NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445289 |
2kjk   |
16325 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kjk
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 983
_Distance_constraint_stats_list.Viol_count 924
_Distance_constraint_stats_list.Viol_total 1379.004
_Distance_constraint_stats_list.Viol_max 0.500
_Distance_constraint_stats_list.Viol_rms 0.0571
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0140
_Distance_constraint_stats_list.Viol_average_violations_only 0.1492
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 1.335 0.370 3 0 "[ . 1]"
1 4 VAL 1.335 0.370 3 0 "[ . 1]"
1 5 THR 0.792 0.335 10 0 "[ . 1]"
1 6 TYR 0.725 0.335 10 0 "[ . 1]"
1 7 ASP 0.379 0.261 4 0 "[ . 1]"
1 8 GLY 3.098 0.444 6 0 "[ . 1]"
1 9 VAL 2.417 0.258 4 0 "[ . 1]"
1 10 TYR 1.708 0.325 4 0 "[ . 1]"
1 11 VAL 2.059 0.313 2 0 "[ . 1]"
1 12 LEU 2.711 0.443 6 0 "[ . 1]"
1 13 SER 0.883 0.409 9 0 "[ . 1]"
1 14 VAL 2.752 0.309 3 0 "[ . 1]"
1 15 LYS 2.307 0.452 8 0 "[ . 1]"
1 16 GLU 2.016 0.293 2 0 "[ . 1]"
1 17 ASP 0.878 0.439 6 0 "[ . 1]"
1 18 VAL 1.609 0.398 2 0 "[ . 1]"
1 19 PRO 6.192 0.365 6 0 "[ . 1]"
1 20 ALA 1.293 0.148 5 0 "[ . 1]"
1 21 ALA 4.232 0.439 6 0 "[ . 1]"
1 22 GLY 3.173 0.325 10 0 "[ . 1]"
1 23 ILE 1.924 0.303 1 0 "[ . 1]"
1 24 LEU 4.231 0.409 4 0 "[ . 1]"
1 25 HIS 0.241 0.121 10 0 "[ . 1]"
1 26 ALA 0.253 0.121 10 0 "[ . 1]"
1 27 GLY 0.000 0.000 . 0 "[ . 1]"
1 28 ASP 2.671 0.352 6 0 "[ . 1]"
1 29 LEU 5.931 0.500 8 1 "[ . + 1]"
1 30 ILE 8.212 0.464 6 0 "[ . 1]"
1 31 THR 1.865 0.361 7 0 "[ . 1]"
1 32 GLU 4.808 0.444 1 0 "[ . 1]"
1 33 ILE 5.735 0.484 1 0 "[ . 1]"
1 34 ASP 1.381 0.266 8 0 "[ . 1]"
1 35 GLY 0.065 0.065 3 0 "[ . 1]"
1 36 GLN 2.317 0.388 7 0 "[ . 1]"
1 37 SER 1.103 0.428 10 0 "[ . 1]"
1 38 PHE 4.044 0.428 10 0 "[ . 1]"
1 39 LYS 1.364 0.396 8 0 "[ . 1]"
1 40 SER 1.534 0.401 6 0 "[ . 1]"
1 41 SER 0.057 0.057 6 0 "[ . 1]"
1 42 GLN 1.470 0.401 6 0 "[ . 1]"
1 43 GLU 0.000 0.000 . 0 "[ . 1]"
1 44 PHE 7.847 0.484 1 0 "[ . 1]"
1 45 ILE 4.199 0.395 8 0 "[ . 1]"
1 46 ASP 0.486 0.140 2 0 "[ . 1]"
1 47 TYR 5.323 0.467 5 0 "[ . 1]"
1 48 ILE 10.029 0.467 5 0 "[ . 1]"
1 49 HIS 0.000 0.000 . 0 "[ . 1]"
1 50 SER 1.384 0.491 7 0 "[ . 1]"
1 51 LYS 5.712 0.491 7 0 "[ . 1]"
1 52 LYS 1.956 0.404 8 0 "[ . 1]"
1 53 VAL 2.735 0.337 5 0 "[ . 1]"
1 54 GLY 2.248 0.307 10 0 "[ . 1]"
1 55 ASP 2.681 0.353 8 0 "[ . 1]"
1 56 THR 3.150 0.437 8 0 "[ . 1]"
1 57 VAL 6.000 0.437 8 0 "[ . 1]"
1 58 LYS 2.684 0.319 6 0 "[ . 1]"
1 59 ILE 15.611 0.493 1 0 "[ . 1]"
1 60 LYS 7.014 0.444 1 0 "[ . 1]"
1 61 TYR 6.958 0.500 8 1 "[ . + 1]"
1 62 LYS 0.710 0.400 8 0 "[ . 1]"
1 63 HIS 0.580 0.213 8 0 "[ . 1]"
1 64 GLY 0.000 0.000 . 0 "[ . 1]"
1 65 ASN 0.304 0.173 7 0 "[ . 1]"
1 66 LYS 0.304 0.173 7 0 "[ . 1]"
1 67 ASN 2.599 0.306 8 0 "[ . 1]"
1 68 GLU 3.237 0.306 8 0 "[ . 1]"
1 69 GLU 2.099 0.491 10 0 "[ . 1]"
1 70 ALA 2.966 0.300 7 0 "[ . 1]"
1 71 SER 1.682 0.244 10 0 "[ . 1]"
1 72 ILE 8.093 0.493 1 0 "[ . 1]"
1 73 LYS 5.536 0.486 5 0 "[ . 1]"
1 74 LEU 2.290 0.266 5 0 "[ . 1]"
1 75 THR 3.608 0.365 6 0 "[ . 1]"
1 76 ALA 4.285 0.349 1 0 "[ . 1]"
1 77 ILE 6.145 0.468 6 0 "[ . 1]"
1 78 ASP 3.523 0.433 6 0 "[ . 1]"
1 79 LYS 0.000 0.000 . 0 "[ . 1]"
1 80 LYS 0.806 0.266 1 0 "[ . 1]"
1 81 GLY 0.323 0.089 6 0 "[ . 1]"
1 82 THR 2.404 0.200 9 0 "[ . 1]"
1 83 PRO 8.267 0.468 6 0 "[ . 1]"
1 84 GLY 2.092 0.426 1 0 "[ . 1]"
1 85 ILE 1.933 0.344 10 0 "[ . 1]"
1 86 GLY 2.160 0.344 10 0 "[ . 1]"
1 87 ILE 5.854 0.423 10 0 "[ . 1]"
1 88 THR 8.887 0.452 8 0 "[ . 1]"
1 89 LEU 1.731 0.373 9 0 "[ . 1]"
1 90 VAL 2.506 0.404 10 0 "[ . 1]"
1 91 ASP 0.967 0.404 10 0 "[ . 1]"
1 92 ASP 1.120 0.217 4 0 "[ . 1]"
1 93 LEU 0.453 0.243 5 0 "[ . 1]"
1 94 GLU 0.978 0.292 7 0 "[ . 1]"
1 95 HIS 0.091 0.091 7 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS HA 1 4 VAL H 3.150 . 3.150 2.853 2.176 3.520 0.370 3 0 "[ . 1]" 1
2 1 4 VAL QG 1 5 THR H 4.180 . 4.180 2.846 2.084 3.498 . 0 0 "[ . 1]" 1
3 1 5 THR H 1 5 THR HB 4.020 . 4.020 3.073 2.613 3.674 . 0 0 "[ . 1]" 1
4 1 5 THR H 1 5 THR MG 3.960 . 3.960 2.923 1.800 3.998 0.038 8 0 "[ . 1]" 1
5 1 5 THR HA 1 5 THR MG 3.010 . 3.010 2.442 2.315 3.213 0.203 6 0 "[ . 1]" 1
6 1 5 THR HB 1 6 TYR H 3.280 . 3.280 2.746 2.262 3.615 0.335 10 0 "[ . 1]" 1
7 1 5 THR MG 1 6 TYR H 4.330 . 4.330 3.415 2.057 4.013 . 0 0 "[ . 1]" 1
8 1 6 TYR H 1 6 TYR HB2 3.870 . 3.870 2.984 2.433 3.610 . 0 0 "[ . 1]" 1
9 1 6 TYR H 1 6 TYR QB 3.310 . 3.310 2.634 2.269 3.312 0.002 2 0 "[ . 1]" 1
10 1 6 TYR H 1 6 TYR HB3 3.870 . 3.870 3.306 2.554 3.997 0.127 2 0 "[ . 1]" 1
11 1 6 TYR H 1 6 TYR QD 4.790 . 4.790 3.000 2.025 4.531 . 0 0 "[ . 1]" 1
12 1 6 TYR QB 1 7 ASP H 4.010 . 4.010 3.093 1.772 4.014 0.028 9 0 "[ . 1]" 1
13 1 6 TYR HB2 1 6 TYR QD 3.250 . 3.250 2.443 2.406 2.545 . 0 0 "[ . 1]" 1
14 1 6 TYR HB2 1 7 ASP H 4.790 . 4.790 3.552 1.813 4.656 . 0 0 "[ . 1]" 1
15 1 6 TYR HB3 1 6 TYR QD 3.250 . 3.250 2.442 2.395 2.478 . 0 0 "[ . 1]" 1
16 1 6 TYR HB3 1 7 ASP H 4.790 . 4.790 3.657 2.492 4.417 . 0 0 "[ . 1]" 1
17 1 7 ASP H 1 7 ASP QB 3.390 . 3.390 2.889 2.410 3.427 0.037 9 0 "[ . 1]" 1
18 1 7 ASP H 1 8 GLY H 3.960 . 3.960 3.372 1.765 4.221 0.261 4 0 "[ . 1]" 1
19 1 7 ASP HA 1 8 GLY QA 4.820 . 4.820 4.121 3.895 4.491 . 0 0 "[ . 1]" 1
20 1 8 GLY H 1 29 LEU QD 4.690 . 4.690 3.776 2.461 4.640 . 0 0 "[ . 1]" 1
21 1 8 GLY QA 1 9 VAL QG 5.000 . 5.000 3.130 2.967 3.529 . 0 0 "[ . 1]" 1
22 1 8 GLY QA 1 29 LEU HA 5.280 . 5.280 4.119 3.640 4.812 . 0 0 "[ . 1]" 1
23 1 8 GLY QA 1 29 LEU HB2 5.240 . 5.240 4.289 3.572 5.443 0.203 8 0 "[ . 1]" 1
24 1 8 GLY QA 1 29 LEU QD 3.480 . 3.480 3.110 2.176 3.429 . 0 0 "[ . 1]" 1
25 1 8 GLY QA 1 29 LEU HG 4.760 . 4.760 4.870 3.261 5.204 0.444 6 0 "[ . 1]" 1
26 1 8 GLY HA2 1 9 VAL H 3.540 . 3.540 2.799 2.626 2.992 . 0 0 "[ . 1]" 1
27 1 8 GLY HA3 1 9 VAL H 3.540 . 3.540 2.360 2.246 2.514 . 0 0 "[ . 1]" 1
28 1 9 VAL H 1 9 VAL HB 4.050 . 4.050 3.313 2.644 3.789 . 0 0 "[ . 1]" 1
29 1 9 VAL H 1 29 LEU QD 4.030 . 4.030 3.651 1.898 4.159 0.129 2 0 "[ . 1]" 1
30 1 9 VAL H 1 30 ILE H 4.250 . 4.250 2.637 2.211 2.875 . 0 0 "[ . 1]" 1
31 1 9 VAL H 1 30 ILE HB 4.650 . 4.650 3.559 3.315 3.966 . 0 0 "[ . 1]" 1
32 1 9 VAL H 1 30 ILE MG 4.970 . 4.970 4.924 4.592 5.093 0.123 1 0 "[ . 1]" 1
33 1 9 VAL H 1 31 THR H 6.000 . 6.000 5.927 5.292 6.258 0.258 4 0 "[ . 1]" 1
34 1 9 VAL HA 1 10 TYR H 3.370 . 3.370 2.157 2.131 2.186 . 0 0 "[ . 1]" 1
35 1 9 VAL HB 1 10 TYR H 4.160 . 4.160 3.766 3.256 4.279 0.119 2 0 "[ . 1]" 1
36 1 9 VAL HB 1 30 ILE HB 5.070 . 5.070 4.425 2.760 5.206 0.136 9 0 "[ . 1]" 1
37 1 9 VAL QG 1 10 TYR QB 5.490 . 5.490 4.450 3.899 5.058 . 0 0 "[ . 1]" 1
38 1 10 TYR H 1 10 TYR QB 3.370 . 3.370 2.398 2.138 2.799 . 0 0 "[ . 1]" 1
39 1 10 TYR H 1 10 TYR QD 3.670 . 3.670 2.571 2.137 3.476 . 0 0 "[ . 1]" 1
40 1 10 TYR H 1 29 LEU QD 4.600 . 4.600 4.152 3.555 4.838 0.238 10 0 "[ . 1]" 1
41 1 10 TYR H 1 90 VAL QG 4.520 . 4.520 3.731 2.571 4.475 . 0 0 "[ . 1]" 1
42 1 10 TYR QB 1 10 TYR QD 2.950 . 2.950 2.212 2.169 2.242 . 0 0 "[ . 1]" 1
43 1 10 TYR QB 1 90 VAL QG 3.340 . 3.340 2.574 2.033 3.643 0.303 9 0 "[ . 1]" 1
44 1 10 TYR QD 1 29 LEU HB3 5.070 . 5.070 4.521 3.910 5.120 0.050 4 0 "[ . 1]" 1
45 1 10 TYR QD 1 29 LEU QD 4.260 . 4.260 2.598 2.215 3.028 . 0 0 "[ . 1]" 1
46 1 10 TYR QD 1 90 VAL QG 4.950 . 4.950 3.677 2.082 5.105 0.155 9 0 "[ . 1]" 1
47 1 10 TYR QE 1 29 LEU HB3 4.620 . 4.620 4.454 4.151 4.945 0.325 4 0 "[ . 1]" 1
48 1 10 TYR QE 1 29 LEU QD 3.760 . 3.760 2.320 2.071 2.516 . 0 0 "[ . 1]" 1
49 1 10 TYR QE 1 29 LEU HG 5.150 . 5.150 4.229 2.333 4.925 . 0 0 "[ . 1]" 1
50 1 11 VAL H 1 11 VAL HB 3.650 . 3.650 2.556 2.503 2.631 . 0 0 "[ . 1]" 1
51 1 11 VAL H 1 11 VAL MG1 4.020 . 4.020 3.833 3.802 3.870 . 0 0 "[ . 1]" 1
52 1 11 VAL H 1 11 VAL QG 3.320 . 3.320 2.321 2.169 2.517 . 0 0 "[ . 1]" 1
53 1 11 VAL H 1 11 VAL MG2 4.020 . 4.020 2.342 2.181 2.550 . 0 0 "[ . 1]" 1
54 1 11 VAL H 1 12 LEU H 4.720 . 4.720 4.527 4.439 4.629 . 0 0 "[ . 1]" 1
55 1 11 VAL H 1 28 ASP H 4.580 . 4.580 3.804 3.513 4.012 . 0 0 "[ . 1]" 1
56 1 11 VAL H 1 28 ASP QB 4.850 . 4.850 4.647 4.376 4.878 0.028 3 0 "[ . 1]" 1
57 1 11 VAL HA 1 11 VAL MG1 3.470 . 3.470 2.349 2.308 2.379 . 0 0 "[ . 1]" 1
58 1 11 VAL HA 1 11 VAL QG 3.030 . 3.030 2.108 2.100 2.117 . 0 0 "[ . 1]" 1
59 1 11 VAL HA 1 11 VAL MG2 3.470 . 3.470 2.385 2.364 2.425 . 0 0 "[ . 1]" 1
60 1 11 VAL HA 1 12 LEU H 3.510 . 3.510 2.200 2.142 2.254 . 0 0 "[ . 1]" 1
61 1 11 VAL HA 1 12 LEU QB 5.480 . 5.480 4.046 3.981 4.121 . 0 0 "[ . 1]" 1
62 1 11 VAL HA 1 13 SER H 4.720 . 4.720 4.213 3.955 4.354 . 0 0 "[ . 1]" 1
63 1 11 VAL HA 1 87 ILE MD 5.510 . 5.510 5.004 3.987 5.823 0.313 2 0 "[ . 1]" 1
64 1 11 VAL HA 1 88 THR MG 6.000 . 6.000 5.048 3.421 5.660 . 0 0 "[ . 1]" 1
65 1 11 VAL HA 1 89 LEU HA 3.770 . 3.770 2.720 2.384 3.242 . 0 0 "[ . 1]" 1
66 1 11 VAL HA 1 89 LEU QB 5.500 . 5.500 4.388 3.896 4.763 . 0 0 "[ . 1]" 1
67 1 11 VAL HA 1 89 LEU QD 3.430 . 3.430 2.666 2.300 3.545 0.115 3 0 "[ . 1]" 1
68 1 11 VAL HA 1 90 VAL H 4.710 . 4.710 3.939 3.468 4.727 0.017 2 0 "[ . 1]" 1
69 1 11 VAL HB 1 14 VAL QG 4.790 . 4.790 4.292 3.530 4.934 0.144 3 0 "[ . 1]" 1
70 1 11 VAL HB 1 26 ALA HA 4.240 . 4.240 2.509 2.412 2.766 . 0 0 "[ . 1]" 1
71 1 11 VAL HB 1 27 GLY H 4.250 . 4.250 2.414 2.037 2.658 . 0 0 "[ . 1]" 1
72 1 11 VAL HB 1 28 ASP H 3.620 . 3.620 3.093 2.704 3.286 . 0 0 "[ . 1]" 1
73 1 11 VAL HB 1 28 ASP HA 5.760 . 5.760 5.631 5.205 5.887 0.127 9 0 "[ . 1]" 1
74 1 11 VAL HB 1 28 ASP QB 4.260 . 4.260 3.844 3.549 4.347 0.087 8 0 "[ . 1]" 1
75 1 11 VAL QG 1 12 LEU H 3.680 . 3.680 2.592 2.458 2.738 . 0 0 "[ . 1]" 1
76 1 11 VAL QG 1 12 LEU HA 5.060 . 5.060 4.049 3.965 4.135 . 0 0 "[ . 1]" 1
77 1 11 VAL QG 1 13 SER H 4.010 . 4.010 2.542 2.237 2.700 . 0 0 "[ . 1]" 1
78 1 11 VAL QG 1 14 VAL HA 5.490 . 5.490 4.000 3.705 4.262 . 0 0 "[ . 1]" 1
79 1 11 VAL QG 1 25 HIS H 5.100 . 5.100 4.334 3.614 4.847 . 0 0 "[ . 1]" 1
80 1 11 VAL QG 1 26 ALA H 4.370 . 4.370 4.295 4.195 4.432 0.062 10 0 "[ . 1]" 1
81 1 11 VAL QG 1 26 ALA HA 3.490 . 3.490 2.761 2.445 3.106 . 0 0 "[ . 1]" 1
82 1 11 VAL QG 1 26 ALA MB 4.560 . 4.560 3.444 3.190 3.851 . 0 0 "[ . 1]" 1
83 1 11 VAL QG 1 27 GLY H 3.970 . 3.970 3.333 2.972 3.535 . 0 0 "[ . 1]" 1
84 1 11 VAL QG 1 27 GLY QA 5.320 . 5.320 4.359 4.080 4.518 . 0 0 "[ . 1]" 1
85 1 11 VAL QG 1 28 ASP H 3.820 . 3.820 3.342 3.241 3.467 . 0 0 "[ . 1]" 1
86 1 11 VAL QG 1 28 ASP QB 3.290 . 3.290 2.867 2.586 3.582 0.292 8 0 "[ . 1]" 1
87 1 11 VAL QG 1 87 ILE HB 3.710 . 3.710 2.558 2.243 3.100 . 0 0 "[ . 1]" 1
88 1 11 VAL QG 1 88 THR H 4.070 . 4.070 2.909 2.300 3.418 . 0 0 "[ . 1]" 1
89 1 11 VAL MG1 1 26 ALA HA 4.920 . 4.920 2.826 2.469 3.217 . 0 0 "[ . 1]" 1
90 1 11 VAL MG1 1 27 GLY H 4.750 . 4.750 3.718 3.118 4.125 . 0 0 "[ . 1]" 1
91 1 11 VAL MG1 1 28 ASP H 4.480 . 4.480 4.417 4.126 4.584 0.104 7 0 "[ . 1]" 1
92 1 11 VAL MG2 1 26 ALA HA 4.920 . 4.920 3.959 3.749 4.134 . 0 0 "[ . 1]" 1
93 1 11 VAL MG2 1 27 GLY H 4.750 . 4.750 3.824 3.693 3.902 . 0 0 "[ . 1]" 1
94 1 11 VAL MG2 1 28 ASP H 4.480 . 4.480 3.468 3.316 3.676 . 0 0 "[ . 1]" 1
95 1 12 LEU H 1 12 LEU HB2 4.120 . 4.120 2.445 2.296 2.830 . 0 0 "[ . 1]" 1
96 1 12 LEU H 1 12 LEU QB 3.610 . 3.610 2.243 2.204 2.285 . 0 0 "[ . 1]" 1
97 1 12 LEU H 1 12 LEU HB3 4.120 . 4.120 2.712 2.412 2.896 . 0 0 "[ . 1]" 1
98 1 12 LEU H 1 12 LEU MD1 4.620 . 4.620 4.230 4.111 4.291 . 0 0 "[ . 1]" 1
99 1 12 LEU H 1 12 LEU QD 3.910 . 3.910 3.705 3.493 3.826 . 0 0 "[ . 1]" 1
100 1 12 LEU H 1 12 LEU MD2 4.620 . 4.620 4.126 3.717 4.353 . 0 0 "[ . 1]" 1
101 1 12 LEU H 1 13 SER H 3.460 . 3.460 2.490 2.442 2.567 . 0 0 "[ . 1]" 1
102 1 12 LEU H 1 88 THR H 5.060 . 5.060 3.739 3.398 4.141 . 0 0 "[ . 1]" 1
103 1 12 LEU H 1 88 THR HB 5.030 . 5.030 3.866 3.060 4.852 . 0 0 "[ . 1]" 1
104 1 12 LEU H 1 88 THR MG 5.050 . 5.050 3.670 1.901 4.167 . 0 0 "[ . 1]" 1
105 1 12 LEU H 1 89 LEU HA 4.090 . 4.090 3.252 2.614 4.072 . 0 0 "[ . 1]" 1
106 1 12 LEU H 1 90 VAL H 4.630 . 4.630 4.308 3.669 4.771 0.141 5 0 "[ . 1]" 1
107 1 12 LEU H 1 90 VAL QG 5.120 . 5.120 3.445 2.937 3.886 . 0 0 "[ . 1]" 1
108 1 12 LEU HA 1 12 LEU QD 2.990 . 2.990 2.213 2.019 2.426 . 0 0 "[ . 1]" 1
109 1 12 LEU HA 1 88 THR MG 4.820 . 4.820 4.934 3.880 5.263 0.443 6 0 "[ . 1]" 1
110 1 12 LEU QB 1 13 SER H 3.460 . 3.460 2.423 2.315 2.574 . 0 0 "[ . 1]" 1
111 1 12 LEU QB 1 88 THR HB 3.880 . 3.880 2.654 2.344 4.246 0.366 9 0 "[ . 1]" 1
112 1 12 LEU QB 1 89 LEU HA 5.060 . 5.060 3.997 3.573 5.039 . 0 0 "[ . 1]" 1
113 1 12 LEU HB2 1 13 SER H 4.080 . 4.080 3.598 3.454 3.829 . 0 0 "[ . 1]" 1
114 1 12 LEU HB3 1 13 SER H 4.080 . 4.080 2.465 2.340 2.645 . 0 0 "[ . 1]" 1
115 1 12 LEU QD 1 13 SER H 4.470 . 4.470 3.615 3.333 3.946 . 0 0 "[ . 1]" 1
116 1 12 LEU QD 1 88 THR MG 3.840 . 3.840 2.766 2.109 3.891 0.051 6 0 "[ . 1]" 1
117 1 13 SER H 1 14 VAL QG 4.790 . 4.790 4.264 3.767 4.708 . 0 0 "[ . 1]" 1
118 1 13 SER H 1 88 THR H 4.010 . 4.010 3.183 2.809 3.962 . 0 0 "[ . 1]" 1
119 1 13 SER H 1 88 THR HB 3.970 . 3.970 3.307 2.770 4.379 0.409 9 0 "[ . 1]" 1
120 1 13 SER H 1 88 THR MG 4.490 . 4.490 4.111 1.909 4.567 0.077 6 0 "[ . 1]" 1
121 1 13 SER HA 1 14 VAL H 3.530 . 3.530 2.270 2.207 2.324 . 0 0 "[ . 1]" 1
122 1 13 SER HA 1 14 VAL QG 4.100 . 4.100 3.235 3.176 3.347 . 0 0 "[ . 1]" 1
123 1 13 SER QB 1 14 VAL H 3.260 . 3.260 2.789 2.420 3.448 0.188 9 0 "[ . 1]" 1
124 1 14 VAL H 1 14 VAL HB 3.740 . 3.740 2.798 2.563 3.384 . 0 0 "[ . 1]" 1
125 1 14 VAL H 1 14 VAL MG1 4.060 . 4.060 3.536 2.135 3.938 . 0 0 "[ . 1]" 1
126 1 14 VAL H 1 14 VAL QG 3.360 . 3.360 2.473 2.125 2.795 . 0 0 "[ . 1]" 1
127 1 14 VAL H 1 14 VAL MG2 4.060 . 4.060 2.851 2.408 3.879 . 0 0 "[ . 1]" 1
128 1 14 VAL H 1 15 LYS H 4.900 . 4.900 4.317 4.111 4.465 . 0 0 "[ . 1]" 1
129 1 14 VAL HA 1 15 LYS H 3.270 . 3.270 2.167 2.125 2.260 . 0 0 "[ . 1]" 1
130 1 14 VAL HA 1 87 ILE HA 3.590 . 3.590 3.149 2.530 3.545 . 0 0 "[ . 1]" 1
131 1 14 VAL HA 1 87 ILE MG 4.110 . 4.110 2.680 2.330 3.506 . 0 0 "[ . 1]" 1
132 1 14 VAL HA 1 88 THR H 4.590 . 4.590 4.544 4.053 4.800 0.210 10 0 "[ . 1]" 1
133 1 14 VAL HB 1 15 LYS H 4.460 . 4.460 4.159 3.996 4.420 . 0 0 "[ . 1]" 1
134 1 14 VAL QG 1 15 LYS H 3.380 . 3.380 2.659 2.422 3.056 . 0 0 "[ . 1]" 1
135 1 14 VAL QG 1 20 ALA MB 3.280 . 3.280 2.499 2.059 3.178 . 0 0 "[ . 1]" 1
136 1 14 VAL QG 1 21 ALA HA 3.240 . 3.240 2.848 2.265 3.200 . 0 0 "[ . 1]" 1
137 1 14 VAL QG 1 22 GLY H 4.130 . 4.130 4.056 3.695 4.329 0.199 3 0 "[ . 1]" 1
138 1 14 VAL QG 1 22 GLY QA 5.730 . 5.730 5.323 4.996 5.543 . 0 0 "[ . 1]" 1
139 1 14 VAL QG 1 24 LEU H 4.500 . 4.500 4.067 3.730 4.447 . 0 0 "[ . 1]" 1
140 1 14 VAL QG 1 24 LEU QB 4.080 . 4.080 3.075 2.596 3.538 . 0 0 "[ . 1]" 1
141 1 14 VAL QG 1 25 HIS H 5.310 . 5.310 4.142 3.575 4.711 . 0 0 "[ . 1]" 1
142 1 14 VAL QG 1 25 HIS HA 3.570 . 3.570 2.684 2.317 3.628 0.058 2 0 "[ . 1]" 1
143 1 14 VAL QG 1 26 ALA H 3.960 . 3.960 2.956 2.301 3.869 . 0 0 "[ . 1]" 1
144 1 14 VAL QG 1 26 ALA HA 4.570 . 4.570 3.377 2.356 4.199 . 0 0 "[ . 1]" 1
145 1 14 VAL QG 1 26 ALA MB 5.100 . 5.100 3.033 2.422 3.900 . 0 0 "[ . 1]" 1
146 1 14 VAL QG 1 87 ILE HA 4.110 . 4.110 3.859 3.669 4.042 . 0 0 "[ . 1]" 1
147 1 14 VAL MG1 1 15 LYS H 4.550 . 4.550 3.018 2.443 4.082 . 0 0 "[ . 1]" 1
148 1 14 VAL MG1 1 20 ALA MB 4.280 . 4.280 2.949 2.115 4.161 . 0 0 "[ . 1]" 1
149 1 14 VAL MG1 1 24 LEU H 5.180 . 5.180 4.577 3.858 5.355 0.175 3 0 "[ . 1]" 1
150 1 14 VAL MG1 1 87 ILE HA 4.730 . 4.730 4.567 4.280 5.039 0.309 3 0 "[ . 1]" 1
151 1 14 VAL MG2 1 15 LYS H 4.550 . 4.550 3.780 2.468 4.275 . 0 0 "[ . 1]" 1
152 1 14 VAL MG2 1 20 ALA MB 4.280 . 4.280 3.433 2.065 4.406 0.126 10 0 "[ . 1]" 1
153 1 14 VAL MG2 1 24 LEU H 5.180 . 5.180 4.746 4.111 5.232 0.052 1 0 "[ . 1]" 1
154 1 14 VAL MG2 1 87 ILE HA 4.730 . 4.730 4.199 3.904 4.497 . 0 0 "[ . 1]" 1
155 1 15 LYS H 1 15 LYS QB 3.680 . 3.680 2.413 2.243 2.572 . 0 0 "[ . 1]" 1
156 1 15 LYS H 1 15 LYS QD 5.040 . 5.040 3.567 1.916 4.176 . 0 0 "[ . 1]" 1
157 1 15 LYS H 1 18 VAL QG 3.570 . 3.570 3.111 2.746 3.469 . 0 0 "[ . 1]" 1
158 1 15 LYS H 1 87 ILE HA 4.550 . 4.550 3.866 3.401 4.268 . 0 0 "[ . 1]" 1
159 1 15 LYS H 1 87 ILE MG 4.580 . 4.580 3.634 3.042 4.193 . 0 0 "[ . 1]" 1
160 1 15 LYS H 1 88 THR H 5.730 . 5.730 5.819 5.445 6.182 0.452 8 0 "[ . 1]" 1
161 1 15 LYS HA 1 16 GLU H 3.270 . 3.270 2.741 2.179 3.460 0.190 5 0 "[ . 1]" 1
162 1 15 LYS HA 1 18 VAL QG 4.480 . 4.480 4.156 3.806 4.525 0.045 5 0 "[ . 1]" 1
163 1 16 GLU H 1 16 GLU QB 3.160 . 3.160 2.731 2.431 3.435 0.275 4 0 "[ . 1]" 1
164 1 16 GLU H 1 16 GLU QG 4.140 . 4.140 3.153 2.039 4.433 0.293 2 0 "[ . 1]" 1
165 1 16 GLU H 1 17 ASP H 4.300 . 4.300 3.149 1.876 4.575 0.275 9 0 "[ . 1]" 1
166 1 16 GLU H 1 18 VAL QG 4.570 . 4.570 3.453 2.161 4.465 . 0 0 "[ . 1]" 1
167 1 16 GLU H 1 21 ALA MB 4.850 . 4.850 4.297 3.627 4.916 0.066 1 0 "[ . 1]" 1
168 1 16 GLU HA 1 16 GLU QG 3.370 . 3.370 2.674 2.332 3.509 0.139 9 0 "[ . 1]" 1
169 1 16 GLU HA 1 17 ASP QB 5.520 . 5.520 4.832 4.469 5.313 . 0 0 "[ . 1]" 1
170 1 16 GLU HA 1 21 ALA MB 3.440 . 3.440 2.518 2.135 3.409 . 0 0 "[ . 1]" 1
171 1 16 GLU QG 1 17 ASP H 4.910 . 4.910 3.943 1.832 4.805 . 0 0 "[ . 1]" 1
172 1 17 ASP H 1 17 ASP QB 3.700 . 3.700 2.904 2.669 3.388 . 0 0 "[ . 1]" 1
173 1 17 ASP H 1 18 VAL H 3.770 . 3.770 2.479 1.857 3.350 . 0 0 "[ . 1]" 1
174 1 17 ASP H 1 18 VAL QG 4.610 . 4.610 2.666 2.164 3.554 . 0 0 "[ . 1]" 1
175 1 17 ASP H 1 21 ALA MB 3.940 . 3.940 3.249 2.537 4.379 0.439 6 0 "[ . 1]" 1
176 1 17 ASP QB 1 18 VAL QG 5.340 . 5.340 3.438 3.083 4.090 . 0 0 "[ . 1]" 1
177 1 18 VAL H 1 18 VAL QG 3.090 . 3.090 2.059 1.774 2.238 0.026 5 0 "[ . 1]" 1
178 1 18 VAL H 1 21 ALA H 4.350 . 4.350 3.628 3.258 4.723 0.373 2 0 "[ . 1]" 1
179 1 18 VAL H 1 21 ALA MB 3.350 . 3.350 2.617 2.121 3.748 0.398 2 0 "[ . 1]" 1
180 1 18 VAL HA 1 19 PRO HD2 3.780 . 3.780 2.578 2.368 2.949 . 0 0 "[ . 1]" 1
181 1 18 VAL HA 1 19 PRO QD 3.200 . 3.200 2.228 2.143 2.275 . 0 0 "[ . 1]" 1
182 1 18 VAL HA 1 19 PRO HD3 3.780 . 3.780 2.536 2.256 2.786 . 0 0 "[ . 1]" 1
183 1 18 VAL HA 1 19 PRO HG2 4.880 . 4.880 4.673 4.536 4.885 0.005 1 0 "[ . 1]" 1
184 1 18 VAL HA 1 19 PRO HG3 4.880 . 4.880 4.653 4.470 4.809 . 0 0 "[ . 1]" 1
185 1 18 VAL HB 1 19 PRO HD2 3.770 . 3.770 2.301 2.171 2.374 . 0 0 "[ . 1]" 1
186 1 18 VAL HB 1 19 PRO QD 3.210 . 3.210 2.276 2.157 2.349 . 0 0 "[ . 1]" 1
187 1 18 VAL HB 1 19 PRO HD3 3.770 . 3.770 3.644 3.250 3.858 0.088 10 0 "[ . 1]" 1
188 1 18 VAL HB 1 20 ALA H 4.800 . 4.800 2.817 2.528 3.105 . 0 0 "[ . 1]" 1
189 1 18 VAL HB 1 20 ALA MB 4.810 . 4.810 3.393 3.094 3.783 . 0 0 "[ . 1]" 1
190 1 18 VAL HB 1 86 GLY QA 3.850 . 3.850 3.536 2.558 4.009 0.159 7 0 "[ . 1]" 1
191 1 18 VAL QG 1 19 PRO QD 3.780 . 3.780 2.895 2.552 3.026 . 0 0 "[ . 1]" 1
192 1 18 VAL QG 1 20 ALA H 3.520 . 3.520 2.462 1.990 3.003 . 0 0 "[ . 1]" 1
193 1 18 VAL QG 1 21 ALA H 3.250 . 3.250 2.351 1.867 2.786 . 0 0 "[ . 1]" 1
194 1 18 VAL QG 1 21 ALA MB 3.110 . 3.110 2.593 2.306 3.160 0.050 4 0 "[ . 1]" 1
195 1 18 VAL QG 1 86 GLY QA 3.240 . 3.240 2.288 2.099 2.606 . 0 0 "[ . 1]" 1
196 1 19 PRO HA 1 21 ALA H 4.460 . 4.460 3.860 3.592 4.067 . 0 0 "[ . 1]" 1
197 1 19 PRO HA 1 23 ILE MD 3.960 . 3.960 4.058 3.618 4.263 0.303 1 0 "[ . 1]" 1
198 1 19 PRO HA 1 75 THR MG 4.900 . 4.900 5.130 4.882 5.265 0.365 6 0 "[ . 1]" 1
199 1 19 PRO QB 1 72 ILE MG 3.450 . 3.450 2.273 2.026 2.496 . 0 0 "[ . 1]" 1
200 1 19 PRO QB 1 75 THR MG 4.330 . 4.330 3.529 3.173 3.723 . 0 0 "[ . 1]" 1
201 1 19 PRO QB 1 85 ILE HA 5.680 . 5.680 5.175 4.144 5.791 0.111 2 0 "[ . 1]" 1
202 1 19 PRO QB 1 85 ILE MG 5.220 . 5.220 3.339 2.199 4.606 . 0 0 "[ . 1]" 1
203 1 19 PRO QD 1 20 ALA H 4.680 . 4.680 3.131 2.967 3.434 . 0 0 "[ . 1]" 1
204 1 19 PRO QD 1 75 THR MG 3.440 . 3.440 2.737 2.206 3.614 0.174 8 0 "[ . 1]" 1
205 1 19 PRO QD 1 85 ILE HA 4.760 . 4.760 4.160 3.493 4.967 0.207 6 0 "[ . 1]" 1
206 1 19 PRO HD2 1 75 THR MG 4.100 . 4.100 3.173 2.357 4.141 0.041 8 0 "[ . 1]" 1
207 1 19 PRO HD3 1 75 THR MG 4.100 . 4.100 3.044 2.399 3.983 . 0 0 "[ . 1]" 1
208 1 19 PRO QG 1 20 ALA H 4.780 . 4.780 3.375 2.689 4.015 . 0 0 "[ . 1]" 1
209 1 19 PRO QG 1 20 ALA MB 5.130 . 5.130 4.315 3.643 5.099 . 0 0 "[ . 1]" 1
210 1 19 PRO QG 1 72 ILE MG 3.810 . 3.810 3.452 2.687 3.979 0.169 7 0 "[ . 1]" 1
211 1 19 PRO QG 1 75 THR H 4.660 . 4.660 4.549 4.127 4.998 0.338 10 0 "[ . 1]" 1
212 1 19 PRO QG 1 75 THR HB 4.570 . 4.570 4.213 3.568 4.649 0.079 3 0 "[ . 1]" 1
213 1 19 PRO QG 1 85 ILE HA 4.620 . 4.620 3.916 3.596 4.250 . 0 0 "[ . 1]" 1
214 1 19 PRO QG 1 85 ILE MG 4.130 . 4.130 2.988 2.255 3.661 . 0 0 "[ . 1]" 1
215 1 19 PRO HG2 1 72 ILE MG 4.430 . 4.430 3.705 2.783 4.532 0.102 7 0 "[ . 1]" 1
216 1 19 PRO HG2 1 75 THR MG 3.550 . 3.550 2.680 2.101 3.493 . 0 0 "[ . 1]" 1
217 1 19 PRO HG3 1 72 ILE MG 4.430 . 4.430 4.182 3.503 4.636 0.206 6 0 "[ . 1]" 1
218 1 19 PRO HG3 1 75 THR MG 3.550 . 3.550 2.328 2.111 2.649 . 0 0 "[ . 1]" 1
219 1 20 ALA H 1 20 ALA MB 3.240 . 3.240 2.208 2.095 2.386 . 0 0 "[ . 1]" 1
220 1 20 ALA H 1 21 ALA H 3.710 . 3.710 2.549 2.050 2.714 . 0 0 "[ . 1]" 1
221 1 20 ALA H 1 21 ALA HA 5.290 . 5.290 5.134 4.737 5.229 . 0 0 "[ . 1]" 1
222 1 20 ALA H 1 85 ILE MG 4.940 . 4.940 3.050 2.217 3.847 . 0 0 "[ . 1]" 1
223 1 20 ALA H 1 87 ILE MG 5.620 . 5.620 4.908 4.077 5.573 . 0 0 "[ . 1]" 1
224 1 20 ALA HA 1 23 ILE HB 3.710 . 3.710 3.012 2.540 3.272 . 0 0 "[ . 1]" 1
225 1 20 ALA HA 1 23 ILE MD 3.450 . 3.450 3.175 2.430 3.591 0.141 2 0 "[ . 1]" 1
226 1 20 ALA HA 1 24 LEU H 4.740 . 4.740 3.643 3.369 4.143 . 0 0 "[ . 1]" 1
227 1 20 ALA HA 1 24 LEU HG 5.700 . 5.700 4.431 3.875 4.797 . 0 0 "[ . 1]" 1
228 1 20 ALA HA 1 72 ILE MD 4.550 . 4.550 3.756 2.360 4.609 0.059 6 0 "[ . 1]" 1
229 1 20 ALA HA 1 72 ILE MG 4.210 . 4.210 3.187 2.703 3.856 . 0 0 "[ . 1]" 1
230 1 20 ALA HA 1 87 ILE MG 5.060 . 5.060 4.798 4.019 5.208 0.148 5 0 "[ . 1]" 1
231 1 20 ALA MB 1 21 ALA H 4.010 . 4.010 2.932 2.759 3.076 . 0 0 "[ . 1]" 1
232 1 20 ALA MB 1 24 LEU H 4.360 . 4.360 3.776 3.354 3.998 . 0 0 "[ . 1]" 1
233 1 20 ALA MB 1 85 ILE HA 4.970 . 4.970 4.199 3.554 4.745 . 0 0 "[ . 1]" 1
234 1 20 ALA MB 1 85 ILE HB 4.060 . 4.060 2.946 2.256 4.106 0.046 6 0 "[ . 1]" 1
235 1 20 ALA MB 1 86 GLY H 4.720 . 4.720 4.103 3.008 4.808 0.088 4 0 "[ . 1]" 1
236 1 20 ALA MB 1 86 GLY QA 4.850 . 4.850 4.176 3.568 4.983 0.133 1 0 "[ . 1]" 1
237 1 20 ALA MB 1 87 ILE HB 5.350 . 5.350 4.902 4.157 5.314 . 0 0 "[ . 1]" 1
238 1 20 ALA MB 1 87 ILE MG 2.900 . 2.900 2.504 1.885 2.826 . 0 0 "[ . 1]" 1
239 1 21 ALA H 1 21 ALA MB 3.070 . 3.070 2.202 2.159 2.228 . 0 0 "[ . 1]" 1
240 1 21 ALA H 1 22 GLY H 4.230 . 4.230 4.506 4.355 4.555 0.325 10 0 "[ . 1]" 1
241 1 21 ALA HA 1 22 GLY H 3.220 . 3.220 2.152 2.128 2.183 . 0 0 "[ . 1]" 1
242 1 21 ALA HA 1 23 ILE H 3.660 . 3.660 3.448 3.353 3.585 . 0 0 "[ . 1]" 1
243 1 21 ALA MB 1 22 GLY H 4.080 . 4.080 3.120 2.856 3.434 . 0 0 "[ . 1]" 1
244 1 21 ALA MB 1 22 GLY QA 4.690 . 4.690 3.751 3.593 3.883 . 0 0 "[ . 1]" 1
245 1 22 GLY H 1 23 ILE H 3.780 . 3.780 2.570 2.235 2.789 . 0 0 "[ . 1]" 1
246 1 23 ILE H 1 23 ILE HB 3.450 . 3.450 2.574 2.496 2.659 . 0 0 "[ . 1]" 1
247 1 23 ILE H 1 23 ILE MD 4.350 . 4.350 3.664 2.269 3.920 . 0 0 "[ . 1]" 1
248 1 23 ILE H 1 23 ILE QG . . 3.780 2.668 2.426 3.628 . 0 0 "[ . 1]" 1
249 1 23 ILE H 1 23 ILE MG 4.260 . 4.260 3.851 3.820 3.882 . 0 0 "[ . 1]" 1
250 1 23 ILE H 1 24 LEU H 3.270 . 3.270 2.169 2.109 2.271 . 0 0 "[ . 1]" 1
251 1 23 ILE HA 1 23 ILE MD 3.970 . 3.970 3.796 3.141 3.892 . 0 0 "[ . 1]" 1
252 1 23 ILE HA 1 23 ILE QG . . 3.380 2.453 2.355 2.485 . 0 0 "[ . 1]" 1
253 1 23 ILE HA 1 23 ILE MG 3.200 . 3.200 2.366 2.326 2.428 . 0 0 "[ . 1]" 1
254 1 23 ILE HA 1 24 LEU QD 5.270 . 5.270 5.065 4.880 5.250 . 0 0 "[ . 1]" 1
255 1 23 ILE HA 1 24 LEU HG 6.000 . 6.000 4.830 4.581 5.094 . 0 0 "[ . 1]" 1
256 1 23 ILE HA 1 70 ALA MB 5.030 . 5.030 4.180 3.228 4.623 . 0 0 "[ . 1]" 1
257 1 23 ILE HB 1 23 ILE MD 2.700 . 2.700 2.339 2.293 2.356 . 0 0 "[ . 1]" 1
258 1 23 ILE HB 1 24 LEU H 3.550 . 3.550 2.364 2.308 2.468 . 0 0 "[ . 1]" 1
259 1 23 ILE HB 1 24 LEU HG 4.040 . 4.040 3.380 3.056 3.856 . 0 0 "[ . 1]" 1
260 1 23 ILE MD 1 24 LEU H 5.020 . 5.020 4.222 3.635 4.326 . 0 0 "[ . 1]" 1
261 1 23 ILE MD 1 70 ALA MB 4.300 . 4.300 2.989 2.560 3.338 . 0 0 "[ . 1]" 1
262 1 23 ILE MD 1 72 ILE HA 4.700 . 4.700 4.108 3.398 4.785 0.085 7 0 "[ . 1]" 1
263 1 23 ILE MD 1 73 LYS H 6.000 . 6.000 5.382 4.655 6.074 0.074 7 0 "[ . 1]" 1
264 1 23 ILE QG 1 23 ILE MG 3.220 . 3.220 2.287 2.112 2.313 . 0 0 "[ . 1]" 1
265 1 23 ILE QG 1 24 LEU H . . 4.560 3.933 3.823 4.393 . 0 0 "[ . 1]" 1
266 1 23 ILE MG 1 24 LEU H 3.950 . 3.950 3.347 3.209 3.435 . 0 0 "[ . 1]" 1
267 1 23 ILE MG 1 24 LEU HA 4.300 . 4.300 3.796 3.680 3.906 . 0 0 "[ . 1]" 1
268 1 23 ILE MG 1 24 LEU QB 5.290 . 5.290 4.035 3.641 4.186 . 0 0 "[ . 1]" 1
269 1 23 ILE MG 1 24 LEU QD 3.520 . 3.520 3.138 2.921 3.321 . 0 0 "[ . 1]" 1
270 1 23 ILE MG 1 61 TYR QE 4.060 . 4.060 3.050 2.708 3.333 . 0 0 "[ . 1]" 1
271 1 23 ILE MG 1 70 ALA HA 4.850 . 4.850 4.353 4.106 4.754 . 0 0 "[ . 1]" 1
272 1 23 ILE MG 1 70 ALA MB 2.950 . 2.950 2.001 1.867 2.344 . 0 0 "[ . 1]" 1
273 1 24 LEU H 1 24 LEU QB 3.560 . 3.560 2.355 2.297 2.447 . 0 0 "[ . 1]" 1
274 1 24 LEU H 1 24 LEU QD 4.410 . 4.410 3.456 3.242 3.562 . 0 0 "[ . 1]" 1
275 1 24 LEU H 1 24 LEU HG 4.670 . 4.670 3.123 2.898 3.354 . 0 0 "[ . 1]" 1
276 1 24 LEU HA 1 24 LEU QD 3.230 . 3.230 2.255 2.183 2.306 . 0 0 "[ . 1]" 1
277 1 24 LEU HA 1 25 HIS H 3.330 . 3.330 2.221 2.149 2.279 . 0 0 "[ . 1]" 1
278 1 24 LEU HA 1 25 HIS QB 4.830 . 4.830 4.164 3.869 4.428 . 0 0 "[ . 1]" 1
279 1 24 LEU HA 1 28 ASP QB 5.280 . 5.280 4.034 3.590 4.326 . 0 0 "[ . 1]" 1
280 1 24 LEU QB 1 24 LEU QD 2.820 . 2.820 1.954 1.945 1.960 . 0 0 "[ . 1]" 1
281 1 24 LEU QB 1 25 HIS H 3.690 . 3.690 2.850 2.616 3.177 . 0 0 "[ . 1]" 1
282 1 24 LEU QB 1 28 ASP QB 4.410 . 4.410 3.830 3.653 4.159 . 0 0 "[ . 1]" 1
283 1 24 LEU QB 1 59 ILE MD 5.810 . 5.810 5.134 4.256 6.219 0.409 4 0 "[ . 1]" 1
284 1 24 LEU HB2 1 25 HIS H 4.430 . 4.430 4.047 3.876 4.281 . 0 0 "[ . 1]" 1
285 1 24 LEU HB3 1 25 HIS H 4.430 . 4.430 2.915 2.660 3.275 . 0 0 "[ . 1]" 1
286 1 24 LEU QD 1 25 HIS H 4.050 . 4.050 3.169 2.870 3.275 . 0 0 "[ . 1]" 1
287 1 24 LEU QD 1 28 ASP H 5.560 . 5.560 5.014 4.625 5.263 . 0 0 "[ . 1]" 1
288 1 24 LEU QD 1 28 ASP HA 4.980 . 4.980 5.123 4.828 5.332 0.352 6 0 "[ . 1]" 1
289 1 24 LEU QD 1 28 ASP QB 3.360 . 3.360 2.903 2.456 3.131 . 0 0 "[ . 1]" 1
290 1 24 LEU QD 1 59 ILE MD 3.910 . 3.910 2.608 1.837 3.545 . 0 0 "[ . 1]" 1
291 1 24 LEU QD 1 59 ILE QG 4.310 . 4.310 2.942 2.271 3.535 . 0 0 "[ . 1]" 1
292 1 24 LEU QD 1 59 ILE MG 3.290 . 3.290 2.685 2.098 3.300 0.010 2 0 "[ . 1]" 1
293 1 24 LEU QD 1 61 TYR QD 3.800 . 3.800 2.705 2.339 3.392 . 0 0 "[ . 1]" 1
294 1 24 LEU QD 1 61 TYR QE 4.100 . 4.100 3.011 2.470 4.197 0.097 7 0 "[ . 1]" 1
295 1 24 LEU HG 1 28 ASP QB 5.810 . 5.810 5.380 4.748 5.565 . 0 0 "[ . 1]" 1
296 1 24 LEU HG 1 59 ILE HB 5.640 . 5.640 5.612 5.102 5.952 0.312 2 0 "[ . 1]" 1
297 1 24 LEU HG 1 59 ILE QG 5.210 . 5.210 4.902 4.044 5.462 0.252 6 0 "[ . 1]" 1
298 1 25 HIS H 1 25 HIS HB2 4.130 . 4.130 3.216 2.537 3.849 . 0 0 "[ . 1]" 1
299 1 25 HIS H 1 25 HIS QB 3.480 . 3.480 2.782 2.482 3.238 . 0 0 "[ . 1]" 1
300 1 25 HIS H 1 25 HIS HB3 4.130 . 4.130 3.259 2.656 3.894 . 0 0 "[ . 1]" 1
301 1 25 HIS HA 1 26 ALA H 3.190 . 3.190 2.251 2.186 2.292 . 0 0 "[ . 1]" 1
302 1 25 HIS HA 1 26 ALA HA 4.420 . 4.420 4.312 4.277 4.377 . 0 0 "[ . 1]" 1
303 1 25 HIS QB 1 26 ALA H 3.520 . 3.520 3.035 2.552 3.641 0.121 10 0 "[ . 1]" 1
304 1 25 HIS HB2 1 26 ALA H 4.340 . 4.340 3.591 2.678 4.182 . 0 0 "[ . 1]" 1
305 1 25 HIS HB3 1 26 ALA H 4.340 . 4.340 3.548 2.602 4.005 . 0 0 "[ . 1]" 1
306 1 26 ALA H 1 26 ALA MB 2.990 . 2.990 2.222 2.210 2.242 . 0 0 "[ . 1]" 1
307 1 26 ALA H 1 27 GLY H 4.870 . 4.870 4.612 4.535 4.639 . 0 0 "[ . 1]" 1
308 1 26 ALA HA 1 27 GLY H 3.220 . 3.220 2.207 2.168 2.229 . 0 0 "[ . 1]" 1
309 1 26 ALA HA 1 28 ASP H 4.080 . 4.080 3.289 3.232 3.411 . 0 0 "[ . 1]" 1
310 1 26 ALA MB 1 27 GLY H 3.730 . 3.730 2.948 2.814 3.186 . 0 0 "[ . 1]" 1
311 1 26 ALA MB 1 27 GLY QA 4.700 . 4.700 3.697 3.649 3.782 . 0 0 "[ . 1]" 1
312 1 26 ALA MB 1 28 ASP H 4.940 . 4.940 4.367 4.260 4.491 . 0 0 "[ . 1]" 1
313 1 27 GLY H 1 28 ASP H 3.680 . 3.680 2.475 2.385 2.617 . 0 0 "[ . 1]" 1
314 1 28 ASP H 1 28 ASP QB 3.220 . 3.220 2.330 2.265 2.544 . 0 0 "[ . 1]" 1
315 1 28 ASP HA 1 29 LEU H 3.270 . 3.270 2.214 2.159 2.316 . 0 0 "[ . 1]" 1
316 1 28 ASP HA 1 29 LEU HA 4.710 . 4.710 4.471 4.450 4.498 . 0 0 "[ . 1]" 1
317 1 29 LEU H 1 29 LEU HB2 3.940 . 3.940 2.632 2.261 2.728 . 0 0 "[ . 1]" 1
318 1 29 LEU H 1 29 LEU HB3 3.740 . 3.740 3.596 2.457 3.797 0.057 1 0 "[ . 1]" 1
319 1 29 LEU H 1 29 LEU QD 3.640 . 3.640 2.773 1.968 3.754 0.114 8 0 "[ . 1]" 1
320 1 29 LEU H 1 29 LEU HG 4.600 . 4.600 3.071 2.191 4.444 . 0 0 "[ . 1]" 1
321 1 29 LEU H 1 61 TYR HB2 5.240 . 5.240 3.726 3.166 4.214 . 0 0 "[ . 1]" 1
322 1 29 LEU H 1 62 LYS H 4.130 . 4.130 3.579 2.996 4.085 . 0 0 "[ . 1]" 1
323 1 29 LEU HA 1 29 LEU QD 3.250 . 3.250 2.578 2.141 3.127 . 0 0 "[ . 1]" 1
324 1 29 LEU HA 1 29 LEU HG 4.120 . 4.120 2.899 2.468 3.348 . 0 0 "[ . 1]" 1
325 1 29 LEU HA 1 30 ILE H 3.490 . 3.490 2.198 2.176 2.311 . 0 0 "[ . 1]" 1
326 1 29 LEU HA 1 30 ILE HA 4.400 . 4.400 4.437 4.420 4.459 0.059 8 0 "[ . 1]" 1
327 1 29 LEU HA 1 30 ILE HB 5.150 . 5.150 4.762 4.670 4.937 . 0 0 "[ . 1]" 1
328 1 29 LEU HB2 1 61 TYR HA 5.350 . 5.350 5.236 4.839 5.850 0.500 8 1 "[ . + 1]" 1
329 1 29 LEU HB2 1 62 LYS H 4.070 . 4.070 3.849 3.365 4.470 0.400 8 0 "[ . 1]" 1
330 1 29 LEU HB3 1 30 ILE H 4.690 . 4.690 3.553 3.132 4.201 . 0 0 "[ . 1]" 1
331 1 29 LEU HB3 1 62 LYS H 5.250 . 5.250 4.893 3.022 5.423 0.173 3 0 "[ . 1]" 1
332 1 30 ILE H 1 30 ILE HB 3.690 . 3.690 2.583 2.510 2.674 . 0 0 "[ . 1]" 1
333 1 30 ILE H 1 30 ILE MD 4.540 . 4.540 3.200 2.789 3.687 . 0 0 "[ . 1]" 1
334 1 30 ILE H 1 30 ILE QG 4.720 . 4.720 2.140 1.933 2.328 . 0 0 "[ . 1]" 1
335 1 30 ILE H 1 30 ILE MG 4.290 . 4.290 3.787 3.767 3.808 . 0 0 "[ . 1]" 1
336 1 30 ILE H 1 31 THR H 4.720 . 4.720 4.490 4.403 4.529 . 0 0 "[ . 1]" 1
337 1 30 ILE H 1 31 THR MG 4.930 . 4.930 4.852 4.273 5.199 0.269 3 0 "[ . 1]" 1
338 1 30 ILE HA 1 30 ILE MD 4.100 . 4.100 2.723 2.219 3.857 . 0 0 "[ . 1]" 1
339 1 30 ILE HA 1 31 THR H 3.370 . 3.370 2.168 2.137 2.200 . 0 0 "[ . 1]" 1
340 1 30 ILE HA 1 32 GLU H 4.290 . 4.290 4.051 3.769 4.268 . 0 0 "[ . 1]" 1
341 1 30 ILE HA 1 59 ILE MG 5.570 . 5.570 5.142 3.835 5.822 0.252 9 0 "[ . 1]" 1
342 1 30 ILE HA 1 61 TYR HA 3.660 . 3.660 2.532 2.270 2.836 . 0 0 "[ . 1]" 1
343 1 30 ILE HA 1 61 TYR HB2 3.740 . 3.740 2.873 2.374 3.167 . 0 0 "[ . 1]" 1
344 1 30 ILE HA 1 62 LYS H 4.940 . 4.940 4.022 3.450 4.519 . 0 0 "[ . 1]" 1
345 1 30 ILE HB 1 30 ILE MD 3.590 . 3.590 2.991 2.357 3.268 . 0 0 "[ . 1]" 1
346 1 30 ILE MD 1 30 ILE MG 2.830 . 2.830 1.949 1.907 1.981 . 0 0 "[ . 1]" 1
347 1 30 ILE MD 1 31 THR H 5.200 . 5.200 4.254 3.834 5.102 . 0 0 "[ . 1]" 1
348 1 30 ILE MD 1 44 PHE HZ 4.160 . 4.160 3.917 2.417 4.544 0.384 2 0 "[ . 1]" 1
349 1 30 ILE MD 1 59 ILE HB 5.190 . 5.190 5.023 4.718 5.290 0.100 7 0 "[ . 1]" 1
350 1 30 ILE MD 1 59 ILE MG 3.860 . 3.860 3.519 2.474 4.324 0.464 6 0 "[ . 1]" 1
351 1 30 ILE MD 1 60 LYS H 5.370 . 5.370 4.313 3.803 5.072 . 0 0 "[ . 1]" 1
352 1 30 ILE MD 1 61 TYR HB2 4.280 . 4.280 3.163 2.380 4.564 0.284 6 0 "[ . 1]" 1
353 1 30 ILE QG 1 61 TYR HA 5.350 . 5.350 4.870 3.510 5.485 0.135 5 0 "[ . 1]" 1
354 1 30 ILE QG 1 61 TYR HB2 5.030 . 5.030 4.004 2.648 4.705 . 0 0 "[ . 1]" 1
355 1 30 ILE QG 1 61 TYR QD 5.240 . 5.240 4.916 3.826 5.511 0.271 10 0 "[ . 1]" 1
356 1 30 ILE MG 1 31 THR H 4.000 . 4.000 2.713 2.462 3.007 . 0 0 "[ . 1]" 1
357 1 30 ILE MG 1 32 GLU H 3.700 . 3.700 2.756 2.584 2.946 . 0 0 "[ . 1]" 1
358 1 30 ILE MG 1 32 GLU HA 4.690 . 4.690 3.754 3.560 4.046 . 0 0 "[ . 1]" 1
359 1 30 ILE MG 1 59 ILE HA 5.020 . 5.020 3.971 3.633 4.490 . 0 0 "[ . 1]" 1
360 1 30 ILE MG 1 60 LYS H 4.510 . 4.510 3.001 2.780 3.423 . 0 0 "[ . 1]" 1
361 1 30 ILE MG 1 60 LYS HA 5.320 . 5.320 4.888 4.607 5.290 . 0 0 "[ . 1]" 1
362 1 30 ILE MG 1 61 TYR HA 4.570 . 4.570 3.820 3.380 4.157 . 0 0 "[ . 1]" 1
363 1 30 ILE MG 1 61 TYR HB2 4.250 . 4.250 4.206 3.621 4.528 0.278 2 0 "[ . 1]" 1
364 1 30 ILE MG 1 61 TYR QD 4.750 . 4.750 4.335 3.919 4.801 0.051 7 0 "[ . 1]" 1
365 1 31 THR H 1 31 THR MG 3.610 . 3.610 2.356 2.223 2.448 . 0 0 "[ . 1]" 1
366 1 31 THR H 1 32 GLU H 3.060 . 3.060 2.324 1.882 2.577 . 0 0 "[ . 1]" 1
367 1 31 THR H 1 61 TYR HA 3.860 . 3.860 2.454 2.072 3.005 . 0 0 "[ . 1]" 1
368 1 31 THR H 1 61 TYR HB2 4.780 . 4.780 4.245 3.993 4.837 0.057 7 0 "[ . 1]" 1
369 1 31 THR HA 1 31 THR MG 3.010 . 3.010 2.399 2.350 2.599 . 0 0 "[ . 1]" 1
370 1 31 THR MG 1 32 GLU H 4.270 . 4.270 3.785 3.648 3.910 . 0 0 "[ . 1]" 1
371 1 31 THR MG 1 32 GLU HA 5.790 . 5.790 5.644 5.568 5.687 . 0 0 "[ . 1]" 1
372 1 31 THR MG 1 60 LYS HA 6.000 . 6.000 5.459 5.067 6.361 0.361 7 0 "[ . 1]" 1
373 1 31 THR MG 1 61 TYR HA 4.150 . 4.150 2.579 2.367 3.343 . 0 0 "[ . 1]" 1
374 1 31 THR MG 1 62 LYS H 4.490 . 4.490 3.038 2.519 3.624 . 0 0 "[ . 1]" 1
375 1 32 GLU H 1 32 GLU QB 3.490 . 3.490 2.757 2.723 2.787 . 0 0 "[ . 1]" 1
376 1 32 GLU H 1 32 GLU QG 4.870 . 4.870 4.192 4.002 4.382 . 0 0 "[ . 1]" 1
377 1 32 GLU H 1 60 LYS H 4.120 . 4.120 3.648 3.322 4.219 0.099 7 0 "[ . 1]" 1
378 1 32 GLU H 1 60 LYS QB 3.970 . 3.970 2.458 1.854 4.020 0.050 3 0 "[ . 1]" 1
379 1 32 GLU H 1 61 TYR HA 5.050 . 5.050 4.317 3.855 4.887 . 0 0 "[ . 1]" 1
380 1 32 GLU HA 1 32 GLU QG 3.630 . 3.630 2.425 2.234 2.891 . 0 0 "[ . 1]" 1
381 1 32 GLU HA 1 33 ILE H 3.230 . 3.230 2.303 2.229 2.372 . 0 0 "[ . 1]" 1
382 1 32 GLU HA 1 36 GLN H 5.930 . 5.930 5.377 4.839 5.761 . 0 0 "[ . 1]" 1
383 1 32 GLU HA 1 60 LYS QG 5.340 . 5.340 5.358 4.375 5.784 0.444 1 0 "[ . 1]" 1
384 1 32 GLU QB 1 33 ILE H 4.140 . 4.140 3.373 2.677 3.557 . 0 0 "[ . 1]" 1
385 1 32 GLU QB 1 60 LYS H 4.990 . 4.990 4.651 4.343 5.315 0.325 3 0 "[ . 1]" 1
386 1 32 GLU QB 1 60 LYS QE 4.330 . 4.330 3.856 3.322 4.342 0.012 2 0 "[ . 1]" 1
387 1 32 GLU QB 1 60 LYS QG 4.340 . 4.340 3.220 2.676 3.769 . 0 0 "[ . 1]" 1
388 1 32 GLU HB2 1 60 LYS QE 5.000 . 5.000 4.828 3.922 5.311 0.311 2 0 "[ . 1]" 1
389 1 32 GLU HB3 1 60 LYS QE 5.000 . 5.000 4.117 3.398 4.606 . 0 0 "[ . 1]" 1
390 1 32 GLU QG 1 33 ILE H 3.980 . 3.980 2.229 1.931 2.661 . 0 0 "[ . 1]" 1
391 1 32 GLU QG 1 35 GLY H 4.270 . 4.270 2.850 2.353 4.335 0.065 3 0 "[ . 1]" 1
392 1 32 GLU QG 1 36 GLN H 4.700 . 4.700 3.396 2.621 4.157 . 0 0 "[ . 1]" 1
393 1 32 GLU QG 1 60 LYS QG 4.840 . 4.840 4.991 4.657 5.261 0.421 1 0 "[ . 1]" 1
394 1 33 ILE H 1 33 ILE MD 4.810 . 4.810 4.046 2.583 4.831 0.021 10 0 "[ . 1]" 1
395 1 33 ILE H 1 33 ILE QG 4.500 . 4.500 3.870 3.171 4.358 . 0 0 "[ . 1]" 1
396 1 33 ILE H 1 33 ILE MG 4.160 . 4.160 3.140 2.310 3.927 . 0 0 "[ . 1]" 1
397 1 33 ILE H 1 34 ASP H 5.180 . 5.180 4.296 4.230 4.362 . 0 0 "[ . 1]" 1
398 1 33 ILE H 1 36 GLN H 3.510 . 3.510 3.419 2.896 3.663 0.153 1 0 "[ . 1]" 1
399 1 33 ILE HA 1 33 ILE MD 4.040 . 4.040 3.298 2.251 3.824 . 0 0 "[ . 1]" 1
400 1 33 ILE HA 1 33 ILE MG 3.560 . 3.560 2.904 2.355 3.244 . 0 0 "[ . 1]" 1
401 1 33 ILE HA 1 34 ASP H 3.380 . 3.380 2.193 2.095 2.281 . 0 0 "[ . 1]" 1
402 1 33 ILE HA 1 34 ASP HA 4.500 . 4.500 4.389 4.345 4.433 . 0 0 "[ . 1]" 1
403 1 33 ILE HB 1 34 ASP H 5.020 . 5.020 4.276 4.077 4.488 . 0 0 "[ . 1]" 1
404 1 33 ILE HB 1 44 PHE HZ 5.800 . 5.800 4.417 2.458 6.091 0.291 4 0 "[ . 1]" 1
405 1 33 ILE HB 1 47 TYR QE 5.790 . 5.790 5.392 4.517 5.889 0.099 8 0 "[ . 1]" 1
406 1 33 ILE MD 1 44 PHE HZ 4.010 . 4.010 3.418 2.297 4.494 0.484 1 0 "[ . 1]" 1
407 1 33 ILE MG 1 34 ASP H 4.250 . 4.250 3.210 2.518 3.844 . 0 0 "[ . 1]" 1
408 1 33 ILE MG 1 34 ASP QB 4.490 . 4.490 2.756 2.410 3.116 . 0 0 "[ . 1]" 1
409 1 33 ILE MG 1 36 GLN H 4.830 . 4.830 3.904 3.515 4.455 . 0 0 "[ . 1]" 1
410 1 33 ILE MG 1 44 PHE HA 4.590 . 4.590 4.323 3.679 4.961 0.371 2 0 "[ . 1]" 1
411 1 33 ILE MG 1 44 PHE QD 4.470 . 4.470 3.302 2.302 4.633 0.163 3 0 "[ . 1]" 1
412 1 33 ILE MG 1 44 PHE HZ 4.640 . 4.640 3.721 3.030 4.602 . 0 0 "[ . 1]" 1
413 1 33 ILE MG 1 47 TYR HB2 4.490 . 4.490 4.010 3.143 4.783 0.293 7 0 "[ . 1]" 1
414 1 33 ILE MG 1 47 TYR QD 3.550 . 3.550 2.985 2.680 3.174 . 0 0 "[ . 1]" 1
415 1 33 ILE MG 1 47 TYR QE 3.470 . 3.470 3.282 2.811 3.676 0.206 5 0 "[ . 1]" 1
416 1 33 ILE MG 1 58 LYS H 5.200 . 5.200 4.808 3.128 5.519 0.319 6 0 "[ . 1]" 1
417 1 34 ASP H 1 35 GLY H 4.100 . 4.100 2.862 2.733 2.995 . 0 0 "[ . 1]" 1
418 1 34 ASP H 1 58 LYS H 4.310 . 4.310 3.357 2.883 4.179 . 0 0 "[ . 1]" 1
419 1 34 ASP H 1 58 LYS HB2 5.330 . 5.330 3.728 2.552 5.146 . 0 0 "[ . 1]" 1
420 1 34 ASP H 1 58 LYS QB 4.550 . 4.550 3.026 2.524 3.557 . 0 0 "[ . 1]" 1
421 1 34 ASP H 1 58 LYS HB3 5.330 . 5.330 3.822 2.760 4.746 . 0 0 "[ . 1]" 1
422 1 34 ASP H 1 60 LYS H 5.490 . 5.490 5.195 4.378 5.756 0.266 8 0 "[ . 1]" 1
423 1 34 ASP HA 1 58 LYS H 4.700 . 4.700 3.600 2.803 4.306 . 0 0 "[ . 1]" 1
424 1 34 ASP HA 1 58 LYS HB2 4.430 . 4.430 3.480 2.731 4.516 0.086 2 0 "[ . 1]" 1
425 1 34 ASP HA 1 58 LYS QB 3.630 . 3.630 2.921 2.473 3.247 . 0 0 "[ . 1]" 1
426 1 34 ASP HA 1 58 LYS HB3 4.430 . 4.430 3.924 2.493 4.652 0.222 6 0 "[ . 1]" 1
427 1 35 GLY H 1 36 GLN H 3.950 . 3.950 2.626 2.502 2.764 . 0 0 "[ . 1]" 1
428 1 35 GLY QA 1 36 GLN QG 4.590 . 4.590 3.832 3.351 4.564 . 0 0 "[ . 1]" 1
429 1 36 GLN H 1 36 GLN HB2 4.110 . 4.110 2.969 2.455 3.927 . 0 0 "[ . 1]" 1
430 1 36 GLN H 1 36 GLN HB3 4.110 . 4.110 3.551 2.463 3.909 . 0 0 "[ . 1]" 1
431 1 36 GLN H 1 36 GLN QG 3.710 . 3.710 2.561 2.281 3.041 . 0 0 "[ . 1]" 1
432 1 36 GLN HA 1 36 GLN QG 3.320 . 3.320 2.837 2.376 3.349 0.029 7 0 "[ . 1]" 1
433 1 36 GLN HA 1 37 SER H 2.900 . 2.900 2.292 2.145 2.402 . 0 0 "[ . 1]" 1
434 1 36 GLN QB 1 37 SER H 3.750 . 3.750 2.679 2.270 3.190 . 0 0 "[ . 1]" 1
435 1 36 GLN QB 1 38 PHE QE 4.350 . 4.350 3.780 2.404 4.738 0.388 7 0 "[ . 1]" 1
436 1 36 GLN HB2 1 37 SER H 4.430 . 4.430 3.477 2.293 4.215 . 0 0 "[ . 1]" 1
437 1 36 GLN HB2 1 38 PHE QE 5.180 . 5.180 4.694 3.426 5.409 0.229 7 0 "[ . 1]" 1
438 1 36 GLN HB3 1 37 SER H 4.430 . 4.430 3.117 2.431 4.029 . 0 0 "[ . 1]" 1
439 1 36 GLN HB3 1 38 PHE QE 5.180 . 5.180 4.102 2.433 5.349 0.169 6 0 "[ . 1]" 1
440 1 36 GLN QG 1 37 SER H 5.040 . 5.040 4.000 3.155 4.628 . 0 0 "[ . 1]" 1
441 1 37 SER H 1 38 PHE H 4.250 . 4.250 3.775 2.541 4.543 0.293 7 0 "[ . 1]" 1
442 1 37 SER QB 1 38 PHE H 3.510 . 3.510 2.979 1.874 3.938 0.428 10 0 "[ . 1]" 1
443 1 38 PHE HA 1 38 PHE QD 4.130 . 4.130 3.101 2.384 3.736 . 0 0 "[ . 1]" 1
444 1 38 PHE QB 1 39 LYS H 4.460 . 4.460 2.866 1.952 3.995 . 0 0 "[ . 1]" 1
445 1 38 PHE QB 1 39 LYS QB 5.090 . 5.090 4.437 3.290 5.397 0.307 3 0 "[ . 1]" 1
446 1 38 PHE QB 1 40 SER H 5.070 . 5.070 4.274 2.849 5.427 0.357 10 0 "[ . 1]" 1
447 1 39 LYS H 1 39 LYS QB 3.560 . 3.560 2.622 2.207 2.986 . 0 0 "[ . 1]" 1
448 1 39 LYS H 1 39 LYS QG 4.590 . 4.590 3.206 1.815 4.342 . 0 0 "[ . 1]" 1
449 1 39 LYS H 1 40 SER H 3.540 . 3.540 2.836 2.239 3.596 0.056 8 0 "[ . 1]" 1
450 1 39 LYS HA 1 39 LYS QG 3.700 . 3.700 2.539 2.333 3.336 . 0 0 "[ . 1]" 1
451 1 39 LYS QB 1 40 SER H 4.390 . 4.390 2.831 1.796 4.066 0.004 1 0 "[ . 1]" 1
452 1 39 LYS QE 1 40 SER H 5.570 . 5.570 5.315 3.937 5.966 0.396 8 0 "[ . 1]" 1
453 1 40 SER H 1 40 SER QB 3.660 . 3.660 2.761 2.318 3.587 . 0 0 "[ . 1]" 1
454 1 40 SER H 1 41 SER H 5.160 . 5.160 4.303 3.495 4.613 . 0 0 "[ . 1]" 1
455 1 40 SER QB 1 41 SER H 3.810 . 3.810 3.005 1.819 3.867 0.057 6 0 "[ . 1]" 1
456 1 40 SER QB 1 42 GLN H 4.010 . 4.010 3.350 2.450 4.411 0.401 6 0 "[ . 1]" 1
457 1 40 SER QB 1 43 GLU H 4.580 . 4.580 2.918 2.501 4.027 . 0 0 "[ . 1]" 1
458 1 41 SER H 1 42 GLN H 3.900 . 3.900 2.659 2.415 2.838 . 0 0 "[ . 1]" 1
459 1 42 GLN H 1 42 GLN QG 4.590 . 4.590 3.377 1.977 4.065 . 0 0 "[ . 1]" 1
460 1 42 GLN H 1 43 GLU H 3.780 . 3.780 2.756 2.584 2.945 . 0 0 "[ . 1]" 1
461 1 42 GLN H 1 45 ILE MD 6.000 . 6.000 4.686 3.706 5.866 . 0 0 "[ . 1]" 1
462 1 42 GLN HA 1 44 PHE H 4.890 . 4.890 3.948 3.710 4.228 . 0 0 "[ . 1]" 1
463 1 42 GLN HA 1 45 ILE H 4.210 . 4.210 3.345 3.144 3.614 . 0 0 "[ . 1]" 1
464 1 42 GLN HA 1 45 ILE HB 3.540 . 3.540 2.894 2.597 3.223 . 0 0 "[ . 1]" 1
465 1 42 GLN HA 1 45 ILE MD 4.720 . 4.720 3.247 2.388 4.767 0.047 9 0 "[ . 1]" 1
466 1 42 GLN HA 1 45 ILE QG 4.710 . 4.710 3.562 2.445 4.200 . 0 0 "[ . 1]" 1
467 1 42 GLN HA 1 45 ILE MG 4.740 . 4.740 4.285 3.889 4.612 . 0 0 "[ . 1]" 1
468 1 42 GLN HA 1 46 ASP H 4.510 . 4.510 4.355 3.870 4.649 0.139 4 0 "[ . 1]" 1
469 1 42 GLN QG 1 43 GLU H 4.830 . 4.830 4.103 3.666 4.554 . 0 0 "[ . 1]" 1
470 1 42 GLN QG 1 45 ILE HB 4.250 . 4.250 4.004 3.116 4.463 0.213 2 0 "[ . 1]" 1
471 1 42 GLN QG 1 45 ILE MG 4.920 . 4.920 4.526 3.685 5.016 0.096 9 0 "[ . 1]" 1
472 1 43 GLU H 1 43 GLU QG 4.240 . 4.240 3.209 2.023 4.071 . 0 0 "[ . 1]" 1
473 1 43 GLU HA 1 43 GLU QG 3.500 . 3.500 2.744 2.367 3.327 . 0 0 "[ . 1]" 1
474 1 43 GLU HA 1 46 ASP H 4.670 . 4.670 3.508 3.226 3.661 . 0 0 "[ . 1]" 1
475 1 43 GLU HA 1 46 ASP QB 3.590 . 3.590 2.720 2.408 3.078 . 0 0 "[ . 1]" 1
476 1 43 GLU HA 1 47 TYR H 5.070 . 5.070 4.687 4.492 4.913 . 0 0 "[ . 1]" 1
477 1 43 GLU QG 1 44 PHE H 5.030 . 5.030 3.887 2.164 4.519 . 0 0 "[ . 1]" 1
478 1 44 PHE H 1 44 PHE HB2 3.340 . 3.340 2.501 2.316 2.759 . 0 0 "[ . 1]" 1
479 1 44 PHE H 1 45 ILE H 3.730 . 3.730 2.568 2.515 2.619 . 0 0 "[ . 1]" 1
480 1 44 PHE H 1 45 ILE HB 4.910 . 4.910 4.635 4.466 4.944 0.034 2 0 "[ . 1]" 1
481 1 44 PHE H 1 46 ASP H 4.960 . 4.960 3.769 3.700 3.902 . 0 0 "[ . 1]" 1
482 1 44 PHE H 1 48 ILE MD 5.850 . 5.850 5.992 5.622 6.122 0.272 9 0 "[ . 1]" 1
483 1 44 PHE HA 1 47 TYR H 4.590 . 4.590 3.360 3.152 3.525 . 0 0 "[ . 1]" 1
484 1 44 PHE HA 1 47 TYR HB2 4.350 . 4.350 3.811 3.245 4.473 0.123 5 0 "[ . 1]" 1
485 1 44 PHE HB2 1 45 ILE H 3.620 . 3.620 3.684 3.537 3.829 0.209 7 0 "[ . 1]" 1
486 1 44 PHE HB2 1 45 ILE MD 4.420 . 4.420 4.036 3.665 4.563 0.143 9 0 "[ . 1]" 1
487 1 44 PHE QD 1 45 ILE HA 4.740 . 4.740 3.715 3.097 4.417 . 0 0 "[ . 1]" 1
488 1 44 PHE QD 1 45 ILE MD 4.810 . 4.810 2.607 2.384 2.869 . 0 0 "[ . 1]" 1
489 1 44 PHE QD 1 48 ILE H 4.720 . 4.720 4.295 3.486 4.798 0.078 3 0 "[ . 1]" 1
490 1 44 PHE QD 1 48 ILE MD 3.440 . 3.440 2.749 2.297 3.440 . 0 0 "[ . 1]" 1
491 1 44 PHE QD 1 48 ILE QG 4.080 . 4.080 3.102 2.853 3.268 . 0 0 "[ . 1]" 1
492 1 44 PHE HZ 1 48 ILE MD 4.710 . 4.710 3.903 2.617 4.796 0.086 5 0 "[ . 1]" 1
493 1 44 PHE HZ 1 59 ILE HA 6.000 . 6.000 5.744 4.787 6.280 0.280 2 0 "[ . 1]" 1
494 1 44 PHE HZ 1 59 ILE MD 4.550 . 4.550 3.520 2.709 4.540 . 0 0 "[ . 1]" 1
495 1 44 PHE HZ 1 59 ILE QG 5.810 . 5.810 4.473 2.980 5.804 . 0 0 "[ . 1]" 1
496 1 45 ILE H 1 45 ILE HB 3.480 . 3.480 2.464 2.294 2.764 . 0 0 "[ . 1]" 1
497 1 45 ILE H 1 45 ILE MD 4.120 . 4.120 2.162 1.765 2.881 0.035 1 0 "[ . 1]" 1
498 1 45 ILE H 1 45 ILE QG 4.020 . 4.020 2.962 1.912 3.449 . 0 0 "[ . 1]" 1
499 1 45 ILE H 1 45 ILE MG 3.900 . 3.900 3.778 3.735 3.799 . 0 0 "[ . 1]" 1
500 1 45 ILE H 1 46 ASP H 3.630 . 3.630 2.625 2.544 2.738 . 0 0 "[ . 1]" 1
501 1 45 ILE H 1 48 ILE MD 4.620 . 4.620 4.275 3.929 4.441 . 0 0 "[ . 1]" 1
502 1 45 ILE HA 1 45 ILE MD 3.800 . 3.800 2.489 2.206 2.792 . 0 0 "[ . 1]" 1
503 1 45 ILE HA 1 45 ILE QG 3.560 . 3.560 2.617 2.343 3.126 . 0 0 "[ . 1]" 1
504 1 45 ILE HA 1 45 ILE MG 3.390 . 3.390 2.509 2.319 2.635 . 0 0 "[ . 1]" 1
505 1 45 ILE HA 1 48 ILE H 4.340 . 4.340 3.540 3.260 3.844 . 0 0 "[ . 1]" 1
506 1 45 ILE HA 1 48 ILE HB 4.460 . 4.460 3.740 3.036 4.597 0.137 8 0 "[ . 1]" 1
507 1 45 ILE HA 1 48 ILE MD 4.030 . 4.030 2.330 2.284 2.367 . 0 0 "[ . 1]" 1
508 1 45 ILE HA 1 48 ILE QG 3.770 . 3.770 2.486 2.239 2.718 . 0 0 "[ . 1]" 1
509 1 45 ILE HB 1 45 ILE MD 3.470 . 3.470 2.635 2.341 3.267 . 0 0 "[ . 1]" 1
510 1 45 ILE HB 1 46 ASP H 3.620 . 3.620 2.941 2.841 3.008 . 0 0 "[ . 1]" 1
511 1 45 ILE QG 1 45 ILE MG 3.230 . 3.230 2.158 2.091 2.285 . 0 0 "[ . 1]" 1
512 1 45 ILE MG 1 46 ASP H 3.740 . 3.740 3.537 3.202 3.880 0.140 2 0 "[ . 1]" 1
513 1 45 ILE MG 1 46 ASP HA 4.250 . 4.250 3.492 3.165 3.913 . 0 0 "[ . 1]" 1
514 1 45 ILE MG 1 48 ILE HB 4.810 . 4.810 4.194 3.328 5.205 0.395 8 0 "[ . 1]" 1
515 1 45 ILE MG 1 48 ILE QG 4.110 . 4.110 4.010 3.579 4.431 0.321 6 0 "[ . 1]" 1
516 1 46 ASP H 1 46 ASP QB 3.140 . 3.140 2.388 2.255 2.520 . 0 0 "[ . 1]" 1
517 1 46 ASP H 1 47 TYR H 3.650 . 3.650 2.615 2.528 2.714 . 0 0 "[ . 1]" 1
518 1 46 ASP HA 1 49 HIS H 4.190 . 4.190 3.810 3.640 3.947 . 0 0 "[ . 1]" 1
519 1 46 ASP HA 1 49 HIS QB 3.570 . 3.570 3.096 2.534 3.533 . 0 0 "[ . 1]" 1
520 1 46 ASP QB 1 47 TYR H 3.600 . 3.600 2.713 2.645 2.779 . 0 0 "[ . 1]" 1
521 1 47 TYR H 1 47 TYR HB2 3.520 . 3.520 2.796 2.568 3.209 . 0 0 "[ . 1]" 1
522 1 47 TYR H 1 48 ILE H 3.740 . 3.740 2.680 2.613 2.772 . 0 0 "[ . 1]" 1
523 1 47 TYR HA 1 47 TYR QE 5.390 . 5.390 4.719 4.398 5.122 . 0 0 "[ . 1]" 1
524 1 47 TYR HB2 1 47 TYR QD 3.180 . 3.180 2.488 2.456 2.549 . 0 0 "[ . 1]" 1
525 1 47 TYR HB2 1 48 ILE H 3.650 . 3.650 3.895 3.740 4.117 0.467 5 0 "[ . 1]" 1
526 1 47 TYR HB2 1 48 ILE QG 4.910 . 4.910 4.778 4.545 5.012 0.102 9 0 "[ . 1]" 1
527 1 47 TYR QD 1 48 ILE HA 4.460 . 4.460 3.028 2.576 3.665 . 0 0 "[ . 1]" 1
528 1 47 TYR QD 1 48 ILE QG 4.460 . 4.460 2.849 2.253 3.759 . 0 0 "[ . 1]" 1
529 1 47 TYR QD 1 48 ILE MG 4.140 . 4.140 3.643 2.683 4.476 0.336 5 0 "[ . 1]" 1
530 1 47 TYR QE 1 48 ILE MG 4.080 . 4.080 4.093 3.567 4.454 0.374 6 0 "[ . 1]" 1
531 1 48 ILE H 1 48 ILE HB 3.660 . 3.660 3.055 2.668 3.536 . 0 0 "[ . 1]" 1
532 1 48 ILE H 1 48 ILE MD 4.150 . 4.150 3.501 3.444 3.551 . 0 0 "[ . 1]" 1
533 1 48 ILE H 1 48 ILE QG . . 3.140 1.799 1.721 1.861 0.079 4 0 "[ . 1]" 1
534 1 48 ILE H 1 49 HIS H 3.640 . 3.640 2.752 2.595 2.859 . 0 0 "[ . 1]" 1
535 1 48 ILE HA 1 48 ILE MD 4.050 . 4.050 4.002 3.886 4.186 0.136 7 0 "[ . 1]" 1
536 1 48 ILE HA 1 48 ILE QG . . 3.510 2.774 2.507 3.230 . 0 0 "[ . 1]" 1
537 1 48 ILE HA 1 48 ILE MG 3.240 . 3.240 2.275 2.187 2.338 . 0 0 "[ . 1]" 1
538 1 48 ILE HA 1 51 LYS H 5.490 . 5.490 4.412 3.318 5.857 0.367 7 0 "[ . 1]" 1
539 1 48 ILE HA 1 51 LYS QG 4.190 . 4.190 4.061 3.477 4.645 0.455 5 0 "[ . 1]" 1
540 1 48 ILE HB 1 48 ILE MD 3.550 . 3.550 2.349 2.318 2.372 . 0 0 "[ . 1]" 1
541 1 48 ILE HB 1 49 HIS H 3.690 . 3.690 2.926 2.501 3.537 . 0 0 "[ . 1]" 1
542 1 48 ILE MD 1 48 ILE MG 2.710 . 2.710 1.965 1.921 2.016 . 0 0 "[ . 1]" 1
543 1 48 ILE MD 1 49 HIS H 5.240 . 5.240 4.321 3.683 4.575 . 0 0 "[ . 1]" 1
544 1 48 ILE QG 1 48 ILE MG 3.150 . 3.150 2.294 2.266 2.309 . 0 0 "[ . 1]" 1
545 1 48 ILE QG 1 49 HIS H 4.550 . 4.550 3.342 2.151 3.860 . 0 0 "[ . 1]" 1
546 1 48 ILE MG 1 49 HIS HA 5.380 . 5.380 4.346 3.620 5.280 . 0 0 "[ . 1]" 1
547 1 49 HIS H 1 49 HIS QB 3.260 . 3.260 2.380 2.219 2.463 . 0 0 "[ . 1]" 1
548 1 49 HIS H 1 50 SER H 3.720 . 3.720 2.466 2.216 2.682 . 0 0 "[ . 1]" 1
549 1 49 HIS HA 1 83 PRO QD 5.810 . 5.810 3.515 2.925 4.116 . 0 0 "[ . 1]" 1
550 1 49 HIS QB 1 50 SER H 4.190 . 4.190 3.004 2.904 3.168 . 0 0 "[ . 1]" 1
551 1 50 SER H 1 50 SER QB 3.500 . 3.500 2.359 2.251 2.749 . 0 0 "[ . 1]" 1
552 1 50 SER H 1 51 LYS H 3.410 . 3.410 2.822 2.253 3.901 0.491 7 0 "[ . 1]" 1
553 1 50 SER H 1 51 LYS QG 5.450 . 5.450 4.451 3.853 5.939 0.489 5 0 "[ . 1]" 1
554 1 51 LYS H 1 51 LYS HB2 4.000 . 4.000 2.619 2.344 3.477 . 0 0 "[ . 1]" 1
555 1 51 LYS H 1 51 LYS QB 3.280 . 3.280 2.546 2.238 3.278 . 0 0 "[ . 1]" 1
556 1 51 LYS H 1 51 LYS HB3 4.000 . 4.000 3.569 2.747 4.011 0.011 7 0 "[ . 1]" 1
557 1 51 LYS H 1 51 LYS QD 4.890 . 4.890 3.931 2.940 4.709 . 0 0 "[ . 1]" 1
558 1 51 LYS H 1 51 LYS HG2 4.570 . 4.570 3.325 2.388 4.686 0.116 8 0 "[ . 1]" 1
559 1 51 LYS H 1 51 LYS QG 3.770 . 3.770 3.057 2.359 4.104 0.334 5 0 "[ . 1]" 1
560 1 51 LYS H 1 51 LYS HG3 4.570 . 4.570 4.042 2.730 4.752 0.182 3 0 "[ . 1]" 1
561 1 51 LYS H 1 52 LYS H 4.350 . 4.350 4.456 4.340 4.640 0.290 7 0 "[ . 1]" 1
562 1 51 LYS HA 1 51 LYS QD 3.460 . 3.460 2.386 2.142 3.903 0.443 9 0 "[ . 1]" 1
563 1 51 LYS HA 1 51 LYS QE 4.850 . 4.850 4.113 3.339 4.790 . 0 0 "[ . 1]" 1
564 1 51 LYS HA 1 51 LYS QG 3.640 . 3.640 2.716 2.307 2.994 . 0 0 "[ . 1]" 1
565 1 51 LYS HA 1 52 LYS H 3.410 . 3.410 2.537 2.175 2.715 . 0 0 "[ . 1]" 1
566 1 51 LYS QB 1 52 LYS H 3.210 . 3.210 2.328 1.887 3.614 0.404 8 0 "[ . 1]" 1
567 1 51 LYS QB 1 55 ASP QB 3.760 . 3.760 3.034 2.482 3.858 0.098 8 0 "[ . 1]" 1
568 1 51 LYS QD 1 52 LYS H 4.450 . 4.450 3.529 2.517 3.940 . 0 0 "[ . 1]" 1
569 1 51 LYS QD 1 55 ASP QB 4.310 . 4.310 3.529 2.116 4.219 . 0 0 "[ . 1]" 1
570 1 52 LYS H 1 52 LYS QB 3.320 . 3.320 2.615 2.416 3.050 . 0 0 "[ . 1]" 1
571 1 52 LYS H 1 52 LYS QG 4.040 . 4.040 2.914 2.142 4.110 0.070 9 0 "[ . 1]" 1
572 1 52 LYS H 1 55 ASP HB2 4.590 . 4.590 3.287 2.506 3.772 . 0 0 "[ . 1]" 1
573 1 52 LYS H 1 55 ASP QB 3.800 . 3.800 3.123 2.410 3.563 . 0 0 "[ . 1]" 1
574 1 52 LYS H 1 55 ASP HB3 4.590 . 4.590 3.908 3.130 4.415 . 0 0 "[ . 1]" 1
575 1 52 LYS H 1 74 LEU HG 4.800 . 4.800 4.619 4.306 5.059 0.259 10 0 "[ . 1]" 1
576 1 52 LYS HA 1 52 LYS QG 3.570 . 3.570 2.611 2.328 3.333 . 0 0 "[ . 1]" 1
577 1 52 LYS HA 1 53 VAL H 3.210 . 3.210 2.352 2.246 2.480 . 0 0 "[ . 1]" 1
578 1 52 LYS HA 1 53 VAL HA 4.490 . 4.490 4.296 4.266 4.329 . 0 0 "[ . 1]" 1
579 1 52 LYS HA 1 53 VAL HB 5.670 . 5.670 4.972 4.871 5.161 . 0 0 "[ . 1]" 1
580 1 52 LYS HA 1 83 PRO HG2 4.160 . 4.160 2.473 2.334 3.112 . 0 0 "[ . 1]" 1
581 1 52 LYS QB 1 52 LYS QE 4.540 . 4.540 3.433 2.167 3.899 . 0 0 "[ . 1]" 1
582 1 52 LYS QB 1 53 VAL H 4.280 . 4.280 2.546 2.270 3.310 . 0 0 "[ . 1]" 1
583 1 52 LYS QG 1 53 VAL H 4.560 . 4.560 3.824 1.926 4.478 . 0 0 "[ . 1]" 1
584 1 53 VAL H 1 53 VAL HB 3.560 . 3.560 2.625 2.577 2.685 . 0 0 "[ . 1]" 1
585 1 53 VAL H 1 53 VAL QG 3.120 . 3.120 1.911 1.862 1.968 . 0 0 "[ . 1]" 1
586 1 53 VAL H 1 74 LEU QB 5.330 . 5.330 4.692 4.436 4.997 . 0 0 "[ . 1]" 1
587 1 53 VAL H 1 83 PRO QB 4.510 . 4.510 3.996 3.756 4.399 . 0 0 "[ . 1]" 1
588 1 53 VAL H 1 83 PRO HG2 3.870 . 3.870 3.772 3.538 4.005 0.135 8 0 "[ . 1]" 1
589 1 53 VAL HA 1 53 VAL MG1 3.270 . 3.270 2.335 2.318 2.343 . 0 0 "[ . 1]" 1
590 1 53 VAL HA 1 53 VAL MG2 3.270 . 3.270 2.432 2.413 2.488 . 0 0 "[ . 1]" 1
591 1 53 VAL HA 1 54 GLY H 3.250 . 3.250 2.195 2.154 2.231 . 0 0 "[ . 1]" 1
592 1 53 VAL HA 1 54 GLY QA 4.380 . 4.380 3.998 3.966 4.017 . 0 0 "[ . 1]" 1
593 1 53 VAL HA 1 55 ASP H 4.630 . 4.630 3.339 3.197 3.627 . 0 0 "[ . 1]" 1
594 1 53 VAL HA 1 74 LEU H 5.130 . 5.130 4.995 4.562 5.269 0.139 3 0 "[ . 1]" 1
595 1 53 VAL HA 1 74 LEU QB 4.050 . 4.050 2.557 2.238 2.840 . 0 0 "[ . 1]" 1
596 1 53 VAL HA 1 75 THR HA 4.500 . 4.500 4.363 3.880 4.635 0.135 3 0 "[ . 1]" 1
597 1 53 VAL HA 1 83 PRO QB 3.830 . 3.830 2.996 2.796 3.300 . 0 0 "[ . 1]" 1
598 1 53 VAL HA 1 83 PRO HG2 4.480 . 4.480 4.536 4.226 4.789 0.309 8 0 "[ . 1]" 1
599 1 53 VAL HA 1 84 GLY H 5.820 . 5.820 5.263 4.805 5.733 . 0 0 "[ . 1]" 1
600 1 53 VAL QG 1 54 GLY H 3.300 . 3.300 2.455 2.313 2.570 . 0 0 "[ . 1]" 1
601 1 53 VAL QG 1 54 GLY QA 3.760 . 3.760 3.104 3.010 3.150 . 0 0 "[ . 1]" 1
602 1 53 VAL QG 1 55 ASP H 4.640 . 4.640 4.130 4.028 4.328 . 0 0 "[ . 1]" 1
603 1 53 VAL QG 1 75 THR HA 3.710 . 3.710 2.492 2.315 2.806 . 0 0 "[ . 1]" 1
604 1 53 VAL QG 1 76 ALA H 3.770 . 3.770 3.109 2.877 3.374 . 0 0 "[ . 1]" 1
605 1 53 VAL QG 1 76 ALA HA 3.440 . 3.440 3.363 2.991 3.777 0.337 5 0 "[ . 1]" 1
606 1 53 VAL QG 1 77 ILE H 5.350 . 5.350 4.910 4.540 5.403 0.053 5 0 "[ . 1]" 1
607 1 53 VAL QG 1 81 GLY QA 4.210 . 4.210 3.555 3.154 3.959 . 0 0 "[ . 1]" 1
608 1 53 VAL QG 1 83 PRO HA 3.260 . 3.260 2.694 2.351 3.024 . 0 0 "[ . 1]" 1
609 1 53 VAL QG 1 83 PRO QB 3.220 . 3.220 3.094 2.871 3.281 0.061 6 0 "[ . 1]" 1
610 1 53 VAL QG 1 83 PRO QD 3.630 . 3.630 2.847 2.378 3.085 . 0 0 "[ . 1]" 1
611 1 53 VAL QG 1 83 PRO HG2 4.220 . 4.220 3.588 3.514 3.684 . 0 0 "[ . 1]" 1
612 1 53 VAL QG 1 83 PRO HG3 4.710 . 4.710 2.181 2.098 2.261 . 0 0 "[ . 1]" 1
613 1 53 VAL QG 1 84 GLY H 4.760 . 4.760 4.185 3.768 4.585 . 0 0 "[ . 1]" 1
614 1 53 VAL MG1 1 76 ALA MB 3.290 . 3.290 3.102 2.670 3.336 0.046 5 0 "[ . 1]" 1
615 1 53 VAL MG2 1 76 ALA MB 3.290 . 3.290 3.084 2.653 3.290 0.000 5 0 "[ . 1]" 1
616 1 54 GLY H 1 73 LYS QG 4.400 . 4.400 3.872 3.319 4.707 0.307 10 0 "[ . 1]" 1
617 1 54 GLY H 1 74 LEU H 4.710 . 4.710 3.724 3.369 3.890 . 0 0 "[ . 1]" 1
618 1 54 GLY H 1 74 LEU HB2 4.660 . 4.660 2.685 2.297 3.107 . 0 0 "[ . 1]" 1
619 1 54 GLY H 1 74 LEU QB 3.830 . 3.830 2.562 2.221 2.898 . 0 0 "[ . 1]" 1
620 1 54 GLY H 1 74 LEU HB3 4.660 . 4.660 3.321 2.945 3.834 . 0 0 "[ . 1]" 1
621 1 54 GLY H 1 83 PRO HA 5.350 . 5.350 5.460 5.279 5.607 0.257 9 0 "[ . 1]" 1
622 1 54 GLY H 1 83 PRO QB 4.590 . 4.590 4.603 4.380 4.792 0.202 9 0 "[ . 1]" 1
623 1 54 GLY QA 1 73 LYS HA 5.230 . 5.230 5.000 4.622 5.321 0.091 9 0 "[ . 1]" 1
624 1 54 GLY QA 1 73 LYS QB 5.530 . 5.530 4.044 2.867 5.023 . 0 0 "[ . 1]" 1
625 1 54 GLY QA 1 73 LYS QD 5.610 . 5.610 3.181 2.337 4.098 . 0 0 "[ . 1]" 1
626 1 54 GLY QA 1 73 LYS QE 5.280 . 5.280 3.936 2.251 5.155 . 0 0 "[ . 1]" 1
627 1 54 GLY QA 1 73 LYS QG 3.980 . 3.980 3.006 2.336 3.588 . 0 0 "[ . 1]" 1
628 1 55 ASP H 1 55 ASP HB2 3.670 . 3.670 2.399 2.254 2.585 . 0 0 "[ . 1]" 1
629 1 55 ASP H 1 55 ASP QB 3.040 . 3.040 2.320 2.141 2.435 . 0 0 "[ . 1]" 1
630 1 55 ASP H 1 55 ASP HB3 3.670 . 3.670 3.293 2.527 3.597 . 0 0 "[ . 1]" 1
631 1 55 ASP H 1 73 LYS QG 5.150 . 5.150 4.667 3.738 5.503 0.353 8 0 "[ . 1]" 1
632 1 55 ASP H 1 74 LEU H 4.530 . 4.530 3.853 3.331 4.460 . 0 0 "[ . 1]" 1
633 1 55 ASP H 1 74 LEU QB 3.940 . 3.940 2.756 2.279 3.358 . 0 0 "[ . 1]" 1
634 1 55 ASP H 1 74 LEU QD 5.290 . 5.290 3.834 3.484 4.453 . 0 0 "[ . 1]" 1
635 1 55 ASP H 1 74 LEU HG 4.980 . 4.980 4.343 3.694 4.631 . 0 0 "[ . 1]" 1
636 1 55 ASP H 1 83 PRO QB 5.140 . 5.140 4.895 4.623 5.266 0.126 8 0 "[ . 1]" 1
637 1 55 ASP HA 1 56 THR H 3.110 . 3.110 2.434 2.226 2.773 . 0 0 "[ . 1]" 1
638 1 55 ASP QB 1 56 THR H 3.420 . 3.420 2.681 1.851 3.535 0.115 4 0 "[ . 1]" 1
639 1 55 ASP QB 1 57 VAL QG 4.500 . 4.500 4.100 3.156 4.774 0.274 1 0 "[ . 1]" 1
640 1 55 ASP QB 1 74 LEU QD 5.730 . 5.730 2.744 2.320 3.538 . 0 0 "[ . 1]" 1
641 1 55 ASP QB 1 74 LEU HG 3.920 . 3.920 3.008 2.477 3.499 . 0 0 "[ . 1]" 1
642 1 55 ASP HB2 1 74 LEU HG 4.620 . 4.620 3.452 2.502 4.780 0.160 10 0 "[ . 1]" 1
643 1 55 ASP HB3 1 74 LEU HG 4.620 . 4.620 4.031 3.059 4.681 0.061 3 0 "[ . 1]" 1
644 1 56 THR H 1 56 THR HB 3.940 . 3.940 3.254 2.565 3.873 . 0 0 "[ . 1]" 1
645 1 56 THR H 1 56 THR MG 3.960 . 3.960 3.004 2.276 3.976 0.016 2 0 "[ . 1]" 1
646 1 56 THR HA 1 56 THR MG 3.070 . 3.070 2.519 2.310 3.208 0.138 7 0 "[ . 1]" 1
647 1 56 THR HB 1 57 VAL H 3.610 . 3.610 3.504 2.753 4.047 0.437 8 0 "[ . 1]" 1
648 1 56 THR MG 1 57 VAL H 3.780 . 3.780 3.311 2.125 3.943 0.163 9 0 "[ . 1]" 1
649 1 56 THR MG 1 57 VAL HA 5.970 . 5.970 4.532 3.634 5.619 . 0 0 "[ . 1]" 1
650 1 57 VAL H 1 57 VAL HB 3.770 . 3.770 3.385 2.611 3.873 0.103 6 0 "[ . 1]" 1
651 1 57 VAL H 1 57 VAL MG1 3.020 . 3.020 2.683 2.154 3.078 0.058 7 0 "[ . 1]" 1
652 1 57 VAL HA 1 57 VAL MG1 3.730 . 3.730 2.858 2.319 3.231 . 0 0 "[ . 1]" 1
653 1 57 VAL HA 1 57 VAL QG 2.960 . 2.960 2.275 2.185 2.385 . 0 0 "[ . 1]" 1
654 1 57 VAL HA 1 57 VAL MG2 3.730 . 3.730 2.684 2.226 3.228 . 0 0 "[ . 1]" 1
655 1 57 VAL HA 1 58 LYS H 3.060 . 3.060 2.321 2.240 2.513 . 0 0 "[ . 1]" 1
656 1 57 VAL HB 1 58 LYS H 4.280 . 4.280 3.300 2.281 4.081 . 0 0 "[ . 1]" 1
657 1 57 VAL HB 1 74 LEU QD 4.540 . 4.540 3.089 2.168 4.214 . 0 0 "[ . 1]" 1
658 1 57 VAL QG 1 58 LYS H 3.920 . 3.920 2.449 1.870 3.160 . 0 0 "[ . 1]" 1
659 1 57 VAL QG 1 58 LYS HA 4.500 . 4.500 3.579 3.316 3.930 . 0 0 "[ . 1]" 1
660 1 57 VAL QG 1 59 ILE H 4.190 . 4.190 3.733 3.259 4.223 0.033 7 0 "[ . 1]" 1
661 1 57 VAL QG 1 59 ILE HB 4.180 . 4.180 3.777 2.977 4.197 0.017 1 0 "[ . 1]" 1
662 1 57 VAL QG 1 71 SER HA 3.880 . 3.880 3.511 3.135 3.816 . 0 0 "[ . 1]" 1
663 1 57 VAL QG 1 71 SER QB 4.210 . 4.210 4.177 4.017 4.372 0.162 2 0 "[ . 1]" 1
664 1 57 VAL QG 1 72 ILE H 4.170 . 4.170 2.468 1.846 2.918 . 0 0 "[ . 1]" 1
665 1 57 VAL QG 1 72 ILE MD 3.040 . 3.040 3.139 2.476 3.464 0.424 4 0 "[ . 1]" 1
666 1 57 VAL QG 1 74 LEU QD 2.840 . 2.840 2.108 1.798 2.553 0.002 6 0 "[ . 1]" 1
667 1 58 LYS H 1 58 LYS HB2 3.910 . 3.910 2.745 2.468 3.078 . 0 0 "[ . 1]" 1
668 1 58 LYS H 1 58 LYS HB3 3.910 . 3.910 3.299 2.561 3.796 . 0 0 "[ . 1]" 1
669 1 58 LYS H 1 58 LYS QG 4.670 . 4.670 3.337 2.527 4.058 . 0 0 "[ . 1]" 1
670 1 58 LYS HA 1 58 LYS QG 3.640 . 3.640 2.376 2.344 2.416 . 0 0 "[ . 1]" 1
671 1 58 LYS HA 1 59 ILE H 3.120 . 3.120 2.167 2.141 2.191 . 0 0 "[ . 1]" 1
672 1 58 LYS HA 1 59 ILE HB 4.460 . 4.460 4.463 4.297 4.741 0.281 4 0 "[ . 1]" 1
673 1 58 LYS HA 1 71 SER HA 3.650 . 3.650 2.852 2.438 3.336 . 0 0 "[ . 1]" 1
674 1 58 LYS HA 1 71 SER QB 4.880 . 4.880 3.361 2.549 4.155 . 0 0 "[ . 1]" 1
675 1 58 LYS HA 1 72 ILE H 5.310 . 5.310 4.324 4.014 4.728 . 0 0 "[ . 1]" 1
676 1 58 LYS QB 1 58 LYS QE 4.210 . 4.210 2.965 2.154 3.828 . 0 0 "[ . 1]" 1
677 1 58 LYS QB 1 71 SER QB 5.610 . 5.610 4.496 3.906 5.188 . 0 0 "[ . 1]" 1
678 1 58 LYS HB2 1 59 ILE H 4.960 . 4.960 4.376 4.283 4.472 . 0 0 "[ . 1]" 1
679 1 58 LYS HB3 1 59 ILE H 4.960 . 4.960 3.885 3.483 4.369 . 0 0 "[ . 1]" 1
680 1 59 ILE H 1 59 ILE HB 3.660 . 3.660 2.565 2.408 2.652 . 0 0 "[ . 1]" 1
681 1 59 ILE H 1 59 ILE QG 4.120 . 4.120 3.605 2.396 4.198 0.078 5 0 "[ . 1]" 1
682 1 59 ILE H 1 59 ILE MG 4.220 . 4.220 2.919 2.145 3.868 . 0 0 "[ . 1]" 1
683 1 59 ILE H 1 60 LYS H 5.280 . 5.280 4.530 4.435 4.574 . 0 0 "[ . 1]" 1
684 1 59 ILE H 1 69 GLU HA 5.720 . 5.720 5.080 4.717 5.402 . 0 0 "[ . 1]" 1
685 1 59 ILE H 1 69 GLU QB 5.480 . 5.480 5.206 4.496 5.971 0.491 10 0 "[ . 1]" 1
686 1 59 ILE H 1 70 ALA H 3.960 . 3.960 3.610 3.132 3.974 0.014 3 0 "[ . 1]" 1
687 1 59 ILE H 1 70 ALA MB 4.970 . 4.970 4.675 4.119 5.238 0.268 3 0 "[ . 1]" 1
688 1 59 ILE H 1 71 SER HA 4.180 . 4.180 3.142 2.785 3.502 . 0 0 "[ . 1]" 1
689 1 59 ILE HA 1 59 ILE MD 4.380 . 4.380 2.986 2.210 3.745 . 0 0 "[ . 1]" 1
690 1 59 ILE HA 1 59 ILE MG 3.340 . 3.340 2.930 2.344 3.246 . 0 0 "[ . 1]" 1
691 1 59 ILE HA 1 60 LYS H 3.190 . 3.190 2.192 2.135 2.229 . 0 0 "[ . 1]" 1
692 1 59 ILE HB 1 60 LYS H 4.610 . 4.610 4.174 3.925 4.351 . 0 0 "[ . 1]" 1
693 1 59 ILE HB 1 70 ALA H 4.890 . 4.890 4.052 2.990 4.995 0.105 6 0 "[ . 1]" 1
694 1 59 ILE HB 1 70 ALA MB 4.610 . 4.610 4.395 3.637 4.910 0.300 7 0 "[ . 1]" 1
695 1 59 ILE HB 1 71 SER HA 4.370 . 4.370 4.349 3.027 4.614 0.244 10 0 "[ . 1]" 1
696 1 59 ILE HB 1 72 ILE H 5.600 . 5.600 4.903 4.156 5.743 0.143 1 0 "[ . 1]" 1
697 1 59 ILE HB 1 72 ILE MD 3.870 . 3.870 3.020 2.229 3.747 . 0 0 "[ . 1]" 1
698 1 59 ILE MD 1 59 ILE MG 2.720 . 2.720 2.312 1.865 3.191 0.471 5 0 "[ . 1]" 1
699 1 59 ILE MD 1 61 TYR QD 4.680 . 4.680 3.911 2.666 4.973 0.293 4 0 "[ . 1]" 1
700 1 59 ILE QG 1 61 TYR QD 4.400 . 4.400 3.479 2.247 4.867 0.467 3 0 "[ . 1]" 1
701 1 59 ILE QG 1 70 ALA H 5.590 . 5.590 4.915 4.481 5.475 . 0 0 "[ . 1]" 1
702 1 59 ILE MG 1 60 LYS H 3.520 . 3.520 3.072 2.343 3.660 0.140 6 0 "[ . 1]" 1
703 1 59 ILE MG 1 61 TYR HA 5.300 . 5.300 5.096 4.290 5.620 0.320 9 0 "[ . 1]" 1
704 1 59 ILE MG 1 61 TYR QD 3.560 . 3.560 2.168 2.037 2.255 . 0 0 "[ . 1]" 1
705 1 59 ILE MG 1 61 TYR QE 4.200 . 4.200 3.017 2.210 3.926 . 0 0 "[ . 1]" 1
706 1 59 ILE MG 1 69 GLU HA 5.000 . 5.000 3.567 2.650 4.797 . 0 0 "[ . 1]" 1
707 1 59 ILE MG 1 70 ALA H 4.370 . 4.370 2.771 1.715 4.448 0.085 8 0 "[ . 1]" 1
708 1 59 ILE MG 1 72 ILE H 5.990 . 5.990 5.287 4.650 6.483 0.493 1 0 "[ . 1]" 1
709 1 60 LYS H 1 60 LYS QG 4.950 . 4.950 3.945 2.165 4.272 . 0 0 "[ . 1]" 1
710 1 60 LYS HA 1 60 LYS HG2 4.040 . 4.040 3.405 2.956 3.741 . 0 0 "[ . 1]" 1
711 1 60 LYS HA 1 60 LYS QG 3.500 . 3.500 2.538 2.328 3.315 . 0 0 "[ . 1]" 1
712 1 60 LYS HA 1 60 LYS HG3 4.040 . 4.040 2.647 2.422 3.772 . 0 0 "[ . 1]" 1
713 1 60 LYS HA 1 61 TYR H 3.100 . 3.100 2.163 2.120 2.219 . 0 0 "[ . 1]" 1
714 1 60 LYS HA 1 61 TYR HA 4.490 . 4.490 4.443 4.409 4.460 . 0 0 "[ . 1]" 1
715 1 60 LYS HA 1 61 TYR QD 4.200 . 4.200 3.921 3.372 4.121 . 0 0 "[ . 1]" 1
716 1 60 LYS HA 1 61 TYR QE 5.730 . 5.730 5.291 4.902 5.524 . 0 0 "[ . 1]" 1
717 1 60 LYS HA 1 69 GLU HA 3.570 . 3.570 3.246 2.682 3.766 0.196 5 0 "[ . 1]" 1
718 1 60 LYS HA 1 69 GLU QB 3.960 . 3.960 3.396 2.628 3.887 . 0 0 "[ . 1]" 1
719 1 60 LYS HA 1 69 GLU QG 5.560 . 5.560 4.301 3.212 5.665 0.105 6 0 "[ . 1]" 1
720 1 60 LYS HA 1 70 ALA H 4.650 . 4.650 4.453 3.881 4.945 0.295 5 0 "[ . 1]" 1
721 1 60 LYS QB 1 61 TYR H 4.390 . 4.390 3.852 3.411 3.949 . 0 0 "[ . 1]" 1
722 1 60 LYS QE 1 60 LYS QG 3.320 . 3.320 2.266 2.130 2.420 . 0 0 "[ . 1]" 1
723 1 60 LYS QG 1 61 TYR H 4.430 . 4.430 3.242 2.960 4.471 0.041 3 0 "[ . 1]" 1
724 1 60 LYS QG 1 61 TYR HA 4.820 . 4.820 4.002 3.649 4.572 . 0 0 "[ . 1]" 1
725 1 61 TYR H 1 61 TYR HB2 4.200 . 4.200 3.918 3.844 3.970 . 0 0 "[ . 1]" 1
726 1 61 TYR H 1 61 TYR QD 3.640 . 3.640 2.987 2.330 3.138 . 0 0 "[ . 1]" 1
727 1 61 TYR H 1 69 GLU HA 4.070 . 4.070 3.675 3.162 4.081 0.011 2 0 "[ . 1]" 1
728 1 61 TYR HA 1 62 LYS H 3.510 . 3.510 2.351 2.295 2.433 . 0 0 "[ . 1]" 1
729 1 61 TYR HB2 1 61 TYR QD 3.100 . 3.100 2.501 2.422 2.541 . 0 0 "[ . 1]" 1
730 1 61 TYR HB2 1 62 LYS H 3.980 . 3.980 2.708 2.516 2.939 . 0 0 "[ . 1]" 1
731 1 61 TYR QD 1 69 GLU HA 4.420 . 4.420 4.066 3.366 4.574 0.154 9 0 "[ . 1]" 1
732 1 61 TYR QD 1 70 ALA MB 5.180 . 5.180 4.681 4.117 5.110 . 0 0 "[ . 1]" 1
733 1 61 TYR QE 1 63 HIS H 5.270 . 5.270 3.905 3.407 4.694 . 0 0 "[ . 1]" 1
734 1 61 TYR QE 1 63 HIS HA 6.000 . 6.000 4.849 4.416 5.785 . 0 0 "[ . 1]" 1
735 1 61 TYR QE 1 63 HIS QB 3.660 . 3.660 2.557 2.271 3.393 . 0 0 "[ . 1]" 1
736 1 61 TYR QE 1 68 GLU QB 3.910 . 3.910 2.811 2.419 3.178 . 0 0 "[ . 1]" 1
737 1 61 TYR QE 1 68 GLU QG 4.450 . 4.450 3.937 3.480 4.508 0.058 7 0 "[ . 1]" 1
738 1 61 TYR QE 1 69 GLU HA 4.170 . 4.170 3.801 3.253 4.211 0.041 9 0 "[ . 1]" 1
739 1 61 TYR QE 1 70 ALA H 4.110 . 4.110 3.720 2.980 4.162 0.052 9 0 "[ . 1]" 1
740 1 61 TYR QE 1 70 ALA MB 3.220 . 3.220 3.124 2.316 3.398 0.178 7 0 "[ . 1]" 1
741 1 63 HIS H 1 63 HIS HB2 4.100 . 4.100 2.935 2.729 3.150 . 0 0 "[ . 1]" 1
742 1 63 HIS H 1 63 HIS QB 3.550 . 3.550 2.434 2.332 2.596 . 0 0 "[ . 1]" 1
743 1 63 HIS H 1 63 HIS HB3 4.100 . 4.100 2.601 2.517 2.764 . 0 0 "[ . 1]" 1
744 1 63 HIS HA 1 64 GLY H 3.220 . 3.220 2.176 2.128 2.213 . 0 0 "[ . 1]" 1
745 1 63 HIS QB 1 68 GLU QB 5.240 . 5.240 4.308 3.507 5.051 . 0 0 "[ . 1]" 1
746 1 63 HIS QB 1 68 GLU QG 4.240 . 4.240 3.959 3.016 4.453 0.213 8 0 "[ . 1]" 1
747 1 64 GLY QA 1 65 ASN H 2.930 . 2.930 2.148 2.129 2.161 . 0 0 "[ . 1]" 1
748 1 64 GLY QA 1 66 LYS H 4.360 . 4.360 3.463 3.247 3.539 . 0 0 "[ . 1]" 1
749 1 65 ASN H 1 65 ASN QB 3.450 . 3.450 2.587 2.454 2.890 . 0 0 "[ . 1]" 1
750 1 65 ASN H 1 66 LYS H 3.200 . 3.200 2.155 1.943 2.355 . 0 0 "[ . 1]" 1
751 1 65 ASN H 1 66 LYS QE 6.000 . 6.000 5.090 4.419 6.173 0.173 7 0 "[ . 1]" 1
752 1 65 ASN QB 1 66 LYS H 4.280 . 4.280 3.471 2.974 3.864 . 0 0 "[ . 1]" 1
753 1 66 LYS H 1 66 LYS QB 3.630 . 3.630 2.843 2.509 3.079 . 0 0 "[ . 1]" 1
754 1 66 LYS H 1 66 LYS QG 4.360 . 4.360 2.363 1.864 4.112 . 0 0 "[ . 1]" 1
755 1 66 LYS HA 1 67 ASN H 2.910 . 2.910 2.144 2.123 2.177 . 0 0 "[ . 1]" 1
756 1 66 LYS QB 1 67 ASN H 3.950 . 3.950 3.370 3.104 3.883 . 0 0 "[ . 1]" 1
757 1 66 LYS QG 1 67 ASN H 4.570 . 4.570 3.999 2.968 4.371 . 0 0 "[ . 1]" 1
758 1 67 ASN H 1 67 ASN QB 3.260 . 3.260 2.495 2.302 2.788 . 0 0 "[ . 1]" 1
759 1 67 ASN H 1 68 GLU H 4.210 . 4.210 4.470 4.399 4.516 0.306 8 0 "[ . 1]" 1
760 1 67 ASN HA 1 68 GLU H 3.240 . 3.240 2.140 2.085 2.202 . 0 0 "[ . 1]" 1
761 1 67 ASN HA 1 68 GLU QG 4.930 . 4.930 3.626 3.426 3.758 . 0 0 "[ . 1]" 1
762 1 68 GLU H 1 68 GLU QG 3.940 . 3.940 2.858 2.698 2.921 . 0 0 "[ . 1]" 1
763 1 68 GLU HA 1 68 GLU QG 3.640 . 3.640 2.606 2.382 2.977 . 0 0 "[ . 1]" 1
764 1 68 GLU HA 1 69 GLU H 3.230 . 3.230 2.270 2.162 2.411 . 0 0 "[ . 1]" 1
765 1 68 GLU QB 1 69 GLU H 3.830 . 3.830 2.721 2.370 2.994 . 0 0 "[ . 1]" 1
766 1 68 GLU QG 1 69 GLU H 4.780 . 4.780 4.184 3.865 4.637 . 0 0 "[ . 1]" 1
767 1 69 GLU HA 1 69 GLU QG 3.630 . 3.630 2.920 2.383 3.532 . 0 0 "[ . 1]" 1
768 1 69 GLU HA 1 70 ALA H 3.120 . 3.120 2.146 2.134 2.169 . 0 0 "[ . 1]" 1
769 1 69 GLU HA 1 70 ALA HA 5.010 . 5.010 4.476 4.460 4.506 . 0 0 "[ . 1]" 1
770 1 69 GLU HA 1 70 ALA MB 4.160 . 4.160 3.890 3.810 3.951 . 0 0 "[ . 1]" 1
771 1 69 GLU QB 1 70 ALA H 4.000 . 4.000 3.333 2.922 3.733 . 0 0 "[ . 1]" 1
772 1 69 GLU QG 1 70 ALA H 4.000 . 4.000 3.318 2.494 4.160 0.160 3 0 "[ . 1]" 1
773 1 69 GLU QG 1 70 ALA HA 4.750 . 4.750 3.866 3.523 4.142 . 0 0 "[ . 1]" 1
774 1 69 GLU QG 1 70 ALA MB 4.660 . 4.660 4.437 4.209 4.678 0.018 7 0 "[ . 1]" 1
775 1 70 ALA H 1 70 ALA MB 3.550 . 3.550 2.645 2.565 2.727 . 0 0 "[ . 1]" 1
776 1 70 ALA H 1 71 SER H 4.770 . 4.770 4.317 4.133 4.398 . 0 0 "[ . 1]" 1
777 1 70 ALA HA 1 71 SER H 3.030 . 3.030 2.216 2.133 2.323 . 0 0 "[ . 1]" 1
778 1 70 ALA HA 1 71 SER QB 4.730 . 4.730 4.310 3.967 4.577 . 0 0 "[ . 1]" 1
779 1 70 ALA MB 1 71 SER H 3.380 . 3.380 2.741 2.406 3.129 . 0 0 "[ . 1]" 1
780 1 70 ALA MB 1 71 SER HA 4.280 . 4.280 4.213 4.033 4.357 0.077 3 0 "[ . 1]" 1
781 1 71 SER H 1 71 SER HB2 3.840 . 3.840 3.171 2.533 3.840 . 0 0 "[ . 1]" 1
782 1 71 SER H 1 71 SER HB3 3.840 . 3.840 3.165 2.321 3.799 . 0 0 "[ . 1]" 1
783 1 71 SER H 1 72 ILE H 5.150 . 5.150 4.490 4.381 4.609 . 0 0 "[ . 1]" 1
784 1 71 SER HA 1 72 ILE H 3.150 . 3.150 2.194 2.179 2.254 . 0 0 "[ . 1]" 1
785 1 71 SER QB 1 72 ILE H 3.920 . 3.920 3.170 2.951 3.671 . 0 0 "[ . 1]" 1
786 1 71 SER HB2 1 72 ILE H 4.460 . 4.460 3.688 3.082 4.141 . 0 0 "[ . 1]" 1
787 1 71 SER HB3 1 72 ILE H 4.460 . 4.460 3.760 3.039 4.286 . 0 0 "[ . 1]" 1
788 1 72 ILE H 1 72 ILE HB 3.660 . 3.660 3.271 2.716 3.778 0.118 2 0 "[ . 1]" 1
789 1 72 ILE H 1 72 ILE MD 4.620 . 4.620 2.915 1.984 3.967 . 0 0 "[ . 1]" 1
790 1 72 ILE H 1 72 ILE QG . . 3.980 2.596 2.169 3.362 . 0 0 "[ . 1]" 1
791 1 72 ILE HA 1 72 ILE MD 4.150 . 4.150 3.653 2.990 4.189 0.039 2 0 "[ . 1]" 1
792 1 72 ILE HA 1 72 ILE QG 3.680 . 3.680 3.032 2.484 3.537 . 0 0 "[ . 1]" 1
793 1 72 ILE HA 1 72 ILE MG 3.210 . 3.210 2.283 2.192 2.345 . 0 0 "[ . 1]" 1
794 1 72 ILE HA 1 73 LYS H 2.930 . 2.930 2.212 2.155 2.288 . 0 0 "[ . 1]" 1
795 1 72 ILE HA 1 73 LYS QB 4.850 . 4.850 4.090 3.979 4.236 . 0 0 "[ . 1]" 1
796 1 72 ILE HB 1 72 ILE MD 3.100 . 3.100 2.694 2.281 3.291 0.191 6 0 "[ . 1]" 1
797 1 72 ILE HB 1 73 LYS H 4.980 . 4.980 3.479 2.796 4.262 . 0 0 "[ . 1]" 1
798 1 72 ILE MD 1 73 LYS HA 6.000 . 6.000 6.069 5.537 6.486 0.486 5 0 "[ . 1]" 1
799 1 72 ILE MG 1 73 LYS H 3.480 . 3.480 2.963 2.424 3.527 0.047 2 0 "[ . 1]" 1
800 1 72 ILE MG 1 73 LYS HA 5.050 . 5.050 4.818 4.128 5.531 0.481 6 0 "[ . 1]" 1
801 1 73 LYS H 1 73 LYS QB 3.150 . 3.150 2.301 2.175 2.545 . 0 0 "[ . 1]" 1
802 1 73 LYS H 1 73 LYS QG 4.440 . 4.440 3.377 2.252 3.980 . 0 0 "[ . 1]" 1
803 1 73 LYS H 1 74 LEU H 5.160 . 5.160 4.573 4.523 4.673 . 0 0 "[ . 1]" 1
804 1 73 LYS HA 1 73 LYS QD 4.210 . 4.210 4.120 3.949 4.502 0.292 8 0 "[ . 1]" 1
805 1 73 LYS HA 1 73 LYS QG 3.560 . 3.560 2.654 2.275 3.335 . 0 0 "[ . 1]" 1
806 1 73 LYS HA 1 74 LEU H 3.210 . 3.210 2.223 2.173 2.305 . 0 0 "[ . 1]" 1
807 1 73 LYS QB 1 74 LEU H 4.430 . 4.430 3.434 3.035 3.703 . 0 0 "[ . 1]" 1
808 1 73 LYS QG 1 74 LEU H 3.700 . 3.700 2.978 2.461 3.723 0.023 2 0 "[ . 1]" 1
809 1 74 LEU H 1 74 LEU QB 3.480 . 3.480 2.212 2.156 2.264 . 0 0 "[ . 1]" 1
810 1 74 LEU H 1 74 LEU QD 3.570 . 3.570 2.002 1.837 2.217 . 0 0 "[ . 1]" 1
811 1 74 LEU H 1 74 LEU HG 4.060 . 4.060 3.828 3.708 3.966 . 0 0 "[ . 1]" 1
812 1 74 LEU H 1 75 THR H 5.550 . 5.550 4.614 4.592 4.644 . 0 0 "[ . 1]" 1
813 1 74 LEU H 1 75 THR MG 4.900 . 4.900 4.423 4.292 4.600 . 0 0 "[ . 1]" 1
814 1 74 LEU HA 1 74 LEU QD 3.160 . 3.160 2.080 2.022 2.142 . 0 0 "[ . 1]" 1
815 1 74 LEU HA 1 75 THR H 3.090 . 3.090 2.227 2.179 2.289 . 0 0 "[ . 1]" 1
816 1 74 LEU QB 1 75 THR H 4.010 . 4.010 2.892 2.757 3.009 . 0 0 "[ . 1]" 1
817 1 74 LEU QB 1 83 PRO HA 4.830 . 4.830 3.240 2.931 3.552 . 0 0 "[ . 1]" 1
818 1 74 LEU QB 1 83 PRO QB 3.200 . 3.200 2.282 2.197 2.379 . 0 0 "[ . 1]" 1
819 1 74 LEU QB 1 84 GLY H 4.260 . 4.260 3.558 2.839 4.354 0.094 9 0 "[ . 1]" 1
820 1 74 LEU QD 1 75 THR H 3.950 . 3.950 2.912 2.627 3.168 . 0 0 "[ . 1]" 1
821 1 74 LEU QD 1 83 PRO HA 4.140 . 4.140 3.372 3.178 3.693 . 0 0 "[ . 1]" 1
822 1 74 LEU QD 1 83 PRO QB 3.530 . 3.530 2.505 2.111 2.823 . 0 0 "[ . 1]" 1
823 1 74 LEU QD 1 85 ILE HA 4.990 . 4.990 4.282 2.981 5.169 0.179 8 0 "[ . 1]" 1
824 1 74 LEU HG 1 83 PRO HA 5.030 . 5.030 4.918 4.640 5.141 0.111 6 0 "[ . 1]" 1
825 1 74 LEU HG 1 83 PRO QB 3.190 . 3.190 2.857 2.733 3.048 . 0 0 "[ . 1]" 1
826 1 74 LEU HG 1 83 PRO HG2 4.850 . 4.850 4.868 4.515 5.116 0.266 5 0 "[ . 1]" 1
827 1 75 THR H 1 75 THR MG 3.550 . 3.550 2.851 2.712 2.952 . 0 0 "[ . 1]" 1
828 1 75 THR H 1 77 ILE MG 4.940 . 4.940 4.337 3.972 4.742 . 0 0 "[ . 1]" 1
829 1 75 THR H 1 83 PRO HA 4.020 . 4.020 3.757 3.555 3.930 . 0 0 "[ . 1]" 1
830 1 75 THR H 1 83 PRO QB 4.640 . 4.640 4.327 4.111 4.700 0.060 8 0 "[ . 1]" 1
831 1 75 THR H 1 84 GLY H 3.870 . 3.870 2.651 2.310 3.231 . 0 0 "[ . 1]" 1
832 1 75 THR H 1 85 ILE MG 6.000 . 6.000 4.572 3.797 5.734 . 0 0 "[ . 1]" 1
833 1 75 THR HA 1 75 THR MG 3.200 . 3.200 2.419 2.344 2.502 . 0 0 "[ . 1]" 1
834 1 75 THR HA 1 76 ALA H 3.360 . 3.360 2.351 2.261 2.434 . 0 0 "[ . 1]" 1
835 1 75 THR HB 1 76 ALA H 3.410 . 3.410 2.496 2.263 2.635 . 0 0 "[ . 1]" 1
836 1 75 THR HB 1 76 ALA MB 4.740 . 4.740 4.183 4.055 4.282 . 0 0 "[ . 1]" 1
837 1 75 THR MG 1 76 ALA H 4.330 . 4.330 3.821 3.714 3.914 . 0 0 "[ . 1]" 1
838 1 76 ALA H 1 76 ALA MB 3.100 . 3.100 2.259 2.216 2.292 . 0 0 "[ . 1]" 1
839 1 76 ALA HA 1 77 ILE H 3.210 . 3.210 2.192 2.140 2.231 . 0 0 "[ . 1]" 1
840 1 76 ALA HA 1 78 ASP H 4.120 . 4.120 3.946 3.521 4.340 0.220 6 0 "[ . 1]" 1
841 1 76 ALA HA 1 82 THR MG 5.460 . 5.460 5.472 5.304 5.660 0.200 9 0 "[ . 1]" 1
842 1 76 ALA HA 1 83 PRO HA 4.140 . 4.140 3.529 3.283 3.718 . 0 0 "[ . 1]" 1
843 1 76 ALA HA 1 83 PRO QD 5.040 . 5.040 5.037 4.893 5.109 0.069 1 0 "[ . 1]" 1
844 1 76 ALA HA 1 84 GLY H 4.550 . 4.550 4.000 3.640 4.466 . 0 0 "[ . 1]" 1
845 1 76 ALA MB 1 78 ASP H 3.890 . 3.890 3.941 3.419 4.239 0.349 1 0 "[ . 1]" 1
846 1 76 ALA MB 1 81 GLY H 4.000 . 4.000 3.968 3.704 4.066 0.066 7 0 "[ . 1]" 1
847 1 76 ALA MB 1 81 GLY HA2 3.610 . 3.610 2.352 2.291 2.423 . 0 0 "[ . 1]" 1
848 1 76 ALA MB 1 81 GLY QA 3.110 . 3.110 2.318 2.263 2.385 . 0 0 "[ . 1]" 1
849 1 76 ALA MB 1 81 GLY HA3 3.610 . 3.610 3.527 3.378 3.699 0.089 6 0 "[ . 1]" 1
850 1 76 ALA MB 1 82 THR H 4.320 . 4.320 4.225 3.978 4.386 0.066 9 0 "[ . 1]" 1
851 1 76 ALA MB 1 83 PRO HA 4.800 . 4.800 4.672 4.425 4.872 0.072 7 0 "[ . 1]" 1
852 1 77 ILE H 1 77 ILE HB 4.060 . 4.060 3.766 3.591 3.962 . 0 0 "[ . 1]" 1
853 1 77 ILE H 1 77 ILE MD 3.690 . 3.690 2.674 1.654 3.771 0.146 8 0 "[ . 1]" 1
854 1 77 ILE H 1 77 ILE QG 3.410 . 3.410 2.588 1.864 3.309 . 0 0 "[ . 1]" 1
855 1 77 ILE H 1 77 ILE MG 3.220 . 3.220 2.848 2.365 3.338 0.118 6 0 "[ . 1]" 1
856 1 77 ILE H 1 78 ASP H 3.270 . 3.270 2.062 1.733 2.380 0.067 9 0 "[ . 1]" 1
857 1 77 ILE H 1 83 PRO HA 5.490 . 5.490 4.760 4.345 5.099 . 0 0 "[ . 1]" 1
858 1 77 ILE HA 1 77 ILE QG 3.620 . 3.620 3.444 3.301 3.558 . 0 0 "[ . 1]" 1
859 1 77 ILE HA 1 77 ILE MG 2.950 . 2.950 2.360 2.256 2.473 . 0 0 "[ . 1]" 1
860 1 77 ILE HB 1 78 ASP H 4.620 . 4.620 3.683 3.019 4.336 . 0 0 "[ . 1]" 1
861 1 77 ILE HB 1 84 GLY QA 5.590 . 5.590 5.214 4.267 5.839 0.249 5 0 "[ . 1]" 1
862 1 77 ILE MD 1 78 ASP H 4.580 . 4.580 2.611 1.724 3.647 0.076 9 0 "[ . 1]" 1
863 1 77 ILE MD 1 78 ASP HB2 4.440 . 4.440 3.472 2.823 4.825 0.385 1 0 "[ . 1]" 1
864 1 77 ILE MD 1 78 ASP QB 3.670 . 3.670 3.217 2.778 3.766 0.096 6 0 "[ . 1]" 1
865 1 77 ILE MD 1 78 ASP HB3 4.440 . 4.440 4.273 3.345 4.873 0.433 6 0 "[ . 1]" 1
866 1 77 ILE MD 1 83 PRO HA 4.330 . 4.330 4.296 3.611 4.798 0.468 6 0 "[ . 1]" 1
867 1 77 ILE MD 1 84 GLY QA 3.570 . 3.570 2.489 2.125 2.862 . 0 0 "[ . 1]" 1
868 1 77 ILE QG 1 77 ILE MG 2.990 . 2.990 2.306 2.240 2.489 . 0 0 "[ . 1]" 1
869 1 77 ILE QG 1 82 THR HB 4.590 . 4.590 3.594 2.656 4.653 0.063 9 0 "[ . 1]" 1
870 1 77 ILE QG 1 84 GLY QA 4.030 . 4.030 3.393 2.366 4.090 0.060 7 0 "[ . 1]" 1
871 1 77 ILE MG 1 78 ASP H 4.380 . 4.380 3.927 3.751 4.034 . 0 0 "[ . 1]" 1
872 1 77 ILE MG 1 78 ASP QB 5.500 . 5.500 5.201 4.876 5.475 . 0 0 "[ . 1]" 1
873 1 77 ILE MG 1 84 GLY QA 3.380 . 3.380 3.164 2.256 3.806 0.426 1 0 "[ . 1]" 1
874 1 77 ILE MG 1 85 ILE H 4.430 . 4.430 3.864 3.336 4.408 . 0 0 "[ . 1]" 1
875 1 78 ASP H 1 82 THR H 4.380 . 4.380 3.167 2.866 3.439 . 0 0 "[ . 1]" 1
876 1 78 ASP H 1 82 THR HB 4.650 . 4.650 3.703 3.232 4.015 . 0 0 "[ . 1]" 1
877 1 78 ASP HA 1 79 LYS H 3.550 . 3.550 2.283 2.192 2.416 . 0 0 "[ . 1]" 1
878 1 78 ASP QB 1 79 LYS H 3.440 . 3.440 2.814 2.337 3.342 . 0 0 "[ . 1]" 1
879 1 78 ASP QB 1 80 LYS H 3.970 . 3.970 2.689 2.455 3.015 . 0 0 "[ . 1]" 1
880 1 78 ASP QB 1 81 GLY H 5.470 . 5.470 3.614 2.933 4.559 . 0 0 "[ . 1]" 1
881 1 78 ASP HB2 1 79 LYS H 4.320 . 4.320 3.693 2.512 4.022 . 0 0 "[ . 1]" 1
882 1 78 ASP HB2 1 80 LYS H 4.710 . 4.710 3.472 2.750 4.346 . 0 0 "[ . 1]" 1
883 1 78 ASP HB3 1 79 LYS H 4.320 . 4.320 3.057 2.371 3.816 . 0 0 "[ . 1]" 1
884 1 78 ASP HB3 1 80 LYS H 4.710 . 4.710 2.948 2.598 4.440 . 0 0 "[ . 1]" 1
885 1 79 LYS H 1 79 LYS QB 3.520 . 3.520 2.472 2.398 2.624 . 0 0 "[ . 1]" 1
886 1 79 LYS H 1 79 LYS QG 3.810 . 3.810 1.945 1.813 2.029 . 0 0 "[ . 1]" 1
887 1 79 LYS H 1 80 LYS H 3.730 . 3.730 2.826 2.713 2.918 . 0 0 "[ . 1]" 1
888 1 79 LYS HA 1 79 LYS QG 3.590 . 3.590 3.240 3.003 3.342 . 0 0 "[ . 1]" 1
889 1 79 LYS QB 1 79 LYS QE 4.520 . 4.520 3.370 2.196 3.740 . 0 0 "[ . 1]" 1
890 1 79 LYS QD 1 79 LYS QG 2.330 . 2.330 2.098 2.030 2.122 . 0 0 "[ . 1]" 1
891 1 80 LYS H 1 80 LYS QB 3.190 . 3.190 2.630 2.211 2.876 . 0 0 "[ . 1]" 1
892 1 80 LYS H 1 80 LYS QD 4.720 . 4.720 4.022 3.622 4.852 0.132 1 0 "[ . 1]" 1
893 1 80 LYS H 1 80 LYS QG 3.650 . 3.650 2.157 1.751 3.916 0.266 1 0 "[ . 1]" 1
894 1 80 LYS H 1 82 THR H 4.520 . 4.520 3.974 3.737 4.143 . 0 0 "[ . 1]" 1
895 1 80 LYS HA 1 80 LYS QD 4.700 . 4.700 4.223 3.918 4.551 . 0 0 "[ . 1]" 1
896 1 80 LYS HA 1 80 LYS QG 3.300 . 3.300 2.935 2.311 3.337 0.037 9 0 "[ . 1]" 1
897 1 80 LYS QB 1 81 GLY H 4.070 . 4.070 3.673 3.051 3.992 . 0 0 "[ . 1]" 1
898 1 80 LYS QB 1 82 THR H 4.340 . 4.340 3.912 3.088 4.432 0.092 8 0 "[ . 1]" 1
899 1 80 LYS QE 1 80 LYS QG 3.470 . 3.470 2.442 2.159 2.924 . 0 0 "[ . 1]" 1
900 1 81 GLY H 1 82 THR H 3.330 . 3.330 2.746 2.446 2.961 . 0 0 "[ . 1]" 1
901 1 82 THR H 1 82 THR HB 3.730 . 3.730 2.437 2.329 2.542 . 0 0 "[ . 1]" 1
902 1 82 THR H 1 82 THR MG 3.990 . 3.990 3.786 3.762 3.807 . 0 0 "[ . 1]" 1
903 1 82 THR HA 1 82 THR MG 2.980 . 2.980 2.401 2.343 2.520 . 0 0 "[ . 1]" 1
904 1 82 THR MG 1 83 PRO HA 4.250 . 4.250 4.317 4.278 4.390 0.140 10 0 "[ . 1]" 1
905 1 82 THR MG 1 83 PRO QD 3.680 . 3.680 2.437 2.302 2.551 . 0 0 "[ . 1]" 1
906 1 82 THR MG 1 83 PRO HG2 4.350 . 4.350 4.424 4.226 4.529 0.179 1 0 "[ . 1]" 1
907 1 83 PRO HA 1 84 GLY H 3.240 . 3.240 2.186 2.149 2.226 . 0 0 "[ . 1]" 1
908 1 83 PRO QB 1 84 GLY H 3.950 . 3.950 3.404 3.267 3.605 . 0 0 "[ . 1]" 1
909 1 84 GLY QA 1 85 ILE QG 4.710 . 4.710 3.428 3.030 3.744 . 0 0 "[ . 1]" 1
910 1 85 ILE H 1 85 ILE MD 4.270 . 4.270 3.190 2.021 4.360 0.090 9 0 "[ . 1]" 1
911 1 85 ILE H 1 85 ILE QG . . 3.630 2.012 1.805 2.703 . 0 0 "[ . 1]" 1
912 1 85 ILE H 1 85 ILE MG 4.710 . 4.710 3.478 2.629 4.024 . 0 0 "[ . 1]" 1
913 1 85 ILE HA 1 85 ILE MD 4.660 . 4.660 3.659 2.209 4.204 . 0 0 "[ . 1]" 1
914 1 85 ILE HA 1 85 ILE MG 3.320 . 3.320 2.293 2.190 2.436 . 0 0 "[ . 1]" 1
915 1 85 ILE HA 1 87 ILE MG 5.700 . 5.700 4.946 4.529 5.802 0.102 6 0 "[ . 1]" 1
916 1 85 ILE HB 1 85 ILE MD 3.400 . 3.400 2.696 2.312 3.251 . 0 0 "[ . 1]" 1
917 1 85 ILE HB 1 87 ILE H 4.840 . 4.840 4.120 3.109 4.928 0.088 10 0 "[ . 1]" 1
918 1 85 ILE QG 1 85 ILE MG . . 3.020 2.365 2.276 2.550 . 0 0 "[ . 1]" 1
919 1 85 ILE QG 1 87 ILE H 5.500 . 5.500 4.439 3.415 5.558 0.058 6 0 "[ . 1]" 1
920 1 85 ILE MG 1 86 GLY H 4.080 . 4.080 3.638 3.029 4.424 0.344 10 0 "[ . 1]" 1
921 1 86 GLY H 1 87 ILE H 3.580 . 3.580 3.082 1.966 3.886 0.306 1 0 "[ . 1]" 1
922 1 86 GLY QA 1 87 ILE MG 4.630 . 4.630 3.640 3.420 3.904 . 0 0 "[ . 1]" 1
923 1 87 ILE H 1 87 ILE QG 3.940 . 3.940 2.482 2.088 3.500 . 0 0 "[ . 1]" 1
924 1 87 ILE H 1 87 ILE MG 3.940 . 3.940 3.079 2.524 3.544 . 0 0 "[ . 1]" 1
925 1 87 ILE HA 1 87 ILE MD 4.510 . 4.510 3.967 3.482 4.174 . 0 0 "[ . 1]" 1
926 1 87 ILE HA 1 87 ILE QG 3.630 . 3.630 3.393 3.322 3.554 . 0 0 "[ . 1]" 1
927 1 87 ILE HA 1 87 ILE MG 3.340 . 3.340 2.349 2.262 2.507 . 0 0 "[ . 1]" 1
928 1 87 ILE HA 1 88 THR H 3.340 . 3.340 2.376 2.303 2.502 . 0 0 "[ . 1]" 1
929 1 87 ILE HB 1 87 ILE MD 3.500 . 3.500 2.435 2.311 3.246 . 0 0 "[ . 1]" 1
930 1 87 ILE HB 1 88 THR H 3.600 . 3.600 2.395 2.179 2.511 . 0 0 "[ . 1]" 1
931 1 87 ILE MD 1 88 THR H 3.970 . 3.970 3.980 3.500 4.266 0.296 10 0 "[ . 1]" 1
932 1 87 ILE MD 1 88 THR HB 6.000 . 6.000 6.005 5.296 6.423 0.423 10 0 "[ . 1]" 1
933 1 87 ILE MD 1 89 LEU H 4.980 . 4.980 4.857 4.029 5.126 0.146 8 0 "[ . 1]" 1
934 1 87 ILE QG 1 88 THR H 4.350 . 4.350 3.656 3.109 4.385 0.035 6 0 "[ . 1]" 1
935 1 87 ILE MG 1 88 THR H 4.150 . 4.150 3.599 3.180 3.844 . 0 0 "[ . 1]" 1
936 1 87 ILE MG 1 88 THR HA 6.000 . 6.000 5.500 5.367 5.575 . 0 0 "[ . 1]" 1
937 1 88 THR H 1 88 THR HB 3.380 . 3.380 2.726 2.609 3.168 . 0 0 "[ . 1]" 1
938 1 88 THR H 1 88 THR MG 4.240 . 4.240 3.712 2.095 3.929 . 0 0 "[ . 1]" 1
939 1 88 THR H 1 89 LEU H 4.930 . 4.930 4.279 4.158 4.339 . 0 0 "[ . 1]" 1
940 1 88 THR HA 1 88 THR MG 3.290 . 3.290 2.477 2.347 3.233 . 0 0 "[ . 1]" 1
941 1 88 THR HA 1 89 LEU H 3.280 . 3.280 2.145 2.121 2.173 . 0 0 "[ . 1]" 1
942 1 88 THR HB 1 89 LEU H 4.420 . 4.420 4.260 4.196 4.387 . 0 0 "[ . 1]" 1
943 1 88 THR HB 1 89 LEU HA 5.540 . 5.540 5.178 5.001 5.913 0.373 9 0 "[ . 1]" 1
944 1 88 THR MG 1 89 LEU H 3.680 . 3.680 2.840 2.552 3.959 0.279 9 0 "[ . 1]" 1
945 1 88 THR MG 1 89 LEU HA 4.560 . 4.560 3.961 3.850 4.118 . 0 0 "[ . 1]" 1
946 1 88 THR MG 1 89 LEU QD 4.460 . 4.460 4.127 3.517 4.644 0.184 4 0 "[ . 1]" 1
947 1 89 LEU H 1 89 LEU HB2 3.860 . 3.860 2.546 2.277 2.651 . 0 0 "[ . 1]" 1
948 1 89 LEU H 1 89 LEU QB 3.360 . 3.360 2.501 2.252 2.598 . 0 0 "[ . 1]" 1
949 1 89 LEU H 1 89 LEU HB3 3.860 . 3.860 3.671 3.568 3.728 . 0 0 "[ . 1]" 1
950 1 89 LEU H 1 89 LEU HG 5.240 . 5.240 3.160 2.409 4.229 . 0 0 "[ . 1]" 1
951 1 89 LEU HA 1 89 LEU QD 3.330 . 3.330 2.317 2.157 3.101 . 0 0 "[ . 1]" 1
952 1 89 LEU HA 1 90 VAL H 3.300 . 3.300 2.215 2.110 2.355 . 0 0 "[ . 1]" 1
953 1 89 LEU HA 1 90 VAL QG 4.720 . 4.720 3.253 3.071 3.719 . 0 0 "[ . 1]" 1
954 1 89 LEU QB 1 90 VAL H 3.630 . 3.630 2.874 2.476 3.150 . 0 0 "[ . 1]" 1
955 1 89 LEU HB2 1 90 VAL H 4.340 . 4.340 3.903 3.561 4.302 . 0 0 "[ . 1]" 1
956 1 89 LEU HB3 1 90 VAL H 4.340 . 4.340 2.961 2.519 3.240 . 0 0 "[ . 1]" 1
957 1 89 LEU QD 1 90 VAL H 4.060 . 4.060 3.687 3.426 4.101 0.041 3 0 "[ . 1]" 1
958 1 90 VAL H 1 90 VAL HB 3.910 . 3.910 3.484 2.627 3.935 0.025 10 0 "[ . 1]" 1
959 1 90 VAL H 1 90 VAL QG 3.230 . 3.230 2.157 1.866 3.122 . 0 0 "[ . 1]" 1
960 1 90 VAL H 1 91 ASP QB 5.560 . 5.560 4.940 4.487 5.739 0.179 4 0 "[ . 1]" 1
961 1 90 VAL HA 1 90 VAL QG 3.010 . 3.010 2.296 2.123 2.644 . 0 0 "[ . 1]" 1
962 1 90 VAL HA 1 91 ASP H 3.090 . 3.090 2.337 2.192 2.502 . 0 0 "[ . 1]" 1
963 1 90 VAL HB 1 91 ASP H 4.190 . 4.190 3.019 2.069 4.277 0.087 9 0 "[ . 1]" 1
964 1 90 VAL HB 1 92 ASP H 4.530 . 4.530 4.300 2.819 4.740 0.210 3 0 "[ . 1]" 1
965 1 90 VAL QG 1 91 ASP H 3.500 . 3.500 2.858 1.868 3.545 0.045 4 0 "[ . 1]" 1
966 1 90 VAL QG 1 91 ASP QB 4.150 . 4.150 3.790 2.639 4.554 0.404 10 0 "[ . 1]" 1
967 1 90 VAL QG 1 92 ASP H 5.140 . 5.140 3.445 1.751 4.502 0.049 3 0 "[ . 1]" 1
968 1 91 ASP H 1 91 ASP QB 3.330 . 3.330 2.876 2.185 3.392 0.062 6 0 "[ . 1]" 1
969 1 91 ASP QB 1 92 ASP H 4.190 . 4.190 3.449 1.832 4.062 . 0 0 "[ . 1]" 1
970 1 92 ASP H 1 92 ASP QB 3.490 . 3.490 2.888 2.445 3.316 . 0 0 "[ . 1]" 1
971 1 92 ASP HA 1 93 LEU H 3.530 . 3.530 2.663 2.178 3.572 0.042 2 0 "[ . 1]" 1
972 1 92 ASP HA 1 93 LEU HG 4.710 . 4.710 4.074 3.208 4.849 0.139 5 0 "[ . 1]" 1
973 1 92 ASP HA 1 94 GLU H 5.190 . 5.190 4.342 3.036 5.407 0.217 4 0 "[ . 1]" 1
974 1 92 ASP QB 1 93 LEU H 4.310 . 4.310 3.158 2.060 3.964 . 0 0 "[ . 1]" 1
975 1 93 LEU H 1 93 LEU QB 3.590 . 3.590 2.886 2.528 3.391 . 0 0 "[ . 1]" 1
976 1 93 LEU H 1 93 LEU HG 3.840 . 3.840 2.243 1.897 2.754 . 0 0 "[ . 1]" 1
977 1 93 LEU HA 1 93 LEU QD 3.230 . 3.230 2.322 2.179 3.473 0.243 5 0 "[ . 1]" 1
978 1 93 LEU HA 1 93 LEU HG 3.590 . 3.590 3.238 3.103 3.620 0.030 5 0 "[ . 1]" 1
979 1 94 GLU H 1 94 GLU QB 3.260 . 3.260 2.845 2.254 3.346 0.086 2 0 "[ . 1]" 1
980 1 94 GLU H 1 94 GLU QG 3.760 . 3.760 2.792 2.117 4.052 0.292 7 0 "[ . 1]" 1
981 1 94 GLU HA 1 94 GLU QG 3.580 . 3.580 2.522 2.346 3.335 . 0 0 "[ . 1]" 1
982 1 94 GLU HA 1 95 HIS H 3.450 . 3.450 2.695 2.170 3.541 0.091 7 0 "[ . 1]" 1
983 1 94 GLU QG 1 95 HIS H 5.220 . 5.220 3.995 3.555 4.395 . 0 0 "[ . 1]" 1
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