NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
478325 |
1xpv   |
6363 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xpv
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 1530
_Distance_constraint_stats_list.Viol_count 963
_Distance_constraint_stats_list.Viol_total 438.488
_Distance_constraint_stats_list.Viol_max 0.127
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0228
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.253 0.058 12 0 "[ . 1 . 2]"
1 4 THR 0.219 0.058 12 0 "[ . 1 . 2]"
1 5 LEU 0.039 0.011 15 0 "[ . 1 . 2]"
1 6 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLN 0.179 0.027 16 0 "[ . 1 . 2]"
1 8 ARG 0.091 0.040 16 0 "[ . 1 . 2]"
1 9 ASP 0.086 0.040 16 0 "[ . 1 . 2]"
1 10 ASP 0.246 0.069 17 0 "[ . 1 . 2]"
1 11 CYS 0.072 0.026 19 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLN 0.187 0.028 19 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 1.531 0.118 8 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.180 0.028 16 0 "[ . 1 . 2]"
1 22 ALA 0.152 0.029 16 0 "[ . 1 . 2]"
1 23 GLN 4.477 0.115 5 0 "[ . 1 . 2]"
1 24 ALA 0.424 0.028 19 0 "[ . 1 . 2]"
1 25 ARG 0.973 0.080 19 0 "[ . 1 . 2]"
1 26 ALA 1.603 0.053 9 0 "[ . 1 . 2]"
1 27 GLY 0.938 0.053 9 0 "[ . 1 . 2]"
1 28 ALA 0.026 0.012 11 0 "[ . 1 . 2]"
1 29 PHE 0.138 0.032 12 0 "[ . 1 . 2]"
1 30 PHE 0.231 0.022 15 0 "[ . 1 . 2]"
1 31 SER 0.376 0.126 15 0 "[ . 1 . 2]"
1 32 VAL 0.051 0.022 16 0 "[ . 1 . 2]"
1 33 PHE 0.023 0.011 1 0 "[ . 1 . 2]"
1 34 ILE 0.387 0.045 20 0 "[ . 1 . 2]"
1 35 ASP 0.229 0.045 20 0 "[ . 1 . 2]"
1 36 ASP 0.024 0.021 16 0 "[ . 1 . 2]"
1 37 ASP 0.358 0.044 1 0 "[ . 1 . 2]"
1 38 ALA 1.224 0.056 17 0 "[ . 1 . 2]"
1 39 ALA 0.149 0.040 7 0 "[ . 1 . 2]"
1 40 LEU 0.282 0.033 1 0 "[ . 1 . 2]"
1 41 GLU 1.251 0.056 17 0 "[ . 1 . 2]"
1 42 SER 1.470 0.056 15 0 "[ . 1 . 2]"
1 43 ALA 0.352 0.030 15 0 "[ . 1 . 2]"
1 44 TYR 0.012 0.007 18 0 "[ . 1 . 2]"
1 45 GLY 0.082 0.014 8 0 "[ . 1 . 2]"
1 46 LEU 0.157 0.027 15 0 "[ . 1 . 2]"
1 47 ARG 1.238 0.069 2 0 "[ . 1 . 2]"
1 48 VAL 0.495 0.039 17 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.083 0.012 4 0 "[ . 1 . 2]"
1 51 LEU 0.713 0.107 14 0 "[ . 1 . 2]"
1 52 ARG 0.473 0.079 16 0 "[ . 1 . 2]"
1 53 ASP 0.562 0.079 16 0 "[ . 1 . 2]"
1 54 PRO 0.102 0.036 12 0 "[ . 1 . 2]"
1 55 MET 0.215 0.080 20 0 "[ . 1 . 2]"
1 56 GLY 0.066 0.050 20 0 "[ . 1 . 2]"
1 57 ARG 0.622 0.127 20 0 "[ . 1 . 2]"
1 58 GLU 1.397 0.127 20 0 "[ . 1 . 2]"
1 59 LEU 0.230 0.078 16 0 "[ . 1 . 2]"
1 60 ASP 0.451 0.089 7 0 "[ . 1 . 2]"
1 61 TRP 0.034 0.012 8 0 "[ . 1 . 2]"
1 63 PHE 0.445 0.037 16 0 "[ . 1 . 2]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 0.476 0.059 19 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.565 0.037 16 0 "[ . 1 . 2]"
1 68 LEU 1.324 0.059 19 0 "[ . 1 . 2]"
1 69 ARG 1.092 0.042 6 0 "[ . 1 . 2]"
1 70 ALA 0.234 0.029 20 0 "[ . 1 . 2]"
1 71 TRP 0.611 0.076 3 0 "[ . 1 . 2]"
1 72 LEU 0.636 0.080 8 0 "[ . 1 . 2]"
1 73 ASP 0.444 0.063 10 0 "[ . 1 . 2]"
1 74 ALA 0.416 0.078 3 0 "[ . 1 . 2]"
1 75 ALA 0.595 0.063 10 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 HIS 0.351 0.070 9 0 "[ . 1 . 2]"
1 78 ALA 0.096 0.038 18 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 HG2 1 2 ALA H . . 6.000 4.506 3.304 5.681 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HG3 1 2 ALA H . . 6.000 4.266 1.950 5.974 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 3 LEU H . . 4.700 4.391 3.939 4.648 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA HA 1 3 LEU H . . 3.370 2.651 2.192 3.207 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA MB 1 29 PHE H . . 6.160 4.645 4.213 4.988 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA MB 1 29 PHE HA . . 4.000 2.401 1.965 2.866 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA MB 1 30 PHE H . . 4.830 3.458 2.994 3.838 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 30 PHE QD . . 6.310 2.686 1.995 3.429 . 0 0 "[ . 1 . 2]" 1
9 1 2 ALA MB 1 30 PHE QE . . 6.990 2.389 1.953 3.388 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA MB 1 30 PHE HZ . . 5.840 3.761 2.782 4.646 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU H 1 3 LEU HB2 . . 3.730 2.404 2.152 3.565 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU H 1 3 LEU QB . . 3.270 2.332 2.131 2.707 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU H 1 3 LEU HB3 . . 3.730 3.518 2.805 3.732 0.002 10 0 "[ . 1 . 2]" 1
14 1 3 LEU H 1 3 LEU MD1 . . 5.410 3.307 2.937 3.779 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU H 1 3 LEU QD . . 4.570 3.112 2.464 3.488 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU H 1 3 LEU MD2 . . 5.410 3.996 2.509 4.460 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU H 1 3 LEU HG . . 3.440 2.825 1.927 3.412 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU H 1 4 THR H . . 6.000 4.510 4.384 4.602 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU H 1 29 PHE HA . . 3.300 2.884 2.016 3.302 0.002 2 0 "[ . 1 . 2]" 1
20 1 3 LEU H 1 29 PHE HB2 . . 5.500 3.385 2.283 4.139 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU H 1 29 PHE HB3 . . 4.780 3.047 1.970 3.764 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU HA 1 4 THR H . . 2.690 2.670 2.593 2.720 0.030 3 0 "[ . 1 . 2]" 1
23 1 3 LEU HA 1 53 ASP HA . . 3.010 2.837 2.371 3.029 0.019 16 0 "[ . 1 . 2]" 1
24 1 3 LEU QB 1 4 THR H . . 3.280 2.076 2.005 2.208 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU QB 1 29 PHE HA . . 6.450 3.848 3.432 5.150 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU QB 1 29 PHE HB2 . . 6.160 2.787 2.239 4.149 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU QB 1 29 PHE HB3 . . 4.940 2.396 2.123 4.416 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU QB 1 30 PHE H . . 5.480 4.136 3.580 4.830 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU QB 1 51 LEU QD . . 6.400 2.399 2.141 2.775 . 0 0 "[ . 1 . 2]" 1
30 1 3 LEU QB 1 53 ASP HA . . 6.880 3.892 2.246 4.522 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU QB 1 53 ASP QB . . 7.750 5.009 2.885 5.771 . 0 0 "[ . 1 . 2]" 1
32 1 3 LEU HB2 1 4 THR H . . 3.480 3.368 2.034 3.499 0.019 3 0 "[ . 1 . 2]" 1
33 1 3 LEU HB2 1 51 LEU MD1 . . 8.190 4.748 3.300 5.773 . 0 0 "[ . 1 . 2]" 1
34 1 3 LEU HB2 1 51 LEU MD2 . . 8.190 3.824 2.855 5.361 . 0 0 "[ . 1 . 2]" 1
35 1 3 LEU HB3 1 4 THR H . . 3.480 2.168 2.017 3.538 0.058 12 0 "[ . 1 . 2]" 1
36 1 3 LEU HB3 1 51 LEU MD1 . . 8.190 4.022 2.180 5.659 . 0 0 "[ . 1 . 2]" 1
37 1 3 LEU HB3 1 51 LEU MD2 . . 8.190 2.997 2.228 4.510 . 0 0 "[ . 1 . 2]" 1
38 1 3 LEU QD 1 4 THR H . . 4.630 2.987 2.647 3.265 . 0 0 "[ . 1 . 2]" 1
39 1 3 LEU QD 1 5 LEU QB . . 7.460 4.621 3.234 4.883 . 0 0 "[ . 1 . 2]" 1
40 1 3 LEU QD 1 21 LEU MD1 . . 7.120 3.897 3.334 4.199 . 0 0 "[ . 1 . 2]" 1
41 1 3 LEU QD 1 21 LEU MD2 . . 7.270 2.673 2.262 3.012 . 0 0 "[ . 1 . 2]" 1
42 1 3 LEU QD 1 21 LEU HG . . 7.840 4.698 4.176 5.127 . 0 0 "[ . 1 . 2]" 1
43 1 3 LEU QD 1 26 ALA MB . . 5.940 2.525 2.115 2.923 . 0 0 "[ . 1 . 2]" 1
44 1 3 LEU QD 1 27 GLY H . . 8.490 4.780 4.419 5.177 . 0 0 "[ . 1 . 2]" 1
45 1 3 LEU QD 1 29 PHE HB2 . . 8.600 3.926 2.124 4.404 . 0 0 "[ . 1 . 2]" 1
46 1 3 LEU QD 1 29 PHE HB3 . . 8.600 3.037 2.172 3.600 . 0 0 "[ . 1 . 2]" 1
47 1 3 LEU QD 1 51 LEU QD . . 5.710 2.194 1.664 2.466 . 0 0 "[ . 1 . 2]" 1
48 1 3 LEU QD 1 53 ASP H . . 8.450 4.099 3.810 5.260 . 0 0 "[ . 1 . 2]" 1
49 1 3 LEU QD 1 53 ASP HA . . 5.000 2.248 1.924 3.685 . 0 0 "[ . 1 . 2]" 1
50 1 3 LEU QD 1 53 ASP QB . . 5.790 2.755 2.021 3.540 . 0 0 "[ . 1 . 2]" 1
51 1 3 LEU QD 1 54 PRO QD . . 6.000 2.701 1.943 3.573 . 0 0 "[ . 1 . 2]" 1
52 1 3 LEU QD 1 71 TRP HH2 . . 5.830 3.214 2.668 3.478 . 0 0 "[ . 1 . 2]" 1
53 1 3 LEU QD 1 71 TRP HZ3 . . 4.160 2.711 2.196 3.052 . 0 0 "[ . 1 . 2]" 1
54 1 3 LEU MD1 1 4 THR H . . 5.440 4.348 2.669 4.551 . 0 0 "[ . 1 . 2]" 1
55 1 3 LEU MD1 1 21 LEU MD1 . . 8.060 4.113 3.387 4.534 . 0 0 "[ . 1 . 2]" 1
56 1 3 LEU MD1 1 21 LEU MD2 . . 8.060 2.724 2.272 3.136 . 0 0 "[ . 1 . 2]" 1
57 1 3 LEU MD1 1 26 ALA MB . . 6.580 2.575 2.120 3.512 . 0 0 "[ . 1 . 2]" 1
58 1 3 LEU MD1 1 51 LEU MD1 . . 6.330 3.515 2.945 4.079 . 0 0 "[ . 1 . 2]" 1
59 1 3 LEU MD1 1 51 LEU MD2 . . 6.330 3.063 1.677 3.828 . 0 0 "[ . 1 . 2]" 1
60 1 3 LEU MD1 1 53 ASP HB2 . . 7.720 5.926 5.036 6.203 . 0 0 "[ . 1 . 2]" 1
61 1 3 LEU MD1 1 53 ASP HB3 . . 7.720 5.365 4.486 6.110 . 0 0 "[ . 1 . 2]" 1
62 1 3 LEU MD1 1 54 PRO HD2 . . 7.720 5.438 4.981 5.893 . 0 0 "[ . 1 . 2]" 1
63 1 3 LEU MD1 1 54 PRO HD3 . . 7.720 4.845 4.337 5.872 . 0 0 "[ . 1 . 2]" 1
64 1 3 LEU MD1 1 71 TRP HZ3 . . 5.190 3.933 3.268 4.141 . 0 0 "[ . 1 . 2]" 1
65 1 3 LEU MD2 1 4 THR H . . 5.440 3.130 2.667 4.497 . 0 0 "[ . 1 . 2]" 1
66 1 3 LEU MD2 1 21 LEU MD1 . . 8.060 4.935 4.423 5.288 . 0 0 "[ . 1 . 2]" 1
67 1 3 LEU MD2 1 21 LEU MD2 . . 8.060 3.997 3.414 4.282 . 0 0 "[ . 1 . 2]" 1
68 1 3 LEU MD2 1 26 ALA MB . . 6.580 4.243 3.045 4.442 . 0 0 "[ . 1 . 2]" 1
69 1 3 LEU MD2 1 51 LEU MD1 . . 6.330 3.456 1.839 4.190 . 0 0 "[ . 1 . 2]" 1
70 1 3 LEU MD2 1 51 LEU MD2 . . 6.330 2.780 1.886 4.098 . 0 0 "[ . 1 . 2]" 1
71 1 3 LEU MD2 1 53 ASP HB2 . . 7.720 3.553 2.668 4.865 . 0 0 "[ . 1 . 2]" 1
72 1 3 LEU MD2 1 53 ASP HB3 . . 7.720 3.054 2.038 3.840 . 0 0 "[ . 1 . 2]" 1
73 1 3 LEU MD2 1 54 PRO HD2 . . 7.720 3.449 2.868 4.424 . 0 0 "[ . 1 . 2]" 1
74 1 3 LEU MD2 1 54 PRO HD3 . . 7.720 2.896 1.980 4.082 . 0 0 "[ . 1 . 2]" 1
75 1 3 LEU MD2 1 71 TRP HZ3 . . 5.190 2.790 2.209 3.659 . 0 0 "[ . 1 . 2]" 1
76 1 3 LEU HG 1 4 THR H . . 4.850 4.469 3.985 4.696 . 0 0 "[ . 1 . 2]" 1
77 1 3 LEU HG 1 51 LEU QD . . 8.270 4.315 3.960 4.595 . 0 0 "[ . 1 . 2]" 1
78 1 4 THR H 1 4 THR HB . . 3.050 2.875 2.702 3.013 . 0 0 "[ . 1 . 2]" 1
79 1 4 THR H 1 5 LEU H . . 4.600 3.930 3.799 4.269 . 0 0 "[ . 1 . 2]" 1
80 1 4 THR H 1 51 LEU MD1 . . 7.030 4.720 2.704 5.636 . 0 0 "[ . 1 . 2]" 1
81 1 4 THR H 1 51 LEU MD2 . . 7.030 3.390 2.411 5.175 . 0 0 "[ . 1 . 2]" 1
82 1 4 THR H 1 52 ARG H . . 3.730 3.098 2.800 3.553 . 0 0 "[ . 1 . 2]" 1
83 1 4 THR H 1 53 ASP HA . . 4.310 3.852 3.258 4.196 . 0 0 "[ . 1 . 2]" 1
84 1 4 THR HA 1 5 LEU H . . 3.010 2.162 2.150 2.206 . 0 0 "[ . 1 . 2]" 1
85 1 4 THR HA 1 30 PHE H . . 3.520 3.079 2.662 3.445 . 0 0 "[ . 1 . 2]" 1
86 1 4 THR HA 1 30 PHE HB3 . . 5.240 4.641 3.938 5.047 . 0 0 "[ . 1 . 2]" 1
87 1 4 THR HB 1 5 LEU H . . 4.810 4.503 4.248 4.605 . 0 0 "[ . 1 . 2]" 1
88 1 4 THR HB 1 52 ARG H . . 4.700 3.756 3.342 4.068 . 0 0 "[ . 1 . 2]" 1
89 1 4 THR HB 1 52 ARG HB2 . . 4.560 4.213 3.489 4.570 0.010 12 0 "[ . 1 . 2]" 1
90 1 4 THR HB 1 52 ARG QB . . 4.360 3.290 1.989 3.987 . 0 0 "[ . 1 . 2]" 1
91 1 4 THR HB 1 52 ARG HB3 . . 4.560 3.623 2.001 4.565 0.005 9 0 "[ . 1 . 2]" 1
92 1 4 THR MG 1 5 LEU H . . 4.800 3.097 2.483 3.299 . 0 0 "[ . 1 . 2]" 1
93 1 4 THR MG 1 6 TYR H . . 6.600 3.930 3.490 4.377 . 0 0 "[ . 1 . 2]" 1
94 1 4 THR MG 1 6 TYR QD . . 9.130 3.738 3.430 4.098 . 0 0 "[ . 1 . 2]" 1
95 1 4 THR MG 1 6 TYR QE . . 8.150 3.259 2.853 3.784 . 0 0 "[ . 1 . 2]" 1
96 1 4 THR MG 1 30 PHE H . . 5.910 4.497 4.034 4.829 . 0 0 "[ . 1 . 2]" 1
97 1 4 THR MG 1 30 PHE HB2 . . 6.060 3.523 2.963 3.949 . 0 0 "[ . 1 . 2]" 1
98 1 4 THR MG 1 30 PHE HB3 . . 6.160 4.144 3.093 4.507 . 0 0 "[ . 1 . 2]" 1
99 1 4 THR MG 1 30 PHE QE . . 9.150 6.508 5.790 6.847 . 0 0 "[ . 1 . 2]" 1
100 1 4 THR MG 1 32 VAL H . . 4.800 3.715 3.265 3.890 . 0 0 "[ . 1 . 2]" 1
101 1 4 THR MG 1 32 VAL HB . . 4.760 2.847 2.572 3.184 . 0 0 "[ . 1 . 2]" 1
102 1 4 THR MG 1 32 VAL MG1 . . 6.980 3.511 3.094 3.957 . 0 0 "[ . 1 . 2]" 1
103 1 4 THR MG 1 32 VAL MG2 . . 5.280 1.908 1.683 2.110 . 0 0 "[ . 1 . 2]" 1
104 1 4 THR MG 1 52 ARG H . . 7.030 4.379 4.007 4.798 . 0 0 "[ . 1 . 2]" 1
105 1 4 THR MG 1 52 ARG QB . . 7.040 3.925 2.774 4.748 . 0 0 "[ . 1 . 2]" 1
106 1 5 LEU H 1 5 LEU QB . . 3.720 2.298 2.226 2.398 . 0 0 "[ . 1 . 2]" 1
107 1 5 LEU H 1 5 LEU MD1 . . 5.440 4.493 4.423 4.536 . 0 0 "[ . 1 . 2]" 1
108 1 5 LEU H 1 5 LEU MD2 . . 5.050 4.056 4.000 4.136 . 0 0 "[ . 1 . 2]" 1
109 1 5 LEU H 1 5 LEU HG . . 5.500 4.126 4.051 4.190 . 0 0 "[ . 1 . 2]" 1
110 1 5 LEU H 1 6 TYR H . . 6.000 4.197 4.068 4.388 . 0 0 "[ . 1 . 2]" 1
111 1 5 LEU H 1 29 PHE QD . . 7.730 3.625 3.124 4.267 . 0 0 "[ . 1 . 2]" 1
112 1 5 LEU H 1 29 PHE QE . . 8.120 4.750 3.987 5.638 . 0 0 "[ . 1 . 2]" 1
113 1 5 LEU H 1 30 PHE HB2 . . 6.000 4.918 4.496 5.133 . 0 0 "[ . 1 . 2]" 1
114 1 5 LEU H 1 30 PHE HB3 . . 5.930 5.745 5.010 5.941 0.011 15 0 "[ . 1 . 2]" 1
115 1 5 LEU H 1 31 SER HA . . 3.840 3.226 2.660 3.757 . 0 0 "[ . 1 . 2]" 1
116 1 5 LEU H 1 32 VAL H . . 4.340 4.119 3.887 4.344 0.004 18 0 "[ . 1 . 2]" 1
117 1 5 LEU H 1 32 VAL MG2 . . 7.030 4.380 4.142 4.645 . 0 0 "[ . 1 . 2]" 1
118 1 5 LEU HA 1 5 LEU MD1 . . 4.620 2.605 2.448 2.743 . 0 0 "[ . 1 . 2]" 1
119 1 5 LEU HA 1 6 TYR H . . 3.410 2.196 2.176 2.212 . 0 0 "[ . 1 . 2]" 1
120 1 5 LEU HA 1 51 LEU HA . . 4.600 2.641 2.269 2.972 . 0 0 "[ . 1 . 2]" 1
121 1 5 LEU HA 1 51 LEU MD1 . . 5.950 4.400 2.673 5.001 . 0 0 "[ . 1 . 2]" 1
122 1 5 LEU HA 1 51 LEU QD . . 5.320 3.002 2.373 3.542 . 0 0 "[ . 1 . 2]" 1
123 1 5 LEU HA 1 51 LEU MD2 . . 5.950 3.471 2.380 4.882 . 0 0 "[ . 1 . 2]" 1
124 1 5 LEU HA 1 52 ARG H . . 3.840 3.438 2.970 3.841 0.001 20 0 "[ . 1 . 2]" 1
125 1 5 LEU QB 1 6 TYR H . . 5.400 3.963 3.853 4.014 . 0 0 "[ . 1 . 2]" 1
126 1 5 LEU QB 1 29 PHE QD . . 9.000 3.679 3.359 4.074 . 0 0 "[ . 1 . 2]" 1
127 1 5 LEU QB 1 32 VAL H . . 5.910 5.047 4.870 5.134 . 0 0 "[ . 1 . 2]" 1
128 1 5 LEU QB 1 51 LEU QD . . 9.480 2.335 1.993 2.899 . 0 0 "[ . 1 . 2]" 1
129 1 5 LEU MD1 1 6 TYR H . . 4.830 3.382 3.137 3.603 . 0 0 "[ . 1 . 2]" 1
130 1 5 LEU MD1 1 7 GLN H . . 7.030 5.675 5.484 5.811 . 0 0 "[ . 1 . 2]" 1
131 1 5 LEU MD1 1 7 GLN QB . . 6.830 4.038 3.678 5.025 . 0 0 "[ . 1 . 2]" 1
132 1 5 LEU MD1 1 17 ALA MB . . 5.930 2.237 1.919 2.492 . 0 0 "[ . 1 . 2]" 1
133 1 5 LEU MD1 1 18 VAL HA . . 7.030 4.448 4.297 4.587 . 0 0 "[ . 1 . 2]" 1
134 1 5 LEU MD1 1 18 VAL MG1 . . 8.060 5.458 5.383 5.495 . 0 0 "[ . 1 . 2]" 1
135 1 5 LEU MD1 1 18 VAL MG2 . . 5.970 3.717 3.463 3.872 . 0 0 "[ . 1 . 2]" 1
136 1 5 LEU MD1 1 21 LEU MD1 . . 5.570 2.645 2.482 3.071 . 0 0 "[ . 1 . 2]" 1
137 1 5 LEU MD1 1 29 PHE QD . . 9.150 5.853 5.609 6.137 . 0 0 "[ . 1 . 2]" 1
138 1 5 LEU MD1 1 49 PRO HA . . 5.980 2.767 2.301 3.073 . 0 0 "[ . 1 . 2]" 1
139 1 5 LEU MD1 1 49 PRO HB2 . . 4.870 3.774 3.506 3.953 . 0 0 "[ . 1 . 2]" 1
140 1 5 LEU MD1 1 49 PRO QB . . 4.700 3.311 3.099 3.445 . 0 0 "[ . 1 . 2]" 1
141 1 5 LEU MD1 1 49 PRO HB3 . . 4.870 3.668 3.439 3.875 . 0 0 "[ . 1 . 2]" 1
142 1 5 LEU MD1 1 50 VAL H . . 5.230 3.288 2.806 3.724 . 0 0 "[ . 1 . 2]" 1
143 1 5 LEU MD1 1 51 LEU H . . 5.620 3.942 3.736 4.176 . 0 0 "[ . 1 . 2]" 1
144 1 5 LEU MD1 1 51 LEU HA . . 4.620 3.034 2.746 3.286 . 0 0 "[ . 1 . 2]" 1
145 1 5 LEU MD1 1 51 LEU QD . . 7.500 2.770 2.262 3.007 . 0 0 "[ . 1 . 2]" 1
146 1 5 LEU MD1 1 52 ARG H . . 7.030 4.731 4.395 4.978 . 0 0 "[ . 1 . 2]" 1
147 1 5 LEU MD1 1 63 PHE QE . . 8.500 3.929 3.704 4.089 . 0 0 "[ . 1 . 2]" 1
148 1 5 LEU MD1 1 63 PHE HZ . . 4.330 3.457 3.219 3.626 . 0 0 "[ . 1 . 2]" 1
149 1 5 LEU MD2 1 6 TYR H . . 6.020 4.970 4.649 5.077 . 0 0 "[ . 1 . 2]" 1
150 1 5 LEU MD2 1 7 GLN QB . . 5.820 3.422 3.212 4.199 . 0 0 "[ . 1 . 2]" 1
151 1 5 LEU MD2 1 7 GLN QG . . 6.860 3.934 2.737 4.882 . 0 0 "[ . 1 . 2]" 1
152 1 5 LEU MD2 1 17 ALA MB . . 6.760 2.722 2.352 2.980 . 0 0 "[ . 1 . 2]" 1
153 1 5 LEU MD2 1 18 VAL H . . 5.770 3.624 3.303 3.966 . 0 0 "[ . 1 . 2]" 1
154 1 5 LEU MD2 1 18 VAL HA . . 4.980 3.109 2.870 3.594 . 0 0 "[ . 1 . 2]" 1
155 1 5 LEU MD2 1 18 VAL HB . . 7.030 4.456 4.212 4.756 . 0 0 "[ . 1 . 2]" 1
156 1 5 LEU MD2 1 18 VAL MG2 . . 5.140 2.097 1.899 2.306 . 0 0 "[ . 1 . 2]" 1
157 1 5 LEU MD2 1 21 LEU MD1 . . 6.900 2.247 1.872 2.725 . 0 0 "[ . 1 . 2]" 1
158 1 5 LEU MD2 1 29 PHE QD . . 9.150 4.275 4.001 4.584 . 0 0 "[ . 1 . 2]" 1
159 1 5 LEU MD2 1 29 PHE QE . . 7.530 3.245 2.715 3.849 . 0 0 "[ . 1 . 2]" 1
160 1 5 LEU MD2 1 29 PHE HZ . . 5.800 3.622 3.045 4.246 . 0 0 "[ . 1 . 2]" 1
161 1 5 LEU MD2 1 49 PRO HA . . 7.030 4.721 4.379 4.948 . 0 0 "[ . 1 . 2]" 1
162 1 5 LEU MD2 1 50 VAL H . . 7.030 5.700 5.375 5.877 . 0 0 "[ . 1 . 2]" 1
163 1 5 LEU HG 1 6 TYR H . . 4.670 3.600 3.145 3.755 . 0 0 "[ . 1 . 2]" 1
164 1 5 LEU HG 1 7 GLN H . . 6.000 4.897 4.726 5.061 . 0 0 "[ . 1 . 2]" 1
165 1 5 LEU HG 1 7 GLN QB . . 5.190 3.252 2.912 4.391 . 0 0 "[ . 1 . 2]" 1
166 1 6 TYR H 1 6 TYR HB2 . . 4.160 2.232 2.051 2.398 . 0 0 "[ . 1 . 2]" 1
167 1 6 TYR H 1 7 GLN H . . 5.390 4.621 4.588 4.651 . 0 0 "[ . 1 . 2]" 1
168 1 6 TYR H 1 50 VAL H . . 4.700 3.245 2.979 3.520 . 0 0 "[ . 1 . 2]" 1
169 1 6 TYR H 1 50 VAL HB . . 5.600 4.149 3.902 4.326 . 0 0 "[ . 1 . 2]" 1
170 1 6 TYR H 1 50 VAL MG2 . . 7.030 5.383 5.235 5.512 . 0 0 "[ . 1 . 2]" 1
171 1 6 TYR H 1 51 LEU HA . . 4.880 4.005 3.591 4.365 . 0 0 "[ . 1 . 2]" 1
172 1 6 TYR HA 1 6 TYR HB3 . . 3.010 2.610 2.531 2.699 . 0 0 "[ . 1 . 2]" 1
173 1 6 TYR HA 1 7 GLN H . . 2.400 2.229 2.202 2.271 . 0 0 "[ . 1 . 2]" 1
174 1 6 TYR HA 1 32 VAL H . . 3.550 2.950 2.683 3.200 . 0 0 "[ . 1 . 2]" 1
175 1 6 TYR HB2 1 7 GLN H . . 4.490 4.257 4.079 4.385 . 0 0 "[ . 1 . 2]" 1
176 1 6 TYR HB2 1 34 ILE MD . . 7.030 5.694 5.610 5.750 . 0 0 "[ . 1 . 2]" 1
177 1 6 TYR HB2 1 34 ILE MG . . 5.620 3.522 3.326 3.816 . 0 0 "[ . 1 . 2]" 1
178 1 6 TYR HB2 1 48 VAL QG . . 6.820 3.732 3.528 3.973 . 0 0 "[ . 1 . 2]" 1
179 1 6 TYR HB2 1 50 VAL H . . 4.920 2.464 2.118 2.712 . 0 0 "[ . 1 . 2]" 1
180 1 6 TYR HB2 1 50 VAL HB . . 3.770 3.059 2.912 3.136 . 0 0 "[ . 1 . 2]" 1
181 1 6 TYR HB2 1 50 VAL MG1 . . 5.910 4.085 3.692 4.236 . 0 0 "[ . 1 . 2]" 1
182 1 6 TYR HB2 1 50 VAL MG2 . . 5.300 4.395 4.334 4.421 . 0 0 "[ . 1 . 2]" 1
183 1 6 TYR HB3 1 7 GLN H . . 3.910 3.280 3.092 3.429 . 0 0 "[ . 1 . 2]" 1
184 1 6 TYR HB3 1 34 ILE MG . . 4.470 2.193 2.039 2.518 . 0 0 "[ . 1 . 2]" 1
185 1 6 TYR HB3 1 48 VAL QG . . 5.780 3.284 2.887 3.610 . 0 0 "[ . 1 . 2]" 1
186 1 6 TYR HB3 1 50 VAL H . . 5.570 4.009 3.689 4.318 . 0 0 "[ . 1 . 2]" 1
187 1 6 TYR HB3 1 50 VAL HB . . 4.740 4.451 4.220 4.602 . 0 0 "[ . 1 . 2]" 1
188 1 6 TYR QD 1 7 GLN H . . 5.940 3.897 3.560 4.229 . 0 0 "[ . 1 . 2]" 1
189 1 6 TYR QD 1 32 VAL HB . . 7.060 2.794 2.031 3.415 . 0 0 "[ . 1 . 2]" 1
190 1 6 TYR QD 1 32 VAL MG1 . . 6.540 2.470 2.169 3.116 . 0 0 "[ . 1 . 2]" 1
191 1 6 TYR QD 1 32 VAL MG2 . . 9.170 4.140 3.535 4.588 . 0 0 "[ . 1 . 2]" 1
192 1 6 TYR QD 1 34 ILE HA . . 8.000 4.299 3.754 5.173 . 0 0 "[ . 1 . 2]" 1
193 1 6 TYR QD 1 34 ILE MG . . 6.830 2.351 1.834 3.181 . 0 0 "[ . 1 . 2]" 1
194 1 6 TYR QD 1 40 LEU MD1 . . 9.170 3.826 2.881 4.580 . 0 0 "[ . 1 . 2]" 1
195 1 6 TYR QD 1 40 LEU QD . . 8.680 3.569 2.822 4.129 . 0 0 "[ . 1 . 2]" 1
196 1 6 TYR QD 1 40 LEU MD2 . . 9.170 4.339 3.780 4.873 . 0 0 "[ . 1 . 2]" 1
197 1 6 TYR QD 1 44 TYR QD . . 9.130 4.071 3.680 4.494 . 0 0 "[ . 1 . 2]" 1
198 1 6 TYR QD 1 48 VAL QG . . 10.040 4.624 4.350 4.914 . 0 0 "[ . 1 . 2]" 1
199 1 6 TYR QD 1 50 VAL HB . . 6.990 2.705 2.189 3.102 . 0 0 "[ . 1 . 2]" 1
200 1 6 TYR QD 1 50 VAL MG1 . . 7.910 2.595 2.044 2.971 . 0 0 "[ . 1 . 2]" 1
201 1 6 TYR QD 1 50 VAL MG2 . . 9.170 4.255 3.822 4.587 . 0 0 "[ . 1 . 2]" 1
202 1 6 TYR QE 1 32 VAL HB . . 8.130 3.427 3.001 4.046 . 0 0 "[ . 1 . 2]" 1
203 1 6 TYR QE 1 32 VAL MG1 . . 6.780 2.295 1.945 2.649 . 0 0 "[ . 1 . 2]" 1
204 1 6 TYR QE 1 32 VAL MG2 . . 8.330 3.691 2.979 4.332 . 0 0 "[ . 1 . 2]" 1
205 1 6 TYR QE 1 34 ILE MG . . 9.160 3.869 3.176 4.669 . 0 0 "[ . 1 . 2]" 1
206 1 6 TYR QE 1 40 LEU MD1 . . 8.220 3.156 2.152 4.759 . 0 0 "[ . 1 . 2]" 1
207 1 6 TYR QE 1 40 LEU QD . . 7.620 2.817 2.026 3.952 . 0 0 "[ . 1 . 2]" 1
208 1 6 TYR QE 1 40 LEU MD2 . . 8.220 3.250 2.400 4.222 . 0 0 "[ . 1 . 2]" 1
209 1 6 TYR QE 1 50 VAL MG1 . . 9.090 3.222 2.452 3.788 . 0 0 "[ . 1 . 2]" 1
210 1 6 TYR QE 1 52 ARG HB2 . . 7.200 3.471 2.057 4.876 . 0 0 "[ . 1 . 2]" 1
211 1 6 TYR QE 1 52 ARG QB . . 7.090 2.706 2.030 3.716 . 0 0 "[ . 1 . 2]" 1
212 1 6 TYR QE 1 52 ARG HB3 . . 7.200 3.113 2.047 3.854 . 0 0 "[ . 1 . 2]" 1
213 1 6 TYR QE 1 52 ARG HD2 . . 6.330 3.330 2.132 5.270 . 0 0 "[ . 1 . 2]" 1
214 1 6 TYR QE 1 52 ARG HD3 . . 7.630 3.341 1.996 5.341 . 0 0 "[ . 1 . 2]" 1
215 1 7 GLN H 1 7 GLN QB . . 3.730 3.189 2.792 3.369 . 0 0 "[ . 1 . 2]" 1
216 1 7 GLN H 1 7 GLN HG2 . . 4.270 2.948 2.134 4.152 . 0 0 "[ . 1 . 2]" 1
217 1 7 GLN H 1 7 GLN QG . . 4.090 2.510 2.101 2.887 . 0 0 "[ . 1 . 2]" 1
218 1 7 GLN H 1 7 GLN HG3 . . 4.270 3.155 2.483 4.268 . 0 0 "[ . 1 . 2]" 1
219 1 7 GLN H 1 32 VAL H . . 3.880 3.614 3.424 3.855 . 0 0 "[ . 1 . 2]" 1
220 1 7 GLN H 1 32 VAL HB . . 5.210 4.367 4.174 4.489 . 0 0 "[ . 1 . 2]" 1
221 1 7 GLN H 1 32 VAL MG1 . . 5.840 4.495 4.225 4.742 . 0 0 "[ . 1 . 2]" 1
222 1 7 GLN H 1 32 VAL MG2 . . 6.560 5.461 5.351 5.504 . 0 0 "[ . 1 . 2]" 1
223 1 7 GLN H 1 33 PHE H . . 5.240 4.931 4.739 5.130 . 0 0 "[ . 1 . 2]" 1
224 1 7 GLN H 1 33 PHE HA . . 5.350 2.985 2.774 3.209 . 0 0 "[ . 1 . 2]" 1
225 1 7 GLN H 1 34 ILE H . . 4.670 3.546 3.320 3.805 . 0 0 "[ . 1 . 2]" 1
226 1 7 GLN H 1 34 ILE QG . . 6.880 4.464 4.301 4.630 . 0 0 "[ . 1 . 2]" 1
227 1 7 GLN H 1 34 ILE MG . . 4.110 3.213 3.092 3.306 . 0 0 "[ . 1 . 2]" 1
228 1 7 GLN HA 1 48 VAL HB . . 4.740 4.589 3.281 4.767 0.027 16 0 "[ . 1 . 2]" 1
229 1 7 GLN HA 1 48 VAL MG1 . . 5.440 1.900 1.864 1.929 . 0 0 "[ . 1 . 2]" 1
230 1 7 GLN HA 1 48 VAL QG . . 4.980 1.896 1.861 1.927 . 0 0 "[ . 1 . 2]" 1
231 1 7 GLN HA 1 48 VAL MG2 . . 5.440 3.888 3.606 4.522 . 0 0 "[ . 1 . 2]" 1
232 1 7 GLN HA 1 50 VAL H . . 6.000 5.304 4.980 5.573 . 0 0 "[ . 1 . 2]" 1
233 1 7 GLN QB 1 32 VAL H . . 6.880 5.054 4.609 5.304 . 0 0 "[ . 1 . 2]" 1
234 1 7 GLN QB 1 49 PRO HA . . 6.880 4.303 3.631 5.422 . 0 0 "[ . 1 . 2]" 1
235 1 8 ARG HA 1 9 ASP H . . 2.900 2.433 2.225 2.910 0.010 6 0 "[ . 1 . 2]" 1
236 1 8 ARG HA 1 33 PHE QD . . 8.090 3.134 2.018 4.510 . 0 0 "[ . 1 . 2]" 1
237 1 8 ARG HA 1 34 ILE H . . 4.310 3.807 2.924 4.309 . 0 0 "[ . 1 . 2]" 1
238 1 8 ARG HA 1 35 ASP H . . 4.740 3.964 3.148 4.745 0.005 17 0 "[ . 1 . 2]" 1
239 1 8 ARG QB 1 9 ASP H . . 4.290 3.245 2.039 3.936 . 0 0 "[ . 1 . 2]" 1
240 1 8 ARG QB 1 48 VAL QG . . 8.090 2.744 1.792 3.724 . 0 0 "[ . 1 . 2]" 1
241 1 8 ARG HB2 1 9 ASP H . . 4.490 3.509 2.051 4.530 0.040 16 0 "[ . 1 . 2]" 1
242 1 8 ARG HB2 1 48 VAL MG1 . . 10.150 4.065 1.957 5.229 . 0 0 "[ . 1 . 2]" 1
243 1 8 ARG HB2 1 48 VAL MG2 . . 10.150 3.984 2.113 5.231 . 0 0 "[ . 1 . 2]" 1
244 1 8 ARG HB3 1 9 ASP H . . 4.490 4.136 3.071 4.522 0.032 2 0 "[ . 1 . 2]" 1
245 1 8 ARG HB3 1 48 VAL MG1 . . 10.150 3.436 2.440 4.679 . 0 0 "[ . 1 . 2]" 1
246 1 8 ARG HB3 1 48 VAL MG2 . . 10.150 3.418 1.943 4.475 . 0 0 "[ . 1 . 2]" 1
247 1 8 ARG QD 1 48 VAL QG . . 7.870 3.138 1.860 4.310 . 0 0 "[ . 1 . 2]" 1
248 1 8 ARG HD2 1 48 VAL MG1 . . 9.680 4.690 3.389 6.515 . 0 0 "[ . 1 . 2]" 1
249 1 8 ARG HD2 1 48 VAL MG2 . . 9.680 4.184 2.253 5.976 . 0 0 "[ . 1 . 2]" 1
250 1 8 ARG HD3 1 48 VAL MG1 . . 9.680 4.267 1.973 5.516 . 0 0 "[ . 1 . 2]" 1
251 1 8 ARG HD3 1 48 VAL MG2 . . 9.680 3.741 2.327 5.361 . 0 0 "[ . 1 . 2]" 1
252 1 8 ARG QG 1 34 ILE QG . . 7.100 3.097 1.806 4.957 . 0 0 "[ . 1 . 2]" 1
253 1 8 ARG QG 1 48 VAL QG . . 8.280 2.628 1.721 4.669 . 0 0 "[ . 1 . 2]" 1
254 1 8 ARG HG2 1 48 VAL MG1 . . 10.150 3.393 1.967 5.800 . 0 0 "[ . 1 . 2]" 1
255 1 8 ARG HG2 1 48 VAL MG2 . . 10.150 3.440 1.861 6.121 . 0 0 "[ . 1 . 2]" 1
256 1 8 ARG HG3 1 48 VAL MG1 . . 10.150 3.728 2.174 5.867 . 0 0 "[ . 1 . 2]" 1
257 1 8 ARG HG3 1 48 VAL MG2 . . 10.150 3.845 1.961 5.785 . 0 0 "[ . 1 . 2]" 1
258 1 9 ASP H 1 9 ASP QB . . 3.590 2.790 2.089 3.170 . 0 0 "[ . 1 . 2]" 1
259 1 10 ASP H 1 10 ASP HB2 . . 3.230 2.608 2.081 3.261 0.031 17 0 "[ . 1 . 2]" 1
260 1 10 ASP H 1 10 ASP HB3 . . 3.800 3.111 2.177 3.796 . 0 0 "[ . 1 . 2]" 1
261 1 10 ASP H 1 11 CYS H . . 4.490 4.320 3.469 4.506 0.016 6 0 "[ . 1 . 2]" 1
262 1 10 ASP HA 1 10 ASP HB2 . . 2.830 2.651 2.361 2.899 0.069 17 0 "[ . 1 . 2]" 1
263 1 10 ASP HA 1 11 CYS H . . 2.800 2.332 2.252 2.826 0.026 19 0 "[ . 1 . 2]" 1
264 1 10 ASP HB2 1 11 CYS H . . 5.680 4.333 3.632 4.727 . 0 0 "[ . 1 . 2]" 1
265 1 10 ASP HB3 1 11 CYS H . . 4.880 3.955 2.525 4.502 . 0 0 "[ . 1 . 2]" 1
266 1 13 LEU H 1 13 LEU MD1 . . 5.770 3.785 3.258 4.344 . 0 0 "[ . 1 . 2]" 1
267 1 13 LEU H 1 13 LEU HG . . 5.240 4.433 4.357 4.514 . 0 0 "[ . 1 . 2]" 1
268 1 13 LEU H 1 14 CYS H . . 4.490 2.719 2.392 2.924 . 0 0 "[ . 1 . 2]" 1
269 1 13 LEU HA 1 13 LEU MD1 . . 3.900 2.386 1.971 3.197 . 0 0 "[ . 1 . 2]" 1
270 1 13 LEU HA 1 16 GLN H . . 4.490 3.598 3.204 3.835 . 0 0 "[ . 1 . 2]" 1
271 1 13 LEU HA 1 16 GLN QE . . 5.900 4.015 2.786 4.907 . 0 0 "[ . 1 . 2]" 1
272 1 13 LEU HA 1 16 GLN HG3 . . 6.000 4.245 3.595 4.820 . 0 0 "[ . 1 . 2]" 1
273 1 13 LEU MD1 1 14 CYS H . . 7.030 4.893 4.709 5.104 . 0 0 "[ . 1 . 2]" 1
274 1 13 LEU MD1 1 16 GLN HE21 . . 6.560 4.223 3.630 4.774 . 0 0 "[ . 1 . 2]" 1
275 1 13 LEU MD1 1 16 GLN QE . . 6.320 3.960 3.481 4.405 . 0 0 "[ . 1 . 2]" 1
276 1 13 LEU MD1 1 16 GLN HE22 . . 6.560 4.840 4.314 5.171 . 0 0 "[ . 1 . 2]" 1
277 1 13 LEU MD1 1 61 TRP HD1 . . 5.260 4.128 4.061 4.246 . 0 0 "[ . 1 . 2]" 1
278 1 13 LEU MD1 1 61 TRP HE1 . . 3.610 2.122 1.936 2.470 . 0 0 "[ . 1 . 2]" 1
279 1 13 LEU MD1 1 61 TRP HZ2 . . 5.050 1.929 1.783 2.339 . 0 0 "[ . 1 . 2]" 1
280 1 13 LEU MD2 1 14 CYS H . . 7.030 4.272 3.540 4.698 . 0 0 "[ . 1 . 2]" 1
281 1 13 LEU MD2 1 49 PRO HD2 . . 5.770 3.298 2.369 4.293 . 0 0 "[ . 1 . 2]" 1
282 1 13 LEU MD2 1 49 PRO QD . . 5.630 2.748 1.866 3.671 . 0 0 "[ . 1 . 2]" 1
283 1 13 LEU MD2 1 49 PRO HD3 . . 5.770 2.956 1.953 3.987 . 0 0 "[ . 1 . 2]" 1
284 1 13 LEU MD2 1 61 TRP HD1 . . 5.300 3.716 3.137 4.184 . 0 0 "[ . 1 . 2]" 1
285 1 13 LEU MD2 1 61 TRP HE1 . . 5.370 3.176 2.675 3.659 . 0 0 "[ . 1 . 2]" 1
286 1 13 LEU HG 1 14 CYS H . . 6.000 4.455 4.108 4.707 . 0 0 "[ . 1 . 2]" 1
287 1 14 CYS H 1 15 ASP H . . 3.980 2.481 2.388 2.778 . 0 0 "[ . 1 . 2]" 1
288 1 14 CYS HA 1 17 ALA H . . 4.340 3.154 2.928 3.283 . 0 0 "[ . 1 . 2]" 1
289 1 14 CYS HA 1 17 ALA MB . . 3.790 2.274 2.003 2.687 . 0 0 "[ . 1 . 2]" 1
290 1 14 CYS HA 1 18 VAL MG2 . . 5.480 4.108 3.855 4.371 . 0 0 "[ . 1 . 2]" 1
291 1 14 CYS HA 1 49 PRO HB2 . . 6.000 4.036 3.508 4.680 . 0 0 "[ . 1 . 2]" 1
292 1 14 CYS HA 1 49 PRO QB . . 5.350 2.646 1.989 3.275 . 0 0 "[ . 1 . 2]" 1
293 1 14 CYS HA 1 49 PRO HB3 . . 6.000 2.688 1.999 3.362 . 0 0 "[ . 1 . 2]" 1
294 1 14 CYS HA 1 49 PRO QG . . 5.300 3.989 3.297 4.608 . 0 0 "[ . 1 . 2]" 1
295 1 14 CYS QB 1 15 ASP H . . 4.110 2.844 2.546 3.725 . 0 0 "[ . 1 . 2]" 1
296 1 14 CYS QB 1 17 ALA MB . . 7.260 3.725 3.061 4.046 . 0 0 "[ . 1 . 2]" 1
297 1 14 CYS HB2 1 15 ASP H . . 4.630 3.533 2.599 4.203 . 0 0 "[ . 1 . 2]" 1
298 1 14 CYS HB3 1 15 ASP H . . 4.630 3.358 2.625 4.161 . 0 0 "[ . 1 . 2]" 1
299 1 15 ASP H 1 15 ASP HB2 . . 3.840 2.259 2.002 3.520 . 0 0 "[ . 1 . 2]" 1
300 1 15 ASP H 1 15 ASP QB . . 3.490 2.145 1.982 2.472 . 0 0 "[ . 1 . 2]" 1
301 1 15 ASP H 1 15 ASP HB3 . . 3.840 3.064 2.300 3.549 . 0 0 "[ . 1 . 2]" 1
302 1 15 ASP H 1 16 GLN H . . 3.340 2.833 2.698 2.912 . 0 0 "[ . 1 . 2]" 1
303 1 15 ASP H 1 17 ALA H . . 4.920 3.945 3.669 4.178 . 0 0 "[ . 1 . 2]" 1
304 1 15 ASP H 1 18 VAL H . . 6.000 4.729 4.607 4.932 . 0 0 "[ . 1 . 2]" 1
305 1 15 ASP HA 1 18 VAL H . . 3.700 3.412 3.295 3.554 . 0 0 "[ . 1 . 2]" 1
306 1 15 ASP HA 1 18 VAL HB . . 3.550 2.940 2.712 3.185 . 0 0 "[ . 1 . 2]" 1
307 1 15 ASP HA 1 18 VAL MG1 . . 7.030 4.284 4.076 4.490 . 0 0 "[ . 1 . 2]" 1
308 1 15 ASP HA 1 18 VAL MG2 . . 4.580 3.053 2.791 3.424 . 0 0 "[ . 1 . 2]" 1
309 1 15 ASP QB 1 16 GLN HA . . 4.830 3.723 3.543 4.316 . 0 0 "[ . 1 . 2]" 1
310 1 15 ASP QB 1 16 GLN HG2 . . 6.880 4.342 3.996 5.236 . 0 0 "[ . 1 . 2]" 1
311 1 15 ASP QB 1 16 GLN HG3 . . 6.560 3.924 3.551 4.899 . 0 0 "[ . 1 . 2]" 1
312 1 15 ASP HB2 1 16 GLN H . . 3.730 3.126 2.156 3.721 . 0 0 "[ . 1 . 2]" 1
313 1 15 ASP HB3 1 16 GLN H . . 3.730 2.776 2.220 3.657 . 0 0 "[ . 1 . 2]" 1
314 1 16 GLN H 1 16 GLN HB2 . . 3.800 2.128 2.081 2.187 . 0 0 "[ . 1 . 2]" 1
315 1 16 GLN H 1 16 GLN QB . . 3.570 2.109 2.063 2.165 . 0 0 "[ . 1 . 2]" 1
316 1 16 GLN H 1 16 GLN HB3 . . 3.800 3.429 3.382 3.472 . 0 0 "[ . 1 . 2]" 1
317 1 16 GLN H 1 16 GLN HG2 . . 3.770 3.586 3.385 3.756 . 0 0 "[ . 1 . 2]" 1
318 1 16 GLN H 1 16 GLN HG3 . . 3.340 3.042 2.845 3.323 . 0 0 "[ . 1 . 2]" 1
319 1 16 GLN H 1 17 ALA H . . 3.160 2.655 2.502 2.713 . 0 0 "[ . 1 . 2]" 1
320 1 16 GLN H 1 18 VAL H . . 4.740 4.370 4.235 4.498 . 0 0 "[ . 1 . 2]" 1
321 1 16 GLN HA 1 16 GLN HB2 . . 2.980 2.983 2.961 3.008 0.028 19 0 "[ . 1 . 2]" 1
322 1 16 GLN HA 1 16 GLN HB3 . . 2.980 2.742 2.693 2.780 . 0 0 "[ . 1 . 2]" 1
323 1 16 GLN HA 1 16 GLN HG2 . . 4.060 2.064 1.995 2.170 . 0 0 "[ . 1 . 2]" 1
324 1 16 GLN HA 1 16 GLN HG3 . . 3.980 3.076 2.898 3.216 . 0 0 "[ . 1 . 2]" 1
325 1 16 GLN HA 1 19 GLU H . . 3.840 3.335 3.195 3.410 . 0 0 "[ . 1 . 2]" 1
326 1 16 GLN HA 1 19 GLU HB2 . . 4.490 2.396 2.208 2.461 . 0 0 "[ . 1 . 2]" 1
327 1 16 GLN HA 1 19 GLU QB . . 4.070 2.346 2.169 2.420 . 0 0 "[ . 1 . 2]" 1
328 1 16 GLN HA 1 19 GLU HB3 . . 4.490 3.358 3.039 3.579 . 0 0 "[ . 1 . 2]" 1
329 1 16 GLN HA 1 19 GLU HG2 . . 5.060 5.028 4.861 5.072 0.012 16 0 "[ . 1 . 2]" 1
330 1 16 GLN HA 1 19 GLU HG3 . . 5.060 4.266 3.757 5.016 . 0 0 "[ . 1 . 2]" 1
331 1 16 GLN HA 1 20 ALA H . . 5.570 4.270 3.901 4.517 . 0 0 "[ . 1 . 2]" 1
332 1 16 GLN HA 1 61 TRP HH2 . . 6.000 4.544 4.370 4.668 . 0 0 "[ . 1 . 2]" 1
333 1 16 GLN QB 1 17 ALA H . . 4.010 2.954 2.803 3.103 . 0 0 "[ . 1 . 2]" 1
334 1 16 GLN QB 1 17 ALA HA . . 5.010 3.906 3.824 3.973 . 0 0 "[ . 1 . 2]" 1
335 1 16 GLN QB 1 61 TRP HE1 . . 6.880 6.118 5.932 6.182 . 0 0 "[ . 1 . 2]" 1
336 1 16 GLN QB 1 61 TRP HE3 . . 6.880 5.459 5.223 5.742 . 0 0 "[ . 1 . 2]" 1
337 1 16 GLN QB 1 61 TRP HH2 . . 4.530 1.953 1.797 2.131 . 0 0 "[ . 1 . 2]" 1
338 1 16 GLN HB2 1 17 ALA H . . 4.420 3.153 3.020 3.344 . 0 0 "[ . 1 . 2]" 1
339 1 16 GLN HB2 1 61 TRP HH2 . . 4.960 2.201 1.996 2.507 . 0 0 "[ . 1 . 2]" 1
340 1 16 GLN HB2 1 61 TRP HZ2 . . 6.000 3.968 3.757 4.147 . 0 0 "[ . 1 . 2]" 1
341 1 16 GLN HB3 1 17 ALA H . . 4.420 3.569 3.322 3.804 . 0 0 "[ . 1 . 2]" 1
342 1 16 GLN HB3 1 61 TRP HH2 . . 4.960 2.200 2.019 2.345 . 0 0 "[ . 1 . 2]" 1
343 1 16 GLN HB3 1 61 TRP HZ2 . . 6.000 4.262 4.039 4.390 . 0 0 "[ . 1 . 2]" 1
344 1 16 GLN QE 1 16 GLN HG3 . . 3.370 2.199 2.085 2.437 . 0 0 "[ . 1 . 2]" 1
345 1 16 GLN HE21 1 16 GLN HG3 . . 3.620 2.224 2.103 2.478 . 0 0 "[ . 1 . 2]" 1
346 1 16 GLN HE22 1 16 GLN HG3 . . 3.620 3.495 3.446 3.604 . 0 0 "[ . 1 . 2]" 1
347 1 16 GLN HG2 1 17 ALA H . . 6.000 5.056 4.988 5.143 . 0 0 "[ . 1 . 2]" 1
348 1 16 GLN HG2 1 61 TRP HH2 . . 5.100 4.700 4.467 4.944 . 0 0 "[ . 1 . 2]" 1
349 1 16 GLN HG3 1 17 ALA H . . 6.000 5.056 4.958 5.249 . 0 0 "[ . 1 . 2]" 1
350 1 17 ALA H 1 17 ALA MB . . 3.430 2.051 1.936 2.178 . 0 0 "[ . 1 . 2]" 1
351 1 17 ALA H 1 18 VAL H . . 3.370 2.605 2.536 2.767 . 0 0 "[ . 1 . 2]" 1
352 1 17 ALA H 1 18 VAL MG2 . . 5.520 4.035 3.838 4.284 . 0 0 "[ . 1 . 2]" 1
353 1 17 ALA H 1 19 GLU H . . 4.380 3.823 3.733 3.934 . 0 0 "[ . 1 . 2]" 1
354 1 17 ALA H 1 20 ALA H . . 6.000 4.810 4.704 4.959 . 0 0 "[ . 1 . 2]" 1
355 1 17 ALA H 1 63 PHE QE . . 8.120 4.526 4.316 4.752 . 0 0 "[ . 1 . 2]" 1
356 1 17 ALA HA 1 20 ALA H . . 3.590 3.452 3.381 3.545 . 0 0 "[ . 1 . 2]" 1
357 1 17 ALA HA 1 20 ALA MB . . 3.820 2.932 2.767 3.050 . 0 0 "[ . 1 . 2]" 1
358 1 17 ALA HA 1 21 LEU H . . 4.810 4.377 4.255 4.544 . 0 0 "[ . 1 . 2]" 1
359 1 17 ALA HA 1 61 TRP HE3 . . 5.780 4.090 3.950 4.337 . 0 0 "[ . 1 . 2]" 1
360 1 17 ALA HA 1 61 TRP HZ3 . . 4.060 2.283 2.109 2.565 . 0 0 "[ . 1 . 2]" 1
361 1 17 ALA HA 1 63 PHE QE . . 7.150 2.028 1.988 2.159 . 0 0 "[ . 1 . 2]" 1
362 1 17 ALA HA 1 68 LEU MD2 . . 7.030 5.515 5.183 5.728 . 0 0 "[ . 1 . 2]" 1
363 1 17 ALA MB 1 18 VAL H . . 3.790 2.526 2.380 2.710 . 0 0 "[ . 1 . 2]" 1
364 1 17 ALA MB 1 19 GLU H . . 7.030 4.360 4.314 4.449 . 0 0 "[ . 1 . 2]" 1
365 1 17 ALA MB 1 20 ALA MB . . 6.800 4.085 4.014 4.166 . 0 0 "[ . 1 . 2]" 1
366 1 17 ALA MB 1 21 LEU MD1 . . 8.060 3.499 3.233 3.856 . 0 0 "[ . 1 . 2]" 1
367 1 17 ALA MB 1 49 PRO HB2 . . 5.550 2.938 2.284 3.566 . 0 0 "[ . 1 . 2]" 1
368 1 17 ALA MB 1 49 PRO QB . . 5.320 2.614 2.007 3.108 . 0 0 "[ . 1 . 2]" 1
369 1 17 ALA MB 1 49 PRO HB3 . . 5.550 2.938 2.224 3.430 . 0 0 "[ . 1 . 2]" 1
370 1 17 ALA MB 1 49 PRO QG . . 7.220 4.063 3.462 4.604 . 0 0 "[ . 1 . 2]" 1
371 1 17 ALA MB 1 61 TRP HE3 . . 5.520 2.836 2.503 3.096 . 0 0 "[ . 1 . 2]" 1
372 1 17 ALA MB 1 61 TRP HZ3 . . 5.370 2.040 1.913 2.189 . 0 0 "[ . 1 . 2]" 1
373 1 17 ALA MB 1 63 PHE QD . . 9.150 4.882 4.711 5.015 . 0 0 "[ . 1 . 2]" 1
374 1 17 ALA MB 1 63 PHE QE . . 7.280 3.031 2.849 3.211 . 0 0 "[ . 1 . 2]" 1
375 1 17 ALA MB 1 63 PHE HZ . . 4.690 2.124 1.966 2.386 . 0 0 "[ . 1 . 2]" 1
376 1 18 VAL H 1 18 VAL HB . . 2.900 2.393 2.299 2.483 . 0 0 "[ . 1 . 2]" 1
377 1 18 VAL H 1 18 VAL MG2 . . 3.430 2.093 1.928 2.339 . 0 0 "[ . 1 . 2]" 1
378 1 18 VAL H 1 19 GLU H . . 2.800 2.655 2.565 2.734 . 0 0 "[ . 1 . 2]" 1
379 1 18 VAL H 1 19 GLU HA . . 6.000 5.158 5.087 5.223 . 0 0 "[ . 1 . 2]" 1
380 1 18 VAL H 1 19 GLU QB . . 6.880 4.288 4.208 4.360 . 0 0 "[ . 1 . 2]" 1
381 1 18 VAL H 1 20 ALA H . . 4.490 4.421 4.352 4.487 . 0 0 "[ . 1 . 2]" 1
382 1 18 VAL H 1 21 LEU MD1 . . 7.030 4.425 4.150 4.607 . 0 0 "[ . 1 . 2]" 1
383 1 18 VAL HA 1 18 VAL MG1 . . 3.610 2.427 2.314 2.552 . 0 0 "[ . 1 . 2]" 1
384 1 18 VAL HA 1 18 VAL MG2 . . 3.720 2.345 2.236 2.454 . 0 0 "[ . 1 . 2]" 1
385 1 18 VAL HA 1 21 LEU H . . 3.550 3.278 3.208 3.336 . 0 0 "[ . 1 . 2]" 1
386 1 18 VAL HA 1 21 LEU HB2 . . 3.440 2.285 2.212 2.375 . 0 0 "[ . 1 . 2]" 1
387 1 18 VAL HA 1 21 LEU HB3 . . 4.700 3.624 3.468 3.787 . 0 0 "[ . 1 . 2]" 1
388 1 18 VAL HA 1 21 LEU MD1 . . 4.040 2.575 2.303 2.820 . 0 0 "[ . 1 . 2]" 1
389 1 18 VAL HA 1 21 LEU MD2 . . 5.950 4.704 4.493 4.832 . 0 0 "[ . 1 . 2]" 1
390 1 18 VAL HA 1 21 LEU HG . . 4.850 4.448 4.140 4.631 . 0 0 "[ . 1 . 2]" 1
391 1 18 VAL HA 1 22 ALA H . . 5.390 3.954 3.749 4.224 . 0 0 "[ . 1 . 2]" 1
392 1 18 VAL HA 1 29 PHE HZ . . 5.240 4.352 3.890 4.693 . 0 0 "[ . 1 . 2]" 1
393 1 18 VAL HB 1 19 GLU H . . 3.410 2.824 2.752 2.866 . 0 0 "[ . 1 . 2]" 1
394 1 18 VAL HB 1 22 ALA MB . . 7.030 5.112 4.833 5.364 . 0 0 "[ . 1 . 2]" 1
395 1 18 VAL MG1 1 19 GLU H . . 4.980 3.621 3.387 3.748 . 0 0 "[ . 1 . 2]" 1
396 1 18 VAL MG1 1 19 GLU HA . . 5.590 3.592 3.279 3.785 . 0 0 "[ . 1 . 2]" 1
397 1 18 VAL MG1 1 19 GLU QG . . 7.510 4.574 4.283 4.738 . 0 0 "[ . 1 . 2]" 1
398 1 18 VAL MG1 1 21 LEU MD1 . . 8.060 3.708 3.503 4.005 . 0 0 "[ . 1 . 2]" 1
399 1 18 VAL MG1 1 22 ALA H . . 7.030 3.536 3.298 3.689 . 0 0 "[ . 1 . 2]" 1
400 1 18 VAL MG1 1 22 ALA MB . . 7.410 3.128 2.801 3.399 . 0 0 "[ . 1 . 2]" 1
401 1 18 VAL MG1 1 29 PHE QE . . 8.030 3.627 3.033 4.036 . 0 0 "[ . 1 . 2]" 1
402 1 18 VAL MG1 1 29 PHE HZ . . 4.510 2.834 2.244 3.293 . 0 0 "[ . 1 . 2]" 1
403 1 18 VAL MG2 1 19 GLU H . . 5.190 3.950 3.870 4.054 . 0 0 "[ . 1 . 2]" 1
404 1 18 VAL MG2 1 21 LEU MD1 . . 6.510 3.336 3.065 3.495 . 0 0 "[ . 1 . 2]" 1
405 1 18 VAL MG2 1 29 PHE QD . . 9.150 5.551 5.174 5.833 . 0 0 "[ . 1 . 2]" 1
406 1 18 VAL MG2 1 29 PHE HZ . . 4.400 3.352 3.103 3.487 . 0 0 "[ . 1 . 2]" 1
407 1 19 GLU H 1 19 GLU HB2 . . 3.080 2.034 2.022 2.046 . 0 0 "[ . 1 . 2]" 1
408 1 19 GLU H 1 19 GLU QB . . 2.880 2.008 1.999 2.017 . 0 0 "[ . 1 . 2]" 1
409 1 19 GLU H 1 19 GLU HB3 . . 3.080 3.105 3.063 3.149 0.069 13 0 "[ . 1 . 2]" 1
410 1 19 GLU H 1 19 GLU HG2 . . 4.420 4.117 3.894 4.538 0.118 8 0 "[ . 1 . 2]" 1
411 1 19 GLU H 1 19 GLU QG . . 4.240 3.554 3.514 3.596 . 0 0 "[ . 1 . 2]" 1
412 1 19 GLU H 1 19 GLU HG3 . . 4.420 3.945 3.759 4.078 . 0 0 "[ . 1 . 2]" 1
413 1 19 GLU H 1 20 ALA H . . 3.050 2.796 2.751 2.837 . 0 0 "[ . 1 . 2]" 1
414 1 19 GLU H 1 20 ALA MB . . 5.800 4.331 4.242 4.388 . 0 0 "[ . 1 . 2]" 1
415 1 19 GLU HA 1 19 GLU HB2 . . 2.940 2.798 2.777 2.823 . 0 0 "[ . 1 . 2]" 1
416 1 19 GLU HA 1 19 GLU HB3 . . 2.940 2.949 2.931 2.964 0.024 10 0 "[ . 1 . 2]" 1
417 1 19 GLU HA 1 19 GLU HG2 . . 3.300 2.309 1.980 2.986 . 0 0 "[ . 1 . 2]" 1
418 1 19 GLU HA 1 19 GLU QG . . 3.090 1.994 1.963 2.173 . 0 0 "[ . 1 . 2]" 1
419 1 19 GLU HA 1 19 GLU HG3 . . 3.300 2.876 2.026 3.306 0.006 18 0 "[ . 1 . 2]" 1
420 1 19 GLU HA 1 21 LEU H . . 4.310 4.301 4.264 4.320 0.010 10 0 "[ . 1 . 2]" 1
421 1 19 GLU HA 1 22 ALA MB . . 3.680 2.830 2.675 2.941 . 0 0 "[ . 1 . 2]" 1
422 1 19 GLU HA 1 23 GLN H . . 4.670 3.842 3.568 3.987 . 0 0 "[ . 1 . 2]" 1
423 1 19 GLU QB 1 20 ALA H . . 3.810 2.541 2.507 2.624 . 0 0 "[ . 1 . 2]" 1
424 1 19 GLU QB 1 23 GLN QE . . 7.740 4.237 3.727 5.294 . 0 0 "[ . 1 . 2]" 1
425 1 19 GLU HB2 1 20 ALA H . . 3.980 3.259 3.198 3.338 . 0 0 "[ . 1 . 2]" 1
426 1 19 GLU HB3 1 20 ALA H . . 3.980 2.652 2.598 2.745 . 0 0 "[ . 1 . 2]" 1
427 1 19 GLU QG 1 20 ALA H . . 5.830 4.396 4.295 4.494 . 0 0 "[ . 1 . 2]" 1
428 1 19 GLU QG 1 23 GLN QE . . 6.810 4.117 3.234 4.912 . 0 0 "[ . 1 . 2]" 1
429 1 19 GLU HG2 1 20 ALA H . . 6.000 4.815 4.670 4.900 . 0 0 "[ . 1 . 2]" 1
430 1 19 GLU HG2 1 22 ALA MB . . 7.030 4.110 3.756 4.758 . 0 0 "[ . 1 . 2]" 1
431 1 19 GLU HG2 1 23 GLN HE21 . . 7.730 4.509 3.332 5.491 . 0 0 "[ . 1 . 2]" 1
432 1 19 GLU HG2 1 23 GLN HE22 . . 7.730 6.026 4.934 6.875 . 0 0 "[ . 1 . 2]" 1
433 1 19 GLU HG3 1 20 ALA H . . 6.000 5.080 4.904 5.226 . 0 0 "[ . 1 . 2]" 1
434 1 19 GLU HG3 1 22 ALA MB . . 7.030 4.883 3.933 5.372 . 0 0 "[ . 1 . 2]" 1
435 1 19 GLU HG3 1 23 GLN HE21 . . 7.730 5.348 4.803 6.151 . 0 0 "[ . 1 . 2]" 1
436 1 19 GLU HG3 1 23 GLN HE22 . . 7.730 6.772 6.377 7.268 . 0 0 "[ . 1 . 2]" 1
437 1 20 ALA H 1 21 LEU H . . 2.980 2.694 2.634 2.754 . 0 0 "[ . 1 . 2]" 1
438 1 20 ALA H 1 23 GLN H . . 4.920 4.623 4.538 4.683 . 0 0 "[ . 1 . 2]" 1
439 1 20 ALA H 1 68 LEU MD2 . . 7.030 4.994 4.701 5.179 . 0 0 "[ . 1 . 2]" 1
440 1 20 ALA HA 1 23 GLN H . . 3.550 3.472 3.370 3.548 . 0 0 "[ . 1 . 2]" 1
441 1 20 ALA HA 1 23 GLN HB2 . . 3.340 2.261 2.167 2.337 . 0 0 "[ . 1 . 2]" 1
442 1 20 ALA HA 1 23 GLN HB3 . . 3.880 3.741 3.661 3.833 . 0 0 "[ . 1 . 2]" 1
443 1 20 ALA HA 1 23 GLN HG2 . . 5.960 4.762 4.601 4.951 . 0 0 "[ . 1 . 2]" 1
444 1 20 ALA HA 1 23 GLN HG3 . . 4.850 3.382 3.166 3.669 . 0 0 "[ . 1 . 2]" 1
445 1 20 ALA MB 1 21 LEU H . . 3.430 2.682 2.602 2.800 . 0 0 "[ . 1 . 2]" 1
446 1 20 ALA MB 1 21 LEU HA . . 4.870 3.818 3.750 3.876 . 0 0 "[ . 1 . 2]" 1
447 1 20 ALA MB 1 21 LEU MD1 . . 8.060 4.440 4.120 4.661 . 0 0 "[ . 1 . 2]" 1
448 1 20 ALA MB 1 23 GLN HB2 . . 7.030 3.891 3.791 3.972 . 0 0 "[ . 1 . 2]" 1
449 1 20 ALA MB 1 23 GLN HB3 . . 7.030 4.991 4.870 5.107 . 0 0 "[ . 1 . 2]" 1
450 1 20 ALA MB 1 51 LEU QD . . 9.630 4.238 3.973 4.673 . 0 0 "[ . 1 . 2]" 1
451 1 20 ALA MB 1 61 TRP HZ3 . . 6.850 4.454 4.198 4.665 . 0 0 "[ . 1 . 2]" 1
452 1 20 ALA MB 1 63 PHE QD . . 7.390 2.886 2.634 3.020 . 0 0 "[ . 1 . 2]" 1
453 1 20 ALA MB 1 63 PHE QE . . 6.850 2.663 2.268 2.848 . 0 0 "[ . 1 . 2]" 1
454 1 20 ALA MB 1 64 ASP HA . . 4.620 3.565 3.402 3.739 . 0 0 "[ . 1 . 2]" 1
455 1 20 ALA MB 1 65 ALA H . . 5.440 4.298 4.203 4.385 . 0 0 "[ . 1 . 2]" 1
456 1 20 ALA MB 1 68 LEU MD2 . . 5.460 2.839 2.575 3.072 . 0 0 "[ . 1 . 2]" 1
457 1 21 LEU H 1 21 LEU HB2 . . 3.440 2.024 1.999 2.053 . 0 0 "[ . 1 . 2]" 1
458 1 21 LEU H 1 21 LEU HB3 . . 3.590 3.326 3.280 3.370 . 0 0 "[ . 1 . 2]" 1
459 1 21 LEU H 1 21 LEU MD1 . . 4.440 3.496 3.197 3.666 . 0 0 "[ . 1 . 2]" 1
460 1 21 LEU H 1 21 LEU MD2 . . 5.190 4.224 4.055 4.330 . 0 0 "[ . 1 . 2]" 1
461 1 21 LEU H 1 21 LEU HG . . 3.410 3.302 3.102 3.421 0.011 12 0 "[ . 1 . 2]" 1
462 1 21 LEU H 1 22 ALA H . . 2.940 2.816 2.751 2.865 . 0 0 "[ . 1 . 2]" 1
463 1 21 LEU H 1 22 ALA MB . . 5.410 4.306 4.237 4.403 . 0 0 "[ . 1 . 2]" 1
464 1 21 LEU H 1 23 GLN H . . 4.990 4.030 3.929 4.097 . 0 0 "[ . 1 . 2]" 1
465 1 21 LEU H 1 24 ALA H . . 4.960 4.529 4.450 4.648 . 0 0 "[ . 1 . 2]" 1
466 1 21 LEU H 1 68 LEU MD2 . . 4.360 3.391 3.034 3.549 . 0 0 "[ . 1 . 2]" 1
467 1 21 LEU HA 1 21 LEU MD1 . . 4.620 3.710 3.596 3.780 . 0 0 "[ . 1 . 2]" 1
468 1 21 LEU HA 1 21 LEU MD2 . . 3.570 2.499 2.086 2.837 . 0 0 "[ . 1 . 2]" 1
469 1 21 LEU HA 1 21 LEU HG . . 3.010 2.343 2.178 2.520 . 0 0 "[ . 1 . 2]" 1
470 1 21 LEU HA 1 24 ALA H . . 4.450 3.415 3.353 3.504 . 0 0 "[ . 1 . 2]" 1
471 1 21 LEU HA 1 24 ALA MB . . 4.110 2.709 2.525 2.909 . 0 0 "[ . 1 . 2]" 1
472 1 21 LEU HA 1 25 ARG H . . 4.780 4.618 4.493 4.782 0.002 13 0 "[ . 1 . 2]" 1
473 1 21 LEU HA 1 26 ALA H . . 3.770 3.760 3.717 3.798 0.028 16 0 "[ . 1 . 2]" 1
474 1 21 LEU HA 1 26 ALA MB . . 4.000 3.010 2.810 3.188 . 0 0 "[ . 1 . 2]" 1
475 1 21 LEU HA 1 68 LEU MD2 . . 3.790 2.001 1.847 2.185 . 0 0 "[ . 1 . 2]" 1
476 1 21 LEU HB2 1 22 ALA H . . 3.440 2.834 2.744 2.972 . 0 0 "[ . 1 . 2]" 1
477 1 21 LEU HB3 1 22 ALA H . . 3.520 2.842 2.809 2.881 . 0 0 "[ . 1 . 2]" 1
478 1 21 LEU HB3 1 68 LEU MD2 . . 7.030 3.976 3.813 4.148 . 0 0 "[ . 1 . 2]" 1
479 1 21 LEU MD1 1 22 ALA H . . 6.020 4.486 4.407 4.604 . 0 0 "[ . 1 . 2]" 1
480 1 21 LEU MD1 1 26 ALA MB . . 7.160 3.826 3.672 4.020 . 0 0 "[ . 1 . 2]" 1
481 1 21 LEU MD1 1 29 PHE HB2 . . 7.030 4.908 4.421 5.400 . 0 0 "[ . 1 . 2]" 1
482 1 21 LEU MD1 1 29 PHE HB3 . . 7.030 4.763 4.078 5.301 . 0 0 "[ . 1 . 2]" 1
483 1 21 LEU MD1 1 29 PHE QD . . 8.360 3.777 3.147 4.303 . 0 0 "[ . 1 . 2]" 1
484 1 21 LEU MD1 1 29 PHE QE . . 7.420 3.257 2.618 3.718 . 0 0 "[ . 1 . 2]" 1
485 1 21 LEU MD1 1 51 LEU MD1 . . 7.620 2.237 1.874 3.042 . 0 0 "[ . 1 . 2]" 1
486 1 21 LEU MD1 1 51 LEU QD . . 7.010 1.949 1.813 2.160 . 0 0 "[ . 1 . 2]" 1
487 1 21 LEU MD1 1 51 LEU MD2 . . 7.620 2.473 1.839 2.947 . 0 0 "[ . 1 . 2]" 1
488 1 21 LEU MD1 1 68 LEU MD1 . . 8.060 3.684 3.155 4.113 . 0 0 "[ . 1 . 2]" 1
489 1 21 LEU MD1 1 68 LEU MD2 . . 6.360 3.428 3.170 3.615 . 0 0 "[ . 1 . 2]" 1
490 1 21 LEU MD2 1 22 ALA H . . 5.440 4.431 4.380 4.505 . 0 0 "[ . 1 . 2]" 1
491 1 21 LEU MD2 1 24 ALA MB . . 7.340 3.730 3.371 4.044 . 0 0 "[ . 1 . 2]" 1
492 1 21 LEU MD2 1 26 ALA H . . 4.800 3.408 3.228 3.618 . 0 0 "[ . 1 . 2]" 1
493 1 21 LEU MD2 1 26 ALA HA . . 6.420 3.980 3.849 4.144 . 0 0 "[ . 1 . 2]" 1
494 1 21 LEU MD2 1 26 ALA MB . . 5.100 1.702 1.637 1.770 . 0 0 "[ . 1 . 2]" 1
495 1 21 LEU MD2 1 27 GLY H . . 6.340 3.656 3.369 4.160 . 0 0 "[ . 1 . 2]" 1
496 1 21 LEU MD2 1 29 PHE HB2 . . 7.030 4.845 4.363 5.283 . 0 0 "[ . 1 . 2]" 1
497 1 21 LEU MD2 1 29 PHE HB3 . . 6.880 4.081 3.574 4.465 . 0 0 "[ . 1 . 2]" 1
498 1 21 LEU MD2 1 29 PHE QD . . 8.470 3.124 2.389 3.583 . 0 0 "[ . 1 . 2]" 1
499 1 21 LEU MD2 1 29 PHE QE . . 9.150 3.328 2.649 3.928 . 0 0 "[ . 1 . 2]" 1
500 1 21 LEU MD2 1 51 LEU HG . . 5.770 4.051 3.524 4.459 . 0 0 "[ . 1 . 2]" 1
501 1 21 LEU MD2 1 68 LEU MD1 . . 8.060 3.836 3.271 4.304 . 0 0 "[ . 1 . 2]" 1
502 1 21 LEU HG 1 22 ALA H . . 6.000 4.907 4.863 4.973 . 0 0 "[ . 1 . 2]" 1
503 1 21 LEU HG 1 63 PHE QE . . 8.120 5.272 5.042 5.714 . 0 0 "[ . 1 . 2]" 1
504 1 21 LEU HG 1 68 LEU MD2 . . 4.360 2.050 1.889 2.342 . 0 0 "[ . 1 . 2]" 1
505 1 22 ALA H 1 22 ALA MB . . 3.430 2.023 1.932 2.160 . 0 0 "[ . 1 . 2]" 1
506 1 22 ALA H 1 23 GLN H . . 3.120 2.779 2.696 2.801 . 0 0 "[ . 1 . 2]" 1
507 1 22 ALA H 1 24 ALA H . . 4.700 4.209 4.084 4.395 . 0 0 "[ . 1 . 2]" 1
508 1 22 ALA H 1 26 ALA H . . 6.000 5.028 5.001 5.062 . 0 0 "[ . 1 . 2]" 1
509 1 22 ALA HA 1 23 GLN HA . . 5.420 4.782 4.769 4.795 . 0 0 "[ . 1 . 2]" 1
510 1 22 ALA HA 1 25 ARG H . . 3.660 3.272 3.153 3.383 . 0 0 "[ . 1 . 2]" 1
511 1 22 ALA HA 1 26 ALA H . . 3.770 3.777 3.757 3.799 0.029 16 0 "[ . 1 . 2]" 1
512 1 22 ALA MB 1 23 GLN H . . 3.930 2.578 2.464 2.694 . 0 0 "[ . 1 . 2]" 1
513 1 22 ALA MB 1 23 GLN HA . . 7.030 3.711 3.655 3.813 . 0 0 "[ . 1 . 2]" 1
514 1 22 ALA MB 1 23 GLN HG2 . . 5.590 3.864 3.708 3.996 . 0 0 "[ . 1 . 2]" 1
515 1 22 ALA MB 1 23 GLN HG3 . . 6.340 4.112 3.916 4.251 . 0 0 "[ . 1 . 2]" 1
516 1 22 ALA MB 1 24 ALA H . . 5.770 4.549 4.462 4.704 . 0 0 "[ . 1 . 2]" 1
517 1 22 ALA MB 1 26 ALA H . . 7.030 5.154 5.140 5.178 . 0 0 "[ . 1 . 2]" 1
518 1 23 GLN H 1 23 GLN HA . . 2.690 2.744 2.735 2.755 0.065 3 0 "[ . 1 . 2]" 1
519 1 23 GLN H 1 23 GLN HB2 . . 3.050 2.244 2.209 2.324 . 0 0 "[ . 1 . 2]" 1
520 1 23 GLN H 1 23 GLN HB3 . . 3.410 3.498 3.482 3.525 0.115 5 0 "[ . 1 . 2]" 1
521 1 23 GLN H 1 23 GLN HG2 . . 3.260 3.085 2.931 3.170 . 0 0 "[ . 1 . 2]" 1
522 1 23 GLN H 1 23 GLN HG3 . . 3.010 2.916 2.754 2.980 . 0 0 "[ . 1 . 2]" 1
523 1 23 GLN H 1 24 ALA H . . 2.830 2.770 2.702 2.837 0.007 16 0 "[ . 1 . 2]" 1
524 1 23 GLN H 1 24 ALA MB . . 6.270 4.343 4.295 4.428 . 0 0 "[ . 1 . 2]" 1
525 1 23 GLN H 1 25 ARG H . . 4.270 3.744 3.701 3.789 . 0 0 "[ . 1 . 2]" 1
526 1 23 GLN H 1 65 ALA MB . . 6.240 4.512 4.375 4.604 . 0 0 "[ . 1 . 2]" 1
527 1 23 GLN HA 1 23 GLN HB3 . . 2.720 2.664 2.614 2.693 . 0 0 "[ . 1 . 2]" 1
528 1 23 GLN HA 1 23 GLN HG2 . . 3.230 2.108 2.071 2.172 . 0 0 "[ . 1 . 2]" 1
529 1 23 GLN HA 1 23 GLN HG3 . . 3.410 3.356 3.317 3.403 . 0 0 "[ . 1 . 2]" 1
530 1 23 GLN HA 1 25 ARG H . . 4.490 3.642 3.507 3.750 . 0 0 "[ . 1 . 2]" 1
531 1 23 GLN HA 1 65 ALA MB . . 5.620 4.171 3.807 4.339 . 0 0 "[ . 1 . 2]" 1
532 1 23 GLN HB2 1 23 GLN HG3 . . 2.760 2.277 2.275 2.281 . 0 0 "[ . 1 . 2]" 1
533 1 23 GLN HB2 1 24 ALA H . . 3.080 2.773 2.669 2.867 . 0 0 "[ . 1 . 2]" 1
534 1 23 GLN HB2 1 65 ALA MB . . 3.720 2.659 2.539 2.820 . 0 0 "[ . 1 . 2]" 1
535 1 23 GLN HB3 1 23 GLN HG2 . . 2.800 2.835 2.821 2.841 0.041 8 0 "[ . 1 . 2]" 1
536 1 23 GLN HB3 1 23 GLN HG3 . . 2.900 2.933 2.927 2.944 0.044 5 0 "[ . 1 . 2]" 1
537 1 23 GLN HB3 1 24 ALA H . . 3.660 3.426 3.225 3.588 . 0 0 "[ . 1 . 2]" 1
538 1 23 GLN HB3 1 65 ALA MB . . 3.610 1.957 1.917 1.971 . 0 0 "[ . 1 . 2]" 1
539 1 23 GLN HG2 1 24 ALA H . . 4.850 4.861 4.818 4.878 0.028 19 0 "[ . 1 . 2]" 1
540 1 23 GLN HG2 1 65 ALA MB . . 6.130 4.385 4.246 4.463 . 0 0 "[ . 1 . 2]" 1
541 1 23 GLN HG3 1 24 ALA H . . 4.850 4.810 4.697 4.854 0.004 17 0 "[ . 1 . 2]" 1
542 1 23 GLN HG3 1 65 ALA MB . . 6.450 4.075 3.794 4.249 . 0 0 "[ . 1 . 2]" 1
543 1 24 ALA H 1 24 ALA HA . . 2.900 2.848 2.818 2.877 . 0 0 "[ . 1 . 2]" 1
544 1 24 ALA H 1 24 ALA MB . . 3.430 2.045 1.950 2.154 . 0 0 "[ . 1 . 2]" 1
545 1 24 ALA H 1 25 ARG H . . 2.620 2.525 2.439 2.592 . 0 0 "[ . 1 . 2]" 1
546 1 24 ALA H 1 65 ALA MB . . 5.230 3.548 3.119 3.897 . 0 0 "[ . 1 . 2]" 1
547 1 24 ALA H 1 68 LEU MD2 . . 4.940 3.629 3.417 3.873 . 0 0 "[ . 1 . 2]" 1
548 1 24 ALA HA 1 25 ARG H . . 3.520 3.395 3.318 3.440 . 0 0 "[ . 1 . 2]" 1
549 1 24 ALA HA 1 68 LEU MD2 . . 7.030 4.556 4.348 4.758 . 0 0 "[ . 1 . 2]" 1
550 1 24 ALA HA 1 69 ARG HB2 . . 4.310 2.891 2.651 3.090 . 0 0 "[ . 1 . 2]" 1
551 1 24 ALA HA 1 69 ARG QB . . 4.090 2.849 2.626 3.026 . 0 0 "[ . 1 . 2]" 1
552 1 24 ALA HA 1 69 ARG HB3 . . 4.310 4.312 4.259 4.325 0.015 14 0 "[ . 1 . 2]" 1
553 1 24 ALA HA 1 69 ARG HD2 . . 6.000 4.939 3.783 5.843 . 0 0 "[ . 1 . 2]" 1
554 1 24 ALA HA 1 69 ARG HD3 . . 6.000 4.208 3.140 6.007 0.007 16 0 "[ . 1 . 2]" 1
555 1 24 ALA HA 1 69 ARG QG . . 6.880 4.169 2.783 4.962 . 0 0 "[ . 1 . 2]" 1
556 1 24 ALA MB 1 25 ARG H . . 4.290 3.250 3.169 3.371 . 0 0 "[ . 1 . 2]" 1
557 1 24 ALA MB 1 25 ARG HA . . 5.730 4.636 4.569 4.704 . 0 0 "[ . 1 . 2]" 1
558 1 24 ALA MB 1 26 ALA H . . 3.930 3.066 2.913 3.155 . 0 0 "[ . 1 . 2]" 1
559 1 24 ALA MB 1 65 ALA HA . . 4.440 2.740 2.082 3.129 . 0 0 "[ . 1 . 2]" 1
560 1 24 ALA MB 1 68 LEU QB . . 5.530 2.492 2.266 2.794 . 0 0 "[ . 1 . 2]" 1
561 1 24 ALA MB 1 68 LEU MD2 . . 5.280 2.033 1.863 2.168 . 0 0 "[ . 1 . 2]" 1
562 1 24 ALA MB 1 69 ARG H . . 7.030 2.716 2.442 2.941 . 0 0 "[ . 1 . 2]" 1
563 1 24 ALA MB 1 69 ARG HA . . 4.580 2.784 2.420 2.987 . 0 0 "[ . 1 . 2]" 1
564 1 24 ALA MB 1 69 ARG HB2 . . 5.160 2.097 1.949 2.408 . 0 0 "[ . 1 . 2]" 1
565 1 24 ALA MB 1 69 ARG QB . . 4.990 2.079 1.937 2.376 . 0 0 "[ . 1 . 2]" 1
566 1 24 ALA MB 1 69 ARG HB3 . . 5.160 3.458 3.231 3.657 . 0 0 "[ . 1 . 2]" 1
567 1 24 ALA MB 1 69 ARG HD2 . . 7.030 3.748 2.608 4.866 . 0 0 "[ . 1 . 2]" 1
568 1 24 ALA MB 1 69 ARG HD3 . . 7.030 3.561 2.311 5.073 . 0 0 "[ . 1 . 2]" 1
569 1 24 ALA MB 1 69 ARG QG . . 7.330 3.625 2.596 4.085 . 0 0 "[ . 1 . 2]" 1
570 1 24 ALA MB 1 72 LEU QD . . 7.970 2.611 2.249 3.377 . 0 0 "[ . 1 . 2]" 1
571 1 25 ARG H 1 25 ARG HB2 . . 3.700 3.318 3.178 3.520 . 0 0 "[ . 1 . 2]" 1
572 1 25 ARG H 1 25 ARG HD2 . . 5.750 5.344 4.461 5.568 . 0 0 "[ . 1 . 2]" 1
573 1 25 ARG H 1 25 ARG QD . . 5.400 4.673 4.234 4.835 . 0 0 "[ . 1 . 2]" 1
574 1 25 ARG H 1 25 ARG HD3 . . 5.750 5.194 4.909 5.401 . 0 0 "[ . 1 . 2]" 1
575 1 25 ARG H 1 25 ARG HG2 . . 4.200 3.236 2.907 4.039 . 0 0 "[ . 1 . 2]" 1
576 1 25 ARG H 1 25 ARG QG . . 3.720 2.981 2.425 3.112 . 0 0 "[ . 1 . 2]" 1
577 1 25 ARG H 1 25 ARG HG3 . . 4.200 3.792 2.452 4.023 . 0 0 "[ . 1 . 2]" 1
578 1 25 ARG H 1 26 ALA H . . 3.260 2.732 2.631 2.854 . 0 0 "[ . 1 . 2]" 1
579 1 25 ARG HA 1 25 ARG HB2 . . 2.980 3.000 2.967 3.060 0.080 19 0 "[ . 1 . 2]" 1
580 1 25 ARG HA 1 25 ARG QG . . 3.600 2.088 1.994 2.411 . 0 0 "[ . 1 . 2]" 1
581 1 25 ARG HA 1 26 ALA H . . 2.830 2.851 2.844 2.865 0.035 7 0 "[ . 1 . 2]" 1
582 1 25 ARG HA 1 26 ALA MB . . 5.300 4.374 4.324 4.423 . 0 0 "[ . 1 . 2]" 1
583 1 25 ARG HA 1 27 GLY H . . 4.270 3.945 3.404 4.266 . 0 0 "[ . 1 . 2]" 1
584 1 25 ARG HB2 1 25 ARG QD . . 3.730 2.955 2.050 3.146 . 0 0 "[ . 1 . 2]" 1
585 1 25 ARG HB2 1 25 ARG HG2 . . 2.940 2.881 2.823 2.997 0.057 19 0 "[ . 1 . 2]" 1
586 1 25 ARG HB2 1 25 ARG HG3 . . 2.940 2.313 2.264 2.743 . 0 0 "[ . 1 . 2]" 1
587 1 25 ARG HB2 1 26 ALA H . . 4.810 4.371 4.294 4.404 . 0 0 "[ . 1 . 2]" 1
588 1 25 ARG HB3 1 25 ARG HD2 . . 3.160 2.160 1.981 3.150 . 0 0 "[ . 1 . 2]" 1
589 1 25 ARG HB3 1 25 ARG HD3 . . 3.160 2.992 2.686 3.173 0.013 15 0 "[ . 1 . 2]" 1
590 1 25 ARG HB3 1 26 ALA H . . 5.280 4.401 4.365 4.514 . 0 0 "[ . 1 . 2]" 1
591 1 25 ARG QD 1 26 ALA H . . 6.810 5.450 5.315 5.733 . 0 0 "[ . 1 . 2]" 1
592 1 25 ARG HG2 1 26 ALA H . . 6.000 4.902 4.822 5.566 . 0 0 "[ . 1 . 2]" 1
593 1 25 ARG HG3 1 26 ALA H . . 6.000 5.672 4.773 5.825 . 0 0 "[ . 1 . 2]" 1
594 1 26 ALA H 1 26 ALA MB . . 3.430 2.055 1.934 2.161 . 0 0 "[ . 1 . 2]" 1
595 1 26 ALA H 1 27 GLY H . . 3.800 2.968 2.778 3.130 . 0 0 "[ . 1 . 2]" 1
596 1 26 ALA H 1 68 LEU MD2 . . 5.340 4.158 3.950 4.367 . 0 0 "[ . 1 . 2]" 1
597 1 26 ALA H 1 72 LEU QD . . 6.830 3.791 3.429 4.466 . 0 0 "[ . 1 . 2]" 1
598 1 26 ALA HA 1 27 GLY H . . 3.590 3.636 3.597 3.643 0.053 9 0 "[ . 1 . 2]" 1
599 1 26 ALA HA 1 27 GLY QA . . 5.300 4.276 4.263 4.283 . 0 0 "[ . 1 . 2]" 1
600 1 26 ALA HA 1 72 LEU QD . . 6.080 2.549 2.133 2.845 . 0 0 "[ . 1 . 2]" 1
601 1 26 ALA MB 1 27 GLY H . . 4.220 2.316 2.031 2.631 . 0 0 "[ . 1 . 2]" 1
602 1 26 ALA MB 1 29 PHE QD . . 8.680 3.544 3.280 3.900 . 0 0 "[ . 1 . 2]" 1
603 1 26 ALA MB 1 68 LEU MD2 . . 6.000 2.922 2.600 3.169 . 0 0 "[ . 1 . 2]" 1
604 1 26 ALA MB 1 72 LEU MD1 . . 6.980 2.069 1.849 2.476 . 0 0 "[ . 1 . 2]" 1
605 1 26 ALA MB 1 72 LEU QD . . 6.220 2.015 1.787 2.422 . 0 0 "[ . 1 . 2]" 1
606 1 26 ALA MB 1 72 LEU MD2 . . 6.980 2.846 2.368 3.429 . 0 0 "[ . 1 . 2]" 1
607 1 27 GLY H 1 28 ALA H . . 4.700 4.390 4.271 4.482 . 0 0 "[ . 1 . 2]" 1
608 1 27 GLY H 1 28 ALA HA . . 5.280 4.852 4.692 5.017 . 0 0 "[ . 1 . 2]" 1
609 1 27 GLY H 1 28 ALA MB . . 7.030 5.463 5.357 5.566 . 0 0 "[ . 1 . 2]" 1
610 1 27 GLY QA 1 28 ALA H . . 2.980 2.195 2.184 2.231 . 0 0 "[ . 1 . 2]" 1
611 1 27 GLY QA 1 28 ALA MB . . 5.970 3.706 3.661 3.743 . 0 0 "[ . 1 . 2]" 1
612 1 27 GLY HA2 1 28 ALA H . . 3.160 3.131 3.017 3.172 0.012 11 0 "[ . 1 . 2]" 1
613 1 27 GLY HA2 1 28 ALA MB . . 6.090 4.311 4.239 4.404 . 0 0 "[ . 1 . 2]" 1
614 1 27 GLY HA3 1 28 ALA H . . 3.160 2.242 2.225 2.299 . 0 0 "[ . 1 . 2]" 1
615 1 27 GLY HA3 1 28 ALA MB . . 6.090 4.040 3.993 4.116 . 0 0 "[ . 1 . 2]" 1
616 1 28 ALA H 1 28 ALA MB . . 3.430 2.198 2.078 2.306 . 0 0 "[ . 1 . 2]" 1
617 1 28 ALA H 1 29 PHE H . . 4.600 4.583 4.555 4.606 0.006 18 0 "[ . 1 . 2]" 1
618 1 28 ALA HA 1 29 PHE H . . 2.690 2.379 2.369 2.401 . 0 0 "[ . 1 . 2]" 1
619 1 28 ALA HA 1 29 PHE QD . . 8.120 3.410 3.053 3.805 . 0 0 "[ . 1 . 2]" 1
620 1 28 ALA MB 1 29 PHE H . . 3.430 2.709 2.648 2.783 . 0 0 "[ . 1 . 2]" 1
621 1 29 PHE H 1 29 PHE HB2 . . 3.880 3.870 3.810 3.912 0.032 12 0 "[ . 1 . 2]" 1
622 1 29 PHE H 1 29 PHE HB3 . . 3.770 3.470 3.428 3.513 . 0 0 "[ . 1 . 2]" 1
623 1 29 PHE H 1 29 PHE QE . . 7.190 4.411 4.291 4.503 . 0 0 "[ . 1 . 2]" 1
624 1 29 PHE H 1 30 PHE H . . 4.880 4.369 4.344 4.388 . 0 0 "[ . 1 . 2]" 1
625 1 29 PHE HA 1 30 PHE H . . 3.260 2.672 2.622 2.758 . 0 0 "[ . 1 . 2]" 1
626 1 29 PHE HB2 1 30 PHE H . . 4.240 2.124 1.983 2.209 . 0 0 "[ . 1 . 2]" 1
627 1 29 PHE HB3 1 30 PHE H . . 3.590 3.574 3.514 3.600 0.010 15 0 "[ . 1 . 2]" 1
628 1 29 PHE QD 1 30 PHE H . . 7.290 3.021 2.694 3.244 . 0 0 "[ . 1 . 2]" 1
629 1 29 PHE QE 1 31 SER QB . . 9.000 3.841 2.937 4.611 . 0 0 "[ . 1 . 2]" 1
630 1 30 PHE H 1 30 PHE HB2 . . 2.900 2.358 2.192 2.473 . 0 0 "[ . 1 . 2]" 1
631 1 30 PHE H 1 30 PHE HB3 . . 3.590 3.573 3.473 3.611 0.021 10 0 "[ . 1 . 2]" 1
632 1 30 PHE H 1 31 SER H . . 5.280 4.505 4.462 4.559 . 0 0 "[ . 1 . 2]" 1
633 1 30 PHE HA 1 30 PHE HB3 . . 2.830 2.584 2.504 2.674 . 0 0 "[ . 1 . 2]" 1
634 1 30 PHE HA 1 31 SER H . . 2.510 2.273 2.215 2.364 . 0 0 "[ . 1 . 2]" 1
635 1 30 PHE HB2 1 31 SER H . . 4.160 4.137 4.016 4.182 0.022 15 0 "[ . 1 . 2]" 1
636 1 30 PHE HB2 1 32 VAL MG2 . . 6.850 3.774 3.205 4.182 . 0 0 "[ . 1 . 2]" 1
637 1 30 PHE HB3 1 31 SER H . . 3.410 3.112 2.813 3.372 . 0 0 "[ . 1 . 2]" 1
638 1 30 PHE HB3 1 32 VAL MG2 . . 5.910 3.459 3.291 3.581 . 0 0 "[ . 1 . 2]" 1
639 1 30 PHE QD 1 31 SER H . . 7.870 3.974 3.646 4.369 . 0 0 "[ . 1 . 2]" 1
640 1 31 SER H 1 31 SER HB2 . . 3.480 2.593 2.191 3.606 0.126 15 0 "[ . 1 . 2]" 1
641 1 31 SER H 1 31 SER QB . . 3.130 2.347 2.161 2.905 . 0 0 "[ . 1 . 2]" 1
642 1 31 SER H 1 31 SER HB3 . . 3.480 3.120 2.223 3.511 0.031 8 0 "[ . 1 . 2]" 1
643 1 31 SER H 1 32 VAL H . . 5.860 4.520 4.387 4.588 . 0 0 "[ . 1 . 2]" 1
644 1 31 SER H 1 32 VAL MG2 . . 6.020 4.128 3.792 4.354 . 0 0 "[ . 1 . 2]" 1
645 1 31 SER HA 1 32 VAL H . . 2.760 2.281 2.217 2.328 . 0 0 "[ . 1 . 2]" 1
646 1 31 SER HA 1 32 VAL MG2 . . 5.660 3.586 3.440 3.810 . 0 0 "[ . 1 . 2]" 1
647 1 31 SER QB 1 32 VAL H . . 3.970 3.320 3.070 3.565 . 0 0 "[ . 1 . 2]" 1
648 1 31 SER HB2 1 32 VAL H . . 4.380 4.180 3.158 4.402 0.022 16 0 "[ . 1 . 2]" 1
649 1 31 SER HB2 1 33 PHE QE . . 6.570 4.699 3.066 5.547 . 0 0 "[ . 1 . 2]" 1
650 1 31 SER HB3 1 32 VAL H . . 4.380 3.608 3.184 4.229 . 0 0 "[ . 1 . 2]" 1
651 1 31 SER HB3 1 33 PHE QE . . 6.570 4.139 3.479 4.994 . 0 0 "[ . 1 . 2]" 1
652 1 32 VAL H 1 32 VAL HB . . 3.190 2.605 2.448 2.726 . 0 0 "[ . 1 . 2]" 1
653 1 32 VAL H 1 32 VAL MG2 . . 3.860 2.921 2.616 3.149 . 0 0 "[ . 1 . 2]" 1
654 1 32 VAL H 1 33 PHE H . . 5.140 4.354 4.262 4.462 . 0 0 "[ . 1 . 2]" 1
655 1 32 VAL HA 1 32 VAL MG1 . . 3.610 2.435 2.315 2.493 . 0 0 "[ . 1 . 2]" 1
656 1 32 VAL HA 1 32 VAL MG2 . . 3.570 2.320 2.173 2.413 . 0 0 "[ . 1 . 2]" 1
657 1 32 VAL HA 1 33 PHE H . . 2.830 2.221 2.192 2.250 . 0 0 "[ . 1 . 2]" 1
658 1 32 VAL HB 1 33 PHE H . . 4.490 4.232 4.125 4.342 . 0 0 "[ . 1 . 2]" 1
659 1 32 VAL MG1 1 33 PHE H . . 3.610 2.474 2.187 2.781 . 0 0 "[ . 1 . 2]" 1
660 1 32 VAL MG1 1 34 ILE H . . 5.730 4.303 4.067 4.546 . 0 0 "[ . 1 . 2]" 1
661 1 32 VAL MG1 1 34 ILE HA . . 5.910 3.858 3.696 4.015 . 0 0 "[ . 1 . 2]" 1
662 1 32 VAL MG2 1 33 PHE H . . 5.010 4.001 3.881 4.092 . 0 0 "[ . 1 . 2]" 1
663 1 32 VAL MG2 1 40 LEU QD . . 9.630 4.640 4.111 5.072 . 0 0 "[ . 1 . 2]" 1
664 1 33 PHE H 1 33 PHE HB2 . . 4.020 2.487 2.352 2.650 . 0 0 "[ . 1 . 2]" 1
665 1 33 PHE H 1 33 PHE QB . . 3.760 2.442 2.317 2.583 . 0 0 "[ . 1 . 2]" 1
666 1 33 PHE H 1 33 PHE HB3 . . 4.020 3.560 3.496 3.599 . 0 0 "[ . 1 . 2]" 1
667 1 33 PHE H 1 34 ILE H . . 5.640 4.461 4.389 4.537 . 0 0 "[ . 1 . 2]" 1
668 1 33 PHE HA 1 34 ILE H . . 3.050 2.200 2.193 2.236 . 0 0 "[ . 1 . 2]" 1
669 1 33 PHE HA 1 34 ILE MG . . 5.260 3.507 3.351 3.632 . 0 0 "[ . 1 . 2]" 1
670 1 33 PHE HA 1 35 ASP H . . 4.850 3.443 3.330 3.581 . 0 0 "[ . 1 . 2]" 1
671 1 33 PHE QB 1 34 ILE H . . 3.880 3.367 3.141 3.475 . 0 0 "[ . 1 . 2]" 1
672 1 33 PHE QB 1 35 ASP H . . 4.300 2.731 2.474 2.915 . 0 0 "[ . 1 . 2]" 1
673 1 33 PHE HB2 1 34 ILE H . . 4.270 4.223 4.056 4.281 0.011 1 0 "[ . 1 . 2]" 1
674 1 33 PHE HB2 1 35 ASP H . . 4.780 3.681 3.248 4.022 . 0 0 "[ . 1 . 2]" 1
675 1 33 PHE HB3 1 34 ILE H . . 4.270 3.540 3.271 3.680 . 0 0 "[ . 1 . 2]" 1
676 1 33 PHE HB3 1 35 ASP H . . 4.780 2.818 2.565 2.997 . 0 0 "[ . 1 . 2]" 1
677 1 34 ILE H 1 34 ILE MD . . 5.340 3.955 3.899 3.991 . 0 0 "[ . 1 . 2]" 1
678 1 34 ILE H 1 34 ILE HG12 . . 3.160 2.542 2.347 2.657 . 0 0 "[ . 1 . 2]" 1
679 1 34 ILE H 1 34 ILE QG . . 2.960 2.350 2.268 2.402 . 0 0 "[ . 1 . 2]" 1
680 1 34 ILE H 1 34 ILE HG13 . . 3.160 2.791 2.677 3.001 . 0 0 "[ . 1 . 2]" 1
681 1 34 ILE H 1 34 ILE MG . . 3.640 2.148 1.957 2.373 . 0 0 "[ . 1 . 2]" 1
682 1 34 ILE H 1 35 ASP H . . 3.230 2.428 2.248 2.558 . 0 0 "[ . 1 . 2]" 1
683 1 34 ILE H 1 48 VAL QG . . 8.590 3.741 3.387 3.945 . 0 0 "[ . 1 . 2]" 1
684 1 34 ILE HA 1 34 ILE HB . . 2.690 2.370 2.359 2.381 . 0 0 "[ . 1 . 2]" 1
685 1 34 ILE HA 1 34 ILE MD . . 4.760 3.967 3.912 4.056 . 0 0 "[ . 1 . 2]" 1
686 1 34 ILE HA 1 34 ILE MG . . 3.430 2.412 2.337 2.495 . 0 0 "[ . 1 . 2]" 1
687 1 34 ILE HA 1 35 ASP H . . 3.440 3.439 3.306 3.485 0.045 20 0 "[ . 1 . 2]" 1
688 1 34 ILE HA 1 37 ASP HB2 . . 5.030 3.343 2.736 4.233 . 0 0 "[ . 1 . 2]" 1
689 1 34 ILE HA 1 37 ASP QB . . 4.570 3.164 2.703 3.886 . 0 0 "[ . 1 . 2]" 1
690 1 34 ILE HA 1 37 ASP HB3 . . 5.030 4.230 3.688 5.020 . 0 0 "[ . 1 . 2]" 1
691 1 34 ILE HA 1 40 LEU HB2 . . 4.700 2.869 2.462 3.185 . 0 0 "[ . 1 . 2]" 1
692 1 34 ILE HA 1 40 LEU QB . . 4.460 2.680 2.350 2.900 . 0 0 "[ . 1 . 2]" 1
693 1 34 ILE HA 1 40 LEU HB3 . . 4.700 3.245 2.639 3.524 . 0 0 "[ . 1 . 2]" 1
694 1 34 ILE HA 1 40 LEU MD1 . . 5.620 2.420 1.877 2.693 . 0 0 "[ . 1 . 2]" 1
695 1 34 ILE HA 1 40 LEU MD2 . . 5.620 4.503 3.778 4.676 . 0 0 "[ . 1 . 2]" 1
696 1 34 ILE HB 1 34 ILE MD . . 3.430 2.145 1.959 2.210 . 0 0 "[ . 1 . 2]" 1
697 1 34 ILE HB 1 35 ASP H . . 4.700 4.336 4.260 4.491 . 0 0 "[ . 1 . 2]" 1
698 1 34 ILE HB 1 40 LEU HB2 . . 4.090 2.748 2.369 3.038 . 0 0 "[ . 1 . 2]" 1
699 1 34 ILE HB 1 40 LEU QB . . 3.920 2.422 1.910 2.654 . 0 0 "[ . 1 . 2]" 1
700 1 34 ILE HB 1 40 LEU HB3 . . 4.090 2.708 1.998 3.109 . 0 0 "[ . 1 . 2]" 1
701 1 34 ILE HB 1 40 LEU QD . . 8.060 3.530 3.047 3.848 . 0 0 "[ . 1 . 2]" 1
702 1 34 ILE HB 1 41 GLU HA . . 6.000 3.300 2.968 3.854 . 0 0 "[ . 1 . 2]" 1
703 1 34 ILE HB 1 41 GLU HG2 . . 5.320 2.967 2.493 3.854 . 0 0 "[ . 1 . 2]" 1
704 1 34 ILE MD 1 35 ASP H . . 6.060 4.284 4.103 4.542 . 0 0 "[ . 1 . 2]" 1
705 1 34 ILE MD 1 40 LEU QB . . 6.470 3.609 3.146 3.891 . 0 0 "[ . 1 . 2]" 1
706 1 34 ILE MD 1 41 GLU H . . 6.130 3.760 3.392 4.034 . 0 0 "[ . 1 . 2]" 1
707 1 34 ILE MD 1 41 GLU HA . . 3.460 1.992 1.876 2.156 . 0 0 "[ . 1 . 2]" 1
708 1 34 ILE MD 1 41 GLU QB . . 6.540 3.268 3.131 3.724 . 0 0 "[ . 1 . 2]" 1
709 1 34 ILE MD 1 41 GLU HG2 . . 4.360 2.022 1.964 2.473 . 0 0 "[ . 1 . 2]" 1
710 1 34 ILE MD 1 41 GLU HG3 . . 5.590 3.448 3.373 3.735 . 0 0 "[ . 1 . 2]" 1
711 1 34 ILE MD 1 44 TYR HB2 . . 4.540 2.706 2.475 3.039 . 0 0 "[ . 1 . 2]" 1
712 1 34 ILE MD 1 44 TYR HB3 . . 5.880 3.486 3.236 3.931 . 0 0 "[ . 1 . 2]" 1
713 1 34 ILE MD 1 44 TYR QD . . 8.740 3.606 3.213 4.007 . 0 0 "[ . 1 . 2]" 1
714 1 34 ILE MD 1 45 GLY H . . 4.290 2.472 2.347 2.627 . 0 0 "[ . 1 . 2]" 1
715 1 34 ILE MD 1 45 GLY HA2 . . 4.830 2.766 2.508 2.822 . 0 0 "[ . 1 . 2]" 1
716 1 34 ILE MD 1 45 GLY QA . . 4.520 2.724 2.478 2.777 . 0 0 "[ . 1 . 2]" 1
717 1 34 ILE MD 1 45 GLY HA3 . . 4.830 4.085 3.853 4.132 . 0 0 "[ . 1 . 2]" 1
718 1 34 ILE MD 1 46 LEU HA . . 7.030 5.428 5.145 5.752 . 0 0 "[ . 1 . 2]" 1
719 1 34 ILE MD 1 48 VAL H . . 6.130 4.423 4.234 4.600 . 0 0 "[ . 1 . 2]" 1
720 1 34 ILE MD 1 48 VAL QG . . 8.570 1.739 1.657 2.167 . 0 0 "[ . 1 . 2]" 1
721 1 34 ILE QG 1 35 ASP H . . 4.120 2.594 2.395 2.966 . 0 0 "[ . 1 . 2]" 1
722 1 34 ILE QG 1 35 ASP HA . . 6.340 3.145 3.053 3.380 . 0 0 "[ . 1 . 2]" 1
723 1 34 ILE QG 1 41 GLU HG3 . . 5.560 4.399 4.228 4.480 . 0 0 "[ . 1 . 2]" 1
724 1 34 ILE QG 1 48 VAL QG . . 8.140 1.939 1.818 2.004 . 0 0 "[ . 1 . 2]" 1
725 1 34 ILE HG12 1 35 ASP H . . 4.560 3.689 3.374 4.172 . 0 0 "[ . 1 . 2]" 1
726 1 34 ILE HG12 1 41 GLU HG3 . . 6.000 5.990 5.823 6.022 0.022 5 0 "[ . 1 . 2]" 1
727 1 34 ILE HG13 1 35 ASP H . . 4.560 2.654 2.432 3.035 . 0 0 "[ . 1 . 2]" 1
728 1 34 ILE HG13 1 41 GLU HG3 . . 6.000 4.526 4.329 4.624 . 0 0 "[ . 1 . 2]" 1
729 1 34 ILE MG 1 35 ASP H . . 5.370 4.002 3.923 4.076 . 0 0 "[ . 1 . 2]" 1
730 1 34 ILE MG 1 40 LEU QB . . 5.930 2.597 2.241 2.960 . 0 0 "[ . 1 . 2]" 1
731 1 34 ILE MG 1 44 TYR HB2 . . 4.900 3.216 2.962 3.425 . 0 0 "[ . 1 . 2]" 1
732 1 34 ILE MG 1 44 TYR HB3 . . 4.870 3.781 3.642 3.894 . 0 0 "[ . 1 . 2]" 1
733 1 34 ILE MG 1 44 TYR QD . . 7.010 2.368 2.085 2.845 . 0 0 "[ . 1 . 2]" 1
734 1 34 ILE MG 1 44 TYR QE . . 7.830 3.560 3.191 3.841 . 0 0 "[ . 1 . 2]" 1
735 1 35 ASP H 1 35 ASP HB2 . . 3.520 3.110 2.015 3.506 . 0 0 "[ . 1 . 2]" 1
736 1 35 ASP H 1 35 ASP QB . . 3.280 2.212 1.996 2.750 . 0 0 "[ . 1 . 2]" 1
737 1 35 ASP H 1 35 ASP HB3 . . 3.520 2.389 2.197 3.247 . 0 0 "[ . 1 . 2]" 1
738 1 35 ASP H 1 36 ASP H . . 5.530 4.445 3.368 4.670 . 0 0 "[ . 1 . 2]" 1
739 1 35 ASP H 1 37 ASP H . . 6.000 4.851 4.493 5.822 . 0 0 "[ . 1 . 2]" 1
740 1 35 ASP HA 1 36 ASP H . . 2.830 2.453 2.330 2.759 . 0 0 "[ . 1 . 2]" 1
741 1 35 ASP HA 1 37 ASP H . . 4.450 3.920 3.304 4.341 . 0 0 "[ . 1 . 2]" 1
742 1 36 ASP H 1 37 ASP H . . 3.480 2.957 1.897 3.501 0.021 16 0 "[ . 1 . 2]" 1
743 1 36 ASP HA 1 41 GLU HG3 . . 6.000 5.392 4.943 5.961 . 0 0 "[ . 1 . 2]" 1
744 1 36 ASP HB2 1 37 ASP H . . 5.170 3.676 2.972 4.681 . 0 0 "[ . 1 . 2]" 1
745 1 36 ASP HB3 1 37 ASP H . . 5.170 3.124 2.285 4.503 . 0 0 "[ . 1 . 2]" 1
746 1 37 ASP H 1 37 ASP HA . . 2.870 2.811 2.712 2.914 0.044 1 0 "[ . 1 . 2]" 1
747 1 37 ASP H 1 37 ASP HB2 . . 3.550 2.518 2.081 3.252 . 0 0 "[ . 1 . 2]" 1
748 1 37 ASP H 1 37 ASP QB . . 3.330 2.434 2.063 3.011 . 0 0 "[ . 1 . 2]" 1
749 1 37 ASP H 1 37 ASP HB3 . . 3.550 3.470 3.341 3.553 0.003 7 0 "[ . 1 . 2]" 1
750 1 37 ASP H 1 38 ALA H . . 4.740 3.977 3.240 4.338 . 0 0 "[ . 1 . 2]" 1
751 1 37 ASP H 1 40 LEU QB . . 6.050 4.353 3.615 4.871 . 0 0 "[ . 1 . 2]" 1
752 1 37 ASP H 1 40 LEU QD . . 8.600 4.191 3.338 4.967 . 0 0 "[ . 1 . 2]" 1
753 1 37 ASP H 1 41 GLU HG3 . . 4.200 3.962 3.456 4.217 0.017 18 0 "[ . 1 . 2]" 1
754 1 37 ASP HA 1 38 ALA H . . 2.650 2.308 2.259 2.402 . 0 0 "[ . 1 . 2]" 1
755 1 37 ASP HA 1 38 ALA HA . . 5.460 4.508 4.458 4.584 . 0 0 "[ . 1 . 2]" 1
756 1 37 ASP HA 1 38 ALA MB . . 5.340 4.015 3.966 4.075 . 0 0 "[ . 1 . 2]" 1
757 1 37 ASP HA 1 39 ALA H . . 3.590 3.535 3.456 3.606 0.016 1 0 "[ . 1 . 2]" 1
758 1 37 ASP QB 1 38 ALA H . . 4.390 3.796 3.636 3.948 . 0 0 "[ . 1 . 2]" 1
759 1 37 ASP QB 1 40 LEU H . . 3.920 2.241 2.036 2.659 . 0 0 "[ . 1 . 2]" 1
760 1 37 ASP QB 1 40 LEU QB . . 4.820 2.194 1.963 2.600 . 0 0 "[ . 1 . 2]" 1
761 1 37 ASP QB 1 40 LEU QD . . 6.210 2.060 1.803 2.433 . 0 0 "[ . 1 . 2]" 1
762 1 37 ASP QB 1 40 LEU HG . . 5.690 2.385 2.045 2.918 . 0 0 "[ . 1 . 2]" 1
763 1 37 ASP HB2 1 38 ALA H . . 4.700 4.627 4.456 4.724 0.024 7 0 "[ . 1 . 2]" 1
764 1 37 ASP HB2 1 40 LEU H . . 4.490 3.652 3.129 4.271 . 0 0 "[ . 1 . 2]" 1
765 1 37 ASP HB2 1 40 LEU HB2 . . 5.880 2.828 2.047 3.687 . 0 0 "[ . 1 . 2]" 1
766 1 37 ASP HB2 1 40 LEU HB3 . . 5.880 4.357 3.654 5.157 . 0 0 "[ . 1 . 2]" 1
767 1 37 ASP HB2 1 40 LEU MD1 . . 8.300 2.288 1.878 2.755 . 0 0 "[ . 1 . 2]" 1
768 1 37 ASP HB2 1 40 LEU MD2 . . 8.300 4.673 4.195 5.180 . 0 0 "[ . 1 . 2]" 1
769 1 37 ASP HB2 1 40 LEU HG . . 6.000 3.517 3.072 4.058 . 0 0 "[ . 1 . 2]" 1
770 1 37 ASP HB3 1 38 ALA H . . 4.700 4.036 3.808 4.233 . 0 0 "[ . 1 . 2]" 1
771 1 37 ASP HB3 1 40 LEU H . . 4.490 2.266 2.047 2.686 . 0 0 "[ . 1 . 2]" 1
772 1 37 ASP HB3 1 40 LEU HB2 . . 5.880 2.463 1.994 3.064 . 0 0 "[ . 1 . 2]" 1
773 1 37 ASP HB3 1 40 LEU HB3 . . 5.880 4.016 3.689 4.509 . 0 0 "[ . 1 . 2]" 1
774 1 37 ASP HB3 1 40 LEU MD1 . . 8.300 2.423 2.115 2.842 . 0 0 "[ . 1 . 2]" 1
775 1 37 ASP HB3 1 40 LEU MD2 . . 8.300 4.028 3.753 4.326 . 0 0 "[ . 1 . 2]" 1
776 1 37 ASP HB3 1 40 LEU HG . . 6.000 2.431 2.061 2.992 . 0 0 "[ . 1 . 2]" 1
777 1 38 ALA H 1 38 ALA MB . . 3.430 2.024 1.934 2.157 . 0 0 "[ . 1 . 2]" 1
778 1 38 ALA H 1 39 ALA H . . 2.940 2.631 2.514 2.802 . 0 0 "[ . 1 . 2]" 1
779 1 38 ALA H 1 40 LEU H . . 4.340 4.351 4.341 4.373 0.033 1 0 "[ . 1 . 2]" 1
780 1 38 ALA HA 1 41 GLU H . . 3.700 3.057 2.884 3.172 . 0 0 "[ . 1 . 2]" 1
781 1 38 ALA HA 1 41 GLU HB2 . . 3.520 1.981 1.968 1.996 . 0 0 "[ . 1 . 2]" 1
782 1 38 ALA HA 1 41 GLU HB3 . . 3.520 3.552 3.533 3.576 0.056 17 0 "[ . 1 . 2]" 1
783 1 38 ALA HA 1 41 GLU HG2 . . 3.880 3.869 3.785 3.899 0.019 7 0 "[ . 1 . 2]" 1
784 1 38 ALA HA 1 42 SER H . . 3.730 3.729 3.665 3.765 0.035 11 0 "[ . 1 . 2]" 1
785 1 38 ALA MB 1 39 ALA H . . 3.640 2.811 2.687 2.922 . 0 0 "[ . 1 . 2]" 1
786 1 38 ALA MB 1 41 GLU H . . 7.030 4.329 4.145 4.438 . 0 0 "[ . 1 . 2]" 1
787 1 38 ALA MB 1 42 SER H . . 7.030 4.150 3.947 4.254 . 0 0 "[ . 1 . 2]" 1
788 1 39 ALA H 1 39 ALA HA . . 2.800 2.775 2.738 2.799 . 0 0 "[ . 1 . 2]" 1
789 1 39 ALA H 1 39 ALA MB . . 3.430 2.064 1.934 2.160 . 0 0 "[ . 1 . 2]" 1
790 1 39 ALA H 1 40 LEU H . . 3.410 2.765 2.700 2.846 . 0 0 "[ . 1 . 2]" 1
791 1 39 ALA H 1 41 GLU H . . 4.020 3.878 3.772 3.963 . 0 0 "[ . 1 . 2]" 1
792 1 39 ALA HA 1 42 SER H . . 3.550 3.552 3.490 3.590 0.040 7 0 "[ . 1 . 2]" 1
793 1 39 ALA MB 1 40 LEU H . . 3.750 2.529 2.375 2.677 . 0 0 "[ . 1 . 2]" 1
794 1 39 ALA MB 1 40 LEU MD1 . . 8.060 4.255 4.044 4.458 . 0 0 "[ . 1 . 2]" 1
795 1 39 ALA MB 1 40 LEU MD2 . . 8.060 3.493 3.159 3.812 . 0 0 "[ . 1 . 2]" 1
796 1 39 ALA MB 1 40 LEU HG . . 6.990 3.074 2.941 3.274 . 0 0 "[ . 1 . 2]" 1
797 1 39 ALA MB 1 42 SER H . . 7.030 4.687 4.622 4.751 . 0 0 "[ . 1 . 2]" 1
798 1 39 ALA MB 1 42 SER HB2 . . 7.030 4.816 4.712 4.962 . 0 0 "[ . 1 . 2]" 1
799 1 39 ALA MB 1 42 SER QB . . 6.430 4.410 4.324 4.524 . 0 0 "[ . 1 . 2]" 1
800 1 39 ALA MB 1 42 SER HB3 . . 7.030 5.117 5.017 5.231 . 0 0 "[ . 1 . 2]" 1
801 1 39 ALA MB 1 43 ALA H . . 6.600 4.680 4.586 4.762 . 0 0 "[ . 1 . 2]" 1
802 1 39 ALA MB 1 43 ALA MB . . 6.180 3.913 3.729 4.030 . 0 0 "[ . 1 . 2]" 1
803 1 40 LEU H 1 40 LEU HB2 . . 4.020 2.437 2.393 2.502 . 0 0 "[ . 1 . 2]" 1
804 1 40 LEU H 1 40 LEU HB3 . . 4.020 3.545 3.536 3.554 . 0 0 "[ . 1 . 2]" 1
805 1 40 LEU H 1 40 LEU MD1 . . 5.340 3.487 3.347 3.676 . 0 0 "[ . 1 . 2]" 1
806 1 40 LEU H 1 40 LEU QD . . 4.970 3.067 2.989 3.137 . 0 0 "[ . 1 . 2]" 1
807 1 40 LEU H 1 40 LEU MD2 . . 5.340 3.423 3.165 3.641 . 0 0 "[ . 1 . 2]" 1
808 1 40 LEU H 1 40 LEU HG . . 2.620 2.244 2.107 2.340 . 0 0 "[ . 1 . 2]" 1
809 1 40 LEU H 1 41 GLU H . . 3.480 2.518 2.424 2.580 . 0 0 "[ . 1 . 2]" 1
810 1 40 LEU H 1 42 SER H . . 4.310 4.220 4.149 4.310 . 0 0 "[ . 1 . 2]" 1
811 1 40 LEU HA 1 43 ALA H . . 3.230 3.204 3.102 3.251 0.021 7 0 "[ . 1 . 2]" 1
812 1 40 LEU HA 1 44 TYR QD . . 6.700 3.423 3.098 3.836 . 0 0 "[ . 1 . 2]" 1
813 1 40 LEU HA 1 44 TYR QE . . 8.130 4.138 3.345 4.558 . 0 0 "[ . 1 . 2]" 1
814 1 40 LEU QB 1 41 GLU H . . 4.390 2.818 2.720 2.908 . 0 0 "[ . 1 . 2]" 1
815 1 40 LEU QB 1 44 TYR QD . . 7.760 2.524 2.227 2.808 . 0 0 "[ . 1 . 2]" 1
816 1 40 LEU HB2 1 41 GLU H . . 5.240 2.890 2.785 2.989 . 0 0 "[ . 1 . 2]" 1
817 1 40 LEU HB2 1 44 TYR QD . . 8.140 4.100 3.738 4.438 . 0 0 "[ . 1 . 2]" 1
818 1 40 LEU HB3 1 41 GLU H . . 5.240 3.914 3.805 4.035 . 0 0 "[ . 1 . 2]" 1
819 1 40 LEU HB3 1 44 TYR QD . . 8.140 2.548 2.244 2.840 . 0 0 "[ . 1 . 2]" 1
820 1 40 LEU QD 1 41 GLU H . . 6.520 4.194 4.145 4.245 . 0 0 "[ . 1 . 2]" 1
821 1 40 LEU QD 1 44 TYR QE . . 7.980 2.519 1.916 3.174 . 0 0 "[ . 1 . 2]" 1
822 1 40 LEU MD1 1 41 GLU H . . 6.960 4.636 4.527 4.825 . 0 0 "[ . 1 . 2]" 1
823 1 40 LEU MD1 1 44 TYR QD . . 7.440 4.315 4.093 4.503 . 0 0 "[ . 1 . 2]" 1
824 1 40 LEU MD1 1 44 TYR QE . . 9.160 4.081 3.625 4.339 . 0 0 "[ . 1 . 2]" 1
825 1 40 LEU MD2 1 41 GLU H . . 6.960 4.797 4.683 4.910 . 0 0 "[ . 1 . 2]" 1
826 1 40 LEU MD2 1 44 TYR QD . . 7.440 3.356 3.092 3.683 . 0 0 "[ . 1 . 2]" 1
827 1 40 LEU MD2 1 44 TYR QE . . 9.160 2.548 1.923 3.263 . 0 0 "[ . 1 . 2]" 1
828 1 40 LEU HG 1 41 GLU H . . 4.450 4.399 4.305 4.460 0.010 8 0 "[ . 1 . 2]" 1
829 1 41 GLU H 1 41 GLU HB2 . . 3.730 2.305 2.248 2.376 . 0 0 "[ . 1 . 2]" 1
830 1 41 GLU H 1 41 GLU QB . . 3.410 2.276 2.223 2.341 . 0 0 "[ . 1 . 2]" 1
831 1 41 GLU H 1 41 GLU HB3 . . 3.730 3.522 3.501 3.542 . 0 0 "[ . 1 . 2]" 1
832 1 41 GLU H 1 41 GLU HG2 . . 4.160 2.709 2.578 3.195 . 0 0 "[ . 1 . 2]" 1
833 1 41 GLU H 1 41 GLU HG3 . . 4.200 3.121 2.428 3.418 . 0 0 "[ . 1 . 2]" 1
834 1 41 GLU H 1 42 SER H . . 2.900 2.688 2.627 2.751 . 0 0 "[ . 1 . 2]" 1
835 1 41 GLU H 1 44 TYR H . . 5.780 4.518 4.447 4.581 . 0 0 "[ . 1 . 2]" 1
836 1 41 GLU HA 1 41 GLU HG2 . . 3.550 2.336 2.252 2.426 . 0 0 "[ . 1 . 2]" 1
837 1 41 GLU HA 1 41 GLU HG3 . . 3.620 3.577 3.226 3.632 0.012 13 0 "[ . 1 . 2]" 1
838 1 41 GLU HA 1 43 ALA H . . 5.890 4.228 4.171 4.371 . 0 0 "[ . 1 . 2]" 1
839 1 41 GLU HA 1 44 TYR H . . 5.390 3.472 3.385 3.561 . 0 0 "[ . 1 . 2]" 1
840 1 41 GLU HA 1 45 GLY H . . 3.520 2.412 2.215 2.507 . 0 0 "[ . 1 . 2]" 1
841 1 41 GLU HA 1 45 GLY QA . . 4.760 2.883 2.569 3.100 . 0 0 "[ . 1 . 2]" 1
842 1 41 GLU HA 1 48 VAL QG . . 8.050 4.025 3.739 4.429 . 0 0 "[ . 1 . 2]" 1
843 1 41 GLU QB 1 42 SER H . . 3.240 2.574 2.484 2.623 . 0 0 "[ . 1 . 2]" 1
844 1 41 GLU QB 1 42 SER HA . . 5.010 3.844 3.830 3.856 . 0 0 "[ . 1 . 2]" 1
845 1 41 GLU QB 1 43 ALA H . . 5.440 4.472 4.415 4.597 . 0 0 "[ . 1 . 2]" 1
846 1 41 GLU HB2 1 42 SER H . . 3.480 2.652 2.540 2.721 . 0 0 "[ . 1 . 2]" 1
847 1 41 GLU HB3 1 42 SER H . . 3.480 3.479 3.422 3.527 0.047 11 0 "[ . 1 . 2]" 1
848 1 41 GLU HG2 1 42 SER H . . 4.960 4.674 4.640 4.872 . 0 0 "[ . 1 . 2]" 1
849 1 41 GLU HG2 1 45 GLY H . . 6.000 4.577 4.352 4.679 . 0 0 "[ . 1 . 2]" 1
850 1 41 GLU HG3 1 42 SER H . . 4.960 4.766 4.401 4.949 . 0 0 "[ . 1 . 2]" 1
851 1 41 GLU HG3 1 45 GLY H . . 6.000 5.930 5.627 6.014 0.014 8 0 "[ . 1 . 2]" 1
852 1 42 SER H 1 42 SER HA . . 2.900 2.811 2.801 2.817 . 0 0 "[ . 1 . 2]" 1
853 1 42 SER H 1 42 SER HB2 . . 3.080 2.061 2.051 2.072 . 0 0 "[ . 1 . 2]" 1
854 1 42 SER H 1 42 SER HB3 . . 3.080 3.092 3.048 3.099 0.019 19 0 "[ . 1 . 2]" 1
855 1 42 SER H 1 43 ALA H . . 3.120 2.491 2.469 2.544 . 0 0 "[ . 1 . 2]" 1
856 1 42 SER H 1 43 ALA MB . . 5.840 4.074 3.993 4.131 . 0 0 "[ . 1 . 2]" 1
857 1 42 SER H 1 44 TYR H . . 5.170 4.133 4.022 4.208 . 0 0 "[ . 1 . 2]" 1
858 1 42 SER H 1 45 GLY QA . . 6.880 4.964 4.825 5.087 . 0 0 "[ . 1 . 2]" 1
859 1 42 SER HA 1 42 SER HB2 . . 2.900 2.818 2.793 2.823 . 0 0 "[ . 1 . 2]" 1
860 1 42 SER HA 1 42 SER HB3 . . 2.900 2.937 2.935 2.956 0.056 15 0 "[ . 1 . 2]" 1
861 1 42 SER HA 1 43 ALA MB . . 7.030 4.984 4.967 5.001 . 0 0 "[ . 1 . 2]" 1
862 1 42 SER HA 1 44 TYR H . . 5.140 4.463 4.281 4.646 . 0 0 "[ . 1 . 2]" 1
863 1 42 SER QB 1 43 ALA H . . 3.690 2.954 2.822 2.979 . 0 0 "[ . 1 . 2]" 1
864 1 42 SER QB 1 44 TYR H . . 5.430 4.876 4.776 4.930 . 0 0 "[ . 1 . 2]" 1
865 1 42 SER HB2 1 43 ALA H . . 3.880 3.504 3.398 3.563 . 0 0 "[ . 1 . 2]" 1
866 1 42 SER HB2 1 43 ALA MB . . 7.030 4.757 4.665 4.810 . 0 0 "[ . 1 . 2]" 1
867 1 42 SER HB2 1 44 TYR H . . 5.680 5.611 5.496 5.666 . 0 0 "[ . 1 . 2]" 1
868 1 42 SER HB3 1 43 ALA H . . 3.880 3.181 3.015 3.218 . 0 0 "[ . 1 . 2]" 1
869 1 42 SER HB3 1 43 ALA MB . . 7.030 4.112 3.996 4.196 . 0 0 "[ . 1 . 2]" 1
870 1 42 SER HB3 1 44 TYR H . . 5.680 5.356 5.247 5.419 . 0 0 "[ . 1 . 2]" 1
871 1 43 ALA H 1 43 ALA HA . . 2.830 2.844 2.823 2.860 0.030 15 0 "[ . 1 . 2]" 1
872 1 43 ALA H 1 43 ALA MB . . 3.430 2.075 1.964 2.186 . 0 0 "[ . 1 . 2]" 1
873 1 43 ALA H 1 44 TYR H . . 2.980 2.516 2.456 2.637 . 0 0 "[ . 1 . 2]" 1
874 1 43 ALA H 1 44 TYR QD . . 7.060 4.892 4.450 5.140 . 0 0 "[ . 1 . 2]" 1
875 1 43 ALA MB 1 44 TYR H . . 3.930 2.627 2.467 2.702 . 0 0 "[ . 1 . 2]" 1
876 1 43 ALA MB 1 44 TYR QD . . 7.220 3.423 2.978 3.673 . 0 0 "[ . 1 . 2]" 1
877 1 43 ALA MB 1 44 TYR QE . . 7.580 3.823 3.389 4.145 . 0 0 "[ . 1 . 2]" 1
878 1 44 TYR H 1 45 GLY H . . 2.800 2.521 2.394 2.636 . 0 0 "[ . 1 . 2]" 1
879 1 44 TYR HA 1 47 ARG H . . 3.410 3.253 3.156 3.356 . 0 0 "[ . 1 . 2]" 1
880 1 44 TYR HA 1 47 ARG HB2 . . 4.240 2.354 2.260 2.502 . 0 0 "[ . 1 . 2]" 1
881 1 44 TYR HA 1 47 ARG HB3 . . 4.880 3.988 3.742 4.206 . 0 0 "[ . 1 . 2]" 1
882 1 44 TYR HA 1 47 ARG HD2 . . 4.090 3.860 3.271 4.097 0.007 18 0 "[ . 1 . 2]" 1
883 1 44 TYR HA 1 47 ARG HD3 . . 5.060 2.736 2.386 3.098 . 0 0 "[ . 1 . 2]" 1
884 1 44 TYR HA 1 47 ARG QG . . 6.340 4.351 4.037 4.559 . 0 0 "[ . 1 . 2]" 1
885 1 44 TYR HA 1 48 VAL H . . 5.710 5.237 5.079 5.330 . 0 0 "[ . 1 . 2]" 1
886 1 44 TYR HA 1 50 VAL MG2 . . 6.780 4.128 3.757 4.425 . 0 0 "[ . 1 . 2]" 1
887 1 44 TYR HB2 1 45 GLY H . . 3.620 1.942 1.920 1.954 . 0 0 "[ . 1 . 2]" 1
888 1 44 TYR HB2 1 48 VAL MG1 . . 6.740 5.295 4.020 5.587 . 0 0 "[ . 1 . 2]" 1
889 1 44 TYR HB2 1 48 VAL QG . . 5.490 3.319 2.986 3.714 . 0 0 "[ . 1 . 2]" 1
890 1 44 TYR HB2 1 48 VAL MG2 . . 6.740 3.365 3.007 3.931 . 0 0 "[ . 1 . 2]" 1
891 1 44 TYR HB3 1 45 GLY H . . 4.060 2.841 2.624 3.162 . 0 0 "[ . 1 . 2]" 1
892 1 44 TYR HB3 1 47 ARG H . . 4.340 3.410 3.167 3.674 . 0 0 "[ . 1 . 2]" 1
893 1 44 TYR HB3 1 48 VAL MG1 . . 6.850 4.745 3.980 4.958 . 0 0 "[ . 1 . 2]" 1
894 1 44 TYR HB3 1 48 VAL QG . . 5.440 3.109 2.874 3.233 . 0 0 "[ . 1 . 2]" 1
895 1 44 TYR HB3 1 48 VAL MG2 . . 6.850 3.154 2.948 3.280 . 0 0 "[ . 1 . 2]" 1
896 1 44 TYR HB3 1 50 VAL MG2 . . 4.940 3.847 3.560 3.959 . 0 0 "[ . 1 . 2]" 1
897 1 44 TYR QD 1 45 GLY H . . 7.170 3.910 3.644 3.988 . 0 0 "[ . 1 . 2]" 1
898 1 44 TYR QD 1 48 VAL QG . . 9.250 4.144 3.907 4.297 . 0 0 "[ . 1 . 2]" 1
899 1 44 TYR QD 1 50 VAL HB . . 8.140 3.726 3.382 3.988 . 0 0 "[ . 1 . 2]" 1
900 1 44 TYR QD 1 50 VAL MG1 . . 7.400 3.706 3.298 3.946 . 0 0 "[ . 1 . 2]" 1
901 1 44 TYR QD 1 50 VAL MG2 . . 7.480 2.481 2.104 3.058 . 0 0 "[ . 1 . 2]" 1
902 1 44 TYR QE 1 48 VAL QG . . 10.720 5.499 5.242 5.719 . 0 0 "[ . 1 . 2]" 1
903 1 44 TYR QE 1 50 VAL MG1 . . 6.960 2.408 2.052 3.372 . 0 0 "[ . 1 . 2]" 1
904 1 44 TYR QE 1 50 VAL MG2 . . 8.870 3.047 2.406 3.997 . 0 0 "[ . 1 . 2]" 1
905 1 45 GLY H 1 45 GLY HA2 . . 2.900 2.247 2.246 2.249 . 0 0 "[ . 1 . 2]" 1
906 1 45 GLY H 1 45 GLY QA . . 2.580 2.159 2.153 2.165 . 0 0 "[ . 1 . 2]" 1
907 1 45 GLY H 1 45 GLY HA3 . . 2.900 2.794 2.752 2.822 . 0 0 "[ . 1 . 2]" 1
908 1 45 GLY H 1 46 LEU H . . 5.240 4.064 3.924 4.202 . 0 0 "[ . 1 . 2]" 1
909 1 45 GLY H 1 47 ARG H . . 5.530 4.226 4.099 4.363 . 0 0 "[ . 1 . 2]" 1
910 1 45 GLY H 1 48 VAL QG . . 6.000 3.161 2.852 3.388 . 0 0 "[ . 1 . 2]" 1
911 1 45 GLY QA 1 48 VAL QG . . 6.600 3.107 2.753 3.345 . 0 0 "[ . 1 . 2]" 1
912 1 45 GLY HA2 1 48 VAL MG1 . . 8.560 5.771 4.943 6.120 . 0 0 "[ . 1 . 2]" 1
913 1 45 GLY HA2 1 48 VAL MG2 . . 8.560 3.211 2.813 3.462 . 0 0 "[ . 1 . 2]" 1
914 1 45 GLY HA3 1 48 VAL MG1 . . 8.560 6.814 6.095 7.108 . 0 0 "[ . 1 . 2]" 1
915 1 45 GLY HA3 1 48 VAL MG2 . . 8.560 4.309 4.029 4.594 . 0 0 "[ . 1 . 2]" 1
916 1 46 LEU H 1 46 LEU HB2 . . 3.480 2.103 2.028 2.187 . 0 0 "[ . 1 . 2]" 1
917 1 46 LEU H 1 46 LEU HB3 . . 3.620 3.255 3.060 3.404 . 0 0 "[ . 1 . 2]" 1
918 1 46 LEU H 1 46 LEU MD1 . . 5.520 4.214 4.093 4.344 . 0 0 "[ . 1 . 2]" 1
919 1 46 LEU H 1 46 LEU QD . . 4.980 2.797 2.334 3.117 . 0 0 "[ . 1 . 2]" 1
920 1 46 LEU H 1 46 LEU MD2 . . 5.520 2.845 2.347 3.202 . 0 0 "[ . 1 . 2]" 1
921 1 46 LEU H 1 46 LEU HG . . 4.600 4.309 4.132 4.481 . 0 0 "[ . 1 . 2]" 1
922 1 46 LEU H 1 47 ARG H . . 2.650 2.277 2.102 2.502 . 0 0 "[ . 1 . 2]" 1
923 1 46 LEU H 1 47 ARG HB2 . . 4.740 4.511 4.267 4.767 0.027 15 0 "[ . 1 . 2]" 1
924 1 46 LEU H 1 47 ARG QG . . 6.630 4.325 3.719 4.773 . 0 0 "[ . 1 . 2]" 1
925 1 46 LEU H 1 48 VAL H . . 4.380 4.359 4.259 4.406 0.026 19 0 "[ . 1 . 2]" 1
926 1 46 LEU HA 1 46 LEU QD . . 3.930 1.969 1.887 2.070 . 0 0 "[ . 1 . 2]" 1
927 1 46 LEU HA 1 47 ARG H . . 3.550 3.534 3.498 3.572 0.022 9 0 "[ . 1 . 2]" 1
928 1 46 LEU HA 1 48 VAL H . . 4.310 3.479 3.431 3.524 . 0 0 "[ . 1 . 2]" 1
929 1 46 LEU HB2 1 46 LEU HG . . 2.510 2.415 2.355 2.445 . 0 0 "[ . 1 . 2]" 1
930 1 46 LEU HB2 1 47 ARG H . . 3.590 3.360 3.169 3.529 . 0 0 "[ . 1 . 2]" 1
931 1 46 LEU HB3 1 46 LEU HG . . 2.540 2.448 2.418 2.516 . 0 0 "[ . 1 . 2]" 1
932 1 46 LEU HB3 1 47 ARG H . . 3.700 3.467 3.149 3.706 0.006 17 0 "[ . 1 . 2]" 1
933 1 46 LEU HB3 1 48 VAL QG . . 8.260 5.746 4.860 5.914 . 0 0 "[ . 1 . 2]" 1
934 1 46 LEU MD1 1 47 ARG H . . 7.030 4.652 4.407 4.835 . 0 0 "[ . 1 . 2]" 1
935 1 46 LEU MD2 1 47 ARG H . . 7.030 4.486 4.247 4.705 . 0 0 "[ . 1 . 2]" 1
936 1 46 LEU HG 1 47 ARG H . . 6.000 5.493 5.383 5.575 . 0 0 "[ . 1 . 2]" 1
937 1 47 ARG H 1 47 ARG HB2 . . 3.410 2.442 2.340 2.587 . 0 0 "[ . 1 . 2]" 1
938 1 47 ARG H 1 47 ARG HB3 . . 3.550 3.598 3.567 3.619 0.069 2 0 "[ . 1 . 2]" 1
939 1 47 ARG H 1 47 ARG HD3 . . 4.780 3.200 2.977 3.454 . 0 0 "[ . 1 . 2]" 1
940 1 47 ARG H 1 47 ARG HG2 . . 4.700 4.039 3.790 4.192 . 0 0 "[ . 1 . 2]" 1
941 1 47 ARG H 1 47 ARG QG . . 3.940 2.779 2.337 3.041 . 0 0 "[ . 1 . 2]" 1
942 1 47 ARG H 1 47 ARG HG3 . . 4.700 2.834 2.359 3.122 . 0 0 "[ . 1 . 2]" 1
943 1 47 ARG H 1 48 VAL H . . 3.080 3.077 2.984 3.119 0.039 17 0 "[ . 1 . 2]" 1
944 1 47 ARG H 1 48 VAL HA . . 5.350 4.627 4.577 4.650 . 0 0 "[ . 1 . 2]" 1
945 1 47 ARG H 1 48 VAL QG . . 7.540 4.208 3.382 4.403 . 0 0 "[ . 1 . 2]" 1
946 1 47 ARG HA 1 47 ARG HB3 . . 3.010 2.534 2.456 2.598 . 0 0 "[ . 1 . 2]" 1
947 1 47 ARG HA 1 47 ARG HG2 . . 3.300 3.221 3.150 3.302 0.002 8 0 "[ . 1 . 2]" 1
948 1 47 ARG HA 1 47 ARG QG . . 2.970 2.335 2.218 2.513 . 0 0 "[ . 1 . 2]" 1
949 1 47 ARG HA 1 47 ARG HG3 . . 3.300 2.400 2.260 2.638 . 0 0 "[ . 1 . 2]" 1
950 1 47 ARG HA 1 48 VAL QG . . 8.590 4.633 4.096 4.715 . 0 0 "[ . 1 . 2]" 1
951 1 47 ARG HA 1 50 VAL MG2 . . 6.850 3.251 3.053 3.380 . 0 0 "[ . 1 . 2]" 1
952 1 47 ARG HB2 1 48 VAL H . . 4.560 4.249 4.202 4.297 . 0 0 "[ . 1 . 2]" 1
953 1 47 ARG HB2 1 50 VAL MG2 . . 4.220 2.815 2.533 3.130 . 0 0 "[ . 1 . 2]" 1
954 1 47 ARG HB3 1 47 ARG HE . . 5.320 4.325 3.990 4.986 . 0 0 "[ . 1 . 2]" 1
955 1 47 ARG HB3 1 48 VAL H . . 4.630 4.528 4.484 4.580 . 0 0 "[ . 1 . 2]" 1
956 1 47 ARG HB3 1 50 VAL MG2 . . 4.000 1.927 1.850 2.078 . 0 0 "[ . 1 . 2]" 1
957 1 47 ARG HD3 1 48 VAL H . . 6.000 5.872 5.706 6.002 0.002 5 0 "[ . 1 . 2]" 1
958 1 47 ARG QG 1 48 VAL H . . 5.580 4.545 4.453 4.597 . 0 0 "[ . 1 . 2]" 1
959 1 47 ARG HG2 1 48 VAL H . . 6.000 5.809 5.703 5.856 . 0 0 "[ . 1 . 2]" 1
960 1 47 ARG HG3 1 48 VAL H . . 6.000 4.747 4.648 4.807 . 0 0 "[ . 1 . 2]" 1
961 1 48 VAL H 1 48 VAL HB . . 4.160 2.113 2.016 2.700 . 0 0 "[ . 1 . 2]" 1
962 1 48 VAL H 1 48 VAL MG1 . . 4.290 3.524 3.458 3.671 . 0 0 "[ . 1 . 2]" 1
963 1 48 VAL H 1 48 VAL QG . . 3.620 2.610 1.845 2.751 . 0 0 "[ . 1 . 2]" 1
964 1 48 VAL H 1 48 VAL MG2 . . 4.290 2.707 1.850 2.883 . 0 0 "[ . 1 . 2]" 1
965 1 48 VAL H 1 49 PRO QD . . 6.880 2.109 1.948 2.222 . 0 0 "[ . 1 . 2]" 1
966 1 48 VAL HA 1 50 VAL H . . 4.270 4.187 3.891 4.282 0.012 4 0 "[ . 1 . 2]" 1
967 1 48 VAL QG 1 49 PRO QD . . 5.780 2.238 2.041 2.647 . 0 0 "[ . 1 . 2]" 1
968 1 48 VAL QG 1 50 VAL H . . 8.590 3.977 3.883 4.184 . 0 0 "[ . 1 . 2]" 1
969 1 48 VAL MG1 1 49 PRO HD2 . . 6.980 3.646 3.434 4.538 . 0 0 "[ . 1 . 2]" 1
970 1 48 VAL MG1 1 49 PRO HD3 . . 6.980 2.386 2.070 3.644 . 0 0 "[ . 1 . 2]" 1
971 1 48 VAL MG2 1 49 PRO HD2 . . 6.980 4.279 3.438 4.390 . 0 0 "[ . 1 . 2]" 1
972 1 48 VAL MG2 1 49 PRO HD3 . . 6.980 3.580 2.685 3.681 . 0 0 "[ . 1 . 2]" 1
973 1 49 PRO QB 1 61 TRP H . . 6.880 5.542 5.222 5.872 . 0 0 "[ . 1 . 2]" 1
974 1 49 PRO QB 1 61 TRP HE3 . . 6.660 2.401 2.065 2.948 . 0 0 "[ . 1 . 2]" 1
975 1 49 PRO QD 1 50 VAL MG2 . . 7.910 3.600 3.399 3.722 . 0 0 "[ . 1 . 2]" 1
976 1 49 PRO QG 1 61 TRP QB . . 6.820 2.528 2.077 2.807 . 0 0 "[ . 1 . 2]" 1
977 1 49 PRO QG 1 61 TRP HE1 . . 6.880 4.343 3.935 4.887 . 0 0 "[ . 1 . 2]" 1
978 1 49 PRO QG 1 61 TRP HE3 . . 5.200 3.599 3.175 4.405 . 0 0 "[ . 1 . 2]" 1
979 1 49 PRO HG2 1 61 TRP HB2 . . 7.750 2.593 2.110 2.896 . 0 0 "[ . 1 . 2]" 1
980 1 49 PRO HG2 1 61 TRP HB3 . . 7.750 3.803 3.332 4.164 . 0 0 "[ . 1 . 2]" 1
981 1 49 PRO HG2 1 61 TRP HE3 . . 5.570 3.748 3.266 4.682 . 0 0 "[ . 1 . 2]" 1
982 1 49 PRO HG3 1 61 TRP HB2 . . 7.750 4.265 3.815 4.581 . 0 0 "[ . 1 . 2]" 1
983 1 49 PRO HG3 1 61 TRP HB3 . . 7.750 5.534 5.066 5.913 . 0 0 "[ . 1 . 2]" 1
984 1 49 PRO HG3 1 61 TRP HE3 . . 5.570 4.667 4.271 5.364 . 0 0 "[ . 1 . 2]" 1
985 1 50 VAL H 1 50 VAL HB . . 3.880 2.378 2.271 2.461 . 0 0 "[ . 1 . 2]" 1
986 1 50 VAL H 1 50 VAL MG2 . . 3.930 3.095 2.917 3.168 . 0 0 "[ . 1 . 2]" 1
987 1 50 VAL H 1 51 LEU H . . 5.750 4.385 4.314 4.484 . 0 0 "[ . 1 . 2]" 1
988 1 50 VAL HA 1 51 LEU H . . 2.760 2.201 2.190 2.246 . 0 0 "[ . 1 . 2]" 1
989 1 50 VAL HA 1 51 LEU HB2 . . 5.140 4.133 4.033 4.314 . 0 0 "[ . 1 . 2]" 1
990 1 50 VAL HA 1 51 LEU HB3 . . 6.000 5.137 4.730 5.356 . 0 0 "[ . 1 . 2]" 1
991 1 50 VAL HA 1 60 ASP HA . . 5.530 4.931 4.655 5.134 . 0 0 "[ . 1 . 2]" 1
992 1 50 VAL HA 1 61 TRP H . . 4.560 4.443 3.931 4.572 0.012 8 0 "[ . 1 . 2]" 1
993 1 50 VAL HB 1 51 LEU H . . 5.460 4.422 4.311 4.458 . 0 0 "[ . 1 . 2]" 1
994 1 50 VAL MG1 1 51 LEU H . . 3.640 2.668 2.451 2.881 . 0 0 "[ . 1 . 2]" 1
995 1 50 VAL MG1 1 52 ARG HA . . 6.090 3.975 3.795 4.275 . 0 0 "[ . 1 . 2]" 1
996 1 50 VAL MG1 1 58 GLU HA . . 6.630 4.103 3.546 4.721 . 0 0 "[ . 1 . 2]" 1
997 1 50 VAL MG1 1 58 GLU HB2 . . 4.620 3.160 2.359 3.891 . 0 0 "[ . 1 . 2]" 1
998 1 50 VAL MG1 1 58 GLU QB . . 4.480 2.507 2.268 2.999 . 0 0 "[ . 1 . 2]" 1
999 1 50 VAL MG1 1 58 GLU HB3 . . 4.620 2.919 2.427 3.894 . 0 0 "[ . 1 . 2]" 1
1000 1 50 VAL MG1 1 58 GLU HG2 . . 7.030 3.701 3.039 5.136 . 0 0 "[ . 1 . 2]" 1
1001 1 50 VAL MG1 1 58 GLU HG3 . . 7.030 4.369 3.910 4.896 . 0 0 "[ . 1 . 2]" 1
1002 1 50 VAL MG1 1 59 LEU H . . 5.440 3.403 2.738 4.141 . 0 0 "[ . 1 . 2]" 1
1003 1 50 VAL MG2 1 51 LEU H . . 4.870 3.817 3.641 3.923 . 0 0 "[ . 1 . 2]" 1
1004 1 50 VAL MG2 1 58 GLU QG . . 7.910 5.155 4.529 5.707 . 0 0 "[ . 1 . 2]" 1
1005 1 50 VAL MG2 1 61 TRP H . . 5.230 3.780 3.116 4.144 . 0 0 "[ . 1 . 2]" 1
1006 1 51 LEU H 1 51 LEU HB2 . . 3.260 2.303 2.135 2.590 . 0 0 "[ . 1 . 2]" 1
1007 1 51 LEU H 1 51 LEU HB3 . . 3.340 2.975 2.575 3.239 . 0 0 "[ . 1 . 2]" 1
1008 1 51 LEU H 1 51 LEU HG . . 4.520 4.168 3.925 4.627 0.107 14 0 "[ . 1 . 2]" 1
1009 1 51 LEU H 1 52 ARG H . . 4.880 4.440 4.386 4.547 . 0 0 "[ . 1 . 2]" 1
1010 1 51 LEU H 1 59 LEU H . . 3.520 3.133 2.896 3.526 0.006 2 0 "[ . 1 . 2]" 1
1011 1 51 LEU H 1 59 LEU QB . . 5.260 3.619 3.143 4.170 . 0 0 "[ . 1 . 2]" 1
1012 1 51 LEU H 1 60 ASP HA . . 5.210 5.191 5.073 5.269 0.059 10 0 "[ . 1 . 2]" 1
1013 1 51 LEU H 1 63 PHE QE . . 8.120 3.417 3.080 3.592 . 0 0 "[ . 1 . 2]" 1
1014 1 51 LEU H 1 63 PHE HZ . . 5.280 5.219 4.935 5.293 0.013 10 0 "[ . 1 . 2]" 1
1015 1 51 LEU HA 1 51 LEU MD1 . . 4.540 3.279 1.833 3.774 . 0 0 "[ . 1 . 2]" 1
1016 1 51 LEU HA 1 51 LEU MD2 . . 4.540 2.526 1.977 3.436 . 0 0 "[ . 1 . 2]" 1
1017 1 51 LEU HA 1 52 ARG H . . 2.540 2.184 2.177 2.225 . 0 0 "[ . 1 . 2]" 1
1018 1 51 LEU HB2 1 52 ARG H . . 4.850 4.558 4.463 4.621 . 0 0 "[ . 1 . 2]" 1
1019 1 51 LEU HB2 1 59 LEU QB . . 4.360 3.171 2.690 3.587 . 0 0 "[ . 1 . 2]" 1
1020 1 51 LEU HB2 1 59 LEU QD . . 7.910 4.015 3.494 4.529 . 0 0 "[ . 1 . 2]" 1
1021 1 51 LEU HB2 1 63 PHE HZ . . 5.890 4.196 4.000 4.385 . 0 0 "[ . 1 . 2]" 1
1022 1 51 LEU HB2 1 71 TRP HH2 . . 5.640 5.241 4.575 5.531 . 0 0 "[ . 1 . 2]" 1
1023 1 51 LEU HB2 1 71 TRP HZ3 . . 5.240 4.851 4.492 5.163 . 0 0 "[ . 1 . 2]" 1
1024 1 51 LEU HB3 1 51 LEU MD1 . . 3.500 2.537 2.247 3.089 . 0 0 "[ . 1 . 2]" 1
1025 1 51 LEU HB3 1 51 LEU MD2 . . 3.500 2.467 2.186 2.839 . 0 0 "[ . 1 . 2]" 1
1026 1 51 LEU HB3 1 52 ARG H . . 4.810 3.951 3.512 4.333 . 0 0 "[ . 1 . 2]" 1
1027 1 51 LEU HB3 1 59 LEU HB2 . . 5.030 3.572 2.937 4.280 . 0 0 "[ . 1 . 2]" 1
1028 1 51 LEU HB3 1 59 LEU QB . . 4.390 2.589 1.974 3.333 . 0 0 "[ . 1 . 2]" 1
1029 1 51 LEU HB3 1 59 LEU HB3 . . 5.030 2.692 1.995 3.476 . 0 0 "[ . 1 . 2]" 1
1030 1 51 LEU HB3 1 59 LEU QD . . 7.550 3.618 2.869 4.519 . 0 0 "[ . 1 . 2]" 1
1031 1 51 LEU HB3 1 63 PHE HZ . . 6.000 5.761 5.400 6.007 0.007 1 0 "[ . 1 . 2]" 1
1032 1 51 LEU HB3 1 71 TRP HH2 . . 6.000 3.602 2.884 3.983 . 0 0 "[ . 1 . 2]" 1
1033 1 51 LEU HB3 1 71 TRP HZ3 . . 3.520 3.386 2.981 3.537 0.017 20 0 "[ . 1 . 2]" 1
1034 1 51 LEU QD 1 52 ARG H . . 5.420 2.352 2.023 2.847 . 0 0 "[ . 1 . 2]" 1
1035 1 51 LEU QD 1 59 LEU QD . . 9.500 3.169 2.679 3.748 . 0 0 "[ . 1 . 2]" 1
1036 1 51 LEU QD 1 63 PHE QE . . 8.730 3.114 2.740 3.428 . 0 0 "[ . 1 . 2]" 1
1037 1 51 LEU QD 1 63 PHE HZ . . 6.690 3.671 3.310 4.074 . 0 0 "[ . 1 . 2]" 1
1038 1 51 LEU QD 1 68 LEU MD1 . . 7.540 1.885 1.724 2.198 . 0 0 "[ . 1 . 2]" 1
1039 1 51 LEU QD 1 68 LEU MD2 . . 7.030 2.356 2.010 2.765 . 0 0 "[ . 1 . 2]" 1
1040 1 51 LEU QD 1 68 LEU HG . . 6.940 2.962 2.603 3.389 . 0 0 "[ . 1 . 2]" 1
1041 1 51 LEU QD 1 71 TRP HZ3 . . 5.340 2.783 1.907 3.193 . 0 0 "[ . 1 . 2]" 1
1042 1 51 LEU MD1 1 52 ARG H . . 6.020 4.151 2.026 5.024 . 0 0 "[ . 1 . 2]" 1
1043 1 51 LEU MD1 1 59 LEU H . . 7.030 4.911 4.576 5.332 . 0 0 "[ . 1 . 2]" 1
1044 1 51 LEU MD1 1 59 LEU MD1 . . 11.200 5.333 3.101 6.414 . 0 0 "[ . 1 . 2]" 1
1045 1 51 LEU MD1 1 59 LEU MD2 . . 11.200 3.789 2.727 5.023 . 0 0 "[ . 1 . 2]" 1
1046 1 51 LEU MD1 1 63 PHE QD . . 9.150 4.604 3.809 6.251 . 0 0 "[ . 1 . 2]" 1
1047 1 51 LEU MD1 1 63 PHE QE . . 9.080 3.577 2.753 5.049 . 0 0 "[ . 1 . 2]" 1
1048 1 51 LEU MD1 1 63 PHE HZ . . 7.030 4.200 3.329 5.808 . 0 0 "[ . 1 . 2]" 1
1049 1 51 LEU MD1 1 68 LEU MD1 . . 7.880 2.456 1.727 4.313 . 0 0 "[ . 1 . 2]" 1
1050 1 51 LEU MD1 1 71 TRP HZ3 . . 6.130 3.214 1.973 3.805 . 0 0 "[ . 1 . 2]" 1
1051 1 51 LEU MD2 1 52 ARG H . . 6.020 3.018 2.140 4.706 . 0 0 "[ . 1 . 2]" 1
1052 1 51 LEU MD2 1 59 LEU H . . 7.030 4.946 4.504 5.752 . 0 0 "[ . 1 . 2]" 1
1053 1 51 LEU MD2 1 59 LEU MD1 . . 11.200 5.959 4.379 6.857 . 0 0 "[ . 1 . 2]" 1
1054 1 51 LEU MD2 1 59 LEU MD2 . . 11.200 4.625 3.315 6.429 . 0 0 "[ . 1 . 2]" 1
1055 1 51 LEU MD2 1 63 PHE QD . . 9.150 5.678 4.162 6.495 . 0 0 "[ . 1 . 2]" 1
1056 1 51 LEU MD2 1 63 PHE QE . . 9.080 4.592 3.044 5.269 . 0 0 "[ . 1 . 2]" 1
1057 1 51 LEU MD2 1 63 PHE HZ . . 7.030 5.366 3.647 5.918 . 0 0 "[ . 1 . 2]" 1
1058 1 51 LEU MD2 1 68 LEU MD1 . . 7.880 3.548 1.841 4.555 . 0 0 "[ . 1 . 2]" 1
1059 1 51 LEU MD2 1 71 TRP HZ3 . . 6.130 3.151 2.209 3.951 . 0 0 "[ . 1 . 2]" 1
1060 1 51 LEU HG 1 52 ARG H . . 4.310 4.237 3.918 4.370 0.060 14 0 "[ . 1 . 2]" 1
1061 1 51 LEU HG 1 71 TRP HZ3 . . 5.860 4.553 1.995 5.858 . 0 0 "[ . 1 . 2]" 1
1062 1 52 ARG H 1 52 ARG HB2 . . 3.910 3.429 2.769 3.849 . 0 0 "[ . 1 . 2]" 1
1063 1 52 ARG H 1 52 ARG QB . . 3.740 2.720 2.389 3.071 . 0 0 "[ . 1 . 2]" 1
1064 1 52 ARG H 1 52 ARG HB3 . . 3.910 2.863 2.553 3.227 . 0 0 "[ . 1 . 2]" 1
1065 1 52 ARG H 1 53 ASP H . . 5.890 4.491 4.373 4.548 . 0 0 "[ . 1 . 2]" 1
1066 1 52 ARG HA 1 53 ASP H . . 2.900 2.414 2.318 2.543 . 0 0 "[ . 1 . 2]" 1
1067 1 52 ARG HA 1 58 GLU HA . . 3.300 2.116 1.974 2.569 . 0 0 "[ . 1 . 2]" 1
1068 1 52 ARG HA 1 58 GLU HG2 . . 5.460 3.813 2.081 5.256 . 0 0 "[ . 1 . 2]" 1
1069 1 52 ARG HA 1 58 GLU QG . . 4.950 3.405 2.070 4.480 . 0 0 "[ . 1 . 2]" 1
1070 1 52 ARG HA 1 58 GLU HG3 . . 5.460 4.313 2.422 5.126 . 0 0 "[ . 1 . 2]" 1
1071 1 52 ARG HA 1 59 LEU H . . 4.310 3.728 3.492 4.135 . 0 0 "[ . 1 . 2]" 1
1072 1 52 ARG HA 1 71 TRP HH2 . . 5.530 3.128 2.640 3.762 . 0 0 "[ . 1 . 2]" 1
1073 1 52 ARG QB 1 52 ARG HD2 . . 3.870 2.321 1.992 2.958 . 0 0 "[ . 1 . 2]" 1
1074 1 52 ARG QB 1 53 ASP H . . 3.850 2.996 2.405 3.590 . 0 0 "[ . 1 . 2]" 1
1075 1 52 ARG QB 1 58 GLU QG . . 5.310 3.463 2.138 4.293 . 0 0 "[ . 1 . 2]" 1
1076 1 52 ARG HB2 1 52 ARG HD2 . . 4.090 2.668 2.049 3.338 . 0 0 "[ . 1 . 2]" 1
1077 1 52 ARG HB2 1 53 ASP H . . 4.090 3.249 2.430 4.150 0.060 12 0 "[ . 1 . 2]" 1
1078 1 52 ARG HB2 1 58 GLU HG2 . . 6.310 4.168 2.423 5.650 . 0 0 "[ . 1 . 2]" 1
1079 1 52 ARG HB2 1 58 GLU HG3 . . 6.310 4.741 2.567 5.986 . 0 0 "[ . 1 . 2]" 1
1080 1 52 ARG HB3 1 52 ARG HD2 . . 4.090 2.850 2.014 4.007 . 0 0 "[ . 1 . 2]" 1
1081 1 52 ARG HB3 1 53 ASP H . . 4.090 3.927 3.769 4.169 0.079 16 0 "[ . 1 . 2]" 1
1082 1 52 ARG HB3 1 58 GLU HG2 . . 6.310 4.563 2.395 6.206 . 0 0 "[ . 1 . 2]" 1
1083 1 52 ARG HB3 1 58 GLU HG3 . . 6.310 5.277 3.232 6.207 . 0 0 "[ . 1 . 2]" 1
1084 1 52 ARG HG2 1 53 ASP H . . 4.920 3.788 1.924 4.942 0.022 17 0 "[ . 1 . 2]" 1
1085 1 52 ARG HG3 1 53 ASP H . . 4.920 3.521 1.947 4.080 . 0 0 "[ . 1 . 2]" 1
1086 1 53 ASP H 1 53 ASP HB2 . . 3.910 2.884 2.227 3.586 . 0 0 "[ . 1 . 2]" 1
1087 1 53 ASP H 1 53 ASP QB . . 3.750 2.682 2.198 3.162 . 0 0 "[ . 1 . 2]" 1
1088 1 53 ASP H 1 53 ASP HB3 . . 3.910 3.426 3.250 3.797 . 0 0 "[ . 1 . 2]" 1
1089 1 53 ASP H 1 56 GLY H . . 4.960 3.983 3.693 5.010 0.050 20 0 "[ . 1 . 2]" 1
1090 1 53 ASP H 1 57 ARG H . . 4.020 2.877 2.542 3.585 . 0 0 "[ . 1 . 2]" 1
1091 1 53 ASP H 1 58 GLU HA . . 3.840 3.499 3.091 3.853 0.013 9 0 "[ . 1 . 2]" 1
1092 1 53 ASP H 1 71 TRP HH2 . . 3.700 3.495 3.017 3.719 0.019 17 0 "[ . 1 . 2]" 1
1093 1 53 ASP H 1 71 TRP HZ2 . . 4.810 4.140 3.116 4.641 . 0 0 "[ . 1 . 2]" 1
1094 1 53 ASP HA 1 54 PRO HD2 . . 3.800 2.962 2.869 3.031 . 0 0 "[ . 1 . 2]" 1
1095 1 53 ASP HA 1 54 PRO QD . . 3.380 2.130 2.065 2.181 . 0 0 "[ . 1 . 2]" 1
1096 1 53 ASP HA 1 54 PRO HD3 . . 3.800 2.184 2.117 2.236 . 0 0 "[ . 1 . 2]" 1
1097 1 53 ASP HA 1 54 PRO QG . . 5.610 4.110 4.053 4.155 . 0 0 "[ . 1 . 2]" 1
1098 1 53 ASP QB 1 54 PRO QD . . 4.060 1.972 1.868 2.173 . 0 0 "[ . 1 . 2]" 1
1099 1 53 ASP QB 1 55 MET H . . 5.040 2.214 2.040 3.068 . 0 0 "[ . 1 . 2]" 1
1100 1 53 ASP QB 1 71 TRP HH2 . . 5.380 3.212 2.450 4.128 . 0 0 "[ . 1 . 2]" 1
1101 1 53 ASP QB 1 71 TRP HZ2 . . 5.520 3.958 2.824 4.914 . 0 0 "[ . 1 . 2]" 1
1102 1 53 ASP QB 1 71 TRP HZ3 . . 6.770 4.484 3.852 5.074 . 0 0 "[ . 1 . 2]" 1
1103 1 53 ASP HB2 1 54 PRO HD2 . . 4.420 2.869 1.936 3.688 . 0 0 "[ . 1 . 2]" 1
1104 1 53 ASP HB2 1 54 PRO HD3 . . 4.420 3.720 3.035 4.311 . 0 0 "[ . 1 . 2]" 1
1105 1 53 ASP HB2 1 71 TRP HH2 . . 6.000 3.866 2.468 5.018 . 0 0 "[ . 1 . 2]" 1
1106 1 53 ASP HB2 1 71 TRP HZ2 . . 6.000 4.443 2.851 5.696 . 0 0 "[ . 1 . 2]" 1
1107 1 53 ASP HB3 1 54 PRO HD2 . . 4.420 2.374 1.976 2.984 . 0 0 "[ . 1 . 2]" 1
1108 1 53 ASP HB3 1 54 PRO HD3 . . 4.420 3.178 2.666 3.441 . 0 0 "[ . 1 . 2]" 1
1109 1 53 ASP HB3 1 71 TRP HH2 . . 6.000 4.075 2.712 4.938 . 0 0 "[ . 1 . 2]" 1
1110 1 53 ASP HB3 1 71 TRP HZ2 . . 6.000 4.996 3.969 6.013 0.013 20 0 "[ . 1 . 2]" 1
1111 1 54 PRO QB 1 55 MET H . . 4.220 3.372 2.730 3.548 . 0 0 "[ . 1 . 2]" 1
1112 1 54 PRO HB2 1 55 MET H . . 4.420 3.518 2.785 3.727 . 0 0 "[ . 1 . 2]" 1
1113 1 54 PRO HB3 1 55 MET H . . 4.420 4.341 3.927 4.456 0.036 12 0 "[ . 1 . 2]" 1
1114 1 54 PRO QD 1 55 MET H . . 4.270 2.300 2.240 2.431 . 0 0 "[ . 1 . 2]" 1
1115 1 54 PRO QD 1 56 GLY QA . . 7.320 5.522 3.761 5.868 . 0 0 "[ . 1 . 2]" 1
1116 1 54 PRO HD2 1 55 MET H . . 4.520 2.323 2.261 2.459 . 0 0 "[ . 1 . 2]" 1
1117 1 54 PRO HD3 1 55 MET H . . 4.520 3.678 3.655 3.817 . 0 0 "[ . 1 . 2]" 1
1118 1 54 PRO QG 1 55 MET H . . 5.070 3.041 2.356 3.280 . 0 0 "[ . 1 . 2]" 1
1119 1 54 PRO QG 1 56 GLY H . . 6.880 5.181 3.682 5.491 . 0 0 "[ . 1 . 2]" 1
1120 1 55 MET H 1 55 MET HB2 . . 3.700 2.426 1.984 3.704 0.004 16 0 "[ . 1 . 2]" 1
1121 1 55 MET H 1 55 MET QB . . 3.290 2.264 1.968 2.877 . 0 0 "[ . 1 . 2]" 1
1122 1 55 MET H 1 55 MET HB3 . . 3.700 3.355 2.444 3.780 0.080 20 0 "[ . 1 . 2]" 1
1123 1 55 MET H 1 55 MET ME . . 6.520 4.143 2.060 5.264 . 0 0 "[ . 1 . 2]" 1
1124 1 55 MET H 1 55 MET HG2 . . 3.880 3.387 2.071 3.906 0.026 18 0 "[ . 1 . 2]" 1
1125 1 55 MET H 1 55 MET QG . . 3.550 2.696 1.938 3.250 . 0 0 "[ . 1 . 2]" 1
1126 1 55 MET H 1 55 MET HG3 . . 3.880 3.100 1.963 3.863 . 0 0 "[ . 1 . 2]" 1
1127 1 55 MET H 1 56 GLY H . . 2.760 2.562 1.858 2.763 0.003 11 0 "[ . 1 . 2]" 1
1128 1 55 MET H 1 56 GLY HA2 . . 5.820 4.869 4.479 5.013 . 0 0 "[ . 1 . 2]" 1
1129 1 55 MET H 1 56 GLY QA . . 5.280 4.414 3.720 4.588 . 0 0 "[ . 1 . 2]" 1
1130 1 55 MET H 1 56 GLY HA3 . . 5.820 5.085 3.975 5.325 . 0 0 "[ . 1 . 2]" 1
1131 1 55 MET H 1 57 ARG H . . 4.340 4.055 2.878 4.324 . 0 0 "[ . 1 . 2]" 1
1132 1 55 MET HA 1 55 MET ME . . 5.440 3.873 2.806 4.433 . 0 0 "[ . 1 . 2]" 1
1133 1 55 MET QB 1 57 ARG H . . 6.160 3.853 3.376 4.846 . 0 0 "[ . 1 . 2]" 1
1134 1 55 MET HB2 1 56 GLY H . . 4.310 2.982 2.469 4.212 . 0 0 "[ . 1 . 2]" 1
1135 1 55 MET HB3 1 56 GLY H . . 4.310 3.519 2.917 4.218 . 0 0 "[ . 1 . 2]" 1
1136 1 55 MET ME 1 56 GLY H . . 7.030 5.264 3.855 5.818 . 0 0 "[ . 1 . 2]" 1
1137 1 55 MET ME 1 75 ALA MB . . 6.580 3.748 2.741 4.378 . 0 0 "[ . 1 . 2]" 1
1138 1 55 MET QG 1 56 GLY H . . 5.370 4.036 1.890 4.532 . 0 0 "[ . 1 . 2]" 1
1139 1 55 MET QG 1 57 ARG H . . 6.520 5.367 2.638 5.834 . 0 0 "[ . 1 . 2]" 1
1140 1 55 MET QG 1 75 ALA MB . . 7.910 3.711 2.166 5.717 . 0 0 "[ . 1 . 2]" 1
1141 1 55 MET HG2 1 56 GLY H . . 6.000 4.731 1.931 5.376 . 0 0 "[ . 1 . 2]" 1
1142 1 55 MET HG3 1 56 GLY H . . 6.000 4.510 2.094 5.366 . 0 0 "[ . 1 . 2]" 1
1143 1 56 GLY H 1 57 ARG H . . 3.700 2.071 1.896 2.691 . 0 0 "[ . 1 . 2]" 1
1144 1 56 GLY H 1 57 ARG QG . . 5.190 3.497 2.683 4.417 . 0 0 "[ . 1 . 2]" 1
1145 1 57 ARG H 1 57 ARG HB2 . . 4.060 3.056 2.657 3.856 . 0 0 "[ . 1 . 2]" 1
1146 1 57 ARG H 1 57 ARG HB3 . . 4.060 3.886 3.585 4.071 0.011 2 0 "[ . 1 . 2]" 1
1147 1 57 ARG H 1 57 ARG HD2 . . 6.000 5.334 4.853 5.569 . 0 0 "[ . 1 . 2]" 1
1148 1 57 ARG H 1 57 ARG HD3 . . 6.000 5.297 5.004 5.532 . 0 0 "[ . 1 . 2]" 1
1149 1 57 ARG H 1 57 ARG HG2 . . 3.550 3.201 2.231 3.543 . 0 0 "[ . 1 . 2]" 1
1150 1 57 ARG H 1 57 ARG QG . . 3.240 2.862 2.191 2.988 . 0 0 "[ . 1 . 2]" 1
1151 1 57 ARG H 1 57 ARG HG3 . . 3.550 3.309 2.981 3.589 0.039 15 0 "[ . 1 . 2]" 1
1152 1 57 ARG H 1 58 GLU H . . 4.490 4.452 4.386 4.617 0.127 20 0 "[ . 1 . 2]" 1
1153 1 57 ARG HA 1 58 GLU H . . 2.800 2.551 2.423 2.878 0.078 20 0 "[ . 1 . 2]" 1
1154 1 57 ARG QB 1 58 GLU H . . 3.400 2.412 1.958 2.667 . 0 0 "[ . 1 . 2]" 1
1155 1 57 ARG QB 1 71 TRP HE1 . . 4.290 2.957 2.552 3.400 . 0 0 "[ . 1 . 2]" 1
1156 1 57 ARG QB 1 71 TRP HZ2 . . 3.900 2.554 2.156 3.413 . 0 0 "[ . 1 . 2]" 1
1157 1 57 ARG HB2 1 58 GLU H . . 3.590 3.343 2.377 3.640 0.050 15 0 "[ . 1 . 2]" 1
1158 1 57 ARG HB2 1 71 TRP HZ2 . . 4.310 2.704 2.239 3.577 . 0 0 "[ . 1 . 2]" 1
1159 1 57 ARG HB3 1 58 GLU H . . 3.590 2.530 2.003 3.608 0.018 11 0 "[ . 1 . 2]" 1
1160 1 57 ARG HB3 1 71 TRP HZ2 . . 4.310 3.291 2.575 4.315 0.005 12 0 "[ . 1 . 2]" 1
1161 1 57 ARG QD 1 71 TRP HE1 . . 5.980 3.808 3.217 4.523 . 0 0 "[ . 1 . 2]" 1
1162 1 57 ARG QG 1 58 GLU H . . 5.170 4.198 3.800 4.336 . 0 0 "[ . 1 . 2]" 1
1163 1 57 ARG HG2 1 58 GLU H . . 5.350 4.522 4.395 4.698 . 0 0 "[ . 1 . 2]" 1
1164 1 57 ARG HG3 1 58 GLU H . . 5.350 5.024 4.014 5.258 . 0 0 "[ . 1 . 2]" 1
1165 1 58 GLU H 1 58 GLU HB2 . . 3.730 3.263 2.631 3.800 0.070 17 0 "[ . 1 . 2]" 1
1166 1 58 GLU H 1 58 GLU QB . . 3.520 2.943 2.581 3.276 . 0 0 "[ . 1 . 2]" 1
1167 1 58 GLU H 1 58 GLU HB3 . . 3.730 3.605 3.088 3.835 0.105 15 0 "[ . 1 . 2]" 1
1168 1 58 GLU H 1 58 GLU HG2 . . 3.910 3.605 1.945 3.920 0.010 12 0 "[ . 1 . 2]" 1
1169 1 58 GLU H 1 58 GLU QG . . 3.630 2.601 1.930 3.329 . 0 0 "[ . 1 . 2]" 1
1170 1 58 GLU H 1 58 GLU HG3 . . 3.910 2.853 1.940 3.656 . 0 0 "[ . 1 . 2]" 1
1171 1 58 GLU H 1 59 LEU H . . 4.450 4.441 4.360 4.528 0.078 16 0 "[ . 1 . 2]" 1
1172 1 58 GLU H 1 71 TRP HZ2 . . 4.340 3.112 2.674 3.907 . 0 0 "[ . 1 . 2]" 1
1173 1 58 GLU HA 1 58 GLU HG2 . . 4.270 3.319 2.180 4.224 . 0 0 "[ . 1 . 2]" 1
1174 1 58 GLU HA 1 58 GLU HG3 . . 4.270 3.441 2.630 4.265 . 0 0 "[ . 1 . 2]" 1
1175 1 58 GLU HA 1 59 LEU H . . 2.760 2.451 2.248 2.582 . 0 0 "[ . 1 . 2]" 1
1176 1 58 GLU HA 1 71 TRP HZ2 . . 4.090 2.581 2.037 3.265 . 0 0 "[ . 1 . 2]" 1
1177 1 58 GLU QB 1 59 LEU H . . 3.840 2.558 2.253 3.106 . 0 0 "[ . 1 . 2]" 1
1178 1 58 GLU QB 1 71 TRP HZ2 . . 6.230 4.276 3.956 4.855 . 0 0 "[ . 1 . 2]" 1
1179 1 58 GLU HB2 1 59 LEU H . . 4.130 3.138 2.277 4.125 . 0 0 "[ . 1 . 2]" 1
1180 1 58 GLU HB3 1 59 LEU H . . 4.130 3.197 2.338 4.007 . 0 0 "[ . 1 . 2]" 1
1181 1 58 GLU QG 1 59 LEU H . . 5.260 4.142 3.815 4.586 . 0 0 "[ . 1 . 2]" 1
1182 1 58 GLU HG2 1 59 LEU H . . 5.750 4.573 3.964 5.367 . 0 0 "[ . 1 . 2]" 1
1183 1 58 GLU HG3 1 59 LEU H . . 5.750 4.888 4.400 5.182 . 0 0 "[ . 1 . 2]" 1
1184 1 59 LEU H 1 59 LEU HB2 . . 3.700 2.918 2.401 3.157 . 0 0 "[ . 1 . 2]" 1
1185 1 59 LEU H 1 59 LEU QB . . 3.520 2.486 2.307 2.628 . 0 0 "[ . 1 . 2]" 1
1186 1 59 LEU H 1 59 LEU HB3 . . 3.700 2.723 2.480 3.038 . 0 0 "[ . 1 . 2]" 1
1187 1 59 LEU H 1 59 LEU HG . . 5.350 4.507 4.297 4.668 . 0 0 "[ . 1 . 2]" 1
1188 1 59 LEU H 1 60 ASP H . . 4.630 4.464 4.385 4.566 . 0 0 "[ . 1 . 2]" 1
1189 1 59 LEU H 1 71 TRP HZ2 . . 4.020 3.767 3.454 3.991 . 0 0 "[ . 1 . 2]" 1
1190 1 59 LEU HA 1 60 ASP H . . 2.650 2.295 2.275 2.307 . 0 0 "[ . 1 . 2]" 1
1191 1 59 LEU HA 1 60 ASP HA . . 4.880 4.238 4.231 4.246 . 0 0 "[ . 1 . 2]" 1
1192 1 59 LEU QB 1 60 ASP H . . 4.220 3.571 3.361 3.634 . 0 0 "[ . 1 . 2]" 1
1193 1 59 LEU QB 1 71 TRP HE1 . . 6.880 3.822 3.169 4.633 . 0 0 "[ . 1 . 2]" 1
1194 1 59 LEU HB2 1 60 ASP H . . 4.450 4.186 4.111 4.346 . 0 0 "[ . 1 . 2]" 1
1195 1 59 LEU HB3 1 60 ASP H . . 4.450 3.884 3.502 4.013 . 0 0 "[ . 1 . 2]" 1
1196 1 59 LEU QD 1 60 ASP H . . 5.000 2.285 1.745 2.787 . 0 0 "[ . 1 . 2]" 1
1197 1 59 LEU QD 1 63 PHE QB . . 6.090 2.452 2.126 2.743 . 0 0 "[ . 1 . 2]" 1
1198 1 59 LEU QD 1 63 PHE QD . . 7.990 2.251 1.971 2.616 . 0 0 "[ . 1 . 2]" 1
1199 1 59 LEU QD 1 64 ASP H . . 7.090 4.198 3.781 4.460 . 0 0 "[ . 1 . 2]" 1
1200 1 59 LEU QD 1 67 ARG QD . . 8.100 4.646 4.159 4.957 . 0 0 "[ . 1 . 2]" 1
1201 1 59 LEU QD 1 67 ARG QG . . 5.920 3.623 3.335 3.755 . 0 0 "[ . 1 . 2]" 1
1202 1 59 LEU QD 1 68 LEU HA . . 8.600 2.013 1.889 2.200 . 0 0 "[ . 1 . 2]" 1
1203 1 59 LEU QD 1 71 TRP H . . 5.620 3.747 3.606 3.962 . 0 0 "[ . 1 . 2]" 1
1204 1 59 LEU QD 1 71 TRP HB2 . . 5.150 2.314 1.988 2.668 . 0 0 "[ . 1 . 2]" 1
1205 1 59 LEU QD 1 71 TRP HD1 . . 5.210 2.762 2.431 3.714 . 0 0 "[ . 1 . 2]" 1
1206 1 59 LEU QD 1 71 TRP HE1 . . 5.830 3.280 2.799 4.144 . 0 0 "[ . 1 . 2]" 1
1207 1 59 LEU QD 1 71 TRP HE3 . . 5.010 2.590 2.186 2.970 . 0 0 "[ . 1 . 2]" 1
1208 1 59 LEU MD1 1 63 PHE HB2 . . 7.030 4.539 3.028 5.107 . 0 0 "[ . 1 . 2]" 1
1209 1 59 LEU MD1 1 63 PHE HB3 . . 7.030 3.769 2.897 4.211 . 0 0 "[ . 1 . 2]" 1
1210 1 59 LEU MD1 1 63 PHE QD . . 8.290 3.747 2.501 4.158 . 0 0 "[ . 1 . 2]" 1
1211 1 59 LEU MD1 1 67 ARG HD2 . . 10.170 6.286 5.521 6.788 . 0 0 "[ . 1 . 2]" 1
1212 1 59 LEU MD1 1 67 ARG HD3 . . 10.170 5.534 4.833 6.616 . 0 0 "[ . 1 . 2]" 1
1213 1 59 LEU MD1 1 67 ARG HG2 . . 7.030 4.158 3.561 4.857 . 0 0 "[ . 1 . 2]" 1
1214 1 59 LEU MD1 1 67 ARG HG3 . . 7.030 5.377 4.970 5.719 . 0 0 "[ . 1 . 2]" 1
1215 1 59 LEU MD1 1 71 TRP H . . 6.740 4.605 3.832 5.018 . 0 0 "[ . 1 . 2]" 1
1216 1 59 LEU MD1 1 71 TRP HB2 . . 6.160 2.536 2.047 2.861 . 0 0 "[ . 1 . 2]" 1
1217 1 59 LEU MD1 1 71 TRP HB3 . . 6.420 3.073 1.970 3.560 . 0 0 "[ . 1 . 2]" 1
1218 1 59 LEU MD1 1 71 TRP HD1 . . 6.240 2.845 2.450 4.288 . 0 0 "[ . 1 . 2]" 1
1219 1 59 LEU MD1 1 71 TRP HE3 . . 5.550 3.967 2.232 4.442 . 0 0 "[ . 1 . 2]" 1
1220 1 59 LEU MD2 1 63 PHE HB2 . . 7.030 3.000 2.518 3.860 . 0 0 "[ . 1 . 2]" 1
1221 1 59 LEU MD2 1 63 PHE HB3 . . 7.030 2.721 2.316 3.123 . 0 0 "[ . 1 . 2]" 1
1222 1 59 LEU MD2 1 63 PHE QD . . 8.290 2.287 1.977 2.648 . 0 0 "[ . 1 . 2]" 1
1223 1 59 LEU MD2 1 67 ARG HD2 . . 10.170 6.097 5.405 6.448 . 0 0 "[ . 1 . 2]" 1
1224 1 59 LEU MD2 1 67 ARG HD3 . . 10.170 5.810 5.105 6.286 . 0 0 "[ . 1 . 2]" 1
1225 1 59 LEU MD2 1 67 ARG HG2 . . 7.030 4.339 3.909 4.680 . 0 0 "[ . 1 . 2]" 1
1226 1 59 LEU MD2 1 67 ARG HG3 . . 7.030 5.458 5.152 5.731 . 0 0 "[ . 1 . 2]" 1
1227 1 59 LEU MD2 1 71 TRP H . . 6.740 4.090 3.790 5.399 . 0 0 "[ . 1 . 2]" 1
1228 1 59 LEU MD2 1 71 TRP HB2 . . 6.160 2.767 2.483 3.568 . 0 0 "[ . 1 . 2]" 1
1229 1 59 LEU MD2 1 71 TRP HB3 . . 6.420 2.444 1.991 3.969 . 0 0 "[ . 1 . 2]" 1
1230 1 59 LEU MD2 1 71 TRP HD1 . . 6.240 4.176 3.928 4.499 . 0 0 "[ . 1 . 2]" 1
1231 1 59 LEU MD2 1 71 TRP HE3 . . 5.550 2.860 2.197 4.653 . 0 0 "[ . 1 . 2]" 1
1232 1 59 LEU HG 1 60 ASP H . . 3.880 2.673 2.370 3.893 0.013 6 0 "[ . 1 . 2]" 1
1233 1 59 LEU HG 1 63 PHE QD . . 6.750 2.534 2.000 4.711 . 0 0 "[ . 1 . 2]" 1
1234 1 60 ASP H 1 60 ASP HB2 . . 3.440 2.326 2.003 3.529 0.089 7 0 "[ . 1 . 2]" 1
1235 1 60 ASP H 1 60 ASP QB . . 3.100 2.160 1.983 2.754 . 0 0 "[ . 1 . 2]" 1
1236 1 60 ASP H 1 60 ASP HB3 . . 3.440 3.093 2.338 3.496 0.056 20 0 "[ . 1 . 2]" 1
1237 1 60 ASP H 1 61 TRP H . . 5.820 4.657 4.613 4.671 . 0 0 "[ . 1 . 2]" 1
1238 1 60 ASP HA 1 61 TRP H . . 2.690 2.414 2.294 2.518 . 0 0 "[ . 1 . 2]" 1
1239 1 60 ASP QB 1 61 TRP H . . 4.320 3.058 2.530 3.448 . 0 0 "[ . 1 . 2]" 1
1240 1 60 ASP QB 1 63 PHE QD . . 9.000 4.175 3.905 4.736 . 0 0 "[ . 1 . 2]" 1
1241 1 60 ASP HB2 1 61 TRP H . . 4.600 3.968 2.561 4.471 . 0 0 "[ . 1 . 2]" 1
1242 1 60 ASP HB3 1 61 TRP H . . 4.600 3.304 2.664 3.935 . 0 0 "[ . 1 . 2]" 1
1243 1 61 TRP H 1 61 TRP HB2 . . 3.230 3.045 2.938 3.126 . 0 0 "[ . 1 . 2]" 1
1244 1 61 TRP H 1 61 TRP QB . . 2.980 2.015 1.998 2.059 . 0 0 "[ . 1 . 2]" 1
1245 1 61 TRP H 1 61 TRP HB3 . . 3.230 2.045 2.022 2.103 . 0 0 "[ . 1 . 2]" 1
1246 1 61 TRP H 1 61 TRP HD1 . . 6.000 4.417 4.296 4.587 . 0 0 "[ . 1 . 2]" 1
1247 1 61 TRP H 1 63 PHE QD . . 8.120 5.202 5.059 5.330 . 0 0 "[ . 1 . 2]" 1
1248 1 61 TRP HA 1 61 TRP HE3 . . 5.030 2.406 2.346 2.470 . 0 0 "[ . 1 . 2]" 1
1249 1 61 TRP HA 1 63 PHE QD . . 5.890 4.133 3.964 4.229 . 0 0 "[ . 1 . 2]" 1
1250 1 61 TRP HA 1 63 PHE QE . . 7.980 3.050 2.911 3.319 . 0 0 "[ . 1 . 2]" 1
1251 1 61 TRP HZ3 1 63 PHE QE . . 8.120 2.522 2.347 2.902 . 0 0 "[ . 1 . 2]" 1
1252 1 63 PHE H 1 63 PHE HB2 . . 3.840 3.677 3.611 3.734 . 0 0 "[ . 1 . 2]" 1
1253 1 63 PHE H 1 63 PHE QB . . 3.520 3.231 3.162 3.287 . 0 0 "[ . 1 . 2]" 1
1254 1 63 PHE H 1 63 PHE HB3 . . 3.840 3.581 3.480 3.663 . 0 0 "[ . 1 . 2]" 1
1255 1 63 PHE H 1 64 ASP H . . 4.600 4.360 4.341 4.389 . 0 0 "[ . 1 . 2]" 1
1256 1 63 PHE HA 1 64 ASP H . . 3.050 2.711 2.553 2.766 . 0 0 "[ . 1 . 2]" 1
1257 1 63 PHE HA 1 67 ARG HB2 . . 4.490 4.507 4.441 4.527 0.037 16 0 "[ . 1 . 2]" 1
1258 1 63 PHE HA 1 67 ARG HB3 . . 4.490 3.608 3.528 3.666 . 0 0 "[ . 1 . 2]" 1
1259 1 63 PHE HA 1 67 ARG HD2 . . 5.060 4.036 3.528 4.582 . 0 0 "[ . 1 . 2]" 1
1260 1 63 PHE HA 1 67 ARG QD . . 4.770 3.623 3.249 3.903 . 0 0 "[ . 1 . 2]" 1
1261 1 63 PHE HA 1 67 ARG HD3 . . 5.060 4.127 3.801 4.485 . 0 0 "[ . 1 . 2]" 1
1262 1 63 PHE QB 1 64 ASP H . . 3.430 2.030 1.926 2.351 . 0 0 "[ . 1 . 2]" 1
1263 1 63 PHE QB 1 67 ARG QB . . 5.960 2.830 2.710 2.968 . 0 0 "[ . 1 . 2]" 1
1264 1 63 PHE QB 1 67 ARG QD . . 5.620 4.207 3.877 4.484 . 0 0 "[ . 1 . 2]" 1
1265 1 63 PHE QB 1 67 ARG QG . . 7.610 4.011 3.881 4.170 . 0 0 "[ . 1 . 2]" 1
1266 1 63 PHE QB 1 68 LEU H . . 5.370 3.728 3.681 3.813 . 0 0 "[ . 1 . 2]" 1
1267 1 63 PHE QB 1 68 LEU QB . . 7.750 2.590 2.400 2.704 . 0 0 "[ . 1 . 2]" 1
1268 1 63 PHE HB2 1 64 ASP H . . 3.770 2.050 1.940 2.395 . 0 0 "[ . 1 . 2]" 1
1269 1 63 PHE HB2 1 67 ARG HB2 . . 6.990 4.414 4.260 4.588 . 0 0 "[ . 1 . 2]" 1
1270 1 63 PHE HB2 1 67 ARG HB3 . . 6.990 2.987 2.834 3.170 . 0 0 "[ . 1 . 2]" 1
1271 1 63 PHE HB2 1 67 ARG HD2 . . 6.000 5.129 4.737 5.540 . 0 0 "[ . 1 . 2]" 1
1272 1 63 PHE HB2 1 67 ARG HD3 . . 6.000 5.471 5.144 5.879 . 0 0 "[ . 1 . 2]" 1
1273 1 63 PHE HB3 1 64 ASP H . . 3.770 3.304 3.238 3.427 . 0 0 "[ . 1 . 2]" 1
1274 1 63 PHE HB3 1 67 ARG HB2 . . 6.990 5.306 5.196 5.427 . 0 0 "[ . 1 . 2]" 1
1275 1 63 PHE HB3 1 67 ARG HB3 . . 6.990 3.756 3.646 3.843 . 0 0 "[ . 1 . 2]" 1
1276 1 63 PHE HB3 1 67 ARG HD2 . . 6.000 5.438 4.942 5.983 . 0 0 "[ . 1 . 2]" 1
1277 1 63 PHE HB3 1 67 ARG HD3 . . 6.000 5.242 4.787 5.547 . 0 0 "[ . 1 . 2]" 1
1278 1 63 PHE QD 1 64 ASP H . . 6.790 3.786 3.608 4.042 . 0 0 "[ . 1 . 2]" 1
1279 1 63 PHE QD 1 67 ARG HD2 . . 8.120 6.525 6.149 6.914 . 0 0 "[ . 1 . 2]" 1
1280 1 63 PHE QD 1 67 ARG HD3 . . 8.120 6.713 6.364 7.008 . 0 0 "[ . 1 . 2]" 1
1281 1 63 PHE QD 1 68 LEU H . . 8.120 5.437 5.253 5.550 . 0 0 "[ . 1 . 2]" 1
1282 1 63 PHE QD 1 68 LEU QB . . 8.860 3.755 3.590 3.866 . 0 0 "[ . 1 . 2]" 1
1283 1 63 PHE QD 1 68 LEU MD2 . . 7.390 4.671 4.506 4.833 . 0 0 "[ . 1 . 2]" 1
1284 1 63 PHE QE 1 68 LEU MD2 . . 7.820 4.592 4.404 4.863 . 0 0 "[ . 1 . 2]" 1
1285 1 63 PHE HZ 1 68 LEU MD2 . . 7.030 5.138 4.860 5.503 . 0 0 "[ . 1 . 2]" 1
1286 1 64 ASP H 1 64 ASP QB . . 3.790 2.685 2.610 2.778 . 0 0 "[ . 1 . 2]" 1
1287 1 64 ASP H 1 65 ALA H . . 5.710 4.366 4.340 4.401 . 0 0 "[ . 1 . 2]" 1
1288 1 64 ASP H 1 66 PRO QD . . 6.230 4.288 4.266 4.312 . 0 0 "[ . 1 . 2]" 1
1289 1 64 ASP H 1 67 ARG H . . 3.660 3.434 3.408 3.465 . 0 0 "[ . 1 . 2]" 1
1290 1 64 ASP H 1 67 ARG HA . . 4.810 4.695 4.660 4.724 . 0 0 "[ . 1 . 2]" 1
1291 1 64 ASP H 1 67 ARG HB2 . . 3.520 2.672 2.531 2.844 . 0 0 "[ . 1 . 2]" 1
1292 1 64 ASP H 1 67 ARG HB3 . . 3.520 1.930 1.918 1.939 . 0 0 "[ . 1 . 2]" 1
1293 1 64 ASP H 1 67 ARG HD2 . . 5.030 3.564 3.223 3.887 . 0 0 "[ . 1 . 2]" 1
1294 1 64 ASP H 1 67 ARG QD . . 4.520 3.424 3.141 3.716 . 0 0 "[ . 1 . 2]" 1
1295 1 64 ASP H 1 67 ARG HD3 . . 5.030 4.456 4.112 4.729 . 0 0 "[ . 1 . 2]" 1
1296 1 64 ASP H 1 67 ARG HG2 . . 6.000 4.049 3.949 4.186 . 0 0 "[ . 1 . 2]" 1
1297 1 64 ASP H 1 67 ARG QG . . 5.350 3.844 3.760 3.944 . 0 0 "[ . 1 . 2]" 1
1298 1 64 ASP H 1 67 ARG HG3 . . 6.000 4.788 4.686 4.872 . 0 0 "[ . 1 . 2]" 1
1299 1 64 ASP H 1 68 LEU H . . 4.200 3.313 3.078 3.561 . 0 0 "[ . 1 . 2]" 1
1300 1 64 ASP HA 1 65 ALA H . . 2.900 2.792 2.685 2.835 . 0 0 "[ . 1 . 2]" 1
1301 1 64 ASP HA 1 65 ALA MB . . 5.660 4.211 4.170 4.251 . 0 0 "[ . 1 . 2]" 1
1302 1 64 ASP HA 1 66 PRO QD . . 6.630 3.725 3.614 3.793 . 0 0 "[ . 1 . 2]" 1
1303 1 64 ASP QB 1 65 ALA H . . 2.820 2.025 1.965 2.197 . 0 0 "[ . 1 . 2]" 1
1304 1 64 ASP QB 1 65 ALA MB . . 5.930 3.516 3.448 3.625 . 0 0 "[ . 1 . 2]" 1
1305 1 64 ASP QB 1 66 PRO QD . . 5.280 1.761 1.752 1.782 . 0 0 "[ . 1 . 2]" 1
1306 1 64 ASP QB 1 67 ARG QB . . 6.310 1.938 1.920 1.950 . 0 0 "[ . 1 . 2]" 1
1307 1 64 ASP QB 1 67 ARG QG . . 7.750 4.132 4.094 4.162 . 0 0 "[ . 1 . 2]" 1
1308 1 64 ASP HB2 1 65 ALA H . . 3.190 2.856 2.776 3.030 . 0 0 "[ . 1 . 2]" 1
1309 1 64 ASP HB2 1 66 PRO HD2 . . 6.130 1.972 1.956 1.987 . 0 0 "[ . 1 . 2]" 1
1310 1 64 ASP HB2 1 66 PRO HD3 . . 6.130 3.707 3.690 3.722 . 0 0 "[ . 1 . 2]" 1
1311 1 64 ASP HB3 1 65 ALA H . . 3.190 2.072 2.010 2.256 . 0 0 "[ . 1 . 2]" 1
1312 1 64 ASP HB3 1 66 PRO HD2 . . 6.130 2.008 1.992 2.058 . 0 0 "[ . 1 . 2]" 1
1313 1 64 ASP HB3 1 66 PRO HD3 . . 6.130 3.262 3.239 3.293 . 0 0 "[ . 1 . 2]" 1
1314 1 65 ALA H 1 65 ALA MB . . 3.430 2.009 1.979 2.056 . 0 0 "[ . 1 . 2]" 1
1315 1 65 ALA H 1 66 PRO HD2 . . 3.620 1.931 1.905 2.052 . 0 0 "[ . 1 . 2]" 1
1316 1 65 ALA H 1 66 PRO QD . . 3.020 1.825 1.806 1.925 . 0 0 "[ . 1 . 2]" 1
1317 1 65 ALA H 1 66 PRO HD3 . . 3.620 2.247 2.228 2.330 . 0 0 "[ . 1 . 2]" 1
1318 1 65 ALA H 1 66 PRO HG2 . . 4.560 4.165 4.143 4.283 . 0 0 "[ . 1 . 2]" 1
1319 1 65 ALA H 1 66 PRO HG3 . . 4.560 4.292 4.272 4.394 . 0 0 "[ . 1 . 2]" 1
1320 1 65 ALA HA 1 67 ARG H . . 5.460 4.177 4.102 4.292 . 0 0 "[ . 1 . 2]" 1
1321 1 65 ALA HA 1 68 LEU H . . 3.550 3.512 3.498 3.561 0.011 17 0 "[ . 1 . 2]" 1
1322 1 65 ALA HA 1 68 LEU HB2 . . 3.880 3.903 3.879 3.939 0.059 19 0 "[ . 1 . 2]" 1
1323 1 65 ALA HA 1 68 LEU QB . . 3.600 2.981 2.895 3.012 . 0 0 "[ . 1 . 2]" 1
1324 1 65 ALA HA 1 68 LEU HB3 . . 3.880 3.093 2.979 3.139 . 0 0 "[ . 1 . 2]" 1
1325 1 65 ALA HA 1 68 LEU MD2 . . 5.010 3.873 3.692 4.020 . 0 0 "[ . 1 . 2]" 1
1326 1 65 ALA HA 1 69 ARG H . . 4.450 4.010 3.932 4.231 . 0 0 "[ . 1 . 2]" 1
1327 1 65 ALA MB 1 66 PRO HB2 . . 7.030 5.057 5.024 5.102 . 0 0 "[ . 1 . 2]" 1
1328 1 65 ALA MB 1 66 PRO QB . . 6.620 4.019 3.978 4.079 . 0 0 "[ . 1 . 2]" 1
1329 1 65 ALA MB 1 66 PRO HB3 . . 7.030 4.218 4.171 4.290 . 0 0 "[ . 1 . 2]" 1
1330 1 65 ALA MB 1 66 PRO QD . . 4.110 1.930 1.898 1.988 . 0 0 "[ . 1 . 2]" 1
1331 1 65 ALA MB 1 66 PRO HG2 . . 6.420 4.395 4.380 4.418 . 0 0 "[ . 1 . 2]" 1
1332 1 65 ALA MB 1 66 PRO QG . . 6.110 3.546 3.507 3.577 . 0 0 "[ . 1 . 2]" 1
1333 1 65 ALA MB 1 66 PRO HG3 . . 6.420 3.742 3.691 3.784 . 0 0 "[ . 1 . 2]" 1
1334 1 65 ALA MB 1 68 LEU MD2 . . 8.060 4.809 4.687 4.906 . 0 0 "[ . 1 . 2]" 1
1335 1 66 PRO HA 1 68 LEU H . . 4.310 4.181 4.101 4.234 . 0 0 "[ . 1 . 2]" 1
1336 1 66 PRO HA 1 69 ARG H . . 3.700 3.373 3.306 3.411 . 0 0 "[ . 1 . 2]" 1
1337 1 66 PRO HA 1 69 ARG HG2 . . 5.930 4.734 4.345 5.761 . 0 0 "[ . 1 . 2]" 1
1338 1 66 PRO HA 1 69 ARG QG . . 5.430 4.299 4.123 4.749 . 0 0 "[ . 1 . 2]" 1
1339 1 66 PRO HA 1 69 ARG HG3 . . 5.930 5.114 4.855 5.421 . 0 0 "[ . 1 . 2]" 1
1340 1 66 PRO QB 1 67 ARG H . . 4.220 3.455 3.386 3.500 . 0 0 "[ . 1 . 2]" 1
1341 1 66 PRO QB 1 70 ALA MB . . 7.800 3.961 3.809 4.122 . 0 0 "[ . 1 . 2]" 1
1342 1 66 PRO HB2 1 67 ARG H . . 4.450 3.614 3.531 3.668 . 0 0 "[ . 1 . 2]" 1
1343 1 66 PRO HB3 1 67 ARG H . . 4.450 4.395 4.350 4.423 . 0 0 "[ . 1 . 2]" 1
1344 1 66 PRO QD 1 67 ARG H . . 4.040 2.294 2.262 2.320 . 0 0 "[ . 1 . 2]" 1
1345 1 66 PRO HD2 1 67 ARG H . . 4.310 2.318 2.283 2.346 . 0 0 "[ . 1 . 2]" 1
1346 1 66 PRO HD3 1 67 ARG H . . 4.310 3.665 3.657 3.673 . 0 0 "[ . 1 . 2]" 1
1347 1 66 PRO QG 1 67 ARG H . . 4.420 3.138 3.038 3.204 . 0 0 "[ . 1 . 2]" 1
1348 1 66 PRO HG2 1 67 ARG H . . 4.670 3.221 3.111 3.294 . 0 0 "[ . 1 . 2]" 1
1349 1 66 PRO HG3 1 67 ARG H . . 4.670 4.327 4.255 4.376 . 0 0 "[ . 1 . 2]" 1
1350 1 67 ARG H 1 67 ARG HB2 . . 3.550 2.191 2.158 2.208 . 0 0 "[ . 1 . 2]" 1
1351 1 67 ARG H 1 67 ARG QB . . 3.240 2.134 2.107 2.146 . 0 0 "[ . 1 . 2]" 1
1352 1 67 ARG H 1 67 ARG HB3 . . 3.550 2.942 2.910 2.984 . 0 0 "[ . 1 . 2]" 1
1353 1 67 ARG H 1 67 ARG HD2 . . 6.000 4.265 4.034 4.439 . 0 0 "[ . 1 . 2]" 1
1354 1 67 ARG H 1 67 ARG QD . . 5.880 4.135 3.925 4.291 . 0 0 "[ . 1 . 2]" 1
1355 1 67 ARG H 1 67 ARG HD3 . . 6.000 5.556 5.375 5.688 . 0 0 "[ . 1 . 2]" 1
1356 1 67 ARG H 1 67 ARG HG2 . . 4.960 4.634 4.594 4.663 . 0 0 "[ . 1 . 2]" 1
1357 1 67 ARG H 1 67 ARG QG . . 4.290 3.850 3.823 3.889 . 0 0 "[ . 1 . 2]" 1
1358 1 67 ARG H 1 67 ARG HG3 . . 4.960 4.115 4.077 4.169 . 0 0 "[ . 1 . 2]" 1
1359 1 67 ARG H 1 68 LEU H . . 3.050 2.349 2.333 2.417 . 0 0 "[ . 1 . 2]" 1
1360 1 67 ARG H 1 69 ARG H . . 4.670 3.830 3.766 3.936 . 0 0 "[ . 1 . 2]" 1
1361 1 67 ARG H 1 70 ALA MB . . 6.630 4.571 4.472 4.683 . 0 0 "[ . 1 . 2]" 1
1362 1 67 ARG HA 1 67 ARG HB2 . . 3.010 2.758 2.739 2.780 . 0 0 "[ . 1 . 2]" 1
1363 1 67 ARG HA 1 67 ARG HB3 . . 3.010 2.994 2.982 3.004 . 0 0 "[ . 1 . 2]" 1
1364 1 67 ARG HA 1 67 ARG HD2 . . 4.990 4.158 3.939 4.309 . 0 0 "[ . 1 . 2]" 1
1365 1 67 ARG HA 1 67 ARG HD3 . . 4.990 4.666 4.612 4.700 . 0 0 "[ . 1 . 2]" 1
1366 1 67 ARG HA 1 67 ARG HG2 . . 4.090 3.064 2.897 3.233 . 0 0 "[ . 1 . 2]" 1
1367 1 67 ARG HA 1 67 ARG QG . . 3.810 2.055 2.006 2.127 . 0 0 "[ . 1 . 2]" 1
1368 1 67 ARG HA 1 67 ARG HG3 . . 4.090 2.089 2.028 2.189 . 0 0 "[ . 1 . 2]" 1
1369 1 67 ARG HA 1 69 ARG H . . 4.490 4.472 4.330 4.517 0.027 3 0 "[ . 1 . 2]" 1
1370 1 67 ARG HA 1 70 ALA H . . 3.660 3.648 3.607 3.689 0.029 20 0 "[ . 1 . 2]" 1
1371 1 67 ARG HA 1 70 ALA MB . . 3.750 2.680 2.578 2.827 . 0 0 "[ . 1 . 2]" 1
1372 1 67 ARG QB 1 68 LEU HA . . 5.190 3.857 3.843 3.869 . 0 0 "[ . 1 . 2]" 1
1373 1 67 ARG HB2 1 68 LEU H . . 3.730 3.582 3.539 3.614 . 0 0 "[ . 1 . 2]" 1
1374 1 67 ARG HB3 1 68 LEU H . . 3.730 2.993 2.955 3.034 . 0 0 "[ . 1 . 2]" 1
1375 1 67 ARG QG 1 68 LEU H . . 5.500 4.413 4.382 4.442 . 0 0 "[ . 1 . 2]" 1
1376 1 67 ARG QG 1 71 TRP HB2 . . 5.440 4.540 4.315 4.856 . 0 0 "[ . 1 . 2]" 1
1377 1 67 ARG HG2 1 68 LEU H . . 5.750 4.892 4.802 4.993 . 0 0 "[ . 1 . 2]" 1
1378 1 67 ARG HG3 1 68 LEU H . . 5.750 5.021 4.939 5.085 . 0 0 "[ . 1 . 2]" 1
1379 1 68 LEU H 1 68 LEU HB2 . . 3.340 2.487 2.462 2.513 . 0 0 "[ . 1 . 2]" 1
1380 1 68 LEU H 1 68 LEU QB . . 2.950 2.221 2.220 2.222 . 0 0 "[ . 1 . 2]" 1
1381 1 68 LEU H 1 68 LEU HB3 . . 3.340 2.499 2.474 2.525 . 0 0 "[ . 1 . 2]" 1
1382 1 68 LEU H 1 68 LEU MD2 . . 5.080 4.178 4.118 4.229 . 0 0 "[ . 1 . 2]" 1
1383 1 68 LEU H 1 68 LEU HG . . 4.810 4.416 4.413 4.420 . 0 0 "[ . 1 . 2]" 1
1384 1 68 LEU H 1 69 ARG H . . 3.160 2.391 2.373 2.401 . 0 0 "[ . 1 . 2]" 1
1385 1 68 LEU H 1 69 ARG HA . . 4.920 4.954 4.938 4.962 0.042 6 0 "[ . 1 . 2]" 1
1386 1 68 LEU H 1 70 ALA H . . 4.270 4.038 3.976 4.144 . 0 0 "[ . 1 . 2]" 1
1387 1 68 LEU H 1 70 ALA MB . . 7.030 4.694 4.568 4.801 . 0 0 "[ . 1 . 2]" 1
1388 1 68 LEU HA 1 68 LEU MD1 . . 4.540 2.929 2.811 3.060 . 0 0 "[ . 1 . 2]" 1
1389 1 68 LEU HA 1 68 LEU MD2 . . 4.440 3.766 3.697 3.803 . 0 0 "[ . 1 . 2]" 1
1390 1 68 LEU HA 1 71 TRP H . . 3.700 3.493 3.422 3.564 . 0 0 "[ . 1 . 2]" 1
1391 1 68 LEU HA 1 71 TRP HB2 . . 3.590 3.592 3.533 3.618 0.028 8 0 "[ . 1 . 2]" 1
1392 1 68 LEU HA 1 71 TRP HB3 . . 3.440 2.692 2.540 2.869 . 0 0 "[ . 1 . 2]" 1
1393 1 68 LEU HA 1 71 TRP HE3 . . 5.860 3.725 3.450 4.034 . 0 0 "[ . 1 . 2]" 1
1394 1 68 LEU HA 1 72 LEU H . . 4.810 4.372 4.209 4.614 . 0 0 "[ . 1 . 2]" 1
1395 1 68 LEU QB 1 69 ARG H . . 4.110 2.733 2.698 2.822 . 0 0 "[ . 1 . 2]" 1
1396 1 68 LEU HB2 1 69 ARG H . . 4.270 3.925 3.895 3.986 . 0 0 "[ . 1 . 2]" 1
1397 1 68 LEU HB3 1 69 ARG H . . 4.270 2.789 2.749 2.886 . 0 0 "[ . 1 . 2]" 1
1398 1 68 LEU MD1 1 69 ARG H . . 7.030 5.039 5.017 5.084 . 0 0 "[ . 1 . 2]" 1
1399 1 68 LEU MD2 1 69 ARG H . . 5.700 3.868 3.674 4.021 . 0 0 "[ . 1 . 2]" 1
1400 1 68 LEU MD2 1 69 ARG HA . . 6.270 3.785 3.598 3.953 . 0 0 "[ . 1 . 2]" 1
1401 1 68 LEU MD2 1 71 TRP H . . 7.030 5.653 5.496 5.796 . 0 0 "[ . 1 . 2]" 1
1402 1 68 LEU MD2 1 71 TRP HB3 . . 7.030 5.111 4.977 5.218 . 0 0 "[ . 1 . 2]" 1
1403 1 68 LEU MD2 1 71 TRP HE3 . . 6.160 4.316 4.051 4.521 . 0 0 "[ . 1 . 2]" 1
1404 1 68 LEU MD2 1 71 TRP HZ3 . . 6.060 4.698 4.302 4.951 . 0 0 "[ . 1 . 2]" 1
1405 1 68 LEU MD2 1 72 LEU H . . 6.740 5.070 4.822 5.282 . 0 0 "[ . 1 . 2]" 1
1406 1 68 LEU MD2 1 72 LEU HB2 . . 7.030 4.955 4.645 5.372 . 0 0 "[ . 1 . 2]" 1
1407 1 68 LEU MD2 1 72 LEU MD1 . . 7.050 2.483 1.969 4.078 . 0 0 "[ . 1 . 2]" 1
1408 1 68 LEU MD2 1 72 LEU QD . . 6.460 2.278 1.959 2.562 . 0 0 "[ . 1 . 2]" 1
1409 1 68 LEU MD2 1 72 LEU MD2 . . 7.050 3.487 2.220 3.955 . 0 0 "[ . 1 . 2]" 1
1410 1 68 LEU MD2 1 72 LEU HG . . 5.260 3.642 3.373 3.998 . 0 0 "[ . 1 . 2]" 1
1411 1 68 LEU HG 1 69 ARG H . . 5.060 4.441 4.397 4.506 . 0 0 "[ . 1 . 2]" 1
1412 1 68 LEU HG 1 72 LEU QD . . 7.340 2.939 2.284 3.392 . 0 0 "[ . 1 . 2]" 1
1413 1 69 ARG H 1 69 ARG HB2 . . 3.080 2.498 2.213 2.659 . 0 0 "[ . 1 . 2]" 1
1414 1 69 ARG H 1 69 ARG HB3 . . 3.080 2.483 2.338 2.789 . 0 0 "[ . 1 . 2]" 1
1415 1 69 ARG H 1 69 ARG HD2 . . 6.000 4.774 4.366 5.244 . 0 0 "[ . 1 . 2]" 1
1416 1 69 ARG H 1 69 ARG QD . . 5.150 4.277 4.145 4.476 . 0 0 "[ . 1 . 2]" 1
1417 1 69 ARG H 1 69 ARG HD3 . . 6.000 4.986 4.433 5.635 . 0 0 "[ . 1 . 2]" 1
1418 1 69 ARG H 1 69 ARG HG2 . . 4.740 4.484 4.225 4.587 . 0 0 "[ . 1 . 2]" 1
1419 1 69 ARG H 1 69 ARG QG . . 4.570 3.934 3.820 3.977 . 0 0 "[ . 1 . 2]" 1
1420 1 69 ARG H 1 69 ARG HG3 . . 4.740 4.364 4.306 4.501 . 0 0 "[ . 1 . 2]" 1
1421 1 69 ARG H 1 70 ALA H . . 3.050 2.641 2.599 2.678 . 0 0 "[ . 1 . 2]" 1
1422 1 69 ARG H 1 70 ALA MB . . 5.910 4.180 4.103 4.256 . 0 0 "[ . 1 . 2]" 1
1423 1 69 ARG HA 1 69 ARG HD2 . . 4.130 2.972 2.211 4.101 . 0 0 "[ . 1 . 2]" 1
1424 1 69 ARG HA 1 69 ARG QD . . 3.870 2.740 2.191 3.521 . 0 0 "[ . 1 . 2]" 1
1425 1 69 ARG HA 1 69 ARG HD3 . . 4.130 3.496 2.451 4.137 0.007 19 0 "[ . 1 . 2]" 1
1426 1 69 ARG HA 1 72 LEU H . . 4.630 3.047 2.974 3.164 . 0 0 "[ . 1 . 2]" 1
1427 1 69 ARG HA 1 72 LEU HA . . 5.240 5.031 4.835 5.183 . 0 0 "[ . 1 . 2]" 1
1428 1 69 ARG HA 1 72 LEU HB2 . . 4.060 2.456 2.164 2.779 . 0 0 "[ . 1 . 2]" 1
1429 1 69 ARG HA 1 72 LEU HB3 . . 4.520 4.042 3.750 4.329 . 0 0 "[ . 1 . 2]" 1
1430 1 69 ARG HA 1 72 LEU MD1 . . 5.190 2.220 1.891 4.450 . 0 0 "[ . 1 . 2]" 1
1431 1 69 ARG HA 1 72 LEU QD . . 4.380 2.056 1.889 2.890 . 0 0 "[ . 1 . 2]" 1
1432 1 69 ARG HA 1 72 LEU MD2 . . 5.190 4.238 2.791 4.424 . 0 0 "[ . 1 . 2]" 1
1433 1 69 ARG HA 1 73 ASP H . . 4.600 4.144 3.791 4.338 . 0 0 "[ . 1 . 2]" 1
1434 1 69 ARG QB 1 70 ALA H . . 3.610 2.439 2.405 2.489 . 0 0 "[ . 1 . 2]" 1
1435 1 69 ARG HB2 1 70 ALA H . . 3.840 3.792 3.581 3.864 0.024 3 0 "[ . 1 . 2]" 1
1436 1 69 ARG HB3 1 70 ALA H . . 3.840 2.470 2.430 2.540 . 0 0 "[ . 1 . 2]" 1
1437 1 69 ARG QD 1 70 ALA H . . 5.510 4.509 3.405 4.977 . 0 0 "[ . 1 . 2]" 1
1438 1 69 ARG QD 1 72 LEU QD . . 9.480 3.078 2.238 4.831 . 0 0 "[ . 1 . 2]" 1
1439 1 69 ARG QG 1 70 ALA H . . 4.820 3.642 3.222 4.343 . 0 0 "[ . 1 . 2]" 1
1440 1 69 ARG HG2 1 70 ALA H . . 5.460 4.310 3.822 4.678 . 0 0 "[ . 1 . 2]" 1
1441 1 69 ARG HG3 1 70 ALA H . . 5.460 4.006 3.324 5.151 . 0 0 "[ . 1 . 2]" 1
1442 1 70 ALA H 1 70 ALA MB . . 3.430 2.104 2.024 2.160 . 0 0 "[ . 1 . 2]" 1
1443 1 70 ALA H 1 71 TRP H . . 3.010 2.699 2.662 2.729 . 0 0 "[ . 1 . 2]" 1
1444 1 70 ALA HA 1 73 ASP H . . 3.910 3.404 3.268 3.631 . 0 0 "[ . 1 . 2]" 1
1445 1 70 ALA HA 1 73 ASP QB . . 4.220 2.775 2.467 3.043 . 0 0 "[ . 1 . 2]" 1
1446 1 70 ALA MB 1 71 TRP H . . 3.570 2.829 2.766 2.890 . 0 0 "[ . 1 . 2]" 1
1447 1 70 ALA MB 1 71 TRP HB2 . . 6.990 4.194 4.048 4.298 . 0 0 "[ . 1 . 2]" 1
1448 1 70 ALA MB 1 71 TRP HB3 . . 6.450 4.652 4.601 4.710 . 0 0 "[ . 1 . 2]" 1
1449 1 70 ALA MB 1 72 LEU H . . 7.030 4.558 4.483 4.663 . 0 0 "[ . 1 . 2]" 1
1450 1 70 ALA MB 1 73 ASP QB . . 7.010 4.100 3.907 4.290 . 0 0 "[ . 1 . 2]" 1
1451 1 70 ALA MB 1 74 ALA H . . 6.810 4.693 4.211 5.211 . 0 0 "[ . 1 . 2]" 1
1452 1 71 TRP H 1 71 TRP HB2 . . 2.760 2.661 2.583 2.731 . 0 0 "[ . 1 . 2]" 1
1453 1 71 TRP H 1 71 TRP HB3 . . 3.050 2.326 2.269 2.369 . 0 0 "[ . 1 . 2]" 1
1454 1 71 TRP H 1 71 TRP HE3 . . 4.380 4.310 4.164 4.403 0.023 2 0 "[ . 1 . 2]" 1
1455 1 71 TRP H 1 72 LEU H . . 3.080 2.443 2.390 2.569 . 0 0 "[ . 1 . 2]" 1
1456 1 71 TRP HA 1 71 TRP HB2 . . 2.760 2.390 2.356 2.416 . 0 0 "[ . 1 . 2]" 1
1457 1 71 TRP HA 1 74 ALA H . . 3.590 3.277 3.129 3.430 . 0 0 "[ . 1 . 2]" 1
1458 1 71 TRP HB2 1 72 LEU H . . 4.270 4.066 3.997 4.166 . 0 0 "[ . 1 . 2]" 1
1459 1 71 TRP HB3 1 71 TRP HE3 . . 4.060 2.416 2.377 2.457 . 0 0 "[ . 1 . 2]" 1
1460 1 71 TRP HB3 1 71 TRP HZ3 . . 6.000 4.850 4.820 4.881 . 0 0 "[ . 1 . 2]" 1
1461 1 71 TRP HB3 1 72 LEU H . . 3.800 2.819 2.694 2.961 . 0 0 "[ . 1 . 2]" 1
1462 1 71 TRP HE3 1 72 LEU H . . 3.260 3.266 3.212 3.336 0.076 3 0 "[ . 1 . 2]" 1
1463 1 71 TRP HE3 1 72 LEU HA . . 4.380 3.408 3.183 3.708 . 0 0 "[ . 1 . 2]" 1
1464 1 71 TRP HE3 1 72 LEU MD1 . . 5.340 3.774 3.402 4.105 . 0 0 "[ . 1 . 2]" 1
1465 1 71 TRP HE3 1 72 LEU QD . . 4.620 2.754 1.859 3.140 . 0 0 "[ . 1 . 2]" 1
1466 1 71 TRP HE3 1 72 LEU MD2 . . 5.340 2.863 1.862 3.352 . 0 0 "[ . 1 . 2]" 1
1467 1 71 TRP HE3 1 72 LEU HG . . 4.920 2.543 1.998 4.698 . 0 0 "[ . 1 . 2]" 1
1468 1 71 TRP HZ2 1 72 LEU QD . . 8.600 5.527 5.090 6.037 . 0 0 "[ . 1 . 2]" 1
1469 1 71 TRP HZ3 1 72 LEU QD . . 6.470 2.488 1.985 2.959 . 0 0 "[ . 1 . 2]" 1
1470 1 72 LEU H 1 72 LEU HB2 . . 3.260 2.294 2.123 2.393 . 0 0 "[ . 1 . 2]" 1
1471 1 72 LEU H 1 72 LEU HB3 . . 3.590 3.506 3.431 3.529 . 0 0 "[ . 1 . 2]" 1
1472 1 72 LEU H 1 72 LEU MD1 . . 4.720 3.369 3.089 4.021 . 0 0 "[ . 1 . 2]" 1
1473 1 72 LEU H 1 72 LEU QD . . 4.190 2.983 1.980 3.243 . 0 0 "[ . 1 . 2]" 1
1474 1 72 LEU H 1 72 LEU MD2 . . 4.720 3.602 1.985 3.961 . 0 0 "[ . 1 . 2]" 1
1475 1 72 LEU H 1 72 LEU HG . . 3.730 2.614 2.271 3.810 0.080 8 0 "[ . 1 . 2]" 1
1476 1 72 LEU H 1 73 ASP H . . 3.230 2.721 2.616 2.909 . 0 0 "[ . 1 . 2]" 1
1477 1 72 LEU H 1 74 ALA H . . 4.850 3.813 3.585 4.053 . 0 0 "[ . 1 . 2]" 1
1478 1 72 LEU HA 1 72 LEU MD1 . . 4.650 3.705 2.248 3.897 . 0 0 "[ . 1 . 2]" 1
1479 1 72 LEU HA 1 72 LEU QD . . 3.920 2.200 1.997 2.486 . 0 0 "[ . 1 . 2]" 1
1480 1 72 LEU HA 1 72 LEU MD2 . . 4.650 2.238 2.019 2.518 . 0 0 "[ . 1 . 2]" 1
1481 1 72 LEU HA 1 72 LEU HG . . 3.880 2.827 2.557 3.654 . 0 0 "[ . 1 . 2]" 1
1482 1 72 LEU HA 1 74 ALA H . . 5.320 4.107 3.603 4.496 . 0 0 "[ . 1 . 2]" 1
1483 1 72 LEU HA 1 75 ALA H . . 3.980 3.634 3.229 3.951 . 0 0 "[ . 1 . 2]" 1
1484 1 72 LEU HB2 1 73 ASP H . . 4.020 2.641 2.513 2.767 . 0 0 "[ . 1 . 2]" 1
1485 1 72 LEU HB2 1 74 ALA H . . 4.920 4.796 4.607 4.998 0.078 3 0 "[ . 1 . 2]" 1
1486 1 72 LEU HB3 1 73 ASP H . . 3.520 3.463 3.076 3.550 0.030 20 0 "[ . 1 . 2]" 1
1487 1 72 LEU QD 1 73 ASP H . . 5.440 4.042 3.907 4.191 . 0 0 "[ . 1 . 2]" 1
1488 1 72 LEU MD1 1 73 ASP H . . 6.090 4.395 4.163 4.641 . 0 0 "[ . 1 . 2]" 1
1489 1 72 LEU MD2 1 73 ASP H . . 6.090 4.761 4.219 4.911 . 0 0 "[ . 1 . 2]" 1
1490 1 72 LEU HG 1 73 ASP H . . 4.960 4.620 4.441 4.993 0.033 8 0 "[ . 1 . 2]" 1
1491 1 73 ASP H 1 73 ASP HB2 . . 3.590 2.103 2.009 2.467 . 0 0 "[ . 1 . 2]" 1
1492 1 73 ASP H 1 73 ASP QB . . 3.430 2.071 1.991 2.424 . 0 0 "[ . 1 . 2]" 1
1493 1 73 ASP H 1 73 ASP HB3 . . 3.590 3.195 2.667 3.546 . 0 0 "[ . 1 . 2]" 1
1494 1 73 ASP H 1 74 ALA H . . 3.260 2.594 2.434 2.790 . 0 0 "[ . 1 . 2]" 1
1495 1 73 ASP H 1 75 ALA H . . 4.200 4.103 3.965 4.219 0.019 6 0 "[ . 1 . 2]" 1
1496 1 73 ASP HA 1 73 ASP HB2 . . 3.050 2.870 2.603 3.055 0.005 4 0 "[ . 1 . 2]" 1
1497 1 73 ASP HA 1 73 ASP HB3 . . 3.050 2.867 2.526 3.046 . 0 0 "[ . 1 . 2]" 1
1498 1 73 ASP HA 1 74 ALA H . . 3.620 3.536 3.383 3.615 . 0 0 "[ . 1 . 2]" 1
1499 1 73 ASP HA 1 75 ALA H . . 3.770 3.683 3.523 3.833 0.063 10 0 "[ . 1 . 2]" 1
1500 1 73 ASP QB 1 74 ALA H . . 3.580 2.863 2.593 3.309 . 0 0 "[ . 1 . 2]" 1
1501 1 73 ASP HB2 1 74 ALA H . . 3.840 3.323 2.700 3.730 . 0 0 "[ . 1 . 2]" 1
1502 1 73 ASP HB3 1 74 ALA H . . 3.840 3.269 2.667 3.809 . 0 0 "[ . 1 . 2]" 1
1503 1 74 ALA H 1 74 ALA MB . . 3.430 2.060 1.939 2.235 . 0 0 "[ . 1 . 2]" 1
1504 1 74 ALA H 1 75 ALA H . . 3.120 2.632 2.150 2.916 . 0 0 "[ . 1 . 2]" 1
1505 1 74 ALA H 1 75 ALA MB . . 7.030 4.258 3.671 4.627 . 0 0 "[ . 1 . 2]" 1
1506 1 74 ALA HA 1 75 ALA H . . 3.520 3.522 3.467 3.579 0.059 17 0 "[ . 1 . 2]" 1
1507 1 74 ALA HA 1 75 ALA MB . . 5.770 4.600 3.931 4.883 . 0 0 "[ . 1 . 2]" 1
1508 1 74 ALA MB 1 75 ALA H . . 3.680 2.968 2.743 3.125 . 0 0 "[ . 1 . 2]" 1
1509 1 75 ALA H 1 75 ALA MB . . 3.430 2.333 1.935 2.823 . 0 0 "[ . 1 . 2]" 1
1510 1 75 ALA H 1 76 PRO QD . . 6.880 3.244 2.147 4.317 . 0 0 "[ . 1 . 2]" 1
1511 1 75 ALA MB 1 76 PRO HD2 . . 4.830 2.831 1.841 4.028 . 0 0 "[ . 1 . 2]" 1
1512 1 75 ALA MB 1 76 PRO HD3 . . 4.830 2.811 1.874 3.921 . 0 0 "[ . 1 . 2]" 1
1513 1 76 PRO HA 1 77 HIS H . . 2.760 2.545 2.463 2.708 . 0 0 "[ . 1 . 2]" 1
1514 1 76 PRO HB2 1 77 HIS H . . 3.880 2.456 2.095 2.641 . 0 0 "[ . 1 . 2]" 1
1515 1 76 PRO HB3 1 77 HIS H . . 3.880 3.284 3.144 3.363 . 0 0 "[ . 1 . 2]" 1
1516 1 76 PRO QD 1 77 HIS H . . 5.550 4.901 4.763 4.961 . 0 0 "[ . 1 . 2]" 1
1517 1 76 PRO QG 1 77 HIS H . . 4.840 4.205 3.920 4.344 . 0 0 "[ . 1 . 2]" 1
1518 1 76 PRO HG2 1 77 HIS H . . 5.320 4.502 4.160 4.669 . 0 0 "[ . 1 . 2]" 1
1519 1 76 PRO HG3 1 77 HIS H . . 5.320 5.045 4.789 5.171 . 0 0 "[ . 1 . 2]" 1
1520 1 77 HIS H 1 77 HIS HB2 . . 3.770 2.950 2.055 3.791 0.021 4 0 "[ . 1 . 2]" 1
1521 1 77 HIS H 1 77 HIS QB . . 3.520 2.753 2.037 3.297 . 0 0 "[ . 1 . 2]" 1
1522 1 77 HIS H 1 77 HIS HB3 . . 3.770 3.490 3.150 3.840 0.070 9 0 "[ . 1 . 2]" 1
1523 1 77 HIS H 1 77 HIS HD2 . . 4.990 4.355 2.745 4.987 . 0 0 "[ . 1 . 2]" 1
1524 1 77 HIS H 1 78 ALA H . . 4.780 3.235 2.113 4.430 . 0 0 "[ . 1 . 2]" 1
1525 1 77 HIS H 1 78 ALA MB . . 5.550 4.303 3.645 4.548 . 0 0 "[ . 1 . 2]" 1
1526 1 77 HIS HA 1 77 HIS HB2 . . 2.980 2.819 2.575 3.008 0.028 20 0 "[ . 1 . 2]" 1
1527 1 77 HIS HA 1 77 HIS HB3 . . 2.980 2.703 2.252 3.012 0.032 9 0 "[ . 1 . 2]" 1
1528 1 77 HIS HB2 1 78 ALA H . . 4.310 3.472 2.153 4.348 0.038 18 0 "[ . 1 . 2]" 1
1529 1 77 HIS HB3 1 78 ALA H . . 4.310 3.202 2.216 4.319 0.009 11 0 "[ . 1 . 2]" 1
1530 1 78 ALA H 1 78 ALA MB . . 3.430 2.564 2.018 2.882 . 0 0 "[ . 1 . 2]" 1
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