NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394424 |
1r7f   |
5978 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r7f
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 278
_Distance_constraint_stats_list.Viol_count 820
_Distance_constraint_stats_list.Viol_total 7502.855
_Distance_constraint_stats_list.Viol_max 0.978
_Distance_constraint_stats_list.Viol_rms 0.0781
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0146
_Distance_constraint_stats_list.Viol_average_violations_only 0.2128
_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 3 SER 2.985 0.229 18 0 "[ . 1 . 2 . 3 . 4 ]"
1 4 TRP 15.675 0.491 14 0 "[ . 1 . 2 . 3 . 4 ]"
1 5 LEU 20.060 0.909 32 8 "[ . 1 ** - 2 * * + . *4 * ]"
1 6 ARG 11.844 0.775 15 5 "[ * . 1 * + 2 * . 3 . 4- ]"
1 7 ASP 1.976 0.424 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 8 ILE 29.093 0.499 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 9 TRP 53.482 0.923 20 42 "[*** ***************+************-**********]"
1 10 ASP 12.410 0.511 33 1 "[ . 1 . 2 . 3 + . 4 ]"
1 11 TRP 15.344 0.440 21 0 "[ . 1 . 2 . 3 . 4 ]"
1 12 ILE 18.794 0.584 2 6 "[ + . 1* . *- * 3 . 4 *]"
1 13 CYS 0.110 0.065 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 14 GLU 2.868 0.189 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 15 VAL 0.336 0.223 28 0 "[ . 1 . 2 . 3 . 4 ]"
1 16 LEU 30.082 0.978 29 22 "[ -*** ***1 ** .* * 2 * . *+3* **** *** ]"
1 17 SER 11.057 0.406 7 0 "[ . 1 . 2 . 3 . 4 ]"
1 18 ASP 1.658 0.165 16 0 "[ . 1 . 2 . 3 . 4 ]"
1 19 PHE 2.976 0.225 17 0 "[ . 1 . 2 . 3 . 4 ]"
1 20 LYS 12.761 0.406 7 0 "[ . 1 . 2 . 3 . 4 ]"
1 21 THR 1.660 0.165 16 0 "[ . 1 . 2 . 3 . 4 ]"
1 22 TRP 6.639 0.473 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 23 LEU 4.146 0.380 30 0 "[ . 1 . 2 . 3 . 4 ]"
1 24 LYS 1.936 0.177 36 0 "[ . 1 . 2 . 3 . 4 ]"
1 25 ALA 0.020 0.020 9 0 "[ . 1 . 2 . 3 . 4 ]"
1 26 LYS 0.165 0.053 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 27 LEU 1.203 0.132 31 0 "[ . 1 . 2 . 3 . 4 ]"
1 28 MET 1.923 0.177 36 0 "[ . 1 . 2 . 3 . 4 ]"
1 29 PRO 0.395 0.394 3 0 "[ . 1 . 2 . 3 . 4 ]"
1 30 GLN 3.411 0.468 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 31 LEU 0.513 0.468 23 0 "[ . 1 . 2 . 3 . 4 ]"
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 3 SER H 1 3 SER HA 2.800 . 3.080 2.866 2.356 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
2 1 3 SER H 1 3 SER HB2 3.900 . 4.290 2.943 2.129 3.797 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
3 1 3 SER H 1 3 SER HB3 3.900 . 4.290 3.334 2.114 4.063 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
4 1 3 SER H 1 4 TRP H 2.800 . 3.080 2.602 2.132 3.167 0.087 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
5 1 3 SER HA 1 3 SER HB2 2.800 . 3.080 2.764 2.343 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
6 1 3 SER HA 1 3 SER HB3 2.800 . 3.080 2.690 2.347 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
7 1 3 SER HB2 1 4 TRP H 3.900 . 4.290 3.509 2.234 4.519 0.229 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
8 1 3 SER HB3 1 4 TRP H 3.900 . 4.290 3.474 1.900 4.518 0.228 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
9 1 4 TRP H 1 4 TRP HA 2.800 . 3.080 2.864 2.344 3.002 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
10 1 4 TRP H 1 4 TRP HB2 3.900 . 4.290 2.950 2.029 4.040 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
11 1 4 TRP H 1 4 TRP HB3 3.900 . 4.290 3.329 2.586 4.086 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
12 1 4 TRP H 1 5 LEU H 3.900 . 4.290 3.987 2.173 4.624 0.334 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
13 1 4 TRP HA 1 4 TRP HB2 2.800 . 3.080 2.737 2.399 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
14 1 4 TRP HA 1 4 TRP HB3 2.800 . 3.080 2.779 2.267 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
15 1 4 TRP HA 1 5 LEU H 2.800 . 3.080 2.815 2.163 3.571 0.491 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
16 1 4 TRP HA 1 6 ARG H 3.900 . 4.290 4.019 3.240 4.711 0.421 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
17 1 4 TRP HB2 1 4 TRP HD1 3.900 . 4.290 2.958 2.528 3.860 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
18 1 4 TRP HB2 1 5 LEU H 3.900 . 4.290 3.601 2.046 4.476 0.186 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
19 1 4 TRP HB2 1 6 ARG H 5.000 . 5.500 4.838 3.283 5.757 0.257 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
20 1 4 TRP HB3 1 4 TRP HD1 3.900 . 4.290 3.350 2.527 3.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
21 1 4 TRP HB3 1 5 LEU H 3.900 . 4.290 2.853 1.757 4.633 0.343 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
22 1 4 TRP HB3 1 6 ARG H 5.000 . 5.500 4.407 2.596 5.770 0.270 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
23 1 4 TRP HE3 1 5 LEU HA 3.900 . 4.290 3.726 2.812 4.370 0.080 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
24 1 4 TRP HE3 1 5 LEU QB 5.000 . 6.500 4.523 2.174 5.825 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
25 1 4 TRP HE3 1 8 ILE HG13 5.000 . 5.500 4.888 2.473 5.770 0.270 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
26 1 4 TRP HE3 1 8 ILE MG 3.900 . 5.290 3.860 2.909 4.487 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
27 1 5 LEU H 1 5 LEU HA 2.800 . 3.080 2.733 2.343 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
28 1 5 LEU H 1 5 LEU MD1 3.900 . 5.290 3.365 2.172 4.381 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
29 1 5 LEU H 1 5 LEU MD2 3.900 . 5.290 3.595 1.966 4.689 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
30 1 5 LEU HA 1 5 LEU MD2 3.900 2.900 5.290 3.243 1.991 4.059 0.909 32 8 "[ . 1 ** - 2 * * + . *4 * ]" 1
31 1 5 LEU HA 1 6 ARG H 3.900 . 4.290 3.369 2.555 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
32 1 5 LEU HA 1 8 ILE H 2.800 . 3.080 3.227 3.062 3.502 0.422 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
33 1 5 LEU HA 1 8 ILE HB 2.800 . 3.080 2.911 2.239 3.413 0.333 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
34 1 5 LEU QB 1 6 ARG H 3.900 . 5.290 3.193 1.986 4.070 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
35 1 5 LEU MD1 1 6 ARG H 5.000 . 6.500 4.298 3.058 5.478 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
36 1 5 LEU MD2 1 6 ARG H 5.000 . 6.500 4.546 2.359 5.550 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
37 1 6 ARG H 1 6 ARG HB2 3.900 . 4.290 2.247 1.954 3.574 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
38 1 6 ARG H 1 6 ARG HB3 3.900 . 4.290 3.052 2.401 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
39 1 6 ARG H 1 6 ARG QG 5.000 2.900 6.500 3.359 2.125 4.069 0.775 15 5 "[ * . 1 * + 2 * . 3 . 4- ]" 1
40 1 6 ARG H 1 7 ASP H 3.900 . 4.290 2.625 2.200 2.892 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
41 1 6 ARG HA 1 7 ASP H 3.900 . 4.290 3.531 3.344 3.598 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
42 1 6 ARG HA 1 9 TRP QB 3.900 . 5.290 3.916 2.618 4.625 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
43 1 6 ARG HA 1 9 TRP HE3 5.000 . 5.500 4.043 2.370 5.815 0.315 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
44 1 6 ARG HB2 1 7 ASP H 3.900 . 4.290 3.374 2.191 4.237 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
45 1 6 ARG HB3 1 7 ASP H 3.900 . 4.290 3.137 2.281 4.123 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
46 1 7 ASP H 1 7 ASP HA 2.800 . 3.080 2.966 2.859 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
47 1 7 ASP H 1 7 ASP HB2 3.900 . 4.290 2.629 1.976 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
48 1 7 ASP H 1 7 ASP HB3 3.900 . 4.290 2.913 2.188 3.635 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
49 1 7 ASP HA 1 7 ASP HB2 2.800 . 3.080 2.695 2.338 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
50 1 7 ASP HA 1 7 ASP HB3 2.800 . 3.080 2.802 2.405 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
51 1 7 ASP HA 1 9 TRP H 3.900 . 4.290 4.082 3.450 4.442 0.152 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
52 1 7 ASP HA 1 10 ASP H 3.900 . 4.290 3.547 2.995 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
53 1 7 ASP HA 1 10 ASP HB2 3.900 . 4.290 3.552 2.324 4.714 0.424 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
54 1 7 ASP HA 1 10 ASP HB3 3.900 . 4.290 3.587 1.951 4.419 0.129 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
55 1 7 ASP HB3 1 8 ILE H 3.900 . 4.290 3.376 2.456 4.289 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
56 1 8 ILE H 1 8 ILE HB 3.900 . 4.290 2.257 1.944 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
57 1 8 ILE H 1 8 ILE HG12 5.000 . 5.500 4.315 2.858 4.718 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
58 1 8 ILE H 1 8 ILE HG13 3.900 . 4.290 3.994 1.771 4.511 0.221 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
59 1 8 ILE H 1 9 TRP H 2.800 . 3.080 2.626 2.101 2.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
60 1 8 ILE HA 1 8 ILE HG12 3.900 . 4.290 3.044 2.417 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
61 1 8 ILE HA 1 8 ILE HG13 3.900 . 4.290 2.502 2.014 3.610 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
62 1 8 ILE HA 1 9 TRP H 3.900 . 4.290 3.531 3.278 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
63 1 8 ILE HA 1 10 ASP H 5.000 . 5.500 4.340 3.726 4.872 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
64 1 8 ILE HA 1 11 TRP H 3.900 . 4.290 3.556 3.326 4.013 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
65 1 8 ILE HA 1 11 TRP HB2 3.900 . 4.290 4.280 3.561 4.717 0.427 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
66 1 8 ILE HA 1 11 TRP HB3 3.900 . 4.290 2.937 2.418 3.490 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
67 1 8 ILE HB 1 9 TRP H 3.900 . 4.290 3.664 2.620 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
68 1 8 ILE HG12 1 11 TRP HD1 5.000 . 6.500 4.787 2.689 6.896 0.396 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
69 1 8 ILE HG13 1 9 TRP HA 5.000 . 5.500 5.590 4.424 5.999 0.499 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
70 1 8 ILE MG 1 9 TRP H 5.000 . 6.500 2.342 1.948 4.016 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
71 1 8 ILE MG 1 9 TRP HA 3.900 . 5.290 3.244 2.931 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
72 1 9 TRP H 1 9 TRP QB 3.900 2.900 5.290 2.194 1.977 2.417 0.923 20 42 "[*** ***************+*****************-*****]" 1
73 1 9 TRP H 1 10 ASP H 2.800 . 3.080 2.610 2.166 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
74 1 9 TRP HA 1 9 TRP HD1 5.000 . 5.500 2.667 1.907 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
75 1 9 TRP HA 1 10 ASP H 3.900 . 4.290 3.556 3.425 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
76 1 9 TRP HA 1 12 ILE H 3.900 . 4.290 3.500 3.297 3.697 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
77 1 9 TRP HA 1 12 ILE HB 2.800 . 3.080 2.917 2.548 3.280 0.200 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
78 1 9 TRP QB 1 9 TRP HD1 2.800 . 4.080 2.983 2.510 3.210 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
79 1 9 TRP QB 1 9 TRP HE3 2.800 . 4.080 2.585 2.425 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
80 1 9 TRP QB 1 10 ASP H 3.900 2.900 5.290 2.752 2.389 3.739 0.511 33 1 "[ . 1 . 2 . 3 + . 4 ]" 1
81 1 9 TRP QB 1 12 ILE H 3.900 2.900 5.290 4.918 4.780 5.135 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
82 1 10 ASP H 1 10 ASP HB2 3.900 . 4.290 2.391 1.973 3.532 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
83 1 10 ASP H 1 10 ASP HB3 3.900 . 4.290 2.602 2.192 3.499 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
84 1 10 ASP H 1 11 TRP H 2.800 . 3.080 2.708 2.385 2.852 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
85 1 10 ASP HA 1 10 ASP HB2 2.800 . 3.080 2.559 2.375 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
86 1 10 ASP HA 1 10 ASP HB3 2.800 . 3.080 2.982 2.377 3.040 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
87 1 10 ASP HA 1 11 TRP H 3.900 . 4.290 3.572 3.543 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
88 1 10 ASP HA 1 13 CYS H 3.900 . 4.290 3.351 3.126 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
89 1 10 ASP HA 1 13 CYS HB2 3.900 . 4.290 3.043 2.333 3.886 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
90 1 10 ASP HA 1 13 CYS HB3 3.900 . 4.290 2.604 2.174 3.215 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
91 1 10 ASP HB2 1 11 TRP H 3.900 . 4.290 3.684 2.706 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
92 1 10 ASP HB3 1 11 TRP H 3.900 . 4.290 2.648 2.345 4.047 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
93 1 11 TRP H 1 11 TRP HB2 3.900 . 4.290 3.126 2.754 3.404 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
94 1 11 TRP H 1 11 TRP HB3 2.800 . 3.080 1.978 1.935 2.116 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
95 1 11 TRP H 1 12 ILE H 2.800 . 3.080 2.755 2.650 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
96 1 11 TRP HA 1 11 TRP HB2 2.800 . 3.080 2.280 2.259 2.341 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
97 1 11 TRP HA 1 11 TRP HB3 2.800 . 3.080 2.887 2.727 3.007 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
98 1 11 TRP HA 1 11 TRP HE3 5.000 . 5.500 3.923 2.906 5.339 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
99 1 11 TRP HA 1 12 ILE H 5.000 . 5.500 3.570 3.504 3.608 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
100 1 11 TRP HA 1 14 GLU H 3.900 . 4.290 3.908 3.412 4.343 0.053 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
101 1 11 TRP HA 1 14 GLU HB3 3.900 . 4.290 3.618 2.480 4.379 0.089 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
102 1 11 TRP HB2 1 11 TRP HD1 3.900 . 4.290 3.498 3.111 3.858 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
103 1 11 TRP HB2 1 11 TRP HE3 3.900 . 4.290 3.129 2.497 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
104 1 11 TRP HB2 1 12 ILE H 3.900 . 4.290 4.128 3.892 4.301 0.011 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
105 1 11 TRP HB3 1 11 TRP HD1 3.900 . 4.290 2.993 2.517 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
106 1 11 TRP HB3 1 12 ILE H 3.900 . 4.290 3.109 2.514 3.709 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
107 1 11 TRP HD1 1 12 ILE HA 5.000 . 5.500 4.498 3.474 5.047 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
108 1 11 TRP HD1 1 12 ILE HB 5.000 . 5.500 4.831 2.685 5.940 0.440 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
109 1 11 TRP HD1 1 12 ILE HG13 5.000 . 5.500 4.361 3.872 5.929 0.429 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
110 1 11 TRP HD1 1 12 ILE MG 5.000 . 6.500 5.331 3.944 5.577 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
111 1 11 TRP HZ3 1 12 ILE MD 3.900 . 5.290 4.057 3.004 4.546 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
112 1 12 ILE H 1 12 ILE HA 2.800 . 3.080 2.927 2.879 2.982 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
113 1 12 ILE H 1 12 ILE HB 2.800 . 3.080 2.250 2.116 2.491 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
114 1 12 ILE H 1 12 ILE MD 5.000 . 6.500 3.225 2.065 3.721 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
115 1 12 ILE H 1 12 ILE QG 3.900 . 5.290 2.588 2.083 4.063 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
116 1 12 ILE H 1 12 ILE MG 3.900 . 5.290 3.638 2.693 3.740 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
117 1 12 ILE H 1 13 CYS H 2.800 . 3.080 2.490 2.224 2.705 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
118 1 12 ILE HA 1 12 ILE HB 2.800 . 3.080 3.017 2.746 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
119 1 12 ILE HA 1 12 ILE MD 3.900 . 5.290 2.359 1.768 3.829 0.032 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
120 1 12 ILE HA 1 12 ILE QG 3.900 2.900 5.290 2.668 2.316 2.975 0.584 2 6 "[ + . 1* . *- * 3 . 4 *]" 1
121 1 12 ILE HA 1 13 CYS H 3.900 . 4.290 3.546 3.328 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
122 1 12 ILE HA 1 15 VAL H 3.900 . 4.290 3.649 3.148 4.403 0.113 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
123 1 12 ILE HA 1 15 VAL HB 3.900 . 4.290 3.295 2.244 4.277 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
124 1 12 ILE HA 1 15 VAL MG1 5.000 . 6.500 3.424 1.851 4.751 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
125 1 12 ILE HA 1 15 VAL MG2 3.900 2.900 5.290 3.829 2.677 4.592 0.223 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
126 1 12 ILE HA 1 16 LEU H 3.900 . 4.290 4.104 3.693 4.444 0.154 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
127 1 12 ILE HB 1 12 ILE MD 2.800 . 4.080 2.841 1.874 3.206 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
128 1 12 ILE HB 1 13 CYS H 3.900 . 4.290 2.811 2.333 3.751 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
129 1 12 ILE MD 1 13 CYS HA 5.000 . 6.500 5.504 5.416 5.737 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
130 1 13 CYS H 1 13 CYS HA 2.800 . 3.080 2.873 2.824 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
131 1 13 CYS H 1 13 CYS HB2 2.800 . 3.080 2.290 1.971 2.812 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
132 1 13 CYS H 1 13 CYS HB3 2.800 . 3.080 2.646 2.456 3.145 0.065 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
133 1 13 CYS H 1 14 GLU H 2.800 . 3.080 2.685 2.183 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
134 1 13 CYS HA 1 14 GLU H 3.900 . 4.290 3.570 3.441 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
135 1 13 CYS HA 1 16 LEU H 3.900 . 4.290 3.556 3.143 4.336 0.046 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
136 1 13 CYS HA 1 16 LEU HB2 3.900 . 4.290 3.114 2.033 4.205 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
137 1 13 CYS HA 1 16 LEU HB3 3.900 . 4.290 3.041 2.143 3.920 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
138 1 13 CYS HB2 1 14 GLU H 3.900 . 4.290 3.725 3.344 4.075 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
139 1 13 CYS HB3 1 14 GLU H 3.900 . 4.290 2.584 2.385 3.289 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
140 1 14 GLU H 1 14 GLU HB2 3.900 . 4.290 2.316 1.962 2.679 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
141 1 14 GLU H 1 14 GLU HB3 3.900 . 4.290 2.639 2.209 3.530 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
142 1 14 GLU H 1 15 VAL H 2.800 . 3.080 2.723 2.245 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
143 1 14 GLU HA 1 15 VAL H 3.900 . 4.290 3.584 3.471 3.607 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
144 1 14 GLU HA 1 16 LEU H 3.900 . 4.290 4.333 4.036 4.479 0.189 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
145 1 14 GLU HA 1 17 SER H 3.900 . 4.290 3.681 3.331 4.287 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
146 1 14 GLU HB2 1 15 VAL H 5.000 . 5.500 3.611 2.361 4.157 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
147 1 14 GLU HB3 1 15 VAL H 5.000 . 5.500 2.457 2.152 3.316 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
148 1 14 GLU QG 1 15 VAL H 5.000 . 6.500 3.851 3.340 4.364 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
149 1 15 VAL H 1 15 VAL HB 3.900 . 4.290 2.368 2.219 2.544 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
150 1 15 VAL H 1 15 VAL MG1 3.900 . 5.290 3.138 1.933 3.741 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
151 1 15 VAL H 1 15 VAL MG2 3.900 . 5.290 2.731 2.026 3.801 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
152 1 15 VAL H 1 16 LEU H 3.900 . 4.290 2.615 2.320 2.806 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
153 1 15 VAL HA 1 16 LEU H 5.000 . 5.500 3.538 3.359 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
154 1 15 VAL HA 1 18 ASP QB 3.900 . 5.290 3.283 2.298 4.806 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
155 1 15 VAL MG1 1 16 LEU H 3.900 . 5.290 3.069 2.010 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
156 1 15 VAL MG2 1 16 LEU H 3.900 . 5.290 3.920 3.733 4.266 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
157 1 16 LEU H 1 16 LEU MD1 3.900 2.900 5.290 3.873 2.665 4.310 0.235 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
158 1 16 LEU H 1 16 LEU MD2 3.900 2.900 5.290 4.093 2.762 4.398 0.138 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
159 1 16 LEU H 1 17 SER H 3.900 . 4.290 2.580 2.140 2.788 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
160 1 16 LEU HA 1 16 LEU MD1 3.900 2.900 5.290 2.810 1.995 3.713 0.905 28 17 "[ ** ** 1 ** .* * 2 . +*3- **** ** ]" 1
161 1 16 LEU HA 1 16 LEU MD2 3.900 2.900 5.290 3.134 1.922 3.881 0.978 29 11 "[ -* * *1 . 2 * . +3 *.* *** ]" 1
162 1 16 LEU HA 1 19 PHE HB2 2.800 . 3.080 3.026 2.229 3.304 0.224 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
163 1 16 LEU HA 1 19 PHE HB3 2.800 . 3.080 2.974 2.419 3.305 0.225 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
164 1 17 SER H 1 17 SER HA 2.800 . 3.080 2.863 2.824 2.940 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
165 1 17 SER H 1 17 SER QB 2.800 . 4.080 2.187 1.968 2.600 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
166 1 17 SER HA 1 20 LYS H 2.800 . 3.080 3.318 3.168 3.486 0.406 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
167 1 17 SER HA 1 20 LYS HB3 2.800 . 3.080 2.941 2.488 3.240 0.160 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
168 1 18 ASP HA 1 21 THR H 3.900 . 4.290 3.634 3.263 4.089 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
169 1 18 ASP HA 1 21 THR HB 2.800 . 3.080 3.020 2.547 3.245 0.165 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
170 1 18 ASP HA 1 21 THR HG1 5.000 . 6.500 3.055 1.966 4.202 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
171 1 19 PHE H 1 20 LYS H 3.900 . 4.290 2.573 2.279 2.702 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
172 1 19 PHE HA 1 19 PHE QD 3.900 . 5.290 2.690 2.012 3.014 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
173 1 19 PHE HA 1 20 LYS H 3.900 . 4.290 3.549 3.426 3.586 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
174 1 19 PHE HA 1 22 TRP QB 3.900 . 5.290 3.098 2.247 4.689 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
175 1 19 PHE QB 1 19 PHE QD 2.800 . 5.080 2.156 2.149 2.193 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
176 1 19 PHE QB 1 20 LYS H 3.900 . 5.290 2.694 2.492 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
177 1 20 LYS H 1 20 LYS HA 2.800 . 3.080 2.908 2.851 2.998 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
178 1 20 LYS H 1 20 LYS HB2 3.900 . 4.290 2.300 1.949 3.522 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
179 1 20 LYS H 1 20 LYS HB3 3.900 . 4.290 2.721 2.232 3.242 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
180 1 20 LYS H 1 20 LYS QD 5.000 . 6.500 4.241 3.448 4.672 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
181 1 20 LYS H 1 20 LYS QG 5.000 2.900 6.500 3.869 2.569 4.037 0.331 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
182 1 20 LYS H 1 21 THR H 2.800 . 3.080 2.585 2.152 2.784 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
183 1 20 LYS H 1 22 TRP H 3.900 . 4.290 4.193 3.979 4.574 0.284 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
184 1 20 LYS HA 1 20 LYS HB3 2.800 . 3.080 2.996 2.597 3.040 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
185 1 20 LYS HA 1 22 TRP H 5.000 . 5.500 4.485 3.926 5.142 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
186 1 20 LYS HA 1 23 LEU H 3.900 . 4.290 3.529 3.073 4.339 0.049 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
187 1 20 LYS HA 1 23 LEU QB 4.300 2.200 5.730 2.633 1.820 3.451 0.380 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
188 1 20 LYS HA 1 23 LEU MD1 5.000 . 6.500 3.963 2.242 5.486 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
189 1 20 LYS HA 1 23 LEU MD2 5.000 . 6.500 4.395 3.242 5.402 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
190 1 20 LYS HB3 1 21 THR H 3.900 . 4.290 2.745 2.318 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
191 1 21 THR H 1 21 THR HB 2.800 . 3.080 2.397 2.120 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
192 1 21 THR H 1 21 THR MG 3.900 . 5.290 3.557 2.217 3.742 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
193 1 21 THR H 1 22 TRP H 2.800 . 3.080 2.661 2.216 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
194 1 21 THR HA 1 21 THR HB 2.800 . 3.080 2.988 2.534 3.046 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
195 1 21 THR HA 1 21 THR MG 2.800 . 4.080 2.476 2.297 3.213 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
196 1 21 THR HA 1 22 TRP H 3.900 . 4.290 3.576 3.553 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
197 1 21 THR HA 1 24 LYS HB2 3.900 . 4.290 3.468 2.769 4.292 0.002 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
198 1 21 THR HA 1 24 LYS HB3 3.900 . 4.290 3.186 2.584 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
199 1 21 THR MG 1 22 TRP H 5.000 . 6.500 3.225 1.914 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
200 1 22 TRP H 1 22 TRP HB2 2.800 . 3.080 2.761 2.389 3.553 0.473 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
201 1 22 TRP H 1 22 TRP HB3 2.800 . 3.080 2.297 2.118 2.503 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
202 1 22 TRP HA 1 22 TRP HB2 2.800 . 3.080 2.416 2.342 2.513 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
203 1 22 TRP HA 1 22 TRP HB3 2.800 . 3.080 2.950 2.502 3.043 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
204 1 22 TRP HA 1 22 TRP HD1 5.000 . 5.500 3.403 2.984 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
205 1 22 TRP HA 1 23 LEU H 3.900 . 4.290 3.570 3.506 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
206 1 22 TRP HA 1 25 ALA H 3.900 . 4.290 3.542 3.097 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
207 1 22 TRP HA 1 25 ALA MB 2.800 . 4.080 2.665 2.112 3.084 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
208 1 22 TRP HB2 1 22 TRP HD1 3.900 . 4.290 2.831 2.587 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
209 1 22 TRP HB3 1 22 TRP HD1 3.900 . 4.290 3.609 2.553 3.845 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
210 1 22 TRP HE3 1 23 LEU HA 2.800 . 3.080 2.883 2.199 3.237 0.157 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
211 1 22 TRP HE3 1 23 LEU QB 3.900 . 5.290 3.370 2.097 4.811 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
212 1 22 TRP HE3 1 23 LEU MD1 3.900 . 5.290 3.045 1.929 4.652 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
213 1 22 TRP HE3 1 23 LEU MD2 3.900 . 5.290 3.337 1.687 4.483 0.113 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
214 1 22 TRP HH2 1 23 LEU MD1 3.900 . 5.290 4.085 3.076 4.378 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
215 1 22 TRP HH2 1 23 LEU MD2 3.900 . 5.290 4.057 2.616 4.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
216 1 22 TRP HZ3 1 23 LEU HA 3.900 . 4.290 3.492 3.014 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
217 1 22 TRP HZ3 1 23 LEU MD1 3.900 . 5.290 2.639 2.033 4.456 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
218 1 22 TRP HZ3 1 23 LEU MD2 3.900 . 5.290 2.824 1.904 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
219 1 23 LEU H 1 23 LEU HA 2.800 . 3.080 2.873 2.836 2.921 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
220 1 23 LEU H 1 23 LEU QB 2.800 . 4.080 1.985 1.944 2.180 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
221 1 23 LEU H 1 23 LEU MD1 5.000 . 6.500 3.555 2.858 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
222 1 23 LEU H 1 23 LEU MD2 5.000 . 6.500 3.603 2.293 4.349 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
223 1 23 LEU H 1 24 LYS H 2.800 . 3.080 2.699 2.515 2.836 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
224 1 23 LEU HA 1 23 LEU MD1 2.800 . 4.080 2.841 1.787 3.628 0.013 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
225 1 23 LEU HA 1 23 LEU MD2 2.800 . 4.080 2.632 2.363 3.650 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
226 1 23 LEU HA 1 24 LYS H 3.900 . 4.290 3.574 3.529 3.594 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
227 1 23 LEU HA 1 25 ALA H 5.000 . 5.500 4.437 3.985 4.750 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
228 1 23 LEU HA 1 26 LYS H 3.900 . 4.290 3.584 3.137 3.951 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
229 1 23 LEU HA 1 26 LYS HB3 3.900 . 4.290 3.366 2.689 4.340 0.050 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
230 1 23 LEU HA 1 27 LEU H 3.900 . 4.290 4.108 3.506 4.422 0.132 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
231 1 24 LYS H 1 24 LYS HA 2.800 . 3.080 2.882 2.835 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
232 1 24 LYS H 1 24 LYS HB2 3.900 . 4.290 2.252 1.993 2.613 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
233 1 24 LYS H 1 24 LYS HB3 3.900 . 4.290 2.686 2.382 3.355 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
234 1 24 LYS H 1 24 LYS QD 3.900 . 5.290 4.226 3.254 4.496 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
235 1 24 LYS H 1 25 ALA H 2.800 . 3.080 2.652 2.340 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
236 1 24 LYS HA 1 24 LYS HB2 2.800 . 3.080 2.602 2.463 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
237 1 24 LYS HA 1 24 LYS HB3 2.800 . 3.080 3.013 2.753 3.042 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
238 1 24 LYS HA 1 24 LYS QD 3.900 . 5.290 3.409 2.033 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
239 1 24 LYS HA 1 25 ALA H 3.900 . 4.290 3.564 3.522 3.586 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
240 1 24 LYS HA 1 26 LYS H 5.000 . 5.500 4.413 3.967 4.752 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
241 1 24 LYS HA 1 27 LEU H 3.900 . 4.290 3.433 3.056 4.155 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
242 1 24 LYS HA 1 27 LEU QD 3.900 . 5.290 3.479 2.817 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
243 1 24 LYS HA 1 28 MET H 3.900 . 4.290 4.050 2.786 4.467 0.177 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
244 1 24 LYS HB3 1 25 ALA H 2.800 . 3.080 2.638 2.344 3.100 0.020 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
245 1 25 ALA H 1 25 ALA HA 2.800 . 3.080 2.883 2.841 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
246 1 25 ALA H 1 25 ALA MB 2.800 . 4.080 2.145 2.060 2.215 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
247 1 26 LYS H 1 26 LYS HA 2.800 . 3.080 2.934 2.856 2.995 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
248 1 26 LYS H 1 26 LYS HB2 3.900 . 4.290 2.330 2.031 3.574 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
249 1 26 LYS H 1 26 LYS HB3 3.900 . 4.290 2.759 2.306 3.482 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
250 1 26 LYS H 1 26 LYS QD 3.900 . 5.290 4.050 2.328 4.540 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
251 1 26 LYS H 1 26 LYS QG 3.900 . 5.290 3.815 2.113 4.105 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
252 1 26 LYS H 1 27 LEU H 3.900 . 4.290 2.453 2.136 2.724 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
253 1 26 LYS HA 1 27 LEU H 3.900 . 4.290 3.512 3.145 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
254 1 26 LYS HB2 1 27 LEU H 3.900 . 4.290 3.739 2.928 4.343 0.053 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
255 1 26 LYS HB3 1 27 LEU H 3.900 . 4.290 3.010 2.447 4.113 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
256 1 27 LEU H 1 27 LEU HA 2.800 . 3.080 2.737 2.341 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
257 1 27 LEU H 1 27 LEU MD1 3.900 . 5.290 3.635 2.443 4.346 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
258 1 27 LEU H 1 27 LEU HG 3.900 . 5.290 4.271 2.499 5.022 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
259 1 27 LEU HA 1 27 LEU MD1 2.800 . 4.080 2.581 1.860 3.761 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
260 1 27 LEU HA 1 27 LEU HG 2.800 . 4.080 2.604 1.999 3.622 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
261 1 27 LEU HA 1 28 MET H 3.900 . 4.290 3.127 2.183 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
262 1 27 LEU QB 1 28 MET H 3.900 . 5.290 2.917 1.790 4.037 0.010 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
263 1 27 LEU HG 1 28 MET H 5.000 . 6.500 4.450 2.338 6.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
264 1 28 MET H 1 28 MET HA 2.800 . 3.080 2.752 2.352 3.006 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
265 1 28 MET H 1 28 MET QB 2.800 . 4.080 2.531 1.936 3.275 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
266 1 28 MET H 1 28 MET QG 3.900 . 5.290 3.653 2.174 4.354 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
267 1 28 MET H 1 29 PRO QD 3.900 . 5.290 3.278 1.856 4.345 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
268 1 28 MET HA 1 29 PRO QD 2.800 . 4.080 2.267 1.920 3.551 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
269 1 28 MET HA 1 31 LEU QB 5.000 . 6.500 5.388 3.336 6.062 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
270 1 29 PRO HA 1 29 PRO HB3 2.800 . 3.080 2.313 2.309 2.322 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
271 1 29 PRO HA 1 29 PRO QD 3.900 . 5.290 3.440 3.396 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
272 1 29 PRO HA 1 30 GLN H 2.800 . 3.080 2.633 2.284 3.474 0.394 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
273 1 30 GLN H 1 30 GLN HA 2.800 . 3.080 2.830 2.347 3.001 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
274 1 30 GLN H 1 30 GLN HB2 3.900 . 4.290 2.891 1.956 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
275 1 30 GLN H 1 30 GLN HB3 2.800 . 3.080 2.889 2.403 3.481 0.401 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
276 1 30 GLN HA 1 31 LEU H 2.800 . 3.080 2.462 2.205 3.548 0.468 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
277 1 31 LEU H 1 31 LEU HA 2.800 . 3.080 2.940 2.357 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
278 1 31 LEU H 1 31 LEU QB 2.800 . 4.080 2.581 2.175 3.013 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
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