NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
541690 |
2lqc   |
18302 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqc
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 1090
_Distance_constraint_stats_list.Viol_count 2020
_Distance_constraint_stats_list.Viol_total 10812.543
_Distance_constraint_stats_list.Viol_max 2.146
_Distance_constraint_stats_list.Viol_rms 0.1280
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0248
_Distance_constraint_stats_list.Viol_average_violations_only 0.2676
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLN 15.938 1.138 9 16 "[*****-* +* * *** ***]"
1 4 LEU 28.099 1.924 16 17 "[******* **-* **+ ***]"
1 5 THR 10.486 0.888 8 5 "[ * - + 1 * . * 2]"
1 6 GLU 10.587 0.433 17 0 "[ . 1 . 2]"
1 7 GLU 15.419 0.663 16 12 "[*** ** *- * *+ * *]"
1 8 GLN 22.324 0.888 8 1 "[ . + 1 . 2]"
1 9 ILE 25.864 0.663 16 12 "[*** ** *- * *+ * *]"
1 10 ALA 26.444 1.429 6 17 "[****.+****** ***-**2]"
1 11 GLU 38.007 1.429 6 17 "[****.+****** ***-**2]"
1 12 PHE 20.726 1.116 1 12 "[+***.*** - .*** *]"
1 13 LYS 8.083 0.445 6 0 "[ . 1 . 2]"
1 14 GLU 3.066 0.154 8 0 "[ . 1 . 2]"
1 15 ALA 1.222 0.127 19 0 "[ . 1 . 2]"
1 16 PHE 12.181 0.379 16 0 "[ . 1 . 2]"
1 17 SER 12.858 0.376 19 0 "[ . 1 . 2]"
1 18 LEU 8.524 0.379 16 0 "[ . 1 . 2]"
1 19 PHE 29.640 1.486 15 20 [**************+***-*]
1 20 ASP 8.151 0.508 14 2 "[ . 1 -+. 2]"
1 21 LYS 1.410 0.459 20 0 "[ . 1 . 2]"
1 22 ASP 3.230 0.451 14 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 3.230 0.451 14 0 "[ . 1 . 2]"
1 25 GLY 1.101 0.219 18 0 "[ . 1 . 2]"
1 26 THR 7.679 0.469 20 0 "[ . 1 . 2]"
1 27 ILE 23.528 0.687 1 6 "[+* *. - * * 2]"
1 28 THR 16.497 1.047 15 10 "[** -.** *1 * +* * 2]"
1 29 THR 20.684 0.900 11 20 [*-********+*********]
1 30 LYS 9.218 0.433 15 0 "[ . 1 . 2]"
1 31 GLU 1.394 0.459 20 0 "[ . 1 . 2]"
1 32 LEU 23.014 1.219 17 20 [****-***********+***]
1 33 GLY 26.932 1.547 20 10 "[-* *. * * * *. ** +]"
1 34 THR 17.173 2.146 20 9 "[*- *. * * * *. * +]"
1 35 VAL 31.518 1.979 20 10 "[** *. * * *-*. * +]"
1 36 MET 46.084 1.486 15 20 [*********-****+*****]
1 37 ARG 1.684 0.180 4 0 "[ . 1 . 2]"
1 38 SER 2.222 0.289 15 0 "[ . 1 . 2]"
1 39 LEU 4.299 0.289 15 0 "[ . 1 . 2]"
1 40 GLY 2.503 0.393 1 0 "[ . 1 . 2]"
1 41 GLN 2.756 0.393 1 0 "[ . 1 . 2]"
1 42 ASN 6.169 0.649 2 3 "[ + . - 1 .* 2]"
1 43 PRO 6.169 0.649 2 3 "[ + . - 1 .* 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 1.317 0.176 8 0 "[ . 1 . 2]"
1 46 ALA 0.864 0.176 8 0 "[ . 1 . 2]"
1 47 GLU 0.534 0.203 20 0 "[ . 1 . 2]"
1 48 LEU 82.241 2.146 20 20 [****-**************+]
1 49 GLN 14.362 0.532 20 4 "[ . 1 **- +]"
1 50 ASP 2.237 0.367 18 0 "[ . 1 . 2]"
1 51 MET 1.908 0.367 18 0 "[ . 1 . 2]"
1 52 ILE 66.513 1.047 13 20 [************+*-*****]
1 53 ASN 7.464 0.532 20 4 "[ . 1 -** +]"
1 54 GLU 0.298 0.238 19 0 "[ . 1 . 2]"
1 55 VAL 23.507 1.373 19 13 "[ * *****1** -* *+*]"
1 56 ASP 8.270 1.517 7 7 "[ * **+* 1* - 2]"
1 57 ALA 2.064 0.712 15 2 "[ - . 1 + 2]"
1 58 ASP 2.337 0.712 15 2 "[ - . 1 + 2]"
1 59 GLY 0.038 0.038 18 0 "[ . 1 . 2]"
1 60 ASN 13.755 1.047 13 8 "[ . *1**+*.*- *]"
1 61 GLY 7.973 1.108 13 2 "[ . 1 + . -]"
1 62 THR 8.462 1.108 13 2 "[ . 1 + . -]"
1 63 ILE 40.522 1.517 7 12 "[ * * +**1*- ** ***]"
1 64 ASP 4.850 0.899 7 2 "[ - + 1 . 2]"
1 65 PHE 7.917 0.824 8 11 "[ ** * *+-**** * 2]"
1 66 PRO 0.990 0.386 6 0 "[ . 1 . 2]"
1 67 GLU 24.302 0.824 8 12 "[ ** *-*+***** * 2]"
1 68 PHE 8.237 0.430 12 0 "[ . 1 . 2]"
1 69 LEU 34.047 1.116 1 14 "[+***.-** *** .*** *]"
1 70 THR 10.944 0.570 19 1 "[ . 1 . +2]"
1 71 MET 48.896 1.373 19 19 "[* *-**************+*]"
1 72 MET 38.362 1.308 8 19 "[* *****+************]"
1 73 ALA 15.622 1.924 16 6 "[ . -*1* .+ **]"
1 74 ARG 8.702 1.320 19 3 "[ . -*1 . +2]"
1 75 LYS 1.537 0.236 5 0 "[ . 1 . 2]"
1 76 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 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 4 LEU HB3 1 8 GLN HB3 5.500 . 5.500 4.953 3.721 5.573 0.073 7 0 "[ . 1 . 2]" 1
2 1 4 LEU HB2 1 8 GLN HB3 5.500 . 5.500 4.910 2.360 5.629 0.129 19 0 "[ . 1 . 2]" 1
3 1 3 GLN HA 1 4 LEU HG 5.500 . 5.500 6.137 3.834 6.638 1.138 9 16 "[*****-* +* * *** ***]" 1
4 1 4 LEU HG 1 9 ILE HA 5.500 . 5.500 5.439 4.465 5.724 0.224 11 0 "[ . 1 . 2]" 1
5 1 4 LEU HG 1 8 GLN HB3 4.950 . 4.950 2.963 2.318 4.743 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU HG 1 5 THR H 5.500 . 5.500 2.207 1.684 4.129 . 0 0 "[ . 1 . 2]" 1
7 1 5 THR MG 1 6 GLU H 4.050 . 4.050 2.775 1.786 3.464 . 0 0 "[ . 1 . 2]" 1
8 1 5 THR H 1 5 THR MG . . 3.380 2.940 1.928 4.057 0.677 2 5 "[ + - * 1 * . * 2]" 1
9 1 5 THR MG 1 7 GLU H 3.930 . 3.930 2.393 1.710 3.005 . 0 0 "[ . 1 . 2]" 1
10 1 5 THR MG 1 8 GLN H 4.260 . 4.260 2.294 1.703 3.921 . 0 0 "[ . 1 . 2]" 1
11 1 5 THR MG 1 6 GLU HA 4.530 . 4.530 4.238 3.875 4.644 0.114 11 0 "[ . 1 . 2]" 1
12 1 5 THR MG 1 8 GLN HG2 4.640 . 4.640 3.960 2.141 5.528 0.888 8 1 "[ . + 1 . 2]" 1
13 1 5 THR MG 1 8 GLN HG3 4.640 . 4.640 4.331 2.483 5.121 0.481 6 0 "[ . 1 . 2]" 1
14 1 13 LYS HA 1 16 PHE HB3 3.760 . 3.760 2.394 2.305 2.596 . 0 0 "[ . 1 . 2]" 1
15 1 6 GLU HA 1 6 GLU HG2 3.760 . 3.760 3.163 2.978 3.722 . 0 0 "[ . 1 . 2]" 1
16 1 13 LYS HA 1 16 PHE QD 4.260 . 4.260 2.613 2.359 3.150 . 0 0 "[ . 1 . 2]" 1
17 1 12 PHE QD 1 13 LYS HA 3.880 . 3.880 3.688 3.487 3.799 . 0 0 "[ . 1 . 2]" 1
18 1 5 THR HA 1 6 GLU HB2 5.500 . 5.500 4.702 4.576 4.886 . 0 0 "[ . 1 . 2]" 1
19 1 5 THR HA 1 6 GLU HB3 5.500 . 5.500 5.129 4.843 5.451 . 0 0 "[ . 1 . 2]" 1
20 1 31 GLU HA 1 31 GLU HG2 3.480 . 3.480 2.481 2.404 2.597 . 0 0 "[ . 1 . 2]" 1
21 1 6 GLU HA 1 6 GLU HG3 3.760 . 3.760 2.531 2.418 2.874 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLN HA 1 8 GLN HG2 4.200 . 4.200 3.092 2.382 3.649 . 0 0 "[ . 1 . 2]" 1
23 1 8 GLN HA 1 8 GLN HG3 4.200 . 4.200 3.118 2.580 3.694 . 0 0 "[ . 1 . 2]" 1
24 1 8 GLN H 1 8 GLN HG2 4.530 . 4.530 3.449 1.901 4.597 0.067 16 0 "[ . 1 . 2]" 1
25 1 5 THR H 1 8 GLN HG2 4.760 . 4.760 3.943 3.323 5.079 0.319 13 0 "[ . 1 . 2]" 1
26 1 21 LYS HA 1 21 LYS QD 3.200 . 3.200 2.208 2.106 2.268 . 0 0 "[ . 1 . 2]" 1
27 1 35 VAL HA 1 37 ARG H 4.720 . 4.720 4.510 4.117 4.752 0.032 4 0 "[ . 1 . 2]" 1
28 1 35 VAL HA 1 35 VAL QG 3.070 . 3.070 2.083 2.053 2.108 . 0 0 "[ . 1 . 2]" 1
29 1 9 ILE HB 1 9 ILE MD . . 3.070 2.339 2.281 2.399 . 0 0 "[ . 1 . 2]" 1
30 1 9 ILE HB 1 10 ALA MB 4.900 . 4.900 4.603 4.552 4.720 . 0 0 "[ . 1 . 2]" 1
31 1 9 ILE HB 1 10 ALA H 4.180 . 4.180 3.402 3.336 3.534 . 0 0 "[ . 1 . 2]" 1
32 1 8 GLN HB2 1 9 ILE HG12 5.090 . 5.090 4.337 3.672 5.002 . 0 0 "[ . 1 . 2]" 1
33 1 9 ILE HA 1 9 ILE MD 4.190 . 4.190 4.126 4.110 4.144 . 0 0 "[ . 1 . 2]" 1
34 1 9 ILE MD 1 10 ALA HA 5.020 . 5.020 4.746 4.644 4.859 . 0 0 "[ . 1 . 2]" 1
35 1 5 THR HA 1 9 ILE MD 5.500 . 5.500 5.136 4.499 5.511 0.011 5 0 "[ . 1 . 2]" 1
36 1 9 ILE MD 1 10 ALA MB 4.130 . 4.130 3.999 3.945 4.064 . 0 0 "[ . 1 . 2]" 1
37 1 9 ILE MD 1 9 ILE HG12 2.500 . 2.500 2.126 2.091 2.138 . 0 0 "[ . 1 . 2]" 1
38 1 8 GLN H 1 9 ILE MD 5.500 . 5.500 5.505 5.359 5.591 0.091 16 0 "[ . 1 . 2]" 1
39 1 9 ILE H 1 9 ILE MD . . 3.610 3.494 3.414 3.558 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLU H 1 9 ILE MD 5.110 . 5.110 5.163 4.888 5.288 0.178 16 0 "[ . 1 . 2]" 1
41 1 6 GLU H 1 9 ILE MD 5.500 . 5.500 4.502 4.163 4.707 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLN HB3 1 9 ILE MG 4.920 . 4.920 3.458 3.071 3.943 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLU HA 1 9 ILE MG 3.960 . 3.960 4.044 3.761 4.155 0.195 16 0 "[ . 1 . 2]" 1
44 1 9 ILE MG 1 10 ALA H 4.480 . 4.480 3.968 3.925 3.993 . 0 0 "[ . 1 . 2]" 1
45 1 5 THR H 1 9 ILE MG 5.500 . 5.500 3.976 3.189 5.146 . 0 0 "[ . 1 . 2]" 1
46 1 7 GLU H 1 9 ILE MG 5.500 . 5.500 6.014 5.634 6.163 0.663 16 12 "[*** ** *- * *+ * *]" 1
47 1 9 ILE HA 1 9 ILE MG 3.190 . 3.190 2.225 2.204 2.253 . 0 0 "[ . 1 . 2]" 1
48 1 8 GLN HB2 1 9 ILE HA 5.400 . 5.400 4.944 4.273 5.470 0.070 16 0 "[ . 1 . 2]" 1
49 1 9 ILE HA 1 10 ALA MB 5.500 . 5.500 5.023 5.011 5.031 . 0 0 "[ . 1 . 2]" 1
50 1 9 ILE HA 1 9 ILE HG13 3.840 . 3.840 3.745 3.716 3.788 . 0 0 "[ . 1 . 2]" 1
51 1 8 GLN HB3 1 9 ILE HA 4.580 . 4.580 3.971 3.749 4.163 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE HA 1 12 PHE QD 4.050 . 4.050 2.396 2.264 2.986 . 0 0 "[ . 1 . 2]" 1
53 1 8 GLN H 1 9 ILE HA 5.500 . 5.500 5.646 5.597 5.678 0.178 16 0 "[ . 1 . 2]" 1
54 1 51 MET HB2 1 51 MET ME 4.680 . 4.680 4.073 2.927 4.268 . 0 0 "[ . 1 . 2]" 1
55 1 51 MET HB3 1 51 MET ME 4.680 . 4.680 4.006 3.721 4.129 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE HG12 1 10 ALA MB 4.190 . 4.190 4.152 3.993 4.257 0.067 5 0 "[ . 1 . 2]" 1
57 1 9 ILE H 1 10 ALA MB 4.600 . 4.600 4.465 4.402 4.518 . 0 0 "[ . 1 . 2]" 1
58 1 46 ALA HA 1 49 GLN QB 3.840 . 3.840 2.439 2.271 2.625 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE HG12 1 10 ALA HA 4.980 . 4.980 5.221 5.087 5.344 0.364 6 0 "[ . 1 . 2]" 1
60 1 11 GLU HA 1 14 GLU HB2 3.350 . 3.350 2.906 2.476 3.141 . 0 0 "[ . 1 . 2]" 1
61 1 10 ALA MB 1 11 GLU HA 3.990 . 3.990 3.770 3.714 3.852 . 0 0 "[ . 1 . 2]" 1
62 1 29 THR HA 1 30 LYS HA 4.800 . 4.800 4.774 4.734 4.800 . 0 0 "[ . 1 . 2]" 1
63 1 11 GLU HA 1 14 GLU H 3.980 . 3.980 3.611 3.424 3.711 . 0 0 "[ . 1 . 2]" 1
64 1 11 GLU HG2 1 12 PHE H 5.500 . 5.500 4.229 3.712 4.941 . 0 0 "[ . 1 . 2]" 1
65 1 5 THR HA 1 6 GLU HA 4.440 . 4.440 4.325 4.302 4.338 . 0 0 "[ . 1 . 2]" 1
66 1 6 GLU HA 1 9 ILE HG12 3.170 . 3.170 2.473 2.318 2.592 . 0 0 "[ . 1 . 2]" 1
67 1 6 GLU HA 1 9 ILE H 3.880 . 3.880 3.881 3.816 4.031 0.151 17 0 "[ . 1 . 2]" 1
68 1 6 GLU HA 1 8 GLN H 4.480 . 4.480 4.764 4.620 4.913 0.433 17 0 "[ . 1 . 2]" 1
69 1 6 GLU HA 1 9 ILE MD 3.120 . 3.120 2.246 2.072 2.373 . 0 0 "[ . 1 . 2]" 1
70 1 13 LYS H 1 13 LYS HB3 3.600 . 3.600 2.566 2.411 2.897 . 0 0 "[ . 1 . 2]" 1
71 1 13 LYS H 1 13 LYS HG2 4.830 . 4.830 4.468 4.105 4.657 . 0 0 "[ . 1 . 2]" 1
72 1 13 LYS HA 1 13 LYS HE2 5.500 . 5.500 4.860 3.840 5.540 0.040 14 0 "[ . 1 . 2]" 1
73 1 13 LYS HA 1 13 LYS HE3 5.500 . 5.500 4.834 4.085 5.432 . 0 0 "[ . 1 . 2]" 1
74 1 14 GLU HA 1 17 SER H 3.730 . 3.730 3.637 3.565 3.769 0.039 19 0 "[ . 1 . 2]" 1
75 1 30 LYS HA 1 33 GLY H 4.110 . 4.110 3.673 3.419 3.885 . 0 0 "[ . 1 . 2]" 1
76 1 30 LYS HA 1 33 GLY QA 4.710 . 4.710 3.435 3.320 3.623 . 0 0 "[ . 1 . 2]" 1
77 1 14 GLU HA 1 18 LEU H 4.440 . 4.440 4.434 4.260 4.582 0.142 3 0 "[ . 1 . 2]" 1
78 1 14 GLU H 1 14 GLU HG2 3.460 . 3.460 3.147 2.133 3.612 0.152 5 0 "[ . 1 . 2]" 1
79 1 14 GLU HA 1 14 GLU HG2 3.800 . 3.800 2.605 2.438 2.998 . 0 0 "[ . 1 . 2]" 1
80 1 14 GLU HA 1 14 GLU HG3 3.800 . 3.800 3.124 2.814 3.725 . 0 0 "[ . 1 . 2]" 1
81 1 29 THR MG 1 52 ILE HB 4.910 . 4.910 2.772 2.406 3.443 . 0 0 "[ . 1 . 2]" 1
82 1 29 THR HA 1 52 ILE HB 3.980 . 3.980 4.741 4.530 4.880 0.900 11 20 [*-********+*********] 1
83 1 15 ALA H 1 15 ALA MB 3.310 . 3.310 2.126 2.046 2.199 . 0 0 "[ . 1 . 2]" 1
84 1 15 ALA MB 1 16 PHE HB2 5.120 . 5.120 4.438 4.335 4.539 . 0 0 "[ . 1 . 2]" 1
85 1 14 GLU HB2 1 15 ALA MB 4.100 . 4.100 3.795 3.722 3.862 . 0 0 "[ . 1 . 2]" 1
86 1 15 ALA MB 1 27 ILE MD 5.500 . 5.500 4.672 4.371 4.889 . 0 0 "[ . 1 . 2]" 1
87 1 13 LYS HA 1 16 PHE HB2 4.810 . 4.810 3.846 3.703 4.086 . 0 0 "[ . 1 . 2]" 1
88 1 16 PHE HB3 1 17 SER H 4.600 . 4.600 2.747 2.585 2.825 . 0 0 "[ . 1 . 2]" 1
89 1 72 MET HA 1 72 MET QG 3.930 . 3.930 3.383 3.263 3.448 . 0 0 "[ . 1 . 2]" 1
90 1 71 MET QG 1 72 MET HA 3.640 . 3.640 3.307 3.114 3.730 0.090 8 0 "[ . 1 . 2]" 1
91 1 18 LEU H 1 18 LEU MD1 4.670 . 4.670 3.563 3.525 3.626 . 0 0 "[ . 1 . 2]" 1
92 1 14 GLU HA 1 18 LEU MD1 5.020 . 5.020 4.627 4.128 4.812 . 0 0 "[ . 1 . 2]" 1
93 1 15 ALA MB 1 18 LEU MD1 4.050 . 4.050 3.543 3.422 3.625 . 0 0 "[ . 1 . 2]" 1
94 1 19 PHE HB2 1 27 ILE MG 3.560 . 3.560 3.025 2.665 3.212 . 0 0 "[ . 1 . 2]" 1
95 1 19 PHE HB2 1 20 ASP H 4.390 . 4.390 2.426 2.205 2.651 . 0 0 "[ . 1 . 2]" 1
96 1 19 PHE H 1 20 ASP HB3 5.260 . 5.260 5.035 4.776 5.130 . 0 0 "[ . 1 . 2]" 1
97 1 17 SER HA 1 20 ASP HB2 4.390 . 4.390 3.978 3.656 4.201 . 0 0 "[ . 1 . 2]" 1
98 1 17 SER HA 1 20 ASP HB3 4.390 . 4.390 3.088 2.719 3.308 . 0 0 "[ . 1 . 2]" 1
99 1 20 ASP HB3 1 27 ILE HG12 5.500 . 5.500 4.463 4.253 4.646 . 0 0 "[ . 1 . 2]" 1
100 1 20 ASP HB2 1 27 ILE HG12 5.500 . 5.500 3.009 2.814 3.203 . 0 0 "[ . 1 . 2]" 1
101 1 20 ASP HB2 1 27 ILE HG13 5.500 . 5.500 3.074 2.896 3.250 . 0 0 "[ . 1 . 2]" 1
102 1 20 ASP HB3 1 27 ILE HG13 5.500 . 5.500 4.811 4.605 4.989 . 0 0 "[ . 1 . 2]" 1
103 1 21 LYS HA 1 21 LYS HG2 3.480 . 3.480 3.287 2.974 3.424 . 0 0 "[ . 1 . 2]" 1
104 1 23 GLY HA2 1 25 GLY H 5.500 . 5.500 3.200 3.108 3.508 . 0 0 "[ . 1 . 2]" 1
105 1 23 GLY HA3 1 25 GLY H 5.500 . 5.500 4.420 4.305 4.749 . 0 0 "[ . 1 . 2]" 1
106 1 22 ASP H 1 24 ASP QB 5.500 . 5.500 5.555 5.316 5.951 0.451 14 0 "[ . 1 . 2]" 1
107 1 26 THR HB 1 62 THR HB 3.120 . 3.120 2.320 2.235 2.603 . 0 0 "[ . 1 . 2]" 1
108 1 26 THR HB 1 62 THR MG 3.430 . 3.430 3.333 2.961 3.514 0.084 15 0 "[ . 1 . 2]" 1
109 1 26 THR HB 1 27 ILE H 3.890 . 3.890 2.558 2.249 2.883 . 0 0 "[ . 1 . 2]" 1
110 1 26 THR HA 1 63 ILE HB 5.500 . 5.500 5.278 4.644 5.626 0.126 6 0 "[ . 1 . 2]" 1
111 1 26 THR HA 1 27 ILE HB 4.880 . 4.880 4.594 4.534 4.699 . 0 0 "[ . 1 . 2]" 1
112 1 26 THR HA 1 26 THR MG . . 3.530 2.247 2.214 2.350 . 0 0 "[ . 1 . 2]" 1
113 1 26 THR MG 1 63 ILE H 4.660 . 4.660 4.466 3.643 4.725 0.065 14 0 "[ . 1 . 2]" 1
114 1 26 THR H 1 26 THR MG 3.760 . 3.760 3.303 2.936 3.535 . 0 0 "[ . 1 . 2]" 1
115 1 26 THR MG 1 62 THR H 5.500 . 5.500 5.748 5.665 5.969 0.469 20 0 "[ . 1 . 2]" 1
116 1 26 THR MG 1 64 ASP HA 4.070 . 4.070 2.617 2.293 3.102 . 0 0 "[ . 1 . 2]" 1
117 1 26 THR MG 1 62 THR HB 3.890 . 3.890 3.411 2.653 3.807 . 0 0 "[ . 1 . 2]" 1
118 1 27 ILE HB 1 63 ILE H 5.500 . 5.500 2.975 2.682 3.210 . 0 0 "[ . 1 . 2]" 1
119 1 27 ILE HB 1 32 LEU QD 5.330 . 5.330 5.044 4.858 5.211 . 0 0 "[ . 1 . 2]" 1
120 1 19 PHE HB2 1 27 ILE HG12 5.500 . 5.500 2.312 2.281 2.356 . 0 0 "[ . 1 . 2]" 1
121 1 19 PHE HB3 1 27 ILE HG12 5.500 . 5.500 2.771 2.389 3.466 . 0 0 "[ . 1 . 2]" 1
122 1 12 PHE QD 1 69 LEU HG 5.500 . 5.500 4.188 3.513 4.829 . 0 0 "[ . 1 . 2]" 1
123 1 16 PHE QE 1 27 ILE HG13 5.500 . 5.500 3.524 3.077 3.936 . 0 0 "[ . 1 . 2]" 1
124 1 27 ILE H 1 27 ILE HG13 5.040 . 5.040 2.796 2.549 3.043 . 0 0 "[ . 1 . 2]" 1
125 1 19 PHE HB2 1 27 ILE HG13 5.500 . 5.500 3.678 3.563 3.957 . 0 0 "[ . 1 . 2]" 1
126 1 27 ILE MD 1 27 ILE MG 3.040 . 3.040 1.883 1.819 1.973 . 0 0 "[ . 1 . 2]" 1
127 1 27 ILE HB 1 27 ILE MD 3.680 . 3.680 2.292 2.254 2.354 . 0 0 "[ . 1 . 2]" 1
128 1 27 ILE MD 1 63 ILE HB 3.990 . 3.990 2.890 2.375 3.194 . 0 0 "[ . 1 . 2]" 1
129 1 19 PHE HB2 1 27 ILE MD 3.710 . 3.710 2.144 2.055 2.645 . 0 0 "[ . 1 . 2]" 1
130 1 16 PHE HB2 1 27 ILE MD 3.880 . 3.880 3.355 3.164 3.567 . 0 0 "[ . 1 . 2]" 1
131 1 19 PHE HB3 1 27 ILE MD 4.160 . 4.160 2.704 2.358 3.496 . 0 0 "[ . 1 . 2]" 1
132 1 16 PHE HA 1 27 ILE MD 4.230 . 4.230 2.267 2.218 2.434 . 0 0 "[ . 1 . 2]" 1
133 1 17 SER HA 1 27 ILE MD 5.500 . 5.500 5.529 5.240 5.662 0.162 19 0 "[ . 1 . 2]" 1
134 1 27 ILE MD 1 68 PHE HA 5.270 . 5.270 5.042 4.379 5.587 0.317 19 0 "[ . 1 . 2]" 1
135 1 19 PHE HA 1 27 ILE MD 4.790 . 4.790 4.546 4.349 5.133 0.343 19 0 "[ . 1 . 2]" 1
136 1 26 THR HA 1 27 ILE MD 5.500 . 5.500 4.724 4.577 4.825 . 0 0 "[ . 1 . 2]" 1
137 1 27 ILE MD 1 64 ASP HA 5.500 . 5.500 5.448 4.820 5.790 0.290 7 0 "[ . 1 . 2]" 1
138 1 19 PHE QD 1 27 ILE MD 3.620 . 3.620 2.422 2.152 2.605 . 0 0 "[ . 1 . 2]" 1
139 1 19 PHE QE 1 27 ILE MD 4.310 . 4.310 4.084 3.794 4.304 . 0 0 "[ . 1 . 2]" 1
140 1 20 ASP H 1 27 ILE MD 4.070 . 4.070 3.466 3.287 3.690 . 0 0 "[ . 1 . 2]" 1
141 1 17 SER H 1 27 ILE MD 5.090 . 5.090 5.219 5.093 5.345 0.255 18 0 "[ . 1 . 2]" 1
142 1 16 PHE H 1 27 ILE MD 4.950 . 4.950 4.721 4.608 4.894 . 0 0 "[ . 1 . 2]" 1
143 1 27 ILE MD 1 63 ILE H 4.980 . 4.980 4.575 4.198 4.762 . 0 0 "[ . 1 . 2]" 1
144 1 27 ILE H 1 27 ILE MD . . 4.400 3.787 3.605 3.957 . 0 0 "[ . 1 . 2]" 1
145 1 27 ILE MG 1 32 LEU QD 3.670 . 3.670 3.061 2.918 3.195 . 0 0 "[ . 1 . 2]" 1
146 1 27 ILE MG 1 32 LEU QB 3.340 . 3.340 2.450 2.240 2.642 . 0 0 "[ . 1 . 2]" 1
147 1 27 ILE MG 1 31 GLU HB2 3.890 . 3.890 2.813 2.508 3.023 . 0 0 "[ . 1 . 2]" 1
148 1 19 PHE HB3 1 27 ILE MG 3.670 . 3.670 2.263 2.072 2.544 . 0 0 "[ . 1 . 2]" 1
149 1 27 ILE MG 1 29 THR HA 4.930 . 4.930 4.575 4.427 4.801 . 0 0 "[ . 1 . 2]" 1
150 1 27 ILE MG 1 32 LEU HA 4.230 . 4.230 3.767 3.597 3.948 . 0 0 "[ . 1 . 2]" 1
151 1 19 PHE HA 1 27 ILE MG 5.260 . 5.260 4.170 3.851 4.518 . 0 0 "[ . 1 . 2]" 1
152 1 26 THR HA 1 27 ILE MG 5.500 . 5.500 5.465 5.436 5.491 . 0 0 "[ . 1 . 2]" 1
153 1 27 ILE H 1 27 ILE MG 4.550 . 4.550 3.803 3.761 3.856 . 0 0 "[ . 1 . 2]" 1
154 1 28 THR MG 1 31 GLU HB2 4.390 . 4.390 3.677 2.221 4.268 . 0 0 "[ . 1 . 2]" 1
155 1 28 THR MG 1 30 LYS HE2 5.490 . 5.490 5.049 3.005 5.513 0.023 3 0 "[ . 1 . 2]" 1
156 1 28 THR MG 1 30 LYS HE3 5.490 . 5.490 4.913 2.716 5.657 0.167 18 0 "[ . 1 . 2]" 1
157 1 34 THR MG 1 35 VAL HA 4.500 . 4.500 3.547 3.397 3.767 . 0 0 "[ . 1 . 2]" 1
158 1 28 THR MG 1 30 LYS HA 4.380 . 4.380 4.254 3.829 4.424 0.044 14 0 "[ . 1 . 2]" 1
159 1 34 THR HA 1 34 THR MG 3.250 . 3.250 2.325 2.271 2.366 . 0 0 "[ . 1 . 2]" 1
160 1 5 THR HA 1 5 THR MG 3.340 . 3.340 2.966 2.225 3.213 . 0 0 "[ . 1 . 2]" 1
161 1 28 THR H 1 28 THR MG 3.730 . 3.730 3.441 2.029 3.908 0.178 8 0 "[ . 1 . 2]" 1
162 1 34 THR MG 1 35 VAL H 4.230 . 4.230 3.415 3.262 3.621 . 0 0 "[ . 1 . 2]" 1
163 1 29 THR HA 1 32 LEU QB 3.530 . 3.530 3.240 2.948 3.909 0.379 5 0 "[ . 1 . 2]" 1
164 1 29 THR HA 1 52 ILE QG 4.880 . 4.880 4.265 3.394 4.568 . 0 0 "[ . 1 . 2]" 1
165 1 29 THR HA 1 52 ILE MD 3.380 . 3.380 2.308 2.137 2.526 . 0 0 "[ . 1 . 2]" 1
166 1 29 THR HB 1 52 ILE MD 3.750 . 3.750 3.644 3.047 4.011 0.261 12 0 "[ . 1 . 2]" 1
167 1 29 THR HB 1 30 LYS H 5.030 . 5.030 3.630 2.558 3.888 . 0 0 "[ . 1 . 2]" 1
168 1 61 GLY HA2 1 62 THR MG 4.880 . 4.880 4.183 3.506 4.293 . 0 0 "[ . 1 . 2]" 1
169 1 61 GLY HA3 1 62 THR MG 4.880 . 4.880 3.428 3.158 3.538 . 0 0 "[ . 1 . 2]" 1
170 1 28 THR HA 1 62 THR MG 3.200 . 3.200 2.847 2.291 3.357 0.157 13 0 "[ . 1 . 2]" 1
171 1 62 THR H 1 62 THR MG 3.860 . 3.860 2.715 2.378 2.898 . 0 0 "[ . 1 . 2]" 1
172 1 62 THR MG 1 63 ILE H 4.030 . 4.030 3.882 3.687 4.086 0.056 13 0 "[ . 1 . 2]" 1
173 1 29 THR H 1 29 THR MG . . 3.890 1.967 1.704 3.710 . 0 0 "[ . 1 . 2]" 1
174 1 27 ILE H 1 62 THR MG 5.500 . 5.500 4.546 4.169 4.948 . 0 0 "[ . 1 . 2]" 1
175 1 30 LYS H 1 30 LYS HG2 3.950 . 3.950 3.570 3.411 4.383 0.433 15 0 "[ . 1 . 2]" 1
176 1 30 LYS HA 1 30 LYS HD2 5.500 . 5.500 4.609 4.221 4.757 . 0 0 "[ . 1 . 2]" 1
177 1 30 LYS HA 1 30 LYS HD3 5.500 . 5.500 4.404 4.215 4.714 . 0 0 "[ . 1 . 2]" 1
178 1 27 ILE MG 1 31 GLU HB3 4.620 . 4.620 3.164 2.533 3.524 . 0 0 "[ . 1 . 2]" 1
179 1 31 GLU HA 1 31 GLU HG3 3.980 . 3.980 2.758 2.535 2.850 . 0 0 "[ . 1 . 2]" 1
180 1 21 LYS QD 1 31 GLU HG2 4.740 . 4.740 4.632 4.317 4.827 0.087 7 0 "[ . 1 . 2]" 1
181 1 21 LYS HG3 1 31 GLU HG3 5.500 . 5.500 5.068 4.633 5.451 . 0 0 "[ . 1 . 2]" 1
182 1 28 THR MG 1 31 GLU HG3 4.840 . 4.840 3.398 2.071 3.969 . 0 0 "[ . 1 . 2]" 1
183 1 28 THR MG 1 31 GLU HG2 5.500 . 5.500 4.828 3.376 5.405 . 0 0 "[ . 1 . 2]" 1
184 1 27 ILE MG 1 31 GLU HG3 5.500 . 5.500 4.892 4.670 5.157 . 0 0 "[ . 1 . 2]" 1
185 1 31 GLU H 1 31 GLU HG3 4.090 . 4.090 2.409 2.292 2.697 . 0 0 "[ . 1 . 2]" 1
186 1 31 GLU H 1 31 GLU HG2 4.350 . 4.350 3.689 3.581 3.968 . 0 0 "[ . 1 . 2]" 1
187 1 28 THR H 1 31 GLU HG3 4.570 . 4.570 3.490 3.150 3.757 . 0 0 "[ . 1 . 2]" 1
188 1 31 GLU HG3 1 32 LEU H 5.500 . 5.500 4.386 4.310 4.529 . 0 0 "[ . 1 . 2]" 1
189 1 31 GLU HG2 1 32 LEU H 5.500 . 5.500 4.833 4.767 4.900 . 0 0 "[ . 1 . 2]" 1
190 1 32 LEU HA 1 34 THR H 4.630 . 4.630 4.298 4.125 4.374 . 0 0 "[ . 1 . 2]" 1
191 1 32 LEU HA 1 35 VAL QG 3.860 . 3.860 2.754 2.671 2.881 . 0 0 "[ . 1 . 2]" 1
192 1 32 LEU QB 1 52 ILE QG 5.500 . 5.500 4.643 4.181 4.935 . 0 0 "[ . 1 . 2]" 1
193 1 69 LEU HB3 1 69 LEU QD 2.980 . 2.980 2.139 2.099 2.205 . 0 0 "[ . 1 . 2]" 1
194 1 8 GLN HB3 1 69 LEU QD 5.050 . 5.050 4.482 2.990 5.196 0.146 19 0 "[ . 1 . 2]" 1
195 1 69 LEU HA 1 69 LEU QD 3.800 . 3.800 2.922 2.034 3.182 . 0 0 "[ . 1 . 2]" 1
196 1 9 ILE HA 1 69 LEU QD 3.750 . 3.750 2.760 2.344 3.407 . 0 0 "[ . 1 . 2]" 1
197 1 12 PHE HB2 1 69 LEU QD 4.300 . 4.300 3.252 2.320 4.054 . 0 0 "[ . 1 . 2]" 1
198 1 66 PRO HA 1 69 LEU QD . . 3.930 3.224 2.828 3.796 . 0 0 "[ . 1 . 2]" 1
199 1 69 LEU QD 1 70 THR HA . . 3.480 2.647 2.243 2.896 . 0 0 "[ . 1 . 2]" 1
200 1 69 LEU QD 1 70 THR H . . 4.530 2.844 2.352 3.106 . 0 0 "[ . 1 . 2]" 1
201 1 9 ILE H 1 69 LEU QD 5.210 . 5.210 4.589 3.717 5.031 . 0 0 "[ . 1 . 2]" 1
202 1 12 PHE H 1 69 LEU QD 5.090 . 5.090 4.307 3.724 4.927 . 0 0 "[ . 1 . 2]" 1
203 1 69 LEU H 1 69 LEU QD . . 4.230 3.641 3.570 3.681 . 0 0 "[ . 1 . 2]" 1
204 1 70 THR MG 1 71 MET HA 3.910 . 3.910 3.219 2.884 3.537 . 0 0 "[ . 1 . 2]" 1
205 1 69 LEU QD 1 70 THR MG 4.420 . 4.420 3.797 3.495 4.274 . 0 0 "[ . 1 . 2]" 1
206 1 36 MET H 1 36 MET HB3 4.090 . 4.090 3.617 3.590 3.639 . 0 0 "[ . 1 . 2]" 1
207 1 36 MET HA 1 39 LEU MD1 3.550 . 3.550 2.395 2.131 2.757 . 0 0 "[ . 1 . 2]" 1
208 1 36 MET HG2 1 39 LEU MD1 5.500 . 5.500 4.046 3.567 4.525 . 0 0 "[ . 1 . 2]" 1
209 1 35 VAL HB 1 39 LEU MD1 4.320 . 4.320 4.078 3.802 4.527 0.207 16 0 "[ . 1 . 2]" 1
210 1 39 LEU HB2 1 39 LEU MD1 3.170 . 3.170 2.245 2.203 2.300 . 0 0 "[ . 1 . 2]" 1
211 1 39 LEU HB3 1 39 LEU MD2 3.340 . 3.340 2.213 2.181 2.226 . 0 0 "[ . 1 . 2]" 1
212 1 36 MET HG3 1 39 LEU MD1 5.500 . 5.500 4.875 4.302 5.577 0.077 2 0 "[ . 1 . 2]" 1
213 1 39 LEU H 1 39 LEU MD2 4.750 . 4.750 3.824 3.737 3.948 . 0 0 "[ . 1 . 2]" 1
214 1 54 GLU H 1 55 VAL MG1 5.500 . 5.500 4.450 4.028 5.738 0.238 19 0 "[ . 1 . 2]" 1
215 1 38 SER H 1 39 LEU MD1 5.180 . 5.180 5.097 5.027 5.160 . 0 0 "[ . 1 . 2]" 1
216 1 55 VAL MG1 1 56 ASP H 4.720 . 4.720 4.049 3.283 4.357 . 0 0 "[ . 1 . 2]" 1
217 1 36 MET H 1 39 LEU MD1 4.260 . 4.260 4.154 3.959 4.294 0.034 11 0 "[ . 1 . 2]" 1
218 1 32 LEU QB 1 36 MET HG2 5.500 . 5.500 4.936 4.209 5.699 0.199 17 0 "[ . 1 . 2]" 1
219 1 32 LEU QB 1 36 MET HG3 5.500 . 5.500 4.512 4.179 5.255 . 0 0 "[ . 1 . 2]" 1
220 1 37 ARG HA 1 37 ARG QD 3.880 . 3.880 3.395 2.122 3.837 . 0 0 "[ . 1 . 2]" 1
221 1 37 ARG QD 1 38 SER H 5.500 . 5.500 4.236 2.939 4.789 . 0 0 "[ . 1 . 2]" 1
222 1 37 ARG H 1 37 ARG QD . . 4.670 4.357 4.180 4.439 . 0 0 "[ . 1 . 2]" 1
223 1 52 ILE MG 1 61 GLY H 5.330 . 5.330 4.207 3.701 4.819 . 0 0 "[ . 1 . 2]" 1
224 1 52 ILE MG 1 63 ILE H 4.310 . 4.310 3.925 3.655 4.301 . 0 0 "[ . 1 . 2]" 1
225 1 52 ILE H 1 52 ILE MG 3.940 . 3.940 3.732 3.691 3.779 . 0 0 "[ . 1 . 2]" 1
226 1 52 ILE MG 1 62 THR H 4.130 . 4.130 3.491 1.863 3.968 . 0 0 "[ . 1 . 2]" 1
227 1 28 THR H 1 52 ILE MG 5.500 . 5.500 6.020 5.605 6.547 1.047 15 10 "[** -.** *1 * +* * 2]" 1
228 1 52 ILE MG 1 60 ASN H 5.500 . 5.500 5.921 5.463 6.547 1.047 13 8 "[ . *1**+*.*- *]" 1
229 1 52 ILE MG 1 63 ILE HA 5.500 . 5.500 4.353 4.030 4.648 . 0 0 "[ . 1 . 2]" 1
230 1 52 ILE MG 1 62 THR HA 4.500 . 4.500 2.983 2.425 3.395 . 0 0 "[ . 1 . 2]" 1
231 1 52 ILE MG 1 61 GLY HA3 4.180 . 4.180 3.851 3.421 4.670 0.490 18 0 "[ . 1 . 2]" 1
232 1 52 ILE QG 1 52 ILE MG 3.330 . 3.330 2.350 2.294 2.481 . 0 0 "[ . 1 . 2]" 1
233 1 52 ILE MG 1 63 ILE HG13 3.730 . 3.730 3.536 2.279 3.933 0.203 15 0 "[ . 1 . 2]" 1
234 1 52 ILE MG 1 63 ILE HG12 3.730 . 3.730 2.877 2.401 3.394 . 0 0 "[ . 1 . 2]" 1
235 1 52 ILE MG 1 61 GLY HA2 4.180 . 4.180 2.776 2.387 3.324 . 0 0 "[ . 1 . 2]" 1
236 1 60 ASN H 1 61 GLY HA3 5.030 . 5.030 5.063 4.498 5.158 0.128 5 0 "[ . 1 . 2]" 1
237 1 60 ASN H 1 61 GLY HA2 5.030 . 5.030 4.702 4.200 4.830 . 0 0 "[ . 1 . 2]" 1
238 1 32 LEU QB 1 35 VAL HB 5.220 . 5.220 4.482 4.308 4.587 . 0 0 "[ . 1 . 2]" 1
239 1 33 GLY QA 1 35 VAL HB 5.500 . 5.500 5.038 4.910 5.164 . 0 0 "[ . 1 . 2]" 1
240 1 32 LEU HA 1 35 VAL HB 4.200 . 4.200 2.757 2.635 2.947 . 0 0 "[ . 1 . 2]" 1
241 1 19 PHE HA 1 35 VAL HB 5.500 . 5.500 4.299 3.986 4.434 . 0 0 "[ . 1 . 2]" 1
242 1 19 PHE QE 1 35 VAL HB 4.050 . 4.050 3.709 3.114 4.291 0.241 14 0 "[ . 1 . 2]" 1
243 1 35 VAL HB 1 37 ARG H 5.500 . 5.500 5.062 4.849 5.252 . 0 0 "[ . 1 . 2]" 1
244 1 42 ASN HB2 1 43 PRO HD2 4.700 . 4.700 3.819 2.308 4.918 0.218 16 0 "[ . 1 . 2]" 1
245 1 42 ASN HB2 1 43 PRO HD3 4.700 . 4.700 4.491 3.174 4.936 0.236 11 0 "[ . 1 . 2]" 1
246 1 42 ASN HB3 1 43 PRO HD2 4.700 . 4.700 3.339 2.274 4.831 0.131 2 0 "[ . 1 . 2]" 1
247 1 42 ASN HB3 1 43 PRO HD3 4.700 . 4.700 4.109 2.378 4.830 0.130 8 0 "[ . 1 . 2]" 1
248 1 73 ALA MB 1 74 ARG H 3.520 . 3.520 3.253 2.104 3.721 0.201 19 0 "[ . 1 . 2]" 1
249 1 46 ALA MB 1 47 GLU HA 4.020 . 4.020 3.814 3.775 3.870 . 0 0 "[ . 1 . 2]" 1
250 1 70 THR HB 1 73 ALA MB 5.050 . 5.050 5.202 5.064 5.620 0.570 19 1 "[ . 1 . +2]" 1
251 1 69 LEU HA 1 73 ALA MB 5.500 . 5.500 4.541 3.302 5.265 . 0 0 "[ . 1 . 2]" 1
252 1 46 ALA MB 1 49 GLN QB 5.300 . 5.300 3.809 3.675 3.982 . 0 0 "[ . 1 . 2]" 1
253 1 4 LEU QD 1 73 ALA MB . . 3.480 3.389 1.947 5.404 1.924 16 3 "[ . 1- .+ *]" 1
254 1 49 GLN H 1 49 GLN QB . . 3.710 2.383 2.318 2.466 . 0 0 "[ . 1 . 2]" 1
255 1 49 GLN QB 1 52 ILE MD 5.500 . 5.500 5.278 4.965 5.672 0.172 18 0 "[ . 1 . 2]" 1
256 1 7 GLU H 1 7 GLU HG2 4.780 . 4.780 3.411 1.723 4.619 . 0 0 "[ . 1 . 2]" 1
257 1 7 GLU H 1 7 GLU HG3 4.780 . 4.780 3.813 1.761 4.486 . 0 0 "[ . 1 . 2]" 1
258 1 7 GLU HG2 1 8 GLN H 4.800 . 4.800 2.998 1.736 4.148 . 0 0 "[ . 1 . 2]" 1
259 1 7 GLU HG3 1 8 GLN H 4.800 . 4.800 3.336 1.692 4.230 . 0 0 "[ . 1 . 2]" 1
260 1 7 GLU HA 1 7 GLU HG2 3.590 . 3.590 3.451 3.096 3.798 0.208 6 0 "[ . 1 . 2]" 1
261 1 49 GLN HA 1 52 ILE MG 5.320 . 5.320 4.322 4.083 4.760 . 0 0 "[ . 1 . 2]" 1
262 1 47 GLU HA 1 50 ASP QB . . 3.660 3.042 2.781 3.353 . 0 0 "[ . 1 . 2]" 1
263 1 71 MET ME 1 72 MET QB 4.070 . 4.070 5.044 4.516 5.378 1.308 8 19 "[* *-***+************]" 1
264 1 72 MET QB 1 72 MET ME 4.320 . 4.320 2.771 2.107 3.649 . 0 0 "[ . 1 . 2]" 1
265 1 68 PHE HB3 1 71 MET ME 4.760 . 4.760 4.664 4.255 4.905 0.145 11 0 "[ . 1 . 2]" 1
266 1 69 LEU HA 1 72 MET ME 4.930 . 4.930 3.538 2.330 4.628 . 0 0 "[ . 1 . 2]" 1
267 1 12 PHE HB2 1 72 MET ME 3.980 . 3.980 2.842 2.070 4.363 0.383 12 0 "[ . 1 . 2]" 1
268 1 71 MET ME 1 72 MET HA 5.170 . 5.170 5.989 5.555 6.347 1.177 8 19 "[* *-***+************]" 1
269 1 72 MET HA 1 72 MET ME 5.500 . 5.500 4.618 3.936 5.243 . 0 0 "[ . 1 . 2]" 1
270 1 68 PHE QD 1 71 MET ME 4.050 . 4.050 3.977 2.667 4.236 0.186 19 0 "[ . 1 . 2]" 1
271 1 71 MET ME 1 72 MET H 4.590 . 4.590 4.590 4.218 4.802 0.212 20 0 "[ . 1 . 2]" 1
272 1 15 ALA HA 1 18 LEU HG 3.940 . 3.940 3.397 3.141 3.544 . 0 0 "[ . 1 . 2]" 1
273 1 50 ASP QB 1 51 MET ME . . 3.820 3.771 2.475 4.187 0.367 18 0 "[ . 1 . 2]" 1
274 1 50 ASP H 1 50 ASP QB . . 3.470 2.254 2.217 2.285 . 0 0 "[ . 1 . 2]" 1
275 1 63 ILE HA 1 63 ILE MG 3.610 . 3.610 2.287 2.226 2.359 . 0 0 "[ . 1 . 2]" 1
276 1 63 ILE MG 1 68 PHE QD 3.630 . 3.630 2.909 2.294 3.371 . 0 0 "[ . 1 . 2]" 1
277 1 63 ILE MG 1 64 ASP HA 4.630 . 4.630 4.174 3.926 4.408 . 0 0 "[ . 1 . 2]" 1
278 1 63 ILE MG 1 68 PHE HA 4.100 . 4.100 2.879 2.339 3.333 . 0 0 "[ . 1 . 2]" 1
279 1 63 ILE MG 1 68 PHE HB3 4.040 . 4.040 3.640 3.371 3.856 . 0 0 "[ . 1 . 2]" 1
280 1 63 ILE MG 1 68 PHE HB2 4.040 . 4.040 2.332 2.095 2.577 . 0 0 "[ . 1 . 2]" 1
281 1 27 ILE HB 1 63 ILE MG 4.030 . 4.030 3.891 3.751 3.997 . 0 0 "[ . 1 . 2]" 1
282 1 63 ILE MG 1 71 MET QG 4.290 . 4.290 3.945 3.513 5.088 0.798 19 2 "[ . - 1 . +2]" 1
283 1 63 ILE MD 1 63 ILE MG 2.890 . 2.890 1.846 1.793 1.925 . 0 0 "[ . 1 . 2]" 1
284 1 55 VAL MG1 1 63 ILE MG 4.750 . 4.750 4.871 2.624 5.649 0.899 15 8 "[ * . *1*- +* * *]" 1
285 1 27 ILE MD 1 63 ILE MG 3.810 . 3.810 3.365 3.086 3.585 . 0 0 "[ . 1 . 2]" 1
286 1 63 ILE MG 1 68 PHE H 3.740 . 3.740 2.604 2.431 2.823 . 0 0 "[ . 1 . 2]" 1
287 1 63 ILE MG 1 69 LEU H 4.870 . 4.870 4.726 4.451 4.976 0.106 19 0 "[ . 1 . 2]" 1
288 1 27 ILE H 1 63 ILE MG 5.050 . 5.050 4.649 4.239 4.953 . 0 0 "[ . 1 . 2]" 1
289 1 73 ALA HA 1 75 LYS H 5.360 . 5.360 3.630 2.843 4.935 . 0 0 "[ . 1 . 2]" 1
290 1 57 ALA H 1 57 ALA MB 3.240 . 3.240 2.405 2.190 2.989 . 0 0 "[ . 1 . 2]" 1
291 1 57 ALA MB 1 59 GLY H 4.970 . 4.970 4.071 3.728 4.329 . 0 0 "[ . 1 . 2]" 1
292 1 65 PHE QD 1 66 PRO HD2 5.110 . 5.110 3.764 2.334 4.207 . 0 0 "[ . 1 . 2]" 1
293 1 65 PHE QD 1 66 PRO HD3 5.110 . 5.110 3.318 2.245 4.197 . 0 0 "[ . 1 . 2]" 1
294 1 62 THR HB 1 63 ILE H 3.800 . 3.800 2.640 2.376 3.034 . 0 0 "[ . 1 . 2]" 1
295 1 52 ILE MD 1 63 ILE HB 5.500 . 5.500 4.701 4.513 5.028 . 0 0 "[ . 1 . 2]" 1
296 1 63 ILE HB 1 71 MET ME 5.500 . 5.500 4.316 3.789 5.827 0.327 19 0 "[ . 1 . 2]" 1
297 1 27 ILE MG 1 63 ILE HB 4.010 . 4.010 3.582 3.329 3.850 . 0 0 "[ . 1 . 2]" 1
298 1 27 ILE HB 1 63 ILE HB 3.720 . 3.720 2.295 2.262 2.364 . 0 0 "[ . 1 . 2]" 1
299 1 29 THR MG 1 52 ILE MG 3.270 . 3.270 2.884 2.656 4.028 0.758 15 1 "[ . 1 + 2]" 1
300 1 63 ILE HA 1 63 ILE MD 3.930 . 3.930 2.264 2.065 3.806 . 0 0 "[ . 1 . 2]" 1
301 1 28 THR HA 1 63 ILE MD 5.500 . 5.500 5.410 4.805 5.626 0.126 18 0 "[ . 1 . 2]" 1
302 1 62 THR HA 1 63 ILE MD 4.480 . 4.480 3.666 3.400 4.587 0.107 7 0 "[ . 1 . 2]" 1
303 1 52 ILE MG 1 63 ILE MD 3.090 . 3.090 2.171 2.011 3.196 0.106 5 0 "[ . 1 . 2]" 1
304 1 55 VAL H 1 63 ILE MD 4.550 . 4.550 4.576 4.122 5.272 0.722 5 3 "[ + - 1 . * 2]" 1
305 1 63 ILE MD 1 64 ASP H 4.080 . 4.080 3.852 3.629 4.979 0.899 7 2 "[ - + 1 . 2]" 1
306 1 27 ILE H 1 63 ILE MD 5.080 . 5.080 5.254 4.963 5.405 0.325 1 0 "[ . 1 . 2]" 1
307 1 26 THR HB 1 64 ASP HA 4.840 . 4.840 4.494 3.979 5.135 0.295 20 0 "[ . 1 . 2]" 1
308 1 52 ILE HA 1 52 ILE MG 3.530 . 3.530 2.480 2.387 2.529 . 0 0 "[ . 1 . 2]" 1
309 1 52 ILE HA 1 63 ILE MD 3.430 . 3.430 2.649 2.308 3.190 . 0 0 "[ . 1 . 2]" 1
310 1 69 LEU HA 1 72 MET QG . . 3.230 2.418 2.072 2.903 . 0 0 "[ . 1 . 2]" 1
311 1 69 LEU HA 1 72 MET QB 4.100 . 4.100 3.779 3.068 3.982 . 0 0 "[ . 1 . 2]" 1
312 1 68 PHE QD 1 69 LEU HA 4.860 . 4.860 2.677 2.465 2.842 . 0 0 "[ . 1 . 2]" 1
313 1 12 PHE QD 1 69 LEU HA 4.660 . 4.660 3.604 3.068 3.964 . 0 0 "[ . 1 . 2]" 1
314 1 69 LEU HA 1 72 MET H 4.280 . 4.280 4.123 3.566 4.310 0.030 8 0 "[ . 1 . 2]" 1
315 1 68 PHE HA 1 68 PHE QD 3.450 . 3.450 3.026 2.960 3.060 . 0 0 "[ . 1 . 2]" 1
316 1 68 PHE HA 1 68 PHE QE 4.810 . 4.810 4.611 4.532 4.715 . 0 0 "[ . 1 . 2]" 1
317 1 69 LEU QD 1 70 THR HB 4.010 . 4.010 4.109 3.964 4.320 0.310 8 0 "[ . 1 . 2]" 1
318 1 70 THR HB 1 71 MET QG 4.800 . 4.800 4.290 3.414 4.869 0.069 2 0 "[ . 1 . 2]" 1
319 1 69 LEU H 1 70 THR HB 4.990 . 4.990 4.998 4.574 5.128 0.138 12 0 "[ . 1 . 2]" 1
320 1 16 PHE HA 1 16 PHE QD 3.890 . 3.890 2.936 2.675 3.190 . 0 0 "[ . 1 . 2]" 1
321 1 16 PHE HA 1 19 PHE QE 4.250 . 4.250 4.117 4.056 4.201 . 0 0 "[ . 1 . 2]" 1
322 1 15 ALA H 1 16 PHE HA 5.500 . 5.500 5.338 5.297 5.408 . 0 0 "[ . 1 . 2]" 1
323 1 12 PHE HB2 1 69 LEU HB2 5.500 . 5.500 3.274 2.700 3.912 . 0 0 "[ . 1 . 2]" 1
324 1 12 PHE HB2 1 69 LEU HB3 5.500 . 5.500 4.797 4.392 5.246 . 0 0 "[ . 1 . 2]" 1
325 1 69 LEU HB3 1 70 THR HB 5.500 . 5.500 5.078 4.845 5.244 . 0 0 "[ . 1 . 2]" 1
326 1 66 PRO HA 1 69 LEU HB2 4.680 . 4.680 3.806 3.297 4.500 . 0 0 "[ . 1 . 2]" 1
327 1 12 PHE HZ 1 69 LEU HB3 5.500 . 5.500 5.132 4.220 5.508 0.008 16 0 "[ . 1 . 2]" 1
328 1 12 PHE HZ 1 69 LEU HB2 5.500 . 5.500 4.267 3.673 4.870 . 0 0 "[ . 1 . 2]" 1
329 1 68 PHE QD 1 69 LEU HB2 5.500 . 5.500 3.790 3.134 4.317 . 0 0 "[ . 1 . 2]" 1
330 1 12 PHE QD 1 69 LEU HB2 5.500 . 5.500 3.043 2.891 3.212 . 0 0 "[ . 1 . 2]" 1
331 1 12 PHE QE 1 69 LEU HB3 4.300 . 4.300 4.475 3.934 4.670 0.370 6 0 "[ . 1 . 2]" 1
332 1 69 LEU HB2 1 70 THR H 4.310 . 4.310 4.115 3.781 4.241 . 0 0 "[ . 1 . 2]" 1
333 1 69 LEU H 1 69 LEU HG 4.920 . 4.920 4.474 4.428 4.626 . 0 0 "[ . 1 . 2]" 1
334 1 70 THR HA 1 70 THR MG 3.340 . 3.340 2.326 2.241 2.573 . 0 0 "[ . 1 . 2]" 1
335 1 18 LEU HA 1 18 LEU MD1 3.970 . 3.970 3.804 3.790 3.817 . 0 0 "[ . 1 . 2]" 1
336 1 18 LEU HA 1 18 LEU HG 4.040 . 4.040 2.870 2.746 2.990 . 0 0 "[ . 1 . 2]" 1
337 1 76 MET H 1 76 MET HB3 4.110 . 4.110 3.471 2.614 4.012 . 0 0 "[ . 1 . 2]" 1
338 1 76 MET H 1 76 MET HB2 4.110 . 4.110 2.774 2.286 3.694 . 0 0 "[ . 1 . 2]" 1
339 1 14 GLU HB2 1 15 ALA H 4.040 . 4.040 2.304 2.252 2.384 . 0 0 "[ . 1 . 2]" 1
340 1 71 MET QG 1 72 MET QB 4.540 . 4.540 3.050 2.813 3.189 . 0 0 "[ . 1 . 2]" 1
341 1 68 PHE QE 1 72 MET QB 4.190 . 4.190 3.220 2.671 3.841 . 0 0 "[ . 1 . 2]" 1
342 1 68 PHE QD 1 72 MET QB 5.500 . 5.500 3.500 2.931 4.278 . 0 0 "[ . 1 . 2]" 1
343 1 72 MET QB 1 73 ALA H 5.500 . 5.500 3.555 3.410 3.643 . 0 0 "[ . 1 . 2]" 1
344 1 71 MET QG 1 72 MET QG . . 4.820 4.141 3.389 4.464 . 0 0 "[ . 1 . 2]" 1
345 1 12 PHE QD 1 72 MET QG 5.500 . 5.500 4.618 3.862 5.517 0.017 9 0 "[ . 1 . 2]" 1
346 1 68 PHE QE 1 72 MET QG 5.500 . 5.500 3.354 2.396 4.478 . 0 0 "[ . 1 . 2]" 1
347 1 13 LYS H 1 13 LYS HD3 5.500 . 5.500 4.949 4.240 5.927 0.427 12 0 "[ . 1 . 2]" 1
348 1 32 LEU QD 1 48 LEU HG 4.340 . 4.340 2.333 1.960 2.962 . 0 0 "[ . 1 . 2]" 1
349 1 32 LEU QD 1 52 ILE QG 4.540 . 4.540 3.369 2.848 3.728 . 0 0 "[ . 1 . 2]" 1
350 1 32 LEU HG 1 48 LEU HG 3.340 . 3.340 3.410 3.257 3.707 0.367 17 0 "[ . 1 . 2]" 1
351 1 32 LEU QD 1 36 MET HG2 . . 4.110 2.754 2.150 3.746 . 0 0 "[ . 1 . 2]" 1
352 1 32 LEU QD 1 36 MET HG3 . . 4.110 2.592 2.075 3.665 . 0 0 "[ . 1 . 2]" 1
353 1 32 LEU HG 1 33 GLY QA . . 3.660 3.255 3.031 3.529 . 0 0 "[ . 1 . 2]" 1
354 1 32 LEU QD 1 48 LEU HA 4.700 . 4.700 4.014 3.569 4.380 . 0 0 "[ . 1 . 2]" 1
355 1 32 LEU HA 1 32 LEU QD . . 3.480 2.411 2.168 3.361 . 0 0 "[ . 1 . 2]" 1
356 1 38 SER H 1 39 LEU HG 4.570 . 4.570 4.596 4.501 4.721 0.151 12 0 "[ . 1 . 2]" 1
357 1 19 PHE HA 1 32 LEU QD 5.500 . 5.500 4.385 3.878 5.555 0.055 5 0 "[ . 1 . 2]" 1
358 1 32 LEU QD 1 36 MET H 4.030 . 4.030 3.554 3.248 4.632 0.602 5 1 "[ + 1 . 2]" 1
359 1 29 THR MG 1 33 GLY H 5.500 . 5.500 5.340 4.190 5.710 0.210 18 0 "[ . 1 . 2]" 1
360 1 29 THR MG 1 49 GLN H 4.610 . 4.610 3.852 2.913 4.377 . 0 0 "[ . 1 . 2]" 1
361 1 35 VAL H 1 35 VAL QG 3.300 . 3.300 1.974 1.876 2.087 . 0 0 "[ . 1 . 2]" 1
362 1 35 VAL QG 1 36 MET H 3.800 . 3.800 3.242 3.196 3.315 . 0 0 "[ . 1 . 2]" 1
363 1 29 THR MG 1 30 LYS H 4.230 . 4.230 3.682 3.457 3.893 . 0 0 "[ . 1 . 2]" 1
364 1 69 LEU QD 1 71 MET H 4.800 . 4.800 4.845 4.381 5.050 0.250 4 0 "[ . 1 . 2]" 1
365 1 12 PHE QD 1 69 LEU QD 5.040 . 5.040 2.397 2.234 3.213 . 0 0 "[ . 1 . 2]" 1
366 1 69 LEU QD 1 72 MET H 5.500 . 5.500 4.845 3.773 5.511 0.011 8 0 "[ . 1 . 2]" 1
367 1 19 PHE HA 1 35 VAL QG 3.400 . 3.400 2.303 2.151 2.512 . 0 0 "[ . 1 . 2]" 1
368 1 29 THR HA 1 29 THR MG 3.210 . 3.210 2.439 2.282 2.540 . 0 0 "[ . 1 . 2]" 1
369 1 34 THR HA 1 35 VAL QG 5.050 . 5.050 4.739 4.690 4.821 . 0 0 "[ . 1 . 2]" 1
370 1 21 LYS HB2 1 35 VAL QG 5.500 . 5.500 5.018 4.616 5.359 . 0 0 "[ . 1 . 2]" 1
371 1 21 LYS HB3 1 35 VAL QG 5.500 . 5.500 4.866 4.574 5.342 . 0 0 "[ . 1 . 2]" 1
372 1 29 THR MG 1 49 GLN QB 4.470 . 4.470 3.433 3.289 3.517 . 0 0 "[ . 1 . 2]" 1
373 1 29 THR MG 1 52 ILE QG 3.850 . 3.850 3.568 2.551 3.777 . 0 0 "[ . 1 . 2]" 1
374 1 21 LYS QD 1 35 VAL QG 3.520 . 3.520 2.273 1.993 3.147 . 0 0 "[ . 1 . 2]" 1
375 1 54 GLU H 1 55 VAL MG2 5.500 . 5.500 3.749 3.407 4.136 . 0 0 "[ . 1 . 2]" 1
376 1 55 VAL MG2 1 56 ASP H 4.720 . 4.720 3.061 1.581 3.965 . 0 0 "[ . 1 . 2]" 1
377 1 55 VAL H 1 55 VAL MG2 4.560 . 4.560 1.989 1.775 2.238 . 0 0 "[ . 1 . 2]" 1
378 1 55 VAL MG2 1 63 ILE MG 4.750 . 4.750 3.768 3.251 5.276 0.526 5 1 "[ + 1 . 2]" 1
379 1 19 PHE HB2 1 35 VAL QG 5.340 . 5.340 4.649 4.462 4.845 . 0 0 "[ . 1 . 2]" 1
380 1 19 PHE HB3 1 35 VAL QG 5.180 . 5.180 3.843 3.722 3.956 . 0 0 "[ . 1 . 2]" 1
381 1 18 LEU HA 1 35 VAL QG 5.500 . 5.500 4.694 4.462 4.875 . 0 0 "[ . 1 . 2]" 1
382 1 35 VAL QG 1 36 MET HA 3.940 . 3.940 3.480 3.383 3.572 . 0 0 "[ . 1 . 2]" 1
383 1 19 PHE QE 1 35 VAL QG 3.600 . 3.600 2.689 2.320 3.104 . 0 0 "[ . 1 . 2]" 1
384 1 35 VAL QG 1 37 ARG H 5.440 . 5.440 4.675 4.461 4.827 . 0 0 "[ . 1 . 2]" 1
385 1 36 MET HB2 1 36 MET ME 3.740 . 3.740 3.605 3.484 3.830 0.090 5 0 "[ . 1 . 2]" 1
386 1 36 MET HB3 1 36 MET ME 3.740 . 3.740 2.557 2.355 3.711 . 0 0 "[ . 1 . 2]" 1
387 1 36 MET HA 1 36 MET ME 4.450 . 4.450 3.563 2.221 3.736 . 0 0 "[ . 1 . 2]" 1
388 1 32 LEU QD 1 52 ILE MD 4.010 . 4.010 2.688 2.089 3.230 . 0 0 "[ . 1 . 2]" 1
389 1 29 THR MG 1 52 ILE MD 3.260 . 3.260 2.071 1.908 2.276 . 0 0 "[ . 1 . 2]" 1
390 1 32 LEU QB 1 52 ILE MD 3.870 . 3.870 3.155 2.780 3.381 . 0 0 "[ . 1 . 2]" 1
391 1 49 GLN HA 1 52 ILE MD 4.250 . 4.250 3.648 3.313 4.123 . 0 0 "[ . 1 . 2]" 1
392 1 52 ILE HA 1 52 ILE MD 4.640 . 4.640 3.743 3.580 3.799 . 0 0 "[ . 1 . 2]" 1
393 1 28 THR HA 1 52 ILE MD 3.900 . 3.900 3.336 2.710 3.911 0.011 15 0 "[ . 1 . 2]" 1
394 1 52 ILE MD 1 63 ILE HA 5.500 . 5.500 5.606 5.055 5.715 0.215 5 0 "[ . 1 . 2]" 1
395 1 52 ILE H 1 52 ILE MD 4.400 . 4.400 3.665 3.504 3.873 . 0 0 "[ . 1 . 2]" 1
396 1 49 GLN H 1 52 ILE MD 5.420 . 5.420 4.737 4.238 5.496 0.076 18 0 "[ . 1 . 2]" 1
397 1 33 GLY H 1 52 ILE MD 4.440 . 4.440 4.785 4.534 5.285 0.845 18 1 "[ . 1 . + 2]" 1
398 1 52 ILE MD 1 63 ILE H 4.760 . 4.760 4.226 3.653 4.418 . 0 0 "[ . 1 . 2]" 1
399 1 27 ILE H 1 52 ILE MD 5.500 . 5.500 5.867 5.321 6.187 0.687 1 6 "[+* *. - * * 2]" 1
400 1 32 LEU HG 1 35 VAL HB 5.500 . 5.500 4.264 3.842 4.566 . 0 0 "[ . 1 . 2]" 1
401 1 35 VAL HB 1 39 LEU HG 5.500 . 5.500 5.481 5.260 5.615 0.115 8 0 "[ . 1 . 2]" 1
402 1 7 GLU HA 1 7 GLU HG3 3.590 . 3.590 3.133 2.529 4.022 0.432 3 0 "[ . 1 . 2]" 1
403 1 12 PHE HZ 1 69 LEU QD 5.500 . 5.500 4.354 3.243 5.502 0.002 12 0 "[ . 1 . 2]" 1
404 1 5 THR H 1 8 GLN HB3 4.490 . 4.490 3.279 2.395 4.495 0.005 14 0 "[ . 1 . 2]" 1
405 1 21 LYS H 1 21 LYS HG3 3.990 . 3.990 3.479 3.296 3.689 . 0 0 "[ . 1 . 2]" 1
406 1 21 LYS HG2 1 22 ASP H 5.500 . 5.500 3.862 3.638 4.231 . 0 0 "[ . 1 . 2]" 1
407 1 21 LYS HG3 1 31 GLU HA 4.650 . 4.650 3.012 2.728 3.282 . 0 0 "[ . 1 . 2]" 1
408 1 21 LYS HG2 1 31 GLU HA 4.560 . 4.560 2.911 2.521 3.586 . 0 0 "[ . 1 . 2]" 1
409 1 21 LYS HG2 1 31 GLU HB3 4.800 . 4.800 2.483 2.271 3.248 . 0 0 "[ . 1 . 2]" 1
410 1 21 LYS HG2 1 31 GLU HG2 4.510 . 4.510 2.948 2.514 3.242 . 0 0 "[ . 1 . 2]" 1
411 1 21 LYS HG3 1 31 GLU HG2 4.440 . 4.440 3.743 3.223 4.079 . 0 0 "[ . 1 . 2]" 1
412 1 35 VAL HA 1 39 LEU HG 4.750 . 4.750 3.915 3.644 4.295 . 0 0 "[ . 1 . 2]" 1
413 1 66 PRO HA 1 69 LEU HB3 4.220 . 4.220 2.531 2.304 3.007 . 0 0 "[ . 1 . 2]" 1
414 1 66 PRO HA 1 69 LEU H 5.500 . 5.500 3.597 3.407 4.000 . 0 0 "[ . 1 . 2]" 1
415 1 28 THR HA 1 29 THR HA 4.360 . 4.360 4.304 4.279 4.318 . 0 0 "[ . 1 . 2]" 1
416 1 18 LEU MD2 1 19 PHE H 4.830 . 4.830 4.683 4.620 4.699 . 0 0 "[ . 1 . 2]" 1
417 1 18 LEU H 1 18 LEU MD2 3.870 . 3.870 3.546 3.380 3.798 . 0 0 "[ . 1 . 2]" 1
418 1 18 LEU HA 1 18 LEU MD2 3.220 . 3.220 2.124 2.096 2.139 . 0 0 "[ . 1 . 2]" 1
419 1 55 VAL HB 1 63 ILE MD 3.990 . 3.990 3.737 2.204 4.347 0.357 18 0 "[ . 1 . 2]" 1
420 1 55 VAL HB 1 56 ASP H 4.000 . 4.000 3.973 2.588 4.537 0.537 11 5 "[ * .* * 1+ - 2]" 1
421 1 27 ILE HA 1 27 ILE MG 3.540 . 3.540 2.345 2.321 2.383 . 0 0 "[ . 1 . 2]" 1
422 1 52 ILE H 1 52 ILE QG 3.890 . 3.890 2.373 2.100 2.549 . 0 0 "[ . 1 . 2]" 1
423 1 21 LYS H 1 21 LYS QD . . 3.420 2.779 2.407 3.404 . 0 0 "[ . 1 . 2]" 1
424 1 52 ILE HA 1 52 ILE QG 3.620 . 3.620 2.282 2.243 2.355 . 0 0 "[ . 1 . 2]" 1
425 1 14 GLU HA 1 18 LEU HG 5.220 . 5.220 4.212 3.966 4.432 . 0 0 "[ . 1 . 2]" 1
426 1 74 ARG H 1 74 ARG HG3 4.330 . 4.330 2.787 1.952 3.990 . 0 0 "[ . 1 . 2]" 1
427 1 33 GLY QA 1 52 ILE MD 5.500 . 5.500 5.460 5.186 6.145 0.645 18 1 "[ . 1 . + 2]" 1
428 1 36 MET HA 1 39 LEU HB3 5.500 . 5.500 4.602 4.254 4.941 . 0 0 "[ . 1 . 2]" 1
429 1 36 MET HA 1 39 LEU HB2 5.300 . 5.300 3.056 2.718 3.613 . 0 0 "[ . 1 . 2]" 1
430 1 32 LEU H 1 32 LEU QD 4.360 . 4.360 3.594 2.449 3.730 . 0 0 "[ . 1 . 2]" 1
431 1 38 SER HA 1 39 LEU HG 5.500 . 5.500 5.200 5.012 5.456 . 0 0 "[ . 1 . 2]" 1
432 1 12 PHE H 1 69 LEU HB2 5.500 . 5.500 5.731 5.642 5.823 0.323 6 0 "[ . 1 . 2]" 1
433 1 68 PHE H 1 69 LEU HB2 5.500 . 5.500 5.301 5.107 5.545 0.045 8 0 "[ . 1 . 2]" 1
434 1 27 ILE HG13 1 27 ILE MG 3.530 . 3.530 3.188 3.174 3.201 . 0 0 "[ . 1 . 2]" 1
435 1 65 PHE HA 1 65 PHE QD 3.860 . 3.860 2.680 2.384 3.154 . 0 0 "[ . 1 . 2]" 1
436 1 65 PHE HA 1 68 PHE H 4.250 . 4.250 4.164 3.929 4.403 0.153 8 0 "[ . 1 . 2]" 1
437 1 69 LEU QD 1 73 ALA MB 3.570 . 3.570 3.213 2.150 3.956 0.386 9 0 "[ . 1 . 2]" 1
438 1 21 LYS HG2 1 31 GLU HB2 4.430 . 4.430 4.138 3.912 4.889 0.459 20 0 "[ . 1 . 2]" 1
439 1 27 ILE MG 1 31 GLU H 4.970 . 4.970 4.540 4.341 4.706 . 0 0 "[ . 1 . 2]" 1
440 1 16 PHE QD 1 27 ILE MD 3.640 . 3.640 2.610 2.328 2.916 . 0 0 "[ . 1 . 2]" 1
441 1 9 ILE MD 1 9 ILE MG 3.060 . 3.060 1.908 1.809 2.025 . 0 0 "[ . 1 . 2]" 1
442 1 12 PHE HB3 1 69 LEU QD 4.240 . 4.240 2.744 2.186 3.504 . 0 0 "[ . 1 . 2]" 1
443 1 68 PHE HB2 1 71 MET ME 4.760 . 4.760 3.740 3.159 4.158 . 0 0 "[ . 1 . 2]" 1
444 1 3 GLN HA 1 4 LEU H 3.240 . 3.240 2.354 2.132 2.595 . 0 0 "[ . 1 . 2]" 1
445 1 3 GLN HG2 1 4 LEU H 5.500 . 5.500 4.068 2.191 5.211 . 0 0 "[ . 1 . 2]" 1
446 1 3 GLN HG3 1 4 LEU H 5.500 . 5.500 3.994 1.965 5.563 0.063 2 0 "[ . 1 . 2]" 1
447 1 3 GLN HB2 1 4 LEU H 4.980 . 4.980 3.551 2.059 4.661 . 0 0 "[ . 1 . 2]" 1
448 1 3 GLN HB3 1 4 LEU H 4.980 . 4.980 3.362 2.182 4.446 . 0 0 "[ . 1 . 2]" 1
449 1 4 LEU H 1 4 LEU HB3 4.110 . 4.110 3.234 2.554 3.935 . 0 0 "[ . 1 . 2]" 1
450 1 4 LEU H 1 4 LEU HB2 4.110 . 4.110 2.683 2.111 3.667 . 0 0 "[ . 1 . 2]" 1
451 1 4 LEU H 1 4 LEU HG 4.790 . 4.790 4.099 1.719 4.570 . 0 0 "[ . 1 . 2]" 1
452 1 5 THR H 1 6 GLU H 5.500 . 5.500 4.353 4.195 4.496 . 0 0 "[ . 1 . 2]" 1
453 1 4 LEU H 1 5 THR H 5.300 . 5.300 4.347 3.149 4.655 . 0 0 "[ . 1 . 2]" 1
454 1 5 THR H 1 8 GLN H 5.140 . 5.140 3.795 3.473 4.297 . 0 0 "[ . 1 . 2]" 1
455 1 5 THR H 1 8 GLN HA 5.500 . 5.500 5.236 4.812 5.691 0.191 4 0 "[ . 1 . 2]" 1
456 1 5 THR H 1 8 GLN HG3 4.760 . 4.760 4.068 2.765 5.034 0.274 9 0 "[ . 1 . 2]" 1
457 1 5 THR H 1 8 GLN HB2 3.420 . 3.420 2.566 1.874 2.931 . 0 0 "[ . 1 . 2]" 1
458 1 6 GLU H 1 7 GLU H 4.220 . 4.220 2.886 2.568 3.048 . 0 0 "[ . 1 . 2]" 1
459 1 68 PHE H 1 69 LEU H 3.880 . 3.880 2.748 2.663 2.923 . 0 0 "[ . 1 . 2]" 1
460 1 6 GLU H 1 9 ILE H 5.500 . 5.500 5.308 5.134 5.390 . 0 0 "[ . 1 . 2]" 1
461 1 69 LEU H 1 70 THR H 3.900 . 3.900 2.755 2.660 2.895 . 0 0 "[ . 1 . 2]" 1
462 1 12 PHE QD 1 69 LEU H 5.120 . 5.120 3.772 3.460 4.083 . 0 0 "[ . 1 . 2]" 1
463 1 69 LEU H 1 71 MET H 5.300 . 5.300 4.907 4.399 5.162 . 0 0 "[ . 1 . 2]" 1
464 1 12 PHE HZ 1 69 LEU H 4.760 . 4.760 5.281 4.690 5.876 1.116 1 12 "[+***.*** - .*** *]" 1
465 1 68 PHE QD 1 69 LEU H 4.950 . 4.950 3.052 2.663 3.419 . 0 0 "[ . 1 . 2]" 1
466 1 5 THR HA 1 6 GLU H 3.430 . 3.430 2.513 2.240 2.931 . 0 0 "[ . 1 . 2]" 1
467 1 12 PHE HB2 1 69 LEU H 5.450 . 5.450 4.489 4.292 4.699 . 0 0 "[ . 1 . 2]" 1
468 1 69 LEU H 1 71 MET QG 5.020 . 5.020 4.784 4.343 5.139 0.119 2 0 "[ . 1 . 2]" 1
469 1 6 GLU H 1 8 GLN HB2 5.500 . 5.500 5.435 5.069 5.686 0.186 10 0 "[ . 1 . 2]" 1
470 1 69 LEU H 1 69 LEU HB2 3.280 . 3.280 2.651 2.565 2.727 . 0 0 "[ . 1 . 2]" 1
471 1 69 LEU H 1 69 LEU HB3 3.270 . 3.270 2.363 2.308 2.474 . 0 0 "[ . 1 . 2]" 1
472 1 5 THR HB 1 6 GLU H 3.770 . 3.770 3.656 3.294 3.866 0.096 1 0 "[ . 1 . 2]" 1
473 1 5 THR HA 1 7 GLU H 4.780 . 4.780 4.744 4.587 4.832 0.052 11 0 "[ . 1 . 2]" 1
474 1 7 GLU H 1 8 GLN HB2 5.500 . 5.500 4.971 4.816 5.083 . 0 0 "[ . 1 . 2]" 1
475 1 7 GLU H 1 10 ALA MB 5.500 . 5.500 4.687 4.577 4.879 . 0 0 "[ . 1 . 2]" 1
476 1 8 GLN H 1 9 ILE H 3.970 . 3.970 3.220 3.148 3.270 . 0 0 "[ . 1 . 2]" 1
477 1 7 GLU H 1 8 GLN H 3.700 . 3.700 3.103 3.056 3.146 . 0 0 "[ . 1 . 2]" 1
478 1 5 THR HA 1 8 GLN H 5.500 . 5.500 5.014 4.865 5.306 . 0 0 "[ . 1 . 2]" 1
479 1 8 GLN H 1 8 GLN HB3 4.000 . 4.000 3.253 2.818 3.574 . 0 0 "[ . 1 . 2]" 1
480 1 8 GLN H 1 8 GLN HG3 4.530 . 4.530 3.830 2.068 4.482 . 0 0 "[ . 1 . 2]" 1
481 1 7 GLU HB2 1 8 GLN H 4.810 . 4.810 3.362 2.247 3.826 . 0 0 "[ . 1 . 2]" 1
482 1 7 GLU HB3 1 8 GLN H 4.810 . 4.810 2.888 2.164 3.895 . 0 0 "[ . 1 . 2]" 1
483 1 8 GLN H 1 8 GLN HB2 3.660 . 3.660 2.272 2.049 2.557 . 0 0 "[ . 1 . 2]" 1
484 1 6 GLU H 1 8 GLN H 5.500 . 5.500 4.606 4.491 4.710 . 0 0 "[ . 1 . 2]" 1
485 1 60 ASN H 1 61 GLY H 3.420 . 3.420 2.371 1.899 2.492 . 0 0 "[ . 1 . 2]" 1
486 1 59 GLY H 1 60 ASN H 3.130 . 3.130 2.440 2.302 2.924 . 0 0 "[ . 1 . 2]" 1
487 1 60 ASN H 1 60 ASN HB3 3.950 . 3.950 2.935 2.322 3.548 . 0 0 "[ . 1 . 2]" 1
488 1 60 ASN H 1 60 ASN HB2 3.950 . 3.950 2.609 2.243 3.749 . 0 0 "[ . 1 . 2]" 1
489 1 8 GLN HB3 1 9 ILE H 3.470 . 3.470 2.649 2.099 3.260 . 0 0 "[ . 1 . 2]" 1
490 1 9 ILE H 1 9 ILE HG13 3.370 . 3.370 2.923 2.801 3.072 . 0 0 "[ . 1 . 2]" 1
491 1 9 ILE H 1 9 ILE HB 3.800 . 3.800 3.592 3.574 3.605 . 0 0 "[ . 1 . 2]" 1
492 1 8 GLN HB2 1 9 ILE H 3.410 . 3.410 2.909 2.250 3.530 0.120 6 0 "[ . 1 . 2]" 1
493 1 9 ILE H 1 9 ILE MG 4.010 . 4.010 2.294 2.196 2.357 . 0 0 "[ . 1 . 2]" 1
494 1 9 ILE H 1 9 ILE HG12 4.160 . 4.160 1.808 1.769 1.877 . 0 0 "[ . 1 . 2]" 1
495 1 10 ALA H 1 13 LYS H 4.870 . 4.870 4.902 4.808 4.992 0.122 17 0 "[ . 1 . 2]" 1
496 1 10 ALA H 1 11 GLU H 3.350 . 3.350 2.657 2.577 2.772 . 0 0 "[ . 1 . 2]" 1
497 1 9 ILE HG13 1 10 ALA H 3.400 . 3.400 1.782 1.745 1.894 . 0 0 "[ . 1 . 2]" 1
498 1 10 ALA H 1 10 ALA MB 2.960 . 2.960 2.174 2.142 2.216 . 0 0 "[ . 1 . 2]" 1
499 1 9 ILE MD 1 10 ALA H 3.980 . 3.980 3.561 3.534 3.637 . 0 0 "[ . 1 . 2]" 1
500 1 9 ILE H 1 10 ALA H 2.930 . 2.930 2.866 2.809 2.919 . 0 0 "[ . 1 . 2]" 1
501 1 11 GLU H 1 13 LYS H 5.290 . 5.290 4.201 4.079 4.318 . 0 0 "[ . 1 . 2]" 1
502 1 8 GLN HA 1 11 GLU H 3.820 . 3.820 3.586 3.369 3.719 . 0 0 "[ . 1 . 2]" 1
503 1 9 ILE HA 1 11 GLU H 4.910 . 4.910 4.298 3.990 4.531 . 0 0 "[ . 1 . 2]" 1
504 1 10 ALA MB 1 11 GLU H 3.190 . 3.190 2.523 2.316 2.727 . 0 0 "[ . 1 . 2]" 1
505 1 9 ILE HG12 1 11 GLU H 5.250 . 5.250 4.945 4.764 5.227 . 0 0 "[ . 1 . 2]" 1
506 1 12 PHE H 1 13 LYS H 3.800 . 3.800 2.672 2.618 2.720 . 0 0 "[ . 1 . 2]" 1
507 1 11 GLU H 1 12 PHE H 3.300 . 3.300 2.806 2.692 2.871 . 0 0 "[ . 1 . 2]" 1
508 1 12 PHE H 1 12 PHE QD 4.120 . 4.120 3.422 3.266 3.585 . 0 0 "[ . 1 . 2]" 1
509 1 12 PHE H 1 12 PHE HB2 3.400 . 3.400 3.292 3.189 3.369 . 0 0 "[ . 1 . 2]" 1
510 1 12 PHE H 1 12 PHE HB3 4.080 . 4.080 2.051 2.022 2.065 . 0 0 "[ . 1 . 2]" 1
511 1 11 GLU HB2 1 12 PHE H 4.170 . 4.170 3.553 2.610 3.802 . 0 0 "[ . 1 . 2]" 1
512 1 11 GLU HB3 1 12 PHE H 4.170 . 4.170 2.630 2.380 3.530 . 0 0 "[ . 1 . 2]" 1
513 1 10 ALA MB 1 12 PHE H 4.820 . 4.820 4.636 4.483 4.773 . 0 0 "[ . 1 . 2]" 1
514 1 9 ILE MG 1 12 PHE H 5.500 . 5.500 5.161 5.054 5.274 . 0 0 "[ . 1 . 2]" 1
515 1 12 PHE H 1 72 MET ME 5.500 . 5.500 3.540 2.360 5.538 0.038 12 0 "[ . 1 . 2]" 1
516 1 11 GLU HG3 1 12 PHE H 5.500 . 5.500 4.659 4.021 5.007 . 0 0 "[ . 1 . 2]" 1
517 1 13 LYS H 1 14 GLU H 3.720 . 3.720 2.740 2.589 2.809 . 0 0 "[ . 1 . 2]" 1
518 1 12 PHE QD 1 13 LYS H 3.900 . 3.900 3.008 2.539 3.186 . 0 0 "[ . 1 . 2]" 1
519 1 13 LYS H 1 16 PHE QD 5.500 . 5.500 5.275 5.067 5.684 0.184 5 0 "[ . 1 . 2]" 1
520 1 10 ALA HA 1 13 LYS H 3.580 . 3.580 3.491 3.351 3.592 0.012 17 0 "[ . 1 . 2]" 1
521 1 12 PHE HB3 1 13 LYS H 4.190 . 4.190 3.237 3.054 3.366 . 0 0 "[ . 1 . 2]" 1
522 1 9 ILE HA 1 13 LYS H 4.610 . 4.610 4.342 4.163 4.463 . 0 0 "[ . 1 . 2]" 1
523 1 12 PHE HB2 1 13 LYS H 4.920 . 4.920 4.136 4.092 4.188 . 0 0 "[ . 1 . 2]" 1
524 1 13 LYS H 1 14 GLU HB2 5.020 . 5.020 4.786 4.649 4.880 . 0 0 "[ . 1 . 2]" 1
525 1 13 LYS H 1 13 LYS HB2 3.600 . 3.600 2.463 2.161 2.622 . 0 0 "[ . 1 . 2]" 1
526 1 10 ALA MB 1 13 LYS H 5.500 . 5.500 4.639 4.514 4.776 . 0 0 "[ . 1 . 2]" 1
527 1 13 LYS H 1 13 LYS HD2 5.500 . 5.500 4.945 4.411 5.690 0.190 17 0 "[ . 1 . 2]" 1
528 1 13 LYS H 1 13 LYS HG3 4.830 . 4.830 4.535 4.308 4.656 . 0 0 "[ . 1 . 2]" 1
529 1 13 LYS H 1 69 LEU QD 5.500 . 5.500 4.793 4.428 5.188 . 0 0 "[ . 1 . 2]" 1
530 1 12 PHE HA 1 14 GLU H 4.660 . 4.660 4.444 4.220 4.581 . 0 0 "[ . 1 . 2]" 1
531 1 14 GLU H 1 16 PHE HB3 5.390 . 5.390 4.694 4.548 4.839 . 0 0 "[ . 1 . 2]" 1
532 1 14 GLU H 1 14 GLU HG3 3.460 . 3.460 2.663 2.203 3.614 0.154 8 0 "[ . 1 . 2]" 1
533 1 14 GLU H 1 14 GLU HB2 2.840 . 2.840 2.401 2.352 2.468 . 0 0 "[ . 1 . 2]" 1
534 1 52 ILE H 1 52 ILE HB 3.170 . 3.170 2.375 2.286 2.596 . 0 0 "[ . 1 . 2]" 1
535 1 13 LYS H 1 15 ALA H 4.390 . 4.390 4.449 4.369 4.517 0.127 19 0 "[ . 1 . 2]" 1
536 1 15 ALA H 1 18 LEU MD1 4.640 . 4.640 4.183 3.691 4.315 . 0 0 "[ . 1 . 2]" 1
537 1 16 PHE H 1 17 SER H 3.380 . 3.380 2.820 2.781 2.870 . 0 0 "[ . 1 . 2]" 1
538 1 15 ALA H 1 16 PHE H 3.520 . 3.520 2.752 2.709 2.832 . 0 0 "[ . 1 . 2]" 1
539 1 16 PHE H 1 19 PHE QE 4.650 . 4.650 4.602 4.390 4.771 0.121 12 0 "[ . 1 . 2]" 1
540 1 16 PHE H 1 16 PHE QD 4.260 . 4.260 3.855 3.795 3.961 . 0 0 "[ . 1 . 2]" 1
541 1 13 LYS HA 1 16 PHE H 4.000 . 4.000 3.598 3.433 3.778 . 0 0 "[ . 1 . 2]" 1
542 1 16 PHE H 1 16 PHE HB3 3.430 . 3.430 2.122 2.089 2.174 . 0 0 "[ . 1 . 2]" 1
543 1 16 PHE H 1 16 PHE HB2 3.570 . 3.570 2.999 2.894 3.048 . 0 0 "[ . 1 . 2]" 1
544 1 14 GLU HB2 1 16 PHE H 5.500 . 5.500 4.789 4.650 4.896 . 0 0 "[ . 1 . 2]" 1
545 1 14 GLU HB3 1 16 PHE H 5.500 . 5.500 5.407 5.220 5.497 . 0 0 "[ . 1 . 2]" 1
546 1 15 ALA MB 1 16 PHE H 3.360 . 3.360 2.527 2.411 2.701 . 0 0 "[ . 1 . 2]" 1
547 1 16 PHE HZ 1 17 SER H 5.500 . 5.500 5.755 5.676 5.876 0.376 19 0 "[ . 1 . 2]" 1
548 1 16 PHE QD 1 17 SER H 4.410 . 4.410 2.629 2.067 3.073 . 0 0 "[ . 1 . 2]" 1
549 1 15 ALA HA 1 17 SER H 5.500 . 5.500 4.639 4.575 4.689 . 0 0 "[ . 1 . 2]" 1
550 1 16 PHE HB2 1 17 SER H 4.180 . 4.180 3.970 3.906 4.011 . 0 0 "[ . 1 . 2]" 1
551 1 14 GLU HB3 1 17 SER H 5.500 . 5.500 5.516 5.440 5.605 0.105 19 0 "[ . 1 . 2]" 1
552 1 17 SER H 1 18 LEU HG 4.810 . 4.810 4.498 4.311 4.598 . 0 0 "[ . 1 . 2]" 1
553 1 15 ALA MB 1 17 SER H 4.780 . 4.780 4.686 4.610 4.804 0.024 8 0 "[ . 1 . 2]" 1
554 1 17 SER H 1 18 LEU MD1 5.500 . 5.500 5.309 5.128 5.355 . 0 0 "[ . 1 . 2]" 1
555 1 39 LEU H 1 40 GLY H 3.770 . 3.770 2.414 2.232 2.606 . 0 0 "[ . 1 . 2]" 1
556 1 16 PHE H 1 18 LEU H 5.330 . 5.330 4.061 3.864 4.155 . 0 0 "[ . 1 . 2]" 1
557 1 17 SER H 1 18 LEU H 3.610 . 3.610 2.746 2.631 2.807 . 0 0 "[ . 1 . 2]" 1
558 1 15 ALA HA 1 18 LEU H 3.680 . 3.680 3.466 3.323 3.524 . 0 0 "[ . 1 . 2]" 1
559 1 16 PHE HB3 1 18 LEU H 4.990 . 4.990 5.021 4.747 5.137 0.147 16 0 "[ . 1 . 2]" 1
560 1 16 PHE HB2 1 18 LEU H 5.500 . 5.500 5.763 5.585 5.879 0.379 16 0 "[ . 1 . 2]" 1
561 1 18 LEU H 1 19 PHE HB2 5.190 . 5.190 4.881 4.792 4.998 . 0 0 "[ . 1 . 2]" 1
562 1 14 GLU HB3 1 18 LEU H 5.440 . 5.440 5.339 5.179 5.442 0.002 3 0 "[ . 1 . 2]" 1
563 1 18 LEU H 1 18 LEU HG 2.890 . 2.890 2.346 2.230 2.646 . 0 0 "[ . 1 . 2]" 1
564 1 39 LEU H 1 39 LEU HB2 2.870 . 2.870 2.333 2.261 2.380 . 0 0 "[ . 1 . 2]" 1
565 1 39 LEU H 1 39 LEU HG 3.320 . 3.320 2.541 2.411 2.706 . 0 0 "[ . 1 . 2]" 1
566 1 39 LEU H 1 39 LEU MD1 4.240 . 4.240 3.446 3.363 3.538 . 0 0 "[ . 1 . 2]" 1
567 1 17 SER H 1 19 PHE H 5.500 . 5.500 4.424 4.351 4.566 . 0 0 "[ . 1 . 2]" 1
568 1 18 LEU H 1 19 PHE H 3.120 . 3.120 2.655 2.579 2.721 . 0 0 "[ . 1 . 2]" 1
569 1 19 PHE H 1 20 ASP H 3.500 . 3.500 2.715 2.543 2.804 . 0 0 "[ . 1 . 2]" 1
570 1 19 PHE H 1 20 ASP HA 5.490 . 5.490 5.306 5.172 5.367 . 0 0 "[ . 1 . 2]" 1
571 1 17 SER HA 1 19 PHE H 4.410 . 4.410 4.508 4.390 4.625 0.215 3 0 "[ . 1 . 2]" 1
572 1 16 PHE HA 1 19 PHE H 4.920 . 4.920 3.560 3.446 3.819 . 0 0 "[ . 1 . 2]" 1
573 1 19 PHE H 1 19 PHE HB3 3.960 . 3.960 3.600 3.583 3.624 . 0 0 "[ . 1 . 2]" 1
574 1 19 PHE H 1 19 PHE HB2 3.710 . 3.710 2.485 2.410 2.617 . 0 0 "[ . 1 . 2]" 1
575 1 18 LEU HB2 1 19 PHE H 3.850 . 3.850 2.604 2.525 2.671 . 0 0 "[ . 1 . 2]" 1
576 1 19 PHE H 1 20 ASP HB2 5.260 . 5.260 4.950 4.886 5.069 . 0 0 "[ . 1 . 2]" 1
577 1 18 LEU MD1 1 19 PHE H 5.270 . 5.270 4.505 4.432 4.599 . 0 0 "[ . 1 . 2]" 1
578 1 19 PHE H 1 27 ILE MG 5.500 . 5.500 5.041 4.812 5.186 . 0 0 "[ . 1 . 2]" 1
579 1 19 PHE H 1 35 VAL QG 5.500 . 5.500 4.291 3.999 4.528 . 0 0 "[ . 1 . 2]" 1
580 1 19 PHE H 1 27 ILE MD 4.650 . 4.650 3.889 3.796 4.155 . 0 0 "[ . 1 . 2]" 1
581 1 19 PHE H 1 27 ILE HG12 5.460 . 5.460 4.466 4.319 4.572 . 0 0 "[ . 1 . 2]" 1
582 1 18 LEU HB3 1 19 PHE H 3.850 . 3.850 3.523 3.378 3.585 . 0 0 "[ . 1 . 2]" 1
583 1 17 SER HA 1 20 ASP H 4.190 . 4.190 3.789 3.487 4.068 . 0 0 "[ . 1 . 2]" 1
584 1 18 LEU HA 1 20 ASP H 5.500 . 5.500 4.930 4.652 5.192 . 0 0 "[ . 1 . 2]" 1
585 1 16 PHE HA 1 20 ASP H 5.500 . 5.500 4.021 3.853 4.261 . 0 0 "[ . 1 . 2]" 1
586 1 19 PHE HB3 1 20 ASP H 4.430 . 4.430 3.501 3.343 3.756 . 0 0 "[ . 1 . 2]" 1
587 1 20 ASP H 1 20 ASP HB3 3.730 . 3.730 2.698 2.550 2.788 . 0 0 "[ . 1 . 2]" 1
588 1 20 ASP H 1 21 LYS QD 5.500 . 5.500 4.511 4.066 5.274 . 0 0 "[ . 1 . 2]" 1
589 1 20 ASP H 1 20 ASP HB2 3.730 . 3.730 2.376 2.286 2.523 . 0 0 "[ . 1 . 2]" 1
590 1 20 ASP H 1 35 VAL QG 4.790 . 4.790 5.146 4.998 5.298 0.508 14 2 "[ . 1 -+. 2]" 1
591 1 20 ASP H 1 27 ILE HG12 5.230 . 5.230 2.762 2.669 2.929 . 0 0 "[ . 1 . 2]" 1
592 1 21 LYS H 1 22 ASP H 4.050 . 4.050 2.835 2.793 2.869 . 0 0 "[ . 1 . 2]" 1
593 1 20 ASP HA 1 21 LYS H 3.400 . 3.400 2.405 2.310 2.565 . 0 0 "[ . 1 . 2]" 1
594 1 21 LYS H 1 31 GLU HG3 4.470 . 4.470 4.311 3.519 4.591 0.121 4 0 "[ . 1 . 2]" 1
595 1 21 LYS H 1 31 GLU HG2 4.030 . 4.030 2.791 1.821 3.145 . 0 0 "[ . 1 . 2]" 1
596 1 21 LYS H 1 21 LYS HG2 3.360 . 3.360 1.935 1.795 2.248 . 0 0 "[ . 1 . 2]" 1
597 1 21 LYS H 1 35 VAL QG 4.870 . 4.870 4.448 4.170 4.722 . 0 0 "[ . 1 . 2]" 1
598 1 58 ASP H 1 58 ASP HB3 3.630 . 3.630 3.237 2.515 3.647 0.017 4 0 "[ . 1 . 2]" 1
599 1 22 ASP H 1 31 GLU HG2 4.490 . 4.490 2.530 2.027 2.933 . 0 0 "[ . 1 . 2]" 1
600 1 57 ALA MB 1 58 ASP H 3.930 . 3.930 2.314 1.867 2.746 . 0 0 "[ . 1 . 2]" 1
601 1 22 ASP H 1 23 GLY H 2.960 . 2.960 2.631 2.573 2.678 . 0 0 "[ . 1 . 2]" 1
602 1 20 ASP HA 1 23 GLY H 4.160 . 4.160 3.675 3.610 3.739 . 0 0 "[ . 1 . 2]" 1
603 1 22 ASP HB2 1 23 GLY H 4.930 . 4.930 3.752 3.074 4.225 . 0 0 "[ . 1 . 2]" 1
604 1 22 ASP HB3 1 23 GLY H 4.930 . 4.930 4.073 3.109 4.236 . 0 0 "[ . 1 . 2]" 1
605 1 20 ASP HB2 1 23 GLY H 5.500 . 5.500 4.615 4.517 4.702 . 0 0 "[ . 1 . 2]" 1
606 1 20 ASP HB3 1 23 GLY H 5.500 . 5.500 3.689 3.505 3.860 . 0 0 "[ . 1 . 2]" 1
607 1 24 ASP H 1 24 ASP QB . . 3.470 2.642 2.484 2.905 . 0 0 "[ . 1 . 2]" 1
608 1 23 GLY H 1 24 ASP H 3.340 . 3.340 2.790 2.723 2.847 . 0 0 "[ . 1 . 2]" 1
609 1 24 ASP H 1 25 GLY H 3.500 . 3.500 2.311 2.167 2.389 . 0 0 "[ . 1 . 2]" 1
610 1 22 ASP H 1 24 ASP H 4.400 . 4.400 4.477 4.407 4.545 0.145 14 0 "[ . 1 . 2]" 1
611 1 25 GLY H 1 26 THR H 3.070 . 3.070 2.173 1.966 2.265 . 0 0 "[ . 1 . 2]" 1
612 1 60 ASN HA 1 61 GLY H 3.480 . 3.480 3.410 3.287 3.470 . 0 0 "[ . 1 . 2]" 1
613 1 24 ASP QB 1 25 GLY H . . 4.810 3.789 3.263 3.901 . 0 0 "[ . 1 . 2]" 1
614 1 61 GLY H 1 62 THR MG 5.220 . 5.220 4.220 3.723 5.065 . 0 0 "[ . 1 . 2]" 1
615 1 26 THR H 1 27 ILE H 5.050 . 5.050 4.410 4.381 4.475 . 0 0 "[ . 1 . 2]" 1
616 1 24 ASP H 1 26 THR H 4.360 . 4.360 3.221 3.109 3.553 . 0 0 "[ . 1 . 2]" 1
617 1 26 THR H 1 26 THR HB 3.930 . 3.930 3.761 3.678 3.890 . 0 0 "[ . 1 . 2]" 1
618 1 24 ASP QB 1 26 THR H 5.500 . 5.500 3.972 3.020 4.231 . 0 0 "[ . 1 . 2]" 1
619 1 26 THR HA 1 27 ILE H 3.430 . 3.430 2.371 2.262 2.491 . 0 0 "[ . 1 . 2]" 1
620 1 27 ILE H 1 63 ILE HA 5.500 . 5.500 4.784 4.584 4.865 . 0 0 "[ . 1 . 2]" 1
621 1 27 ILE H 1 28 THR HA 4.950 . 4.950 4.971 4.883 5.104 0.154 19 0 "[ . 1 . 2]" 1
622 1 27 ILE H 1 62 THR HB 4.580 . 4.580 3.197 2.688 3.805 . 0 0 "[ . 1 . 2]" 1
623 1 27 ILE H 1 63 ILE HB 4.440 . 4.440 3.534 3.061 3.902 . 0 0 "[ . 1 . 2]" 1
624 1 27 ILE H 1 27 ILE HB 4.000 . 4.000 2.544 2.445 2.672 . 0 0 "[ . 1 . 2]" 1
625 1 26 THR MG 1 27 ILE H 3.760 . 3.760 3.413 3.250 3.806 0.046 12 0 "[ . 1 . 2]" 1
626 1 27 ILE H 1 27 ILE HG12 4.880 . 4.880 4.030 3.864 4.203 . 0 0 "[ . 1 . 2]" 1
627 1 27 ILE H 1 28 THR H 5.500 . 5.500 4.445 4.344 4.522 . 0 0 "[ . 1 . 2]" 1
628 1 28 THR H 1 31 GLU H 4.960 . 4.960 3.511 3.280 3.698 . 0 0 "[ . 1 . 2]" 1
629 1 28 THR H 1 31 GLU HA 5.500 . 5.500 4.845 4.679 4.982 . 0 0 "[ . 1 . 2]" 1
630 1 28 THR H 1 62 THR HB 5.500 . 5.500 5.100 4.601 5.626 0.126 16 0 "[ . 1 . 2]" 1
631 1 28 THR H 1 31 GLU HB3 4.170 . 4.170 3.225 3.102 3.406 . 0 0 "[ . 1 . 2]" 1
632 1 28 THR H 1 31 GLU HB2 3.680 . 3.680 1.889 1.766 2.075 . 0 0 "[ . 1 . 2]" 1
633 1 27 ILE MG 1 28 THR H 3.920 . 3.920 2.403 2.078 2.696 . 0 0 "[ . 1 . 2]" 1
634 1 28 THR H 1 52 ILE MD 5.500 . 5.500 4.710 4.268 5.181 . 0 0 "[ . 1 . 2]" 1
635 1 27 ILE MD 1 28 THR H 5.500 . 5.500 4.986 4.767 5.190 . 0 0 "[ . 1 . 2]" 1
636 1 27 ILE HG12 1 28 THR H 5.480 . 5.480 4.269 4.078 4.523 . 0 0 "[ . 1 . 2]" 1
637 1 29 THR H 1 32 LEU H 5.500 . 5.500 4.998 4.892 5.135 . 0 0 "[ . 1 . 2]" 1
638 1 28 THR H 1 29 THR H 5.500 . 5.500 4.483 4.394 4.540 . 0 0 "[ . 1 . 2]" 1
639 1 28 THR HB 1 29 THR H 3.900 . 3.900 3.582 3.335 3.789 . 0 0 "[ . 1 . 2]" 1
640 1 29 THR H 1 29 THR HB 3.950 . 3.950 3.529 2.715 3.593 . 0 0 "[ . 1 . 2]" 1
641 1 29 THR H 1 31 GLU HB2 5.500 . 5.500 5.031 4.900 5.280 . 0 0 "[ . 1 . 2]" 1
642 1 29 THR H 1 32 LEU QB 5.500 . 5.500 5.078 4.907 5.465 . 0 0 "[ . 1 . 2]" 1
643 1 29 THR H 1 52 ILE QG 5.500 . 5.500 5.360 4.695 5.739 0.239 12 0 "[ . 1 . 2]" 1
644 1 28 THR MG 1 29 THR H 3.870 . 3.870 2.048 1.642 3.570 . 0 0 "[ . 1 . 2]" 1
645 1 29 THR H 1 52 ILE MG 4.730 . 4.730 4.020 3.480 4.401 . 0 0 "[ . 1 . 2]" 1
646 1 29 THR H 1 52 ILE MD 5.020 . 5.020 3.126 2.747 3.438 . 0 0 "[ . 1 . 2]" 1
647 1 29 THR H 1 30 LYS H 4.190 . 4.190 2.719 2.557 2.847 . 0 0 "[ . 1 . 2]" 1
648 1 30 LYS H 1 30 LYS HG3 3.950 . 3.950 2.386 2.206 4.357 0.407 15 0 "[ . 1 . 2]" 1
649 1 28 THR MG 1 30 LYS H 3.760 . 3.760 1.825 1.716 2.822 . 0 0 "[ . 1 . 2]" 1
650 1 27 ILE MG 1 30 LYS H 5.500 . 5.500 5.723 5.663 5.796 0.296 6 0 "[ . 1 . 2]" 1
651 1 30 LYS H 1 52 ILE MD 4.770 . 4.770 4.867 4.621 5.149 0.379 12 0 "[ . 1 . 2]" 1
652 1 30 LYS HA 1 31 GLU H 3.560 . 3.560 3.551 3.522 3.568 0.008 11 0 "[ . 1 . 2]" 1
653 1 28 THR MG 1 31 GLU H 3.520 . 3.520 2.667 1.601 3.131 . 0 0 "[ . 1 . 2]" 1
654 1 31 GLU H 1 31 GLU HB3 3.660 . 3.660 3.561 3.525 3.574 . 0 0 "[ . 1 . 2]" 1
655 1 31 GLU H 1 31 GLU HB2 3.210 . 3.210 2.341 2.252 2.386 . 0 0 "[ . 1 . 2]" 1
656 1 32 LEU H 1 33 GLY H 2.960 . 2.960 2.724 2.635 2.791 . 0 0 "[ . 1 . 2]" 1
657 1 31 GLU H 1 32 LEU H 3.450 . 3.450 2.891 2.822 2.971 . 0 0 "[ . 1 . 2]" 1
658 1 28 THR H 1 32 LEU H 4.430 . 4.430 3.467 3.136 3.809 . 0 0 "[ . 1 . 2]" 1
659 1 27 ILE HA 1 32 LEU H 5.250 . 5.250 4.968 4.737 5.226 . 0 0 "[ . 1 . 2]" 1
660 1 29 THR HA 1 32 LEU H 3.920 . 3.920 4.008 3.787 4.104 0.184 11 0 "[ . 1 . 2]" 1
661 1 32 LEU H 1 33 GLY QA 5.070 . 5.070 4.559 4.504 4.611 . 0 0 "[ . 1 . 2]" 1
662 1 31 GLU HB3 1 32 LEU H 4.220 . 4.220 3.049 2.789 3.225 . 0 0 "[ . 1 . 2]" 1
663 1 31 GLU HB2 1 32 LEU H 3.710 . 3.710 2.288 2.213 2.376 . 0 0 "[ . 1 . 2]" 1
664 1 32 LEU H 1 32 LEU QB 3.170 . 3.170 2.167 2.054 2.206 . 0 0 "[ . 1 . 2]" 1
665 1 27 ILE MG 1 32 LEU H 3.870 . 3.870 2.981 2.780 3.214 . 0 0 "[ . 1 . 2]" 1
666 1 30 LYS H 1 33 GLY H 5.500 . 5.500 4.535 4.408 4.655 . 0 0 "[ . 1 . 2]" 1
667 1 31 GLU H 1 33 GLY H 5.500 . 5.500 4.060 3.782 4.157 . 0 0 "[ . 1 . 2]" 1
668 1 29 THR HA 1 33 GLY H 5.070 . 5.070 3.639 3.293 3.999 . 0 0 "[ . 1 . 2]" 1
669 1 31 GLU HB2 1 33 GLY H 5.430 . 5.430 4.767 4.535 4.883 . 0 0 "[ . 1 . 2]" 1
670 1 32 LEU QB 1 33 GLY H 3.870 . 3.870 2.568 2.424 3.231 . 0 0 "[ . 1 . 2]" 1
671 1 33 GLY H 1 48 LEU HG 5.500 . 5.500 5.180 4.438 5.656 0.156 12 0 "[ . 1 . 2]" 1
672 1 33 GLY H 1 35 VAL QG 5.500 . 5.500 4.911 4.778 5.045 . 0 0 "[ . 1 . 2]" 1
673 1 32 LEU HG 1 33 GLY H 3.700 . 3.700 3.358 3.193 3.701 0.001 14 0 "[ . 1 . 2]" 1
674 1 32 LEU QD 1 33 GLY H 4.340 . 4.340 3.327 1.715 3.704 . 0 0 "[ . 1 . 2]" 1
675 1 33 GLY H 1 34 THR H 3.520 . 3.520 2.842 2.740 2.894 . 0 0 "[ . 1 . 2]" 1
676 1 34 THR H 1 34 THR HB 2.960 . 2.960 2.568 2.499 2.673 . 0 0 "[ . 1 . 2]" 1
677 1 34 THR H 1 35 VAL HB 4.900 . 4.900 4.910 4.866 4.951 0.051 16 0 "[ . 1 . 2]" 1
678 1 34 THR H 1 34 THR MG 3.870 . 3.870 3.741 3.730 3.751 . 0 0 "[ . 1 . 2]" 1
679 1 34 THR H 1 35 VAL QG 4.600 . 4.600 4.051 3.966 4.156 . 0 0 "[ . 1 . 2]" 1
680 1 32 LEU HG 1 34 THR H 5.500 . 5.500 5.225 5.125 5.357 . 0 0 "[ . 1 . 2]" 1
681 1 32 LEU HA 1 35 VAL H 4.690 . 4.690 3.293 3.237 3.386 . 0 0 "[ . 1 . 2]" 1
682 1 35 VAL H 1 36 MET HG3 5.500 . 5.500 5.138 4.345 5.956 0.456 5 0 "[ . 1 . 2]" 1
683 1 35 VAL H 1 36 MET HG2 5.500 . 5.500 5.077 4.320 5.910 0.410 17 0 "[ . 1 . 2]" 1
684 1 35 VAL H 1 35 VAL HB 3.560 . 3.560 2.499 2.469 2.543 . 0 0 "[ . 1 . 2]" 1
685 1 21 LYS QD 1 35 VAL H 5.500 . 5.500 4.518 4.048 5.246 . 0 0 "[ . 1 . 2]" 1
686 1 36 MET H 1 37 ARG H 3.610 . 3.610 2.630 2.563 2.699 . 0 0 "[ . 1 . 2]" 1
687 1 35 VAL H 1 36 MET H 3.870 . 3.870 2.679 2.624 2.746 . 0 0 "[ . 1 . 2]" 1
688 1 19 PHE HA 1 36 MET H 5.500 . 5.500 6.778 6.331 6.986 1.486 15 20 [**************+***-*] 1
689 1 34 THR HB 1 36 MET H 5.500 . 5.500 4.867 4.799 4.937 . 0 0 "[ . 1 . 2]" 1
690 1 33 GLY QA 1 36 MET H 4.300 . 4.300 3.351 3.304 3.414 . 0 0 "[ . 1 . 2]" 1
691 1 36 MET H 1 36 MET HG3 4.000 . 4.000 2.950 2.189 3.694 . 0 0 "[ . 1 . 2]" 1
692 1 36 MET H 1 36 MET HG2 4.000 . 4.000 2.813 2.172 3.504 . 0 0 "[ . 1 . 2]" 1
693 1 35 VAL HB 1 36 MET H 3.360 . 3.360 2.615 2.548 2.734 . 0 0 "[ . 1 . 2]" 1
694 1 36 MET H 1 36 MET HB2 4.090 . 4.090 2.460 2.401 2.512 . 0 0 "[ . 1 . 2]" 1
695 1 32 LEU QB 1 36 MET H 5.500 . 5.500 5.097 4.982 5.347 . 0 0 "[ . 1 . 2]" 1
696 1 32 LEU HG 1 36 MET H 4.850 . 4.850 3.939 3.784 4.431 . 0 0 "[ . 1 . 2]" 1
697 1 37 ARG H 1 38 SER HA 5.390 . 5.390 5.270 5.162 5.331 . 0 0 "[ . 1 . 2]" 1
698 1 33 GLY QA 1 37 ARG H 4.340 . 4.340 3.811 3.440 4.176 . 0 0 "[ . 1 . 2]" 1
699 1 34 THR HA 1 37 ARG H 4.650 . 4.650 3.538 3.397 3.670 . 0 0 "[ . 1 . 2]" 1
700 1 36 MET HG3 1 37 ARG H 5.140 . 5.140 4.639 4.230 5.137 . 0 0 "[ . 1 . 2]" 1
701 1 36 MET HG2 1 37 ARG H 5.140 . 5.140 4.618 4.267 4.983 . 0 0 "[ . 1 . 2]" 1
702 1 37 ARG H 1 37 ARG HB2 3.300 . 3.300 2.558 2.250 2.691 . 0 0 "[ . 1 . 2]" 1
703 1 37 ARG H 1 37 ARG HB3 3.300 . 3.300 2.601 2.479 2.948 . 0 0 "[ . 1 . 2]" 1
704 1 37 ARG H 1 39 LEU HG 5.500 . 5.500 5.558 5.137 5.680 0.180 4 0 "[ . 1 . 2]" 1
705 1 37 ARG H 1 39 LEU H 5.500 . 5.500 3.891 3.816 3.985 . 0 0 "[ . 1 . 2]" 1
706 1 38 SER H 1 39 LEU H 3.680 . 3.680 2.779 2.638 2.821 . 0 0 "[ . 1 . 2]" 1
707 1 35 VAL HA 1 38 SER H 4.160 . 4.160 3.780 3.621 3.910 . 0 0 "[ . 1 . 2]" 1
708 1 37 ARG H 1 38 SER H 3.570 . 3.570 2.670 2.547 2.749 . 0 0 "[ . 1 . 2]" 1
709 1 40 GLY H 1 41 GLN H 3.320 . 3.320 2.268 2.087 2.676 . 0 0 "[ . 1 . 2]" 1
710 1 37 ARG HA 1 40 GLY H 4.500 . 4.500 3.274 3.053 3.809 . 0 0 "[ . 1 . 2]" 1
711 1 40 GLY H 1 41 GLN HB2 5.500 . 5.500 4.537 4.301 5.071 . 0 0 "[ . 1 . 2]" 1
712 1 40 GLY H 1 41 GLN HB3 5.500 . 5.500 5.189 4.407 5.893 0.393 1 0 "[ . 1 . 2]" 1
713 1 39 LEU HB2 1 40 GLY H 4.310 . 4.310 3.212 2.959 3.358 . 0 0 "[ . 1 . 2]" 1
714 1 39 LEU HB3 1 40 GLY H 4.490 . 4.490 3.997 3.771 4.075 . 0 0 "[ . 1 . 2]" 1
715 1 39 LEU MD2 1 40 GLY H 5.500 . 5.500 4.874 4.823 4.905 . 0 0 "[ . 1 . 2]" 1
716 1 39 LEU MD1 1 40 GLY H 5.500 . 5.500 4.883 4.732 5.007 . 0 0 "[ . 1 . 2]" 1
717 1 39 LEU H 1 41 GLN H 4.410 . 4.410 3.706 3.502 4.082 . 0 0 "[ . 1 . 2]" 1
718 1 37 ARG HA 1 41 GLN H 4.320 . 4.320 3.224 2.823 4.167 . 0 0 "[ . 1 . 2]" 1
719 1 39 LEU HB2 1 41 GLN H 3.730 . 3.730 3.216 2.892 3.945 0.215 16 0 "[ . 1 . 2]" 1
720 1 45 GLU H 1 46 ALA H 4.460 . 4.460 2.636 2.420 2.782 . 0 0 "[ . 1 . 2]" 1
721 1 45 GLU H 1 45 GLU HG2 5.180 . 5.180 3.085 1.754 4.486 . 0 0 "[ . 1 . 2]" 1
722 1 45 GLU H 1 45 GLU HG3 5.180 . 5.180 3.790 2.182 4.515 . 0 0 "[ . 1 . 2]" 1
723 1 44 THR MG 1 45 GLU H 5.350 . 5.350 3.627 2.171 4.476 . 0 0 "[ . 1 . 2]" 1
724 1 45 GLU H 1 46 ALA MB 5.500 . 5.500 4.254 3.992 4.460 . 0 0 "[ . 1 . 2]" 1
725 1 46 ALA H 1 48 LEU H 5.030 . 5.030 4.219 3.911 4.764 . 0 0 "[ . 1 . 2]" 1
726 1 46 ALA H 1 47 GLU H 4.180 . 4.180 2.588 2.312 3.018 . 0 0 "[ . 1 . 2]" 1
727 1 45 GLU HG2 1 46 ALA H 5.500 . 5.500 3.250 1.812 4.253 . 0 0 "[ . 1 . 2]" 1
728 1 45 GLU HG3 1 46 ALA H 5.500 . 5.500 3.592 1.748 4.926 . 0 0 "[ . 1 . 2]" 1
729 1 46 ALA H 1 46 ALA MB 3.050 . 3.050 2.253 2.200 2.285 . 0 0 "[ . 1 . 2]" 1
730 1 47 GLU H 1 48 LEU H 3.780 . 3.780 2.779 2.662 2.947 . 0 0 "[ . 1 . 2]" 1
731 1 48 LEU H 1 48 LEU HB2 4.060 . 4.060 2.252 2.181 2.310 . 0 0 "[ . 1 . 2]" 1
732 1 48 LEU H 1 48 LEU HG 4.220 . 4.220 3.827 3.699 3.988 . 0 0 "[ . 1 . 2]" 1
733 1 48 LEU H 1 48 LEU HB3 4.060 . 4.060 3.540 3.502 3.575 . 0 0 "[ . 1 . 2]" 1
734 1 48 LEU H 1 49 GLN H 3.800 . 3.800 2.771 2.698 2.875 . 0 0 "[ . 1 . 2]" 1
735 1 47 GLU H 1 49 GLN H 4.790 . 4.790 4.289 4.192 4.421 . 0 0 "[ . 1 . 2]" 1
736 1 49 GLN H 1 51 MET H 5.110 . 5.110 4.301 4.141 4.436 . 0 0 "[ . 1 . 2]" 1
737 1 46 ALA HA 1 49 GLN H 3.970 . 3.970 3.547 3.392 3.822 . 0 0 "[ . 1 . 2]" 1
738 1 49 GLN H 1 49 GLN HG2 5.310 . 5.310 3.610 3.347 3.753 . 0 0 "[ . 1 . 2]" 1
739 1 49 GLN H 1 49 GLN HG3 5.310 . 5.310 2.276 2.066 2.428 . 0 0 "[ . 1 . 2]" 1
740 1 72 MET H 1 73 ALA H 3.170 . 3.170 2.312 2.190 2.794 . 0 0 "[ . 1 . 2]" 1
741 1 70 THR HA 1 73 ALA H 4.090 . 4.090 3.361 3.159 3.802 . 0 0 "[ . 1 . 2]" 1
742 1 49 GLN QB 1 50 ASP H 3.840 . 3.840 2.648 2.438 2.883 . 0 0 "[ . 1 . 2]" 1
743 1 49 GLN HG2 1 50 ASP H 5.500 . 5.500 5.078 4.986 5.195 . 0 0 "[ . 1 . 2]" 1
744 1 49 GLN HG3 1 50 ASP H 5.500 . 5.500 4.500 4.373 4.609 . 0 0 "[ . 1 . 2]" 1
745 1 72 MET QG 1 73 ALA H . . 3.230 2.242 2.074 2.431 . 0 0 "[ . 1 . 2]" 1
746 1 73 ALA H 1 73 ALA MB 3.100 . 3.100 2.237 2.169 2.557 . 0 0 "[ . 1 . 2]" 1
747 1 52 ILE H 1 53 ASN H 4.170 . 4.170 2.635 2.588 2.713 . 0 0 "[ . 1 . 2]" 1
748 1 53 ASN H 1 54 GLU H 4.850 . 4.850 2.741 2.597 2.864 . 0 0 "[ . 1 . 2]" 1
749 1 52 ILE HB 1 53 ASN H 3.870 . 3.870 2.656 2.541 2.729 . 0 0 "[ . 1 . 2]" 1
750 1 52 ILE QG 1 53 ASN H 4.550 . 4.550 4.140 3.820 4.249 . 0 0 "[ . 1 . 2]" 1
751 1 52 ILE MG 1 53 ASN H 4.230 . 4.230 3.225 3.033 3.603 . 0 0 "[ . 1 . 2]" 1
752 1 55 VAL H 1 56 ASP H 4.370 . 4.370 2.781 2.604 3.166 . 0 0 "[ . 1 . 2]" 1
753 1 55 VAL H 1 55 VAL MG1 4.560 . 4.560 2.497 1.881 3.756 . 0 0 "[ . 1 . 2]" 1
754 1 57 ALA H 1 59 GLY H 5.500 . 5.500 3.427 2.258 3.916 . 0 0 "[ . 1 . 2]" 1
755 1 58 ASP H 1 59 GLY H 2.910 . 2.910 2.424 2.316 2.634 . 0 0 "[ . 1 . 2]" 1
756 1 58 ASP H 1 58 ASP HB2 3.630 . 3.630 2.569 2.280 3.662 0.032 13 0 "[ . 1 . 2]" 1
757 1 58 ASP HB3 1 59 GLY H 5.000 . 5.000 3.946 2.869 4.518 . 0 0 "[ . 1 . 2]" 1
758 1 58 ASP HB2 1 59 GLY H 5.000 . 5.000 3.741 3.106 4.408 . 0 0 "[ . 1 . 2]" 1
759 1 61 GLY H 1 62 THR H 3.440 . 3.440 2.578 2.147 4.548 1.108 13 2 "[ . 1 + . -]" 1
760 1 25 GLY H 1 26 THR MG 4.790 . 4.790 4.783 4.340 5.009 0.219 18 0 "[ . 1 . 2]" 1
761 1 27 ILE H 1 63 ILE H 4.290 . 4.290 2.710 2.400 2.926 . 0 0 "[ . 1 . 2]" 1
762 1 62 THR H 1 63 ILE H 5.500 . 5.500 4.412 3.992 4.495 . 0 0 "[ . 1 . 2]" 1
763 1 26 THR HA 1 63 ILE H 5.500 . 5.500 4.733 4.206 5.000 . 0 0 "[ . 1 . 2]" 1
764 1 28 THR HA 1 63 ILE H 4.070 . 4.070 4.007 3.587 4.330 0.260 18 0 "[ . 1 . 2]" 1
765 1 26 THR HB 1 63 ILE H 4.630 . 4.630 3.882 3.366 4.313 . 0 0 "[ . 1 . 2]" 1
766 1 63 ILE H 1 63 ILE HB 3.940 . 3.940 2.647 2.526 2.749 . 0 0 "[ . 1 . 2]" 1
767 1 63 ILE H 1 63 ILE HG13 4.050 . 4.050 3.783 2.682 3.987 . 0 0 "[ . 1 . 2]" 1
768 1 63 ILE H 1 63 ILE HG12 4.050 . 4.050 2.579 2.322 4.062 0.012 5 0 "[ . 1 . 2]" 1
769 1 27 ILE MG 1 63 ILE H 4.540 . 4.540 3.868 3.603 4.317 . 0 0 "[ . 1 . 2]" 1
770 1 63 ILE H 1 63 ILE MD 4.680 . 4.680 3.202 3.052 3.711 . 0 0 "[ . 1 . 2]" 1
771 1 63 ILE HA 1 64 ASP H 3.200 . 3.200 2.129 2.089 2.164 . 0 0 "[ . 1 . 2]" 1
772 1 64 ASP H 1 64 ASP HB3 4.190 . 4.190 3.525 2.631 3.678 . 0 0 "[ . 1 . 2]" 1
773 1 64 ASP H 1 64 ASP HB2 4.190 . 4.190 2.565 2.290 3.611 . 0 0 "[ . 1 . 2]" 1
774 1 64 ASP H 1 66 PRO HG2 5.500 . 5.500 5.213 4.678 5.655 0.155 6 0 "[ . 1 . 2]" 1
775 1 63 ILE MG 1 64 ASP H 3.680 . 3.680 2.768 2.433 3.082 . 0 0 "[ . 1 . 2]" 1
776 1 65 PHE H 1 65 PHE QD 4.390 . 4.390 2.577 2.097 4.105 . 0 0 "[ . 1 . 2]" 1
777 1 64 ASP HB3 1 65 PHE H 3.530 . 3.530 2.282 1.812 3.621 0.091 10 0 "[ . 1 . 2]" 1
778 1 64 ASP HB2 1 65 PHE H 3.530 . 3.530 3.216 2.038 3.550 0.020 7 0 "[ . 1 . 2]" 1
779 1 65 PHE H 1 66 PRO HG2 4.700 . 4.700 4.472 4.215 4.711 0.011 14 0 "[ . 1 . 2]" 1
780 1 26 THR MG 1 65 PHE H 4.830 . 4.830 4.245 3.785 4.748 . 0 0 "[ . 1 . 2]" 1
781 1 65 PHE H 1 67 GLU H 5.500 . 5.500 4.499 4.030 4.755 . 0 0 "[ . 1 . 2]" 1
782 1 67 GLU H 1 69 LEU H 5.500 . 5.500 4.376 4.176 4.875 . 0 0 "[ . 1 . 2]" 1
783 1 64 ASP H 1 67 GLU H 4.680 . 4.680 4.123 3.662 4.405 . 0 0 "[ . 1 . 2]" 1
784 1 67 GLU H 1 68 PHE H 3.750 . 3.750 2.909 2.696 3.167 . 0 0 "[ . 1 . 2]" 1
785 1 65 PHE QD 1 67 GLU H 5.500 . 5.500 5.839 5.287 6.324 0.824 8 11 "[ ** * *+-**** * 2]" 1
786 1 63 ILE HA 1 67 GLU H 5.500 . 5.500 5.751 5.320 6.119 0.619 5 2 "[ + - 1 . 2]" 1
787 1 67 GLU H 1 67 GLU HG2 3.570 . 3.570 2.614 1.881 3.523 . 0 0 "[ . 1 . 2]" 1
788 1 67 GLU H 1 67 GLU HG3 3.570 . 3.570 2.811 1.836 3.552 . 0 0 "[ . 1 . 2]" 1
789 1 66 PRO HG2 1 67 GLU H 3.900 . 3.900 2.365 2.098 3.409 . 0 0 "[ . 1 . 2]" 1
790 1 63 ILE MG 1 67 GLU H 3.930 . 3.930 4.160 3.896 4.332 0.402 19 0 "[ . 1 . 2]" 1
791 1 67 GLU H 1 69 LEU QD 5.160 . 5.160 5.447 5.224 5.761 0.601 12 3 "[ .- 1*+ . 2]" 1
792 1 64 ASP H 1 68 PHE H 5.260 . 5.260 4.365 3.834 4.805 . 0 0 "[ . 1 . 2]" 1
793 1 68 PHE H 1 70 THR H 5.500 . 5.500 3.996 3.666 4.426 . 0 0 "[ . 1 . 2]" 1
794 1 12 PHE QD 1 68 PHE H 5.500 . 5.500 5.467 5.197 5.733 0.233 17 0 "[ . 1 . 2]" 1
795 1 68 PHE H 1 71 MET H 5.030 . 5.030 5.011 4.783 5.193 0.163 19 0 "[ . 1 . 2]" 1
796 1 68 PHE H 1 68 PHE QD 4.400 . 4.400 4.161 4.125 4.200 . 0 0 "[ . 1 . 2]" 1
797 1 63 ILE HA 1 68 PHE H 5.500 . 5.500 5.208 4.888 5.580 0.080 5 0 "[ . 1 . 2]" 1
798 1 68 PHE H 1 70 THR HB 5.060 . 5.060 5.170 4.545 5.490 0.430 12 0 "[ . 1 . 2]" 1
799 1 68 PHE H 1 68 PHE HB3 3.750 . 3.750 2.569 2.411 2.706 . 0 0 "[ . 1 . 2]" 1
800 1 68 PHE H 1 68 PHE HB2 3.750 . 3.750 2.484 2.357 2.658 . 0 0 "[ . 1 . 2]" 1
801 1 67 GLU HG2 1 68 PHE H 4.990 . 4.990 4.537 4.162 4.952 . 0 0 "[ . 1 . 2]" 1
802 1 67 GLU HG3 1 68 PHE H 4.990 . 4.990 4.511 4.069 4.886 . 0 0 "[ . 1 . 2]" 1
803 1 66 PRO HG2 1 68 PHE H 5.500 . 5.500 5.156 4.668 5.886 0.386 6 0 "[ . 1 . 2]" 1
804 1 68 PHE H 1 71 MET QG 5.500 . 5.500 4.480 4.257 4.778 . 0 0 "[ . 1 . 2]" 1
805 1 63 ILE MD 1 68 PHE H 5.500 . 5.500 5.167 4.962 5.527 0.027 19 0 "[ . 1 . 2]" 1
806 1 68 PHE H 1 69 LEU HB3 5.500 . 5.500 4.691 4.558 4.809 . 0 0 "[ . 1 . 2]" 1
807 1 68 PHE H 1 69 LEU QD 5.500 . 5.500 5.382 5.224 5.466 . 0 0 "[ . 1 . 2]" 1
808 1 68 PHE H 1 71 MET ME 5.500 . 5.500 3.437 3.067 3.779 . 0 0 "[ . 1 . 2]" 1
809 1 27 ILE MD 1 68 PHE H 5.500 . 5.500 5.212 4.971 5.479 . 0 0 "[ . 1 . 2]" 1
810 1 70 THR H 1 71 MET H 3.630 . 3.630 2.835 2.559 3.218 . 0 0 "[ . 1 . 2]" 1
811 1 66 PRO HA 1 70 THR H 4.940 . 4.940 4.099 3.063 4.408 . 0 0 "[ . 1 . 2]" 1
812 1 68 PHE HA 1 70 THR H 5.500 . 5.500 4.137 3.827 4.919 . 0 0 "[ . 1 . 2]" 1
813 1 70 THR H 1 70 THR HB 3.640 . 3.640 2.487 2.339 2.671 . 0 0 "[ . 1 . 2]" 1
814 1 70 THR H 1 71 MET QG 4.410 . 4.410 4.091 3.797 4.446 0.036 2 0 "[ . 1 . 2]" 1
815 1 69 LEU HB3 1 70 THR H 3.700 . 3.700 2.881 2.329 3.090 . 0 0 "[ . 1 . 2]" 1
816 1 70 THR H 1 70 THR MG 3.810 . 3.810 3.745 3.713 3.768 . 0 0 "[ . 1 . 2]" 1
817 1 71 MET H 1 72 MET H 3.670 . 3.670 2.878 2.689 3.253 . 0 0 "[ . 1 . 2]" 1
818 1 67 GLU HA 1 71 MET H 4.260 . 4.260 3.798 3.428 4.065 . 0 0 "[ . 1 . 2]" 1
819 1 70 THR HB 1 71 MET H 4.060 . 4.060 2.070 1.937 2.400 . 0 0 "[ . 1 . 2]" 1
820 1 69 LEU HA 1 71 MET H 5.500 . 5.500 5.368 4.737 5.587 0.087 17 0 "[ . 1 . 2]" 1
821 1 71 MET H 1 71 MET QG 3.200 . 3.200 2.507 1.750 3.000 . 0 0 "[ . 1 . 2]" 1
822 1 71 MET H 1 73 ALA MB 5.050 . 5.050 5.044 4.886 5.207 0.157 9 0 "[ . 1 . 2]" 1
823 1 70 THR MG 1 71 MET H 4.110 . 4.110 2.915 2.511 3.450 . 0 0 "[ . 1 . 2]" 1
824 1 71 MET H 1 71 MET ME 5.500 . 5.500 3.239 2.820 3.670 . 0 0 "[ . 1 . 2]" 1
825 1 72 MET H 1 74 ARG H 5.020 . 5.020 4.287 3.851 5.536 0.516 8 1 "[ . + 1 . 2]" 1
826 1 70 THR HA 1 72 MET H 5.420 . 5.420 3.982 3.668 5.430 0.010 19 0 "[ . 1 . 2]" 1
827 1 70 THR HB 1 72 MET H 5.210 . 5.210 4.497 4.324 5.282 0.072 19 0 "[ . 1 . 2]" 1
828 1 71 MET HB2 1 72 MET H 5.180 . 5.180 4.144 2.762 4.423 . 0 0 "[ . 1 . 2]" 1
829 1 71 MET HB3 1 72 MET H 5.180 . 5.180 4.051 3.669 4.188 . 0 0 "[ . 1 . 2]" 1
830 1 71 MET QG 1 72 MET H 3.810 . 3.810 2.544 1.458 2.849 . 0 0 "[ . 1 . 2]" 1
831 1 72 MET H 1 72 MET QB 3.390 . 3.390 2.430 2.211 2.564 . 0 0 "[ . 1 . 2]" 1
832 1 72 MET H 1 72 MET QG . . 3.250 2.456 2.082 2.952 . 0 0 "[ . 1 . 2]" 1
833 1 69 LEU HA 1 73 ALA H 5.500 . 5.500 4.591 3.790 5.301 . 0 0 "[ . 1 . 2]" 1
834 1 73 ALA H 1 74 ARG H 3.800 . 3.800 2.848 2.553 3.524 . 0 0 "[ . 1 . 2]" 1
835 1 71 MET H 1 73 ALA H 5.500 . 5.500 4.250 3.728 4.357 . 0 0 "[ . 1 . 2]" 1
836 1 74 ARG H 1 75 LYS H 4.080 . 4.080 2.574 2.134 3.064 . 0 0 "[ . 1 . 2]" 1
837 1 71 MET HA 1 74 ARG H 4.840 . 4.840 4.202 3.797 4.732 . 0 0 "[ . 1 . 2]" 1
838 1 72 MET HA 1 74 ARG H 5.370 . 5.370 3.851 3.366 5.311 . 0 0 "[ . 1 . 2]" 1
839 1 74 ARG H 1 74 ARG HG2 4.330 . 4.330 3.137 1.708 4.063 . 0 0 "[ . 1 . 2]" 1
840 1 70 THR MG 1 74 ARG H 5.500 . 5.500 5.058 3.873 5.586 0.086 20 0 "[ . 1 . 2]" 1
841 1 72 MET QG 1 74 ARG H 5.500 . 5.500 4.549 4.225 5.147 . 0 0 "[ . 1 . 2]" 1
842 1 46 ALA MB 1 47 GLU H 3.830 . 3.830 2.487 2.349 2.646 . 0 0 "[ . 1 . 2]" 1
843 1 77 LYS H 1 77 LYS HG2 5.500 . 5.500 3.705 1.845 4.621 . 0 0 "[ . 1 . 2]" 1
844 1 77 LYS H 1 77 LYS HG3 5.500 . 5.500 3.447 2.241 4.805 . 0 0 "[ . 1 . 2]" 1
845 1 9 ILE HG12 1 10 ALA H 3.400 . 3.400 2.751 2.581 2.872 . 0 0 "[ . 1 . 2]" 1
846 1 28 THR HA 1 29 THR H 2.980 . 2.980 2.422 2.355 2.597 . 0 0 "[ . 1 . 2]" 1
847 1 17 SER H 1 18 LEU MD2 5.500 . 5.500 5.512 5.252 5.625 0.125 16 0 "[ . 1 . 2]" 1
848 1 18 LEU H 1 27 ILE MD 5.500 . 5.500 5.420 5.314 5.552 0.052 18 0 "[ . 1 . 2]" 1
849 1 25 GLY H 1 26 THR HA 5.340 . 5.340 4.793 4.655 4.912 . 0 0 "[ . 1 . 2]" 1
850 1 12 PHE QE 1 13 LYS H 4.880 . 4.880 4.182 3.995 4.310 . 0 0 "[ . 1 . 2]" 1
851 1 28 THR H 1 28 THR HB 3.550 . 3.550 2.727 2.509 3.359 . 0 0 "[ . 1 . 2]" 1
852 1 67 GLU H 1 69 LEU HB3 5.500 . 5.500 5.073 4.890 5.542 0.042 8 0 "[ . 1 . 2]" 1
853 1 3 GLN H 1 3 GLN QG 4.360 . 4.360 2.984 1.983 4.265 . 0 0 "[ . 1 . 2]" 1
854 1 3 GLN HA 1 4 LEU QB 5.340 . 5.340 4.289 3.915 5.023 . 0 0 "[ . 1 . 2]" 1
855 1 3 GLN HA 1 4 LEU QD 5.440 . 5.440 4.606 2.888 5.488 0.048 4 0 "[ . 1 . 2]" 1
856 1 3 GLN QB 1 4 LEU H 4.270 . 4.270 2.862 2.046 3.889 . 0 0 "[ . 1 . 2]" 1
857 1 4 LEU H 1 4 LEU QB 3.540 . 3.540 2.506 2.076 3.082 . 0 0 "[ . 1 . 2]" 1
858 1 4 LEU H 1 4 LEU QD 4.670 . 4.670 3.168 1.524 3.942 . 0 0 "[ . 1 . 2]" 1
859 1 4 LEU HA 1 4 LEU QD 3.610 . 3.610 2.414 1.974 3.259 . 0 0 "[ . 1 . 2]" 1
860 1 4 LEU QB 1 5 THR H 3.890 . 3.890 2.755 1.724 3.978 0.088 14 0 "[ . 1 . 2]" 1
861 1 4 LEU QB 1 8 GLN QG 5.180 . 5.180 4.008 2.116 4.721 . 0 0 "[ . 1 . 2]" 1
862 1 4 LEU QD 1 5 THR H 3.850 . 3.850 2.837 2.219 4.017 0.167 14 0 "[ . 1 . 2]" 1
863 1 4 LEU QD 1 5 THR HA 5.440 . 5.440 4.207 2.638 5.391 . 0 0 "[ . 1 . 2]" 1
864 1 4 LEU QD 1 8 GLN H 4.560 . 4.560 4.686 4.507 4.997 0.437 17 0 "[ . 1 . 2]" 1
865 1 4 LEU QD 1 8 GLN HA 4.790 . 4.790 4.593 4.160 4.985 0.195 6 0 "[ . 1 . 2]" 1
866 1 4 LEU QD 1 8 GLN HB2 4.150 . 4.150 3.169 2.438 3.725 . 0 0 "[ . 1 . 2]" 1
867 1 4 LEU QD 1 8 GLN HB3 3.850 . 3.850 2.584 2.044 2.887 . 0 0 "[ . 1 . 2]" 1
868 1 4 LEU QD 1 8 GLN QG 4.180 . 4.180 2.635 2.020 3.799 . 0 0 "[ . 1 . 2]" 1
869 1 4 LEU QD 1 9 ILE HA 5.050 . 5.050 3.928 3.240 4.697 . 0 0 "[ . 1 . 2]" 1
870 1 4 LEU QD 1 9 ILE MG 4.120 . 4.120 2.320 1.898 3.832 . 0 0 "[ . 1 . 2]" 1
871 1 4 LEU QD 1 69 LEU HG 4.730 . 4.730 3.987 2.918 5.623 0.893 16 1 "[ . 1 .+ 2]" 1
872 1 4 LEU QD 1 69 LEU QD 4.160 . 4.160 2.896 2.060 3.706 . 0 0 "[ . 1 . 2]" 1
873 1 5 THR H 1 8 GLN QG 4.140 . 4.140 3.439 2.636 4.078 . 0 0 "[ . 1 . 2]" 1
874 1 5 THR MG 1 6 GLU QB 4.620 . 4.620 3.638 2.761 4.208 . 0 0 "[ . 1 . 2]" 1
875 1 5 THR MG 1 7 GLU QG 4.030 . 4.030 2.957 1.974 3.779 . 0 0 "[ . 1 . 2]" 1
876 1 6 GLU H 1 6 GLU QB 3.290 . 3.290 2.233 2.193 2.261 . 0 0 "[ . 1 . 2]" 1
877 1 6 GLU H 1 6 GLU QG 4.000 . 4.000 3.966 3.932 4.058 0.058 5 0 "[ . 1 . 2]" 1
878 1 6 GLU HA 1 6 GLU QB 2.480 . 2.480 2.395 2.375 2.419 . 0 0 "[ . 1 . 2]" 1
879 1 6 GLU HA 1 6 GLU QG 2.910 . 2.910 2.433 2.322 2.783 . 0 0 "[ . 1 . 2]" 1
880 1 6 GLU QB 1 7 GLU H 3.130 . 3.130 2.254 2.079 2.558 . 0 0 "[ . 1 . 2]" 1
881 1 6 GLU QB 1 9 ILE MD 3.940 . 3.940 3.800 3.505 3.955 0.015 16 0 "[ . 1 . 2]" 1
882 1 6 GLU QG 1 9 ILE MG 5.340 . 5.340 5.210 4.900 5.622 0.282 1 0 "[ . 1 . 2]" 1
883 1 6 GLU QG 1 9 ILE HG12 5.340 . 5.340 3.939 3.739 4.230 . 0 0 "[ . 1 . 2]" 1
884 1 6 GLU QG 1 9 ILE MD 4.010 . 4.010 2.877 2.395 3.543 . 0 0 "[ . 1 . 2]" 1
885 1 7 GLU H 1 7 GLU QG 4.100 . 4.100 3.103 1.623 4.033 . 0 0 "[ . 1 . 2]" 1
886 1 7 GLU HA 1 7 GLU QG 3.100 . 3.100 2.851 2.444 3.367 0.267 3 0 "[ . 1 . 2]" 1
887 1 7 GLU QB 1 8 GLN H 4.020 . 4.020 2.437 2.149 3.134 . 0 0 "[ . 1 . 2]" 1
888 1 7 GLU QG 1 8 GLN H 4.110 . 4.110 2.559 1.618 3.124 . 0 0 "[ . 1 . 2]" 1
889 1 8 GLN H 1 8 GLN QG 3.980 . 3.980 3.055 1.891 4.042 0.062 16 0 "[ . 1 . 2]" 1
890 1 8 GLN HA 1 8 GLN QG 3.540 . 3.540 2.584 2.301 2.832 . 0 0 "[ . 1 . 2]" 1
891 1 8 GLN HA 1 11 GLU QB 4.150 . 4.150 2.520 2.435 2.622 . 0 0 "[ . 1 . 2]" 1
892 1 10 ALA H 1 11 GLU QB 4.520 . 4.520 4.393 4.291 4.619 0.099 5 0 "[ . 1 . 2]" 1
893 1 10 ALA HA 1 13 LYS QB 3.210 . 3.210 2.673 2.535 2.799 . 0 0 "[ . 1 . 2]" 1
894 1 10 ALA HA 1 13 LYS QG 5.270 . 5.270 4.383 4.107 4.729 . 0 0 "[ . 1 . 2]" 1
895 1 10 ALA MB 1 11 GLU QG 3.910 . 3.910 4.812 3.103 5.339 1.429 6 17 "[****.+****** ***-**2]" 1
896 1 11 GLU H 1 11 GLU QB 2.770 . 2.770 2.235 2.155 2.391 . 0 0 "[ . 1 . 2]" 1
897 1 11 GLU H 1 11 GLU QG 2.920 . 2.920 3.690 2.165 4.045 1.125 12 17 "[****.******+ ***-**2]" 1
898 1 11 GLU HA 1 11 GLU QG 3.310 . 3.310 2.432 2.253 2.742 . 0 0 "[ . 1 . 2]" 1
899 1 11 GLU QB 1 12 PHE H 3.430 . 3.430 2.457 2.354 2.588 . 0 0 "[ . 1 . 2]" 1
900 1 11 GLU QG 1 12 PHE H 4.640 . 4.640 3.864 3.579 4.372 . 0 0 "[ . 1 . 2]" 1
901 1 12 PHE QD 1 13 LYS QB 4.580 . 4.580 3.689 3.206 3.869 . 0 0 "[ . 1 . 2]" 1
902 1 13 LYS H 1 13 LYS QG 4.250 . 4.250 4.002 3.797 4.054 . 0 0 "[ . 1 . 2]" 1
903 1 13 LYS H 1 13 LYS QD 4.830 . 4.830 4.244 4.042 4.754 . 0 0 "[ . 1 . 2]" 1
904 1 13 LYS H 1 13 LYS QE 5.340 . 5.340 4.983 4.209 5.785 0.445 6 0 "[ . 1 . 2]" 1
905 1 13 LYS HA 1 13 LYS QB 2.620 . 2.620 2.372 2.312 2.495 . 0 0 "[ . 1 . 2]" 1
906 1 13 LYS QB 1 13 LYS QE 4.040 . 4.040 2.756 2.162 3.715 . 0 0 "[ . 1 . 2]" 1
907 1 13 LYS QD 1 13 LYS QG 2.370 . 2.370 2.064 1.994 2.103 . 0 0 "[ . 1 . 2]" 1
908 1 13 LYS QE 1 13 LYS QG 3.280 . 3.280 2.198 2.109 2.367 . 0 0 "[ . 1 . 2]" 1
909 1 13 LYS QG 1 17 SER H 5.340 . 5.340 4.146 3.703 5.059 . 0 0 "[ . 1 . 2]" 1
910 1 13 LYS QD 1 16 PHE QD 5.340 . 5.340 3.233 2.278 4.205 . 0 0 "[ . 1 . 2]" 1
911 1 13 LYS QD 1 17 SER H 5.340 . 5.340 4.239 3.268 5.129 . 0 0 "[ . 1 . 2]" 1
912 1 13 LYS QD 1 17 SER QB 4.720 . 4.720 3.630 2.357 4.243 . 0 0 "[ . 1 . 2]" 1
913 1 14 GLU H 1 14 GLU QG 3.010 . 3.010 2.232 2.117 2.347 . 0 0 "[ . 1 . 2]" 1
914 1 14 GLU HA 1 14 GLU QG 3.270 . 3.270 2.479 2.306 2.880 . 0 0 "[ . 1 . 2]" 1
915 1 15 ALA HA 1 18 LEU QB 5.340 . 5.340 2.743 2.286 2.910 . 0 0 "[ . 1 . 2]" 1
916 1 17 SER H 1 17 SER QB 3.260 . 3.260 2.250 2.199 2.402 . 0 0 "[ . 1 . 2]" 1
917 1 17 SER HA 1 20 ASP QB 3.670 . 3.670 2.986 2.654 3.186 . 0 0 "[ . 1 . 2]" 1
918 1 17 SER QB 1 18 LEU H 3.650 . 3.650 2.777 2.635 3.040 . 0 0 "[ . 1 . 2]" 1
919 1 17 SER QB 1 18 LEU MD2 4.000 . 4.000 3.911 3.546 4.201 0.201 18 0 "[ . 1 . 2]" 1
920 1 18 LEU H 1 18 LEU QB 3.340 . 3.340 2.360 2.246 2.407 . 0 0 "[ . 1 . 2]" 1
921 1 18 LEU QB 1 18 LEU MD1 3.260 . 3.260 2.101 2.088 2.126 . 0 0 "[ . 1 . 2]" 1
922 1 18 LEU QB 1 19 PHE HA 4.710 . 4.710 3.864 3.845 3.909 . 0 0 "[ . 1 . 2]" 1
923 1 19 PHE H 1 20 ASP QB 4.430 . 4.430 4.445 4.320 4.507 0.077 3 0 "[ . 1 . 2]" 1
924 1 20 ASP QB 1 22 ASP H 5.340 . 5.340 5.061 4.846 5.159 . 0 0 "[ . 1 . 2]" 1
925 1 20 ASP QB 1 23 GLY H 4.650 . 4.650 3.549 3.397 3.686 . 0 0 "[ . 1 . 2]" 1
926 1 20 ASP QB 1 27 ILE MD 3.800 . 3.800 3.775 3.535 3.943 0.143 19 0 "[ . 1 . 2]" 1
927 1 21 LYS H 1 21 LYS QB 3.320 . 3.320 2.658 2.446 2.749 . 0 0 "[ . 1 . 2]" 1
928 1 21 LYS H 1 21 LYS QE 4.710 . 4.710 4.243 3.951 4.738 0.028 2 0 "[ . 1 . 2]" 1
929 1 21 LYS QE 1 35 VAL QG 3.730 . 3.730 2.830 1.891 3.476 . 0 0 "[ . 1 . 2]" 1
930 1 22 ASP H 1 22 ASP QB 3.670 . 3.670 2.501 2.161 2.683 . 0 0 "[ . 1 . 2]" 1
931 1 22 ASP H 1 23 GLY QA 4.760 . 4.760 4.495 4.462 4.524 . 0 0 "[ . 1 . 2]" 1
932 1 22 ASP QB 1 23 GLY H 4.130 . 4.130 3.387 2.998 3.689 . 0 0 "[ . 1 . 2]" 1
933 1 22 ASP QB 1 24 ASP H 5.340 . 5.340 3.438 2.703 3.996 . 0 0 "[ . 1 . 2]" 1
934 1 23 GLY H 1 23 GLY QA 2.560 . 2.560 2.191 2.181 2.205 . 0 0 "[ . 1 . 2]" 1
935 1 25 GLY QA 1 26 THR HA 5.090 . 5.090 4.063 4.053 4.073 . 0 0 "[ . 1 . 2]" 1
936 1 25 GLY QA 1 26 THR MG 4.290 . 4.290 3.512 3.180 3.777 . 0 0 "[ . 1 . 2]" 1
937 1 26 THR HA 1 64 ASP QB 5.340 . 5.340 5.177 4.799 5.462 0.122 7 0 "[ . 1 . 2]" 1
938 1 26 THR MG 1 64 ASP QB 3.890 . 3.890 3.767 3.480 3.949 0.059 13 0 "[ . 1 . 2]" 1
939 1 28 THR MG 1 30 LYS QB 3.470 . 3.470 2.674 2.130 2.916 . 0 0 "[ . 1 . 2]" 1
940 1 28 THR MG 1 30 LYS QE 4.670 . 4.670 4.341 2.675 4.885 0.215 16 0 "[ . 1 . 2]" 1
941 1 29 THR H 1 30 LYS QB 5.340 . 5.340 4.661 4.437 4.769 . 0 0 "[ . 1 . 2]" 1
942 1 29 THR MG 1 49 GLN QG 3.680 . 3.680 2.187 1.924 2.348 . 0 0 "[ . 1 . 2]" 1
943 1 29 THR MG 1 61 GLY QA 5.030 . 5.030 4.077 3.172 5.164 0.134 15 0 "[ . 1 . 2]" 1
944 1 30 LYS H 1 30 LYS QB 2.990 . 2.990 2.356 2.236 2.408 . 0 0 "[ . 1 . 2]" 1
945 1 30 LYS HA 1 30 LYS QG 3.260 . 3.260 2.318 2.276 2.343 . 0 0 "[ . 1 . 2]" 1
946 1 30 LYS HA 1 30 LYS QD 4.760 . 4.760 3.999 3.916 4.156 . 0 0 "[ . 1 . 2]" 1
947 1 30 LYS QB 1 30 LYS QD 3.260 . 3.260 2.195 2.133 2.328 . 0 0 "[ . 1 . 2]" 1
948 1 30 LYS QB 1 31 GLU H 3.080 . 3.080 2.567 2.470 2.701 . 0 0 "[ . 1 . 2]" 1
949 1 30 LYS QB 1 31 GLU HG3 4.070 . 4.070 3.494 3.388 3.687 . 0 0 "[ . 1 . 2]" 1
950 1 32 LEU HA 1 36 MET QG 4.540 . 4.540 3.880 3.676 4.320 . 0 0 "[ . 1 . 2]" 1
951 1 32 LEU QB 1 36 MET QG 4.730 . 4.730 4.079 3.851 4.313 . 0 0 "[ . 1 . 2]" 1
952 1 32 LEU HG 1 36 MET QG 4.520 . 4.520 2.315 2.078 2.857 . 0 0 "[ . 1 . 2]" 1
953 1 32 LEU HG 1 48 LEU QB 3.460 . 3.460 4.332 4.009 4.679 1.219 17 20 [****-***********+***] 1
954 1 32 LEU QD 1 36 MET QB 4.510 . 4.510 3.763 3.421 4.273 . 0 0 "[ . 1 . 2]" 1
955 1 32 LEU QD 1 36 MET QG 3.610 . 3.610 2.287 2.012 3.300 . 0 0 "[ . 1 . 2]" 1
956 1 32 LEU QD 1 48 LEU QB . . 4.040 2.795 1.968 3.193 . 0 0 "[ . 1 . 2]" 1
957 1 33 GLY H 1 48 LEU QB 5.160 . 5.160 4.580 4.189 4.938 . 0 0 "[ . 1 . 2]" 1
958 1 33 GLY H 1 48 LEU QD 4.500 . 4.500 3.910 2.456 5.578 1.078 12 7 "[- *. * + *. * *]" 1
959 1 33 GLY QA 1 36 MET QB 4.650 . 4.650 2.560 2.444 2.755 . 0 0 "[ . 1 . 2]" 1
960 1 33 GLY QA 1 48 LEU QD 3.080 . 3.080 3.046 1.957 4.627 1.547 20 9 "[*- *. * * * *. * +]" 1
961 1 33 GLY QA 1 48 LEU QB 4.760 . 4.760 4.001 3.673 4.273 . 0 0 "[ . 1 . 2]" 1
962 1 34 THR H 1 48 LEU QD 5.060 . 5.060 5.625 4.385 7.206 2.146 20 9 "[*- *. * * * *. * +]" 1
963 1 34 THR HA 1 37 ARG QB 3.770 . 3.770 2.876 2.751 3.013 . 0 0 "[ . 1 . 2]" 1
964 1 35 VAL H 1 36 MET QB 5.340 . 5.340 4.725 4.676 4.787 . 0 0 "[ . 1 . 2]" 1
965 1 35 VAL H 1 37 ARG QB 5.310 . 5.310 5.176 4.996 5.330 0.020 4 0 "[ . 1 . 2]" 1
966 1 35 VAL H 1 48 LEU QD 5.440 . 5.440 6.157 5.198 7.419 1.979 20 9 "[*- *. * * * *. * +]" 1
967 1 35 VAL HA 1 38 SER QB 3.270 . 3.270 2.834 2.570 3.548 0.278 10 0 "[ . 1 . 2]" 1
968 1 35 VAL HB 1 36 MET QG 4.710 . 4.710 3.191 3.095 3.363 . 0 0 "[ . 1 . 2]" 1
969 1 35 VAL QG 1 36 MET QG 4.250 . 4.250 3.527 3.346 3.775 . 0 0 "[ . 1 . 2]" 1
970 1 35 VAL QG 1 38 SER QB 4.340 . 4.340 3.732 3.499 4.228 . 0 0 "[ . 1 . 2]" 1
971 1 36 MET H 1 36 MET QB 3.440 . 3.440 2.421 2.368 2.469 . 0 0 "[ . 1 . 2]" 1
972 1 36 MET H 1 36 MET QG 3.460 . 3.460 2.237 2.155 2.395 . 0 0 "[ . 1 . 2]" 1
973 1 36 MET QB 1 36 MET ME 3.280 . 3.280 2.498 2.319 3.356 0.076 5 0 "[ . 1 . 2]" 1
974 1 36 MET QB 1 48 LEU QD 3.040 . 3.040 3.335 2.541 4.379 1.339 4 9 "[** +. - * * *. * *]" 1
975 1 36 MET QG 1 37 ARG H 4.490 . 4.490 4.059 3.994 4.148 . 0 0 "[ . 1 . 2]" 1
976 1 36 MET QG 1 48 LEU QD 3.500 . 3.500 3.036 1.990 4.121 0.621 17 3 "[ *. - . + 2]" 1
977 1 37 ARG H 1 37 ARG QB 2.840 . 2.840 2.284 2.183 2.305 . 0 0 "[ . 1 . 2]" 1
978 1 38 SER H 1 38 SER QB 3.250 . 3.250 2.380 2.205 2.573 . 0 0 "[ . 1 . 2]" 1
979 1 38 SER QB 1 39 LEU H 3.540 . 3.540 3.012 2.749 3.588 0.048 15 0 "[ . 1 . 2]" 1
980 1 38 SER QB 1 39 LEU HG 3.760 . 3.760 3.414 3.027 4.049 0.289 15 0 "[ . 1 . 2]" 1
981 1 39 LEU HB2 1 40 GLY QA 5.340 . 5.340 4.587 4.503 4.697 . 0 0 "[ . 1 . 2]" 1
982 1 39 LEU MD1 1 41 GLN QB 4.640 . 4.640 4.199 3.753 4.660 0.020 14 0 "[ . 1 . 2]" 1
983 1 42 ASN QB 1 43 PRO QD 3.150 . 3.150 2.820 1.945 3.799 0.649 2 3 "[ + . - 1 .* 2]" 1
984 1 45 GLU H 1 45 GLU QB 3.680 . 3.680 2.397 2.233 2.861 . 0 0 "[ . 1 . 2]" 1
985 1 45 GLU H 1 45 GLU QG 4.510 . 4.510 2.868 1.686 3.957 . 0 0 "[ . 1 . 2]" 1
986 1 45 GLU HA 1 48 LEU QB 4.210 . 4.210 2.805 2.340 3.186 . 0 0 "[ . 1 . 2]" 1
987 1 45 GLU QB 1 48 LEU QB 5.040 . 5.040 4.231 3.719 4.678 . 0 0 "[ . 1 . 2]" 1
988 1 45 GLU QG 1 46 ALA H 4.630 . 4.630 2.964 1.656 4.014 . 0 0 "[ . 1 . 2]" 1
989 1 45 GLU QG 1 46 ALA MB 4.360 . 4.360 3.762 2.949 4.536 0.176 8 0 "[ . 1 . 2]" 1
990 1 45 GLU QG 1 47 GLU H 5.340 . 5.340 4.803 4.086 5.426 0.086 9 0 "[ . 1 . 2]" 1
991 1 45 GLU QG 1 48 LEU H 5.340 . 5.340 4.996 3.967 5.430 0.090 19 0 "[ . 1 . 2]" 1
992 1 46 ALA H 1 48 LEU QD 5.440 . 5.440 4.611 4.196 5.199 . 0 0 "[ . 1 . 2]" 1
993 1 46 ALA HA 1 49 GLN QG 4.910 . 4.910 3.578 3.356 3.930 . 0 0 "[ . 1 . 2]" 1
994 1 46 ALA MB 1 47 GLU QB 4.850 . 4.850 3.935 3.739 4.285 . 0 0 "[ . 1 . 2]" 1
995 1 47 GLU H 1 48 LEU QD 4.420 . 4.420 3.649 3.454 3.953 . 0 0 "[ . 1 . 2]" 1
996 1 47 GLU QB 1 48 LEU QD 5.020 . 5.020 2.309 2.168 2.475 . 0 0 "[ . 1 . 2]" 1
997 1 47 GLU QB 1 50 ASP QB 4.820 . 4.820 4.680 4.190 5.023 0.203 20 0 "[ . 1 . 2]" 1
998 1 48 LEU H 1 48 LEU QB 3.440 . 3.440 2.228 2.160 2.282 . 0 0 "[ . 1 . 2]" 1
999 1 48 LEU H 1 48 LEU QD 3.790 . 3.790 1.812 1.735 2.028 . 0 0 "[ . 1 . 2]" 1
1000 1 48 LEU HA 1 48 LEU QD 3.290 . 3.290 2.125 1.954 2.276 . 0 0 "[ . 1 . 2]" 1
1001 1 48 LEU QB 1 49 GLN H 3.710 . 3.710 2.388 2.296 2.487 . 0 0 "[ . 1 . 2]" 1
1002 1 48 LEU QB 1 49 GLN QB 4.550 . 4.550 4.304 4.240 4.370 . 0 0 "[ . 1 . 2]" 1
1003 1 49 GLN H 1 49 GLN QG 4.530 . 4.530 2.253 2.048 2.400 . 0 0 "[ . 1 . 2]" 1
1004 1 49 GLN QB 1 50 ASP QB 4.680 . 4.680 3.800 3.670 3.932 . 0 0 "[ . 1 . 2]" 1
1005 1 49 GLN QG 1 50 ASP H 4.820 . 4.820 4.213 4.108 4.314 . 0 0 "[ . 1 . 2]" 1
1006 1 49 GLN QG 1 52 ILE H 5.340 . 5.340 5.604 5.490 5.840 0.500 15 1 "[ . 1 + 2]" 1
1007 1 49 GLN QG 1 52 ILE MG 5.340 . 5.340 5.290 4.982 5.801 0.461 15 0 "[ . 1 . 2]" 1
1008 1 49 GLN QG 1 52 ILE MD 5.340 . 5.340 4.375 3.998 4.823 . 0 0 "[ . 1 . 2]" 1
1009 1 49 GLN QG 1 53 ASN H 5.340 . 5.340 5.711 5.475 5.872 0.532 20 4 "[ . 1 -** +]" 1
1010 1 50 ASP QB 1 51 MET QG 3.710 . 3.710 3.211 2.984 3.432 . 0 0 "[ . 1 . 2]" 1
1011 1 51 MET H 1 51 MET QG 4.320 . 4.320 2.323 2.071 2.527 . 0 0 "[ . 1 . 2]" 1
1012 1 51 MET QB 1 51 MET ME 4.070 . 4.070 3.583 2.835 3.691 . 0 0 "[ . 1 . 2]" 1
1013 1 52 ILE H 1 55 VAL QG 5.440 . 5.440 4.045 3.767 4.621 . 0 0 "[ . 1 . 2]" 1
1014 1 52 ILE HA 1 55 VAL QG 4.350 . 4.350 2.279 2.011 3.303 . 0 0 "[ . 1 . 2]" 1
1015 1 52 ILE HA 1 63 ILE QG 4.270 . 4.270 3.911 3.431 4.503 0.233 15 0 "[ . 1 . 2]" 1
1016 1 52 ILE HB 1 63 ILE QG 5.020 . 5.020 4.888 4.624 5.330 0.310 18 0 "[ . 1 . 2]" 1
1017 1 52 ILE MG 1 56 ASP QB 3.430 . 3.430 2.945 2.299 3.658 0.228 2 0 "[ . 1 . 2]" 1
1018 1 52 ILE MG 1 63 ILE QG 3.150 . 3.150 2.706 2.189 3.144 . 0 0 "[ . 1 . 2]" 1
1019 1 52 ILE QG 1 63 ILE QG 3.440 . 3.440 2.681 2.264 3.321 . 0 0 "[ . 1 . 2]" 1
1020 1 52 ILE MD 1 61 GLY QA 5.340 . 5.340 4.715 4.255 5.076 . 0 0 "[ . 1 . 2]" 1
1021 1 52 ILE MD 1 63 ILE QG 3.930 . 3.930 2.836 2.355 3.457 . 0 0 "[ . 1 . 2]" 1
1022 1 53 ASN H 1 56 ASP QB 5.340 . 5.340 4.706 4.373 5.379 0.039 18 0 "[ . 1 . 2]" 1
1023 1 54 GLU H 1 55 VAL QG 4.530 . 4.530 3.536 3.285 4.047 . 0 0 "[ . 1 . 2]" 1
1024 1 55 VAL H 1 55 VAL QG 3.640 . 3.640 1.877 1.740 2.221 . 0 0 "[ . 1 . 2]" 1
1025 1 55 VAL QG 1 56 ASP H 3.880 . 3.880 2.873 1.579 3.475 . 0 0 "[ . 1 . 2]" 1
1026 1 55 VAL QG 1 56 ASP QB 5.280 . 5.280 3.852 3.016 4.259 . 0 0 "[ . 1 . 2]" 1
1027 1 55 VAL QG 1 63 ILE MG 3.610 . 3.610 3.431 2.600 4.048 0.438 18 0 "[ . 1 . 2]" 1
1028 1 55 VAL QG 1 63 ILE QG 5.130 . 5.130 3.393 2.600 3.986 . 0 0 "[ . 1 . 2]" 1
1029 1 55 VAL QG 1 63 ILE MD 3.510 . 3.510 2.203 1.953 2.737 . 0 0 "[ . 1 . 2]" 1
1030 1 55 VAL QG 1 67 GLU QG 5.280 . 5.280 4.962 3.100 5.613 0.333 15 0 "[ . 1 . 2]" 1
1031 1 55 VAL QG 1 71 MET QB 3.580 . 3.580 3.376 2.571 4.953 1.373 19 3 "[ . * 1 . -+2]" 1
1032 1 56 ASP QB 1 57 ALA MB 5.340 . 5.340 4.671 3.830 5.122 . 0 0 "[ . 1 . 2]" 1
1033 1 56 ASP QB 1 59 GLY H 4.420 . 4.420 2.911 2.194 3.502 . 0 0 "[ . 1 . 2]" 1
1034 1 56 ASP QB 1 60 ASN H 5.340 . 5.340 3.655 1.983 4.664 . 0 0 "[ . 1 . 2]" 1
1035 1 56 ASP QB 1 61 GLY H 5.040 . 5.040 3.018 2.348 3.807 . 0 0 "[ . 1 . 2]" 1
1036 1 56 ASP QB 1 62 THR H 4.560 . 4.560 3.916 2.907 4.657 0.097 8 0 "[ . 1 . 2]" 1
1037 1 56 ASP QB 1 63 ILE MD 3.930 . 3.930 3.728 2.640 5.447 1.517 7 2 "[ - + 1 . 2]" 1
1038 1 57 ALA H 1 58 ASP QB 4.830 . 4.830 4.794 4.249 5.542 0.712 15 2 "[ - . 1 + 2]" 1
1039 1 57 ALA H 1 59 GLY QA 5.340 . 5.340 4.837 3.610 5.378 0.038 18 0 "[ . 1 . 2]" 1
1040 1 57 ALA MB 1 58 ASP QB 4.260 . 4.260 3.727 3.242 4.135 . 0 0 "[ . 1 . 2]" 1
1041 1 58 ASP QB 1 59 GLY H 4.380 . 4.380 3.323 2.798 3.954 . 0 0 "[ . 1 . 2]" 1
1042 1 58 ASP QB 1 60 ASN H 4.490 . 4.490 2.975 2.283 4.723 0.233 18 0 "[ . 1 . 2]" 1
1043 1 59 GLY QA 1 60 ASN H 3.060 . 3.060 2.824 2.300 2.909 . 0 0 "[ . 1 . 2]" 1
1044 1 60 ASN H 1 60 ASN QB 3.340 . 3.340 2.322 2.169 2.857 . 0 0 "[ . 1 . 2]" 1
1045 1 60 ASN H 1 61 GLY QA 4.170 . 4.170 4.329 3.859 4.432 0.262 5 0 "[ . 1 . 2]" 1
1046 1 63 ILE H 1 63 ILE QG 3.530 . 3.530 2.427 2.304 2.752 . 0 0 "[ . 1 . 2]" 1
1047 1 63 ILE MG 1 67 GLU QG 4.300 . 4.300 3.627 3.265 3.926 . 0 0 "[ . 1 . 2]" 1
1048 1 63 ILE MG 1 68 PHE QB 3.450 . 3.450 2.306 2.078 2.537 . 0 0 "[ . 1 . 2]" 1
1049 1 63 ILE QG 1 64 ASP H 5.340 . 5.340 4.696 3.940 4.856 . 0 0 "[ . 1 . 2]" 1
1050 1 64 ASP H 1 67 GLU QB 3.840 . 3.840 2.613 2.028 3.029 . 0 0 "[ . 1 . 2]" 1
1051 1 64 ASP HA 1 66 PRO QD 5.350 . 5.350 3.962 3.712 4.254 . 0 0 "[ . 1 . 2]" 1
1052 1 64 ASP QB 1 66 PRO QD 4.000 . 4.000 2.176 1.934 2.436 . 0 0 "[ . 1 . 2]" 1
1053 1 65 PHE H 1 65 PHE QB 3.410 . 3.410 2.386 2.026 2.951 . 0 0 "[ . 1 . 2]" 1
1054 1 65 PHE H 1 66 PRO QD 3.480 . 3.480 2.236 1.923 2.385 . 0 0 "[ . 1 . 2]" 1
1055 1 65 PHE HA 1 68 PHE QB 4.490 . 4.490 3.474 2.852 3.977 . 0 0 "[ . 1 . 2]" 1
1056 1 65 PHE QB 1 66 PRO QD 3.310 . 3.310 2.006 1.883 2.276 . 0 0 "[ . 1 . 2]" 1
1057 1 65 PHE QD 1 66 PRO QD 4.480 . 4.480 3.040 2.071 3.726 . 0 0 "[ . 1 . 2]" 1
1058 1 66 PRO QB 1 67 GLU H 4.030 . 4.030 2.826 2.308 3.216 . 0 0 "[ . 1 . 2]" 1
1059 1 66 PRO QB 1 69 LEU QD 4.430 . 4.430 3.967 3.587 4.508 0.078 6 0 "[ . 1 . 2]" 1
1060 1 66 PRO QD 1 67 GLU H 3.470 . 3.470 2.901 2.106 3.090 . 0 0 "[ . 1 . 2]" 1
1061 1 67 GLU H 1 67 GLU QB 2.980 . 2.980 2.456 2.368 2.556 . 0 0 "[ . 1 . 2]" 1
1062 1 67 GLU H 1 68 PHE QB 5.340 . 5.340 4.629 4.424 4.865 . 0 0 "[ . 1 . 2]" 1
1063 1 67 GLU QB 1 68 PHE H 4.080 . 4.080 2.352 2.240 2.572 . 0 0 "[ . 1 . 2]" 1
1064 1 67 GLU QG 1 68 PHE H 4.360 . 4.360 3.973 3.879 4.104 . 0 0 "[ . 1 . 2]" 1
1065 1 68 PHE QB 1 69 LEU H 3.560 . 3.560 2.310 1.948 2.431 . 0 0 "[ . 1 . 2]" 1
1066 1 68 PHE QB 1 71 MET ME 4.180 . 4.180 3.594 3.078 3.938 . 0 0 "[ . 1 . 2]" 1
1067 1 70 THR HB 1 71 MET QB 5.180 . 5.180 3.857 3.715 4.447 . 0 0 "[ . 1 . 2]" 1
1068 1 70 THR MG 1 74 ARG QG 3.830 . 3.830 3.545 2.049 4.065 0.235 9 0 "[ . 1 . 2]" 1
1069 1 70 THR MG 1 74 ARG QD 4.950 . 4.950 3.746 2.246 4.817 . 0 0 "[ . 1 . 2]" 1
1070 1 71 MET H 1 71 MET QB 3.550 . 3.550 2.322 2.160 2.690 . 0 0 "[ . 1 . 2]" 1
1071 1 71 MET H 1 72 MET QG 5.340 . 5.340 4.691 4.366 5.352 0.012 12 0 "[ . 1 . 2]" 1
1072 1 71 MET HA 1 74 ARG QG 4.060 . 4.060 2.623 2.078 4.078 0.018 10 0 "[ . 1 . 2]" 1
1073 1 71 MET QB 1 71 MET ME 3.650 . 3.650 2.232 1.999 2.581 . 0 0 "[ . 1 . 2]" 1
1074 1 71 MET QB 1 72 MET H 4.440 . 4.440 3.626 2.686 3.757 . 0 0 "[ . 1 . 2]" 1
1075 1 72 MET ME 1 72 MET QG 3.420 . 3.420 2.181 2.120 2.246 . 0 0 "[ . 1 . 2]" 1
1076 1 72 MET QG 1 73 ALA HA 4.070 . 4.070 3.493 3.044 4.012 . 0 0 "[ . 1 . 2]" 1
1077 1 72 MET QG 1 73 ALA MB 3.920 . 3.920 2.977 2.438 3.307 . 0 0 "[ . 1 . 2]" 1
1078 1 73 ALA H 1 74 ARG QG 4.090 . 4.090 3.676 3.404 4.236 0.146 19 0 "[ . 1 . 2]" 1
1079 1 73 ALA MB 1 74 ARG QG 3.830 . 3.830 3.815 2.800 5.150 1.320 19 3 "[ . -*1 . +2]" 1
1080 1 73 ALA MB 1 74 ARG QD 5.340 . 5.340 4.966 2.742 5.677 0.337 1 0 "[ . 1 . 2]" 1
1081 1 74 ARG H 1 74 ARG QB 3.560 . 3.560 2.436 2.256 2.911 . 0 0 "[ . 1 . 2]" 1
1082 1 74 ARG H 1 74 ARG QG 3.550 . 3.550 2.356 1.702 3.103 . 0 0 "[ . 1 . 2]" 1
1083 1 74 ARG H 1 74 ARG QD 4.290 . 4.290 3.701 2.344 4.499 0.209 8 0 "[ . 1 . 2]" 1
1084 1 74 ARG HA 1 74 ARG QG 3.700 . 3.700 2.554 2.212 3.302 . 0 0 "[ . 1 . 2]" 1
1085 1 74 ARG QB 1 74 ARG QD 2.740 . 2.740 2.361 2.122 2.887 0.147 6 0 "[ . 1 . 2]" 1
1086 1 74 ARG QD 1 75 LYS H 5.340 . 5.340 5.043 4.110 5.576 0.236 5 0 "[ . 1 . 2]" 1
1087 1 75 LYS H 1 75 LYS QB 3.140 . 3.140 2.621 2.254 3.303 0.163 12 0 "[ . 1 . 2]" 1
1088 1 76 MET H 1 76 MET QB 3.420 . 3.420 2.586 2.196 3.228 . 0 0 "[ . 1 . 2]" 1
1089 1 76 MET H 1 76 MET QG 4.980 . 4.980 3.038 1.761 4.351 . 0 0 "[ . 1 . 2]" 1
1090 1 76 MET QB 1 77 LYS H 4.250 . 4.250 2.785 1.736 4.023 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 7
_Distance_constraint_stats_list.Viol_count 59
_Distance_constraint_stats_list.Viol_total 315.860
_Distance_constraint_stats_list.Viol_max 1.977
_Distance_constraint_stats_list.Viol_rms 0.2896
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1128
_Distance_constraint_stats_list.Viol_average_violations_only 0.2677
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 22 ASP 2.537 0.275 17 0 "[ . 1 . 2]"
1 24 ASP 0.273 0.222 14 0 "[ . 1 . 2]"
1 26 THR 3.176 0.361 14 0 "[ . 1 . 2]"
1 31 GLU 1.967 1.106 16 1 "[ . 1 .+ 2]"
1 62 THR 0.068 0.059 10 0 "[ . 1 . 2]"
1 64 ASP 7.772 1.977 6 5 "[- .+ * *. *]"
3 1 CA 7.953 1.106 16 1 "[ . 1 .+ 2]"
4 1 CA 7.840 1.977 6 5 "[- .+ * *. *]"
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 22 ASP OD2 3 1 CA CA 1.800 . 3.000 3.111 2.825 3.275 0.275 17 0 "[ . 1 . 2]" 2
2 1 24 ASP OD1 3 1 CA CA 1.800 . 3.000 2.775 2.634 3.222 0.222 14 0 "[ . 1 . 2]" 2
3 1 24 ASP OD2 3 1 CA CA 1.800 . 3.000 2.650 2.591 3.051 0.051 14 0 "[ . 1 . 2]" 2
4 1 26 THR OG1 3 1 CA CA 1.800 . 3.000 3.159 3.050 3.361 0.361 14 0 "[ . 1 . 2]" 2
5 1 31 GLU OE2 3 1 CA CA 1.800 . 3.000 2.895 2.608 4.106 1.106 16 1 "[ . 1 .+ 2]" 2
6 1 62 THR O 4 1 CA CA 1.800 . 3.000 2.826 2.655 3.059 0.059 10 0 "[ . 1 . 2]" 2
7 1 64 ASP OD1 4 1 CA CA 1.800 . 3.000 3.330 2.654 4.977 1.977 6 5 "[- .+ * *. *]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 499
_Distance_constraint_stats_list.Viol_total 1162.018
_Distance_constraint_stats_list.Viol_max 0.622
_Distance_constraint_stats_list.Viol_rms 0.0924
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0538
_Distance_constraint_stats_list.Viol_average_violations_only 0.1164
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLU 2.390 0.139 8 0 "[ . 1 . 2]"
1 8 GLN 0.139 0.047 16 0 "[ . 1 . 2]"
1 9 ILE 1.408 0.133 6 0 "[ . 1 . 2]"
1 10 ALA 0.110 0.044 17 0 "[ . 1 . 2]"
1 11 GLU 2.773 0.139 8 0 "[ . 1 . 2]"
1 12 PHE 0.638 0.074 19 0 "[ . 1 . 2]"
1 13 LYS 1.537 0.133 6 0 "[ . 1 . 2]"
1 14 GLU 1.737 0.163 3 0 "[ . 1 . 2]"
1 15 ALA 3.408 0.190 20 0 "[ . 1 . 2]"
1 16 PHE 0.498 0.074 19 0 "[ . 1 . 2]"
1 17 SER 0.129 0.053 19 0 "[ . 1 . 2]"
1 18 LEU 1.627 0.163 3 0 "[ . 1 . 2]"
1 19 PHE 3.025 0.190 20 0 "[ . 1 . 2]"
1 27 ILE 6.973 0.340 3 0 "[ . 1 . 2]"
1 29 THR 0.822 0.182 14 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 6.986 0.309 11 0 "[ . 1 . 2]"
1 32 LEU 0.162 0.074 5 0 "[ . 1 . 2]"
1 33 GLY 1.022 0.182 14 0 "[ . 1 . 2]"
1 34 THR 0.246 0.057 11 0 "[ . 1 . 2]"
1 35 VAL 18.317 0.603 16 5 "[ . -1 * *+ *]"
1 36 MET 0.162 0.074 5 0 "[ . 1 . 2]"
1 37 ARG 0.199 0.079 5 0 "[ . 1 . 2]"
1 38 SER 0.246 0.057 11 0 "[ . 1 . 2]"
1 39 LEU 11.331 0.603 16 5 "[ . -1 * *+ *]"
1 45 GLU 3.919 0.235 9 0 "[ . 1 . 2]"
1 46 ALA 1.592 0.293 18 0 "[ . 1 . 2]"
1 47 GLU 0.873 0.234 18 0 "[ . 1 . 2]"
1 48 LEU 0.673 0.094 17 0 "[ . 1 . 2]"
1 49 GLN 7.558 0.266 9 0 "[ . 1 . 2]"
1 50 ASP 1.592 0.293 18 0 "[ . 1 . 2]"
1 51 MET 0.873 0.234 18 0 "[ . 1 . 2]"
1 52 ILE 0.673 0.094 17 0 "[ . 1 . 2]"
1 53 ASN 3.639 0.266 9 0 "[ . 1 . 2]"
1 63 ILE 6.973 0.340 3 0 "[ . 1 . 2]"
1 65 PHE 4.010 0.297 8 0 "[ . 1 . 2]"
1 66 PRO 1.348 0.428 8 0 "[ . 1 . 2]"
1 67 GLU 0.735 0.248 8 0 "[ . 1 . 2]"
1 68 PHE 4.882 0.622 8 1 "[ . + 1 . 2]"
1 69 LEU 4.010 0.297 8 0 "[ . 1 . 2]"
1 70 THR 1.348 0.428 8 0 "[ . 1 . 2]"
1 71 MET 0.735 0.248 8 0 "[ . 1 . 2]"
1 72 MET 4.882 0.622 8 1 "[ . + 1 . 2]"
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_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 27 ILE O 1 63 ILE H 2.100 . 2.100 2.046 1.860 2.217 0.117 16 0 "[ . 1 . 2]" 3
2 1 27 ILE O 1 63 ILE N 3.100 2.700 3.100 2.967 2.780 3.169 0.069 16 0 "[ . 1 . 2]" 3
3 1 27 ILE H 1 63 ILE O 2.100 . 2.100 2.307 2.093 2.440 0.340 3 0 "[ . 1 . 2]" 3
4 1 27 ILE N 1 63 ILE O 3.100 2.700 3.100 3.216 3.056 3.314 0.214 10 0 "[ . 1 . 2]" 3
5 1 7 GLU O 1 11 GLU H 2.100 . 2.100 1.705 1.632 2.063 0.068 9 0 "[ . 1 . 2]" 3
6 1 7 GLU O 1 11 GLU N 3.100 2.700 3.100 2.616 2.561 2.971 0.139 8 0 "[ . 1 . 2]" 3
7 1 8 GLN O 1 12 PHE H 2.100 . 2.100 2.055 1.936 2.147 0.047 16 0 "[ . 1 . 2]" 3
8 1 8 GLN O 1 12 PHE N 3.100 2.700 3.100 2.978 2.869 3.057 . 0 0 "[ . 1 . 2]" 3
9 1 9 ILE O 1 13 LYS H 2.100 . 2.100 2.149 2.039 2.233 0.133 6 0 "[ . 1 . 2]" 3
10 1 9 ILE O 1 13 LYS N 3.100 2.700 3.100 3.102 3.000 3.191 0.091 6 0 "[ . 1 . 2]" 3
11 1 10 ALA O 1 14 GLU H 2.100 . 2.100 2.010 1.823 2.144 0.044 17 0 "[ . 1 . 2]" 3
12 1 10 ALA O 1 14 GLU N 3.100 2.700 3.100 2.952 2.741 3.096 . 0 0 "[ . 1 . 2]" 3
13 1 11 GLU O 1 15 ALA H 2.100 . 2.100 2.065 1.875 2.169 0.069 15 0 "[ . 1 . 2]" 3
14 1 11 GLU O 1 15 ALA N 3.100 2.700 3.100 3.043 2.852 3.148 0.048 15 0 "[ . 1 . 2]" 3
15 1 12 PHE O 1 16 PHE H 2.100 . 2.100 1.802 1.695 2.016 0.005 17 0 "[ . 1 . 2]" 3
16 1 12 PHE O 1 16 PHE N 3.100 2.700 3.100 2.732 2.626 2.955 0.074 19 0 "[ . 1 . 2]" 3
17 1 13 LYS O 1 17 SER H 2.100 . 2.100 1.905 1.720 2.153 0.053 19 0 "[ . 1 . 2]" 3
18 1 13 LYS O 1 17 SER N 3.100 2.700 3.100 2.866 2.686 3.114 0.014 19 0 "[ . 1 . 2]" 3
19 1 14 GLU O 1 18 LEU H 2.100 . 2.100 2.173 2.033 2.263 0.163 3 0 "[ . 1 . 2]" 3
20 1 14 GLU O 1 18 LEU N 3.100 2.700 3.100 3.040 2.930 3.118 0.018 3 0 "[ . 1 . 2]" 3
21 1 15 ALA O 1 19 PHE H 2.100 . 2.100 2.207 2.064 2.290 0.190 20 0 "[ . 1 . 2]" 3
22 1 15 ALA O 1 19 PHE N 3.100 2.700 3.100 3.136 3.004 3.225 0.125 20 0 "[ . 1 . 2]" 3
23 1 29 THR O 1 33 GLY H 2.100 . 2.100 1.856 1.738 2.038 . 0 0 "[ . 1 . 2]" 3
24 1 29 THR O 1 33 GLY N 3.100 2.700 3.100 2.707 2.518 2.950 0.182 14 0 "[ . 1 . 2]" 3
25 1 30 LYS O 1 34 THR H 2.100 . 2.100 1.962 1.870 2.058 . 0 0 "[ . 1 . 2]" 3
26 1 30 LYS O 1 34 THR N 3.100 2.700 3.100 2.868 2.796 2.935 . 0 0 "[ . 1 . 2]" 3
27 1 31 GLU O 1 35 VAL H 2.100 . 2.100 2.303 2.236 2.409 0.309 11 0 "[ . 1 . 2]" 3
28 1 31 GLU O 1 35 VAL N 3.100 2.700 3.100 3.246 3.174 3.358 0.258 11 0 "[ . 1 . 2]" 3
29 1 32 LEU O 1 36 MET H 2.100 . 2.100 1.817 1.695 2.174 0.074 5 0 "[ . 1 . 2]" 3
30 1 32 LEU O 1 36 MET N 3.100 2.700 3.100 2.753 2.642 3.030 0.058 20 0 "[ . 1 . 2]" 3
31 1 33 GLY O 1 37 ARG H 2.100 . 2.100 1.905 1.691 2.179 0.079 5 0 "[ . 1 . 2]" 3
32 1 33 GLY O 1 37 ARG N 3.100 2.700 3.100 2.825 2.630 3.087 0.070 19 0 "[ . 1 . 2]" 3
33 1 34 THR O 1 38 SER H 2.100 . 2.100 1.798 1.692 2.104 0.008 20 0 "[ . 1 . 2]" 3
34 1 34 THR O 1 38 SER N 3.100 2.700 3.100 2.755 2.643 3.076 0.057 11 0 "[ . 1 . 2]" 3
35 1 35 VAL O 1 39 LEU H 2.100 . 2.100 2.515 2.271 2.703 0.603 16 5 "[ . -1 * *+ *]" 3
36 1 35 VAL O 1 39 LEU N 3.100 2.700 3.100 3.252 3.124 3.386 0.286 16 0 "[ . 1 . 2]" 3
37 1 45 GLU O 1 49 GLN H 2.100 . 2.100 2.095 1.576 2.335 0.235 9 0 "[ . 1 . 2]" 3
38 1 45 GLU O 1 49 GLN N 3.100 2.700 3.100 3.043 2.507 3.291 0.193 6 0 "[ . 1 . 2]" 3
39 1 46 ALA O 1 50 ASP H 2.100 . 2.100 2.165 1.944 2.393 0.293 18 0 "[ . 1 . 2]" 3
40 1 46 ALA O 1 50 ASP N 3.100 2.700 3.100 3.010 2.868 3.105 0.005 20 0 "[ . 1 . 2]" 3
41 1 47 GLU O 1 51 MET H 2.100 . 2.100 2.036 1.731 2.334 0.234 18 0 "[ . 1 . 2]" 3
42 1 47 GLU O 1 51 MET N 3.100 2.700 3.100 2.939 2.665 3.193 0.093 18 0 "[ . 1 . 2]" 3
43 1 48 LEU O 1 52 ILE H 2.100 . 2.100 1.782 1.638 2.138 0.062 17 0 "[ . 1 . 2]" 3
44 1 48 LEU O 1 52 ILE N 3.100 2.700 3.100 2.753 2.606 3.086 0.094 17 0 "[ . 1 . 2]" 3
45 1 49 GLN O 1 53 ASN H 2.100 . 2.100 2.232 1.965 2.366 0.266 9 0 "[ . 1 . 2]" 3
46 1 49 GLN O 1 53 ASN N 3.100 2.700 3.100 3.111 2.848 3.217 0.117 2 0 "[ . 1 . 2]" 3
47 1 65 PHE O 1 69 LEU H 2.100 . 2.100 2.217 2.083 2.397 0.297 8 0 "[ . 1 . 2]" 3
48 1 65 PHE O 1 69 LEU N 3.100 2.700 3.100 3.176 3.029 3.338 0.238 8 0 "[ . 1 . 2]" 3
49 1 66 PRO O 1 70 THR H 2.100 . 2.100 1.946 1.384 2.163 0.316 8 0 "[ . 1 . 2]" 3
50 1 66 PRO O 1 70 THR N 3.100 2.700 3.100 2.762 2.272 2.988 0.428 8 0 "[ . 1 . 2]" 3
51 1 67 GLU O 1 71 MET H 2.100 . 2.100 1.995 1.759 2.348 0.248 8 0 "[ . 1 . 2]" 3
52 1 67 GLU O 1 71 MET N 3.100 2.700 3.100 2.903 2.715 3.325 0.225 8 0 "[ . 1 . 2]" 3
53 1 68 PHE O 1 72 MET H 2.100 . 2.100 2.295 2.026 2.722 0.622 8 1 "[ . + 1 . 2]" 3
54 1 68 PHE O 1 72 MET N 3.100 2.700 3.100 3.054 2.830 3.499 0.399 8 0 "[ . 1 . 2]" 3
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