NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509978 |
2l9u   |
17488 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l9u
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 715
_Distance_constraint_stats_list.Viol_count 2672
_Distance_constraint_stats_list.Viol_total 5418.781
_Distance_constraint_stats_list.Viol_max 1.941
_Distance_constraint_stats_list.Viol_rms 0.0804
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0189
_Distance_constraint_stats_list.Viol_average_violations_only 0.1014
_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 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLY 0.002 0.002 13 0 "[ . 1 . 2]"
1 3 ARG 3.693 0.349 5 0 "[ . 1 . 2]"
1 4 THR 19.651 0.760 13 20 [************+***-***]
1 5 HIS 16.602 0.760 13 20 [************+***-***]
1 6 LEU 10.233 0.303 13 0 "[ . 1 . 2]"
1 7 THR 10.117 0.221 20 0 "[ . 1 . 2]"
1 8 MET 6.035 0.221 20 0 "[ . 1 . 2]"
1 9 ALA 15.255 0.490 15 0 "[ . 1 . 2]"
1 10 LEU 17.082 0.490 15 0 "[ . 1 . 2]"
1 11 THR 2.593 0.064 5 0 "[ . 1 . 2]"
1 12 VAL 1.327 0.034 18 0 "[ . 1 . 2]"
1 13 ILE 3.247 0.061 2 0 "[ . 1 . 2]"
1 14 ALA 2.691 0.092 15 0 "[ . 1 . 2]"
1 15 GLY 1.704 0.092 15 0 "[ . 1 . 2]"
1 16 LEU 11.948 0.612 8 20 [*-*****+************]
1 17 VAL 4.410 0.127 11 0 "[ . 1 . 2]"
1 18 VAL 6.941 0.225 6 0 "[ . 1 . 2]"
1 19 ILE 3.331 0.131 16 0 "[ . 1 . 2]"
1 20 PHE 34.226 0.723 2 20 [*+******************]
1 21 MET 5.288 0.225 6 0 "[ . 1 . 2]"
1 22 MET 3.680 0.139 19 0 "[ . 1 . 2]"
1 23 LEU 20.713 0.723 2 20 [*+*************-****]
1 24 GLY 6.240 0.185 4 0 "[ . 1 . 2]"
1 25 GLY 2.540 0.139 19 0 "[ . 1 . 2]"
1 26 THR 3.309 0.140 10 0 "[ . 1 . 2]"
1 27 PHE 9.603 1.941 10 4 "[ . + .*- *2]"
1 28 LEU 5.244 0.110 16 0 "[ . 1 . 2]"
1 29 TYR 6.532 0.185 9 0 "[ . 1 . 2]"
1 30 TRP 6.563 0.140 10 0 "[ . 1 . 2]"
1 31 ARG 9.325 1.926 10 4 "[ . + .*- *2]"
1 32 GLY 0.164 0.041 7 0 "[ . 1 . 2]"
1 33 ARG 1.556 0.085 15 0 "[ . 1 . 2]"
1 34 ARG 1.171 0.180 10 0 "[ . 1 . 2]"
1 35 HIS 0.222 0.080 10 0 "[ . 1 . 2]"
1 36 HIS 0.111 0.085 18 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 GLY 0.564 0.070 12 0 "[ . 1 . 2]"
2 3 ARG 4.861 0.206 14 0 "[ . 1 . 2]"
2 4 THR 25.586 0.772 4 20 [***+**-*************]
2 5 HIS 17.094 0.772 4 20 [***+**-*************]
2 6 LEU 14.133 0.383 4 0 "[ . 1 . 2]"
2 7 THR 9.839 0.185 13 0 "[ . 1 . 2]"
2 8 MET 5.112 0.185 13 0 "[ . 1 . 2]"
2 9 ALA 15.089 0.491 20 0 "[ . 1 . 2]"
2 10 LEU 17.240 0.491 20 0 "[ . 1 . 2]"
2 11 THR 2.639 0.065 19 0 "[ . 1 . 2]"
2 12 VAL 1.589 0.042 13 0 "[ . 1 . 2]"
2 13 ILE 3.100 0.057 2 0 "[ . 1 . 2]"
2 14 ALA 2.852 0.092 15 0 "[ . 1 . 2]"
2 15 GLY 1.700 0.092 15 0 "[ . 1 . 2]"
2 16 LEU 11.925 0.612 18 20 [*-***************+**]
2 17 VAL 4.492 0.127 11 0 "[ . 1 . 2]"
2 18 VAL 6.830 0.219 6 0 "[ . 1 . 2]"
2 19 ILE 3.322 0.131 16 0 "[ . 1 . 2]"
2 20 PHE 34.997 0.738 11 20 [*-********+*********]
2 21 MET 5.221 0.219 6 0 "[ . 1 . 2]"
2 22 MET 3.486 0.131 19 0 "[ . 1 . 2]"
2 23 LEU 21.011 0.738 11 20 [**********+****-****]
2 24 GLY 6.638 0.185 4 0 "[ . 1 . 2]"
2 25 GLY 2.355 0.131 19 0 "[ . 1 . 2]"
2 26 THR 2.377 0.108 15 0 "[ . 1 . 2]"
2 27 PHE 10.106 1.926 10 4 "[ . + .*- *2]"
2 28 LEU 5.183 0.123 16 0 "[ . 1 . 2]"
2 29 TYR 6.307 0.187 9 0 "[ . 1 . 2]"
2 30 TRP 3.685 0.121 10 0 "[ . 1 . 2]"
2 31 ARG 8.557 1.941 10 4 "[ . + .*- *2]"
2 32 GLY 0.224 0.039 7 0 "[ . 1 . 2]"
2 33 ARG 1.288 0.088 7 0 "[ . 1 . 2]"
2 34 ARG 2.632 0.183 1 0 "[ . 1 . 2]"
2 35 HIS 1.539 0.194 18 0 "[ . 1 . 2]"
2 36 HIS 0.587 0.095 15 0 "[ . 1 . 2]"
2 38 HIS 0.001 0.001 5 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 1 MET H1 1 1 MET HA . . 4.170 2.815 2.275 2.948 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET H1 1 1 MET HB2 . . 4.840 2.926 2.185 3.892 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET H1 1 1 MET HB3 . . 4.170 3.255 2.348 3.966 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET H1 1 1 MET QG . . 4.470 2.845 1.949 4.064 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HA 1 2 GLY H . . 3.830 2.865 2.144 3.574 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET HB2 1 2 GLY H . . 4.900 3.490 2.380 4.393 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLY H 1 3 ARG H . . 4.090 3.331 2.296 4.090 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLY QA 1 3 ARG H . . 3.520 2.301 2.129 2.838 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLY QA 1 4 THR H . . 4.630 3.466 2.895 4.632 0.002 13 0 "[ . 1 . 2]" 1
10 1 3 ARG H 1 3 ARG HB2 . . 3.620 2.846 2.410 3.790 0.170 14 0 "[ . 1 . 2]" 1
11 1 3 ARG H 1 3 ARG QD . . 3.810 3.505 2.676 3.951 0.141 15 0 "[ . 1 . 2]" 1
12 1 3 ARG H 1 4 THR H . . 3.540 2.134 1.870 3.587 0.047 13 0 "[ . 1 . 2]" 1
13 1 3 ARG HA 1 3 ARG QG . . 3.020 2.568 2.139 3.307 0.287 20 0 "[ . 1 . 2]" 1
14 1 3 ARG HA 1 6 LEU HB2 . . 3.710 3.698 3.263 3.786 0.076 13 0 "[ . 1 . 2]" 1
15 1 3 ARG HA 1 6 LEU MD1 . . 4.080 2.289 1.880 2.677 . 0 0 "[ . 1 . 2]" 1
16 1 3 ARG HB3 1 4 THR H . . 3.840 3.859 3.128 4.189 0.349 5 0 "[ . 1 . 2]" 1
17 1 4 THR H 1 4 THR HA . . 3.050 2.895 2.862 2.948 . 0 0 "[ . 1 . 2]" 1
18 1 4 THR H 1 4 THR MG . . 3.900 3.582 2.234 3.877 . 0 0 "[ . 1 . 2]" 1
19 1 4 THR H 1 5 HIS H . . 3.440 2.322 1.992 2.477 . 0 0 "[ . 1 . 2]" 1
20 1 4 THR HA 1 4 THR MG . . 2.980 2.384 2.309 3.192 0.212 17 0 "[ . 1 . 2]" 1
21 1 4 THR HA 1 5 HIS H . . 2.800 3.510 3.490 3.560 0.760 13 20 [************+***-***] 1
22 1 4 THR HA 1 6 LEU H . . 3.390 3.562 3.525 3.693 0.303 13 0 "[ . 1 . 2]" 1
23 1 4 THR HG1 1 4 THR MG . . 3.130 2.584 2.200 3.041 . 0 0 "[ . 1 . 2]" 1
24 1 4 THR MG 1 5 HIS H . . 3.670 3.552 2.002 3.832 0.162 7 0 "[ . 1 . 2]" 1
25 1 5 HIS H 1 6 LEU H . . 3.250 2.638 2.622 2.714 . 0 0 "[ . 1 . 2]" 1
26 1 5 HIS HA 1 6 LEU H . . 3.710 3.379 3.364 3.416 . 0 0 "[ . 1 . 2]" 1
27 1 5 HIS HA 1 8 MET H . . 3.740 3.585 3.532 3.604 . 0 0 "[ . 1 . 2]" 1
28 1 5 HIS HA 1 8 MET HB2 . . 3.990 3.497 3.408 3.571 . 0 0 "[ . 1 . 2]" 1
29 1 5 HIS HA 1 9 ALA H . . 4.120 4.223 4.200 4.231 0.111 20 0 "[ . 1 . 2]" 1
30 1 5 HIS HE1 1 6 LEU MD2 . . 4.070 3.603 3.239 4.082 0.012 7 0 "[ . 1 . 2]" 1
31 1 6 LEU H 1 6 LEU HB2 . . 2.830 2.224 2.186 2.252 . 0 0 "[ . 1 . 2]" 1
32 1 6 LEU H 1 6 LEU MD1 . . 3.350 3.388 3.381 3.413 0.063 19 0 "[ . 1 . 2]" 1
33 1 6 LEU H 1 6 LEU HG . . 3.330 2.895 2.779 3.026 . 0 0 "[ . 1 . 2]" 1
34 1 6 LEU H 1 7 THR H . . 3.220 2.534 2.522 2.604 . 0 0 "[ . 1 . 2]" 1
35 1 6 LEU HA 1 6 LEU MD1 . . 3.950 3.829 3.805 3.845 . 0 0 "[ . 1 . 2]" 1
36 1 6 LEU HA 1 6 LEU MD2 . . 3.110 2.291 2.224 2.355 . 0 0 "[ . 1 . 2]" 1
37 1 6 LEU HA 1 6 LEU HG . . 3.470 2.604 2.534 2.659 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU HA 1 7 THR H . . 3.480 3.498 3.496 3.504 0.024 7 0 "[ . 1 . 2]" 1
39 1 6 LEU HA 1 9 ALA MB . . 3.330 2.569 2.564 2.578 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU HA 1 10 LEU H . . 3.580 3.625 3.617 3.637 0.057 13 0 "[ . 1 . 2]" 1
41 1 6 LEU QB 1 6 LEU MD1 . . 2.940 1.968 1.945 1.988 . 0 0 "[ . 1 . 2]" 1
42 1 6 LEU QB 1 6 LEU MD2 . . 2.990 2.196 2.174 2.223 . 0 0 "[ . 1 . 2]" 1
43 1 6 LEU HB2 1 7 THR H . . 3.180 2.909 2.871 2.937 . 0 0 "[ . 1 . 2]" 1
44 1 6 LEU MD1 1 7 THR H . . 4.450 4.568 4.550 4.581 0.131 13 0 "[ . 1 . 2]" 1
45 1 6 LEU MD2 1 9 ALA MB . . 3.260 3.343 3.340 3.358 0.098 13 0 "[ . 1 . 2]" 1
46 1 6 LEU MD2 1 10 LEU HG . . 3.210 3.208 3.070 3.232 0.022 14 0 "[ . 1 . 2]" 1
47 1 7 THR H 1 7 THR HB . . 2.960 2.827 2.788 2.840 . 0 0 "[ . 1 . 2]" 1
48 1 7 THR H 1 7 THR HG1 . . 3.950 1.949 1.946 1.953 . 0 0 "[ . 1 . 2]" 1
49 1 7 THR H 1 7 THR MG . . 3.760 3.716 3.711 3.730 . 0 0 "[ . 1 . 2]" 1
50 1 7 THR H 1 8 MET H . . 3.160 2.834 2.832 2.840 . 0 0 "[ . 1 . 2]" 1
51 1 7 THR HA 1 7 THR MG . . 3.490 2.146 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
52 1 7 THR HA 1 8 MET H . . 3.740 3.568 3.568 3.569 . 0 0 "[ . 1 . 2]" 1
53 1 7 THR HA 1 10 LEU H . . 3.750 3.784 3.779 3.787 0.037 7 0 "[ . 1 . 2]" 1
54 1 7 THR HA 1 10 LEU HB3 . . 4.200 4.272 4.269 4.276 0.076 14 0 "[ . 1 . 2]" 1
55 1 7 THR HB 1 8 MET H . . 3.200 2.288 2.287 2.289 . 0 0 "[ . 1 . 2]" 1
56 1 7 THR HG1 1 7 THR MG . . 3.170 3.006 3.004 3.012 . 0 0 "[ . 1 . 2]" 1
57 1 7 THR MG 1 8 MET H . . 3.380 3.588 3.539 3.601 0.221 20 0 "[ . 1 . 2]" 1
58 1 7 THR MG 1 10 LEU MD1 . . 3.680 3.736 3.733 3.742 0.062 13 0 "[ . 1 . 2]" 1
59 1 8 MET H 1 8 MET HB2 . . 3.090 2.403 2.313 2.475 . 0 0 "[ . 1 . 2]" 1
60 1 8 MET H 1 8 MET HB3 . . 3.820 3.577 3.556 3.588 . 0 0 "[ . 1 . 2]" 1
61 1 8 MET H 1 8 MET HG2 . . 3.550 2.923 2.249 3.510 . 0 0 "[ . 1 . 2]" 1
62 1 8 MET H 1 8 MET HG3 . . 3.390 2.892 2.232 3.387 . 0 0 "[ . 1 . 2]" 1
63 1 8 MET H 1 9 ALA H . . 2.750 2.730 2.724 2.742 . 0 0 "[ . 1 . 2]" 1
64 1 8 MET HA 1 9 ALA H . . 3.480 3.558 3.556 3.560 0.080 19 0 "[ . 1 . 2]" 1
65 1 8 MET HA 1 11 THR H . . 3.530 3.546 3.528 3.555 0.025 7 0 "[ . 1 . 2]" 1
66 1 8 MET HA 1 11 THR HB . . 3.340 3.070 3.029 3.083 . 0 0 "[ . 1 . 2]" 1
67 1 8 MET HB2 1 9 ALA H . . 3.490 2.474 2.428 2.536 . 0 0 "[ . 1 . 2]" 1
68 1 8 MET HB3 1 9 ALA H . . 3.470 3.397 3.287 3.468 . 0 0 "[ . 1 . 2]" 1
69 1 9 ALA H 1 9 ALA HA . . 3.130 2.791 2.788 2.792 . 0 0 "[ . 1 . 2]" 1
70 1 9 ALA H 1 9 ALA MB . . 2.710 2.201 2.196 2.207 . 0 0 "[ . 1 . 2]" 1
71 1 9 ALA HA 1 9 ALA MB . . 2.600 2.123 2.122 2.124 . 0 0 "[ . 1 . 2]" 1
72 1 9 ALA HA 1 10 LEU H . . 3.050 3.539 3.536 3.540 0.490 15 0 "[ . 1 . 2]" 1
73 1 9 ALA HA 1 12 VAL H . . 3.540 3.550 3.545 3.554 0.014 19 0 "[ . 1 . 2]" 1
74 1 9 ALA HA 1 12 VAL HB . . 3.630 2.969 2.956 2.988 . 0 0 "[ . 1 . 2]" 1
75 1 9 ALA HA 1 12 VAL MG2 . . 3.510 2.796 2.740 2.936 . 0 0 "[ . 1 . 2]" 1
76 1 9 ALA MB 1 13 ILE MD . . 3.550 3.348 3.269 3.409 . 0 0 "[ . 1 . 2]" 1
77 1 10 LEU H 1 10 LEU HB2 . . 2.940 2.218 2.211 2.237 . 0 0 "[ . 1 . 2]" 1
78 1 10 LEU H 1 10 LEU HB3 . . 3.660 3.515 3.511 3.523 . 0 0 "[ . 1 . 2]" 1
79 1 10 LEU H 1 11 THR H . . 3.040 2.711 2.693 2.721 . 0 0 "[ . 1 . 2]" 1
80 1 10 LEU HA 1 10 LEU MD1 . . 3.990 3.810 3.802 3.821 . 0 0 "[ . 1 . 2]" 1
81 1 10 LEU HA 1 10 LEU MD2 . . 2.800 2.419 2.324 2.525 . 0 0 "[ . 1 . 2]" 1
82 1 10 LEU HA 1 11 THR H . . 3.480 3.542 3.541 3.544 0.064 5 0 "[ . 1 . 2]" 1
83 1 10 LEU HA 1 13 ILE H . . 3.610 3.663 3.658 3.671 0.061 2 0 "[ . 1 . 2]" 1
84 1 10 LEU HA 1 13 ILE HB . . 2.960 2.997 2.981 3.008 0.048 4 0 "[ . 1 . 2]" 1
85 1 10 LEU HA 1 13 ILE MD . . 3.240 2.993 2.869 3.219 . 0 0 "[ . 1 . 2]" 1
86 1 10 LEU HB2 1 11 THR H . . 3.200 2.705 2.678 2.717 . 0 0 "[ . 1 . 2]" 1
87 1 10 LEU HB3 1 10 LEU MD1 . . 3.400 2.646 2.636 2.655 . 0 0 "[ . 1 . 2]" 1
88 1 10 LEU HB3 1 10 LEU MD2 . . 3.210 2.161 2.047 2.245 . 0 0 "[ . 1 . 2]" 1
89 1 10 LEU HB3 1 11 THR H . . 3.910 3.283 3.266 3.301 . 0 0 "[ . 1 . 2]" 1
90 1 11 THR H 1 11 THR HB . . 3.150 2.577 2.562 2.584 . 0 0 "[ . 1 . 2]" 1
91 1 11 THR H 1 11 THR HG1 . . 3.420 2.092 2.082 2.116 . 0 0 "[ . 1 . 2]" 1
92 1 11 THR H 1 11 THR MG . . 3.890 3.766 3.766 3.767 . 0 0 "[ . 1 . 2]" 1
93 1 11 THR HA 1 11 THR HB . . 3.130 3.025 3.023 3.026 . 0 0 "[ . 1 . 2]" 1
94 1 11 THR HA 1 11 THR MG . . 3.200 2.379 2.375 2.392 . 0 0 "[ . 1 . 2]" 1
95 1 11 THR HA 1 12 VAL H . . 4.160 3.547 3.543 3.549 . 0 0 "[ . 1 . 2]" 1
96 1 11 THR HA 1 14 ALA H . . 3.700 3.723 3.704 3.735 0.035 18 0 "[ . 1 . 2]" 1
97 1 11 THR HA 1 14 ALA MB . . 3.650 2.801 2.629 2.895 . 0 0 "[ . 1 . 2]" 1
98 1 11 THR HB 1 12 VAL H . . 3.350 2.543 2.529 2.588 . 0 0 "[ . 1 . 2]" 1
99 1 11 THR HB 1 12 VAL MG2 . . 3.830 3.229 3.114 3.324 . 0 0 "[ . 1 . 2]" 1
100 1 11 THR HG1 1 11 THR MG . . 3.270 3.043 3.041 3.043 . 0 0 "[ . 1 . 2]" 1
101 1 11 THR MG 1 12 VAL H . . 3.410 3.436 3.431 3.444 0.034 18 0 "[ . 1 . 2]" 1
102 1 11 THR MG 1 12 VAL HA . . 3.460 3.460 3.441 3.467 0.007 6 0 "[ . 1 . 2]" 1
103 1 12 VAL H 1 12 VAL HB . . 2.960 2.514 2.510 2.520 . 0 0 "[ . 1 . 2]" 1
104 1 12 VAL H 1 12 VAL MG1 . . 3.770 3.761 3.759 3.762 . 0 0 "[ . 1 . 2]" 1
105 1 12 VAL H 1 12 VAL MG2 . . 2.730 2.262 2.098 2.337 . 0 0 "[ . 1 . 2]" 1
106 1 12 VAL H 1 13 ILE H . . 2.860 2.795 2.774 2.802 . 0 0 "[ . 1 . 2]" 1
107 1 12 VAL HA 1 12 VAL MG1 . . 2.830 2.407 2.386 2.415 . 0 0 "[ . 1 . 2]" 1
108 1 12 VAL HA 1 12 VAL MG2 . . 2.710 2.325 2.262 2.420 . 0 0 "[ . 1 . 2]" 1
109 1 12 VAL HB 1 13 ILE H . . 3.070 2.400 2.358 2.417 . 0 0 "[ . 1 . 2]" 1
110 1 12 VAL MG1 1 13 ILE H . . 3.150 3.178 3.169 3.182 0.032 17 0 "[ . 1 . 2]" 1
111 1 12 VAL MG1 1 16 LEU HG . . 3.630 3.017 2.951 3.082 . 0 0 "[ . 1 . 2]" 1
112 1 13 ILE H 1 13 ILE HA . . 2.980 2.795 2.784 2.805 . 0 0 "[ . 1 . 2]" 1
113 1 13 ILE H 1 13 ILE HB . . 2.810 2.535 2.531 2.542 . 0 0 "[ . 1 . 2]" 1
114 1 13 ILE H 1 13 ILE HG12 . . 3.280 3.323 3.298 3.335 0.055 6 0 "[ . 1 . 2]" 1
115 1 13 ILE H 1 13 ILE HG13 . . 2.950 2.104 2.088 2.113 . 0 0 "[ . 1 . 2]" 1
116 1 13 ILE H 1 14 ALA H . . 2.870 2.793 2.725 2.832 . 0 0 "[ . 1 . 2]" 1
117 1 13 ILE HA 1 13 ILE MD . . 3.980 3.806 3.802 3.816 . 0 0 "[ . 1 . 2]" 1
118 1 13 ILE HA 1 13 ILE HG12 . . 3.510 2.490 2.482 2.506 . 0 0 "[ . 1 . 2]" 1
119 1 13 ILE HA 1 13 ILE HG13 . . 3.630 3.026 3.006 3.055 . 0 0 "[ . 1 . 2]" 1
120 1 13 ILE HA 1 13 ILE MG . . 3.260 2.397 2.356 2.412 . 0 0 "[ . 1 . 2]" 1
121 1 13 ILE HA 1 14 ALA H . . 3.720 3.558 3.546 3.562 . 0 0 "[ . 1 . 2]" 1
122 1 13 ILE HA 1 16 LEU QD . . 3.480 2.800 2.591 2.867 . 0 0 "[ . 1 . 2]" 1
123 1 13 ILE HB 1 13 ILE MD . . 3.160 2.416 2.377 2.433 . 0 0 "[ . 1 . 2]" 1
124 1 13 ILE HB 1 14 ALA H . . 3.190 2.435 2.400 2.537 . 0 0 "[ . 1 . 2]" 1
125 1 13 ILE HB 1 14 ALA MB . . 4.000 3.843 3.801 3.926 . 0 0 "[ . 1 . 2]" 1
126 1 13 ILE MD 2 13 ILE MD . . 3.000 2.876 2.209 3.007 0.007 18 0 "[ . 1 . 2]" 1
127 1 13 ILE HG13 1 13 ILE MG . . 3.510 3.199 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
128 1 13 ILE MG 1 14 ALA H . . 3.830 3.253 3.188 3.360 . 0 0 "[ . 1 . 2]" 1
129 1 13 ILE MG 1 14 ALA HA . . 3.880 3.327 3.246 3.499 . 0 0 "[ . 1 . 2]" 1
130 1 13 ILE MG 1 14 ALA MB . . 3.980 3.920 3.865 3.989 0.009 13 0 "[ . 1 . 2]" 1
131 1 13 ILE MG 1 17 VAL QG . . 3.020 2.496 2.417 2.561 . 0 0 "[ . 1 . 2]" 1
132 1 13 ILE MG 2 16 LEU QD . . 3.000 2.287 2.214 2.446 . 0 0 "[ . 1 . 2]" 1
133 1 14 ALA H 1 14 ALA MB . . 2.710 2.209 2.161 2.238 . 0 0 "[ . 1 . 2]" 1
134 1 14 ALA H 1 15 GLY H . . 2.950 2.707 2.646 2.734 . 0 0 "[ . 1 . 2]" 1
135 1 14 ALA HA 1 15 GLY H . . 3.460 3.545 3.534 3.552 0.092 15 0 "[ . 1 . 2]" 1
136 1 14 ALA HA 1 17 VAL H . . 3.640 3.666 3.644 3.678 0.038 18 0 "[ . 1 . 2]" 1
137 1 14 ALA HA 1 17 VAL HB . . 3.690 2.693 2.626 2.715 . 0 0 "[ . 1 . 2]" 1
138 1 14 ALA HA 1 17 VAL QG . . 3.450 3.043 3.023 3.093 . 0 0 "[ . 1 . 2]" 1
139 1 14 ALA HA 1 18 VAL H . . 4.240 3.868 3.854 3.890 . 0 0 "[ . 1 . 2]" 1
140 1 14 ALA MB 1 15 GLY H . . 2.860 2.521 2.481 2.611 . 0 0 "[ . 1 . 2]" 1
141 1 14 ALA MB 1 15 GLY QA . . 4.030 3.522 3.482 3.573 . 0 0 "[ . 1 . 2]" 1
142 1 14 ALA MB 1 18 VAL MG2 . . 3.400 3.032 2.966 3.069 . 0 0 "[ . 1 . 2]" 1
143 1 15 GLY H 1 15 GLY QA . . 2.650 2.193 2.191 2.196 . 0 0 "[ . 1 . 2]" 1
144 1 15 GLY QA 1 16 LEU H . . 3.440 2.614 2.612 2.616 . 0 0 "[ . 1 . 2]" 1
145 1 15 GLY QA 1 16 LEU QD . . 4.270 4.087 4.059 4.099 . 0 0 "[ . 1 . 2]" 1
146 1 16 LEU H 1 16 LEU HB2 . . 3.520 2.526 2.495 2.603 . 0 0 "[ . 1 . 2]" 1
147 1 16 LEU H 1 16 LEU HB3 . . 3.680 3.584 3.583 3.585 . 0 0 "[ . 1 . 2]" 1
148 1 16 LEU H 1 16 LEU QD . . 3.260 3.020 2.973 3.040 . 0 0 "[ . 1 . 2]" 1
149 1 16 LEU HA 1 16 LEU QD . . 3.080 2.251 2.205 2.381 . 0 0 "[ . 1 . 2]" 1
150 1 16 LEU HA 1 16 LEU HG . . 3.450 3.089 3.079 3.098 . 0 0 "[ . 1 . 2]" 1
151 1 16 LEU HA 1 19 ILE H . . 3.570 3.523 3.460 3.572 0.002 2 0 "[ . 1 . 2]" 1
152 1 16 LEU HA 1 19 ILE HB . . 4.300 2.767 2.714 2.812 . 0 0 "[ . 1 . 2]" 1
153 1 16 LEU HA 1 19 ILE MD . . 2.700 1.956 1.921 1.982 . 0 0 "[ . 1 . 2]" 1
154 1 16 LEU HB2 1 16 LEU QD . . 3.200 2.246 2.214 2.272 . 0 0 "[ . 1 . 2]" 1
155 1 16 LEU HB2 1 17 VAL H . . 3.570 2.392 2.356 2.489 . 0 0 "[ . 1 . 2]" 1
156 1 16 LEU QD 1 17 VAL H . . 4.430 3.948 3.927 3.979 . 0 0 "[ . 1 . 2]" 1
157 1 16 LEU QD 2 13 ILE MG . . 3.000 2.300 2.233 2.454 . 0 0 "[ . 1 . 2]" 1
158 1 16 LEU QD 2 17 VAL HA . . 3.500 2.556 2.460 2.822 . 0 0 "[ . 1 . 2]" 1
159 1 16 LEU QD 2 20 PHE QR . . 2.500 3.097 3.067 3.112 0.612 8 20 [*-*****+************] 1
160 1 17 VAL H 1 17 VAL HB . . 3.110 2.469 2.453 2.478 . 0 0 "[ . 1 . 2]" 1
161 1 17 VAL H 1 17 VAL QG . . 2.880 2.299 2.157 2.365 . 0 0 "[ . 1 . 2]" 1
162 1 17 VAL H 1 18 VAL H . . 2.900 2.884 2.833 2.905 0.005 15 0 "[ . 1 . 2]" 1
163 1 17 VAL HA 1 17 VAL QG . . 2.850 2.059 2.035 2.137 . 0 0 "[ . 1 . 2]" 1
164 1 17 VAL HA 1 18 VAL H . . 3.440 3.564 3.560 3.567 0.127 11 0 "[ . 1 . 2]" 1
165 1 17 VAL HA 1 20 PHE H . . 3.510 3.579 3.542 3.589 0.079 14 0 "[ . 1 . 2]" 1
166 1 17 VAL HA 2 16 LEU QD . . 3.500 2.554 2.457 2.822 . 0 0 "[ . 1 . 2]" 1
167 1 17 VAL QG 1 18 VAL H . . 2.980 2.912 2.905 2.926 . 0 0 "[ . 1 . 2]" 1
168 1 17 VAL QG 1 21 MET H . . 3.920 3.831 3.800 3.887 . 0 0 "[ . 1 . 2]" 1
169 1 17 VAL QG 1 21 MET ME . . 2.720 1.940 1.861 2.133 . 0 0 "[ . 1 . 2]" 1
170 1 17 VAL QG 1 21 MET HG2 . . 3.690 3.554 3.509 3.639 . 0 0 "[ . 1 . 2]" 1
171 1 17 VAL QG 1 21 MET HG3 . . 3.680 2.370 2.316 2.476 . 0 0 "[ . 1 . 2]" 1
172 1 18 VAL H 1 18 VAL HA . . 3.010 2.778 2.775 2.792 . 0 0 "[ . 1 . 2]" 1
173 1 18 VAL H 1 18 VAL HB . . 2.750 2.574 2.552 2.595 . 0 0 "[ . 1 . 2]" 1
174 1 18 VAL H 1 18 VAL MG2 . . 2.570 2.179 2.083 2.229 . 0 0 "[ . 1 . 2]" 1
175 1 18 VAL H 1 19 ILE H . . 3.120 2.743 2.712 2.751 . 0 0 "[ . 1 . 2]" 1
176 1 18 VAL HA 1 18 VAL MG1 . . 2.880 2.336 2.306 2.405 . 0 0 "[ . 1 . 2]" 1
177 1 18 VAL HA 1 18 VAL MG2 . . 2.840 2.346 2.328 2.399 . 0 0 "[ . 1 . 2]" 1
178 1 18 VAL HA 1 21 MET H . . 3.460 3.665 3.617 3.685 0.225 6 0 "[ . 1 . 2]" 1
179 1 18 VAL HA 1 21 MET HB2 . . 3.670 2.723 2.704 2.786 . 0 0 "[ . 1 . 2]" 1
180 1 18 VAL HA 1 21 MET HB3 . . 4.630 4.342 4.322 4.438 . 0 0 "[ . 1 . 2]" 1
181 1 18 VAL HA 1 21 MET ME . . 3.700 2.489 2.347 2.570 . 0 0 "[ . 1 . 2]" 1
182 1 18 VAL HB 1 19 ILE H . . 3.050 2.743 2.704 2.823 . 0 0 "[ . 1 . 2]" 1
183 1 18 VAL HB 1 19 ILE MD . . 4.380 4.394 4.383 4.412 0.032 19 0 "[ . 1 . 2]" 1
184 1 18 VAL MG1 1 19 ILE H . . 3.690 3.565 3.525 3.588 . 0 0 "[ . 1 . 2]" 1
185 1 18 VAL MG1 1 19 ILE HA . . 3.580 3.554 3.461 3.587 0.007 14 0 "[ . 1 . 2]" 1
186 1 18 VAL MG1 1 22 MET H . . 4.520 3.570 3.519 3.632 . 0 0 "[ . 1 . 2]" 1
187 1 18 VAL MG1 1 22 MET ME . . 2.850 1.957 1.918 1.988 . 0 0 "[ . 1 . 2]" 1
188 1 18 VAL MG1 1 22 MET HG3 . . 3.680 1.985 1.958 2.135 . 0 0 "[ . 1 . 2]" 1
189 1 18 VAL MG2 1 21 MET ME . . 3.180 3.159 3.052 3.177 . 0 0 "[ . 1 . 2]" 1
190 1 19 ILE H 1 19 ILE HA . . 2.990 2.830 2.828 2.831 . 0 0 "[ . 1 . 2]" 1
191 1 19 ILE H 1 19 ILE HB . . 2.820 2.447 2.422 2.460 . 0 0 "[ . 1 . 2]" 1
192 1 19 ILE H 1 19 ILE HG12 . . 3.970 3.770 3.742 3.828 . 0 0 "[ . 1 . 2]" 1
193 1 19 ILE H 1 19 ILE HG13 . . 3.010 2.331 2.297 2.400 . 0 0 "[ . 1 . 2]" 1
194 1 19 ILE H 1 19 ILE MG . . 3.700 3.750 3.743 3.754 0.054 18 0 "[ . 1 . 2]" 1
195 1 19 ILE H 1 20 PHE H . . 3.000 2.725 2.673 2.732 . 0 0 "[ . 1 . 2]" 1
196 1 19 ILE HA 1 19 ILE MD . . 3.910 3.849 3.833 3.855 . 0 0 "[ . 1 . 2]" 1
197 1 19 ILE HA 1 19 ILE MG . . 3.550 2.429 2.422 2.443 . 0 0 "[ . 1 . 2]" 1
198 1 19 ILE HA 1 22 MET HB2 . . 3.520 2.781 2.645 2.796 . 0 0 "[ . 1 . 2]" 1
199 1 19 ILE HA 1 22 MET ME . . 3.450 2.600 2.421 2.681 . 0 0 "[ . 1 . 2]" 1
200 1 19 ILE HB 1 19 ILE MD . . 3.200 2.277 2.119 2.323 . 0 0 "[ . 1 . 2]" 1
201 1 19 ILE HB 1 20 PHE H . . 3.070 2.390 2.374 2.515 . 0 0 "[ . 1 . 2]" 1
202 1 19 ILE MD 2 20 PHE QR . . 3.000 3.099 3.085 3.131 0.131 16 0 "[ . 1 . 2]" 1
203 1 19 ILE HG12 1 19 ILE MG . . 3.430 2.255 2.245 2.261 . 0 0 "[ . 1 . 2]" 1
204 1 19 ILE MG 1 20 PHE H . . 3.200 3.062 3.009 3.206 0.006 16 0 "[ . 1 . 2]" 1
205 1 19 ILE MG 1 23 LEU HG . . 3.400 2.168 2.102 2.194 . 0 0 "[ . 1 . 2]" 1
206 1 20 PHE H 1 20 PHE HA . . 3.040 2.793 2.790 2.812 . 0 0 "[ . 1 . 2]" 1
207 1 20 PHE HA 1 21 MET H . . 3.580 3.534 3.532 3.541 . 0 0 "[ . 1 . 2]" 1
208 1 20 PHE HA 1 23 LEU H . . 3.380 4.083 4.024 4.103 0.723 2 20 [*+*************-****] 1
209 1 20 PHE HA 1 23 LEU HB2 . . 4.150 2.933 2.920 2.977 . 0 0 "[ . 1 . 2]" 1
210 1 20 PHE HA 1 23 LEU QD . . 3.530 3.324 3.303 3.469 . 0 0 "[ . 1 . 2]" 1
211 1 20 PHE HA 1 24 GLY H . . 3.630 3.760 3.737 3.778 0.148 8 0 "[ . 1 . 2]" 1
212 1 20 PHE HA 2 23 LEU QD . . 3.500 3.614 3.608 3.619 0.119 10 0 "[ . 1 . 2]" 1
213 1 20 PHE QR 2 16 LEU QD . . 2.500 3.096 3.066 3.112 0.612 18 20 [*-***************+**] 1
214 1 20 PHE QR 2 19 ILE MD . . 3.000 3.099 3.087 3.131 0.131 16 0 "[ . 1 . 2]" 1
215 1 21 MET H 1 21 MET HB2 . . 3.000 2.417 2.401 2.465 . 0 0 "[ . 1 . 2]" 1
216 1 21 MET H 1 21 MET HB3 . . 3.720 3.588 3.585 3.595 . 0 0 "[ . 1 . 2]" 1
217 1 21 MET H 1 21 MET HG2 . . 3.250 3.218 3.112 3.241 . 0 0 "[ . 1 . 2]" 1
218 1 21 MET H 1 21 MET HG3 . . 3.130 2.543 2.463 2.576 . 0 0 "[ . 1 . 2]" 1
219 1 21 MET H 1 22 MET H . . 3.060 2.695 2.602 2.706 . 0 0 "[ . 1 . 2]" 1
220 1 21 MET HA 1 22 MET H . . 3.510 3.568 3.551 3.570 0.060 2 0 "[ . 1 . 2]" 1
221 1 21 MET HA 1 25 GLY H . . 3.830 3.788 3.758 3.850 0.020 16 0 "[ . 1 . 2]" 1
222 1 21 MET HB2 1 22 MET H . . 2.960 2.336 2.294 2.523 . 0 0 "[ . 1 . 2]" 1
223 1 21 MET HB3 1 22 MET H . . 3.690 3.316 3.287 3.523 . 0 0 "[ . 1 . 2]" 1
224 1 22 MET H 1 22 MET HA . . 3.110 2.787 2.784 2.822 . 0 0 "[ . 1 . 2]" 1
225 1 22 MET H 1 22 MET HB2 . . 3.050 2.336 2.286 2.341 . 0 0 "[ . 1 . 2]" 1
226 1 22 MET H 1 22 MET HB3 . . 3.750 3.562 3.546 3.564 . 0 0 "[ . 1 . 2]" 1
227 1 22 MET H 1 22 MET QG . . 3.060 2.504 2.493 2.604 . 0 0 "[ . 1 . 2]" 1
228 1 22 MET H 1 23 LEU H . . 2.970 2.852 2.776 2.868 . 0 0 "[ . 1 . 2]" 1
229 1 22 MET HA 1 25 GLY H . . 3.630 3.756 3.742 3.769 0.139 19 0 "[ . 1 . 2]" 1
230 1 22 MET HA 1 26 THR H . . 3.940 3.768 3.751 3.801 . 0 0 "[ . 1 . 2]" 1
231 1 22 MET HB2 1 23 LEU H . . 3.270 2.457 2.440 2.463 . 0 0 "[ . 1 . 2]" 1
232 1 22 MET HB2 1 23 LEU QD . . 4.090 3.969 3.961 3.974 . 0 0 "[ . 1 . 2]" 1
233 1 22 MET HB3 1 23 LEU H . . 3.310 3.198 3.127 3.210 . 0 0 "[ . 1 . 2]" 1
234 1 23 LEU H 1 23 LEU HA . . 3.040 2.774 2.774 2.775 . 0 0 "[ . 1 . 2]" 1
235 1 23 LEU H 1 23 LEU HB2 . . 2.720 2.396 2.393 2.403 . 0 0 "[ . 1 . 2]" 1
236 1 23 LEU H 1 23 LEU HB3 . . 3.730 3.573 3.571 3.574 . 0 0 "[ . 1 . 2]" 1
237 1 23 LEU H 1 23 LEU QD . . 3.210 3.070 3.062 3.074 . 0 0 "[ . 1 . 2]" 1
238 1 23 LEU H 1 24 GLY H . . 3.000 2.849 2.820 2.860 . 0 0 "[ . 1 . 2]" 1
239 1 23 LEU HA 1 23 LEU QD . . 3.100 2.028 2.019 2.039 . 0 0 "[ . 1 . 2]" 1
240 1 23 LEU HA 1 24 GLY H . . 3.380 3.562 3.554 3.565 0.185 4 0 "[ . 1 . 2]" 1
241 1 23 LEU HA 1 26 THR H . . 3.630 3.666 3.641 3.687 0.057 17 0 "[ . 1 . 2]" 1
242 1 23 LEU HA 1 26 THR HB . . 3.390 2.635 2.557 2.695 . 0 0 "[ . 1 . 2]" 1
243 1 23 LEU HB2 1 24 GLY H . . 3.210 2.469 2.447 2.537 . 0 0 "[ . 1 . 2]" 1
244 1 23 LEU HB3 1 23 LEU QD . . 3.150 2.112 2.110 2.115 . 0 0 "[ . 1 . 2]" 1
245 1 23 LEU HB3 1 24 GLY H . . 3.420 3.340 3.311 3.421 0.001 16 0 "[ . 1 . 2]" 1
246 1 23 LEU QD 1 27 PHE QD . . 4.410 3.949 3.913 3.971 . 0 0 "[ . 1 . 2]" 1
247 1 23 LEU QD 2 20 PHE HA . . 3.500 3.615 3.609 3.620 0.120 16 0 "[ . 1 . 2]" 1
248 1 24 GLY H 1 24 GLY HA2 . . 2.910 2.807 2.805 2.809 . 0 0 "[ . 1 . 2]" 1
249 1 24 GLY H 1 24 GLY HA3 . . 2.940 2.294 2.294 2.295 . 0 0 "[ . 1 . 2]" 1
250 1 24 GLY HA3 1 25 GLY H . . 3.420 2.679 2.661 2.696 . 0 0 "[ . 1 . 2]" 1
251 1 25 GLY H 1 25 GLY HA2 . . 2.940 2.830 2.826 2.836 . 0 0 "[ . 1 . 2]" 1
252 1 25 GLY H 1 25 GLY HA3 . . 2.810 2.297 2.296 2.299 . 0 0 "[ . 1 . 2]" 1
253 1 25 GLY H 1 26 THR H . . 2.970 2.625 2.606 2.643 . 0 0 "[ . 1 . 2]" 1
254 1 25 GLY HA2 1 28 LEU MD1 . . 3.870 3.660 3.634 3.686 . 0 0 "[ . 1 . 2]" 1
255 1 25 GLY HA3 1 26 THR H . . 3.290 2.920 2.907 2.929 . 0 0 "[ . 1 . 2]" 1
256 1 26 THR H 1 26 THR HA . . 3.140 2.856 2.855 2.857 . 0 0 "[ . 1 . 2]" 1
257 1 26 THR H 1 26 THR HB . . 3.020 2.432 2.424 2.443 . 0 0 "[ . 1 . 2]" 1
258 1 26 THR H 1 26 THR HG1 . . 3.380 2.546 2.360 2.755 . 0 0 "[ . 1 . 2]" 1
259 1 26 THR H 1 26 THR MG . . 3.720 3.754 3.751 3.757 0.037 16 0 "[ . 1 . 2]" 1
260 1 26 THR H 1 27 PHE H . . 3.020 2.645 2.627 2.664 . 0 0 "[ . 1 . 2]" 1
261 1 26 THR HA 1 26 THR MG . . 3.480 2.379 2.371 2.386 . 0 0 "[ . 1 . 2]" 1
262 1 26 THR HA 1 27 PHE H . . 3.620 3.565 3.562 3.568 . 0 0 "[ . 1 . 2]" 1
263 1 26 THR HA 1 30 TRP H . . 3.910 3.752 3.731 3.798 . 0 0 "[ . 1 . 2]" 1
264 1 26 THR HB 1 27 PHE H . . 3.300 2.397 2.359 2.433 . 0 0 "[ . 1 . 2]" 1
265 1 26 THR MG 1 27 PHE H . . 3.460 3.143 3.101 3.182 . 0 0 "[ . 1 . 2]" 1
266 1 26 THR MG 1 29 TYR QD . . 4.410 3.662 3.618 3.726 . 0 0 "[ . 1 . 2]" 1
267 1 26 THR MG 1 30 TRP H . . 3.800 3.765 3.741 3.794 . 0 0 "[ . 1 . 2]" 1
268 1 26 THR MG 1 30 TRP HB2 . . 4.500 3.013 2.989 3.036 . 0 0 "[ . 1 . 2]" 1
269 1 26 THR MG 1 30 TRP HD1 . . 4.030 3.389 3.298 3.640 . 0 0 "[ . 1 . 2]" 1
270 1 26 THR MG 1 30 TRP HE1 . . 5.030 5.126 5.105 5.170 0.140 10 0 "[ . 1 . 2]" 1
271 1 27 PHE H 1 27 PHE HA . . 3.070 2.777 2.768 2.784 . 0 0 "[ . 1 . 2]" 1
272 1 27 PHE HA 1 28 LEU H . . 3.620 3.566 3.564 3.567 . 0 0 "[ . 1 . 2]" 1
273 1 27 PHE HA 1 30 TRP H . . 3.710 3.718 3.647 3.738 0.028 9 0 "[ . 1 . 2]" 1
274 1 27 PHE HA 1 30 TRP HB2 . . 3.610 3.220 3.104 3.262 . 0 0 "[ . 1 . 2]" 1
275 1 27 PHE HA 1 31 ARG H . . 3.900 3.954 3.917 3.983 0.083 15 0 "[ . 1 . 2]" 1
276 1 27 PHE QR 2 31 ARG QD . . 3.000 2.898 2.212 3.380 0.380 10 0 "[ . 1 . 2]" 1
277 1 27 PHE QR 2 31 ARG QH1 . . 2.500 2.775 2.254 4.441 1.941 10 4 "[ . + .*- *2]" 1
278 1 27 PHE QD 1 28 LEU MD2 . . 3.560 3.623 3.613 3.670 0.110 16 0 "[ . 1 . 2]" 1
279 1 27 PHE QE 2 28 LEU MD2 . . 3.000 2.985 2.509 3.018 0.018 19 0 "[ . 1 . 2]" 1
280 1 28 LEU H 1 28 LEU HA . . 3.090 2.787 2.783 2.791 . 0 0 "[ . 1 . 2]" 1
281 1 28 LEU H 1 28 LEU HB2 . . 2.680 2.465 2.455 2.473 . 0 0 "[ . 1 . 2]" 1
282 1 28 LEU H 1 28 LEU HB3 . . 3.820 3.582 3.580 3.583 . 0 0 "[ . 1 . 2]" 1
283 1 28 LEU H 1 28 LEU MD2 . . 2.870 2.916 2.905 2.930 0.060 19 0 "[ . 1 . 2]" 1
284 1 28 LEU H 1 29 TYR H . . 3.060 2.803 2.773 2.833 . 0 0 "[ . 1 . 2]" 1
285 1 28 LEU HA 1 28 LEU HB3 . . 2.970 2.491 2.485 2.498 . 0 0 "[ . 1 . 2]" 1
286 1 28 LEU HA 1 28 LEU MD1 . . 3.700 3.735 3.726 3.741 0.041 8 0 "[ . 1 . 2]" 1
287 1 28 LEU HA 1 28 LEU MD2 . . 2.610 1.948 1.937 1.959 . 0 0 "[ . 1 . 2]" 1
288 1 28 LEU HA 1 29 TYR H . . 3.480 3.556 3.549 3.561 0.081 9 0 "[ . 1 . 2]" 1
289 1 28 LEU HA 1 31 ARG H . . 3.730 3.734 3.653 3.773 0.043 17 0 "[ . 1 . 2]" 1
290 1 28 LEU HA 1 31 ARG HB2 . . 3.750 2.809 2.684 2.904 . 0 0 "[ . 1 . 2]" 1
291 1 28 LEU HB2 1 29 TYR H . . 3.570 2.444 2.383 2.501 . 0 0 "[ . 1 . 2]" 1
292 1 28 LEU HB3 1 28 LEU MD1 . . 3.230 2.245 2.205 2.287 . 0 0 "[ . 1 . 2]" 1
293 1 28 LEU HB3 1 28 LEU MD2 . . 3.160 2.512 2.508 2.519 . 0 0 "[ . 1 . 2]" 1
294 1 28 LEU HB3 1 29 TYR H . . 3.730 3.447 3.376 3.516 . 0 0 "[ . 1 . 2]" 1
295 1 28 LEU MD1 1 29 TYR H . . 4.620 4.540 4.487 4.592 . 0 0 "[ . 1 . 2]" 1
296 1 28 LEU MD2 1 31 ARG QD . . 3.890 3.082 2.673 3.902 0.012 17 0 "[ . 1 . 2]" 1
297 1 28 LEU MD2 1 31 ARG HE . . 4.750 4.262 2.665 4.769 0.019 9 0 "[ . 1 . 2]" 1
298 1 28 LEU MD2 2 27 PHE QE . . 3.000 2.992 2.498 3.026 0.026 13 0 "[ . 1 . 2]" 1
299 1 29 TYR H 1 29 TYR HA . . 3.140 2.794 2.778 2.809 . 0 0 "[ . 1 . 2]" 1
300 1 29 TYR H 1 29 TYR HB2 . . 3.270 2.750 2.716 2.771 . 0 0 "[ . 1 . 2]" 1
301 1 29 TYR H 1 29 TYR HB3 . . 3.190 2.326 2.308 2.355 . 0 0 "[ . 1 . 2]" 1
302 1 29 TYR H 1 29 TYR QD . . 3.950 4.112 4.097 4.135 0.185 9 0 "[ . 1 . 2]" 1
303 1 29 TYR H 1 30 TRP H . . 3.130 2.774 2.720 2.798 . 0 0 "[ . 1 . 2]" 1
304 1 29 TYR HA 1 32 GLY H . . 3.950 3.682 3.553 3.783 . 0 0 "[ . 1 . 2]" 1
305 1 29 TYR HB2 1 30 TRP H . . 3.860 3.941 3.923 3.990 0.130 10 0 "[ . 1 . 2]" 1
306 1 29 TYR HB3 1 30 TRP H . . 3.200 2.575 2.546 2.654 . 0 0 "[ . 1 . 2]" 1
307 1 29 TYR QD 1 30 TRP H . . 3.320 2.740 2.650 2.897 . 0 0 "[ . 1 . 2]" 1
308 1 29 TYR QE 1 30 TRP HE1 . . 5.280 5.288 5.276 5.300 0.020 19 0 "[ . 1 . 2]" 1
309 1 30 TRP H 1 30 TRP HB2 . . 2.890 2.157 2.151 2.170 . 0 0 "[ . 1 . 2]" 1
310 1 30 TRP H 1 30 TRP HB3 . . 3.130 2.990 2.973 3.003 . 0 0 "[ . 1 . 2]" 1
311 1 30 TRP H 1 30 TRP HD1 . . 4.160 4.224 4.195 4.249 0.089 9 0 "[ . 1 . 2]" 1
312 1 30 TRP H 1 31 ARG H . . 3.070 2.833 2.779 2.867 . 0 0 "[ . 1 . 2]" 1
313 1 30 TRP HA 1 31 ARG H . . 3.560 3.564 3.563 3.565 0.005 5 0 "[ . 1 . 2]" 1
314 1 30 TRP HA 1 33 ARG HB3 . . 3.630 3.568 2.577 3.679 0.049 2 0 "[ . 1 . 2]" 1
315 1 30 TRP HA 1 33 ARG QG . . 3.820 3.011 1.982 3.822 0.002 17 0 "[ . 1 . 2]" 1
316 1 30 TRP HB2 1 31 ARG H . . 3.340 3.379 3.370 3.382 0.042 5 0 "[ . 1 . 2]" 1
317 1 30 TRP HB3 1 31 ARG H . . 3.440 2.399 2.387 2.417 . 0 0 "[ . 1 . 2]" 1
318 1 30 TRP HE1 1 34 ARG QD . . 4.920 4.770 3.730 4.935 0.015 9 0 "[ . 1 . 2]" 1
319 1 30 TRP HE1 1 34 ARG QG . . 5.180 4.989 4.215 5.186 0.006 18 0 "[ . 1 . 2]" 1
320 1 30 TRP HE3 1 31 ARG H . . 3.950 3.823 3.769 3.981 0.031 10 0 "[ . 1 . 2]" 1
321 1 31 ARG H 1 31 ARG HA . . 3.040 2.766 2.756 2.783 . 0 0 "[ . 1 . 2]" 1
322 1 31 ARG H 1 31 ARG QG . . 3.090 2.584 2.218 2.792 . 0 0 "[ . 1 . 2]" 1
323 1 31 ARG H 1 32 GLY H . . 3.190 2.836 2.706 2.934 . 0 0 "[ . 1 . 2]" 1
324 1 31 ARG HA 1 31 ARG HB3 . . 2.950 2.627 2.525 2.679 . 0 0 "[ . 1 . 2]" 1
325 1 31 ARG HA 1 31 ARG QG . . 3.200 2.309 2.250 2.411 . 0 0 "[ . 1 . 2]" 1
326 1 31 ARG HA 1 32 GLY H . . 3.580 3.537 3.492 3.570 . 0 0 "[ . 1 . 2]" 1
327 1 31 ARG HA 1 34 ARG H . . 4.670 3.977 3.456 4.335 . 0 0 "[ . 1 . 2]" 1
328 1 31 ARG HA 1 35 HIS H . . 5.500 4.439 3.141 5.119 . 0 0 "[ . 1 . 2]" 1
329 1 31 ARG HB2 1 31 ARG HE . . 4.670 3.196 2.053 4.697 0.027 10 0 "[ . 1 . 2]" 1
330 1 31 ARG HB2 1 32 GLY H . . 3.640 2.720 2.378 3.046 . 0 0 "[ . 1 . 2]" 1
331 1 31 ARG HB3 1 31 ARG HE . . 4.670 2.501 1.939 4.682 0.012 10 0 "[ . 1 . 2]" 1
332 1 31 ARG HB3 1 32 GLY H . . 3.470 3.328 2.995 3.511 0.041 7 0 "[ . 1 . 2]" 1
333 1 31 ARG QD 2 27 PHE QR . . 3.000 2.892 2.207 3.390 0.390 10 0 "[ . 1 . 2]" 1
334 1 31 ARG HE 1 31 ARG QG . . 3.800 2.795 2.508 3.209 . 0 0 "[ . 1 . 2]" 1
335 1 31 ARG QH1 2 27 PHE QR . . 2.500 2.747 2.182 4.426 1.926 10 4 "[ . + .*- *2]" 1
336 1 32 GLY H 1 33 ARG H . . 3.080 2.655 2.363 2.740 . 0 0 "[ . 1 . 2]" 1
337 1 32 GLY QA 1 33 ARG H . . 3.570 2.670 2.546 2.850 . 0 0 "[ . 1 . 2]" 1
338 1 32 GLY QA 1 34 ARG H . . 4.730 4.083 3.653 4.736 0.006 8 0 "[ . 1 . 2]" 1
339 1 32 GLY QA 1 35 HIS H . . 4.930 3.466 3.034 4.640 . 0 0 "[ . 1 . 2]" 1
340 1 33 ARG H 1 33 ARG HB2 . . 3.460 2.724 2.070 3.540 0.080 9 0 "[ . 1 . 2]" 1
341 1 33 ARG H 1 33 ARG HB3 . . 3.350 2.848 2.127 3.350 0.000 8 0 "[ . 1 . 2]" 1
342 1 33 ARG H 1 33 ARG QG . . 3.260 3.030 2.619 3.283 0.023 15 0 "[ . 1 . 2]" 1
343 1 33 ARG HB2 1 33 ARG HE . . 5.080 3.704 2.666 4.585 . 0 0 "[ . 1 . 2]" 1
344 1 33 ARG HB2 1 34 ARG H . . 4.060 3.434 2.677 4.145 0.085 15 0 "[ . 1 . 2]" 1
345 1 33 ARG HB3 1 33 ARG HE . . 5.220 3.313 2.016 5.151 . 0 0 "[ . 1 . 2]" 1
346 1 33 ARG HE 1 34 ARG HA . . 5.500 4.736 3.805 5.401 . 0 0 "[ . 1 . 2]" 1
347 1 34 ARG H 1 34 ARG HB2 . . 3.440 2.533 2.181 3.620 0.180 10 0 "[ . 1 . 2]" 1
348 1 34 ARG H 1 34 ARG HB3 . . 3.590 3.545 3.207 3.620 0.030 16 0 "[ . 1 . 2]" 1
349 1 34 ARG H 1 34 ARG QD . . 4.480 3.847 2.097 4.486 0.006 16 0 "[ . 1 . 2]" 1
350 1 34 ARG H 1 34 ARG QG . . 3.400 2.427 1.934 3.404 0.004 17 0 "[ . 1 . 2]" 1
351 1 34 ARG H 1 35 HIS H . . 3.430 2.661 2.207 3.440 0.010 8 0 "[ . 1 . 2]" 1
352 1 34 ARG HA 1 35 HIS H . . 3.560 3.439 2.448 3.570 0.010 9 0 "[ . 1 . 2]" 1
353 1 34 ARG HA 1 36 HIS H . . 4.700 4.177 3.535 4.703 0.003 17 0 "[ . 1 . 2]" 1
354 1 34 ARG HB2 1 34 ARG HE . . 5.040 4.007 3.515 5.076 0.036 2 0 "[ . 1 . 2]" 1
355 1 34 ARG HB2 1 35 HIS H . . 4.240 2.871 2.244 4.320 0.080 10 0 "[ . 1 . 2]" 1
356 1 34 ARG HB3 1 35 HIS H . . 4.680 3.665 2.687 4.613 . 0 0 "[ . 1 . 2]" 1
357 1 34 ARG QG 1 35 HIS H . . 4.380 4.106 3.502 4.383 0.003 8 0 "[ . 1 . 2]" 1
358 1 35 HIS H 1 35 HIS HB2 . . 3.820 2.446 2.066 3.592 . 0 0 "[ . 1 . 2]" 1
359 1 35 HIS H 1 35 HIS HB3 . . 3.560 2.989 2.379 3.611 0.051 19 0 "[ . 1 . 2]" 1
360 1 35 HIS H 1 36 HIS H . . 3.710 2.689 2.419 2.917 . 0 0 "[ . 1 . 2]" 1
361 1 36 HIS H 1 36 HIS HB2 . . 3.860 2.455 2.090 3.945 0.085 18 0 "[ . 1 . 2]" 1
362 1 36 HIS H 1 36 HIS HB3 . . 3.560 3.174 2.484 3.581 0.021 14 0 "[ . 1 . 2]" 1
363 1 36 HIS H 1 36 HIS HD2 . . 5.500 4.829 3.579 5.418 . 0 0 "[ . 1 . 2]" 1
364 1 38 HIS H 1 38 HIS HA . . 3.090 2.823 2.277 2.947 . 0 0 "[ . 1 . 2]" 1
365 1 38 HIS H 1 38 HIS HB2 . . 4.100 2.646 2.069 3.827 . 0 0 "[ . 1 . 2]" 1
366 1 38 HIS H 1 38 HIS HB3 . . 4.010 3.255 2.619 3.806 . 0 0 "[ . 1 . 2]" 1
367 2 1 MET H1 2 1 MET HA . . 4.170 2.638 2.283 2.934 . 0 0 "[ . 1 . 2]" 1
368 2 1 MET H1 2 1 MET HB2 . . 4.840 3.095 2.229 4.202 . 0 0 "[ . 1 . 2]" 1
369 2 1 MET H1 2 1 MET HB3 . . 4.170 3.764 2.898 4.148 . 0 0 "[ . 1 . 2]" 1
370 2 1 MET H1 2 1 MET QG . . 4.470 3.600 2.500 4.300 . 0 0 "[ . 1 . 2]" 1
371 2 1 MET HA 2 2 GLY H . . 3.830 2.546 2.147 3.570 . 0 0 "[ . 1 . 2]" 1
372 2 1 MET HB2 2 2 GLY H . . 4.900 4.020 2.543 4.640 . 0 0 "[ . 1 . 2]" 1
373 2 2 GLY H 2 3 ARG H . . 4.090 3.219 2.510 4.108 0.018 12 0 "[ . 1 . 2]" 1
374 2 2 GLY QA 2 3 ARG H . . 3.520 2.265 2.135 2.802 . 0 0 "[ . 1 . 2]" 1
375 2 2 GLY QA 2 4 THR H . . 4.630 4.602 3.802 4.700 0.070 12 0 "[ . 1 . 2]" 1
376 2 3 ARG H 2 3 ARG HB2 . . 3.620 3.097 2.415 3.607 . 0 0 "[ . 1 . 2]" 1
377 2 3 ARG H 2 3 ARG QD . . 3.810 3.188 2.935 3.846 0.036 14 0 "[ . 1 . 2]" 1
378 2 3 ARG H 2 4 THR H . . 3.540 3.441 1.869 3.640 0.100 14 0 "[ . 1 . 2]" 1
379 2 3 ARG HA 2 3 ARG QG . . 3.020 2.421 2.064 3.030 0.010 14 0 "[ . 1 . 2]" 1
380 2 3 ARG HA 2 6 LEU HB2 . . 3.710 3.785 3.712 3.799 0.089 14 0 "[ . 1 . 2]" 1
381 2 3 ARG HA 2 6 LEU MD1 . . 4.080 2.578 2.318 2.688 . 0 0 "[ . 1 . 2]" 1
382 2 3 ARG HB3 2 4 THR H . . 3.840 3.962 3.455 4.046 0.206 14 0 "[ . 1 . 2]" 1
383 2 4 THR H 2 4 THR HA . . 3.050 2.937 2.867 2.947 . 0 0 "[ . 1 . 2]" 1
384 2 4 THR H 2 4 THR MG . . 3.900 3.851 3.166 3.912 0.012 13 0 "[ . 1 . 2]" 1
385 2 4 THR H 2 5 HIS H . . 3.440 2.114 2.039 2.474 . 0 0 "[ . 1 . 2]" 1
386 2 4 THR HA 2 4 THR MG . . 2.980 2.326 2.218 2.390 . 0 0 "[ . 1 . 2]" 1
387 2 4 THR HA 2 5 HIS H . . 2.800 3.561 3.521 3.572 0.772 4 20 [***+**-*************] 1
388 2 4 THR HA 2 6 LEU H . . 3.390 3.709 3.602 3.773 0.383 4 0 "[ . 1 . 2]" 1
389 2 4 THR HG1 2 4 THR MG . . 3.130 2.429 1.993 3.002 . 0 0 "[ . 1 . 2]" 1
390 2 4 THR MG 2 5 HIS H . . 3.670 3.354 3.247 3.824 0.154 4 0 "[ . 1 . 2]" 1
391 2 5 HIS H 2 6 LEU H . . 3.250 2.642 2.630 2.693 . 0 0 "[ . 1 . 2]" 1
392 2 5 HIS HA 2 6 LEU H . . 3.710 3.372 3.362 3.419 . 0 0 "[ . 1 . 2]" 1
393 2 5 HIS HA 2 8 MET H . . 3.740 3.618 3.571 3.633 . 0 0 "[ . 1 . 2]" 1
394 2 5 HIS HA 2 8 MET HB2 . . 3.990 3.529 3.434 3.595 . 0 0 "[ . 1 . 2]" 1
395 2 5 HIS HA 2 9 ALA H . . 4.120 4.204 4.190 4.211 0.091 12 0 "[ . 1 . 2]" 1
396 2 5 HIS HE1 2 6 LEU MD2 . . 4.070 3.634 3.301 4.093 0.023 4 0 "[ . 1 . 2]" 1
397 2 6 LEU H 2 6 LEU HB2 . . 2.830 2.222 2.186 2.257 . 0 0 "[ . 1 . 2]" 1
398 2 6 LEU H 2 6 LEU MD1 . . 3.350 3.391 3.385 3.410 0.060 19 0 "[ . 1 . 2]" 1
399 2 6 LEU H 2 6 LEU HG . . 3.330 2.904 2.784 3.028 . 0 0 "[ . 1 . 2]" 1
400 2 6 LEU H 2 7 THR H . . 3.220 2.529 2.521 2.596 . 0 0 "[ . 1 . 2]" 1
401 2 6 LEU HA 2 6 LEU MD1 . . 3.950 3.828 3.804 3.848 . 0 0 "[ . 1 . 2]" 1
402 2 6 LEU HA 2 6 LEU MD2 . . 3.110 2.291 2.230 2.355 . 0 0 "[ . 1 . 2]" 1
403 2 6 LEU HA 2 6 LEU HG . . 3.470 2.602 2.534 2.670 . 0 0 "[ . 1 . 2]" 1
404 2 6 LEU HA 2 7 THR H . . 3.480 3.498 3.496 3.503 0.023 7 0 "[ . 1 . 2]" 1
405 2 6 LEU HA 2 9 ALA MB . . 3.330 2.548 2.543 2.561 . 0 0 "[ . 1 . 2]" 1
406 2 6 LEU HA 2 10 LEU H . . 3.580 3.620 3.614 3.631 0.051 13 0 "[ . 1 . 2]" 1
407 2 6 LEU QB 2 6 LEU MD1 . . 2.940 1.968 1.945 1.990 . 0 0 "[ . 1 . 2]" 1
408 2 6 LEU QB 2 6 LEU MD2 . . 2.990 2.196 2.174 2.223 . 0 0 "[ . 1 . 2]" 1
409 2 6 LEU HB2 2 7 THR H . . 3.180 2.911 2.876 2.938 . 0 0 "[ . 1 . 2]" 1
410 2 6 LEU MD1 2 7 THR H . . 4.450 4.570 4.552 4.582 0.132 13 0 "[ . 1 . 2]" 1
411 2 6 LEU MD2 2 9 ALA MB . . 3.260 3.349 3.343 3.361 0.101 13 0 "[ . 1 . 2]" 1
412 2 6 LEU MD2 2 10 LEU HG . . 3.210 3.186 3.054 3.235 0.025 4 0 "[ . 1 . 2]" 1
413 2 7 THR H 2 7 THR HB . . 2.960 2.831 2.793 2.844 . 0 0 "[ . 1 . 2]" 1
414 2 7 THR H 2 7 THR HG1 . . 3.950 1.948 1.945 1.952 . 0 0 "[ . 1 . 2]" 1
415 2 7 THR H 2 7 THR MG . . 3.760 3.714 3.710 3.729 . 0 0 "[ . 1 . 2]" 1
416 2 7 THR H 2 8 MET H . . 3.160 2.861 2.858 2.865 . 0 0 "[ . 1 . 2]" 1
417 2 7 THR HA 2 7 THR MG . . 3.490 2.146 2.139 2.168 . 0 0 "[ . 1 . 2]" 1
418 2 7 THR HA 2 8 MET H . . 3.740 3.571 3.570 3.572 . 0 0 "[ . 1 . 2]" 1
419 2 7 THR HA 2 10 LEU H . . 3.750 3.780 3.775 3.784 0.034 3 0 "[ . 1 . 2]" 1
420 2 7 THR HA 2 10 LEU HB3 . . 4.200 4.285 4.282 4.292 0.092 14 0 "[ . 1 . 2]" 1
421 2 7 THR HB 2 8 MET H . . 3.200 2.237 2.233 2.247 . 0 0 "[ . 1 . 2]" 1
422 2 7 THR HG1 2 7 THR MG . . 3.170 3.006 3.004 3.012 . 0 0 "[ . 1 . 2]" 1
423 2 7 THR MG 2 8 MET H . . 3.380 3.550 3.511 3.565 0.185 13 0 "[ . 1 . 2]" 1
424 2 7 THR MG 2 10 LEU MD1 . . 3.680 3.749 3.743 3.753 0.073 13 0 "[ . 1 . 2]" 1
425 2 8 MET H 2 8 MET HB2 . . 3.090 2.407 2.316 2.478 . 0 0 "[ . 1 . 2]" 1
426 2 8 MET H 2 8 MET HB3 . . 3.820 3.577 3.556 3.587 . 0 0 "[ . 1 . 2]" 1
427 2 8 MET H 2 8 MET HG2 . . 3.550 2.912 2.242 3.499 . 0 0 "[ . 1 . 2]" 1
428 2 8 MET H 2 8 MET HG3 . . 3.390 2.883 2.220 3.380 . 0 0 "[ . 1 . 2]" 1
429 2 8 MET H 2 9 ALA H . . 2.750 2.742 2.737 2.753 0.003 7 0 "[ . 1 . 2]" 1
430 2 8 MET HA 2 9 ALA H . . 3.480 3.558 3.556 3.559 0.079 14 0 "[ . 1 . 2]" 1
431 2 8 MET HA 2 11 THR H . . 3.530 3.537 3.520 3.547 0.017 7 0 "[ . 1 . 2]" 1
432 2 8 MET HA 2 11 THR HB . . 3.340 3.060 3.021 3.072 . 0 0 "[ . 1 . 2]" 1
433 2 8 MET HB2 2 9 ALA H . . 3.490 2.480 2.436 2.545 . 0 0 "[ . 1 . 2]" 1
434 2 8 MET HB3 2 9 ALA H . . 3.470 3.403 3.294 3.472 0.002 13 0 "[ . 1 . 2]" 1
435 2 9 ALA H 2 9 ALA HA . . 3.130 2.790 2.788 2.792 . 0 0 "[ . 1 . 2]" 1
436 2 9 ALA H 2 9 ALA MB . . 2.710 2.201 2.195 2.207 . 0 0 "[ . 1 . 2]" 1
437 2 9 ALA HA 2 9 ALA MB . . 2.600 2.123 2.122 2.124 . 0 0 "[ . 1 . 2]" 1
438 2 9 ALA HA 2 10 LEU H . . 3.050 3.539 3.537 3.541 0.491 20 0 "[ . 1 . 2]" 1
439 2 9 ALA HA 2 12 VAL H . . 3.540 3.555 3.550 3.559 0.019 19 0 "[ . 1 . 2]" 1
440 2 9 ALA HA 2 12 VAL HB . . 3.630 2.980 2.966 2.996 . 0 0 "[ . 1 . 2]" 1
441 2 9 ALA HA 2 12 VAL MG2 . . 3.510 2.800 2.746 2.939 . 0 0 "[ . 1 . 2]" 1
442 2 9 ALA MB 2 13 ILE MD . . 3.550 3.360 3.279 3.420 . 0 0 "[ . 1 . 2]" 1
443 2 10 LEU H 2 10 LEU HB2 . . 2.940 2.217 2.209 2.235 . 0 0 "[ . 1 . 2]" 1
444 2 10 LEU H 2 10 LEU HB3 . . 3.660 3.514 3.510 3.523 . 0 0 "[ . 1 . 2]" 1
445 2 10 LEU H 2 11 THR H . . 3.040 2.708 2.693 2.718 . 0 0 "[ . 1 . 2]" 1
446 2 10 LEU HA 2 10 LEU MD1 . . 3.990 3.810 3.802 3.820 . 0 0 "[ . 1 . 2]" 1
447 2 10 LEU HA 2 10 LEU MD2 . . 2.800 2.418 2.325 2.525 . 0 0 "[ . 1 . 2]" 1
448 2 10 LEU HA 2 11 THR H . . 3.480 3.542 3.540 3.545 0.065 19 0 "[ . 1 . 2]" 1
449 2 10 LEU HA 2 13 ILE H . . 3.610 3.658 3.653 3.667 0.057 2 0 "[ . 1 . 2]" 1
450 2 10 LEU HA 2 13 ILE HB . . 2.960 2.996 2.981 3.006 0.046 14 0 "[ . 1 . 2]" 1
451 2 10 LEU HA 2 13 ILE MD . . 3.240 2.983 2.863 3.191 . 0 0 "[ . 1 . 2]" 1
452 2 10 LEU HB2 2 11 THR H . . 3.200 2.709 2.683 2.720 . 0 0 "[ . 1 . 2]" 1
453 2 10 LEU HB3 2 10 LEU MD1 . . 3.400 2.646 2.637 2.653 . 0 0 "[ . 1 . 2]" 1
454 2 10 LEU HB3 2 10 LEU MD2 . . 3.210 2.161 2.047 2.245 . 0 0 "[ . 1 . 2]" 1
455 2 10 LEU HB3 2 11 THR H . . 3.910 3.284 3.268 3.302 . 0 0 "[ . 1 . 2]" 1
456 2 11 THR H 2 11 THR HB . . 3.150 2.580 2.566 2.586 . 0 0 "[ . 1 . 2]" 1
457 2 11 THR H 2 11 THR HG1 . . 3.420 2.088 2.078 2.113 . 0 0 "[ . 1 . 2]" 1
458 2 11 THR H 2 11 THR MG . . 3.890 3.766 3.765 3.767 . 0 0 "[ . 1 . 2]" 1
459 2 11 THR HA 2 11 THR HB . . 3.130 3.025 3.024 3.026 . 0 0 "[ . 1 . 2]" 1
460 2 11 THR HA 2 11 THR MG . . 3.200 2.377 2.373 2.388 . 0 0 "[ . 1 . 2]" 1
461 2 11 THR HA 2 12 VAL H . . 4.160 3.547 3.542 3.549 . 0 0 "[ . 1 . 2]" 1
462 2 11 THR HA 2 14 ALA H . . 3.700 3.725 3.707 3.734 0.034 18 0 "[ . 1 . 2]" 1
463 2 11 THR HA 2 14 ALA MB . . 3.650 2.807 2.634 2.901 . 0 0 "[ . 1 . 2]" 1
464 2 11 THR HB 2 12 VAL H . . 3.350 2.542 2.528 2.587 . 0 0 "[ . 1 . 2]" 1
465 2 11 THR HB 2 12 VAL MG2 . . 3.830 3.228 3.113 3.323 . 0 0 "[ . 1 . 2]" 1
466 2 11 THR HG1 2 11 THR MG . . 3.270 3.043 3.041 3.044 . 0 0 "[ . 1 . 2]" 1
467 2 11 THR MG 2 12 VAL H . . 3.410 3.440 3.433 3.452 0.042 13 0 "[ . 1 . 2]" 1
468 2 11 THR MG 2 12 VAL HA . . 3.460 3.465 3.446 3.472 0.012 6 0 "[ . 1 . 2]" 1
469 2 12 VAL H 2 12 VAL HB . . 2.960 2.514 2.510 2.520 . 0 0 "[ . 1 . 2]" 1
470 2 12 VAL H 2 12 VAL MG1 . . 3.770 3.761 3.760 3.763 . 0 0 "[ . 1 . 2]" 1
471 2 12 VAL H 2 12 VAL MG2 . . 2.730 2.262 2.098 2.335 . 0 0 "[ . 1 . 2]" 1
472 2 12 VAL H 2 13 ILE H . . 2.860 2.795 2.772 2.803 . 0 0 "[ . 1 . 2]" 1
473 2 12 VAL HA 2 12 VAL MG1 . . 2.830 2.407 2.388 2.415 . 0 0 "[ . 1 . 2]" 1
474 2 12 VAL HA 2 12 VAL MG2 . . 2.710 2.325 2.261 2.421 . 0 0 "[ . 1 . 2]" 1
475 2 12 VAL HB 2 13 ILE H . . 3.070 2.401 2.360 2.419 . 0 0 "[ . 1 . 2]" 1
476 2 12 VAL MG1 2 13 ILE H . . 3.150 3.179 3.170 3.183 0.033 7 0 "[ . 1 . 2]" 1
477 2 12 VAL MG1 2 16 LEU HG . . 3.630 3.020 2.961 3.069 . 0 0 "[ . 1 . 2]" 1
478 2 13 ILE H 2 13 ILE HA . . 2.980 2.795 2.784 2.804 . 0 0 "[ . 1 . 2]" 1
479 2 13 ILE H 2 13 ILE HB . . 2.810 2.536 2.531 2.543 . 0 0 "[ . 1 . 2]" 1
480 2 13 ILE H 2 13 ILE HG12 . . 3.280 3.322 3.299 3.332 0.052 6 0 "[ . 1 . 2]" 1
481 2 13 ILE H 2 13 ILE HG13 . . 2.950 2.103 2.085 2.111 . 0 0 "[ . 1 . 2]" 1
482 2 13 ILE H 2 14 ALA H . . 2.870 2.796 2.728 2.836 . 0 0 "[ . 1 . 2]" 1
483 2 13 ILE HA 2 13 ILE MD . . 3.980 3.806 3.802 3.816 . 0 0 "[ . 1 . 2]" 1
484 2 13 ILE HA 2 13 ILE HG12 . . 3.510 2.491 2.483 2.507 . 0 0 "[ . 1 . 2]" 1
485 2 13 ILE HA 2 13 ILE HG13 . . 3.630 3.026 3.006 3.053 . 0 0 "[ . 1 . 2]" 1
486 2 13 ILE HA 2 13 ILE MG . . 3.260 2.396 2.355 2.411 . 0 0 "[ . 1 . 2]" 1
487 2 13 ILE HA 2 14 ALA H . . 3.720 3.558 3.546 3.563 . 0 0 "[ . 1 . 2]" 1
488 2 13 ILE HA 2 16 LEU QD . . 3.480 2.830 2.626 2.880 . 0 0 "[ . 1 . 2]" 1
489 2 13 ILE HB 2 13 ILE MD . . 3.160 2.416 2.376 2.434 . 0 0 "[ . 1 . 2]" 1
490 2 13 ILE HB 2 14 ALA H . . 3.190 2.431 2.396 2.539 . 0 0 "[ . 1 . 2]" 1
491 2 13 ILE HB 2 14 ALA MB . . 4.000 3.840 3.796 3.922 . 0 0 "[ . 1 . 2]" 1
492 2 13 ILE HG13 2 13 ILE MG . . 3.510 3.199 3.185 3.203 . 0 0 "[ . 1 . 2]" 1
493 2 13 ILE MG 2 14 ALA H . . 3.830 3.249 3.183 3.357 . 0 0 "[ . 1 . 2]" 1
494 2 13 ILE MG 2 14 ALA HA . . 3.880 3.326 3.244 3.497 . 0 0 "[ . 1 . 2]" 1
495 2 13 ILE MG 2 14 ALA MB . . 3.980 3.917 3.863 3.984 0.004 13 0 "[ . 1 . 2]" 1
496 2 13 ILE MG 2 17 VAL QG . . 3.020 2.491 2.408 2.553 . 0 0 "[ . 1 . 2]" 1
497 2 14 ALA H 2 14 ALA MB . . 2.710 2.209 2.160 2.238 . 0 0 "[ . 1 . 2]" 1
498 2 14 ALA H 2 15 GLY H . . 2.950 2.706 2.644 2.734 . 0 0 "[ . 1 . 2]" 1
499 2 14 ALA HA 2 15 GLY H . . 3.460 3.545 3.534 3.552 0.092 15 0 "[ . 1 . 2]" 1
500 2 14 ALA HA 2 17 VAL H . . 3.640 3.672 3.649 3.681 0.041 18 0 "[ . 1 . 2]" 1
501 2 14 ALA HA 2 17 VAL HB . . 3.690 2.681 2.619 2.704 . 0 0 "[ . 1 . 2]" 1
502 2 14 ALA HA 2 17 VAL QG . . 3.450 3.047 3.026 3.087 . 0 0 "[ . 1 . 2]" 1
503 2 14 ALA HA 2 18 VAL H . . 4.240 3.852 3.834 3.884 . 0 0 "[ . 1 . 2]" 1
504 2 14 ALA MB 2 15 GLY H . . 2.860 2.523 2.483 2.611 . 0 0 "[ . 1 . 2]" 1
505 2 14 ALA MB 2 15 GLY QA . . 4.030 3.523 3.484 3.573 . 0 0 "[ . 1 . 2]" 1
506 2 14 ALA MB 2 18 VAL MG2 . . 3.400 3.012 2.936 3.047 . 0 0 "[ . 1 . 2]" 1
507 2 15 GLY H 2 15 GLY QA . . 2.650 2.193 2.191 2.196 . 0 0 "[ . 1 . 2]" 1
508 2 15 GLY QA 2 16 LEU H . . 3.440 2.607 2.603 2.611 . 0 0 "[ . 1 . 2]" 1
509 2 15 GLY QA 2 16 LEU QD . . 4.270 4.087 4.060 4.099 . 0 0 "[ . 1 . 2]" 1
510 2 16 LEU H 2 16 LEU HB2 . . 3.520 2.528 2.497 2.607 . 0 0 "[ . 1 . 2]" 1
511 2 16 LEU H 2 16 LEU HB3 . . 3.680 3.584 3.583 3.586 . 0 0 "[ . 1 . 2]" 1
512 2 16 LEU H 2 16 LEU QD . . 3.260 3.018 2.968 3.038 . 0 0 "[ . 1 . 2]" 1
513 2 16 LEU HA 2 16 LEU QD . . 3.080 2.252 2.207 2.384 . 0 0 "[ . 1 . 2]" 1
514 2 16 LEU HA 2 16 LEU HG . . 3.450 3.089 3.080 3.097 . 0 0 "[ . 1 . 2]" 1
515 2 16 LEU HA 2 19 ILE H . . 3.570 3.524 3.457 3.574 0.004 19 0 "[ . 1 . 2]" 1
516 2 16 LEU HA 2 19 ILE HB . . 4.300 2.772 2.715 2.818 . 0 0 "[ . 1 . 2]" 1
517 2 16 LEU HA 2 19 ILE MD . . 2.700 1.955 1.913 1.980 . 0 0 "[ . 1 . 2]" 1
518 2 16 LEU HB2 2 16 LEU QD . . 3.200 2.246 2.213 2.271 . 0 0 "[ . 1 . 2]" 1
519 2 16 LEU HB2 2 17 VAL H . . 3.570 2.391 2.356 2.491 . 0 0 "[ . 1 . 2]" 1
520 2 16 LEU QD 2 17 VAL H . . 4.430 3.947 3.924 3.978 . 0 0 "[ . 1 . 2]" 1
521 2 17 VAL H 2 17 VAL HB . . 3.110 2.468 2.452 2.476 . 0 0 "[ . 1 . 2]" 1
522 2 17 VAL H 2 17 VAL QG . . 2.880 2.300 2.153 2.365 . 0 0 "[ . 1 . 2]" 1
523 2 17 VAL H 2 18 VAL H . . 2.900 2.884 2.836 2.905 0.005 15 0 "[ . 1 . 2]" 1
524 2 17 VAL HA 2 17 VAL QG . . 2.850 2.059 2.034 2.137 . 0 0 "[ . 1 . 2]" 1
525 2 17 VAL HA 2 18 VAL H . . 3.440 3.564 3.559 3.567 0.127 11 0 "[ . 1 . 2]" 1
526 2 17 VAL HA 2 20 PHE H . . 3.510 3.578 3.539 3.586 0.076 15 0 "[ . 1 . 2]" 1
527 2 17 VAL QG 2 18 VAL H . . 2.980 2.910 2.902 2.923 . 0 0 "[ . 1 . 2]" 1
528 2 17 VAL QG 2 21 MET H . . 3.920 3.844 3.814 3.895 . 0 0 "[ . 1 . 2]" 1
529 2 17 VAL QG 2 21 MET ME . . 2.720 1.943 1.860 2.136 . 0 0 "[ . 1 . 2]" 1
530 2 17 VAL QG 2 21 MET HG2 . . 3.690 3.563 3.516 3.648 . 0 0 "[ . 1 . 2]" 1
531 2 17 VAL QG 2 21 MET HG3 . . 3.680 2.377 2.322 2.479 . 0 0 "[ . 1 . 2]" 1
532 2 18 VAL H 2 18 VAL HA . . 3.010 2.777 2.774 2.792 . 0 0 "[ . 1 . 2]" 1
533 2 18 VAL H 2 18 VAL HB . . 2.750 2.573 2.551 2.594 . 0 0 "[ . 1 . 2]" 1
534 2 18 VAL H 2 18 VAL MG2 . . 2.570 2.179 2.084 2.231 . 0 0 "[ . 1 . 2]" 1
535 2 18 VAL H 2 19 ILE H . . 3.120 2.744 2.714 2.752 . 0 0 "[ . 1 . 2]" 1
536 2 18 VAL HA 2 18 VAL MG1 . . 2.880 2.336 2.306 2.407 . 0 0 "[ . 1 . 2]" 1
537 2 18 VAL HA 2 18 VAL MG2 . . 2.840 2.345 2.328 2.397 . 0 0 "[ . 1 . 2]" 1
538 2 18 VAL HA 2 21 MET H . . 3.460 3.661 3.609 3.679 0.219 6 0 "[ . 1 . 2]" 1
539 2 18 VAL HA 2 21 MET HB2 . . 3.670 2.724 2.705 2.786 . 0 0 "[ . 1 . 2]" 1
540 2 18 VAL HA 2 21 MET HB3 . . 4.630 4.343 4.324 4.439 . 0 0 "[ . 1 . 2]" 1
541 2 18 VAL HA 2 21 MET ME . . 3.700 2.490 2.350 2.571 . 0 0 "[ . 1 . 2]" 1
542 2 18 VAL HB 2 19 ILE H . . 3.050 2.747 2.708 2.826 . 0 0 "[ . 1 . 2]" 1
543 2 18 VAL HB 2 19 ILE MD . . 4.380 4.393 4.381 4.410 0.030 19 0 "[ . 1 . 2]" 1
544 2 18 VAL MG1 2 19 ILE H . . 3.690 3.566 3.523 3.588 . 0 0 "[ . 1 . 2]" 1
545 2 18 VAL MG1 2 19 ILE HA . . 3.580 3.554 3.456 3.587 0.007 14 0 "[ . 1 . 2]" 1
546 2 18 VAL MG1 2 22 MET H . . 4.520 3.565 3.512 3.628 . 0 0 "[ . 1 . 2]" 1
547 2 18 VAL MG1 2 22 MET ME . . 2.850 1.955 1.916 1.987 . 0 0 "[ . 1 . 2]" 1
548 2 18 VAL MG1 2 22 MET HG3 . . 3.680 1.978 1.953 2.122 . 0 0 "[ . 1 . 2]" 1
549 2 18 VAL MG2 2 21 MET ME . . 3.180 3.164 3.057 3.182 0.002 17 0 "[ . 1 . 2]" 1
550 2 19 ILE H 2 19 ILE HA . . 2.990 2.831 2.829 2.833 . 0 0 "[ . 1 . 2]" 1
551 2 19 ILE H 2 19 ILE HB . . 2.820 2.448 2.424 2.462 . 0 0 "[ . 1 . 2]" 1
552 2 19 ILE H 2 19 ILE HG12 . . 3.970 3.769 3.742 3.828 . 0 0 "[ . 1 . 2]" 1
553 2 19 ILE H 2 19 ILE HG13 . . 3.010 2.330 2.296 2.400 . 0 0 "[ . 1 . 2]" 1
554 2 19 ILE H 2 19 ILE MG . . 3.700 3.750 3.744 3.754 0.054 18 0 "[ . 1 . 2]" 1
555 2 19 ILE H 2 20 PHE H . . 3.000 2.723 2.669 2.732 . 0 0 "[ . 1 . 2]" 1
556 2 19 ILE HA 2 19 ILE MD . . 3.910 3.850 3.835 3.856 . 0 0 "[ . 1 . 2]" 1
557 2 19 ILE HA 2 19 ILE MG . . 3.550 2.428 2.421 2.440 . 0 0 "[ . 1 . 2]" 1
558 2 19 ILE HA 2 22 MET HB2 . . 3.520 2.769 2.630 2.786 . 0 0 "[ . 1 . 2]" 1
559 2 19 ILE HA 2 22 MET ME . . 3.450 2.603 2.422 2.687 . 0 0 "[ . 1 . 2]" 1
560 2 19 ILE HB 2 19 ILE MD . . 3.200 2.277 2.121 2.322 . 0 0 "[ . 1 . 2]" 1
561 2 19 ILE HB 2 20 PHE H . . 3.070 2.386 2.369 2.515 . 0 0 "[ . 1 . 2]" 1
562 2 19 ILE HG12 2 19 ILE MG . . 3.430 2.255 2.245 2.261 . 0 0 "[ . 1 . 2]" 1
563 2 19 ILE MG 2 20 PHE H . . 3.200 3.063 3.010 3.209 0.009 16 0 "[ . 1 . 2]" 1
564 2 19 ILE MG 2 23 LEU HG . . 3.400 2.151 2.081 2.177 . 0 0 "[ . 1 . 2]" 1
565 2 20 PHE H 2 20 PHE HA . . 3.040 2.793 2.789 2.812 . 0 0 "[ . 1 . 2]" 1
566 2 20 PHE HA 2 21 MET H . . 3.580 3.531 3.529 3.538 . 0 0 "[ . 1 . 2]" 1
567 2 20 PHE HA 2 23 LEU H . . 3.380 4.101 4.049 4.118 0.738 11 20 [**********+****-****] 1
568 2 20 PHE HA 2 23 LEU HB2 . . 4.150 2.950 2.938 2.996 . 0 0 "[ . 1 . 2]" 1
569 2 20 PHE HA 2 23 LEU QD . . 3.530 3.326 3.301 3.469 . 0 0 "[ . 1 . 2]" 1
570 2 20 PHE HA 2 24 GLY H . . 3.630 3.779 3.762 3.795 0.165 8 0 "[ . 1 . 2]" 1
571 2 21 MET H 2 21 MET HB2 . . 3.000 2.414 2.399 2.464 . 0 0 "[ . 1 . 2]" 1
572 2 21 MET H 2 21 MET HB3 . . 3.720 3.589 3.586 3.597 . 0 0 "[ . 1 . 2]" 1
573 2 21 MET H 2 21 MET HG2 . . 3.250 3.231 3.123 3.254 0.004 18 0 "[ . 1 . 2]" 1
574 2 21 MET H 2 21 MET HG3 . . 3.130 2.555 2.472 2.589 . 0 0 "[ . 1 . 2]" 1
575 2 21 MET H 2 22 MET H . . 3.060 2.681 2.584 2.695 . 0 0 "[ . 1 . 2]" 1
576 2 21 MET HA 2 22 MET H . . 3.510 3.568 3.550 3.570 0.060 9 0 "[ . 1 . 2]" 1
577 2 21 MET HA 2 25 GLY H . . 3.830 3.797 3.767 3.855 0.025 16 0 "[ . 1 . 2]" 1
578 2 21 MET HB2 2 22 MET H . . 2.960 2.338 2.294 2.527 . 0 0 "[ . 1 . 2]" 1
579 2 21 MET HB3 2 22 MET H . . 3.690 3.318 3.290 3.526 . 0 0 "[ . 1 . 2]" 1
580 2 22 MET H 2 22 MET HA . . 3.110 2.787 2.782 2.823 . 0 0 "[ . 1 . 2]" 1
581 2 22 MET H 2 22 MET HB2 . . 3.050 2.335 2.285 2.339 . 0 0 "[ . 1 . 2]" 1
582 2 22 MET H 2 22 MET HB3 . . 3.750 3.562 3.546 3.564 . 0 0 "[ . 1 . 2]" 1
583 2 22 MET H 2 22 MET QG . . 3.060 2.506 2.495 2.608 . 0 0 "[ . 1 . 2]" 1
584 2 22 MET H 2 23 LEU H . . 2.970 2.853 2.780 2.870 . 0 0 "[ . 1 . 2]" 1
585 2 22 MET HA 2 25 GLY H . . 3.630 3.746 3.733 3.761 0.131 19 0 "[ . 1 . 2]" 1
586 2 22 MET HA 2 26 THR H . . 3.940 3.777 3.758 3.808 . 0 0 "[ . 1 . 2]" 1
587 2 22 MET HB2 2 23 LEU H . . 3.270 2.456 2.433 2.463 . 0 0 "[ . 1 . 2]" 1
588 2 22 MET HB2 2 23 LEU QD . . 4.090 3.970 3.961 3.975 . 0 0 "[ . 1 . 2]" 1
589 2 22 MET HB3 2 23 LEU H . . 3.310 3.194 3.114 3.207 . 0 0 "[ . 1 . 2]" 1
590 2 23 LEU H 2 23 LEU HA . . 3.040 2.772 2.769 2.773 . 0 0 "[ . 1 . 2]" 1
591 2 23 LEU H 2 23 LEU HB2 . . 2.720 2.398 2.395 2.408 . 0 0 "[ . 1 . 2]" 1
592 2 23 LEU H 2 23 LEU HB3 . . 3.730 3.574 3.572 3.576 . 0 0 "[ . 1 . 2]" 1
593 2 23 LEU H 2 23 LEU QD . . 3.210 3.066 3.055 3.070 . 0 0 "[ . 1 . 2]" 1
594 2 23 LEU H 2 24 GLY H . . 3.000 2.858 2.835 2.870 . 0 0 "[ . 1 . 2]" 1
595 2 23 LEU HA 2 23 LEU QD . . 3.100 2.027 2.019 2.039 . 0 0 "[ . 1 . 2]" 1
596 2 23 LEU HA 2 24 GLY H . . 3.380 3.563 3.555 3.565 0.185 4 0 "[ . 1 . 2]" 1
597 2 23 LEU HA 2 26 THR H . . 3.630 3.663 3.641 3.685 0.055 17 0 "[ . 1 . 2]" 1
598 2 23 LEU HA 2 26 THR HB . . 3.390 2.641 2.560 2.702 . 0 0 "[ . 1 . 2]" 1
599 2 23 LEU HB2 2 24 GLY H . . 3.210 2.462 2.437 2.530 . 0 0 "[ . 1 . 2]" 1
600 2 23 LEU HB3 2 23 LEU QD . . 3.150 2.112 2.110 2.114 . 0 0 "[ . 1 . 2]" 1
601 2 23 LEU HB3 2 24 GLY H . . 3.420 3.332 3.302 3.413 . 0 0 "[ . 1 . 2]" 1
602 2 23 LEU QD 2 27 PHE QD . . 4.410 3.927 3.882 3.955 . 0 0 "[ . 1 . 2]" 1
603 2 24 GLY H 2 24 GLY HA2 . . 2.910 2.806 2.805 2.808 . 0 0 "[ . 1 . 2]" 1
604 2 24 GLY H 2 24 GLY HA3 . . 2.940 2.295 2.294 2.295 . 0 0 "[ . 1 . 2]" 1
605 2 24 GLY HA3 2 25 GLY H . . 3.420 2.682 2.660 2.700 . 0 0 "[ . 1 . 2]" 1
606 2 25 GLY H 2 25 GLY HA2 . . 2.940 2.830 2.825 2.834 . 0 0 "[ . 1 . 2]" 1
607 2 25 GLY H 2 25 GLY HA3 . . 2.810 2.297 2.296 2.298 . 0 0 "[ . 1 . 2]" 1
608 2 25 GLY H 2 26 THR H . . 2.970 2.625 2.608 2.642 . 0 0 "[ . 1 . 2]" 1
609 2 25 GLY HA2 2 28 LEU MD1 . . 3.870 3.695 3.668 3.727 . 0 0 "[ . 1 . 2]" 1
610 2 25 GLY HA3 2 26 THR H . . 3.290 2.925 2.913 2.942 . 0 0 "[ . 1 . 2]" 1
611 2 26 THR H 2 26 THR HA . . 3.140 2.858 2.857 2.860 . 0 0 "[ . 1 . 2]" 1
612 2 26 THR H 2 26 THR HB . . 3.020 2.432 2.424 2.441 . 0 0 "[ . 1 . 2]" 1
613 2 26 THR H 2 26 THR HG1 . . 3.380 2.550 2.366 2.759 . 0 0 "[ . 1 . 2]" 1
614 2 26 THR H 2 26 THR MG . . 3.720 3.754 3.751 3.757 0.037 13 0 "[ . 1 . 2]" 1
615 2 26 THR H 2 27 PHE H . . 3.020 2.640 2.621 2.661 . 0 0 "[ . 1 . 2]" 1
616 2 26 THR HA 2 26 THR MG . . 3.480 2.378 2.371 2.386 . 0 0 "[ . 1 . 2]" 1
617 2 26 THR HA 2 27 PHE H . . 3.620 3.565 3.562 3.568 . 0 0 "[ . 1 . 2]" 1
618 2 26 THR HA 2 30 TRP H . . 3.910 3.770 3.748 3.817 . 0 0 "[ . 1 . 2]" 1
619 2 26 THR HB 2 27 PHE H . . 3.300 2.393 2.344 2.432 . 0 0 "[ . 1 . 2]" 1
620 2 26 THR MG 2 27 PHE H . . 3.460 3.139 3.098 3.185 . 0 0 "[ . 1 . 2]" 1
621 2 26 THR MG 2 29 TYR QD . . 4.410 3.663 3.621 3.726 . 0 0 "[ . 1 . 2]" 1
622 2 26 THR MG 2 30 TRP H . . 3.800 3.775 3.748 3.804 0.004 16 0 "[ . 1 . 2]" 1
623 2 26 THR MG 2 30 TRP HB2 . . 4.500 3.047 3.028 3.071 . 0 0 "[ . 1 . 2]" 1
624 2 26 THR MG 2 30 TRP HD1 . . 4.030 3.349 3.261 3.570 . 0 0 "[ . 1 . 2]" 1
625 2 26 THR MG 2 30 TRP HE1 . . 5.030 5.081 5.065 5.138 0.108 15 0 "[ . 1 . 2]" 1
626 2 27 PHE H 2 27 PHE HA . . 3.070 2.776 2.766 2.783 . 0 0 "[ . 1 . 2]" 1
627 2 27 PHE HA 2 28 LEU H . . 3.620 3.567 3.566 3.568 . 0 0 "[ . 1 . 2]" 1
628 2 27 PHE HA 2 30 TRP H . . 3.710 3.716 3.648 3.732 0.022 9 0 "[ . 1 . 2]" 1
629 2 27 PHE HA 2 30 TRP HB2 . . 3.610 3.210 3.103 3.243 . 0 0 "[ . 1 . 2]" 1
630 2 27 PHE HA 2 31 ARG H . . 3.900 3.947 3.905 3.974 0.074 15 0 "[ . 1 . 2]" 1
631 2 27 PHE QD 2 28 LEU MD2 . . 3.560 3.656 3.647 3.683 0.123 16 0 "[ . 1 . 2]" 1
632 2 28 LEU H 2 28 LEU HA . . 3.090 2.784 2.779 2.787 . 0 0 "[ . 1 . 2]" 1
633 2 28 LEU H 2 28 LEU HB2 . . 2.680 2.472 2.463 2.480 . 0 0 "[ . 1 . 2]" 1
634 2 28 LEU H 2 28 LEU HB3 . . 3.820 3.582 3.581 3.583 . 0 0 "[ . 1 . 2]" 1
635 2 28 LEU H 2 28 LEU MD2 . . 2.870 2.897 2.887 2.910 0.040 19 0 "[ . 1 . 2]" 1
636 2 28 LEU H 2 29 TYR H . . 3.060 2.806 2.777 2.838 . 0 0 "[ . 1 . 2]" 1
637 2 28 LEU HA 2 28 LEU HB3 . . 2.970 2.488 2.482 2.495 . 0 0 "[ . 1 . 2]" 1
638 2 28 LEU HA 2 28 LEU MD1 . . 3.700 3.734 3.726 3.740 0.040 8 0 "[ . 1 . 2]" 1
639 2 28 LEU HA 2 28 LEU MD2 . . 2.610 1.952 1.941 1.963 . 0 0 "[ . 1 . 2]" 1
640 2 28 LEU HA 2 29 TYR H . . 3.480 3.554 3.548 3.561 0.081 4 0 "[ . 1 . 2]" 1
641 2 28 LEU HA 2 31 ARG H . . 3.730 3.731 3.644 3.767 0.037 15 0 "[ . 1 . 2]" 1
642 2 28 LEU HA 2 31 ARG HB2 . . 3.750 2.784 2.654 2.868 . 0 0 "[ . 1 . 2]" 1
643 2 28 LEU HB2 2 29 TYR H . . 3.570 2.452 2.389 2.504 . 0 0 "[ . 1 . 2]" 1
644 2 28 LEU HB3 2 28 LEU MD1 . . 3.230 2.245 2.204 2.286 . 0 0 "[ . 1 . 2]" 1
645 2 28 LEU HB3 2 28 LEU MD2 . . 3.160 2.513 2.509 2.521 . 0 0 "[ . 1 . 2]" 1
646 2 28 LEU HB3 2 29 TYR H . . 3.730 3.461 3.387 3.527 . 0 0 "[ . 1 . 2]" 1
647 2 28 LEU MD1 2 29 TYR H . . 4.620 4.548 4.495 4.596 . 0 0 "[ . 1 . 2]" 1
648 2 28 LEU MD2 2 31 ARG QD . . 3.890 3.084 2.637 3.903 0.013 17 0 "[ . 1 . 2]" 1
649 2 28 LEU MD2 2 31 ARG HE . . 4.750 4.241 2.650 4.753 0.003 16 0 "[ . 1 . 2]" 1
650 2 29 TYR H 2 29 TYR HA . . 3.140 2.792 2.777 2.805 . 0 0 "[ . 1 . 2]" 1
651 2 29 TYR H 2 29 TYR HB2 . . 3.270 2.746 2.714 2.765 . 0 0 "[ . 1 . 2]" 1
652 2 29 TYR H 2 29 TYR HB3 . . 3.190 2.330 2.313 2.355 . 0 0 "[ . 1 . 2]" 1
653 2 29 TYR H 2 29 TYR QD . . 3.950 4.115 4.101 4.137 0.187 9 0 "[ . 1 . 2]" 1
654 2 29 TYR H 2 30 TRP H . . 3.130 2.781 2.726 2.804 . 0 0 "[ . 1 . 2]" 1
655 2 29 TYR HA 2 32 GLY H . . 3.950 3.700 3.565 3.810 . 0 0 "[ . 1 . 2]" 1
656 2 29 TYR HB2 2 30 TRP H . . 3.860 3.935 3.917 3.981 0.121 10 0 "[ . 1 . 2]" 1
657 2 29 TYR HB3 2 30 TRP H . . 3.200 2.566 2.538 2.638 . 0 0 "[ . 1 . 2]" 1
658 2 29 TYR QD 2 30 TRP H . . 3.320 2.735 2.649 2.889 . 0 0 "[ . 1 . 2]" 1
659 2 29 TYR QE 2 30 TRP HE1 . . 5.280 5.171 5.133 5.216 . 0 0 "[ . 1 . 2]" 1
660 2 30 TRP H 2 30 TRP HB2 . . 2.890 2.142 2.136 2.152 . 0 0 "[ . 1 . 2]" 1
661 2 30 TRP H 2 30 TRP HB3 . . 3.130 3.017 3.002 3.028 . 0 0 "[ . 1 . 2]" 1
662 2 30 TRP H 2 30 TRP HD1 . . 4.160 4.171 4.154 4.188 0.028 9 0 "[ . 1 . 2]" 1
663 2 30 TRP H 2 31 ARG H . . 3.070 2.830 2.773 2.863 . 0 0 "[ . 1 . 2]" 1
664 2 30 TRP HA 2 31 ARG H . . 3.560 3.565 3.563 3.567 0.007 10 0 "[ . 1 . 2]" 1
665 2 30 TRP HA 2 33 ARG HB3 . . 3.630 3.621 3.465 3.689 0.059 7 0 "[ . 1 . 2]" 1
666 2 30 TRP HA 2 33 ARG QG . . 3.820 3.092 1.988 3.828 0.008 2 0 "[ . 1 . 2]" 1
667 2 30 TRP HB2 2 31 ARG H . . 3.340 3.344 3.330 3.353 0.013 8 0 "[ . 1 . 2]" 1
668 2 30 TRP HB3 2 31 ARG H . . 3.440 2.407 2.378 2.436 . 0 0 "[ . 1 . 2]" 1
669 2 30 TRP HE1 2 34 ARG QD . . 4.920 4.350 3.549 4.939 0.019 15 0 "[ . 1 . 2]" 1
670 2 30 TRP HE1 2 34 ARG QG . . 5.180 4.842 4.332 5.207 0.027 15 0 "[ . 1 . 2]" 1
671 2 30 TRP HE3 2 31 ARG H . . 3.950 3.890 3.838 3.995 0.045 10 0 "[ . 1 . 2]" 1
672 2 31 ARG H 2 31 ARG HA . . 3.040 2.766 2.758 2.781 . 0 0 "[ . 1 . 2]" 1
673 2 31 ARG H 2 31 ARG QG . . 3.090 2.587 2.221 2.796 . 0 0 "[ . 1 . 2]" 1
674 2 31 ARG H 2 32 GLY H . . 3.190 2.836 2.712 2.933 . 0 0 "[ . 1 . 2]" 1
675 2 31 ARG HA 2 31 ARG HB3 . . 2.950 2.628 2.527 2.684 . 0 0 "[ . 1 . 2]" 1
676 2 31 ARG HA 2 31 ARG QG . . 3.200 2.309 2.247 2.409 . 0 0 "[ . 1 . 2]" 1
677 2 31 ARG HA 2 32 GLY H . . 3.580 3.537 3.490 3.571 . 0 0 "[ . 1 . 2]" 1
678 2 31 ARG HA 2 34 ARG H . . 4.670 4.045 3.415 4.360 . 0 0 "[ . 1 . 2]" 1
679 2 31 ARG HA 2 35 HIS H . . 5.500 4.642 2.889 5.437 . 0 0 "[ . 1 . 2]" 1
680 2 31 ARG HB2 2 31 ARG HE . . 4.670 3.199 2.054 4.699 0.029 10 0 "[ . 1 . 2]" 1
681 2 31 ARG HB2 2 32 GLY H . . 3.640 2.723 2.383 3.062 . 0 0 "[ . 1 . 2]" 1
682 2 31 ARG HB3 2 31 ARG HE . . 4.670 2.502 1.942 4.682 0.012 10 0 "[ . 1 . 2]" 1
683 2 31 ARG HB3 2 32 GLY H . . 3.470 3.328 2.993 3.509 0.039 7 0 "[ . 1 . 2]" 1
684 2 31 ARG HE 2 31 ARG QG . . 3.800 2.794 2.508 3.209 . 0 0 "[ . 1 . 2]" 1
685 2 32 GLY H 2 33 ARG H . . 3.080 2.638 2.356 2.772 . 0 0 "[ . 1 . 2]" 1
686 2 32 GLY QA 2 33 ARG H . . 3.570 2.699 2.542 2.874 . 0 0 "[ . 1 . 2]" 1
687 2 32 GLY QA 2 34 ARG H . . 4.730 4.256 3.679 4.755 0.025 17 0 "[ . 1 . 2]" 1
688 2 32 GLY QA 2 35 HIS H . . 4.930 3.922 3.267 4.795 . 0 0 "[ . 1 . 2]" 1
689 2 33 ARG H 2 33 ARG HB2 . . 3.460 2.593 2.069 3.548 0.088 7 0 "[ . 1 . 2]" 1
690 2 33 ARG H 2 33 ARG HB3 . . 3.350 2.966 2.209 3.399 0.049 15 0 "[ . 1 . 2]" 1
691 2 33 ARG H 2 33 ARG QG . . 3.260 3.051 2.582 3.303 0.043 15 0 "[ . 1 . 2]" 1
692 2 33 ARG HB2 2 33 ARG HE . . 5.080 3.842 3.047 4.551 . 0 0 "[ . 1 . 2]" 1
693 2 33 ARG HB2 2 34 ARG H . . 4.060 3.247 2.633 4.123 0.063 10 0 "[ . 1 . 2]" 1
694 2 33 ARG HB3 2 33 ARG HE . . 5.220 3.212 1.988 4.788 . 0 0 "[ . 1 . 2]" 1
695 2 33 ARG HE 2 34 ARG HA . . 5.500 5.019 3.912 5.505 0.005 8 0 "[ . 1 . 2]" 1
696 2 34 ARG H 2 34 ARG HB2 . . 3.440 2.958 2.208 3.623 0.183 1 0 "[ . 1 . 2]" 1
697 2 34 ARG H 2 34 ARG HB3 . . 3.590 3.507 3.261 3.672 0.082 8 0 "[ . 1 . 2]" 1
698 2 34 ARG H 2 34 ARG QD . . 4.480 4.059 2.315 4.517 0.037 15 0 "[ . 1 . 2]" 1
699 2 34 ARG H 2 34 ARG QG . . 3.400 2.323 2.010 2.753 . 0 0 "[ . 1 . 2]" 1
700 2 34 ARG H 2 35 HIS H . . 3.430 2.962 1.919 3.450 0.020 11 0 "[ . 1 . 2]" 1
701 2 34 ARG HA 2 35 HIS H . . 3.560 3.017 2.444 3.570 0.010 14 0 "[ . 1 . 2]" 1
702 2 34 ARG HA 2 36 HIS H . . 4.700 3.898 3.202 4.795 0.095 15 0 "[ . 1 . 2]" 1
703 2 34 ARG HB2 2 34 ARG HE . . 5.040 3.620 2.215 5.008 . 0 0 "[ . 1 . 2]" 1
704 2 34 ARG HB2 2 35 HIS H . . 4.240 3.482 1.986 4.281 0.041 1 0 "[ . 1 . 2]" 1
705 2 34 ARG HB3 2 35 HIS H . . 4.680 4.035 2.759 4.604 . 0 0 "[ . 1 . 2]" 1
706 2 34 ARG QG 2 35 HIS H . . 4.380 4.148 2.337 4.425 0.045 13 0 "[ . 1 . 2]" 1
707 2 35 HIS H 2 35 HIS HB2 . . 3.820 3.102 2.193 3.608 . 0 0 "[ . 1 . 2]" 1
708 2 35 HIS H 2 35 HIS HB3 . . 3.560 3.040 2.408 3.754 0.194 18 0 "[ . 1 . 2]" 1
709 2 35 HIS H 2 36 HIS H . . 3.710 2.993 1.900 3.796 0.086 20 0 "[ . 1 . 2]" 1
710 2 36 HIS H 2 36 HIS HB2 . . 3.860 2.667 2.069 3.677 . 0 0 "[ . 1 . 2]" 1
711 2 36 HIS H 2 36 HIS HB3 . . 3.560 3.082 2.485 3.645 0.085 18 0 "[ . 1 . 2]" 1
712 2 36 HIS H 2 36 HIS HD2 . . 5.500 4.944 3.453 5.508 0.008 15 0 "[ . 1 . 2]" 1
713 2 38 HIS H 2 38 HIS HA . . 3.090 2.741 2.275 2.948 . 0 0 "[ . 1 . 2]" 1
714 2 38 HIS H 2 38 HIS HB2 . . 4.100 3.050 2.210 3.838 . 0 0 "[ . 1 . 2]" 1
715 2 38 HIS H 2 38 HIS HB3 . . 4.010 3.312 2.548 4.011 0.001 5 0 "[ . 1 . 2]" 1
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