NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442373 |
2kck   |
16083 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kck
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 1249
_Distance_constraint_stats_list.Viol_count 709
_Distance_constraint_stats_list.Viol_total 799.951
_Distance_constraint_stats_list.Viol_max 0.498
_Distance_constraint_stats_list.Viol_rms 0.0335
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.1128
_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 6 PRO 1.800 0.274 3 0 "[ . 1]"
1 7 GLU 0.049 0.049 4 0 "[ . 1]"
1 8 GLU 0.000 0.000 . 0 "[ . 1]"
1 9 TYR 2.055 0.352 8 0 "[ . 1]"
1 10 TYR 0.667 0.150 10 0 "[ . 1]"
1 11 LEU 8.031 0.409 4 0 "[ . 1]"
1 12 GLU 0.070 0.055 4 0 "[ . 1]"
1 13 GLY 0.070 0.070 4 0 "[ . 1]"
1 14 VAL 2.378 0.406 4 0 "[ . 1]"
1 15 LEU 5.604 0.289 2 0 "[ . 1]"
1 16 GLN 1.894 0.498 2 0 "[ . 1]"
1 17 TYR 0.000 0.000 . 0 "[ . 1]"
1 18 ASP 0.724 0.219 4 0 "[ . 1]"
1 19 ALA 2.564 0.299 9 0 "[ . 1]"
1 20 GLY 1.984 0.226 4 0 "[ . 1]"
1 21 ASN 2.162 0.498 2 0 "[ . 1]"
1 22 TYR 3.618 0.300 8 0 "[ . 1]"
1 23 THR 1.145 0.219 1 0 "[ . 1]"
1 24 GLU 0.078 0.078 6 0 "[ . 1]"
1 25 SER 3.800 0.323 10 0 "[ . 1]"
1 26 ILE 2.143 0.306 1 0 "[ . 1]"
1 27 ASP 0.694 0.197 5 0 "[ . 1]"
1 28 LEU 5.564 0.409 4 0 "[ . 1]"
1 29 PHE 0.997 0.352 8 0 "[ . 1]"
1 30 GLU 0.385 0.289 8 0 "[ . 1]"
1 31 LYS 1.947 0.230 8 0 "[ . 1]"
1 32 ALA 1.760 0.274 3 0 "[ . 1]"
1 33 ILE 3.603 0.342 7 0 "[ . 1]"
1 34 GLN 1.500 0.323 6 0 "[ . 1]"
1 35 LEU 3.444 0.323 6 0 "[ . 1]"
1 36 ASP 0.158 0.158 5 0 "[ . 1]"
1 37 PRO 0.270 0.175 1 0 "[ . 1]"
1 38 GLU 2.625 0.308 1 0 "[ . 1]"
1 39 GLU 0.867 0.297 9 0 "[ . 1]"
1 40 SER 0.000 0.000 . 0 "[ . 1]"
1 41 LYS 2.480 0.469 3 0 "[ . 1]"
1 42 TYR 2.886 0.342 7 0 "[ . 1]"
1 43 TRP 2.613 0.403 7 0 "[ . 1]"
1 44 LEU 9.985 0.469 3 0 "[ . 1]"
1 45 MET 1.362 0.256 9 0 "[ . 1]"
1 46 LYS 0.000 0.000 . 0 "[ . 1]"
1 47 GLY 0.283 0.135 6 0 "[ . 1]"
1 48 LYS 1.729 0.283 8 0 "[ . 1]"
1 49 ALA 0.000 0.000 . 0 "[ . 1]"
1 50 LEU 4.872 0.453 4 0 "[ . 1]"
1 51 TYR 0.072 0.050 8 0 "[ . 1]"
1 52 ASN 0.000 0.000 . 0 "[ . 1]"
1 53 LEU 2.546 0.300 8 0 "[ . 1]"
1 54 GLU 0.627 0.177 2 0 "[ . 1]"
1 55 ARG 1.832 0.339 3 0 "[ . 1]"
1 56 TYR 0.123 0.050 8 0 "[ . 1]"
1 57 GLU 0.861 0.182 10 0 "[ . 1]"
1 58 GLU 0.568 0.147 9 0 "[ . 1]"
1 59 ALA 2.674 0.453 4 0 "[ . 1]"
1 60 VAL 3.342 0.243 6 0 "[ . 1]"
1 61 ASP 0.000 0.000 . 0 "[ . 1]"
1 62 CYS 0.000 0.000 . 0 "[ . 1]"
1 63 TYR 0.409 0.160 2 0 "[ . 1]"
1 64 ASN 0.084 0.084 7 0 "[ . 1]"
1 65 TYR 2.430 0.403 7 0 "[ . 1]"
1 66 VAL 3.129 0.274 1 0 "[ . 1]"
1 67 ILE 4.203 0.432 4 0 "[ . 1]"
1 68 ASN 0.199 0.199 6 0 "[ . 1]"
1 69 VAL 0.481 0.199 6 0 "[ . 1]"
1 70 ILE 5.932 0.314 6 0 "[ . 1]"
1 71 GLU 0.000 0.000 . 0 "[ . 1]"
1 72 ASP 0.527 0.205 6 0 "[ . 1]"
1 73 GLU 1.681 0.423 2 0 "[ . 1]"
1 74 TYR 1.385 0.200 1 0 "[ . 1]"
1 75 ASN 1.550 0.442 6 0 "[ . 1]"
1 76 LYS 3.102 0.442 6 0 "[ . 1]"
1 77 ASP 0.554 0.159 3 0 "[ . 1]"
1 78 VAL 6.393 0.432 4 0 "[ . 1]"
1 79 TRP 0.281 0.153 8 0 "[ . 1]"
1 80 ALA 0.000 0.000 . 0 "[ . 1]"
1 81 ALA 0.423 0.134 4 0 "[ . 1]"
1 82 LYS 4.411 0.243 6 0 "[ . 1]"
1 83 ALA 1.219 0.228 1 0 "[ . 1]"
1 84 ASP 0.000 0.000 . 0 "[ . 1]"
1 85 ALA 1.091 0.147 9 0 "[ . 1]"
1 86 LEU 2.903 0.197 8 0 "[ . 1]"
1 87 ARG 1.225 0.250 2 0 "[ . 1]"
1 88 TYR 0.344 0.112 7 0 "[ . 1]"
1 89 ILE 2.428 0.297 10 0 "[ . 1]"
1 90 GLU 0.404 0.116 8 0 "[ . 1]"
1 94 VAL 0.184 0.114 7 0 "[ . 1]"
1 95 GLU 1.214 0.297 10 0 "[ . 1]"
1 96 ALA 1.774 0.250 2 0 "[ . 1]"
1 97 GLU 0.000 0.000 . 0 "[ . 1]"
1 98 ILE 0.301 0.114 7 0 "[ . 1]"
1 99 ALA 0.377 0.099 4 0 "[ . 1]"
1 100 GLU 0.319 0.228 1 0 "[ . 1]"
1 101 ALA 0.130 0.080 10 0 "[ . 1]"
1 102 ARG 0.251 0.153 2 0 "[ . 1]"
1 103 ALA 0.022 0.022 5 0 "[ . 1]"
1 104 LYS 0.000 0.000 . 0 "[ . 1]"
1 105 LEU 0.399 0.153 2 0 "[ . 1]"
1 106 GLU 0.148 0.148 2 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 6 PRO HA 1 8 GLU H 6.250 . 6.250 3.483 3.083 4.083 . 0 0 "[ . 1]" 1
2 1 6 PRO HA 1 9 TYR H 4.360 . 4.360 3.487 3.139 3.677 . 0 0 "[ . 1]" 1
3 1 6 PRO HA 1 9 TYR QD 4.730 . 4.730 2.609 2.302 3.454 . 0 0 "[ . 1]" 1
4 1 6 PRO HA 1 9 TYR QE 6.000 . 6.000 3.208 2.382 4.073 . 0 0 "[ . 1]" 1
5 1 6 PRO HA 1 35 LEU QD 4.000 . 4.000 3.284 2.550 4.046 0.046 7 0 "[ . 1]" 1
6 1 6 PRO HB2 1 32 ALA MB 4.550 . 4.550 3.024 2.549 4.217 . 0 0 "[ . 1]" 1
7 1 6 PRO HB2 1 35 LEU HB3 6.000 . 6.000 5.629 4.946 6.017 0.017 6 0 "[ . 1]" 1
8 1 6 PRO HB2 1 35 LEU QD 4.260 . 4.260 3.899 3.282 4.479 0.219 10 0 "[ . 1]" 1
9 1 6 PRO QD 1 35 LEU QD 4.450 . 4.450 3.222 2.269 3.843 . 0 0 "[ . 1]" 1
10 1 6 PRO HD3 1 32 ALA HA 5.300 . 5.300 5.060 4.144 5.574 0.274 3 0 "[ . 1]" 1
11 1 6 PRO HD3 1 32 ALA MB 6.000 . 6.000 5.212 4.328 5.659 . 0 0 "[ . 1]" 1
12 1 6 PRO HD3 1 35 LEU HB2 5.050 . 5.050 3.941 3.023 4.868 . 0 0 "[ . 1]" 1
13 1 6 PRO HD3 1 35 LEU HB3 5.660 . 5.660 3.434 2.921 4.377 . 0 0 "[ . 1]" 1
14 1 6 PRO HD3 1 35 LEU QD 4.070 . 4.070 3.330 2.288 4.101 0.031 7 0 "[ . 1]" 1
15 1 6 PRO HD3 1 36 ASP H 6.250 . 6.250 5.213 4.098 6.408 0.158 5 0 "[ . 1]" 1
16 1 6 PRO HG2 1 32 ALA HA 5.350 . 5.350 3.857 2.818 5.225 . 0 0 "[ . 1]" 1
17 1 6 PRO HG2 1 35 LEU HB2 5.000 . 5.000 4.180 2.655 5.164 0.164 6 0 "[ . 1]" 1
18 1 6 PRO HG2 1 35 LEU QD 4.510 . 4.510 4.004 2.978 4.692 0.182 8 0 "[ . 1]" 1
19 1 6 PRO HG3 1 35 LEU QD 4.610 . 4.610 2.981 2.190 3.685 . 0 0 "[ . 1]" 1
20 1 7 GLU H 1 8 GLU H 5.310 . 5.310 2.800 2.363 3.438 . 0 0 "[ . 1]" 1
21 1 7 GLU H 1 9 TYR H 5.330 . 5.330 3.962 3.258 4.408 . 0 0 "[ . 1]" 1
22 1 7 GLU HA 1 10 TYR H 5.110 . 5.110 3.977 3.467 4.329 . 0 0 "[ . 1]" 1
23 1 7 GLU HA 1 10 TYR QB 4.580 . 4.580 3.598 2.941 4.629 0.049 4 0 "[ . 1]" 1
24 1 8 GLU H 1 9 TYR H 5.120 . 5.120 2.516 2.452 2.734 . 0 0 "[ . 1]" 1
25 1 8 GLU H 1 10 TYR H 6.250 . 6.250 4.080 3.984 4.328 . 0 0 "[ . 1]" 1
26 1 8 GLU H 1 10 TYR QB 6.040 . 6.040 5.048 4.880 5.684 . 0 0 "[ . 1]" 1
27 1 9 TYR H 1 10 TYR H 5.310 . 5.310 2.741 2.649 2.882 . 0 0 "[ . 1]" 1
28 1 9 TYR H 1 10 TYR HA 5.350 . 5.350 5.239 5.182 5.327 . 0 0 "[ . 1]" 1
29 1 9 TYR H 1 11 LEU H 6.250 . 6.250 4.572 4.339 5.966 . 0 0 "[ . 1]" 1
30 1 9 TYR H 1 11 LEU QD 6.160 . 6.160 4.344 4.121 4.862 . 0 0 "[ . 1]" 1
31 1 9 TYR H 1 32 ALA MB 6.200 . 6.200 5.089 4.697 5.801 . 0 0 "[ . 1]" 1
32 1 9 TYR H 1 35 LEU QD 6.160 . 6.160 5.345 4.586 5.860 . 0 0 "[ . 1]" 1
33 1 9 TYR HA 1 9 TYR QD 3.750 . 3.750 2.893 2.133 3.101 . 0 0 "[ . 1]" 1
34 1 9 TYR HA 1 11 LEU H 5.380 . 5.380 3.372 3.181 4.346 . 0 0 "[ . 1]" 1
35 1 9 TYR HA 1 11 LEU HG 5.260 . 5.260 3.422 2.993 4.153 . 0 0 "[ . 1]" 1
36 1 9 TYR HA 1 12 GLU H 5.540 . 5.540 4.571 4.256 5.556 0.016 4 0 "[ . 1]" 1
37 1 9 TYR HA 1 28 LEU QD 4.950 . 4.950 3.095 2.494 3.973 . 0 0 "[ . 1]" 1
38 1 9 TYR HA 1 32 ALA MB 5.790 . 5.790 5.282 4.713 5.897 0.107 8 0 "[ . 1]" 1
39 1 9 TYR QB 1 10 TYR HA 4.360 . 4.360 4.047 3.983 4.157 . 0 0 "[ . 1]" 1
40 1 9 TYR QB 1 32 ALA MB 4.130 . 4.130 2.788 2.278 3.606 . 0 0 "[ . 1]" 1
41 1 9 TYR HB2 1 10 TYR H 5.390 . 5.390 3.230 3.022 3.572 . 0 0 "[ . 1]" 1
42 1 9 TYR HB2 1 10 TYR HA 5.040 . 5.040 4.537 4.247 4.757 . 0 0 "[ . 1]" 1
43 1 9 TYR HB2 1 32 ALA H 6.250 . 6.250 5.236 4.578 6.397 0.147 4 0 "[ . 1]" 1
44 1 9 TYR HB3 1 10 TYR H 5.390 . 5.390 3.974 3.772 4.137 . 0 0 "[ . 1]" 1
45 1 9 TYR HB3 1 10 TYR HA 5.040 . 5.040 4.568 4.376 4.815 . 0 0 "[ . 1]" 1
46 1 9 TYR HB3 1 32 ALA H 6.250 . 6.250 4.618 4.069 5.868 . 0 0 "[ . 1]" 1
47 1 9 TYR QD 1 11 LEU H 6.250 . 6.250 5.412 4.968 5.700 . 0 0 "[ . 1]" 1
48 1 9 TYR QD 1 28 LEU HA 5.230 . 5.230 3.542 2.404 4.713 . 0 0 "[ . 1]" 1
49 1 9 TYR QD 1 28 LEU QD 4.420 . 4.420 2.441 1.960 3.756 . 0 0 "[ . 1]" 1
50 1 9 TYR QD 1 29 PHE HA 5.060 . 5.060 5.034 4.551 5.412 0.352 8 0 "[ . 1]" 1
51 1 9 TYR QD 1 31 LYS HE2 6.250 . 6.250 5.614 4.629 6.461 0.211 8 0 "[ . 1]" 1
52 1 9 TYR QD 1 31 LYS HE3 6.500 . 6.500 5.726 3.814 6.730 0.230 8 0 "[ . 1]" 1
53 1 9 TYR QD 1 32 ALA H 6.250 . 6.250 3.692 3.171 4.330 . 0 0 "[ . 1]" 1
54 1 9 TYR QD 1 32 ALA MB 4.050 . 4.050 3.301 2.783 3.672 . 0 0 "[ . 1]" 1
55 1 9 TYR QD 1 35 LEU MD1 6.250 . 6.250 4.214 3.195 5.354 . 0 0 "[ . 1]" 1
56 1 9 TYR QD 1 35 LEU QD 5.160 . 5.160 3.656 3.004 4.281 . 0 0 "[ . 1]" 1
57 1 9 TYR QD 1 35 LEU MD2 6.250 . 6.250 4.847 3.046 6.335 0.085 2 0 "[ . 1]" 1
58 1 9 TYR QE 1 28 LEU QD 5.480 . 5.480 3.361 2.967 4.623 . 0 0 "[ . 1]" 1
59 1 9 TYR QE 1 31 LYS QD 5.440 . 5.440 2.727 2.122 3.696 . 0 0 "[ . 1]" 1
60 1 9 TYR QE 1 31 LYS QE 5.260 . 5.260 3.630 2.198 5.162 . 0 0 "[ . 1]" 1
61 1 9 TYR QE 1 35 LEU QD 4.400 . 4.400 2.695 2.076 3.290 . 0 0 "[ . 1]" 1
62 1 10 TYR H 1 10 TYR QE 6.250 . 6.250 4.691 4.180 4.846 . 0 0 "[ . 1]" 1
63 1 10 TYR H 1 11 LEU H 5.880 . 5.880 2.880 2.604 3.979 . 0 0 "[ . 1]" 1
64 1 10 TYR H 1 11 LEU QB 6.040 . 6.040 4.724 4.365 4.870 . 0 0 "[ . 1]" 1
65 1 10 TYR HA 1 13 GLY H 5.960 . 5.960 3.666 3.517 4.215 . 0 0 "[ . 1]" 1
66 1 10 TYR HB2 1 11 LEU H 5.510 . 5.510 4.391 4.282 4.463 . 0 0 "[ . 1]" 1
67 1 10 TYR HB3 1 11 LEU H 5.510 . 5.510 4.002 3.832 4.660 . 0 0 "[ . 1]" 1
68 1 10 TYR QD 1 11 LEU H 6.250 . 6.250 2.799 1.999 3.884 . 0 0 "[ . 1]" 1
69 1 10 TYR QD 1 11 LEU QD 4.330 . 4.330 4.350 4.147 4.480 0.150 10 0 "[ . 1]" 1
70 1 10 TYR QE 1 11 LEU QD 5.070 . 5.070 4.885 4.635 5.079 0.009 4 0 "[ . 1]" 1
71 1 11 LEU H 1 11 LEU MD1 5.070 . 5.070 3.754 1.908 4.120 . 0 0 "[ . 1]" 1
72 1 11 LEU H 1 11 LEU QD 4.270 . 4.270 2.778 1.904 3.101 . 0 0 "[ . 1]" 1
73 1 11 LEU H 1 11 LEU MD2 5.070 . 5.070 3.075 2.843 4.057 . 0 0 "[ . 1]" 1
74 1 11 LEU H 1 11 LEU HG 3.990 . 3.990 2.662 2.133 3.750 . 0 0 "[ . 1]" 1
75 1 11 LEU H 1 12 GLU H 5.320 . 5.320 2.699 1.745 2.860 0.055 4 0 "[ . 1]" 1
76 1 11 LEU H 1 28 LEU HG 6.250 . 6.250 5.882 5.392 6.182 . 0 0 "[ . 1]" 1
77 1 11 LEU HA 1 11 LEU MD1 4.360 . 4.360 3.637 3.383 3.737 . 0 0 "[ . 1]" 1
78 1 11 LEU HA 1 11 LEU QD 3.500 . 3.500 3.375 3.020 3.452 . 0 0 "[ . 1]" 1
79 1 11 LEU HA 1 11 LEU MD2 4.360 . 4.360 4.010 3.397 4.113 . 0 0 "[ . 1]" 1
80 1 11 LEU HA 1 14 VAL H 5.190 . 5.190 3.699 3.617 3.838 . 0 0 "[ . 1]" 1
81 1 11 LEU HA 1 14 VAL HB 4.270 . 4.270 3.984 3.932 4.136 . 0 0 "[ . 1]" 1
82 1 11 LEU HA 1 14 VAL MG1 5.000 . 5.000 5.064 4.869 5.406 0.406 4 0 "[ . 1]" 1
83 1 11 LEU HA 1 14 VAL QG 4.030 . 4.030 3.005 2.712 3.740 . 0 0 "[ . 1]" 1
84 1 11 LEU HA 1 14 VAL MG2 4.650 . 4.650 3.030 2.726 3.813 . 0 0 "[ . 1]" 1
85 1 11 LEU QB 1 13 GLY H 6.040 . 6.040 5.358 5.210 5.496 . 0 0 "[ . 1]" 1
86 1 11 LEU QB 1 15 LEU H 5.000 . 5.000 4.947 4.733 5.111 0.111 6 0 "[ . 1]" 1
87 1 11 LEU QB 1 15 LEU QD 4.250 . 4.250 3.880 3.385 4.226 . 0 0 "[ . 1]" 1
88 1 11 LEU QB 1 15 LEU HG 4.500 . 4.500 4.297 3.765 4.580 0.080 6 0 "[ . 1]" 1
89 1 11 LEU QB 1 28 LEU QB 6.000 . 6.000 5.815 5.470 6.178 0.178 10 0 "[ . 1]" 1
90 1 11 LEU QB 1 28 LEU QD 4.500 . 4.500 4.467 4.302 4.613 0.113 10 0 "[ . 1]" 1
91 1 11 LEU QB 1 28 LEU HG 5.200 . 5.200 5.275 4.845 5.478 0.278 6 0 "[ . 1]" 1
92 1 11 LEU QD 1 12 GLU H 5.140 . 5.140 2.861 1.903 3.138 . 0 0 "[ . 1]" 1
93 1 11 LEU QD 1 15 LEU HA 5.000 . 5.000 5.050 4.426 5.243 0.243 2 0 "[ . 1]" 1
94 1 11 LEU QD 1 15 LEU HG 3.120 . 3.120 2.448 2.092 2.677 . 0 0 "[ . 1]" 1
95 1 11 LEU QD 1 25 SER QB 5.500 . 5.500 5.273 4.105 5.823 0.323 10 0 "[ . 1]" 1
96 1 11 LEU QD 1 28 LEU QB 4.770 . 4.770 3.407 2.887 3.844 . 0 0 "[ . 1]" 1
97 1 11 LEU MD1 1 12 GLU H 6.250 . 6.250 2.972 1.915 3.310 . 0 0 "[ . 1]" 1
98 1 11 LEU MD1 1 13 GLY H 6.250 . 6.250 4.828 4.162 5.060 . 0 0 "[ . 1]" 1
99 1 11 LEU MD2 1 12 GLU H 6.250 . 6.250 3.814 3.289 3.935 . 0 0 "[ . 1]" 1
100 1 11 LEU MD2 1 13 GLY H 6.250 . 6.250 5.998 4.794 6.206 . 0 0 "[ . 1]" 1
101 1 11 LEU HG 1 12 GLU H 5.500 . 5.500 2.405 1.987 4.424 . 0 0 "[ . 1]" 1
102 1 11 LEU HG 1 15 LEU HG 4.870 . 4.870 4.780 4.587 4.967 0.097 6 0 "[ . 1]" 1
103 1 11 LEU HG 1 28 LEU MD1 4.340 . 4.340 3.379 2.916 3.965 . 0 0 "[ . 1]" 1
104 1 11 LEU HG 1 28 LEU QD 3.410 . 3.410 3.308 2.891 3.819 0.409 4 0 "[ . 1]" 1
105 1 11 LEU HG 1 28 LEU MD2 4.750 . 4.750 4.841 3.922 5.045 0.295 6 0 "[ . 1]" 1
106 1 11 LEU HG 1 28 LEU HG 5.050 . 5.050 3.585 3.318 4.236 . 0 0 "[ . 1]" 1
107 1 12 GLU H 1 13 GLY H 5.500 . 5.500 2.805 2.717 2.886 . 0 0 "[ . 1]" 1
108 1 12 GLU H 1 14 VAL H 6.250 . 6.250 4.292 4.098 4.744 . 0 0 "[ . 1]" 1
109 1 12 GLU H 1 15 LEU H 6.250 . 6.250 5.032 4.912 5.184 . 0 0 "[ . 1]" 1
110 1 12 GLU H 1 15 LEU QD 6.160 . 6.160 4.222 3.975 4.394 . 0 0 "[ . 1]" 1
111 1 12 GLU H 1 28 LEU QB 6.040 . 6.040 4.337 3.946 5.029 . 0 0 "[ . 1]" 1
112 1 12 GLU H 1 28 LEU HG 6.250 . 6.250 4.473 3.894 4.914 . 0 0 "[ . 1]" 1
113 1 12 GLU HA 1 14 VAL H 6.250 . 6.250 3.918 3.669 4.436 . 0 0 "[ . 1]" 1
114 1 12 GLU HA 1 15 LEU H 4.960 . 4.960 3.160 3.020 3.336 . 0 0 "[ . 1]" 1
115 1 12 GLU HA 1 15 LEU HG 4.940 . 4.940 2.409 2.349 2.659 . 0 0 "[ . 1]" 1
116 1 13 GLY H 1 14 VAL H 5.470 . 5.470 3.022 2.962 3.280 . 0 0 "[ . 1]" 1
117 1 13 GLY H 1 14 VAL HB 5.960 . 5.960 5.286 5.211 5.371 . 0 0 "[ . 1]" 1
118 1 13 GLY H 1 14 VAL MG1 6.250 . 6.250 6.214 6.182 6.320 0.070 4 0 "[ . 1]" 1
119 1 13 GLY H 1 14 VAL QG 5.370 . 5.370 4.258 4.092 4.641 . 0 0 "[ . 1]" 1
120 1 13 GLY H 1 14 VAL MG2 6.250 . 6.250 4.338 4.152 4.775 . 0 0 "[ . 1]" 1
121 1 13 GLY H 1 15 LEU H 6.250 . 6.250 4.662 4.590 4.776 . 0 0 "[ . 1]" 1
122 1 13 GLY H 1 16 GLN H 6.250 . 6.250 5.300 5.145 5.456 . 0 0 "[ . 1]" 1
123 1 14 VAL H 1 14 VAL QG 4.170 . 4.170 2.056 1.979 2.122 . 0 0 "[ . 1]" 1
124 1 14 VAL H 1 15 LEU H 5.500 . 5.500 2.671 2.527 2.824 . 0 0 "[ . 1]" 1
125 1 14 VAL H 1 16 GLN H 6.250 . 6.250 4.669 4.552 5.034 . 0 0 "[ . 1]" 1
126 1 14 VAL HA 1 14 VAL MG1 3.390 . 3.390 2.319 2.287 2.376 . 0 0 "[ . 1]" 1
127 1 14 VAL HA 1 14 VAL QG 2.960 . 2.960 2.089 2.074 2.102 . 0 0 "[ . 1]" 1
128 1 14 VAL HA 1 14 VAL MG2 3.390 . 3.390 2.373 2.327 2.416 . 0 0 "[ . 1]" 1
129 1 14 VAL HA 1 17 TYR H 5.200 . 5.200 3.780 3.684 4.128 . 0 0 "[ . 1]" 1
130 1 14 VAL HA 1 17 TYR QB 5.150 . 5.150 2.535 2.313 2.653 . 0 0 "[ . 1]" 1
131 1 14 VAL HA 1 18 ASP H 5.790 . 5.790 3.597 3.371 3.783 . 0 0 "[ . 1]" 1
132 1 14 VAL HA 1 19 ALA H 5.650 . 5.650 5.796 5.630 5.949 0.299 9 0 "[ . 1]" 1
133 1 14 VAL HB 1 15 LEU H 4.540 . 4.540 2.259 2.152 2.334 . 0 0 "[ . 1]" 1
134 1 14 VAL HB 1 16 GLN H 5.610 . 5.610 5.350 5.207 5.543 . 0 0 "[ . 1]" 1
135 1 14 VAL HB 1 17 TYR H 6.250 . 6.250 5.747 5.613 6.030 . 0 0 "[ . 1]" 1
136 1 14 VAL HB 1 19 ALA MB 7.000 . 7.000 6.375 5.809 7.019 0.019 2 0 "[ . 1]" 1
137 1 14 VAL QG 1 15 LEU H 4.180 . 4.180 3.024 2.929 3.091 . 0 0 "[ . 1]" 1
138 1 14 VAL QG 1 15 LEU HA 4.180 . 4.180 3.375 3.228 3.481 . 0 0 "[ . 1]" 1
139 1 14 VAL QG 1 18 ASP H 5.270 . 5.270 3.421 3.285 3.597 . 0 0 "[ . 1]" 1
140 1 14 VAL QG 1 19 ALA H 5.480 . 5.480 4.253 4.007 4.628 . 0 0 "[ . 1]" 1
141 1 14 VAL MG1 1 16 GLN H 6.250 . 6.250 5.320 5.228 5.380 . 0 0 "[ . 1]" 1
142 1 14 VAL MG2 1 16 GLN H 6.250 . 6.250 5.832 5.743 6.087 . 0 0 "[ . 1]" 1
143 1 15 LEU H 1 15 LEU QD 4.580 . 4.580 2.676 2.397 2.949 . 0 0 "[ . 1]" 1
144 1 15 LEU H 1 15 LEU HG 4.100 . 4.100 1.942 1.808 2.058 . 0 0 "[ . 1]" 1
145 1 15 LEU H 1 16 GLN H 5.560 . 5.560 3.237 3.193 3.370 . 0 0 "[ . 1]" 1
146 1 15 LEU H 1 17 TYR H 6.250 . 6.250 4.530 4.409 4.687 . 0 0 "[ . 1]" 1
147 1 15 LEU HA 1 15 LEU MD1 3.770 . 3.770 3.806 3.764 3.823 0.053 1 0 "[ . 1]" 1
148 1 15 LEU HA 1 15 LEU MD2 3.770 . 3.770 2.122 2.078 2.152 . 0 0 "[ . 1]" 1
149 1 15 LEU HA 1 15 LEU HG 3.840 . 3.840 3.184 3.015 3.340 . 0 0 "[ . 1]" 1
150 1 15 LEU HA 1 18 ASP H 5.460 . 5.460 3.956 3.859 4.110 . 0 0 "[ . 1]" 1
151 1 15 LEU HA 1 18 ASP QB 3.810 . 3.810 3.274 3.169 3.440 . 0 0 "[ . 1]" 1
152 1 15 LEU HA 1 19 ALA H 6.250 . 6.250 2.857 2.578 3.257 . 0 0 "[ . 1]" 1
153 1 15 LEU HB2 1 22 TYR HA 6.000 . 6.000 6.090 5.965 6.264 0.264 4 0 "[ . 1]" 1
154 1 15 LEU HB2 1 25 SER QB 5.120 . 5.120 4.122 3.451 4.661 . 0 0 "[ . 1]" 1
155 1 15 LEU HB3 1 16 GLN H 5.880 . 5.880 3.162 2.979 3.339 . 0 0 "[ . 1]" 1
156 1 15 LEU QD 1 16 GLN H 5.220 . 5.220 3.752 3.724 3.783 . 0 0 "[ . 1]" 1
157 1 15 LEU QD 1 20 GLY H 6.160 . 6.160 5.920 4.947 6.386 0.226 4 0 "[ . 1]" 1
158 1 15 LEU QD 1 22 TYR HA 6.000 . 6.000 6.005 5.834 6.134 0.134 8 0 "[ . 1]" 1
159 1 15 LEU MD1 1 16 GLN H 6.250 . 6.250 4.046 4.002 4.077 . 0 0 "[ . 1]" 1
160 1 15 LEU MD2 1 16 GLN H 6.250 . 6.250 4.443 4.356 4.497 . 0 0 "[ . 1]" 1
161 1 15 LEU HG 1 25 SER HA 6.000 . 6.000 5.950 5.410 6.289 0.289 2 0 "[ . 1]" 1
162 1 16 GLN H 1 17 TYR H 5.820 . 5.820 3.055 2.967 3.185 . 0 0 "[ . 1]" 1
163 1 16 GLN H 1 17 TYR HA 6.250 . 6.250 5.575 5.506 5.671 . 0 0 "[ . 1]" 1
164 1 16 GLN H 1 18 ASP H 6.250 . 6.250 4.764 4.696 4.855 . 0 0 "[ . 1]" 1
165 1 16 GLN H 1 19 ALA MB 5.360 . 5.360 4.840 4.256 5.542 0.182 4 0 "[ . 1]" 1
166 1 16 GLN H 1 21 ASN H 6.090 . 6.090 5.616 4.367 6.588 0.498 2 0 "[ . 1]" 1
167 1 16 GLN H 1 22 TYR HA 5.830 . 5.830 5.590 5.344 6.004 0.174 4 0 "[ . 1]" 1
168 1 16 GLN H 1 25 SER QB 5.620 . 5.620 4.375 3.514 4.979 . 0 0 "[ . 1]" 1
169 1 17 TYR H 1 18 ASP H 5.930 . 5.930 3.087 3.035 3.191 . 0 0 "[ . 1]" 1
170 1 17 TYR H 1 19 ALA H 6.250 . 6.250 4.956 4.787 5.251 . 0 0 "[ . 1]" 1
171 1 17 TYR HA 1 19 ALA H 6.000 . 6.000 5.702 5.421 5.882 . 0 0 "[ . 1]" 1
172 1 18 ASP H 1 19 ALA H 5.380 . 5.380 2.931 2.809 3.072 . 0 0 "[ . 1]" 1
173 1 18 ASP H 1 19 ALA MB 5.540 . 5.540 4.676 4.506 4.939 . 0 0 "[ . 1]" 1
174 1 18 ASP H 1 20 GLY H 6.250 . 6.250 6.199 5.449 6.469 0.219 4 0 "[ . 1]" 1
175 1 18 ASP QB 1 19 ALA MB 5.130 . 5.130 3.342 3.182 3.438 . 0 0 "[ . 1]" 1
176 1 18 ASP HB2 1 19 ALA H 5.640 . 5.640 2.565 1.876 3.559 . 0 0 "[ . 1]" 1
177 1 18 ASP HB3 1 19 ALA H 5.640 . 5.640 2.473 1.834 3.030 . 0 0 "[ . 1]" 1
178 1 19 ALA H 1 19 ALA MB 3.290 . 3.290 2.306 2.239 2.398 . 0 0 "[ . 1]" 1
179 1 19 ALA H 1 20 GLY H 5.170 . 5.170 4.177 3.686 4.468 . 0 0 "[ . 1]" 1
180 1 19 ALA MB 1 20 GLY H 5.650 . 5.650 2.887 1.726 3.619 0.074 2 0 "[ . 1]" 1
181 1 19 ALA MB 1 20 GLY QA 5.420 . 5.420 3.944 3.455 4.236 . 0 0 "[ . 1]" 1
182 1 19 ALA MB 1 21 ASN H 4.510 . 4.510 3.658 3.166 4.158 . 0 0 "[ . 1]" 1
183 1 19 ALA MB 1 21 ASN QB 3.830 . 3.830 3.586 3.066 4.089 0.259 2 0 "[ . 1]" 1
184 1 20 GLY H 1 21 ASN H 5.070 . 5.070 3.499 3.048 4.035 . 0 0 "[ . 1]" 1
185 1 21 ASN H 1 22 TYR H 6.250 . 6.250 2.980 2.719 3.323 . 0 0 "[ . 1]" 1
186 1 21 ASN H 1 22 TYR HA 6.250 . 6.250 4.679 4.201 5.221 . 0 0 "[ . 1]" 1
187 1 21 ASN HA 1 23 THR H 6.250 . 6.250 3.565 3.240 3.992 . 0 0 "[ . 1]" 1
188 1 22 TYR H 1 23 THR H 5.750 . 5.750 2.844 2.736 2.961 . 0 0 "[ . 1]" 1
189 1 22 TYR H 1 53 LEU MD1 6.140 . 6.140 5.296 4.046 5.976 . 0 0 "[ . 1]" 1
190 1 22 TYR H 1 53 LEU QD 4.980 . 4.980 4.542 3.942 5.011 0.031 5 0 "[ . 1]" 1
191 1 22 TYR H 1 53 LEU MD2 6.140 . 6.140 5.124 4.852 5.446 . 0 0 "[ . 1]" 1
192 1 22 TYR H 1 53 LEU HG 6.500 . 6.500 6.562 6.432 6.765 0.265 5 0 "[ . 1]" 1
193 1 22 TYR HA 1 24 GLU H 6.250 . 6.250 4.600 4.452 4.734 . 0 0 "[ . 1]" 1
194 1 22 TYR HA 1 25 SER H 5.240 . 5.240 3.601 3.430 3.815 . 0 0 "[ . 1]" 1
195 1 22 TYR HA 1 53 LEU QD 4.590 . 4.590 4.498 3.980 4.890 0.300 8 0 "[ . 1]" 1
196 1 22 TYR QB 1 53 LEU QD 3.040 . 3.040 2.449 1.947 2.971 . 0 0 "[ . 1]" 1
197 1 22 TYR QB 1 53 LEU HG 4.090 . 4.090 3.648 3.345 4.242 0.152 7 0 "[ . 1]" 1
198 1 22 TYR HB2 1 23 THR H 6.250 . 6.250 2.677 2.277 3.298 . 0 0 "[ . 1]" 1
199 1 22 TYR HB2 1 53 LEU MD1 4.220 . 4.220 3.093 2.165 4.021 . 0 0 "[ . 1]" 1
200 1 22 TYR HB2 1 53 LEU MD2 4.220 . 4.220 3.223 2.941 3.853 . 0 0 "[ . 1]" 1
201 1 22 TYR HB2 1 53 LEU HG 4.960 . 4.960 4.084 3.498 4.565 . 0 0 "[ . 1]" 1
202 1 22 TYR HB3 1 23 THR H 6.250 . 6.250 3.649 3.369 4.236 . 0 0 "[ . 1]" 1
203 1 22 TYR HB3 1 53 LEU MD1 4.220 . 4.220 3.217 2.187 4.276 0.056 1 0 "[ . 1]" 1
204 1 22 TYR HB3 1 53 LEU MD2 4.220 . 4.220 3.714 2.976 4.321 0.101 1 0 "[ . 1]" 1
205 1 22 TYR HB3 1 53 LEU HG 4.960 . 4.960 4.269 3.475 5.111 0.151 6 0 "[ . 1]" 1
206 1 23 THR H 1 23 THR MG 4.780 . 4.780 3.404 1.987 3.758 . 0 0 "[ . 1]" 1
207 1 23 THR H 1 24 GLU H 5.770 . 5.770 2.756 2.653 2.876 . 0 0 "[ . 1]" 1
208 1 23 THR H 1 25 SER H 6.250 . 6.250 4.214 4.063 4.291 . 0 0 "[ . 1]" 1
209 1 23 THR H 1 53 LEU MD1 6.250 . 6.250 4.172 3.408 4.614 . 0 0 "[ . 1]" 1
210 1 23 THR H 1 53 LEU QD 4.830 . 4.830 3.532 3.105 3.933 . 0 0 "[ . 1]" 1
211 1 23 THR H 1 53 LEU MD2 6.250 . 6.250 3.837 3.434 4.378 . 0 0 "[ . 1]" 1
212 1 23 THR HA 1 23 THR MG 3.230 . 3.230 2.495 2.265 3.222 . 0 0 "[ . 1]" 1
213 1 23 THR HA 1 26 ILE H 5.980 . 5.980 3.649 3.461 3.795 . 0 0 "[ . 1]" 1
214 1 23 THR HA 1 26 ILE MD 3.480 . 3.480 2.969 2.113 3.699 0.219 1 0 "[ . 1]" 1
215 1 23 THR HA 1 26 ILE MG 5.070 . 5.070 4.189 3.583 5.013 . 0 0 "[ . 1]" 1
216 1 23 THR HA 1 27 ASP H 6.250 . 6.250 5.630 4.963 6.138 . 0 0 "[ . 1]" 1
217 1 23 THR HA 1 53 LEU QD 3.950 . 3.950 3.229 2.444 3.938 . 0 0 "[ . 1]" 1
218 1 23 THR HB 1 24 GLU H 4.390 . 4.390 2.746 2.382 3.823 . 0 0 "[ . 1]" 1
219 1 23 THR MG 1 24 GLU H 4.610 . 4.610 3.177 1.722 3.650 0.078 6 0 "[ . 1]" 1
220 1 23 THR MG 1 24 GLU HA 4.680 . 4.680 3.562 3.157 3.768 . 0 0 "[ . 1]" 1
221 1 23 THR MG 1 27 ASP H 6.250 . 6.250 5.210 4.463 5.833 . 0 0 "[ . 1]" 1
222 1 23 THR MG 1 53 LEU QD 4.170 . 4.170 3.733 2.936 4.325 0.155 3 0 "[ . 1]" 1
223 1 24 GLU H 1 25 SER H 5.430 . 5.430 2.772 2.690 2.824 . 0 0 "[ . 1]" 1
224 1 24 GLU H 1 27 ASP H 6.250 . 6.250 5.487 5.078 5.822 . 0 0 "[ . 1]" 1
225 1 24 GLU HA 1 27 ASP H 4.970 . 4.970 3.578 3.268 4.042 . 0 0 "[ . 1]" 1
226 1 25 SER H 1 26 ILE H 5.840 . 5.840 2.766 2.610 2.840 . 0 0 "[ . 1]" 1
227 1 25 SER H 1 26 ILE MD 6.020 . 6.020 5.303 3.532 6.326 0.306 1 0 "[ . 1]" 1
228 1 25 SER H 1 27 ASP H 6.250 . 6.250 4.493 4.393 4.604 . 0 0 "[ . 1]" 1
229 1 25 SER H 1 28 LEU QD 6.160 . 6.160 4.945 4.289 6.295 0.135 10 0 "[ . 1]" 1
230 1 25 SER H 1 53 LEU QD 6.160 . 6.160 5.942 5.637 6.277 0.117 3 0 "[ . 1]" 1
231 1 25 SER QB 1 28 LEU H 4.970 . 4.970 4.714 4.309 4.925 . 0 0 "[ . 1]" 1
232 1 25 SER QB 1 28 LEU QB 4.470 . 4.470 3.828 3.376 4.330 . 0 0 "[ . 1]" 1
233 1 25 SER QB 1 28 LEU QD 4.500 . 4.500 4.456 3.874 4.770 0.270 10 0 "[ . 1]" 1
234 1 26 ILE H 1 26 ILE MD 4.670 . 4.670 3.428 1.803 4.237 . 0 0 "[ . 1]" 1
235 1 26 ILE H 1 26 ILE MG 4.690 . 4.690 3.251 2.663 3.805 . 0 0 "[ . 1]" 1
236 1 26 ILE H 1 27 ASP H 5.510 . 5.510 2.753 2.707 2.838 . 0 0 "[ . 1]" 1
237 1 26 ILE HA 1 26 ILE MD 4.220 . 4.220 3.241 2.313 3.825 . 0 0 "[ . 1]" 1
238 1 26 ILE HA 1 26 ILE QG 3.640 . 3.640 2.322 2.207 2.400 . 0 0 "[ . 1]" 1
239 1 26 ILE HA 1 26 ILE MG 3.520 . 3.520 2.848 2.390 3.218 . 0 0 "[ . 1]" 1
240 1 26 ILE HA 1 29 PHE H 5.080 . 5.080 3.512 3.320 3.796 . 0 0 "[ . 1]" 1
241 1 26 ILE MD 1 27 ASP H 5.340 . 5.340 4.586 3.918 4.907 . 0 0 "[ . 1]" 1
242 1 26 ILE MG 1 27 ASP H 4.280 . 4.280 2.602 1.833 3.589 . 0 0 "[ . 1]" 1
243 1 26 ILE MG 1 27 ASP HA 4.210 . 4.210 3.081 2.859 3.432 . 0 0 "[ . 1]" 1
244 1 26 ILE MG 1 27 ASP HB3 5.000 . 5.000 4.596 3.942 5.197 0.197 5 0 "[ . 1]" 1
245 1 26 ILE MG 1 29 PHE H 6.250 . 6.250 4.902 4.686 5.098 . 0 0 "[ . 1]" 1
246 1 26 ILE MG 1 29 PHE QB 5.000 . 5.000 4.308 3.673 5.035 0.035 9 0 "[ . 1]" 1
247 1 27 ASP H 1 27 ASP HB3 3.500 . 3.500 3.149 2.416 3.563 0.063 1 0 "[ . 1]" 1
248 1 27 ASP H 1 28 LEU HA 6.250 . 6.250 5.303 5.190 5.378 . 0 0 "[ . 1]" 1
249 1 27 ASP H 1 29 PHE H 6.250 . 6.250 4.208 4.111 4.391 . 0 0 "[ . 1]" 1
250 1 27 ASP H 1 29 PHE QB 6.040 . 6.040 4.950 4.727 5.246 . 0 0 "[ . 1]" 1
251 1 27 ASP H 1 30 GLU H 6.250 . 6.250 4.696 4.500 4.849 . 0 0 "[ . 1]" 1
252 1 27 ASP HA 1 30 GLU H 5.190 . 5.190 3.740 3.578 3.857 . 0 0 "[ . 1]" 1
253 1 27 ASP HB3 1 28 LEU H 4.740 . 4.740 3.192 2.331 3.828 . 0 0 "[ . 1]" 1
254 1 28 LEU H 1 28 LEU MD1 4.670 . 4.670 3.838 3.667 4.082 . 0 0 "[ . 1]" 1
255 1 28 LEU H 1 28 LEU MD2 4.670 . 4.670 2.137 1.794 4.059 0.006 4 0 "[ . 1]" 1
256 1 28 LEU H 1 28 LEU HG 4.290 . 4.290 3.878 3.706 4.627 0.337 10 0 "[ . 1]" 1
257 1 28 LEU H 1 29 PHE H 5.230 . 5.230 2.715 2.607 2.949 . 0 0 "[ . 1]" 1
258 1 28 LEU H 1 29 PHE HA 5.540 . 5.540 5.309 5.224 5.484 . 0 0 "[ . 1]" 1
259 1 28 LEU H 1 29 PHE QB 6.040 . 6.040 4.506 4.300 4.825 . 0 0 "[ . 1]" 1
260 1 28 LEU H 1 30 GLU H 6.250 . 6.250 4.228 4.024 4.350 . 0 0 "[ . 1]" 1
261 1 28 LEU HA 1 28 LEU MD1 4.580 . 4.580 2.269 2.101 3.210 . 0 0 "[ . 1]" 1
262 1 28 LEU HA 1 28 LEU QD 3.090 . 3.090 2.009 1.948 2.061 . 0 0 "[ . 1]" 1
263 1 28 LEU HA 1 28 LEU MD2 4.580 . 4.580 2.351 2.054 2.652 . 0 0 "[ . 1]" 1
264 1 28 LEU HA 1 28 LEU HG 4.180 . 4.180 3.679 3.661 3.693 . 0 0 "[ . 1]" 1
265 1 28 LEU HA 1 31 LYS H 5.030 . 5.030 3.540 3.389 3.741 . 0 0 "[ . 1]" 1
266 1 28 LEU HA 1 31 LYS HD2 4.660 . 4.660 3.223 2.470 4.589 . 0 0 "[ . 1]" 1
267 1 28 LEU HA 1 31 LYS QD 3.940 . 3.940 2.815 2.448 4.154 0.214 4 0 "[ . 1]" 1
268 1 28 LEU HA 1 31 LYS HD3 4.660 . 4.660 3.899 2.636 4.744 0.084 4 0 "[ . 1]" 1
269 1 28 LEU QB 1 30 GLU H 6.040 . 6.040 4.761 4.612 4.873 . 0 0 "[ . 1]" 1
270 1 28 LEU HB2 1 29 PHE H 5.640 . 5.640 2.762 2.544 3.893 . 0 0 "[ . 1]" 1
271 1 28 LEU HB3 1 29 PHE H 5.640 . 5.640 3.248 2.616 3.444 . 0 0 "[ . 1]" 1
272 1 28 LEU QD 1 29 PHE H 4.960 . 4.960 3.681 2.912 3.866 . 0 0 "[ . 1]" 1
273 1 28 LEU QD 1 31 LYS H 5.860 . 5.860 4.421 3.528 4.668 . 0 0 "[ . 1]" 1
274 1 28 LEU QD 1 31 LYS QD 3.690 . 3.690 2.693 2.145 3.754 0.064 4 0 "[ . 1]" 1
275 1 28 LEU QD 1 31 LYS QE 4.600 . 4.600 3.420 2.165 4.179 . 0 0 "[ . 1]" 1
276 1 28 LEU MD1 1 29 PHE H 6.250 . 6.250 4.530 2.961 4.777 . 0 0 "[ . 1]" 1
277 1 28 LEU MD2 1 29 PHE H 6.250 . 6.250 4.002 3.772 4.315 . 0 0 "[ . 1]" 1
278 1 28 LEU HG 1 29 PHE H 6.230 . 6.230 4.964 4.822 5.082 . 0 0 "[ . 1]" 1
279 1 29 PHE H 1 30 GLU H 5.470 . 5.470 2.778 2.716 2.836 . 0 0 "[ . 1]" 1
280 1 29 PHE H 1 31 LYS H 6.250 . 6.250 4.168 4.114 4.228 . 0 0 "[ . 1]" 1
281 1 29 PHE HA 1 31 LYS H 5.780 . 5.780 4.191 4.015 4.336 . 0 0 "[ . 1]" 1
282 1 29 PHE HA 1 32 ALA H 5.980 . 5.980 3.304 3.160 3.438 . 0 0 "[ . 1]" 1
283 1 29 PHE HA 1 32 ALA MB 3.840 . 3.840 2.672 2.482 2.937 . 0 0 "[ . 1]" 1
284 1 29 PHE QB 1 31 LYS H 6.020 . 6.020 4.636 4.559 4.847 . 0 0 "[ . 1]" 1
285 1 29 PHE QB 1 32 ALA MB 5.170 . 5.170 4.157 3.845 4.307 . 0 0 "[ . 1]" 1
286 1 29 PHE HB2 1 32 ALA H 6.250 . 6.250 5.589 5.426 5.700 . 0 0 "[ . 1]" 1
287 1 29 PHE HB3 1 32 ALA H 6.250 . 6.250 5.317 5.123 5.613 . 0 0 "[ . 1]" 1
288 1 30 GLU H 1 31 LYS H 5.340 . 5.340 2.791 2.749 2.885 . 0 0 "[ . 1]" 1
289 1 30 GLU H 1 33 ILE HB 6.250 . 6.250 5.375 4.864 5.904 . 0 0 "[ . 1]" 1
290 1 30 GLU H 1 33 ILE MD 6.250 . 6.250 4.702 3.973 5.751 . 0 0 "[ . 1]" 1
291 1 30 GLU HA 1 33 ILE H 5.130 . 5.130 3.755 3.460 3.928 . 0 0 "[ . 1]" 1
292 1 30 GLU HA 1 33 ILE HB 3.970 . 3.970 3.049 2.830 3.464 . 0 0 "[ . 1]" 1
293 1 30 GLU HA 1 33 ILE MD 4.020 . 4.020 3.284 2.669 4.309 0.289 8 0 "[ . 1]" 1
294 1 30 GLU HA 1 33 ILE MG 5.050 . 5.050 4.278 3.842 4.728 . 0 0 "[ . 1]" 1
295 1 31 LYS H 1 31 LYS HD2 6.250 . 6.250 4.220 3.905 4.836 . 0 0 "[ . 1]" 1
296 1 31 LYS H 1 31 LYS HD3 6.250 . 6.250 4.577 3.994 4.933 . 0 0 "[ . 1]" 1
297 1 31 LYS H 1 31 LYS HE2 6.250 . 6.250 5.249 3.864 6.103 . 0 0 "[ . 1]" 1
298 1 31 LYS H 1 31 LYS QE 5.490 . 5.490 4.629 3.541 5.153 . 0 0 "[ . 1]" 1
299 1 31 LYS H 1 31 LYS HE3 6.250 . 6.250 5.360 4.113 5.853 . 0 0 "[ . 1]" 1
300 1 31 LYS H 1 34 GLN H 6.250 . 6.250 4.683 4.571 4.870 . 0 0 "[ . 1]" 1
301 1 31 LYS H 1 34 GLN QB 6.040 . 6.040 4.671 4.472 5.229 . 0 0 "[ . 1]" 1
302 1 31 LYS H 1 35 LEU QD 6.160 . 6.160 5.376 5.125 5.791 . 0 0 "[ . 1]" 1
303 1 31 LYS HA 1 31 LYS QD 4.470 . 4.470 4.024 3.936 4.156 . 0 0 "[ . 1]" 1
304 1 31 LYS HA 1 31 LYS HE2 6.250 . 6.250 5.344 4.508 5.999 . 0 0 "[ . 1]" 1
305 1 31 LYS HA 1 31 LYS QE 5.420 . 5.420 4.532 4.029 5.006 . 0 0 "[ . 1]" 1
306 1 31 LYS HA 1 31 LYS HE3 6.250 . 6.250 5.105 4.212 6.111 . 0 0 "[ . 1]" 1
307 1 31 LYS HA 1 32 ALA MB 5.000 . 5.000 5.018 5.000 5.033 0.033 10 0 "[ . 1]" 1
308 1 31 LYS HA 1 34 GLN H 4.610 . 4.610 3.485 3.190 3.809 . 0 0 "[ . 1]" 1
309 1 31 LYS HA 1 34 GLN HB2 4.960 . 4.960 3.103 2.515 4.048 . 0 0 "[ . 1]" 1
310 1 31 LYS HA 1 34 GLN HB3 4.960 . 4.960 2.967 2.397 4.347 . 0 0 "[ . 1]" 1
311 1 31 LYS HA 1 35 LEU QD 4.500 . 4.500 3.855 3.596 4.427 . 0 0 "[ . 1]" 1
312 1 31 LYS QB 1 31 LYS QD 2.780 . 2.780 2.181 2.122 2.263 . 0 0 "[ . 1]" 1
313 1 31 LYS QB 1 31 LYS QE 3.500 . 3.500 3.074 2.196 3.669 0.169 3 0 "[ . 1]" 1
314 1 31 LYS QB 1 32 ALA H 4.460 . 4.460 2.556 2.445 2.705 . 0 0 "[ . 1]" 1
315 1 31 LYS QB 1 32 ALA HA 4.480 . 4.480 3.876 3.836 3.937 . 0 0 "[ . 1]" 1
316 1 31 LYS QB 1 35 LEU QD 3.490 . 3.490 3.098 2.763 3.537 0.047 6 0 "[ . 1]" 1
317 1 31 LYS QE 1 31 LYS QG 3.270 . 3.270 2.313 2.148 2.485 . 0 0 "[ . 1]" 1
318 1 32 ALA H 1 32 ALA MB 3.520 . 3.520 2.214 2.181 2.231 . 0 0 "[ . 1]" 1
319 1 32 ALA H 1 33 ILE H 5.640 . 5.640 2.797 2.684 2.898 . 0 0 "[ . 1]" 1
320 1 32 ALA H 1 33 ILE HB 6.250 . 6.250 4.876 4.726 5.134 . 0 0 "[ . 1]" 1
321 1 32 ALA H 1 34 GLN H 6.250 . 6.250 4.056 3.856 4.268 . 0 0 "[ . 1]" 1
322 1 32 ALA H 1 35 LEU MD1 6.250 . 6.250 4.369 3.889 4.778 . 0 0 "[ . 1]" 1
323 1 32 ALA H 1 35 LEU MD2 6.250 . 6.250 5.839 4.709 6.424 0.174 5 0 "[ . 1]" 1
324 1 32 ALA HA 1 35 LEU H 6.250 . 6.250 3.562 3.260 3.742 . 0 0 "[ . 1]" 1
325 1 32 ALA HA 1 35 LEU HB2 4.690 . 4.690 2.949 2.344 3.359 . 0 0 "[ . 1]" 1
326 1 32 ALA HA 1 35 LEU HB3 4.770 . 4.770 4.527 3.905 4.896 0.126 6 0 "[ . 1]" 1
327 1 32 ALA HA 1 35 LEU QD 4.280 . 4.280 2.665 2.305 3.289 . 0 0 "[ . 1]" 1
328 1 32 ALA HA 1 36 ASP H 6.250 . 6.250 4.456 4.043 5.114 . 0 0 "[ . 1]" 1
329 1 32 ALA MB 1 33 ILE H 3.870 . 3.870 2.325 2.198 2.474 . 0 0 "[ . 1]" 1
330 1 32 ALA MB 1 35 LEU H 4.990 . 4.990 4.585 4.374 4.708 . 0 0 "[ . 1]" 1
331 1 33 ILE H 1 33 ILE HB 4.040 . 4.040 2.448 2.187 2.631 . 0 0 "[ . 1]" 1
332 1 33 ILE H 1 33 ILE MD 4.340 . 4.340 3.281 2.194 3.718 . 0 0 "[ . 1]" 1
333 1 33 ILE H 1 33 ILE QG . . 4.250 2.268 1.853 3.528 . 0 0 "[ . 1]" 1
334 1 33 ILE H 1 33 ILE MG 4.470 . 4.470 3.731 3.634 3.778 . 0 0 "[ . 1]" 1
335 1 33 ILE H 1 34 GLN H 5.720 . 5.720 2.699 2.564 2.756 . 0 0 "[ . 1]" 1
336 1 33 ILE H 1 35 LEU HB3 7.000 . 7.000 6.874 6.671 7.044 0.044 6 0 "[ . 1]" 1
337 1 33 ILE H 1 35 LEU MD1 6.500 2.050 6.500 5.194 4.872 5.361 . 0 0 "[ . 1]" 1
338 1 33 ILE H 1 35 LEU MD2 7.000 . 7.000 6.526 5.515 7.035 0.035 3 0 "[ . 1]" 1
339 1 33 ILE HA 1 33 ILE MD 4.380 . 4.380 3.496 2.110 3.868 . 0 0 "[ . 1]" 1
340 1 33 ILE HA 1 33 ILE QG . . 3.490 2.435 2.256 3.061 . 0 0 "[ . 1]" 1
341 1 33 ILE HA 1 33 ILE MG 3.610 . 3.610 2.465 2.336 2.718 . 0 0 "[ . 1]" 1
342 1 33 ILE HA 1 35 LEU H 5.770 . 5.770 4.205 3.944 4.478 . 0 0 "[ . 1]" 1
343 1 33 ILE HA 1 36 ASP H 4.850 . 4.850 3.356 3.045 3.689 . 0 0 "[ . 1]" 1
344 1 33 ILE HA 1 37 PRO HA 4.270 . 4.270 2.970 2.769 3.494 . 0 0 "[ . 1]" 1
345 1 33 ILE HB 1 33 ILE MD 3.120 . 3.120 2.430 2.290 3.220 0.100 8 0 "[ . 1]" 1
346 1 33 ILE HB 1 34 GLN H 4.690 . 4.690 2.737 2.469 2.947 . 0 0 "[ . 1]" 1
347 1 33 ILE MD 1 33 ILE MG 3.260 . 3.260 2.027 1.808 3.254 . 0 0 "[ . 1]" 1
348 1 33 ILE MD 1 34 GLN H 5.510 . 5.510 4.550 4.175 4.811 . 0 0 "[ . 1]" 1
349 1 33 ILE MD 1 42 TYR HB2 5.000 . 5.000 4.302 2.845 5.342 0.342 7 0 "[ . 1]" 1
350 1 33 ILE MD 1 42 TYR HB3 5.300 . 5.300 3.901 2.228 5.339 0.039 3 0 "[ . 1]" 1
351 1 33 ILE MD 1 43 TRP H 5.560 . 5.560 4.737 3.631 5.195 . 0 0 "[ . 1]" 1
352 1 33 ILE MD 1 43 TRP HA 3.430 . 3.430 3.516 3.161 3.753 0.323 6 0 "[ . 1]" 1
353 1 33 ILE MD 1 43 TRP HD1 6.190 . 6.190 4.452 2.779 5.724 . 0 0 "[ . 1]" 1
354 1 33 ILE MD 1 43 TRP HE1 6.250 . 6.250 3.809 2.333 5.196 . 0 0 "[ . 1]" 1
355 1 33 ILE MD 1 44 LEU H 6.250 . 6.250 6.220 5.434 6.471 0.221 4 0 "[ . 1]" 1
356 1 33 ILE MD 1 46 LYS H 5.760 . 5.760 5.225 4.227 5.633 . 0 0 "[ . 1]" 1
357 1 33 ILE MD 1 47 GLY H 7.000 . 7.000 6.599 5.931 7.135 0.135 6 0 "[ . 1]" 1
358 1 33 ILE QG 1 43 TRP H 6.040 . 6.040 5.095 4.671 5.544 . 0 0 "[ . 1]" 1
359 1 33 ILE QG 1 43 TRP HE1 6.040 . 6.040 3.931 2.674 5.323 . 0 0 "[ . 1]" 1
360 1 33 ILE MG 1 34 GLN H 4.640 . 4.640 3.402 2.833 3.878 . 0 0 "[ . 1]" 1
361 1 33 ILE MG 1 37 PRO HA 3.850 . 3.850 2.734 2.225 3.413 . 0 0 "[ . 1]" 1
362 1 33 ILE MG 1 37 PRO HB2 3.790 . 3.790 3.336 3.097 3.686 . 0 0 "[ . 1]" 1
363 1 33 ILE MG 1 37 PRO HD3 5.000 . 5.000 4.123 3.775 4.590 . 0 0 "[ . 1]" 1
364 1 33 ILE MG 1 43 TRP HE1 6.240 . 6.240 3.301 2.000 4.419 . 0 0 "[ . 1]" 1
365 1 33 ILE MG 1 65 TYR QE 5.200 . 5.200 4.953 3.985 5.416 0.216 1 0 "[ . 1]" 1
366 1 34 GLN H 1 35 LEU H 5.450 . 5.450 2.665 2.439 2.826 . 0 0 "[ . 1]" 1
367 1 34 GLN H 1 35 LEU HB3 6.000 . 6.000 6.137 5.902 6.323 0.323 6 0 "[ . 1]" 1
368 1 34 GLN H 1 36 ASP H 6.250 . 6.250 4.218 4.060 4.532 . 0 0 "[ . 1]" 1
369 1 34 GLN HA 1 36 ASP H 6.250 . 6.250 4.514 4.385 4.638 . 0 0 "[ . 1]" 1
370 1 35 LEU H 1 35 LEU MD1 4.570 . 4.570 2.836 2.179 3.501 . 0 0 "[ . 1]" 1
371 1 35 LEU H 1 35 LEU QD 3.930 . 3.930 2.710 2.162 3.256 . 0 0 "[ . 1]" 1
372 1 35 LEU H 1 35 LEU MD2 4.570 . 4.570 3.835 3.614 4.026 . 0 0 "[ . 1]" 1
373 1 35 LEU H 1 35 LEU HG 4.510 . 4.510 3.279 2.311 4.205 . 0 0 "[ . 1]" 1
374 1 35 LEU H 1 36 ASP H 4.900 . 4.900 2.598 2.501 2.771 . 0 0 "[ . 1]" 1
375 1 35 LEU HA 1 35 LEU QD 3.010 . 3.010 2.275 2.154 2.486 . 0 0 "[ . 1]" 1
376 1 35 LEU HA 1 35 LEU HG 3.860 . 3.860 2.564 2.329 2.870 . 0 0 "[ . 1]" 1
377 1 35 LEU HB2 1 36 ASP H 5.710 . 5.710 2.747 2.573 2.898 . 0 0 "[ . 1]" 1
378 1 35 LEU HB3 1 35 LEU MD1 3.330 . 3.330 2.866 2.483 3.233 . 0 0 "[ . 1]" 1
379 1 35 LEU HB3 1 35 LEU MD2 3.330 . 3.330 2.302 2.219 2.465 . 0 0 "[ . 1]" 1
380 1 35 LEU HB3 1 36 ASP H 5.440 . 5.440 3.383 3.060 3.649 . 0 0 "[ . 1]" 1
381 1 35 LEU QD 1 36 ASP H 5.170 . 5.170 4.005 3.846 4.161 . 0 0 "[ . 1]" 1
382 1 35 LEU MD1 1 36 ASP H 6.250 . 6.250 4.335 4.093 4.576 . 0 0 "[ . 1]" 1
383 1 35 LEU MD2 1 36 ASP H 6.250 . 6.250 4.725 4.558 4.830 . 0 0 "[ . 1]" 1
384 1 35 LEU HG 1 36 ASP H 6.250 . 6.250 4.779 4.329 5.076 . 0 0 "[ . 1]" 1
385 1 36 ASP H 1 37 PRO QD 5.330 . 5.330 3.506 3.140 3.748 . 0 0 "[ . 1]" 1
386 1 37 PRO HA 1 43 TRP HE1 6.250 . 6.250 3.863 2.798 6.316 0.066 4 0 "[ . 1]" 1
387 1 37 PRO HB2 1 38 GLU HA 5.830 . 5.830 4.498 3.856 4.809 . 0 0 "[ . 1]" 1
388 1 37 PRO HB2 1 65 TYR QE 5.880 . 5.880 4.359 3.160 5.483 . 0 0 "[ . 1]" 1
389 1 37 PRO HG3 1 38 GLU QB 6.000 . 6.000 5.767 5.013 6.175 0.175 1 0 "[ . 1]" 1
390 1 38 GLU H 1 39 GLU H 5.530 . 5.530 2.149 1.503 3.224 0.297 9 0 "[ . 1]" 1
391 1 38 GLU HA 1 70 ILE MD 3.220 . 3.220 3.375 3.215 3.528 0.308 1 0 "[ . 1]" 1
392 1 39 GLU H 1 40 SER H 6.250 . 6.250 4.065 3.572 4.360 . 0 0 "[ . 1]" 1
393 1 39 GLU H 1 70 ILE MD 6.250 . 6.250 4.649 3.883 5.156 . 0 0 "[ . 1]" 1
394 1 40 SER H 1 41 LYS H 6.130 . 6.130 2.693 2.614 2.791 . 0 0 "[ . 1]" 1
395 1 40 SER H 1 70 ILE MD 6.250 . 6.250 3.486 3.092 3.804 . 0 0 "[ . 1]" 1
396 1 40 SER H 1 70 ILE MG 6.250 . 6.250 5.212 4.635 5.775 . 0 0 "[ . 1]" 1
397 1 40 SER HA 1 42 TYR H 6.250 . 6.250 3.947 3.797 4.112 . 0 0 "[ . 1]" 1
398 1 40 SER HA 1 43 TRP H 6.250 . 6.250 3.065 2.985 3.214 . 0 0 "[ . 1]" 1
399 1 40 SER HA 1 43 TRP HB2 5.260 . 5.260 2.423 2.148 2.943 . 0 0 "[ . 1]" 1
400 1 40 SER HA 1 43 TRP QB 4.440 . 4.440 2.399 2.126 2.904 . 0 0 "[ . 1]" 1
401 1 40 SER HA 1 43 TRP HB3 5.260 . 5.260 3.893 3.040 4.442 . 0 0 "[ . 1]" 1
402 1 40 SER HA 1 43 TRP HD1 4.990 . 4.990 3.028 2.422 3.888 . 0 0 "[ . 1]" 1
403 1 40 SER HA 1 66 VAL HA 5.760 . 5.760 4.982 4.616 5.263 . 0 0 "[ . 1]" 1
404 1 40 SER HA 1 66 VAL MG1 4.240 . 4.240 3.469 3.189 3.794 . 0 0 "[ . 1]" 1
405 1 40 SER HA 1 66 VAL QG 3.510 . 3.510 2.841 2.610 3.135 . 0 0 "[ . 1]" 1
406 1 40 SER HA 1 66 VAL MG2 4.240 . 4.240 3.041 2.742 3.470 . 0 0 "[ . 1]" 1
407 1 40 SER HA 1 70 ILE MD 4.000 . 4.000 3.408 3.097 3.622 . 0 0 "[ . 1]" 1
408 1 40 SER QB 1 66 VAL QG 3.760 . 3.760 2.528 2.053 3.031 . 0 0 "[ . 1]" 1
409 1 41 LYS H 1 42 TYR H 5.710 . 5.710 2.828 2.785 2.909 . 0 0 "[ . 1]" 1
410 1 41 LYS H 1 42 TYR HA 6.250 . 6.250 5.435 5.382 5.497 . 0 0 "[ . 1]" 1
411 1 41 LYS H 1 43 TRP H 6.250 . 6.250 4.190 4.070 4.260 . 0 0 "[ . 1]" 1
412 1 41 LYS H 1 66 VAL MG1 6.250 . 6.250 5.483 5.189 5.688 . 0 0 "[ . 1]" 1
413 1 41 LYS H 1 66 VAL QG 5.490 . 5.490 4.969 4.823 5.120 . 0 0 "[ . 1]" 1
414 1 41 LYS H 1 66 VAL MG2 6.250 . 6.250 5.701 5.328 5.951 . 0 0 "[ . 1]" 1
415 1 41 LYS H 1 78 VAL MG2 6.250 . 6.250 5.920 5.519 6.089 . 0 0 "[ . 1]" 1
416 1 41 LYS HA 1 44 LEU HB2 5.000 . 5.000 3.405 2.940 3.844 . 0 0 "[ . 1]" 1
417 1 41 LYS HA 1 44 LEU MD1 5.200 . 5.200 4.701 3.500 5.277 0.077 4 0 "[ . 1]" 1
418 1 41 LYS HA 1 44 LEU QD 4.000 . 4.000 3.398 3.240 3.472 . 0 0 "[ . 1]" 1
419 1 41 LYS HA 1 44 LEU MD2 4.660 . 4.660 3.692 3.282 4.875 0.215 9 0 "[ . 1]" 1
420 1 41 LYS HA 1 44 LEU HG 5.500 . 5.500 5.289 4.950 5.590 0.090 10 0 "[ . 1]" 1
421 1 41 LYS HA 1 66 VAL MG1 5.990 . 5.990 5.868 5.240 6.206 0.216 3 0 "[ . 1]" 1
422 1 41 LYS HA 1 66 VAL MG2 5.990 . 5.990 5.869 5.525 6.140 0.150 4 0 "[ . 1]" 1
423 1 41 LYS QB 1 43 TRP H 6.040 . 6.040 4.722 4.531 4.821 . 0 0 "[ . 1]" 1
424 1 41 LYS QB 1 44 LEU QD 4.510 . 4.510 4.575 4.180 4.979 0.469 3 0 "[ . 1]" 1
425 1 41 LYS HB2 1 42 TYR H 6.250 . 6.250 3.202 2.586 3.997 . 0 0 "[ . 1]" 1
426 1 41 LYS HB3 1 42 TYR H 6.250 . 6.250 3.403 2.755 3.922 . 0 0 "[ . 1]" 1
427 1 42 TYR H 1 43 TRP H 5.230 . 5.230 2.438 2.368 2.531 . 0 0 "[ . 1]" 1
428 1 42 TYR H 1 43 TRP QB 6.040 . 6.040 4.262 4.055 4.742 . 0 0 "[ . 1]" 1
429 1 42 TYR H 1 44 LEU H 6.250 . 6.250 3.904 3.771 4.046 . 0 0 "[ . 1]" 1
430 1 42 TYR H 1 66 VAL MG1 7.000 . 7.000 6.498 6.113 6.737 . 0 0 "[ . 1]" 1
431 1 42 TYR H 1 66 VAL QG 5.400 . 5.400 5.426 5.282 5.563 0.163 4 0 "[ . 1]" 1
432 1 42 TYR H 1 66 VAL MG2 6.250 . 6.250 5.820 5.700 5.958 . 0 0 "[ . 1]" 1
433 1 42 TYR H 1 70 ILE MD 6.250 . 6.250 6.353 6.105 6.526 0.276 6 0 "[ . 1]" 1
434 1 42 TYR H 1 78 VAL MG2 7.000 . 7.000 7.009 6.735 7.198 0.198 8 0 "[ . 1]" 1
435 1 42 TYR HB2 1 43 TRP H 5.260 . 5.260 3.111 2.809 4.035 . 0 0 "[ . 1]" 1
436 1 42 TYR HB3 1 43 TRP H 6.200 . 6.200 3.598 3.416 3.842 . 0 0 "[ . 1]" 1
437 1 43 TRP H 1 43 TRP HD1 6.250 . 6.250 3.469 3.031 4.141 . 0 0 "[ . 1]" 1
438 1 43 TRP H 1 43 TRP HE1 6.250 . 6.250 5.476 4.695 6.165 . 0 0 "[ . 1]" 1
439 1 43 TRP H 1 44 LEU H 5.480 . 5.480 2.492 2.429 2.552 . 0 0 "[ . 1]" 1
440 1 43 TRP H 1 44 LEU HB3 6.250 . 6.250 4.653 4.523 5.051 . 0 0 "[ . 1]" 1
441 1 43 TRP H 1 45 MET H 6.250 . 6.250 4.191 4.058 4.373 . 0 0 "[ . 1]" 1
442 1 43 TRP H 1 46 LYS H 6.250 . 6.250 4.946 4.769 5.085 . 0 0 "[ . 1]" 1
443 1 43 TRP H 1 66 VAL QG 4.690 . 4.690 4.065 3.890 4.252 . 0 0 "[ . 1]" 1
444 1 43 TRP H 1 70 ILE MD 5.970 . 5.970 5.807 5.605 6.042 0.072 6 0 "[ . 1]" 1
445 1 43 TRP H 1 78 VAL QG 6.160 . 6.160 5.976 5.849 6.190 0.030 3 0 "[ . 1]" 1
446 1 43 TRP HA 1 43 TRP HD1 5.090 . 5.090 4.222 3.955 4.827 . 0 0 "[ . 1]" 1
447 1 43 TRP HA 1 46 LYS H 5.120 . 5.120 3.263 3.137 3.478 . 0 0 "[ . 1]" 1
448 1 43 TRP QB 1 66 VAL QG 3.100 . 3.100 1.989 1.891 2.411 . 0 0 "[ . 1]" 1
449 1 43 TRP HB2 1 44 LEU H 5.610 . 5.610 2.996 2.832 3.251 . 0 0 "[ . 1]" 1
450 1 43 TRP HB3 1 44 LEU H 5.610 . 5.610 3.476 3.060 4.150 . 0 0 "[ . 1]" 1
451 1 43 TRP HD1 1 66 VAL MG1 5.490 . 5.490 4.978 4.381 5.555 0.065 8 0 "[ . 1]" 1
452 1 43 TRP HD1 1 66 VAL QG 4.320 . 4.320 3.448 2.591 3.874 . 0 0 "[ . 1]" 1
453 1 43 TRP HD1 1 66 VAL MG2 5.490 . 5.490 3.521 2.610 3.981 . 0 0 "[ . 1]" 1
454 1 43 TRP HD1 1 70 ILE MD 4.330 . 4.330 4.075 3.509 4.455 0.125 10 0 "[ . 1]" 1
455 1 43 TRP HE1 1 65 TYR QB 6.040 . 6.040 5.843 4.426 6.443 0.403 7 0 "[ . 1]" 1
456 1 43 TRP HE1 1 65 TYR QD 6.250 . 6.250 4.329 3.205 4.745 . 0 0 "[ . 1]" 1
457 1 43 TRP HE1 1 65 TYR QE 5.600 . 5.600 3.041 2.413 3.769 . 0 0 "[ . 1]" 1
458 1 43 TRP HE1 1 66 VAL QG 6.160 . 6.160 4.818 4.505 5.078 . 0 0 "[ . 1]" 1
459 1 43 TRP HE1 1 69 VAL QG 6.160 . 6.160 4.792 4.276 5.222 . 0 0 "[ . 1]" 1
460 1 43 TRP HE1 1 70 ILE MD 5.970 . 5.970 5.183 3.782 5.699 . 0 0 "[ . 1]" 1
461 1 44 LEU H 1 44 LEU HB2 4.140 . 4.140 2.520 2.209 2.608 . 0 0 "[ . 1]" 1
462 1 44 LEU H 1 44 LEU MD1 5.240 . 5.240 4.118 4.070 4.251 . 0 0 "[ . 1]" 1
463 1 44 LEU H 1 44 LEU QD 4.470 . 4.470 3.720 3.704 3.741 . 0 0 "[ . 1]" 1
464 1 44 LEU H 1 44 LEU MD2 5.240 . 5.240 4.244 4.133 4.335 . 0 0 "[ . 1]" 1
465 1 44 LEU H 1 44 LEU HG 5.160 . 5.160 4.378 4.272 4.415 . 0 0 "[ . 1]" 1
466 1 44 LEU H 1 45 MET H 5.890 . 5.890 2.747 2.612 2.850 . 0 0 "[ . 1]" 1
467 1 44 LEU H 1 46 LYS H 6.250 . 6.250 4.201 4.091 4.289 . 0 0 "[ . 1]" 1
468 1 44 LEU H 1 47 GLY H 6.100 . 6.100 5.088 4.956 5.257 . 0 0 "[ . 1]" 1
469 1 44 LEU H 1 66 VAL QG 4.830 . 4.830 3.631 3.367 3.839 . 0 0 "[ . 1]" 1
470 1 44 LEU H 1 78 VAL QG 5.670 . 5.670 4.471 4.343 4.691 . 0 0 "[ . 1]" 1
471 1 44 LEU H 1 81 ALA MB 7.000 . 7.000 6.898 6.501 7.110 0.110 9 0 "[ . 1]" 1
472 1 44 LEU HA 1 44 LEU QD 4.100 . 4.100 2.429 2.123 3.061 . 0 0 "[ . 1]" 1
473 1 44 LEU HA 1 47 GLY H 6.250 . 6.250 3.679 3.564 3.834 . 0 0 "[ . 1]" 1
474 1 44 LEU HA 1 78 VAL QG 4.570 . 4.570 3.425 3.152 3.662 . 0 0 "[ . 1]" 1
475 1 44 LEU HB2 1 45 MET H 5.720 . 5.720 3.926 3.676 4.011 . 0 0 "[ . 1]" 1
476 1 44 LEU HB2 1 47 GLY H 6.250 . 6.250 5.965 5.856 6.179 . 0 0 "[ . 1]" 1
477 1 44 LEU HB2 1 78 VAL QG 3.410 . 3.410 2.865 2.728 3.139 . 0 0 "[ . 1]" 1
478 1 44 LEU HB3 1 44 LEU QD 3.130 . 3.130 2.218 2.080 2.333 . 0 0 "[ . 1]" 1
479 1 44 LEU HB3 1 45 MET H 5.350 . 5.350 2.651 2.565 2.743 . 0 0 "[ . 1]" 1
480 1 44 LEU HB3 1 46 LYS H 6.150 . 6.150 5.034 4.947 5.173 . 0 0 "[ . 1]" 1
481 1 44 LEU HB3 1 47 GLY H 5.820 . 5.820 5.809 5.718 5.942 0.122 9 0 "[ . 1]" 1
482 1 44 LEU HB3 1 48 LYS HE2 5.000 . 5.000 4.933 4.495 5.283 0.283 8 0 "[ . 1]" 1
483 1 44 LEU HB3 1 48 LYS QE 5.070 . 5.070 4.458 3.888 4.835 . 0 0 "[ . 1]" 1
484 1 44 LEU HB3 1 48 LYS HE3 5.500 . 5.500 5.272 4.024 5.736 0.236 9 0 "[ . 1]" 1
485 1 44 LEU HB3 1 78 VAL H 7.000 . 7.000 6.832 6.652 6.980 . 0 0 "[ . 1]" 1
486 1 44 LEU HB3 1 78 VAL MG1 6.000 . 6.000 6.023 5.629 6.177 0.177 8 0 "[ . 1]" 1
487 1 44 LEU HB3 1 78 VAL QG 4.000 . 4.000 4.179 4.093 4.242 0.242 2 0 "[ . 1]" 1
488 1 44 LEU HB3 1 78 VAL MG2 4.170 . 4.170 4.263 4.190 4.328 0.158 2 0 "[ . 1]" 1
489 1 44 LEU QD 1 45 MET H 4.600 . 4.600 3.661 3.079 3.878 . 0 0 "[ . 1]" 1
490 1 44 LEU QD 1 45 MET HA 3.820 . 3.820 3.640 2.637 4.013 0.193 1 0 "[ . 1]" 1
491 1 44 LEU QD 1 46 LYS H 5.790 . 5.790 4.994 4.725 5.297 . 0 0 "[ . 1]" 1
492 1 44 LEU QD 1 48 LYS QB 5.060 . 5.060 4.223 2.558 4.852 . 0 0 "[ . 1]" 1
493 1 44 LEU QD 1 48 LYS QE 3.810 . 3.810 2.249 1.916 2.921 . 0 0 "[ . 1]" 1
494 1 44 LEU QD 1 48 LYS QG 5.450 . 5.450 3.268 2.712 4.360 . 0 0 "[ . 1]" 1
495 1 44 LEU QD 1 77 ASP HA 5.470 . 5.470 3.909 3.499 4.111 . 0 0 "[ . 1]" 1
496 1 44 LEU QD 1 77 ASP QB 3.170 . 3.170 2.216 1.964 2.666 . 0 0 "[ . 1]" 1
497 1 44 LEU QD 1 78 VAL H 4.860 . 4.860 3.211 2.751 3.430 . 0 0 "[ . 1]" 1
498 1 44 LEU QD 1 78 VAL HA 3.250 . 3.250 2.298 2.046 2.829 . 0 0 "[ . 1]" 1
499 1 44 LEU QD 1 78 VAL HB 4.840 . 4.840 4.001 3.825 4.136 . 0 0 "[ . 1]" 1
500 1 44 LEU QD 1 81 ALA H 5.550 . 5.550 4.055 3.727 4.574 . 0 0 "[ . 1]" 1
501 1 44 LEU MD1 1 45 MET H 5.230 . 5.230 4.499 4.229 4.814 . 0 0 "[ . 1]" 1
502 1 44 LEU MD1 1 48 LYS H 6.250 . 6.250 4.693 3.790 6.212 . 0 0 "[ . 1]" 1
503 1 44 LEU MD1 1 77 ASP HB2 4.350 . 4.350 3.797 2.318 4.509 0.159 3 0 "[ . 1]" 1
504 1 44 LEU MD1 1 77 ASP HB3 4.350 . 4.350 3.043 2.162 3.976 . 0 0 "[ . 1]" 1
505 1 44 LEU MD1 1 78 VAL H 6.250 . 6.250 3.515 2.768 4.042 . 0 0 "[ . 1]" 1
506 1 44 LEU MD1 1 78 VAL HA 5.000 . 5.000 2.326 2.053 2.911 . 0 0 "[ . 1]" 1
507 1 44 LEU MD2 1 45 MET H 5.230 . 5.230 3.988 3.116 4.418 . 0 0 "[ . 1]" 1
508 1 44 LEU MD2 1 48 LYS H 6.250 . 6.250 5.337 3.663 6.091 . 0 0 "[ . 1]" 1
509 1 44 LEU MD2 1 77 ASP HB2 4.350 . 4.350 3.440 2.658 4.423 0.073 8 0 "[ . 1]" 1
510 1 44 LEU MD2 1 77 ASP HB3 4.350 . 4.350 2.749 2.143 3.809 . 0 0 "[ . 1]" 1
511 1 44 LEU MD2 1 78 VAL H 6.250 . 6.250 4.214 3.589 5.356 . 0 0 "[ . 1]" 1
512 1 44 LEU MD2 1 78 VAL HA 4.610 . 4.610 3.787 3.066 4.585 . 0 0 "[ . 1]" 1
513 1 44 LEU HG 1 45 MET H 6.250 . 6.250 3.888 3.465 4.742 . 0 0 "[ . 1]" 1
514 1 44 LEU HG 1 45 MET HA 4.980 . 4.980 3.885 3.328 5.236 0.256 9 0 "[ . 1]" 1
515 1 44 LEU HG 1 46 LYS H 6.250 . 6.250 5.619 5.427 6.188 . 0 0 "[ . 1]" 1
516 1 44 LEU HG 1 47 GLY H 6.250 . 6.250 5.386 4.932 5.577 . 0 0 "[ . 1]" 1
517 1 44 LEU HG 1 81 ALA MB 4.720 . 4.720 3.984 2.992 4.524 . 0 0 "[ . 1]" 1
518 1 45 MET H 1 46 LYS H 5.550 . 5.550 2.622 2.566 2.692 . 0 0 "[ . 1]" 1
519 1 45 MET H 1 47 GLY H 6.250 . 6.250 4.384 4.302 4.642 . 0 0 "[ . 1]" 1
520 1 45 MET H 1 78 VAL QG 6.140 . 6.140 5.797 5.646 5.966 . 0 0 "[ . 1]" 1
521 1 45 MET HA 1 48 LYS H 4.800 . 4.800 3.529 3.483 3.601 . 0 0 "[ . 1]" 1
522 1 45 MET HA 1 48 LYS QD 4.790 . 4.790 3.353 2.569 4.322 . 0 0 "[ . 1]" 1
523 1 45 MET HA 1 48 LYS QG 5.370 . 5.370 3.632 2.907 4.704 . 0 0 "[ . 1]" 1
524 1 46 LYS H 1 47 GLY H 5.510 . 5.510 2.868 2.778 3.029 . 0 0 "[ . 1]" 1
525 1 46 LYS H 1 48 LYS H 6.250 . 6.250 4.402 4.304 4.480 . 0 0 "[ . 1]" 1
526 1 47 GLY H 1 48 LYS H 5.820 . 5.820 2.873 2.846 2.904 . 0 0 "[ . 1]" 1
527 1 47 GLY H 1 50 LEU QD 6.160 . 6.160 4.309 4.069 4.598 . 0 0 "[ . 1]" 1
528 1 47 GLY H 1 59 ALA MB 6.250 . 6.250 5.511 5.331 5.699 . 0 0 "[ . 1]" 1
529 1 47 GLY H 1 62 CYS HB2 6.250 . 6.250 4.070 3.264 5.243 . 0 0 "[ . 1]" 1
530 1 47 GLY H 1 62 CYS HB3 6.250 . 6.250 3.532 2.739 4.333 . 0 0 "[ . 1]" 1
531 1 47 GLY QA 1 50 LEU QD 3.580 . 3.580 2.907 2.475 3.332 . 0 0 "[ . 1]" 1
532 1 47 GLY QA 1 59 ALA MB 3.920 . 3.920 3.083 2.911 3.306 . 0 0 "[ . 1]" 1
533 1 47 GLY HA2 1 59 ALA MB 4.490 . 4.490 3.250 3.072 3.527 . 0 0 "[ . 1]" 1
534 1 47 GLY HA3 1 59 ALA MB 4.490 . 4.490 3.833 3.611 3.996 . 0 0 "[ . 1]" 1
535 1 48 LYS H 1 48 LYS QD 6.040 . 6.040 3.844 2.291 4.733 . 0 0 "[ . 1]" 1
536 1 48 LYS H 1 48 LYS HE2 6.250 . 6.250 4.342 3.925 4.635 . 0 0 "[ . 1]" 1
537 1 48 LYS H 1 48 LYS QE 5.450 . 5.450 3.979 3.139 4.452 . 0 0 "[ . 1]" 1
538 1 48 LYS H 1 48 LYS HE3 6.250 . 6.250 4.889 3.260 5.958 . 0 0 "[ . 1]" 1
539 1 48 LYS H 1 48 LYS QG 4.930 . 4.930 2.501 1.950 3.884 . 0 0 "[ . 1]" 1
540 1 48 LYS H 1 49 ALA H 5.420 . 5.420 2.711 2.631 2.775 . 0 0 "[ . 1]" 1
541 1 48 LYS H 1 50 LEU QD 6.160 . 6.160 5.262 5.008 5.564 . 0 0 "[ . 1]" 1
542 1 48 LYS H 1 59 ALA MB 6.250 . 6.250 5.051 4.795 5.246 . 0 0 "[ . 1]" 1
543 1 48 LYS H 1 81 ALA MB 6.250 . 6.250 4.493 4.275 4.779 . 0 0 "[ . 1]" 1
544 1 48 LYS HA 1 48 LYS QD 4.700 . 4.700 3.838 2.596 4.121 . 0 0 "[ . 1]" 1
545 1 48 LYS HA 1 48 LYS QG 3.530 . 3.530 2.338 2.256 2.427 . 0 0 "[ . 1]" 1
546 1 48 LYS HA 1 51 TYR H 5.050 . 5.050 3.583 3.426 3.722 . 0 0 "[ . 1]" 1
547 1 48 LYS HA 1 51 TYR QB 3.870 . 3.870 2.460 2.373 2.568 . 0 0 "[ . 1]" 1
548 1 48 LYS HA 1 52 ASN H 6.250 . 6.250 3.828 3.719 3.939 . 0 0 "[ . 1]" 1
549 1 48 LYS HA 1 59 ALA MB 5.060 . 5.060 4.397 4.029 4.680 . 0 0 "[ . 1]" 1
550 1 48 LYS QB 1 48 LYS QD 3.330 . 3.330 2.208 2.126 2.487 . 0 0 "[ . 1]" 1
551 1 48 LYS QB 1 48 LYS QE 4.180 . 4.180 3.059 2.175 3.662 . 0 0 "[ . 1]" 1
552 1 48 LYS QB 1 52 ASN H 6.040 . 6.040 4.625 4.478 5.080 . 0 0 "[ . 1]" 1
553 1 48 LYS HB2 1 48 LYS HE2 5.740 . 5.740 3.881 2.240 4.531 . 0 0 "[ . 1]" 1
554 1 48 LYS HB2 1 48 LYS HE3 5.740 . 5.740 3.804 2.327 4.742 . 0 0 "[ . 1]" 1
555 1 48 LYS HB2 1 49 ALA H 6.160 . 6.160 2.914 2.641 3.725 . 0 0 "[ . 1]" 1
556 1 48 LYS HB3 1 48 LYS HE2 5.740 . 5.740 4.419 3.175 5.102 . 0 0 "[ . 1]" 1
557 1 48 LYS HB3 1 48 LYS HE3 5.740 . 5.740 4.324 3.204 4.923 . 0 0 "[ . 1]" 1
558 1 48 LYS HB3 1 49 ALA H 6.160 . 6.160 3.603 2.666 3.900 . 0 0 "[ . 1]" 1
559 1 48 LYS QE 1 48 LYS QG 3.070 . 3.070 2.312 2.166 2.639 . 0 0 "[ . 1]" 1
560 1 48 LYS QE 1 81 ALA MB 3.950 . 3.950 3.072 2.242 3.916 . 0 0 "[ . 1]" 1
561 1 48 LYS HE2 1 81 ALA MB 4.640 . 4.640 3.145 2.266 4.062 . 0 0 "[ . 1]" 1
562 1 48 LYS HE3 1 81 ALA MB 5.000 . 5.000 4.348 3.557 5.134 0.134 4 0 "[ . 1]" 1
563 1 48 LYS QG 1 81 ALA MB 4.530 . 4.530 2.935 2.369 3.830 . 0 0 "[ . 1]" 1
564 1 49 ALA H 1 50 LEU H 5.450 . 5.450 2.702 2.660 2.752 . 0 0 "[ . 1]" 1
565 1 49 ALA H 1 50 LEU HB3 6.250 . 6.250 6.131 6.066 6.212 . 0 0 "[ . 1]" 1
566 1 49 ALA H 1 50 LEU QD 6.160 . 6.160 4.451 3.729 4.790 . 0 0 "[ . 1]" 1
567 1 49 ALA H 1 59 ALA MB 6.250 . 6.250 5.380 5.062 5.662 . 0 0 "[ . 1]" 1
568 1 49 ALA MB 1 50 LEU QD 4.610 . 4.610 3.185 2.229 3.655 . 0 0 "[ . 1]" 1
569 1 50 LEU H 1 50 LEU MD1 4.780 . 4.780 3.114 2.044 3.803 . 0 0 "[ . 1]" 1
570 1 50 LEU H 1 50 LEU QD 4.020 . 4.020 2.765 1.958 3.151 . 0 0 "[ . 1]" 1
571 1 50 LEU H 1 50 LEU MD2 4.780 . 4.780 3.517 1.964 3.869 . 0 0 "[ . 1]" 1
572 1 50 LEU H 1 50 LEU HG 5.040 . 5.040 2.784 2.216 3.959 . 0 0 "[ . 1]" 1
573 1 50 LEU H 1 51 TYR H 5.790 . 5.790 2.690 2.640 2.722 . 0 0 "[ . 1]" 1
574 1 50 LEU H 1 51 TYR HA 6.250 . 6.250 5.298 5.264 5.323 . 0 0 "[ . 1]" 1
575 1 50 LEU H 1 59 ALA MB 5.600 . 5.600 4.057 3.918 4.262 . 0 0 "[ . 1]" 1
576 1 50 LEU HA 1 50 LEU QD 2.960 . 2.960 2.191 2.006 2.247 . 0 0 "[ . 1]" 1
577 1 50 LEU HA 1 53 LEU H 5.270 . 5.270 3.452 3.396 3.532 . 0 0 "[ . 1]" 1
578 1 50 LEU HA 1 53 LEU QB 4.720 . 4.720 2.397 2.291 2.545 . 0 0 "[ . 1]" 1
579 1 50 LEU HA 1 53 LEU QD 4.810 . 4.810 2.630 2.290 3.160 . 0 0 "[ . 1]" 1
580 1 50 LEU HB2 1 51 TYR H 5.810 . 5.810 2.630 2.457 2.813 . 0 0 "[ . 1]" 1
581 1 50 LEU HB2 1 55 ARG H 5.740 . 5.740 5.646 5.466 5.817 0.077 7 0 "[ . 1]" 1
582 1 50 LEU HB2 1 55 ARG QB 4.400 . 4.400 3.862 3.759 3.990 . 0 0 "[ . 1]" 1
583 1 50 LEU HB2 1 55 ARG QG 5.500 . 5.500 5.310 4.921 5.759 0.259 6 0 "[ . 1]" 1
584 1 50 LEU HB2 1 59 ALA H 5.980 . 5.980 3.819 3.561 4.110 . 0 0 "[ . 1]" 1
585 1 50 LEU HB2 1 59 ALA MB 3.330 . 3.330 2.603 2.440 2.826 . 0 0 "[ . 1]" 1
586 1 50 LEU HB3 1 59 ALA MB 3.200 . 3.200 2.682 2.367 2.840 . 0 0 "[ . 1]" 1
587 1 50 LEU QD 1 54 GLU H 6.160 . 6.160 6.167 5.738 6.337 0.177 2 0 "[ . 1]" 1
588 1 50 LEU QD 1 55 ARG H 4.960 . 4.960 4.877 4.480 5.299 0.339 3 0 "[ . 1]" 1
589 1 50 LEU QD 1 55 ARG HA 5.500 . 5.500 5.185 4.716 5.650 0.150 3 0 "[ . 1]" 1
590 1 50 LEU QD 1 55 ARG QB 3.920 . 3.920 2.833 2.242 3.366 . 0 0 "[ . 1]" 1
591 1 50 LEU QD 1 55 ARG QD 4.740 . 4.740 3.544 1.995 4.953 0.213 2 0 "[ . 1]" 1
592 1 50 LEU QD 1 55 ARG QG 5.200 . 5.200 3.327 2.393 4.465 . 0 0 "[ . 1]" 1
593 1 50 LEU QD 1 58 GLU H 6.160 . 6.160 4.448 4.185 4.730 . 0 0 "[ . 1]" 1
594 1 50 LEU QD 1 59 ALA HA 3.850 . 3.850 2.643 2.348 3.723 . 0 0 "[ . 1]" 1
595 1 50 LEU QD 1 59 ALA MB 3.370 . 3.370 3.488 3.332 3.823 0.453 4 0 "[ . 1]" 1
596 1 50 LEU QD 1 60 VAL H 6.150 . 6.150 4.975 4.613 5.819 . 0 0 "[ . 1]" 1
597 1 50 LEU MD1 1 51 TYR H 6.250 . 6.250 4.363 4.083 4.730 . 0 0 "[ . 1]" 1
598 1 50 LEU MD1 1 59 ALA H 6.250 . 6.250 4.098 3.574 5.383 . 0 0 "[ . 1]" 1
599 1 50 LEU MD1 1 59 ALA MB 4.240 . 4.240 3.841 3.482 4.423 0.183 2 0 "[ . 1]" 1
600 1 50 LEU MD2 1 51 TYR H 6.250 . 6.250 4.676 4.017 4.798 . 0 0 "[ . 1]" 1
601 1 50 LEU MD2 1 59 ALA H 6.250 . 6.250 4.206 3.276 5.293 . 0 0 "[ . 1]" 1
602 1 50 LEU MD2 1 59 ALA MB 4.240 . 4.240 4.209 3.554 4.436 0.196 5 0 "[ . 1]" 1
603 1 50 LEU HG 1 59 ALA HA 5.160 . 5.160 4.362 3.422 4.654 . 0 0 "[ . 1]" 1
604 1 51 TYR H 1 52 ASN H 5.840 . 5.840 2.805 2.737 2.867 . 0 0 "[ . 1]" 1
605 1 51 TYR H 1 53 LEU H 6.250 . 6.250 3.906 3.859 3.932 . 0 0 "[ . 1]" 1
606 1 51 TYR H 1 59 ALA MB 4.320 . 4.320 2.455 2.293 2.691 . 0 0 "[ . 1]" 1
607 1 51 TYR H 1 85 ALA MB 6.250 . 6.250 5.269 4.905 5.734 . 0 0 "[ . 1]" 1
608 1 51 TYR HA 1 51 TYR QD 4.510 . 4.510 2.677 2.374 2.940 . 0 0 "[ . 1]" 1
609 1 51 TYR HA 1 51 TYR QE 5.650 . 5.650 4.730 4.613 4.847 . 0 0 "[ . 1]" 1
610 1 51 TYR HA 1 54 GLU H 6.000 . 6.000 4.003 3.814 4.220 . 0 0 "[ . 1]" 1
611 1 51 TYR HA 1 55 ARG H 5.580 . 5.580 3.253 2.967 3.544 . 0 0 "[ . 1]" 1
612 1 51 TYR HA 1 56 TYR QD 4.920 . 4.920 4.193 3.896 4.341 . 0 0 "[ . 1]" 1
613 1 51 TYR HA 1 59 ALA MB 5.000 . 5.000 2.391 2.225 2.560 . 0 0 "[ . 1]" 1
614 1 51 TYR QB 1 56 TYR QD 5.740 . 5.740 4.579 4.425 4.775 . 0 0 "[ . 1]" 1
615 1 51 TYR QB 1 59 ALA MB 5.250 . 5.250 2.198 2.053 2.332 . 0 0 "[ . 1]" 1
616 1 51 TYR HB2 1 52 ASN H 6.250 . 6.250 3.956 3.901 3.990 . 0 0 "[ . 1]" 1
617 1 51 TYR HB3 1 52 ASN H 6.250 . 6.250 2.589 2.504 2.655 . 0 0 "[ . 1]" 1
618 1 51 TYR QD 1 56 TYR H 6.200 . 6.200 4.808 4.540 5.065 . 0 0 "[ . 1]" 1
619 1 51 TYR QD 1 59 ALA MB 5.050 . 5.050 3.494 3.331 3.699 . 0 0 "[ . 1]" 1
620 1 51 TYR QD 1 85 ALA HA 4.260 . 4.260 2.505 2.347 2.906 . 0 0 "[ . 1]" 1
621 1 51 TYR QD 1 85 ALA MB 4.280 . 4.280 2.849 2.558 3.326 . 0 0 "[ . 1]" 1
622 1 51 TYR QE 1 56 TYR H 6.210 . 6.210 6.089 5.995 6.260 0.050 8 0 "[ . 1]" 1
623 1 51 TYR QE 1 56 TYR HA 5.680 . 5.680 4.964 4.761 5.473 . 0 0 "[ . 1]" 1
624 1 51 TYR QE 1 85 ALA HA 4.110 . 4.110 2.522 2.335 3.017 . 0 0 "[ . 1]" 1
625 1 51 TYR QE 1 85 ALA MB 5.220 . 5.220 3.917 3.742 4.312 . 0 0 "[ . 1]" 1
626 1 52 ASN H 1 53 LEU H 5.560 . 5.560 2.619 2.594 2.658 . 0 0 "[ . 1]" 1
627 1 52 ASN H 1 59 ALA MB 6.250 . 6.250 4.516 4.379 4.735 . 0 0 "[ . 1]" 1
628 1 52 ASN QB 1 54 GLU H 5.990 . 5.990 4.390 4.277 4.468 . 0 0 "[ . 1]" 1
629 1 53 LEU H 1 53 LEU MD1 4.980 . 4.980 3.212 2.437 3.575 . 0 0 "[ . 1]" 1
630 1 53 LEU H 1 53 LEU QD 4.260 . 4.260 3.044 2.420 3.302 . 0 0 "[ . 1]" 1
631 1 53 LEU H 1 53 LEU MD2 4.980 . 4.980 3.998 3.844 4.147 . 0 0 "[ . 1]" 1
632 1 53 LEU H 1 53 LEU HG 4.870 . 4.870 3.171 2.620 4.236 . 0 0 "[ . 1]" 1
633 1 53 LEU H 1 54 GLU H 5.340 . 5.340 2.693 2.615 2.784 . 0 0 "[ . 1]" 1
634 1 53 LEU H 1 55 ARG H 6.120 . 6.120 3.440 3.331 3.568 . 0 0 "[ . 1]" 1
635 1 53 LEU HA 1 53 LEU MD1 4.250 . 4.250 3.394 2.375 3.823 . 0 0 "[ . 1]" 1
636 1 53 LEU HA 1 53 LEU QD 2.840 . 2.840 2.243 2.137 2.463 . 0 0 "[ . 1]" 1
637 1 53 LEU HA 1 53 LEU MD2 4.250 . 4.250 2.649 2.148 3.736 . 0 0 "[ . 1]" 1
638 1 53 LEU HA 1 55 ARG QG 4.470 . 4.470 4.179 3.981 4.617 0.147 6 0 "[ . 1]" 1
639 1 53 LEU QB 1 55 ARG H 5.940 . 5.940 3.217 3.001 3.442 . 0 0 "[ . 1]" 1
640 1 53 LEU QB 1 55 ARG QB 4.640 . 4.640 3.410 3.213 3.612 . 0 0 "[ . 1]" 1
641 1 53 LEU QB 1 55 ARG QD 4.940 . 4.940 3.284 2.502 4.175 . 0 0 "[ . 1]" 1
642 1 53 LEU HB2 1 54 GLU H 6.250 . 6.250 3.842 3.646 4.042 . 0 0 "[ . 1]" 1
643 1 53 LEU HB3 1 54 GLU H 6.250 . 6.250 4.237 4.165 4.326 . 0 0 "[ . 1]" 1
644 1 53 LEU QD 1 55 ARG H 6.160 . 6.160 4.632 4.462 4.812 . 0 0 "[ . 1]" 1
645 1 53 LEU QD 1 55 ARG QG 3.850 . 3.850 3.412 3.178 3.763 . 0 0 "[ . 1]" 1
646 1 53 LEU MD1 1 54 GLU H 6.250 . 6.250 5.018 4.284 5.406 . 0 0 "[ . 1]" 1
647 1 53 LEU MD2 1 54 GLU H 6.250 . 6.250 5.040 4.751 5.577 . 0 0 "[ . 1]" 1
648 1 54 GLU H 1 55 ARG H 5.310 . 5.310 2.482 2.371 2.555 . 0 0 "[ . 1]" 1
649 1 54 GLU H 1 55 ARG QD 6.040 . 6.040 5.252 4.701 5.823 . 0 0 "[ . 1]" 1
650 1 54 GLU H 1 55 ARG QG 6.040 . 6.040 3.880 3.588 4.443 . 0 0 "[ . 1]" 1
651 1 55 ARG H 1 55 ARG QD 5.500 . 5.500 3.622 3.008 4.069 . 0 0 "[ . 1]" 1
652 1 55 ARG H 1 55 ARG QG 4.800 . 4.800 2.254 1.997 2.546 . 0 0 "[ . 1]" 1
653 1 55 ARG H 1 56 TYR H 6.080 . 6.080 3.559 3.408 3.962 . 0 0 "[ . 1]" 1
654 1 55 ARG HA 1 55 ARG QG 3.380 . 3.380 2.852 2.349 3.138 . 0 0 "[ . 1]" 1
655 1 55 ARG QG 1 56 TYR H 6.010 . 6.010 4.662 4.454 4.857 . 0 0 "[ . 1]" 1
656 1 56 TYR H 1 56 TYR QE 6.030 . 6.030 3.637 3.558 3.805 . 0 0 "[ . 1]" 1
657 1 56 TYR H 1 57 GLU H 5.430 . 5.430 2.686 2.417 2.738 . 0 0 "[ . 1]" 1
658 1 56 TYR H 1 58 GLU H 6.250 . 6.250 4.383 4.192 4.445 . 0 0 "[ . 1]" 1
659 1 56 TYR H 1 59 ALA H 6.250 . 6.250 4.661 4.566 4.770 . 0 0 "[ . 1]" 1
660 1 56 TYR H 1 85 ALA MB 6.250 . 6.250 5.360 5.160 5.624 . 0 0 "[ . 1]" 1
661 1 56 TYR H 1 89 ILE MD 6.250 . 6.250 6.008 5.689 6.291 0.041 3 0 "[ . 1]" 1
662 1 56 TYR H 1 89 ILE QG 6.250 . 6.250 5.858 5.340 6.260 0.010 7 0 "[ . 1]" 1
663 1 56 TYR HA 1 56 TYR QD 4.170 . 4.170 2.927 2.701 3.069 . 0 0 "[ . 1]" 1
664 1 56 TYR HA 1 58 GLU H 6.250 . 6.250 4.745 4.643 4.816 . 0 0 "[ . 1]" 1
665 1 56 TYR HA 1 59 ALA H 4.850 . 4.850 3.652 3.541 3.776 . 0 0 "[ . 1]" 1
666 1 56 TYR HA 1 59 ALA MB 3.680 . 3.680 2.539 2.301 2.751 . 0 0 "[ . 1]" 1
667 1 56 TYR HA 1 60 VAL H 6.250 . 6.250 4.066 3.670 4.265 . 0 0 "[ . 1]" 1
668 1 56 TYR HA 1 85 ALA MB 3.800 . 3.800 2.983 2.854 3.229 . 0 0 "[ . 1]" 1
669 1 56 TYR QB 1 57 GLU H 4.100 . 4.100 2.600 2.542 2.725 . 0 0 "[ . 1]" 1
670 1 56 TYR QB 1 85 ALA MB 4.090 . 4.090 3.099 2.760 3.353 . 0 0 "[ . 1]" 1
671 1 56 TYR QB 1 89 ILE QG 4.500 . 4.500 3.123 2.574 3.654 . 0 0 "[ . 1]" 1
672 1 56 TYR HB2 1 57 GLU H 4.730 . 4.730 2.640 2.580 2.771 . 0 0 "[ . 1]" 1
673 1 56 TYR HB2 1 85 ALA MB 4.850 . 4.850 4.588 4.204 4.831 . 0 0 "[ . 1]" 1
674 1 56 TYR HB2 1 89 ILE HB 4.720 . 4.720 4.192 3.841 4.515 . 0 0 "[ . 1]" 1
675 1 56 TYR HB2 1 89 ILE MD 4.200 . 4.200 3.704 3.311 4.099 . 0 0 "[ . 1]" 1
676 1 56 TYR HB3 1 57 GLU H 4.730 . 4.730 3.905 3.819 4.028 . 0 0 "[ . 1]" 1
677 1 56 TYR HB3 1 85 ALA MB 4.850 . 4.850 3.152 2.799 3.420 . 0 0 "[ . 1]" 1
678 1 56 TYR HB3 1 89 ILE HB 4.720 . 4.720 3.522 3.223 3.800 . 0 0 "[ . 1]" 1
679 1 56 TYR HB3 1 89 ILE MD 4.200 . 4.200 3.539 2.986 3.898 . 0 0 "[ . 1]" 1
680 1 56 TYR QD 1 59 ALA MB 4.960 . 4.960 4.510 4.201 4.745 . 0 0 "[ . 1]" 1
681 1 56 TYR QD 1 85 ALA HA 4.230 . 4.230 2.724 2.369 3.228 . 0 0 "[ . 1]" 1
682 1 56 TYR QD 1 85 ALA MB 4.350 . 4.350 3.365 2.971 3.709 . 0 0 "[ . 1]" 1
683 1 56 TYR QD 1 88 TYR QB 4.620 . 4.620 2.993 2.395 3.515 . 0 0 "[ . 1]" 1
684 1 56 TYR QD 1 89 ILE MD 5.740 . 5.740 4.889 4.486 5.212 . 0 0 "[ . 1]" 1
685 1 57 GLU H 1 58 GLU H 5.240 . 5.240 2.716 2.677 2.763 . 0 0 "[ . 1]" 1
686 1 57 GLU H 1 60 VAL HB 6.250 . 6.250 5.363 5.127 5.687 . 0 0 "[ . 1]" 1
687 1 57 GLU H 1 85 ALA MB 6.250 . 6.250 5.638 5.297 5.892 . 0 0 "[ . 1]" 1
688 1 57 GLU H 1 89 ILE MD 4.870 . 4.870 4.933 4.844 5.052 0.182 10 0 "[ . 1]" 1
689 1 57 GLU H 1 89 ILE QG 6.250 . 6.250 5.094 4.831 5.811 . 0 0 "[ . 1]" 1
690 1 57 GLU HA 1 60 VAL H 5.020 . 5.020 3.714 3.590 3.856 . 0 0 "[ . 1]" 1
691 1 57 GLU HA 1 60 VAL HB 4.360 . 4.360 3.064 2.756 3.458 . 0 0 "[ . 1]" 1
692 1 57 GLU HA 1 61 ASP H 6.250 . 6.250 4.670 4.095 5.204 . 0 0 "[ . 1]" 1
693 1 57 GLU HA 1 89 ILE MD 4.000 . 4.000 3.916 3.678 4.058 0.058 5 0 "[ . 1]" 1
694 1 58 GLU H 1 59 ALA H 5.410 . 5.410 2.658 2.580 2.736 . 0 0 "[ . 1]" 1
695 1 58 GLU H 1 60 VAL HB 5.450 . 5.450 5.212 5.092 5.381 . 0 0 "[ . 1]" 1
696 1 58 GLU H 1 60 VAL MG1 6.550 . 6.550 6.371 6.259 6.529 . 0 0 "[ . 1]" 1
697 1 58 GLU H 1 60 VAL MG2 6.030 . 6.030 5.405 5.304 5.526 . 0 0 "[ . 1]" 1
698 1 58 GLU H 1 85 ALA MB 6.500 . 6.500 6.526 6.282 6.647 0.147 9 0 "[ . 1]" 1
699 1 58 GLU HA 1 59 ALA HA 4.990 . 4.990 4.829 4.798 4.861 . 0 0 "[ . 1]" 1
700 1 58 GLU HA 1 61 ASP H 5.750 . 5.750 3.355 3.196 3.552 . 0 0 "[ . 1]" 1
701 1 58 GLU HA 1 61 ASP QB 3.830 . 3.830 2.952 2.650 3.405 . 0 0 "[ . 1]" 1
702 1 58 GLU HA 1 62 CYS H 6.250 . 6.250 4.721 3.977 5.132 . 0 0 "[ . 1]" 1
703 1 59 ALA H 1 60 VAL HB 5.560 . 5.560 4.777 4.710 4.823 . 0 0 "[ . 1]" 1
704 1 59 ALA H 1 60 VAL MG2 4.930 . 4.930 4.499 4.401 4.590 . 0 0 "[ . 1]" 1
705 1 59 ALA H 1 61 ASP H 6.250 . 6.250 4.152 4.099 4.201 . 0 0 "[ . 1]" 1
706 1 59 ALA H 1 85 ALA MB 5.670 . 5.670 5.064 4.955 5.207 . 0 0 "[ . 1]" 1
707 1 59 ALA HA 1 62 CYS H 5.860 . 5.860 3.472 3.388 3.558 . 0 0 "[ . 1]" 1
708 1 59 ALA MB 1 60 VAL H 3.530 . 3.530 2.492 2.341 2.621 . 0 0 "[ . 1]" 1
709 1 59 ALA MB 1 60 VAL HB 4.480 . 4.480 4.455 4.365 4.530 0.050 3 0 "[ . 1]" 1
710 1 59 ALA MB 1 61 ASP H 6.250 . 6.250 4.458 4.404 4.527 . 0 0 "[ . 1]" 1
711 1 59 ALA MB 1 63 TYR H 6.250 . 6.250 4.661 4.342 4.886 . 0 0 "[ . 1]" 1
712 1 59 ALA MB 1 85 ALA H 6.250 . 6.250 5.354 5.100 5.477 . 0 0 "[ . 1]" 1
713 1 59 ALA MB 1 85 ALA MB 3.290 . 3.290 2.820 2.668 2.966 . 0 0 "[ . 1]" 1
714 1 60 VAL H 1 60 VAL HB 3.770 . 3.770 2.346 2.306 2.417 . 0 0 "[ . 1]" 1
715 1 60 VAL H 1 60 VAL MG1 4.350 . 4.350 3.731 3.716 3.747 . 0 0 "[ . 1]" 1
716 1 60 VAL H 1 60 VAL MG2 3.290 . 3.290 2.358 2.217 2.456 . 0 0 "[ . 1]" 1
717 1 60 VAL H 1 61 ASP H 5.430 . 5.430 2.712 2.645 2.757 . 0 0 "[ . 1]" 1
718 1 60 VAL H 1 61 ASP QB 6.040 . 6.040 4.636 4.451 4.858 . 0 0 "[ . 1]" 1
719 1 60 VAL H 1 62 CYS H 6.250 . 6.250 4.225 4.131 4.334 . 0 0 "[ . 1]" 1
720 1 60 VAL H 1 85 ALA MB 5.350 . 5.350 4.071 3.930 4.191 . 0 0 "[ . 1]" 1
721 1 60 VAL H 1 89 ILE MD 6.250 . 6.250 5.541 5.120 5.843 . 0 0 "[ . 1]" 1
722 1 60 VAL HA 1 60 VAL MG1 3.420 . 3.420 2.500 2.434 2.543 . 0 0 "[ . 1]" 1
723 1 60 VAL HA 1 60 VAL MG2 3.280 . 3.280 2.299 2.247 2.339 . 0 0 "[ . 1]" 1
724 1 60 VAL HA 1 63 TYR H 5.040 . 5.040 3.385 3.191 3.629 . 0 0 "[ . 1]" 1
725 1 60 VAL HA 1 63 TYR QD 4.570 . 4.570 2.836 2.211 4.079 . 0 0 "[ . 1]" 1
726 1 60 VAL HB 1 61 ASP H 4.750 . 4.750 2.819 2.657 2.984 . 0 0 "[ . 1]" 1
727 1 60 VAL HB 1 85 ALA MB 5.000 . 5.000 4.926 4.664 5.093 0.093 7 0 "[ . 1]" 1
728 1 60 VAL HB 1 89 ILE MD 5.670 . 5.670 4.659 4.090 5.011 . 0 0 "[ . 1]" 1
729 1 60 VAL MG1 1 61 ASP H 3.970 . 3.970 3.304 3.190 3.426 . 0 0 "[ . 1]" 1
730 1 60 VAL MG1 1 62 CYS H 6.250 . 6.250 4.809 4.725 4.918 . 0 0 "[ . 1]" 1
731 1 60 VAL MG1 1 63 TYR H 6.250 . 6.250 4.632 4.372 4.986 . 0 0 "[ . 1]" 1
732 1 60 VAL MG1 1 63 TYR QD 5.250 . 5.250 3.713 2.926 4.360 . 0 0 "[ . 1]" 1
733 1 60 VAL MG1 1 64 ASN H 5.280 . 5.280 3.647 3.336 4.149 . 0 0 "[ . 1]" 1
734 1 60 VAL MG1 1 82 LYS HD2 4.940 . 4.940 4.377 3.385 5.127 0.187 6 0 "[ . 1]" 1
735 1 60 VAL MG1 1 82 LYS QD 4.260 . 4.260 4.051 3.328 4.340 0.080 9 0 "[ . 1]" 1
736 1 60 VAL MG1 1 82 LYS HD3 4.940 . 4.940 4.956 4.300 5.159 0.219 1 0 "[ . 1]" 1
737 1 60 VAL MG1 1 82 LYS HG3 4.850 . 4.850 3.893 3.540 4.416 . 0 0 "[ . 1]" 1
738 1 60 VAL MG2 1 61 ASP H 4.760 . 4.760 4.073 3.976 4.135 . 0 0 "[ . 1]" 1
739 1 60 VAL MG2 1 63 TYR H 6.250 . 6.250 5.099 4.973 5.247 . 0 0 "[ . 1]" 1
740 1 60 VAL MG2 1 63 TYR QB 5.300 . 5.300 4.030 3.835 4.176 . 0 0 "[ . 1]" 1
741 1 60 VAL MG2 1 63 TYR QD 5.000 . 5.000 3.798 3.106 4.731 . 0 0 "[ . 1]" 1
742 1 60 VAL MG2 1 82 LYS H 7.000 . 7.000 6.517 6.191 6.737 . 0 0 "[ . 1]" 1
743 1 60 VAL MG2 1 82 LYS HA 4.650 . 4.650 4.279 3.922 4.525 . 0 0 "[ . 1]" 1
744 1 60 VAL MG2 1 82 LYS HD2 4.860 . 4.860 4.536 3.881 4.918 0.058 9 0 "[ . 1]" 1
745 1 60 VAL MG2 1 82 LYS QD 4.210 . 4.210 4.040 2.657 4.404 0.194 10 0 "[ . 1]" 1
746 1 60 VAL MG2 1 82 LYS HD3 4.860 . 4.860 4.701 2.696 5.103 0.243 8 0 "[ . 1]" 1
747 1 60 VAL MG2 1 82 LYS HG2 4.330 . 4.330 3.461 3.117 3.745 . 0 0 "[ . 1]" 1
748 1 60 VAL MG2 1 82 LYS HG3 4.000 . 4.000 3.234 2.673 4.243 0.243 6 0 "[ . 1]" 1
749 1 60 VAL MG2 1 85 ALA MB 2.840 . 2.840 2.615 2.378 2.748 . 0 0 "[ . 1]" 1
750 1 60 VAL MG2 1 86 LEU H 4.960 . 4.960 4.584 4.397 4.773 . 0 0 "[ . 1]" 1
751 1 60 VAL MG2 1 86 LEU MD1 4.150 . 4.150 3.729 2.439 4.205 0.055 5 0 "[ . 1]" 1
752 1 60 VAL MG2 1 86 LEU QD 2.980 . 2.980 2.646 2.367 3.014 0.034 6 0 "[ . 1]" 1
753 1 60 VAL MG2 1 86 LEU MD2 4.150 . 4.150 3.030 2.388 4.217 0.067 1 0 "[ . 1]" 1
754 1 60 VAL MG2 1 86 LEU HG 4.790 . 4.790 3.732 3.422 4.378 . 0 0 "[ . 1]" 1
755 1 60 VAL MG2 1 89 ILE MD 3.290 . 3.290 2.939 2.414 3.314 0.024 2 0 "[ . 1]" 1
756 1 61 ASP H 1 61 ASP QB 3.590 . 3.590 2.384 2.225 2.599 . 0 0 "[ . 1]" 1
757 1 61 ASP H 1 62 CYS H 5.300 . 5.300 2.711 2.654 2.754 . 0 0 "[ . 1]" 1
758 1 61 ASP H 1 63 TYR QB 5.550 . 5.550 5.194 4.948 5.424 . 0 0 "[ . 1]" 1
759 1 61 ASP H 1 64 ASN H 6.250 . 6.250 4.796 4.672 4.945 . 0 0 "[ . 1]" 1
760 1 61 ASP HA 1 64 ASN H 5.190 . 5.190 3.687 3.623 3.771 . 0 0 "[ . 1]" 1
761 1 61 ASP HA 1 65 TYR H 5.550 . 5.550 4.229 3.838 4.988 . 0 0 "[ . 1]" 1
762 1 61 ASP HB2 1 62 CYS H 5.360 . 5.360 3.315 2.683 3.959 . 0 0 "[ . 1]" 1
763 1 61 ASP HB3 1 62 CYS H 5.360 . 5.360 3.261 2.671 3.904 . 0 0 "[ . 1]" 1
764 1 62 CYS H 1 64 ASN H 6.250 . 6.250 4.073 4.023 4.153 . 0 0 "[ . 1]" 1
765 1 62 CYS H 1 65 TYR H 6.250 . 6.250 4.645 4.541 4.894 . 0 0 "[ . 1]" 1
766 1 62 CYS HA 1 64 ASN QB 5.360 . 5.360 5.073 4.751 5.230 . 0 0 "[ . 1]" 1
767 1 62 CYS HA 1 65 TYR H 5.890 . 5.890 3.438 3.264 3.634 . 0 0 "[ . 1]" 1
768 1 62 CYS HA 1 65 TYR HB2 4.810 . 4.810 3.177 2.663 3.585 . 0 0 "[ . 1]" 1
769 1 62 CYS HA 1 65 TYR HB3 4.810 . 4.810 2.955 2.444 3.656 . 0 0 "[ . 1]" 1
770 1 62 CYS QB 1 63 TYR H 4.300 . 4.300 2.389 2.267 2.518 . 0 0 "[ . 1]" 1
771 1 62 CYS HB2 1 63 TYR H 4.990 . 4.990 2.714 2.296 3.869 . 0 0 "[ . 1]" 1
772 1 62 CYS HB3 1 63 TYR H 4.990 . 4.990 3.220 2.382 3.505 . 0 0 "[ . 1]" 1
773 1 63 TYR H 1 64 ASN H 5.400 . 5.400 2.783 2.701 2.874 . 0 0 "[ . 1]" 1
774 1 63 TYR H 1 65 TYR H 6.250 . 6.250 4.073 3.982 4.150 . 0 0 "[ . 1]" 1
775 1 63 TYR H 1 66 VAL QG 6.160 . 6.160 4.850 4.616 5.260 . 0 0 "[ . 1]" 1
776 1 63 TYR H 1 67 ILE MD 6.000 . 6.000 5.708 5.425 5.930 . 0 0 "[ . 1]" 1
777 1 63 TYR H 1 78 VAL QG 5.790 . 5.790 5.111 4.592 5.674 . 0 0 "[ . 1]" 1
778 1 63 TYR H 1 82 LYS HG3 6.250 . 6.250 5.367 5.177 6.067 . 0 0 "[ . 1]" 1
779 1 63 TYR HA 1 63 TYR QD 4.050 . 4.050 2.610 2.128 3.333 . 0 0 "[ . 1]" 1
780 1 63 TYR HA 1 66 VAL H 5.520 . 5.520 3.508 3.399 3.696 . 0 0 "[ . 1]" 1
781 1 63 TYR HA 1 66 VAL HB 5.150 . 5.150 3.217 2.833 3.803 . 0 0 "[ . 1]" 1
782 1 63 TYR HA 1 66 VAL QG 4.200 . 4.200 3.235 3.064 3.497 . 0 0 "[ . 1]" 1
783 1 63 TYR HA 1 78 VAL QG 3.770 . 3.770 3.157 2.689 3.789 0.019 9 0 "[ . 1]" 1
784 1 63 TYR QB 1 67 ILE MD 4.760 . 4.760 3.460 2.773 4.253 . 0 0 "[ . 1]" 1
785 1 63 TYR QB 1 78 VAL QG 3.680 . 3.680 3.013 2.488 3.618 . 0 0 "[ . 1]" 1
786 1 63 TYR QB 1 82 LYS QD 5.360 . 5.360 3.261 2.212 4.388 . 0 0 "[ . 1]" 1
787 1 63 TYR QB 1 82 LYS HG2 4.390 . 4.390 4.167 2.396 4.550 0.160 2 0 "[ . 1]" 1
788 1 63 TYR QB 1 82 LYS HG3 4.110 . 4.110 2.984 2.730 3.257 . 0 0 "[ . 1]" 1
789 1 63 TYR QD 1 78 VAL MG1 5.300 . 5.300 2.253 2.067 2.493 . 0 0 "[ . 1]" 1
790 1 63 TYR QD 1 78 VAL QG 4.360 . 4.360 2.231 2.064 2.443 . 0 0 "[ . 1]" 1
791 1 63 TYR QD 1 78 VAL MG2 5.300 . 5.300 3.914 3.304 4.669 . 0 0 "[ . 1]" 1
792 1 64 ASN H 1 65 TYR H 5.640 . 5.640 2.636 2.552 2.703 . 0 0 "[ . 1]" 1
793 1 64 ASN H 1 66 VAL QG 6.160 . 6.160 5.158 5.025 5.390 . 0 0 "[ . 1]" 1
794 1 64 ASN H 1 67 ILE MD 6.250 . 6.250 4.430 4.181 4.745 . 0 0 "[ . 1]" 1
795 1 64 ASN H 1 78 VAL QG 6.160 . 6.160 5.390 5.079 5.805 . 0 0 "[ . 1]" 1
796 1 64 ASN HA 1 67 ILE H 5.360 . 5.360 3.328 3.232 3.440 . 0 0 "[ . 1]" 1
797 1 64 ASN HA 1 67 ILE HB 3.810 . 3.810 2.565 2.443 2.747 . 0 0 "[ . 1]" 1
798 1 64 ASN HA 1 67 ILE MD 3.770 . 3.770 2.948 2.565 3.408 . 0 0 "[ . 1]" 1
799 1 64 ASN HA 1 67 ILE MG 5.330 . 5.330 3.916 3.557 4.181 . 0 0 "[ . 1]" 1
800 1 64 ASN QB 1 67 ILE MD 4.980 . 4.980 4.538 4.109 5.064 0.084 7 0 "[ . 1]" 1
801 1 64 ASN HB2 1 65 TYR H 6.250 . 6.250 3.496 2.655 4.117 . 0 0 "[ . 1]" 1
802 1 64 ASN HB3 1 65 TYR H 6.250 . 6.250 3.145 2.593 3.830 . 0 0 "[ . 1]" 1
803 1 65 TYR H 1 66 VAL H 5.610 . 5.610 2.735 2.684 2.792 . 0 0 "[ . 1]" 1
804 1 65 TYR H 1 66 VAL QG 5.240 . 5.240 4.168 4.082 4.243 . 0 0 "[ . 1]" 1
805 1 65 TYR H 1 69 VAL QG 6.160 . 6.160 5.122 4.893 5.613 . 0 0 "[ . 1]" 1
806 1 65 TYR HA 1 65 TYR QE 5.410 . 5.410 4.628 4.548 4.706 . 0 0 "[ . 1]" 1
807 1 65 TYR HA 1 68 ASN H 5.660 . 5.660 3.476 3.125 3.663 . 0 0 "[ . 1]" 1
808 1 65 TYR HA 1 68 ASN HB2 4.780 . 4.780 3.424 2.638 3.950 . 0 0 "[ . 1]" 1
809 1 65 TYR HA 1 68 ASN QB 4.090 . 4.090 2.546 2.289 2.823 . 0 0 "[ . 1]" 1
810 1 65 TYR HA 1 68 ASN HB3 4.780 . 4.780 2.925 2.360 4.529 . 0 0 "[ . 1]" 1
811 1 65 TYR HA 1 69 VAL H 6.250 . 6.250 3.208 3.079 3.505 . 0 0 "[ . 1]" 1
812 1 65 TYR HA 1 69 VAL QG 4.070 . 4.070 3.065 2.644 4.045 . 0 0 "[ . 1]" 1
813 1 65 TYR QB 1 66 VAL QG 5.150 . 5.150 3.027 2.826 3.173 . 0 0 "[ . 1]" 1
814 1 65 TYR QB 1 69 VAL QG 4.890 . 4.890 3.709 3.533 4.227 . 0 0 "[ . 1]" 1
815 1 65 TYR HB2 1 66 VAL H 5.430 . 5.430 3.827 3.639 3.913 . 0 0 "[ . 1]" 1
816 1 65 TYR HB3 1 66 VAL H 5.430 . 5.430 2.509 2.369 2.592 . 0 0 "[ . 1]" 1
817 1 65 TYR QD 1 66 VAL QG 6.160 . 6.160 2.718 2.540 2.967 . 0 0 "[ . 1]" 1
818 1 65 TYR QD 1 69 VAL QG 4.780 . 4.780 2.827 2.763 3.064 . 0 0 "[ . 1]" 1
819 1 65 TYR QD 1 70 ILE MD 4.620 . 4.620 4.579 4.285 4.755 0.135 5 0 "[ . 1]" 1
820 1 65 TYR QD 1 70 ILE QG 6.250 . 6.250 4.902 4.397 5.857 . 0 0 "[ . 1]" 1
821 1 65 TYR QE 1 69 VAL QG 4.120 . 4.120 2.426 2.266 2.485 . 0 0 "[ . 1]" 1
822 1 65 TYR QE 1 70 ILE MD 4.200 . 4.200 4.210 4.070 4.322 0.122 7 0 "[ . 1]" 1
823 1 65 TYR QE 1 70 ILE QG . . 4.790 4.405 4.041 5.104 0.314 6 0 "[ . 1]" 1
824 1 65 TYR QE 1 70 ILE MG 7.000 . 7.000 6.584 6.408 6.744 . 0 0 "[ . 1]" 1
825 1 66 VAL H 1 66 VAL QG 3.620 . 3.620 2.152 2.085 2.219 . 0 0 "[ . 1]" 1
826 1 66 VAL H 1 67 ILE H 6.090 . 6.090 2.657 2.626 2.698 . 0 0 "[ . 1]" 1
827 1 66 VAL HA 1 66 VAL MG1 3.570 . 3.570 2.386 2.358 2.410 . 0 0 "[ . 1]" 1
828 1 66 VAL HA 1 66 VAL MG2 3.570 . 3.570 2.318 2.270 2.390 . 0 0 "[ . 1]" 1
829 1 66 VAL HA 1 70 ILE H 5.000 . 5.000 3.380 3.109 3.859 . 0 0 "[ . 1]" 1
830 1 66 VAL HA 1 70 ILE HB 3.520 . 3.520 3.439 2.968 3.748 0.228 10 0 "[ . 1]" 1
831 1 66 VAL HA 1 70 ILE MD 3.430 . 3.430 3.107 2.893 3.244 . 0 0 "[ . 1]" 1
832 1 66 VAL HA 1 70 ILE QG 4.380 . 4.380 3.567 3.067 4.434 0.054 6 0 "[ . 1]" 1
833 1 66 VAL HA 1 70 ILE MG 5.000 . 5.000 4.808 4.247 5.045 0.045 10 0 "[ . 1]" 1
834 1 66 VAL HB 1 67 ILE MD 5.060 . 5.060 3.940 2.327 4.502 . 0 0 "[ . 1]" 1
835 1 66 VAL HB 1 78 VAL QG 3.980 . 3.980 2.911 2.741 3.081 . 0 0 "[ . 1]" 1
836 1 66 VAL QG 1 67 ILE H 4.300 . 4.300 3.204 3.112 3.351 . 0 0 "[ . 1]" 1
837 1 66 VAL QG 1 67 ILE HA 4.060 . 4.060 3.408 3.318 3.550 . 0 0 "[ . 1]" 1
838 1 66 VAL QG 1 67 ILE MG 4.860 . 4.860 4.723 4.538 4.858 . 0 0 "[ . 1]" 1
839 1 66 VAL QG 1 70 ILE HB 4.330 . 4.330 2.878 2.612 3.263 . 0 0 "[ . 1]" 1
840 1 66 VAL QG 1 70 ILE MD 3.820 . 3.820 2.418 2.235 2.826 . 0 0 "[ . 1]" 1
841 1 66 VAL QG 1 70 ILE QG 5.380 . 5.380 3.728 3.412 4.171 . 0 0 "[ . 1]" 1
842 1 66 VAL QG 1 72 ASP H 5.320 . 5.320 4.466 4.065 5.058 . 0 0 "[ . 1]" 1
843 1 66 VAL QG 1 72 ASP QB 3.660 . 3.660 3.342 2.436 3.813 0.153 6 0 "[ . 1]" 1
844 1 66 VAL QG 1 75 ASN H 6.030 . 6.030 5.476 5.216 5.689 . 0 0 "[ . 1]" 1
845 1 66 VAL QG 1 78 VAL HB 4.180 . 4.180 4.260 4.003 4.454 0.274 1 0 "[ . 1]" 1
846 1 66 VAL QG 1 78 VAL QG 2.660 . 2.660 2.363 2.211 2.487 . 0 0 "[ . 1]" 1
847 1 66 VAL MG1 1 67 ILE H 5.550 . 5.550 3.409 3.279 3.609 . 0 0 "[ . 1]" 1
848 1 66 VAL MG1 1 70 ILE HB 5.700 . 5.700 2.906 2.629 3.310 . 0 0 "[ . 1]" 1
849 1 66 VAL MG1 1 78 VAL MG1 3.950 . 3.950 2.960 2.688 3.270 . 0 0 "[ . 1]" 1
850 1 66 VAL MG1 1 78 VAL MG2 3.950 . 3.950 2.607 2.359 2.761 . 0 0 "[ . 1]" 1
851 1 66 VAL MG2 1 67 ILE H 5.550 . 5.550 3.902 3.818 4.016 . 0 0 "[ . 1]" 1
852 1 66 VAL MG2 1 70 ILE HB 5.700 . 5.700 4.673 4.349 5.033 . 0 0 "[ . 1]" 1
853 1 66 VAL MG2 1 78 VAL MG1 3.950 . 3.950 3.674 3.266 3.985 0.035 8 0 "[ . 1]" 1
854 1 66 VAL MG2 1 78 VAL MG2 3.950 . 3.950 3.516 3.324 3.728 . 0 0 "[ . 1]" 1
855 1 67 ILE H 1 67 ILE HB 4.130 . 4.130 2.383 2.261 2.545 . 0 0 "[ . 1]" 1
856 1 67 ILE H 1 67 ILE MD 4.350 . 4.350 3.128 1.862 3.489 . 0 0 "[ . 1]" 1
857 1 67 ILE H 1 67 ILE QG . . 4.110 2.606 2.045 3.470 . 0 0 "[ . 1]" 1
858 1 67 ILE H 1 67 ILE MG 4.300 . 4.300 3.731 3.669 3.784 . 0 0 "[ . 1]" 1
859 1 67 ILE H 1 68 ASN H 5.240 . 5.240 2.477 2.254 2.630 . 0 0 "[ . 1]" 1
860 1 67 ILE H 1 70 ILE MD 5.990 . 5.990 5.792 5.556 5.958 . 0 0 "[ . 1]" 1
861 1 67 ILE H 1 70 ILE MG 6.250 . 6.250 6.223 5.314 6.400 0.150 8 0 "[ . 1]" 1
862 1 67 ILE HA 1 67 ILE MD 3.950 . 3.950 3.566 2.435 3.862 . 0 0 "[ . 1]" 1
863 1 67 ILE HA 1 67 ILE QG . . 3.430 2.363 2.262 2.468 . 0 0 "[ . 1]" 1
864 1 67 ILE HA 1 67 ILE MG 3.270 . 3.270 2.466 2.343 2.598 . 0 0 "[ . 1]" 1
865 1 67 ILE HA 1 72 ASP H 5.580 . 5.580 4.149 3.579 5.424 . 0 0 "[ . 1]" 1
866 1 67 ILE HA 1 73 GLU HA 4.530 . 4.530 4.067 3.552 4.569 0.039 10 0 "[ . 1]" 1
867 1 67 ILE HA 1 78 VAL QG 5.820 . 5.820 4.611 4.142 5.021 . 0 0 "[ . 1]" 1
868 1 67 ILE HB 1 67 ILE MD 3.450 . 3.450 2.277 2.215 2.352 . 0 0 "[ . 1]" 1
869 1 67 ILE HB 1 68 ASN H 4.890 . 4.890 2.958 2.690 3.155 . 0 0 "[ . 1]" 1
870 1 67 ILE MD 1 67 ILE MG 3.250 . 3.250 2.242 1.908 3.254 0.004 9 0 "[ . 1]" 1
871 1 67 ILE MD 1 68 ASN H 6.030 . 6.030 4.538 3.903 4.800 . 0 0 "[ . 1]" 1
872 1 67 ILE MD 1 73 GLU HA 4.830 . 4.830 4.003 3.411 4.921 0.091 6 0 "[ . 1]" 1
873 1 67 ILE MD 1 78 VAL MG1 4.300 . 4.300 2.460 2.058 2.796 . 0 0 "[ . 1]" 1
874 1 67 ILE MD 1 78 VAL QG 2.960 . 2.960 2.449 2.049 2.781 . 0 0 "[ . 1]" 1
875 1 67 ILE MD 1 78 VAL MG2 4.500 2.580 4.500 4.467 3.692 4.932 0.432 4 0 "[ . 1]" 1
876 1 67 ILE MD 1 79 TRP H 6.250 . 6.250 4.955 4.511 5.166 . 0 0 "[ . 1]" 1
877 1 67 ILE MD 1 79 TRP HA 5.020 . 5.020 4.150 3.936 4.601 . 0 0 "[ . 1]" 1
878 1 67 ILE MD 1 79 TRP HE1 6.090 . 6.090 3.758 3.178 4.501 . 0 0 "[ . 1]" 1
879 1 67 ILE MD 1 82 LYS H 6.250 . 6.250 5.787 5.400 6.256 0.006 1 0 "[ . 1]" 1
880 1 67 ILE MD 1 82 LYS HG2 6.500 . 6.500 5.678 4.288 6.701 0.201 7 0 "[ . 1]" 1
881 1 67 ILE QG 1 68 ASN H 6.250 . 6.250 4.295 4.047 4.720 . 0 0 "[ . 1]" 1
882 1 67 ILE QG 1 73 GLU HA 4.570 . 4.570 2.972 2.321 3.907 . 0 0 "[ . 1]" 1
883 1 67 ILE QG 1 78 VAL QG 4.120 . 4.120 2.857 2.268 3.649 . 0 0 "[ . 1]" 1
884 1 67 ILE QG 1 79 TRP HE1 6.040 . 6.040 3.633 2.765 4.662 . 0 0 "[ . 1]" 1
885 1 67 ILE MG 1 68 ASN H 4.850 . 4.850 3.530 3.219 3.889 . 0 0 "[ . 1]" 1
886 1 67 ILE MG 1 68 ASN HA 4.220 . 4.220 3.504 3.277 3.817 . 0 0 "[ . 1]" 1
887 1 67 ILE MG 1 73 GLU H 5.400 . 5.400 4.103 2.762 5.359 . 0 0 "[ . 1]" 1
888 1 67 ILE MG 1 73 GLU HA 3.950 . 3.950 3.479 2.770 4.101 0.151 7 0 "[ . 1]" 1
889 1 67 ILE MG 1 73 GLU HB2 4.110 . 4.110 3.291 2.319 4.297 0.187 5 0 "[ . 1]" 1
890 1 67 ILE MG 1 73 GLU QB 3.490 . 3.490 2.807 2.302 3.650 0.160 10 0 "[ . 1]" 1
891 1 67 ILE MG 1 73 GLU HB3 4.110 . 4.110 3.635 2.377 4.533 0.423 2 0 "[ . 1]" 1
892 1 67 ILE MG 1 75 ASN H 7.000 . 7.000 6.402 5.637 6.974 . 0 0 "[ . 1]" 1
893 1 67 ILE MG 1 79 TRP HE1 6.160 . 6.160 4.362 3.793 5.158 . 0 0 "[ . 1]" 1
894 1 68 ASN H 1 69 VAL HA 6.250 . 6.250 5.336 5.231 5.465 . 0 0 "[ . 1]" 1
895 1 68 ASN H 1 69 VAL QG 5.200 . 5.200 4.086 3.444 4.296 . 0 0 "[ . 1]" 1
896 1 68 ASN HA 1 69 VAL QG 4.990 . 4.990 4.743 4.392 4.954 . 0 0 "[ . 1]" 1
897 1 68 ASN QB 1 69 VAL QG 3.630 . 3.630 3.085 2.888 3.829 0.199 6 0 "[ . 1]" 1
898 1 69 VAL H 1 69 VAL MG1 4.240 . 4.240 3.353 2.193 3.781 . 0 0 "[ . 1]" 1
899 1 69 VAL H 1 69 VAL QG 3.450 . 3.450 2.227 1.975 2.607 . 0 0 "[ . 1]" 1
900 1 69 VAL H 1 69 VAL MG2 4.240 . 4.240 2.521 2.169 3.772 . 0 0 "[ . 1]" 1
901 1 69 VAL H 1 70 ILE H 5.360 . 5.360 2.871 2.752 2.948 . 0 0 "[ . 1]" 1
902 1 69 VAL H 1 70 ILE HB 5.600 . 5.600 5.361 4.975 5.459 . 0 0 "[ . 1]" 1
903 1 69 VAL H 1 70 ILE MD 6.250 . 6.250 5.681 5.503 5.809 . 0 0 "[ . 1]" 1
904 1 69 VAL H 1 70 ILE MG 6.250 . 6.250 6.175 5.886 6.243 . 0 0 "[ . 1]" 1
905 1 69 VAL HA 1 69 VAL QG 3.120 . 3.120 2.136 2.070 2.361 . 0 0 "[ . 1]" 1
906 1 69 VAL QG 1 70 ILE HA 4.410 . 4.410 3.582 3.211 3.910 . 0 0 "[ . 1]" 1
907 1 69 VAL QG 1 70 ILE HB 4.380 . 4.380 3.982 2.670 4.444 0.064 8 0 "[ . 1]" 1
908 1 69 VAL QG 1 70 ILE MD 4.170 . 4.170 3.288 2.769 3.565 . 0 0 "[ . 1]" 1
909 1 69 VAL QG 1 70 ILE QG 4.680 . 4.680 2.231 1.926 2.393 . 0 0 "[ . 1]" 1
910 1 69 VAL QG 1 70 ILE MG 4.400 . 4.400 4.182 3.820 4.380 . 0 0 "[ . 1]" 1
911 1 69 VAL MG1 1 70 ILE H 4.480 . 4.480 3.070 1.734 4.030 0.066 5 0 "[ . 1]" 1
912 1 69 VAL MG1 1 70 ILE HA 5.600 . 5.600 3.849 3.318 5.523 . 0 0 "[ . 1]" 1
913 1 69 VAL MG2 1 70 ILE H 4.480 . 4.480 3.576 1.730 3.853 0.070 10 0 "[ . 1]" 1
914 1 69 VAL MG2 1 70 ILE HA 5.600 . 5.600 5.086 3.660 5.579 . 0 0 "[ . 1]" 1
915 1 70 ILE H 1 70 ILE MD 4.320 . 4.320 3.754 3.639 3.829 . 0 0 "[ . 1]" 1
916 1 70 ILE H 1 70 ILE QG 4.760 . 4.760 2.518 2.343 3.242 . 0 0 "[ . 1]" 1
917 1 70 ILE H 1 71 GLU H 6.090 . 6.090 4.378 4.279 4.439 . 0 0 "[ . 1]" 1
918 1 70 ILE HA 1 70 ILE MD 3.920 . 3.920 3.865 3.809 3.902 . 0 0 "[ . 1]" 1
919 1 70 ILE HA 1 70 ILE QG . . 3.580 2.479 2.314 2.521 . 0 0 "[ . 1]" 1
920 1 70 ILE HA 1 70 ILE MG 3.310 . 3.310 2.361 2.306 2.625 . 0 0 "[ . 1]" 1
921 1 70 ILE HB 1 70 ILE MD 3.400 . 3.400 2.314 2.265 2.364 . 0 0 "[ . 1]" 1
922 1 70 ILE MG 1 71 GLU H 6.250 . 6.250 2.702 2.533 2.937 . 0 0 "[ . 1]" 1
923 1 70 ILE MG 1 72 ASP H 4.350 . 4.350 1.853 1.595 2.020 0.205 6 0 "[ . 1]" 1
924 1 70 ILE MG 1 72 ASP HB2 3.910 . 3.910 2.294 2.024 3.499 . 0 0 "[ . 1]" 1
925 1 70 ILE MG 1 72 ASP QB 3.180 . 3.180 2.113 1.995 2.363 . 0 0 "[ . 1]" 1
926 1 70 ILE MG 1 72 ASP HB3 3.910 . 3.910 3.018 2.182 3.572 . 0 0 "[ . 1]" 1
927 1 71 GLU H 1 72 ASP H 5.550 . 5.550 2.915 2.670 3.092 . 0 0 "[ . 1]" 1
928 1 71 GLU HA 1 71 GLU QG 3.500 . 3.500 2.817 2.278 3.447 . 0 0 "[ . 1]" 1
929 1 71 GLU QG 1 72 ASP H 6.040 . 6.040 4.125 3.528 4.748 . 0 0 "[ . 1]" 1
930 1 72 ASP H 1 73 GLU H 6.100 . 6.100 3.332 2.916 4.109 . 0 0 "[ . 1]" 1
931 1 73 GLU H 1 74 TYR H 5.560 . 5.560 3.196 2.195 3.991 . 0 0 "[ . 1]" 1
932 1 73 GLU HA 1 75 ASN H 6.250 . 6.250 3.799 3.127 4.673 . 0 0 "[ . 1]" 1
933 1 73 GLU HA 1 79 TRP HE1 5.480 . 5.480 2.908 2.076 3.433 . 0 0 "[ . 1]" 1
934 1 73 GLU QB 1 73 GLU QG 2.260 . 2.260 2.101 2.041 2.116 . 0 0 "[ . 1]" 1
935 1 73 GLU QB 1 79 TRP HE1 6.040 . 6.040 3.602 2.048 4.896 . 0 0 "[ . 1]" 1
936 1 73 GLU HB2 1 74 TYR H 6.250 . 6.250 4.351 3.563 4.659 . 0 0 "[ . 1]" 1
937 1 73 GLU HB3 1 74 TYR H 6.250 . 6.250 4.396 4.133 4.612 . 0 0 "[ . 1]" 1
938 1 73 GLU QG 1 74 TYR H 6.040 . 6.040 3.800 2.383 4.475 . 0 0 "[ . 1]" 1
939 1 73 GLU QG 1 75 ASN H 6.040 . 6.040 5.229 4.462 5.989 . 0 0 "[ . 1]" 1
940 1 74 TYR H 1 74 TYR QE 6.250 . 6.250 6.124 4.014 6.429 0.179 6 0 "[ . 1]" 1
941 1 74 TYR H 1 75 ASN H 5.340 . 5.340 2.150 1.600 3.239 0.200 1 0 "[ . 1]" 1
942 1 74 TYR H 1 79 TRP HD1 6.250 . 6.250 4.834 3.228 5.994 . 0 0 "[ . 1]" 1
943 1 74 TYR HA 1 79 TRP HE1 6.250 . 6.250 4.167 3.361 4.968 . 0 0 "[ . 1]" 1
944 1 75 ASN H 1 76 LYS H 6.250 . 6.250 4.299 4.185 4.447 . 0 0 "[ . 1]" 1
945 1 75 ASN H 1 78 VAL HB 6.250 . 6.250 4.282 4.025 4.736 . 0 0 "[ . 1]" 1
946 1 75 ASN H 1 78 VAL MG1 6.250 . 6.250 5.126 4.874 5.565 . 0 0 "[ . 1]" 1
947 1 75 ASN H 1 78 VAL MG2 6.250 . 6.250 4.611 4.337 4.784 . 0 0 "[ . 1]" 1
948 1 75 ASN H 1 79 TRP HD1 6.150 . 6.150 3.942 2.799 4.609 . 0 0 "[ . 1]" 1
949 1 75 ASN H 1 79 TRP HE1 6.120 . 6.120 4.079 3.008 5.197 . 0 0 "[ . 1]" 1
950 1 75 ASN HA 1 76 LYS QD 5.280 . 5.280 5.138 3.237 5.722 0.442 6 0 "[ . 1]" 1
951 1 75 ASN HA 1 77 ASP H 5.520 . 5.520 3.663 3.568 3.811 . 0 0 "[ . 1]" 1
952 1 75 ASN QB 1 78 VAL H 6.040 . 6.040 2.442 2.176 2.911 . 0 0 "[ . 1]" 1
953 1 75 ASN QB 1 78 VAL HB 3.800 . 3.800 2.241 2.078 2.525 . 0 0 "[ . 1]" 1
954 1 75 ASN QB 1 78 VAL QG 3.510 . 3.510 2.151 1.994 2.438 . 0 0 "[ . 1]" 1
955 1 76 LYS H 1 76 LYS HD2 6.130 . 6.130 3.960 2.192 4.642 . 0 0 "[ . 1]" 1
956 1 76 LYS H 1 76 LYS QD 5.330 . 5.330 3.484 1.897 4.047 . 0 0 "[ . 1]" 1
957 1 76 LYS H 1 76 LYS HD3 6.130 . 6.130 4.077 2.078 4.681 . 0 0 "[ . 1]" 1
958 1 76 LYS H 1 76 LYS HG2 5.750 . 5.750 2.955 1.890 3.825 . 0 0 "[ . 1]" 1
959 1 76 LYS H 1 76 LYS QG 5.050 . 5.050 2.169 1.876 3.327 . 0 0 "[ . 1]" 1
960 1 76 LYS H 1 76 LYS HG3 5.750 . 5.750 2.628 1.909 3.657 . 0 0 "[ . 1]" 1
961 1 76 LYS H 1 77 ASP H 5.570 . 5.570 2.637 2.532 2.727 . 0 0 "[ . 1]" 1
962 1 76 LYS H 1 78 VAL H 6.250 . 6.250 4.293 4.195 4.404 . 0 0 "[ . 1]" 1
963 1 76 LYS H 1 79 TRP H 6.250 . 6.250 4.903 4.829 5.006 . 0 0 "[ . 1]" 1
964 1 76 LYS HA 1 76 LYS HD2 4.520 . 4.520 4.174 2.697 4.797 0.277 3 0 "[ . 1]" 1
965 1 76 LYS HA 1 76 LYS QD 4.500 . 4.500 3.694 2.173 4.254 . 0 0 "[ . 1]" 1
966 1 76 LYS HA 1 76 LYS HD3 4.520 . 4.520 4.217 2.271 4.753 0.233 3 0 "[ . 1]" 1
967 1 76 LYS HA 1 76 LYS QG 3.630 . 3.630 2.704 2.326 3.410 . 0 0 "[ . 1]" 1
968 1 76 LYS HA 1 79 TRP H 5.280 . 5.280 3.578 3.415 3.864 . 0 0 "[ . 1]" 1
969 1 76 LYS HA 1 79 TRP QB 4.220 . 4.220 2.682 2.567 2.840 . 0 0 "[ . 1]" 1
970 1 76 LYS HA 1 79 TRP HD1 5.040 . 5.040 4.126 2.894 5.193 0.153 8 0 "[ . 1]" 1
971 1 76 LYS HA 1 80 ALA H 6.250 . 6.250 3.792 3.587 4.087 . 0 0 "[ . 1]" 1
972 1 76 LYS HD2 1 77 ASP H 6.250 . 6.250 4.849 2.850 5.689 . 0 0 "[ . 1]" 1
973 1 76 LYS HD3 1 77 ASP H 6.250 . 6.250 5.207 4.315 6.180 . 0 0 "[ . 1]" 1
974 1 76 LYS QE 1 76 LYS QG 3.330 . 3.330 2.286 2.135 2.351 . 0 0 "[ . 1]" 1
975 1 76 LYS QG 1 77 ASP H 5.450 . 5.450 3.521 2.076 4.521 . 0 0 "[ . 1]" 1
976 1 76 LYS HG2 1 77 ASP H 6.250 . 6.250 4.295 2.327 5.105 . 0 0 "[ . 1]" 1
977 1 76 LYS HG3 1 77 ASP H 6.250 . 6.250 3.836 2.248 5.046 . 0 0 "[ . 1]" 1
978 1 77 ASP H 1 77 ASP QB 3.680 . 3.680 2.341 2.223 2.516 . 0 0 "[ . 1]" 1
979 1 77 ASP H 1 78 VAL H 5.030 . 5.030 2.691 2.630 2.727 . 0 0 "[ . 1]" 1
980 1 77 ASP H 1 78 VAL HB 6.250 . 6.250 4.835 4.726 4.884 . 0 0 "[ . 1]" 1
981 1 77 ASP H 1 78 VAL QG 5.140 . 5.140 4.162 4.023 4.242 . 0 0 "[ . 1]" 1
982 1 77 ASP HA 1 80 ALA H 5.130 . 5.130 3.719 3.620 3.791 . 0 0 "[ . 1]" 1
983 1 77 ASP HA 1 80 ALA MB 3.520 . 3.520 2.734 2.597 2.869 . 0 0 "[ . 1]" 1
984 1 77 ASP HA 1 81 ALA MB 5.940 . 5.940 4.458 4.195 4.773 . 0 0 "[ . 1]" 1
985 1 77 ASP QB 1 80 ALA MB 5.430 . 5.430 4.372 4.193 4.531 . 0 0 "[ . 1]" 1
986 1 77 ASP HB2 1 78 VAL H 5.460 . 5.460 2.914 2.454 3.851 . 0 0 "[ . 1]" 1
987 1 77 ASP HB3 1 78 VAL H 5.460 . 5.460 3.212 2.443 3.722 . 0 0 "[ . 1]" 1
988 1 78 VAL H 1 78 VAL HB 3.920 . 3.920 2.456 2.412 2.499 . 0 0 "[ . 1]" 1
989 1 78 VAL H 1 78 VAL MG1 4.300 . 4.300 3.762 3.757 3.769 . 0 0 "[ . 1]" 1
990 1 78 VAL H 1 78 VAL QG 3.430 . 3.430 2.191 2.066 2.274 . 0 0 "[ . 1]" 1
991 1 78 VAL H 1 78 VAL MG2 4.300 . 4.300 2.206 2.075 2.293 . 0 0 "[ . 1]" 1
992 1 78 VAL HA 1 78 VAL MG1 3.400 . 3.400 2.402 2.359 2.445 . 0 0 "[ . 1]" 1
993 1 78 VAL HA 1 78 VAL QG 2.940 . 2.940 2.126 2.085 2.144 . 0 0 "[ . 1]" 1
994 1 78 VAL HA 1 78 VAL MG2 3.400 . 3.400 2.372 2.277 2.428 . 0 0 "[ . 1]" 1
995 1 78 VAL HA 1 81 ALA H 6.220 . 6.220 3.575 3.448 3.735 . 0 0 "[ . 1]" 1
996 1 78 VAL HA 1 81 ALA MB 3.690 . 3.690 2.730 2.663 2.781 . 0 0 "[ . 1]" 1
997 1 78 VAL HB 1 79 TRP H 4.420 . 4.420 2.500 2.387 2.584 . 0 0 "[ . 1]" 1
998 1 78 VAL QG 1 79 TRP H 3.860 . 3.860 3.081 2.981 3.161 . 0 0 "[ . 1]" 1
999 1 78 VAL QG 1 79 TRP HA 4.630 . 4.630 3.305 3.209 3.376 . 0 0 "[ . 1]" 1
1000 1 78 VAL QG 1 81 ALA H 5.370 . 5.370 4.421 4.293 4.581 . 0 0 "[ . 1]" 1
1001 1 78 VAL QG 1 82 LYS H 5.590 . 5.590 3.975 3.852 4.212 . 0 0 "[ . 1]" 1
1002 1 78 VAL MG1 1 79 TRP H 4.600 . 4.600 3.234 3.091 3.350 . 0 0 "[ . 1]" 1
1003 1 78 VAL MG1 1 81 ALA H 6.250 . 6.250 4.759 4.582 4.978 . 0 0 "[ . 1]" 1
1004 1 78 VAL MG2 1 79 TRP H 4.600 . 4.600 3.881 3.801 3.918 . 0 0 "[ . 1]" 1
1005 1 78 VAL MG2 1 81 ALA H 6.250 . 6.250 5.252 5.182 5.354 . 0 0 "[ . 1]" 1
1006 1 79 TRP H 1 79 TRP HD1 6.250 . 6.250 2.799 2.335 3.239 . 0 0 "[ . 1]" 1
1007 1 79 TRP H 1 79 TRP HE1 6.250 . 6.250 4.950 4.306 5.465 . 0 0 "[ . 1]" 1
1008 1 79 TRP H 1 80 ALA H 5.470 . 5.470 2.766 2.712 2.793 . 0 0 "[ . 1]" 1
1009 1 79 TRP H 1 80 ALA MB 6.100 . 6.100 4.386 4.344 4.412 . 0 0 "[ . 1]" 1
1010 1 79 TRP H 1 81 ALA H 6.250 . 6.250 4.164 4.124 4.208 . 0 0 "[ . 1]" 1
1011 1 79 TRP H 1 82 LYS QB 5.870 . 5.870 4.910 4.637 5.155 . 0 0 "[ . 1]" 1
1012 1 79 TRP HA 1 82 LYS H 6.250 . 6.250 3.548 3.480 3.610 . 0 0 "[ . 1]" 1
1013 1 79 TRP HA 1 82 LYS QB 4.400 . 4.400 2.858 2.641 3.068 . 0 0 "[ . 1]" 1
1014 1 79 TRP QB 1 103 ALA H 5.760 . 5.760 4.175 3.834 4.760 . 0 0 "[ . 1]" 1
1015 1 79 TRP QB 1 103 ALA HA 4.300 . 4.300 2.642 2.429 2.973 . 0 0 "[ . 1]" 1
1016 1 79 TRP QB 1 103 ALA MB 3.620 . 3.620 2.610 2.266 3.243 . 0 0 "[ . 1]" 1
1017 1 79 TRP HB2 1 80 ALA H 5.520 . 5.520 2.678 2.512 2.865 . 0 0 "[ . 1]" 1
1018 1 79 TRP HB2 1 103 ALA MB 4.140 . 4.140 3.477 2.750 4.162 0.022 5 0 "[ . 1]" 1
1019 1 79 TRP HB3 1 80 ALA H 5.520 . 5.520 3.339 3.067 3.665 . 0 0 "[ . 1]" 1
1020 1 79 TRP HB3 1 103 ALA MB 4.140 . 4.140 2.710 2.301 3.382 . 0 0 "[ . 1]" 1
1021 1 80 ALA H 1 80 ALA MB 3.200 . 3.200 2.211 2.204 2.217 . 0 0 "[ . 1]" 1
1022 1 80 ALA H 1 81 ALA H 5.380 . 5.380 2.718 2.661 2.785 . 0 0 "[ . 1]" 1
1023 1 80 ALA H 1 81 ALA MB 6.090 . 6.090 4.380 4.328 4.442 . 0 0 "[ . 1]" 1
1024 1 80 ALA HA 1 83 ALA H 5.320 . 5.320 3.540 3.410 3.634 . 0 0 "[ . 1]" 1
1025 1 80 ALA HA 1 83 ALA MB 3.310 . 3.310 2.769 2.707 2.822 . 0 0 "[ . 1]" 1
1026 1 80 ALA MB 1 81 ALA H 3.720 . 3.720 2.485 2.371 2.589 . 0 0 "[ . 1]" 1
1027 1 80 ALA MB 1 83 ALA H 5.190 . 5.190 4.632 4.485 4.763 . 0 0 "[ . 1]" 1
1028 1 81 ALA H 1 81 ALA MB 3.480 . 3.480 2.229 2.220 2.239 . 0 0 "[ . 1]" 1
1029 1 81 ALA H 1 82 LYS H 5.410 . 5.410 2.729 2.666 2.821 . 0 0 "[ . 1]" 1
1030 1 81 ALA H 1 84 ASP H 5.920 . 5.920 5.106 4.866 5.265 . 0 0 "[ . 1]" 1
1031 1 81 ALA HA 1 84 ASP H 6.250 . 6.250 3.667 3.627 3.712 . 0 0 "[ . 1]" 1
1032 1 81 ALA MB 1 82 LYS H 4.150 . 4.150 2.402 2.370 2.449 . 0 0 "[ . 1]" 1
1033 1 81 ALA MB 1 83 ALA H 6.250 . 6.250 4.460 4.382 4.537 . 0 0 "[ . 1]" 1
1034 1 81 ALA MB 1 84 ASP H 6.250 . 6.250 4.754 4.714 4.809 . 0 0 "[ . 1]" 1
1035 1 81 ALA MB 1 85 ALA MB 4.930 . 4.930 4.738 4.536 4.876 . 0 0 "[ . 1]" 1
1036 1 82 LYS H 1 83 ALA H 5.610 . 5.610 2.727 2.667 2.785 . 0 0 "[ . 1]" 1
1037 1 82 LYS H 1 84 ASP H 6.250 . 6.250 4.456 4.303 4.562 . 0 0 "[ . 1]" 1
1038 1 82 LYS HA 1 82 LYS HD2 5.270 . 5.270 4.311 3.334 4.613 . 0 0 "[ . 1]" 1
1039 1 82 LYS HA 1 82 LYS QD 4.490 . 4.490 3.820 2.447 4.016 . 0 0 "[ . 1]" 1
1040 1 82 LYS HA 1 82 LYS HD3 5.270 . 5.270 4.329 2.517 4.659 . 0 0 "[ . 1]" 1
1041 1 82 LYS HA 1 82 LYS HG3 3.830 . 3.830 2.663 2.370 3.622 . 0 0 "[ . 1]" 1
1042 1 82 LYS HA 1 85 ALA H 6.250 . 6.250 3.390 3.296 3.481 . 0 0 "[ . 1]" 1
1043 1 82 LYS HA 1 85 ALA MB 3.750 . 3.750 2.792 2.630 2.880 . 0 0 "[ . 1]" 1
1044 1 82 LYS HA 1 86 LEU QD 5.200 . 5.200 4.230 3.580 4.510 . 0 0 "[ . 1]" 1
1045 1 82 LYS QB 1 82 LYS QE 3.780 . 3.780 3.496 2.463 3.690 . 0 0 "[ . 1]" 1
1046 1 82 LYS QB 1 84 ASP H 5.360 . 5.360 4.907 4.796 4.998 . 0 0 "[ . 1]" 1
1047 1 82 LYS QB 1 99 ALA MB 4.690 . 4.690 3.867 3.454 4.220 . 0 0 "[ . 1]" 1
1048 1 82 LYS HB2 1 83 ALA H 5.470 . 5.470 3.770 3.566 3.929 . 0 0 "[ . 1]" 1
1049 1 82 LYS HB3 1 83 ALA H 5.470 . 5.470 2.623 2.506 2.735 . 0 0 "[ . 1]" 1
1050 1 82 LYS QD 1 83 ALA H 6.040 . 6.040 4.460 3.630 5.024 . 0 0 "[ . 1]" 1
1051 1 82 LYS QD 1 86 LEU QD 3.640 . 3.640 2.833 2.096 3.546 . 0 0 "[ . 1]" 1
1052 1 82 LYS QE 1 86 LEU QD 2.880 . 2.880 2.144 1.925 2.388 . 0 0 "[ . 1]" 1
1053 1 82 LYS QE 1 86 LEU HG 5.230 . 5.230 3.610 2.673 4.670 . 0 0 "[ . 1]" 1
1054 1 82 LYS HE2 1 82 LYS HG3 4.150 . 4.150 3.299 2.629 3.783 . 0 0 "[ . 1]" 1
1055 1 82 LYS HE2 1 86 LEU MD1 3.810 . 3.810 2.649 2.295 3.771 . 0 0 "[ . 1]" 1
1056 1 82 LYS HE2 1 86 LEU MD2 3.810 . 3.810 3.220 2.414 4.007 0.197 8 0 "[ . 1]" 1
1057 1 82 LYS HE3 1 82 LYS HG3 4.150 . 4.150 2.825 2.462 3.647 . 0 0 "[ . 1]" 1
1058 1 82 LYS HE3 1 86 LEU MD1 3.810 . 3.810 2.983 2.303 3.864 0.054 7 0 "[ . 1]" 1
1059 1 82 LYS HE3 1 86 LEU MD2 3.810 . 3.810 3.299 2.298 3.921 0.111 9 0 "[ . 1]" 1
1060 1 82 LYS HG2 1 86 LEU QD 5.180 . 5.180 2.649 2.128 4.337 . 0 0 "[ . 1]" 1
1061 1 82 LYS HG3 1 85 ALA MB 5.210 . 5.210 3.808 3.404 5.141 . 0 0 "[ . 1]" 1
1062 1 82 LYS HG3 1 86 LEU MD1 5.490 . 5.490 3.781 2.988 4.301 . 0 0 "[ . 1]" 1
1063 1 82 LYS HG3 1 86 LEU QD 4.470 . 4.470 3.580 2.938 4.010 . 0 0 "[ . 1]" 1
1064 1 82 LYS HG3 1 86 LEU MD2 5.490 . 5.490 4.522 4.161 5.314 . 0 0 "[ . 1]" 1
1065 1 82 LYS HG3 1 86 LEU HG 6.250 . 6.250 4.557 3.610 6.308 0.058 1 0 "[ . 1]" 1
1066 1 83 ALA H 1 83 ALA MB 3.420 . 3.420 2.222 2.209 2.233 . 0 0 "[ . 1]" 1
1067 1 83 ALA H 1 84 ASP H 5.640 . 5.640 2.874 2.805 2.924 . 0 0 "[ . 1]" 1
1068 1 83 ALA H 1 86 LEU QB 6.040 . 6.040 4.983 4.889 5.077 . 0 0 "[ . 1]" 1
1069 1 83 ALA H 1 86 LEU QD 6.160 . 6.160 4.053 3.843 4.275 . 0 0 "[ . 1]" 1
1070 1 83 ALA H 1 99 ALA MB 5.870 . 5.870 3.583 3.241 3.904 . 0 0 "[ . 1]" 1
1071 1 83 ALA H 1 100 GLU HA 6.070 . 6.070 5.802 5.506 6.085 0.015 4 0 "[ . 1]" 1
1072 1 83 ALA HA 1 86 LEU H 5.050 . 5.050 3.309 3.257 3.411 . 0 0 "[ . 1]" 1
1073 1 83 ALA HA 1 86 LEU HB2 4.130 . 4.130 2.600 2.500 2.709 . 0 0 "[ . 1]" 1
1074 1 83 ALA HA 1 86 LEU QB 3.620 . 3.620 2.577 2.480 2.681 . 0 0 "[ . 1]" 1
1075 1 83 ALA HA 1 86 LEU HB3 4.130 . 4.130 4.221 4.132 4.282 0.152 4 0 "[ . 1]" 1
1076 1 83 ALA HA 1 86 LEU QD 3.840 . 3.840 2.514 2.317 3.095 . 0 0 "[ . 1]" 1
1077 1 83 ALA HA 1 99 ALA MB 3.710 . 3.710 2.261 2.138 2.388 . 0 0 "[ . 1]" 1
1078 1 83 ALA MB 1 84 ASP H 3.810 . 3.810 2.315 2.254 2.379 . 0 0 "[ . 1]" 1
1079 1 83 ALA MB 1 84 ASP HA 4.260 . 4.260 3.752 3.729 3.779 . 0 0 "[ . 1]" 1
1080 1 83 ALA MB 1 85 ALA H 4.930 . 4.930 4.406 4.320 4.455 . 0 0 "[ . 1]" 1
1081 1 83 ALA MB 1 86 LEU QD 4.040 . 4.040 3.738 3.602 4.101 0.061 1 0 "[ . 1]" 1
1082 1 83 ALA MB 1 99 ALA MB 2.920 . 2.920 2.339 2.166 2.613 . 0 0 "[ . 1]" 1
1083 1 83 ALA MB 1 100 GLU H 6.080 . 6.080 3.354 3.170 3.612 . 0 0 "[ . 1]" 1
1084 1 83 ALA MB 1 100 GLU QB 3.660 . 3.660 3.363 2.927 3.888 0.228 1 0 "[ . 1]" 1
1085 1 84 ASP H 1 85 ALA H 5.360 . 5.360 2.813 2.726 2.881 . 0 0 "[ . 1]" 1
1086 1 84 ASP H 1 86 LEU QD 6.160 . 6.160 5.099 4.944 5.204 . 0 0 "[ . 1]" 1
1087 1 84 ASP H 1 99 ALA MB 5.290 . 5.290 5.012 4.862 5.276 . 0 0 "[ . 1]" 1
1088 1 84 ASP HA 1 87 ARG H 5.160 . 5.160 3.397 3.292 3.520 . 0 0 "[ . 1]" 1
1089 1 84 ASP HA 1 87 ARG QB 4.130 . 4.130 2.566 2.424 2.716 . 0 0 "[ . 1]" 1
1090 1 85 ALA H 1 86 LEU H 5.430 . 5.430 2.631 2.595 2.656 . 0 0 "[ . 1]" 1
1091 1 85 ALA H 1 87 ARG H 6.250 . 6.250 3.912 3.827 4.116 . 0 0 "[ . 1]" 1
1092 1 85 ALA H 1 88 TYR QB 6.040 . 6.040 5.953 5.737 6.152 0.112 7 0 "[ . 1]" 1
1093 1 85 ALA HA 1 88 TYR QB 4.560 . 4.560 3.855 3.568 4.201 . 0 0 "[ . 1]" 1
1094 1 85 ALA MB 1 86 LEU H 4.340 . 4.340 2.520 2.408 2.579 . 0 0 "[ . 1]" 1
1095 1 85 ALA MB 1 86 LEU QB 5.680 . 5.680 4.185 3.979 4.267 . 0 0 "[ . 1]" 1
1096 1 85 ALA MB 1 86 LEU QD 4.300 . 4.300 3.184 2.225 3.478 . 0 0 "[ . 1]" 1
1097 1 85 ALA MB 1 88 TYR QB 5.310 . 5.310 4.947 4.718 5.250 . 0 0 "[ . 1]" 1
1098 1 86 LEU H 1 86 LEU MD1 5.240 . 5.240 3.172 2.042 3.492 . 0 0 "[ . 1]" 1
1099 1 86 LEU H 1 86 LEU QD 4.400 . 4.400 2.894 2.034 3.148 . 0 0 "[ . 1]" 1
1100 1 86 LEU H 1 86 LEU MD2 5.240 . 5.240 3.571 3.393 3.796 . 0 0 "[ . 1]" 1
1101 1 86 LEU H 1 86 LEU HG 4.830 . 4.830 2.583 2.175 3.949 . 0 0 "[ . 1]" 1
1102 1 86 LEU H 1 87 ARG H 5.880 . 5.880 2.514 2.433 2.635 . 0 0 "[ . 1]" 1
1103 1 86 LEU H 1 87 ARG QB 6.040 . 6.040 4.316 4.196 4.507 . 0 0 "[ . 1]" 1
1104 1 86 LEU H 1 89 ILE HB 6.250 . 6.250 5.038 4.787 5.611 . 0 0 "[ . 1]" 1
1105 1 86 LEU HA 1 86 LEU QD 3.070 . 3.070 2.192 2.143 2.310 . 0 0 "[ . 1]" 1
1106 1 86 LEU QB 1 95 GLU QB 4.730 . 4.730 3.156 2.510 3.655 . 0 0 "[ . 1]" 1
1107 1 86 LEU QB 1 96 ALA MB 3.150 . 3.150 2.958 2.319 3.160 0.010 8 0 "[ . 1]" 1
1108 1 86 LEU QB 1 99 ALA MB 4.600 . 4.600 3.001 2.875 3.267 . 0 0 "[ . 1]" 1
1109 1 86 LEU QD 1 87 ARG H 6.160 . 6.160 4.144 3.858 4.286 . 0 0 "[ . 1]" 1
1110 1 86 LEU QD 1 95 GLU QB 3.170 . 3.170 2.674 2.044 3.213 0.043 3 0 "[ . 1]" 1
1111 1 86 LEU QD 1 96 ALA H 6.160 . 6.160 4.147 3.423 4.382 . 0 0 "[ . 1]" 1
1112 1 86 LEU QD 1 96 ALA HA 3.680 . 3.680 3.249 2.646 3.379 . 0 0 "[ . 1]" 1
1113 1 86 LEU QD 1 96 ALA MB 4.050 . 4.050 3.988 3.518 4.141 0.091 2 0 "[ . 1]" 1
1114 1 86 LEU QD 1 99 ALA MB 3.310 . 3.310 2.068 1.879 2.432 . 0 0 "[ . 1]" 1
1115 1 86 LEU MD1 1 95 GLU HB2 5.470 . 5.470 4.626 3.731 5.446 . 0 0 "[ . 1]" 1
1116 1 86 LEU MD1 1 95 GLU HB3 5.470 . 5.470 3.608 2.333 4.732 . 0 0 "[ . 1]" 1
1117 1 86 LEU MD1 1 96 ALA HA 4.690 . 4.690 3.653 3.230 4.845 0.155 2 0 "[ . 1]" 1
1118 1 86 LEU MD1 1 99 ALA MB 4.120 . 4.120 2.364 1.883 3.850 . 0 0 "[ . 1]" 1
1119 1 86 LEU MD2 1 95 GLU HB2 5.470 . 5.470 3.784 3.057 4.424 . 0 0 "[ . 1]" 1
1120 1 86 LEU MD2 1 95 GLU HB3 5.470 . 5.470 3.009 2.218 3.577 . 0 0 "[ . 1]" 1
1121 1 86 LEU MD2 1 96 ALA HA 4.690 . 4.690 4.269 2.665 4.770 0.080 7 0 "[ . 1]" 1
1122 1 86 LEU MD2 1 99 ALA MB 4.120 . 4.120 3.768 2.243 4.219 0.099 4 0 "[ . 1]" 1
1123 1 86 LEU HG 1 99 ALA MB 5.070 . 5.070 4.243 3.985 4.952 . 0 0 "[ . 1]" 1
1124 1 87 ARG H 1 87 ARG QD 5.190 . 5.190 4.418 3.674 4.665 . 0 0 "[ . 1]" 1
1125 1 87 ARG H 1 87 ARG HG2 4.890 . 4.890 3.999 2.398 4.552 . 0 0 "[ . 1]" 1
1126 1 87 ARG H 1 87 ARG QG 4.210 . 4.210 3.472 2.317 3.961 . 0 0 "[ . 1]" 1
1127 1 87 ARG H 1 87 ARG HG3 4.890 . 4.890 3.944 2.345 4.405 . 0 0 "[ . 1]" 1
1128 1 87 ARG H 1 88 TYR H 5.450 . 5.450 2.662 2.542 2.984 . 0 0 "[ . 1]" 1
1129 1 87 ARG H 1 96 ALA HA 5.360 . 5.360 4.453 4.133 4.653 . 0 0 "[ . 1]" 1
1130 1 87 ARG HA 1 87 ARG QD 4.160 . 4.160 3.842 3.366 4.128 . 0 0 "[ . 1]" 1
1131 1 87 ARG HA 1 87 ARG HG2 4.040 . 4.040 2.877 2.455 3.119 . 0 0 "[ . 1]" 1
1132 1 87 ARG HA 1 87 ARG QG 3.420 . 3.420 2.325 2.277 2.460 . 0 0 "[ . 1]" 1
1133 1 87 ARG HA 1 87 ARG HG3 4.040 . 4.040 2.676 2.344 3.673 . 0 0 "[ . 1]" 1
1134 1 87 ARG QB 1 87 ARG QD 3.260 . 3.260 2.249 2.123 2.333 . 0 0 "[ . 1]" 1
1135 1 87 ARG QB 1 96 ALA MB 4.000 . 4.000 3.246 2.802 3.890 . 0 0 "[ . 1]" 1
1136 1 87 ARG QD 1 88 TYR H 5.740 . 5.740 5.531 5.220 5.748 0.008 7 0 "[ . 1]" 1
1137 1 87 ARG QD 1 96 ALA MB 4.010 . 4.010 3.876 3.327 4.260 0.250 2 0 "[ . 1]" 1
1138 1 87 ARG HD2 1 96 ALA MB 4.790 . 4.790 4.360 3.475 4.938 0.148 10 0 "[ . 1]" 1
1139 1 87 ARG HD3 1 96 ALA MB 4.790 . 4.790 4.530 4.253 5.039 0.249 5 0 "[ . 1]" 1
1140 1 87 ARG QG 1 88 TYR HA 6.200 . 6.200 4.803 4.149 6.096 . 0 0 "[ . 1]" 1
1141 1 88 TYR H 1 89 ILE H 5.230 . 5.230 2.954 1.988 3.624 . 0 0 "[ . 1]" 1
1142 1 88 TYR H 1 89 ILE HB 6.250 . 6.250 3.830 3.652 4.327 . 0 0 "[ . 1]" 1
1143 1 88 TYR H 1 89 ILE MD 6.250 . 6.250 5.382 5.242 5.736 . 0 0 "[ . 1]" 1
1144 1 88 TYR H 1 89 ILE MG 6.250 . 6.250 3.851 3.234 4.361 . 0 0 "[ . 1]" 1
1145 1 88 TYR HA 1 89 ILE HB 6.250 . 6.250 5.058 4.954 5.207 . 0 0 "[ . 1]" 1
1146 1 88 TYR HA 1 89 ILE MG 4.940 . 4.940 4.479 4.169 4.922 . 0 0 "[ . 1]" 1
1147 1 89 ILE H 1 89 ILE MD 4.880 . 4.880 4.660 4.645 4.674 . 0 0 "[ . 1]" 1
1148 1 89 ILE H 1 89 ILE QG 4.940 . 4.940 4.126 4.093 4.164 . 0 0 "[ . 1]" 1
1149 1 89 ILE H 1 89 ILE MG 4.780 . 4.780 2.187 2.087 2.291 . 0 0 "[ . 1]" 1
1150 1 89 ILE H 1 90 GLU H 6.250 . 6.250 4.415 4.367 4.475 . 0 0 "[ . 1]" 1
1151 1 89 ILE HA 1 89 ILE MD 4.160 . 4.160 3.677 3.581 3.719 . 0 0 "[ . 1]" 1
1152 1 89 ILE HA 1 89 ILE QG 3.140 . 3.140 2.261 2.239 2.306 . 0 0 "[ . 1]" 1
1153 1 89 ILE HA 1 89 ILE MG 3.320 . 3.320 3.215 3.209 3.220 . 0 0 "[ . 1]" 1
1154 1 89 ILE HA 1 90 GLU QB 4.710 . 4.710 4.367 4.095 4.705 . 0 0 "[ . 1]" 1
1155 1 89 ILE HB 1 89 ILE MD 3.070 . 3.070 2.299 2.273 2.333 . 0 0 "[ . 1]" 1
1156 1 89 ILE HB 1 90 GLU H 6.250 . 6.250 4.140 3.786 4.309 . 0 0 "[ . 1]" 1
1157 1 89 ILE HB 1 95 GLU QB 5.800 . 5.800 5.860 5.517 6.097 0.297 10 0 "[ . 1]" 1
1158 1 89 ILE MD 1 89 ILE MG 2.940 . 2.940 2.049 1.989 2.116 . 0 0 "[ . 1]" 1
1159 1 89 ILE MD 1 90 GLU H 6.250 . 6.250 4.054 3.460 4.344 . 0 0 "[ . 1]" 1
1160 1 89 ILE MD 1 95 GLU QB 5.500 . 5.500 4.632 4.366 4.885 . 0 0 "[ . 1]" 1
1161 1 89 ILE QG 1 90 GLU H 5.940 . 5.940 2.345 1.755 2.643 0.045 3 0 "[ . 1]" 1
1162 1 89 ILE QG 1 90 GLU QB 4.130 . 4.130 3.488 2.727 4.126 . 0 0 "[ . 1]" 1
1163 1 89 ILE MG 1 90 GLU H 4.380 . 4.380 3.592 3.215 3.748 . 0 0 "[ . 1]" 1
1164 1 89 ILE MG 1 90 GLU HA 5.290 . 5.290 4.368 4.077 4.739 . 0 0 "[ . 1]" 1
1165 1 89 ILE MG 1 90 GLU QB 4.770 . 4.770 4.281 2.781 4.886 0.116 8 0 "[ . 1]" 1
1166 1 89 ILE MG 1 95 GLU H 5.720 . 5.720 5.260 4.890 5.487 . 0 0 "[ . 1]" 1
1167 1 89 ILE MG 1 95 GLU QB 4.000 . 4.000 3.460 3.028 3.735 . 0 0 "[ . 1]" 1
1168 1 94 VAL H 1 94 VAL HB 4.160 . 4.160 3.221 2.446 3.959 . 0 0 "[ . 1]" 1
1169 1 94 VAL H 1 95 GLU HA 6.250 . 6.250 4.953 4.221 5.413 . 0 0 "[ . 1]" 1
1170 1 94 VAL HA 1 98 ILE MD 5.180 . 5.180 4.582 3.480 5.294 0.114 7 0 "[ . 1]" 1
1171 1 94 VAL HB 1 95 GLU H 4.650 . 4.650 4.057 3.357 4.447 . 0 0 "[ . 1]" 1
1172 1 94 VAL HB 1 95 GLU HA 5.680 . 5.680 4.997 4.319 5.726 0.046 6 0 "[ . 1]" 1
1173 1 94 VAL HB 1 98 ILE MD 5.000 . 5.000 3.910 2.932 5.024 0.024 7 0 "[ . 1]" 1
1174 1 94 VAL QG 1 95 GLU H 5.720 . 5.720 2.878 1.987 3.668 . 0 0 "[ . 1]" 1
1175 1 94 VAL QG 1 95 GLU HA 6.060 . 6.060 3.519 2.907 4.443 . 0 0 "[ . 1]" 1
1176 1 95 GLU H 1 95 GLU QB 3.600 . 3.600 2.372 2.235 2.469 . 0 0 "[ . 1]" 1
1177 1 95 GLU H 1 96 ALA H 5.680 . 5.680 2.788 2.643 2.926 . 0 0 "[ . 1]" 1
1178 1 95 GLU H 1 96 ALA MB 6.250 . 6.250 4.398 4.237 4.512 . 0 0 "[ . 1]" 1
1179 1 95 GLU H 1 98 ILE H 5.620 . 5.620 4.939 4.725 5.237 . 0 0 "[ . 1]" 1
1180 1 95 GLU H 1 98 ILE MD 6.250 . 6.250 4.427 4.240 4.811 . 0 0 "[ . 1]" 1
1181 1 95 GLU HA 1 98 ILE H 4.690 . 4.690 3.500 3.215 3.707 . 0 0 "[ . 1]" 1
1182 1 95 GLU HA 1 98 ILE HB 3.910 . 3.910 3.029 2.717 3.343 . 0 0 "[ . 1]" 1
1183 1 95 GLU HA 1 98 ILE MD 4.000 . 4.000 2.765 2.282 3.931 . 0 0 "[ . 1]" 1
1184 1 95 GLU HA 1 98 ILE QG 6.040 . 6.040 3.878 2.834 4.439 . 0 0 "[ . 1]" 1
1185 1 95 GLU HA 1 99 ALA H 5.410 . 5.410 4.237 3.785 4.650 . 0 0 "[ . 1]" 1
1186 1 95 GLU QB 1 96 ALA MB 4.320 . 4.320 3.752 3.688 3.822 . 0 0 "[ . 1]" 1
1187 1 96 ALA H 1 96 ALA MB 3.660 . 3.660 2.205 2.165 2.228 . 0 0 "[ . 1]" 1
1188 1 96 ALA H 1 97 GLU H 6.150 . 6.150 2.740 2.690 2.780 . 0 0 "[ . 1]" 1
1189 1 96 ALA HA 1 99 ALA H 6.250 . 6.250 3.595 3.518 3.706 . 0 0 "[ . 1]" 1
1190 1 96 ALA HA 1 99 ALA MB 3.850 . 3.850 2.727 2.458 3.024 . 0 0 "[ . 1]" 1
1191 1 96 ALA HA 1 100 GLU H 6.250 . 6.250 3.809 3.562 4.105 . 0 0 "[ . 1]" 1
1192 1 96 ALA MB 1 97 GLU H 5.600 . 5.600 2.690 2.494 2.897 . 0 0 "[ . 1]" 1
1193 1 96 ALA MB 1 97 GLU HA 5.060 . 5.060 3.827 3.777 3.876 . 0 0 "[ . 1]" 1
1194 1 96 ALA MB 1 98 ILE H 5.630 . 5.630 4.751 4.625 4.878 . 0 0 "[ . 1]" 1
1195 1 96 ALA MB 1 99 ALA H 6.250 . 6.250 4.742 4.631 4.876 . 0 0 "[ . 1]" 1
1196 1 97 GLU H 1 98 ILE H 6.030 . 6.030 2.688 2.519 2.815 . 0 0 "[ . 1]" 1
1197 1 97 GLU HA 1 100 GLU H 6.250 . 6.250 3.648 3.496 3.863 . 0 0 "[ . 1]" 1
1198 1 97 GLU HA 1 100 GLU QB 3.770 . 3.770 2.770 2.485 3.078 . 0 0 "[ . 1]" 1
1199 1 97 GLU HA 1 101 ALA H 5.300 . 5.300 3.909 3.644 4.149 . 0 0 "[ . 1]" 1
1200 1 98 ILE H 1 98 ILE HB 4.070 . 4.070 2.388 2.241 2.589 . 0 0 "[ . 1]" 1
1201 1 98 ILE H 1 98 ILE MD 4.490 . 4.490 2.794 1.780 3.461 0.020 2 0 "[ . 1]" 1
1202 1 98 ILE H 1 98 ILE QG . . 4.110 2.636 1.894 3.455 . 0 0 "[ . 1]" 1
1203 1 98 ILE H 1 101 ALA MB 6.250 . 6.250 4.743 4.587 4.993 . 0 0 "[ . 1]" 1
1204 1 98 ILE HA 1 98 ILE MD 4.060 . 4.060 3.295 2.283 3.863 . 0 0 "[ . 1]" 1
1205 1 98 ILE HA 1 98 ILE QG 3.630 . 3.630 2.388 2.319 2.476 . 0 0 "[ . 1]" 1
1206 1 98 ILE HA 1 98 ILE MG 3.030 . 3.030 2.486 2.335 2.628 . 0 0 "[ . 1]" 1
1207 1 98 ILE HA 1 101 ALA H 5.430 . 5.430 3.712 3.538 3.824 . 0 0 "[ . 1]" 1
1208 1 98 ILE HA 1 101 ALA MB 3.540 . 3.540 2.838 2.534 3.099 . 0 0 "[ . 1]" 1
1209 1 98 ILE HB 1 98 ILE MD 3.050 . 3.050 2.303 2.264 2.428 . 0 0 "[ . 1]" 1
1210 1 98 ILE HB 1 99 ALA H 4.400 . 4.400 2.629 2.449 2.784 . 0 0 "[ . 1]" 1
1211 1 98 ILE QG 1 98 ILE MG . . 3.010 2.206 2.087 2.293 . 0 0 "[ . 1]" 1
1212 1 98 ILE MG 1 101 ALA MB 4.160 . 4.160 4.007 3.720 4.240 0.080 10 0 "[ . 1]" 1
1213 1 98 ILE MG 1 102 ARG HA 5.480 . 5.480 4.895 4.633 5.404 . 0 0 "[ . 1]" 1
1214 1 99 ALA H 1 100 GLU H 5.770 . 5.770 2.713 2.620 2.820 . 0 0 "[ . 1]" 1
1215 1 99 ALA H 1 100 GLU QB 5.260 . 5.260 4.447 4.374 4.584 . 0 0 "[ . 1]" 1
1216 1 99 ALA HA 1 102 ARG H 5.150 . 5.150 3.496 3.332 3.635 . 0 0 "[ . 1]" 1
1217 1 99 ALA MB 1 100 GLU H 4.240 . 4.240 2.339 2.241 2.428 . 0 0 "[ . 1]" 1
1218 1 99 ALA MB 1 100 GLU QB 4.080 . 4.080 3.781 3.661 4.156 0.076 1 0 "[ . 1]" 1
1219 1 99 ALA MB 1 102 ARG H 5.560 . 5.560 4.616 4.500 4.700 . 0 0 "[ . 1]" 1
1220 1 100 GLU H 1 101 ALA H 5.550 . 5.550 2.797 2.752 2.840 . 0 0 "[ . 1]" 1
1221 1 100 GLU H 1 103 ALA MB 4.970 . 4.970 4.678 4.487 4.834 . 0 0 "[ . 1]" 1
1222 1 100 GLU HA 1 103 ALA H 5.350 . 5.350 3.745 3.634 3.834 . 0 0 "[ . 1]" 1
1223 1 100 GLU HA 1 103 ALA MB 3.250 . 3.250 2.909 2.745 3.141 . 0 0 "[ . 1]" 1
1224 1 100 GLU QB 1 101 ALA HA 4.220 . 4.220 4.056 3.889 4.146 . 0 0 "[ . 1]" 1
1225 1 100 GLU QB 1 101 ALA MB 4.010 . 4.010 3.722 3.659 3.791 . 0 0 "[ . 1]" 1
1226 1 100 GLU QB 1 103 ALA H 5.600 . 5.600 5.105 5.007 5.190 . 0 0 "[ . 1]" 1
1227 1 101 ALA H 1 101 ALA MB 3.400 . 3.400 2.243 2.235 2.253 . 0 0 "[ . 1]" 1
1228 1 101 ALA H 1 102 ARG H 5.590 . 5.590 2.611 2.561 2.668 . 0 0 "[ . 1]" 1
1229 1 101 ALA H 1 103 ALA H 6.250 . 6.250 4.088 3.948 4.228 . 0 0 "[ . 1]" 1
1230 1 101 ALA HA 1 104 LYS H 5.690 . 5.690 3.551 3.393 3.709 . 0 0 "[ . 1]" 1
1231 1 101 ALA MB 1 102 ARG H 4.030 . 4.030 2.451 2.344 2.522 . 0 0 "[ . 1]" 1
1232 1 101 ALA MB 1 102 ARG HA 4.780 . 4.780 3.800 3.765 3.822 . 0 0 "[ . 1]" 1
1233 1 102 ARG HA 1 105 LEU H 5.600 . 5.600 3.570 3.192 3.957 . 0 0 "[ . 1]" 1
1234 1 102 ARG HA 1 105 LEU QB 3.680 . 3.680 2.763 2.293 3.833 0.153 2 0 "[ . 1]" 1
1235 1 102 ARG HA 1 105 LEU QD 4.020 . 4.020 3.299 2.807 3.678 . 0 0 "[ . 1]" 1
1236 1 103 ALA H 1 103 ALA MB 3.430 . 3.430 2.227 2.213 2.246 . 0 0 "[ . 1]" 1
1237 1 103 ALA H 1 104 LYS H 5.440 . 5.440 2.646 2.448 2.816 . 0 0 "[ . 1]" 1
1238 1 103 ALA H 1 105 LEU QB 6.040 . 6.040 4.804 4.459 5.266 . 0 0 "[ . 1]" 1
1239 1 104 LYS H 1 105 LEU H 5.290 . 5.290 2.546 2.242 2.715 . 0 0 "[ . 1]" 1
1240 1 105 LEU H 1 105 LEU HB2 4.180 . 4.180 2.545 2.249 3.073 . 0 0 "[ . 1]" 1
1241 1 105 LEU H 1 105 LEU HB3 4.180 . 4.180 2.944 2.544 3.985 . 0 0 "[ . 1]" 1
1242 1 105 LEU H 1 105 LEU QD 4.840 . 4.840 3.746 3.451 3.868 . 0 0 "[ . 1]" 1
1243 1 105 LEU H 1 105 LEU HG 5.140 . 5.140 4.360 3.619 4.871 . 0 0 "[ . 1]" 1
1244 1 105 LEU H 1 106 GLU H 6.230 . 6.230 4.081 2.641 4.616 . 0 0 "[ . 1]" 1
1245 1 105 LEU HA 1 105 LEU MD1 4.020 . 4.020 2.968 2.130 3.762 . 0 0 "[ . 1]" 1
1246 1 105 LEU HA 1 105 LEU QD 3.450 . 3.450 2.294 2.013 2.565 . 0 0 "[ . 1]" 1
1247 1 105 LEU HA 1 105 LEU MD2 4.020 . 4.020 3.008 2.192 3.862 . 0 0 "[ . 1]" 1
1248 1 105 LEU QB 1 105 LEU QD 2.850 . 2.850 1.944 1.921 2.032 . 0 0 "[ . 1]" 1
1249 1 105 LEU QD 1 106 GLU H 4.950 . 4.950 2.731 1.652 3.955 0.148 2 0 "[ . 1]" 1
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