NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
586688 |
2mr8   |
25065 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mr8
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 840
_Distance_constraint_stats_list.Viol_count 1063
_Distance_constraint_stats_list.Viol_total 2521.678
_Distance_constraint_stats_list.Viol_max 0.973
_Distance_constraint_stats_list.Viol_rms 0.0483
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.1186
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 2.035 0.328 14 0 "[ . 1 . 2]"
1 6 ALA 1.086 0.208 14 0 "[ . 1 . 2]"
1 7 PRO 0.089 0.056 12 0 "[ . 1 . 2]"
1 8 GLU 0.128 0.068 7 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 1.833 0.243 19 0 "[ . 1 . 2]"
1 11 THR 5.494 0.202 17 0 "[ . 1 . 2]"
1 12 GLU 4.807 0.516 19 1 "[ . 1 . +2]"
1 13 LYS 6.836 0.415 19 0 "[ . 1 . 2]"
1 14 VAL 11.597 0.489 20 0 "[ . 1 . 2]"
1 15 LEU 10.908 0.306 2 0 "[ . 1 . 2]"
1 16 CYS 4.751 0.700 17 2 "[ . 1- . + 2]"
1 17 ALA 1.333 0.179 6 0 "[ . 1 . 2]"
1 18 LEU 2.687 0.179 6 0 "[ . 1 . 2]"
1 19 TYR 0.368 0.138 20 0 "[ . 1 . 2]"
1 20 ALA 12.303 0.662 18 7 "[ . - 1 *** *+ *]"
1 21 GLU 0.725 0.199 20 0 "[ . 1 . 2]"
1 22 ILE 2.849 0.916 7 2 "[ . + -1 . 2]"
1 23 LEU 7.358 0.817 7 3 "[ . + -1 * . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 24.580 0.941 16 12 "[ -.* **1 ****+** *]"
1 26 GLU 14.100 0.941 16 8 "[ -.* *1 * **+ *]"
1 27 ARG 1.527 0.372 18 0 "[ . 1 . 2]"
1 28 VAL 0.063 0.058 7 0 "[ . 1 . 2]"
1 29 GLY 0.238 0.048 18 0 "[ . 1 . 2]"
1 30 VAL 1.119 0.354 11 0 "[ . 1 . 2]"
1 31 ASP 1.187 0.183 17 0 "[ . 1 . 2]"
1 32 ASP 2.380 0.157 18 0 "[ . 1 . 2]"
1 33 ALA 2.010 0.116 8 0 "[ . 1 . 2]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.575 0.157 18 0 "[ . 1 . 2]"
1 37 LEU 5.361 0.813 12 1 "[ . 1 + . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 0.689 0.384 7 0 "[ . 1 . 2]"
1 40 SER 0.245 0.133 7 0 "[ . 1 . 2]"
1 43 LEU 4.824 0.916 7 2 "[ . + -1 . 2]"
1 44 ALA 1.036 0.276 16 0 "[ . 1 . 2]"
1 45 MET 6.250 0.818 9 1 "[ . +1 . 2]"
1 46 ARG 0.394 0.178 3 0 "[ . 1 . 2]"
1 47 LEU 0.383 0.183 2 0 "[ . 1 . 2]"
1 48 ILE 3.822 0.818 9 1 "[ . +1 . 2]"
1 49 ALA 1.763 0.297 11 0 "[ . 1 . 2]"
1 50 ARG 3.596 0.297 11 0 "[ . 1 . 2]"
1 51 ILE 1.500 0.183 2 0 "[ . 1 . 2]"
1 52 ARG 6.168 0.973 12 4 "[ . 1 + .* -*]"
1 53 GLU 0.974 0.244 3 0 "[ . 1 . 2]"
1 54 GLU 0.055 0.034 18 0 "[ . 1 . 2]"
1 55 LEU 4.500 0.489 20 0 "[ . 1 . 2]"
1 56 GLY 1.737 0.284 12 0 "[ . 1 . 2]"
1 57 VAL 6.034 0.973 12 5 "[ . 1 + .** -*]"
1 58 ASP 1.326 0.747 17 1 "[ . 1 . + 2]"
1 59 LEU 0.428 0.363 2 0 "[ . 1 . 2]"
1 60 PRO 0.666 0.308 20 0 "[ . 1 . 2]"
1 61 ILE 1.218 0.308 20 0 "[ . 1 . 2]"
1 62 ARG 5.650 0.595 14 3 "[ . 1 *+. -2]"
1 63 GLN 10.010 0.874 18 5 "[ . *1 **. +-2]"
1 64 LEU 0.555 0.363 2 0 "[ . 1 . 2]"
1 65 PHE 1.459 0.164 10 0 "[ . 1 . 2]"
1 66 SER 0.089 0.089 10 0 "[ . 1 . 2]"
1 67 SER 5.161 0.342 17 0 "[ . 1 . 2]"
1 68 PRO 3.754 0.342 17 0 "[ . 1 . 2]"
1 69 THR 1.358 0.277 12 0 "[ . 1 . 2]"
1 70 PRO 2.406 0.700 17 2 "[ . 1- . + 2]"
1 71 ALA 2.046 0.354 11 0 "[ . 1 . 2]"
1 72 GLY 1.141 0.200 12 0 "[ . 1 . 2]"
1 73 VAL 1.560 0.245 20 0 "[ . 1 . 2]"
1 74 ALA 4.934 0.516 19 1 "[ . 1 . +2]"
1 75 ARG 3.700 0.436 20 0 "[ . 1 . 2]"
1 76 ALA 4.977 0.874 18 5 "[ . *1 **. +-2]"
1 77 LEU 0.828 0.098 11 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLN 2.880 0.771 10 1 "[ . + . 2]"
1 89 PHE 2.880 0.771 10 1 "[ . + . 2]"
1 90 GLU 1.421 0.566 3 1 "[ + . 1 . 2]"
1 91 LYS 1.421 0.566 3 1 "[ + . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 MET H 1 3 MET ME 5.500 . 5.500 4.482 3.252 5.291 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET HA 1 3 MET ME 5.500 . 5.500 4.207 3.093 4.958 . 0 0 "[ . 1 . 2]" 1
3 1 5 LYS HA 1 5 LYS HG2 4.070 . 4.070 2.743 2.272 3.535 . 0 0 "[ . 1 . 2]" 1
4 1 5 LYS HA 1 5 LYS HG3 3.790 . 3.790 2.960 2.294 3.711 . 0 0 "[ . 1 . 2]" 1
5 1 5 LYS HA 1 6 ALA MB 4.040 . 4.040 4.033 3.806 4.248 0.208 14 0 "[ . 1 . 2]" 1
6 1 5 LYS QB 1 6 ALA H 4.150 . 4.150 2.855 1.731 3.903 . 0 0 "[ . 1 . 2]" 1
7 1 5 LYS HD2 1 5 LYS QE 2.720 . 2.720 2.359 2.195 2.451 . 0 0 "[ . 1 . 2]" 1
8 1 5 LYS HD2 1 5 LYS HG3 2.700 . 2.700 2.522 2.255 3.028 0.328 14 0 "[ . 1 . 2]" 1
9 1 5 LYS QE 1 5 LYS QG 2.930 . 2.930 2.255 2.074 2.784 . 0 0 "[ . 1 . 2]" 1
10 1 5 LYS QE 1 5 LYS HG3 3.370 . 3.370 2.686 2.272 3.567 0.197 15 0 "[ . 1 . 2]" 1
11 1 6 ALA H 1 6 ALA MB 3.400 . 3.400 2.548 2.094 2.920 . 0 0 "[ . 1 . 2]" 1
12 1 6 ALA MB 1 7 PRO HD2 3.040 . 3.040 2.362 2.006 3.096 0.056 12 0 "[ . 1 . 2]" 1
13 1 6 ALA MB 1 7 PRO QG 4.520 . 4.520 3.757 3.468 4.121 . 0 0 "[ . 1 . 2]" 1
14 1 7 PRO HA 1 30 VAL QG . . 4.010 2.690 2.010 3.945 . 0 0 "[ . 1 . 2]" 1
15 1 7 PRO HB2 1 8 GLU H 3.940 . 3.940 2.564 1.877 3.328 . 0 0 "[ . 1 . 2]" 1
16 1 7 PRO HB2 1 30 VAL QG 4.520 . 4.520 2.587 2.018 2.901 . 0 0 "[ . 1 . 2]" 1
17 1 7 PRO HB2 1 30 VAL QG 4.950 . 4.950 3.171 2.076 4.633 . 0 0 "[ . 1 . 2]" 1
18 1 7 PRO HB3 1 8 GLU H 4.230 . 4.230 3.696 2.807 4.221 . 0 0 "[ . 1 . 2]" 1
19 1 8 GLU H 1 8 GLU HB2 4.000 . 4.000 2.859 2.333 3.833 . 0 0 "[ . 1 . 2]" 1
20 1 8 GLU H 1 8 GLU HB3 3.990 . 3.990 3.312 2.483 4.058 0.068 7 0 "[ . 1 . 2]" 1
21 1 8 GLU H 1 8 GLU QG 4.520 . 4.520 2.954 1.908 3.947 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLU H 1 30 VAL QG 4.520 . 4.520 3.405 2.052 4.328 . 0 0 "[ . 1 . 2]" 1
23 1 8 GLU HA 1 8 GLU QG 3.670 . 3.670 2.716 2.216 3.391 . 0 0 "[ . 1 . 2]" 1
24 1 10 ALA HA 1 12 GLU H 5.000 . 5.000 4.073 3.860 4.400 . 0 0 "[ . 1 . 2]" 1
25 1 10 ALA HA 1 13 LYS H 4.340 . 4.340 3.822 3.652 3.965 . 0 0 "[ . 1 . 2]" 1
26 1 10 ALA HA 1 13 LYS HB3 4.130 . 4.130 3.917 3.634 4.146 0.016 5 0 "[ . 1 . 2]" 1
27 1 10 ALA MB 1 11 THR H 4.680 . 4.680 2.700 2.475 2.981 . 0 0 "[ . 1 . 2]" 1
28 1 10 ALA MB 1 13 LYS H 4.640 . 4.640 4.729 4.608 4.883 0.243 19 0 "[ . 1 . 2]" 1
29 1 11 THR H 1 11 THR MG 4.170 . 4.170 3.662 3.512 3.789 . 0 0 "[ . 1 . 2]" 1
30 1 11 THR H 1 12 GLU H 3.550 . 3.550 2.370 2.273 2.463 . 0 0 "[ . 1 . 2]" 1
31 1 11 THR H 1 74 ALA MB 4.640 . 4.640 3.746 3.299 3.994 . 0 0 "[ . 1 . 2]" 1
32 1 11 THR HA 1 11 THR MG 3.080 . 3.080 2.221 2.126 2.373 . 0 0 "[ . 1 . 2]" 1
33 1 11 THR HA 1 11 THR MG 3.730 . 3.730 2.190 2.108 2.314 . 0 0 "[ . 1 . 2]" 1
34 1 11 THR HA 1 13 LYS H 4.720 . 4.720 3.952 3.779 4.095 . 0 0 "[ . 1 . 2]" 1
35 1 11 THR HA 1 14 VAL MG1 3.330 . 3.330 2.116 2.037 2.239 . 0 0 "[ . 1 . 2]" 1
36 1 11 THR HA 1 14 VAL MG1 4.290 . 4.290 2.221 2.114 2.393 . 0 0 "[ . 1 . 2]" 1
37 1 11 THR HA 1 14 VAL MG2 4.030 . 4.030 3.018 2.544 3.397 . 0 0 "[ . 1 . 2]" 1
38 1 11 THR HA 1 77 LEU QD 5.420 . 5.420 5.023 4.281 5.408 . 0 0 "[ . 1 . 2]" 1
39 1 11 THR HB 1 12 GLU H 3.830 . 3.830 3.047 2.846 3.183 . 0 0 "[ . 1 . 2]" 1
40 1 11 THR HB 1 14 VAL MG1 4.550 . 4.550 4.659 4.573 4.752 0.202 17 0 "[ . 1 . 2]" 1
41 1 11 THR HB 1 15 LEU MD1 3.550 . 3.550 3.125 2.598 3.510 . 0 0 "[ . 1 . 2]" 1
42 1 11 THR HB 1 74 ALA HA 4.470 . 4.470 3.319 2.702 3.724 . 0 0 "[ . 1 . 2]" 1
43 1 11 THR HB 1 74 ALA MB 4.650 . 4.650 2.350 2.106 2.540 . 0 0 "[ . 1 . 2]" 1
44 1 11 THR HB 1 77 LEU QD 4.230 . 4.230 2.226 2.028 2.897 . 0 0 "[ . 1 . 2]" 1
45 1 11 THR MG 1 12 GLU H 4.440 . 4.440 4.176 4.056 4.273 . 0 0 "[ . 1 . 2]" 1
46 1 11 THR MG 1 14 VAL H 5.160 . 5.160 4.122 3.983 4.264 . 0 0 "[ . 1 . 2]" 1
47 1 11 THR MG 1 14 VAL HB 4.680 . 4.680 4.749 4.681 4.830 0.150 19 0 "[ . 1 . 2]" 1
48 1 11 THR MG 1 14 VAL MG1 2.930 . 2.930 2.555 2.236 2.812 . 0 0 "[ . 1 . 2]" 1
49 1 11 THR MG 1 14 VAL MG2 3.250 . 3.250 2.340 2.245 2.480 . 0 0 "[ . 1 . 2]" 1
50 1 11 THR MG 1 15 LEU MD1 3.270 . 3.270 2.794 2.533 3.272 0.002 11 0 "[ . 1 . 2]" 1
51 1 11 THR MG 1 15 LEU MD1 4.140 . 4.140 2.449 2.175 2.770 . 0 0 "[ . 1 . 2]" 1
52 1 11 THR MG 1 15 LEU MD2 4.220 . 4.220 3.456 3.182 4.074 . 0 0 "[ . 1 . 2]" 1
53 1 11 THR MG 1 15 LEU HG 3.630 . 3.630 2.703 2.136 3.022 . 0 0 "[ . 1 . 2]" 1
54 1 11 THR MG 1 55 LEU QD 3.980 . 3.980 2.769 2.271 3.166 . 0 0 "[ . 1 . 2]" 1
55 1 11 THR MG 1 74 ALA H 5.500 . 5.500 5.351 5.033 5.584 0.084 2 0 "[ . 1 . 2]" 1
56 1 11 THR MG 1 74 ALA HA 4.110 . 4.110 3.395 3.007 3.691 . 0 0 "[ . 1 . 2]" 1
57 1 11 THR MG 1 74 ALA MB 3.380 . 3.380 3.402 3.103 3.542 0.162 2 0 "[ . 1 . 2]" 1
58 1 11 THR MG 1 77 LEU QD 3.090 . 3.090 2.145 1.893 2.363 . 0 0 "[ . 1 . 2]" 1
59 1 11 THR MG 1 77 LEU HG 4.250 . 4.250 4.086 2.474 4.348 0.098 11 0 "[ . 1 . 2]" 1
60 1 12 GLU H 1 12 GLU HB2 3.580 . 3.580 2.494 2.342 2.606 . 0 0 "[ . 1 . 2]" 1
61 1 12 GLU H 1 12 GLU HB3 4.130 . 4.130 3.566 3.512 3.629 . 0 0 "[ . 1 . 2]" 1
62 1 12 GLU H 1 12 GLU HG2 3.810 . 3.810 3.308 1.958 3.648 . 0 0 "[ . 1 . 2]" 1
63 1 12 GLU H 1 12 GLU HG3 4.000 . 4.000 2.069 1.769 3.364 . 0 0 "[ . 1 . 2]" 1
64 1 12 GLU H 1 13 LYS H 3.870 . 3.870 2.671 2.578 2.725 . 0 0 "[ . 1 . 2]" 1
65 1 12 GLU H 1 13 LYS QB 4.960 . 4.960 4.551 4.420 4.662 . 0 0 "[ . 1 . 2]" 1
66 1 12 GLU H 1 14 VAL H 4.640 . 4.640 4.253 4.111 4.399 . 0 0 "[ . 1 . 2]" 1
67 1 12 GLU H 1 15 LEU MD1 4.460 . 4.460 3.931 3.674 4.092 . 0 0 "[ . 1 . 2]" 1
68 1 12 GLU H 1 74 ALA MB 3.830 . 3.830 3.306 3.038 3.609 . 0 0 "[ . 1 . 2]" 1
69 1 12 GLU HA 1 12 GLU HG2 4.150 . 4.150 2.636 2.493 3.011 . 0 0 "[ . 1 . 2]" 1
70 1 12 GLU HA 1 12 GLU HG3 4.220 . 4.220 2.834 2.673 3.277 . 0 0 "[ . 1 . 2]" 1
71 1 12 GLU HA 1 14 VAL H 4.820 . 4.820 4.124 3.980 4.221 . 0 0 "[ . 1 . 2]" 1
72 1 12 GLU HA 1 15 LEU H 4.450 . 4.450 3.387 3.232 3.567 . 0 0 "[ . 1 . 2]" 1
73 1 12 GLU HA 1 15 LEU HB2 4.270 . 4.270 2.708 2.445 2.963 . 0 0 "[ . 1 . 2]" 1
74 1 12 GLU HA 1 15 LEU MD1 3.630 . 3.630 2.001 1.877 2.174 . 0 0 "[ . 1 . 2]" 1
75 1 12 GLU HA 1 15 LEU MD1 4.230 . 4.230 1.995 1.874 2.166 . 0 0 "[ . 1 . 2]" 1
76 1 12 GLU HA 1 15 LEU MD2 4.460 . 4.460 4.653 4.542 4.766 0.306 2 0 "[ . 1 . 2]" 1
77 1 12 GLU HA 1 16 CYS H 4.160 . 4.160 3.917 3.649 4.176 0.016 11 0 "[ . 1 . 2]" 1
78 1 12 GLU HA 1 74 ALA MB 4.440 . 4.440 2.788 2.578 3.024 . 0 0 "[ . 1 . 2]" 1
79 1 12 GLU HB2 1 13 LYS H 3.890 . 3.890 2.794 2.698 2.945 . 0 0 "[ . 1 . 2]" 1
80 1 12 GLU HB3 1 13 LYS H 4.100 . 4.100 3.852 3.703 4.006 . 0 0 "[ . 1 . 2]" 1
81 1 12 GLU HB3 1 15 LEU MD1 4.180 . 4.180 2.222 1.959 2.523 . 0 0 "[ . 1 . 2]" 1
82 1 12 GLU HB3 1 30 VAL QG . . 3.710 2.232 1.965 2.544 . 0 0 "[ . 1 . 2]" 1
83 1 12 GLU HG2 1 74 ALA MB 3.500 . 3.500 2.293 1.979 2.960 . 0 0 "[ . 1 . 2]" 1
84 1 12 GLU HG3 1 13 LYS H 4.440 . 4.440 4.268 3.986 4.855 0.415 19 0 "[ . 1 . 2]" 1
85 1 12 GLU HG3 1 74 ALA H 5.250 . 5.250 4.453 4.220 4.744 . 0 0 "[ . 1 . 2]" 1
86 1 12 GLU HG3 1 74 ALA MB 3.420 . 3.420 2.580 2.235 3.936 0.516 19 1 "[ . 1 . +2]" 1
87 1 13 LYS H 1 13 LYS QB . . 3.150 2.199 2.104 2.291 . 0 0 "[ . 1 . 2]" 1
88 1 13 LYS H 1 13 LYS QD 3.640 . 3.640 3.603 3.462 3.721 0.081 20 0 "[ . 1 . 2]" 1
89 1 13 LYS H 1 13 LYS HG2 3.510 . 3.510 2.738 2.604 2.849 . 0 0 "[ . 1 . 2]" 1
90 1 13 LYS H 1 13 LYS HG3 4.000 . 4.000 3.982 3.831 4.122 0.122 18 0 "[ . 1 . 2]" 1
91 1 13 LYS H 1 14 VAL H 3.760 . 3.760 2.679 2.636 2.780 . 0 0 "[ . 1 . 2]" 1
92 1 13 LYS H 1 14 VAL MG1 3.930 . 3.930 3.724 3.602 3.832 . 0 0 "[ . 1 . 2]" 1
93 1 13 LYS H 1 14 VAL MG2 4.700 . 4.700 4.692 4.622 4.795 0.095 18 0 "[ . 1 . 2]" 1
94 1 13 LYS H 1 15 LEU H 4.730 . 4.730 4.158 4.061 4.267 . 0 0 "[ . 1 . 2]" 1
95 1 13 LYS H 1 15 LEU MD1 4.880 . 4.880 4.857 4.766 4.994 0.114 17 0 "[ . 1 . 2]" 1
96 1 13 LYS HA 1 13 LYS QD 4.860 . 4.860 4.037 3.949 4.167 . 0 0 "[ . 1 . 2]" 1
97 1 13 LYS HA 1 13 LYS HG3 3.980 . 3.980 3.677 3.579 3.764 . 0 0 "[ . 1 . 2]" 1
98 1 13 LYS HA 1 16 CYS H 4.100 . 4.100 3.504 3.348 3.893 . 0 0 "[ . 1 . 2]" 1
99 1 13 LYS HA 1 17 ALA H 4.400 . 4.400 4.233 4.036 4.377 . 0 0 "[ . 1 . 2]" 1
100 1 13 LYS QB 1 14 VAL H 3.570 . 3.570 3.568 3.502 3.623 0.053 19 0 "[ . 1 . 2]" 1
101 1 13 LYS QB 1 14 VAL H 3.980 . 3.980 2.733 2.323 3.211 . 0 0 "[ . 1 . 2]" 1
102 1 13 LYS QE 1 13 LYS HG3 3.590 . 3.590 2.405 2.252 2.927 . 0 0 "[ . 1 . 2]" 1
103 1 13 LYS QE 1 14 VAL H 5.500 . 5.500 4.626 4.082 5.217 . 0 0 "[ . 1 . 2]" 1
104 1 13 LYS QE 1 14 VAL HA 5.500 . 5.500 4.856 4.371 5.376 . 0 0 "[ . 1 . 2]" 1
105 1 13 LYS HG2 1 14 VAL H 3.930 . 3.930 2.343 2.242 2.459 . 0 0 "[ . 1 . 2]" 1
106 1 13 LYS HG2 1 14 VAL HB 4.680 . 4.680 4.691 4.640 4.757 0.077 20 0 "[ . 1 . 2]" 1
107 1 13 LYS HG2 1 14 VAL MG1 3.890 . 3.890 2.305 2.207 2.372 . 0 0 "[ . 1 . 2]" 1
108 1 13 LYS HG2 1 14 VAL MG2 4.190 . 4.190 4.328 4.226 4.460 0.270 20 0 "[ . 1 . 2]" 1
109 1 14 VAL H 1 14 VAL HB 3.680 . 3.680 3.676 3.632 3.707 0.027 13 0 "[ . 1 . 2]" 1
110 1 14 VAL H 1 14 VAL MG1 3.160 . 3.160 1.991 1.814 2.064 . 0 0 "[ . 1 . 2]" 1
111 1 14 VAL H 1 14 VAL MG2 3.170 . 3.170 2.675 2.598 2.734 . 0 0 "[ . 1 . 2]" 1
112 1 14 VAL H 1 15 LEU H 3.700 . 3.700 2.372 2.259 2.452 . 0 0 "[ . 1 . 2]" 1
113 1 14 VAL H 1 15 LEU HA 5.230 . 5.230 5.060 4.947 5.155 . 0 0 "[ . 1 . 2]" 1
114 1 14 VAL H 1 15 LEU HB2 4.880 . 4.880 4.469 4.376 4.578 . 0 0 "[ . 1 . 2]" 1
115 1 14 VAL H 1 15 LEU MD1 4.440 . 4.440 4.466 4.328 4.543 0.103 17 0 "[ . 1 . 2]" 1
116 1 14 VAL H 1 15 LEU HG 4.330 . 4.330 4.069 3.754 4.349 0.019 20 0 "[ . 1 . 2]" 1
117 1 14 VAL H 1 16 CYS H 4.590 . 4.590 4.018 3.829 4.248 . 0 0 "[ . 1 . 2]" 1
118 1 14 VAL H 1 17 ALA H 4.990 . 4.990 4.680 4.599 4.813 . 0 0 "[ . 1 . 2]" 1
119 1 14 VAL HA 1 14 VAL MG1 3.500 . 3.500 2.430 2.362 2.494 . 0 0 "[ . 1 . 2]" 1
120 1 14 VAL HA 1 14 VAL MG2 3.260 . 3.260 3.199 3.140 3.237 . 0 0 "[ . 1 . 2]" 1
121 1 14 VAL HA 1 14 VAL MG2 3.330 . 3.330 2.493 2.040 2.615 . 0 0 "[ . 1 . 2]" 1
122 1 14 VAL HA 1 14 VAL MG2 3.740 . 3.740 2.957 2.878 3.033 . 0 0 "[ . 1 . 2]" 1
123 1 14 VAL HA 1 16 CYS H 4.970 . 4.970 4.553 4.322 4.847 . 0 0 "[ . 1 . 2]" 1
124 1 14 VAL HA 1 17 ALA H 4.060 . 4.060 3.343 3.218 3.612 . 0 0 "[ . 1 . 2]" 1
125 1 14 VAL HA 1 17 ALA MB 3.410 . 3.410 2.749 2.601 2.858 . 0 0 "[ . 1 . 2]" 1
126 1 14 VAL HA 1 55 LEU QD 4.750 . 4.750 4.457 4.299 4.657 . 0 0 "[ . 1 . 2]" 1
127 1 14 VAL HB 1 15 LEU H 4.180 . 4.180 4.176 4.100 4.224 0.044 20 0 "[ . 1 . 2]" 1
128 1 14 VAL HB 1 55 LEU QD 3.990 . 3.990 2.337 2.156 2.608 . 0 0 "[ . 1 . 2]" 1
129 1 14 VAL HB 1 55 LEU QD 4.470 . 4.470 2.779 2.343 3.424 . 0 0 "[ . 1 . 2]" 1
130 1 14 VAL MG1 1 15 LEU H 3.750 . 3.750 3.156 3.097 3.194 . 0 0 "[ . 1 . 2]" 1
131 1 14 VAL MG1 1 15 LEU HG 4.510 . 4.510 4.296 4.147 4.481 . 0 0 "[ . 1 . 2]" 1
132 1 14 VAL MG1 1 17 ALA H 5.500 . 5.500 5.267 5.176 5.464 . 0 0 "[ . 1 . 2]" 1
133 1 14 VAL MG1 1 17 ALA MB 4.790 . 4.790 4.526 4.372 4.711 . 0 0 "[ . 1 . 2]" 1
134 1 14 VAL MG1 1 55 LEU HA 5.500 . 5.500 5.655 5.488 5.989 0.489 20 0 "[ . 1 . 2]" 1
135 1 14 VAL MG1 1 55 LEU HG 4.390 . 4.390 3.937 3.656 4.242 . 0 0 "[ . 1 . 2]" 1
136 1 14 VAL MG2 1 15 LEU H 3.720 . 3.720 2.341 2.197 2.467 . 0 0 "[ . 1 . 2]" 1
137 1 14 VAL MG2 1 15 LEU HB2 4.270 . 4.270 3.969 3.828 4.066 . 0 0 "[ . 1 . 2]" 1
138 1 14 VAL MG2 1 17 ALA H 4.930 . 4.930 4.853 4.666 4.962 0.032 9 0 "[ . 1 . 2]" 1
139 1 14 VAL MG2 1 17 ALA MB 4.890 . 4.890 4.505 4.382 4.651 . 0 0 "[ . 1 . 2]" 1
140 1 14 VAL MG2 1 18 LEU H 5.030 . 5.030 4.595 4.453 4.790 . 0 0 "[ . 1 . 2]" 1
141 1 14 VAL MG2 1 55 LEU HB2 4.570 . 4.570 4.295 3.943 4.654 0.084 14 0 "[ . 1 . 2]" 1
142 1 15 LEU H 1 15 LEU HB2 3.700 . 3.700 2.380 2.281 2.450 . 0 0 "[ . 1 . 2]" 1
143 1 15 LEU H 1 15 LEU MD1 3.390 . 3.390 3.162 3.074 3.292 . 0 0 "[ . 1 . 2]" 1
144 1 15 LEU H 1 15 LEU HG 3.550 . 3.550 2.265 2.049 2.523 . 0 0 "[ . 1 . 2]" 1
145 1 15 LEU H 1 16 CYS H 3.770 . 3.770 2.615 2.448 2.818 . 0 0 "[ . 1 . 2]" 1
146 1 15 LEU H 1 17 ALA H 4.580 . 4.580 3.965 3.711 4.133 . 0 0 "[ . 1 . 2]" 1
147 1 15 LEU HA 1 17 ALA H 4.710 . 4.710 4.207 3.904 4.408 . 0 0 "[ . 1 . 2]" 1
148 1 15 LEU HA 1 18 LEU H 3.940 . 3.940 3.358 3.195 3.554 . 0 0 "[ . 1 . 2]" 1
149 1 15 LEU HA 1 18 LEU MD2 3.820 . 3.820 3.147 2.576 3.568 . 0 0 "[ . 1 . 2]" 1
150 1 15 LEU HA 1 19 TYR QD 4.360 . 4.360 2.582 2.500 2.747 . 0 0 "[ . 1 . 2]" 1
151 1 15 LEU HB2 1 16 CYS H 3.880 . 3.880 2.506 2.389 2.606 . 0 0 "[ . 1 . 2]" 1
152 1 15 LEU HB3 1 16 CYS H 4.140 . 4.140 3.573 3.448 3.672 . 0 0 "[ . 1 . 2]" 1
153 1 15 LEU MD1 1 70 PRO HA 3.720 . 3.720 2.308 2.148 2.416 . 0 0 "[ . 1 . 2]" 1
154 1 15 LEU MD1 1 16 CYS H 4.010 . 4.010 4.166 4.077 4.273 0.263 16 0 "[ . 1 . 2]" 1
155 1 15 LEU MD1 1 74 ALA H 3.920 . 3.920 2.506 2.430 2.602 . 0 0 "[ . 1 . 2]" 1
156 1 15 LEU MD1 1 70 PRO HA 3.520 . 3.520 2.885 2.516 3.208 . 0 0 "[ . 1 . 2]" 1
157 1 15 LEU MD1 1 70 PRO HB3 3.880 . 3.880 3.250 2.861 3.586 . 0 0 "[ . 1 . 2]" 1
158 1 15 LEU MD1 1 73 VAL H 3.910 . 3.910 3.372 3.143 3.440 . 0 0 "[ . 1 . 2]" 1
159 1 15 LEU MD1 1 74 ALA HA 4.110 . 4.110 2.454 2.191 2.788 . 0 0 "[ . 1 . 2]" 1
160 1 15 LEU MD1 1 74 ALA MB 3.380 . 3.380 2.088 2.009 2.211 . 0 0 "[ . 1 . 2]" 1
161 1 15 LEU MD1 1 74 ALA H 3.410 . 3.410 2.602 2.512 2.724 . 0 0 "[ . 1 . 2]" 1
162 1 15 LEU MD2 1 70 PRO HA 3.880 . 3.880 3.488 3.304 3.681 . 0 0 "[ . 1 . 2]" 1
163 1 15 LEU MD2 1 73 VAL HB 3.670 . 3.670 2.759 2.384 3.111 . 0 0 "[ . 1 . 2]" 1
164 1 15 LEU MD2 1 74 ALA H 4.510 . 4.510 4.407 4.223 4.517 0.007 13 0 "[ . 1 . 2]" 1
165 1 15 LEU MD2 1 74 ALA HA 4.290 . 4.290 4.155 3.933 4.309 0.019 18 0 "[ . 1 . 2]" 1
166 1 15 LEU MD2 1 74 ALA MB 4.090 . 4.090 4.221 4.015 4.336 0.246 18 0 "[ . 1 . 2]" 1
167 1 15 LEU HG 1 74 ALA HA 4.720 . 4.720 2.830 2.485 3.193 . 0 0 "[ . 1 . 2]" 1
168 1 16 CYS H 1 16 CYS QB 3.320 . 3.320 2.321 2.083 2.502 . 0 0 "[ . 1 . 2]" 1
169 1 16 CYS H 1 17 ALA H 3.750 . 3.750 2.832 2.662 2.975 . 0 0 "[ . 1 . 2]" 1
170 1 16 CYS H 1 17 ALA MB 4.340 . 4.340 3.004 2.713 3.468 . 0 0 "[ . 1 . 2]" 1
171 1 16 CYS H 1 18 LEU H 4.870 . 4.870 4.358 4.140 4.725 . 0 0 "[ . 1 . 2]" 1
172 1 16 CYS H 1 70 PRO HB2 4.130 . 4.130 4.154 3.527 4.830 0.700 17 2 "[ . 1- . + 2]" 1
173 1 16 CYS QB 1 17 ALA H 3.570 . 3.570 2.682 2.516 2.988 . 0 0 "[ . 1 . 2]" 1
174 1 17 ALA H 1 17 ALA MB 2.940 . 2.940 2.227 2.195 2.306 . 0 0 "[ . 1 . 2]" 1
175 1 17 ALA H 1 18 LEU H 3.590 . 3.590 2.569 2.383 2.811 . 0 0 "[ . 1 . 2]" 1
176 1 17 ALA H 1 18 LEU HB2 4.750 . 4.750 4.147 3.797 4.529 . 0 0 "[ . 1 . 2]" 1
177 1 17 ALA H 1 18 LEU MD2 4.370 . 4.370 4.389 4.171 4.549 0.179 6 0 "[ . 1 . 2]" 1
178 1 17 ALA HA 1 18 LEU MD2 4.520 . 4.520 2.832 2.322 3.436 . 0 0 "[ . 1 . 2]" 1
179 1 17 ALA MB 1 18 LEU H 3.520 . 3.520 2.399 2.103 2.513 . 0 0 "[ . 1 . 2]" 1
180 1 17 ALA MB 1 18 LEU HB2 4.340 . 4.340 3.870 3.348 4.082 . 0 0 "[ . 1 . 2]" 1
181 1 17 ALA MB 1 18 LEU MD1 4.720 . 4.720 4.185 3.581 4.754 0.034 14 0 "[ . 1 . 2]" 1
182 1 17 ALA MB 1 21 GLU H 5.220 . 5.220 4.598 4.452 4.729 . 0 0 "[ . 1 . 2]" 1
183 1 18 LEU H 1 18 LEU HB2 3.170 . 3.170 1.902 1.767 2.060 . 0 0 "[ . 1 . 2]" 1
184 1 18 LEU H 1 18 LEU HB3 4.110 . 4.110 3.384 3.223 3.628 . 0 0 "[ . 1 . 2]" 1
185 1 18 LEU H 1 18 LEU MD1 4.150 . 4.150 3.794 3.270 4.062 . 0 0 "[ . 1 . 2]" 1
186 1 18 LEU H 1 18 LEU MD2 3.590 . 3.590 2.743 2.593 2.924 . 0 0 "[ . 1 . 2]" 1
187 1 18 LEU H 1 18 LEU HG 4.290 . 4.290 4.289 4.083 4.455 0.165 11 0 "[ . 1 . 2]" 1
188 1 18 LEU H 1 19 TYR H 3.830 . 3.830 2.719 2.635 2.768 . 0 0 "[ . 1 . 2]" 1
189 1 18 LEU HA 1 18 LEU MD1 3.230 . 3.230 1.983 1.876 2.086 . 0 0 "[ . 1 . 2]" 1
190 1 18 LEU HA 1 18 LEU MD2 3.890 . 3.890 2.845 2.325 3.466 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU HA 1 21 GLU H 3.790 . 3.790 3.549 3.364 3.797 0.007 15 0 "[ . 1 . 2]" 1
192 1 18 LEU HB2 1 19 TYR H 3.950 . 3.950 2.955 2.832 3.115 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU HB3 1 19 TYR H 4.620 . 4.620 3.229 3.033 3.439 . 0 0 "[ . 1 . 2]" 1
194 1 18 LEU MD1 1 19 TYR H 4.780 . 4.780 4.648 4.539 4.741 . 0 0 "[ . 1 . 2]" 1
195 1 18 LEU MD1 1 21 GLU H 4.810 . 4.810 4.732 4.551 4.922 0.112 14 0 "[ . 1 . 2]" 1
196 1 18 LEU MD1 1 21 GLU QB 3.840 . 3.840 2.550 2.096 2.984 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU MD1 1 50 ARG H 4.900 . 4.900 4.148 3.926 4.380 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU MD1 1 51 ILE H 4.090 . 4.090 3.869 3.294 4.221 0.131 19 0 "[ . 1 . 2]" 1
199 1 18 LEU MD1 1 54 GLU H 5.500 . 5.500 4.498 4.166 4.885 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU MD1 1 54 GLU HG3 3.810 . 3.810 2.671 2.120 3.334 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU MD2 1 19 TYR H 4.370 . 4.370 3.670 3.530 3.822 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU MD2 1 19 TYR QD 5.190 . 5.190 4.070 3.267 4.424 . 0 0 "[ . 1 . 2]" 1
203 1 18 LEU MD2 1 54 GLU HB2 3.620 . 3.620 2.289 2.033 2.669 . 0 0 "[ . 1 . 2]" 1
204 1 18 LEU MD2 1 51 ILE HA 4.340 . 4.340 3.159 2.596 3.700 . 0 0 "[ . 1 . 2]" 1
205 1 18 LEU HG 1 51 ILE H 4.400 . 4.400 3.896 3.405 4.340 . 0 0 "[ . 1 . 2]" 1
206 1 19 TYR H 1 19 TYR HB2 3.780 . 3.780 2.262 2.189 2.334 . 0 0 "[ . 1 . 2]" 1
207 1 19 TYR H 1 19 TYR HB3 4.040 . 4.040 3.547 3.496 3.597 . 0 0 "[ . 1 . 2]" 1
208 1 19 TYR H 1 19 TYR QD 3.510 . 3.510 2.456 2.306 2.545 . 0 0 "[ . 1 . 2]" 1
209 1 19 TYR H 1 20 ALA H 3.890 . 3.890 2.629 2.541 2.817 . 0 0 "[ . 1 . 2]" 1
210 1 19 TYR H 1 28 VAL QG 5.260 . 5.260 3.873 3.662 4.137 . 0 0 "[ . 1 . 2]" 1
211 1 19 TYR HA 1 22 ILE MD 3.570 . 3.570 3.444 3.258 3.619 0.049 16 0 "[ . 1 . 2]" 1
212 1 19 TYR HA 1 22 ILE MG 4.720 . 4.720 4.652 4.333 4.858 0.138 20 0 "[ . 1 . 2]" 1
213 1 19 TYR HB2 1 20 ALA H 3.840 . 3.840 2.556 2.471 2.614 . 0 0 "[ . 1 . 2]" 1
214 1 19 TYR HB3 1 20 ALA H 4.160 . 4.160 3.253 3.085 3.373 . 0 0 "[ . 1 . 2]" 1
215 1 19 TYR HB3 1 28 VAL QG 4.090 . 4.090 2.291 2.101 2.727 . 0 0 "[ . 1 . 2]" 1
216 1 19 TYR QD 1 20 ALA H 4.550 . 4.550 4.449 4.395 4.514 . 0 0 "[ . 1 . 2]" 1
217 1 19 TYR QD 1 22 ILE MD 4.490 . 4.490 2.579 2.245 3.087 . 0 0 "[ . 1 . 2]" 1
218 1 19 TYR QD 1 28 VAL QG . . 4.160 2.594 2.249 3.118 . 0 0 "[ . 1 . 2]" 1
219 1 19 TYR QD 1 34 PHE H 5.370 . 5.370 4.586 4.335 4.869 . 0 0 "[ . 1 . 2]" 1
220 1 19 TYR QD 1 34 PHE QD 4.710 . 4.710 3.075 2.799 3.264 . 0 0 "[ . 1 . 2]" 1
221 1 19 TYR QD 1 37 LEU MD1 4.210 . 4.210 2.204 2.051 2.434 . 0 0 "[ . 1 . 2]" 1
222 1 19 TYR QD 1 37 LEU QD 4.400 . 4.400 2.199 2.048 2.426 . 0 0 "[ . 1 . 2]" 1
223 1 19 TYR QD 1 47 LEU QD . . 4.380 2.271 2.090 2.411 . 0 0 "[ . 1 . 2]" 1
224 1 19 TYR QE 1 33 ALA HA 4.270 . 4.270 3.550 3.348 3.760 . 0 0 "[ . 1 . 2]" 1
225 1 19 TYR QE 1 34 PHE H 4.160 . 4.160 2.797 2.515 3.033 . 0 0 "[ . 1 . 2]" 1
226 1 19 TYR QE 1 34 PHE HA 4.340 . 4.340 3.206 2.944 3.495 . 0 0 "[ . 1 . 2]" 1
227 1 19 TYR QE 1 34 PHE HB2 4.670 . 4.670 2.751 2.523 3.122 . 0 0 "[ . 1 . 2]" 1
228 1 19 TYR QE 1 34 PHE QD 4.580 . 4.580 3.090 2.670 3.341 . 0 0 "[ . 1 . 2]" 1
229 1 19 TYR QE 1 37 LEU MD1 4.710 . 4.710 3.614 3.370 3.736 . 0 0 "[ . 1 . 2]" 1
230 1 19 TYR QE 1 47 LEU QD . . 4.160 2.164 2.045 2.371 . 0 0 "[ . 1 . 2]" 1
231 1 19 TYR QE 1 69 THR HA 4.650 . 4.650 2.960 2.661 3.240 . 0 0 "[ . 1 . 2]" 1
232 1 19 TYR QE 1 69 THR MG 5.360 . 5.360 4.629 4.456 4.812 . 0 0 "[ . 1 . 2]" 1
233 1 20 ALA H 1 20 ALA MB 3.120 . 3.120 2.222 2.198 2.245 . 0 0 "[ . 1 . 2]" 1
234 1 20 ALA H 1 21 GLU H 3.670 . 3.670 2.784 2.716 2.871 . 0 0 "[ . 1 . 2]" 1
235 1 20 ALA H 1 25 VAL MG2 4.240 . 4.240 2.554 2.116 2.824 . 0 0 "[ . 1 . 2]" 1
236 1 20 ALA H 1 25 VAL MG2 3.980 . 3.980 2.691 2.533 2.876 . 0 0 "[ . 1 . 2]" 1
237 1 20 ALA H 1 28 VAL QG 4.490 . 4.490 2.726 2.558 2.937 . 0 0 "[ . 1 . 2]" 1
238 1 20 ALA HA 1 25 VAL H 3.160 . 3.160 2.568 2.505 2.636 . 0 0 "[ . 1 . 2]" 1
239 1 20 ALA HA 1 25 VAL MG1 3.390 . 3.390 3.809 3.497 4.052 0.662 18 7 "[ . - 1 *** *+ *]" 1
240 1 20 ALA HA 1 25 VAL MG2 3.690 . 3.690 1.956 1.887 2.041 . 0 0 "[ . 1 . 2]" 1
241 1 20 ALA HA 1 25 VAL MG2 4.030 . 4.030 1.908 1.842 1.980 . 0 0 "[ . 1 . 2]" 1
242 1 20 ALA HA 1 28 VAL QG 3.790 . 3.790 2.783 2.369 3.507 . 0 0 "[ . 1 . 2]" 1
243 1 20 ALA MB 1 21 GLU H 3.430 . 3.430 2.643 2.503 2.731 . 0 0 "[ . 1 . 2]" 1
244 1 20 ALA MB 1 21 GLU HG2 4.800 . 4.800 3.030 2.317 3.347 . 0 0 "[ . 1 . 2]" 1
245 1 20 ALA MB 1 25 VAL H 4.030 . 4.030 3.377 3.179 3.651 . 0 0 "[ . 1 . 2]" 1
246 1 20 ALA MB 1 25 VAL MG1 4.210 . 4.210 4.394 4.173 4.599 0.389 18 0 "[ . 1 . 2]" 1
247 1 20 ALA MB 1 25 VAL MG1 4.020 . 4.020 3.368 2.747 3.689 . 0 0 "[ . 1 . 2]" 1
248 1 20 ALA MB 1 25 VAL MG2 3.040 . 3.040 2.004 1.908 2.126 . 0 0 "[ . 1 . 2]" 1
249 1 20 ALA MB 1 27 ARG H 4.570 . 4.570 3.769 3.499 3.927 . 0 0 "[ . 1 . 2]" 1
250 1 20 ALA MB 1 27 ARG HA 3.960 . 3.960 3.754 3.203 4.083 0.123 12 0 "[ . 1 . 2]" 1
251 1 20 ALA MB 1 27 ARG HA 4.020 . 4.020 2.804 2.147 3.385 . 0 0 "[ . 1 . 2]" 1
252 1 20 ALA MB 1 28 VAL H 3.990 . 3.990 2.584 2.275 3.308 . 0 0 "[ . 1 . 2]" 1
253 1 20 ALA MB 1 28 VAL H 4.020 . 4.020 3.782 3.466 4.078 0.058 7 0 "[ . 1 . 2]" 1
254 1 20 ALA MB 1 28 VAL QG 3.580 . 3.580 2.180 2.096 2.412 . 0 0 "[ . 1 . 2]" 1
255 1 21 GLU H 1 21 GLU QB 3.070 . 3.070 2.325 2.209 2.396 . 0 0 "[ . 1 . 2]" 1
256 1 21 GLU H 1 21 GLU HG2 4.420 . 4.420 3.257 2.352 3.765 . 0 0 "[ . 1 . 2]" 1
257 1 21 GLU H 1 21 GLU HG3 4.030 . 4.030 2.890 2.379 3.936 . 0 0 "[ . 1 . 2]" 1
258 1 21 GLU H 1 22 ILE H 3.660 . 3.660 2.701 2.610 2.844 . 0 0 "[ . 1 . 2]" 1
259 1 21 GLU H 1 22 ILE HB 4.850 . 4.850 4.868 4.784 5.049 0.199 20 0 "[ . 1 . 2]" 1
260 1 21 GLU H 1 24 GLY H 5.200 . 5.200 4.759 4.677 4.823 . 0 0 "[ . 1 . 2]" 1
261 1 21 GLU HA 1 21 GLU HG2 3.570 . 3.570 2.585 2.284 3.108 . 0 0 "[ . 1 . 2]" 1
262 1 21 GLU HA 1 21 GLU HG3 4.100 . 4.100 3.311 2.888 3.784 . 0 0 "[ . 1 . 2]" 1
263 1 21 GLU QB 1 22 ILE H 3.710 . 3.710 2.530 2.388 2.725 . 0 0 "[ . 1 . 2]" 1
264 1 21 GLU QB 1 23 LEU H 5.060 . 5.060 4.626 4.507 4.827 . 0 0 "[ . 1 . 2]" 1
265 1 21 GLU QB 1 23 LEU H 4.600 . 4.600 2.747 2.504 3.492 . 0 0 "[ . 1 . 2]" 1
266 1 22 ILE H 1 22 ILE HB 3.440 . 3.440 2.386 2.306 2.439 . 0 0 "[ . 1 . 2]" 1
267 1 22 ILE H 1 22 ILE MD 4.300 . 4.300 3.551 3.322 3.650 . 0 0 "[ . 1 . 2]" 1
268 1 22 ILE H 1 22 ILE HG12 4.120 . 4.120 3.656 3.556 3.777 . 0 0 "[ . 1 . 2]" 1
269 1 22 ILE H 1 22 ILE HG13 3.760 . 3.760 2.345 2.197 2.476 . 0 0 "[ . 1 . 2]" 1
270 1 22 ILE H 1 22 ILE MG 4.060 . 4.060 3.787 3.727 3.844 . 0 0 "[ . 1 . 2]" 1
271 1 22 ILE H 1 23 LEU H 3.750 . 3.750 2.484 2.396 2.664 . 0 0 "[ . 1 . 2]" 1
272 1 22 ILE H 1 24 GLY H 4.970 . 4.970 3.856 3.756 3.953 . 0 0 "[ . 1 . 2]" 1
273 1 22 ILE HA 1 22 ILE MD 4.060 . 4.060 3.829 3.767 3.875 . 0 0 "[ . 1 . 2]" 1
274 1 22 ILE HA 1 22 ILE HG12 4.140 . 4.140 2.483 2.388 2.549 . 0 0 "[ . 1 . 2]" 1
275 1 22 ILE HA 1 22 ILE MG 3.680 . 3.680 2.498 2.457 2.554 . 0 0 "[ . 1 . 2]" 1
276 1 22 ILE HB 1 22 ILE MD 3.230 . 3.230 2.263 2.099 2.342 . 0 0 "[ . 1 . 2]" 1
277 1 22 ILE HB 1 23 LEU H 3.910 . 3.910 2.747 2.599 2.873 . 0 0 "[ . 1 . 2]" 1
278 1 22 ILE HB 1 23 LEU MD2 4.770 . 4.770 2.581 2.433 2.991 . 0 0 "[ . 1 . 2]" 1
279 1 22 ILE HB 1 43 LEU MD2 4.500 . 4.500 4.403 4.151 5.416 0.916 7 2 "[ . + -1 . 2]" 1
280 1 22 ILE HB 1 47 LEU QD 4.050 . 4.050 3.791 3.647 4.016 . 0 0 "[ . 1 . 2]" 1
281 1 22 ILE MD 1 22 ILE MG 3.400 . 3.400 2.100 1.989 2.199 . 0 0 "[ . 1 . 2]" 1
282 1 22 ILE MD 1 23 LEU H 4.920 . 4.920 4.688 4.537 4.828 . 0 0 "[ . 1 . 2]" 1
283 1 22 ILE MD 1 43 LEU HB3 4.700 . 4.700 4.128 3.666 4.535 . 0 0 "[ . 1 . 2]" 1
284 1 22 ILE MD 1 46 ARG QB 3.840 . 3.840 2.826 2.361 3.354 . 0 0 "[ . 1 . 2]" 1
285 1 22 ILE MD 1 47 LEU HA 3.210 . 3.210 2.107 2.010 2.236 . 0 0 "[ . 1 . 2]" 1
286 1 22 ILE MD 1 47 LEU HB2 3.450 . 3.450 2.492 2.312 2.788 . 0 0 "[ . 1 . 2]" 1
287 1 22 ILE MD 1 47 LEU QD 5.060 . 5.060 2.103 2.046 2.224 . 0 0 "[ . 1 . 2]" 1
288 1 22 ILE HG12 1 47 LEU HB2 5.490 . 5.490 5.216 5.021 5.484 . 0 0 "[ . 1 . 2]" 1
289 1 22 ILE HG13 1 23 LEU H 4.780 . 4.780 4.378 4.285 4.532 . 0 0 "[ . 1 . 2]" 1
290 1 22 ILE MG 1 23 LEU H 4.300 . 4.300 3.503 3.364 3.617 . 0 0 "[ . 1 . 2]" 1
291 1 22 ILE MG 1 23 LEU HA 3.660 . 3.660 2.291 2.194 2.451 . 0 0 "[ . 1 . 2]" 1
292 1 22 ILE MG 1 23 LEU HA 4.190 . 4.190 2.990 2.743 3.131 . 0 0 "[ . 1 . 2]" 1
293 1 22 ILE MG 1 23 LEU MD2 3.720 . 3.720 2.614 2.263 4.029 0.309 20 0 "[ . 1 . 2]" 1
294 1 22 ILE MG 1 23 LEU HG 5.300 . 5.300 4.764 2.644 5.250 . 0 0 "[ . 1 . 2]" 1
295 1 22 ILE MG 1 34 PHE QE 4.560 . 4.560 3.434 3.114 3.808 . 0 0 "[ . 1 . 2]" 1
296 1 22 ILE MG 1 34 PHE HZ 4.700 . 4.700 2.561 2.176 2.979 . 0 0 "[ . 1 . 2]" 1
297 1 22 ILE MG 1 43 LEU HB3 3.940 . 3.940 2.436 2.004 2.793 . 0 0 "[ . 1 . 2]" 1
298 1 22 ILE MG 1 47 LEU H 5.080 . 5.080 4.110 3.913 4.546 . 0 0 "[ . 1 . 2]" 1
299 1 22 ILE MG 1 47 LEU HB3 5.390 . 5.390 5.092 4.685 5.400 0.010 1 0 "[ . 1 . 2]" 1
300 1 23 LEU H 1 23 LEU HB2 3.730 . 3.730 2.202 2.162 2.269 . 0 0 "[ . 1 . 2]" 1
301 1 23 LEU H 1 23 LEU HB3 3.760 . 3.760 3.511 3.472 3.619 . 0 0 "[ . 1 . 2]" 1
302 1 23 LEU H 1 23 LEU MD1 4.160 . 4.160 3.918 3.034 4.139 . 0 0 "[ . 1 . 2]" 1
303 1 23 LEU H 1 23 LEU MD2 4.190 . 4.190 2.841 2.459 4.227 0.037 20 0 "[ . 1 . 2]" 1
304 1 23 LEU H 1 23 LEU HG 4.090 . 4.090 3.902 2.898 4.116 0.026 12 0 "[ . 1 . 2]" 1
305 1 23 LEU H 1 24 GLY H 3.700 . 3.700 2.491 2.403 2.594 . 0 0 "[ . 1 . 2]" 1
306 1 23 LEU H 1 25 VAL H 5.020 . 5.020 4.139 4.034 4.347 . 0 0 "[ . 1 . 2]" 1
307 1 23 LEU H 1 25 VAL H 4.630 . 4.630 3.840 3.771 3.941 . 0 0 "[ . 1 . 2]" 1
308 1 23 LEU H 1 37 LEU MD1 4.980 . 4.980 5.002 4.733 5.236 0.256 20 0 "[ . 1 . 2]" 1
309 1 23 LEU HA 1 23 LEU MD1 4.470 . 4.470 2.371 2.037 3.755 . 0 0 "[ . 1 . 2]" 1
310 1 23 LEU HA 1 23 LEU MD2 3.570 . 3.570 2.534 2.258 2.983 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU HA 1 25 VAL H 5.500 . 5.500 5.006 4.878 5.132 . 0 0 "[ . 1 . 2]" 1
312 1 23 LEU HB2 1 23 LEU MD1 3.530 . 3.530 2.390 1.973 2.882 . 0 0 "[ . 1 . 2]" 1
313 1 23 LEU HB2 1 24 GLY H 4.570 . 4.570 3.329 3.163 3.533 . 0 0 "[ . 1 . 2]" 1
314 1 23 LEU HB2 1 25 VAL H 4.440 . 4.440 3.603 3.376 3.818 . 0 0 "[ . 1 . 2]" 1
315 1 23 LEU HB2 1 25 VAL MG1 3.650 . 3.650 2.971 2.561 3.249 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU HB2 1 25 VAL MG2 3.860 . 3.860 2.871 2.561 3.357 . 0 0 "[ . 1 . 2]" 1
317 1 23 LEU HB3 1 24 GLY H 4.860 . 4.860 3.848 3.698 4.164 . 0 0 "[ . 1 . 2]" 1
318 1 23 LEU HB3 1 25 VAL H 4.880 . 4.880 3.830 3.595 4.276 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU HB3 1 25 VAL HB 5.240 . 5.240 5.071 4.880 5.415 0.175 20 0 "[ . 1 . 2]" 1
320 1 23 LEU HB3 1 25 VAL MG1 4.010 . 4.010 2.173 2.031 2.543 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU HB3 1 37 LEU HB3 4.020 . 4.020 3.517 3.335 3.725 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU MD1 1 24 GLY H 4.330 . 4.330 3.811 3.618 3.971 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU MD1 1 37 LEU H 5.350 . 5.350 4.622 4.351 4.991 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU MD1 1 37 LEU MD1 3.590 . 3.590 3.296 1.979 3.809 0.219 12 0 "[ . 1 . 2]" 1
325 1 23 LEU MD1 1 37 LEU MD2 3.720 . 3.720 3.871 3.367 4.533 0.813 12 1 "[ . 1 + . 2]" 1
326 1 23 LEU MD1 1 43 LEU HB3 4.900 . 4.900 2.580 2.005 3.277 . 0 0 "[ . 1 . 2]" 1
327 1 23 LEU MD2 1 25 VAL MG1 5.500 . 5.500 4.377 3.510 4.727 . 0 0 "[ . 1 . 2]" 1
328 1 23 LEU MD2 1 34 PHE QE 4.650 . 4.650 2.808 2.518 3.986 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU MD2 1 34 PHE HZ 4.860 . 4.860 3.029 2.794 3.723 . 0 0 "[ . 1 . 2]" 1
330 1 23 LEU MD2 1 37 LEU HB2 4.520 . 4.520 3.397 2.901 3.619 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU MD2 1 37 LEU MD1 3.480 . 3.480 2.441 2.187 3.030 . 0 0 "[ . 1 . 2]" 1
332 1 23 LEU MD2 1 39 GLY H 4.190 . 4.190 3.946 2.950 4.257 0.067 5 0 "[ . 1 . 2]" 1
333 1 23 LEU MD2 1 39 GLY HA2 4.370 . 4.370 3.258 2.323 3.801 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU MD2 1 39 GLY HA3 4.430 . 4.430 3.083 2.595 3.335 . 0 0 "[ . 1 . 2]" 1
335 1 23 LEU MD2 1 40 SER H 5.090 . 5.090 4.444 3.944 4.910 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU MD2 1 43 LEU MD1 5.100 . 5.100 4.599 2.394 5.244 0.144 12 0 "[ . 1 . 2]" 1
337 1 23 LEU MD2 1 43 LEU MD2 3.650 . 3.650 2.702 2.249 4.467 0.817 7 2 "[ . + -1 . 2]" 1
338 1 23 LEU HG 1 39 GLY H 4.530 . 4.530 3.075 2.808 3.435 . 0 0 "[ . 1 . 2]" 1
339 1 24 GLY H 1 25 VAL H 3.370 . 3.370 2.602 2.494 2.762 . 0 0 "[ . 1 . 2]" 1
340 1 25 VAL H 1 25 VAL HB 4.020 . 4.020 3.797 3.719 3.970 . 0 0 "[ . 1 . 2]" 1
341 1 25 VAL H 1 25 VAL MG1 3.230 . 3.230 2.643 2.368 2.833 . 0 0 "[ . 1 . 2]" 1
342 1 25 VAL H 1 25 VAL MG2 3.630 . 3.630 2.110 1.909 2.397 . 0 0 "[ . 1 . 2]" 1
343 1 25 VAL H 1 27 ARG H 5.500 . 5.500 5.122 4.855 5.311 . 0 0 "[ . 1 . 2]" 1
344 1 25 VAL HA 1 25 VAL MG2 3.340 . 3.340 3.218 3.095 3.264 . 0 0 "[ . 1 . 2]" 1
345 1 25 VAL HA 1 26 GLU H 3.270 . 3.270 2.276 2.181 2.396 . 0 0 "[ . 1 . 2]" 1
346 1 25 VAL HA 1 26 GLU HB2 4.790 . 4.790 4.951 4.507 5.731 0.941 16 7 "[ -.* *1 * **+ 2]" 1
347 1 25 VAL HA 1 26 GLU HG3 5.080 . 5.080 4.581 3.766 5.782 0.702 12 2 "[ . 1 + -. 2]" 1
348 1 25 VAL HA 1 27 ARG H 4.520 . 4.520 4.058 3.836 4.301 . 0 0 "[ . 1 . 2]" 1
349 1 25 VAL HB 1 26 GLU H 3.460 . 3.460 2.472 2.269 2.714 . 0 0 "[ . 1 . 2]" 1
350 1 25 VAL HB 1 26 GLU HG3 5.180 . 5.180 4.788 3.951 5.930 0.750 20 1 "[ . 1 . +]" 1
351 1 25 VAL HB 1 27 ARG H 3.850 . 3.850 2.487 2.231 2.935 . 0 0 "[ . 1 . 2]" 1
352 1 25 VAL MG1 1 26 GLU H 4.240 . 4.240 3.614 3.368 3.949 . 0 0 "[ . 1 . 2]" 1
353 1 25 VAL MG1 1 27 ARG H 4.580 . 4.580 4.081 3.860 4.430 . 0 0 "[ . 1 . 2]" 1
354 1 25 VAL MG1 1 28 VAL QG 4.640 . 4.640 3.622 3.080 4.054 . 0 0 "[ . 1 . 2]" 1
355 1 25 VAL MG2 1 26 GLU H 3.620 . 3.620 3.482 3.162 3.613 . 0 0 "[ . 1 . 2]" 1
356 1 25 VAL MG2 1 26 GLU HB2 5.040 . 5.040 5.055 4.576 5.792 0.752 14 4 "[ -. 1 * +* 2]" 1
357 1 25 VAL MG2 1 27 ARG H 3.810 . 3.810 2.580 2.122 2.871 . 0 0 "[ . 1 . 2]" 1
358 1 26 GLU H 1 26 GLU HB2 3.440 . 3.440 2.755 2.244 3.580 0.140 16 0 "[ . 1 . 2]" 1
359 1 26 GLU H 1 26 GLU QB 3.260 . 3.260 2.363 2.219 2.627 . 0 0 "[ . 1 . 2]" 1
360 1 26 GLU H 1 26 GLU HG2 4.020 . 4.020 2.851 2.002 3.763 . 0 0 "[ . 1 . 2]" 1
361 1 26 GLU H 1 26 GLU HG3 4.180 . 4.180 2.762 2.206 3.472 . 0 0 "[ . 1 . 2]" 1
362 1 26 GLU H 1 27 ARG H 3.880 . 3.880 2.533 2.271 2.634 . 0 0 "[ . 1 . 2]" 1
363 1 26 GLU HA 1 26 GLU HG2 3.850 . 3.850 3.134 2.484 4.032 0.182 6 0 "[ . 1 . 2]" 1
364 1 26 GLU QB 1 27 ARG H . . 3.580 3.014 2.566 3.676 0.096 15 0 "[ . 1 . 2]" 1
365 1 26 GLU HG3 1 27 ARG H 4.710 . 4.710 3.899 2.396 4.999 0.289 20 0 "[ . 1 . 2]" 1
366 1 27 ARG H 1 27 ARG HB2 3.690 . 3.690 3.218 2.752 4.062 0.372 18 0 "[ . 1 . 2]" 1
367 1 27 ARG H 1 27 ARG HB3 3.740 . 3.740 3.145 2.743 3.584 . 0 0 "[ . 1 . 2]" 1
368 1 27 ARG H 1 27 ARG QG 4.870 . 4.870 4.199 3.645 4.402 . 0 0 "[ . 1 . 2]" 1
369 1 27 ARG H 1 28 VAL H 4.490 . 4.490 4.304 4.207 4.372 . 0 0 "[ . 1 . 2]" 1
370 1 27 ARG HA 1 27 ARG QD 4.800 . 4.800 3.775 2.068 4.267 . 0 0 "[ . 1 . 2]" 1
371 1 27 ARG HA 1 28 VAL H 3.090 . 3.090 2.247 2.142 2.379 . 0 0 "[ . 1 . 2]" 1
372 1 27 ARG QB 1 28 VAL H 4.190 . 4.190 3.388 2.642 3.666 . 0 0 "[ . 1 . 2]" 1
373 1 27 ARG HG2 1 28 VAL H 4.670 . 4.670 2.878 2.395 4.014 . 0 0 "[ . 1 . 2]" 1
374 1 27 ARG HG3 1 28 VAL H 4.480 . 4.480 3.433 2.328 4.446 . 0 0 "[ . 1 . 2]" 1
375 1 28 VAL H 1 28 VAL HB 3.730 . 3.730 2.821 2.582 3.337 . 0 0 "[ . 1 . 2]" 1
376 1 28 VAL H 1 28 VAL QG . . 4.060 2.762 2.346 2.953 . 0 0 "[ . 1 . 2]" 1
377 1 28 VAL HA 1 29 GLY H 3.200 . 3.200 2.257 2.160 2.410 . 0 0 "[ . 1 . 2]" 1
378 1 28 VAL HB 1 29 GLY H 4.680 . 4.680 4.215 4.093 4.331 . 0 0 "[ . 1 . 2]" 1
379 1 28 VAL QG 1 29 GLY H 3.790 . 3.790 2.530 2.278 2.757 . 0 0 "[ . 1 . 2]" 1
380 1 28 VAL QG 1 32 ASP H 4.210 . 4.210 3.492 3.399 3.656 . 0 0 "[ . 1 . 2]" 1
381 1 28 VAL QG 1 32 ASP HB2 4.550 . 4.550 2.214 2.088 2.605 . 0 0 "[ . 1 . 2]" 1
382 1 28 VAL QG 1 32 ASP H 5.500 . 5.500 3.695 3.556 3.968 . 0 0 "[ . 1 . 2]" 1
383 1 28 VAL QG 1 32 ASP HB2 3.820 . 3.820 2.225 2.093 2.630 . 0 0 "[ . 1 . 2]" 1
384 1 28 VAL QG 1 32 ASP HB3 4.700 . 4.700 2.975 2.594 3.499 . 0 0 "[ . 1 . 2]" 1
385 1 29 GLY H 1 30 VAL H 4.590 . 4.590 4.592 4.514 4.638 0.048 18 0 "[ . 1 . 2]" 1
386 1 29 GLY H 1 32 ASP H 4.700 . 4.700 3.745 3.457 3.981 . 0 0 "[ . 1 . 2]" 1
387 1 29 GLY H 1 32 ASP HB2 4.540 . 4.540 2.737 2.504 2.980 . 0 0 "[ . 1 . 2]" 1
388 1 29 GLY H 1 32 ASP HB3 4.500 . 4.500 3.777 3.499 4.097 . 0 0 "[ . 1 . 2]" 1
389 1 29 GLY HA2 1 30 VAL H 3.310 . 3.310 2.426 2.314 2.521 . 0 0 "[ . 1 . 2]" 1
390 1 29 GLY HA2 1 31 ASP H 4.560 . 4.560 3.975 3.789 4.228 . 0 0 "[ . 1 . 2]" 1
391 1 29 GLY HA3 1 30 VAL H 3.450 . 3.450 2.834 2.648 3.013 . 0 0 "[ . 1 . 2]" 1
392 1 29 GLY HA3 1 31 ASP H 4.420 . 4.420 3.062 2.834 3.396 . 0 0 "[ . 1 . 2]" 1
393 1 29 GLY HA3 1 32 ASP H 4.710 . 4.710 3.552 3.248 3.773 . 0 0 "[ . 1 . 2]" 1
394 1 30 VAL H 1 30 VAL HB 3.840 . 3.840 3.455 2.300 3.708 . 0 0 "[ . 1 . 2]" 1
395 1 30 VAL H 1 30 VAL QG 2.980 . 2.980 1.942 1.724 2.580 . 0 0 "[ . 1 . 2]" 1
396 1 30 VAL H 1 30 VAL QG 3.200 . 3.200 1.902 1.711 2.412 . 0 0 "[ . 1 . 2]" 1
397 1 30 VAL H 1 32 ASP H 4.690 . 4.690 4.126 3.833 4.277 . 0 0 "[ . 1 . 2]" 1
398 1 30 VAL H 1 71 ALA MB 5.500 . 5.500 5.228 4.977 5.495 . 0 0 "[ . 1 . 2]" 1
399 1 30 VAL HA 1 32 ASP H 3.990 . 3.990 3.459 3.310 3.637 . 0 0 "[ . 1 . 2]" 1
400 1 30 VAL HA 1 70 PRO HB2 4.160 . 4.160 2.553 2.195 3.850 . 0 0 "[ . 1 . 2]" 1
401 1 30 VAL HA 1 71 ALA H 3.980 . 3.980 3.357 3.137 3.579 . 0 0 "[ . 1 . 2]" 1
402 1 30 VAL HB 1 71 ALA H 3.960 . 3.960 3.038 2.274 3.686 . 0 0 "[ . 1 . 2]" 1
403 1 30 VAL HB 1 71 ALA MB 3.470 . 3.470 2.434 2.047 3.824 0.354 11 0 "[ . 1 . 2]" 1
404 1 30 VAL HB 1 71 ALA MB 4.440 . 4.440 2.492 2.048 4.479 0.039 12 0 "[ . 1 . 2]" 1
405 1 30 VAL QG 1 31 ASP H 3.430 . 3.430 2.871 2.644 3.549 0.119 15 0 "[ . 1 . 2]" 1
406 1 30 VAL QG 1 69 THR HB 5.500 . 5.500 4.688 4.229 4.932 . 0 0 "[ . 1 . 2]" 1
407 1 30 VAL QG 1 71 ALA H . . 3.810 3.480 2.356 3.981 0.171 20 0 "[ . 1 . 2]" 1
408 1 30 VAL QG 1 71 ALA MB 3.230 . 3.230 2.598 1.779 2.993 . 0 0 "[ . 1 . 2]" 1
409 1 31 ASP H 1 31 ASP HB2 3.720 . 3.720 2.894 2.320 3.697 . 0 0 "[ . 1 . 2]" 1
410 1 31 ASP H 1 31 ASP HB3 3.460 . 3.460 3.045 2.705 3.643 0.183 17 0 "[ . 1 . 2]" 1
411 1 31 ASP H 1 32 ASP H 3.320 . 3.320 2.233 2.096 2.382 . 0 0 "[ . 1 . 2]" 1
412 1 31 ASP H 1 69 THR MG 4.760 . 4.760 4.767 4.689 4.866 0.106 2 0 "[ . 1 . 2]" 1
413 1 31 ASP HA 1 69 THR HB 3.990 . 3.990 2.598 1.957 3.286 . 0 0 "[ . 1 . 2]" 1
414 1 31 ASP HA 1 69 THR MG 3.900 . 3.900 2.619 2.413 2.840 . 0 0 "[ . 1 . 2]" 1
415 1 31 ASP HA 1 71 ALA H 5.170 . 5.170 4.186 3.497 4.721 . 0 0 "[ . 1 . 2]" 1
416 1 32 ASP H 1 32 ASP HB2 3.380 . 3.380 2.381 2.213 2.505 . 0 0 "[ . 1 . 2]" 1
417 1 32 ASP H 1 32 ASP HB3 3.740 . 3.740 3.589 3.477 3.662 . 0 0 "[ . 1 . 2]" 1
418 1 32 ASP H 1 33 ALA H 4.650 . 4.650 4.486 4.398 4.533 . 0 0 "[ . 1 . 2]" 1
419 1 32 ASP H 1 33 ALA HA 5.310 . 5.310 5.201 5.003 5.354 0.044 19 0 "[ . 1 . 2]" 1
420 1 32 ASP H 1 33 ALA MB 5.500 . 5.500 5.568 5.499 5.616 0.116 8 0 "[ . 1 . 2]" 1
421 1 32 ASP H 1 37 LEU QD 5.500 . 5.500 4.681 4.398 4.847 . 0 0 "[ . 1 . 2]" 1
422 1 32 ASP H 1 69 THR HB 4.620 . 4.620 3.976 3.596 4.354 . 0 0 "[ . 1 . 2]" 1
423 1 32 ASP H 1 69 THR MG 3.860 . 3.860 3.855 3.584 3.932 0.072 19 0 "[ . 1 . 2]" 1
424 1 32 ASP H 1 70 PRO HD3 4.320 . 4.320 4.076 3.883 4.244 . 0 0 "[ . 1 . 2]" 1
425 1 32 ASP HA 1 33 ALA H 3.070 . 3.070 2.141 2.055 2.210 . 0 0 "[ . 1 . 2]" 1
426 1 32 ASP HA 1 36 ASP H 5.500 . 5.500 5.507 5.324 5.657 0.157 18 0 "[ . 1 . 2]" 1
427 1 32 ASP HB2 1 33 ALA H 4.550 . 4.550 4.338 4.260 4.445 . 0 0 "[ . 1 . 2]" 1
428 1 32 ASP HB2 1 37 LEU MD1 4.500 . 4.500 3.170 2.800 3.456 . 0 0 "[ . 1 . 2]" 1
429 1 32 ASP HB3 1 33 ALA H 4.180 . 4.180 3.443 3.256 3.641 . 0 0 "[ . 1 . 2]" 1
430 1 32 ASP HB3 1 37 LEU MD1 4.280 . 4.280 2.844 2.284 3.353 . 0 0 "[ . 1 . 2]" 1
431 1 32 ASP HB3 1 37 LEU QD 4.290 . 4.290 2.408 2.037 2.713 . 0 0 "[ . 1 . 2]" 1
432 1 33 ALA H 1 33 ALA MB 3.350 . 3.350 2.232 2.163 2.286 . 0 0 "[ . 1 . 2]" 1
433 1 33 ALA H 1 36 ASP QB 4.440 . 4.440 2.542 2.240 2.864 . 0 0 "[ . 1 . 2]" 1
434 1 33 ALA H 1 37 LEU QD 4.600 . 4.600 4.502 4.177 4.683 0.083 14 0 "[ . 1 . 2]" 1
435 1 33 ALA H 1 69 THR MG 4.130 . 4.130 3.151 3.019 3.275 . 0 0 "[ . 1 . 2]" 1
436 1 33 ALA HA 1 69 THR H 4.110 . 4.110 3.987 3.812 4.130 0.020 17 0 "[ . 1 . 2]" 1
437 1 33 ALA HA 1 69 THR HA 3.600 . 3.600 2.450 2.312 2.634 . 0 0 "[ . 1 . 2]" 1
438 1 33 ALA HA 1 70 PRO HD3 4.290 . 4.290 4.000 3.785 4.359 0.069 12 0 "[ . 1 . 2]" 1
439 1 33 ALA MB 1 34 PHE H 4.380 . 4.380 2.830 2.690 2.986 . 0 0 "[ . 1 . 2]" 1
440 1 33 ALA MB 1 36 ASP H 4.260 . 4.260 2.296 2.106 2.540 . 0 0 "[ . 1 . 2]" 1
441 1 33 ALA MB 1 36 ASP QB 4.760 . 4.760 2.358 1.981 3.057 . 0 0 "[ . 1 . 2]" 1
442 1 33 ALA MB 1 68 PRO HB3 5.500 . 5.500 3.608 3.385 3.750 . 0 0 "[ . 1 . 2]" 1
443 1 33 ALA MB 1 69 THR H 4.470 . 4.470 4.356 4.107 4.565 0.095 7 0 "[ . 1 . 2]" 1
444 1 33 ALA MB 1 69 THR HA 4.710 . 4.710 3.982 3.827 4.185 . 0 0 "[ . 1 . 2]" 1
445 1 33 ALA MB 1 69 THR MG 3.990 . 3.990 2.553 2.414 2.691 . 0 0 "[ . 1 . 2]" 1
446 1 34 PHE H 1 34 PHE HB2 4.040 . 4.040 2.260 2.092 2.340 . 0 0 "[ . 1 . 2]" 1
447 1 34 PHE H 1 34 PHE HB3 4.060 . 4.060 2.714 2.609 2.938 . 0 0 "[ . 1 . 2]" 1
448 1 34 PHE H 1 34 PHE QD 4.670 . 4.670 4.063 3.750 4.147 . 0 0 "[ . 1 . 2]" 1
449 1 34 PHE H 1 36 ASP H 4.380 . 4.380 2.569 2.442 2.709 . 0 0 "[ . 1 . 2]" 1
450 1 34 PHE H 1 68 PRO HB2 4.220 . 4.220 2.531 2.166 3.192 . 0 0 "[ . 1 . 2]" 1
451 1 34 PHE HA 1 34 PHE QD 4.000 . 4.000 2.819 2.559 2.918 . 0 0 "[ . 1 . 2]" 1
452 1 34 PHE HB2 1 47 LEU QD 5.200 . 5.200 3.854 3.415 4.454 . 0 0 "[ . 1 . 2]" 1
453 1 34 PHE HB3 1 44 ALA MB 5.050 . 5.050 4.407 3.979 4.695 . 0 0 "[ . 1 . 2]" 1
454 1 34 PHE QD 1 47 LEU QD 5.310 . 5.310 2.846 2.503 3.569 . 0 0 "[ . 1 . 2]" 1
455 1 34 PHE QE 1 43 LEU HB3 4.310 . 4.310 2.490 2.304 2.820 . 0 0 "[ . 1 . 2]" 1
456 1 34 PHE QE 1 44 ALA H 4.040 . 4.040 2.819 2.614 3.023 . 0 0 "[ . 1 . 2]" 1
457 1 34 PHE QE 1 44 ALA MB 4.300 . 4.300 2.812 2.491 3.090 . 0 0 "[ . 1 . 2]" 1
458 1 34 PHE QE 1 47 LEU QD 4.460 . 4.460 2.433 2.206 3.086 . 0 0 "[ . 1 . 2]" 1
459 1 34 PHE HZ 1 44 ALA MB 4.690 . 4.690 3.833 3.545 3.975 . 0 0 "[ . 1 . 2]" 1
460 1 34 PHE HZ 1 44 ALA H 4.470 . 4.470 3.981 3.650 4.320 . 0 0 "[ . 1 . 2]" 1
461 1 34 PHE HZ 1 44 ALA MB 4.710 . 4.710 4.161 3.867 4.467 . 0 0 "[ . 1 . 2]" 1
462 1 35 HIS HD2 1 39 GLY H 4.950 . 4.950 3.549 3.249 3.912 . 0 0 "[ . 1 . 2]" 1
463 1 36 ASP H 1 36 ASP QB 3.570 . 3.570 2.275 2.170 2.446 . 0 0 "[ . 1 . 2]" 1
464 1 36 ASP H 1 37 LEU H 3.670 . 3.670 2.376 2.239 2.498 . 0 0 "[ . 1 . 2]" 1
465 1 36 ASP HA 1 37 LEU HA 4.820 . 4.820 4.782 4.735 4.814 . 0 0 "[ . 1 . 2]" 1
466 1 36 ASP QB 1 37 LEU H 3.920 . 3.920 2.701 2.596 2.898 . 0 0 "[ . 1 . 2]" 1
467 1 37 LEU H 1 37 LEU HB2 3.570 . 3.570 2.404 2.357 2.469 . 0 0 "[ . 1 . 2]" 1
468 1 37 LEU H 1 37 LEU HB3 3.800 . 3.800 3.573 3.530 3.623 . 0 0 "[ . 1 . 2]" 1
469 1 37 LEU H 1 37 LEU MD1 4.140 . 4.140 3.446 3.301 3.613 . 0 0 "[ . 1 . 2]" 1
470 1 37 LEU H 1 37 LEU QD 3.910 . 3.910 3.138 3.037 3.225 . 0 0 "[ . 1 . 2]" 1
471 1 37 LEU H 1 37 LEU MD2 4.510 . 4.510 3.618 3.437 3.773 . 0 0 "[ . 1 . 2]" 1
472 1 37 LEU H 1 37 LEU HG 3.490 . 3.490 2.373 2.194 2.513 . 0 0 "[ . 1 . 2]" 1
473 1 37 LEU H 1 38 GLY H 4.150 . 4.150 2.700 2.540 2.791 . 0 0 "[ . 1 . 2]" 1
474 1 37 LEU H 1 39 GLY H 5.140 . 5.140 3.629 3.306 3.972 . 0 0 "[ . 1 . 2]" 1
475 1 37 LEU HA 1 37 LEU MD2 3.580 . 3.580 2.238 2.152 2.342 . 0 0 "[ . 1 . 2]" 1
476 1 38 GLY H 1 39 GLY H 3.970 . 3.970 2.478 2.332 2.671 . 0 0 "[ . 1 . 2]" 1
477 1 39 GLY H 1 40 SER H 4.710 . 4.710 4.631 4.557 4.693 . 0 0 "[ . 1 . 2]" 1
478 1 39 GLY HA2 1 43 LEU MD2 4.460 . 4.460 2.681 2.250 4.844 0.384 7 0 "[ . 1 . 2]" 1
479 1 40 SER H 1 43 LEU H 4.610 . 4.610 3.434 3.155 3.622 . 0 0 "[ . 1 . 2]" 1
480 1 40 SER H 1 43 LEU HA 5.180 . 5.180 5.053 4.915 5.201 0.021 1 0 "[ . 1 . 2]" 1
481 1 40 SER H 1 43 LEU MD1 3.640 . 3.640 2.994 2.117 3.589 . 0 0 "[ . 1 . 2]" 1
482 1 40 SER H 1 43 LEU MD2 3.970 . 3.970 2.635 2.168 3.839 . 0 0 "[ . 1 . 2]" 1
483 1 40 SER H 1 44 ALA H 4.490 . 4.490 3.938 3.530 4.364 . 0 0 "[ . 1 . 2]" 1
484 1 40 SER H 1 44 ALA MB 4.930 . 4.930 4.573 3.773 5.063 0.133 7 0 "[ . 1 . 2]" 1
485 1 40 SER QB 1 43 LEU MD1 4.410 . 4.410 2.331 2.003 3.599 . 0 0 "[ . 1 . 2]" 1
486 1 40 SER QB 1 44 ALA H 4.710 . 4.710 4.217 3.612 4.583 . 0 0 "[ . 1 . 2]" 1
487 1 43 LEU H 1 43 LEU HB2 3.430 . 3.430 2.219 2.007 2.346 . 0 0 "[ . 1 . 2]" 1
488 1 43 LEU H 1 43 LEU MD1 3.970 . 3.970 2.579 2.248 3.868 . 0 0 "[ . 1 . 2]" 1
489 1 43 LEU H 1 44 ALA H 3.790 . 3.790 2.503 2.312 2.649 . 0 0 "[ . 1 . 2]" 1
490 1 43 LEU HA 1 43 LEU MD1 3.290 . 3.290 2.803 2.517 3.854 0.564 7 2 "[ . + -1 . 2]" 1
491 1 43 LEU HA 1 43 LEU HG 3.690 . 3.690 2.532 2.306 3.263 . 0 0 "[ . 1 . 2]" 1
492 1 44 ALA H 1 44 ALA MB 3.220 . 3.220 2.232 2.192 2.275 . 0 0 "[ . 1 . 2]" 1
493 1 44 ALA H 1 45 MET H 3.930 . 3.930 2.756 2.630 3.055 . 0 0 "[ . 1 . 2]" 1
494 1 44 ALA HA 1 47 LEU H 4.150 . 4.150 3.192 2.999 3.337 . 0 0 "[ . 1 . 2]" 1
495 1 44 ALA HA 1 47 LEU HB2 4.650 . 4.650 2.919 2.727 3.120 . 0 0 "[ . 1 . 2]" 1
496 1 44 ALA HA 1 47 LEU QD 4.150 . 4.150 3.071 2.643 3.460 . 0 0 "[ . 1 . 2]" 1
497 1 44 ALA HA 1 47 LEU QD 4.660 . 4.660 2.890 2.538 3.240 . 0 0 "[ . 1 . 2]" 1
498 1 44 ALA HA 1 64 LEU QD 4.250 . 4.250 2.784 2.395 2.973 . 0 0 "[ . 1 . 2]" 1
499 1 44 ALA MB 1 45 MET H 3.590 . 3.590 2.678 2.566 2.815 . 0 0 "[ . 1 . 2]" 1
500 1 44 ALA MB 1 46 ARG H 4.790 . 4.790 4.520 4.453 4.635 . 0 0 "[ . 1 . 2]" 1
501 1 44 ALA MB 1 48 ILE MD 4.140 . 4.140 3.485 2.517 3.940 . 0 0 "[ . 1 . 2]" 1
502 1 44 ALA MB 1 64 LEU QD 4.210 . 4.210 2.363 2.075 3.224 . 0 0 "[ . 1 . 2]" 1
503 1 44 ALA MB 1 61 ILE MD 4.270 . 4.270 2.575 2.087 4.546 0.276 16 0 "[ . 1 . 2]" 1
504 1 44 ALA MB 1 64 LEU QD 3.800 . 3.800 2.516 2.131 3.310 . 0 0 "[ . 1 . 2]" 1
505 1 44 ALA MB 1 65 PHE QD 5.250 . 5.250 4.941 4.401 5.414 0.164 10 0 "[ . 1 . 2]" 1
506 1 44 ALA MB 1 65 PHE QE 4.500 . 4.500 4.002 3.174 4.570 0.070 10 0 "[ . 1 . 2]" 1
507 1 45 MET H 1 45 MET HB2 3.630 . 3.630 2.458 2.368 2.568 . 0 0 "[ . 1 . 2]" 1
508 1 45 MET H 1 45 MET HB3 3.500 . 3.500 3.614 3.562 3.685 0.185 20 0 "[ . 1 . 2]" 1
509 1 45 MET H 1 45 MET HG2 3.420 . 3.420 3.139 2.341 3.651 0.231 20 0 "[ . 1 . 2]" 1
510 1 45 MET H 1 45 MET HG3 3.840 . 3.840 2.819 2.118 3.764 . 0 0 "[ . 1 . 2]" 1
511 1 45 MET H 1 46 ARG H 3.630 . 3.630 2.634 2.500 2.747 . 0 0 "[ . 1 . 2]" 1
512 1 45 MET H 1 47 LEU H 4.860 . 4.860 4.015 3.888 4.155 . 0 0 "[ . 1 . 2]" 1
513 1 45 MET H 1 48 ILE MD 4.940 . 4.940 4.753 4.540 5.115 0.175 9 0 "[ . 1 . 2]" 1
514 1 45 MET H 1 48 ILE HG13 4.780 . 4.780 4.896 4.796 5.598 0.818 9 1 "[ . +1 . 2]" 1
515 1 45 MET HA 1 45 MET HG2 4.060 . 4.060 2.701 2.421 3.129 . 0 0 "[ . 1 . 2]" 1
516 1 45 MET HA 1 45 MET HG3 4.050 . 4.050 3.313 2.950 3.799 . 0 0 "[ . 1 . 2]" 1
517 1 45 MET HA 1 48 ILE H 4.190 . 4.190 3.259 3.101 3.400 . 0 0 "[ . 1 . 2]" 1
518 1 45 MET HA 1 48 ILE HB 4.210 . 4.210 3.440 3.168 3.993 . 0 0 "[ . 1 . 2]" 1
519 1 45 MET HA 1 48 ILE HB 4.140 . 4.140 3.263 3.071 3.594 . 0 0 "[ . 1 . 2]" 1
520 1 45 MET HA 1 48 ILE MD 3.920 . 3.920 2.580 2.257 3.515 . 0 0 "[ . 1 . 2]" 1
521 1 45 MET HA 1 48 ILE HG12 4.820 . 4.820 3.975 2.223 4.522 . 0 0 "[ . 1 . 2]" 1
522 1 45 MET HA 1 48 ILE MG 4.290 . 4.290 3.426 3.204 3.721 . 0 0 "[ . 1 . 2]" 1
523 1 45 MET HA 1 61 ILE MD 4.160 . 4.160 3.256 2.362 4.026 . 0 0 "[ . 1 . 2]" 1
524 1 45 MET HB2 1 46 ARG H 3.840 . 3.840 2.788 2.634 2.887 . 0 0 "[ . 1 . 2]" 1
525 1 45 MET HB3 1 46 ARG H 3.910 . 3.910 3.743 3.594 3.836 . 0 0 "[ . 1 . 2]" 1
526 1 45 MET HG2 1 61 ILE MD 4.400 . 4.400 3.168 2.200 4.262 . 0 0 "[ . 1 . 2]" 1
527 1 46 ARG H 1 46 ARG QB 3.190 . 3.190 2.430 2.331 2.588 . 0 0 "[ . 1 . 2]" 1
528 1 46 ARG H 1 46 ARG HG2 3.770 . 3.770 2.894 2.159 3.847 0.077 16 0 "[ . 1 . 2]" 1
529 1 46 ARG H 1 46 ARG HG3 4.010 . 4.010 3.231 2.333 3.795 . 0 0 "[ . 1 . 2]" 1
530 1 46 ARG H 1 47 LEU H 3.650 . 3.650 2.507 2.423 2.623 . 0 0 "[ . 1 . 2]" 1
531 1 46 ARG HA 1 46 ARG HD3 4.500 . 4.500 3.295 2.130 4.678 0.178 3 0 "[ . 1 . 2]" 1
532 1 46 ARG HA 1 46 ARG HG2 4.080 . 4.080 2.839 2.375 3.339 . 0 0 "[ . 1 . 2]" 1
533 1 46 ARG QB 1 47 LEU H 3.620 . 3.620 2.704 2.557 2.821 . 0 0 "[ . 1 . 2]" 1
534 1 47 LEU H 1 47 LEU HB2 3.590 . 3.590 2.467 2.390 2.568 . 0 0 "[ . 1 . 2]" 1
535 1 47 LEU H 1 47 LEU HB3 3.770 . 3.770 2.461 2.327 2.559 . 0 0 "[ . 1 . 2]" 1
536 1 47 LEU H 1 47 LEU QD 4.450 . 4.450 3.699 3.601 3.741 . 0 0 "[ . 1 . 2]" 1
537 1 47 LEU H 1 47 LEU HG 4.740 . 4.740 4.469 4.422 4.516 . 0 0 "[ . 1 . 2]" 1
538 1 47 LEU H 1 48 ILE H 4.110 . 4.110 2.766 2.678 2.864 . 0 0 "[ . 1 . 2]" 1
539 1 47 LEU HA 1 47 LEU QD 3.470 . 3.470 2.248 2.154 2.501 . 0 0 "[ . 1 . 2]" 1
540 1 47 LEU HA 1 50 ARG H 4.630 . 4.630 3.470 3.247 3.626 . 0 0 "[ . 1 . 2]" 1
541 1 47 LEU HB2 1 48 ILE H 4.210 . 4.210 3.920 3.811 3.983 . 0 0 "[ . 1 . 2]" 1
542 1 47 LEU HB3 1 48 ILE H 3.890 . 3.890 2.621 2.377 2.742 . 0 0 "[ . 1 . 2]" 1
543 1 47 LEU QD 1 51 ILE MD 4.780 . 4.780 2.011 1.725 2.161 . 0 0 "[ . 1 . 2]" 1
544 1 47 LEU QD 1 48 ILE H 4.800 . 4.800 3.372 3.006 3.685 . 0 0 "[ . 1 . 2]" 1
545 1 47 LEU QD 1 51 ILE MD 4.060 . 4.060 2.249 1.831 2.509 . 0 0 "[ . 1 . 2]" 1
546 1 47 LEU QD 1 64 LEU QD 3.980 . 3.980 2.031 1.917 2.209 . 0 0 "[ . 1 . 2]" 1
547 1 47 LEU QD 1 73 VAL MG2 4.400 . 4.400 2.484 2.150 2.841 . 0 0 "[ . 1 . 2]" 1
548 1 47 LEU HG 1 64 LEU QD 4.120 . 4.120 2.343 2.193 2.836 . 0 0 "[ . 1 . 2]" 1
549 1 47 LEU HG 1 51 ILE MD 3.830 . 3.830 2.441 2.073 4.013 0.183 2 0 "[ . 1 . 2]" 1
550 1 47 LEU HG 1 51 ILE MD 4.630 . 4.630 2.393 2.044 3.909 . 0 0 "[ . 1 . 2]" 1
551 1 48 ILE H 1 48 ILE HB 3.350 . 3.350 2.678 2.582 2.793 . 0 0 "[ . 1 . 2]" 1
552 1 48 ILE H 1 48 ILE MD 4.010 . 4.010 3.556 2.852 3.673 . 0 0 "[ . 1 . 2]" 1
553 1 48 ILE H 1 48 ILE HG12 3.640 . 3.640 3.156 1.974 3.453 . 0 0 "[ . 1 . 2]" 1
554 1 48 ILE H 1 48 ILE HG13 3.880 . 3.880 2.082 1.831 3.557 . 0 0 "[ . 1 . 2]" 1
555 1 48 ILE H 1 48 ILE MG 3.890 . 3.890 3.840 3.764 3.915 0.025 18 0 "[ . 1 . 2]" 1
556 1 48 ILE H 1 49 ALA H 3.710 . 3.710 2.699 2.631 2.738 . 0 0 "[ . 1 . 2]" 1
557 1 48 ILE H 1 49 ALA MB 4.290 . 4.290 4.346 4.313 4.398 0.108 17 0 "[ . 1 . 2]" 1
558 1 48 ILE H 1 50 ARG H 4.760 . 4.760 4.258 4.131 4.384 . 0 0 "[ . 1 . 2]" 1
559 1 48 ILE HA 1 48 ILE MD 3.920 . 3.920 3.826 2.183 3.961 0.041 20 0 "[ . 1 . 2]" 1
560 1 48 ILE HA 1 51 ILE H 4.360 . 4.360 3.681 3.511 3.850 . 0 0 "[ . 1 . 2]" 1
561 1 48 ILE HA 1 51 ILE MD 3.940 . 3.940 2.842 2.408 3.315 . 0 0 "[ . 1 . 2]" 1
562 1 48 ILE HA 1 52 ARG H 4.740 . 4.740 4.225 4.009 4.385 . 0 0 "[ . 1 . 2]" 1
563 1 48 ILE HB 1 48 ILE MD 3.720 . 3.720 2.482 2.318 3.302 . 0 0 "[ . 1 . 2]" 1
564 1 48 ILE HB 1 49 ALA H 3.500 . 3.500 2.508 2.336 2.613 . 0 0 "[ . 1 . 2]" 1
565 1 48 ILE MD 1 48 ILE MG 3.280 . 3.280 2.097 2.042 2.150 . 0 0 "[ . 1 . 2]" 1
566 1 48 ILE MD 1 48 ILE MG 3.810 . 3.810 2.082 2.009 2.139 . 0 0 "[ . 1 . 2]" 1
567 1 48 ILE MD 1 49 ALA H 4.700 . 4.700 4.489 4.289 4.635 . 0 0 "[ . 1 . 2]" 1
568 1 48 ILE MD 1 61 ILE H 4.410 . 4.410 3.011 2.675 3.524 . 0 0 "[ . 1 . 2]" 1
569 1 48 ILE MD 1 61 ILE HA 3.560 . 3.560 2.677 2.327 3.069 . 0 0 "[ . 1 . 2]" 1
570 1 48 ILE MD 1 61 ILE HB 4.250 . 4.250 2.803 2.181 4.220 . 0 0 "[ . 1 . 2]" 1
571 1 48 ILE MD 1 61 ILE MD 3.720 . 3.720 2.295 2.066 3.230 . 0 0 "[ . 1 . 2]" 1
572 1 48 ILE MD 1 64 LEU QD . . 4.030 2.606 2.096 2.950 . 0 0 "[ . 1 . 2]" 1
573 1 48 ILE HG12 1 49 ALA H 4.940 . 4.940 4.820 3.789 4.946 0.006 8 0 "[ . 1 . 2]" 1
574 1 48 ILE MG 1 49 ALA H 4.160 . 4.160 3.541 3.365 3.768 . 0 0 "[ . 1 . 2]" 1
575 1 48 ILE MG 1 51 ILE MD 5.010 . 5.010 4.194 3.746 4.736 . 0 0 "[ . 1 . 2]" 1
576 1 48 ILE MG 1 59 LEU H 4.430 . 4.430 2.484 1.962 3.585 . 0 0 "[ . 1 . 2]" 1
577 1 48 ILE MG 1 61 ILE H 5.140 . 5.140 3.776 1.910 4.256 . 0 0 "[ . 1 . 2]" 1
578 1 49 ALA H 1 49 ALA MB 2.890 . 2.890 2.220 2.180 2.265 . 0 0 "[ . 1 . 2]" 1
579 1 49 ALA H 1 50 ARG H 3.660 . 3.660 2.786 2.651 2.921 . 0 0 "[ . 1 . 2]" 1
580 1 49 ALA H 1 51 ILE H 5.010 . 5.010 4.249 4.128 4.368 . 0 0 "[ . 1 . 2]" 1
581 1 49 ALA HA 1 52 ARG H 4.130 . 4.130 3.441 3.308 3.628 . 0 0 "[ . 1 . 2]" 1
582 1 49 ALA MB 1 50 ARG H 3.390 . 3.390 2.525 2.370 2.708 . 0 0 "[ . 1 . 2]" 1
583 1 49 ALA MB 1 50 ARG HD3 5.480 . 5.480 5.018 4.207 5.777 0.297 11 0 "[ . 1 . 2]" 1
584 1 49 ALA MB 1 50 ARG HG2 3.610 . 3.610 3.312 3.064 3.621 0.011 13 0 "[ . 1 . 2]" 1
585 1 49 ALA MB 1 51 ILE H 4.750 . 4.750 4.566 4.484 4.687 . 0 0 "[ . 1 . 2]" 1
586 1 50 ARG H 1 50 ARG HB2 3.420 . 3.420 2.409 2.333 2.566 . 0 0 "[ . 1 . 2]" 1
587 1 50 ARG H 1 50 ARG HB3 3.770 . 3.770 3.607 3.586 3.654 . 0 0 "[ . 1 . 2]" 1
588 1 50 ARG H 1 50 ARG HD2 4.880 . 4.880 4.348 3.673 5.011 0.131 19 0 "[ . 1 . 2]" 1
589 1 50 ARG H 1 50 ARG HD3 5.020 . 5.020 4.701 3.880 4.922 . 0 0 "[ . 1 . 2]" 1
590 1 50 ARG H 1 50 ARG HG2 4.360 . 4.360 2.467 2.174 2.598 . 0 0 "[ . 1 . 2]" 1
591 1 50 ARG H 1 50 ARG HG3 4.550 . 4.550 3.561 3.183 3.788 . 0 0 "[ . 1 . 2]" 1
592 1 50 ARG H 1 51 ILE H 3.900 . 3.900 2.671 2.581 2.759 . 0 0 "[ . 1 . 2]" 1
593 1 50 ARG H 1 52 ARG H 4.080 . 4.080 4.063 3.962 4.121 0.041 18 0 "[ . 1 . 2]" 1
594 1 50 ARG H 1 53 GLU H 5.110 . 5.110 4.788 4.651 5.018 . 0 0 "[ . 1 . 2]" 1
595 1 50 ARG HA 1 50 ARG HD2 4.330 . 4.330 2.720 2.118 4.177 . 0 0 "[ . 1 . 2]" 1
596 1 50 ARG HA 1 50 ARG HD3 4.430 . 4.430 3.541 2.157 3.888 . 0 0 "[ . 1 . 2]" 1
597 1 50 ARG HA 1 50 ARG HG2 3.520 . 3.520 2.860 2.508 3.182 . 0 0 "[ . 1 . 2]" 1
598 1 50 ARG HA 1 53 GLU H 4.020 . 4.020 3.224 2.948 3.424 . 0 0 "[ . 1 . 2]" 1
599 1 50 ARG HA 1 53 GLU HG3 5.020 . 5.020 3.782 2.972 5.264 0.244 3 0 "[ . 1 . 2]" 1
600 1 50 ARG HA 1 54 GLU HG2 4.590 . 4.590 3.939 3.694 4.380 . 0 0 "[ . 1 . 2]" 1
601 1 50 ARG HB2 1 50 ARG HD3 4.180 . 4.180 4.054 3.335 4.302 0.122 1 0 "[ . 1 . 2]" 1
602 1 50 ARG HB2 1 51 ILE H 3.460 . 3.460 2.606 2.479 2.782 . 0 0 "[ . 1 . 2]" 1
603 1 50 ARG HB3 1 54 GLU HG2 4.450 . 4.450 3.866 3.502 4.306 . 0 0 "[ . 1 . 2]" 1
604 1 50 ARG HG3 1 51 ILE H 4.890 . 4.890 4.910 4.769 5.058 0.168 18 0 "[ . 1 . 2]" 1
605 1 51 ILE H 1 51 ILE HB 3.290 . 3.290 2.430 2.274 2.573 . 0 0 "[ . 1 . 2]" 1
606 1 51 ILE H 1 51 ILE MD 4.450 . 4.450 3.591 3.389 3.765 . 0 0 "[ . 1 . 2]" 1
607 1 51 ILE H 1 51 ILE MD 3.450 . 3.450 2.406 2.148 2.647 . 0 0 "[ . 1 . 2]" 1
608 1 51 ILE H 1 51 ILE MG 3.890 . 3.890 3.796 3.716 3.871 . 0 0 "[ . 1 . 2]" 1
609 1 51 ILE H 1 52 ARG H 3.770 . 3.770 2.709 2.611 2.772 . 0 0 "[ . 1 . 2]" 1
610 1 51 ILE HA 1 54 GLU HB2 4.400 . 4.400 3.082 2.850 3.243 . 0 0 "[ . 1 . 2]" 1
611 1 51 ILE HA 1 55 LEU H 4.730 . 4.730 3.532 3.221 3.851 . 0 0 "[ . 1 . 2]" 1
612 1 51 ILE HA 1 55 LEU QD 4.540 . 4.540 3.024 2.097 3.912 . 0 0 "[ . 1 . 2]" 1
613 1 51 ILE HB 1 52 ARG H 3.190 . 3.190 2.563 2.435 2.719 . 0 0 "[ . 1 . 2]" 1
614 1 51 ILE MD 1 52 ARG H 4.830 . 4.830 4.141 3.974 4.325 . 0 0 "[ . 1 . 2]" 1
615 1 51 ILE MD 1 64 LEU QD . . 4.270 2.587 2.164 3.121 . 0 0 "[ . 1 . 2]" 1
616 1 51 ILE MG 1 52 ARG H 4.130 . 4.130 3.338 3.078 3.630 . 0 0 "[ . 1 . 2]" 1
617 1 51 ILE MG 1 55 LEU H 3.850 . 3.850 2.651 2.348 2.853 . 0 0 "[ . 1 . 2]" 1
618 1 51 ILE MG 1 56 GLY H 4.760 . 4.760 3.753 3.593 3.860 . 0 0 "[ . 1 . 2]" 1
619 1 51 ILE MG 1 55 LEU HG 4.400 . 4.400 3.708 3.015 4.450 0.050 9 0 "[ . 1 . 2]" 1
620 1 51 ILE MG 1 57 VAL H 4.480 . 4.480 3.254 2.917 3.421 . 0 0 "[ . 1 . 2]" 1
621 1 52 ARG H 1 52 ARG HB2 3.380 . 3.380 2.195 2.054 2.351 . 0 0 "[ . 1 . 2]" 1
622 1 52 ARG H 1 52 ARG HB3 3.890 . 3.890 2.598 2.369 2.939 . 0 0 "[ . 1 . 2]" 1
623 1 52 ARG H 1 52 ARG QG 4.030 . 4.030 3.801 3.417 4.005 . 0 0 "[ . 1 . 2]" 1
624 1 52 ARG H 1 57 VAL H 5.230 . 5.230 4.596 4.363 4.765 . 0 0 "[ . 1 . 2]" 1
625 1 52 ARG HA 1 55 LEU H 4.550 . 4.550 3.841 3.317 4.199 . 0 0 "[ . 1 . 2]" 1
626 1 52 ARG HA 1 56 GLY H 3.910 . 3.910 3.002 2.448 3.258 . 0 0 "[ . 1 . 2]" 1
627 1 52 ARG HA 1 57 VAL H 3.290 . 3.290 2.386 2.110 2.680 . 0 0 "[ . 1 . 2]" 1
628 1 52 ARG HA 1 57 VAL QG 3.940 . 3.940 3.580 3.359 3.870 . 0 0 "[ . 1 . 2]" 1
629 1 52 ARG HB2 1 53 GLU H 4.080 . 4.080 3.680 3.417 3.936 . 0 0 "[ . 1 . 2]" 1
630 1 52 ARG HB3 1 53 GLU H 3.540 . 3.540 2.886 2.611 3.275 . 0 0 "[ . 1 . 2]" 1
631 1 52 ARG HD2 1 56 GLY QA 4.250 . 4.250 3.469 2.438 4.534 0.284 12 0 "[ . 1 . 2]" 1
632 1 52 ARG HD2 1 57 VAL H 4.860 . 4.860 4.786 4.084 5.726 0.866 20 3 "[ . 1 .* -+]" 1
633 1 52 ARG QG 1 56 GLY H 4.560 . 4.560 4.544 3.388 4.690 0.130 15 0 "[ . 1 . 2]" 1
634 1 52 ARG QG 1 57 VAL H 4.300 . 4.300 3.427 2.621 3.668 . 0 0 "[ . 1 . 2]" 1
635 1 52 ARG HG2 1 57 VAL HA 4.330 . 4.330 4.038 3.126 5.303 0.973 12 1 "[ . 1 + . 2]" 1
636 1 53 GLU H 1 53 GLU HB2 4.020 . 4.020 2.385 2.039 3.600 . 0 0 "[ . 1 . 2]" 1
637 1 53 GLU H 1 53 GLU HB2 3.540 . 3.540 2.194 2.013 2.371 . 0 0 "[ . 1 . 2]" 1
638 1 53 GLU H 1 53 GLU HB3 3.600 . 3.600 3.469 2.677 3.646 0.046 2 0 "[ . 1 . 2]" 1
639 1 53 GLU H 1 53 GLU HG2 4.590 . 4.590 3.182 2.023 4.437 . 0 0 "[ . 1 . 2]" 1
640 1 53 GLU H 1 53 GLU HG3 4.330 . 4.330 3.409 2.283 4.517 0.187 17 0 "[ . 1 . 2]" 1
641 1 53 GLU H 1 54 GLU H 3.710 . 3.710 2.654 2.385 2.820 . 0 0 "[ . 1 . 2]" 1
642 1 53 GLU HA 1 53 GLU HG3 3.920 . 3.920 3.315 2.330 3.863 . 0 0 "[ . 1 . 2]" 1
643 1 53 GLU HB2 1 54 GLU H 3.760 . 3.760 2.777 2.514 3.631 . 0 0 "[ . 1 . 2]" 1
644 1 53 GLU HB3 1 54 GLU H 3.870 . 3.870 3.410 2.469 3.798 . 0 0 "[ . 1 . 2]" 1
645 1 53 GLU HG2 1 54 GLU H 5.420 . 5.420 4.681 2.478 5.247 . 0 0 "[ . 1 . 2]" 1
646 1 54 GLU H 1 54 GLU HB2 3.780 . 3.780 2.422 2.299 2.591 . 0 0 "[ . 1 . 2]" 1
647 1 54 GLU H 1 54 GLU HB3 3.750 . 3.750 3.586 3.543 3.655 . 0 0 "[ . 1 . 2]" 1
648 1 54 GLU H 1 54 GLU HG2 3.620 . 3.620 2.326 2.173 2.505 . 0 0 "[ . 1 . 2]" 1
649 1 54 GLU H 1 54 GLU HG3 4.000 . 4.000 3.603 3.374 3.705 . 0 0 "[ . 1 . 2]" 1
650 1 54 GLU H 1 55 LEU H 3.640 . 3.640 2.567 2.387 2.782 . 0 0 "[ . 1 . 2]" 1
651 1 54 GLU H 1 55 LEU HB2 5.020 . 5.020 4.688 4.510 4.981 . 0 0 "[ . 1 . 2]" 1
652 1 54 GLU H 1 55 LEU QD 4.420 . 4.420 3.915 3.313 4.320 . 0 0 "[ . 1 . 2]" 1
653 1 54 GLU H 1 56 GLY H 4.540 . 4.540 3.833 3.582 4.098 . 0 0 "[ . 1 . 2]" 1
654 1 54 GLU HA 1 56 GLY H 4.830 . 4.830 4.633 4.427 4.864 0.034 18 0 "[ . 1 . 2]" 1
655 1 54 GLU HB2 1 55 LEU H 4.220 . 4.220 2.710 2.497 2.994 . 0 0 "[ . 1 . 2]" 1
656 1 54 GLU HB2 1 55 LEU QD 3.520 . 3.520 2.314 2.020 2.569 . 0 0 "[ . 1 . 2]" 1
657 1 54 GLU HB3 1 55 LEU H 4.440 . 4.440 3.728 3.594 3.909 . 0 0 "[ . 1 . 2]" 1
658 1 55 LEU H 1 55 LEU HB2 3.660 . 3.660 2.373 2.228 2.547 . 0 0 "[ . 1 . 2]" 1
659 1 55 LEU H 1 55 LEU HB3 3.930 . 3.930 3.589 3.465 3.729 . 0 0 "[ . 1 . 2]" 1
660 1 55 LEU H 1 55 LEU QD . . 4.390 2.726 2.377 2.969 . 0 0 "[ . 1 . 2]" 1
661 1 55 LEU H 1 55 LEU HG 4.220 . 4.220 4.202 3.888 4.356 0.136 18 0 "[ . 1 . 2]" 1
662 1 55 LEU H 1 56 GLY H 3.420 . 3.420 2.171 1.999 2.321 . 0 0 "[ . 1 . 2]" 1
663 1 55 LEU H 1 56 GLY QA 4.310 . 4.310 4.130 3.975 4.235 . 0 0 "[ . 1 . 2]" 1
664 1 55 LEU H 1 57 VAL H 4.440 . 4.440 3.788 3.585 3.995 . 0 0 "[ . 1 . 2]" 1
665 1 55 LEU H 1 57 VAL QG 4.200 . 4.200 3.997 3.699 4.356 0.156 18 0 "[ . 1 . 2]" 1
666 1 55 LEU HA 1 55 LEU QD . . 3.770 2.358 1.945 2.971 . 0 0 "[ . 1 . 2]" 1
667 1 55 LEU HA 1 57 VAL H 5.070 . 5.070 4.325 4.267 4.461 . 0 0 "[ . 1 . 2]" 1
668 1 55 LEU HB2 1 55 LEU QD 3.250 . 3.250 2.304 2.099 2.469 . 0 0 "[ . 1 . 2]" 1
669 1 55 LEU HB2 1 56 GLY H 4.290 . 4.290 3.354 3.082 3.552 . 0 0 "[ . 1 . 2]" 1
670 1 55 LEU HB2 1 57 VAL H 3.830 . 3.830 3.232 2.792 3.647 . 0 0 "[ . 1 . 2]" 1
671 1 55 LEU HB3 1 56 GLY H 4.580 . 4.580 3.917 3.795 4.074 . 0 0 "[ . 1 . 2]" 1
672 1 55 LEU HB3 1 57 VAL H 3.900 . 3.900 3.518 3.249 3.884 . 0 0 "[ . 1 . 2]" 1
673 1 55 LEU QD 1 56 GLY H 4.980 . 4.980 4.086 3.929 4.211 . 0 0 "[ . 1 . 2]" 1
674 1 55 LEU QD 1 57 VAL H 5.400 . 5.400 4.429 3.986 4.764 . 0 0 "[ . 1 . 2]" 1
675 1 56 GLY H 1 57 VAL H 3.670 . 3.670 2.659 2.562 2.765 . 0 0 "[ . 1 . 2]" 1
676 1 56 GLY H 1 57 VAL QG . . 4.510 3.751 3.548 4.130 . 0 0 "[ . 1 . 2]" 1
677 1 56 GLY QA 1 57 VAL H 3.500 . 3.500 2.913 2.862 2.946 . 0 0 "[ . 1 . 2]" 1
678 1 57 VAL H 1 57 VAL HB 3.890 . 3.890 3.610 3.045 3.865 . 0 0 "[ . 1 . 2]" 1
679 1 57 VAL H 1 57 VAL QG . . 3.230 2.085 1.946 2.247 . 0 0 "[ . 1 . 2]" 1
680 1 57 VAL H 1 58 ASP H 4.760 . 4.760 4.471 4.366 4.578 . 0 0 "[ . 1 . 2]" 1
681 1 57 VAL HA 1 58 ASP H 3.350 . 3.350 2.170 1.956 2.514 . 0 0 "[ . 1 . 2]" 1
682 1 57 VAL HA 1 58 ASP HB3 4.910 . 4.910 4.549 4.095 5.657 0.747 17 1 "[ . 1 . + 2]" 1
683 1 57 VAL HB 1 58 ASP H 4.110 . 4.110 3.122 2.337 4.146 0.036 17 0 "[ . 1 . 2]" 1
684 1 57 VAL HB 1 77 LEU QB 5.350 . 5.350 4.924 4.276 5.289 . 0 0 "[ . 1 . 2]" 1
685 1 57 VAL HB 1 77 LEU QD 3.670 . 3.670 2.849 2.223 3.730 0.060 14 0 "[ . 1 . 2]" 1
686 1 57 VAL QG 1 58 ASP H . . 3.780 3.091 2.255 3.538 . 0 0 "[ . 1 . 2]" 1
687 1 57 VAL QG 1 77 LEU HG 4.340 . 4.340 3.509 2.122 4.183 . 0 0 "[ . 1 . 2]" 1
688 1 58 ASP H 1 58 ASP HB2 4.040 . 4.040 3.047 2.227 3.825 . 0 0 "[ . 1 . 2]" 1
689 1 58 ASP H 1 58 ASP HB3 3.900 . 3.900 2.739 2.227 3.606 . 0 0 "[ . 1 . 2]" 1
690 1 58 ASP H 1 59 LEU H 4.720 . 4.720 4.370 3.978 4.574 . 0 0 "[ . 1 . 2]" 1
691 1 58 ASP HA 1 59 LEU H 3.480 . 3.480 2.234 2.137 2.402 . 0 0 "[ . 1 . 2]" 1
692 1 59 LEU H 1 59 LEU HB2 3.790 . 3.790 2.906 2.560 3.315 . 0 0 "[ . 1 . 2]" 1
693 1 59 LEU H 1 59 LEU HB3 4.100 . 4.100 2.881 2.471 3.873 . 0 0 "[ . 1 . 2]" 1
694 1 59 LEU H 1 59 LEU QD 4.380 . 4.380 3.757 2.859 4.051 . 0 0 "[ . 1 . 2]" 1
695 1 59 LEU HA 1 59 LEU QD 3.730 . 3.730 2.439 2.018 3.128 . 0 0 "[ . 1 . 2]" 1
696 1 59 LEU HA 1 60 PRO HD3 3.970 . 3.970 2.666 2.586 2.816 . 0 0 "[ . 1 . 2]" 1
697 1 59 LEU QD 1 60 PRO HD2 4.000 . 4.000 2.704 2.159 3.589 . 0 0 "[ . 1 . 2]" 1
698 1 59 LEU QD 1 60 PRO HD3 4.370 . 4.370 3.106 2.686 3.994 . 0 0 "[ . 1 . 2]" 1
699 1 59 LEU QD 1 60 PRO HG2 3.930 . 3.930 2.568 2.163 3.109 . 0 0 "[ . 1 . 2]" 1
700 1 59 LEU QD 1 63 GLN H 5.160 . 5.160 4.244 3.489 5.039 . 0 0 "[ . 1 . 2]" 1
701 1 59 LEU QD 1 63 GLN HG3 4.530 . 4.530 3.548 2.538 4.588 0.058 11 0 "[ . 1 . 2]" 1
702 1 59 LEU QD 1 64 LEU HB2 5.070 . 5.070 3.539 2.647 5.433 0.363 2 0 "[ . 1 . 2]" 1
703 1 59 LEU QD 1 64 LEU QD 4.520 . 4.520 2.740 2.220 3.718 . 0 0 "[ . 1 . 2]" 1
704 1 59 LEU QD 1 73 VAL MG2 4.150 . 4.150 2.884 2.500 3.594 . 0 0 "[ . 1 . 2]" 1
705 1 59 LEU QD 1 76 ALA MB 3.930 . 3.930 2.602 2.006 3.367 . 0 0 "[ . 1 . 2]" 1
706 1 60 PRO HA 1 61 ILE MD 5.500 . 5.500 5.462 4.947 5.808 0.308 20 0 "[ . 1 . 2]" 1
707 1 60 PRO HB3 1 61 ILE H 3.720 . 3.720 2.401 2.244 2.612 . 0 0 "[ . 1 . 2]" 1
708 1 60 PRO QG 1 61 ILE H 4.810 . 4.810 4.370 4.192 4.453 . 0 0 "[ . 1 . 2]" 1
709 1 61 ILE H 1 61 ILE HB 4.170 . 4.170 2.429 2.261 2.672 . 0 0 "[ . 1 . 2]" 1
710 1 61 ILE H 1 61 ILE MD 3.970 . 3.970 2.486 2.181 3.448 . 0 0 "[ . 1 . 2]" 1
711 1 61 ILE H 1 61 ILE MG 3.860 . 3.860 2.593 2.188 3.829 . 0 0 "[ . 1 . 2]" 1
712 1 61 ILE HA 1 64 LEU H 4.230 . 4.230 3.147 3.001 3.446 . 0 0 "[ . 1 . 2]" 1
713 1 61 ILE HB 1 62 ARG H 3.610 . 3.610 3.110 2.573 3.431 . 0 0 "[ . 1 . 2]" 1
714 1 61 ILE MD 1 65 PHE QE 4.790 . 4.790 3.155 2.303 4.765 . 0 0 "[ . 1 . 2]" 1
715 1 61 ILE MG 1 62 ARG H 3.800 . 3.800 2.695 2.379 3.815 0.015 16 0 "[ . 1 . 2]" 1
716 1 62 ARG H 1 62 ARG QG 3.930 . 3.930 2.749 2.129 3.983 0.053 13 0 "[ . 1 . 2]" 1
717 1 62 ARG H 1 63 GLN H 4.140 . 4.140 2.717 2.627 2.871 . 0 0 "[ . 1 . 2]" 1
718 1 62 ARG QB 1 63 GLN HA 4.000 . 4.000 3.906 3.742 4.105 0.105 13 0 "[ . 1 . 2]" 1
719 1 62 ARG QB 1 63 GLN HB3 5.000 . 5.000 5.188 4.712 5.595 0.595 14 3 "[ . 1 *+. -2]" 1
720 1 62 ARG HB3 1 63 GLN H 3.770 . 3.770 3.479 2.470 3.880 0.110 14 0 "[ . 1 . 2]" 1
721 1 62 ARG QG 1 63 GLN H 4.600 . 4.600 4.189 3.709 4.559 . 0 0 "[ . 1 . 2]" 1
722 1 63 GLN H 1 63 GLN HB2 3.610 . 3.610 2.331 2.090 2.652 . 0 0 "[ . 1 . 2]" 1
723 1 63 GLN H 1 63 GLN HB3 3.630 . 3.630 3.149 2.481 3.693 0.063 18 0 "[ . 1 . 2]" 1
724 1 63 GLN H 1 63 GLN QG 4.080 . 4.080 3.518 2.577 4.130 0.050 20 0 "[ . 1 . 2]" 1
725 1 63 GLN H 1 64 LEU H 3.660 . 3.660 2.432 2.305 2.623 . 0 0 "[ . 1 . 2]" 1
726 1 63 GLN H 1 64 LEU H 3.220 . 3.220 2.260 2.204 2.356 . 0 0 "[ . 1 . 2]" 1
727 1 63 GLN H 1 64 LEU HA 5.220 . 5.220 5.085 4.983 5.206 . 0 0 "[ . 1 . 2]" 1
728 1 63 GLN HA 1 65 PHE H 4.140 . 4.140 4.146 4.039 4.184 0.044 15 0 "[ . 1 . 2]" 1
729 1 63 GLN HB2 1 64 LEU H 3.960 . 3.960 3.369 2.764 3.915 . 0 0 "[ . 1 . 2]" 1
730 1 63 GLN HB3 1 64 LEU H 3.850 . 3.850 3.200 2.604 3.882 0.032 18 0 "[ . 1 . 2]" 1
731 1 63 GLN HG3 1 76 ALA MB 4.200 . 4.200 3.773 2.573 5.074 0.874 18 5 "[ . *1 **. +-2]" 1
732 1 64 LEU H 1 64 LEU HB2 3.540 . 3.540 2.043 1.981 2.207 . 0 0 "[ . 1 . 2]" 1
733 1 64 LEU H 1 64 LEU HB3 3.500 . 3.500 3.224 3.025 3.523 0.023 6 0 "[ . 1 . 2]" 1
734 1 64 LEU H 1 64 LEU QD 4.780 . 4.780 3.581 3.339 3.725 . 0 0 "[ . 1 . 2]" 1
735 1 64 LEU H 1 64 LEU HG 4.040 . 4.040 3.625 2.927 3.976 . 0 0 "[ . 1 . 2]" 1
736 1 64 LEU H 1 65 PHE H 3.460 . 3.460 2.698 2.519 2.805 . 0 0 "[ . 1 . 2]" 1
737 1 64 LEU H 1 66 SER H 4.520 . 4.520 4.069 3.884 4.226 . 0 0 "[ . 1 . 2]" 1
738 1 64 LEU HA 1 64 LEU QD . . 3.690 2.297 2.044 2.482 . 0 0 "[ . 1 . 2]" 1
739 1 64 LEU HA 1 73 VAL MG2 4.030 . 4.030 2.808 2.577 3.164 . 0 0 "[ . 1 . 2]" 1
740 1 64 LEU HB2 1 65 PHE H 4.230 . 4.230 3.324 2.962 3.541 . 0 0 "[ . 1 . 2]" 1
741 1 64 LEU HB3 1 65 PHE H 4.060 . 4.060 3.087 2.883 3.447 . 0 0 "[ . 1 . 2]" 1
742 1 64 LEU QD 1 73 VAL MG1 4.130 . 4.130 3.594 2.248 3.997 . 0 0 "[ . 1 . 2]" 1
743 1 64 LEU QD 1 73 VAL MG2 3.640 . 3.640 2.545 2.174 2.903 . 0 0 "[ . 1 . 2]" 1
744 1 64 LEU HG 1 73 VAL MG1 4.070 . 4.070 3.802 2.717 4.150 0.080 19 0 "[ . 1 . 2]" 1
745 1 65 PHE H 1 65 PHE HB2 3.850 . 3.850 2.339 2.124 2.604 . 0 0 "[ . 1 . 2]" 1
746 1 65 PHE H 1 65 PHE HB3 3.540 . 3.540 3.553 3.443 3.648 0.108 16 0 "[ . 1 . 2]" 1
747 1 65 PHE H 1 66 SER H 3.660 . 3.660 2.576 2.393 2.688 . 0 0 "[ . 1 . 2]" 1
748 1 65 PHE H 1 67 SER H 4.290 . 4.290 3.858 3.725 3.970 . 0 0 "[ . 1 . 2]" 1
749 1 65 PHE HB2 1 66 SER H 4.360 . 4.360 3.076 2.702 3.382 . 0 0 "[ . 1 . 2]" 1
750 1 65 PHE HB3 1 66 SER H 4.530 . 4.530 3.726 3.386 3.944 . 0 0 "[ . 1 . 2]" 1
751 1 66 SER H 1 66 SER QB 3.340 . 3.340 2.462 2.246 2.726 . 0 0 "[ . 1 . 2]" 1
752 1 66 SER QB 1 67 SER H 3.760 . 3.760 3.212 2.980 3.688 . 0 0 "[ . 1 . 2]" 1
753 1 66 SER HB2 1 67 SER H 4.210 . 4.210 3.432 3.104 4.299 0.089 10 0 "[ . 1 . 2]" 1
754 1 66 SER HB3 1 67 SER H 4.470 . 4.470 4.129 3.061 4.308 . 0 0 "[ . 1 . 2]" 1
755 1 67 SER H 1 67 SER HB2 4.150 . 4.150 3.025 2.594 3.941 . 0 0 "[ . 1 . 2]" 1
756 1 67 SER H 1 68 PRO HD2 3.800 . 3.800 3.988 3.812 4.142 0.342 17 0 "[ . 1 . 2]" 1
757 1 67 SER H 1 68 PRO HD3 4.300 . 4.300 3.035 2.850 3.263 . 0 0 "[ . 1 . 2]" 1
758 1 67 SER HA 1 68 PRO HD2 3.910 . 3.910 2.423 2.266 2.605 . 0 0 "[ . 1 . 2]" 1
759 1 67 SER HA 1 68 PRO HD3 3.890 . 3.890 3.087 2.855 3.312 . 0 0 "[ . 1 . 2]" 1
760 1 67 SER HA 1 73 VAL MG2 4.560 . 4.560 4.586 4.263 4.805 0.245 20 0 "[ . 1 . 2]" 1
761 1 67 SER HB3 1 73 VAL HA 4.420 . 4.420 3.318 2.501 4.504 0.084 15 0 "[ . 1 . 2]" 1
762 1 68 PRO HD2 1 69 THR H 4.000 . 4.000 2.914 2.780 3.317 . 0 0 "[ . 1 . 2]" 1
763 1 68 PRO HD3 1 69 THR H 4.680 . 4.680 4.052 3.932 4.360 . 0 0 "[ . 1 . 2]" 1
764 1 69 THR H 1 69 THR MG 3.350 . 3.350 2.504 2.350 2.689 . 0 0 "[ . 1 . 2]" 1
765 1 69 THR H 1 70 PRO HD3 5.110 . 5.110 5.029 4.892 5.387 0.277 12 0 "[ . 1 . 2]" 1
766 1 69 THR HA 1 70 PRO HD3 4.010 . 4.010 2.276 2.094 2.651 . 0 0 "[ . 1 . 2]" 1
767 1 69 THR HB 1 71 ALA H 4.240 . 4.240 2.854 2.603 3.084 . 0 0 "[ . 1 . 2]" 1
768 1 69 THR HB 1 72 GLY H 4.480 . 4.480 3.514 3.292 3.817 . 0 0 "[ . 1 . 2]" 1
769 1 69 THR MG 1 71 ALA H 5.030 . 5.030 4.403 4.186 4.661 . 0 0 "[ . 1 . 2]" 1
770 1 70 PRO HB2 1 71 ALA H 4.120 . 4.120 2.658 2.215 3.233 . 0 0 "[ . 1 . 2]" 1
771 1 70 PRO HB2 1 71 ALA HA 4.150 . 4.150 3.900 3.483 4.123 . 0 0 "[ . 1 . 2]" 1
772 1 70 PRO HB2 1 72 GLY H 5.500 . 5.500 4.896 4.483 5.296 . 0 0 "[ . 1 . 2]" 1
773 1 70 PRO HB3 1 71 ALA H 4.280 . 4.280 4.017 3.632 4.154 . 0 0 "[ . 1 . 2]" 1
774 1 70 PRO HD3 1 72 GLY H 5.490 . 5.490 4.746 4.593 4.852 . 0 0 "[ . 1 . 2]" 1
775 1 71 ALA H 1 71 ALA MB 3.210 . 3.210 2.208 2.146 2.248 . 0 0 "[ . 1 . 2]" 1
776 1 71 ALA H 1 72 GLY H 3.900 . 3.900 2.641 2.462 2.760 . 0 0 "[ . 1 . 2]" 1
777 1 71 ALA H 1 72 GLY HA2 5.230 . 5.230 5.282 5.150 5.430 0.200 12 0 "[ . 1 . 2]" 1
778 1 71 ALA H 1 74 ALA MB 4.990 . 4.990 4.873 4.661 5.104 0.114 20 0 "[ . 1 . 2]" 1
779 1 71 ALA HA 1 74 ALA H 4.380 . 4.380 3.589 3.274 3.788 . 0 0 "[ . 1 . 2]" 1
780 1 71 ALA MB 1 72 GLY H 3.760 . 3.760 2.751 2.652 2.929 . 0 0 "[ . 1 . 2]" 1
781 1 72 GLY H 1 73 VAL H 3.920 . 3.920 2.579 2.308 2.765 . 0 0 "[ . 1 . 2]" 1
782 1 72 GLY H 1 73 VAL MG2 4.490 . 4.490 4.045 3.587 4.245 . 0 0 "[ . 1 . 2]" 1
783 1 72 GLY HA2 1 74 ALA H 4.840 . 4.840 4.402 4.070 4.633 . 0 0 "[ . 1 . 2]" 1
784 1 73 VAL H 1 73 VAL HB 3.670 . 3.670 2.590 2.476 3.324 . 0 0 "[ . 1 . 2]" 1
785 1 73 VAL H 1 73 VAL MG2 3.430 . 3.430 2.144 1.800 2.251 . 0 0 "[ . 1 . 2]" 1
786 1 73 VAL H 1 74 ALA H 3.760 . 3.760 2.667 2.542 2.761 . 0 0 "[ . 1 . 2]" 1
787 1 73 VAL H 1 74 ALA MB 4.390 . 4.390 4.337 4.211 4.403 0.013 8 0 "[ . 1 . 2]" 1
788 1 73 VAL HA 1 73 VAL MG2 3.560 . 3.560 2.422 2.327 2.932 . 0 0 "[ . 1 . 2]" 1
789 1 73 VAL HA 1 76 ALA H 4.120 . 4.120 3.495 3.348 3.762 . 0 0 "[ . 1 . 2]" 1
790 1 73 VAL HA 1 76 ALA MB 3.600 . 3.600 2.615 2.297 3.569 . 0 0 "[ . 1 . 2]" 1
791 1 73 VAL HB 1 74 ALA H 3.610 . 3.610 2.800 2.675 3.177 . 0 0 "[ . 1 . 2]" 1
792 1 73 VAL HB 1 74 ALA HA 5.460 . 5.460 4.286 3.998 4.420 . 0 0 "[ . 1 . 2]" 1
793 1 73 VAL MG1 1 76 ALA MB 3.540 . 3.540 3.319 3.057 3.593 0.053 12 0 "[ . 1 . 2]" 1
794 1 73 VAL MG2 1 74 ALA H 4.320 . 4.320 3.899 3.051 4.071 . 0 0 "[ . 1 . 2]" 1
795 1 73 VAL MG2 1 76 ALA MB 4.620 . 4.620 4.110 3.769 4.645 0.025 20 0 "[ . 1 . 2]" 1
796 1 74 ALA H 1 74 ALA MB 3.100 . 3.100 2.218 2.158 2.258 . 0 0 "[ . 1 . 2]" 1
797 1 74 ALA H 1 75 ARG H 3.730 . 3.730 2.883 2.772 2.966 . 0 0 "[ . 1 . 2]" 1
798 1 74 ALA HA 1 76 ALA H 4.600 . 4.600 4.294 3.853 4.499 . 0 0 "[ . 1 . 2]" 1
799 1 74 ALA HA 1 77 LEU H 4.380 . 4.380 3.451 3.257 3.655 . 0 0 "[ . 1 . 2]" 1
800 1 74 ALA HA 1 77 LEU QD . . 3.960 2.822 2.172 3.575 . 0 0 "[ . 1 . 2]" 1
801 1 74 ALA MB 1 75 ARG H 3.390 . 3.390 2.537 2.356 2.763 . 0 0 "[ . 1 . 2]" 1
802 1 74 ALA MB 1 77 LEU QD 4.130 . 4.130 3.829 3.322 4.204 0.074 5 0 "[ . 1 . 2]" 1
803 1 75 ARG H 1 75 ARG HB3 3.340 . 3.340 2.601 2.392 2.689 . 0 0 "[ . 1 . 2]" 1
804 1 75 ARG H 1 75 ARG HD2 5.080 . 5.080 4.432 3.562 5.053 . 0 0 "[ . 1 . 2]" 1
805 1 75 ARG H 1 75 ARG HD3 4.740 . 4.740 4.427 3.859 4.794 0.054 14 0 "[ . 1 . 2]" 1
806 1 75 ARG H 1 75 ARG HG2 4.060 . 4.060 2.205 1.919 2.581 . 0 0 "[ . 1 . 2]" 1
807 1 75 ARG H 1 75 ARG HG3 3.240 . 3.240 3.358 3.082 3.676 0.436 20 0 "[ . 1 . 2]" 1
808 1 75 ARG H 1 76 ALA H 3.510 . 3.510 2.566 2.432 2.718 . 0 0 "[ . 1 . 2]" 1
809 1 75 ARG H 1 76 ALA HA 5.380 . 5.380 5.231 5.110 5.316 . 0 0 "[ . 1 . 2]" 1
810 1 75 ARG HA 1 75 ARG HG2 3.830 . 3.830 3.788 3.692 3.867 0.037 14 0 "[ . 1 . 2]" 1
811 1 75 ARG HA 1 75 ARG HG3 3.820 . 3.820 3.782 3.686 3.849 0.029 12 0 "[ . 1 . 2]" 1
812 1 75 ARG HA 1 78 ALA H 3.860 . 3.860 3.208 2.929 3.641 . 0 0 "[ . 1 . 2]" 1
813 1 75 ARG HA 1 78 ALA MB 3.720 . 3.720 2.555 2.364 3.293 . 0 0 "[ . 1 . 2]" 1
814 1 75 ARG HB3 1 76 ALA H 4.030 . 4.030 4.077 4.037 4.153 0.123 18 0 "[ . 1 . 2]" 1
815 1 75 ARG HG2 1 76 ALA H 4.730 . 4.730 2.850 2.554 3.228 . 0 0 "[ . 1 . 2]" 1
816 1 75 ARG HG3 1 76 ALA H 3.800 . 3.800 2.731 2.406 3.061 . 0 0 "[ . 1 . 2]" 1
817 1 75 ARG HG3 1 76 ALA MB 3.860 . 3.860 3.492 3.258 3.773 . 0 0 "[ . 1 . 2]" 1
818 1 76 ALA H 1 76 ALA MB 3.050 . 3.050 2.255 2.228 2.281 . 0 0 "[ . 1 . 2]" 1
819 1 76 ALA H 1 77 LEU H 3.660 . 3.660 2.609 2.485 2.714 . 0 0 "[ . 1 . 2]" 1
820 1 76 ALA MB 1 77 LEU H 3.760 . 3.760 2.591 2.417 2.787 . 0 0 "[ . 1 . 2]" 1
821 1 76 ALA MB 1 77 LEU H 3.430 . 3.430 2.140 1.973 2.332 . 0 0 "[ . 1 . 2]" 1
822 1 77 LEU H 1 77 LEU QB 3.740 . 3.740 2.290 2.063 2.603 . 0 0 "[ . 1 . 2]" 1
823 1 77 LEU H 1 77 LEU QD . . 3.800 3.279 2.337 3.737 . 0 0 "[ . 1 . 2]" 1
824 1 77 LEU H 1 78 ALA H 3.830 . 3.830 2.647 2.490 2.737 . 0 0 "[ . 1 . 2]" 1
825 1 77 LEU HA 1 77 LEU QD 3.250 . 3.250 2.257 2.037 3.082 . 0 0 "[ . 1 . 2]" 1
826 1 77 LEU QB 1 79 ALA H 5.320 . 5.320 4.613 4.439 4.810 . 0 0 "[ . 1 . 2]" 1
827 1 78 ALA H 1 78 ALA MB 3.100 . 3.100 2.226 2.194 2.254 . 0 0 "[ . 1 . 2]" 1
828 1 78 ALA H 1 79 ALA H 4.020 . 4.020 2.731 2.627 2.863 . 0 0 "[ . 1 . 2]" 1
829 1 78 ALA H 1 79 ALA H 3.900 . 3.900 2.403 2.286 2.488 . 0 0 "[ . 1 . 2]" 1
830 1 78 ALA MB 1 79 ALA H 3.420 . 3.420 2.753 2.583 3.107 . 0 0 "[ . 1 . 2]" 1
831 1 78 ALA MB 1 79 ALA H 2.990 . 2.990 2.133 2.065 2.194 . 0 0 "[ . 1 . 2]" 1
832 1 79 ALA H 1 79 ALA MB 3.020 . 3.020 2.227 2.164 2.267 . 0 0 "[ . 1 . 2]" 1
833 1 84 TRP QB 1 84 TRP HE3 3.890 . 3.890 2.602 2.407 2.804 . 0 0 "[ . 1 . 2]" 1
834 1 88 GLN HA 1 89 PHE QD 4.150 . 4.150 3.839 3.014 4.337 0.187 20 0 "[ . 1 . 2]" 1
835 1 88 GLN HB2 1 89 PHE QB 5.270 . 5.270 4.971 3.972 6.041 0.771 10 1 "[ . + . 2]" 1
836 1 90 GLU HA 1 91 LYS H 3.240 . 3.240 2.554 2.241 3.250 0.010 16 0 "[ . 1 . 2]" 1
837 1 90 GLU HB2 1 91 LYS H 4.760 . 4.760 3.441 2.168 4.296 . 0 0 "[ . 1 . 2]" 1
838 1 90 GLU HB3 1 91 LYS H 4.050 . 4.050 3.516 2.323 4.616 0.566 3 1 "[ + . 1 . 2]" 1
839 1 91 LYS H 1 91 LYS HB3 3.900 . 3.900 2.968 2.366 3.857 . 0 0 "[ . 1 . 2]" 1
840 1 91 LYS H 1 91 LYS QG 4.310 . 4.310 3.529 2.039 4.302 . 0 0 "[ . 1 . 2]" 1
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