NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397100 |
1srz   |
6166 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1srz
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 874
_Distance_constraint_stats_list.Viol_count 1116
_Distance_constraint_stats_list.Viol_total 3798.938
_Distance_constraint_stats_list.Viol_max 1.549
_Distance_constraint_stats_list.Viol_rms 0.0469
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.1418
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 GLU 0.647 0.229 18 0 "[ . 1 . 2 ]"
1 4 PHE 0.647 0.229 18 0 "[ . 1 . 2 ]"
1 5 VAL 0.090 0.031 12 0 "[ . 1 . 2 ]"
1 6 ARG 2.220 0.401 16 0 "[ . 1 . 2 ]"
1 7 ILE 7.602 0.314 23 0 "[ . 1 . 2 ]"
1 8 CYS 1.958 0.437 10 0 "[ . 1 . 2 ]"
1 9 SER 0.067 0.067 16 0 "[ . 1 . 2 ]"
1 10 LYS 4.949 0.435 3 0 "[ . 1 . 2 ]"
1 11 SER 1.194 0.435 3 0 "[ . 1 . 2 ]"
1 12 TYR 1.506 0.186 23 0 "[ . 1 . 2 ]"
1 13 LEU 7.688 0.325 24 0 "[ . 1 . 2 ]"
1 14 THR 0.372 0.322 9 0 "[ . 1 . 2 ]"
1 15 LEU 7.960 0.717 7 8 "[ * +* * . * *-* ]"
1 16 GLU 6.743 0.717 7 8 "[ * +- * . * *** ]"
1 17 ASN 3.497 0.204 14 0 "[ . 1 . 2 ]"
1 18 GLY 2.800 0.221 8 0 "[ . 1 . 2 ]"
1 19 LYS 7.992 0.574 15 2 "[ . 1 + 2 - ]"
1 20 VAL 3.011 0.307 15 0 "[ . 1 . 2 ]"
1 21 PHE 13.975 0.889 2 4 "[*+* . - . 2 ]"
1 22 LEU 10.399 1.549 1 2 "[+ . 1 . * ]"
1 23 THR 0.732 0.246 16 0 "[ . 1 . 2 ]"
1 24 GLY 5.044 0.246 19 0 "[ . 1 . 2 ]"
1 25 GLY 4.203 0.246 16 0 "[ . 1 . 2 ]"
1 26 ASP 1.392 0.246 16 0 "[ . 1 . 2 ]"
1 27 LEU 6.328 0.220 10 0 "[ . 1 . 2 ]"
1 28 PRO 7.958 0.298 8 0 "[ . 1 . 2 ]"
1 29 ALA 3.526 0.314 23 0 "[ . 1 . 2 ]"
1 30 LEU 7.988 0.437 10 0 "[ . 1 . 2 ]"
1 31 ASP 0.724 0.084 18 0 "[ . 1 . 2 ]"
1 32 GLY 3.531 0.246 17 0 "[ . 1 . 2 ]"
1 33 ALA 2.785 0.239 9 0 "[ . 1 . 2 ]"
1 34 ARG 3.843 0.767 17 3 "[ . 1 *.-+ 2 ]"
1 35 VAL 3.040 0.441 6 0 "[ . 1 . 2 ]"
1 36 GLU 6.892 0.441 6 0 "[ . 1 . 2 ]"
1 37 PHE 0.966 0.122 14 0 "[ . 1 . 2 ]"
1 38 ARG 11.832 0.889 2 4 "[*+* . - . 2 ]"
1 39 CYS 0.040 0.033 9 0 "[ . 1 . 2 ]"
1 40 ASP 10.645 0.716 22 3 "[ . - * . 2 + ]"
1 41 PRO 5.147 0.716 22 3 "[ . - * . 2 + ]"
1 42 ASP 1.781 0.176 20 0 "[ . 1 . 2 ]"
1 43 PHE 2.807 0.418 19 0 "[ . 1 . 2 ]"
1 44 HIS 0.430 0.235 7 0 "[ . 1 . 2 ]"
1 45 LEU 0.512 0.235 7 0 "[ . 1 . 2 ]"
1 46 VAL 2.701 0.237 9 0 "[ . 1 . 2 ]"
1 47 GLY 10.828 0.969 12 2 "[ . -1 + . 2 ]"
1 48 SER 6.151 0.584 21 1 "[ . 1 . 2+ ]"
1 49 SER 3.035 0.224 9 0 "[ . 1 . 2 ]"
1 50 ARG 1.710 0.584 21 1 "[ . 1 . 2+ ]"
1 51 SER 6.906 0.338 1 0 "[ . 1 . 2 ]"
1 52 VAL 3.862 0.767 17 3 "[ . 1 *.-+ 2 ]"
1 53 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 SER 0.589 0.161 12 0 "[ . 1 . 2 ]"
1 55 GLN 6.128 0.311 20 0 "[ . 1 . 2 ]"
1 56 GLY 0.401 0.401 16 0 "[ . 1 . 2 ]"
1 57 GLN 0.102 0.063 4 0 "[ . 1 . 2 ]"
1 58 TRP 4.779 1.549 1 2 "[+ . 1 . - ]"
1 59 SER 0.164 0.079 1 0 "[ . 1 . 2 ]"
1 60 THR 4.856 0.338 1 0 "[ . 1 . 2 ]"
1 61 PRO 0.677 0.199 6 0 "[ . 1 . 2 ]"
1 62 LYS 0.841 0.199 6 0 "[ . 1 . 2 ]"
1 63 PRO 0.101 0.039 18 0 "[ . 1 . 2 ]"
1 64 HIS 7.552 0.969 12 2 "[ . -1 + . 2 ]"
1 65 CYS 1.200 0.245 12 0 "[ . 1 . 2 ]"
1 66 GLN 3.106 0.499 21 0 "[ . 1 . 2 ]"
1 67 VAL 0.211 0.079 15 0 "[ . 1 . 2 ]"
1 68 ASN 4.530 0.691 8 1 "[ . + 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 3 GLU H 5.000 . 5.000 2.905 2.151 3.556 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 GLU HA 1 4 PHE H 3.300 . 3.300 2.567 2.154 3.529 0.229 18 0 "[ . 1 . 2 ]" 1
3 1 3 GLU HB2 1 4 PHE H 6.000 . 6.000 3.780 1.718 4.644 . 0 0 "[ . 1 . 2 ]" 1
4 1 3 GLU HB3 1 4 PHE H 6.000 . 6.000 3.642 1.936 4.457 . 0 0 "[ . 1 . 2 ]" 1
5 1 4 PHE H 1 5 VAL H 5.000 . 5.000 3.625 2.677 4.107 . 0 0 "[ . 1 . 2 ]" 1
6 1 4 PHE HA 1 5 VAL H 5.000 . 5.000 2.443 2.154 3.542 . 0 0 "[ . 1 . 2 ]" 1
7 1 4 PHE HB2 1 5 VAL H 6.000 . 6.000 3.833 1.551 4.417 . 0 0 "[ . 1 . 2 ]" 1
8 1 4 PHE HB3 1 5 VAL H 6.000 . 6.000 3.572 1.947 4.428 . 0 0 "[ . 1 . 2 ]" 1
9 1 5 VAL HA 1 5 VAL QG 3.300 . 3.300 2.210 2.087 2.340 . 0 0 "[ . 1 . 2 ]" 1
10 1 5 VAL HA 1 6 ARG H 2.700 . 2.700 2.237 2.141 2.731 0.031 12 0 "[ . 1 . 2 ]" 1
11 1 5 VAL HB 1 6 ARG H 6.000 . 6.000 3.739 2.838 4.421 . 0 0 "[ . 1 . 2 ]" 1
12 1 5 VAL QG 1 6 ARG H 5.000 . 5.000 2.737 1.822 3.626 . 0 0 "[ . 1 . 2 ]" 1
13 1 5 VAL QG 1 6 ARG HA 6.000 . 6.000 3.710 3.084 4.311 . 0 0 "[ . 1 . 2 ]" 1
14 1 5 VAL QG 1 29 ALA HA 5.000 . 5.000 4.295 2.897 5.022 0.022 11 0 "[ . 1 . 2 ]" 1
15 1 5 VAL MG1 1 6 ARG H 6.000 . 6.000 3.437 1.983 4.360 . 0 0 "[ . 1 . 2 ]" 1
16 1 5 VAL MG2 1 6 ARG H 6.000 . 6.000 3.412 1.826 4.059 . 0 0 "[ . 1 . 2 ]" 1
17 1 6 ARG H 1 6 ARG QG 5.000 . 5.000 3.091 1.847 4.289 . 0 0 "[ . 1 . 2 ]" 1
18 1 6 ARG H 1 7 ILE H 5.000 . 5.000 3.932 2.481 4.601 . 0 0 "[ . 1 . 2 ]" 1
19 1 6 ARG HA 1 7 ILE H 2.700 . 2.700 2.522 2.093 2.951 0.251 18 0 "[ . 1 . 2 ]" 1
20 1 6 ARG HA 1 8 CYS QB 5.000 . 5.000 3.986 3.678 4.163 . 0 0 "[ . 1 . 2 ]" 1
21 1 6 ARG HA 1 56 GLY QA 5.000 . 5.000 3.432 2.629 4.219 . 0 0 "[ . 1 . 2 ]" 1
22 1 6 ARG HA 1 7 ILE QG 6.000 . 6.000 4.381 3.436 5.612 . 0 0 "[ . 1 . 2 ]" 1
23 1 6 ARG HB2 1 7 ILE H 6.000 . 6.000 3.026 1.688 4.414 . 0 0 "[ . 1 . 2 ]" 1
24 1 6 ARG HB2 1 56 GLY QA 5.000 . 5.000 4.413 4.019 5.401 0.401 16 0 "[ . 1 . 2 ]" 1
25 1 6 ARG HB2 1 55 GLN HA 6.000 . 6.000 4.360 4.007 5.354 . 0 0 "[ . 1 . 2 ]" 1
26 1 6 ARG HB3 1 56 GLY QA 5.000 . 5.000 4.383 3.122 4.669 . 0 0 "[ . 1 . 2 ]" 1
27 1 6 ARG HB3 1 56 GLY QA 6.000 . 6.000 4.416 3.124 4.722 . 0 0 "[ . 1 . 2 ]" 1
28 1 6 ARG HB3 1 7 ILE H 6.000 . 6.000 3.923 2.449 4.656 . 0 0 "[ . 1 . 2 ]" 1
29 1 6 ARG HB3 1 55 GLN HA 6.000 . 6.000 5.341 4.524 5.654 . 0 0 "[ . 1 . 2 ]" 1
30 1 6 ARG QG 1 27 LEU H 5.000 . 5.000 4.635 3.863 5.089 0.089 8 0 "[ . 1 . 2 ]" 1
31 1 6 ARG QG 1 27 LEU HA 5.000 . 5.000 4.680 3.880 5.149 0.149 19 0 "[ . 1 . 2 ]" 1
32 1 7 ILE H 1 7 ILE HA 2.700 . 2.700 2.627 2.249 2.904 0.204 1 0 "[ . 1 . 2 ]" 1
33 1 7 ILE H 1 7 ILE QG 5.000 . 5.000 2.945 1.869 4.105 . 0 0 "[ . 1 . 2 ]" 1
34 1 7 ILE HA 1 8 CYS H 2.700 . 2.700 2.342 2.116 2.890 0.190 18 0 "[ . 1 . 2 ]" 1
35 1 7 ILE HA 1 58 TRP HD1 6.000 . 6.000 5.238 4.372 6.067 0.067 16 0 "[ . 1 . 2 ]" 1
36 1 7 ILE HA 1 29 ALA MB 5.000 2.200 5.000 4.889 4.343 5.240 0.240 19 0 "[ . 1 . 2 ]" 1
37 1 7 ILE HB 1 8 CYS H 5.000 . 5.000 3.558 2.618 4.500 . 0 0 "[ . 1 . 2 ]" 1
38 1 7 ILE MD 1 29 ALA HA 6.000 . 6.000 5.738 4.081 6.314 0.314 23 0 "[ . 1 . 2 ]" 1
39 1 7 ILE QG 1 8 CYS H 5.000 . 5.000 4.046 2.036 4.532 . 0 0 "[ . 1 . 2 ]" 1
40 1 7 ILE QG 1 10 LYS QB 6.000 . 6.000 5.087 3.954 5.639 . 0 0 "[ . 1 . 2 ]" 1
41 1 7 ILE QG 1 25 GLY QA 5.000 . 5.000 3.737 3.047 4.288 . 0 0 "[ . 1 . 2 ]" 1
42 1 7 ILE MG 1 8 CYS H 5.000 . 5.000 3.553 1.839 4.416 . 0 0 "[ . 1 . 2 ]" 1
43 1 7 ILE MG 1 10 LYS QE 6.000 . 6.000 4.998 2.309 6.039 0.039 16 0 "[ . 1 . 2 ]" 1
44 1 7 ILE MG 1 33 ALA H 5.000 . 5.000 3.078 2.703 3.512 . 0 0 "[ . 1 . 2 ]" 1
45 1 7 ILE MG 1 32 GLY H 5.000 . 5.000 3.545 2.984 4.074 . 0 0 "[ . 1 . 2 ]" 1
46 1 7 ILE MG 1 29 ALA HA 6.000 . 6.000 4.834 3.475 5.891 . 0 0 "[ . 1 . 2 ]" 1
47 1 8 CYS H 1 8 CYS QB . . 3.300 2.704 2.049 3.342 0.042 19 0 "[ . 1 . 2 ]" 1
48 1 8 CYS H 1 56 GLY QA 5.000 . 5.000 3.082 1.811 3.798 . 0 0 "[ . 1 . 2 ]" 1
49 1 8 CYS HA 1 9 SER H 2.700 . 2.700 2.270 2.173 2.516 . 0 0 "[ . 1 . 2 ]" 1
50 1 8 CYS HA 1 9 SER QB 5.000 . 5.000 4.445 4.168 4.837 . 0 0 "[ . 1 . 2 ]" 1
51 1 8 CYS HA 1 56 GLY QA 5.000 . 5.000 2.848 1.651 3.537 . 0 0 "[ . 1 . 2 ]" 1
52 1 8 CYS HA 1 57 GLN HA 5.000 . 5.000 3.441 2.593 4.377 . 0 0 "[ . 1 . 2 ]" 1
53 1 8 CYS HA 1 58 TRP HD1 5.000 . 5.000 4.761 4.273 5.147 0.147 6 0 "[ . 1 . 2 ]" 1
54 1 8 CYS HA 1 58 TRP HE1 6.000 . 6.000 4.264 3.735 4.967 . 0 0 "[ . 1 . 2 ]" 1
55 1 8 CYS QB 1 9 SER H 5.000 . 5.000 2.860 2.279 3.421 . 0 0 "[ . 1 . 2 ]" 1
56 1 8 CYS QB 1 58 TRP HE1 5.000 . 5.000 2.612 2.270 3.319 . 0 0 "[ . 1 . 2 ]" 1
57 1 8 CYS QB 1 58 TRP HE1 3.300 . 3.300 2.474 2.226 2.710 . 0 0 "[ . 1 . 2 ]" 1
58 1 8 CYS QB 1 20 VAL QG 6.000 . 6.000 3.388 2.227 4.051 . 0 0 "[ . 1 . 2 ]" 1
59 1 8 CYS QB 1 30 LEU HB3 5.000 . 5.000 4.550 3.555 5.437 0.437 10 0 "[ . 1 . 2 ]" 1
60 1 8 CYS QB 1 30 LEU QD 5.000 . 5.000 3.429 1.737 4.687 . 0 0 "[ . 1 . 2 ]" 1
61 1 8 CYS QB 1 58 TRP HD1 5.000 . 5.000 3.333 2.666 4.726 . 0 0 "[ . 1 . 2 ]" 1
62 1 8 CYS QB 1 58 TRP HE1 5.000 . 5.000 2.615 2.270 3.346 . 0 0 "[ . 1 . 2 ]" 1
63 1 8 CYS QB 1 58 TRP HZ2 5.000 . 5.000 3.018 2.232 3.610 . 0 0 "[ . 1 . 2 ]" 1
64 1 9 SER H 1 9 SER QB 3.300 . 3.300 2.437 2.271 2.633 . 0 0 "[ . 1 . 2 ]" 1
65 1 9 SER H 1 57 GLN H 5.000 . 5.000 2.749 2.339 3.233 . 0 0 "[ . 1 . 2 ]" 1
66 1 9 SER H 1 59 SER H 6.000 . 6.000 4.084 3.841 4.393 . 0 0 "[ . 1 . 2 ]" 1
67 1 9 SER H 1 58 TRP HD1 5.000 . 5.000 3.462 2.848 4.290 . 0 0 "[ . 1 . 2 ]" 1
68 1 9 SER H 1 58 TRP HE1 5.000 . 5.000 3.025 2.392 3.772 . 0 0 "[ . 1 . 2 ]" 1
69 1 9 SER HA 1 9 SER QB 2.700 . 2.700 2.317 2.187 2.371 . 0 0 "[ . 1 . 2 ]" 1
70 1 9 SER HA 1 10 LYS H 2.700 . 2.700 2.148 2.125 2.200 . 0 0 "[ . 1 . 2 ]" 1
71 1 9 SER QB 1 10 LYS H 5.000 . 5.000 3.445 2.819 3.966 . 0 0 "[ . 1 . 2 ]" 1
72 1 9 SER QB 1 11 SER H 6.000 . 6.000 3.118 2.456 4.139 . 0 0 "[ . 1 . 2 ]" 1
73 1 9 SER QB 1 58 TRP HD1 5.000 . 5.000 2.979 1.468 4.350 . 0 0 "[ . 1 . 2 ]" 1
74 1 9 SER QB 1 12 TYR H 6.000 . 6.000 3.743 2.948 4.395 . 0 0 "[ . 1 . 2 ]" 1
75 1 9 SER QB 1 12 TYR QE 6.000 . 6.000 3.364 2.180 4.844 . 0 0 "[ . 1 . 2 ]" 1
76 1 9 SER QB 1 58 TRP HE1 5.000 . 5.000 2.780 1.802 4.233 . 0 0 "[ . 1 . 2 ]" 1
77 1 10 LYS H 1 10 LYS QB . . 3.300 2.421 2.236 2.824 . 0 0 "[ . 1 . 2 ]" 1
78 1 10 LYS H 1 10 LYS HG3 5.000 . 5.000 3.391 2.261 4.594 . 0 0 "[ . 1 . 2 ]" 1
79 1 10 LYS H 1 11 SER H 3.300 . 3.300 2.746 2.361 3.735 0.435 3 0 "[ . 1 . 2 ]" 1
80 1 10 LYS HA 1 13 LEU H 5.000 . 5.000 3.299 3.050 3.779 . 0 0 "[ . 1 . 2 ]" 1
81 1 10 LYS HA 1 58 TRP HB2 6.000 . 6.000 4.425 4.121 4.624 . 0 0 "[ . 1 . 2 ]" 1
82 1 10 LYS HA 1 12 TYR H 5.000 . 5.000 3.880 3.356 4.299 . 0 0 "[ . 1 . 2 ]" 1
83 1 10 LYS HA 1 13 LEU H 5.000 . 5.000 3.563 3.176 5.049 0.049 5 0 "[ . 1 . 2 ]" 1
84 1 10 LYS HA 1 13 LEU HB2 6.000 . 6.000 4.096 3.124 6.061 0.061 6 0 "[ . 1 . 2 ]" 1
85 1 10 LYS HA 1 13 LEU HB3 6.000 . 6.000 5.149 4.552 6.029 0.029 4 0 "[ . 1 . 2 ]" 1
86 1 10 LYS HA 1 13 LEU QD 5.000 . 5.000 2.626 1.699 3.178 . 0 0 "[ . 1 . 2 ]" 1
87 1 10 LYS HA 1 13 LEU HG 5.000 . 5.000 2.981 1.918 4.914 . 0 0 "[ . 1 . 2 ]" 1
88 1 10 LYS QB 1 11 SER H 6.000 . 6.000 3.469 2.644 4.020 . 0 0 "[ . 1 . 2 ]" 1
89 1 10 LYS QB 1 20 VAL HB 5.000 . 5.000 4.462 3.054 5.307 0.307 15 0 "[ . 1 . 2 ]" 1
90 1 10 LYS QB 1 13 LEU QD 5.000 . 5.000 2.795 1.760 3.997 . 0 0 "[ . 1 . 2 ]" 1
91 1 10 LYS HD2 1 10 LYS HG3 2.700 . 2.700 2.648 2.366 3.019 0.319 20 0 "[ . 1 . 2 ]" 1
92 1 10 LYS QE 1 13 LEU QD 6.000 . 6.000 3.978 2.122 5.946 . 0 0 "[ . 1 . 2 ]" 1
93 1 11 SER H 1 11 SER QB 2.700 . 2.700 2.450 2.254 2.848 0.148 4 0 "[ . 1 . 2 ]" 1
94 1 11 SER H 1 12 TYR H 3.300 . 3.300 2.643 1.761 3.352 0.052 6 0 "[ . 1 . 2 ]" 1
95 1 11 SER H 1 12 TYR HB2 6.000 . 6.000 4.664 3.572 5.018 . 0 0 "[ . 1 . 2 ]" 1
96 1 11 SER H 1 12 TYR QD 6.000 . 6.000 3.541 3.284 3.863 . 0 0 "[ . 1 . 2 ]" 1
97 1 11 SER HA 1 11 SER QB 2.700 . 2.700 2.302 2.186 2.373 . 0 0 "[ . 1 . 2 ]" 1
98 1 11 SER HA 1 12 TYR H 5.000 . 5.000 3.493 2.822 3.559 . 0 0 "[ . 1 . 2 ]" 1
99 1 11 SER QB 1 12 TYR H 6.000 . 6.000 2.914 2.480 4.060 . 0 0 "[ . 1 . 2 ]" 1
100 1 12 TYR H 1 12 TYR HB2 3.300 . 3.300 2.401 2.273 2.547 . 0 0 "[ . 1 . 2 ]" 1
101 1 12 TYR H 1 12 TYR QD 3.300 . 3.300 1.810 1.572 2.940 . 0 0 "[ . 1 . 2 ]" 1
102 1 12 TYR H 1 13 LEU H 5.000 . 5.000 2.747 2.047 3.356 . 0 0 "[ . 1 . 2 ]" 1
103 1 12 TYR H 1 13 LEU QD 6.000 . 6.000 4.310 2.723 4.852 . 0 0 "[ . 1 . 2 ]" 1
104 1 12 TYR H 1 13 LEU HG 6.000 . 6.000 4.376 2.977 6.021 0.021 2 0 "[ . 1 . 2 ]" 1
105 1 12 TYR H 1 58 TRP HE1 5.000 . 5.000 3.713 3.260 4.727 . 0 0 "[ . 1 . 2 ]" 1
106 1 12 TYR HA 1 12 TYR QE 6.000 . 6.000 4.580 4.515 4.671 . 0 0 "[ . 1 . 2 ]" 1
107 1 12 TYR HA 1 13 LEU H 5.000 . 5.000 3.493 2.742 3.588 . 0 0 "[ . 1 . 2 ]" 1
108 1 12 TYR HA 1 37 PHE HZ 5.000 . 5.000 4.151 3.380 4.884 . 0 0 "[ . 1 . 2 ]" 1
109 1 12 TYR HA 1 62 LYS HB2 6.000 . 6.000 3.971 2.593 5.993 . 0 0 "[ . 1 . 2 ]" 1
110 1 12 TYR HA 1 62 LYS HD2 5.000 . 5.000 2.643 1.405 5.012 0.012 9 0 "[ . 1 . 2 ]" 1
111 1 12 TYR HA 1 62 LYS HD3 5.000 . 5.000 3.603 1.555 4.725 . 0 0 "[ . 1 . 2 ]" 1
112 1 12 TYR HA 1 62 LYS QE 5.000 . 5.000 3.287 2.562 3.977 . 0 0 "[ . 1 . 2 ]" 1
113 1 12 TYR HA 1 62 LYS QG . . 5.000 3.377 2.433 4.237 . 0 0 "[ . 1 . 2 ]" 1
114 1 12 TYR HB2 1 13 LEU H 5.000 . 5.000 2.793 2.158 4.327 . 0 0 "[ . 1 . 2 ]" 1
115 1 12 TYR HB2 1 13 LEU QD 6.000 . 6.000 3.693 2.158 4.391 . 0 0 "[ . 1 . 2 ]" 1
116 1 12 TYR HB2 1 35 VAL QG 6.000 . 6.000 4.020 3.354 4.813 . 0 0 "[ . 1 . 2 ]" 1
117 1 12 TYR HB2 1 58 TRP HE1 5.000 . 5.000 3.239 2.727 3.718 . 0 0 "[ . 1 . 2 ]" 1
118 1 12 TYR HB2 1 62 LYS QG 6.000 . 6.000 5.323 4.165 5.826 . 0 0 "[ . 1 . 2 ]" 1
119 1 12 TYR HB3 1 13 LEU H 6.000 . 6.000 3.594 2.884 4.390 . 0 0 "[ . 1 . 2 ]" 1
120 1 12 TYR HB3 1 13 LEU QD 5.000 . 5.000 4.192 3.026 5.040 0.040 23 0 "[ . 1 . 2 ]" 1
121 1 12 TYR HB3 1 58 TRP HE1 5.000 . 5.000 4.611 4.013 4.925 . 0 0 "[ . 1 . 2 ]" 1
122 1 12 TYR HB3 1 35 VAL QG 5.000 . 5.000 3.537 2.980 4.001 . 0 0 "[ . 1 . 2 ]" 1
123 1 12 TYR HB3 1 37 PHE HZ 5.000 . 5.000 2.311 1.662 3.063 . 0 0 "[ . 1 . 2 ]" 1
124 1 12 TYR HB3 1 58 TRP HE1 5.000 . 5.000 4.741 4.038 5.080 0.080 11 0 "[ . 1 . 2 ]" 1
125 1 12 TYR HB3 1 58 TRP HZ2 5.000 . 5.000 4.644 4.270 5.186 0.186 23 0 "[ . 1 . 2 ]" 1
126 1 12 TYR HB3 1 62 LYS QG 5.000 . 5.000 4.157 2.988 4.858 . 0 0 "[ . 1 . 2 ]" 1
127 1 12 TYR QD 1 37 PHE HZ 5.000 . 5.000 1.981 1.424 2.715 . 0 0 "[ . 1 . 2 ]" 1
128 1 12 TYR QD 1 51 SER HB2 6.000 . 6.000 3.874 3.381 4.216 . 0 0 "[ . 1 . 2 ]" 1
129 1 12 TYR QD 1 51 SER HB3 6.000 . 6.000 3.788 3.274 4.084 . 0 0 "[ . 1 . 2 ]" 1
130 1 12 TYR QD 1 62 LYS QG 6.000 . 6.000 3.799 2.651 4.653 . 0 0 "[ . 1 . 2 ]" 1
131 1 12 TYR QE 1 51 SER HA 6.000 . 6.000 5.865 5.256 6.074 0.074 4 0 "[ . 1 . 2 ]" 1
132 1 12 TYR QE 1 51 SER HB2 5.000 . 5.000 4.447 3.322 5.036 0.036 9 0 "[ . 1 . 2 ]" 1
133 1 12 TYR QE 1 51 SER HB3 5.000 . 5.000 4.372 3.310 5.017 0.017 14 0 "[ . 1 . 2 ]" 1
134 1 12 TYR QE 1 58 TRP HB2 5.000 . 5.000 2.805 2.519 3.145 . 0 0 "[ . 1 . 2 ]" 1
135 1 12 TYR QE 1 58 TRP HB3 5.000 . 5.000 3.252 2.997 3.770 . 0 0 "[ . 1 . 2 ]" 1
136 1 12 TYR QE 1 58 TRP HD1 5.000 . 5.000 3.413 3.054 3.871 . 0 0 "[ . 1 . 2 ]" 1
137 1 12 TYR QE 1 60 THR H 5.000 . 5.000 4.764 3.969 5.031 0.031 17 0 "[ . 1 . 2 ]" 1
138 1 12 TYR QE 1 62 LYS H 5.000 . 5.000 2.907 2.268 4.106 . 0 0 "[ . 1 . 2 ]" 1
139 1 12 TYR QE 1 62 LYS HA 6.000 . 6.000 3.650 2.919 4.372 . 0 0 "[ . 1 . 2 ]" 1
140 1 12 TYR QE 1 62 LYS HB2 5.000 . 5.000 3.773 2.887 5.080 0.080 19 0 "[ . 1 . 2 ]" 1
141 1 12 TYR QE 1 62 LYS HB3 6.000 . 6.000 4.614 3.953 5.767 . 0 0 "[ . 1 . 2 ]" 1
142 1 12 TYR QE 1 62 LYS QG 6.000 . 6.000 4.287 3.048 5.275 . 0 0 "[ . 1 . 2 ]" 1
143 1 13 LEU H 1 13 LEU QB 2.700 . 2.700 2.526 2.388 2.749 0.049 23 0 "[ . 1 . 2 ]" 1
144 1 13 LEU H 1 13 LEU QD 5.000 . 5.000 2.786 1.524 3.578 . 0 0 "[ . 1 . 2 ]" 1
145 1 13 LEU H 1 13 LEU HG 3.300 . 3.300 2.329 1.836 3.625 0.325 24 0 "[ . 1 . 2 ]" 1
146 1 13 LEU HA 1 13 LEU QD . . 3.300 2.237 1.785 3.295 . 0 0 "[ . 1 . 2 ]" 1
147 1 13 LEU HA 1 20 VAL HB 5.000 . 5.000 2.947 1.733 4.636 . 0 0 "[ . 1 . 2 ]" 1
148 1 13 LEU HA 1 20 VAL QG . . 3.300 2.496 1.696 3.181 . 0 0 "[ . 1 . 2 ]" 1
149 1 13 LEU HA 1 35 VAL QG 6.000 . 6.000 4.142 3.220 4.833 . 0 0 "[ . 1 . 2 ]" 1
150 1 13 LEU QB 1 14 THR H 5.000 . 5.000 2.861 2.431 4.024 . 0 0 "[ . 1 . 2 ]" 1
151 1 13 LEU HB2 1 14 THR MG 6.000 . 6.000 4.120 2.923 5.749 . 0 0 "[ . 1 . 2 ]" 1
152 1 13 LEU HB2 1 21 PHE H 5.000 . 5.000 3.620 2.975 4.516 . 0 0 "[ . 1 . 2 ]" 1
153 1 13 LEU HB3 1 13 LEU HG 2.700 . 2.700 2.887 2.441 3.022 0.322 5 0 "[ . 1 . 2 ]" 1
154 1 13 LEU HB3 1 14 THR MG 6.000 . 6.000 4.669 2.586 6.322 0.322 9 0 "[ . 1 . 2 ]" 1
155 1 13 LEU HB3 1 19 LYS H 6.000 . 6.000 4.879 3.171 5.724 . 0 0 "[ . 1 . 2 ]" 1
156 1 13 LEU QD 1 14 THR H 6.000 . 6.000 3.660 1.792 4.008 . 0 0 "[ . 1 . 2 ]" 1
157 1 13 LEU QD 1 20 VAL HB 5.000 . 5.000 3.802 2.181 4.715 . 0 0 "[ . 1 . 2 ]" 1
158 1 13 LEU QD 1 58 TRP HH2 5.000 . 5.000 2.560 1.686 3.324 . 0 0 "[ . 1 . 2 ]" 1
159 1 13 LEU QD 1 58 TRP HZ2 6.000 . 6.000 2.880 1.897 3.629 . 0 0 "[ . 1 . 2 ]" 1
160 1 13 LEU QD 1 58 TRP HZ3 6.000 . 6.000 3.976 3.305 4.857 . 0 0 "[ . 1 . 2 ]" 1
161 1 13 LEU QD 1 58 TRP HZ2 6.000 . 6.000 3.071 1.899 4.621 . 0 0 "[ . 1 . 2 ]" 1
162 1 13 LEU HG 1 22 LEU QD 5.000 . 5.000 4.139 3.399 5.090 0.090 1 0 "[ . 1 . 2 ]" 1
163 1 13 LEU HG 1 23 THR H 6.000 . 6.000 5.394 4.547 5.986 . 0 0 "[ . 1 . 2 ]" 1
164 1 14 THR H 1 15 LEU H 6.000 . 6.000 4.156 2.839 4.578 . 0 0 "[ . 1 . 2 ]" 1
165 1 14 THR H 1 20 VAL QG 5.000 . 5.000 3.806 2.710 4.777 . 0 0 "[ . 1 . 2 ]" 1
166 1 14 THR H 1 62 LYS QE 6.000 . 6.000 5.157 3.477 5.743 . 0 0 "[ . 1 . 2 ]" 1
167 1 14 THR HA 1 14 THR MG 3.300 . 3.300 2.627 2.209 3.209 . 0 0 "[ . 1 . 2 ]" 1
168 1 14 THR HA 1 15 LEU H 2.700 . 2.700 2.243 2.144 2.566 . 0 0 "[ . 1 . 2 ]" 1
169 1 14 THR HA 1 15 LEU HB3 6.000 . 6.000 4.629 4.374 5.721 . 0 0 "[ . 1 . 2 ]" 1
170 1 14 THR HA 1 20 VAL QG 5.000 . 5.000 3.944 3.210 4.856 . 0 0 "[ . 1 . 2 ]" 1
171 1 14 THR HB 1 15 LEU H 5.000 . 5.000 3.853 2.925 4.449 . 0 0 "[ . 1 . 2 ]" 1
172 1 14 THR MG 1 15 LEU H 5.000 . 5.000 3.691 2.087 4.330 . 0 0 "[ . 1 . 2 ]" 1
173 1 14 THR MG 1 16 GLU HA 6.000 . 6.000 4.256 3.842 5.247 . 0 0 "[ . 1 . 2 ]" 1
174 1 15 LEU H 1 15 LEU HB3 3.300 . 3.300 2.794 2.397 3.852 0.552 21 1 "[ . 1 . 2+ ]" 1
175 1 15 LEU H 1 15 LEU HG 5.000 . 5.000 4.445 3.428 4.758 . 0 0 "[ . 1 . 2 ]" 1
176 1 15 LEU H 1 20 VAL QG 5.000 . 5.000 3.668 2.539 4.358 . 0 0 "[ . 1 . 2 ]" 1
177 1 15 LEU HA 1 15 LEU QD . . 3.300 2.054 1.808 2.739 . 0 0 "[ . 1 . 2 ]" 1
178 1 15 LEU HA 1 16 GLU H 2.700 . 2.700 2.164 2.140 2.201 . 0 0 "[ . 1 . 2 ]" 1
179 1 15 LEU HA 1 16 GLU HA 6.000 . 6.000 4.356 4.332 4.394 . 0 0 "[ . 1 . 2 ]" 1
180 1 15 LEU HA 1 16 GLU HB2 5.000 . 5.000 4.935 4.482 5.717 0.717 7 8 "[ * +- * . * *** ]" 1
181 1 15 LEU HA 1 16 GLU HB3 6.000 . 6.000 4.812 4.521 5.729 . 0 0 "[ . 1 . 2 ]" 1
182 1 15 LEU HA 1 20 VAL QG 6.000 . 6.000 4.530 3.889 5.596 . 0 0 "[ . 1 . 2 ]" 1
183 1 15 LEU HA 1 62 LYS QE 5.000 . 5.000 3.344 2.407 4.402 . 0 0 "[ . 1 . 2 ]" 1
184 1 15 LEU HB2 1 16 GLU H 6.000 . 6.000 4.186 4.050 4.486 . 0 0 "[ . 1 . 2 ]" 1
185 1 15 LEU HB2 1 18 GLY H 6.000 . 6.000 5.392 2.819 6.109 0.109 22 0 "[ . 1 . 2 ]" 1
186 1 15 LEU HB2 1 19 LYS H 6.000 . 6.000 5.792 4.170 6.138 0.138 20 0 "[ . 1 . 2 ]" 1
187 1 15 LEU HB2 1 37 PHE QD 5.000 . 5.000 4.032 3.347 4.542 . 0 0 "[ . 1 . 2 ]" 1
188 1 15 LEU HB2 1 37 PHE QE 6.000 . 6.000 4.424 3.781 5.277 . 0 0 "[ . 1 . 2 ]" 1
189 1 15 LEU HB3 1 16 GLU H 6.000 . 6.000 4.122 3.274 4.253 . 0 0 "[ . 1 . 2 ]" 1
190 1 15 LEU HB3 1 18 GLY H 5.000 . 5.000 3.867 2.087 4.601 . 0 0 "[ . 1 . 2 ]" 1
191 1 15 LEU HB3 1 18 GLY HA3 5.000 . 5.000 3.606 3.150 4.494 . 0 0 "[ . 1 . 2 ]" 1
192 1 15 LEU HB3 1 19 LYS H 6.000 . 6.000 4.474 3.773 5.073 . 0 0 "[ . 1 . 2 ]" 1
193 1 15 LEU HB3 1 20 VAL QG 5.000 . 5.000 2.957 2.347 4.452 . 0 0 "[ . 1 . 2 ]" 1
194 1 15 LEU HB3 1 20 VAL QG 5.000 . 5.000 3.020 2.356 5.015 0.015 21 0 "[ . 1 . 2 ]" 1
195 1 15 LEU HB3 1 37 PHE QD 5.000 . 5.000 4.883 4.505 5.059 0.059 21 0 "[ . 1 . 2 ]" 1
196 1 15 LEU QD 1 16 GLU H 5.000 . 5.000 2.210 1.908 3.309 . 0 0 "[ . 1 . 2 ]" 1
197 1 15 LEU QD 1 18 GLY H 6.000 . 6.000 3.817 1.474 4.687 . 0 0 "[ . 1 . 2 ]" 1
198 1 15 LEU QD 1 18 GLY HA2 5.000 . 5.000 4.107 3.204 4.801 . 0 0 "[ . 1 . 2 ]" 1
199 1 15 LEU QD 1 18 GLY HA3 5.000 . 5.000 2.762 1.830 3.424 . 0 0 "[ . 1 . 2 ]" 1
200 1 15 LEU QD 1 19 LYS H 5.000 . 5.000 3.908 3.192 4.684 . 0 0 "[ . 1 . 2 ]" 1
201 1 15 LEU QD 1 37 PHE H 5.000 . 5.000 3.378 2.849 4.172 . 0 0 "[ . 1 . 2 ]" 1
202 1 15 LEU QD 1 37 PHE HA 5.000 . 5.000 2.444 1.597 3.141 . 0 0 "[ . 1 . 2 ]" 1
203 1 15 LEU QD 1 37 PHE QD 3.300 . 3.300 2.226 1.691 2.568 . 0 0 "[ . 1 . 2 ]" 1
204 1 15 LEU QD 1 37 PHE QE 5.000 . 5.000 2.754 2.343 3.061 . 0 0 "[ . 1 . 2 ]" 1
205 1 15 LEU QD 1 63 PRO HD3 6.000 . 6.000 3.733 3.455 4.155 . 0 0 "[ . 1 . 2 ]" 1
206 1 15 LEU QD 1 37 PHE HZ 6.000 . 6.000 2.930 2.476 3.180 . 0 0 "[ . 1 . 2 ]" 1
207 1 15 LEU QD 1 37 PHE HB2 5.000 . 5.000 4.536 3.580 4.964 . 0 0 "[ . 1 . 2 ]" 1
208 1 15 LEU QD 1 37 PHE HB3 5.000 . 5.000 3.196 2.258 3.660 . 0 0 "[ . 1 . 2 ]" 1
209 1 15 LEU QD 1 37 PHE QD 3.300 . 3.300 2.489 1.714 2.966 . 0 0 "[ . 1 . 2 ]" 1
210 1 15 LEU QD 1 37 PHE QE 5.000 . 5.000 3.655 2.543 4.291 . 0 0 "[ . 1 . 2 ]" 1
211 1 15 LEU QD 1 38 ARG H 5.000 . 5.000 3.741 2.757 4.845 . 0 0 "[ . 1 . 2 ]" 1
212 1 15 LEU QD 1 39 CYS HA 5.000 . 5.000 3.704 3.046 4.775 . 0 0 "[ . 1 . 2 ]" 1
213 1 15 LEU QD 1 62 LYS QE . . 3.300 2.059 1.563 2.861 . 0 0 "[ . 1 . 2 ]" 1
214 1 15 LEU QD 1 63 PRO HG2 5.000 . 5.000 3.628 3.078 4.613 . 0 0 "[ . 1 . 2 ]" 1
215 1 15 LEU QD 1 64 HIS HA 5.000 . 5.000 3.682 2.857 4.277 . 0 0 "[ . 1 . 2 ]" 1
216 1 15 LEU QD 1 64 HIS QB 6.000 . 6.000 4.705 3.965 5.303 . 0 0 "[ . 1 . 2 ]" 1
217 1 15 LEU QD 1 65 CYS H 5.000 . 5.000 3.919 3.257 4.578 . 0 0 "[ . 1 . 2 ]" 1
218 1 15 LEU HG 1 16 GLU H 5.000 . 5.000 3.304 2.884 5.020 0.020 21 0 "[ . 1 . 2 ]" 1
219 1 15 LEU HG 1 65 CYS H 6.000 . 6.000 5.182 4.437 5.884 . 0 0 "[ . 1 . 2 ]" 1
220 1 15 LEU HG 1 18 GLY H 6.000 . 6.000 3.833 2.008 5.842 . 0 0 "[ . 1 . 2 ]" 1
221 1 15 LEU HG 1 18 GLY HA3 5.000 . 5.000 3.563 2.246 5.043 0.043 14 0 "[ . 1 . 2 ]" 1
222 1 15 LEU HG 1 19 LYS H 6.000 . 6.000 5.471 4.827 6.075 0.075 24 0 "[ . 1 . 2 ]" 1
223 1 15 LEU HG 1 63 PRO HG2 6.000 . 6.000 3.511 2.660 4.682 . 0 0 "[ . 1 . 2 ]" 1
224 1 16 GLU H 1 16 GLU QG 5.000 . 5.000 3.103 1.883 4.037 . 0 0 "[ . 1 . 2 ]" 1
225 1 16 GLU H 1 17 ASN H 5.000 . 5.000 4.109 3.013 4.603 . 0 0 "[ . 1 . 2 ]" 1
226 1 16 GLU HA 1 17 ASN H 2.700 . 2.700 2.380 2.155 2.904 0.204 14 0 "[ . 1 . 2 ]" 1
227 1 16 GLU HA 1 17 ASN HA 5.000 . 5.000 4.366 4.315 4.410 . 0 0 "[ . 1 . 2 ]" 1
228 1 16 GLU HA 1 18 GLY H 5.000 . 5.000 3.917 3.492 4.903 . 0 0 "[ . 1 . 2 ]" 1
229 1 16 GLU HA 1 40 ASP H 5.000 . 5.000 3.309 2.373 4.283 . 0 0 "[ . 1 . 2 ]" 1
230 1 16 GLU QB 1 17 ASN H 5.000 . 5.000 3.634 2.920 4.044 . 0 0 "[ . 1 . 2 ]" 1
231 1 16 GLU QB 1 17 ASN HD21 6.000 . 6.000 3.941 2.828 6.033 0.033 10 0 "[ . 1 . 2 ]" 1
232 1 16 GLU QB 1 17 ASN HD22 6.000 . 6.000 4.337 3.119 5.334 . 0 0 "[ . 1 . 2 ]" 1
233 1 16 GLU HB2 1 17 ASN H 6.000 . 6.000 4.131 2.993 4.628 . 0 0 "[ . 1 . 2 ]" 1
234 1 16 GLU HB3 1 17 ASN H 6.000 . 6.000 4.149 3.176 4.662 . 0 0 "[ . 1 . 2 ]" 1
235 1 16 GLU QG 1 17 ASN H 5.000 . 5.000 3.570 2.519 4.558 . 0 0 "[ . 1 . 2 ]" 1
236 1 16 GLU QG 1 17 ASN HA 6.000 . 6.000 4.713 3.856 6.163 0.163 14 0 "[ . 1 . 2 ]" 1
237 1 16 GLU QG 1 17 ASN HD21 5.000 . 5.000 3.358 2.003 5.062 0.062 15 0 "[ . 1 . 2 ]" 1
238 1 16 GLU QG 1 17 ASN HD22 5.000 . 5.000 3.593 2.419 5.071 0.071 14 0 "[ . 1 . 2 ]" 1
239 1 17 ASN H 1 17 ASN HA 2.700 . 2.700 2.460 2.272 2.878 0.178 10 0 "[ . 1 . 2 ]" 1
240 1 17 ASN H 1 18 GLY H 3.300 . 3.300 2.450 1.718 2.821 . 0 0 "[ . 1 . 2 ]" 1
241 1 17 ASN HA 1 18 GLY H 5.000 . 5.000 2.938 2.692 3.550 . 0 0 "[ . 1 . 2 ]" 1
242 1 17 ASN HB2 1 17 ASN HD21 3.300 . 3.300 2.603 2.111 3.374 0.074 15 0 "[ . 1 . 2 ]" 1
243 1 17 ASN HB2 1 43 PHE QE 6.000 . 6.000 5.420 4.358 6.077 0.077 10 0 "[ . 1 . 2 ]" 1
244 1 17 ASN HB2 1 65 CYS HB2 5.000 . 5.000 3.778 2.717 4.331 . 0 0 "[ . 1 . 2 ]" 1
245 1 17 ASN HB2 1 65 CYS HB3 5.000 . 5.000 4.604 3.714 5.094 0.094 8 0 "[ . 1 . 2 ]" 1
246 1 17 ASN HB3 1 18 GLY H 5.000 . 5.000 4.362 3.615 4.648 . 0 0 "[ . 1 . 2 ]" 1
247 1 17 ASN HB3 1 43 PHE QE 6.000 . 6.000 4.647 3.673 6.025 0.025 5 0 "[ . 1 . 2 ]" 1
248 1 17 ASN HB3 1 65 CYS HB2 5.000 . 5.000 4.391 2.532 5.030 0.030 6 0 "[ . 1 . 2 ]" 1
249 1 17 ASN HB3 1 65 CYS HB3 5.000 . 5.000 4.783 3.095 5.133 0.133 20 0 "[ . 1 . 2 ]" 1
250 1 18 GLY H 1 39 CYS HA 6.000 . 6.000 4.657 3.968 5.227 . 0 0 "[ . 1 . 2 ]" 1
251 1 18 GLY HA2 1 19 LYS H 2.700 . 2.700 2.523 2.203 2.921 0.221 8 0 "[ . 1 . 2 ]" 1
252 1 18 GLY HA2 1 39 CYS HA 3.300 . 3.300 2.586 1.719 3.307 0.007 10 0 "[ . 1 . 2 ]" 1
253 1 18 GLY HA2 1 40 ASP H 3.300 . 3.300 2.512 1.928 2.985 . 0 0 "[ . 1 . 2 ]" 1
254 1 18 GLY HA3 1 19 LYS H 2.700 . 2.700 2.588 2.176 2.905 0.205 18 0 "[ . 1 . 2 ]" 1
255 1 18 GLY HA3 1 39 CYS HA 3.300 . 3.300 2.433 1.699 3.197 . 0 0 "[ . 1 . 2 ]" 1
256 1 19 LYS H 1 19 LYS QB 3.300 . 3.300 2.710 2.370 3.158 . 0 0 "[ . 1 . 2 ]" 1
257 1 19 LYS H 1 19 LYS HD2 5.000 . 5.000 4.943 4.486 5.574 0.574 15 2 "[ . 1 + 2 - ]" 1
258 1 19 LYS H 1 19 LYS HG2 5.000 . 5.000 3.965 2.068 5.026 0.026 5 0 "[ . 1 . 2 ]" 1
259 1 19 LYS H 1 19 LYS HG3 5.000 . 5.000 3.456 2.558 5.053 0.053 22 0 "[ . 1 . 2 ]" 1
260 1 19 LYS H 1 20 VAL QG 6.000 . 6.000 4.195 3.659 4.674 . 0 0 "[ . 1 . 2 ]" 1
261 1 19 LYS H 1 37 PHE HA 5.000 . 5.000 3.434 2.676 3.885 . 0 0 "[ . 1 . 2 ]" 1
262 1 19 LYS H 1 38 ARG H 5.000 . 5.000 3.654 2.483 4.918 . 0 0 "[ . 1 . 2 ]" 1
263 1 19 LYS H 1 39 CYS HA 2.700 . 2.700 2.160 2.106 2.219 . 0 0 "[ . 1 . 2 ]" 1
264 1 19 LYS HA 1 20 VAL H 3.300 . 3.300 2.325 2.150 3.499 0.199 21 0 "[ . 1 . 2 ]" 1
265 1 19 LYS QB 1 19 LYS HG2 2.700 . 2.700 2.307 2.160 2.424 . 0 0 "[ . 1 . 2 ]" 1
266 1 19 LYS QB 1 19 LYS HG3 2.700 . 2.700 2.337 2.149 2.374 . 0 0 "[ . 1 . 2 ]" 1
267 1 19 LYS QB 1 20 VAL H 3.300 . 3.300 3.032 2.497 3.545 0.245 22 0 "[ . 1 . 2 ]" 1
268 1 19 LYS QB 1 21 PHE QE 5.000 . 5.000 3.359 2.667 4.473 . 0 0 "[ . 1 . 2 ]" 1
269 1 19 LYS QB 1 21 PHE HZ 6.000 . 6.000 5.032 4.272 5.928 . 0 0 "[ . 1 . 2 ]" 1
270 1 19 LYS HD2 1 21 PHE QE 6.000 . 6.000 5.156 3.207 6.084 0.084 10 0 "[ . 1 . 2 ]" 1
271 1 19 LYS HD2 1 21 PHE HZ 6.000 . 6.000 4.220 3.156 5.203 . 0 0 "[ . 1 . 2 ]" 1
272 1 19 LYS HD3 1 21 PHE QE 6.000 . 6.000 5.024 2.796 6.034 0.034 16 0 "[ . 1 . 2 ]" 1
273 1 19 LYS HG2 1 20 VAL H 5.000 . 5.000 4.283 2.732 5.100 0.100 9 0 "[ . 1 . 2 ]" 1
274 1 20 VAL H 1 20 VAL HB 2.700 . 2.700 2.620 2.523 2.982 0.282 21 0 "[ . 1 . 2 ]" 1
275 1 20 VAL H 1 20 VAL QG . . 3.300 2.662 2.438 3.148 . 0 0 "[ . 1 . 2 ]" 1
276 1 20 VAL HA 1 21 PHE H 2.700 . 2.700 2.139 2.088 2.158 . 0 0 "[ . 1 . 2 ]" 1
277 1 20 VAL HA 1 37 PHE HA 5.000 . 5.000 2.573 1.644 3.149 . 0 0 "[ . 1 . 2 ]" 1
278 1 20 VAL HB 1 21 PHE H 5.000 . 5.000 4.226 4.135 4.305 . 0 0 "[ . 1 . 2 ]" 1
279 1 20 VAL HB 1 24 GLY H 6.000 . 6.000 5.652 4.599 6.102 0.102 10 0 "[ . 1 . 2 ]" 1
280 1 20 VAL HB 1 35 VAL QG 6.000 . 6.000 3.977 3.559 4.393 . 0 0 "[ . 1 . 2 ]" 1
281 1 20 VAL HB 1 35 VAL QG 6.000 . 6.000 4.304 3.844 4.842 . 0 0 "[ . 1 . 2 ]" 1
282 1 20 VAL QG 1 21 PHE H . . 3.300 2.584 2.238 2.821 . 0 0 "[ . 1 . 2 ]" 1
283 1 20 VAL QG 1 22 LEU H 6.000 . 6.000 3.905 2.464 4.527 . 0 0 "[ . 1 . 2 ]" 1
284 1 20 VAL QG 1 22 LEU HA 5.000 . 5.000 3.613 3.008 3.952 . 0 0 "[ . 1 . 2 ]" 1
285 1 20 VAL QG 1 35 VAL HA 5.000 . 5.000 3.664 3.369 4.627 . 0 0 "[ . 1 . 2 ]" 1
286 1 20 VAL QG 1 36 GLU H 5.000 . 5.000 3.228 2.739 4.156 . 0 0 "[ . 1 . 2 ]" 1
287 1 20 VAL QG 1 37 PHE HA 5.000 . 5.000 2.514 1.602 3.429 . 0 0 "[ . 1 . 2 ]" 1
288 1 20 VAL QG 1 37 PHE QD 3.300 . 3.300 2.732 2.307 3.144 . 0 0 "[ . 1 . 2 ]" 1
289 1 20 VAL QG 1 37 PHE QE 5.000 . 5.000 2.903 2.419 3.342 . 0 0 "[ . 1 . 2 ]" 1
290 1 21 PHE H 1 21 PHE HB3 3.300 . 3.300 3.595 3.560 3.651 0.351 1 0 "[ . 1 . 2 ]" 1
291 1 21 PHE H 1 21 PHE QD 5.000 . 5.000 1.921 1.626 2.161 . 0 0 "[ . 1 . 2 ]" 1
292 1 21 PHE H 1 22 LEU HA 5.000 . 5.000 3.628 2.745 4.133 . 0 0 "[ . 1 . 2 ]" 1
293 1 21 PHE H 1 23 THR HB 6.000 . 6.000 4.090 3.901 4.304 . 0 0 "[ . 1 . 2 ]" 1
294 1 21 PHE H 1 35 VAL HA 6.000 . 6.000 4.609 4.171 5.189 . 0 0 "[ . 1 . 2 ]" 1
295 1 21 PHE H 1 35 VAL QG 6.000 . 6.000 4.377 2.603 4.830 . 0 0 "[ . 1 . 2 ]" 1
296 1 21 PHE H 1 36 GLU H 3.300 . 3.300 2.974 2.587 3.332 0.032 8 0 "[ . 1 . 2 ]" 1
297 1 21 PHE H 1 36 GLU HB2 5.000 . 5.000 4.371 2.684 5.418 0.418 6 0 "[ . 1 . 2 ]" 1
298 1 21 PHE HA 1 22 LEU H 2.700 . 2.700 2.231 2.134 2.543 . 0 0 "[ . 1 . 2 ]" 1
299 1 21 PHE HB2 1 22 LEU H 5.000 . 5.000 4.368 4.240 4.526 . 0 0 "[ . 1 . 2 ]" 1
300 1 21 PHE HB2 1 36 GLU H 5.000 . 5.000 2.352 1.825 2.747 . 0 0 "[ . 1 . 2 ]" 1
301 1 21 PHE HB2 1 36 GLU HB2 5.000 . 5.000 2.996 1.718 3.837 . 0 0 "[ . 1 . 2 ]" 1
302 1 21 PHE HB2 1 36 GLU HB3 5.000 . 5.000 2.680 1.959 3.638 . 0 0 "[ . 1 . 2 ]" 1
303 1 21 PHE HB3 1 22 LEU H 5.000 . 5.000 3.660 3.293 4.329 . 0 0 "[ . 1 . 2 ]" 1
304 1 21 PHE HB3 1 36 GLU H 5.000 . 5.000 3.639 2.960 3.929 . 0 0 "[ . 1 . 2 ]" 1
305 1 21 PHE HB3 1 36 GLU HB2 5.000 . 5.000 4.328 2.927 5.090 0.090 15 0 "[ . 1 . 2 ]" 1
306 1 21 PHE HB3 1 36 GLU HB3 5.000 . 5.000 4.153 2.856 5.075 0.075 14 0 "[ . 1 . 2 ]" 1
307 1 21 PHE QR 1 36 GLU H 6.000 . 6.000 4.013 3.513 4.321 . 0 0 "[ . 1 . 2 ]" 1
308 1 21 PHE QR 1 38 ARG H 6.000 . 6.000 4.024 2.776 4.717 . 0 0 "[ . 1 . 2 ]" 1
309 1 21 PHE QD 1 22 LEU H 6.000 . 6.000 4.612 4.478 4.881 . 0 0 "[ . 1 . 2 ]" 1
310 1 21 PHE QD 1 36 GLU HB2 6.000 . 6.000 4.383 2.830 5.495 . 0 0 "[ . 1 . 2 ]" 1
311 1 21 PHE QD 1 36 GLU HB3 6.000 . 6.000 3.739 2.699 4.630 . 0 0 "[ . 1 . 2 ]" 1
312 1 21 PHE QE 1 38 ARG HB2 6.000 . 6.000 3.743 2.251 5.504 . 0 0 "[ . 1 . 2 ]" 1
313 1 21 PHE QE 1 38 ARG HD3 5.000 . 5.000 3.988 1.832 5.889 0.889 2 2 "[-+ . 1 . 2 ]" 1
314 1 21 PHE QE 1 38 ARG HG2 6.000 . 6.000 3.821 2.155 5.024 . 0 0 "[ . 1 . 2 ]" 1
315 1 21 PHE QE 1 38 ARG HG3 5.000 . 5.000 4.248 2.446 5.702 0.702 3 2 "[ + . - . 2 ]" 1
316 1 22 LEU H 1 22 LEU HB2 2.700 . 2.700 2.748 2.391 3.628 0.928 20 2 "[- . 1 . + ]" 1
317 1 22 LEU H 1 22 LEU QD 5.000 . 5.000 3.505 1.310 3.811 . 0 0 "[ . 1 . 2 ]" 1
318 1 22 LEU HA 1 22 LEU QD 3.300 . 3.300 2.146 1.751 3.040 . 0 0 "[ . 1 . 2 ]" 1
319 1 22 LEU HA 1 23 THR H 2.700 . 2.700 2.219 2.169 2.329 . 0 0 "[ . 1 . 2 ]" 1
320 1 22 LEU HA 1 23 THR HB 6.000 . 6.000 4.582 4.488 4.638 . 0 0 "[ . 1 . 2 ]" 1
321 1 22 LEU HA 1 35 VAL HA 3.300 . 3.300 3.256 2.211 3.420 0.120 9 0 "[ . 1 . 2 ]" 1
322 1 22 LEU HA 1 35 VAL QG 5.000 . 5.000 1.917 1.349 2.318 . 0 0 "[ . 1 . 2 ]" 1
323 1 22 LEU HB2 1 23 THR H 5.000 . 5.000 3.917 2.567 4.272 . 0 0 "[ . 1 . 2 ]" 1
324 1 22 LEU HB2 1 35 VAL HA 5.000 . 5.000 4.188 3.917 4.716 . 0 0 "[ . 1 . 2 ]" 1
325 1 22 LEU HB3 1 24 GLY H 5.000 . 5.000 3.677 3.141 3.805 . 0 0 "[ . 1 . 2 ]" 1
326 1 22 LEU QD 1 23 THR H . . 3.300 1.915 1.543 3.014 . 0 0 "[ . 1 . 2 ]" 1
327 1 22 LEU QD 1 24 GLY H 6.000 . 6.000 2.023 1.364 2.713 . 0 0 "[ . 1 . 2 ]" 1
328 1 22 LEU QD 1 25 GLY H 5.000 . 5.000 3.098 1.780 4.239 . 0 0 "[ . 1 . 2 ]" 1
329 1 22 LEU QD 1 25 GLY QA 3.300 . 3.300 3.022 2.520 3.309 0.009 1 0 "[ . 1 . 2 ]" 1
330 1 22 LEU QD 1 25 GLY QA 2.700 . 2.700 2.366 1.831 2.810 0.110 2 0 "[ . 1 . 2 ]" 1
331 1 22 LEU QD 1 33 ALA HA 3.300 . 3.300 3.339 2.660 3.492 0.192 14 0 "[ . 1 . 2 ]" 1
332 1 22 LEU QD 1 35 VAL HA 5.000 . 5.000 4.301 3.883 4.870 . 0 0 "[ . 1 . 2 ]" 1
333 1 22 LEU QD 1 58 TRP HZ2 5.000 . 5.000 4.463 2.200 6.549 1.549 1 2 "[+ . 1 . - ]" 1
334 1 22 LEU HG 1 23 THR H 5.000 . 5.000 3.109 2.463 4.035 . 0 0 "[ . 1 . 2 ]" 1
335 1 22 LEU HG 1 24 GLY H 6.000 . 6.000 3.087 2.077 4.142 . 0 0 "[ . 1 . 2 ]" 1
336 1 22 LEU HG 1 25 GLY H 5.000 . 5.000 4.678 2.994 5.127 0.127 20 0 "[ . 1 . 2 ]" 1
337 1 22 LEU HG 1 25 GLY QA 5.000 . 5.000 4.599 3.699 5.089 0.089 1 0 "[ . 1 . 2 ]" 1
338 1 23 THR H 1 23 THR HB 3.300 . 3.300 3.045 2.818 3.120 . 0 0 "[ . 1 . 2 ]" 1
339 1 23 THR H 1 24 GLY H 6.000 . 6.000 2.782 2.247 3.566 . 0 0 "[ . 1 . 2 ]" 1
340 1 23 THR H 1 33 ALA MB 6.000 . 6.000 4.111 3.108 5.215 . 0 0 "[ . 1 . 2 ]" 1
341 1 23 THR H 1 34 ARG H 5.000 . 5.000 3.745 3.113 4.351 . 0 0 "[ . 1 . 2 ]" 1
342 1 23 THR H 1 35 VAL HA 5.000 . 5.000 3.820 3.186 4.235 . 0 0 "[ . 1 . 2 ]" 1
343 1 23 THR H 1 35 VAL QG 6.000 . 6.000 2.594 1.886 3.476 . 0 0 "[ . 1 . 2 ]" 1
344 1 23 THR HA 1 24 GLY H 2.700 . 2.700 2.537 2.224 2.720 0.020 10 0 "[ . 1 . 2 ]" 1
345 1 23 THR HA 1 25 GLY H 5.000 . 5.000 4.487 3.913 5.246 0.246 16 0 "[ . 1 . 2 ]" 1
346 1 23 THR HB 1 34 ARG H 5.000 . 5.000 2.749 2.235 3.581 . 0 0 "[ . 1 . 2 ]" 1
347 1 23 THR HB 1 34 ARG HB2 5.000 . 5.000 3.553 1.804 5.089 0.089 19 0 "[ . 1 . 2 ]" 1
348 1 23 THR HB 1 34 ARG HB3 5.000 . 5.000 3.812 2.411 5.118 0.118 5 0 "[ . 1 . 2 ]" 1
349 1 23 THR HB 1 34 ARG HB3 5.000 . 5.000 3.575 2.366 4.672 . 0 0 "[ . 1 . 2 ]" 1
350 1 23 THR HB 1 34 ARG HG3 6.000 . 6.000 4.832 2.584 5.941 . 0 0 "[ . 1 . 2 ]" 1
351 1 23 THR MG 1 24 GLY H 5.000 . 5.000 3.869 3.160 4.049 . 0 0 "[ . 1 . 2 ]" 1
352 1 23 THR MG 1 24 GLY HA3 6.000 . 6.000 4.610 4.200 4.902 . 0 0 "[ . 1 . 2 ]" 1
353 1 23 THR MG 1 34 ARG QD 6.000 . 6.000 4.594 2.224 5.977 . 0 0 "[ . 1 . 2 ]" 1
354 1 24 GLY H 1 24 GLY HA3 2.700 . 2.700 2.766 2.623 2.946 0.246 19 0 "[ . 1 . 2 ]" 1
355 1 24 GLY H 1 25 GLY H 3.300 . 3.300 2.960 1.597 3.521 0.221 18 0 "[ . 1 . 2 ]" 1
356 1 24 GLY HA2 1 25 GLY H 5.000 . 5.000 3.012 2.152 3.558 . 0 0 "[ . 1 . 2 ]" 1
357 1 24 GLY HA2 1 30 LEU QD 3.300 . 3.300 3.006 2.215 3.428 0.128 5 0 "[ . 1 . 2 ]" 1
358 1 24 GLY HA2 1 30 LEU HG 5.000 . 5.000 4.455 3.179 5.178 0.178 18 0 "[ . 1 . 2 ]" 1
359 1 24 GLY HA2 1 33 ALA HA 5.000 . 5.000 3.355 2.305 4.795 . 0 0 "[ . 1 . 2 ]" 1
360 1 24 GLY HA2 1 33 ALA MB 5.000 . 5.000 3.054 2.269 3.870 . 0 0 "[ . 1 . 2 ]" 1
361 1 24 GLY HA3 1 25 GLY H 5.000 . 5.000 2.823 2.155 3.557 . 0 0 "[ . 1 . 2 ]" 1
362 1 24 GLY HA3 1 30 LEU QD 3.300 . 3.300 2.213 1.857 2.954 . 0 0 "[ . 1 . 2 ]" 1
363 1 24 GLY HA3 1 30 LEU HG 5.000 . 5.000 3.670 2.693 5.042 0.042 10 0 "[ . 1 . 2 ]" 1
364 1 25 GLY H 1 25 GLY QA 2.700 . 2.700 2.372 2.181 2.503 . 0 0 "[ . 1 . 2 ]" 1
365 1 25 GLY H 1 27 LEU H 6.000 . 6.000 4.920 4.185 5.739 . 0 0 "[ . 1 . 2 ]" 1
366 1 25 GLY QA 1 26 ASP H 3.300 . 3.300 2.209 2.094 2.682 . 0 0 "[ . 1 . 2 ]" 1
367 1 25 GLY QA 1 33 ALA MB 5.000 . 5.000 4.727 3.956 5.239 0.239 9 0 "[ . 1 . 2 ]" 1
368 1 26 ASP H 1 26 ASP QB 3.300 . 3.300 3.092 2.643 3.386 0.086 4 0 "[ . 1 . 2 ]" 1
369 1 26 ASP H 1 27 LEU H 2.700 . 2.700 2.551 1.924 2.805 0.105 8 0 "[ . 1 . 2 ]" 1
370 1 26 ASP H 1 27 LEU HB2 5.000 . 5.000 4.431 3.531 5.058 0.058 22 0 "[ . 1 . 2 ]" 1
371 1 26 ASP HA 1 27 LEU H 5.000 . 5.000 2.707 2.444 2.871 . 0 0 "[ . 1 . 2 ]" 1
372 1 26 ASP QB 1 27 LEU H 6.000 . 6.000 3.968 3.850 4.046 . 0 0 "[ . 1 . 2 ]" 1
373 1 27 LEU H 1 27 LEU HB2 2.700 . 2.700 2.591 2.364 2.782 0.082 10 0 "[ . 1 . 2 ]" 1
374 1 27 LEU H 1 27 LEU QD 3.300 . 3.300 2.755 1.861 3.520 0.220 10 0 "[ . 1 . 2 ]" 1
375 1 27 LEU H 1 28 PRO HD2 5.000 . 5.000 4.965 4.676 5.111 0.111 5 0 "[ . 1 . 2 ]" 1
376 1 27 LEU H 1 28 PRO HD3 5.000 . 5.000 4.862 4.530 5.073 0.073 19 0 "[ . 1 . 2 ]" 1
377 1 27 LEU HA 1 27 LEU QD 2.700 . 2.700 2.239 1.683 2.828 0.128 15 0 "[ . 1 . 2 ]" 1
378 1 27 LEU HA 1 28 PRO HD2 2.700 . 2.700 2.626 2.199 2.792 0.092 22 0 "[ . 1 . 2 ]" 1
379 1 27 LEU HA 1 28 PRO HD3 2.700 . 2.700 2.200 1.941 2.593 . 0 0 "[ . 1 . 2 ]" 1
380 1 27 LEU HB2 1 27 LEU QD 2.700 . 2.700 2.177 2.044 2.353 . 0 0 "[ . 1 . 2 ]" 1
381 1 27 LEU HB2 1 28 PRO HD2 5.000 . 5.000 3.758 3.198 4.132 . 0 0 "[ . 1 . 2 ]" 1
382 1 27 LEU HB2 1 28 PRO HD3 5.000 . 5.000 4.572 4.312 4.948 . 0 0 "[ . 1 . 2 ]" 1
383 1 27 LEU HB2 1 30 LEU HA 5.000 . 5.000 2.763 2.006 3.808 . 0 0 "[ . 1 . 2 ]" 1
384 1 27 LEU HB2 1 33 ALA H 5.000 . 5.000 3.391 2.200 4.205 . 0 0 "[ . 1 . 2 ]" 1
385 1 27 LEU HB3 1 27 LEU QD 2.700 . 2.700 2.228 2.049 2.437 . 0 0 "[ . 1 . 2 ]" 1
386 1 27 LEU HB3 1 28 PRO HD2 5.000 . 5.000 2.185 1.655 2.671 . 0 0 "[ . 1 . 2 ]" 1
387 1 27 LEU HB3 1 28 PRO HD3 5.000 . 5.000 3.368 2.965 3.915 . 0 0 "[ . 1 . 2 ]" 1
388 1 27 LEU QD 1 28 PRO HD2 3.300 . 3.300 2.899 2.005 3.424 0.124 3 0 "[ . 1 . 2 ]" 1
389 1 27 LEU QD 1 28 PRO HD3 5.000 . 5.000 3.346 2.357 4.330 . 0 0 "[ . 1 . 2 ]" 1
390 1 27 LEU HG 1 31 ASP HA 5.000 . 5.000 3.939 3.634 4.280 . 0 0 "[ . 1 . 2 ]" 1
391 1 28 PRO HA 1 28 PRO HB2 2.700 . 2.700 2.952 2.698 2.998 0.298 8 0 "[ . 1 . 2 ]" 1
392 1 28 PRO HA 1 29 ALA H 2.700 . 2.700 2.261 2.131 2.914 0.214 16 0 "[ . 1 . 2 ]" 1
393 1 28 PRO HA 1 29 ALA HA 5.000 . 5.000 4.410 4.339 4.528 . 0 0 "[ . 1 . 2 ]" 1
394 1 28 PRO HA 1 29 ALA MB 5.000 . 5.000 3.935 3.772 4.335 . 0 0 "[ . 1 . 2 ]" 1
395 1 28 PRO HA 1 30 LEU H 5.000 . 5.000 3.956 3.519 4.972 . 0 0 "[ . 1 . 2 ]" 1
396 1 28 PRO HB2 1 29 ALA H 6.000 . 6.000 4.218 3.872 4.362 . 0 0 "[ . 1 . 2 ]" 1
397 1 29 ALA H 1 29 ALA HA 2.700 . 2.700 2.291 2.259 2.735 0.035 16 0 "[ . 1 . 2 ]" 1
398 1 29 ALA H 1 30 LEU H 5.000 . 5.000 2.933 2.213 3.331 . 0 0 "[ . 1 . 2 ]" 1
399 1 29 ALA HA 1 30 LEU H 5.000 . 5.000 3.298 2.836 3.551 . 0 0 "[ . 1 . 2 ]" 1
400 1 29 ALA MB 1 30 LEU H 5.000 . 5.000 3.093 2.534 3.658 . 0 0 "[ . 1 . 2 ]" 1
401 1 29 ALA MB 1 31 ASP H 5.000 . 5.000 3.397 2.844 3.999 . 0 0 "[ . 1 . 2 ]" 1
402 1 29 ALA MB 1 31 ASP HB2 5.000 . 5.000 3.351 2.720 3.843 . 0 0 "[ . 1 . 2 ]" 1
403 1 29 ALA MB 1 31 ASP HB3 5.000 . 5.000 4.519 3.716 5.062 0.062 13 0 "[ . 1 . 2 ]" 1
404 1 30 LEU H 1 30 LEU HA 2.700 . 2.700 2.268 2.258 2.282 . 0 0 "[ . 1 . 2 ]" 1
405 1 30 LEU H 1 30 LEU QD 3.300 . 3.300 3.061 1.826 3.517 0.217 24 0 "[ . 1 . 2 ]" 1
406 1 30 LEU H 1 31 ASP H 3.300 . 3.300 2.899 2.653 3.247 . 0 0 "[ . 1 . 2 ]" 1
407 1 30 LEU H 1 33 ALA MB 6.000 . 6.000 4.982 4.360 5.455 . 0 0 "[ . 1 . 2 ]" 1
408 1 30 LEU HA 1 30 LEU QD 2.700 . 2.700 2.026 1.670 2.814 0.114 14 0 "[ . 1 . 2 ]" 1
409 1 30 LEU HA 1 31 ASP H 5.000 . 5.000 2.627 2.311 2.806 . 0 0 "[ . 1 . 2 ]" 1
410 1 30 LEU HA 1 33 ALA MB 5.000 . 5.000 3.838 2.639 4.659 . 0 0 "[ . 1 . 2 ]" 1
411 1 30 LEU HB2 1 30 LEU QD 2.700 . 2.700 2.127 2.057 2.290 . 0 0 "[ . 1 . 2 ]" 1
412 1 30 LEU HB2 1 33 ALA MB 5.000 . 5.000 3.683 2.837 4.226 . 0 0 "[ . 1 . 2 ]" 1
413 1 30 LEU HB3 1 30 LEU HG 2.700 . 2.700 2.521 2.402 3.016 0.316 18 0 "[ . 1 . 2 ]" 1
414 1 30 LEU HB3 1 31 ASP H 6.000 . 6.000 4.305 4.175 4.422 . 0 0 "[ . 1 . 2 ]" 1
415 1 30 LEU HB3 1 33 ALA MB 5.000 . 5.000 2.618 1.376 3.736 . 0 0 "[ . 1 . 2 ]" 1
416 1 30 LEU QD 1 31 ASP H 5.000 . 5.000 4.053 3.486 4.357 . 0 0 "[ . 1 . 2 ]" 1
417 1 30 LEU HG 1 31 ASP H 5.000 . 5.000 4.819 4.293 5.084 0.084 18 0 "[ . 1 . 2 ]" 1
418 1 31 ASP H 1 31 ASP HB2 2.700 . 2.700 2.558 2.456 2.653 . 0 0 "[ . 1 . 2 ]" 1
419 1 31 ASP H 1 31 ASP HB3 2.700 . 2.700 2.536 2.440 2.653 . 0 0 "[ . 1 . 2 ]" 1
420 1 31 ASP HA 1 32 GLY H 2.700 . 2.700 2.482 2.148 2.766 0.066 22 0 "[ . 1 . 2 ]" 1
421 1 31 ASP HA 1 32 GLY HA3 5.000 . 5.000 4.592 4.413 4.724 . 0 0 "[ . 1 . 2 ]" 1
422 1 31 ASP HA 1 33 ALA H 5.000 . 5.000 4.015 3.365 4.457 . 0 0 "[ . 1 . 2 ]" 1
423 1 31 ASP HA 1 53 CYS QB 6.000 . 6.000 4.221 2.493 5.146 . 0 0 "[ . 1 . 2 ]" 1
424 1 31 ASP HA 1 55 GLN H 5.000 . 5.000 3.804 2.567 5.048 0.048 14 0 "[ . 1 . 2 ]" 1
425 1 31 ASP HB3 1 32 GLY H 5.000 . 5.000 4.250 3.969 4.470 . 0 0 "[ . 1 . 2 ]" 1
426 1 32 GLY H 1 32 GLY HA3 2.700 . 2.700 2.830 2.744 2.946 0.246 17 0 "[ . 1 . 2 ]" 1
427 1 32 GLY H 1 33 ALA H 2.700 . 2.700 2.049 1.549 2.819 0.119 2 0 "[ . 1 . 2 ]" 1
428 1 32 GLY H 1 33 ALA MB 5.000 . 5.000 3.619 3.164 4.341 . 0 0 "[ . 1 . 2 ]" 1
429 1 32 GLY H 1 53 CYS QB 5.000 . 5.000 3.617 2.663 4.594 . 0 0 "[ . 1 . 2 ]" 1
430 1 32 GLY H 1 54 SER HA 5.000 . 5.000 3.793 2.249 5.066 0.066 19 0 "[ . 1 . 2 ]" 1
431 1 32 GLY HA2 1 33 ALA H 5.000 . 5.000 3.249 2.859 3.521 . 0 0 "[ . 1 . 2 ]" 1
432 1 32 GLY HA2 1 52 VAL QG 5.000 . 5.000 3.326 1.821 3.826 . 0 0 "[ . 1 . 2 ]" 1
433 1 32 GLY HA2 1 52 VAL QG 5.000 . 5.000 2.604 1.639 3.155 . 0 0 "[ . 1 . 2 ]" 1
434 1 32 GLY HA2 1 54 SER HB3 6.000 . 6.000 3.847 3.165 4.906 . 0 0 "[ . 1 . 2 ]" 1
435 1 32 GLY HA3 1 33 ALA H 5.000 . 5.000 3.190 2.856 3.529 . 0 0 "[ . 1 . 2 ]" 1
436 1 32 GLY HA3 1 52 VAL QG 5.000 . 5.000 4.571 3.132 4.965 . 0 0 "[ . 1 . 2 ]" 1
437 1 32 GLY HA3 1 52 VAL QG . . 5.000 3.593 2.913 4.274 . 0 0 "[ . 1 . 2 ]" 1
438 1 33 ALA H 1 33 ALA MB 2.700 . 2.700 2.171 2.026 2.321 . 0 0 "[ . 1 . 2 ]" 1
439 1 33 ALA H 1 53 CYS H 5.000 . 5.000 3.941 2.344 4.736 . 0 0 "[ . 1 . 2 ]" 1
440 1 33 ALA H 1 53 CYS QB 5.000 . 5.000 2.929 1.425 3.726 . 0 0 "[ . 1 . 2 ]" 1
441 1 33 ALA HA 1 34 ARG H 2.700 . 2.700 2.254 2.147 2.364 . 0 0 "[ . 1 . 2 ]" 1
442 1 33 ALA MB 1 34 ARG H 3.300 . 3.300 2.774 2.556 3.270 . 0 0 "[ . 1 . 2 ]" 1
443 1 33 ALA MB 1 53 CYS H 6.000 . 6.000 2.997 2.089 3.669 . 0 0 "[ . 1 . 2 ]" 1
444 1 33 ALA MB 1 53 CYS QB 5.000 . 5.000 1.810 1.443 2.688 . 0 0 "[ . 1 . 2 ]" 1
445 1 33 ALA MB 1 58 TRP HH2 5.000 . 5.000 4.031 2.848 4.834 . 0 0 "[ . 1 . 2 ]" 1
446 1 33 ALA MB 1 58 TRP HZ2 6.000 . 6.000 5.397 4.149 6.103 0.103 20 0 "[ . 1 . 2 ]" 1
447 1 33 ALA MB 1 58 TRP HZ3 6.000 . 6.000 3.785 2.538 4.621 . 0 0 "[ . 1 . 2 ]" 1
448 1 34 ARG H 1 35 VAL H 5.000 . 5.000 4.270 3.984 4.555 . 0 0 "[ . 1 . 2 ]" 1
449 1 34 ARG HA 1 35 VAL H 2.700 . 2.700 2.187 2.136 2.275 . 0 0 "[ . 1 . 2 ]" 1
450 1 34 ARG HA 1 35 VAL QG 5.000 . 5.000 3.286 3.160 3.484 . 0 0 "[ . 1 . 2 ]" 1
451 1 34 ARG HA 1 52 VAL HA 3.300 . 3.300 2.546 2.022 3.033 . 0 0 "[ . 1 . 2 ]" 1
452 1 34 ARG HA 1 52 VAL QG 5.000 . 5.000 3.134 2.303 3.626 . 0 0 "[ . 1 . 2 ]" 1
453 1 34 ARG HA 1 53 CYS H 5.000 . 5.000 3.424 2.560 4.330 . 0 0 "[ . 1 . 2 ]" 1
454 1 34 ARG HA 1 58 TRP HZ3 5.000 . 5.000 3.821 2.108 4.952 . 0 0 "[ . 1 . 2 ]" 1
455 1 34 ARG HB2 1 35 VAL H 5.000 . 5.000 4.046 3.175 4.334 . 0 0 "[ . 1 . 2 ]" 1
456 1 34 ARG HB2 1 52 VAL HA 6.000 . 6.000 4.578 3.001 5.954 . 0 0 "[ . 1 . 2 ]" 1
457 1 34 ARG HB3 1 35 VAL H 5.000 . 5.000 3.515 2.741 4.294 . 0 0 "[ . 1 . 2 ]" 1
458 1 34 ARG QD 1 52 VAL QG 5.000 . 5.000 3.035 1.727 4.634 . 0 0 "[ . 1 . 2 ]" 1
459 1 34 ARG HG2 1 52 VAL HA 5.000 . 5.000 4.072 2.384 5.077 0.077 11 0 "[ . 1 . 2 ]" 1
460 1 34 ARG HG3 1 52 VAL HA 6.000 . 6.000 4.279 2.697 5.307 . 0 0 "[ . 1 . 2 ]" 1
461 1 34 ARG HG3 1 52 VAL HB 6.000 . 6.000 5.574 4.181 6.767 0.767 17 3 "[ . 1 *.-+ 2 ]" 1
462 1 35 VAL H 1 35 VAL QG . . 3.300 2.148 1.862 2.355 . 0 0 "[ . 1 . 2 ]" 1
463 1 35 VAL H 1 51 SER H 3.300 . 3.300 3.232 2.908 3.368 0.068 1 0 "[ . 1 . 2 ]" 1
464 1 35 VAL H 1 58 TRP HH2 6.000 . 6.000 5.357 3.647 6.095 0.095 13 0 "[ . 1 . 2 ]" 1
465 1 35 VAL H 1 58 TRP HZ3 5.000 . 5.000 3.457 1.979 4.199 . 0 0 "[ . 1 . 2 ]" 1
466 1 35 VAL HA 1 35 VAL QG 3.300 . 3.300 2.278 2.191 2.391 . 0 0 "[ . 1 . 2 ]" 1
467 1 35 VAL HA 1 36 GLU H 2.700 . 2.700 2.182 2.141 2.298 . 0 0 "[ . 1 . 2 ]" 1
468 1 35 VAL HB 1 36 GLU H 3.300 . 3.300 3.093 2.851 3.741 0.441 6 0 "[ . 1 . 2 ]" 1
469 1 35 VAL QG 1 36 GLU H 5.000 . 5.000 3.304 1.533 3.512 . 0 0 "[ . 1 . 2 ]" 1
470 1 35 VAL QG 1 37 PHE QE 6.000 . 6.000 1.898 1.619 2.376 . 0 0 "[ . 1 . 2 ]" 1
471 1 35 VAL QG 1 37 PHE QE 5.000 . 5.000 1.758 1.483 2.216 . 0 0 "[ . 1 . 2 ]" 1
472 1 35 VAL QG 1 37 PHE HZ 5.000 . 5.000 2.834 2.255 3.100 . 0 0 "[ . 1 . 2 ]" 1
473 1 35 VAL QG 1 50 ARG HA 5.000 . 5.000 4.022 3.369 4.454 . 0 0 "[ . 1 . 2 ]" 1
474 1 35 VAL QG 1 51 SER H . . 3.300 2.834 2.163 3.235 . 0 0 "[ . 1 . 2 ]" 1
475 1 35 VAL QG 1 51 SER HA 6.000 . 6.000 4.251 3.764 4.667 . 0 0 "[ . 1 . 2 ]" 1
476 1 35 VAL QG 1 51 SER HB2 . . 5.000 2.933 1.863 3.804 . 0 0 "[ . 1 . 2 ]" 1
477 1 35 VAL QG 1 51 SER HB3 . . 5.000 2.883 1.973 3.716 . 0 0 "[ . 1 . 2 ]" 1
478 1 35 VAL QG 1 52 VAL HA 6.000 . 6.000 4.042 3.288 4.631 . 0 0 "[ . 1 . 2 ]" 1
479 1 35 VAL QG 1 58 TRP HE3 6.000 . 6.000 2.913 2.631 3.451 . 0 0 "[ . 1 . 2 ]" 1
480 1 35 VAL QG 1 58 TRP HH2 5.000 . 5.000 2.148 1.805 3.203 . 0 0 "[ . 1 . 2 ]" 1
481 1 35 VAL QG 1 58 TRP HZ2 6.000 . 6.000 3.754 2.797 4.447 . 0 0 "[ . 1 . 2 ]" 1
482 1 35 VAL QG 1 58 TRP HZ3 5.000 . 5.000 1.862 1.378 2.668 . 0 0 "[ . 1 . 2 ]" 1
483 1 36 GLU H 1 36 GLU HB3 3.300 . 3.300 2.938 2.484 3.736 0.436 18 0 "[ . 1 . 2 ]" 1
484 1 36 GLU H 1 37 PHE H 6.000 . 6.000 4.288 3.681 4.571 . 0 0 "[ . 1 . 2 ]" 1
485 1 36 GLU HA 1 37 PHE H 2.700 . 2.700 2.158 2.122 2.252 . 0 0 "[ . 1 . 2 ]" 1
486 1 36 GLU HA 1 37 PHE HB2 6.000 . 6.000 4.566 4.449 4.634 . 0 0 "[ . 1 . 2 ]" 1
487 1 36 GLU HA 1 37 PHE QD 6.000 . 6.000 3.081 2.795 3.530 . 0 0 "[ . 1 . 2 ]" 1
488 1 36 GLU HA 1 50 ARG HA 3.300 . 3.300 2.982 2.437 3.246 . 0 0 "[ . 1 . 2 ]" 1
489 1 36 GLU HA 1 51 SER H 5.000 . 5.000 4.023 3.775 4.232 . 0 0 "[ . 1 . 2 ]" 1
490 1 36 GLU HB2 1 37 PHE H 5.000 . 5.000 3.586 3.160 4.157 . 0 0 "[ . 1 . 2 ]" 1
491 1 36 GLU HB3 1 37 PHE H 5.000 . 5.000 4.005 2.977 4.476 . 0 0 "[ . 1 . 2 ]" 1
492 1 36 GLU HG2 1 37 PHE H 5.000 . 5.000 4.000 3.190 5.036 0.036 15 0 "[ . 1 . 2 ]" 1
493 1 36 GLU HG3 1 37 PHE H 5.000 . 5.000 3.989 3.255 5.122 0.122 14 0 "[ . 1 . 2 ]" 1
494 1 37 PHE H 1 37 PHE HB2 2.700 . 2.700 2.464 2.342 2.631 . 0 0 "[ . 1 . 2 ]" 1
495 1 37 PHE H 1 37 PHE QD 3.300 . 3.300 1.890 1.576 2.348 . 0 0 "[ . 1 . 2 ]" 1
496 1 37 PHE H 1 49 SER HA 5.000 . 5.000 3.668 3.310 4.006 . 0 0 "[ . 1 . 2 ]" 1
497 1 37 PHE H 1 50 ARG HA 5.000 . 5.000 3.452 2.965 4.271 . 0 0 "[ . 1 . 2 ]" 1
498 1 37 PHE HA 1 38 ARG H 2.700 . 2.700 2.295 2.181 2.767 0.067 4 0 "[ . 1 . 2 ]" 1
499 1 37 PHE HA 1 45 LEU QD 6.000 . 6.000 2.982 2.457 3.495 . 0 0 "[ . 1 . 2 ]" 1
500 1 37 PHE HB2 1 37 PHE QD 3.300 . 3.300 2.606 2.473 2.675 . 0 0 "[ . 1 . 2 ]" 1
501 1 37 PHE HB2 1 38 ARG H 5.000 . 5.000 4.008 3.839 4.388 . 0 0 "[ . 1 . 2 ]" 1
502 1 37 PHE HB2 1 45 LEU QD 5.000 . 5.000 2.343 1.847 3.399 . 0 0 "[ . 1 . 2 ]" 1
503 1 37 PHE HB2 1 49 SER HA 5.000 . 5.000 2.286 1.829 2.944 . 0 0 "[ . 1 . 2 ]" 1
504 1 37 PHE HB2 1 63 PRO HG2 6.000 . 6.000 4.004 2.739 4.996 . 0 0 "[ . 1 . 2 ]" 1
505 1 37 PHE HB2 1 63 PRO HG3 5.000 . 5.000 3.442 2.653 4.767 . 0 0 "[ . 1 . 2 ]" 1
506 1 37 PHE HB3 1 37 PHE QD 3.300 . 3.300 2.267 2.255 2.316 . 0 0 "[ . 1 . 2 ]" 1
507 1 37 PHE HB3 1 37 PHE QE 5.000 . 5.000 4.369 4.364 4.383 . 0 0 "[ . 1 . 2 ]" 1
508 1 37 PHE HB3 1 38 ARG H 5.000 . 5.000 3.045 2.644 4.447 . 0 0 "[ . 1 . 2 ]" 1
509 1 37 PHE HB3 1 45 LEU QD 5.000 . 5.000 2.555 2.054 3.488 . 0 0 "[ . 1 . 2 ]" 1
510 1 37 PHE HB3 1 49 SER HA 5.000 . 5.000 3.772 3.230 4.666 . 0 0 "[ . 1 . 2 ]" 1
511 1 37 PHE HB3 1 63 PRO HG2 6.000 . 6.000 3.686 2.915 4.472 . 0 0 "[ . 1 . 2 ]" 1
512 1 37 PHE HB3 1 63 PRO HG3 5.000 . 5.000 3.907 2.995 4.996 . 0 0 "[ . 1 . 2 ]" 1
513 1 37 PHE QD 1 38 ARG H 5.000 . 5.000 4.238 3.881 4.848 . 0 0 "[ . 1 . 2 ]" 1
514 1 37 PHE QD 1 45 LEU QD . . 5.000 3.477 3.058 4.006 . 0 0 "[ . 1 . 2 ]" 1
515 1 37 PHE QD 1 49 SER HA 5.000 . 5.000 3.747 3.352 4.129 . 0 0 "[ . 1 . 2 ]" 1
516 1 37 PHE QD 1 50 ARG H 6.000 . 6.000 4.590 3.769 5.481 . 0 0 "[ . 1 . 2 ]" 1
517 1 37 PHE QD 1 50 ARG HA 5.000 . 5.000 3.184 2.103 3.993 . 0 0 "[ . 1 . 2 ]" 1
518 1 37 PHE QD 1 51 SER H 6.000 . 6.000 3.762 3.205 4.343 . 0 0 "[ . 1 . 2 ]" 1
519 1 37 PHE QD 1 51 SER HB2 6.000 . 6.000 4.501 3.580 5.902 . 0 0 "[ . 1 . 2 ]" 1
520 1 37 PHE QD 1 51 SER HB3 6.000 . 6.000 4.789 3.731 5.961 . 0 0 "[ . 1 . 2 ]" 1
521 1 37 PHE QD 1 63 PRO HD2 6.000 . 6.000 3.012 2.464 3.695 . 0 0 "[ . 1 . 2 ]" 1
522 1 37 PHE QD 1 63 PRO HD3 6.000 . 6.000 3.978 3.338 4.779 . 0 0 "[ . 1 . 2 ]" 1
523 1 37 PHE QD 1 63 PRO HG2 5.000 . 5.000 3.476 2.783 4.264 . 0 0 "[ . 1 . 2 ]" 1
524 1 37 PHE QD 1 63 PRO HG3 5.000 . 5.000 3.843 2.966 4.785 . 0 0 "[ . 1 . 2 ]" 1
525 1 37 PHE QE 1 51 SER H 6.000 . 6.000 3.283 2.144 4.148 . 0 0 "[ . 1 . 2 ]" 1
526 1 37 PHE QE 1 51 SER HB2 5.000 . 5.000 2.666 1.865 4.356 . 0 0 "[ . 1 . 2 ]" 1
527 1 37 PHE QE 1 51 SER QB 6.000 . 6.000 2.184 1.805 3.354 . 0 0 "[ . 1 . 2 ]" 1
528 1 37 PHE QE 1 51 SER HB3 5.000 . 5.000 2.869 1.841 4.129 . 0 0 "[ . 1 . 2 ]" 1
529 1 37 PHE QE 1 62 LYS HA 6.000 . 6.000 3.422 2.589 4.215 . 0 0 "[ . 1 . 2 ]" 1
530 1 37 PHE QE 1 63 PRO HD2 6.000 . 6.000 3.096 2.538 3.930 . 0 0 "[ . 1 . 2 ]" 1
531 1 37 PHE QE 1 63 PRO HD3 5.000 . 5.000 3.906 2.902 4.775 . 0 0 "[ . 1 . 2 ]" 1
532 1 37 PHE QE 1 63 PRO HG3 6.000 . 6.000 4.851 4.064 5.637 . 0 0 "[ . 1 . 2 ]" 1
533 1 37 PHE HZ 1 51 SER HB2 6.000 . 6.000 3.558 2.552 4.459 . 0 0 "[ . 1 . 2 ]" 1
534 1 37 PHE HZ 1 51 SER HB3 6.000 . 6.000 3.539 2.779 4.371 . 0 0 "[ . 1 . 2 ]" 1
535 1 37 PHE HZ 1 53 CYS QB 6.000 . 6.000 3.881 2.745 5.164 . 0 0 "[ . 1 . 2 ]" 1
536 1 38 ARG H 1 39 CYS H 6.000 . 6.000 4.140 3.877 4.581 . 0 0 "[ . 1 . 2 ]" 1
537 1 38 ARG HA 1 39 CYS H 2.700 . 2.700 2.153 2.128 2.188 . 0 0 "[ . 1 . 2 ]" 1
538 1 38 ARG HA 1 45 LEU QD 5.000 . 5.000 2.870 2.236 3.304 . 0 0 "[ . 1 . 2 ]" 1
539 1 38 ARG HB2 1 38 ARG HG2 2.700 . 2.700 2.768 2.442 3.011 0.311 5 0 "[ . 1 . 2 ]" 1
540 1 38 ARG HB2 1 38 ARG HG3 2.700 . 2.700 2.642 2.393 3.012 0.312 19 0 "[ . 1 . 2 ]" 1
541 1 38 ARG HB2 1 39 CYS H 5.000 . 5.000 4.025 3.024 4.439 . 0 0 "[ . 1 . 2 ]" 1
542 1 38 ARG HB3 1 39 CYS H 5.000 . 5.000 2.750 2.274 3.367 . 0 0 "[ . 1 . 2 ]" 1
543 1 38 ARG HB3 1 39 CYS H 5.000 . 5.000 4.055 3.176 4.334 . 0 0 "[ . 1 . 2 ]" 1
544 1 38 ARG HG2 1 39 CYS H 6.000 . 6.000 4.261 3.035 5.431 . 0 0 "[ . 1 . 2 ]" 1
545 1 38 ARG HG3 1 39 CYS H 6.000 . 6.000 3.778 2.908 5.401 . 0 0 "[ . 1 . 2 ]" 1
546 1 39 CYS H 1 39 CYS HB2 3.300 . 3.300 2.485 2.310 2.655 . 0 0 "[ . 1 . 2 ]" 1
547 1 39 CYS H 1 39 CYS HB2 3.300 . 3.300 2.458 2.293 2.620 . 0 0 "[ . 1 . 2 ]" 1
548 1 39 CYS H 1 45 LEU HB3 5.000 . 5.000 4.131 3.532 5.033 0.033 9 0 "[ . 1 . 2 ]" 1
549 1 39 CYS H 1 45 LEU QD 5.000 . 5.000 3.607 2.989 4.306 . 0 0 "[ . 1 . 2 ]" 1
550 1 39 CYS HA 1 40 ASP H 2.700 . 2.700 2.265 2.176 2.343 . 0 0 "[ . 1 . 2 ]" 1
551 1 39 CYS HA 1 40 ASP HB3 6.000 . 6.000 5.187 4.473 5.824 . 0 0 "[ . 1 . 2 ]" 1
552 1 39 CYS HB2 1 40 ASP H 5.000 . 5.000 3.907 3.741 4.088 . 0 0 "[ . 1 . 2 ]" 1
553 1 39 CYS HB2 1 43 PHE HB2 5.000 . 5.000 3.508 2.820 4.516 . 0 0 "[ . 1 . 2 ]" 1
554 1 39 CYS HB2 1 44 HIS HA 5.000 . 5.000 3.639 2.733 4.995 . 0 0 "[ . 1 . 2 ]" 1
555 1 39 CYS HB2 1 45 LEU H 5.000 . 5.000 3.551 2.912 4.286 . 0 0 "[ . 1 . 2 ]" 1
556 1 39 CYS HB3 1 40 ASP H 5.000 . 5.000 2.920 2.466 3.774 . 0 0 "[ . 1 . 2 ]" 1
557 1 39 CYS HB3 1 43 PHE H 5.000 . 5.000 4.208 3.611 4.912 . 0 0 "[ . 1 . 2 ]" 1
558 1 39 CYS HB3 1 43 PHE HB2 5.000 . 5.000 2.556 2.042 3.742 . 0 0 "[ . 1 . 2 ]" 1
559 1 39 CYS HB3 1 43 PHE HB3 5.000 . 5.000 3.472 2.207 4.731 . 0 0 "[ . 1 . 2 ]" 1
560 1 39 CYS HB3 1 43 PHE QD 6.000 . 6.000 4.425 3.814 5.405 . 0 0 "[ . 1 . 2 ]" 1
561 1 39 CYS HB3 1 44 HIS H 6.000 . 6.000 5.118 4.570 5.946 . 0 0 "[ . 1 . 2 ]" 1
562 1 39 CYS HB3 1 44 HIS HA 6.000 . 6.000 4.540 3.143 5.623 . 0 0 "[ . 1 . 2 ]" 1
563 1 39 CYS HB3 1 65 CYS HB2 5.000 . 5.000 3.897 3.689 4.594 . 0 0 "[ . 1 . 2 ]" 1
564 1 39 CYS HB3 1 65 CYS HB3 5.000 . 5.000 3.143 2.495 4.355 . 0 0 "[ . 1 . 2 ]" 1
565 1 40 ASP H 1 40 ASP HB3 3.300 . 3.300 3.038 2.393 3.598 0.298 14 0 "[ . 1 . 2 ]" 1
566 1 40 ASP H 1 41 PRO HD3 6.000 . 6.000 4.967 4.651 5.388 . 0 0 "[ . 1 . 2 ]" 1
567 1 40 ASP H 1 43 PHE HB2 5.000 . 5.000 4.022 3.328 4.373 . 0 0 "[ . 1 . 2 ]" 1
568 1 40 ASP H 1 43 PHE HB3 6.000 . 6.000 5.548 4.279 6.038 0.038 24 0 "[ . 1 . 2 ]" 1
569 1 40 ASP H 1 43 PHE QD 6.000 . 6.000 4.857 4.442 5.553 . 0 0 "[ . 1 . 2 ]" 1
570 1 40 ASP HA 1 41 PRO HD2 3.300 . 3.300 2.603 2.203 3.171 . 0 0 "[ . 1 . 2 ]" 1
571 1 40 ASP HA 1 41 PRO HD3 2.700 . 2.700 2.269 1.928 2.727 0.027 18 0 "[ . 1 . 2 ]" 1
572 1 40 ASP HB2 1 41 PRO HD2 3.300 . 3.300 2.941 1.792 4.016 0.716 22 3 "[ . - * . 2 + ]" 1
573 1 40 ASP HB2 1 41 PRO HD3 5.000 . 5.000 3.962 2.627 4.884 . 0 0 "[ . 1 . 2 ]" 1
574 1 40 ASP HB2 1 43 PHE QD 5.000 . 5.000 4.262 3.453 5.051 0.051 9 0 "[ . 1 . 2 ]" 1
575 1 40 ASP HB3 1 42 ASP H 5.000 . 5.000 3.782 3.105 4.242 . 0 0 "[ . 1 . 2 ]" 1
576 1 40 ASP HB3 1 41 PRO HD2 5.000 . 5.000 2.795 1.861 3.893 . 0 0 "[ . 1 . 2 ]" 1
577 1 40 ASP HB3 1 41 PRO HD3 5.000 . 5.000 3.780 2.721 4.829 . 0 0 "[ . 1 . 2 ]" 1
578 1 40 ASP HB3 1 43 PHE QD 5.000 . 5.000 4.946 3.569 5.084 0.084 19 0 "[ . 1 . 2 ]" 1
579 1 40 ASP HB3 1 43 PHE QE 6.000 . 6.000 5.888 4.114 6.418 0.418 19 0 "[ . 1 . 2 ]" 1
580 1 41 PRO HA 1 42 ASP H 2.700 . 2.700 2.403 2.157 2.716 0.016 23 0 "[ . 1 . 2 ]" 1
581 1 41 PRO HB2 1 42 ASP H 5.000 . 5.000 3.933 3.108 4.345 . 0 0 "[ . 1 . 2 ]" 1
582 1 41 PRO HB3 1 42 ASP H 5.000 . 5.000 3.922 2.856 4.652 . 0 0 "[ . 1 . 2 ]" 1
583 1 41 PRO HD2 1 42 ASP H 6.000 . 6.000 5.148 4.205 5.813 . 0 0 "[ . 1 . 2 ]" 1
584 1 42 ASP H 1 42 ASP HA 2.700 . 2.700 2.586 2.276 2.876 0.176 20 0 "[ . 1 . 2 ]" 1
585 1 42 ASP H 1 43 PHE H 3.300 . 3.300 2.376 1.709 3.172 . 0 0 "[ . 1 . 2 ]" 1
586 1 42 ASP H 1 43 PHE HA 5.000 . 5.000 3.977 3.612 4.531 . 0 0 "[ . 1 . 2 ]" 1
587 1 42 ASP H 1 43 PHE QD 5.000 . 5.000 4.057 3.386 4.865 . 0 0 "[ . 1 . 2 ]" 1
588 1 42 ASP H 1 43 PHE QD 5.000 . 5.000 3.091 2.467 3.845 . 0 0 "[ . 1 . 2 ]" 1
589 1 42 ASP H 1 43 PHE QE 6.000 . 6.000 3.846 3.098 4.645 . 0 0 "[ . 1 . 2 ]" 1
590 1 42 ASP H 1 68 ASN HD22 6.000 . 6.000 5.005 3.783 6.165 0.165 19 0 "[ . 1 . 2 ]" 1
591 1 42 ASP HA 1 43 PHE H 5.000 . 5.000 3.487 3.021 3.526 . 0 0 "[ . 1 . 2 ]" 1
592 1 42 ASP HA 1 68 ASN HD21 5.000 . 5.000 3.006 1.768 5.002 0.002 18 0 "[ . 1 . 2 ]" 1
593 1 42 ASP HA 1 68 ASN HD22 5.000 . 5.000 3.480 2.238 4.336 . 0 0 "[ . 1 . 2 ]" 1
594 1 42 ASP HB2 1 43 PHE QD 6.000 . 6.000 3.013 1.892 4.251 . 0 0 "[ . 1 . 2 ]" 1
595 1 42 ASP HB2 1 43 PHE QE 6.000 . 6.000 3.490 2.775 4.460 . 0 0 "[ . 1 . 2 ]" 1
596 1 42 ASP HB3 1 43 PHE QD 6.000 . 6.000 2.738 1.839 4.007 . 0 0 "[ . 1 . 2 ]" 1
597 1 42 ASP HB3 1 43 PHE QE 6.000 . 6.000 3.220 2.609 4.959 . 0 0 "[ . 1 . 2 ]" 1
598 1 43 PHE H 1 43 PHE HB2 3.300 . 3.300 2.585 2.424 2.716 . 0 0 "[ . 1 . 2 ]" 1
599 1 43 PHE H 1 43 PHE QD 3.300 . 3.300 2.173 2.019 2.847 . 0 0 "[ . 1 . 2 ]" 1
600 1 43 PHE H 1 43 PHE QE 6.000 . 6.000 4.355 4.147 4.975 . 0 0 "[ . 1 . 2 ]" 1
601 1 43 PHE H 1 68 ASN HD21 6.000 . 6.000 4.978 4.050 5.535 . 0 0 "[ . 1 . 2 ]" 1
602 1 43 PHE H 1 68 ASN HD22 6.000 . 6.000 5.252 3.195 6.025 0.025 19 0 "[ . 1 . 2 ]" 1
603 1 43 PHE HA 1 44 HIS H 2.700 . 2.700 2.210 2.164 2.273 . 0 0 "[ . 1 . 2 ]" 1
604 1 43 PHE HA 1 67 VAL HA 3.300 . 3.300 2.577 1.710 3.223 . 0 0 "[ . 1 . 2 ]" 1
605 1 43 PHE HA 1 67 VAL QG 5.000 . 5.000 3.947 3.335 4.466 . 0 0 "[ . 1 . 2 ]" 1
606 1 43 PHE HA 1 68 ASN H 3.300 . 3.300 3.144 2.853 3.368 0.068 24 0 "[ . 1 . 2 ]" 1
607 1 43 PHE HB2 1 44 HIS H 6.000 . 6.000 4.078 3.913 4.223 . 0 0 "[ . 1 . 2 ]" 1
608 1 43 PHE HB2 1 65 CYS HA 6.000 . 6.000 5.023 4.263 6.031 0.031 16 0 "[ . 1 . 2 ]" 1
609 1 43 PHE HB2 1 65 CYS HB2 5.000 . 5.000 4.211 3.569 5.038 0.038 18 0 "[ . 1 . 2 ]" 1
610 1 43 PHE HB2 1 65 CYS HB3 5.000 . 5.000 2.867 2.165 3.603 . 0 0 "[ . 1 . 2 ]" 1
611 1 43 PHE HB2 1 66 GLN H 6.000 . 6.000 4.881 4.260 5.993 . 0 0 "[ . 1 . 2 ]" 1
612 1 43 PHE HB3 1 44 HIS H 3.300 . 3.300 3.129 2.875 3.329 0.029 17 0 "[ . 1 . 2 ]" 1
613 1 43 PHE HB3 1 65 CYS HA 6.000 . 6.000 3.958 3.418 4.672 . 0 0 "[ . 1 . 2 ]" 1
614 1 43 PHE HB3 1 65 CYS HB2 5.000 . 5.000 3.645 3.026 4.182 . 0 0 "[ . 1 . 2 ]" 1
615 1 43 PHE HB3 1 66 GLN H 6.000 . 6.000 3.338 2.811 4.342 . 0 0 "[ . 1 . 2 ]" 1
616 1 43 PHE HB3 1 67 VAL HA 6.000 . 6.000 3.769 3.288 4.415 . 0 0 "[ . 1 . 2 ]" 1
617 1 43 PHE QD 1 44 HIS H 5.000 . 5.000 4.456 4.269 4.601 . 0 0 "[ . 1 . 2 ]" 1
618 1 43 PHE QD 1 65 CYS HB2 5.000 . 5.000 3.823 2.869 4.629 . 0 0 "[ . 1 . 2 ]" 1
619 1 43 PHE QD 1 65 CYS HB3 5.000 . 5.000 3.242 2.383 4.023 . 0 0 "[ . 1 . 2 ]" 1
620 1 43 PHE QD 1 66 GLN H 5.000 . 5.000 4.098 3.610 4.790 . 0 0 "[ . 1 . 2 ]" 1
621 1 43 PHE QD 1 66 GLN HA 5.000 . 5.000 3.400 2.380 4.344 . 0 0 "[ . 1 . 2 ]" 1
622 1 43 PHE QD 1 67 VAL H 5.000 . 5.000 3.245 2.528 4.132 . 0 0 "[ . 1 . 2 ]" 1
623 1 43 PHE QD 1 67 VAL HA 5.000 . 5.000 3.149 2.652 3.649 . 0 0 "[ . 1 . 2 ]" 1
624 1 43 PHE QD 1 67 VAL HB 6.000 . 6.000 3.645 2.773 5.552 . 0 0 "[ . 1 . 2 ]" 1
625 1 43 PHE QD 1 67 VAL QG 6.000 . 6.000 3.587 2.414 4.356 . 0 0 "[ . 1 . 2 ]" 1
626 1 43 PHE QD 1 68 ASN H 6.000 . 6.000 4.742 3.826 5.103 . 0 0 "[ . 1 . 2 ]" 1
627 1 43 PHE QE 1 66 GLN HA 6.000 . 6.000 4.765 3.772 5.971 . 0 0 "[ . 1 . 2 ]" 1
628 1 43 PHE QE 1 67 VAL H 6.000 . 6.000 3.918 3.119 4.832 . 0 0 "[ . 1 . 2 ]" 1
629 1 43 PHE QE 1 67 VAL HA 6.000 . 6.000 3.984 3.226 4.478 . 0 0 "[ . 1 . 2 ]" 1
630 1 43 PHE QE 1 67 VAL HB 5.000 . 5.000 3.108 2.348 5.049 0.049 15 0 "[ . 1 . 2 ]" 1
631 1 43 PHE QE 1 67 VAL QG . . 5.000 3.183 2.069 4.052 . 0 0 "[ . 1 . 2 ]" 1
632 1 44 HIS H 1 44 HIS HD2 6.000 . 6.000 4.316 1.863 4.948 . 0 0 "[ . 1 . 2 ]" 1
633 1 44 HIS H 1 66 GLN HB3 6.000 . 6.000 4.513 3.732 5.367 . 0 0 "[ . 1 . 2 ]" 1
634 1 44 HIS H 1 67 VAL HA 5.000 . 5.000 3.902 3.091 4.455 . 0 0 "[ . 1 . 2 ]" 1
635 1 44 HIS H 1 68 ASN H 6.000 . 6.000 4.162 3.540 4.923 . 0 0 "[ . 1 . 2 ]" 1
636 1 44 HIS HA 1 45 LEU H 2.700 . 2.700 2.154 2.121 2.229 . 0 0 "[ . 1 . 2 ]" 1
637 1 44 HIS HA 1 45 LEU HB2 6.000 . 6.000 4.413 4.268 4.528 . 0 0 "[ . 1 . 2 ]" 1
638 1 44 HIS HA 1 45 LEU HB3 6.000 . 6.000 4.636 4.492 4.858 . 0 0 "[ . 1 . 2 ]" 1
639 1 44 HIS QB 1 45 LEU H 3.300 . 3.300 3.040 2.699 3.166 . 0 0 "[ . 1 . 2 ]" 1
640 1 44 HIS HD2 1 45 LEU H 6.000 . 6.000 5.197 4.814 6.235 0.235 7 0 "[ . 1 . 2 ]" 1
641 1 44 HIS HD2 1 46 VAL QG 5.000 . 5.000 2.700 2.178 4.781 . 0 0 "[ . 1 . 2 ]" 1
642 1 44 HIS HE1 1 66 GLN HB3 6.000 . 6.000 3.287 2.089 4.671 . 0 0 "[ . 1 . 2 ]" 1
643 1 44 HIS HE1 1 66 GLN QG 5.000 . 5.000 3.599 2.223 5.005 0.005 21 0 "[ . 1 . 2 ]" 1
644 1 44 HIS HE1 1 68 ASN HA 5.000 . 5.000 3.079 2.137 4.781 . 0 0 "[ . 1 . 2 ]" 1
645 1 44 HIS HE1 1 68 ASN HA 5.000 . 5.000 3.121 2.138 4.959 . 0 0 "[ . 1 . 2 ]" 1
646 1 45 LEU H 1 45 LEU HB2 2.700 . 2.700 2.537 2.286 2.705 0.005 11 0 "[ . 1 . 2 ]" 1
647 1 45 LEU H 1 45 LEU HB3 2.700 . 2.700 2.497 2.353 2.701 0.001 1 0 "[ . 1 . 2 ]" 1
648 1 45 LEU H 1 45 LEU QD 5.000 . 5.000 3.671 3.565 3.756 . 0 0 "[ . 1 . 2 ]" 1
649 1 45 LEU H 1 45 LEU HG 5.000 . 5.000 4.492 4.321 4.629 . 0 0 "[ . 1 . 2 ]" 1
650 1 45 LEU HA 1 45 LEU QD . . 3.300 2.022 1.739 3.029 . 0 0 "[ . 1 . 2 ]" 1
651 1 45 LEU HA 1 46 VAL H 2.700 . 2.700 2.176 2.145 2.256 . 0 0 "[ . 1 . 2 ]" 1
652 1 45 LEU HA 1 46 VAL HB 6.000 . 6.000 4.645 4.339 4.716 . 0 0 "[ . 1 . 2 ]" 1
653 1 45 LEU HA 1 46 VAL QG 5.000 . 5.000 3.455 3.328 3.591 . 0 0 "[ . 1 . 2 ]" 1
654 1 45 LEU HA 1 65 CYS HA 5.000 . 5.000 2.697 2.137 3.208 . 0 0 "[ . 1 . 2 ]" 1
655 1 45 LEU HA 1 66 GLN H 5.000 . 5.000 3.784 3.452 4.046 . 0 0 "[ . 1 . 2 ]" 1
656 1 45 LEU HB2 1 46 VAL H 6.000 . 6.000 4.232 4.103 4.367 . 0 0 "[ . 1 . 2 ]" 1
657 1 45 LEU HB3 1 46 VAL H 5.000 . 5.000 4.129 3.913 4.285 . 0 0 "[ . 1 . 2 ]" 1
658 1 45 LEU QD 1 46 VAL H 5.000 . 5.000 2.194 1.842 2.491 . 0 0 "[ . 1 . 2 ]" 1
659 1 45 LEU QD 1 47 GLY H 6.000 . 6.000 2.625 1.613 3.555 . 0 0 "[ . 1 . 2 ]" 1
660 1 45 LEU QD 1 49 SER H 6.000 . 6.000 3.121 2.482 3.502 . 0 0 "[ . 1 . 2 ]" 1
661 1 45 LEU QD 1 49 SER HA 3.300 . 3.300 1.839 1.447 2.378 . 0 0 "[ . 1 . 2 ]" 1
662 1 45 LEU QD 1 49 SER QB 5.000 . 5.000 2.062 1.535 2.313 . 0 0 "[ . 1 . 2 ]" 1
663 1 45 LEU QD 1 63 PRO HB2 5.000 . 5.000 2.088 1.626 2.748 . 0 0 "[ . 1 . 2 ]" 1
664 1 45 LEU QD 1 63 PRO HB3 5.000 . 5.000 2.951 2.242 3.703 . 0 0 "[ . 1 . 2 ]" 1
665 1 45 LEU QD 1 63 PRO HD2 5.000 . 5.000 3.779 3.124 4.474 . 0 0 "[ . 1 . 2 ]" 1
666 1 45 LEU QD 1 63 PRO HD3 5.000 . 5.000 3.944 3.564 4.426 . 0 0 "[ . 1 . 2 ]" 1
667 1 45 LEU QD 1 63 PRO HG2 5.000 . 5.000 2.109 1.662 2.869 . 0 0 "[ . 1 . 2 ]" 1
668 1 45 LEU QD 1 63 PRO HG3 5.000 . 5.000 2.322 1.852 2.790 . 0 0 "[ . 1 . 2 ]" 1
669 1 45 LEU QD 1 64 HIS H 6.000 . 6.000 2.738 2.147 3.587 . 0 0 "[ . 1 . 2 ]" 1
670 1 45 LEU HG 1 46 VAL H 5.000 . 5.000 3.506 2.766 4.648 . 0 0 "[ . 1 . 2 ]" 1
671 1 45 LEU HG 1 63 PRO HB2 5.000 . 5.000 3.893 2.344 4.554 . 0 0 "[ . 1 . 2 ]" 1
672 1 45 LEU HG 1 63 PRO HB3 5.000 . 5.000 4.613 3.568 5.039 0.039 18 0 "[ . 1 . 2 ]" 1
673 1 46 VAL H 1 46 VAL HB 3.300 . 3.300 2.824 2.750 3.152 . 0 0 "[ . 1 . 2 ]" 1
674 1 46 VAL H 1 46 VAL QG . . 3.300 2.712 2.058 2.823 . 0 0 "[ . 1 . 2 ]" 1
675 1 46 VAL H 1 47 GLY H 6.000 . 6.000 3.297 3.136 3.471 . 0 0 "[ . 1 . 2 ]" 1
676 1 46 VAL H 1 48 SER H 6.000 . 6.000 5.973 5.711 6.070 0.070 10 0 "[ . 1 . 2 ]" 1
677 1 46 VAL H 1 63 PRO HB2 6.000 . 6.000 3.793 3.053 4.198 . 0 0 "[ . 1 . 2 ]" 1
678 1 46 VAL H 1 63 PRO HB3 6.000 . 6.000 5.040 4.351 5.374 . 0 0 "[ . 1 . 2 ]" 1
679 1 46 VAL H 1 64 HIS H 5.000 . 5.000 3.638 3.249 3.840 . 0 0 "[ . 1 . 2 ]" 1
680 1 46 VAL H 1 65 CYS HA 5.000 . 5.000 3.604 2.911 4.207 . 0 0 "[ . 1 . 2 ]" 1
681 1 46 VAL HA 1 46 VAL QG 3.300 . 3.300 2.122 2.041 2.324 . 0 0 "[ . 1 . 2 ]" 1
682 1 46 VAL HA 1 47 GLY H 2.700 . 2.700 2.518 2.429 2.645 . 0 0 "[ . 1 . 2 ]" 1
683 1 46 VAL HA 1 47 GLY HA3 5.000 . 5.000 4.624 4.581 4.678 . 0 0 "[ . 1 . 2 ]" 1
684 1 46 VAL HB 1 47 GLY H 5.000 . 5.000 4.456 4.403 4.723 . 0 0 "[ . 1 . 2 ]" 1
685 1 46 VAL HB 1 64 HIS H 5.000 . 5.000 5.085 5.012 5.237 0.237 9 0 "[ . 1 . 2 ]" 1
686 1 46 VAL HB 1 64 HIS HE1 6.000 . 6.000 4.039 3.315 5.486 . 0 0 "[ . 1 . 2 ]" 1
687 1 46 VAL QG 1 47 GLY H 5.000 . 5.000 3.577 3.509 3.666 . 0 0 "[ . 1 . 2 ]" 1
688 1 46 VAL QG 1 47 GLY HA3 5.000 . 5.000 4.298 3.672 4.468 . 0 0 "[ . 1 . 2 ]" 1
689 1 46 VAL QG 1 64 HIS HD2 6.000 . 6.000 5.061 3.415 5.510 . 0 0 "[ . 1 . 2 ]" 1
690 1 46 VAL QG 1 64 HIS HE1 5.000 . 5.000 3.818 2.518 4.565 . 0 0 "[ . 1 . 2 ]" 1
691 1 46 VAL QG 1 66 GLN H 5.000 . 5.000 3.630 3.097 4.080 . 0 0 "[ . 1 . 2 ]" 1
692 1 46 VAL QG 1 66 GLN HB2 5.000 . 5.000 3.554 2.804 4.700 . 0 0 "[ . 1 . 2 ]" 1
693 1 46 VAL QG 1 66 GLN HB3 5.000 . 5.000 3.462 2.354 4.860 . 0 0 "[ . 1 . 2 ]" 1
694 1 46 VAL QG 1 66 GLN HE21 6.000 . 6.000 4.031 1.489 5.273 . 0 0 "[ . 1 . 2 ]" 1
695 1 46 VAL QG 1 66 GLN HE22 6.000 . 6.000 4.166 1.689 5.395 . 0 0 "[ . 1 . 2 ]" 1
696 1 46 VAL QG 1 66 GLN QG 5.000 . 5.000 3.982 2.940 4.919 . 0 0 "[ . 1 . 2 ]" 1
697 1 47 GLY H 1 47 GLY HA3 2.700 . 2.700 2.805 2.756 2.868 0.168 9 0 "[ . 1 . 2 ]" 1
698 1 47 GLY H 1 48 SER H 6.000 . 6.000 4.030 3.835 4.088 . 0 0 "[ . 1 . 2 ]" 1
699 1 47 GLY H 1 49 SER QB 3.300 . 3.300 3.426 3.349 3.524 0.224 9 0 "[ . 1 . 2 ]" 1
700 1 47 GLY HA2 1 48 SER H 5.000 . 5.000 3.113 3.054 3.195 . 0 0 "[ . 1 . 2 ]" 1
701 1 47 GLY HA2 1 63 PRO HB2 5.000 . 5.000 4.551 4.237 4.931 . 0 0 "[ . 1 . 2 ]" 1
702 1 47 GLY HA2 1 63 PRO HB3 6.000 . 6.000 3.826 3.228 4.243 . 0 0 "[ . 1 . 2 ]" 1
703 1 47 GLY HA2 1 64 HIS H 5.000 . 5.000 5.198 4.832 5.969 0.969 12 2 "[ . -1 + . 2 ]" 1
704 1 47 GLY HA3 1 48 SER H 3.300 . 3.300 2.138 2.108 2.156 . 0 0 "[ . 1 . 2 ]" 1
705 1 47 GLY HA3 1 63 PRO HA 6.000 . 6.000 3.408 2.629 3.891 . 0 0 "[ . 1 . 2 ]" 1
706 1 47 GLY HA3 1 63 PRO HB2 5.000 . 5.000 2.867 2.522 3.251 . 0 0 "[ . 1 . 2 ]" 1
707 1 47 GLY HA3 1 63 PRO HB3 6.000 . 6.000 2.269 1.477 2.702 . 0 0 "[ . 1 . 2 ]" 1
708 1 48 SER H 1 48 SER HB2 3.300 . 3.300 2.828 2.396 3.566 0.266 17 0 "[ . 1 . 2 ]" 1
709 1 48 SER H 1 48 SER HB3 3.300 . 3.300 2.954 2.392 3.565 0.265 16 0 "[ . 1 . 2 ]" 1
710 1 48 SER H 1 60 THR MG 6.000 . 6.000 5.449 4.091 6.075 0.075 24 0 "[ . 1 . 2 ]" 1
711 1 48 SER H 1 60 THR MG 5.000 . 5.000 1.624 1.411 2.140 . 0 0 "[ . 1 . 2 ]" 1
712 1 48 SER H 1 63 PRO HB2 5.000 . 5.000 3.275 3.080 3.882 . 0 0 "[ . 1 . 2 ]" 1
713 1 48 SER H 1 63 PRO HB3 6.000 . 6.000 1.635 1.413 2.194 . 0 0 "[ . 1 . 2 ]" 1
714 1 48 SER HA 1 49 SER H 2.700 . 2.700 2.558 2.482 2.633 . 0 0 "[ . 1 . 2 ]" 1
715 1 48 SER HA 1 63 PRO HG3 6.000 . 6.000 2.875 2.270 3.462 . 0 0 "[ . 1 . 2 ]" 1
716 1 48 SER HB2 1 49 SER H 6.000 . 6.000 4.448 4.327 4.660 . 0 0 "[ . 1 . 2 ]" 1
717 1 48 SER HB2 1 50 ARG H 5.000 . 5.000 3.136 2.530 3.581 . 0 0 "[ . 1 . 2 ]" 1
718 1 48 SER HB2 1 50 ARG H 6.000 . 6.000 4.699 3.462 5.378 . 0 0 "[ . 1 . 2 ]" 1
719 1 48 SER HB2 1 60 THR HB 5.000 . 5.000 3.067 1.952 4.342 . 0 0 "[ . 1 . 2 ]" 1
720 1 48 SER HB2 1 60 THR MG 5.000 . 5.000 3.834 1.894 4.941 . 0 0 "[ . 1 . 2 ]" 1
721 1 48 SER HB3 1 49 SER H 5.000 . 5.000 4.470 4.322 4.645 . 0 0 "[ . 1 . 2 ]" 1
722 1 48 SER HB3 1 50 ARG H 5.000 . 5.000 4.642 3.501 5.584 0.584 21 1 "[ . 1 . 2+ ]" 1
723 1 48 SER HB3 1 60 THR MG 5.000 . 5.000 3.688 2.980 5.034 0.034 15 0 "[ . 1 . 2 ]" 1
724 1 49 SER H 1 49 SER QB . . 3.300 2.309 2.225 2.387 . 0 0 "[ . 1 . 2 ]" 1
725 1 49 SER H 1 50 ARG H 3.300 . 3.300 2.771 2.585 2.917 . 0 0 "[ . 1 . 2 ]" 1
726 1 49 SER HA 1 50 ARG H 5.000 . 5.000 3.463 3.286 3.552 . 0 0 "[ . 1 . 2 ]" 1
727 1 49 SER QB 1 50 ARG H 6.000 . 6.000 3.274 2.535 3.805 . 0 0 "[ . 1 . 2 ]" 1
728 1 50 ARG H 1 51 SER H 5.000 . 5.000 4.382 4.195 4.525 . 0 0 "[ . 1 . 2 ]" 1
729 1 50 ARG H 1 60 THR MG 6.000 . 6.000 4.483 3.218 5.309 . 0 0 "[ . 1 . 2 ]" 1
730 1 50 ARG HA 1 50 ARG QD 5.000 . 5.000 3.913 1.988 4.517 . 0 0 "[ . 1 . 2 ]" 1
731 1 50 ARG HA 1 51 SER H 2.700 . 2.700 2.191 2.164 2.220 . 0 0 "[ . 1 . 2 ]" 1
732 1 50 ARG HB2 1 51 SER H 5.000 . 5.000 3.715 2.995 4.274 . 0 0 "[ . 1 . 2 ]" 1
733 1 50 ARG HB3 1 51 SER H 5.000 . 5.000 3.740 3.048 4.185 . 0 0 "[ . 1 . 2 ]" 1
734 1 50 ARG HG3 1 51 SER H 5.000 . 5.000 4.323 2.663 5.226 0.226 17 0 "[ . 1 . 2 ]" 1
735 1 51 SER HA 1 52 VAL H 2.700 . 2.700 2.178 2.138 2.313 . 0 0 "[ . 1 . 2 ]" 1
736 1 51 SER HA 1 52 VAL QG 6.000 . 6.000 3.623 3.466 3.811 . 0 0 "[ . 1 . 2 ]" 1
737 1 51 SER HA 1 58 TRP HB3 6.000 . 6.000 4.384 3.780 4.588 . 0 0 "[ . 1 . 2 ]" 1
738 1 51 SER HA 1 58 TRP HB2 6.000 . 6.000 5.914 5.233 6.100 0.100 13 0 "[ . 1 . 2 ]" 1
739 1 51 SER HA 1 59 SER H 5.000 . 5.000 4.208 3.418 4.652 . 0 0 "[ . 1 . 2 ]" 1
740 1 51 SER HA 1 60 THR H 2.700 . 2.700 2.890 2.805 3.038 0.338 1 0 "[ . 1 . 2 ]" 1
741 1 51 SER HA 1 60 THR MG 5.000 . 5.000 3.165 1.963 3.776 . 0 0 "[ . 1 . 2 ]" 1
742 1 51 SER QB 1 52 VAL H 5.000 . 5.000 3.367 2.649 3.970 . 0 0 "[ . 1 . 2 ]" 1
743 1 51 SER QB 1 58 TRP HE3 5.000 . 5.000 2.589 1.867 3.404 . 0 0 "[ . 1 . 2 ]" 1
744 1 51 SER QB 1 59 SER H 6.000 . 6.000 4.052 2.949 4.898 . 0 0 "[ . 1 . 2 ]" 1
745 1 51 SER QB 1 60 THR H 5.000 . 5.000 3.266 2.468 3.745 . 0 0 "[ . 1 . 2 ]" 1
746 1 51 SER QB 1 60 THR MG 6.000 . 6.000 4.106 2.003 4.779 . 0 0 "[ . 1 . 2 ]" 1
747 1 51 SER HB2 1 52 VAL H 5.000 . 5.000 4.027 2.979 4.473 . 0 0 "[ . 1 . 2 ]" 1
748 1 51 SER HB2 1 58 TRP HB3 6.000 . 6.000 3.544 2.097 4.220 . 0 0 "[ . 1 . 2 ]" 1
749 1 51 SER HB2 1 58 TRP HE3 5.000 . 5.000 3.332 2.160 4.653 . 0 0 "[ . 1 . 2 ]" 1
750 1 51 SER HB2 1 60 THR MG 6.000 . 6.000 4.697 2.016 5.901 . 0 0 "[ . 1 . 2 ]" 1
751 1 51 SER HB3 1 58 TRP HE3 5.000 . 5.000 2.921 1.925 4.217 . 0 0 "[ . 1 . 2 ]" 1
752 1 51 SER HB3 1 60 THR MG 6.000 . 6.000 4.833 2.890 6.019 0.019 2 0 "[ . 1 . 2 ]" 1
753 1 52 VAL H 1 52 VAL HB 3.300 . 3.300 2.731 2.510 3.354 0.054 12 0 "[ . 1 . 2 ]" 1
754 1 52 VAL H 1 58 TRP HE3 5.000 . 5.000 4.042 2.962 4.922 . 0 0 "[ . 1 . 2 ]" 1
755 1 52 VAL H 1 59 SER H 3.300 . 3.300 2.914 2.128 3.379 0.079 1 0 "[ . 1 . 2 ]" 1
756 1 52 VAL H 1 59 SER QB 3.300 . 3.300 2.194 1.692 3.159 . 0 0 "[ . 1 . 2 ]" 1
757 1 52 VAL H 1 60 THR H 5.000 . 5.000 3.196 2.908 3.801 . 0 0 "[ . 1 . 2 ]" 1
758 1 52 VAL HA 1 52 VAL QG 3.300 . 3.300 2.162 2.045 2.361 . 0 0 "[ . 1 . 2 ]" 1
759 1 52 VAL HA 1 53 CYS H 2.700 . 2.700 2.148 2.113 2.173 . 0 0 "[ . 1 . 2 ]" 1
760 1 52 VAL HA 1 53 CYS QB 5.000 . 5.000 4.184 4.030 4.476 . 0 0 "[ . 1 . 2 ]" 1
761 1 52 VAL HA 1 58 TRP HE3 6.000 . 6.000 3.925 2.579 4.503 . 0 0 "[ . 1 . 2 ]" 1
762 1 52 VAL HA 1 58 TRP HZ3 5.000 . 5.000 4.215 2.877 5.007 0.007 21 0 "[ . 1 . 2 ]" 1
763 1 52 VAL HB 1 53 CYS H 5.000 . 5.000 4.218 4.117 4.325 . 0 0 "[ . 1 . 2 ]" 1
764 1 52 VAL HB 1 54 SER H 6.000 . 6.000 4.543 3.748 5.097 . 0 0 "[ . 1 . 2 ]" 1
765 1 52 VAL HB 1 54 SER HB2 6.000 . 6.000 4.860 4.027 5.982 . 0 0 "[ . 1 . 2 ]" 1
766 1 52 VAL HB 1 54 SER HB3 6.000 . 6.000 4.734 3.749 5.616 . 0 0 "[ . 1 . 2 ]" 1
767 1 52 VAL HB 1 59 SER H 6.000 . 6.000 4.364 3.598 5.676 . 0 0 "[ . 1 . 2 ]" 1
768 1 52 VAL HB 1 59 SER QB 5.000 . 5.000 3.165 1.886 4.697 . 0 0 "[ . 1 . 2 ]" 1
769 1 52 VAL QG 1 53 CYS H . . 3.300 2.563 2.308 2.867 . 0 0 "[ . 1 . 2 ]" 1
770 1 52 VAL QG 1 54 SER H 6.000 . 6.000 4.604 4.286 4.906 . 0 0 "[ . 1 . 2 ]" 1
771 1 52 VAL QG 1 54 SER HB2 . . 5.000 4.035 3.056 4.972 . 0 0 "[ . 1 . 2 ]" 1
772 1 52 VAL QG 1 54 SER HB3 5.000 . 5.000 3.916 2.980 4.900 . 0 0 "[ . 1 . 2 ]" 1
773 1 52 VAL QG 1 59 SER H 6.000 . 6.000 3.928 3.081 4.561 . 0 0 "[ . 1 . 2 ]" 1
774 1 52 VAL QG 1 59 SER QB 5.000 . 5.000 2.980 1.645 3.934 . 0 0 "[ . 1 . 2 ]" 1
775 1 53 CYS H 1 53 CYS QB 3.300 . 3.300 2.297 2.171 2.503 . 0 0 "[ . 1 . 2 ]" 1
776 1 53 CYS H 1 58 TRP HE3 6.000 . 6.000 3.776 2.736 4.463 . 0 0 "[ . 1 . 2 ]" 1
777 1 53 CYS H 1 58 TRP HZ3 5.000 . 5.000 3.884 2.517 4.832 . 0 0 "[ . 1 . 2 ]" 1
778 1 53 CYS HA 1 54 SER H 2.700 . 2.700 2.238 2.142 2.511 . 0 0 "[ . 1 . 2 ]" 1
779 1 53 CYS HA 1 54 SER HB2 6.000 . 6.000 4.476 3.816 5.450 . 0 0 "[ . 1 . 2 ]" 1
780 1 53 CYS HA 1 57 GLN QG 6.000 . 6.000 4.631 3.973 5.927 . 0 0 "[ . 1 . 2 ]" 1
781 1 53 CYS HA 1 58 TRP HA 3.300 . 3.300 2.418 1.635 3.099 . 0 0 "[ . 1 . 2 ]" 1
782 1 53 CYS HA 1 58 TRP HB3 6.000 . 6.000 3.857 3.469 4.133 . 0 0 "[ . 1 . 2 ]" 1
783 1 53 CYS HA 1 58 TRP HE3 5.000 . 5.000 3.863 3.057 4.887 . 0 0 "[ . 1 . 2 ]" 1
784 1 53 CYS HA 1 59 SER H 5.000 . 5.000 3.413 2.956 3.958 . 0 0 "[ . 1 . 2 ]" 1
785 1 53 CYS QB 1 54 SER H 6.000 . 6.000 3.185 2.103 3.803 . 0 0 "[ . 1 . 2 ]" 1
786 1 53 CYS QB 1 58 TRP HE3 6.000 . 6.000 4.019 2.689 5.056 . 0 0 "[ . 1 . 2 ]" 1
787 1 54 SER H 1 57 GLN H 3.300 . 3.300 2.803 2.353 3.363 0.063 4 0 "[ . 1 . 2 ]" 1
788 1 54 SER H 1 58 TRP HA 5.000 . 5.000 3.797 3.219 4.904 . 0 0 "[ . 1 . 2 ]" 1
789 1 54 SER HA 1 55 GLN H 3.300 . 3.300 2.491 2.148 3.461 0.161 12 0 "[ . 1 . 2 ]" 1
790 1 54 SER HA 1 56 GLY H 6.000 . 6.000 3.995 3.622 4.926 . 0 0 "[ . 1 . 2 ]" 1
791 1 54 SER HB2 1 55 GLN H 6.000 . 6.000 3.885 1.949 4.550 . 0 0 "[ . 1 . 2 ]" 1
792 1 54 SER HB3 1 55 GLN H 6.000 . 6.000 4.028 2.864 4.608 . 0 0 "[ . 1 . 2 ]" 1
793 1 55 GLN H 1 55 GLN HG2 5.000 . 5.000 3.901 2.858 5.237 0.237 4 0 "[ . 1 . 2 ]" 1
794 1 55 GLN H 1 55 GLN QG 5.000 . 5.000 3.274 2.695 4.346 . 0 0 "[ . 1 . 2 ]" 1
795 1 55 GLN H 1 55 GLN HG3 5.000 . 5.000 3.712 2.821 4.643 . 0 0 "[ . 1 . 2 ]" 1
796 1 55 GLN H 1 56 GLY H 5.000 . 5.000 2.611 1.830 3.538 . 0 0 "[ . 1 . 2 ]" 1
797 1 55 GLN HA 1 56 GLY H 5.000 . 5.000 2.757 2.581 2.873 . 0 0 "[ . 1 . 2 ]" 1
798 1 55 GLN HB2 1 55 GLN HG2 2.700 . 2.700 2.846 2.432 3.011 0.311 20 0 "[ . 1 . 2 ]" 1
799 1 56 GLY H 1 57 GLN H 3.300 . 3.300 2.693 2.455 2.811 . 0 0 "[ . 1 . 2 ]" 1
800 1 56 GLY QA 1 57 GLN H 5.000 . 5.000 2.866 2.794 2.917 . 0 0 "[ . 1 . 2 ]" 1
801 1 57 GLN H 1 57 GLN QG 5.000 . 5.000 3.413 2.315 4.213 . 0 0 "[ . 1 . 2 ]" 1
802 1 57 GLN H 1 58 TRP H 6.000 . 6.000 4.279 4.217 4.329 . 0 0 "[ . 1 . 2 ]" 1
803 1 57 GLN HA 1 58 TRP H 2.700 . 2.700 2.189 2.163 2.215 . 0 0 "[ . 1 . 2 ]" 1
804 1 57 GLN HA 1 58 TRP HB2 6.000 . 6.000 4.749 4.638 4.865 . 0 0 "[ . 1 . 2 ]" 1
805 1 57 GLN HA 1 58 TRP HB3 6.000 . 6.000 5.719 5.689 5.749 . 0 0 "[ . 1 . 2 ]" 1
806 1 57 GLN HB2 1 58 TRP H 5.000 . 5.000 3.914 3.035 4.251 . 0 0 "[ . 1 . 2 ]" 1
807 1 57 GLN HB3 1 58 TRP H 5.000 . 5.000 3.843 3.078 4.212 . 0 0 "[ . 1 . 2 ]" 1
808 1 57 GLN QG 1 58 TRP H 6.000 . 6.000 3.521 2.476 4.587 . 0 0 "[ . 1 . 2 ]" 1
809 1 58 TRP H 1 58 TRP HB2 2.700 . 2.700 2.571 2.468 2.657 . 0 0 "[ . 1 . 2 ]" 1
810 1 58 TRP H 1 58 TRP HD1 5.000 . 5.000 2.366 2.032 2.909 . 0 0 "[ . 1 . 2 ]" 1
811 1 58 TRP HA 1 58 TRP HE3 5.000 . 5.000 3.115 2.596 3.475 . 0 0 "[ . 1 . 2 ]" 1
812 1 58 TRP HA 1 59 SER H 2.700 . 2.700 2.195 2.163 2.279 . 0 0 "[ . 1 . 2 ]" 1
813 1 58 TRP HB2 1 59 SER H 5.000 . 5.000 3.994 3.801 4.123 . 0 0 "[ . 1 . 2 ]" 1
814 1 58 TRP HB2 1 60 THR H 5.000 . 5.000 4.280 3.886 4.529 . 0 0 "[ . 1 . 2 ]" 1
815 1 58 TRP HB3 1 59 SER H 5.000 . 5.000 3.026 2.755 3.184 . 0 0 "[ . 1 . 2 ]" 1
816 1 58 TRP HB3 1 60 THR H 5.000 . 5.000 3.410 3.048 3.668 . 0 0 "[ . 1 . 2 ]" 1
817 1 58 TRP HE3 1 59 SER H 5.000 . 5.000 3.829 3.263 4.255 . 0 0 "[ . 1 . 2 ]" 1
818 1 59 SER H 1 60 THR H 5.000 . 5.000 2.896 2.785 2.991 . 0 0 "[ . 1 . 2 ]" 1
819 1 59 SER H 1 60 THR MG 6.000 . 6.000 4.748 4.257 5.032 . 0 0 "[ . 1 . 2 ]" 1
820 1 59 SER HA 1 60 THR H 5.000 . 5.000 3.577 3.557 3.594 . 0 0 "[ . 1 . 2 ]" 1
821 1 59 SER QB 1 60 THR H 5.000 . 5.000 2.320 2.151 3.100 . 0 0 "[ . 1 . 2 ]" 1
822 1 59 SER QB 1 60 THR MG 5.000 . 5.000 2.960 2.681 3.834 . 0 0 "[ . 1 . 2 ]" 1
823 1 60 THR HA 1 60 THR MG 3.300 . 3.300 2.450 2.178 3.197 . 0 0 "[ . 1 . 2 ]" 1
824 1 60 THR HA 1 61 PRO HD2 3.300 . 3.300 2.453 2.089 2.756 . 0 0 "[ . 1 . 2 ]" 1
825 1 60 THR HA 1 61 PRO HD3 2.700 . 2.700 2.088 1.772 2.468 . 0 0 "[ . 1 . 2 ]" 1
826 1 60 THR HA 1 61 PRO HG2 6.000 . 6.000 4.380 4.275 4.444 . 0 0 "[ . 1 . 2 ]" 1
827 1 60 THR HA 1 61 PRO HG3 6.000 . 6.000 4.206 3.905 4.502 . 0 0 "[ . 1 . 2 ]" 1
828 1 60 THR HB 1 61 PRO HD2 3.300 . 3.300 2.876 2.244 3.367 0.067 1 0 "[ . 1 . 2 ]" 1
829 1 60 THR HB 1 61 PRO HD3 5.000 . 5.000 3.818 3.477 4.522 . 0 0 "[ . 1 . 2 ]" 1
830 1 60 THR MG 1 61 PRO HD2 5.000 . 5.000 3.689 3.210 4.053 . 0 0 "[ . 1 . 2 ]" 1
831 1 60 THR MG 1 61 PRO HD3 5.000 . 5.000 3.991 3.504 4.879 . 0 0 "[ . 1 . 2 ]" 1
832 1 61 PRO HA 1 62 LYS H 2.700 . 2.700 2.359 2.140 2.899 0.199 6 0 "[ . 1 . 2 ]" 1
833 1 61 PRO HB2 1 62 LYS H 5.000 . 5.000 3.094 1.560 3.749 . 0 0 "[ . 1 . 2 ]" 1
834 1 61 PRO HB3 1 62 LYS H 5.000 . 5.000 3.291 2.430 3.894 . 0 0 "[ . 1 . 2 ]" 1
835 1 62 LYS H 1 62 LYS HB2 3.300 . 3.300 2.482 2.184 3.036 . 0 0 "[ . 1 . 2 ]" 1
836 1 62 LYS HA 1 63 PRO HD2 3.300 . 3.300 2.263 2.064 2.511 . 0 0 "[ . 1 . 2 ]" 1
837 1 62 LYS HA 1 63 PRO HD3 3.300 . 3.300 2.199 1.994 2.370 . 0 0 "[ . 1 . 2 ]" 1
838 1 62 LYS HA 1 63 PRO HG2 6.000 . 6.000 4.385 4.255 4.510 . 0 0 "[ . 1 . 2 ]" 1
839 1 62 LYS HA 1 63 PRO HG3 5.000 . 5.000 4.344 4.238 4.390 . 0 0 "[ . 1 . 2 ]" 1
840 1 62 LYS QG 1 63 PRO HD2 5.000 . 5.000 2.744 2.009 4.341 . 0 0 "[ . 1 . 2 ]" 1
841 1 62 LYS QG 1 63 PRO HD3 6.000 . 6.000 3.814 3.169 4.862 . 0 0 "[ . 1 . 2 ]" 1
842 1 63 PRO HA 1 64 HIS H 5.000 . 5.000 2.890 2.752 3.029 . 0 0 "[ . 1 . 2 ]" 1
843 1 63 PRO HB2 1 64 HIS H 5.000 . 5.000 1.626 1.495 1.818 . 0 0 "[ . 1 . 2 ]" 1
844 1 63 PRO HB3 1 64 HIS H 3.300 . 3.300 3.118 3.061 3.169 . 0 0 "[ . 1 . 2 ]" 1
845 1 63 PRO HG2 1 64 HIS H 6.000 . 6.000 3.332 2.954 3.717 . 0 0 "[ . 1 . 2 ]" 1
846 1 64 HIS HA 1 65 CYS H 2.700 . 2.700 2.284 2.169 2.945 0.245 12 0 "[ . 1 . 2 ]" 1
847 1 64 HIS QB 1 65 CYS H 3.300 . 3.300 2.752 1.658 3.055 . 0 0 "[ . 1 . 2 ]" 1
848 1 64 HIS HD2 1 66 GLN HA 6.000 . 6.000 4.791 3.982 5.687 . 0 0 "[ . 1 . 2 ]" 1
849 1 64 HIS HD2 1 66 GLN HB2 6.000 . 6.000 4.109 3.348 5.714 . 0 0 "[ . 1 . 2 ]" 1
850 1 64 HIS HD2 1 66 GLN HB3 6.000 . 6.000 5.242 4.762 5.927 . 0 0 "[ . 1 . 2 ]" 1
851 1 64 HIS HD2 1 66 GLN QG 6.000 . 6.000 4.319 2.229 5.526 . 0 0 "[ . 1 . 2 ]" 1
852 1 65 CYS H 1 65 CYS HB2 3.300 . 3.300 2.455 2.318 2.693 . 0 0 "[ . 1 . 2 ]" 1
853 1 65 CYS H 1 66 GLN H 6.000 . 6.000 4.495 4.340 4.544 . 0 0 "[ . 1 . 2 ]" 1
854 1 65 CYS HA 1 66 GLN H 2.700 . 2.700 2.181 2.158 2.216 . 0 0 "[ . 1 . 2 ]" 1
855 1 65 CYS HB2 1 66 GLN H 6.000 . 6.000 4.164 4.066 4.302 . 0 0 "[ . 1 . 2 ]" 1
856 1 65 CYS HB3 1 66 GLN H 5.000 . 5.000 3.151 2.926 3.341 . 0 0 "[ . 1 . 2 ]" 1
857 1 66 GLN H 1 66 GLN HB3 3.300 . 3.300 2.962 2.489 3.799 0.499 21 0 "[ . 1 . 2 ]" 1
858 1 66 GLN HA 1 67 VAL H 2.700 . 2.700 2.181 2.153 2.212 . 0 0 "[ . 1 . 2 ]" 1
859 1 66 GLN HA 1 67 VAL HA 6.000 . 6.000 4.336 4.299 4.360 . 0 0 "[ . 1 . 2 ]" 1
860 1 66 GLN HA 1 67 VAL HB 5.000 . 5.000 4.600 4.549 4.889 . 0 0 "[ . 1 . 2 ]" 1
861 1 66 GLN HA 1 67 VAL QG 5.000 . 5.000 3.712 3.142 3.876 . 0 0 "[ . 1 . 2 ]" 1
862 1 66 GLN HB2 1 67 VAL H 5.000 . 5.000 4.119 3.995 4.344 . 0 0 "[ . 1 . 2 ]" 1
863 1 66 GLN HB3 1 67 VAL H 5.000 . 5.000 3.777 2.874 4.168 . 0 0 "[ . 1 . 2 ]" 1
864 1 66 GLN HE21 1 67 VAL QG 6.000 . 6.000 4.754 2.437 6.049 0.049 21 0 "[ . 1 . 2 ]" 1
865 1 66 GLN QG 1 67 VAL H 5.000 . 5.000 3.158 2.376 4.517 . 0 0 "[ . 1 . 2 ]" 1
866 1 66 GLN QG 1 67 VAL QG 5.000 . 5.000 3.637 2.666 5.079 0.079 15 0 "[ . 1 . 2 ]" 1
867 1 67 VAL H 1 67 VAL HB 2.700 . 2.700 2.606 2.542 2.711 0.011 15 0 "[ . 1 . 2 ]" 1
868 1 67 VAL H 1 67 VAL QG 3.300 . 3.300 2.053 1.697 2.255 . 0 0 "[ . 1 . 2 ]" 1
869 1 67 VAL H 1 68 ASN H 5.000 . 5.000 4.595 4.535 4.624 . 0 0 "[ . 1 . 2 ]" 1
870 1 67 VAL HA 1 67 VAL QG . . 3.300 2.277 2.129 2.378 . 0 0 "[ . 1 . 2 ]" 1
871 1 67 VAL HA 1 68 ASN H 2.700 . 2.700 2.195 2.144 2.234 . 0 0 "[ . 1 . 2 ]" 1
872 1 67 VAL HB 1 68 ASN H 5.000 . 5.000 4.081 3.904 4.200 . 0 0 "[ . 1 . 2 ]" 1
873 1 67 VAL QG 1 68 ASN H 5.000 . 5.000 2.236 1.990 2.480 . 0 0 "[ . 1 . 2 ]" 1
874 1 68 ASN H 1 68 ASN HB3 3.300 . 3.300 3.100 2.518 3.991 0.691 8 1 "[ . + 1 . 2 ]" 1
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