NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454854 |
3mef   |
4296 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_3mef
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 571
_Distance_constraint_stats_list.Viol_count 860
_Distance_constraint_stats_list.Viol_total 2693.045
_Distance_constraint_stats_list.Viol_max 1.663
_Distance_constraint_stats_list.Viol_rms 0.0883
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0184
_Distance_constraint_stats_list.Viol_average_violations_only 0.1957
_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 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 3 LYS 0.045 0.016 7 0 "[ . 1 . ]"
1 4 MET 7.406 0.533 15 1 "[ . 1 + ]"
1 5 THR 0.024 0.021 9 0 "[ . 1 . ]"
1 6 GLY 9.643 0.354 8 0 "[ . 1 . ]"
1 7 ILE 19.816 1.040 15 13 "[ * ****-*1****+*]"
1 8 VAL 24.475 0.776 15 16 [-*************+*]
1 9 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 10 TRP 21.562 0.824 5 16 [*-**+***********]
1 11 PHE 1.512 0.280 16 0 "[ . 1 . ]"
1 12 ASN 14.883 1.663 7 6 "[ .*+* 1* -* ]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 14 ASP 0.191 0.052 8 0 "[ . 1 . ]"
1 15 LYS 0.138 0.052 8 0 "[ . 1 . ]"
1 16 GLY 0.000 0.000 5 0 "[ . 1 . ]"
1 17 PHE 16.917 1.663 7 6 "[ .*+* 1* -* ]"
1 18 GLY 10.758 0.466 14 0 "[ . 1 . ]"
1 19 PHE 21.472 0.824 5 16 [*-**+***********]
1 20 ILE 17.634 0.788 11 10 "[** *.- * *+ ***]"
1 21 THR 20.131 1.040 15 13 "[ * ****-*1****+*]"
1 22 PRO 0.183 0.083 8 0 "[ . 1 . ]"
1 23 ASP 0.065 0.026 7 0 "[ . 1 . ]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 25 GLY 0.236 0.127 11 0 "[ . 1 . ]"
1 26 SER 0.492 0.127 11 0 "[ . 1 . ]"
1 27 LYS 0.106 0.082 8 0 "[ . 1 . ]"
1 28 ASP 0.140 0.083 8 0 "[ . 1 . ]"
1 29 VAL 17.417 0.788 11 10 "[** *.- * *+ ***]"
1 30 PHE 1.751 0.203 16 0 "[ . 1 . ]"
1 31 VAL 9.279 0.466 14 0 "[ . 1 . ]"
1 32 HIS 0.000 0.000 3 0 "[ . 1 . ]"
1 33 PHE 1.524 0.236 12 0 "[ . 1 . ]"
1 34 SER 0.374 0.237 10 0 "[ . 1 . ]"
1 35 ALA 1.601 0.268 16 0 "[ . 1 . ]"
1 36 ILE 1.046 0.237 10 0 "[ . 1 . ]"
1 37 GLN 3.473 0.268 16 0 "[ . 1 . ]"
1 38 ASN 0.191 0.084 6 0 "[ . 1 . ]"
1 39 ASP 0.115 0.084 6 0 "[ . 1 . ]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 41 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 42 LYS 0.849 0.205 6 0 "[ . 1 . ]"
1 43 SER 0.849 0.205 6 0 "[ . 1 . ]"
1 44 LEU 0.082 0.057 2 0 "[ . 1 . ]"
1 45 ASP 0.474 0.159 8 0 "[ . 1 . ]"
1 46 GLU 0.354 0.062 9 0 "[ . 1 . ]"
1 47 GLY 0.151 0.090 8 0 "[ . 1 . ]"
1 48 GLN 25.125 0.776 15 16 [-*************+*]
1 49 LYS 6.320 0.371 3 0 "[ . 1 . ]"
1 50 VAL 10.372 0.354 8 0 "[ . 1 . ]"
1 51 SER 6.388 0.331 13 0 "[ . 1 . ]"
1 52 PHE 9.091 0.612 15 1 "[ . 1 + ]"
1 53 THR 0.852 0.180 9 0 "[ . 1 . ]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 55 GLU 11.904 1.218 7 5 "[* -.*+ 1 * . ]"
1 56 SER 0.077 0.067 3 0 "[ . 1 . ]"
1 57 GLY 0.035 0.023 10 0 "[ . 1 . ]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 59 LYS 0.008 0.006 1 0 "[ . 1 . ]"
1 60 GLY 0.035 0.023 10 0 "[ . 1 . ]"
1 61 PRO 0.067 0.067 3 0 "[ . 1 . ]"
1 62 ALA 13.170 1.218 7 5 "[* -.*+ 1 * . ]"
1 63 ALA 0.367 0.153 5 0 "[ . 1 . ]"
1 64 GLY 0.096 0.062 1 0 "[ . 1 . ]"
1 65 ASN 1.190 0.180 9 0 "[ . 1 . ]"
1 66 VAL 1.336 0.201 11 0 "[ . 1 . ]"
1 67 THR 9.439 0.612 15 1 "[ . 1 + ]"
1 68 SER 4.213 0.216 16 0 "[ . 1 . ]"
1 69 LEU 7.065 0.371 3 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLY QA 1 3 LYS H . . 4.600 2.429 2.174 2.781 . 0 0 "[ . 1 . ]" 1
2 1 3 LYS HA 1 4 MET H . . 3.000 2.553 2.394 2.977 . 0 0 "[ . 1 . ]" 1
3 1 3 LYS QB 1 51 SER QB . . 7.000 3.121 2.062 3.845 . 0 0 "[ . 1 . ]" 1
4 1 3 LYS QB 1 52 PHE H . . 6.000 4.017 3.193 4.859 . 0 0 "[ . 1 . ]" 1
5 1 3 LYS HB2 1 4 MET H . . 4.000 3.655 2.216 4.016 0.016 7 0 "[ . 1 . ]" 1
6 1 3 LYS HB3 1 4 MET H . . 4.000 2.529 1.801 2.754 . 0 0 "[ . 1 . ]" 1
7 1 3 LYS QG 1 51 SER HB2 . . 6.000 4.373 2.661 5.384 . 0 0 "[ . 1 . ]" 1
8 1 3 LYS QG 1 51 SER HB3 . . 6.000 4.334 2.719 5.343 . 0 0 "[ . 1 . ]" 1
9 1 3 LYS QG 1 52 PHE H . . 6.000 4.568 3.738 5.420 . 0 0 "[ . 1 . ]" 1
10 1 3 LYS QG 1 52 PHE HA . . 6.000 4.459 3.268 5.400 . 0 0 "[ . 1 . ]" 1
11 1 4 MET H 1 4 MET HG2 . . 5.000 2.141 1.678 2.731 . 0 0 "[ . 1 . ]" 1
12 1 4 MET H 1 4 MET HG3 . . 5.000 3.215 2.409 3.777 . 0 0 "[ . 1 . ]" 1
13 1 4 MET H 1 53 THR HA . . 5.000 3.626 2.877 4.091 . 0 0 "[ . 1 . ]" 1
14 1 4 MET HA 1 4 MET HB2 . . 3.000 2.679 2.477 2.811 . 0 0 "[ . 1 . ]" 1
15 1 4 MET HA 1 4 MET HB3 . . 3.000 2.319 2.255 2.463 . 0 0 "[ . 1 . ]" 1
16 1 4 MET HA 1 5 THR H . . 3.000 2.320 2.188 2.521 . 0 0 "[ . 1 . ]" 1
17 1 4 MET QB 1 5 THR H . . 4.600 2.811 2.298 3.294 . 0 0 "[ . 1 . ]" 1
18 1 4 MET QG 1 5 THR H . . 6.000 4.286 3.843 4.709 . 0 0 "[ . 1 . ]" 1
19 1 4 MET QG 1 52 PHE HA . . 6.000 4.825 4.399 5.399 . 0 0 "[ . 1 . ]" 1
20 1 4 MET O 1 52 PHE H . . 1.800 2.050 1.844 2.333 0.533 15 1 "[ . 1 + ]" 1
21 1 4 MET O 1 52 PHE N . . 2.700 2.909 2.675 3.002 0.302 2 0 "[ . 1 . ]" 1
22 1 5 THR H 1 52 PHE CG . . 8.200 6.721 6.019 7.562 . 0 0 "[ . 1 . ]" 1
23 1 5 THR HA 1 5 THR HB . . 3.000 2.486 2.485 2.487 . 0 0 "[ . 1 . ]" 1
24 1 5 THR HA 1 6 GLY H . . 3.000 2.398 2.243 2.549 . 0 0 "[ . 1 . ]" 1
25 1 5 THR HA 1 51 SER HA . . 5.000 2.383 1.981 2.740 . 0 0 "[ . 1 . ]" 1
26 1 5 THR HA 1 51 SER HB2 . . 5.000 4.073 3.246 4.943 . 0 0 "[ . 1 . ]" 1
27 1 5 THR HA 1 51 SER HB3 . . 5.000 3.717 2.198 4.998 . 0 0 "[ . 1 . ]" 1
28 1 5 THR HA 1 52 PHE H . . 5.000 3.827 3.500 4.499 . 0 0 "[ . 1 . ]" 1
29 1 5 THR HA 1 69 LEU QD . . 7.400 4.186 2.555 5.388 . 0 0 "[ . 1 . ]" 1
30 1 5 THR HB 1 6 GLY H . . 4.000 2.811 2.481 3.234 . 0 0 "[ . 1 . ]" 1
31 1 5 THR HB 1 6 GLY QA . . 5.000 4.251 4.150 4.358 . 0 0 "[ . 1 . ]" 1
32 1 5 THR HB 1 51 SER HA . . 5.000 4.588 4.145 5.021 0.021 9 0 "[ . 1 . ]" 1
33 1 5 THR MG 1 51 SER HA . . 7.000 4.305 3.465 4.799 . 0 0 "[ . 1 . ]" 1
34 1 5 THR MG 1 52 PHE H . . 7.000 5.259 4.783 5.710 . 0 0 "[ . 1 . ]" 1
35 1 6 GLY H 1 20 ILE MG . . 7.000 4.903 4.032 5.375 . 0 0 "[ . 1 . ]" 1
36 1 6 GLY H 1 49 LYS HA . . 5.000 4.469 3.623 4.901 . 0 0 "[ . 1 . ]" 1
37 1 6 GLY H 1 49 LYS QD . . 6.600 4.340 3.477 4.996 . 0 0 "[ . 1 . ]" 1
38 1 6 GLY H 1 50 VAL H . . 5.000 3.181 2.387 3.715 . 0 0 "[ . 1 . ]" 1
39 1 6 GLY H 1 50 VAL QG . . 9.200 3.830 3.284 4.146 . 0 0 "[ . 1 . ]" 1
40 1 6 GLY H 1 50 VAL O . . 1.800 1.973 1.775 2.054 0.254 12 0 "[ . 1 . ]" 1
41 1 6 GLY H 1 51 SER HA . . 5.000 3.169 2.480 3.763 . 0 0 "[ . 1 . ]" 1
42 1 6 GLY H 1 52 PHE CG . . 7.800 5.722 5.177 6.361 . 0 0 "[ . 1 . ]" 1
43 1 6 GLY QA 1 20 ILE MG . . 8.000 3.082 2.108 3.614 . 0 0 "[ . 1 . ]" 1
44 1 6 GLY QA 1 22 PRO HA . . 6.000 2.301 1.877 2.825 . 0 0 "[ . 1 . ]" 1
45 1 6 GLY QA 1 23 ASP H . . 6.000 3.386 1.792 5.065 . 0 0 "[ . 1 . ]" 1
46 1 6 GLY HA2 1 7 ILE H . . 4.000 2.289 2.182 2.934 . 0 0 "[ . 1 . ]" 1
47 1 6 GLY HA3 1 7 ILE H . . 4.000 3.173 2.359 3.463 . 0 0 "[ . 1 . ]" 1
48 1 6 GLY N 1 50 VAL O . . 2.700 2.735 2.620 3.000 0.300 12 0 "[ . 1 . ]" 1
49 1 6 GLY O 1 50 VAL H . . 1.800 2.006 1.839 2.154 0.354 8 0 "[ . 1 . ]" 1
50 1 6 GLY O 1 50 VAL N . . 2.700 2.858 2.662 3.020 0.320 15 0 "[ . 1 . ]" 1
51 1 7 ILE H 1 7 ILE HB . . 4.000 3.662 3.527 3.975 . 0 0 "[ . 1 . ]" 1
52 1 7 ILE H 1 7 ILE HG12 . . 5.000 2.995 2.740 4.137 . 0 0 "[ . 1 . ]" 1
53 1 7 ILE H 1 7 ILE HG13 . . 5.000 3.842 2.827 4.211 . 0 0 "[ . 1 . ]" 1
54 1 7 ILE H 1 20 ILE MG . . 7.000 3.710 2.798 4.346 . 0 0 "[ . 1 . ]" 1
55 1 7 ILE H 1 21 THR H . . 5.000 3.974 2.920 4.560 . 0 0 "[ . 1 . ]" 1
56 1 7 ILE H 1 21 THR O . . 1.800 2.456 2.082 2.840 1.040 15 13 "[ * ****-*1****+*]" 1
57 1 7 ILE H 1 52 PHE CG . . 7.800 7.240 6.067 7.841 0.041 7 0 "[ . 1 . ]" 1
58 1 7 ILE HA 1 7 ILE HB . . 3.000 2.199 2.196 2.201 . 0 0 "[ . 1 . ]" 1
59 1 7 ILE HA 1 8 VAL H . . 3.000 2.300 2.194 2.510 . 0 0 "[ . 1 . ]" 1
60 1 7 ILE HA 1 49 LYS QB . . 6.600 4.185 3.904 4.478 . 0 0 "[ . 1 . ]" 1
61 1 7 ILE HA 1 50 VAL QG . . 7.400 2.752 2.358 3.045 . 0 0 "[ . 1 . ]" 1
62 1 7 ILE HB 1 8 VAL H . . 5.000 3.093 2.681 3.446 . 0 0 "[ . 1 . ]" 1
63 1 7 ILE MD 1 50 VAL H . . 7.000 5.552 4.940 5.954 . 0 0 "[ . 1 . ]" 1
64 1 7 ILE QG 1 49 LYS HA . . 6.000 4.183 3.894 4.503 . 0 0 "[ . 1 . ]" 1
65 1 7 ILE MG 1 9 LYS QG . . 8.000 5.222 4.536 5.830 . 0 0 "[ . 1 . ]" 1
66 1 7 ILE MG 1 47 GLY QA . . 8.000 5.318 4.902 5.821 . 0 0 "[ . 1 . ]" 1
67 1 7 ILE MG 1 49 LYS HA . . 7.000 2.228 1.889 2.676 . 0 0 "[ . 1 . ]" 1
68 1 7 ILE MG 1 50 VAL HA . . 7.000 5.692 5.610 5.784 . 0 0 "[ . 1 . ]" 1
69 1 7 ILE N 1 21 THR O . . 2.700 3.053 3.017 3.122 0.422 11 0 "[ . 1 . ]" 1
70 1 7 ILE O 1 21 THR H . . 1.800 1.901 1.758 2.070 0.270 9 0 "[ . 1 . ]" 1
71 1 7 ILE O 1 21 THR N . . 2.700 2.812 2.649 3.009 0.309 9 0 "[ . 1 . ]" 1
72 1 8 VAL H 1 8 VAL HB . . 4.000 2.890 2.246 3.638 . 0 0 "[ . 1 . ]" 1
73 1 8 VAL H 1 47 GLY H . . 5.000 4.521 3.988 5.090 0.090 8 0 "[ . 1 . ]" 1
74 1 8 VAL H 1 48 GLN H . . 5.000 2.781 2.204 3.464 . 0 0 "[ . 1 . ]" 1
75 1 8 VAL H 1 48 GLN O . . 1.800 1.888 1.710 2.037 0.237 15 0 "[ . 1 . ]" 1
76 1 8 VAL HA 1 8 VAL HB . . 2.500 2.377 2.225 2.625 0.125 12 0 "[ . 1 . ]" 1
77 1 8 VAL HA 1 9 LYS H . . 3.000 2.275 2.191 2.430 . 0 0 "[ . 1 . ]" 1
78 1 8 VAL HA 1 20 ILE MG . . 7.000 2.519 1.962 3.276 . 0 0 "[ . 1 . ]" 1
79 1 8 VAL HA 1 21 THR H . . 5.000 2.687 1.954 3.239 . 0 0 "[ . 1 . ]" 1
80 1 8 VAL HB 1 50 VAL QG . . 7.400 3.022 2.003 3.972 . 0 0 "[ . 1 . ]" 1
81 1 8 VAL QG 1 10 TRP H . . 7.400 3.012 2.189 4.451 . 0 0 "[ . 1 . ]" 1
82 1 8 VAL QG 1 11 PHE CZ . . 10.200 5.451 3.347 7.614 . 0 0 "[ . 1 . ]" 1
83 1 8 VAL QG 1 11 PHE HA . . 7.400 4.136 3.310 5.113 . 0 0 "[ . 1 . ]" 1
84 1 8 VAL QG 1 11 PHE QB . . 8.400 2.548 1.731 3.901 . 0 0 "[ . 1 . ]" 1
85 1 8 VAL QG 1 20 ILE MG . . 9.400 3.200 1.839 3.825 . 0 0 "[ . 1 . ]" 1
86 1 8 VAL QG 1 44 LEU QD . . 9.800 2.205 1.659 3.051 . 0 0 "[ . 1 . ]" 1
87 1 8 VAL QG 1 45 ASP HA . . 7.400 4.425 1.600 5.450 . 0 0 "[ . 1 . ]" 1
88 1 8 VAL QG 1 46 GLU H . . 7.400 4.075 2.384 5.441 . 0 0 "[ . 1 . ]" 1
89 1 8 VAL QG 1 48 GLN QB . . 8.400 2.601 1.883 3.859 . 0 0 "[ . 1 . ]" 1
90 1 8 VAL QG 1 49 LYS HA . . 7.400 4.421 3.966 4.883 . 0 0 "[ . 1 . ]" 1
91 1 8 VAL MG1 1 9 LYS H . . 7.000 3.922 3.360 4.352 . 0 0 "[ . 1 . ]" 1
92 1 8 VAL MG1 1 47 GLY H . . 7.000 2.897 1.653 5.758 . 0 0 "[ . 1 . ]" 1
93 1 8 VAL MG1 1 48 GLN H . . 7.000 2.619 1.880 5.133 . 0 0 "[ . 1 . ]" 1
94 1 8 VAL MG2 1 9 LYS H . . 7.000 2.601 1.914 4.165 . 0 0 "[ . 1 . ]" 1
95 1 8 VAL MG2 1 47 GLY H . . 7.000 3.613 2.430 4.580 . 0 0 "[ . 1 . ]" 1
96 1 8 VAL MG2 1 48 GLN H . . 7.000 4.207 2.687 4.879 . 0 0 "[ . 1 . ]" 1
97 1 8 VAL N 1 48 GLN O . . 2.700 2.773 2.616 2.945 0.245 10 0 "[ . 1 . ]" 1
98 1 8 VAL O 1 48 GLN H . . 1.800 2.467 2.344 2.576 0.776 15 16 [****-*********+*] 1
99 1 8 VAL O 1 48 GLN N . . 2.700 3.353 3.219 3.453 0.753 12 16 [-**********+****] 1
100 1 9 LYS H 1 9 LYS HA . . 3.000 2.945 2.886 2.969 . 0 0 "[ . 1 . ]" 1
101 1 9 LYS H 1 10 TRP H . . 4.000 2.186 1.514 3.111 . 0 0 "[ . 1 . ]" 1
102 1 9 LYS H 1 20 ILE QG . . 6.000 4.048 2.473 4.949 . 0 0 "[ . 1 . ]" 1
103 1 9 LYS H 1 21 THR H . . 5.000 3.825 2.981 4.259 . 0 0 "[ . 1 . ]" 1
104 1 9 LYS HA 1 10 TRP H . . 5.000 3.560 3.147 3.637 . 0 0 "[ . 1 . ]" 1
105 1 9 LYS QB 1 10 TRP H . . 5.100 2.665 1.933 3.736 . 0 0 "[ . 1 . ]" 1
106 1 9 LYS QB 1 10 TRP HA . . 5.500 4.282 4.136 4.494 . 0 0 "[ . 1 . ]" 1
107 1 9 LYS QB 1 10 TRP HE1 . . 6.600 3.163 2.284 5.515 . 0 0 "[ . 1 . ]" 1
108 1 9 LYS QB 1 19 PHE QB . . 7.600 4.357 3.261 5.836 . 0 0 "[ . 1 . ]" 1
109 1 9 LYS QB 1 21 THR H . . 6.600 4.625 3.314 5.335 . 0 0 "[ . 1 . ]" 1
110 1 9 LYS QG 1 10 TRP H . . 6.000 4.241 3.945 4.559 . 0 0 "[ . 1 . ]" 1
111 1 9 LYS QG 1 21 THR H . . 6.000 4.345 3.393 5.404 . 0 0 "[ . 1 . ]" 1
112 1 10 TRP H 1 19 PHE H . . 5.000 3.873 2.849 4.438 . 0 0 "[ . 1 . ]" 1
113 1 10 TRP H 1 19 PHE QB . . 6.000 3.414 2.470 4.265 . 0 0 "[ . 1 . ]" 1
114 1 10 TRP H 1 19 PHE O . . 1.800 2.474 2.340 2.624 0.824 5 16 [*-**+***********] 1
115 1 10 TRP HA 1 10 TRP HB2 . . 3.000 2.938 2.844 3.016 0.016 13 0 "[ . 1 . ]" 1
116 1 10 TRP HA 1 10 TRP HB3 . . 3.000 2.266 2.192 2.491 . 0 0 "[ . 1 . ]" 1
117 1 10 TRP HA 1 11 PHE H . . 3.000 2.510 2.210 3.280 0.280 16 0 "[ . 1 . ]" 1
118 1 10 TRP QB 1 11 PHE H . . 4.600 2.936 1.757 3.921 . 0 0 "[ . 1 . ]" 1
119 1 10 TRP HE1 1 19 PHE QB . . 6.000 4.763 3.613 5.447 . 0 0 "[ . 1 . ]" 1
120 1 10 TRP HE1 1 28 ASP QB . . 6.000 5.199 3.138 5.439 . 0 0 "[ . 1 . ]" 1
121 1 10 TRP HE3 1 11 PHE H . . 5.000 4.747 4.318 5.069 0.069 2 0 "[ . 1 . ]" 1
122 1 10 TRP N 1 19 PHE O . . 2.700 3.342 3.190 3.436 0.736 14 15 "[*-********** +**]" 1
123 1 11 PHE CG 1 13 ALA H . . 7.800 5.095 3.772 6.488 . 0 0 "[ . 1 . ]" 1
124 1 11 PHE CG 1 18 GLY H . . 7.800 6.652 5.617 7.727 . 0 0 "[ . 1 . ]" 1
125 1 11 PHE CG 1 44 LEU H . . 7.800 4.704 2.960 7.509 . 0 0 "[ . 1 . ]" 1
126 1 11 PHE CZ 1 33 PHE H . . 7.800 7.748 7.379 7.890 0.090 10 0 "[ . 1 . ]" 1
127 1 11 PHE CZ 1 33 PHE HA . . 7.800 6.950 5.988 8.036 0.236 12 0 "[ . 1 . ]" 1
128 1 11 PHE CZ 1 36 ILE QG . . 8.800 7.367 4.835 7.914 . 0 0 "[ . 1 . ]" 1
129 1 11 PHE CZ 1 43 SER HA . . 7.800 4.110 2.941 6.237 . 0 0 "[ . 1 . ]" 1
130 1 11 PHE CZ 1 43 SER QB . . 8.800 4.732 2.729 6.069 . 0 0 "[ . 1 . ]" 1
131 1 11 PHE CZ 1 44 LEU QB . . 8.800 3.486 2.240 5.380 . 0 0 "[ . 1 . ]" 1
132 1 11 PHE CZ 1 44 LEU HG . . 7.800 5.841 4.507 7.857 0.057 2 0 "[ . 1 . ]" 1
133 1 11 PHE H 1 11 PHE HB2 . . 4.000 3.831 3.345 4.085 0.085 14 0 "[ . 1 . ]" 1
134 1 11 PHE H 1 11 PHE HB3 . . 4.000 2.866 2.069 3.676 . 0 0 "[ . 1 . ]" 1
135 1 11 PHE H 1 46 GLU QB . . 6.000 4.662 2.920 5.373 . 0 0 "[ . 1 . ]" 1
136 1 11 PHE HA 1 11 PHE HB2 . . 3.000 2.246 2.214 2.486 . 0 0 "[ . 1 . ]" 1
137 1 11 PHE HA 1 11 PHE HB3 . . 3.000 2.777 2.378 2.872 . 0 0 "[ . 1 . ]" 1
138 1 11 PHE HA 1 12 ASN H . . 3.000 2.274 2.183 2.754 . 0 0 "[ . 1 . ]" 1
139 1 11 PHE QB 1 19 PHE H . . 6.000 3.584 1.841 5.275 . 0 0 "[ . 1 . ]" 1
140 1 11 PHE HB2 1 44 LEU QB . . 6.000 4.230 2.371 5.442 . 0 0 "[ . 1 . ]" 1
141 1 11 PHE HB3 1 44 LEU QB . . 6.000 4.045 2.698 5.163 . 0 0 "[ . 1 . ]" 1
142 1 12 ASN H 1 17 PHE H . . 5.000 3.837 2.182 5.060 0.060 6 0 "[ . 1 . ]" 1
143 1 12 ASN HA 1 13 ALA H . . 3.000 2.291 2.179 2.764 . 0 0 "[ . 1 . ]" 1
144 1 12 ASN QB 1 15 LYS H . . 6.000 3.289 2.312 4.994 . 0 0 "[ . 1 . ]" 1
145 1 12 ASN QB 1 15 LYS QB . . 7.000 4.300 2.570 5.591 . 0 0 "[ . 1 . ]" 1
146 1 12 ASN HB2 1 17 PHE H . . 5.000 4.229 2.710 5.103 0.103 16 0 "[ . 1 . ]" 1
147 1 12 ASN HB3 1 17 PHE H . . 5.000 4.025 2.813 5.145 0.145 5 0 "[ . 1 . ]" 1
148 1 12 ASN O 1 17 PHE H . . 1.800 2.310 2.015 3.463 1.663 7 6 "[ .*+* 1* -* ]" 1
149 1 12 ASN O 1 17 PHE N . . 2.700 3.078 3.006 3.389 0.689 14 1 "[ . 1 +. ]" 1
150 1 13 ALA H 1 14 ASP H . . 4.000 2.753 2.054 3.831 . 0 0 "[ . 1 . ]" 1
151 1 13 ALA HA 1 14 ASP H . . 5.000 3.081 2.540 3.634 . 0 0 "[ . 1 . ]" 1
152 1 13 ALA MB 1 14 ASP H . . 5.800 3.432 2.133 3.756 . 0 0 "[ . 1 . ]" 1
153 1 13 ALA MB 1 43 SER QB . . 8.000 5.572 3.713 5.960 . 0 0 "[ . 1 . ]" 1
154 1 14 ASP H 1 15 LYS H . . 4.000 2.347 1.647 2.927 . 0 0 "[ . 1 . ]" 1
155 1 14 ASP H 1 15 LYS QB . . 5.600 4.791 4.104 5.196 . 0 0 "[ . 1 . ]" 1
156 1 14 ASP H 1 15 LYS HG2 . . 5.000 3.968 2.870 5.038 0.038 14 0 "[ . 1 . ]" 1
157 1 14 ASP H 1 15 LYS HG3 . . 5.000 4.409 2.972 5.052 0.052 8 0 "[ . 1 . ]" 1
158 1 14 ASP HA 1 14 ASP HB2 . . 3.000 2.747 2.368 3.011 0.011 4 0 "[ . 1 . ]" 1
159 1 14 ASP HA 1 14 ASP HB3 . . 3.000 2.624 2.297 3.023 0.023 11 0 "[ . 1 . ]" 1
160 1 14 ASP HA 1 15 LYS H . . 5.000 3.586 3.379 3.636 . 0 0 "[ . 1 . ]" 1
161 1 14 ASP QB 1 15 LYS H . . 5.000 2.626 1.765 3.485 . 0 0 "[ . 1 . ]" 1
162 1 15 LYS H 1 15 LYS QD . . 6.000 3.762 1.643 4.474 . 0 0 "[ . 1 . ]" 1
163 1 15 LYS H 1 16 GLY H . . 3.000 2.279 1.657 2.911 . 0 0 "[ . 1 . ]" 1
164 1 15 LYS H 1 16 GLY QA . . 5.600 4.227 3.658 4.744 . 0 0 "[ . 1 . ]" 1
165 1 15 LYS QB 1 16 GLY H . . 5.600 3.423 2.687 3.746 . 0 0 "[ . 1 . ]" 1
166 1 15 LYS QB 1 17 PHE H . . 6.000 4.804 4.037 5.261 . 0 0 "[ . 1 . ]" 1
167 1 15 LYS QD 1 16 GLY H . . 6.000 4.048 2.642 4.760 . 0 0 "[ . 1 . ]" 1
168 1 15 LYS QG 1 17 PHE H . . 6.000 3.305 2.419 4.500 . 0 0 "[ . 1 . ]" 1
169 1 16 GLY H 1 16 GLY HA2 . . 3.000 2.566 2.307 2.958 . 0 0 "[ . 1 . ]" 1
170 1 16 GLY H 1 16 GLY HA3 . . 3.000 2.876 2.306 3.000 . 5 0 "[ . 1 . ]" 1
171 1 16 GLY H 1 17 PHE CG . . 7.800 5.263 4.510 5.887 . 0 0 "[ . 1 . ]" 1
172 1 16 GLY H 1 17 PHE H . . 4.000 2.378 1.439 3.164 . 0 0 "[ . 1 . ]" 1
173 1 16 GLY HA2 1 17 PHE H . . 5.000 2.817 2.464 3.553 . 0 0 "[ . 1 . ]" 1
174 1 16 GLY HA3 1 17 PHE H . . 5.000 3.490 2.320 3.640 . 0 0 "[ . 1 . ]" 1
175 1 17 PHE CG 1 18 GLY H . . 7.800 4.061 2.741 5.162 . 0 0 "[ . 1 . ]" 1
176 1 17 PHE CG 1 32 HIS HD1 . . 7.800 6.366 2.291 7.800 0.000 3 0 "[ . 1 . ]" 1
177 1 17 PHE CZ 1 17 PHE H . . 6.600 5.950 4.395 6.648 0.048 10 0 "[ . 1 . ]" 1
178 1 17 PHE HA 1 17 PHE HB2 . . 3.000 2.888 2.233 3.034 0.034 9 0 "[ . 1 . ]" 1
179 1 17 PHE HA 1 17 PHE HB3 . . 3.000 2.544 2.269 2.993 . 0 0 "[ . 1 . ]" 1
180 1 17 PHE HA 1 18 GLY H . . 4.000 2.652 2.286 3.599 . 0 0 "[ . 1 . ]" 1
181 1 17 PHE HA 1 31 VAL QG . . 7.400 4.796 3.754 5.447 . 0 0 "[ . 1 . ]" 1
182 1 17 PHE HA 1 32 HIS HA . . 5.000 3.237 1.976 4.715 . 0 0 "[ . 1 . ]" 1
183 1 17 PHE HA 1 33 PHE CZ . . 7.800 6.911 4.602 7.911 0.111 10 0 "[ . 1 . ]" 1
184 1 17 PHE HA 1 33 PHE H . . 5.000 4.436 2.540 5.080 0.080 12 0 "[ . 1 . ]" 1
185 1 17 PHE QB 1 32 HIS HA . . 6.000 4.102 1.928 5.463 . 0 0 "[ . 1 . ]" 1
186 1 17 PHE HB2 1 18 GLY H . . 4.000 3.316 1.958 4.296 0.296 12 0 "[ . 1 . ]" 1
187 1 17 PHE HB3 1 18 GLY H . . 4.000 2.967 2.076 4.384 0.384 12 0 "[ . 1 . ]" 1
188 1 18 GLY H 1 31 VAL H . . 5.000 2.942 2.255 3.573 . 0 0 "[ . 1 . ]" 1
189 1 18 GLY H 1 31 VAL QG . . 7.400 3.498 2.648 4.204 . 0 0 "[ . 1 . ]" 1
190 1 18 GLY H 1 31 VAL O . . 1.800 2.047 1.845 2.266 0.466 14 0 "[ . 1 . ]" 1
191 1 18 GLY QA 1 19 PHE H . . 5.100 2.259 2.161 2.338 . 0 0 "[ . 1 . ]" 1
192 1 18 GLY N 1 31 VAL O . . 2.700 2.752 2.507 3.009 0.309 7 0 "[ . 1 . ]" 1
193 1 18 GLY O 1 31 VAL H . . 1.800 1.902 1.659 2.088 0.288 12 0 "[ . 1 . ]" 1
194 1 18 GLY O 1 31 VAL N . . 2.700 2.821 2.571 3.031 0.331 15 0 "[ . 1 . ]" 1
195 1 19 PHE CG 1 29 VAL H . . 7.800 5.858 4.123 7.751 . 0 0 "[ . 1 . ]" 1
196 1 19 PHE HA 1 20 ILE H . . 3.000 2.227 2.180 2.385 . 0 0 "[ . 1 . ]" 1
197 1 19 PHE HA 1 30 PHE HB2 . . 5.000 4.748 3.963 5.114 0.114 14 0 "[ . 1 . ]" 1
198 1 19 PHE HA 1 30 PHE HB3 . . 5.000 4.594 3.918 5.082 0.082 3 0 "[ . 1 . ]" 1
199 1 19 PHE HA 1 31 VAL H . . 5.000 3.442 2.831 4.218 . 0 0 "[ . 1 . ]" 1
200 1 19 PHE HA 1 31 VAL QG . . 7.400 3.133 1.953 4.368 . 0 0 "[ . 1 . ]" 1
201 1 19 PHE HB2 1 20 ILE H . . 5.000 4.345 3.432 4.695 . 0 0 "[ . 1 . ]" 1
202 1 19 PHE HB3 1 20 ILE H . . 5.000 3.625 2.636 4.479 . 0 0 "[ . 1 . ]" 1
203 1 20 ILE H 1 20 ILE HB . . 3.000 2.463 2.179 2.857 . 0 0 "[ . 1 . ]" 1
204 1 20 ILE H 1 20 ILE HG12 . . 5.000 3.677 2.986 4.524 . 0 0 "[ . 1 . ]" 1
205 1 20 ILE H 1 20 ILE HG13 . . 5.000 3.091 1.919 4.167 . 0 0 "[ . 1 . ]" 1
206 1 20 ILE H 1 28 ASP QB . . 6.000 3.915 2.669 5.425 . 0 0 "[ . 1 . ]" 1
207 1 20 ILE H 1 29 VAL HB . . 5.000 4.741 4.191 5.040 0.040 11 0 "[ . 1 . ]" 1
208 1 20 ILE H 1 29 VAL O . . 1.800 1.860 1.749 2.023 0.223 9 0 "[ . 1 . ]" 1
209 1 20 ILE H 1 31 VAL QG . . 7.400 2.986 1.940 4.012 . 0 0 "[ . 1 . ]" 1
210 1 20 ILE HA 1 21 THR H . . 3.000 2.469 2.306 2.623 . 0 0 "[ . 1 . ]" 1
211 1 20 ILE HB 1 21 THR H . . 5.000 3.728 2.906 4.024 . 0 0 "[ . 1 . ]" 1
212 1 20 ILE HB 1 21 THR HA . . 5.000 4.860 4.226 5.070 0.070 2 0 "[ . 1 . ]" 1
213 1 20 ILE MD 1 29 VAL QG . . 9.400 3.594 2.052 4.503 . 0 0 "[ . 1 . ]" 1
214 1 20 ILE MD 1 31 VAL HB . . 7.000 4.028 2.800 5.144 . 0 0 "[ . 1 . ]" 1
215 1 20 ILE MD 1 31 VAL MG1 . . 9.400 2.399 1.833 3.343 . 0 0 "[ . 1 . ]" 1
216 1 20 ILE MD 1 31 VAL MG2 . . 9.400 3.122 1.881 4.458 . 0 0 "[ . 1 . ]" 1
217 1 20 ILE MD 1 44 LEU QD . . 9.400 3.772 2.737 5.130 . 0 0 "[ . 1 . ]" 1
218 1 20 ILE MD 1 50 VAL QG . . 9.400 2.428 1.772 3.860 . 0 0 "[ . 1 . ]" 1
219 1 20 ILE MD 1 52 PHE CG . . 9.400 4.259 3.064 6.831 . 0 0 "[ . 1 . ]" 1
220 1 20 ILE MD 1 66 VAL QG . . 9.400 2.045 1.686 3.387 . 0 0 "[ . 1 . ]" 1
221 1 20 ILE QG 1 31 VAL QG . . 8.400 2.109 1.672 3.142 . 0 0 "[ . 1 . ]" 1
222 1 20 ILE MG 1 21 THR H . . 6.000 1.864 1.646 2.286 . 0 0 "[ . 1 . ]" 1
223 1 20 ILE MG 1 29 VAL QG . . 9.400 2.827 2.125 3.743 . 0 0 "[ . 1 . ]" 1
224 1 20 ILE MG 1 50 VAL QG . . 9.400 2.837 2.001 3.771 . 0 0 "[ . 1 . ]" 1
225 1 20 ILE MG 1 52 PHE CG . . 9.400 3.890 3.370 4.470 . 0 0 "[ . 1 . ]" 1
226 1 20 ILE N 1 29 VAL O . . 2.700 2.816 2.649 3.016 0.316 10 0 "[ . 1 . ]" 1
227 1 20 ILE O 1 29 VAL H . . 1.800 2.326 1.823 2.588 0.788 11 10 "[-* *.* * *+ ***]" 1
228 1 20 ILE O 1 29 VAL N . . 2.700 3.061 2.656 3.335 0.635 15 6 "[* *.- * +*]" 1
229 1 21 THR H 1 21 THR HB . . 3.000 2.639 2.371 3.023 0.023 9 0 "[ . 1 . ]" 1
230 1 21 THR HA 1 21 THR HB . . 3.000 2.974 2.523 3.055 0.055 4 0 "[ . 1 . ]" 1
231 1 21 THR HA 1 22 PRO HD2 . . 5.000 2.273 2.174 2.518 . 0 0 "[ . 1 . ]" 1
232 1 21 THR HA 1 22 PRO HD3 . . 5.000 2.054 1.920 2.315 . 0 0 "[ . 1 . ]" 1
233 1 21 THR HA 1 22 PRO QG . . 6.000 3.826 3.792 3.922 . 0 0 "[ . 1 . ]" 1
234 1 21 THR HA 1 27 LYS QB . . 6.600 5.706 4.829 6.014 . 0 0 "[ . 1 . ]" 1
235 1 21 THR HA 1 28 ASP HA . . 5.000 2.651 1.968 3.408 . 0 0 "[ . 1 . ]" 1
236 1 21 THR HA 1 29 VAL H . . 5.000 3.692 2.948 4.393 . 0 0 "[ . 1 . ]" 1
237 1 21 THR HB 1 22 PRO QD . . 6.000 4.228 3.573 4.425 . 0 0 "[ . 1 . ]" 1
238 1 21 THR MG 1 28 ASP HA . . 7.000 4.500 3.770 5.061 . 0 0 "[ . 1 . ]" 1
239 1 22 PRO HA 1 23 ASP H . . 3.000 2.550 2.147 2.873 . 0 0 "[ . 1 . ]" 1
240 1 22 PRO QB 1 26 SER H . . 6.000 4.453 2.873 5.206 . 0 0 "[ . 1 . ]" 1
241 1 22 PRO HD2 1 28 ASP HA . . 5.000 3.151 2.422 4.082 . 0 0 "[ . 1 . ]" 1
242 1 22 PRO HD2 1 29 VAL H . . 5.000 4.435 3.248 5.025 0.025 4 0 "[ . 1 . ]" 1
243 1 22 PRO HD3 1 28 ASP HA . . 5.000 2.619 1.995 3.231 . 0 0 "[ . 1 . ]" 1
244 1 22 PRO HD3 1 29 VAL H . . 5.000 3.060 2.223 3.566 . 0 0 "[ . 1 . ]" 1
245 1 22 PRO HG2 1 28 ASP HA . . 5.000 4.636 3.756 5.083 0.083 8 0 "[ . 1 . ]" 1
246 1 22 PRO HG3 1 28 ASP HA . . 5.000 4.214 3.447 4.784 . 0 0 "[ . 1 . ]" 1
247 1 23 ASP H 1 24 ASP H . . 4.000 2.540 1.500 3.490 . 0 0 "[ . 1 . ]" 1
248 1 23 ASP H 1 52 PHE CG . . 7.800 7.541 6.507 7.826 0.026 7 0 "[ . 1 . ]" 1
249 1 23 ASP HA 1 24 ASP H . . 5.000 3.533 3.319 3.632 . 0 0 "[ . 1 . ]" 1
250 1 23 ASP QB 1 24 ASP H . . 5.600 3.023 2.131 3.825 . 0 0 "[ . 1 . ]" 1
251 1 24 ASP H 1 25 GLY H . . 5.000 2.667 1.399 4.352 . 0 0 "[ . 1 . ]" 1
252 1 24 ASP HA 1 25 GLY QA . . 5.000 4.413 4.248 4.504 . 0 0 "[ . 1 . ]" 1
253 1 24 ASP QB 1 25 GLY H . . 5.600 2.721 1.605 3.866 . 0 0 "[ . 1 . ]" 1
254 1 25 GLY H 1 26 SER H . . 4.000 3.452 2.018 4.127 0.127 11 0 "[ . 1 . ]" 1
255 1 26 SER H 1 26 SER HB2 . . 4.000 3.398 2.119 4.069 0.069 15 0 "[ . 1 . ]" 1
256 1 26 SER H 1 26 SER HB3 . . 4.000 3.589 2.957 4.004 0.004 5 0 "[ . 1 . ]" 1
257 1 26 SER HA 1 26 SER HB2 . . 3.000 2.706 2.290 2.987 . 0 0 "[ . 1 . ]" 1
258 1 26 SER HA 1 26 SER HB3 . . 3.000 2.650 2.276 3.026 0.026 8 0 "[ . 1 . ]" 1
259 1 26 SER HA 1 27 LYS H . . 4.000 3.060 2.192 3.633 . 0 0 "[ . 1 . ]" 1
260 1 26 SER HB2 1 27 LYS H . . 4.000 3.180 2.055 4.082 0.082 8 0 "[ . 1 . ]" 1
261 1 26 SER HB3 1 27 LYS H . . 4.000 3.125 1.959 4.023 0.023 13 0 "[ . 1 . ]" 1
262 1 27 LYS HA 1 28 ASP H . . 3.000 2.686 2.256 2.803 . 0 0 "[ . 1 . ]" 1
263 1 27 LYS QB 1 28 ASP H . . 5.100 2.386 1.879 4.012 . 0 0 "[ . 1 . ]" 1
264 1 27 LYS QG 1 28 ASP H . . 6.600 3.455 1.670 4.342 . 0 0 "[ . 1 . ]" 1
265 1 28 ASP HA 1 29 VAL H . . 4.000 2.224 2.183 2.376 . 0 0 "[ . 1 . ]" 1
266 1 28 ASP HA 1 29 VAL QG . . 7.400 3.178 2.921 3.329 . 0 0 "[ . 1 . ]" 1
267 1 28 ASP QB 1 29 VAL H . . 4.600 3.107 2.536 3.475 . 0 0 "[ . 1 . ]" 1
268 1 29 VAL H 1 29 VAL HB . . 4.000 3.580 3.426 3.740 . 0 0 "[ . 1 . ]" 1
269 1 29 VAL HA 1 29 VAL HB . . 3.000 2.536 2.226 2.765 . 0 0 "[ . 1 . ]" 1
270 1 29 VAL HA 1 30 PHE H . . 3.000 2.261 2.181 2.465 . 0 0 "[ . 1 . ]" 1
271 1 29 VAL HA 1 61 PRO QB . . 6.000 3.674 1.977 4.845 . 0 0 "[ . 1 . ]" 1
272 1 29 VAL HB 1 30 PHE H . . 5.000 3.209 2.627 4.198 . 0 0 "[ . 1 . ]" 1
273 1 29 VAL QG 1 30 PHE CG . . 9.100 5.290 4.436 6.065 . 0 0 "[ . 1 . ]" 1
274 1 29 VAL QG 1 63 ALA H . . 7.400 3.754 2.334 4.362 . 0 0 "[ . 1 . ]" 1
275 1 29 VAL MG1 1 30 PHE H . . 7.000 3.668 2.838 4.448 . 0 0 "[ . 1 . ]" 1
276 1 29 VAL MG2 1 30 PHE H . . 7.000 4.062 3.241 4.383 . 0 0 "[ . 1 . ]" 1
277 1 30 PHE CG 1 31 VAL H . . 7.800 4.183 3.157 4.715 . 0 0 "[ . 1 . ]" 1
278 1 30 PHE CG 1 31 VAL QG . . 10.200 4.921 4.415 5.453 . 0 0 "[ . 1 . ]" 1
279 1 30 PHE H 1 30 PHE HB2 . . 4.000 3.177 2.063 3.643 . 0 0 "[ . 1 . ]" 1
280 1 30 PHE H 1 30 PHE HB3 . . 4.000 2.877 2.251 3.627 . 0 0 "[ . 1 . ]" 1
281 1 30 PHE H 1 62 ALA HA . . 5.000 2.995 2.079 4.241 . 0 0 "[ . 1 . ]" 1
282 1 30 PHE H 1 63 ALA H . . 5.000 4.466 3.163 5.039 0.039 5 0 "[ . 1 . ]" 1
283 1 30 PHE HA 1 31 VAL H . . 3.000 2.285 2.182 2.408 . 0 0 "[ . 1 . ]" 1
284 1 30 PHE QB 1 31 VAL H . . 5.600 2.977 2.570 3.447 . 0 0 "[ . 1 . ]" 1
285 1 30 PHE QB 1 62 ALA MB . . 8.000 4.293 2.340 4.998 . 0 0 "[ . 1 . ]" 1
286 1 30 PHE HB2 1 62 ALA HA . . 5.000 4.675 3.559 5.154 0.154 12 0 "[ . 1 . ]" 1
287 1 30 PHE HB3 1 62 ALA HA . . 5.000 4.751 4.243 5.203 0.203 16 0 "[ . 1 . ]" 1
288 1 31 VAL HA 1 31 VAL HB . . 2.500 2.233 2.169 2.342 . 0 0 "[ . 1 . ]" 1
289 1 31 VAL HA 1 32 HIS H . . 3.000 2.444 2.295 2.595 . 0 0 "[ . 1 . ]" 1
290 1 31 VAL HB 1 32 HIS H . . 4.000 3.305 2.436 3.801 . 0 0 "[ . 1 . ]" 1
291 1 31 VAL HB 1 63 ALA MB . . 7.000 2.647 1.802 4.630 . 0 0 "[ . 1 . ]" 1
292 1 31 VAL QG 1 32 HIS H . . 7.400 2.144 1.622 3.125 . 0 0 "[ . 1 . ]" 1
293 1 31 VAL QG 1 35 ALA MB . . 9.400 3.411 1.902 4.617 . 0 0 "[ . 1 . ]" 1
294 1 31 VAL QG 1 44 LEU QD . . 9.800 4.246 2.745 5.363 . 0 0 "[ . 1 . ]" 1
295 1 31 VAL QG 1 63 ALA H . . 7.400 3.426 2.274 5.071 . 0 0 "[ . 1 . ]" 1
296 1 32 HIS H 1 32 HIS HB2 . . 4.000 3.044 2.396 3.917 . 0 0 "[ . 1 . ]" 1
297 1 32 HIS H 1 32 HIS HB3 . . 4.000 3.120 2.292 3.569 . 0 0 "[ . 1 . ]" 1
298 1 32 HIS H 1 35 ALA MB . . 7.000 4.092 2.513 5.809 . 0 0 "[ . 1 . ]" 1
299 1 32 HIS HA 1 32 HIS HD1 . . 5.000 3.321 2.075 4.560 . 0 0 "[ . 1 . ]" 1
300 1 32 HIS HA 1 33 PHE H . . 3.000 2.408 2.185 2.966 . 0 0 "[ . 1 . ]" 1
301 1 32 HIS HA 1 33 PHE QB . . 5.100 4.400 4.172 4.611 . 0 0 "[ . 1 . ]" 1
302 1 32 HIS QB 1 35 ALA H . . 6.000 4.877 4.023 5.421 . 0 0 "[ . 1 . ]" 1
303 1 32 HIS HB2 1 33 PHE H . . 5.000 3.754 1.671 4.703 . 0 0 "[ . 1 . ]" 1
304 1 32 HIS HB3 1 33 PHE H . . 5.000 3.790 3.030 4.613 . 0 0 "[ . 1 . ]" 1
305 1 32 HIS HD1 1 33 PHE QB . . 5.600 4.442 2.931 5.080 . 0 0 "[ . 1 . ]" 1
306 1 33 PHE CG 1 34 SER H . . 7.800 4.034 2.828 5.114 . 0 0 "[ . 1 . ]" 1
307 1 33 PHE CG 1 34 SER HA . . 7.800 5.546 4.421 7.011 . 0 0 "[ . 1 . ]" 1
308 1 33 PHE CZ 1 33 PHE H . . 6.600 4.942 4.526 5.178 . 0 0 "[ . 1 . ]" 1
309 1 33 PHE H 1 33 PHE HZ . . 6.000 5.872 5.468 6.058 0.058 7 0 "[ . 1 . ]" 1
310 1 33 PHE H 1 34 SER H . . 5.000 3.503 2.430 4.718 . 0 0 "[ . 1 . ]" 1
311 1 33 PHE H 1 34 SER QB . . 6.200 4.572 3.701 5.103 . 0 0 "[ . 1 . ]" 1
312 1 33 PHE H 1 35 ALA H . . 5.000 4.785 4.129 5.060 0.060 12 0 "[ . 1 . ]" 1
313 1 33 PHE HA 1 33 PHE HB2 . . 3.000 2.692 2.307 3.035 0.035 13 0 "[ . 1 . ]" 1
314 1 33 PHE HA 1 33 PHE HB3 . . 3.000 2.479 2.304 2.589 . 0 0 "[ . 1 . ]" 1
315 1 33 PHE HA 1 34 SER H . . 5.000 3.047 2.363 3.564 . 0 0 "[ . 1 . ]" 1
316 1 33 PHE HA 1 35 ALA H . . 5.000 3.558 2.839 4.850 . 0 0 "[ . 1 . ]" 1
317 1 33 PHE HA 1 36 ILE MD . . 7.000 4.545 3.323 5.557 . 0 0 "[ . 1 . ]" 1
318 1 33 PHE QB 1 36 ILE HB . . 6.000 5.074 3.582 5.470 . 0 0 "[ . 1 . ]" 1
319 1 33 PHE QB 1 36 ILE MD . . 8.000 4.170 1.954 5.669 . 0 0 "[ . 1 . ]" 1
320 1 33 PHE QB 1 42 LYS QB . . 7.600 4.891 2.008 5.955 . 0 0 "[ . 1 . ]" 1
321 1 34 SER H 1 35 ALA H . . 4.000 2.744 2.092 3.451 . 0 0 "[ . 1 . ]" 1
322 1 34 SER HA 1 35 ALA H . . 5.000 3.176 2.775 3.618 . 0 0 "[ . 1 . ]" 1
323 1 34 SER HA 1 36 ILE H . . 5.000 4.243 3.394 5.237 0.237 10 0 "[ . 1 . ]" 1
324 1 35 ALA H 1 36 ILE H . . 3.000 2.507 1.637 3.171 0.171 10 0 "[ . 1 . ]" 1
325 1 35 ALA H 1 36 ILE QG . . 6.000 4.984 3.701 5.549 . 0 0 "[ . 1 . ]" 1
326 1 35 ALA HA 1 36 ILE H . . 5.000 2.995 2.472 3.566 . 0 0 "[ . 1 . ]" 1
327 1 35 ALA HA 1 37 GLN HE22 . . 5.000 4.544 2.054 5.268 0.268 16 0 "[ . 1 . ]" 1
328 1 35 ALA HA 1 65 ASN H . . 5.000 4.944 4.152 5.101 0.101 10 0 "[ . 1 . ]" 1
329 1 35 ALA MB 1 64 GLY QA . . 8.000 3.386 2.402 4.736 . 0 0 "[ . 1 . ]" 1
330 1 35 ALA MB 1 65 ASN H . . 7.000 2.871 1.805 4.641 . 0 0 "[ . 1 . ]" 1
331 1 35 ALA MB 1 66 VAL H . . 7.000 2.908 1.561 4.105 . 0 0 "[ . 1 . ]" 1
332 1 35 ALA MB 1 66 VAL QG . . 12.000 2.620 1.720 4.985 . 0 0 "[ . 1 . ]" 1
333 1 36 ILE HA 1 36 ILE HB . . 3.000 2.379 2.263 2.436 . 0 0 "[ . 1 . ]" 1
334 1 36 ILE HA 1 37 GLN H . . 3.000 2.658 2.559 3.126 0.126 16 0 "[ . 1 . ]" 1
335 1 36 ILE HA 1 37 GLN HE21 . . 5.000 3.389 2.179 4.711 . 0 0 "[ . 1 . ]" 1
336 1 36 ILE HA 1 66 VAL H . . 5.000 3.972 2.265 5.112 0.112 6 0 "[ . 1 . ]" 1
337 1 36 ILE HA 1 67 THR HA . . 5.000 4.177 3.020 5.058 0.058 9 0 "[ . 1 . ]" 1
338 1 36 ILE MD 1 42 LYS HA . . 7.000 3.806 1.947 5.571 . 0 0 "[ . 1 . ]" 1
339 1 36 ILE MD 1 43 SER H . . 7.000 3.751 2.438 5.276 . 0 0 "[ . 1 . ]" 1
340 1 36 ILE MD 1 43 SER HA . . 7.000 4.678 3.111 5.739 . 0 0 "[ . 1 . ]" 1
341 1 36 ILE MG 1 37 GLN H . . 7.000 3.826 3.186 4.364 . 0 0 "[ . 1 . ]" 1
342 1 36 ILE MG 1 38 ASN H . . 7.000 4.284 1.989 5.961 . 0 0 "[ . 1 . ]" 1
343 1 36 ILE MG 1 38 ASN HB2 . . 7.000 5.067 4.488 5.834 . 0 0 "[ . 1 . ]" 1
344 1 36 ILE MG 1 38 ASN HB3 . . 7.000 5.015 3.467 5.764 . 0 0 "[ . 1 . ]" 1
345 1 36 ILE MG 1 43 SER H . . 7.000 4.520 1.788 5.727 . 0 0 "[ . 1 . ]" 1
346 1 36 ILE MG 1 44 LEU QD . . 9.400 2.971 1.588 5.082 . 0 0 "[ . 1 . ]" 1
347 1 36 ILE MG 1 67 THR HA . . 7.000 5.463 3.384 5.940 . 0 0 "[ . 1 . ]" 1
348 1 37 GLN H 1 38 ASN H . . 5.000 3.706 2.796 4.357 . 0 0 "[ . 1 . ]" 1
349 1 37 GLN H 1 66 VAL H . . 5.000 4.746 4.154 5.113 0.113 5 0 "[ . 1 . ]" 1
350 1 37 GLN H 1 67 THR HA . . 5.000 3.678 2.640 4.720 . 0 0 "[ . 1 . ]" 1
351 1 37 GLN H 1 68 SER H . . 5.000 4.854 3.820 5.216 0.216 16 0 "[ . 1 . ]" 1
352 1 37 GLN HA 1 37 GLN HB2 . . 3.000 2.962 2.278 3.042 0.042 11 0 "[ . 1 . ]" 1
353 1 37 GLN HA 1 37 GLN HB3 . . 3.000 2.574 2.350 2.968 . 0 0 "[ . 1 . ]" 1
354 1 37 GLN HA 1 38 ASN H . . 5.000 2.469 2.217 2.930 . 0 0 "[ . 1 . ]" 1
355 1 37 GLN QB 1 67 THR MG . . 8.000 4.473 2.545 5.982 . 0 0 "[ . 1 . ]" 1
356 1 37 GLN HE21 1 65 ASN HA . . 5.000 3.970 3.607 4.389 . 0 0 "[ . 1 . ]" 1
357 1 37 GLN HE21 1 68 SER H . . 5.000 5.051 4.842 5.187 0.187 10 0 "[ . 1 . ]" 1
358 1 37 GLN HE22 1 65 ASN HA . . 5.000 3.038 2.136 5.007 0.007 2 0 "[ . 1 . ]" 1
359 1 37 GLN QG 1 66 VAL H . . 6.000 5.117 4.433 5.450 . 0 0 "[ . 1 . ]" 1
360 1 38 ASN H 1 39 ASP H . . 5.000 4.078 2.435 4.717 . 0 0 "[ . 1 . ]" 1
361 1 38 ASN HA 1 38 ASN HB2 . . 3.000 2.635 2.398 2.916 . 0 0 "[ . 1 . ]" 1
362 1 38 ASN HA 1 38 ASN HB3 . . 3.000 2.804 2.479 3.043 0.043 16 0 "[ . 1 . ]" 1
363 1 38 ASN HA 1 39 ASP H . . 3.000 2.628 2.181 3.084 0.084 6 0 "[ . 1 . ]" 1
364 1 38 ASN QB 1 39 ASP H . . 5.600 2.827 1.676 4.101 . 0 0 "[ . 1 . ]" 1
365 1 38 ASN QB 1 40 GLY H . . 6.000 4.138 2.613 5.071 . 0 0 "[ . 1 . ]" 1
366 1 39 ASP H 1 40 GLY H . . 5.000 3.339 1.906 4.530 . 0 0 "[ . 1 . ]" 1
367 1 39 ASP HA 1 40 GLY H . . 4.000 3.156 2.182 3.637 . 0 0 "[ . 1 . ]" 1
368 1 39 ASP QB 1 40 GLY H . . 5.600 2.823 1.650 4.039 . 0 0 "[ . 1 . ]" 1
369 1 40 GLY H 1 41 TYR H . . 5.000 3.438 1.765 4.335 . 0 0 "[ . 1 . ]" 1
370 1 40 GLY H 1 42 LYS QE . . 6.000 4.681 1.832 5.401 . 0 0 "[ . 1 . ]" 1
371 1 40 GLY QA 1 42 LYS QD . . 7.600 4.387 2.605 6.023 . 0 0 "[ . 1 . ]" 1
372 1 40 GLY HA2 1 41 TYR H . . 5.000 3.275 2.281 3.648 . 0 0 "[ . 1 . ]" 1
373 1 40 GLY HA3 1 41 TYR H . . 5.000 2.667 2.256 3.639 . 0 0 "[ . 1 . ]" 1
374 1 41 TYR CG 1 42 LYS H . . 6.600 4.619 3.726 5.046 . 0 0 "[ . 1 . ]" 1
375 1 41 TYR CG 1 43 SER QB . . 8.800 5.489 3.513 7.088 . 0 0 "[ . 1 . ]" 1
376 1 41 TYR CZ 1 43 SER QB . . 8.800 6.496 2.670 7.843 . 0 0 "[ . 1 . ]" 1
377 1 41 TYR H 1 42 LYS H . . 5.000 3.918 3.134 4.574 . 0 0 "[ . 1 . ]" 1
378 1 41 TYR HA 1 42 LYS H . . 3.000 2.387 2.176 2.737 . 0 0 "[ . 1 . ]" 1
379 1 41 TYR HA 1 43 SER H . . 8.800 5.450 3.175 6.214 . 0 0 "[ . 1 . ]" 1
380 1 41 TYR QB 1 42 LYS H . . 6.200 3.866 3.383 4.115 . 0 0 "[ . 1 . ]" 1
381 1 41 TYR QB 1 43 SER H . . 6.600 4.916 2.673 5.867 . 0 0 "[ . 1 . ]" 1
382 1 42 LYS H 1 43 SER H . . 5.000 4.296 2.902 4.673 . 0 0 "[ . 1 . ]" 1
383 1 42 LYS HA 1 43 SER H . . 3.000 2.483 2.184 3.205 0.205 6 0 "[ . 1 . ]" 1
384 1 42 LYS QB 1 43 SER H . . 5.600 3.330 1.603 4.063 . 0 0 "[ . 1 . ]" 1
385 1 42 LYS HD2 1 43 SER H . . 5.000 4.662 3.884 5.119 0.119 10 0 "[ . 1 . ]" 1
386 1 42 LYS HD3 1 43 SER H . . 5.000 4.662 4.026 5.047 0.047 14 0 "[ . 1 . ]" 1
387 1 43 SER HA 1 44 LEU H . . 3.000 2.361 2.181 2.975 . 0 0 "[ . 1 . ]" 1
388 1 43 SER QB 1 44 LEU H . . 4.600 2.907 1.621 3.620 . 0 0 "[ . 1 . ]" 1
389 1 44 LEU H 1 44 LEU HG . . 5.000 3.945 2.215 4.879 . 0 0 "[ . 1 . ]" 1
390 1 44 LEU HA 1 45 ASP H . . 4.000 2.618 2.180 3.167 . 0 0 "[ . 1 . ]" 1
391 1 44 LEU QB 1 45 ASP H . . 5.600 2.557 1.675 3.444 . 0 0 "[ . 1 . ]" 1
392 1 44 LEU QB 1 45 ASP HA . . 5.500 4.239 3.888 4.701 . 0 0 "[ . 1 . ]" 1
393 1 44 LEU QD 1 45 ASP H . . 7.400 2.936 1.565 4.538 . 0 0 "[ . 1 . ]" 1
394 1 44 LEU QD 1 48 GLN HE21 . . 7.400 3.402 2.202 5.122 . 0 0 "[ . 1 . ]" 1
395 1 44 LEU QD 1 48 GLN HE22 . . 7.400 3.370 1.493 4.783 . 0 0 "[ . 1 . ]" 1
396 1 44 LEU QD 1 50 VAL QG . . 9.800 2.453 1.811 3.458 . 0 0 "[ . 1 . ]" 1
397 1 44 LEU QD 1 66 VAL QG . . 11.600 3.479 2.007 4.981 . 0 0 "[ . 1 . ]" 1
398 1 45 ASP H 1 48 GLN HB2 . . 5.000 4.366 3.388 5.042 0.042 16 0 "[ . 1 . ]" 1
399 1 45 ASP H 1 48 GLN HB3 . . 5.000 4.172 3.304 5.159 0.159 8 0 "[ . 1 . ]" 1
400 1 45 ASP HA 1 45 ASP HB2 . . 3.000 2.804 2.397 3.032 0.032 4 0 "[ . 1 . ]" 1
401 1 45 ASP HA 1 45 ASP HB3 . . 3.000 2.660 2.324 3.000 . 0 0 "[ . 1 . ]" 1
402 1 45 ASP HA 1 46 GLU H . . 3.000 2.586 2.185 3.062 0.062 9 0 "[ . 1 . ]" 1
403 1 45 ASP HB2 1 46 GLU H . . 5.000 3.860 1.651 4.632 . 0 0 "[ . 1 . ]" 1
404 1 45 ASP HB3 1 46 GLU H . . 5.000 3.442 1.912 4.610 . 0 0 "[ . 1 . ]" 1
405 1 46 GLU H 1 46 GLU HB2 . . 4.000 3.311 2.081 4.013 0.013 7 0 "[ . 1 . ]" 1
406 1 46 GLU H 1 46 GLU HB3 . . 4.000 3.085 2.273 3.882 . 0 0 "[ . 1 . ]" 1
407 1 46 GLU HA 1 46 GLU HB2 . . 3.000 2.519 2.331 2.965 . 0 0 "[ . 1 . ]" 1
408 1 46 GLU HA 1 46 GLU HB3 . . 3.000 2.737 2.363 3.041 0.041 11 0 "[ . 1 . ]" 1
409 1 46 GLU QB 1 47 GLY H . . 5.600 3.843 3.374 4.090 . 0 0 "[ . 1 . ]" 1
410 1 46 GLU HG2 1 47 GLY H . . 5.000 4.559 3.209 5.004 0.004 4 0 "[ . 1 . ]" 1
411 1 46 GLU HG3 1 47 GLY H . . 5.000 4.492 3.431 5.025 0.025 13 0 "[ . 1 . ]" 1
412 1 47 GLY H 1 48 GLN H . . 4.000 2.631 2.068 3.221 . 0 0 "[ . 1 . ]" 1
413 1 47 GLY H 1 48 GLN QG . . 6.600 4.387 2.558 5.927 . 0 0 "[ . 1 . ]" 1
414 1 47 GLY QA 1 48 GLN H . . 5.600 2.456 2.213 2.758 . 0 0 "[ . 1 . ]" 1
415 1 48 GLN H 1 48 GLN HB2 . . 4.000 3.413 2.527 4.011 0.011 15 0 "[ . 1 . ]" 1
416 1 48 GLN H 1 48 GLN HB3 . . 4.000 3.296 2.359 3.998 . 0 0 "[ . 1 . ]" 1
417 1 48 GLN HA 1 49 LYS H . . 3.000 2.305 2.190 2.457 . 0 0 "[ . 1 . ]" 1
418 1 48 GLN HA 1 49 LYS HA . . 4.500 4.352 4.322 4.390 . 0 0 "[ . 1 . ]" 1
419 1 48 GLN QB 1 49 LYS H . . 5.600 3.165 2.466 3.773 . 0 0 "[ . 1 . ]" 1
420 1 48 GLN HE21 1 68 SER QB . . 6.000 2.802 1.727 3.971 . 0 0 "[ . 1 . ]" 1
421 1 48 GLN HE22 1 68 SER HA . . 5.000 4.366 3.181 5.072 0.072 13 0 "[ . 1 . ]" 1
422 1 48 GLN HE22 1 68 SER QB . . 6.000 2.586 1.711 3.784 . 0 0 "[ . 1 . ]" 1
423 1 48 GLN HE22 1 69 LEU H . . 5.000 4.778 4.219 5.145 0.145 8 0 "[ . 1 . ]" 1
424 1 48 GLN QG 1 49 LYS H . . 6.600 3.256 1.717 4.378 . 0 0 "[ . 1 . ]" 1
425 1 48 GLN QG 1 50 VAL QG . . 9.000 2.886 1.783 4.748 . 0 0 "[ . 1 . ]" 1
426 1 49 LYS H 1 50 VAL QG . . 7.400 3.793 3.513 4.281 . 0 0 "[ . 1 . ]" 1
427 1 49 LYS H 1 69 LEU H . . 5.000 4.637 4.135 5.102 0.102 11 0 "[ . 1 . ]" 1
428 1 49 LYS HA 1 50 VAL H . . 3.000 2.195 2.181 2.226 . 0 0 "[ . 1 . ]" 1
429 1 49 LYS HA 1 50 VAL QG . . 7.400 3.199 3.099 3.366 . 0 0 "[ . 1 . ]" 1
430 1 49 LYS QB 1 50 VAL H . . 5.100 3.822 3.689 4.003 . 0 0 "[ . 1 . ]" 1
431 1 49 LYS QB 1 69 LEU H . . 6.600 4.139 3.275 4.580 . 0 0 "[ . 1 . ]" 1
432 1 49 LYS QB 1 69 LEU QD . . 10.200 3.736 1.839 4.942 . 0 0 "[ . 1 . ]" 1
433 1 49 LYS QD 1 50 VAL H . . 6.600 4.426 3.896 4.949 . 0 0 "[ . 1 . ]" 1
434 1 49 LYS QG 1 50 VAL H . . 6.000 2.775 2.439 3.227 . 0 0 "[ . 1 . ]" 1
435 1 49 LYS QG 1 50 VAL HA . . 6.000 4.316 4.046 4.952 . 0 0 "[ . 1 . ]" 1
436 1 49 LYS O 1 69 LEU H . . 1.800 2.031 1.910 2.171 0.371 3 0 "[ . 1 . ]" 1
437 1 49 LYS O 1 69 LEU N . . 2.700 2.840 2.589 3.065 0.365 9 0 "[ . 1 . ]" 1
438 1 50 VAL H 1 68 SER HA . . 5.000 4.993 4.609 5.152 0.152 16 0 "[ . 1 . ]" 1
439 1 50 VAL HA 1 50 VAL HB . . 3.000 2.291 2.166 2.564 . 0 0 "[ . 1 . ]" 1
440 1 50 VAL HA 1 51 SER H . . 3.000 2.580 2.260 2.888 . 0 0 "[ . 1 . ]" 1
441 1 50 VAL HA 1 68 SER HA . . 5.000 2.750 1.961 3.199 . 0 0 "[ . 1 . ]" 1
442 1 50 VAL HA 1 69 LEU H . . 5.000 2.418 1.658 2.893 . 0 0 "[ . 1 . ]" 1
443 1 50 VAL HA 1 69 LEU QB . . 6.600 3.086 1.986 4.312 . 0 0 "[ . 1 . ]" 1
444 1 50 VAL HA 1 69 LEU QD . . 9.200 3.309 1.964 4.415 . 0 0 "[ . 1 . ]" 1
445 1 50 VAL HB 1 51 SER H . . 3.000 2.505 1.883 3.043 0.043 15 0 "[ . 1 . ]" 1
446 1 50 VAL HB 1 67 THR H . . 5.000 3.587 2.514 4.326 . 0 0 "[ . 1 . ]" 1
447 1 50 VAL QG 1 51 SER HA . . 7.400 3.506 3.168 4.420 . 0 0 "[ . 1 . ]" 1
448 1 50 VAL QG 1 52 PHE CG . . 9.000 4.373 3.504 5.175 . 0 0 "[ . 1 . ]" 1
449 1 50 VAL QG 1 69 LEU H . . 7.400 2.671 1.628 3.724 . 0 0 "[ . 1 . ]" 1
450 1 50 VAL MG1 1 51 SER H . . 7.000 3.931 3.579 4.219 . 0 0 "[ . 1 . ]" 1
451 1 50 VAL MG2 1 51 SER H . . 7.000 2.708 2.158 4.145 . 0 0 "[ . 1 . ]" 1
452 1 51 SER H 1 67 THR O . . 1.800 1.998 1.760 2.112 0.312 5 0 "[ . 1 . ]" 1
453 1 51 SER H 1 68 SER HA . . 5.000 4.028 3.374 4.282 . 0 0 "[ . 1 . ]" 1
454 1 51 SER H 1 69 LEU H . . 5.000 4.546 3.479 5.050 0.050 3 0 "[ . 1 . ]" 1
455 1 51 SER H 1 69 LEU QD . . 7.400 3.889 2.548 5.157 . 0 0 "[ . 1 . ]" 1
456 1 51 SER H 1 69 LEU HG . . 5.000 4.623 3.029 5.081 0.081 11 0 "[ . 1 . ]" 1
457 1 51 SER HA 1 51 SER HB2 . . 3.000 2.768 2.240 3.002 0.002 5 0 "[ . 1 . ]" 1
458 1 51 SER HA 1 51 SER HB3 . . 3.000 2.588 2.234 2.980 . 0 0 "[ . 1 . ]" 1
459 1 51 SER HA 1 52 PHE CG . . 7.800 4.408 3.897 5.186 . 0 0 "[ . 1 . ]" 1
460 1 51 SER HA 1 52 PHE H . . 3.000 2.413 2.181 2.709 . 0 0 "[ . 1 . ]" 1
461 1 51 SER HA 1 69 LEU QD . . 9.200 4.390 2.896 5.834 . 0 0 "[ . 1 . ]" 1
462 1 51 SER QB 1 52 PHE H . . 4.600 2.935 2.097 4.016 . 0 0 "[ . 1 . ]" 1
463 1 51 SER QB 1 67 THR MG . . 8.000 2.369 1.829 3.477 . 0 0 "[ . 1 . ]" 1
464 1 51 SER N 1 67 THR O . . 2.700 2.871 2.664 3.031 0.331 13 0 "[ . 1 . ]" 1
465 1 52 PHE CG 1 53 THR H . . 7.800 3.654 3.038 4.261 . 0 0 "[ . 1 . ]" 1
466 1 52 PHE CG 1 53 THR HA . . 7.800 4.963 4.334 5.599 . 0 0 "[ . 1 . ]" 1
467 1 52 PHE CG 1 53 THR MG . . 8.400 5.255 4.800 5.789 . 0 0 "[ . 1 . ]" 1
468 1 52 PHE CG 1 63 ALA HA . . 7.800 4.988 3.850 7.456 . 0 0 "[ . 1 . ]" 1
469 1 52 PHE CG 1 66 VAL HB . . 7.800 6.638 5.692 7.919 0.119 15 0 "[ . 1 . ]" 1
470 1 52 PHE CG 1 66 VAL QG . . 10.200 3.623 2.858 5.034 . 0 0 "[ . 1 . ]" 1
471 1 52 PHE H 1 67 THR H . . 5.000 5.066 4.743 5.612 0.612 15 1 "[ . 1 + ]" 1
472 1 52 PHE HA 1 53 THR H . . 3.500 2.676 2.257 2.886 . 0 0 "[ . 1 . ]" 1
473 1 52 PHE HA 1 53 THR MG . . 7.000 3.654 2.762 4.028 . 0 0 "[ . 1 . ]" 1
474 1 52 PHE HA 1 63 ALA MB . . 7.000 4.509 3.627 5.703 . 0 0 "[ . 1 . ]" 1
475 1 52 PHE HA 1 65 ASN QB . . 6.600 3.572 1.725 4.577 . 0 0 "[ . 1 . ]" 1
476 1 52 PHE HA 1 66 VAL HA . . 5.000 2.704 2.118 3.610 . 0 0 "[ . 1 . ]" 1
477 1 52 PHE HA 1 66 VAL QG . . 9.200 2.962 1.747 4.174 . 0 0 "[ . 1 . ]" 1
478 1 52 PHE HA 1 67 THR H . . 5.000 4.068 3.690 4.520 . 0 0 "[ . 1 . ]" 1
479 1 52 PHE QB 1 53 THR H . . 4.600 2.050 1.637 3.013 . 0 0 "[ . 1 . ]" 1
480 1 52 PHE QB 1 54 ILE HA . . 6.000 4.313 3.679 5.176 . 0 0 "[ . 1 . ]" 1
481 1 52 PHE QB 1 66 VAL HA . . 6.000 3.085 1.952 3.895 . 0 0 "[ . 1 . ]" 1
482 1 52 PHE QB 1 67 THR H . . 6.000 4.641 3.831 5.326 . 0 0 "[ . 1 . ]" 1
483 1 52 PHE HB2 1 63 ALA MB . . 7.000 2.935 1.951 4.905 . 0 0 "[ . 1 . ]" 1
484 1 52 PHE HB2 1 66 VAL QG . . 9.200 2.990 1.997 3.833 . 0 0 "[ . 1 . ]" 1
485 1 52 PHE HB3 1 63 ALA MB . . 7.000 3.404 2.013 4.894 . 0 0 "[ . 1 . ]" 1
486 1 52 PHE HB3 1 66 VAL QG . . 9.200 2.157 1.712 3.597 . 0 0 "[ . 1 . ]" 1
487 1 53 THR H 1 54 ILE H . . 5.000 2.856 2.039 3.984 . 0 0 "[ . 1 . ]" 1
488 1 53 THR H 1 63 ALA HA . . 5.000 4.019 2.907 5.153 0.153 5 0 "[ . 1 . ]" 1
489 1 53 THR H 1 63 ALA MB . . 7.000 3.840 2.511 5.251 . 0 0 "[ . 1 . ]" 1
490 1 53 THR H 1 64 GLY H . . 5.000 3.080 2.218 4.654 . 0 0 "[ . 1 . ]" 1
491 1 53 THR H 1 65 ASN QB . . 6.600 3.735 2.453 4.746 . 0 0 "[ . 1 . ]" 1
492 1 53 THR H 1 66 VAL QG . . 9.200 3.940 3.042 5.029 . 0 0 "[ . 1 . ]" 1
493 1 53 THR HA 1 53 THR HB . . 2.500 2.435 2.392 2.449 . 0 0 "[ . 1 . ]" 1
494 1 53 THR HA 1 54 ILE H . . 4.000 2.726 2.229 3.010 . 0 0 "[ . 1 . ]" 1
495 1 53 THR HA 1 54 ILE QG . . 6.000 4.485 3.665 5.761 . 0 0 "[ . 1 . ]" 1
496 1 53 THR HA 1 54 ILE MG . . 7.000 5.260 3.387 5.645 . 0 0 "[ . 1 . ]" 1
497 1 53 THR HB 1 64 GLY QA . . 6.000 5.175 4.416 5.410 . 0 0 "[ . 1 . ]" 1
498 1 53 THR HB 1 65 ASN HD22 . . 5.500 5.310 3.296 5.680 0.180 9 0 "[ . 1 . ]" 1
499 1 53 THR MG 1 64 GLY QA . . 7.600 2.766 1.873 4.451 . 0 0 "[ . 1 . ]" 1
500 1 53 THR MG 1 65 ASN QB . . 8.800 1.984 1.663 2.731 . 0 0 "[ . 1 . ]" 1
501 1 53 THR MG 1 65 ASN HD21 . . 7.000 2.839 2.115 4.073 . 0 0 "[ . 1 . ]" 1
502 1 53 THR MG 1 65 ASN HD22 . . 7.000 4.013 2.804 4.758 . 0 0 "[ . 1 . ]" 1
503 1 53 THR MG 1 66 VAL QG . . 10.200 4.326 3.696 4.951 . 0 0 "[ . 1 . ]" 1
504 1 54 ILE H 1 54 ILE HB . . 4.000 2.811 2.126 3.423 . 0 0 "[ . 1 . ]" 1
505 1 54 ILE H 1 54 ILE HG12 . . 5.000 3.431 1.661 4.638 . 0 0 "[ . 1 . ]" 1
506 1 54 ILE H 1 54 ILE HG13 . . 5.000 2.860 1.988 4.417 . 0 0 "[ . 1 . ]" 1
507 1 54 ILE HA 1 54 ILE HB . . 3.000 2.914 2.268 2.995 . 0 0 "[ . 1 . ]" 1
508 1 54 ILE HA 1 63 ALA HA . . 5.000 3.189 1.994 4.744 . 0 0 "[ . 1 . ]" 1
509 1 54 ILE HA 1 66 VAL QG . . 9.200 5.953 4.845 6.805 . 0 0 "[ . 1 . ]" 1
510 1 54 ILE QG 1 61 PRO QB . . 7.000 4.884 3.686 5.611 . 0 0 "[ . 1 . ]" 1
511 1 54 ILE MG 1 55 GLU H . . 7.000 3.161 1.687 4.235 . 0 0 "[ . 1 . ]" 1
512 1 54 ILE MG 1 56 SER H . . 7.000 5.134 3.846 5.640 . 0 0 "[ . 1 . ]" 1
513 1 54 ILE MG 1 61 PRO HA . . 7.000 4.554 1.789 5.859 . 0 0 "[ . 1 . ]" 1
514 1 54 ILE MG 1 61 PRO HB2 . . 7.000 4.298 1.917 5.699 . 0 0 "[ . 1 . ]" 1
515 1 54 ILE MG 1 61 PRO HB3 . . 7.000 4.172 1.982 5.608 . 0 0 "[ . 1 . ]" 1
516 1 54 ILE MG 1 62 ALA H . . 7.000 4.158 2.621 5.672 . 0 0 "[ . 1 . ]" 1
517 1 55 GLU H 1 62 ALA H . . 5.000 3.382 2.643 4.593 . 0 0 "[ . 1 . ]" 1
518 1 55 GLU H 1 62 ALA O . . 1.800 2.243 2.005 3.018 1.218 7 5 "[* -.*+ 1 * . ]" 1
519 1 55 GLU H 1 63 ALA HA . . 5.000 3.402 2.074 4.340 . 0 0 "[ . 1 . ]" 1
520 1 55 GLU HA 1 56 SER H . . 3.500 2.532 2.184 3.169 . 0 0 "[ . 1 . ]" 1
521 1 55 GLU HB2 1 56 SER H . . 5.000 3.872 2.408 4.522 . 0 0 "[ . 1 . ]" 1
522 1 55 GLU HB3 1 56 SER H . . 5.000 2.658 1.633 3.580 . 0 0 "[ . 1 . ]" 1
523 1 55 GLU QG 1 62 ALA MB . . 8.000 4.738 2.199 5.904 . 0 0 "[ . 1 . ]" 1
524 1 55 GLU N 1 62 ALA O . . 2.700 3.001 2.727 3.082 0.382 16 0 "[ . 1 . ]" 1
525 1 56 SER H 1 56 SER HB2 . . 4.000 3.419 2.874 4.007 0.007 14 0 "[ . 1 . ]" 1
526 1 56 SER H 1 56 SER HB3 . . 4.000 3.004 2.416 3.985 . 0 0 "[ . 1 . ]" 1
527 1 56 SER H 1 57 GLY H . . 5.000 4.178 2.848 4.587 . 0 0 "[ . 1 . ]" 1
528 1 56 SER HA 1 57 GLY H . . 4.000 2.270 2.183 2.964 . 0 0 "[ . 1 . ]" 1
529 1 56 SER HA 1 61 PRO HA . . 5.000 3.477 1.978 5.067 0.067 3 0 "[ . 1 . ]" 1
530 1 56 SER HA 1 62 ALA H . . 5.000 3.960 1.682 5.003 0.003 5 0 "[ . 1 . ]" 1
531 1 56 SER QB 1 61 PRO HA . . 6.000 3.981 1.901 5.422 . 0 0 "[ . 1 . ]" 1
532 1 57 GLY H 1 60 GLY H . . 5.000 4.595 3.361 5.023 0.023 10 0 "[ . 1 . ]" 1
533 1 57 GLY QA 1 58 ALA H . . 4.600 2.568 2.182 2.926 . 0 0 "[ . 1 . ]" 1
534 1 58 ALA HA 1 59 LYS H . . 5.000 3.217 2.227 3.624 . 0 0 "[ . 1 . ]" 1
535 1 58 ALA MB 1 59 LYS H . . 5.800 2.280 1.592 3.712 . 0 0 "[ . 1 . ]" 1
536 1 59 LYS H 1 60 GLY H . . 4.000 2.882 1.828 3.822 . 0 0 "[ . 1 . ]" 1
537 1 59 LYS HA 1 59 LYS HB2 . . 3.000 2.583 2.239 3.006 0.006 1 0 "[ . 1 . ]" 1
538 1 59 LYS HA 1 59 LYS HB3 . . 3.000 2.715 2.269 3.003 0.003 10 0 "[ . 1 . ]" 1
539 1 59 LYS QB 1 60 GLY H . . 5.600 3.225 1.741 4.115 . 0 0 "[ . 1 . ]" 1
540 1 60 GLY H 1 61 PRO QD . . 6.000 3.681 1.886 4.306 . 0 0 "[ . 1 . ]" 1
541 1 61 PRO HA 1 62 ALA H . . 3.000 2.331 2.144 2.662 . 0 0 "[ . 1 . ]" 1
542 1 61 PRO HA 1 62 ALA MB . . 5.800 3.888 3.766 4.036 . 0 0 "[ . 1 . ]" 1
543 1 61 PRO QB 1 62 ALA H . . 5.600 3.019 2.257 3.668 . 0 0 "[ . 1 . ]" 1
544 1 61 PRO QD 1 62 ALA MB . . 8.000 5.075 4.561 5.703 . 0 0 "[ . 1 . ]" 1
545 1 62 ALA HA 1 63 ALA H . . 3.000 2.494 2.240 2.852 . 0 0 "[ . 1 . ]" 1
546 1 62 ALA HA 1 63 ALA MB . . 5.800 3.985 3.837 4.382 . 0 0 "[ . 1 . ]" 1
547 1 62 ALA MB 1 63 ALA H . . 5.800 2.442 1.733 3.668 . 0 0 "[ . 1 . ]" 1
548 1 63 ALA HA 1 64 GLY H . . 3.000 2.575 2.182 3.062 0.062 1 0 "[ . 1 . ]" 1
549 1 63 ALA MB 1 64 GLY H . . 5.800 2.501 1.610 3.686 . 0 0 "[ . 1 . ]" 1
550 1 63 ALA MB 1 66 VAL QG . . 12.000 2.603 1.693 4.727 . 0 0 "[ . 1 . ]" 1
551 1 64 GLY QA 1 65 ASN HD21 . . 6.000 4.822 4.356 5.426 . 0 0 "[ . 1 . ]" 1
552 1 64 GLY HA2 1 65 ASN H . . 4.000 2.429 2.198 3.088 . 0 0 "[ . 1 . ]" 1
553 1 64 GLY HA3 1 65 ASN H . . 4.000 2.973 2.269 3.590 . 0 0 "[ . 1 . ]" 1
554 1 65 ASN H 1 65 ASN HA . . 3.000 2.311 2.290 2.388 . 0 0 "[ . 1 . ]" 1
555 1 65 ASN H 1 66 VAL H . . 4.000 3.167 2.570 3.787 . 0 0 "[ . 1 . ]" 1
556 1 65 ASN H 1 66 VAL QG . . 9.200 3.633 2.650 4.675 . 0 0 "[ . 1 . ]" 1
557 1 65 ASN HA 1 66 VAL H . . 4.000 2.522 2.186 2.861 . 0 0 "[ . 1 . ]" 1
558 1 66 VAL H 1 66 VAL HB . . 4.000 2.957 2.036 3.739 . 0 0 "[ . 1 . ]" 1
559 1 66 VAL HB 1 67 THR H . . 5.000 3.975 3.320 4.226 . 0 0 "[ . 1 . ]" 1
560 1 66 VAL HB 1 67 THR HA . . 5.000 4.704 4.338 5.201 0.201 11 0 "[ . 1 . ]" 1
561 1 66 VAL QG 1 67 THR H . . 7.800 3.055 1.698 3.744 . 0 0 "[ . 1 . ]" 1
562 1 66 VAL QG 1 67 THR HA . . 7.800 4.056 2.909 4.559 . 0 0 "[ . 1 . ]" 1
563 1 66 VAL QG 1 68 SER H . . 9.200 4.878 3.539 6.100 . 0 0 "[ . 1 . ]" 1
564 1 67 THR HA 1 67 THR HB . . 3.000 2.375 2.327 2.481 . 0 0 "[ . 1 . ]" 1
565 1 67 THR HA 1 68 SER H . . 3.000 2.230 2.181 2.494 . 0 0 "[ . 1 . ]" 1
566 1 67 THR HB 1 68 SER H . . 4.000 4.067 3.820 4.191 0.191 6 0 "[ . 1 . ]" 1
567 1 67 THR MG 1 68 SER H . . 7.000 4.200 3.402 4.431 . 0 0 "[ . 1 . ]" 1
568 1 68 SER HA 1 69 LEU H . . 3.000 2.268 2.188 2.440 . 0 0 "[ . 1 . ]" 1
569 1 68 SER HB2 1 69 LEU H . . 5.000 3.086 2.503 3.493 . 0 0 "[ . 1 . ]" 1
570 1 68 SER HB3 1 69 LEU H . . 5.000 4.008 3.383 4.398 . 0 0 "[ . 1 . ]" 1
571 1 69 LEU H 1 69 LEU HG . . 5.000 3.489 1.766 4.294 . 0 0 "[ . 1 . ]" 1
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