 . 0 0 "[ . 1]" 1
401 1 13 LEU MD2 1 92 TRP HD1 2.969 . 4.071 3.624 3.484 3.782 . 0 0 "[ . 1]" 1
402 1 13 LEU MD2 1 92 TRP HE3 2.783 . 3.751 3.875 3.813 4.009 0.258 2 0 "[ . 1]" 1
403 1 13 LEU MD2 1 28 PHE QD 2.660 . 3.544 2.400 2.226 2.677 . 0 0 "[ . 1]" 1
404 1 13 LEU H 1 13 LEU MD2 3.089 . 4.282 4.400 4.253 4.446 0.164 7 0 "[ . 1]" 1
405 1 13 LEU MD2 1 92 TRP HE1 2.947 . 4.033 3.230 3.020 3.385 . 0 0 "[ . 1]" 1
406 1 14 TYR HA 1 15 LYS H 2.734 . 3.669 2.300 2.270 2.367 . 0 0 "[ . 1]" 1
407 1 14 TYR H 1 14 TYR HB2 2.779 . 3.744 2.319 2.227 2.471 . 0 0 "[ . 1]" 1
408 1 14 TYR H 1 14 TYR HB3 3.245 . 4.561 3.556 3.526 3.593 . 0 0 "[ . 1]" 1
409 1 14 TYR HB2 1 82 LYS HB2 3.110 . 4.319 4.045 2.933 4.380 0.061 1 0 "[ . 1]" 1
410 1 14 TYR HB3 1 82 LYS HB3 2.857 . 3.878 3.029 2.774 4.223 0.345 9 0 "[ . 1]" 1
411 1 15 LYS HA 1 16 TRP H 2.579 . 3.410 2.216 2.085 2.332 . 0 0 "[ . 1]" 1
412 1 15 LYS HA 1 15 LYS HD3 2.808 . 3.794 3.648 2.243 4.688 0.894 1 3 "[+ *. -]" 1
413 1 15 LYS HA 1 81 MET HA 2.682 . 3.581 1.987 1.775 3.531 0.008 8 0 "[ . 1]" 1
414 1 15 LYS H 1 15 LYS QB 2.962 . 4.059 2.587 2.272 2.896 . 0 0 "[ . 1]" 1
415 1 15 LYS QB 1 16 TRP H 3.277 . 4.619 2.986 2.429 3.566 . 0 0 "[ . 1]" 1
416 1 15 LYS QB 1 15 LYS HD3 2.651 . 3.529 2.681 2.238 3.286 . 0 0 "[ . 1]" 1
417 1 15 LYS QB 1 15 LYS HD2 2.956 . 4.033 2.707 2.274 3.436 . 0 0 "[ . 1]" 1
418 1 15 LYS HD2 1 15 LYS HE2 2.583 . 3.417 2.726 2.403 3.016 . 0 0 "[ . 1]" 1
419 1 15 LYS HD2 1 15 LYS HE3 2.484 . 3.255 2.515 2.392 3.017 . 0 0 "[ . 1]" 1
420 1 15 LYS HD3 1 15 LYS HE2 2.497 . 3.277 2.660 2.369 3.020 . 0 0 "[ . 1]" 1
421 1 15 LYS HD3 1 15 LYS HE3 2.453 . 3.205 2.731 2.411 3.018 . 0 0 "[ . 1]" 1
422 1 16 TRP HA 1 17 THR H 2.681 . 3.579 2.163 2.126 2.261 . 0 0 "[ . 1]" 1
423 1 16 TRP H 1 16 TRP HA 2.893 . 3.939 2.877 2.761 2.940 . 0 0 "[ . 1]" 1
424 1 16 TRP HA 1 16 TRP HB2 2.693 . 3.599 2.436 2.379 2.487 . 0 0 "[ . 1]" 1
425 1 16 TRP HA 1 17 THR MG 2.891 . 3.936 3.923 3.807 4.042 0.106 2 0 "[ . 1]" 1
426 1 16 TRP HA 1 16 TRP HB3 2.767 . 3.724 3.029 3.019 3.035 . 0 0 "[ . 1]" 1
427 1 16 TRP HB3 1 80 TYR HB3 2.818 . 3.811 3.389 2.799 4.389 0.578 2 1 "[ + . 1]" 1
428 1 16 TRP H 1 16 TRP HB3 2.937 . 4.015 2.407 2.275 2.654 . 0 0 "[ . 1]" 1
429 1 16 TRP H 1 16 TRP HB2 3.011 . 4.144 2.751 2.503 3.024 . 0 0 "[ . 1]" 1
430 1 17 THR HA 1 17 THR HB 2.246 . 2.877 2.538 2.441 2.676 . 0 0 "[ . 1]" 1
431 1 17 THR HA 1 17 THR MG 2.039 . 2.559 2.274 2.140 2.357 . 0 0 "[ . 1]" 1
432 1 21 THR HB 1 21 THR MG 1.807 . 2.215 2.127 2.121 2.130 . 0 0 "[ . 1]" 1
433 1 17 THR HB 1 17 THR MG 2.039 . 2.559 2.135 2.129 2.138 . 0 0 "[ . 1]" 1
434 1 17 THR MG 1 24 GLN HG2 2.342 . 3.027 2.910 2.441 3.120 0.093 8 0 "[ . 1]" 1
435 1 17 THR MG 1 24 GLN HB2 2.261 . 2.900 2.466 1.826 2.982 0.082 3 0 "[ . 1]" 1
436 1 17 THR MG 1 24 GLN HG3 2.401 . 3.121 2.431 1.845 2.797 . 0 0 "[ . 1]" 1
437 1 17 THR H 1 17 THR MG 2.846 . 3.858 2.614 2.320 3.407 . 0 0 "[ . 1]" 1
438 1 17 THR MG 1 24 GLN H 3.152 . 4.394 3.710 3.014 4.471 0.077 6 0 "[ . 1]" 1
439 1 16 TRP HE1 1 18 ASN HA 3.000 . 4.125 3.416 2.534 4.165 0.040 9 0 "[ . 1]" 1
440 1 18 ASN HA 1 18 ASN HB3 2.746 . 3.689 2.828 2.484 3.037 . 0 0 "[ . 1]" 1
441 1 18 ASN HA 1 18 ASN HB2 2.761 . 3.714 2.701 2.469 3.029 . 0 0 "[ . 1]" 1
442 1 16 TRP HH2 1 19 TYR HA 2.711 . 3.629 3.355 2.714 3.673 0.044 5 0 "[ . 1]" 1
443 1 20 LEU HB2 1 21 THR H 2.593 . 3.434 2.186 1.814 3.400 . 0 0 "[ . 1]" 1
444 1 20 LEU HB3 1 21 THR H 2.545 . 3.355 2.929 2.270 3.385 0.030 1 0 "[ . 1]" 1
445 1 20 LEU H 1 20 LEU HB2 2.466 . 3.226 2.432 2.197 2.653 . 0 0 "[ . 1]" 1
446 1 20 LEU H 1 20 LEU HB3 2.443 . 3.189 3.487 3.457 3.517 0.328 6 0 "[ . 1]" 1
447 1 20 LEU HB3 1 21 THR MG 2.549 . 3.361 2.727 2.301 3.087 . 0 0 "[ . 1]" 1
448 1 20 LEU HA 1 21 THR H 2.709 . 3.626 3.394 2.370 3.555 . 0 0 "[ . 1]" 1
449 1 20 LEU HB3 1 20 LEU HG 2.194 . 2.796 2.923 2.421 2.984 0.188 4 0 "[ . 1]" 1
450 1 20 LEU HB2 1 20 LEU HG 2.142 . 2.715 2.474 2.389 2.968 0.253 9 0 "[ . 1]" 1
451 1 20 LEU HA 1 20 LEU HG 2.471 . 3.234 3.071 2.436 3.267 0.033 1 0 "[ . 1]" 1
452 1 20 LEU H 1 20 LEU HG 2.508 . 3.295 2.273 1.871 3.589 0.294 9 0 "[ . 1]" 1
453 1 20 LEU HA 1 20 LEU QD 1.827 . 2.244 2.021 1.906 2.386 0.142 9 0 "[ . 1]" 1
454 1 19 TYR QE 1 20 LEU QD 2.507 . 3.293 3.106 2.717 3.332 0.039 7 0 "[ . 1]" 1
455 1 20 LEU QD 1 21 THR H 3.036 . 4.139 3.665 3.287 3.804 . 0 0 "[ . 1]" 1
456 1 20 LEU H 1 20 LEU QD 2.710 . 3.589 2.767 1.834 3.225 . 0 0 "[ . 1]" 1
457 1 20 LEU QD 1 20 LEU HG 1.833 . 2.253 1.889 1.882 1.893 . 0 0 "[ . 1]" 1
458 1 20 LEU HB3 1 20 LEU QD 1.965 . 2.448 2.115 2.089 2.284 . 0 0 "[ . 1]" 1
459 1 20 LEU HB2 1 20 LEU QD 1.950 . 2.425 2.283 2.125 2.335 . 0 0 "[ . 1]" 1
460 1 21 THR HA 1 21 THR MG 1.898 . 2.348 2.319 2.274 2.384 0.036 6 0 "[ . 1]" 1
461 1 21 THR H 1 21 THR HA 2.356 . 3.050 2.822 2.233 2.919 . 0 0 "[ . 1]" 1
462 1 21 THR HA 1 21 THR HB 1.831 . 2.250 2.432 2.321 2.484 0.234 8 0 "[ . 1]" 1
463 1 21 THR HB 1 24 GLN HG2 2.817 . 3.809 3.382 2.605 3.833 0.024 7 0 "[ . 1]" 1
464 1 21 THR HA 1 24 GLN HE21 3.110 . 4.319 3.991 2.881 4.372 0.053 9 0 "[ . 1]" 1
465 1 21 THR HB 1 24 GLN HE21 2.983 . 4.095 2.253 1.945 3.451 . 0 0 "[ . 1]" 1
466 1 21 THR HB 1 24 GLN HE22 2.813 . 3.802 3.404 2.971 3.825 0.023 7 0 "[ . 1]" 1
467 1 21 THR H 1 21 THR HB 2.498 . 3.278 3.571 3.496 3.745 0.467 6 0 "[ . 1]" 1
468 1 21 THR H 1 21 THR MG 2.220 . 2.836 2.420 2.122 2.839 0.003 8 0 "[ . 1]" 1
469 1 21 THR MG 1 24 GLN HE21 3.014 . 4.150 3.365 2.408 4.478 0.328 3 0 "[ . 1]" 1
470 1 29 VAL QG 1 38 TYR QE 2.826 . 2.919 1.671 1.624 1.737 0.204 9 0 "[ . 1]" 1
471 1 29 VAL HB 1 29 VAL QG 2.017 . 2.526 1.854 1.833 1.867 . 0 0 "[ . 1]" 1
472 1 10 GLU HB2 1 29 VAL QG 2.654 . 3.371 2.896 2.565 3.084 . 0 0 "[ . 1]" 1
473 1 10 GLU HB3 1 29 VAL QG 2.678 . 3.071 1.918 1.722 2.577 0.060 7 0 "[ . 1]" 1
474 1 20 LEU HB2 1 21 THR MG 2.238 . 2.864 2.845 2.543 3.320 0.456 9 0 "[ . 1]" 1
475 1 23 TRP H 1 23 TRP HB2 3.001 . 4.127 3.704 3.366 4.073 . 0 0 "[ . 1]" 1
476 1 22 GLY HA3 1 23 TRP HB3 2.933 . 4.008 4.090 4.028 4.188 0.180 3 0 "[ . 1]" 1
477 1 24 GLN HB2 1 24 GLN HG2 1.964 . 2.446 2.464 2.420 2.498 0.052 3 0 "[ . 1]" 1
478 1 25 PRO HA 1 25 PRO HB2 2.539 . 3.345 2.744 2.681 2.892 . 0 0 "[ . 1]" 1
479 1 25 PRO HA 1 25 PRO HB3 2.559 . 3.378 2.284 2.256 2.307 . 0 0 "[ . 1]" 1
480 1 12 VAL MG2 1 25 PRO HA 2.616 . 3.472 3.074 2.741 3.497 0.025 8 0 "[ . 1]" 1
481 1 12 VAL MG2 1 25 PRO HB2 2.283 . 2.935 2.654 2.354 3.061 0.126 4 0 "[ . 1]" 1
482 1 12 VAL MG2 1 25 PRO HB3 2.513 . 3.302 2.580 2.316 2.897 . 0 0 "[ . 1]" 1
483 1 25 PRO HB2 1 25 PRO HG2 2.328 . 3.006 2.303 2.281 2.317 . 0 0 "[ . 1]" 1
484 1 25 PRO HB2 1 25 PRO HG3 2.396 . 3.113 2.700 2.650 2.951 . 0 0 "[ . 1]" 1
485 1 25 PRO HD2 1 25 PRO HG3 2.492 . 3.268 2.743 2.674 2.993 . 0 0 "[ . 1]" 1
486 1 25 PRO HA 1 26 ARG H 2.279 . 2.928 2.145 2.126 2.175 . 0 0 "[ . 1]" 1
487 1 14 TYR HA 1 25 PRO HA 2.657 . 3.540 1.980 1.820 2.194 . 0 0 "[ . 1]" 1
488 1 14 TYR QD 1 25 PRO HB3 3.128 . 4.351 2.928 2.355 3.389 . 0 0 "[ . 1]" 1
489 1 14 TYR QD 1 25 PRO HB2 3.344 . 4.742 4.252 3.716 4.764 0.022 1 0 "[ . 1]" 1
490 1 26 ARG HB2 1 26 ARG HG2 2.824 . 3.821 2.740 2.429 3.017 . 0 0 "[ . 1]" 1
491 1 26 ARG HB3 1 26 ARG HG2 2.461 . 3.218 2.601 2.331 3.015 . 0 0 "[ . 1]" 1
492 1 26 ARG HB2 1 26 ARG HD2 2.742 . 3.682 3.146 2.364 3.762 0.080 8 0 "[ . 1]" 1
493 1 26 ARG HB3 1 26 ARG HD2 2.903 . 3.956 3.045 2.485 3.800 . 0 0 "[ . 1]" 1
494 1 68 ARG HA 1 68 ARG HG3 2.828 . 3.828 3.300 2.424 4.219 0.391 1 0 "[ . 1]" 1
495 1 27 TRP HA 1 28 PHE H 2.283 . 2.934 2.120 2.079 2.166 . 0 0 "[ . 1]" 1
496 1 69 MET H 1 69 MET HA 2.311 . 2.978 2.881 2.828 2.951 . 0 0 "[ . 1]" 1
497 1 28 PHE HA 1 28 PHE HB3 2.813 . 3.802 2.807 2.760 2.869 . 0 0 "[ . 1]" 1
498 1 28 PHE HA 1 28 PHE HB2 2.983 . 4.095 2.905 2.853 2.936 . 0 0 "[ . 1]" 1
499 1 28 PHE HA 1 35 LEU MD2 2.755 . 3.703 3.339 3.150 3.440 . 0 0 "[ . 1]" 1
500 1 28 PHE HB2 1 35 LEU MD2 2.790 . 3.763 3.831 3.778 3.885 0.122 7 0 "[ . 1]" 1
501 1 28 PHE HB2 1 28 PHE QD 3.071 . 4.250 2.702 2.650 2.739 . 0 0 "[ . 1]" 1
502 1 28 PHE HB3 1 28 PHE QD 3.032 . 4.181 2.245 2.215 2.273 . 0 0 "[ . 1]" 1
503 1 28 PHE H 1 28 PHE HB2 2.834 . 3.838 2.401 2.150 2.627 . 0 0 "[ . 1]" 1
504 1 28 PHE H 1 28 PHE HB3 2.863 . 3.887 3.349 3.265 3.446 . 0 0 "[ . 1]" 1
505 1 28 PHE HB3 1 92 TRP HZ2 2.931 . 4.005 3.052 2.858 3.207 . 0 0 "[ . 1]" 1
506 1 13 LEU MD2 1 28 PHE HB3 2.877 . 3.911 3.159 2.913 3.320 . 0 0 "[ . 1]" 1
507 1 13 LEU MD2 1 28 PHE HB2 3.094 . 4.291 3.187 2.844 3.382 . 0 0 "[ . 1]" 1
508 1 29 VAL H 1 29 VAL HB 2.802 . 3.783 3.675 3.594 3.859 0.076 8 0 "[ . 1]" 1
509 1 27 TRP HD1 1 29 VAL QG 2.353 . 3.045 2.961 2.578 3.087 0.042 4 0 "[ . 1]" 1
510 1 27 TRP HZ2 1 29 VAL QG 2.532 . 3.333 3.340 3.286 3.435 0.102 8 0 "[ . 1]" 1
511 1 29 VAL QG 1 38 TYR QD 2.494 . 3.272 2.433 1.973 2.851 . 0 0 "[ . 1]" 1
512 1 29 VAL H 1 29 VAL QG 2.446 . 3.194 2.412 2.219 2.532 . 0 0 "[ . 1]" 1
513 1 27 TRP HE1 1 29 VAL QG 2.120 . 2.682 1.915 1.812 2.028 . 0 0 "[ . 1]" 1
514 1 29 VAL QG 1 30 LEU H 3.194 . 3.570 2.469 2.357 2.929 . 0 0 "[ . 1]" 1
515 1 10 GLU QG 1 29 VAL QG 2.795 . 3.771 3.133 2.981 3.480 . 0 0 "[ . 1]" 1
516 1 29 VAL MG1 1 29 VAL MG2 1.520 . 1.809 2.016 1.976 2.034 0.225 6 0 "[ . 1]" 1
517 1 30 LEU HA 1 30 LEU HB2 2.865 . 3.891 2.404 2.380 2.433 . 0 0 "[ . 1]" 1
518 1 30 LEU HA 1 35 LEU HG 2.879 . 3.915 3.117 2.768 3.374 . 0 0 "[ . 1]" 1
519 1 30 LEU HA 1 30 LEU HB3 2.904 . 3.958 3.010 3.003 3.014 . 0 0 "[ . 1]" 1
520 1 30 LEU HB2 1 35 LEU HG 2.719 . 3.643 2.123 2.079 2.163 . 0 0 "[ . 1]" 1
521 1 30 LEU HB3 1 35 LEU HG 2.806 . 3.790 3.846 3.787 3.888 0.098 4 0 "[ . 1]" 1
522 1 30 LEU HB2 1 92 TRP HZ3 2.812 . 3.801 2.188 2.136 2.300 . 0 0 "[ . 1]" 1
523 1 9 MET H 1 30 LEU HB2 3.072 . 4.251 3.839 3.706 4.020 . 0 0 "[ . 1]" 1
524 1 9 MET H 1 30 LEU HB3 3.075 . 4.257 2.121 1.979 2.318 . 0 0 "[ . 1]" 1
525 1 30 LEU HB3 1 30 LEU MD1 2.203 . 2.810 2.353 2.309 2.376 . 0 0 "[ . 1]" 1
526 1 30 LEU MD2 1 54 MET HG2 2.253 . 2.887 2.698 2.328 3.141 0.254 5 0 "[ . 1]" 1
527 1 30 LEU MD2 1 35 LEU HG 2.038 . 2.557 2.419 2.074 2.575 0.018 10 0 "[ . 1]" 1
528 1 30 LEU MD2 1 35 LEU HB2 2.086 . 2.630 2.434 2.203 2.650 0.020 1 0 "[ . 1]" 1
529 1 30 LEU MD2 1 96 LEU MD2 1.897 . 2.347 1.916 1.846 2.037 . 0 0 "[ . 1]" 1
530 1 30 LEU MD2 1 54 MET HG3 2.481 . 3.250 3.032 2.552 3.269 0.019 9 0 "[ . 1]" 1
531 1 30 LEU MD2 1 35 LEU HA 2.541 . 3.348 2.937 2.798 3.146 . 0 0 "[ . 1]" 1
532 1 30 LEU HA 1 30 LEU MD2 2.259 . 2.897 2.293 2.223 2.322 . 0 0 "[ . 1]" 1
533 1 30 LEU MD2 1 34 ILE H 2.673 . 3.566 3.569 3.490 3.637 0.071 8 0 "[ . 1]" 1
534 1 30 LEU MD2 1 31 ASP H 2.334 . 3.015 2.706 2.517 2.875 . 0 0 "[ . 1]" 1
535 1 30 LEU HA 1 30 LEU HG 2.810 . 3.797 3.856 3.829 3.878 0.081 5 0 "[ . 1]" 1
536 1 30 LEU HG 1 92 TRP HE3 2.929 . 4.002 4.085 4.048 4.118 0.116 2 0 "[ . 1]" 1
537 1 9 MET H 1 30 LEU HG 2.691 . 3.596 3.901 3.834 3.966 0.370 4 0 "[ . 1]" 1
538 1 30 LEU H 1 30 LEU HG 2.947 . 4.033 4.376 4.360 4.406 0.373 8 0 "[ . 1]" 1
539 1 30 LEU HG 1 96 LEU HA 2.277 . 2.925 3.034 2.994 3.086 0.161 2 0 "[ . 1]" 1
540 1 30 LEU HG 1 96 LEU HG 2.583 . 3.417 3.305 3.145 3.438 0.021 3 0 "[ . 1]" 1
541 1 30 LEU HB3 1 30 LEU HG 2.103 . 2.656 2.414 2.398 2.447 . 0 0 "[ . 1]" 1
542 1 30 LEU HB2 1 30 LEU HG 2.024 . 2.536 2.323 2.307 2.338 . 0 0 "[ . 1]" 1
543 1 30 LEU HG 1 95 ALA MB 2.040 . 2.560 2.709 2.646 2.740 0.180 5 0 "[ . 1]" 1
544 1 30 LEU HG 1 96 LEU MD2 1.984 . 2.476 2.454 2.340 2.506 0.030 7 0 "[ . 1]" 1
545 1 31 ASP H 1 31 ASP HA 2.849 . 3.864 2.916 2.875 2.952 . 0 0 "[ . 1]" 1
546 1 31 ASP HA 1 32 ASN H 2.402 . 3.123 2.131 2.097 2.188 . 0 0 "[ . 1]" 1
547 1 8 PHE QD 1 31 ASP HA 2.927 . 3.998 2.882 2.019 3.999 0.001 9 0 "[ . 1]" 1
548 1 31 ASP HA 1 32 ASN HA 3.025 . 4.169 4.302 4.289 4.316 0.147 3 0 "[ . 1]" 1
549 1 32 ASN H 1 32 ASN HA 2.315 . 2.985 2.239 2.233 2.246 . 0 0 "[ . 1]" 1
550 1 32 ASN HB2 1 32 ASN HD22 2.632 . 3.498 3.495 3.395 3.703 0.205 3 0 "[ . 1]" 1
551 1 32 ASN HB3 1 32 ASN HD22 2.672 . 3.565 3.715 3.448 3.938 0.373 8 0 "[ . 1]" 1
552 1 32 ASN HB2 1 32 ASN HD21 2.429 . 3.166 2.322 2.118 2.832 . 0 0 "[ . 1]" 1
553 1 32 ASN HB3 1 32 ASN HD21 2.449 . 3.199 2.835 2.213 3.354 0.155 8 0 "[ . 1]" 1
554 1 32 ASN H 1 32 ASN HB2 2.958 . 4.052 3.487 3.423 3.552 . 0 0 "[ . 1]" 1
555 1 32 ASN HB2 1 33 GLY H 2.960 . 4.055 4.048 3.900 4.113 0.058 6 0 "[ . 1]" 1
556 1 32 ASN H 1 32 ASN HB3 2.874 . 3.907 4.044 4.035 4.054 0.147 10 0 "[ . 1]" 1
557 1 32 ASN HA 1 32 ASN HB2 2.252 . 2.886 2.999 2.990 3.006 0.120 4 0 "[ . 1]" 1
558 1 33 GLY H 1 33 GLY HA3 2.552 . 3.366 2.919 2.885 2.939 . 0 0 "[ . 1]" 1
559 1 33 GLY H 1 33 GLY HA2 2.435 . 3.176 2.359 2.319 2.398 . 0 0 "[ . 1]" 1
560 1 33 GLY HA2 1 34 ILE H 2.822 . 3.818 3.478 3.434 3.506 . 0 0 "[ . 1]" 1
561 1 30 LEU MD2 1 33 GLY HA2 2.778 . 3.742 2.502 2.115 2.931 . 0 0 "[ . 1]" 1
562 1 33 GLY HA3 1 34 ILE MD 2.821 . 3.816 3.051 2.905 3.145 . 0 0 "[ . 1]" 1
563 1 34 ILE H 1 34 ILE HB 2.367 . 3.067 2.105 2.060 2.183 . 0 0 "[ . 1]" 1
564 1 34 ILE H 1 34 ILE HG12 2.586 . 3.422 3.577 3.541 3.611 0.189 5 0 "[ . 1]" 1
565 1 34 ILE H 1 34 ILE HG13 2.719 . 3.676 3.996 3.942 4.084 0.408 5 0 "[ . 1]" 1
566 1 34 ILE H 1 34 ILE MG 2.480 . 3.249 3.533 3.490 3.586 0.337 1 0 "[ . 1]" 1
567 1 34 ILE H 1 34 ILE MD 2.599 . 3.443 2.239 2.103 2.379 . 0 0 "[ . 1]" 1
568 1 34 ILE MD 1 54 MET H 2.618 . 3.475 3.587 3.519 3.658 0.183 3 0 "[ . 1]" 1
569 1 34 ILE MD 1 35 LEU H 2.771 . 3.731 3.863 3.813 3.936 0.205 1 0 "[ . 1]" 1
570 1 34 ILE MD 1 53 LYS HA 2.224 . 2.842 2.483 2.395 2.568 . 0 0 "[ . 1]" 1
571 1 33 GLY HA2 1 34 ILE MD 2.999 . 4.123 4.087 3.979 4.167 0.044 4 0 "[ . 1]" 1
572 1 32 ASN HB2 1 34 ILE MD 2.795 . 3.771 3.815 3.775 3.865 0.094 8 0 "[ . 1]" 1
573 1 32 ASN HB3 1 34 ILE MD 2.956 . 4.048 3.960 3.786 4.088 0.040 1 0 "[ . 1]" 1
574 1 34 ILE HB 1 34 ILE MD 2.089 . 2.634 2.667 2.647 2.682 0.048 5 0 "[ . 1]" 1
575 1 34 ILE MD 1 34 ILE HG13 1.780 . 2.176 2.107 2.103 2.111 . 0 0 "[ . 1]" 1
576 1 34 ILE MD 1 53 LYS HG2 2.190 . 2.789 2.580 2.301 2.756 . 0 0 "[ . 1]" 1
577 1 34 ILE MD 1 34 ILE HG12 1.912 . 2.369 2.109 2.106 2.112 . 0 0 "[ . 1]" 1
578 1 34 ILE HB 1 34 ILE HG13 2.270 . 2.914 2.975 2.961 2.986 0.072 3 0 "[ . 1]" 1
579 1 34 ILE HB 1 34 ILE HG12 2.428 . 3.165 2.311 2.290 2.329 . 0 0 "[ . 1]" 1
580 1 34 ILE HB 1 34 ILE MG 1.862 . 2.295 2.109 2.106 2.113 . 0 0 "[ . 1]" 1
581 1 59 ILE MD 1 61 VAL HB 2.689 . 3.593 3.725 3.609 3.826 0.233 4 0 "[ . 1]" 1
582 1 59 ILE HB 1 59 ILE MD 1.859 . 2.291 2.270 2.203 2.347 0.056 1 0 "[ . 1]" 1
583 1 34 ILE HG13 1 34 ILE MG 1.829 . 2.247 2.239 2.215 2.263 0.016 6 0 "[ . 1]" 1
584 1 34 ILE HG12 1 34 ILE MG 2.009 . 2.514 2.530 2.519 2.542 0.028 5 0 "[ . 1]" 1
585 1 35 LEU HA 1 36 SER H 2.510 . 3.297 2.213 2.184 2.234 . 0 0 "[ . 1]" 1
586 1 30 LEU HA 1 35 LEU HA 2.689 . 3.593 1.934 1.814 2.111 . 0 0 "[ . 1]" 1
587 1 35 LEU HA 1 35 LEU HB3 2.872 . 3.903 2.976 2.952 2.993 . 0 0 "[ . 1]" 1
588 1 35 LEU HA 1 35 LEU HG 2.913 . 3.974 2.817 2.756 2.912 . 0 0 "[ . 1]" 1
589 1 35 LEU HA 1 35 LEU HB2 2.739 . 3.677 2.685 2.652 2.730 . 0 0 "[ . 1]" 1
590 1 31 ASP H 1 35 LEU HA 3.022 . 4.164 3.261 3.061 3.389 . 0 0 "[ . 1]" 1
591 1 35 LEU HB2 1 52 ILE HB 2.685 . 3.586 3.320 2.900 3.556 . 0 0 "[ . 1]" 1
592 1 35 LEU H 1 35 LEU HB2 2.983 . 4.095 2.434 2.276 2.596 . 0 0 "[ . 1]" 1
593 1 35 LEU H 1 35 LEU HB3 3.091 . 4.286 2.843 2.773 2.925 . 0 0 "[ . 1]" 1
594 1 28 PHE QD 1 35 LEU HG 2.975 . 4.081 3.831 3.598 4.086 0.005 3 0 "[ . 1]" 1
595 1 35 LEU HA 1 35 LEU MD2 2.177 . 2.770 2.008 1.941 2.076 . 0 0 "[ . 1]" 1
596 1 30 LEU HA 1 35 LEU MD2 2.519 . 3.312 2.681 2.624 2.804 . 0 0 "[ . 1]" 1
597 1 28 PHE QD 1 35 LEU MD2 2.479 . 3.247 1.975 1.798 2.133 . 0 0 "[ . 1]" 1
598 1 29 VAL H 1 35 LEU MD2 2.773 . 3.735 2.557 2.346 2.680 . 0 0 "[ . 1]" 1
599 1 35 LEU MD2 1 36 SER H 2.478 . 3.245 2.467 2.390 2.695 . 0 0 "[ . 1]" 1
600 1 31 ASP H 1 35 LEU MD2 3.170 . 4.426 4.422 4.268 4.491 0.065 9 0 "[ . 1]" 1
601 1 30 LEU H 1 35 LEU MD2 3.128 . 4.351 3.169 3.092 3.278 . 0 0 "[ . 1]" 1
602 1 28 PHE HB3 1 35 LEU MD2 2.582 . 3.416 2.418 2.328 2.537 . 0 0 "[ . 1]" 1
603 1 35 LEU HB3 1 35 LEU MD2 2.271 . 2.915 2.618 2.542 2.698 . 0 0 "[ . 1]" 1
604 1 35 LEU MD2 1 35 LEU HG 2.011 . 2.517 2.118 2.115 2.121 . 0 0 "[ . 1]" 1
605 1 35 LEU MD1 1 35 LEU MD2 1.728 . 2.101 2.096 2.088 2.102 0.001 8 0 "[ . 1]" 1
606 1 71 LEU HA 1 71 LEU MD1 2.226 . 2.845 1.908 1.828 2.011 . 0 0 "[ . 1]" 1
607 1 35 LEU HA 1 35 LEU MD1 2.808 . 3.794 3.831 3.808 3.844 0.050 9 0 "[ . 1]" 1
608 1 35 LEU HB3 1 35 LEU MD1 2.272 . 2.917 2.191 2.167 2.216 . 0 0 "[ . 1]" 1
609 1 35 LEU MD1 1 35 LEU HG 2.132 . 2.700 2.106 2.100 2.112 . 0 0 "[ . 1]" 1
610 1 35 LEU HB2 1 35 LEU MD1 2.010 . 2.515 2.517 2.461 2.569 0.054 10 0 "[ . 1]" 1
611 1 36 SER HA 1 36 SER HB3 2.591 . 3.430 2.727 2.412 3.026 . 0 0 "[ . 1]" 1
612 1 36 SER HA 1 36 SER HB2 2.747 . 3.690 2.764 2.472 3.026 . 0 0 "[ . 1]" 1
613 1 34 ILE MG 1 51 SER QB 2.108 . 2.663 1.936 1.773 2.371 . 0 0 "[ . 1]" 1
614 1 51 SER QB 1 52 ILE H 2.415 . 3.144 2.900 2.612 3.243 0.099 6 0 "[ . 1]" 1
615 1 36 SER HB3 1 37 TYR H 3.114 . 4.326 3.150 2.468 3.785 . 0 0 "[ . 1]" 1
616 1 36 SER HB2 1 37 TYR H 2.881 . 3.918 3.829 3.568 3.974 0.056 10 0 "[ . 1]" 1
617 1 36 SER H 1 36 SER HB2 2.939 . 4.019 2.684 2.550 2.843 . 0 0 "[ . 1]" 1
618 1 36 SER H 1 36 SER HB3 2.979 . 4.088 3.162 2.573 3.719 . 0 0 "[ . 1]" 1
619 1 36 SER HB3 1 38 TYR QE 2.859 . 3.881 3.048 2.357 3.591 . 0 0 "[ . 1]" 1
620 1 36 SER HB2 1 38 TYR QE 3.077 . 4.261 3.406 2.538 4.306 0.045 3 0 "[ . 1]" 1
621 1 37 TYR QB 1 38 TYR H 3.004 . 3.929 3.195 2.847 3.639 . 0 0 "[ . 1]" 1
622 1 40 SER HA 1 40 SER HB2 2.696 . 3.605 2.827 2.477 3.034 . 0 0 "[ . 1]" 1
623 1 40 SER HA 1 40 SER HB3 2.590 . 3.428 2.616 2.385 3.031 . 0 0 "[ . 1]" 1
624 1 72 ILE HG13 1 72 ILE MG 1.921 . 2.382 2.577 2.549 2.612 0.230 9 0 "[ . 1]" 1
625 1 41 GLN QB 1 41 GLN HG3 2.403 . 3.125 2.358 2.326 2.463 . 0 0 "[ . 1]" 1
626 1 41 GLN H 1 41 GLN QB 3.053 . 4.218 2.331 2.242 2.541 . 0 0 "[ . 1]" 1
627 1 41 GLN QB 1 41 GLN HE21 2.819 . 3.812 3.049 2.741 3.687 . 0 0 "[ . 1]" 1
628 1 27 TRP HH2 1 41 GLN QB 3.113 . 4.324 4.245 4.039 4.373 0.049 8 0 "[ . 1]" 1
629 1 41 GLN QB 1 41 GLN HG2 2.518 . 3.042 2.303 2.103 2.346 . 0 0 "[ . 1]" 1
630 1 41 GLN HE22 1 41 GLN HG2 2.622 . 3.481 3.662 3.432 4.033 0.552 8 2 "[ - . + 1]" 1
631 1 41 GLN HE22 1 41 GLN HG3 2.667 . 3.556 3.704 3.406 4.034 0.478 6 0 "[ . 1]" 1
632 1 41 GLN HE21 1 41 GLN HG3 2.519 . 3.312 2.779 2.158 3.451 0.139 7 0 "[ . 1]" 1
633 1 42 ASP H 1 42 ASP HA 2.513 . 3.303 2.902 2.887 2.914 . 0 0 "[ . 1]" 1
634 1 42 ASP HA 1 43 ASP H 2.633 . 3.500 3.373 3.339 3.408 . 0 0 "[ . 1]" 1
635 1 42 ASP HA 1 42 ASP HB3 2.183 . 2.779 2.646 2.434 2.997 0.218 7 0 "[ . 1]" 1
636 1 42 ASP HA 1 42 ASP HB2 2.030 . 2.545 2.493 2.378 2.986 0.441 9 0 "[ . 1]" 1
637 1 42 ASP HA 1 44 VAL MG2 2.881 . 3.919 3.851 3.587 3.973 0.054 4 0 "[ . 1]" 1
638 1 43 ASP H 1 43 ASP HB3 2.492 . 3.269 3.037 2.463 3.552 0.283 9 0 "[ . 1]" 1
639 1 40 SER H 1 43 ASP HB3 3.074 . 4.255 2.801 1.970 3.633 . 0 0 "[ . 1]" 1
640 1 43 ASP H 1 43 ASP HB2 2.581 . 3.414 2.436 2.284 2.591 . 0 0 "[ . 1]" 1
641 1 40 SER H 1 43 ASP HB2 2.857 . 3.878 2.393 2.087 3.163 . 0 0 "[ . 1]" 1
642 1 44 VAL H 1 44 VAL HA 2.441 . 3.186 2.679 2.658 2.696 . 0 0 "[ . 1]" 1
643 1 38 TYR QD 1 44 VAL HA 2.907 . 3.963 2.926 2.653 3.177 . 0 0 "[ . 1]" 1
644 1 44 VAL H 1 44 VAL HB 2.214 . 2.827 2.540 2.500 2.608 . 0 0 "[ . 1]" 1
645 1 29 VAL QG 1 44 VAL MG1 2.354 . 3.047 2.102 1.856 2.468 . 0 0 "[ . 1]" 1
646 1 44 VAL HB 1 44 VAL MG1 1.832 . 2.252 2.106 2.103 2.110 . 0 0 "[ . 1]" 1
647 1 44 VAL HA 1 44 VAL MG1 2.079 . 2.619 2.355 2.318 2.384 . 0 0 "[ . 1]" 1
648 1 27 TRP HD1 1 44 VAL MG1 2.938 . 4.017 4.010 3.796 4.110 0.093 3 0 "[ . 1]" 1
649 1 38 TYR QE 1 44 VAL MG1 2.704 . 3.618 3.114 2.134 3.486 . 0 0 "[ . 1]" 1
650 1 44 VAL H 1 44 VAL MG1 2.477 . 3.225 3.668 3.659 3.676 0.451 7 0 "[ . 1]" 1
651 1 27 TRP HZ2 1 44 VAL MG1 2.883 . 3.922 4.026 3.918 4.156 0.234 6 0 "[ . 1]" 1
652 1 44 VAL MG1 1 44 VAL MG2 1.654 . 1.996 2.043 2.033 2.050 0.054 9 0 "[ . 1]" 1
653 1 29 VAL QG 1 44 VAL MG2 2.175 . 2.766 2.778 2.672 2.892 0.126 6 0 "[ . 1]" 1
654 1 44 VAL HB 1 44 VAL MG2 1.865 . 2.300 2.121 2.117 2.124 . 0 0 "[ . 1]" 1
655 1 41 GLN HG2 1 44 VAL MG2 2.762 . 3.716 3.507 2.963 4.385 0.669 9 1 "[ . +1]" 1
656 1 41 GLN HA 1 44 VAL MG2 2.203 . 2.810 2.086 1.909 2.239 . 0 0 "[ . 1]" 1
657 1 44 VAL HA 1 44 VAL MG2 2.060 . 2.591 2.330 2.287 2.376 . 0 0 "[ . 1]" 1
658 1 27 TRP HD1 1 44 VAL MG2 2.327 . 3.004 2.568 2.430 2.713 . 0 0 "[ . 1]" 1
659 1 44 VAL H 1 44 VAL MG2 1.966 . 2.449 1.828 1.785 1.866 . 0 0 "[ . 1]" 1
660 1 38 TYR QD 1 44 VAL MG2 2.628 . 3.491 3.322 2.212 3.629 0.138 9 0 "[ . 1]" 1
661 1 27 TRP HE1 1 44 VAL MG2 2.285 . 2.938 1.788 1.690 1.954 . 0 0 "[ . 1]" 1
662 1 44 VAL MG1 1 45 CYS HA 2.699 . 3.610 3.375 3.215 3.462 . 0 0 "[ . 1]" 1
663 1 45 CYS HA 1 46 LYS H 2.898 . 3.948 3.570 3.523 3.619 . 0 0 "[ . 1]" 1
664 1 46 LYS H 1 46 LYS HA 2.610 . 3.461 2.928 2.835 2.953 . 0 0 "[ . 1]" 1
665 1 46 LYS HA 1 46 LYS QD 2.721 . 3.646 2.707 2.233 3.636 . 0 0 "[ . 1]" 1
666 1 47 GLY H 1 47 GLY HA3 2.766 . 3.722 2.619 2.297 2.840 . 0 0 "[ . 1]" 1
667 1 48 SER HA 1 49 LYS H 2.457 . 3.212 3.236 2.195 3.466 0.254 8 0 "[ . 1]" 1
668 1 48 SER HA 1 48 SER HB3 2.429 . 3.167 2.444 2.406 2.533 . 0 0 "[ . 1]" 1
669 1 48 SER HA 1 48 SER HB2 2.249 . 2.881 3.019 3.011 3.027 0.146 5 0 "[ . 1]" 1
670 1 48 SER HB2 1 50 GLY H 2.694 . 3.601 3.006 2.577 3.437 . 0 0 "[ . 1]" 1
671 1 48 SER HB3 1 50 GLY H 2.706 . 3.621 3.313 2.942 3.700 0.079 10 0 "[ . 1]" 1
672 1 48 SER HB2 1 49 LYS H 2.960 . 4.055 3.172 2.607 4.154 0.099 6 0 "[ . 1]" 1
673 1 48 SER HB3 1 49 LYS H 2.965 . 4.064 3.945 3.414 4.238 0.174 1 0 "[ . 1]" 1
674 1 49 LYS H 1 49 LYS HA 2.819 . 3.812 2.323 2.247 2.870 . 0 0 "[ . 1]" 1
675 1 49 LYS HA 1 50 GLY H 3.057 . 4.225 3.252 2.605 3.539 . 0 0 "[ . 1]" 1
676 1 49 LYS HA 1 49 LYS QB 2.302 . 2.965 2.438 2.367 2.515 . 0 0 "[ . 1]" 1
677 1 49 LYS H 1 49 LYS QB 2.989 . 4.105 3.098 2.420 3.312 . 0 0 "[ . 1]" 1
678 1 49 LYS QB 1 49 LYS HG2 2.201 . 2.807 2.218 2.134 2.364 . 0 0 "[ . 1]" 1
679 1 49 LYS QB 1 49 LYS HG3 2.395 . 3.112 2.250 2.148 2.367 . 0 0 "[ . 1]" 1
680 1 49 LYS HA 1 49 LYS QD 2.423 . 3.157 1.955 1.752 2.374 . 0 0 "[ . 1]" 1
681 1 49 LYS QD 1 49 LYS HG3 2.220 . 2.836 2.311 2.229 2.446 . 0 0 "[ . 1]" 1
682 1 49 LYS QB 1 49 LYS QD 2.777 . 3.741 2.499 2.176 2.882 . 0 0 "[ . 1]" 1
683 1 49 LYS HA 1 49 LYS HG3 2.554 . 3.369 3.034 2.267 3.637 0.268 8 0 "[ . 1]" 1
684 1 49 LYS HA 1 49 LYS HG2 2.590 . 3.428 3.266 2.831 3.571 0.143 5 0 "[ . 1]" 1
685 1 52 ILE HA 1 52 ILE HG13 2.168 . 2.756 2.541 2.497 2.685 . 0 0 "[ . 1]" 1
686 1 52 ILE HA 1 52 ILE HB 2.539 . 3.345 2.961 2.954 2.989 . 0 0 "[ . 1]" 1
687 1 52 ILE H 1 52 ILE HB 2.494 . 3.271 2.067 2.031 2.225 . 0 0 "[ . 1]" 1
688 1 52 ILE HB 1 53 LYS H 3.145 . 4.381 4.338 4.093 4.419 0.038 1 0 "[ . 1]" 1
689 1 35 LEU HB3 1 52 ILE HB 2.498 . 3.278 1.975 1.860 2.111 . 0 0 "[ . 1]" 1
690 1 52 ILE HB 1 52 ILE HG13 2.296 . 2.955 2.461 2.445 2.498 . 0 0 "[ . 1]" 1
691 1 52 ILE HB 1 52 ILE HG12 2.172 . 2.762 2.959 2.955 2.965 0.203 5 0 "[ . 1]" 1
692 1 103 LEU HA 1 103 LEU QB 2.405 . 2.680 2.443 2.331 2.522 . 0 0 "[ . 1]" 1
693 1 52 ILE H 1 52 ILE HG13 2.648 . 3.525 2.801 2.621 2.876 . 0 0 "[ . 1]" 1
694 1 52 ILE H 1 52 ILE HG12 2.792 . 3.767 3.958 3.874 3.999 0.232 6 0 "[ . 1]" 1
695 1 52 ILE HG12 1 53 LYS H 2.921 . 3.987 3.968 3.893 4.029 0.042 1 0 "[ . 1]" 1
696 1 52 ILE HG13 1 53 LYS H 3.152 . 4.394 4.625 4.601 4.688 0.294 5 0 "[ . 1]" 1
697 1 52 ILE HG13 1 52 ILE MG 2.254 . 2.889 3.123 3.095 3.130 0.241 6 0 "[ . 1]" 1
698 1 52 ILE H 1 52 ILE MG 2.494 . 3.272 3.492 3.471 3.585 0.313 5 0 "[ . 1]" 1
699 1 52 ILE MG 1 53 LYS H 2.275 . 2.922 2.731 2.112 2.954 0.032 1 0 "[ . 1]" 1
700 1 52 ILE HA 1 52 ILE MG 2.121 . 2.683 2.664 2.374 2.706 0.023 8 0 "[ . 1]" 1
701 1 35 LEU HB3 1 52 ILE MG 2.430 . 3.168 2.374 2.094 3.135 . 0 0 "[ . 1]" 1
702 1 52 ILE HB 1 52 ILE MG 1.978 . 2.467 2.071 2.065 2.079 . 0 0 "[ . 1]" 1
703 1 52 ILE MG 1 71 LEU HG 2.332 . 3.012 1.744 1.708 1.781 . 0 0 "[ . 1]" 1
704 1 52 ILE MG 1 73 ILE HG12 2.239 . 2.865 2.977 2.930 3.018 0.153 9 0 "[ . 1]" 1
705 1 52 ILE MG 1 54 MET H 3.104 . 4.308 2.555 2.473 2.690 . 0 0 "[ . 1]" 1
706 1 52 ILE HA 1 52 ILE MD 2.652 . 3.531 3.707 3.689 3.777 0.246 5 0 "[ . 1]" 1
707 1 52 ILE MD 1 52 ILE HG12 1.724 . 2.096 2.101 2.098 2.108 0.012 5 0 "[ . 1]" 1
708 1 52 ILE MD 1 52 ILE MG 1.833 . 2.253 2.083 1.848 2.137 . 0 0 "[ . 1]" 1
709 1 52 ILE MD 1 52 ILE HG13 1.885 . 2.329 2.111 2.108 2.117 . 0 0 "[ . 1]" 1
710 1 52 ILE HB 1 52 ILE MD 2.073 . 2.610 2.283 2.277 2.290 . 0 0 "[ . 1]" 1
711 1 52 ILE MD 1 71 LEU HG 2.295 . 2.953 2.071 1.955 2.230 . 0 0 "[ . 1]" 1
712 1 35 LEU HB3 1 52 ILE MD 2.625 . 3.486 2.900 2.763 3.017 . 0 0 "[ . 1]" 1
713 1 52 ILE MD 1 79 PHE QD 2.761 . 3.714 2.663 2.380 2.743 . 0 0 "[ . 1]" 1
714 1 52 ILE H 1 52 ILE MD 2.571 . 3.398 3.559 3.490 3.614 0.216 6 0 "[ . 1]" 1
715 1 53 LYS H 1 53 LYS HA 2.846 . 3.859 2.901 2.888 2.909 . 0 0 "[ . 1]" 1
716 1 53 LYS HA 1 53 LYS HB3 2.441 . 3.186 2.457 2.432 2.506 . 0 0 "[ . 1]" 1
717 1 53 LYS HA 1 53 LYS HB2 2.407 . 3.132 3.008 3.001 3.011 . 0 0 "[ . 1]" 1
718 1 53 LYS H 1 53 LYS HB2 2.419 . 3.151 2.378 2.324 2.424 . 0 0 "[ . 1]" 1
719 1 53 LYS H 1 53 LYS HB3 2.387 . 3.099 3.562 3.528 3.586 0.487 4 0 "[ . 1]" 1
720 1 100 LYS QB 1 100 LYS QG 2.147 . 2.723 2.039 2.015 2.062 . 0 0 "[ . 1]" 1
721 1 53 LYS HB2 1 73 ILE MD 2.551 . 3.365 3.491 3.451 3.549 0.184 7 0 "[ . 1]" 1
722 1 34 ILE MD 1 53 LYS HB3 2.713 . 3.633 3.162 3.046 3.367 . 0 0 "[ . 1]" 1
723 1 53 LYS HA 1 53 LYS HG3 2.499 . 3.280 3.244 3.072 3.303 0.023 3 0 "[ . 1]" 1
724 1 53 LYS HA 1 53 LYS HG2 2.968 . 4.069 2.347 2.299 2.372 . 0 0 "[ . 1]" 1
725 1 53 LYS HB2 1 53 LYS HG3 2.385 . 3.096 2.324 2.289 2.364 . 0 0 "[ . 1]" 1
726 1 53 LYS HB2 1 53 LYS HG2 2.377 . 3.083 2.992 2.976 3.003 . 0 0 "[ . 1]" 1
727 1 53 LYS H 1 53 LYS HG2 2.896 . 3.944 3.515 3.388 3.788 . 0 0 "[ . 1]" 1
728 1 53 LYS H 1 53 LYS HG3 2.751 . 3.697 2.723 2.661 2.880 . 0 0 "[ . 1]" 1
729 1 54 MET HA 1 54 MET QB 2.604 . 3.451 2.199 2.188 2.209 . 0 0 "[ . 1]" 1
730 1 54 MET QB 1 54 MET HG3 2.416 . 3.146 2.404 2.128 2.521 . 0 0 "[ . 1]" 1
731 1 54 MET H 1 54 MET HG3 3.165 . 4.417 2.236 1.806 3.533 0.107 3 0 "[ . 1]" 1
732 1 54 MET QB 1 54 MET HG2 2.610 . 3.461 2.157 2.117 2.376 . 0 0 "[ . 1]" 1
733 1 54 MET H 1 54 MET HG2 2.992 . 4.111 3.320 2.554 3.608 . 0 0 "[ . 1]" 1
734 1 55 ALA HA 1 56 VAL H 2.789 . 3.761 3.530 3.463 3.565 . 0 0 "[ . 1]" 1
735 1 55 ALA HA 1 100 LYS QB 2.792 . 3.766 2.932 2.328 3.663 . 0 0 "[ . 1]" 1
736 1 54 MET H 1 55 ALA MB 2.950 . 4.038 4.016 3.955 4.063 0.025 3 0 "[ . 1]" 1
737 1 55 ALA MB 1 107 ARG HB2 2.380 . 3.088 3.111 2.148 3.631 0.543 9 2 "[ . -+1]" 1
738 1 55 ALA MB 1 103 LEU MD2 1.912 . 2.369 2.205 1.926 2.516 0.147 6 0 "[ . 1]" 1
739 1 56 VAL HA 1 56 VAL HB 2.303 . 2.966 2.219 2.212 2.226 . 0 0 "[ . 1]" 1
740 1 56 VAL H 1 56 VAL HA 2.727 . 3.656 2.902 2.876 2.927 . 0 0 "[ . 1]" 1
741 1 56 VAL H 1 56 VAL HB 2.896 . 3.945 3.529 3.447 3.606 . 0 0 "[ . 1]" 1
742 1 56 VAL HB 1 57 CYS H 3.063 . 4.236 4.386 4.358 4.426 0.190 5 0 "[ . 1]" 1
743 1 56 VAL HA 1 56 VAL MG1 2.664 . 3.551 2.832 2.794 2.915 . 0 0 "[ . 1]" 1
744 1 56 VAL MG1 1 74 PRO HD3 2.925 . 3.995 3.442 3.130 3.697 . 0 0 "[ . 1]" 1
745 1 56 VAL MG1 1 74 PRO HD2 2.763 . 3.718 3.803 3.729 4.039 0.321 7 0 "[ . 1]" 1
746 1 56 VAL HB 1 56 VAL MG1 1.836 . 2.257 2.124 2.122 2.126 . 0 0 "[ . 1]" 1
747 1 53 LYS HB2 1 56 VAL MG1 2.082 . 2.624 2.676 2.644 2.715 0.091 4 0 "[ . 1]" 1
748 1 53 LYS HB3 1 56 VAL MG1 2.059 . 2.589 1.970 1.854 2.183 . 0 0 "[ . 1]" 1
749 1 55 ALA MB 1 56 VAL MG1 2.202 . 2.808 2.585 2.503 2.673 . 0 0 "[ . 1]" 1
750 1 56 VAL H 1 56 VAL MG2 2.230 . 2.852 2.970 2.885 3.117 0.265 1 0 "[ . 1]" 1
751 1 56 VAL MG2 1 57 CYS H 2.848 . 3.862 2.885 2.831 2.960 . 0 0 "[ . 1]" 1
752 1 56 VAL HA 1 56 VAL MG2 2.182 . 2.777 3.000 2.928 3.025 0.248 6 0 "[ . 1]" 1
753 1 56 VAL HB 1 56 VAL MG2 1.746 . 2.127 2.113 2.111 2.114 . 0 0 "[ . 1]" 1
754 1 58 GLU HB2 1 58 GLU HG2 1.985 . 2.477 2.447 2.417 2.479 0.002 4 0 "[ . 1]" 1
755 1 58 GLU HG2 1 59 ILE H 2.891 . 3.935 4.050 4.020 4.091 0.156 1 0 "[ . 1]" 1
756 1 58 GLU HG3 1 59 ILE H 2.948 . 4.034 2.622 2.572 2.681 . 0 0 "[ . 1]" 1
757 1 59 ILE HA 1 71 LEU MD1 2.661 . 3.546 2.011 1.924 2.127 . 0 0 "[ . 1]" 1
758 1 59 ILE H 1 59 ILE HB 2.506 . 3.291 3.517 3.422 3.601 0.310 8 0 "[ . 1]" 1
759 1 59 ILE HB 1 59 ILE MG 1.895 . 2.344 2.091 2.049 2.115 . 0 0 "[ . 1]" 1
760 1 59 ILE HB 1 59 ILE QG 2.313 . 2.982 2.466 2.384 2.521 . 0 0 "[ . 1]" 1
761 1 59 ILE H 1 59 ILE QG 2.608 . 3.458 3.177 2.875 3.429 . 0 0 "[ . 1]" 1
762 1 59 ILE QG 1 59 ILE MG 1.811 . 2.221 1.969 1.937 2.031 . 0 0 "[ . 1]" 1
763 1 54 MET QB 1 59 ILE MG 1.961 . 2.441 1.980 1.669 2.503 0.062 1 0 "[ . 1]" 1
764 1 59 ILE MG 1 96 LEU MD2 2.369 . 3.071 3.144 2.984 3.315 0.244 1 0 "[ . 1]" 1
765 1 59 ILE MG 1 97 GLY HA2 2.442 . 3.188 3.199 2.878 3.394 0.206 3 0 "[ . 1]" 1
766 1 59 ILE MG 1 97 GLY H 2.761 . 3.714 3.504 3.280 3.728 0.014 9 0 "[ . 1]" 1
767 1 59 ILE H 1 59 ILE MG 2.567 . 3.391 1.710 1.627 1.844 0.116 9 0 "[ . 1]" 1
768 1 59 ILE MD 1 93 LEU HA 2.532 . 3.333 2.328 1.971 2.770 . 0 0 "[ . 1]" 1
769 1 59 ILE MD 1 59 ILE QG 2.080 . 2.621 1.893 1.891 1.896 . 0 0 "[ . 1]" 1
770 1 59 ILE MD 1 61 VAL QG 1.880 . 2.322 1.832 1.685 1.968 . 0 0 "[ . 1]" 1
771 1 59 ILE MD 1 96 LEU HB2 2.633 . 3.499 2.795 2.269 3.420 . 0 0 "[ . 1]" 1
772 1 59 ILE MD 1 60 LYS H 2.363 . 3.061 2.859 2.437 3.186 0.125 5 0 "[ . 1]" 1
773 1 59 ILE MD 1 70 GLU H 2.856 . 3.875 3.532 2.955 3.964 0.089 3 0 "[ . 1]" 1
774 1 60 LYS H 1 60 LYS QB 2.769 . 3.728 2.523 2.214 2.654 . 0 0 "[ . 1]" 1
775 1 60 LYS QB 1 60 LYS HE2 3.009 . 3.588 3.415 2.696 4.004 0.416 6 0 "[ . 1]" 1
776 1 60 LYS QB 1 70 GLU HG2 2.841 . 3.850 3.708 3.498 3.897 0.047 5 0 "[ . 1]" 1
777 1 60 LYS QB 1 70 GLU HB2 2.431 . 3.170 1.831 1.656 1.990 0.043 5 0 "[ . 1]" 1
778 1 60 LYS QB 1 60 LYS HG3 2.440 . 3.184 2.152 2.132 2.207 . 0 0 "[ . 1]" 1
779 1 60 LYS QB 1 60 LYS HG2 2.505 . 2.967 2.412 2.329 2.492 . 0 0 "[ . 1]" 1
780 1 60 LYS QB 1 72 ILE MG 2.785 . 3.755 3.161 2.481 3.363 . 0 0 "[ . 1]" 1
781 1 60 LYS QB 1 70 GLU H 3.159 . 4.406 3.175 2.931 3.787 . 0 0 "[ . 1]" 1
782 1 60 LYS HE2 1 60 LYS HG2 2.511 . 3.299 3.382 2.740 3.585 0.286 8 0 "[ . 1]" 1
783 1 60 LYS HG3 1 72 ILE MG 2.622 . 3.482 1.808 1.717 2.165 0.045 8 0 "[ . 1]" 1
784 1 60 LYS HE3 1 72 ILE MG 2.490 . 3.265 3.140 1.818 3.422 0.157 9 0 "[ . 1]" 1
785 1 60 LYS HE3 1 60 LYS HG3 2.520 . 3.314 2.545 2.172 3.101 . 0 0 "[ . 1]" 1
786 1 60 LYS HE2 1 60 LYS HG3 2.488 . 3.262 2.413 2.280 2.661 . 0 0 "[ . 1]" 1
787 1 60 LYS HE3 1 60 LYS HG2 2.591 . 3.430 3.566 3.330 3.648 0.218 5 0 "[ . 1]" 1
788 1 60 LYS QB 1 60 LYS HE3 3.078 . 4.262 2.433 2.069 3.499 . 0 0 "[ . 1]" 1
789 1 61 VAL H 1 61 VAL HB 3.010 . 4.143 3.876 3.516 3.957 . 0 0 "[ . 1]" 1
790 1 61 VAL HA 1 61 VAL HB 2.549 . 3.361 2.288 2.209 2.715 . 0 0 "[ . 1]" 1
791 1 61 VAL HA 1 69 MET HA 2.769 . 3.727 2.022 1.862 2.239 . 0 0 "[ . 1]" 1
792 1 61 VAL HA 1 62 HIS H 2.571 . 3.398 2.218 2.113 2.380 . 0 0 "[ . 1]" 1
793 1 61 VAL HA 1 70 GLU H 2.935 . 4.012 3.056 2.787 3.516 . 0 0 "[ . 1]" 1
794 1 61 VAL H 1 61 VAL QG 2.488 . 3.262 2.265 1.911 2.352 . 0 0 "[ . 1]" 1
795 1 61 VAL QG 1 70 GLU H 2.781 . 3.748 3.616 2.364 3.816 0.068 8 0 "[ . 1]" 1
796 1 62 HIS HA 1 62 HIS HB3 2.641 . 3.513 2.923 2.397 3.029 . 0 0 "[ . 1]" 1
797 1 62 HIS HA 1 62 HIS HB2 2.958 . 4.052 2.504 2.214 2.634 . 0 0 "[ . 1]" 1
798 1 62 HIS H 1 62 HIS HA 2.968 . 4.069 2.838 2.207 2.948 . 0 0 "[ . 1]" 1
799 1 62 HIS H 1 62 HIS HB2 2.828 . 3.827 2.980 2.404 3.942 0.115 10 0 "[ . 1]" 1
800 1 62 HIS H 1 62 HIS HB3 2.968 . 4.069 2.851 2.503 3.506 . 0 0 "[ . 1]" 1
801 1 64 ALA HA 1 64 ALA MB 2.236 . 2.861 2.128 2.117 2.138 . 0 0 "[ . 1]" 1
802 1 63 SER HA 1 64 ALA MB 3.186 . 4.455 4.274 3.876 4.488 0.033 6 0 "[ . 1]" 1
803 1 62 HIS HE1 1 64 ALA MB 2.427 . 3.164 3.025 2.364 3.341 0.177 3 0 "[ . 1]" 1
804 1 94 VAL HB 1 94 VAL QG 1.731 . 2.106 1.883 1.880 1.885 . 0 0 "[ . 1]" 1
805 1 84 VAL QG 1 85 ASN HB2 2.977 . 4.085 2.409 2.207 2.670 . 0 0 "[ . 1]" 1
806 1 94 VAL HA 1 94 VAL QG 1.911 . 2.246 2.114 2.104 2.126 . 0 0 "[ . 1]" 1
807 1 94 VAL QG 1 95 ALA HA 2.569 . 3.394 2.881 2.795 2.986 . 0 0 "[ . 1]" 1
808 1 66 ASN HA 1 66 ASN HB2 2.749 . 3.694 2.793 2.361 3.030 . 0 0 "[ . 1]" 1
809 1 66 ASN HA 1 66 ASN HB3 2.740 . 3.678 2.557 2.399 3.010 . 0 0 "[ . 1]" 1
810 1 67 THR HA 1 83 ALA MB 2.668 . 3.558 3.381 2.944 3.850 0.292 1 0 "[ . 1]" 1
811 1 67 THR HA 1 89 ARG HB2 2.831 . 3.833 2.344 2.050 2.771 . 0 0 "[ . 1]" 1
812 1 67 THR HB 1 83 ALA MB 2.744 . 3.685 3.665 3.401 3.746 0.061 2 0 "[ . 1]" 1
813 1 67 THR HA 1 67 THR HB 2.595 . 3.437 2.535 2.446 2.598 . 0 0 "[ . 1]" 1
814 1 67 THR HB 1 83 ALA H 2.798 . 3.777 2.435 2.067 2.920 . 0 0 "[ . 1]" 1
815 1 67 THR MG 1 83 ALA H 2.794 . 3.770 3.077 2.572 3.571 . 0 0 "[ . 1]" 1
816 1 67 THR H 1 67 THR MG 2.653 . 3.533 2.867 2.575 3.364 . 0 0 "[ . 1]" 1
817 1 67 THR MG 1 85 ASN H 2.673 . 3.566 3.649 3.584 3.734 0.168 1 0 "[ . 1]" 1
818 1 67 THR HB 1 67 THR MG 1.955 . 2.433 2.132 2.125 2.135 . 0 0 "[ . 1]" 1
819 1 67 THR HA 1 67 THR MG 2.122 . 2.685 2.288 2.229 2.380 . 0 0 "[ . 1]" 1
820 1 67 THR MG 1 86 ALA HA 2.250 . 2.883 2.344 2.045 2.557 . 0 0 "[ . 1]" 1
821 1 67 THR MG 1 86 ALA MB 2.123 . 2.687 2.691 2.452 2.832 0.145 6 0 "[ . 1]" 1
822 1 68 ARG QB 1 68 ARG HD3 2.978 . 4.087 2.832 2.360 3.464 . 0 0 "[ . 1]" 1
823 1 62 HIS HB3 1 68 ARG QB 2.949 . 4.036 3.042 1.868 4.715 0.679 3 1 "[ + . 1]" 1
824 1 68 ARG HA 1 68 ARG QB 3.216 . 4.509 2.341 2.145 2.473 . 0 0 "[ . 1]" 1
825 1 68 ARG H 1 68 ARG HA 2.805 . 3.789 2.927 2.863 2.954 . 0 0 "[ . 1]" 1
826 1 68 ARG H 1 68 ARG QB 3.125 . 4.346 2.778 2.505 3.180 . 0 0 "[ . 1]" 1
827 1 68 ARG HD3 1 68 ARG HG3 2.876 . 3.910 2.728 2.427 3.017 . 0 0 "[ . 1]" 1
828 1 68 ARG QB 1 68 ARG HD2 3.036 . 4.188 2.778 2.312 3.415 . 0 0 "[ . 1]" 1
829 1 61 VAL HB 1 69 MET HA 2.953 . 4.043 3.397 2.962 4.024 . 0 0 "[ . 1]" 1
830 1 13 LEU MD1 1 69 MET ME 1.901 . 2.353 2.324 2.034 2.555 0.202 2 0 "[ . 1]" 1
831 1 13 LEU MD2 1 69 MET ME 1.824 . 2.240 2.301 2.259 2.345 0.105 1 0 "[ . 1]" 1
832 1 69 MET ME 1 92 TRP HB3 2.094 . 2.642 2.546 2.330 2.674 0.032 4 0 "[ . 1]" 1
833 1 69 MET ME 1 92 TRP HB2 2.163 . 2.748 1.778 1.704 1.843 . 0 0 "[ . 1]" 1
834 1 69 MET ME 1 89 ARG HA 2.367 . 3.068 2.170 1.901 2.951 . 0 0 "[ . 1]" 1
835 1 69 MET ME 1 92 TRP HD1 2.599 . 3.443 2.285 2.093 2.875 . 0 0 "[ . 1]" 1
836 1 69 MET ME 1 92 TRP H 2.499 . 3.280 3.369 3.215 3.547 0.267 2 0 "[ . 1]" 1
837 1 69 MET ME 1 93 LEU H 2.329 . 3.007 3.137 3.045 3.264 0.257 8 0 "[ . 1]" 1
838 1 70 GLU HA 1 71 LEU H 2.280 . 2.930 2.405 2.298 2.475 . 0 0 "[ . 1]" 1
839 1 70 GLU H 1 70 GLU HA 2.894 . 3.941 2.894 2.864 2.913 . 0 0 "[ . 1]" 1
840 1 70 GLU HA 1 81 MET H 2.919 . 3.984 3.319 2.748 3.660 . 0 0 "[ . 1]" 1
841 1 70 GLU HA 1 70 GLU HB3 2.576 . 3.406 2.262 2.226 2.324 . 0 0 "[ . 1]" 1
842 1 70 GLU H 1 70 GLU HG3 2.566 . 3.389 2.743 2.495 2.981 . 0 0 "[ . 1]" 1
843 1 60 LYS QB 1 70 GLU HG3 2.304 . 2.968 2.422 2.097 2.926 . 0 0 "[ . 1]" 1
844 1 71 LEU H 1 71 LEU HA 2.917 . 3.981 2.935 2.926 2.945 . 0 0 "[ . 1]" 1
845 1 71 LEU HB3 1 72 ILE H 2.970 . 4.072 3.606 3.465 3.730 . 0 0 "[ . 1]" 1
846 1 71 LEU HB2 1 72 ILE H 3.123 . 4.342 4.430 4.377 4.480 0.138 5 0 "[ . 1]" 1
847 1 71 LEU H 1 71 LEU HB2 2.841 . 3.850 2.645 2.600 2.677 . 0 0 "[ . 1]" 1
848 1 71 LEU H 1 71 LEU HB3 3.302 . 4.665 3.310 3.271 3.334 . 0 0 "[ . 1]" 1
849 1 71 LEU HB3 1 79 PHE HB3 3.107 . 4.314 3.675 3.403 3.931 . 0 0 "[ . 1]" 1
850 1 71 LEU HB3 1 71 LEU HG 2.206 . 2.814 2.351 2.336 2.365 . 0 0 "[ . 1]" 1
851 1 71 LEU HA 1 71 LEU HG 2.983 . 4.095 3.613 3.593 3.625 . 0 0 "[ . 1]" 1
852 1 71 LEU MD1 1 72 ILE H 2.540 . 3.347 2.194 2.044 2.387 . 0 0 "[ . 1]" 1
853 1 60 LYS H 1 71 LEU MD1 3.007 . 4.137 3.299 3.064 3.848 . 0 0 "[ . 1]" 1
854 1 71 LEU H 1 71 LEU MD2 2.798 . 3.777 3.765 3.698 3.799 0.022 1 0 "[ . 1]" 1
855 1 71 LEU MD2 1 72 ILE H 2.989 . 4.106 3.964 3.903 4.026 . 0 0 "[ . 1]" 1
856 1 71 LEU HA 1 71 LEU MD2 2.767 . 3.724 2.295 2.235 2.370 . 0 0 "[ . 1]" 1
857 1 71 LEU MD2 1 79 PHE HB2 3.036 . 4.188 4.315 4.278 4.357 0.169 6 0 "[ . 1]" 1
858 1 59 ILE HB 1 71 LEU MD2 2.376 . 3.081 2.358 2.098 2.696 . 0 0 "[ . 1]" 1
859 1 71 LEU MD2 1 81 MET ME 1.930 . 2.396 2.278 1.892 2.442 0.046 10 0 "[ . 1]" 1
860 1 54 MET QB 1 71 LEU MD2 2.641 . 2.985 2.748 2.481 2.865 . 0 0 "[ . 1]" 1
861 1 54 MET QB 1 71 LEU MD1 2.643 . 2.717 1.847 1.725 1.926 0.045 5 0 "[ . 1]" 1
862 1 59 ILE HB 1 71 LEU MD1 2.324 . 2.999 2.997 2.914 3.069 0.070 2 0 "[ . 1]" 1
863 1 71 LEU MD1 1 71 LEU HG 1.866 . 2.301 2.114 2.107 2.117 . 0 0 "[ . 1]" 1
864 1 71 LEU HB3 1 71 LEU MD1 1.983 . 2.475 2.488 2.424 2.506 0.031 7 0 "[ . 1]" 1
865 1 52 ILE MD 1 71 LEU MD2 2.275 . 2.922 3.046 3.000 3.179 0.257 5 0 "[ . 1]" 1
866 1 52 ILE MD 1 71 LEU MD1 2.599 . 3.443 3.398 3.288 3.545 0.102 5 0 "[ . 1]" 1
867 1 72 ILE HA 1 73 ILE H 2.296 . 2.955 2.124 2.085 2.160 . 0 0 "[ . 1]" 1
868 1 72 ILE HA 1 72 ILE MG 2.218 . 2.833 2.372 2.328 2.419 . 0 0 "[ . 1]" 1
869 1 72 ILE H 1 72 ILE HB 2.614 . 3.468 3.751 3.714 3.783 0.315 2 0 "[ . 1]" 1
870 1 72 ILE MG 1 73 ILE H 2.873 . 3.905 4.105 4.067 4.148 0.243 2 0 "[ . 1]" 1
871 1 72 ILE H 1 72 ILE MG 2.401 . 3.122 2.489 2.322 2.597 . 0 0 "[ . 1]" 1
872 1 71 LEU HA 1 72 ILE MG 2.921 . 3.987 3.521 3.372 3.587 . 0 0 "[ . 1]" 1
873 1 60 LYS HE2 1 72 ILE MG 2.298 . 2.958 2.248 1.967 3.215 0.257 2 0 "[ . 1]" 1
874 1 72 ILE MG 1 77 GLN HB2 2.403 . 3.125 2.622 2.209 2.913 . 0 0 "[ . 1]" 1
875 1 60 LYS HG2 1 72 ILE MG 2.278 . 2.927 2.595 1.906 3.653 0.726 2 1 "[ + . 1]" 1
876 1 72 ILE HG12 1 72 ILE MG 1.950 . 2.425 2.071 2.009 2.116 . 0 0 "[ . 1]" 1
877 1 72 ILE HB 1 72 ILE HG13 2.480 . 3.249 2.956 2.951 2.961 . 0 0 "[ . 1]" 1
878 1 72 ILE HB 1 72 ILE HG12 2.715 . 3.636 2.644 2.633 2.652 . 0 0 "[ . 1]" 1
879 1 72 ILE HA 1 72 ILE HG13 2.673 . 3.566 3.610 3.603 3.618 0.052 8 0 "[ . 1]" 1
880 1 72 ILE HA 1 72 ILE HG12 3.041 . 4.197 4.209 4.205 4.215 0.018 8 0 "[ . 1]" 1
881 1 72 ILE H 1 72 ILE HG13 2.610 . 3.461 2.163 2.103 2.272 . 0 0 "[ . 1]" 1
882 1 72 ILE H 1 72 ILE HG12 3.002 . 4.128 3.525 3.451 3.603 . 0 0 "[ . 1]" 1
883 1 72 ILE HB 1 72 ILE MD 1.913 . 2.371 2.237 2.227 2.246 . 0 0 "[ . 1]" 1
884 1 58 GLU HB2 1 72 ILE MD 2.228 . 2.848 2.762 2.584 2.924 0.076 5 0 "[ . 1]" 1
885 1 58 GLU HB3 1 72 ILE MD 2.365 . 3.064 1.975 1.930 2.023 . 0 0 "[ . 1]" 1
886 1 72 ILE MD 1 72 ILE HG13 2.184 . 2.780 2.101 2.098 2.106 . 0 0 "[ . 1]" 1
887 1 72 ILE HA 1 72 ILE MD 2.406 . 3.061 3.528 3.500 3.545 0.484 3 0 "[ . 1]" 1
888 1 72 ILE MD 1 72 ILE HG12 2.113 . 2.671 2.101 2.094 2.107 . 0 0 "[ . 1]" 1
889 1 73 ILE HB 1 74 PRO HG2 2.576 . 3.405 3.594 3.514 3.801 0.396 7 0 "[ . 1]" 1
890 1 73 ILE H 1 73 ILE HB 2.756 . 3.705 3.877 3.860 3.893 0.188 2 0 "[ . 1]" 1
891 1 73 ILE H 1 73 ILE MG 2.678 . 3.574 2.882 2.481 3.010 . 0 0 "[ . 1]" 1
892 1 53 LYS H 1 73 ILE MG 2.691 . 3.596 2.411 2.151 2.941 . 0 0 "[ . 1]" 1
893 1 73 ILE MG 1 79 PHE QD 2.686 . 3.588 3.354 2.774 3.538 . 0 0 "[ . 1]" 1
894 1 52 ILE HA 1 73 ILE MG 2.951 . 4.040 2.892 2.696 3.179 . 0 0 "[ . 1]" 1
895 1 73 ILE HB 1 73 ILE MG 2.019 . 2.529 2.092 2.080 2.108 . 0 0 "[ . 1]" 1
896 1 73 ILE HG13 1 73 ILE MG 1.990 . 2.485 2.576 2.550 2.609 0.124 7 0 "[ . 1]" 1
897 1 52 ILE MD 1 73 ILE MG 2.325 . 3.001 3.200 3.053 3.248 0.247 7 0 "[ . 1]" 1
898 1 73 ILE H 1 73 ILE HG12 2.972 . 4.076 3.782 3.705 3.849 . 0 0 "[ . 1]" 1
899 1 73 ILE H 1 73 ILE HG13 2.777 . 3.741 2.307 2.203 2.423 . 0 0 "[ . 1]" 1
900 1 73 ILE HB 1 73 ILE HG13 2.357 . 3.051 2.967 2.958 2.993 . 0 0 "[ . 1]" 1
901 1 73 ILE HB 1 73 ILE HG12 2.509 . 3.296 2.620 2.572 2.664 . 0 0 "[ . 1]" 1
902 1 73 ILE MD 1 73 ILE HG13 2.264 . 2.905 2.117 2.113 2.118 . 0 0 "[ . 1]" 1
903 1 73 ILE HB 1 73 ILE MD 1.859 . 2.291 2.203 2.167 2.231 . 0 0 "[ . 1]" 1
904 1 73 ILE MD 1 76 GLU HG2 2.332 . 3.012 2.717 1.900 3.203 0.191 9 0 "[ . 1]" 1
905 1 73 ILE MD 1 74 PRO HD2 2.382 . 3.091 2.429 1.905 2.577 . 0 0 "[ . 1]" 1
906 1 73 ILE H 1 73 ILE MD 2.579 . 3.411 3.555 3.496 3.604 0.193 5 0 "[ . 1]" 1
907 1 74 PRO HA 1 74 PRO HB3 2.259 . 2.897 2.287 2.266 2.330 . 0 0 "[ . 1]" 1
908 1 74 PRO HA 1 76 GLU H 2.898 . 3.948 3.997 3.827 4.236 0.288 3 0 "[ . 1]" 1
909 1 74 PRO HB3 1 74 PRO HD3 2.810 . 3.797 3.079 2.665 3.975 0.178 1 0 "[ . 1]" 1
910 1 74 PRO HB3 1 74 PRO HD2 2.681 . 3.580 3.825 3.732 4.074 0.494 3 0 "[ . 1]" 1
911 1 74 PRO HB2 1 74 PRO HD3 2.719 . 3.643 3.801 3.738 4.020 0.377 7 0 "[ . 1]" 1
912 1 74 PRO HB2 1 74 PRO HG2 1.917 . 2.376 2.319 2.233 2.359 . 0 0 "[ . 1]" 1
913 1 74 PRO HA 1 74 PRO HG3 2.936 . 4.014 3.702 2.925 4.028 0.014 4 0 "[ . 1]" 1
914 1 74 PRO HA 1 74 PRO HG2 2.922 . 3.989 3.806 3.729 3.935 . 0 0 "[ . 1]" 1
915 1 74 PRO HD2 1 74 PRO HG2 2.404 . 3.126 2.277 2.150 2.332 . 0 0 "[ . 1]" 1
916 1 74 PRO HD2 1 74 PRO HG3 2.510 . 3.297 2.684 2.584 2.929 . 0 0 "[ . 1]" 1
917 1 74 PRO HB3 1 74 PRO HG3 2.287 . 2.941 2.312 2.238 2.346 . 0 0 "[ . 1]" 1
918 1 73 ILE MD 1 74 PRO HG2 2.726 . 3.655 2.833 2.405 3.749 0.094 1 0 "[ . 1]" 1
919 1 73 ILE MD 1 74 PRO HD3 2.631 . 3.496 3.656 3.274 3.754 0.258 8 0 "[ . 1]" 1
920 1 74 PRO HD3 1 74 PRO HG2 2.476 . 3.242 2.914 2.621 2.988 . 0 0 "[ . 1]" 1
921 1 74 PRO HD3 1 74 PRO HG3 2.356 . 3.050 2.304 2.239 2.344 . 0 0 "[ . 1]" 1
922 1 75 GLY HA2 1 76 GLU H 2.978 . 4.086 3.480 3.219 3.557 . 0 0 "[ . 1]" 1
923 1 77 GLN HA 1 77 GLN HB2 2.617 . 3.473 2.525 2.473 2.569 . 0 0 "[ . 1]" 1
924 1 85 ASN H 1 88 GLU HB2 2.484 . 3.255 2.032 1.756 2.552 . 0 0 "[ . 1]" 1
925 1 85 ASN H 1 88 GLU HB3 2.474 . 3.239 1.977 1.658 2.162 0.051 8 0 "[ . 1]" 1
926 1 76 GLU H 1 76 GLU HG2 3.034 . 4.185 2.591 2.371 3.035 . 0 0 "[ . 1]" 1
927 1 76 GLU H 1 76 GLU HG3 3.116 . 4.330 3.289 2.977 4.108 . 0 0 "[ . 1]" 1
928 1 72 ILE HB 1 77 GLN HB3 2.259 . 2.897 2.640 2.070 2.926 0.029 7 0 "[ . 1]" 1
929 1 72 ILE HB 1 77 GLN HB2 2.390 . 3.104 2.119 1.901 2.427 . 0 0 "[ . 1]" 1
930 1 71 LEU HB3 1 79 PHE HB2 2.683 . 3.583 2.558 2.291 2.845 . 0 0 "[ . 1]" 1
931 1 71 LEU HB2 1 79 PHE HB2 2.510 . 3.298 2.466 2.405 2.558 . 0 0 "[ . 1]" 1
932 1 71 LEU HB2 1 79 PHE HB3 2.548 . 3.359 3.017 2.821 3.115 . 0 0 "[ . 1]" 1
933 1 71 LEU MD2 1 79 PHE HB3 3.296 . 4.654 4.622 4.493 4.685 0.031 7 0 "[ . 1]" 1
934 1 79 PHE HB2 1 79 PHE QD 2.954 . 4.045 2.357 2.337 2.388 . 0 0 "[ . 1]" 1
935 1 79 PHE HB3 1 79 PHE QD 2.994 . 4.114 2.427 2.389 2.452 . 0 0 "[ . 1]" 1
936 1 71 LEU H 1 79 PHE HB3 3.102 . 4.305 3.232 3.081 3.425 . 0 0 "[ . 1]" 1
937 1 79 PHE H 1 79 PHE HB3 2.979 . 4.088 3.832 3.780 3.870 . 0 0 "[ . 1]" 1
938 1 79 PHE H 1 79 PHE HB2 2.960 . 4.055 2.735 2.644 2.808 . 0 0 "[ . 1]" 1
939 1 71 LEU H 1 79 PHE HB2 3.003 . 4.131 2.124 1.826 2.423 0.049 2 0 "[ . 1]" 1
940 1 80 TYR HA 1 80 TYR HB2 2.995 . 4.116 3.022 3.012 3.030 . 0 0 "[ . 1]" 1
941 1 16 TRP HB3 1 80 TYR HB2 3.134 . 4.362 2.844 2.103 4.377 0.015 3 0 "[ . 1]" 1
942 1 80 TYR HB3 1 81 MET H 2.920 . 3.986 3.332 3.107 3.640 . 0 0 "[ . 1]" 1
943 1 80 TYR HB2 1 81 MET H 2.972 . 4.076 4.147 4.062 4.236 0.160 10 0 "[ . 1]" 1
944 1 16 TRP H 1 80 TYR HB3 3.246 . 4.563 4.460 4.127 4.720 0.157 2 0 "[ . 1]" 1
945 1 16 TRP H 1 80 TYR HB2 3.235 . 4.543 3.936 3.560 4.517 . 0 0 "[ . 1]" 1
946 1 81 MET H 1 81 MET HA 2.970 . 4.073 2.885 2.817 2.911 . 0 0 "[ . 1]" 1
947 1 81 MET HA 1 82 LYS H 2.437 . 3.180 2.234 2.100 2.514 . 0 0 "[ . 1]" 1
948 1 81 MET HB2 1 81 MET HG2 2.643 . 3.516 2.912 2.414 2.979 . 0 0 "[ . 1]" 1
949 1 81 MET HB3 1 81 MET HG3 2.525 . 3.322 2.907 2.458 2.971 . 0 0 "[ . 1]" 1
950 1 81 MET HB2 1 81 MET HG3 2.520 . 3.314 2.346 2.249 2.990 . 0 0 "[ . 1]" 1
951 1 81 MET HB3 1 81 MET HG2 2.663 . 3.549 2.581 2.336 2.637 . 0 0 "[ . 1]" 1
952 1 81 MET HA 1 81 MET HB2 2.784 . 3.753 2.456 2.423 2.610 . 0 0 "[ . 1]" 1
953 1 81 MET HA 1 81 MET HB3 2.823 . 3.819 2.402 2.239 2.461 . 0 0 "[ . 1]" 1
954 1 81 MET HB2 1 82 LYS H 2.927 . 3.998 2.687 2.121 3.074 . 0 0 "[ . 1]" 1
955 1 81 MET HB3 1 82 LYS H 3.113 . 4.324 3.821 3.248 4.109 . 0 0 "[ . 1]" 1
956 1 81 MET H 1 81 MET HB2 3.240 . 4.552 3.916 3.699 4.054 . 0 0 "[ . 1]" 1
957 1 81 MET H 1 81 MET HB3 3.253 . 4.576 3.397 3.276 3.534 . 0 0 "[ . 1]" 1
958 1 13 LEU MD2 1 81 MET HB2 2.840 . 3.848 3.495 3.376 3.628 . 0 0 "[ . 1]" 1
959 1 13 LEU MD2 1 81 MET HB3 2.953 . 4.043 4.076 3.872 4.173 0.130 3 0 "[ . 1]" 1
960 1 84 VAL H 1 84 VAL HB 2.239 . 2.866 2.067 2.041 2.102 . 0 0 "[ . 1]" 1
961 1 81 MET HA 1 81 MET HG3 2.792 . 3.766 3.840 3.551 3.900 0.134 5 0 "[ . 1]" 1
962 1 13 LEU MD2 1 81 MET HG3 2.887 . 3.929 2.772 2.520 3.814 . 0 0 "[ . 1]" 1
963 1 13 LEU MD2 1 81 MET HG2 2.741 . 3.680 3.688 2.449 3.972 0.292 3 0 "[ . 1]" 1
964 1 13 LEU MD2 1 81 MET ME 1.802 . 2.208 1.917 1.782 2.068 . 0 0 "[ . 1]" 1
965 1 13 LEU MD1 1 81 MET ME 2.369 . 3.070 3.402 3.333 3.497 0.427 2 0 "[ . 1]" 1
966 1 81 MET ME 1 81 MET HG3 1.977 . 2.466 2.426 2.368 2.600 0.134 10 0 "[ . 1]" 1
967 1 81 MET ME 1 81 MET HG2 2.048 . 2.572 2.510 2.384 2.561 . 0 0 "[ . 1]" 1
968 1 69 MET ME 1 81 MET ME 1.823 . 2.239 2.248 1.995 2.530 0.291 4 0 "[ . 1]" 1
969 1 79 PHE HB3 1 81 MET ME 2.898 . 3.948 4.070 4.023 4.178 0.230 2 0 "[ . 1]" 1
970 1 70 GLU HA 1 81 MET ME 2.856 . 3.876 3.159 2.883 3.358 . 0 0 "[ . 1]" 1
971 1 28 PHE QD 1 81 MET ME 2.642 . 3.514 3.618 3.543 3.719 0.205 5 0 "[ . 1]" 1
972 1 28 PHE QE 1 81 MET ME 2.488 . 3.262 2.879 2.701 3.055 . 0 0 "[ . 1]" 1
973 1 70 GLU H 1 81 MET ME 2.575 . 3.404 3.535 3.446 3.636 0.232 4 0 "[ . 1]" 1
974 1 71 LEU H 1 81 MET ME 2.844 . 3.855 3.931 3.869 3.994 0.139 6 0 "[ . 1]" 1
975 1 82 LYS HB3 1 82 LYS HD2 2.748 . 3.692 2.976 2.408 3.804 0.112 1 0 "[ . 1]" 1
976 1 82 LYS HB2 1 82 LYS HD3 2.748 . 3.692 3.192 2.400 3.792 0.100 2 0 "[ . 1]" 1
977 1 82 LYS HB3 1 82 LYS HD3 2.793 . 3.768 3.229 2.275 3.694 . 0 0 "[ . 1]" 1
978 1 82 LYS HB2 1 82 LYS HD2 2.935 . 4.012 3.166 2.627 3.695 . 0 0 "[ . 1]" 1
979 1 14 TYR HB2 1 82 LYS HB3 2.813 . 3.802 2.540 2.196 3.294 . 0 0 "[ . 1]" 1
980 1 14 TYR HB3 1 82 LYS HB2 3.178 . 4.441 4.363 3.277 4.512 0.071 5 0 "[ . 1]" 1
981 1 82 LYS H 1 82 LYS HB3 3.463 . 4.962 2.708 2.472 3.592 . 0 0 "[ . 1]" 1
982 1 82 LYS H 1 82 LYS HB2 3.046 . 4.205 2.864 2.384 3.231 . 0 0 "[ . 1]" 1
983 1 82 LYS HD2 1 82 LYS HE2 2.428 . 3.165 3.010 2.998 3.015 . 0 0 "[ . 1]" 1
984 1 82 LYS HD2 1 82 LYS HE3 2.382 . 3.091 2.456 2.408 2.519 . 0 0 "[ . 1]" 1
985 1 82 LYS HD3 1 82 LYS HE3 2.440 . 3.184 3.009 2.979 3.019 . 0 0 "[ . 1]" 1
986 1 82 LYS HD3 1 82 LYS HE2 2.448 . 3.197 2.431 2.349 2.486 . 0 0 "[ . 1]" 1
987 1 82 LYS HB3 1 82 LYS HE3 2.938 . 4.017 3.210 2.756 4.433 0.416 6 0 "[ . 1]" 1
988 1 82 LYS HB3 1 82 LYS HE2 2.998 . 4.121 3.421 2.043 4.048 . 0 0 "[ . 1]" 1
989 1 13 LEU MD1 1 83 ALA MB 2.114 . 2.673 2.275 2.113 2.408 . 0 0 "[ . 1]" 1
990 1 83 ALA MB 1 88 GLU HB3 2.151 . 2.730 1.765 1.709 1.868 . 0 0 "[ . 1]" 1
991 1 83 ALA MB 1 88 GLU HB2 2.296 . 2.955 3.205 3.117 3.311 0.356 8 0 "[ . 1]" 1
992 1 83 ALA MB 1 89 ARG HA 2.301 . 2.963 2.267 2.075 2.542 . 0 0 "[ . 1]" 1
993 1 83 ALA MB 1 84 VAL H 2.208 . 2.818 2.393 2.209 2.516 . 0 0 "[ . 1]" 1
994 1 83 ALA H 1 83 ALA MB 2.214 . 2.827 2.381 2.280 2.515 . 0 0 "[ . 1]" 1
995 1 83 ALA MB 1 89 ARG H 2.280 . 2.930 2.371 2.282 2.478 . 0 0 "[ . 1]" 1
996 1 83 ALA MB 1 85 ASN H 2.167 . 2.754 2.586 2.392 2.764 0.010 6 0 "[ . 1]" 1
997 1 13 LEU MD2 1 83 ALA MB 2.827 . 3.826 3.979 3.917 4.050 0.224 2 0 "[ . 1]" 1
998 1 84 VAL H 1 84 VAL HA 2.310 . 2.977 2.717 2.703 2.725 . 0 0 "[ . 1]" 1
999 1 84 VAL HA 1 85 ASN H 2.556 . 3.373 3.481 3.449 3.500 0.127 8 0 "[ . 1]" 1
1000 1 84 VAL HA 1 84 VAL HB 2.066 . 2.599 2.873 2.862 2.880 0.281 5 0 "[ . 1]" 1
1001 1 84 VAL HB 1 85 ASN H 2.713 . 3.633 2.899 2.731 3.107 . 0 0 "[ . 1]" 1
1002 1 84 VAL H 1 84 VAL QG 2.061 . 2.592 2.589 2.551 2.625 0.033 2 0 "[ . 1]" 1
1003 1 84 VAL QG 1 85 ASN HD21 2.782 . 3.749 2.839 1.746 3.785 0.069 6 0 "[ . 1]" 1
1004 1 84 VAL QG 1 85 ASN H 2.240 . 2.867 2.587 2.417 2.822 . 0 0 "[ . 1]" 1
1005 1 14 TYR QD 1 84 VAL QG 2.390 . 3.104 3.009 2.635 3.197 0.093 4 0 "[ . 1]" 1
1006 1 85 ASN H 1 85 ASN HA 2.641 . 3.513 2.896 2.853 2.924 . 0 0 "[ . 1]" 1
1007 1 67 THR MG 1 85 ASN HA 2.344 . 3.031 2.967 2.717 3.138 0.107 9 0 "[ . 1]" 1
1008 1 85 ASN HA 1 85 ASN HD21 3.032 . 4.181 3.313 1.790 4.278 0.097 1 0 "[ . 1]" 1
1009 1 84 VAL QG 1 85 ASN HA 3.203 . 4.486 3.626 3.490 3.751 . 0 0 "[ . 1]" 1
1010 1 85 ASN HA 1 85 ASN HB3 2.711 . 3.629 2.747 2.560 3.031 . 0 0 "[ . 1]" 1
1011 1 85 ASN HA 1 85 ASN HB2 2.874 . 3.907 2.879 2.570 3.025 . 0 0 "[ . 1]" 1
1012 1 87 ALA HA 1 91 ARG H 2.976 . 4.083 3.608 3.542 3.680 . 0 0 "[ . 1]" 1
1013 1 87 ALA HA 1 90 GLN HB3 2.241 . 2.869 1.888 1.800 1.993 . 0 0 "[ . 1]" 1
1014 1 87 ALA HA 1 90 GLN QG 2.665 . 3.553 3.096 2.973 3.209 . 0 0 "[ . 1]" 1
1015 1 86 ALA HA 1 86 ALA MB 1.839 . 2.262 2.106 2.093 2.114 . 0 0 "[ . 1]" 1
1016 1 87 ALA MB 1 90 GLN HB3 2.468 . 3.229 2.933 2.799 3.065 . 0 0 "[ . 1]" 1
1017 1 87 ALA MB 1 90 GLN QG 2.406 . 3.129 3.311 3.249 3.359 0.230 5 0 "[ . 1]" 1
1018 1 87 ALA HA 1 87 ALA MB 1.723 . 2.094 2.104 2.098 2.110 0.016 3 0 "[ . 1]" 1
1019 1 87 ALA MB 1 90 GLN H 2.916 . 3.979 4.111 4.044 4.171 0.192 2 0 "[ . 1]" 1
1020 1 87 ALA H 1 87 ALA MB 1.978 . 2.467 2.252 2.242 2.269 . 0 0 "[ . 1]" 1
1021 1 87 ALA MB 1 88 GLU H 2.018 . 2.527 2.877 2.828 2.939 0.412 7 0 "[ . 1]" 1
1022 1 88 GLU H 1 88 GLU HA 2.470 . 3.232 2.862 2.850 2.875 . 0 0 "[ . 1]" 1
1023 1 88 GLU HA 1 91 ARG H 2.633 . 3.500 3.484 3.314 3.560 0.060 4 0 "[ . 1]" 1
1024 1 84 VAL QG 1 88 GLU HB2 2.568 . 3.392 2.861 2.686 3.013 . 0 0 "[ . 1]" 1
1025 1 88 GLU HB2 1 89 ARG H 2.754 . 3.702 3.082 2.757 3.714 0.012 7 0 "[ . 1]" 1
1026 1 88 GLU HB3 1 89 ARG H 2.846 . 3.859 2.258 2.107 2.509 . 0 0 "[ . 1]" 1
1027 1 88 GLU H 1 88 GLU HB3 2.431 . 3.170 2.990 2.638 3.192 0.022 5 0 "[ . 1]" 1
1028 1 88 GLU H 1 88 GLU HB2 2.365 . 3.064 2.211 2.101 2.520 . 0 0 "[ . 1]" 1
1029 1 84 VAL H 1 88 GLU HB3 3.284 . 4.632 3.218 3.088 3.325 . 0 0 "[ . 1]" 1
1030 1 89 ARG H 1 89 ARG HA 2.499 . 3.280 2.766 2.733 2.820 . 0 0 "[ . 1]" 1
1031 1 89 ARG HA 1 89 ARG HB2 2.411 . 3.137 2.426 2.308 2.605 . 0 0 "[ . 1]" 1
1032 1 89 ARG HA 1 92 TRP HD1 2.831 . 3.833 2.728 2.416 3.016 . 0 0 "[ . 1]" 1
1033 1 89 ARG HA 1 90 GLN H 2.997 . 4.120 3.545 3.525 3.559 . 0 0 "[ . 1]" 1
1034 1 89 ARG H 1 89 ARG HB3 2.731 . 3.663 2.506 2.209 2.826 . 0 0 "[ . 1]" 1
1035 1 89 ARG H 1 89 ARG HB2 3.059 . 4.229 2.572 2.256 2.882 . 0 0 "[ . 1]" 1
1036 1 90 GLN HA 1 91 ARG H 2.762 . 3.716 3.524 3.511 3.538 . 0 0 "[ . 1]" 1
1037 1 90 GLN H 1 90 GLN HA 2.440 . 3.184 2.749 2.723 2.793 . 0 0 "[ . 1]" 1
1038 1 90 GLN HA 1 94 VAL H 3.074 . 4.256 3.873 3.791 4.001 . 0 0 "[ . 1]" 1
1039 1 90 GLN HA 1 93 LEU H 2.600 . 3.445 3.662 3.609 3.706 0.261 5 0 "[ . 1]" 1
1040 1 90 GLN HB3 1 91 ARG H 2.531 . 3.332 2.056 2.005 2.157 . 0 0 "[ . 1]" 1
1041 1 90 GLN HB2 1 91 ARG H 2.571 . 3.397 3.549 3.495 3.626 0.229 2 0 "[ . 1]" 1
1042 1 90 GLN H 1 90 GLN HB3 2.331 . 3.010 2.266 2.174 2.392 . 0 0 "[ . 1]" 1
1043 1 90 GLN H 1 90 GLN HB2 2.334 . 3.015 2.367 2.233 2.488 . 0 0 "[ . 1]" 1
1044 1 89 ARG H 1 90 GLN HB3 3.407 . 4.858 4.602 4.298 4.784 . 0 0 "[ . 1]" 1
1045 1 90 GLN HA 1 90 GLN HB3 2.394 . 3.111 3.007 2.995 3.013 . 0 0 "[ . 1]" 1
1046 1 87 ALA HA 1 90 GLN HB2 2.626 . 3.488 2.245 2.103 2.573 . 0 0 "[ . 1]" 1
1047 1 87 ALA MB 1 90 GLN HB2 2.906 . 3.962 3.708 3.549 3.943 . 0 0 "[ . 1]" 1
1048 1 90 GLN H 1 90 GLN QG 2.699 . 3.910 3.834 3.784 3.870 . 0 0 "[ . 1]" 1
1049 1 90 GLN QG 1 91 ARG H 2.946 . 4.003 3.181 2.753 3.534 . 0 0 "[ . 1]" 1
1050 1 90 GLN HE22 1 90 GLN QG 2.765 . 3.721 3.249 3.220 3.310 . 0 0 "[ . 1]" 1
1051 1 90 GLN HB3 1 90 GLN QG 1.907 . 2.362 2.218 2.089 2.399 0.037 4 0 "[ . 1]" 1
1052 1 90 GLN QG 1 94 VAL QG 2.479 . 2.786 2.100 1.958 2.284 . 0 0 "[ . 1]" 1
1053 1 91 ARG HA 1 95 ALA H 3.096 . 4.294 4.085 3.939 4.227 . 0 0 "[ . 1]" 1
1054 1 91 ARG HB3 1 91 ARG HG2 2.289 . 2.944 2.292 2.237 2.332 . 0 0 "[ . 1]" 1
1055 1 91 ARG HA 1 91 ARG HB3 2.464 . 3.223 2.637 2.594 2.659 . 0 0 "[ . 1]" 1
1056 1 88 GLU HA 1 91 ARG HB3 2.771 . 3.730 3.810 3.733 3.876 0.146 9 0 "[ . 1]" 1
1057 1 91 ARG H 1 91 ARG HB2 2.377 . 3.083 2.143 2.093 2.233 . 0 0 "[ . 1]" 1
1058 1 91 ARG H 1 91 ARG HB3 2.407 . 3.131 3.405 3.381 3.449 0.318 2 0 "[ . 1]" 1
1059 1 91 ARG HB3 1 92 TRP H 2.940 . 4.020 3.114 3.005 3.195 . 0 0 "[ . 1]" 1
1060 1 91 ARG HB2 1 92 TRP H 2.764 . 3.719 2.732 2.686 2.789 . 0 0 "[ . 1]" 1
1061 1 91 ARG HB2 1 91 ARG HG2 2.190 . 2.790 2.938 2.918 2.949 0.159 7 0 "[ . 1]" 1
1062 1 91 ARG HB2 1 91 ARG HG3 2.125 . 2.690 2.513 2.461 2.595 . 0 0 "[ . 1]" 1
1063 1 91 ARG HA 1 91 ARG HG3 2.494 . 3.272 2.530 2.388 2.693 . 0 0 "[ . 1]" 1
1064 1 91 ARG HA 1 91 ARG HG2 2.385 . 3.096 2.534 2.455 2.683 . 0 0 "[ . 1]" 1
1065 1 91 ARG H 1 91 ARG HG3 2.489 . 3.263 2.517 2.426 2.583 . 0 0 "[ . 1]" 1
1066 1 91 ARG H 1 91 ARG HG2 2.662 . 3.548 3.757 3.647 3.814 0.266 3 0 "[ . 1]" 1
1067 1 92 TRP H 1 92 TRP HA 2.517 . 3.309 2.835 2.815 2.847 . 0 0 "[ . 1]" 1
1068 1 92 TRP HA 1 95 ALA H 2.769 . 3.727 3.334 3.280 3.394 . 0 0 "[ . 1]" 1
1069 1 92 TRP HA 1 92 TRP HE3 2.639 . 3.510 2.665 2.568 2.755 . 0 0 "[ . 1]" 1
1070 1 92 TRP HA 1 93 LEU H 3.071 . 4.250 3.621 3.590 3.650 . 0 0 "[ . 1]" 1
1071 1 92 TRP HA 1 92 TRP HB2 2.495 . 3.273 2.989 2.981 3.000 . 0 0 "[ . 1]" 1
1072 1 92 TRP HA 1 92 TRP HB3 2.405 . 3.128 2.538 2.528 2.547 . 0 0 "[ . 1]" 1
1073 1 92 TRP HA 1 96 LEU HG 2.917 . 3.981 3.421 3.307 3.499 . 0 0 "[ . 1]" 1
1074 1 92 TRP HA 1 95 ALA MB 2.334 . 3.015 3.043 2.990 3.096 0.081 8 0 "[ . 1]" 1
1075 1 92 TRP HA 1 96 LEU MD1 2.681 . 3.580 3.663 3.629 3.726 0.146 3 0 "[ . 1]" 1
1076 1 92 TRP HB3 1 93 LEU HA 2.973 . 4.078 4.226 4.189 4.264 0.186 2 0 "[ . 1]" 1
1077 1 92 TRP HB2 1 93 LEU MD1 2.740 . 3.679 2.531 2.393 2.813 . 0 0 "[ . 1]" 1
1078 1 92 TRP HB3 1 92 TRP HE3 2.838 . 3.845 2.728 2.660 2.789 . 0 0 "[ . 1]" 1
1079 1 92 TRP HB3 1 92 TRP HD1 3.043 . 4.200 3.728 3.706 3.752 . 0 0 "[ . 1]" 1
1080 1 92 TRP HB2 1 92 TRP HD1 3.187 . 4.457 2.590 2.565 2.605 . 0 0 "[ . 1]" 1
1081 1 92 TRP HB2 1 92 TRP HE3 3.017 . 4.154 4.149 4.123 4.175 0.021 4 0 "[ . 1]" 1
1082 1 92 TRP H 1 92 TRP HB2 2.567 . 3.390 2.265 2.243 2.298 . 0 0 "[ . 1]" 1
1083 1 92 TRP H 1 92 TRP HB3 2.545 . 3.355 3.515 3.503 3.521 0.166 3 0 "[ . 1]" 1
1084 1 92 TRP HB2 1 93 LEU H 3.037 . 4.190 2.452 2.383 2.528 . 0 0 "[ . 1]" 1
1085 1 93 LEU H 1 93 LEU HA 2.508 . 3.295 2.730 2.711 2.748 . 0 0 "[ . 1]" 1
1086 1 93 LEU HA 1 96 LEU H 2.981 . 4.092 3.970 3.798 4.137 0.045 4 0 "[ . 1]" 1
1087 1 93 LEU HA 1 94 VAL H 2.645 . 3.520 3.478 3.469 3.495 . 0 0 "[ . 1]" 1
1088 1 93 LEU HA 1 96 LEU HB2 2.776 . 3.739 2.741 2.634 2.978 . 0 0 "[ . 1]" 1
1089 1 61 VAL QG 1 93 LEU HA 2.583 . 3.417 3.449 3.204 3.568 0.151 8 0 "[ . 1]" 1
1090 1 93 LEU H 1 93 LEU HB2 2.458 . 3.213 2.480 2.378 2.621 . 0 0 "[ . 1]" 1
1091 1 93 LEU H 1 93 LEU HB3 2.571 . 3.397 3.524 3.497 3.555 0.158 6 0 "[ . 1]" 1
1092 1 93 LEU HB2 1 94 VAL H 2.610 . 3.461 2.506 2.405 2.548 . 0 0 "[ . 1]" 1
1093 1 93 LEU HB3 1 94 VAL H 2.693 . 3.599 3.574 3.413 3.680 0.081 8 0 "[ . 1]" 1
1094 1 93 LEU HA 1 93 LEU HB3 2.266 . 2.908 2.466 2.407 2.515 . 0 0 "[ . 1]" 1
1095 1 93 LEU HA 1 93 LEU HB2 2.277 . 2.925 2.988 2.985 2.991 0.066 2 0 "[ . 1]" 1
1096 1 93 LEU H 1 93 LEU HG 2.538 . 3.343 3.730 3.690 3.763 0.420 4 0 "[ . 1]" 1
1097 1 93 LEU HA 1 93 LEU HG 2.633 . 3.500 3.201 3.014 3.465 . 0 0 "[ . 1]" 1
1098 1 93 LEU HB3 1 93 LEU HG 2.613 . 3.467 2.212 2.187 2.248 . 0 0 "[ . 1]" 1
1099 1 93 LEU MD2 1 93 LEU HG 2.024 . 2.536 2.105 2.095 2.110 . 0 0 "[ . 1]" 1
1100 1 93 LEU H 1 93 LEU MD1 2.337 . 3.019 1.710 1.613 1.920 0.042 5 0 "[ . 1]" 1
1101 1 93 LEU MD1 1 94 VAL H 2.930 . 4.003 3.962 3.864 4.086 0.083 8 0 "[ . 1]" 1
1102 1 93 LEU H 1 93 LEU MD2 2.403 . 3.125 2.576 1.902 2.931 . 0 0 "[ . 1]" 1
1103 1 93 LEU MD2 1 94 VAL H 2.854 . 3.872 3.868 3.551 4.017 0.145 1 0 "[ . 1]" 1
1104 1 93 LEU HA 1 93 LEU MD1 1.836 . 2.257 2.125 2.007 2.242 . 0 0 "[ . 1]" 1
1105 1 90 GLN HA 1 93 LEU MD2 2.218 . 2.833 2.082 1.893 2.162 . 0 0 "[ . 1]" 1
1106 1 61 VAL HB 1 93 LEU MD1 2.588 . 3.425 2.753 2.152 3.586 0.161 5 0 "[ . 1]" 1
1107 1 69 MET ME 1 93 LEU MD1 2.184 . 2.780 2.060 1.814 2.686 . 0 0 "[ . 1]" 1
1108 1 61 VAL HB 1 93 LEU MD2 2.951 . 4.040 2.752 2.240 3.153 . 0 0 "[ . 1]" 1
1109 1 90 GLN HB2 1 93 LEU MD2 2.841 . 3.850 3.882 3.779 3.963 0.113 7 0 "[ . 1]" 1
1110 1 69 MET ME 1 93 LEU MD2 2.451 . 3.202 3.285 3.066 3.434 0.232 5 0 "[ . 1]" 1
1111 1 94 VAL H 1 94 VAL HA 2.200 . 2.805 2.744 2.733 2.759 . 0 0 "[ . 1]" 1
1112 1 94 VAL HA 1 95 ALA H 2.494 . 3.271 3.515 3.505 3.532 0.261 1 0 "[ . 1]" 1
1113 1 94 VAL HA 1 94 VAL HB 2.259 . 2.897 2.983 2.980 2.986 0.089 6 0 "[ . 1]" 1
1114 1 94 VAL H 1 94 VAL HB 2.197 . 2.800 2.242 2.206 2.304 . 0 0 "[ . 1]" 1
1115 1 94 VAL HB 1 95 ALA H 2.383 . 3.093 2.299 2.202 2.441 . 0 0 "[ . 1]" 1
1116 1 94 VAL QG 1 95 ALA H 2.271 . 2.916 2.641 2.471 2.800 . 0 0 "[ . 1]" 1
1117 1 94 VAL H 1 94 VAL QG . . 2.285 2.209 2.097 2.266 . 0 0 "[ . 1]" 1
1118 1 94 VAL MG1 1 94 VAL MG2 1.605 . 1.927 2.041 2.034 2.046 0.119 5 0 "[ . 1]" 1
1119 1 91 ARG HA 1 94 VAL QG 2.217 . 2.831 2.676 2.536 2.740 . 0 0 "[ . 1]" 1
1120 1 95 ALA H 1 95 ALA HA 2.298 . 2.958 2.830 2.801 2.872 . 0 0 "[ . 1]" 1
1121 1 95 ALA HA 1 96 LEU H 2.971 . 4.074 3.537 3.522 3.555 . 0 0 "[ . 1]" 1
1122 1 9 MET HB2 1 95 ALA MB 2.024 . 2.536 2.209 2.026 2.576 0.040 4 0 "[ . 1]" 1
1123 1 95 ALA MB 1 96 LEU HG 2.456 . 3.210 3.164 3.005 3.234 0.024 7 0 "[ . 1]" 1
1124 1 94 VAL HB 1 95 ALA MB 2.673 . 3.566 3.684 3.657 3.717 0.151 4 0 "[ . 1]" 1
1125 1 95 ALA HA 1 95 ALA MB 1.758 . 2.144 2.106 2.101 2.114 . 0 0 "[ . 1]" 1
1126 1 96 LEU HA 1 97 GLY H 2.964 . 4.062 3.588 3.558 3.617 . 0 0 "[ . 1]" 1
1127 1 96 LEU HB3 1 97 GLY H 2.842 . 3.851 3.250 3.121 3.365 . 0 0 "[ . 1]" 1
1128 1 96 LEU HB2 1 97 GLY H 2.929 . 4.001 2.296 2.144 2.394 . 0 0 "[ . 1]" 1
1129 1 96 LEU H 1 96 LEU HB3 2.642 . 3.514 3.536 3.524 3.543 0.029 5 0 "[ . 1]" 1
1130 1 96 LEU H 1 96 LEU HB2 2.793 . 3.768 2.425 2.370 2.469 . 0 0 "[ . 1]" 1
1131 1 96 LEU HB3 1 96 LEU HG 2.971 . 4.074 3.012 3.010 3.016 . 0 0 "[ . 1]" 1
1132 1 96 LEU HB3 1 96 LEU MD2 2.642 . 3.515 2.265 2.222 2.303 . 0 0 "[ . 1]" 1
1133 1 96 LEU HB2 1 96 LEU MD2 2.696 . 3.605 3.172 3.153 3.186 . 0 0 "[ . 1]" 1
1134 1 96 LEU H 1 96 LEU HG 2.603 . 3.450 2.159 2.084 2.213 . 0 0 "[ . 1]" 1
1135 1 92 TRP HE3 1 96 LEU HG 2.892 . 3.938 2.871 2.774 2.999 . 0 0 "[ . 1]" 1
1136 1 96 LEU HA 1 96 LEU HG 2.775 . 3.737 2.885 2.829 2.932 . 0 0 "[ . 1]" 1
1137 1 96 LEU HB2 1 96 LEU HG 2.968 . 4.069 2.537 2.518 2.550 . 0 0 "[ . 1]" 1
1138 1 96 LEU H 1 96 LEU MD1 2.593 . 3.433 3.369 3.329 3.434 0.001 5 0 "[ . 1]" 1
1139 1 93 LEU H 1 96 LEU MD1 3.203 . 4.485 3.642 3.469 3.819 . 0 0 "[ . 1]" 1
1140 1 96 LEU MD1 1 97 GLY H 3.091 . 4.285 4.196 4.039 4.287 0.002 10 0 "[ . 1]" 1
1141 1 92 TRP HE3 1 96 LEU MD1 2.537 . 3.342 2.964 2.717 3.151 . 0 0 "[ . 1]" 1
1142 1 93 LEU HA 1 96 LEU MD1 2.310 . 2.977 2.689 2.365 2.995 0.018 2 0 "[ . 1]" 1
1143 1 92 TRP HB3 1 96 LEU MD1 2.804 . 3.787 2.396 2.295 2.467 . 0 0 "[ . 1]" 1
1144 1 96 LEU MD1 1 96 LEU HG 2.253 . 2.887 2.118 2.111 2.124 . 0 0 "[ . 1]" 1
1145 1 96 LEU HB3 1 96 LEU MD1 2.184 . 2.780 2.471 2.432 2.496 . 0 0 "[ . 1]" 1
1146 1 59 ILE HB 1 96 LEU MD1 2.356 . 3.050 2.298 2.104 2.501 . 0 0 "[ . 1]" 1
1147 1 96 LEU HB2 1 96 LEU MD1 2.225 . 2.844 2.293 2.255 2.324 . 0 0 "[ . 1]" 1
1148 1 96 LEU H 1 96 LEU MD2 2.495 . 3.273 3.410 3.348 3.444 0.171 10 0 "[ . 1]" 1
1149 1 92 TRP HE3 1 96 LEU MD2 2.496 . 3.275 3.176 3.072 3.294 0.019 10 0 "[ . 1]" 1
1150 1 92 TRP HZ3 1 96 LEU MD2 2.786 . 3.756 3.844 3.783 3.906 0.150 10 0 "[ . 1]" 1
1151 1 96 LEU HA 1 96 LEU MD2 1.962 . 2.443 2.051 2.003 2.133 . 0 0 "[ . 1]" 1
1152 1 54 MET HG3 1 96 LEU MD2 2.766 . 3.722 3.089 1.870 3.429 . 0 0 "[ . 1]" 1
1153 1 96 LEU MD2 1 96 LEU HG 2.068 . 2.602 2.113 2.109 2.116 . 0 0 "[ . 1]" 1
1154 1 54 MET HG2 1 96 LEU MD2 2.570 . 3.395 2.065 1.748 3.333 . 0 0 "[ . 1]" 1
1155 1 54 MET QB 1 96 LEU MD2 1.968 . 2.452 2.513 2.364 2.627 0.175 5 0 "[ . 1]" 1
1156 1 96 LEU MD1 1 96 LEU MD2 1.594 . 1.912 2.054 2.044 2.061 0.149 8 0 "[ . 1]" 1
1157 1 97 GLY HA3 1 98 SER H 3.103 . 4.307 3.262 3.135 3.291 . 0 0 "[ . 1]" 1
1158 1 97 GLY HA2 1 98 SER H 3.256 . 4.582 3.371 3.346 3.491 . 0 0 "[ . 1]" 1
1159 1 98 SER H 1 98 SER HA 2.502 . 3.284 2.867 2.802 2.915 . 0 0 "[ . 1]" 1
1160 1 98 SER HA 1 101 ALA MB 2.371 . 3.074 2.631 1.962 3.251 0.177 5 0 "[ . 1]" 1
1161 1 98 SER H 1 98 SER HB3 2.360 . 3.056 2.555 2.486 2.654 . 0 0 "[ . 1]" 1
1162 1 98 SER H 1 98 SER HB2 2.387 . 3.099 2.646 2.488 2.779 . 0 0 "[ . 1]" 1
1163 1 98 SER HA 1 98 SER HB3 2.284 . 2.936 3.021 3.018 3.029 0.093 5 0 "[ . 1]" 1
1164 1 98 SER HA 1 98 SER HB2 2.259 . 2.897 2.479 2.456 2.511 . 0 0 "[ . 1]" 1
1165 1 99 SER HA 1 99 SER HB3 2.151 . 2.729 2.954 2.297 3.030 0.301 1 0 "[ . 1]" 1
1166 1 99 SER HA 1 99 SER HB2 2.347 . 3.036 2.522 2.477 2.639 . 0 0 "[ . 1]" 1
1167 1 100 LYS H 1 100 LYS HA 2.922 . 3.989 2.905 2.878 2.933 . 0 0 "[ . 1]" 1
1168 1 100 LYS QE 1 100 LYS QG 2.593 . 3.350 1.998 1.918 2.030 . 0 0 "[ . 1]" 1
1169 1 100 LYS QG 1 103 LEU QB 2.089 . 2.455 1.849 1.725 2.010 . 0 0 "[ . 1]" 1
1170 1 100 LYS HD3 1 100 LYS QE 2.204 . 2.811 2.347 2.212 2.431 . 0 0 "[ . 1]" 1
1171 1 59 ILE MG 1 100 LYS HD2 2.622 . 3.481 2.862 2.380 3.413 . 0 0 "[ . 1]" 1
1172 1 59 ILE MG 1 100 LYS HD3 2.552 . 3.366 3.046 2.539 3.466 0.100 4 0 "[ . 1]" 1
1173 1 100 LYS QE 1 103 LEU QB 2.028 . 2.542 2.580 2.460 2.669 0.127 2 0 "[ . 1]" 1
1174 1 101 ALA H 1 101 ALA HA 2.643 . 3.516 2.771 2.732 2.793 . 0 0 "[ . 1]" 1
1175 1 97 GLY HA3 1 101 ALA MB 2.676 . 3.571 4.035 3.699 4.295 0.724 4 4 "[** +.- 1]" 1
1176 1 101 ALA HA 1 101 ALA MB 1.771 . 2.163 2.115 2.105 2.126 . 0 0 "[ . 1]" 1
1177 1 97 GLY HA3 1 101 ALA HA 2.902 . 3.955 4.449 3.917 4.938 0.983 6 4 "[** -.+ 1]" 1
1178 1 101 ALA MB 1 102 CYS HA 2.849 . 3.864 3.956 3.867 4.026 0.162 7 0 "[ . 1]" 1
1179 1 103 LEU QB 1 103 LEU MD2 2.084 . 2.627 2.106 2.053 2.207 . 0 0 "[ . 1]" 1
1180 1 103 LEU HA 1 103 LEU HG 2.815 . 3.805 3.094 2.587 3.630 . 0 0 "[ . 1]" 1
1181 1 103 LEU HA 1 103 LEU MD1 2.025 . 2.537 1.963 1.858 2.256 . 0 0 "[ . 1]" 1
1182 1 3 LEU HA 1 103 LEU MD1 2.179 . 2.772 2.574 2.036 2.865 0.093 3 0 "[ . 1]" 1
1183 1 103 LEU MD1 1 103 LEU HG 1.863 . 2.297 2.116 2.103 2.125 . 0 0 "[ . 1]" 1
1184 1 103 LEU QB 1 103 LEU MD1 1.884 . 2.328 2.363 2.287 2.470 0.142 1 0 "[ . 1]" 1
1185 1 55 ALA HA 1 103 LEU MD2 2.494 . 3.272 2.423 2.091 3.076 . 0 0 "[ . 1]" 1
1186 1 103 LEU QB 1 103 LEU HG 1.908 . 2.463 2.225 2.104 2.315 . 0 0 "[ . 1]" 1
1187 1 55 ALA MB 1 103 LEU HG 2.909 . 3.967 3.674 2.783 4.098 0.131 2 0 "[ . 1]" 1
1188 1 103 LEU HA 1 103 LEU MD2 3.030 . 4.178 3.576 2.933 3.813 . 0 0 "[ . 1]" 1
1189 1 104 THR HB 1 104 THR MG 1.774 . 2.168 2.133 2.126 2.136 . 0 0 "[ . 1]" 1
1190 1 104 THR HA 1 104 THR MG 2.026 . 2.539 2.314 2.280 2.350 . 0 0 "[ . 1]" 1
1191 1 106 THR HA 1 106 THR MG 2.171 . 2.760 2.320 2.243 2.413 . 0 0 "[ . 1]" 1
1192 1 104 THR HA 1 104 THR HB 1.974 . 2.461 2.491 2.453 2.514 0.053 9 0 "[ . 1]" 1
1193 1 106 THR HB 1 106 THR MG 1.772 . 2.164 2.135 2.129 2.137 . 0 0 "[ . 1]" 1
1194 1 107 ARG HA 1 107 ARG HB2 2.480 . 3.249 2.519 2.339 3.023 . 0 0 "[ . 1]" 1
1195 1 107 ARG HA 1 107 ARG HB3 2.801 . 3.782 2.741 2.393 3.026 . 0 0 "[ . 1]" 1
1196 1 108 THR H 1 108 THR HA 2.747 . 3.690 2.769 2.259 2.935 . 0 0 "[ . 1]" 1
1197 1 108 THR H 1 108 THR HB 2.861 . 3.884 3.571 3.048 3.957 0.073 8 0 "[ . 1]" 1
1198 1 108 THR HA 1 108 THR MG 2.458 . 3.213 2.761 2.302 3.202 . 0 0 "[ . 1]" 1
1199 1 108 THR HB 1 108 THR MG 1.946 . 2.419 2.129 2.122 2.135 . 0 0 "[ . 1]" 1
1200 1 42 ASP H 1 42 ASP HB2 2.663 . 3.549 3.206 2.329 3.651 0.102 8 0 "[ . 1]" 1
1201 1 42 ASP H 1 42 ASP HB3 2.683 . 3.583 2.726 2.449 3.590 0.007 9 0 "[ . 1]" 1
1202 1 42 ASP HB2 1 43 ASP H 2.922 . 3.989 4.014 3.144 4.221 0.232 6 0 "[ . 1]" 1
1203 1 86 ALA HA 1 89 ARG H 2.643 . 3.516 3.024 2.954 3.137 . 0 0 "[ . 1]" 1
1204 1 70 GLU HB3 1 80 TYR HA 2.807 . 3.792 2.943 2.300 3.638 . 0 0 "[ . 1]" 1
1205 1 70 GLU HG2 1 80 TYR HA 2.786 . 3.756 3.556 2.830 3.813 0.057 10 0 "[ . 1]" 1
1206 1 16 TRP HZ2 1 19 TYR HA 2.483 . 3.254 2.527 1.869 3.295 0.041 10 0 "[ . 1]" 1
1207 1 92 TRP HB3 1 96 LEU MD2 3.173 . 4.431 4.250 4.068 4.367 . 0 0 "[ . 1]" 1
1208 1 35 LEU HG 1 96 LEU MD2 2.494 . 3.272 2.293 2.002 2.682 . 0 0 "[ . 1]" 1
1209 1 16 TRP HA 1 16 TRP HE3 3.305 . 4.670 2.893 2.525 3.375 . 0 0 "[ . 1]" 1
1210 1 83 ALA HA 1 83 ALA MB 3.168 . 4.422 2.115 2.104 2.122 . 0 0 "[ . 1]" 1
1211 1 28 PHE QE 1 35 LEU HG 3.115 . 4.328 4.606 4.557 4.654 0.326 6 0 "[ . 1]" 1
1212 1 14 TYR HB3 1 14 TYR QD 2.988 . 4.104 2.390 2.262 2.591 . 0 0 "[ . 1]" 1
1213 1 14 TYR HB2 1 14 TYR QD 3.006 . 4.135 2.587 2.328 2.720 . 0 0 "[ . 1]" 1
1214 1 36 SER HA 1 37 TYR QB 3.293 . 4.648 4.265 3.825 4.557 . 0 0 "[ . 1]" 1
1215 1 37 TYR QB 1 37 TYR QD 3.107 . 4.313 2.135 2.119 2.142 . 0 0 "[ . 1]" 1
1216 1 38 TYR HB3 1 40 SER H 2.940 . 4.021 3.380 2.687 3.681 . 0 0 "[ . 1]" 1
1217 1 38 TYR HB3 1 43 ASP H 3.025 . 4.169 4.197 4.084 4.296 0.127 5 0 "[ . 1]" 1
1218 1 38 TYR HB2 1 38 TYR QD 3.185 . 4.453 2.348 2.293 2.424 . 0 0 "[ . 1]" 1
1219 1 64 ALA MB 1 65 ASP H 2.860 . 3.882 2.931 1.823 3.705 0.015 7 0 "[ . 1]" 1
1220 1 66 ASN HD22 1 86 ALA MB 2.981 . 4.092 4.146 3.292 4.458 0.366 6 0 "[ . 1]" 1
1221 1 66 ASN HD21 1 86 ALA MB 3.147 . 4.385 3.488 2.510 4.367 . 0 0 "[ . 1]" 1
1222 1 86 ALA MB 1 89 ARG H 2.962 . 4.058 4.339 4.289 4.361 0.303 9 0 "[ . 1]" 1
1223 1 86 ALA MB 1 87 ALA H 2.365 . 3.064 2.496 2.376 2.592 . 0 0 "[ . 1]" 1
1224 1 66 ASN HB3 1 86 ALA MB 2.429 . 3.167 2.493 1.897 3.428 0.261 8 0 "[ . 1]" 1
1225 1 66 ASN HB2 1 86 ALA MB 2.575 . 3.404 2.973 1.929 3.497 0.093 7 0 "[ . 1]" 1
1226 1 86 ALA MB 1 89 ARG HB3 2.848 . 3.862 3.684 3.541 4.004 0.142 1 0 "[ . 1]" 1
1227 1 27 TRP HZ2 1 44 VAL MG2 2.597 . 3.440 3.181 3.057 3.313 . 0 0 "[ . 1]" 1
1228 1 9 MET ME 1 92 TRP HE1 2.289 . 2.944 2.841 2.763 3.015 0.071 4 0 "[ . 1]" 1
1229 1 9 MET ME 1 92 TRP H 2.489 . 3.263 2.719 2.388 2.916 . 0 0 "[ . 1]" 1
1230 1 9 MET ME 1 92 TRP HD1 2.358 . 3.053 3.139 3.002 3.194 0.141 7 0 "[ . 1]" 1
1231 1 9 MET ME 1 92 TRP HE3 2.648 . 3.525 3.761 3.662 3.801 0.276 9 0 "[ . 1]" 1
1232 1 9 MET ME 1 92 TRP HZ2 2.495 . 3.273 3.275 3.137 3.365 0.092 1 0 "[ . 1]" 1
1233 1 9 MET ME 1 92 TRP HA 2.062 . 2.593 2.613 2.560 2.663 0.070 4 0 "[ . 1]" 1
1234 1 9 MET ME 1 91 ARG HA 2.522 . 3.317 3.585 3.542 3.627 0.310 5 0 "[ . 1]" 1
1235 1 9 MET ME 1 91 ARG HB2 2.127 . 2.693 2.526 2.388 2.658 . 0 0 "[ . 1]" 1
1236 1 9 MET ME 1 91 ARG HB3 2.062 . 2.593 1.604 1.589 1.631 . 0 0 "[ . 1]" 1
1237 1 9 MET ME 1 91 ARG HG2 2.288 . 2.943 3.245 3.176 3.287 0.344 9 0 "[ . 1]" 1
1238 1 9 MET ME 1 13 LEU MD2 3.052 . 4.216 4.319 4.228 4.394 0.178 1 0 "[ . 1]" 1
1239 1 58 GLU H 1 72 ILE MG 3.077 . 4.261 4.557 4.480 4.604 0.343 7 0 "[ . 1]" 1
1240 1 60 LYS H 1 72 ILE MG 2.992 . 4.111 4.047 3.737 4.202 0.091 7 0 "[ . 1]" 1
1241 1 73 ILE MD 1 76 GLU H 2.843 . 3.853 2.712 1.856 3.294 . 0 0 "[ . 1]" 1
1242 1 90 GLN H 1 91 ARG HB2 3.262 . 4.592 4.282 4.113 4.373 . 0 0 "[ . 1]" 1
1243 1 90 GLN HE21 1 94 VAL QG 2.962 . 4.058 2.096 1.792 3.120 0.074 9 0 "[ . 1]" 1
1244 1 55 ALA MB 1 107 ARG HB3 2.699 . 3.609 2.766 1.857 3.679 0.070 3 0 "[ . 1]" 1
1245 1 100 LYS HA 1 101 ALA H 2.991 . 4.109 3.254 3.198 3.304 . 0 0 "[ . 1]" 1
1246 1 100 LYS HA 1 103 LEU H 3.292 . 4.647 3.304 3.058 3.557 . 0 0 "[ . 1]" 1
1247 1 27 TRP HE1 1 44 VAL MG1 2.675 . 3.570 2.755 2.592 2.860 . 0 0 "[ . 1]" 1
1248 1 43 ASP H 1 44 VAL MG2 2.684 . 3.585 3.215 3.030 3.361 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 66
_Distance_constraint_stats_list.Viol_count 150
_Distance_constraint_stats_list.Viol_total 97.743
_Distance_constraint_stats_list.Viol_max 0.267
_Distance_constraint_stats_list.Viol_rms 0.0387
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0148
_Distance_constraint_stats_list.Viol_average_violations_only 0.0652
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 MET 1.312 0.157 5 0 "[ . 1]"
1 11 GLY 0.320 0.093 8 0 "[ . 1]"
1 13 LEU 0.057 0.036 4 0 "[ . 1]"
1 14 TYR 0.860 0.136 5 0 "[ . 1]"
1 15 LYS 0.232 0.069 8 0 "[ . 1]"
1 24 GLN 0.232 0.069 8 0 "[ . 1]"
1 26 ARG 0.057 0.036 4 0 "[ . 1]"
1 27 TRP 0.589 0.097 3 0 "[ . 1]"
1 28 PHE 0.320 0.093 8 0 "[ . 1]"
1 29 VAL 0.125 0.058 4 0 "[ . 1]"
1 30 LEU 1.312 0.157 5 0 "[ . 1]"
1 31 ASP 0.277 0.072 8 0 "[ . 1]"
1 34 ILE 0.277 0.072 8 0 "[ . 1]"
1 35 LEU 0.299 0.090 8 0 "[ . 1]"
1 36 SER 0.125 0.058 4 0 "[ . 1]"
1 37 TYR 0.311 0.107 6 0 "[ . 1]"
1 38 TYR 0.589 0.097 3 0 "[ . 1]"
1 40 SER 0.744 0.164 8 0 "[ . 1]"
1 43 ASP 0.354 0.204 4 0 "[ . 1]"
1 46 LYS 0.354 0.204 4 0 "[ . 1]"
1 50 GLY 0.311 0.107 6 0 "[ . 1]"
1 52 ILE 0.299 0.090 8 0 "[ . 1]"
1 57 CYS 1.972 0.267 5 0 "[ . 1]"
1 58 GLU 0.000 0.000 . 0 "[ . 1]"
1 60 LYS 0.454 0.096 3 0 "[ . 1]"
1 69 MET 0.434 0.154 2 0 "[ . 1]"
1 70 GLU 0.454 0.096 3 0 "[ . 1]"
1 71 LEU 0.002 0.002 1 0 "[ . 1]"
1 72 ILE 0.000 0.000 . 0 "[ . 1]"
1 79 PHE 0.002 0.002 1 0 "[ . 1]"
1 81 MET 0.434 0.154 2 0 "[ . 1]"
1 82 LYS 0.860 0.136 5 0 "[ . 1]"
1 85 ASN 0.000 0.000 . 0 "[ . 1]"
1 88 GLU 0.273 0.096 8 0 "[ . 1]"
1 89 ARG 0.023 0.019 1 0 "[ . 1]"
1 90 GLN 0.743 0.105 10 0 "[ . 1]"
1 91 ARG 0.000 0.000 . 0 "[ . 1]"
1 92 TRP 0.405 0.096 8 0 "[ . 1]"
1 93 LEU 0.023 0.019 1 0 "[ . 1]"
1 94 VAL 0.743 0.105 10 0 "[ . 1]"
1 95 ALA 0.138 0.098 5 0 "[ . 1]"
1 96 LEU 0.255 0.073 5 0 "[ . 1]"
1 99 SER 0.138 0.098 5 0 "[ . 1]"
1 100 LYS 0.123 0.073 5 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 96 LEU O 1 100 LYS H 2.300 . 2.400 2.155 1.816 2.473 0.073 5 0 "[ . 1]" 2
2 1 96 LEU O 1 100 LYS N 3.300 2.600 3.400 3.054 2.738 3.341 . 0 0 "[ . 1]" 2
3 1 95 ALA O 1 99 SER H 2.300 . 2.400 2.198 1.916 2.498 0.098 5 0 "[ . 1]" 2
4 1 95 ALA O 1 99 SER N 3.300 2.600 3.400 3.098 2.858 3.434 0.034 5 0 "[ . 1]" 2
5 1 92 TRP O 1 96 LEU H 2.300 . 2.400 1.804 1.752 1.853 0.048 3 0 "[ . 1]" 2
6 1 92 TRP O 1 96 LEU N 3.300 2.600 3.400 2.757 2.714 2.805 . 0 0 "[ . 1]" 2
7 1 91 ARG O 1 95 ALA H 2.300 . 2.400 2.035 1.851 2.195 . 0 0 "[ . 1]" 2
8 1 91 ARG O 1 95 ALA N 3.300 2.600 3.400 2.970 2.820 3.079 . 0 0 "[ . 1]" 2
9 1 90 GLN O 1 94 VAL H 2.300 . 2.400 1.726 1.695 1.753 0.105 10 0 "[ . 1]" 2
10 1 90 GLN O 1 94 VAL N 3.300 2.600 3.400 2.678 2.634 2.715 . 0 0 "[ . 1]" 2
11 1 89 ARG O 1 93 LEU H 2.300 . 2.400 2.219 2.038 2.419 0.019 1 0 "[ . 1]" 2
12 1 89 ARG O 1 93 LEU N 3.300 2.600 3.400 3.191 3.015 3.404 0.004 1 0 "[ . 1]" 2
13 1 88 GLU O 1 92 TRP H 2.300 . 2.400 2.392 2.247 2.496 0.096 8 0 "[ . 1]" 2
14 1 88 GLU O 1 92 TRP N 3.300 2.600 3.400 3.270 3.142 3.382 . 0 0 "[ . 1]" 2
15 1 85 ASN O 1 89 ARG H 2.300 . 2.400 2.071 1.956 2.253 . 0 0 "[ . 1]" 2
16 1 85 ASN O 1 89 ARG N 3.300 2.600 3.400 3.010 2.914 3.098 . 0 0 "[ . 1]" 2
17 1 14 TYR O 1 82 LYS H 2.300 . 2.400 1.719 1.664 1.775 0.136 5 0 "[ . 1]" 2
18 1 14 TYR O 1 82 LYS N 3.300 2.600 3.400 2.658 2.581 2.749 0.019 1 0 "[ . 1]" 2
19 1 69 MET O 1 81 MET H 2.300 . 2.400 2.319 1.967 2.554 0.154 2 0 "[ . 1]" 2
20 1 69 MET O 1 81 MET N 3.300 2.600 3.400 3.234 2.898 3.524 0.124 1 0 "[ . 1]" 2
21 1 58 GLU O 1 72 ILE H 2.300 . 2.400 2.063 1.918 2.127 . 0 0 "[ . 1]" 2
22 1 58 GLU O 1 72 ILE N 3.300 2.600 3.400 2.995 2.849 3.043 . 0 0 "[ . 1]" 2
23 1 71 LEU H 1 79 PHE O 2.300 . 2.400 2.067 1.798 2.384 0.002 1 0 "[ . 1]" 2
24 1 71 LEU N 1 79 PHE O 3.300 2.600 3.400 2.932 2.688 3.213 . 0 0 "[ . 1]" 2
25 1 60 LYS O 1 70 GLU H 2.300 . 2.400 1.806 1.704 2.315 0.096 3 0 "[ . 1]" 2
26 1 60 LYS O 1 70 GLU N 3.300 2.600 3.400 2.678 2.596 2.749 0.004 1 0 "[ . 1]" 2
27 1 60 LYS H 1 70 GLU O 2.300 . 2.400 1.954 1.810 2.057 . 0 0 "[ . 1]" 2
28 1 60 LYS N 1 70 GLU O 3.300 2.600 3.400 2.802 2.725 2.881 . 0 0 "[ . 1]" 2
29 1 57 CYS H 1 57 CYS O 2.300 . 2.400 2.597 2.481 2.667 0.267 5 0 "[ . 1]" 2
30 1 57 CYS N 1 57 CYS O 3.300 2.600 3.400 2.634 2.605 2.675 . 0 0 "[ . 1]" 2
31 1 43 ASP O 1 46 LYS H 2.300 . 2.400 2.257 1.877 2.604 0.204 4 0 "[ . 1]" 2
32 1 43 ASP O 1 46 LYS N 3.300 2.600 3.400 2.972 2.756 3.246 . 0 0 "[ . 1]" 2
33 1 40 SER H 1 40 SER O 2.300 . 2.400 2.456 2.308 2.564 0.164 8 0 "[ . 1]" 2
34 1 40 SER N 1 40 SER O 3.300 2.600 3.400 2.655 2.621 2.697 . 0 0 "[ . 1]" 2
35 1 27 TRP O 1 38 TYR H 2.300 . 2.400 1.866 1.730 2.130 0.070 8 0 "[ . 1]" 2
36 1 27 TRP O 1 38 TYR N 3.300 2.600 3.400 2.788 2.677 3.020 . 0 0 "[ . 1]" 2
37 1 37 TYR H 1 50 GLY O 2.300 . 2.400 2.240 1.832 2.507 0.107 6 0 "[ . 1]" 2
38 1 37 TYR N 1 50 GLY O 3.300 2.600 3.400 3.189 2.751 3.454 0.054 10 0 "[ . 1]" 2
39 1 29 VAL O 1 36 SER H 2.300 . 2.400 1.943 1.742 2.248 0.058 4 0 "[ . 1]" 2
40 1 29 VAL O 1 36 SER N 3.300 2.600 3.400 2.905 2.697 3.180 . 0 0 "[ . 1]" 2
41 1 35 LEU H 1 52 ILE O 2.300 . 2.400 1.773 1.710 1.815 0.090 8 0 "[ . 1]" 2
42 1 35 LEU N 1 52 ILE O 3.300 2.600 3.400 2.662 2.634 2.745 . 0 0 "[ . 1]" 2
43 1 31 ASP O 1 34 ILE H 2.300 . 2.400 2.203 2.050 2.408 0.008 9 0 "[ . 1]" 2
44 1 31 ASP O 1 34 ILE N 3.300 2.600 3.400 2.926 2.803 3.025 . 0 0 "[ . 1]" 2
45 1 31 ASP H 1 34 ILE O 2.300 . 2.400 1.774 1.728 1.805 0.072 8 0 "[ . 1]" 2
46 1 31 ASP N 1 34 ILE O 3.300 2.600 3.400 2.745 2.698 2.775 . 0 0 "[ . 1]" 2
47 1 9 MET O 1 30 LEU H 2.300 . 2.400 1.670 1.643 1.731 0.157 5 0 "[ . 1]" 2
48 1 9 MET O 1 30 LEU N 3.300 2.600 3.400 2.638 2.593 2.699 0.007 4 0 "[ . 1]" 2
49 1 29 VAL H 1 36 SER O 2.300 . 2.400 2.168 1.788 2.432 0.032 6 0 "[ . 1]" 2
50 1 29 VAL N 1 36 SER O 3.300 2.600 3.400 3.116 2.741 3.371 . 0 0 "[ . 1]" 2
51 1 11 GLY O 1 28 PHE H 2.300 . 2.400 2.169 2.073 2.401 0.001 7 0 "[ . 1]" 2
52 1 11 GLY O 1 28 PHE N 3.300 2.600 3.400 3.030 2.928 3.214 . 0 0 "[ . 1]" 2
53 1 27 TRP H 1 38 TYR O 2.300 . 2.400 2.408 2.206 2.497 0.097 3 0 "[ . 1]" 2
54 1 27 TRP N 1 38 TYR O 3.300 2.600 3.400 3.063 2.886 3.161 . 0 0 "[ . 1]" 2
55 1 13 LEU O 1 26 ARG H 2.300 . 2.400 2.187 1.957 2.362 . 0 0 "[ . 1]" 2
56 1 13 LEU O 1 26 ARG N 3.300 2.600 3.400 3.128 2.887 3.315 . 0 0 "[ . 1]" 2
57 1 15 LYS O 1 24 GLN H 2.300 . 2.400 2.199 1.835 2.469 0.069 8 0 "[ . 1]" 2
58 1 15 LYS O 1 24 GLN N 3.300 2.600 3.400 2.987 2.778 3.254 . 0 0 "[ . 1]" 2
59 1 15 LYS H 1 24 GLN O 2.300 . 2.400 2.074 1.746 2.413 0.054 1 0 "[ . 1]" 2
60 1 15 LYS N 1 24 GLN O 3.300 2.600 3.400 2.938 2.677 3.394 . 0 0 "[ . 1]" 2
61 1 14 TYR H 1 82 LYS O 2.300 . 2.400 2.226 1.920 2.419 0.019 10 0 "[ . 1]" 2
62 1 14 TYR N 1 82 LYS O 3.300 2.600 3.400 2.748 2.657 2.815 . 0 0 "[ . 1]" 2
63 1 13 LEU H 1 26 ARG O 2.300 . 2.400 1.851 1.764 2.037 0.036 4 0 "[ . 1]" 2
64 1 13 LEU N 1 26 ARG O 3.300 2.600 3.400 2.819 2.741 3.011 . 0 0 "[ . 1]" 2
65 1 11 GLY H 1 28 PHE O 2.300 . 2.400 1.773 1.707 1.851 0.093 8 0 "[ . 1]" 2
66 1 11 GLY N 1 28 PHE O 3.300 2.600 3.400 2.736 2.685 2.812 . 0 0 "[ . 1]" 2
stop_
save_
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