NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398450 |
1tiz   |
6209 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tiz
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 1279
_Distance_constraint_stats_list.Viol_count 1414
_Distance_constraint_stats_list.Viol_total 3218.684
_Distance_constraint_stats_list.Viol_max 0.448
_Distance_constraint_stats_list.Viol_rms 0.0352
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.1138
_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 2 SER 1.673 0.154 4 0 "[ . 1 . 2]"
1 3 ALA 0.125 0.052 1 0 "[ . 1 . 2]"
1 4 LYS 1.137 0.154 4 0 "[ . 1 . 2]"
1 5 ARG 0.304 0.104 4 0 "[ . 1 . 2]"
1 6 VAL 0.208 0.104 4 0 "[ . 1 . 2]"
1 7 PHE 0.378 0.052 18 0 "[ . 1 . 2]"
1 8 GLU 0.253 0.075 18 0 "[ . 1 . 2]"
1 9 LYS 3.250 0.186 8 0 "[ . 1 . 2]"
1 10 PHE 8.944 0.296 19 0 "[ . 1 . 2]"
1 11 ASP 4.351 0.200 19 0 "[ . 1 . 2]"
1 12 LYS 15.094 0.296 19 0 "[ . 1 . 2]"
1 13 ASN 6.794 0.382 13 0 "[ . 1 . 2]"
1 14 LYS 6.181 0.195 18 0 "[ . 1 . 2]"
1 15 ASP 6.399 0.313 17 0 "[ . 1 . 2]"
1 16 GLY 8.608 0.313 17 0 "[ . 1 . 2]"
1 17 LYS 17.146 0.344 20 0 "[ . 1 . 2]"
1 18 LEU 22.901 0.434 16 0 "[ . 1 . 2]"
1 19 SER 0.731 0.049 6 0 "[ . 1 . 2]"
1 20 LEU 11.437 0.435 12 0 "[ . 1 . 2]"
1 21 ASP 7.782 0.435 12 0 "[ . 1 . 2]"
1 22 GLU 14.100 0.434 16 0 "[ . 1 . 2]"
1 23 PHE 4.971 0.166 7 0 "[ . 1 . 2]"
1 24 ARG 1.670 0.319 20 0 "[ . 1 . 2]"
1 25 GLU 1.366 0.105 13 0 "[ . 1 . 2]"
1 26 VAL 3.332 0.143 10 0 "[ . 1 . 2]"
1 27 ALA 0.016 0.012 5 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 0.016 0.012 5 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PHE 0.342 0.048 6 0 "[ . 1 . 2]"
1 35 THR 0.640 0.294 19 0 "[ . 1 . 2]"
1 36 GLN 4.873 0.307 1 0 "[ . 1 . 2]"
1 37 GLU 7.301 0.384 14 0 "[ . 1 . 2]"
1 38 ASP 0.774 0.124 19 0 "[ . 1 . 2]"
1 39 ILE 3.358 0.386 11 0 "[ . 1 . 2]"
1 40 VAL 15.414 0.384 14 0 "[ . 1 . 2]"
1 41 LYS 2.369 0.166 7 0 "[ . 1 . 2]"
1 42 PHE 3.346 0.386 11 0 "[ . 1 . 2]"
1 43 PHE 0.228 0.113 17 0 "[ . 1 . 2]"
1 44 GLU 1.311 0.140 20 0 "[ . 1 . 2]"
1 45 GLU 3.449 0.336 6 0 "[ . 1 . 2]"
1 46 ILE 2.082 0.117 3 0 "[ . 1 . 2]"
1 47 ASP 0.507 0.134 9 0 "[ . 1 . 2]"
1 48 VAL 8.991 0.229 9 0 "[ . 1 . 2]"
1 49 ASP 10.986 0.339 17 0 "[ . 1 . 2]"
1 50 GLY 6.720 0.339 17 0 "[ . 1 . 2]"
1 51 ASN 2.591 0.166 15 0 "[ . 1 . 2]"
1 52 GLY 2.563 0.187 13 0 "[ . 1 . 2]"
1 53 GLU 7.671 0.191 3 0 "[ . 1 . 2]"
1 54 LEU 10.880 0.219 2 0 "[ . 1 . 2]"
1 55 ASN 5.749 0.133 16 0 "[ . 1 . 2]"
1 56 ALA 3.991 0.148 16 0 "[ . 1 . 2]"
1 57 ASP 1.439 0.059 16 0 "[ . 1 . 2]"
1 58 GLU 7.586 0.446 15 0 "[ . 1 . 2]"
1 59 PHE 9.101 0.446 15 0 "[ . 1 . 2]"
1 60 THR 0.142 0.053 20 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.504 0.107 4 0 "[ . 1 . 2]"
1 65 LYS 7.064 0.272 18 0 "[ . 1 . 2]"
1 66 MET 7.773 0.448 2 0 "[ . 1 . 2]"
1 67 LEU 8.266 0.448 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 55 ASN HA 1 56 ALA HA 3.700 . 5.600 4.324 4.282 4.340 . 0 0 "[ . 1 . 2]" 1
2 1 46 ILE MG 1 47 ASP HA 3.700 . 5.600 3.038 3.017 3.063 . 0 0 "[ . 1 . 2]" 1
3 1 18 LEU H 1 18 LEU HB2 3.600 . 5.400 2.373 2.339 2.401 . 0 0 "[ . 1 . 2]" 1
4 1 52 GLY HA2 1 53 GLU HG3 3.700 . 5.600 4.508 4.355 5.787 0.187 13 0 "[ . 1 . 2]" 1
5 1 3 ALA HA 1 4 LYS H 3.700 . 5.600 3.515 3.486 3.532 . 0 0 "[ . 1 . 2]" 1
6 1 3 ALA HA 1 7 PHE H 3.700 . 5.600 3.932 3.717 4.129 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER HA 1 3 ALA HA 3.700 . 5.600 4.702 4.640 4.733 . 0 0 "[ . 1 . 2]" 1
8 1 3 ALA HA 1 6 VAL HB 3.400 . 5.000 3.224 3.153 3.311 . 0 0 "[ . 1 . 2]" 1
9 1 27 ALA HA 1 29 ALA H 3.700 . 5.600 4.295 4.184 4.402 . 0 0 "[ . 1 . 2]" 1
10 1 66 MET HB2 1 67 LEU HA 3.700 . 5.600 4.679 4.076 5.588 . 0 0 "[ . 1 . 2]" 1
11 1 67 LEU HA 1 67 LEU HG 3.000 . 4.200 3.451 2.353 3.733 . 0 0 "[ . 1 . 2]" 1
12 1 18 LEU HA 1 19 SER HA 3.700 . 5.600 4.385 4.364 4.397 . 0 0 "[ . 1 . 2]" 1
13 1 53 GLU HA 1 54 LEU HA 3.700 . 5.600 4.363 4.350 4.368 . 0 0 "[ . 1 . 2]" 1
14 1 18 LEU HA 1 18 LEU HG 3.600 . 5.400 2.196 2.160 2.272 . 0 0 "[ . 1 . 2]" 1
15 1 29 ALA HA 1 30 PHE H 3.600 . 5.400 3.593 3.582 3.603 . 0 0 "[ . 1 . 2]" 1
16 1 17 LYS HA 1 17 LYS HD3 3.700 . 5.600 3.741 3.711 3.791 . 0 0 "[ . 1 . 2]" 1
17 1 17 LYS HA 1 17 LYS HG3 3.500 . 5.100 2.422 2.357 2.469 . 0 0 "[ . 1 . 2]" 1
18 1 17 LYS HA 1 54 LEU HB2 3.700 . 5.600 4.001 3.893 4.187 . 0 0 "[ . 1 . 2]" 1
19 1 20 LEU HA 1 23 PHE HB3 3.400 . 5.000 2.437 2.299 2.589 . 0 0 "[ . 1 . 2]" 1
20 1 19 SER HA 1 20 LEU HB3 3.700 . 5.600 4.970 4.892 5.022 . 0 0 "[ . 1 . 2]" 1
21 1 23 PHE HB3 1 26 VAL MG1 3.700 . 5.600 4.492 4.362 4.581 . 0 0 "[ . 1 . 2]" 1
22 1 15 ASP HA 1 15 ASP HB3 3.000 . 4.200 2.851 2.603 3.022 . 0 0 "[ . 1 . 2]" 1
23 1 34 PHE HA 1 38 ASP HB3 3.700 . 5.600 4.638 3.611 5.448 . 0 0 "[ . 1 . 2]" 1
24 1 20 LEU HB3 1 20 LEU MD2 3.200 . 4.600 3.150 3.139 3.170 . 0 0 "[ . 1 . 2]" 1
25 1 21 ASP HA 1 21 ASP HB3 2.700 . 3.600 2.611 2.324 3.024 . 0 0 "[ . 1 . 2]" 1
26 1 10 PHE H 1 10 PHE HB3 3.100 . 4.400 3.661 3.641 3.670 . 0 0 "[ . 1 . 2]" 1
27 1 43 PHE HA 1 43 PHE HB3 3.000 . 4.200 3.021 3.017 3.025 . 0 0 "[ . 1 . 2]" 1
28 1 23 PHE HB3 1 24 ARG H 3.700 . 5.600 3.009 2.932 3.123 . 0 0 "[ . 1 . 2]" 1
29 1 9 LYS HE3 1 9 LYS HG2 3.100 . 4.400 2.748 2.264 3.673 . 0 0 "[ . 1 . 2]" 1
30 1 41 LYS HD3 1 41 LYS HE3 2.900 . 4.000 2.680 2.366 3.035 . 0 0 "[ . 1 . 2]" 1
31 1 9 LYS HB3 1 9 LYS HE3 3.500 . 5.200 4.400 3.150 5.219 0.019 12 0 "[ . 1 . 2]" 1
32 1 9 LYS HD3 1 9 LYS HE3 2.900 . 4.000 2.599 2.344 3.028 . 0 0 "[ . 1 . 2]" 1
33 1 14 LYS HE3 1 14 LYS HG3 3.200 . 4.600 3.462 2.551 4.245 . 0 0 "[ . 1 . 2]" 1
34 1 67 LEU HB2 1 67 LEU HG 3.000 . 4.200 2.548 2.374 3.038 . 0 0 "[ . 1 . 2]" 1
35 1 14 LYS HD2 1 14 LYS HE3 2.900 . 4.000 2.526 2.261 3.028 . 0 0 "[ . 1 . 2]" 1
36 1 12 LYS HD3 1 12 LYS HE3 2.800 . 3.800 2.682 2.351 3.030 . 0 0 "[ . 1 . 2]" 1
37 1 14 LYS HE2 1 14 LYS HG3 3.200 . 4.600 3.293 2.369 4.250 . 0 0 "[ . 1 . 2]" 1
38 1 41 LYS HB3 1 65 LYS HE3 3.500 . 5.200 5.285 5.205 5.366 0.166 7 0 "[ . 1 . 2]" 1
39 1 34 PHE HA 1 38 ASP HB2 3.700 . 5.600 3.841 3.458 4.364 . 0 0 "[ . 1 . 2]" 1
40 1 58 GLU H 1 59 PHE HB3 3.700 . 5.600 5.799 5.403 6.046 0.446 15 0 "[ . 1 . 2]" 1
41 1 35 THR H 1 38 ASP HB2 3.700 . 5.600 2.717 2.311 3.856 . 0 0 "[ . 1 . 2]" 1
42 1 59 PHE H 1 59 PHE HB2 3.600 . 5.400 2.214 2.014 2.791 . 0 0 "[ . 1 . 2]" 1
43 1 35 THR H 1 38 ASP HB3 3.700 . 5.600 3.995 2.947 4.546 . 0 0 "[ . 1 . 2]" 1
44 1 28 LEU HB2 1 29 ALA H 3.700 . 5.600 2.942 2.907 2.968 . 0 0 "[ . 1 . 2]" 1
45 1 25 GLU H 1 28 LEU HB2 3.700 . 5.600 4.739 4.639 4.812 . 0 0 "[ . 1 . 2]" 1
46 1 61 SER HA 1 61 SER HB3 2.900 . 4.000 3.024 3.017 3.036 . 0 0 "[ . 1 . 2]" 1
47 1 59 PHE HA 1 60 THR H 3.700 . 5.600 3.585 3.572 3.600 . 0 0 "[ . 1 . 2]" 1
48 1 6 VAL HB 1 7 PHE HA 3.700 . 5.600 5.437 5.378 5.531 . 0 0 "[ . 1 . 2]" 1
49 1 7 PHE HA 1 10 PHE HB2 3.700 . 5.600 2.783 2.620 3.140 . 0 0 "[ . 1 . 2]" 1
50 1 7 PHE HA 1 8 GLU H 3.700 . 5.600 3.602 3.574 3.625 . 0 0 "[ . 1 . 2]" 1
51 1 48 VAL HA 1 50 GLY H 3.700 . 5.600 3.791 3.750 3.838 . 0 0 "[ . 1 . 2]" 1
52 1 26 VAL HA 1 27 ALA H 3.700 . 5.600 3.503 3.492 3.512 . 0 0 "[ . 1 . 2]" 1
53 1 4 LYS HA 1 4 LYS HG3 3.500 . 5.200 2.700 2.467 3.344 . 0 0 "[ . 1 . 2]" 1
54 1 10 PHE HA 1 12 LYS HD3 3.700 . 5.600 5.737 5.690 5.772 0.172 17 0 "[ . 1 . 2]" 1
55 1 21 ASP HA 1 22 GLU H 3.700 . 5.600 3.673 3.660 3.693 . 0 0 "[ . 1 . 2]" 1
56 1 65 LYS HA 1 65 LYS HD3 3.700 . 5.600 3.905 2.226 4.483 . 0 0 "[ . 1 . 2]" 1
57 1 65 LYS HA 1 65 LYS HG3 3.300 . 4.800 2.445 2.027 3.513 . 0 0 "[ . 1 . 2]" 1
58 1 14 LYS HA 1 14 LYS HD3 3.100 . 4.400 4.186 3.851 4.465 0.065 5 0 "[ . 1 . 2]" 1
59 1 14 LYS HA 1 14 LYS HG3 2.900 . 4.000 3.107 2.547 3.516 . 0 0 "[ . 1 . 2]" 1
60 1 65 LYS HA 1 65 LYS HB3 3.000 . 4.200 3.012 2.931 3.038 . 0 0 "[ . 1 . 2]" 1
61 1 25 GLU HA 1 25 GLU HG3 3.100 . 4.400 2.717 2.311 3.662 . 0 0 "[ . 1 . 2]" 1
62 1 58 GLU HA 1 58 GLU HG3 3.300 . 4.800 3.646 3.624 3.671 . 0 0 "[ . 1 . 2]" 1
63 1 8 GLU HA 1 8 GLU HB2 2.800 . 3.800 2.806 2.263 3.035 . 0 0 "[ . 1 . 2]" 1
64 1 44 GLU HA 1 44 GLU HG3 3.100 . 4.400 3.697 2.783 3.776 . 0 0 "[ . 1 . 2]" 1
65 1 44 GLU HA 1 44 GLU HG2 2.800 . 3.800 2.691 2.608 2.805 . 0 0 "[ . 1 . 2]" 1
66 1 9 LYS HA 1 9 LYS HG2 3.500 . 5.200 3.048 2.229 3.922 . 0 0 "[ . 1 . 2]" 1
67 1 22 GLU HA 1 22 GLU HG3 3.400 . 5.000 2.674 2.286 3.517 . 0 0 "[ . 1 . 2]" 1
68 1 45 GLU HA 1 45 GLU HB3 2.900 . 4.000 2.994 2.981 3.024 . 0 0 "[ . 1 . 2]" 1
69 1 5 ARG HA 1 8 GLU HB3 3.400 . 5.000 3.963 2.445 4.530 . 0 0 "[ . 1 . 2]" 1
70 1 62 CYS HA 1 65 LYS H 3.700 . 5.600 3.821 3.258 3.982 . 0 0 "[ . 1 . 2]" 1
71 1 23 PHE HA 1 26 VAL HB 3.500 . 5.200 1.691 1.657 1.726 0.143 10 0 "[ . 1 . 2]" 1
72 1 61 SER HA 1 62 CYS H 3.700 . 5.600 3.451 3.422 3.541 . 0 0 "[ . 1 . 2]" 1
73 1 62 CYS HA 1 65 LYS HB3 3.700 . 5.600 4.630 3.391 5.556 . 0 0 "[ . 1 . 2]" 1
74 1 23 PHE HA 1 27 ALA H 3.700 . 5.600 3.654 3.503 3.720 . 0 0 "[ . 1 . 2]" 1
75 1 41 LYS HA 1 41 LYS HB3 2.800 . 3.800 3.047 3.043 3.051 . 0 0 "[ . 1 . 2]" 1
76 1 41 LYS HA 1 41 LYS HG2 3.300 . 4.800 3.052 2.274 3.755 . 0 0 "[ . 1 . 2]" 1
77 1 37 GLU HA 1 37 GLU HG3 3.400 . 5.000 2.839 2.335 3.782 . 0 0 "[ . 1 . 2]" 1
78 1 37 GLU HA 1 40 VAL HB 3.000 . 4.200 4.556 4.543 4.584 0.384 14 0 "[ . 1 . 2]" 1
79 1 24 ARG HA 1 24 ARG HG2 3.500 . 5.200 3.030 2.366 3.824 . 0 0 "[ . 1 . 2]" 1
80 1 37 GLU HA 1 39 ILE H 3.700 . 5.600 4.406 4.308 4.512 . 0 0 "[ . 1 . 2]" 1
81 1 9 LYS HA 1 9 LYS HD2 3.700 . 5.600 3.250 2.301 3.962 . 0 0 "[ . 1 . 2]" 1
82 1 37 GLU HB2 1 37 GLU HG2 3.000 . 4.200 2.851 2.521 3.037 . 0 0 "[ . 1 . 2]" 1
83 1 65 LYS HD3 1 65 LYS HE3 3.000 . 4.200 2.675 2.329 3.043 . 0 0 "[ . 1 . 2]" 1
84 1 45 GLU HB3 1 46 ILE H 3.700 . 5.600 2.659 2.593 2.790 . 0 0 "[ . 1 . 2]" 1
85 1 45 GLU H 1 45 GLU HB3 3.600 . 5.400 2.756 2.269 2.902 . 0 0 "[ . 1 . 2]" 1
86 1 17 LYS HD3 1 55 ASN HA 3.700 . 5.600 4.880 4.773 4.920 . 0 0 "[ . 1 . 2]" 1
87 1 24 ARG H 1 24 ARG HG3 3.700 . 5.600 4.385 3.892 4.552 . 0 0 "[ . 1 . 2]" 1
88 1 24 ARG H 1 24 ARG HG2 3.700 . 5.600 4.435 4.283 4.580 . 0 0 "[ . 1 . 2]" 1
89 1 63 ILE H 1 63 ILE HG13 3.700 . 5.600 3.876 3.595 4.336 . 0 0 "[ . 1 . 2]" 1
90 1 35 THR MG 1 36 GLN HB3 3.700 . 5.600 4.484 4.147 4.541 . 0 0 "[ . 1 . 2]" 1
91 1 9 LYS HA 1 9 LYS HD3 3.700 . 5.600 2.412 2.102 3.558 . 0 0 "[ . 1 . 2]" 1
92 1 37 GLU HA 1 37 GLU HB2 3.000 . 4.200 2.819 2.453 3.044 . 0 0 "[ . 1 . 2]" 1
93 1 10 PHE HB2 1 26 VAL HB 3.700 . 5.600 5.657 5.588 5.721 0.121 20 0 "[ . 1 . 2]" 1
94 1 5 ARG H 1 5 ARG HB3 3.500 . 5.200 2.700 2.585 2.872 . 0 0 "[ . 1 . 2]" 1
95 1 32 PRO HB2 1 33 TYR H 3.700 . 5.600 3.556 3.403 3.830 . 0 0 "[ . 1 . 2]" 1
96 1 18 LEU HB2 1 22 GLU HB2 3.700 . 5.600 4.244 3.926 5.485 . 0 0 "[ . 1 . 2]" 1
97 1 5 ARG HB3 1 6 VAL H 3.700 . 5.600 2.205 2.129 2.330 . 0 0 "[ . 1 . 2]" 1
98 1 42 PHE HA 1 45 GLU HB2 3.700 . 5.600 2.693 2.296 3.785 . 0 0 "[ . 1 . 2]" 1
99 1 42 PHE HA 1 45 GLU HB3 3.700 . 5.600 2.452 2.112 3.336 . 0 0 "[ . 1 . 2]" 1
100 1 22 GLU HA 1 25 GLU HB3 3.700 . 5.600 3.511 2.572 4.490 . 0 0 "[ . 1 . 2]" 1
101 1 24 ARG HB3 1 24 ARG HD3 3.400 . 5.000 2.936 2.626 3.613 . 0 0 "[ . 1 . 2]" 1
102 1 5 ARG HB3 1 5 ARG HD3 3.500 . 5.200 3.045 2.319 3.767 . 0 0 "[ . 1 . 2]" 1
103 1 34 PHE HB3 1 39 ILE HG13 3.700 . 5.600 2.326 2.238 2.467 . 0 0 "[ . 1 . 2]" 1
104 1 38 ASP HB3 1 39 ILE HG13 3.700 . 5.600 4.147 3.041 5.086 . 0 0 "[ . 1 . 2]" 1
105 1 39 ILE HG13 1 42 PHE HB3 3.700 . 5.600 5.764 5.636 5.986 0.386 11 0 "[ . 1 . 2]" 1
106 1 6 VAL HA 1 9 LYS H 3.700 . 5.600 3.502 3.333 3.713 . 0 0 "[ . 1 . 2]" 1
107 1 40 VAL HA 1 44 GLU HB3 3.700 . 5.600 5.640 5.481 5.740 0.140 20 0 "[ . 1 . 2]" 1
108 1 39 ILE HA 1 39 ILE HG12 3.700 . 5.600 2.823 2.754 2.899 . 0 0 "[ . 1 . 2]" 1
109 1 39 ILE HA 1 39 ILE HG13 3.700 . 5.600 2.909 2.733 3.047 . 0 0 "[ . 1 . 2]" 1
110 1 39 ILE HA 1 42 PHE HB3 3.700 . 5.600 3.114 2.893 3.442 . 0 0 "[ . 1 . 2]" 1
111 1 41 LYS HA 1 41 LYS HG3 3.700 . 5.600 2.614 2.332 3.585 . 0 0 "[ . 1 . 2]" 1
112 1 14 LYS HD2 1 14 LYS HG3 2.900 . 4.000 2.435 2.295 3.030 . 0 0 "[ . 1 . 2]" 1
113 1 65 LYS HB3 1 65 LYS HG3 2.900 . 4.000 2.880 2.476 3.021 . 0 0 "[ . 1 . 2]" 1
114 1 41 LYS HD3 1 41 LYS HG3 2.900 . 4.000 2.897 2.448 3.034 . 0 0 "[ . 1 . 2]" 1
115 1 5 ARG HB3 1 5 ARG HG2 3.000 . 4.200 2.549 2.264 3.040 . 0 0 "[ . 1 . 2]" 1
116 1 5 ARG H 1 5 ARG HG2 3.700 . 5.600 4.521 4.223 4.667 . 0 0 "[ . 1 . 2]" 1
117 1 62 CYS HB2 1 63 ILE H 3.700 . 5.600 3.667 3.053 4.148 . 0 0 "[ . 1 . 2]" 1
118 1 62 CYS HB3 1 63 ILE H 3.700 . 5.600 2.574 2.247 2.933 . 0 0 "[ . 1 . 2]" 1
119 1 62 CYS H 1 62 CYS HB3 3.600 . 5.400 2.676 2.146 3.206 . 0 0 "[ . 1 . 2]" 1
120 1 35 THR HB 1 36 GLN HB2 3.700 . 5.600 5.306 5.226 5.805 0.205 19 0 "[ . 1 . 2]" 1
121 1 5 ARG HA 1 5 ARG HG3 3.600 . 5.400 2.706 2.357 3.601 . 0 0 "[ . 1 . 2]" 1
122 1 5 ARG HA 1 5 ARG HG2 3.600 . 5.400 2.979 2.228 3.718 . 0 0 "[ . 1 . 2]" 1
123 1 24 ARG HA 1 24 ARG HG3 3.700 . 5.600 2.568 2.325 3.069 . 0 0 "[ . 1 . 2]" 1
124 1 62 CYS HB3 1 63 ILE HG13 3.700 . 5.600 4.853 4.405 5.439 . 0 0 "[ . 1 . 2]" 1
125 1 32 PRO HA 1 32 PRO HG3 3.700 . 5.600 3.927 3.853 3.984 . 0 0 "[ . 1 . 2]" 1
126 1 20 LEU HA 1 20 LEU HG 3.700 . 5.600 3.500 3.449 3.622 . 0 0 "[ . 1 . 2]" 1
127 1 8 GLU HB3 1 8 GLU HG3 3.000 . 4.200 2.818 2.504 3.033 . 0 0 "[ . 1 . 2]" 1
128 1 5 ARG HA 1 8 GLU HG2 3.600 . 5.400 4.034 2.485 4.849 . 0 0 "[ . 1 . 2]" 1
129 1 5 ARG HA 1 8 GLU HG3 3.700 . 5.600 3.424 2.805 4.233 . 0 0 "[ . 1 . 2]" 1
130 1 44 GLU HB2 1 44 GLU HG2 2.700 . 3.600 2.678 2.635 3.008 . 0 0 "[ . 1 . 2]" 1
131 1 42 PHE HB3 1 43 PHE H 3.600 . 5.400 2.559 2.358 2.877 . 0 0 "[ . 1 . 2]" 1
132 1 49 ASP HA 1 49 ASP HB3 2.900 . 4.000 2.882 2.853 2.919 . 0 0 "[ . 1 . 2]" 1
133 1 40 VAL HA 1 43 PHE HB2 3.500 . 5.200 3.594 3.477 3.726 . 0 0 "[ . 1 . 2]" 1
134 1 46 ILE MG 1 47 ASP HB3 3.700 . 5.600 3.944 3.265 4.543 . 0 0 "[ . 1 . 2]" 1
135 1 33 TYR HB3 1 34 PHE H 3.500 . 5.200 4.392 4.282 4.561 . 0 0 "[ . 1 . 2]" 1
136 1 11 ASP HB2 1 12 LYS H 3.700 . 5.600 4.322 4.160 4.594 . 0 0 "[ . 1 . 2]" 1
137 1 46 ILE MG 1 47 ASP HB2 3.700 . 5.600 3.442 3.100 4.472 . 0 0 "[ . 1 . 2]" 1
138 1 47 ASP HB3 1 48 VAL H 3.700 . 5.600 4.508 4.206 4.710 . 0 0 "[ . 1 . 2]" 1
139 1 32 PRO HA 1 32 PRO HB3 3.000 . 4.200 2.283 2.270 2.295 . 0 0 "[ . 1 . 2]" 1
140 1 32 PRO HB2 1 32 PRO HD3 3.600 . 5.400 3.938 3.928 3.964 . 0 0 "[ . 1 . 2]" 1
141 1 17 LYS HB3 1 17 LYS HG3 2.800 . 3.800 2.695 2.672 2.731 . 0 0 "[ . 1 . 2]" 1
142 1 13 ASN HA 1 13 ASN HB2 3.000 . 4.200 2.557 2.474 2.666 . 0 0 "[ . 1 . 2]" 1
143 1 7 PHE H 1 8 GLU HG3 3.700 . 5.600 5.185 4.653 5.652 0.052 18 0 "[ . 1 . 2]" 1
144 1 18 LEU HB2 1 53 GLU HB2 3.700 . 5.600 5.715 5.678 5.747 0.147 16 0 "[ . 1 . 2]" 1
145 1 65 LYS HB3 1 66 MET HG2 3.500 . 5.200 3.727 2.482 5.199 . 0 0 "[ . 1 . 2]" 1
146 1 3 ALA HA 1 67 LEU HG 3.700 . 5.600 5.219 4.513 5.652 0.052 1 0 "[ . 1 . 2]" 1
147 1 3 ALA HA 1 6 VAL MG1 3.300 . 4.800 2.480 2.300 2.747 . 0 0 "[ . 1 . 2]" 1
148 1 6 VAL HB 1 63 ILE MD 3.700 . 5.600 4.626 4.562 4.718 . 0 0 "[ . 1 . 2]" 1
149 1 3 ALA HA 1 63 ILE MD 3.700 . 5.600 3.652 3.498 3.876 . 0 0 "[ . 1 . 2]" 1
150 1 3 ALA MB 1 63 ILE MG 3.600 . 5.400 2.583 2.053 2.971 . 0 0 "[ . 1 . 2]" 1
151 1 40 VAL MG2 1 41 LYS HA 3.400 . 5.000 3.399 3.300 3.555 . 0 0 "[ . 1 . 2]" 1
152 1 36 GLN HA 1 39 ILE H 3.700 . 5.600 3.401 3.271 3.497 . 0 0 "[ . 1 . 2]" 1
153 1 4 LYS HA 1 4 LYS HB3 2.900 . 4.000 3.023 2.996 3.037 . 0 0 "[ . 1 . 2]" 1
154 1 20 LEU HA 1 43 PHE QE 3.600 . 5.400 2.538 2.454 2.612 . 0 0 "[ . 1 . 2]" 1
155 1 20 LEU HA 1 43 PHE QD 3.700 . 5.600 2.399 2.337 2.483 . 0 0 "[ . 1 . 2]" 1
156 1 6 VAL HA 1 10 PHE H 3.700 . 5.600 4.512 4.399 4.617 . 0 0 "[ . 1 . 2]" 1
157 1 6 VAL HA 1 6 VAL MG1 2.900 . 4.000 3.113 3.080 3.166 . 0 0 "[ . 1 . 2]" 1
158 1 6 VAL HA 1 9 LYS HB3 3.500 . 5.100 3.792 2.636 4.654 . 0 0 "[ . 1 . 2]" 1
159 1 66 MET HA 1 66 MET HG3 3.700 . 5.600 3.674 3.208 4.263 . 0 0 "[ . 1 . 2]" 1
160 1 66 MET HG3 1 67 LEU H 3.700 . 5.600 3.834 2.555 5.793 0.193 11 0 "[ . 1 . 2]" 1
161 1 20 LEU MD2 1 39 ILE MG 3.400 . 5.000 1.881 1.842 1.992 . 0 0 "[ . 1 . 2]" 1
162 1 24 ARG HG2 1 39 ILE MG 3.700 . 5.600 4.322 3.628 4.654 . 0 0 "[ . 1 . 2]" 1
163 1 24 ARG HG3 1 39 ILE MG 3.700 . 5.600 3.319 2.380 4.567 . 0 0 "[ . 1 . 2]" 1
164 1 39 ILE HA 1 39 ILE MG 3.500 . 5.200 2.273 2.235 2.334 . 0 0 "[ . 1 . 2]" 1
165 1 39 ILE MG 1 40 VAL H 3.700 . 5.600 3.582 3.530 3.651 . 0 0 "[ . 1 . 2]" 1
166 1 23 PHE QE 1 39 ILE MG 3.700 . 5.600 2.159 2.012 2.317 . 0 0 "[ . 1 . 2]" 1
167 1 23 PHE QD 1 39 ILE MG 3.700 . 5.600 2.010 1.896 2.121 . 0 0 "[ . 1 . 2]" 1
168 1 27 ALA H 1 29 ALA MB 3.700 . 5.600 4.606 4.553 4.674 . 0 0 "[ . 1 . 2]" 1
169 1 43 PHE QE 1 54 LEU MD1 3.700 . 5.600 2.367 2.231 2.443 . 0 0 "[ . 1 . 2]" 1
170 1 43 PHE QD 1 54 LEU MD1 3.700 . 5.600 2.186 2.163 2.217 . 0 0 "[ . 1 . 2]" 1
171 1 53 GLU HA 1 54 LEU MD1 3.700 . 5.600 3.392 3.180 3.508 . 0 0 "[ . 1 . 2]" 1
172 1 10 PHE H 1 26 VAL MG2 3.500 . 5.200 4.450 4.421 4.475 . 0 0 "[ . 1 . 2]" 1
173 1 6 VAL MG1 1 63 ILE MG 3.600 . 5.400 3.379 2.805 3.528 . 0 0 "[ . 1 . 2]" 1
174 1 2 SER HB2 1 6 VAL MG1 3.700 . 5.600 4.697 4.662 4.748 . 0 0 "[ . 1 . 2]" 1
175 1 4 LYS HA 1 7 PHE HA 3.700 . 5.600 5.151 5.005 5.251 . 0 0 "[ . 1 . 2]" 1
176 1 7 PHE HA 1 7 PHE QE 3.700 . 5.600 4.587 4.482 4.758 . 0 0 "[ . 1 . 2]" 1
177 1 7 PHE HA 1 7 PHE QD 3.700 . 5.600 2.384 2.218 3.105 . 0 0 "[ . 1 . 2]" 1
178 1 43 PHE HA 1 43 PHE QD 3.700 . 5.600 3.156 3.106 3.201 . 0 0 "[ . 1 . 2]" 1
179 1 43 PHE HA 1 46 ILE HG13 3.700 . 5.600 5.566 5.426 5.713 0.113 17 0 "[ . 1 . 2]" 1
180 1 20 LEU MD2 1 43 PHE HA 3.600 . 5.400 3.906 3.848 3.984 . 0 0 "[ . 1 . 2]" 1
181 1 4 LYS HA 1 7 PHE HB3 3.600 . 5.400 2.314 2.262 2.465 . 0 0 "[ . 1 . 2]" 1
182 1 7 PHE HB3 1 8 GLU H 3.700 . 5.600 2.604 2.437 2.672 . 0 0 "[ . 1 . 2]" 1
183 1 8 GLU HB2 1 8 GLU HG2 2.900 . 4.000 2.816 2.489 3.036 . 0 0 "[ . 1 . 2]" 1
184 1 8 GLU HB3 1 8 GLU HG2 3.000 . 4.200 2.550 2.360 3.006 . 0 0 "[ . 1 . 2]" 1
185 1 5 ARG HA 1 8 GLU HB2 3.200 . 4.600 3.341 2.653 4.675 0.075 18 0 "[ . 1 . 2]" 1
186 1 4 LYS HB3 1 5 ARG HA 3.600 . 5.400 4.576 4.384 4.759 . 0 0 "[ . 1 . 2]" 1
187 1 9 LYS HA 1 9 LYS HG3 3.100 . 4.400 3.187 2.325 3.693 . 0 0 "[ . 1 . 2]" 1
188 1 9 LYS HA 1 9 LYS HB3 2.900 . 4.000 2.819 2.428 3.028 . 0 0 "[ . 1 . 2]" 1
189 1 9 LYS HB3 1 9 LYS HD3 3.500 . 5.200 3.194 2.452 3.717 . 0 0 "[ . 1 . 2]" 1
190 1 10 PHE HB3 1 12 LYS H 3.300 . 4.800 4.299 3.850 4.456 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU MD1 1 19 SER H 3.700 . 5.600 3.927 3.736 4.015 . 0 0 "[ . 1 . 2]" 1
192 1 10 PHE H 1 18 LEU MD1 3.700 . 5.600 4.371 4.273 4.425 . 0 0 "[ . 1 . 2]" 1
193 1 11 ASP HA 1 18 LEU MD1 3.400 . 5.000 2.181 2.060 2.267 . 0 0 "[ . 1 . 2]" 1
194 1 10 PHE HB2 1 18 LEU MD1 3.500 . 5.200 2.867 2.757 3.180 . 0 0 "[ . 1 . 2]" 1
195 1 20 LEU HA 1 20 LEU MD2 3.100 . 4.400 1.727 1.657 1.831 0.143 15 0 "[ . 1 . 2]" 1
196 1 20 LEU MD2 1 43 PHE HB3 3.400 . 5.000 2.314 2.175 2.411 . 0 0 "[ . 1 . 2]" 1
197 1 20 LEU MD2 1 23 PHE QE 3.700 . 5.600 3.733 3.536 4.085 . 0 0 "[ . 1 . 2]" 1
198 1 20 LEU MD2 1 43 PHE QE 3.700 . 5.600 3.362 3.317 3.433 . 0 0 "[ . 1 . 2]" 1
199 1 20 LEU MD2 1 23 PHE QD 3.700 . 5.600 2.260 2.118 2.620 . 0 0 "[ . 1 . 2]" 1
200 1 20 LEU MD2 1 43 PHE QD 3.700 . 5.600 2.025 1.957 2.106 . 0 0 "[ . 1 . 2]" 1
201 1 11 ASP H 1 18 LEU MD2 3.700 . 5.600 4.421 4.255 4.517 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU MD2 1 59 PHE QE 3.700 . 5.600 2.354 1.869 4.136 . 0 0 "[ . 1 . 2]" 1
203 1 7 PHE QE 1 18 LEU MD2 3.700 . 5.600 3.835 3.271 3.969 . 0 0 "[ . 1 . 2]" 1
204 1 18 LEU HA 1 18 LEU MD2 3.700 . 5.600 3.572 3.540 3.593 . 0 0 "[ . 1 . 2]" 1
205 1 7 PHE QD 1 18 LEU MD2 3.700 . 5.600 2.963 2.306 3.456 . 0 0 "[ . 1 . 2]" 1
206 1 11 ASP HA 1 18 LEU MD2 3.700 . 5.600 4.272 4.058 4.446 . 0 0 "[ . 1 . 2]" 1
207 1 7 PHE HA 1 18 LEU MD2 3.700 . 5.600 3.103 2.800 3.409 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU MD2 1 22 GLU HB3 3.700 . 5.600 2.121 1.957 2.313 . 0 0 "[ . 1 . 2]" 1
209 1 18 LEU MD2 1 22 GLU HB2 3.700 . 5.600 2.794 2.464 3.638 . 0 0 "[ . 1 . 2]" 1
210 1 18 LEU HB2 1 18 LEU MD2 3.400 . 5.000 2.348 2.216 2.413 . 0 0 "[ . 1 . 2]" 1
211 1 10 PHE HB3 1 18 LEU MD2 3.700 . 5.600 2.347 2.144 2.725 . 0 0 "[ . 1 . 2]" 1
212 1 17 LYS HA 1 56 ALA HA 3.700 . 5.600 5.042 4.753 5.149 . 0 0 "[ . 1 . 2]" 1
213 1 17 LYS HA 1 59 PHE QE 3.600 . 5.400 1.816 1.671 2.282 0.129 9 0 "[ . 1 . 2]" 1
214 1 17 LYS H 1 17 LYS HB3 3.200 . 4.600 3.930 3.889 3.958 . 0 0 "[ . 1 . 2]" 1
215 1 17 LYS HB3 1 17 LYS HE3 3.500 . 5.200 3.146 3.051 3.204 . 0 0 "[ . 1 . 2]" 1
216 1 17 LYS HB3 1 53 GLU HB3 3.400 . 5.000 2.879 2.803 2.963 . 0 0 "[ . 1 . 2]" 1
217 1 14 LYS HB3 1 14 LYS HG3 2.800 . 3.800 2.918 2.685 3.030 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU HA 1 18 LEU MD1 3.000 . 4.200 2.215 2.142 2.320 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU HA 1 22 GLU HB3 3.400 . 5.000 4.000 3.235 4.205 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU HA 1 22 GLU HB2 3.500 . 5.200 3.207 3.079 3.855 . 0 0 "[ . 1 . 2]" 1
221 1 64 GLU HA 1 67 LEU HB3 3.700 . 5.600 3.818 2.551 4.756 . 0 0 "[ . 1 . 2]" 1
222 1 64 GLU HA 1 67 LEU HB2 3.700 . 5.600 4.926 2.574 5.707 0.107 4 0 "[ . 1 . 2]" 1
223 1 66 MET HA 1 67 LEU HB3 3.700 . 5.600 5.197 4.772 5.666 0.066 17 0 "[ . 1 . 2]" 1
224 1 66 MET HA 1 67 LEU HB2 3.700 . 5.600 5.019 4.850 5.664 0.064 17 0 "[ . 1 . 2]" 1
225 1 66 MET HA 1 66 MET HG2 3.700 . 5.600 3.222 2.055 4.170 . 0 0 "[ . 1 . 2]" 1
226 1 66 MET H 1 66 MET HG3 3.700 . 5.600 3.615 2.199 4.910 . 0 0 "[ . 1 . 2]" 1
227 1 36 GLN HG3 1 37 GLU H 3.700 . 5.600 4.284 4.120 5.187 . 0 0 "[ . 1 . 2]" 1
228 1 36 GLN HE21 1 36 GLN HG2 3.500 . 5.200 3.156 2.347 3.600 . 0 0 "[ . 1 . 2]" 1
229 1 36 GLN HE22 1 36 GLN HG2 3.700 . 5.600 3.892 3.545 4.100 . 0 0 "[ . 1 . 2]" 1
230 1 36 GLN HA 1 36 GLN HG3 3.400 . 5.000 3.048 2.957 3.348 . 0 0 "[ . 1 . 2]" 1
231 1 36 GLN HB3 1 36 GLN HG3 3.000 . 4.200 2.422 2.384 2.733 . 0 0 "[ . 1 . 2]" 1
232 1 36 GLN HB2 1 36 GLN HG3 2.900 . 4.000 3.000 2.294 3.042 . 0 0 "[ . 1 . 2]" 1
233 1 36 GLN HG3 1 40 VAL MG2 3.700 . 5.600 3.030 2.882 4.573 . 0 0 "[ . 1 . 2]" 1
234 1 36 GLN HG3 1 39 ILE MD 3.700 . 5.600 4.485 4.353 4.551 . 0 0 "[ . 1 . 2]" 1
235 1 36 GLN HG2 1 40 VAL MG2 3.700 . 5.600 4.454 3.617 4.534 . 0 0 "[ . 1 . 2]" 1
236 1 36 GLN HG2 1 39 ILE MD 3.700 . 5.600 4.665 3.546 4.824 . 0 0 "[ . 1 . 2]" 1
237 1 36 GLN HG3 1 37 GLU HA 3.700 . 5.600 4.234 3.982 5.777 0.177 16 0 "[ . 1 . 2]" 1
238 1 34 PHE H 1 34 PHE HB2 3.600 . 5.400 2.227 2.195 2.303 . 0 0 "[ . 1 . 2]" 1
239 1 34 PHE H 1 34 PHE HB3 3.400 . 5.000 3.459 3.357 3.572 . 0 0 "[ . 1 . 2]" 1
240 1 28 LEU MD1 1 34 PHE HB2 3.400 . 5.000 3.622 2.944 4.101 . 0 0 "[ . 1 . 2]" 1
241 1 34 PHE HB2 1 39 ILE MD 3.600 . 5.400 3.052 2.676 3.523 . 0 0 "[ . 1 . 2]" 1
242 1 28 LEU MD1 1 34 PHE HB3 3.400 . 5.000 3.735 3.320 4.057 . 0 0 "[ . 1 . 2]" 1
243 1 46 ILE MG 1 54 LEU MD1 3.600 . 5.400 1.825 1.794 1.860 0.006 12 0 "[ . 1 . 2]" 1
244 1 45 GLU HB3 1 46 ILE MG 3.700 . 5.600 4.831 4.776 4.863 . 0 0 "[ . 1 . 2]" 1
245 1 3 ALA MB 1 63 ILE MD 3.700 . 5.600 3.316 2.909 3.618 . 0 0 "[ . 1 . 2]" 1
246 1 39 ILE HA 1 39 ILE MD 3.700 . 5.600 3.939 3.903 3.963 . 0 0 "[ . 1 . 2]" 1
247 1 39 ILE MD 1 39 ILE MG 3.100 . 4.400 2.347 2.241 2.427 . 0 0 "[ . 1 . 2]" 1
248 1 39 ILE HG13 1 39 ILE MG 3.500 . 5.200 3.118 3.094 3.156 . 0 0 "[ . 1 . 2]" 1
249 1 34 PHE HB2 1 39 ILE MG 3.700 . 5.600 4.648 4.564 4.718 . 0 0 "[ . 1 . 2]" 1
250 1 23 PHE HB3 1 39 ILE MG 3.700 . 5.600 3.608 3.500 3.688 . 0 0 "[ . 1 . 2]" 1
251 1 41 LYS HA 1 42 PHE H 3.200 . 4.600 3.555 3.539 3.577 . 0 0 "[ . 1 . 2]" 1
252 1 51 ASN HB3 1 52 GLY H 3.700 . 5.600 3.753 3.445 4.374 . 0 0 "[ . 1 . 2]" 1
253 1 51 ASN HB2 1 52 GLY H 3.700 . 5.600 4.292 4.161 4.359 . 0 0 "[ . 1 . 2]" 1
254 1 11 ASP HB3 1 18 LEU MD1 3.500 . 5.200 3.863 3.499 4.441 . 0 0 "[ . 1 . 2]" 1
255 1 11 ASP HB2 1 18 LEU MD1 3.400 . 5.000 3.798 3.415 4.072 . 0 0 "[ . 1 . 2]" 1
256 1 8 GLU HA 1 11 ASP HB3 3.600 . 5.400 2.658 2.232 3.188 . 0 0 "[ . 1 . 2]" 1
257 1 8 GLU HA 1 11 ASP HB2 3.700 . 5.600 3.399 2.300 4.144 . 0 0 "[ . 1 . 2]" 1
258 1 39 ILE HB 1 40 VAL H 3.400 . 5.000 2.378 2.279 2.451 . 0 0 "[ . 1 . 2]" 1
259 1 39 ILE HB 1 39 ILE MD 3.100 . 4.400 2.130 2.086 2.175 . 0 0 "[ . 1 . 2]" 1
260 1 4 LYS HA 1 4 LYS HD3 3.400 . 5.000 4.386 2.269 5.030 0.030 20 0 "[ . 1 . 2]" 1
261 1 23 PHE QE 1 26 VAL MG1 3.700 . 5.600 2.895 2.664 3.433 . 0 0 "[ . 1 . 2]" 1
262 1 23 PHE QD 1 26 VAL MG1 3.700 . 5.600 2.300 1.970 3.053 . 0 0 "[ . 1 . 2]" 1
263 1 26 VAL HA 1 26 VAL MG2 3.300 . 4.800 2.169 2.101 2.244 . 0 0 "[ . 1 . 2]" 1
264 1 10 PHE HB2 1 26 VAL MG2 3.200 . 4.700 3.106 2.977 3.170 . 0 0 "[ . 1 . 2]" 1
265 1 10 PHE HA 1 26 VAL MG2 3.700 . 5.600 4.033 3.839 4.481 . 0 0 "[ . 1 . 2]" 1
266 1 23 PHE HB3 1 26 VAL MG2 3.700 . 5.600 4.916 4.781 4.989 . 0 0 "[ . 1 . 2]" 1
267 1 10 PHE HB3 1 18 LEU MD1 3.500 . 5.200 3.566 3.376 3.652 . 0 0 "[ . 1 . 2]" 1
268 1 5 ARG HB3 1 6 VAL MG1 3.700 . 5.600 4.751 4.674 4.785 . 0 0 "[ . 1 . 2]" 1
269 1 17 LYS HD3 1 17 LYS HG3 3.000 . 4.200 2.602 2.563 2.622 . 0 0 "[ . 1 . 2]" 1
270 1 17 LYS HG3 1 55 ASN HA 3.700 . 5.600 2.294 2.209 2.325 . 0 0 "[ . 1 . 2]" 1
271 1 17 LYS HB3 1 53 GLU HG3 3.700 . 5.600 4.381 3.757 4.481 . 0 0 "[ . 1 . 2]" 1
272 1 17 LYS HB3 1 53 GLU HG2 3.700 . 5.600 4.849 4.504 4.945 . 0 0 "[ . 1 . 2]" 1
273 1 17 LYS HE3 1 53 GLU HG3 3.700 . 5.600 4.700 3.645 4.880 . 0 0 "[ . 1 . 2]" 1
274 1 53 GLU HA 1 53 GLU HG3 3.700 . 5.600 3.525 3.454 4.034 . 0 0 "[ . 1 . 2]" 1
275 1 53 GLU HA 1 53 GLU HG2 3.700 . 5.600 2.935 2.877 3.359 . 0 0 "[ . 1 . 2]" 1
276 1 63 ILE HA 1 63 ILE MD 3.600 . 5.400 2.024 1.848 2.198 . 0 0 "[ . 1 . 2]" 1
277 1 46 ILE HA 1 46 ILE MG 3.200 . 4.600 3.091 3.053 3.102 . 0 0 "[ . 1 . 2]" 1
278 1 46 ILE HA 1 46 ILE HG13 3.300 . 4.800 2.383 2.319 2.452 . 0 0 "[ . 1 . 2]" 1
279 1 62 CYS HA 1 63 ILE HA 3.700 . 5.600 4.659 4.611 4.736 . 0 0 "[ . 1 . 2]" 1
280 1 46 ILE HA 1 46 ILE MD 3.700 . 5.600 2.207 2.156 2.264 . 0 0 "[ . 1 . 2]" 1
281 1 63 ILE H 1 63 ILE HB 3.700 . 5.600 2.466 2.168 2.657 . 0 0 "[ . 1 . 2]" 1
282 1 63 ILE HB 1 64 GLU H 3.700 . 5.600 2.902 2.736 3.190 . 0 0 "[ . 1 . 2]" 1
283 1 63 ILE HA 1 63 ILE HG13 3.700 . 5.600 3.254 2.409 3.688 . 0 0 "[ . 1 . 2]" 1
284 1 63 ILE MD 1 63 ILE MG 3.600 . 5.400 2.404 1.846 3.232 . 0 0 "[ . 1 . 2]" 1
285 1 9 LYS H 1 10 PHE HA 3.700 . 5.600 5.418 5.330 5.499 . 0 0 "[ . 1 . 2]" 1
286 1 24 ARG HG2 1 39 ILE MD 3.700 . 5.600 3.793 2.997 4.498 . 0 0 "[ . 1 . 2]" 1
287 1 54 LEU HA 1 54 LEU HG 3.500 . 5.200 3.461 3.436 3.495 . 0 0 "[ . 1 . 2]" 1
288 1 24 ARG HG2 1 28 LEU MD1 3.700 . 5.600 2.849 2.014 4.122 . 0 0 "[ . 1 . 2]" 1
289 1 24 ARG HG2 1 28 LEU MD2 3.400 . 5.000 2.109 1.873 3.043 . 0 0 "[ . 1 . 2]" 1
290 1 10 PHE HB3 1 26 VAL MG2 3.200 . 4.600 2.565 2.349 3.174 . 0 0 "[ . 1 . 2]" 1
291 1 65 LYS H 1 66 MET HA 3.700 . 5.600 5.316 5.107 5.379 . 0 0 "[ . 1 . 2]" 1
292 1 4 LYS HA 1 7 PHE HB2 3.600 . 5.400 3.404 2.945 3.637 . 0 0 "[ . 1 . 2]" 1
293 1 34 PHE HB2 1 39 ILE HG12 3.700 . 5.600 3.379 3.291 3.438 . 0 0 "[ . 1 . 2]" 1
294 1 35 THR HA 1 36 GLN HB2 3.700 . 5.600 4.329 4.150 4.392 . 0 0 "[ . 1 . 2]" 1
295 1 35 THR HA 1 36 GLN HB3 3.700 . 5.600 4.841 4.757 4.893 . 0 0 "[ . 1 . 2]" 1
296 1 35 THR HB 1 36 GLN HB3 3.700 . 5.600 4.822 4.677 5.894 0.294 19 0 "[ . 1 . 2]" 1
297 1 36 GLN HB3 1 37 GLU H 3.700 . 5.600 2.785 2.638 2.879 . 0 0 "[ . 1 . 2]" 1
298 1 35 THR MG 1 36 GLN HB2 3.700 . 5.600 4.602 4.562 4.684 . 0 0 "[ . 1 . 2]" 1
299 1 47 ASP HA 1 54 LEU MD1 3.200 . 4.700 2.900 2.489 3.103 . 0 0 "[ . 1 . 2]" 1
300 1 48 VAL MG1 1 58 GLU HB3 3.400 . 5.000 4.030 3.924 4.084 . 0 0 "[ . 1 . 2]" 1
301 1 47 ASP HA 1 48 VAL MG1 3.700 . 5.600 3.578 3.516 3.633 . 0 0 "[ . 1 . 2]" 1
302 1 48 VAL MG1 1 49 ASP HA 3.700 . 5.600 3.247 3.134 3.323 . 0 0 "[ . 1 . 2]" 1
303 1 18 LEU HB2 1 54 LEU HB2 3.600 . 5.400 2.041 2.006 2.129 . 0 0 "[ . 1 . 2]" 1
304 1 3 ALA MB 1 4 LYS HB3 3.700 . 5.600 4.429 4.310 4.566 . 0 0 "[ . 1 . 2]" 1
305 1 24 ARG HA 1 39 ILE MG 3.300 . 4.800 2.563 2.319 2.984 . 0 0 "[ . 1 . 2]" 1
306 1 46 ILE MG 1 59 PHE HA 3.500 . 5.200 4.275 4.019 4.353 . 0 0 "[ . 1 . 2]" 1
307 1 20 LEU HB2 1 20 LEU MD2 3.200 . 4.600 2.629 2.429 2.711 . 0 0 "[ . 1 . 2]" 1
308 1 20 LEU HB3 1 20 LEU MD1 3.100 . 4.400 2.154 2.106 2.179 . 0 0 "[ . 1 . 2]" 1
309 1 20 LEU MD1 1 39 ILE MG 3.100 . 4.400 2.666 2.591 2.847 . 0 0 "[ . 1 . 2]" 1
310 1 20 LEU MD1 1 20 LEU MD2 2.800 . 3.800 2.014 1.847 2.066 . 0 0 "[ . 1 . 2]" 1
311 1 20 LEU HA 1 20 LEU MD1 3.500 . 5.200 3.227 3.067 3.281 . 0 0 "[ . 1 . 2]" 1
312 1 20 LEU MD1 1 43 PHE HB3 3.700 . 5.600 4.155 3.948 4.432 . 0 0 "[ . 1 . 2]" 1
313 1 20 LEU MD1 1 40 VAL HB 3.700 . 5.600 4.182 3.935 4.540 . 0 0 "[ . 1 . 2]" 1
314 1 40 VAL MG2 1 44 GLU HG3 3.600 . 5.400 3.614 3.386 3.996 . 0 0 "[ . 1 . 2]" 1
315 1 40 VAL MG2 1 44 GLU HG2 3.700 . 5.600 4.286 4.068 4.676 . 0 0 "[ . 1 . 2]" 1
316 1 36 GLN HG2 1 40 VAL MG1 3.600 . 5.400 3.508 2.253 3.710 . 0 0 "[ . 1 . 2]" 1
317 1 36 GLN HG3 1 40 VAL MG1 3.400 . 5.000 2.338 2.210 3.489 . 0 0 "[ . 1 . 2]" 1
318 1 39 ILE HB 1 40 VAL MG1 3.500 . 5.200 2.627 2.496 3.012 . 0 0 "[ . 1 . 2]" 1
319 1 44 GLU HA 1 47 ASP HB3 3.300 . 4.800 3.235 2.764 4.434 . 0 0 "[ . 1 . 2]" 1
320 1 25 GLU HA 1 28 LEU HB2 3.600 . 5.400 2.590 2.319 2.771 . 0 0 "[ . 1 . 2]" 1
321 1 25 GLU HA 1 28 LEU HB3 3.100 . 4.400 4.062 3.791 4.239 . 0 0 "[ . 1 . 2]" 1
322 1 48 VAL H 1 48 VAL MG2 3.300 . 4.800 3.675 3.643 3.693 . 0 0 "[ . 1 . 2]" 1
323 1 48 VAL HA 1 48 VAL MG2 3.100 . 4.400 2.324 2.302 2.346 . 0 0 "[ . 1 . 2]" 1
324 1 45 GLU HA 1 45 GLU HG3 3.200 . 4.600 3.367 2.488 3.568 . 0 0 "[ . 1 . 2]" 1
325 1 54 LEU HA 1 58 GLU HB2 3.700 . 5.600 3.707 3.518 3.914 . 0 0 "[ . 1 . 2]" 1
326 1 54 LEU HA 1 58 GLU HB3 3.700 . 5.600 3.946 3.687 4.310 . 0 0 "[ . 1 . 2]" 1
327 1 46 ILE MD 1 46 ILE MG 3.600 . 5.400 3.206 3.180 3.223 . 0 0 "[ . 1 . 2]" 1
328 1 59 PHE HA 1 62 CYS H 3.600 . 5.400 3.406 3.226 3.963 . 0 0 "[ . 1 . 2]" 1
329 1 59 PHE HA 1 59 PHE QE 3.700 . 5.600 4.214 4.111 4.530 . 0 0 "[ . 1 . 2]" 1
330 1 46 ILE MG 1 62 CYS HA 3.700 . 5.600 3.276 2.947 4.301 . 0 0 "[ . 1 . 2]" 1
331 1 46 ILE MG 1 62 CYS HB3 3.700 . 5.600 3.990 3.598 4.285 . 0 0 "[ . 1 . 2]" 1
332 1 46 ILE MG 1 62 CYS HB2 3.700 . 5.600 2.682 2.239 3.397 . 0 0 "[ . 1 . 2]" 1
333 1 46 ILE HG13 1 62 CYS HB2 3.700 . 5.600 4.042 3.724 4.582 . 0 0 "[ . 1 . 2]" 1
334 1 46 ILE MD 1 62 CYS HB2 3.700 . 5.600 4.272 3.592 4.623 . 0 0 "[ . 1 . 2]" 1
335 1 46 ILE MG 1 61 SER HB3 3.700 . 5.600 4.620 4.418 4.710 . 0 0 "[ . 1 . 2]" 1
336 1 43 PHE HA 1 46 ILE HB 3.700 . 5.600 3.119 3.012 3.243 . 0 0 "[ . 1 . 2]" 1
337 1 46 ILE HB 1 46 ILE MD 3.300 . 4.800 2.209 2.157 2.246 . 0 0 "[ . 1 . 2]" 1
338 1 46 ILE HB 1 54 LEU MD1 3.300 . 4.800 4.013 3.994 4.042 . 0 0 "[ . 1 . 2]" 1
339 1 47 ASP HB3 1 54 LEU MD1 3.300 . 4.800 3.640 2.467 4.033 . 0 0 "[ . 1 . 2]" 1
340 1 47 ASP HB2 1 54 LEU MD1 3.200 . 4.600 2.657 2.063 3.946 . 0 0 "[ . 1 . 2]" 1
341 1 48 VAL HA 1 48 VAL HB 3.000 . 4.200 2.442 2.432 2.454 . 0 0 "[ . 1 . 2]" 1
342 1 49 ASP HA 1 49 ASP HB2 2.900 . 4.000 2.240 2.231 2.257 . 0 0 "[ . 1 . 2]" 1
343 1 48 VAL MG2 1 49 ASP HB3 3.700 . 5.600 4.616 4.569 4.687 . 0 0 "[ . 1 . 2]" 1
344 1 48 VAL MG1 1 49 ASP HB3 3.700 . 5.600 3.037 2.992 3.092 . 0 0 "[ . 1 . 2]" 1
345 1 48 VAL MG2 1 49 ASP HB2 3.700 . 5.600 4.522 4.444 4.572 . 0 0 "[ . 1 . 2]" 1
346 1 48 VAL MG1 1 49 ASP HB2 3.700 . 5.600 3.502 3.363 3.613 . 0 0 "[ . 1 . 2]" 1
347 1 50 GLY HA2 1 52 GLY H 3.700 . 5.600 2.891 2.812 2.953 . 0 0 "[ . 1 . 2]" 1
348 1 40 VAL HA 1 40 VAL MG1 3.000 . 4.200 2.320 2.163 2.383 . 0 0 "[ . 1 . 2]" 1
349 1 40 VAL MG1 1 40 VAL MG2 2.600 . 3.400 2.021 1.961 2.054 . 0 0 "[ . 1 . 2]" 1
350 1 20 LEU MD1 1 40 VAL MG1 3.000 . 4.200 2.090 1.883 2.366 . 0 0 "[ . 1 . 2]" 1
351 1 20 LEU MD2 1 40 VAL MG1 3.200 . 4.600 2.963 2.574 3.041 . 0 0 "[ . 1 . 2]" 1
352 1 12 LYS HA 1 12 LYS HG2 3.500 . 5.300 3.663 3.558 3.683 . 0 0 "[ . 1 . 2]" 1
353 1 12 LYS HE3 1 12 LYS HG2 3.700 . 5.600 2.428 2.255 3.513 . 0 0 "[ . 1 . 2]" 1
354 1 12 LYS HE3 1 12 LYS HG3 3.700 . 5.600 3.211 2.722 3.994 . 0 0 "[ . 1 . 2]" 1
355 1 52 GLY HA3 1 53 GLU HG2 3.700 . 5.600 3.595 3.499 3.661 . 0 0 "[ . 1 . 2]" 1
356 1 16 GLY HA2 1 17 LYS HG3 3.700 . 5.600 4.651 4.594 4.790 . 0 0 "[ . 1 . 2]" 1
357 1 43 PHE QE 1 52 GLY HA2 3.500 . 5.200 2.950 2.834 3.145 . 0 0 "[ . 1 . 2]" 1
358 1 52 GLY HA2 1 53 GLU HA 3.700 . 5.600 4.451 4.437 4.461 . 0 0 "[ . 1 . 2]" 1
359 1 52 GLY HA3 1 53 GLU HA 3.700 . 5.600 4.638 4.629 4.645 . 0 0 "[ . 1 . 2]" 1
360 1 13 ASN HA 1 14 LYS HG3 3.700 . 5.600 4.131 3.596 4.777 . 0 0 "[ . 1 . 2]" 1
361 1 28 LEU HA 1 28 LEU MD2 3.700 . 5.600 3.781 3.763 3.796 . 0 0 "[ . 1 . 2]" 1
362 1 28 LEU HB3 1 28 LEU MD2 3.000 . 4.200 2.642 2.580 2.689 . 0 0 "[ . 1 . 2]" 1
363 1 24 ARG HG3 1 28 LEU MD2 3.300 . 4.800 2.650 1.923 3.836 . 0 0 "[ . 1 . 2]" 1
364 1 28 LEU HB2 1 28 LEU MD2 3.100 . 4.400 2.106 2.045 2.209 . 0 0 "[ . 1 . 2]" 1
365 1 20 LEU MD1 1 21 ASP H 3.700 . 5.600 3.555 3.281 3.706 . 0 0 "[ . 1 . 2]" 1
366 1 20 LEU H 1 20 LEU MD1 3.700 . 5.600 4.195 4.066 4.257 . 0 0 "[ . 1 . 2]" 1
367 1 3 ALA MB 1 60 THR HB 3.700 . 5.600 3.248 2.744 3.470 . 0 0 "[ . 1 . 2]" 1
368 1 60 THR H 1 60 THR HB 3.700 . 5.600 3.599 3.563 3.618 . 0 0 "[ . 1 . 2]" 1
369 1 60 THR HB 1 61 SER H 3.700 . 5.600 3.654 3.405 3.884 . 0 0 "[ . 1 . 2]" 1
370 1 24 ARG HG3 1 28 LEU MD1 3.600 . 5.400 2.691 2.102 3.488 . 0 0 "[ . 1 . 2]" 1
371 1 28 LEU HB3 1 28 LEU MD1 3.400 . 5.000 3.185 3.174 3.194 . 0 0 "[ . 1 . 2]" 1
372 1 28 LEU HB2 1 28 LEU MD1 3.200 . 4.700 2.638 2.601 2.683 . 0 0 "[ . 1 . 2]" 1
373 1 28 LEU MD1 1 28 LEU MD2 2.700 . 3.600 2.012 1.978 2.068 . 0 0 "[ . 1 . 2]" 1
374 1 24 ARG HD3 1 28 LEU MD1 3.600 . 5.400 4.248 3.423 4.448 . 0 0 "[ . 1 . 2]" 1
375 1 28 LEU MD1 1 32 PRO HA 3.100 . 4.400 3.390 3.257 3.457 . 0 0 "[ . 1 . 2]" 1
376 1 28 LEU HA 1 28 LEU MD1 3.100 . 4.400 2.050 1.994 2.095 . 0 0 "[ . 1 . 2]" 1
377 1 6 VAL MG1 1 26 VAL MG2 3.700 . 5.600 3.614 3.260 3.715 . 0 0 "[ . 1 . 2]" 1
378 1 6 VAL MG1 1 26 VAL MG1 3.700 . 5.600 3.738 3.636 3.799 . 0 0 "[ . 1 . 2]" 1
379 1 11 ASP HA 1 12 LYS HB3 3.700 . 5.600 4.252 4.165 4.352 . 0 0 "[ . 1 . 2]" 1
380 1 20 LEU MD1 1 43 PHE QE 3.700 . 5.600 4.731 4.703 4.745 . 0 0 "[ . 1 . 2]" 1
381 1 24 ARG HD3 1 25 GLU H 3.700 . 5.600 5.626 5.403 5.693 0.093 1 0 "[ . 1 . 2]" 1
382 1 24 ARG H 1 24 ARG HD3 3.700 . 5.600 4.976 4.720 5.330 . 0 0 "[ . 1 . 2]" 1
383 1 21 ASP HA 1 24 ARG HD3 3.500 . 5.300 4.207 3.526 5.319 0.019 14 0 "[ . 1 . 2]" 1
384 1 24 ARG HD3 1 28 LEU MD2 3.300 . 4.800 3.616 3.233 3.822 . 0 0 "[ . 1 . 2]" 1
385 1 5 ARG H 1 5 ARG HD3 3.700 . 5.600 4.833 4.062 5.582 . 0 0 "[ . 1 . 2]" 1
386 1 5 ARG HA 1 5 ARG HD3 3.300 . 4.800 3.822 2.309 4.714 . 0 0 "[ . 1 . 2]" 1
387 1 24 ARG HA 1 24 ARG HD3 3.500 . 5.200 4.168 2.913 4.537 . 0 0 "[ . 1 . 2]" 1
388 1 52 GLY H 1 52 GLY HA3 2.900 . 4.000 2.905 2.901 2.920 . 0 0 "[ . 1 . 2]" 1
389 1 22 GLU H 1 22 GLU HG3 3.400 . 5.000 3.672 2.316 4.476 . 0 0 "[ . 1 . 2]" 1
390 1 22 GLU HA 1 22 GLU HG2 3.500 . 5.200 3.243 2.328 3.644 . 0 0 "[ . 1 . 2]" 1
391 1 48 VAL HA 1 48 VAL MG1 3.000 . 4.200 3.189 3.187 3.191 . 0 0 "[ . 1 . 2]" 1
392 1 27 ALA HA 1 39 ILE MD 3.700 . 5.600 4.563 4.490 4.663 . 0 0 "[ . 1 . 2]" 1
393 1 26 VAL MG1 1 27 ALA HA 3.700 . 5.600 2.883 2.799 2.979 . 0 0 "[ . 1 . 2]" 1
394 1 24 ARG HG3 1 39 ILE MD 3.700 . 5.600 2.870 2.300 4.179 . 0 0 "[ . 1 . 2]" 1
395 1 17 LYS HB3 1 55 ASN HA 3.700 . 5.600 3.389 3.329 3.454 . 0 0 "[ . 1 . 2]" 1
396 1 54 LEU HA 1 54 LEU MD2 3.700 . 5.600 3.397 3.354 3.505 . 0 0 "[ . 1 . 2]" 1
397 1 54 LEU HA 1 54 LEU MD1 3.000 . 4.200 1.873 1.813 1.919 . 0 0 "[ . 1 . 2]" 1
398 1 46 ILE MG 1 54 LEU HA 3.700 . 5.600 3.202 3.110 3.322 . 0 0 "[ . 1 . 2]" 1
399 1 20 LEU MD2 1 23 PHE HB3 3.500 . 5.200 2.510 2.346 2.747 . 0 0 "[ . 1 . 2]" 1
400 1 34 PHE HB3 1 39 ILE MD 3.500 . 5.200 2.212 2.051 2.540 . 0 0 "[ . 1 . 2]" 1
401 1 34 PHE HB3 1 39 ILE HG12 3.700 . 5.600 2.083 1.946 2.180 . 0 0 "[ . 1 . 2]" 1
402 1 18 LEU MD2 1 23 PHE HB2 3.700 . 5.600 2.792 2.642 2.926 . 0 0 "[ . 1 . 2]" 1
403 1 20 LEU MD2 1 23 PHE HB2 3.600 . 5.400 3.866 3.694 4.105 . 0 0 "[ . 1 . 2]" 1
404 1 23 PHE HB2 1 26 VAL MG1 3.700 . 5.600 4.013 3.909 4.110 . 0 0 "[ . 1 . 2]" 1
405 1 18 LEU HB2 1 23 PHE HB3 3.700 . 5.600 5.676 5.554 5.766 0.166 7 0 "[ . 1 . 2]" 1
406 1 18 LEU HB2 1 23 PHE HB2 3.700 . 5.600 4.261 4.142 4.430 . 0 0 "[ . 1 . 2]" 1
407 1 23 PHE HB3 1 43 PHE QE 3.500 . 5.200 3.703 3.614 3.803 . 0 0 "[ . 1 . 2]" 1
408 1 23 PHE HB3 1 43 PHE QD 3.700 . 5.600 2.750 2.580 2.964 . 0 0 "[ . 1 . 2]" 1
409 1 35 THR HA 1 35 THR MG 3.100 . 4.400 2.119 2.058 3.184 . 0 0 "[ . 1 . 2]" 1
410 1 34 PHE HA 1 35 THR MG 3.600 . 5.400 4.683 4.050 4.742 . 0 0 "[ . 1 . 2]" 1
411 1 35 THR MG 1 37 GLU H 3.700 . 5.600 3.353 1.815 3.503 . 0 0 "[ . 1 . 2]" 1
412 1 58 GLU H 1 58 GLU HG2 3.700 . 5.600 2.544 2.408 2.685 . 0 0 "[ . 1 . 2]" 1
413 1 48 VAL H 1 58 GLU HG2 3.700 . 5.600 4.031 3.919 4.219 . 0 0 "[ . 1 . 2]" 1
414 1 36 GLN HA 1 39 ILE HG13 3.700 . 5.600 3.452 3.103 3.646 . 0 0 "[ . 1 . 2]" 1
415 1 20 LEU HG 1 24 ARG HD3 3.700 . 5.600 5.378 4.822 5.919 0.319 20 0 "[ . 1 . 2]" 1
416 1 46 ILE H 1 46 ILE HG12 3.700 . 5.600 4.703 4.681 4.726 . 0 0 "[ . 1 . 2]" 1
417 1 54 LEU HG 1 62 CYS HB3 3.700 . 5.600 3.961 3.563 4.537 . 0 0 "[ . 1 . 2]" 1
418 1 54 LEU HG 1 62 CYS HB2 3.700 . 5.600 3.365 3.022 4.323 . 0 0 "[ . 1 . 2]" 1
419 1 19 SER HB3 1 20 LEU HB3 3.700 . 5.600 4.611 4.479 4.717 . 0 0 "[ . 1 . 2]" 1
420 1 19 SER HB3 1 20 LEU HB2 3.700 . 5.600 5.023 4.822 5.243 . 0 0 "[ . 1 . 2]" 1
421 1 19 SER HA 1 20 LEU HB2 3.700 . 5.600 4.577 4.508 4.699 . 0 0 "[ . 1 . 2]" 1
422 1 31 SER HA 1 32 PRO HG3 3.700 . 5.600 4.724 4.534 4.797 . 0 0 "[ . 1 . 2]" 1
423 1 23 PHE HB2 1 39 ILE MG 3.700 . 5.600 4.761 4.646 4.841 . 0 0 "[ . 1 . 2]" 1
424 1 48 VAL HB 1 58 GLU HB2 3.700 . 5.600 5.713 5.684 5.802 0.202 12 0 "[ . 1 . 2]" 1
425 1 47 ASP HA 1 48 VAL HB 3.700 . 5.600 4.895 4.856 4.963 . 0 0 "[ . 1 . 2]" 1
426 1 58 GLU H 1 58 GLU HB2 3.700 . 5.600 2.372 2.350 2.447 . 0 0 "[ . 1 . 2]" 1
427 1 46 ILE MG 1 58 GLU HB3 3.700 . 5.600 2.260 2.204 2.352 . 0 0 "[ . 1 . 2]" 1
428 1 46 ILE MG 1 58 GLU HB2 3.700 . 5.600 3.541 3.420 3.628 . 0 0 "[ . 1 . 2]" 1
429 1 54 LEU MD1 1 58 GLU HB2 3.700 . 5.600 4.194 4.112 4.389 . 0 0 "[ . 1 . 2]" 1
430 1 54 LEU MD1 1 58 GLU HB3 3.700 . 5.600 3.650 3.527 3.840 . 0 0 "[ . 1 . 2]" 1
431 1 19 SER HB2 1 53 GLU HA 3.700 . 5.600 4.829 4.712 4.937 . 0 0 "[ . 1 . 2]" 1
432 1 19 SER HB2 1 20 LEU HB3 3.700 . 5.600 5.039 4.900 5.118 . 0 0 "[ . 1 . 2]" 1
433 1 19 SER HB2 1 22 GLU H 3.700 . 5.600 2.353 2.275 2.480 . 0 0 "[ . 1 . 2]" 1
434 1 40 VAL HA 1 43 PHE HA 3.700 . 5.600 5.029 4.916 5.092 . 0 0 "[ . 1 . 2]" 1
435 1 40 VAL HA 1 43 PHE HB3 3.600 . 5.400 2.146 2.012 2.250 . 0 0 "[ . 1 . 2]" 1
436 1 20 LEU MD2 1 40 VAL HA 3.400 . 5.000 2.767 2.474 2.871 . 0 0 "[ . 1 . 2]" 1
437 1 20 LEU MD1 1 40 VAL HA 3.700 . 5.600 3.582 3.356 3.910 . 0 0 "[ . 1 . 2]" 1
438 1 40 VAL HA 1 40 VAL MG2 3.000 . 4.200 3.159 3.154 3.167 . 0 0 "[ . 1 . 2]" 1
439 1 40 VAL HA 1 44 GLU HG3 3.700 . 5.600 3.749 2.776 3.904 . 0 0 "[ . 1 . 2]" 1
440 1 3 ALA MB 1 60 THR HA 3.400 . 5.000 1.973 1.893 2.046 . 0 0 "[ . 1 . 2]" 1
441 1 55 ASN HA 1 56 ALA MB 3.700 . 5.600 4.203 4.173 4.231 . 0 0 "[ . 1 . 2]" 1
442 1 55 ASN HB2 1 56 ALA MB 3.700 . 5.600 3.727 3.672 3.778 . 0 0 "[ . 1 . 2]" 1
443 1 55 ASN HB3 1 56 ALA MB 3.700 . 5.600 4.627 4.607 4.660 . 0 0 "[ . 1 . 2]" 1
444 1 17 LYS HG3 1 55 ASN HB2 3.700 . 5.600 4.603 4.540 4.643 . 0 0 "[ . 1 . 2]" 1
445 1 17 LYS HG3 1 55 ASN HB3 3.700 . 5.600 3.694 3.625 3.769 . 0 0 "[ . 1 . 2]" 1
446 1 13 ASN HB3 1 15 ASP HB2 3.700 . 5.600 3.872 2.480 4.439 . 0 0 "[ . 1 . 2]" 1
447 1 15 ASP HB3 1 17 LYS HE3 3.700 . 5.600 3.779 3.292 4.189 . 0 0 "[ . 1 . 2]" 1
448 1 15 ASP HA 1 15 ASP HB2 3.000 . 4.200 2.769 2.543 3.012 . 0 0 "[ . 1 . 2]" 1
449 1 17 LYS HD3 1 17 LYS HE3 3.000 . 4.200 2.671 2.627 2.800 . 0 0 "[ . 1 . 2]" 1
450 1 17 LYS HE3 1 17 LYS HG3 2.900 . 4.000 3.579 3.518 3.606 . 0 0 "[ . 1 . 2]" 1
451 1 17 LYS HD2 1 17 LYS HE3 2.900 . 4.000 2.994 2.926 3.011 . 0 0 "[ . 1 . 2]" 1
452 1 17 LYS H 1 17 LYS HD2 3.700 . 5.600 4.275 4.167 4.397 . 0 0 "[ . 1 . 2]" 1
453 1 17 LYS HD2 1 55 ASN HA 3.700 . 5.600 4.427 4.288 4.504 . 0 0 "[ . 1 . 2]" 1
454 1 17 LYS HA 1 17 LYS HD2 3.700 . 5.600 4.451 4.372 4.522 . 0 0 "[ . 1 . 2]" 1
455 1 17 LYS HD2 1 17 LYS HG3 2.900 . 4.000 2.359 2.349 2.385 . 0 0 "[ . 1 . 2]" 1
456 1 9 LYS H 1 9 LYS HD2 3.700 . 5.600 4.753 2.938 5.786 0.186 8 0 "[ . 1 . 2]" 1
457 1 2 SER HB3 1 4 LYS H 3.700 . 5.600 5.648 5.587 5.754 0.154 4 0 "[ . 1 . 2]" 1
458 1 2 SER HB3 1 67 LEU HG 3.700 . 5.600 5.633 5.601 5.676 0.076 16 0 "[ . 1 . 2]" 1
459 1 2 SER HB2 1 67 LEU HG 3.700 . 5.600 4.315 3.932 5.157 . 0 0 "[ . 1 . 2]" 1
460 1 2 SER HB2 1 4 LYS H 3.700 . 5.600 5.412 5.249 5.636 0.036 16 0 "[ . 1 . 2]" 1
461 1 18 LEU HB2 1 54 LEU MD2 3.600 . 5.400 2.277 2.182 2.452 . 0 0 "[ . 1 . 2]" 1
462 1 18 LEU HB2 1 18 LEU MD1 3.000 . 4.200 2.393 2.312 2.511 . 0 0 "[ . 1 . 2]" 1
463 1 18 LEU HB3 1 54 LEU MD2 3.600 . 5.400 1.850 1.788 1.903 0.012 15 0 "[ . 1 . 2]" 1
464 1 18 LEU HB3 1 18 LEU MD1 3.100 . 4.400 3.170 3.148 3.220 . 0 0 "[ . 1 . 2]" 1
465 1 18 LEU HB2 1 22 GLU HB3 3.700 . 5.600 4.545 3.873 4.881 . 0 0 "[ . 1 . 2]" 1
466 1 18 LEU HB2 1 23 PHE HA 3.700 . 5.600 5.636 5.560 5.765 0.165 12 0 "[ . 1 . 2]" 1
467 1 36 GLN HA 1 39 ILE MD 3.000 . 4.200 2.117 2.059 2.201 . 0 0 "[ . 1 . 2]" 1
468 1 36 GLN HB2 1 39 ILE MD 3.700 . 5.600 3.696 3.611 3.794 . 0 0 "[ . 1 . 2]" 1
469 1 36 GLN HB3 1 39 ILE MD 3.700 . 5.600 4.508 4.438 4.581 . 0 0 "[ . 1 . 2]" 1
470 1 48 VAL MG1 1 58 GLU HG2 3.400 . 5.000 2.490 2.435 2.550 . 0 0 "[ . 1 . 2]" 1
471 1 48 VAL MG1 1 58 GLU HG3 3.600 . 5.400 1.994 1.963 2.036 . 0 0 "[ . 1 . 2]" 1
472 1 22 GLU H 1 22 GLU HG2 3.500 . 5.200 3.865 3.509 4.679 . 0 0 "[ . 1 . 2]" 1
473 1 19 SER H 1 22 GLU HG2 3.700 . 5.600 3.658 2.896 4.344 . 0 0 "[ . 1 . 2]" 1
474 1 22 GLU HG2 1 23 PHE H 3.700 . 5.600 4.989 4.853 5.108 . 0 0 "[ . 1 . 2]" 1
475 1 18 LEU MD1 1 22 GLU HG2 3.700 . 5.600 3.601 2.724 4.623 . 0 0 "[ . 1 . 2]" 1
476 1 18 LEU MD1 1 22 GLU HG3 3.700 . 5.600 4.244 3.109 4.647 . 0 0 "[ . 1 . 2]" 1
477 1 7 PHE HA 1 18 LEU MD1 3.600 . 5.400 3.386 3.207 3.461 . 0 0 "[ . 1 . 2]" 1
478 1 6 VAL MG1 1 7 PHE HA 3.700 . 5.600 2.861 2.776 2.994 . 0 0 "[ . 1 . 2]" 1
479 1 47 ASP HB3 1 50 GLY HA2 3.700 . 5.600 4.550 3.625 5.624 0.024 9 0 "[ . 1 . 2]" 1
480 1 10 PHE HA 1 18 LEU MD1 3.700 . 5.600 4.603 4.542 4.710 . 0 0 "[ . 1 . 2]" 1
481 1 18 LEU MD1 1 22 GLU HB3 3.700 . 5.600 3.411 3.201 3.650 . 0 0 "[ . 1 . 2]" 1
482 1 18 LEU MD1 1 22 GLU HB2 3.600 . 5.400 3.698 3.391 4.234 . 0 0 "[ . 1 . 2]" 1
483 1 11 ASP HA 1 22 GLU HB2 3.700 . 5.600 5.727 5.636 5.800 0.200 19 0 "[ . 1 . 2]" 1
484 1 45 GLU HA 1 45 GLU HG2 3.600 . 5.400 2.485 2.282 3.339 . 0 0 "[ . 1 . 2]" 1
485 1 28 LEU HA 1 28 LEU HG 3.700 . 5.600 2.739 2.686 2.805 . 0 0 "[ . 1 . 2]" 1
486 1 26 VAL HB 1 27 ALA MB 3.700 . 5.600 3.856 3.751 3.918 . 0 0 "[ . 1 . 2]" 1
487 1 23 PHE HA 1 26 VAL MG1 3.700 . 5.600 2.531 2.465 2.580 . 0 0 "[ . 1 . 2]" 1
488 1 23 PHE HA 1 26 VAL MG2 3.200 . 4.600 2.426 2.244 2.535 . 0 0 "[ . 1 . 2]" 1
489 1 18 LEU MD2 1 23 PHE HA 3.500 . 5.200 2.956 2.873 3.065 . 0 0 "[ . 1 . 2]" 1
490 1 24 ARG HA 1 27 ALA H 3.700 . 5.600 2.985 2.818 3.138 . 0 0 "[ . 1 . 2]" 1
491 1 37 GLU HA 1 40 VAL MG1 3.400 . 5.000 3.779 3.664 3.858 . 0 0 "[ . 1 . 2]" 1
492 1 37 GLU HA 1 40 VAL MG2 3.700 . 5.600 1.892 1.880 1.907 . 0 0 "[ . 1 . 2]" 1
493 1 24 ARG HA 1 28 LEU MD2 3.200 . 4.600 3.749 3.554 3.845 . 0 0 "[ . 1 . 2]" 1
494 1 24 ARG HA 1 28 LEU MD1 3.000 . 4.200 2.883 2.729 3.144 . 0 0 "[ . 1 . 2]" 1
495 1 24 ARG HA 1 27 ALA MB 3.400 . 5.000 2.211 2.090 2.295 . 0 0 "[ . 1 . 2]" 1
496 1 27 ALA MB 1 39 ILE HG13 3.700 . 5.600 3.691 3.492 3.980 . 0 0 "[ . 1 . 2]" 1
497 1 27 ALA MB 1 39 ILE MD 3.400 . 5.000 2.162 2.078 2.260 . 0 0 "[ . 1 . 2]" 1
498 1 27 ALA MB 1 28 LEU H 3.700 . 5.600 2.494 2.319 2.695 . 0 0 "[ . 1 . 2]" 1
499 1 27 ALA MB 1 29 ALA H 3.700 . 5.600 4.397 4.285 4.504 . 0 0 "[ . 1 . 2]" 1
500 1 18 LEU HB3 1 54 LEU HB2 3.500 . 5.200 2.990 2.820 3.053 . 0 0 "[ . 1 . 2]" 1
501 1 4 LYS HE3 1 56 ALA MB 3.200 . 4.600 3.619 3.548 3.724 . 0 0 "[ . 1 . 2]" 1
502 1 9 LYS HE3 1 9 LYS HG3 3.000 . 4.200 3.403 2.455 4.224 0.024 1 0 "[ . 1 . 2]" 1
503 1 18 LEU MD2 1 54 LEU HB2 3.700 . 5.600 3.692 3.588 3.773 . 0 0 "[ . 1 . 2]" 1
504 1 54 LEU HB3 1 54 LEU MD2 3.400 . 5.000 2.968 2.938 2.987 . 0 0 "[ . 1 . 2]" 1
505 1 54 LEU HB2 1 59 PHE HB3 3.700 . 5.600 5.782 5.686 5.819 0.219 2 0 "[ . 1 . 2]" 1
506 1 54 LEU HB3 1 59 PHE HB3 3.700 . 5.600 4.947 4.833 5.226 . 0 0 "[ . 1 . 2]" 1
507 1 18 LEU H 1 54 LEU HB3 3.700 . 5.600 3.773 3.653 3.856 . 0 0 "[ . 1 . 2]" 1
508 1 23 PHE HB3 1 54 LEU MD2 3.700 . 5.600 2.585 2.371 2.732 . 0 0 "[ . 1 . 2]" 1
509 1 54 LEU MD2 1 59 PHE HA 3.700 . 5.600 4.760 4.640 4.831 . 0 0 "[ . 1 . 2]" 1
510 1 43 PHE HA 1 54 LEU MD2 3.700 . 5.600 4.528 4.362 4.610 . 0 0 "[ . 1 . 2]" 1
511 1 38 ASP HB2 1 39 ILE HG12 3.700 . 5.600 4.646 4.361 5.631 0.031 9 0 "[ . 1 . 2]" 1
512 1 18 LEU MD2 1 23 PHE HB3 3.700 . 5.600 4.087 3.992 4.153 . 0 0 "[ . 1 . 2]" 1
513 1 46 ILE HB 1 61 SER HB3 3.700 . 5.600 5.228 4.998 5.479 . 0 0 "[ . 1 . 2]" 1
514 1 21 ASP HA 1 24 ARG HB3 3.400 . 5.000 2.610 2.322 3.207 . 0 0 "[ . 1 . 2]" 1
515 1 26 VAL HA 1 26 VAL MG1 3.500 . 5.200 2.751 2.709 2.801 . 0 0 "[ . 1 . 2]" 1
516 1 26 VAL MG2 1 27 ALA HA 3.800 . 5.800 5.176 5.125 5.239 . 0 0 "[ . 1 . 2]" 1
517 1 36 GLN HA 1 39 ILE HB 2.900 . 4.000 2.702 2.512 2.912 . 0 0 "[ . 1 . 2]" 1
518 1 38 ASP HA 1 39 ILE H 3.700 . 5.600 3.533 3.515 3.556 . 0 0 "[ . 1 . 2]" 1
519 1 41 LYS HA 1 42 PHE HA 3.700 . 5.600 4.803 4.754 4.929 . 0 0 "[ . 1 . 2]" 1
520 1 41 LYS HA 1 44 GLU HB3 3.600 . 5.400 4.328 4.110 4.520 . 0 0 "[ . 1 . 2]" 1
521 1 41 LYS HA 1 44 GLU HB2 3.700 . 5.600 2.766 2.598 2.919 . 0 0 "[ . 1 . 2]" 1
522 1 44 GLU HA 1 47 ASP HB2 3.100 . 4.400 4.113 2.812 4.534 0.134 9 0 "[ . 1 . 2]" 1
523 1 58 GLU HA 1 59 PHE H 3.700 . 5.600 3.484 3.468 3.497 . 0 0 "[ . 1 . 2]" 1
524 1 58 GLU HA 1 62 CYS H 3.700 . 5.600 3.963 3.846 4.035 . 0 0 "[ . 1 . 2]" 1
525 1 59 PHE HA 1 62 CYS HB2 3.700 . 5.600 2.606 2.025 3.334 . 0 0 "[ . 1 . 2]" 1
526 1 59 PHE HA 1 62 CYS HB3 3.700 . 5.600 2.654 2.060 4.221 . 0 0 "[ . 1 . 2]" 1
527 1 60 THR HA 1 63 ILE MD 3.700 . 5.600 4.470 3.962 4.759 . 0 0 "[ . 1 . 2]" 1
528 1 19 SER H 1 53 GLU HA 3.700 . 5.600 4.236 4.157 4.357 . 0 0 "[ . 1 . 2]" 1
529 1 53 GLU HA 1 54 LEU HG 3.700 . 5.600 5.764 5.744 5.791 0.191 3 0 "[ . 1 . 2]" 1
530 1 17 LYS HA 1 18 LEU MD1 3.700 . 5.600 3.605 3.558 3.644 . 0 0 "[ . 1 . 2]" 1
531 1 20 LEU MD2 1 43 PHE HB2 3.500 . 5.200 1.990 1.944 2.056 . 0 0 "[ . 1 . 2]" 1
532 1 20 LEU MD1 1 43 PHE HB2 3.700 . 5.600 4.451 4.380 4.551 . 0 0 "[ . 1 . 2]" 1
533 1 18 LEU HA 1 54 LEU MD2 3.700 . 5.600 3.793 3.754 3.841 . 0 0 "[ . 1 . 2]" 1
534 1 11 ASP HA 1 18 LEU HA 3.700 . 5.600 4.695 4.563 4.788 . 0 0 "[ . 1 . 2]" 1
535 1 18 LEU HA 1 19 SER HB2 3.700 . 5.600 4.803 4.658 4.921 . 0 0 "[ . 1 . 2]" 1
536 1 18 LEU HA 1 22 GLU HA 3.700 . 5.600 5.969 5.919 6.034 0.434 16 0 "[ . 1 . 2]" 1
537 1 17 LYS HA 1 18 LEU HA 3.700 . 5.600 4.400 4.371 4.418 . 0 0 "[ . 1 . 2]" 1
538 1 8 GLU H 1 8 GLU HB2 3.600 . 5.400 2.743 2.373 3.586 . 0 0 "[ . 1 . 2]" 1
539 1 18 LEU HB3 1 54 LEU H 3.700 . 5.600 3.262 3.228 3.284 . 0 0 "[ . 1 . 2]" 1
540 1 18 LEU HB2 1 54 LEU H 3.700 . 5.600 3.253 3.185 3.464 . 0 0 "[ . 1 . 2]" 1
541 1 19 SER HB2 1 54 LEU MD2 3.700 . 5.600 4.871 4.820 4.902 . 0 0 "[ . 1 . 2]" 1
542 1 16 GLY HA3 1 17 LYS HG3 3.700 . 5.600 4.037 3.956 4.216 . 0 0 "[ . 1 . 2]" 1
543 1 17 LYS HD2 1 56 ALA H 3.700 . 5.600 5.059 4.751 5.167 . 0 0 "[ . 1 . 2]" 1
544 1 32 PRO HB3 1 32 PRO HD3 3.700 . 5.600 3.060 3.009 3.144 . 0 0 "[ . 1 . 2]" 1
545 1 32 PRO HB2 1 32 PRO HD2 3.700 . 5.600 4.029 3.994 4.048 . 0 0 "[ . 1 . 2]" 1
546 1 32 PRO HB3 1 32 PRO HD2 3.700 . 5.600 3.930 3.898 3.972 . 0 0 "[ . 1 . 2]" 1
547 1 31 SER HA 1 32 PRO HD3 3.100 . 4.400 3.080 2.655 3.226 . 0 0 "[ . 1 . 2]" 1
548 1 32 PRO HA 1 32 PRO HD3 3.600 . 5.400 3.410 3.272 3.557 . 0 0 "[ . 1 . 2]" 1
549 1 31 SER HA 1 32 PRO HD2 3.100 . 4.400 2.099 2.017 2.159 . 0 0 "[ . 1 . 2]" 1
550 1 32 PRO HA 1 32 PRO HD2 3.700 . 5.600 4.064 4.031 4.088 . 0 0 "[ . 1 . 2]" 1
551 1 31 SER H 1 32 PRO HD3 3.700 . 5.600 3.450 3.327 3.896 . 0 0 "[ . 1 . 2]" 1
552 1 32 PRO HD3 1 33 TYR H 3.700 . 5.600 4.150 4.063 4.223 . 0 0 "[ . 1 . 2]" 1
553 1 23 PHE HB3 1 27 ALA MB 3.700 . 5.600 4.633 4.591 4.676 . 0 0 "[ . 1 . 2]" 1
554 1 60 THR H 1 60 THR MG 3.600 . 5.400 1.908 1.747 2.205 0.053 20 0 "[ . 1 . 2]" 1
555 1 60 THR MG 1 62 CYS H 3.700 . 5.600 4.767 4.725 4.807 . 0 0 "[ . 1 . 2]" 1
556 1 4 LYS HA 1 60 THR MG 3.700 . 5.600 4.380 4.137 4.511 . 0 0 "[ . 1 . 2]" 1
557 1 60 THR HA 1 60 THR MG 3.300 . 4.800 2.385 2.287 2.574 . 0 0 "[ . 1 . 2]" 1
558 1 59 PHE HB3 1 60 THR MG 3.700 . 5.600 3.364 2.926 4.153 . 0 0 "[ . 1 . 2]" 1
559 1 4 LYS HB3 1 60 THR MG 3.700 . 5.600 4.639 4.582 4.719 . 0 0 "[ . 1 . 2]" 1
560 1 3 ALA MB 1 60 THR MG 3.100 . 4.400 2.427 2.218 2.701 . 0 0 "[ . 1 . 2]" 1
561 1 34 PHE HA 1 34 PHE QD 3.700 . 5.600 2.555 2.200 3.047 . 0 0 "[ . 1 . 2]" 1
562 1 19 SER HB2 1 20 LEU HB2 3.700 . 5.600 5.634 5.589 5.649 0.049 6 0 "[ . 1 . 2]" 1
563 1 54 LEU HA 1 55 ASN HA 3.700 . 5.600 4.429 4.422 4.438 . 0 0 "[ . 1 . 2]" 1
564 1 17 LYS HB3 1 55 ASN HB3 3.700 . 5.600 4.879 4.797 5.006 . 0 0 "[ . 1 . 2]" 1
565 1 17 LYS HA 1 55 ASN HB3 3.700 . 5.600 5.148 5.066 5.196 . 0 0 "[ . 1 . 2]" 1
566 1 17 LYS HA 1 55 ASN HB2 3.700 . 5.600 5.686 5.571 5.733 0.133 16 0 "[ . 1 . 2]" 1
567 1 19 SER HA 1 53 GLU HG3 3.700 . 5.600 4.581 4.433 4.782 . 0 0 "[ . 1 . 2]" 1
568 1 19 SER HA 1 53 GLU HB2 3.700 . 5.600 4.317 4.268 4.367 . 0 0 "[ . 1 . 2]" 1
569 1 11 ASP HA 1 12 LYS HG2 3.700 . 5.600 5.344 4.859 5.503 . 0 0 "[ . 1 . 2]" 1
570 1 17 LYS HA 1 54 LEU HA 3.700 . 5.600 5.243 5.147 5.467 . 0 0 "[ . 1 . 2]" 1
571 1 53 GLU HA 1 54 LEU HB2 3.700 . 5.600 4.667 4.623 4.699 . 0 0 "[ . 1 . 2]" 1
572 1 43 PHE QE 1 54 LEU HB2 3.900 . 6.000 4.216 4.180 4.250 . 0 0 "[ . 1 . 2]" 1
573 1 17 LYS HB3 1 56 ALA H 3.700 . 5.600 5.717 5.616 5.748 0.148 16 0 "[ . 1 . 2]" 1
574 1 16 GLY HA2 1 56 ALA MB 3.700 . 5.600 4.563 4.459 4.614 . 0 0 "[ . 1 . 2]" 1
575 1 16 GLY HA3 1 56 ALA MB 3.700 . 5.600 4.526 4.467 4.589 . 0 0 "[ . 1 . 2]" 1
576 1 16 GLY HA2 1 18 LEU MD1 3.700 . 5.600 4.851 4.740 4.887 . 0 0 "[ . 1 . 2]" 1
577 1 19 SER H 1 53 GLU HB2 3.700 . 5.600 5.574 5.450 5.615 0.015 1 0 "[ . 1 . 2]" 1
578 1 53 GLU HG2 1 54 LEU H 3.700 . 5.600 4.814 4.754 5.032 . 0 0 "[ . 1 . 2]" 1
579 1 53 GLU HG3 1 54 LEU H 3.700 . 5.600 5.095 5.060 5.285 . 0 0 "[ . 1 . 2]" 1
580 1 47 ASP HB2 1 50 GLY HA2 3.700 . 5.600 5.336 3.996 5.631 0.031 17 0 "[ . 1 . 2]" 1
581 1 50 GLY HA2 1 52 GLY HA2 3.700 . 5.600 4.329 4.244 4.392 . 0 0 "[ . 1 . 2]" 1
582 1 17 LYS HB3 1 18 LEU MD1 3.700 . 5.600 4.786 4.711 4.815 . 0 0 "[ . 1 . 2]" 1
583 1 20 LEU MD2 1 21 ASP HA 3.700 . 5.600 4.533 4.483 4.641 . 0 0 "[ . 1 . 2]" 1
584 1 20 LEU MD2 1 54 LEU MD1 3.700 . 5.600 3.711 3.667 3.741 . 0 0 "[ . 1 . 2]" 1
585 1 9 LYS H 1 10 PHE HB2 3.500 . 5.200 5.214 5.097 5.286 0.086 13 0 "[ . 1 . 2]" 1
586 1 12 LYS HB3 1 12 LYS HE3 3.600 . 5.400 3.988 3.554 4.330 . 0 0 "[ . 1 . 2]" 1
587 1 12 LYS HB3 1 12 LYS HG2 2.900 . 4.000 2.460 2.434 2.641 . 0 0 "[ . 1 . 2]" 1
588 1 12 LYS HB3 1 18 LEU MD1 3.700 . 5.600 4.490 4.236 4.556 . 0 0 "[ . 1 . 2]" 1
589 1 23 PHE HB2 1 54 LEU MD2 3.700 . 5.600 2.008 1.948 2.093 . 0 0 "[ . 1 . 2]" 1
590 1 4 LYS H 1 4 LYS HG3 3.700 . 5.600 4.413 4.149 4.507 . 0 0 "[ . 1 . 2]" 1
591 1 27 ALA HA 1 30 PHE HB2 3.700 . 5.600 4.852 4.123 5.612 0.012 5 0 "[ . 1 . 2]" 1
592 1 27 ALA HA 1 30 PHE HB3 3.700 . 5.600 4.516 3.703 5.588 . 0 0 "[ . 1 . 2]" 1
593 1 12 LYS HA 1 12 LYS HB3 2.700 . 3.600 2.864 2.738 2.901 . 0 0 "[ . 1 . 2]" 1
594 1 12 LYS HA 1 12 LYS HG3 3.300 . 4.800 3.210 3.099 3.596 . 0 0 "[ . 1 . 2]" 1
595 1 12 LYS HA 1 12 LYS HD3 3.200 . 4.600 4.576 4.481 4.635 0.035 15 0 "[ . 1 . 2]" 1
596 1 4 LYS HE3 1 4 LYS HG3 2.800 . 3.800 3.448 2.270 3.877 0.077 19 0 "[ . 1 . 2]" 1
597 1 4 LYS HD3 1 4 LYS HE3 2.700 . 3.600 2.629 2.282 3.035 . 0 0 "[ . 1 . 2]" 1
598 1 48 VAL MG2 1 58 GLU HG3 3.700 . 5.600 4.339 4.278 4.416 . 0 0 "[ . 1 . 2]" 1
599 1 6 VAL MG1 1 63 ILE MD 3.700 . 5.600 2.491 2.373 2.651 . 0 0 "[ . 1 . 2]" 1
600 1 63 ILE H 1 63 ILE MD 3.700 . 5.600 2.524 1.929 2.935 . 0 0 "[ . 1 . 2]" 1
601 1 63 ILE MD 1 65 LYS H 3.700 . 5.600 4.706 4.648 4.786 . 0 0 "[ . 1 . 2]" 1
602 1 15 ASP HB2 1 17 LYS HE3 3.700 . 5.600 4.977 4.512 5.413 . 0 0 "[ . 1 . 2]" 1
603 1 6 VAL MG1 1 7 PHE HB3 3.700 . 5.600 3.775 3.612 4.129 . 0 0 "[ . 1 . 2]" 1
604 1 7 PHE HB3 1 18 LEU MD1 3.700 . 5.600 4.582 4.519 4.854 . 0 0 "[ . 1 . 2]" 1
605 1 13 ASN H 1 14 LYS HA 3.400 . 5.000 4.190 4.152 4.255 . 0 0 "[ . 1 . 2]" 1
606 1 14 LYS HA 1 14 LYS HB3 2.800 . 3.800 2.387 2.339 2.581 . 0 0 "[ . 1 . 2]" 1
607 1 37 GLU H 1 37 GLU HB2 3.300 . 4.800 2.463 2.172 2.718 . 0 0 "[ . 1 . 2]" 1
608 1 4 LYS HB3 1 4 LYS HG3 3.000 . 4.200 2.885 2.487 3.020 . 0 0 "[ . 1 . 2]" 1
609 1 38 ASP HA 1 41 LYS HB3 3.500 . 5.100 2.722 2.604 2.851 . 0 0 "[ . 1 . 2]" 1
610 1 41 LYS HB3 1 42 PHE HA 3.700 . 5.600 4.112 3.969 4.219 . 0 0 "[ . 1 . 2]" 1
611 1 41 LYS HB3 1 41 LYS HE3 3.700 . 5.600 4.200 2.533 4.958 . 0 0 "[ . 1 . 2]" 1
612 1 38 ASP HB2 1 41 LYS HB3 3.700 . 5.600 5.583 5.080 5.646 0.046 5 0 "[ . 1 . 2]" 1
613 1 41 LYS HB3 1 41 LYS HG2 3.000 . 4.200 2.500 2.323 3.027 . 0 0 "[ . 1 . 2]" 1
614 1 40 VAL MG2 1 41 LYS HB3 3.700 . 5.600 3.993 3.794 4.133 . 0 0 "[ . 1 . 2]" 1
615 1 41 LYS HE3 1 41 LYS HG2 3.700 . 5.600 2.944 2.315 3.688 . 0 0 "[ . 1 . 2]" 1
616 1 41 LYS HE3 1 41 LYS HG3 3.700 . 5.600 3.310 2.569 4.240 . 0 0 "[ . 1 . 2]" 1
617 1 14 LYS HA 1 14 LYS HD2 3.400 . 5.000 4.647 3.674 5.007 0.007 12 0 "[ . 1 . 2]" 1
618 1 14 LYS H 1 14 LYS HD2 3.700 . 5.600 4.278 3.006 4.910 . 0 0 "[ . 1 . 2]" 1
619 1 14 LYS H 1 14 LYS HD3 3.700 . 5.600 4.181 2.645 5.224 . 0 0 "[ . 1 . 2]" 1
620 1 26 VAL HA 1 29 ALA MB 3.700 . 5.600 2.841 2.670 3.030 . 0 0 "[ . 1 . 2]" 1
621 1 47 ASP HA 1 48 VAL HA 3.700 . 5.600 4.623 4.593 4.657 . 0 0 "[ . 1 . 2]" 1
622 1 26 VAL MG1 1 26 VAL MG2 3.000 . 4.100 1.978 1.904 2.045 . 0 0 "[ . 1 . 2]" 1
623 1 18 LEU HA 1 22 GLU HG3 3.700 . 5.600 4.697 3.841 5.387 . 0 0 "[ . 1 . 2]" 1
624 1 18 LEU HA 1 22 GLU HG2 3.700 . 5.600 3.910 3.097 4.945 . 0 0 "[ . 1 . 2]" 1
625 1 34 PHE HA 1 34 PHE QE 3.700 . 5.600 4.272 4.132 4.502 . 0 0 "[ . 1 . 2]" 1
626 1 43 PHE QE 1 54 LEU HG 3.900 . 6.000 3.970 3.921 4.046 . 0 0 "[ . 1 . 2]" 1
627 1 43 PHE QD 1 54 LEU HG 3.700 . 5.600 3.512 3.434 3.574 . 0 0 "[ . 1 . 2]" 1
628 1 12 LYS HB3 1 22 GLU HG3 3.700 . 5.600 3.038 2.270 4.499 . 0 0 "[ . 1 . 2]" 1
629 1 12 LYS HD3 1 12 LYS HG2 2.900 . 4.000 2.685 2.626 2.734 . 0 0 "[ . 1 . 2]" 1
630 1 61 SER HA 1 64 GLU HB3 3.700 . 5.600 2.470 2.205 4.449 . 0 0 "[ . 1 . 2]" 1
631 1 20 LEU HB2 1 43 PHE QE 3.700 . 5.600 2.837 2.796 2.884 . 0 0 "[ . 1 . 2]" 1
632 1 18 LEU HB3 1 54 LEU HG 3.700 . 5.600 4.243 4.177 4.295 . 0 0 "[ . 1 . 2]" 1
633 1 32 PRO HA 1 32 PRO HG2 3.700 . 5.600 3.902 3.880 3.929 . 0 0 "[ . 1 . 2]" 1
634 1 54 LEU H 1 54 LEU MD1 3.700 . 5.600 2.682 2.500 2.762 . 0 0 "[ . 1 . 2]" 1
635 1 17 LYS HA 1 18 LEU HG 3.700 . 5.600 5.876 5.837 5.944 0.344 20 0 "[ . 1 . 2]" 1
636 1 17 LYS HB3 1 17 LYS HD3 3.100 . 4.400 3.617 3.595 3.651 . 0 0 "[ . 1 . 2]" 1
637 1 17 LYS HB3 1 53 GLU HA 3.800 . 5.800 4.529 4.476 4.624 . 0 0 "[ . 1 . 2]" 1
638 1 7 PHE QE 1 18 LEU HB2 3.800 . 5.800 4.221 2.455 4.575 . 0 0 "[ . 1 . 2]" 1
639 1 7 PHE QE 1 18 LEU HB3 3.800 . 5.800 5.285 4.016 5.531 . 0 0 "[ . 1 . 2]" 1
640 1 7 PHE HB2 1 18 LEU MD1 3.700 . 5.600 3.845 3.679 4.370 . 0 0 "[ . 1 . 2]" 1
641 1 18 LEU HA 1 54 LEU HB2 3.700 . 5.600 4.372 4.296 4.400 . 0 0 "[ . 1 . 2]" 1
642 1 34 PHE HB3 1 39 ILE HB 3.700 . 5.600 4.506 4.408 4.588 . 0 0 "[ . 1 . 2]" 1
643 1 51 ASN HB3 1 53 GLU HG3 3.700 . 5.600 3.005 2.410 4.238 . 0 0 "[ . 1 . 2]" 1
644 1 32 PRO HG3 1 33 TYR QD 3.700 . 5.600 5.155 4.730 5.356 . 0 0 "[ . 1 . 2]" 1
645 1 3 ALA MB 1 6 VAL HB 3.700 . 5.600 4.764 4.712 4.821 . 0 0 "[ . 1 . 2]" 1
646 1 17 LYS HA 1 55 ASN HA 3.400 . 5.000 2.986 2.907 3.021 . 0 0 "[ . 1 . 2]" 1
647 1 34 PHE QD 1 39 ILE MG 3.700 . 5.600 3.959 2.981 4.508 . 0 0 "[ . 1 . 2]" 1
648 1 17 LYS HA 1 18 LEU HB3 3.700 . 5.600 5.382 5.339 5.417 . 0 0 "[ . 1 . 2]" 1
649 1 17 LYS HA 1 18 LEU HB2 3.700 . 5.600 4.030 3.968 4.082 . 0 0 "[ . 1 . 2]" 1
650 1 18 LEU HB3 1 53 GLU HA 3.700 . 5.600 4.684 4.607 4.828 . 0 0 "[ . 1 . 2]" 1
651 1 38 ASP H 1 38 ASP HB3 3.000 . 4.200 3.539 2.972 3.636 . 0 0 "[ . 1 . 2]" 1
652 1 38 ASP H 1 39 ILE H 3.100 . 4.400 2.491 2.463 2.513 . 0 0 "[ . 1 . 2]" 1
653 1 37 GLU H 1 38 ASP H 3.000 . 4.200 2.511 2.432 2.593 . 0 0 "[ . 1 . 2]" 1
654 1 37 GLU HG3 1 38 ASP H 3.700 . 5.600 4.705 4.026 5.069 . 0 0 "[ . 1 . 2]" 1
655 1 26 VAL HB 1 27 ALA H 3.200 . 4.600 2.469 2.295 2.526 . 0 0 "[ . 1 . 2]" 1
656 1 38 ASP H 1 38 ASP HB2 3.300 . 4.800 2.450 2.217 3.324 . 0 0 "[ . 1 . 2]" 1
657 1 56 ALA H 1 57 ASP H 2.700 . 3.600 3.055 3.017 3.079 . 0 0 "[ . 1 . 2]" 1
658 1 40 VAL H 1 41 LYS H 2.900 . 4.000 2.603 2.551 2.645 . 0 0 "[ . 1 . 2]" 1
659 1 40 VAL H 1 40 VAL HB 2.600 . 3.400 3.582 3.564 3.605 0.205 3 0 "[ . 1 . 2]" 1
660 1 39 ILE MG 1 43 PHE H 3.300 . 4.800 3.823 3.748 3.876 . 0 0 "[ . 1 . 2]" 1
661 1 24 ARG H 1 24 ARG HB3 3.100 . 4.400 2.595 2.313 3.151 . 0 0 "[ . 1 . 2]" 1
662 1 57 ASP H 1 57 ASP HB3 2.500 . 3.200 2.679 2.511 2.848 . 0 0 "[ . 1 . 2]" 1
663 1 37 GLU HA 1 38 ASP H 3.100 . 4.400 3.552 3.533 3.578 . 0 0 "[ . 1 . 2]" 1
664 1 6 VAL HB 1 7 PHE H 3.100 . 4.400 3.413 3.276 3.561 . 0 0 "[ . 1 . 2]" 1
665 1 7 PHE H 1 7 PHE HA 2.800 . 3.800 2.873 2.840 2.921 . 0 0 "[ . 1 . 2]" 1
666 1 6 VAL HA 1 7 PHE H 3.500 . 5.200 3.504 3.429 3.531 . 0 0 "[ . 1 . 2]" 1
667 1 46 ILE MG 1 47 ASP H 3.700 . 5.600 2.135 2.002 2.405 . 0 0 "[ . 1 . 2]" 1
668 1 46 ILE HG13 1 47 ASP H 3.700 . 5.600 4.716 4.656 4.854 . 0 0 "[ . 1 . 2]" 1
669 1 46 ILE HB 1 47 ASP H 3.300 . 4.800 3.621 3.575 3.689 . 0 0 "[ . 1 . 2]" 1
670 1 46 ILE HA 1 47 ASP H 3.300 . 4.800 3.552 3.512 3.576 . 0 0 "[ . 1 . 2]" 1
671 1 44 GLU HA 1 47 ASP H 3.100 . 4.400 3.763 3.508 3.954 . 0 0 "[ . 1 . 2]" 1
672 1 4 LYS HA 1 7 PHE H 3.400 . 5.000 3.406 3.318 3.549 . 0 0 "[ . 1 . 2]" 1
673 1 22 GLU HB3 1 23 PHE H 3.100 . 4.400 3.291 2.610 3.611 . 0 0 "[ . 1 . 2]" 1
674 1 23 PHE H 1 25 GLU H 3.300 . 4.800 3.908 3.836 3.990 . 0 0 "[ . 1 . 2]" 1
675 1 22 GLU H 1 23 PHE H 2.800 . 3.800 2.536 2.479 2.578 . 0 0 "[ . 1 . 2]" 1
676 1 23 PHE H 1 24 ARG H 3.300 . 4.800 2.497 2.441 2.536 . 0 0 "[ . 1 . 2]" 1
677 1 18 LEU HA 1 19 SER H 2.700 . 3.600 2.240 2.202 2.261 . 0 0 "[ . 1 . 2]" 1
678 1 41 LYS H 1 42 PHE H 2.800 . 3.800 2.730 2.601 2.758 . 0 0 "[ . 1 . 2]" 1
679 1 18 LEU HB3 1 19 SER H 3.700 . 5.600 2.682 2.649 2.775 . 0 0 "[ . 1 . 2]" 1
680 1 18 LEU HB2 1 19 SER H 3.400 . 5.000 3.949 3.922 4.011 . 0 0 "[ . 1 . 2]" 1
681 1 19 SER H 1 22 GLU HB3 3.100 . 4.400 3.562 2.349 3.849 . 0 0 "[ . 1 . 2]" 1
682 1 19 SER H 1 22 GLU HG3 3.500 . 5.200 4.078 2.631 5.054 . 0 0 "[ . 1 . 2]" 1
683 1 19 SER H 1 19 SER HB2 3.200 . 4.600 2.693 2.619 2.780 . 0 0 "[ . 1 . 2]" 1
684 1 19 SER H 1 19 SER HB3 3.300 . 4.800 3.712 3.701 3.717 . 0 0 "[ . 1 . 2]" 1
685 1 63 ILE H 1 64 GLU H 3.400 . 5.000 2.491 2.351 2.912 . 0 0 "[ . 1 . 2]" 1
686 1 40 VAL HA 1 41 LYS H 3.500 . 5.200 3.589 3.563 3.608 . 0 0 "[ . 1 . 2]" 1
687 1 41 LYS H 1 41 LYS HA 3.000 . 4.200 2.862 2.851 2.887 . 0 0 "[ . 1 . 2]" 1
688 1 38 ASP HA 1 41 LYS H 3.400 . 5.000 3.586 3.435 3.718 . 0 0 "[ . 1 . 2]" 1
689 1 22 GLU H 1 22 GLU HB3 2.800 . 3.800 3.387 2.494 3.578 . 0 0 "[ . 1 . 2]" 1
690 1 21 ASP HB2 1 22 GLU H 2.800 . 3.800 3.041 2.547 3.798 . 0 0 "[ . 1 . 2]" 1
691 1 22 GLU H 1 22 GLU HA 2.900 . 4.000 2.869 2.861 2.874 . 0 0 "[ . 1 . 2]" 1
692 1 41 LYS H 1 41 LYS HD3 3.400 . 5.000 4.827 4.227 5.016 0.016 9 0 "[ . 1 . 2]" 1
693 1 41 LYS H 1 41 LYS HB3 2.800 . 3.800 2.626 2.543 2.705 . 0 0 "[ . 1 . 2]" 1
694 1 40 VAL HB 1 41 LYS H 2.900 . 4.000 3.750 3.680 3.829 . 0 0 "[ . 1 . 2]" 1
695 1 25 GLU HB3 1 26 VAL H 3.400 . 5.000 2.976 2.505 3.536 . 0 0 "[ . 1 . 2]" 1
696 1 23 PHE HA 1 24 ARG H 3.500 . 5.200 3.515 3.482 3.539 . 0 0 "[ . 1 . 2]" 1
697 1 23 PHE H 1 23 PHE HB3 2.800 . 3.800 2.438 2.368 2.523 . 0 0 "[ . 1 . 2]" 1
698 1 20 LEU HA 1 23 PHE H 3.300 . 4.800 3.349 3.275 3.506 . 0 0 "[ . 1 . 2]" 1
699 1 23 PHE H 1 23 PHE HA 3.000 . 4.100 2.857 2.840 2.868 . 0 0 "[ . 1 . 2]" 1
700 1 22 GLU HA 1 23 PHE H 3.300 . 4.800 3.525 3.496 3.549 . 0 0 "[ . 1 . 2]" 1
701 1 40 VAL H 1 40 VAL HA 3.000 . 4.200 2.897 2.890 2.902 . 0 0 "[ . 1 . 2]" 1
702 1 39 ILE HA 1 43 PHE H 3.600 . 5.400 3.589 3.463 3.829 . 0 0 "[ . 1 . 2]" 1
703 1 43 PHE H 1 43 PHE HB2 2.900 . 4.000 2.631 2.565 2.675 . 0 0 "[ . 1 . 2]" 1
704 1 43 PHE H 1 43 PHE HB3 2.700 . 3.600 2.388 2.361 2.415 . 0 0 "[ . 1 . 2]" 1
705 1 26 VAL H 1 27 ALA H 3.200 . 4.600 2.545 2.465 2.646 . 0 0 "[ . 1 . 2]" 1
706 1 23 PHE HA 1 26 VAL H 3.300 . 4.800 3.172 3.095 3.219 . 0 0 "[ . 1 . 2]" 1
707 1 26 VAL H 1 26 VAL HB 3.200 . 4.600 1.928 1.898 1.955 . 0 0 "[ . 1 . 2]" 1
708 1 43 PHE H 1 44 GLU H 3.100 . 4.400 2.663 2.627 2.713 . 0 0 "[ . 1 . 2]" 1
709 1 42 PHE H 1 43 PHE H 3.000 . 4.200 2.909 2.847 2.988 . 0 0 "[ . 1 . 2]" 1
710 1 54 LEU H 1 54 LEU HG 2.800 . 3.800 3.970 3.957 3.980 0.180 3 0 "[ . 1 . 2]" 1
711 1 53 GLU HB3 1 54 LEU H 3.200 . 4.600 2.925 2.879 3.001 . 0 0 "[ . 1 . 2]" 1
712 1 54 LEU H 1 54 LEU HB2 3.000 . 4.200 2.365 2.335 2.396 . 0 0 "[ . 1 . 2]" 1
713 1 53 GLU HA 1 54 LEU H 2.600 . 3.400 2.317 2.300 2.332 . 0 0 "[ . 1 . 2]" 1
714 1 19 SER HB3 1 20 LEU H 2.700 . 3.600 2.874 2.765 2.967 . 0 0 "[ . 1 . 2]" 1
715 1 20 LEU H 1 20 LEU HA 2.900 . 4.000 2.793 2.788 2.799 . 0 0 "[ . 1 . 2]" 1
716 1 19 SER HB2 1 20 LEU H 2.900 . 4.000 3.564 3.470 3.609 . 0 0 "[ . 1 . 2]" 1
717 1 17 LYS HB3 1 18 LEU H 3.000 . 4.200 2.657 2.595 2.721 . 0 0 "[ . 1 . 2]" 1
718 1 54 LEU HB3 1 55 ASN H 3.500 . 5.200 3.381 3.116 3.546 . 0 0 "[ . 1 . 2]" 1
719 1 55 ASN H 1 55 ASN HB3 3.500 . 5.200 3.390 3.343 3.467 . 0 0 "[ . 1 . 2]" 1
720 1 55 ASN H 1 55 ASN HB2 3.300 . 4.800 3.430 3.378 3.455 . 0 0 "[ . 1 . 2]" 1
721 1 18 LEU H 1 18 LEU HB3 3.100 . 4.400 3.403 3.370 3.431 . 0 0 "[ . 1 . 2]" 1
722 1 17 LYS HA 1 18 LEU H 2.700 . 3.600 2.155 2.138 2.186 . 0 0 "[ . 1 . 2]" 1
723 1 18 LEU H 1 53 GLU HB2 3.600 . 5.400 3.656 3.607 3.694 . 0 0 "[ . 1 . 2]" 1
724 1 20 LEU H 1 20 LEU HB3 2.700 . 3.600 2.685 2.595 2.731 . 0 0 "[ . 1 . 2]" 1
725 1 20 LEU H 1 20 LEU HG 3.400 . 5.000 4.489 4.445 4.589 . 0 0 "[ . 1 . 2]" 1
726 1 18 LEU H 1 18 LEU HG 3.200 . 4.600 4.442 4.421 4.507 . 0 0 "[ . 1 . 2]" 1
727 1 48 VAL H 1 48 VAL HB 3.100 . 4.400 2.517 2.475 2.555 . 0 0 "[ . 1 . 2]" 1
728 1 12 LYS H 1 12 LYS HG3 3.000 . 4.200 4.288 4.218 4.323 0.123 10 0 "[ . 1 . 2]" 1
729 1 12 LYS H 1 12 LYS HB3 2.600 . 3.400 2.010 1.976 2.061 . 0 0 "[ . 1 . 2]" 1
730 1 2 SER HA 1 3 ALA H 3.600 . 5.400 3.040 2.752 3.203 . 0 0 "[ . 1 . 2]" 1
731 1 67 LEU H 1 67 LEU HG 3.700 . 5.600 4.944 4.165 5.207 . 0 0 "[ . 1 . 2]" 1
732 1 67 LEU H 1 67 LEU HB3 3.000 . 4.200 3.567 2.374 3.853 . 0 0 "[ . 1 . 2]" 1
733 1 66 MET HB2 1 67 LEU H 3.700 . 5.600 2.842 1.936 4.304 . 0 0 "[ . 1 . 2]" 1
734 1 66 MET HA 1 67 LEU H 3.600 . 5.400 2.872 2.751 3.535 . 0 0 "[ . 1 . 2]" 1
735 1 54 LEU HA 1 55 ASN H 2.700 . 3.600 2.154 2.106 2.229 . 0 0 "[ . 1 . 2]" 1
736 1 38 ASP HB2 1 39 ILE H 3.700 . 5.600 2.811 2.634 3.501 . 0 0 "[ . 1 . 2]" 1
737 1 38 ASP HB3 1 39 ILE H 3.600 . 5.400 3.616 2.723 4.241 . 0 0 "[ . 1 . 2]" 1
738 1 29 ALA H 1 29 ALA MB 2.900 . 4.000 2.187 2.155 2.225 . 0 0 "[ . 1 . 2]" 1
739 1 29 ALA H 1 29 ALA HA 3.000 . 4.200 2.892 2.877 2.900 . 0 0 "[ . 1 . 2]" 1
740 1 55 ASN HB2 1 56 ALA H 2.800 . 3.800 2.246 2.220 2.285 . 0 0 "[ . 1 . 2]" 1
741 1 56 ALA H 1 56 ALA HA 3.000 . 4.200 2.847 2.814 2.867 . 0 0 "[ . 1 . 2]" 1
742 1 55 ASN HB3 1 56 ALA H 2.800 . 3.800 3.019 2.976 3.044 . 0 0 "[ . 1 . 2]" 1
743 1 55 ASN HA 1 56 ALA H 2.700 . 3.600 2.567 2.539 2.612 . 0 0 "[ . 1 . 2]" 1
744 1 6 VAL H 1 7 PHE H 3.100 . 4.400 2.639 2.533 2.693 . 0 0 "[ . 1 . 2]" 1
745 1 39 ILE H 1 39 ILE HB 2.900 . 4.000 2.639 2.542 2.717 . 0 0 "[ . 1 . 2]" 1
746 1 6 VAL H 1 6 VAL HB 2.900 . 4.000 2.115 2.066 2.243 . 0 0 "[ . 1 . 2]" 1
747 1 6 VAL H 1 6 VAL HA 3.000 . 4.200 2.839 2.833 2.846 . 0 0 "[ . 1 . 2]" 1
748 1 3 ALA HA 1 6 VAL H 3.400 . 5.000 3.590 3.424 3.698 . 0 0 "[ . 1 . 2]" 1
749 1 5 ARG HA 1 6 VAL H 3.200 . 4.600 3.568 3.547 3.582 . 0 0 "[ . 1 . 2]" 1
750 1 11 ASP H 1 11 ASP HB2 2.800 . 3.800 3.151 2.246 3.633 . 0 0 "[ . 1 . 2]" 1
751 1 10 PHE HB2 1 11 ASP H 3.200 . 4.700 3.198 3.078 3.409 . 0 0 "[ . 1 . 2]" 1
752 1 10 PHE HB3 1 11 ASP H 3.500 . 5.200 4.201 4.089 4.277 . 0 0 "[ . 1 . 2]" 1
753 1 57 ASP H 1 58 GLU H 2.800 . 3.800 2.775 2.625 2.856 . 0 0 "[ . 1 . 2]" 1
754 1 58 GLU H 1 59 PHE H 3.200 . 4.600 2.459 2.395 2.496 . 0 0 "[ . 1 . 2]" 1
755 1 58 GLU H 1 58 GLU HB3 2.800 . 3.800 3.607 3.589 3.628 . 0 0 "[ . 1 . 2]" 1
756 1 57 ASP HB3 1 58 GLU H 2.900 . 4.000 2.575 2.446 2.872 . 0 0 "[ . 1 . 2]" 1
757 1 58 GLU H 1 58 GLU HG3 2.900 . 4.000 3.830 3.752 3.934 . 0 0 "[ . 1 . 2]" 1
758 1 58 GLU H 1 58 GLU HA 3.000 . 4.200 2.885 2.872 2.904 . 0 0 "[ . 1 . 2]" 1
759 1 35 THR HB 1 36 GLN H 2.800 . 3.800 3.291 3.225 3.817 0.017 19 0 "[ . 1 . 2]" 1
760 1 36 GLN H 1 37 GLU H 3.100 . 4.400 2.747 2.667 2.801 . 0 0 "[ . 1 . 2]" 1
761 1 29 ALA H 1 30 PHE H 3.000 . 4.200 2.771 2.717 2.818 . 0 0 "[ . 1 . 2]" 1
762 1 5 ARG H 1 6 VAL H 2.900 . 4.000 2.721 2.666 2.763 . 0 0 "[ . 1 . 2]" 1
763 1 35 THR HA 1 36 GLN H 2.600 . 3.400 2.179 2.159 2.219 . 0 0 "[ . 1 . 2]" 1
764 1 10 PHE HA 1 11 ASP H 3.200 . 4.600 3.479 3.441 3.506 . 0 0 "[ . 1 . 2]" 1
765 1 11 ASP H 1 11 ASP HA 2.900 . 4.000 2.804 2.777 2.838 . 0 0 "[ . 1 . 2]" 1
766 1 36 GLN H 1 36 GLN HA 2.900 . 4.000 2.780 2.765 2.793 . 0 0 "[ . 1 . 2]" 1
767 1 36 GLN H 1 36 GLN HB2 2.900 . 4.000 2.249 2.049 2.305 . 0 0 "[ . 1 . 2]" 1
768 1 36 GLN H 1 36 GLN HB3 2.900 . 4.000 2.710 2.640 2.742 . 0 0 "[ . 1 . 2]" 1
769 1 53 GLU H 1 53 GLU HB2 3.000 . 4.200 3.189 3.164 3.220 . 0 0 "[ . 1 . 2]" 1
770 1 53 GLU H 1 53 GLU HG3 2.900 . 4.000 2.542 2.451 3.826 . 0 0 "[ . 1 . 2]" 1
771 1 53 GLU H 1 53 GLU HG2 2.900 . 4.000 3.302 2.248 3.448 . 0 0 "[ . 1 . 2]" 1
772 1 14 LYS H 1 14 LYS HB3 2.800 . 3.800 3.870 3.824 3.964 0.164 15 0 "[ . 1 . 2]" 1
773 1 14 LYS H 1 14 LYS HG3 2.700 . 3.600 2.441 2.088 2.862 . 0 0 "[ . 1 . 2]" 1
774 1 53 GLU H 1 53 GLU HA 2.800 . 3.800 2.964 2.959 2.966 . 0 0 "[ . 1 . 2]" 1
775 1 13 ASN HA 1 14 LYS H 3.100 . 4.400 3.113 3.097 3.138 . 0 0 "[ . 1 . 2]" 1
776 1 52 GLY HA2 1 53 GLU H 3.000 . 4.200 3.073 3.026 3.133 . 0 0 "[ . 1 . 2]" 1
777 1 8 GLU H 1 8 GLU HG3 3.000 . 4.200 2.906 2.220 3.731 . 0 0 "[ . 1 . 2]" 1
778 1 8 GLU H 1 8 GLU HA 3.000 . 4.200 2.810 2.802 2.823 . 0 0 "[ . 1 . 2]" 1
779 1 5 ARG HA 1 8 GLU H 3.400 . 5.000 3.436 3.255 3.572 . 0 0 "[ . 1 . 2]" 1
780 1 7 PHE H 1 8 GLU H 3.000 . 4.200 2.781 2.684 2.850 . 0 0 "[ . 1 . 2]" 1
781 1 8 GLU H 1 8 GLU HG2 3.300 . 4.800 3.385 2.124 4.339 . 0 0 "[ . 1 . 2]" 1
782 1 8 GLU H 1 8 GLU HB3 2.900 . 4.000 3.183 2.087 3.631 . 0 0 "[ . 1 . 2]" 1
783 1 33 TYR H 1 33 TYR HB2 3.500 . 5.200 2.796 2.589 3.255 . 0 0 "[ . 1 . 2]" 1
784 1 33 TYR H 1 33 TYR HB3 3.300 . 4.800 3.575 3.380 3.624 . 0 0 "[ . 1 . 2]" 1
785 1 32 PRO HA 1 33 TYR H 3.200 . 4.600 3.492 3.405 3.519 . 0 0 "[ . 1 . 2]" 1
786 1 49 ASP H 1 49 ASP HB2 2.900 . 4.000 3.274 3.193 3.334 . 0 0 "[ . 1 . 2]" 1
787 1 49 ASP H 1 49 ASP HB3 3.000 . 4.200 2.076 2.066 2.095 . 0 0 "[ . 1 . 2]" 1
788 1 44 GLU H 1 44 GLU HA 2.900 . 4.000 2.865 2.836 2.877 . 0 0 "[ . 1 . 2]" 1
789 1 40 VAL HA 1 44 GLU H 3.600 . 5.400 2.894 2.769 3.010 . 0 0 "[ . 1 . 2]" 1
790 1 43 PHE HA 1 44 GLU H 3.500 . 5.200 3.510 3.484 3.549 . 0 0 "[ . 1 . 2]" 1
791 1 44 GLU H 1 45 GLU H 3.200 . 4.600 2.610 2.552 2.790 . 0 0 "[ . 1 . 2]" 1
792 1 44 GLU H 1 44 GLU HB2 3.100 . 4.400 2.561 2.488 2.624 . 0 0 "[ . 1 . 2]" 1
793 1 43 PHE HB2 1 44 GLU H 3.200 . 4.600 3.714 3.689 3.750 . 0 0 "[ . 1 . 2]" 1
794 1 44 GLU H 1 44 GLU HG3 3.000 . 4.200 3.299 2.097 3.400 . 0 0 "[ . 1 . 2]" 1
795 1 44 GLU H 1 44 GLU HG2 3.200 . 4.600 2.304 2.110 3.605 . 0 0 "[ . 1 . 2]" 1
796 1 44 GLU H 1 44 GLU HB3 3.000 . 4.200 3.668 3.649 3.678 . 0 0 "[ . 1 . 2]" 1
797 1 8 GLU H 1 9 LYS H 3.200 . 4.600 2.844 2.763 2.912 . 0 0 "[ . 1 . 2]" 1
798 1 12 LYS HG3 1 13 ASN H 3.500 . 5.200 4.187 4.121 4.235 . 0 0 "[ . 1 . 2]" 1
799 1 15 ASP HA 1 16 GLY H 3.100 . 4.400 3.611 3.602 3.646 . 0 0 "[ . 1 . 2]" 1
800 1 15 ASP H 1 16 GLY H 2.600 . 3.400 2.217 2.199 2.267 . 0 0 "[ . 1 . 2]" 1
801 1 15 ASP HB2 1 16 GLY H 3.700 . 5.600 3.587 3.035 4.050 . 0 0 "[ . 1 . 2]" 1
802 1 16 GLY H 1 16 GLY HA2 2.800 . 3.800 2.401 2.381 2.412 . 0 0 "[ . 1 . 2]" 1
803 1 12 LYS HG2 1 13 ASN H 3.400 . 5.000 3.234 2.699 3.349 . 0 0 "[ . 1 . 2]" 1
804 1 49 ASP HB2 1 50 GLY H 3.300 . 4.800 4.453 4.444 4.461 . 0 0 "[ . 1 . 2]" 1
805 1 49 ASP H 1 50 GLY H 2.600 . 3.400 2.459 2.442 2.482 . 0 0 "[ . 1 . 2]" 1
806 1 13 ASN H 1 13 ASN HB2 2.800 . 3.800 3.616 3.030 3.757 . 0 0 "[ . 1 . 2]" 1
807 1 13 ASN H 1 13 ASN HB3 2.900 . 4.000 3.176 2.575 3.431 . 0 0 "[ . 1 . 2]" 1
808 1 12 LYS HD3 1 13 ASN H 3.500 . 5.200 5.304 4.754 5.393 0.193 10 0 "[ . 1 . 2]" 1
809 1 47 ASP HA 1 50 GLY H 3.600 . 5.400 4.268 4.186 4.313 . 0 0 "[ . 1 . 2]" 1
810 1 22 GLU HA 1 25 GLU H 3.400 . 5.000 3.296 3.170 3.455 . 0 0 "[ . 1 . 2]" 1
811 1 59 PHE HB3 1 60 THR H 3.500 . 5.200 3.022 2.556 3.676 . 0 0 "[ . 1 . 2]" 1
812 1 23 PHE HA 1 25 GLU H 3.700 . 5.600 4.130 3.984 4.203 . 0 0 "[ . 1 . 2]" 1
813 1 24 ARG H 1 25 GLU H 3.400 . 5.000 2.244 2.213 2.271 . 0 0 "[ . 1 . 2]" 1
814 1 24 ARG HB3 1 25 GLU H 3.100 . 4.400 2.848 2.747 2.970 . 0 0 "[ . 1 . 2]" 1
815 1 25 GLU H 1 25 GLU HB3 2.800 . 3.800 3.116 2.390 3.647 . 0 0 "[ . 1 . 2]" 1
816 1 24 ARG HA 1 25 GLU H 3.400 . 5.000 3.449 3.442 3.464 . 0 0 "[ . 1 . 2]" 1
817 1 25 GLU H 1 25 GLU HA 2.900 . 4.000 2.950 2.941 2.956 . 0 0 "[ . 1 . 2]" 1
818 1 7 PHE HA 1 10 PHE H 3.700 . 5.600 3.116 2.904 3.446 . 0 0 "[ . 1 . 2]" 1
819 1 9 LYS HA 1 10 PHE H 3.400 . 5.000 3.563 3.547 3.591 . 0 0 "[ . 1 . 2]" 1
820 1 9 LYS H 1 10 PHE H 3.200 . 4.600 2.777 2.657 2.905 . 0 0 "[ . 1 . 2]" 1
821 1 10 PHE H 1 10 PHE HB2 3.000 . 4.200 2.591 2.423 2.656 . 0 0 "[ . 1 . 2]" 1
822 1 51 ASN HA 1 52 GLY H 3.500 . 5.200 3.232 3.148 3.277 . 0 0 "[ . 1 . 2]" 1
823 1 52 GLY H 1 52 GLY HA2 3.000 . 4.200 2.357 2.354 2.359 . 0 0 "[ . 1 . 2]" 1
824 1 47 ASP HA 1 49 ASP H 3.200 . 4.600 3.548 3.493 3.666 . 0 0 "[ . 1 . 2]" 1
825 1 66 MET H 1 66 MET HG2 3.200 . 4.600 3.108 2.327 4.159 . 0 0 "[ . 1 . 2]" 1
826 1 65 LYS HB3 1 66 MET H 3.000 . 4.100 3.271 2.882 3.704 . 0 0 "[ . 1 . 2]" 1
827 1 66 MET H 1 66 MET HB3 3.100 . 4.400 3.616 2.654 4.147 . 0 0 "[ . 1 . 2]" 1
828 1 66 MET H 1 67 LEU HB3 3.300 . 4.800 4.343 4.064 4.791 . 0 0 "[ . 1 . 2]" 1
829 1 62 CYS H 1 63 ILE H 3.400 . 5.000 2.382 2.285 2.534 . 0 0 "[ . 1 . 2]" 1
830 1 61 SER H 1 62 CYS H 3.500 . 5.200 2.513 2.405 2.742 . 0 0 "[ . 1 . 2]" 1
831 1 61 SER HB3 1 62 CYS H 3.300 . 4.800 3.144 2.791 3.196 . 0 0 "[ . 1 . 2]" 1
832 1 62 CYS H 1 62 CYS HB2 3.200 . 4.600 2.509 2.111 3.096 . 0 0 "[ . 1 . 2]" 1
833 1 65 LYS HG3 1 66 MET H 3.400 . 5.000 4.764 3.818 5.272 0.272 18 0 "[ . 1 . 2]" 1
834 1 16 GLY HA2 1 17 LYS H 3.000 . 4.200 3.057 3.016 3.081 . 0 0 "[ . 1 . 2]" 1
835 1 17 LYS H 1 17 LYS HA 2.900 . 4.000 2.906 2.890 2.910 . 0 0 "[ . 1 . 2]" 1
836 1 16 GLY H 1 17 LYS H 2.700 . 3.600 1.831 1.803 1.862 . 0 0 "[ . 1 . 2]" 1
837 1 17 LYS H 1 17 LYS HD3 3.300 . 4.800 2.738 2.630 2.857 . 0 0 "[ . 1 . 2]" 1
838 1 4 LYS H 1 4 LYS HA 3.000 . 4.200 2.931 2.916 2.934 . 0 0 "[ . 1 . 2]" 1
839 1 4 LYS HB3 1 5 ARG H 2.800 . 3.800 2.793 2.691 2.951 . 0 0 "[ . 1 . 2]" 1
840 1 9 LYS H 1 9 LYS HA 2.900 . 4.000 2.833 2.797 2.883 . 0 0 "[ . 1 . 2]" 1
841 1 8 GLU HA 1 9 LYS H 3.300 . 4.800 3.549 3.520 3.566 . 0 0 "[ . 1 . 2]" 1
842 1 4 LYS HA 1 5 ARG H 3.100 . 4.400 3.511 3.487 3.526 . 0 0 "[ . 1 . 2]" 1
843 1 5 ARG H 1 5 ARG HA 2.800 . 3.800 2.867 2.850 2.890 . 0 0 "[ . 1 . 2]" 1
844 1 51 ASN H 1 51 ASN HB2 2.800 . 3.800 2.902 2.602 3.662 . 0 0 "[ . 1 . 2]" 1
845 1 64 GLU H 1 64 GLU HB3 3.000 . 4.200 2.784 2.566 3.574 . 0 0 "[ . 1 . 2]" 1
846 1 61 SER HA 1 64 GLU H 3.700 . 5.600 2.926 2.565 3.721 . 0 0 "[ . 1 . 2]" 1
847 1 4 LYS H 1 5 ARG H 3.000 . 4.200 2.312 2.267 2.373 . 0 0 "[ . 1 . 2]" 1
848 1 45 GLU H 1 45 GLU HB2 3.100 . 4.400 2.318 2.225 2.731 . 0 0 "[ . 1 . 2]" 1
849 1 45 GLU H 1 45 GLU HG3 3.300 . 4.800 4.546 4.441 4.581 . 0 0 "[ . 1 . 2]" 1
850 1 45 GLU H 1 45 GLU HA 2.900 . 4.000 2.899 2.870 2.907 . 0 0 "[ . 1 . 2]" 1
851 1 3 ALA MB 1 4 LYS H 2.900 . 4.000 2.685 2.599 2.777 . 0 0 "[ . 1 . 2]" 1
852 1 4 LYS H 1 4 LYS HB3 2.800 . 3.800 2.321 2.206 2.447 . 0 0 "[ . 1 . 2]" 1
853 1 51 ASN H 1 51 ASN HB3 2.900 . 4.000 2.621 2.455 2.848 . 0 0 "[ . 1 . 2]" 1
854 1 50 GLY H 1 51 ASN H 2.800 . 3.800 2.700 2.637 2.763 . 0 0 "[ . 1 . 2]" 1
855 1 51 ASN H 1 51 ASN HA 2.800 . 3.800 2.924 2.913 2.940 . 0 0 "[ . 1 . 2]" 1
856 1 64 GLU H 1 65 LYS H 3.200 . 4.600 2.775 2.575 2.863 . 0 0 "[ . 1 . 2]" 1
857 1 20 LEU H 1 21 ASP H 2.800 . 3.800 2.476 2.440 2.509 . 0 0 "[ . 1 . 2]" 1
858 1 21 ASP H 1 22 GLU H 2.800 . 3.800 2.762 2.726 2.807 . 0 0 "[ . 1 . 2]" 1
859 1 14 LYS HA 1 15 ASP H 2.700 . 3.600 2.604 2.582 2.622 . 0 0 "[ . 1 . 2]" 1
860 1 15 ASP H 1 17 LYS HD3 3.400 . 5.000 4.974 4.832 5.050 0.050 18 0 "[ . 1 . 2]" 1
861 1 15 ASP H 1 15 ASP HB2 3.000 . 4.200 2.563 2.339 2.818 . 0 0 "[ . 1 . 2]" 1
862 1 65 LYS H 1 65 LYS HD3 3.200 . 4.600 4.644 3.836 4.762 0.162 6 0 "[ . 1 . 2]" 1
863 1 65 LYS H 1 65 LYS HB3 2.800 . 3.800 2.781 2.227 3.202 . 0 0 "[ . 1 . 2]" 1
864 1 64 GLU HB3 1 65 LYS H 3.000 . 4.200 3.115 2.923 3.955 . 0 0 "[ . 1 . 2]" 1
865 1 64 GLU HG3 1 65 LYS H 3.500 . 5.200 4.918 4.285 5.275 0.075 13 0 "[ . 1 . 2]" 1
866 1 64 GLU HA 1 65 LYS H 3.200 . 4.600 3.545 3.464 3.586 . 0 0 "[ . 1 . 2]" 1
867 1 65 LYS H 1 65 LYS HA 2.900 . 4.000 2.842 2.797 2.934 . 0 0 "[ . 1 . 2]" 1
868 1 19 SER HB2 1 21 ASP H 3.200 . 4.600 2.364 2.255 2.430 . 0 0 "[ . 1 . 2]" 1
869 1 21 ASP H 1 21 ASP HB2 2.600 . 3.400 2.660 2.325 2.908 . 0 0 "[ . 1 . 2]" 1
870 1 21 ASP H 1 21 ASP HB3 2.700 . 3.600 3.284 2.750 3.617 0.017 15 0 "[ . 1 . 2]" 1
871 1 20 LEU HG 1 21 ASP H 3.300 . 4.800 5.185 5.054 5.235 0.435 12 0 "[ . 1 . 2]" 1
872 1 37 GLU H 1 37 GLU HA 3.000 . 4.200 2.925 2.911 2.934 . 0 0 "[ . 1 . 2]" 1
873 1 36 GLN HA 1 37 GLU H 3.400 . 5.000 3.473 3.437 3.505 . 0 0 "[ . 1 . 2]" 1
874 1 35 THR HB 1 37 GLU H 3.200 . 4.600 2.493 2.337 4.220 . 0 0 "[ . 1 . 2]" 1
875 1 37 GLU H 1 37 GLU HG3 3.500 . 5.200 3.713 2.201 4.524 . 0 0 "[ . 1 . 2]" 1
876 1 58 GLU HB3 1 59 PHE H 3.400 . 5.000 3.761 3.715 3.848 . 0 0 "[ . 1 . 2]" 1
877 1 59 PHE H 1 59 PHE HB3 3.000 . 4.200 3.460 3.143 3.675 . 0 0 "[ . 1 . 2]" 1
878 1 36 GLN HB2 1 37 GLU H 3.300 . 4.800 3.826 3.660 3.897 . 0 0 "[ . 1 . 2]" 1
879 1 37 GLU H 1 37 GLU HG2 3.400 . 5.000 3.848 2.098 4.717 . 0 0 "[ . 1 . 2]" 1
880 1 37 GLU H 1 37 GLU HB3 2.800 . 3.800 3.204 2.491 3.665 . 0 0 "[ . 1 . 2]" 1
881 1 15 ASP H 1 17 LYS H 2.900 . 4.000 3.311 3.265 3.363 . 0 0 "[ . 1 . 2]" 1
882 1 6 VAL H 1 6 VAL MG1 2.700 . 3.600 2.897 2.672 2.972 . 0 0 "[ . 1 . 2]" 1
883 1 5 ARG HA 1 9 LYS H 3.400 . 5.000 4.393 4.241 4.499 . 0 0 "[ . 1 . 2]" 1
884 1 9 LYS H 1 9 LYS HB3 2.700 . 3.600 3.187 2.220 3.629 0.029 9 0 "[ . 1 . 2]" 1
885 1 9 LYS H 1 9 LYS HD3 3.600 . 5.400 3.690 1.824 5.394 . 0 0 "[ . 1 . 2]" 1
886 1 9 LYS H 1 9 LYS HG3 3.600 . 5.400 4.171 3.550 4.644 . 0 0 "[ . 1 . 2]" 1
887 1 8 GLU HB2 1 9 LYS H 3.100 . 4.400 2.938 2.349 4.164 . 0 0 "[ . 1 . 2]" 1
888 1 8 GLU HB3 1 9 LYS H 3.200 . 4.600 3.359 3.168 3.709 . 0 0 "[ . 1 . 2]" 1
889 1 9 LYS H 1 9 LYS HE3 3.700 . 5.600 4.933 3.573 5.769 0.169 17 0 "[ . 1 . 2]" 1
890 1 7 PHE HA 1 9 LYS H 3.700 . 5.600 4.362 4.063 4.623 . 0 0 "[ . 1 . 2]" 1
891 1 9 LYS H 1 9 LYS HG2 3.700 . 5.600 3.747 1.983 4.632 . 0 0 "[ . 1 . 2]" 1
892 1 12 LYS H 1 18 LEU MD1 3.200 . 4.600 3.169 2.904 3.250 . 0 0 "[ . 1 . 2]" 1
893 1 11 ASP H 1 18 LEU MD1 3.000 . 4.200 3.355 3.234 3.491 . 0 0 "[ . 1 . 2]" 1
894 1 19 SER H 1 22 GLU HB2 3.200 . 4.600 2.183 1.996 2.903 . 0 0 "[ . 1 . 2]" 1
895 1 18 LEU MD2 1 19 SER H 3.100 . 4.400 3.846 3.786 3.904 . 0 0 "[ . 1 . 2]" 1
896 1 19 SER H 1 22 GLU H 3.400 . 5.000 2.657 2.613 2.692 . 0 0 "[ . 1 . 2]" 1
897 1 19 SER H 1 43 PHE QE 3.700 . 5.600 4.265 4.179 4.315 . 0 0 "[ . 1 . 2]" 1
898 1 18 LEU H 1 18 LEU MD2 3.400 . 5.000 4.293 4.200 4.336 . 0 0 "[ . 1 . 2]" 1
899 1 18 LEU H 1 54 LEU MD2 3.600 . 5.400 3.282 3.217 3.386 . 0 0 "[ . 1 . 2]" 1
900 1 18 LEU H 1 54 LEU HB2 3.300 . 4.800 2.409 2.314 2.496 . 0 0 "[ . 1 . 2]" 1
901 1 18 LEU H 1 59 PHE QE 3.200 . 4.600 2.865 2.089 3.074 . 0 0 "[ . 1 . 2]" 1
902 1 18 LEU H 1 19 SER H 3.700 . 5.600 4.445 4.437 4.452 . 0 0 "[ . 1 . 2]" 1
903 1 20 LEU H 1 22 GLU H 3.600 . 5.400 4.387 4.335 4.474 . 0 0 "[ . 1 . 2]" 1
904 1 19 SER HA 1 20 LEU H 2.600 . 3.400 2.341 2.313 2.374 . 0 0 "[ . 1 . 2]" 1
905 1 20 LEU H 1 20 LEU HB2 2.700 . 3.600 2.333 2.282 2.444 . 0 0 "[ . 1 . 2]" 1
906 1 20 LEU H 1 20 LEU MD2 3.200 . 4.600 3.820 3.794 3.839 . 0 0 "[ . 1 . 2]" 1
907 1 20 LEU HB2 1 21 ASP H 2.900 . 4.000 3.778 3.734 3.880 . 0 0 "[ . 1 . 2]" 1
908 1 20 LEU MD2 1 21 ASP H 3.400 . 5.000 4.182 4.152 4.256 . 0 0 "[ . 1 . 2]" 1
909 1 20 LEU HB3 1 21 ASP H 2.800 . 3.800 2.849 2.801 2.897 . 0 0 "[ . 1 . 2]" 1
910 1 20 LEU HA 1 21 ASP H 3.200 . 4.600 3.313 3.296 3.347 . 0 0 "[ . 1 . 2]" 1
911 1 19 SER HA 1 21 ASP H 3.200 . 4.600 3.603 3.563 3.675 . 0 0 "[ . 1 . 2]" 1
912 1 19 SER HB3 1 21 ASP H 2.900 . 4.000 2.741 2.628 2.889 . 0 0 "[ . 1 . 2]" 1
913 1 21 ASP H 1 21 ASP HA 2.600 . 3.400 2.878 2.863 2.888 . 0 0 "[ . 1 . 2]" 1
914 1 21 ASP H 1 23 PHE H 3.500 . 5.200 4.009 3.877 4.091 . 0 0 "[ . 1 . 2]" 1
915 1 18 LEU MD2 1 22 GLU H 3.500 . 5.200 4.283 4.169 4.360 . 0 0 "[ . 1 . 2]" 1
916 1 18 LEU HA 1 22 GLU H 3.700 . 5.600 4.698 4.625 4.740 . 0 0 "[ . 1 . 2]" 1
917 1 19 SER HA 1 22 GLU H 3.700 . 5.600 4.220 4.157 4.274 . 0 0 "[ . 1 . 2]" 1
918 1 22 GLU H 1 23 PHE HB3 3.600 . 5.400 4.689 4.584 4.774 . 0 0 "[ . 1 . 2]" 1
919 1 18 LEU HB2 1 23 PHE H 3.400 . 5.000 4.918 4.825 5.003 0.003 18 0 "[ . 1 . 2]" 1
920 1 18 LEU HA 1 23 PHE H 3.700 . 5.600 5.227 5.157 5.293 . 0 0 "[ . 1 . 2]" 1
921 1 22 GLU HG3 1 23 PHE H 3.400 . 5.000 4.762 3.778 5.090 0.090 1 0 "[ . 1 . 2]" 1
922 1 22 GLU HB2 1 23 PHE H 3.200 . 4.600 2.874 2.594 3.929 . 0 0 "[ . 1 . 2]" 1
923 1 20 LEU MD2 1 23 PHE H 3.500 . 5.200 3.958 3.863 4.186 . 0 0 "[ . 1 . 2]" 1
924 1 18 LEU MD2 1 23 PHE H 3.300 . 4.800 3.054 2.935 3.195 . 0 0 "[ . 1 . 2]" 1
925 1 19 SER H 1 23 PHE H 3.400 . 5.000 3.765 3.674 3.834 . 0 0 "[ . 1 . 2]" 1
926 1 23 PHE H 1 24 ARG HB3 3.700 . 5.600 4.913 4.513 5.554 . 0 0 "[ . 1 . 2]" 1
927 1 26 VAL H 1 27 ALA MB 3.700 . 5.600 4.245 4.194 4.333 . 0 0 "[ . 1 . 2]" 1
928 1 26 VAL H 1 26 VAL MG1 3.600 . 5.400 3.468 3.428 3.505 . 0 0 "[ . 1 . 2]" 1
929 1 26 VAL H 1 26 VAL MG2 3.000 . 4.200 2.674 2.617 2.780 . 0 0 "[ . 1 . 2]" 1
930 1 25 GLU HA 1 26 VAL H 3.500 . 5.200 3.440 3.427 3.455 . 0 0 "[ . 1 . 2]" 1
931 1 26 VAL MG1 1 27 ALA H 3.600 . 5.400 2.524 2.366 2.710 . 0 0 "[ . 1 . 2]" 1
932 1 26 VAL MG2 1 27 ALA H 3.600 . 5.400 3.897 3.799 3.931 . 0 0 "[ . 1 . 2]" 1
933 1 27 ALA H 1 27 ALA MB 3.000 . 4.200 2.240 2.209 2.263 . 0 0 "[ . 1 . 2]" 1
934 1 28 LEU MD1 1 29 ALA H 3.700 . 5.600 4.047 4.001 4.110 . 0 0 "[ . 1 . 2]" 1
935 1 28 LEU H 1 29 ALA H 3.400 . 5.000 2.503 2.373 2.635 . 0 0 "[ . 1 . 2]" 1
936 1 30 PHE H 1 30 PHE HB3 3.500 . 5.100 3.029 2.310 3.591 . 0 0 "[ . 1 . 2]" 1
937 1 30 PHE H 1 30 PHE HB2 3.400 . 5.000 2.329 2.078 2.871 . 0 0 "[ . 1 . 2]" 1
938 1 30 PHE H 1 31 SER H 3.500 . 5.200 2.610 2.508 2.921 . 0 0 "[ . 1 . 2]" 1
939 1 29 ALA MB 1 30 PHE H 3.600 . 5.400 2.118 2.052 2.160 . 0 0 "[ . 1 . 2]" 1
940 1 29 ALA H 1 31 SER H 3.700 . 5.600 4.126 4.060 4.232 . 0 0 "[ . 1 . 2]" 1
941 1 30 PHE HB3 1 31 SER H 3.700 . 5.600 2.680 2.250 3.375 . 0 0 "[ . 1 . 2]" 1
942 1 30 PHE HA 1 31 SER H 3.700 . 5.600 3.580 3.573 3.586 . 0 0 "[ . 1 . 2]" 1
943 1 32 PRO HD2 1 33 TYR H 3.600 . 5.400 3.139 2.974 3.323 . 0 0 "[ . 1 . 2]" 1
944 1 33 TYR H 1 33 TYR QD 3.200 . 4.600 2.629 2.312 2.899 . 0 0 "[ . 1 . 2]" 1
945 1 34 PHE HA 1 35 THR H 3.400 . 5.000 2.108 2.086 2.280 . 0 0 "[ . 1 . 2]" 1
946 1 35 THR H 1 35 THR MG 3.500 . 5.200 3.242 2.173 3.323 . 0 0 "[ . 1 . 2]" 1
947 1 36 GLN H 1 36 GLN HG3 3.300 . 4.800 4.528 4.470 4.547 . 0 0 "[ . 1 . 2]" 1
948 1 35 THR MG 1 36 GLN H 3.100 . 4.400 2.852 2.812 3.289 . 0 0 "[ . 1 . 2]" 1
949 1 36 GLN H 1 39 ILE MD 3.700 . 5.600 3.243 3.107 3.399 . 0 0 "[ . 1 . 2]" 1
950 1 66 MET HB3 1 67 LEU H 3.700 . 5.600 3.312 1.973 4.613 . 0 0 "[ . 1 . 2]" 1
951 1 67 LEU H 1 67 LEU HB2 3.300 . 4.800 2.979 2.289 3.532 . 0 0 "[ . 1 . 2]" 1
952 1 64 GLU HA 1 67 LEU H 3.700 . 5.600 5.056 2.424 5.633 0.033 14 0 "[ . 1 . 2]" 1
953 1 63 ILE MG 1 66 MET H 3.700 . 5.600 3.741 3.491 4.381 . 0 0 "[ . 1 . 2]" 1
954 1 65 LYS HA 1 66 MET H 3.100 . 4.400 3.327 3.118 3.455 . 0 0 "[ . 1 . 2]" 1
955 1 63 ILE HA 1 66 MET H 3.700 . 5.600 3.801 3.072 4.860 . 0 0 "[ . 1 . 2]" 1
956 1 64 GLU HA 1 66 MET H 3.400 . 5.000 3.052 2.796 3.921 . 0 0 "[ . 1 . 2]" 1
957 1 66 MET H 1 67 LEU H 2.800 . 3.800 3.807 1.907 4.248 0.448 2 0 "[ . 1 . 2]" 1
958 1 65 LYS H 1 66 MET H 2.800 . 3.800 2.641 2.330 2.981 . 0 0 "[ . 1 . 2]" 1
959 1 38 ASP HA 1 42 PHE H 3.500 . 5.200 3.457 3.299 3.633 . 0 0 "[ . 1 . 2]" 1
960 1 42 PHE H 1 42 PHE HB3 2.800 . 3.800 2.592 2.037 3.441 . 0 0 "[ . 1 . 2]" 1
961 1 39 ILE HA 1 42 PHE H 3.400 . 5.000 4.070 3.819 4.193 . 0 0 "[ . 1 . 2]" 1
962 1 41 LYS HB3 1 42 PHE H 3.000 . 4.200 2.101 2.035 2.156 . 0 0 "[ . 1 . 2]" 1
963 1 40 VAL H 1 40 VAL MG2 2.800 . 3.800 1.888 1.815 1.990 . 0 0 "[ . 1 . 2]" 1
964 1 39 ILE MD 1 40 VAL H 3.500 . 5.200 4.013 3.902 4.095 . 0 0 "[ . 1 . 2]" 1
965 1 20 LEU MD1 1 40 VAL H 3.700 . 5.600 4.252 4.032 4.576 . 0 0 "[ . 1 . 2]" 1
966 1 20 LEU MD2 1 40 VAL H 3.700 . 5.600 3.880 3.732 4.041 . 0 0 "[ . 1 . 2]" 1
967 1 37 GLU HA 1 40 VAL H 3.200 . 4.600 3.606 3.557 3.670 . 0 0 "[ . 1 . 2]" 1
968 1 55 ASN HA 1 57 ASP H 3.600 . 5.400 5.182 5.141 5.237 . 0 0 "[ . 1 . 2]" 1
969 1 57 ASP H 1 57 ASP HA 2.700 . 3.600 2.833 2.816 2.853 . 0 0 "[ . 1 . 2]" 1
970 1 57 ASP H 1 58 GLU HA 3.600 . 5.400 5.407 5.284 5.458 0.058 9 0 "[ . 1 . 2]" 1
971 1 55 ASN HB3 1 57 ASP H 3.300 . 4.800 4.846 4.816 4.859 0.059 16 0 "[ . 1 . 2]" 1
972 1 55 ASN HB2 1 57 ASP H 3.400 . 5.000 3.172 3.146 3.204 . 0 0 "[ . 1 . 2]" 1
973 1 56 ALA HA 1 57 ASP H 3.200 . 4.600 3.636 3.599 3.652 . 0 0 "[ . 1 . 2]" 1
974 1 57 ASP H 1 58 GLU HG2 3.600 . 5.400 4.851 4.567 5.038 . 0 0 "[ . 1 . 2]" 1
975 1 56 ALA MB 1 57 ASP H 2.800 . 3.800 2.279 2.181 2.363 . 0 0 "[ . 1 . 2]" 1
976 1 45 GLU H 1 45 GLU HG2 2.900 . 4.000 4.172 4.130 4.336 0.336 6 0 "[ . 1 . 2]" 1
977 1 42 PHE HA 1 45 GLU H 3.700 . 5.600 3.328 3.116 4.090 . 0 0 "[ . 1 . 2]" 1
978 1 45 GLU H 1 46 ILE H 2.900 . 4.000 2.507 2.431 2.583 . 0 0 "[ . 1 . 2]" 1
979 1 4 LYS H 1 60 THR MG 3.600 . 5.400 3.961 3.803 4.138 . 0 0 "[ . 1 . 2]" 1
980 1 51 ASN H 1 52 GLY H 2.700 . 3.600 2.448 2.381 2.560 . 0 0 "[ . 1 . 2]" 1
981 1 50 GLY HA2 1 51 ASN H 2.800 . 3.800 3.209 3.194 3.224 . 0 0 "[ . 1 . 2]" 1
982 1 51 ASN H 1 52 GLY HA2 3.400 . 5.000 4.769 4.719 4.854 . 0 0 "[ . 1 . 2]" 1
983 1 51 ASN H 1 51 ASN HD21 3.700 . 5.600 4.103 1.783 4.948 0.017 8 0 "[ . 1 . 2]" 1
984 1 51 ASN H 1 53 GLU H 3.100 . 4.400 3.375 3.251 3.482 . 0 0 "[ . 1 . 2]" 1
985 1 49 ASP H 1 51 ASN H 3.000 . 4.200 4.030 3.962 4.086 . 0 0 "[ . 1 . 2]" 1
986 1 47 ASP H 1 54 LEU MD1 3.300 . 4.800 3.233 2.798 3.469 . 0 0 "[ . 1 . 2]" 1
987 1 47 ASP H 1 47 ASP HB2 2.900 . 4.000 2.746 2.307 3.631 . 0 0 "[ . 1 . 2]" 1
988 1 47 ASP H 1 47 ASP HB3 2.900 . 4.000 2.610 2.368 3.601 . 0 0 "[ . 1 . 2]" 1
989 1 52 GLY HA3 1 53 GLU H 3.000 . 4.200 3.466 3.425 3.485 . 0 0 "[ . 1 . 2]" 1
990 1 51 ASN HB2 1 53 GLU H 3.700 . 5.600 4.492 3.917 4.661 . 0 0 "[ . 1 . 2]" 1
991 1 51 ASN HB3 1 53 GLU H 3.700 . 5.600 3.462 3.024 4.702 . 0 0 "[ . 1 . 2]" 1
992 1 51 ASN HA 1 53 GLU H 3.600 . 5.400 4.591 4.462 4.685 . 0 0 "[ . 1 . 2]" 1
993 1 19 SER HA 1 53 GLU H 3.700 . 5.600 4.572 4.479 4.706 . 0 0 "[ . 1 . 2]" 1
994 1 53 GLU H 1 54 LEU HA 3.700 . 5.600 4.886 4.848 4.915 . 0 0 "[ . 1 . 2]" 1
995 1 52 GLY H 1 53 GLU H 2.600 . 3.400 2.429 2.373 2.455 . 0 0 "[ . 1 . 2]" 1
996 1 48 VAL H 1 48 VAL HA 3.000 . 4.200 2.875 2.855 2.894 . 0 0 "[ . 1 . 2]" 1
997 1 47 ASP HB2 1 48 VAL H 3.700 . 5.600 4.631 4.289 4.750 . 0 0 "[ . 1 . 2]" 1
998 1 46 ILE HG13 1 48 VAL H 3.200 . 4.600 4.692 4.654 4.717 0.117 3 0 "[ . 1 . 2]" 1
999 1 48 VAL H 1 58 GLU HG3 3.700 . 5.600 2.367 2.242 2.578 . 0 0 "[ . 1 . 2]" 1
1000 1 48 VAL H 1 48 VAL MG1 2.800 . 3.800 1.756 1.680 1.800 0.120 9 0 "[ . 1 . 2]" 1
1001 1 47 ASP HA 1 48 VAL H 2.800 . 3.800 2.438 2.402 2.507 . 0 0 "[ . 1 . 2]" 1
1002 1 5 ARG HD3 1 6 VAL H 3.700 . 5.600 4.744 3.093 5.704 0.104 4 0 "[ . 1 . 2]" 1
1003 1 39 ILE H 1 39 ILE HG12 3.200 . 4.600 3.395 3.233 3.558 . 0 0 "[ . 1 . 2]" 1
1004 1 39 ILE H 1 39 ILE HG13 3.600 . 5.400 1.875 1.785 2.022 0.015 15 0 "[ . 1 . 2]" 1
1005 1 39 ILE H 1 39 ILE MD 3.400 . 5.000 3.169 3.054 3.331 . 0 0 "[ . 1 . 2]" 1
1006 1 39 ILE H 1 39 ILE MG 3.500 . 5.200 3.767 3.758 3.777 . 0 0 "[ . 1 . 2]" 1
1007 1 20 LEU MD2 1 43 PHE H 3.400 . 5.000 3.636 3.475 3.757 . 0 0 "[ . 1 . 2]" 1
1008 1 40 VAL H 1 40 VAL MG1 2.600 . 3.400 2.079 1.955 2.391 . 0 0 "[ . 1 . 2]" 1
1009 1 45 GLU HG2 1 46 ILE H 3.700 . 5.600 4.743 3.458 5.040 . 0 0 "[ . 1 . 2]" 1
1010 1 45 GLU HB2 1 46 ILE H 3.700 . 5.600 3.643 3.517 3.987 . 0 0 "[ . 1 . 2]" 1
1011 1 46 ILE H 1 46 ILE HB 3.200 . 4.600 2.302 2.285 2.323 . 0 0 "[ . 1 . 2]" 1
1012 1 46 ILE H 1 46 ILE HG13 3.300 . 4.800 4.519 4.489 4.552 . 0 0 "[ . 1 . 2]" 1
1013 1 46 ILE H 1 46 ILE MG 3.500 . 5.200 2.779 2.722 2.837 . 0 0 "[ . 1 . 2]" 1
1014 1 46 ILE H 1 46 ILE MD 3.700 . 5.600 3.499 3.430 3.645 . 0 0 "[ . 1 . 2]" 1
1015 1 45 GLU HA 1 46 ILE H 3.600 . 5.400 3.551 3.521 3.573 . 0 0 "[ . 1 . 2]" 1
1016 1 49 ASP HB3 1 50 GLY H 3.600 . 5.400 3.541 3.470 3.601 . 0 0 "[ . 1 . 2]" 1
1017 1 48 VAL HB 1 50 GLY H 3.700 . 5.600 5.492 5.460 5.516 . 0 0 "[ . 1 . 2]" 1
1018 1 50 GLY H 1 52 GLY H 3.600 . 5.400 3.669 3.600 3.821 . 0 0 "[ . 1 . 2]" 1
1019 1 47 ASP HB2 1 50 GLY H 3.700 . 5.600 4.909 3.529 5.234 . 0 0 "[ . 1 . 2]" 1
1020 1 48 VAL MG1 1 50 GLY H 3.600 . 5.400 4.033 3.972 4.095 . 0 0 "[ . 1 . 2]" 1
1021 1 48 VAL MG2 1 50 GLY H 3.700 . 5.600 4.546 4.502 4.586 . 0 0 "[ . 1 . 2]" 1
1022 1 50 GLY H 1 50 GLY HA2 2.400 . 3.000 2.273 2.264 2.286 . 0 0 "[ . 1 . 2]" 1
1023 1 49 ASP HA 1 50 GLY H 3.000 . 4.200 3.393 3.381 3.406 . 0 0 "[ . 1 . 2]" 1
1024 1 36 GLN HE21 1 36 GLN HG3 3.100 . 4.400 2.361 2.261 2.970 . 0 0 "[ . 1 . 2]" 1
1025 1 36 GLN HE21 1 40 VAL MG1 3.200 . 4.600 1.638 1.493 1.830 0.307 1 0 "[ . 1 . 2]" 1
1026 1 20 LEU MD1 1 36 GLN HE21 3.500 . 5.200 2.593 2.134 3.423 . 0 0 "[ . 1 . 2]" 1
1027 1 36 GLN HE21 1 40 VAL MG2 3.700 . 5.600 3.443 2.981 3.665 . 0 0 "[ . 1 . 2]" 1
1028 1 20 LEU MD1 1 36 GLN HE22 3.700 . 5.600 2.052 1.646 4.028 0.154 3 0 "[ . 1 . 2]" 1
1029 1 55 ASN HA 1 55 ASN HD21 3.700 . 5.600 4.674 4.656 4.700 . 0 0 "[ . 1 . 2]" 1
1030 1 55 ASN HA 1 55 ASN HD22 3.700 . 5.600 5.251 5.233 5.273 . 0 0 "[ . 1 . 2]" 1
1031 1 55 ASN HD21 1 56 ALA H 3.600 . 5.400 4.409 4.371 4.467 . 0 0 "[ . 1 . 2]" 1
1032 1 55 ASN HD21 1 57 ASP H 3.700 . 5.600 3.956 3.847 4.058 . 0 0 "[ . 1 . 2]" 1
1033 1 55 ASN HD22 1 57 ASP H 3.700 . 5.600 5.489 5.418 5.609 0.009 17 0 "[ . 1 . 2]" 1
1034 1 55 ASN HB3 1 55 ASN HD21 3.300 . 4.800 3.189 3.088 3.237 . 0 0 "[ . 1 . 2]" 1
1035 1 55 ASN HB2 1 55 ASN HD22 3.000 . 4.200 3.498 3.485 3.502 . 0 0 "[ . 1 . 2]" 1
1036 1 55 ASN HB2 1 55 ASN HD21 3.100 . 4.400 2.247 2.236 2.258 . 0 0 "[ . 1 . 2]" 1
1037 1 55 ASN HD21 1 58 GLU HG3 3.500 . 5.200 3.174 3.082 3.445 . 0 0 "[ . 1 . 2]" 1
1038 1 55 ASN HD21 1 57 ASP HB3 3.400 . 5.000 3.433 3.295 3.584 . 0 0 "[ . 1 . 2]" 1
1039 1 55 ASN HD21 1 58 GLU HB3 3.700 . 5.600 4.551 4.293 5.006 . 0 0 "[ . 1 . 2]" 1
1040 1 55 ASN HD22 1 58 GLU HB3 3.700 . 5.600 3.821 3.591 4.273 . 0 0 "[ . 1 . 2]" 1
1041 1 55 ASN HD22 1 58 GLU HG3 3.600 . 5.400 1.877 1.781 2.238 0.019 16 0 "[ . 1 . 2]" 1
1042 1 55 ASN HD22 1 57 ASP HB3 3.600 . 5.400 4.651 4.537 4.769 . 0 0 "[ . 1 . 2]" 1
1043 1 13 ASN HB3 1 13 ASN HD22 3.000 . 4.100 3.817 3.512 4.104 0.004 18 0 "[ . 1 . 2]" 1
1044 1 13 ASN HD22 1 15 ASP HB3 3.700 . 5.600 3.997 2.907 5.160 . 0 0 "[ . 1 . 2]" 1
1045 1 13 ASN HB2 1 13 ASN HD22 3.000 . 4.200 3.804 3.521 3.961 . 0 0 "[ . 1 . 2]" 1
1046 1 13 ASN HD22 1 15 ASP HB2 3.400 . 5.000 3.487 2.605 4.340 . 0 0 "[ . 1 . 2]" 1
1047 1 13 ASN HB3 1 13 ASN HD21 2.800 . 3.800 2.965 2.249 3.584 . 0 0 "[ . 1 . 2]" 1
1048 1 13 ASN HB2 1 13 ASN HD21 2.900 . 4.000 2.951 2.271 3.290 . 0 0 "[ . 1 . 2]" 1
1049 1 13 ASN HD21 1 15 ASP HB3 3.700 . 5.600 4.213 2.982 5.429 . 0 0 "[ . 1 . 2]" 1
1050 1 13 ASN HD21 1 15 ASP HB2 3.600 . 5.400 3.379 1.852 4.545 . 0 0 "[ . 1 . 2]" 1
1051 1 51 ASN HA 1 51 ASN HD21 3.500 . 5.200 4.128 3.315 4.530 . 0 0 "[ . 1 . 2]" 1
1052 1 51 ASN HA 1 51 ASN HD22 3.300 . 4.800 4.614 4.072 4.758 . 0 0 "[ . 1 . 2]" 1
1053 1 51 ASN HB3 1 51 ASN HD21 3.000 . 4.200 2.619 2.244 3.402 . 0 0 "[ . 1 . 2]" 1
1054 1 51 ASN HB3 1 51 ASN HD22 2.900 . 4.000 3.665 3.509 4.013 0.013 1 0 "[ . 1 . 2]" 1
1055 1 51 ASN HB2 1 51 ASN HD21 3.100 . 4.400 3.123 2.824 3.584 . 0 0 "[ . 1 . 2]" 1
1056 1 51 ASN HB2 1 51 ASN HD22 2.900 . 4.000 3.882 3.747 4.090 0.090 17 0 "[ . 1 . 2]" 1
1057 1 51 ASN HD21 1 53 GLU HG3 3.400 . 5.000 2.899 1.767 3.535 0.033 17 0 "[ . 1 . 2]" 1
1058 1 51 ASN HD21 1 53 GLU HG2 3.400 . 5.000 4.244 2.794 4.977 . 0 0 "[ . 1 . 2]" 1
1059 1 51 ASN HD21 1 53 GLU HB2 3.600 . 5.400 3.778 3.244 4.204 . 0 0 "[ . 1 . 2]" 1
1060 1 51 ASN HD22 1 53 GLU HB2 3.600 . 5.400 4.404 2.706 5.228 . 0 0 "[ . 1 . 2]" 1
1061 1 51 ASN HD22 1 53 GLU HG2 3.500 . 5.200 4.518 3.770 5.056 . 0 0 "[ . 1 . 2]" 1
1062 1 51 ASN HD22 1 53 GLU HG3 3.500 . 5.200 3.452 2.866 3.968 . 0 0 "[ . 1 . 2]" 1
1063 1 36 GLN HA 1 36 GLN HE21 3.700 . 5.600 3.335 1.917 4.329 . 0 0 "[ . 1 . 2]" 1
1064 1 24 ARG HD3 1 36 GLN HE22 3.700 . 5.600 2.516 1.779 5.487 0.021 9 0 "[ . 1 . 2]" 1
1065 1 36 GLN HE22 1 36 GLN HG3 3.500 . 5.200 3.548 3.509 3.797 . 0 0 "[ . 1 . 2]" 1
1066 1 36 GLN HB3 1 36 GLN HE21 3.700 . 5.600 4.384 3.782 4.614 . 0 0 "[ . 1 . 2]" 1
1067 1 36 GLN HB3 1 36 GLN HE22 3.700 . 5.600 5.194 4.389 5.345 . 0 0 "[ . 1 . 2]" 1
1068 1 36 GLN HB2 1 36 GLN HE21 3.700 . 5.600 4.415 3.759 4.748 . 0 0 "[ . 1 . 2]" 1
1069 1 36 GLN HE22 1 40 VAL MG1 3.600 . 5.400 2.467 2.191 2.645 . 0 0 "[ . 1 . 2]" 1
1070 1 36 GLN HE22 1 40 VAL MG2 3.700 . 5.600 4.499 2.512 4.651 . 0 0 "[ . 1 . 2]" 1
1071 1 20 LEU MD2 1 36 GLN HE21 3.700 . 5.600 4.227 3.855 4.777 . 0 0 "[ . 1 . 2]" 1
1072 1 20 LEU HG 1 36 GLN HE21 3.700 . 5.600 4.345 3.749 5.108 . 0 0 "[ . 1 . 2]" 1
1073 1 51 ASN H 1 52 GLY HA3 3.400 . 5.000 5.119 5.088 5.166 0.166 15 0 "[ . 1 . 2]" 1
1074 1 48 VAL H 1 58 GLU HB3 3.400 . 5.000 4.015 3.946 4.109 . 0 0 "[ . 1 . 2]" 1
1075 1 3 ALA H 1 3 ALA MB 3.200 . 4.600 2.256 2.215 2.290 . 0 0 "[ . 1 . 2]" 1
1076 1 2 SER HB2 1 3 ALA H 3.700 . 5.600 4.092 3.906 4.334 . 0 0 "[ . 1 . 2]" 1
1077 1 3 ALA H 1 4 LYS H 3.700 . 5.600 2.459 2.407 2.512 . 0 0 "[ . 1 . 2]" 1
1078 1 3 ALA MB 1 62 CYS H 3.700 . 5.600 4.567 4.435 4.743 . 0 0 "[ . 1 . 2]" 1
1079 1 31 SER HA 1 33 TYR H 3.700 . 5.600 3.302 3.242 3.396 . 0 0 "[ . 1 . 2]" 1
1080 1 24 ARG HD3 1 24 ARG HE 3.000 . 4.200 2.784 2.759 2.857 . 0 0 "[ . 1 . 2]" 1
1081 1 24 ARG HE 1 24 ARG HG3 3.700 . 5.600 3.481 2.348 3.834 . 0 0 "[ . 1 . 2]" 1
1082 1 24 ARG HB3 1 24 ARG HE 3.700 . 5.600 3.195 1.795 5.384 0.005 1 0 "[ . 1 . 2]" 1
1083 1 24 ARG HE 1 24 ARG HG2 3.600 . 5.400 2.835 2.400 3.648 . 0 0 "[ . 1 . 2]" 1
1084 1 24 ARG HE 1 28 LEU MD2 3.600 . 5.400 2.966 1.873 4.361 . 0 0 "[ . 1 . 2]" 1
1085 1 54 LEU MD1 1 55 ASN H 3.400 . 5.000 3.553 3.476 3.676 . 0 0 "[ . 1 . 2]" 1
1086 1 48 VAL H 1 54 LEU MD1 3.700 . 5.600 4.705 4.401 4.854 . 0 0 "[ . 1 . 2]" 1
1087 1 18 LEU HB3 1 23 PHE H 3.700 . 5.600 3.306 3.224 3.366 . 0 0 "[ . 1 . 2]" 1
1088 1 40 VAL HA 1 43 PHE H 3.100 . 4.400 3.260 3.175 3.351 . 0 0 "[ . 1 . 2]" 1
1089 1 21 ASP HA 1 24 ARG H 3.600 . 5.400 3.426 3.137 3.554 . 0 0 "[ . 1 . 2]" 1
1090 1 42 PHE HA 1 43 PHE H 3.700 . 5.600 3.622 3.559 3.647 . 0 0 "[ . 1 . 2]" 1
1091 1 16 GLY H 1 17 LYS HD2 3.700 . 5.600 5.181 5.036 5.311 . 0 0 "[ . 1 . 2]" 1
1092 1 16 GLY H 1 17 LYS HD3 3.700 . 5.600 3.753 3.641 3.849 . 0 0 "[ . 1 . 2]" 1
1093 1 16 GLY H 1 17 LYS HG3 3.700 . 5.600 5.127 5.075 5.241 . 0 0 "[ . 1 . 2]" 1
1094 1 15 ASP HB3 1 16 GLY H 3.700 . 5.600 3.260 2.880 3.760 . 0 0 "[ . 1 . 2]" 1
1095 1 11 ASP HB3 1 16 GLY H 3.700 . 5.600 4.642 4.342 5.059 . 0 0 "[ . 1 . 2]" 1
1096 1 16 GLY H 1 16 GLY HA3 2.700 . 3.600 2.965 2.960 2.970 . 0 0 "[ . 1 . 2]" 1
1097 1 14 LYS HA 1 16 GLY H 3.100 . 4.400 3.858 3.832 3.903 . 0 0 "[ . 1 . 2]" 1
1098 1 16 GLY H 1 17 LYS HA 3.700 . 5.600 4.524 4.499 4.556 . 0 0 "[ . 1 . 2]" 1
1099 1 17 LYS H 1 59 PHE QE 3.300 . 4.800 3.588 3.363 4.430 . 0 0 "[ . 1 . 2]" 1
1100 1 17 LYS H 1 18 LEU H 3.500 . 5.200 4.230 4.178 4.246 . 0 0 "[ . 1 . 2]" 1
1101 1 17 LYS H 1 18 LEU HA 3.700 . 5.600 4.640 4.546 4.707 . 0 0 "[ . 1 . 2]" 1
1102 1 15 ASP HA 1 17 LYS H 3.500 . 5.200 4.422 4.328 4.498 . 0 0 "[ . 1 . 2]" 1
1103 1 16 GLY HA3 1 17 LYS H 2.900 . 4.000 3.332 3.311 3.359 . 0 0 "[ . 1 . 2]" 1
1104 1 17 LYS H 1 55 ASN HA 3.600 . 5.400 5.464 5.427 5.518 0.118 15 0 "[ . 1 . 2]" 1
1105 1 14 LYS HA 1 17 LYS H 3.600 . 5.400 5.464 5.435 5.510 0.110 18 0 "[ . 1 . 2]" 1
1106 1 15 ASP HB3 1 17 LYS H 3.700 . 5.600 2.771 2.326 3.429 . 0 0 "[ . 1 . 2]" 1
1107 1 17 LYS H 1 17 LYS HE3 3.500 . 5.200 4.694 4.623 4.798 . 0 0 "[ . 1 . 2]" 1
1108 1 15 ASP HB2 1 17 LYS H 3.700 . 5.600 3.510 2.754 4.142 . 0 0 "[ . 1 . 2]" 1
1109 1 17 LYS H 1 18 LEU MD1 3.600 . 5.400 3.519 3.363 3.572 . 0 0 "[ . 1 . 2]" 1
1110 1 17 LYS H 1 17 LYS HG3 2.900 . 4.000 3.721 3.693 3.808 . 0 0 "[ . 1 . 2]" 1
1111 1 17 LYS H 1 53 GLU HB3 3.700 . 5.600 5.690 5.655 5.745 0.145 15 0 "[ . 1 . 2]" 1
1112 1 14 LYS HB3 1 15 ASP H 3.100 . 4.400 4.416 4.321 4.447 0.047 12 0 "[ . 1 . 2]" 1
1113 1 15 ASP H 1 15 ASP HB3 3.000 . 4.200 3.152 2.724 3.660 . 0 0 "[ . 1 . 2]" 1
1114 1 15 ASP H 1 16 GLY HA3 3.200 . 4.600 4.889 4.874 4.913 0.313 17 0 "[ . 1 . 2]" 1
1115 1 15 ASP H 1 16 GLY HA2 3.400 . 5.000 4.541 4.508 4.585 . 0 0 "[ . 1 . 2]" 1
1116 1 15 ASP H 1 15 ASP HA 2.700 . 3.600 2.985 2.974 2.991 . 0 0 "[ . 1 . 2]" 1
1117 1 14 LYS H 1 15 ASP H 2.800 . 3.800 3.053 3.028 3.085 . 0 0 "[ . 1 . 2]" 1
1118 1 18 LEU H 1 55 ASN HA 3.400 . 5.000 4.143 3.941 4.221 . 0 0 "[ . 1 . 2]" 1
1119 1 17 LYS HG3 1 18 LEU H 3.500 . 5.200 4.252 4.143 4.297 . 0 0 "[ . 1 . 2]" 1
1120 1 20 LEU H 1 23 PHE HB3 3.700 . 5.600 4.973 4.895 5.058 . 0 0 "[ . 1 . 2]" 1
1121 1 20 LEU H 1 21 ASP HB2 3.700 . 5.600 4.882 4.499 5.141 . 0 0 "[ . 1 . 2]" 1
1122 1 54 LEU H 1 54 LEU MD2 3.300 . 4.800 1.786 1.734 1.887 0.066 9 0 "[ . 1 . 2]" 1
1123 1 18 LEU H 1 54 LEU H 3.000 . 4.200 2.471 2.401 2.639 . 0 0 "[ . 1 . 2]" 1
1124 1 18 LEU MD2 1 54 LEU H 3.700 . 5.600 4.760 4.694 4.833 . 0 0 "[ . 1 . 2]" 1
1125 1 54 LEU H 1 54 LEU HB3 3.200 . 4.600 3.535 3.522 3.545 . 0 0 "[ . 1 . 2]" 1
1126 1 53 GLU HB2 1 54 LEU H 3.200 . 4.600 3.338 3.285 3.379 . 0 0 "[ . 1 . 2]" 1
1127 1 19 SER HA 1 54 LEU H 3.400 . 5.000 3.307 3.204 3.365 . 0 0 "[ . 1 . 2]" 1
1128 1 18 LEU HA 1 54 LEU H 3.700 . 5.600 3.976 3.898 4.035 . 0 0 "[ . 1 . 2]" 1
1129 1 17 LYS HA 1 54 LEU H 3.700 . 5.600 4.394 4.302 4.632 . 0 0 "[ . 1 . 2]" 1
1130 1 55 ASN H 1 58 GLU HB3 3.100 . 4.400 3.511 3.134 3.926 . 0 0 "[ . 1 . 2]" 1
1131 1 54 LEU HB2 1 55 ASN H 3.600 . 5.400 4.210 4.056 4.299 . 0 0 "[ . 1 . 2]" 1
1132 1 54 LEU HG 1 55 ASN H 3.700 . 5.600 5.106 4.912 5.210 . 0 0 "[ . 1 . 2]" 1
1133 1 54 LEU MD2 1 55 ASN H 3.700 . 5.600 4.989 4.971 5.017 . 0 0 "[ . 1 . 2]" 1
1134 1 55 ASN H 1 58 GLU HB2 3.100 . 4.400 2.360 1.973 2.618 . 0 0 "[ . 1 . 2]" 1
1135 1 55 ASN H 1 58 GLU HG3 3.400 . 5.000 3.843 3.183 4.268 . 0 0 "[ . 1 . 2]" 1
1136 1 55 ASN H 1 58 GLU HA 3.700 . 5.600 5.345 4.988 5.619 0.019 9 0 "[ . 1 . 2]" 1
1137 1 57 ASP HA 1 58 GLU H 3.200 . 4.600 3.542 3.457 3.587 . 0 0 "[ . 1 . 2]" 1
1138 1 55 ASN HD21 1 58 GLU H 3.700 . 5.600 2.836 2.579 3.464 . 0 0 "[ . 1 . 2]" 1
1139 1 55 ASN HD22 1 58 GLU H 3.700 . 5.600 3.688 3.482 4.128 . 0 0 "[ . 1 . 2]" 1
1140 1 55 ASN H 1 55 ASN HD21 3.700 . 5.600 3.878 3.788 4.013 . 0 0 "[ . 1 . 2]" 1
1141 1 55 ASN H 1 55 ASN HD22 3.700 . 5.600 3.545 3.495 3.667 . 0 0 "[ . 1 . 2]" 1
1142 1 18 LEU H 1 55 ASN H 3.700 . 5.600 4.761 4.677 4.807 . 0 0 "[ . 1 . 2]" 1
1143 1 54 LEU H 1 55 ASN H 3.700 . 5.600 4.462 4.391 4.571 . 0 0 "[ . 1 . 2]" 1
1144 1 53 GLU H 1 54 LEU H 3.600 . 5.400 4.452 4.437 4.462 . 0 0 "[ . 1 . 2]" 1
1145 1 20 LEU H 1 43 PHE QE 3.300 . 4.800 2.539 2.483 2.598 . 0 0 "[ . 1 . 2]" 1
1146 1 20 LEU H 1 43 PHE QD 3.700 . 5.600 4.023 3.967 4.059 . 0 0 "[ . 1 . 2]" 1
1147 1 43 PHE QE 1 53 GLU H 3.300 . 4.800 4.326 4.220 4.462 . 0 0 "[ . 1 . 2]" 1
1148 1 43 PHE QD 1 44 GLU H 3.300 . 4.800 2.672 2.616 2.716 . 0 0 "[ . 1 . 2]" 1
1149 1 44 GLU H 1 46 ILE H 3.700 . 5.600 4.036 3.968 4.102 . 0 0 "[ . 1 . 2]" 1
1150 1 43 PHE QE 1 44 GLU H 3.700 . 5.600 4.989 4.936 5.023 . 0 0 "[ . 1 . 2]" 1
1151 1 42 PHE H 1 44 GLU H 3.700 . 5.600 4.329 4.245 4.554 . 0 0 "[ . 1 . 2]" 1
1152 1 41 LYS HA 1 44 GLU H 3.300 . 4.800 3.987 3.871 4.114 . 0 0 "[ . 1 . 2]" 1
1153 1 43 PHE HB3 1 44 GLU H 3.100 . 4.400 2.293 2.266 2.324 . 0 0 "[ . 1 . 2]" 1
1154 1 27 ALA HA 1 30 PHE H 3.700 . 5.600 4.098 3.835 4.219 . 0 0 "[ . 1 . 2]" 1
1155 1 37 GLU HB3 1 38 ASP H 2.900 . 4.000 3.217 2.641 3.851 . 0 0 "[ . 1 . 2]" 1
1156 1 37 GLU HB2 1 38 ASP H 3.100 . 4.400 3.246 2.679 3.990 . 0 0 "[ . 1 . 2]" 1
1157 1 35 THR MG 1 38 ASP H 3.700 . 5.600 4.017 1.676 4.304 0.124 19 0 "[ . 1 . 2]" 1
1158 1 36 GLN HA 1 38 ASP H 3.400 . 5.000 4.351 4.261 4.456 . 0 0 "[ . 1 . 2]" 1
1159 1 35 THR HA 1 38 ASP H 3.700 . 5.600 4.408 4.298 4.638 . 0 0 "[ . 1 . 2]" 1
1160 1 35 THR HB 1 38 ASP H 3.400 . 5.000 2.580 2.335 4.314 . 0 0 "[ . 1 . 2]" 1
1161 1 34 PHE HA 1 38 ASP H 3.700 . 5.600 5.571 5.384 5.648 0.048 6 0 "[ . 1 . 2]" 1
1162 1 55 ASN HA 1 58 GLU H 3.500 . 5.200 5.006 4.767 5.179 . 0 0 "[ . 1 . 2]" 1
1163 1 17 LYS HA 1 56 ALA H 3.600 . 5.400 4.643 4.369 4.763 . 0 0 "[ . 1 . 2]" 1
1164 1 56 ALA H 1 57 ASP HA 3.700 . 5.600 5.569 5.528 5.617 0.017 20 0 "[ . 1 . 2]" 1
1165 1 55 ASN HD22 1 56 ALA H 3.700 . 5.600 5.680 5.661 5.710 0.110 20 0 "[ . 1 . 2]" 1
1166 1 56 ALA H 1 56 ALA MB 2.600 . 3.400 2.200 2.170 2.222 . 0 0 "[ . 1 . 2]" 1
1167 1 56 ALA H 1 57 ASP HB3 3.700 . 5.600 5.302 5.162 5.462 . 0 0 "[ . 1 . 2]" 1
1168 1 36 GLN H 1 38 ASP H 3.700 . 5.600 4.287 4.172 4.472 . 0 0 "[ . 1 . 2]" 1
1169 1 48 VAL HA 1 49 ASP H 3.000 . 4.200 3.482 3.467 3.508 . 0 0 "[ . 1 . 2]" 1
1170 1 48 VAL HB 1 49 ASP H 2.800 . 3.800 4.000 3.971 4.029 0.229 9 0 "[ . 1 . 2]" 1
1171 1 48 VAL MG1 1 49 ASP H 2.800 . 3.800 2.018 1.966 2.138 . 0 0 "[ . 1 . 2]" 1
1172 1 48 VAL MG2 1 49 ASP H 3.100 . 4.400 3.543 3.517 3.559 . 0 0 "[ . 1 . 2]" 1
1173 1 49 ASP H 1 58 GLU HG2 3.500 . 5.200 5.224 5.175 5.257 0.057 17 0 "[ . 1 . 2]" 1
1174 1 49 ASP H 1 49 ASP HA 2.700 . 3.600 2.899 2.894 2.905 . 0 0 "[ . 1 . 2]" 1
1175 1 22 GLU H 1 22 GLU HB2 2.900 . 4.000 2.292 2.072 2.628 . 0 0 "[ . 1 . 2]" 1
1176 1 11 ASP HB2 1 16 GLY H 3.600 . 5.400 3.957 3.349 4.597 . 0 0 "[ . 1 . 2]" 1
1177 1 34 PHE HB2 1 35 THR H 3.700 . 5.600 4.480 4.404 4.612 . 0 0 "[ . 1 . 2]" 1
1178 1 34 PHE HB3 1 35 THR H 3.700 . 5.600 3.562 3.431 3.785 . 0 0 "[ . 1 . 2]" 1
1179 1 18 LEU HB2 1 22 GLU H 3.700 . 5.600 5.772 5.720 5.850 0.250 18 0 "[ . 1 . 2]" 1
1180 1 20 LEU HA 1 22 GLU H 3.700 . 5.600 4.361 4.315 4.464 . 0 0 "[ . 1 . 2]" 1
1181 1 40 VAL MG2 1 41 LYS H 3.100 . 4.400 1.838 1.717 2.048 0.083 19 0 "[ . 1 . 2]" 1
1182 1 40 VAL MG1 1 41 LYS H 3.200 . 4.600 3.863 3.799 3.938 . 0 0 "[ . 1 . 2]" 1
1183 1 41 LYS H 1 41 LYS HG3 3.600 . 5.400 4.471 4.411 4.636 . 0 0 "[ . 1 . 2]" 1
1184 1 41 LYS H 1 41 LYS HG2 3.400 . 5.000 4.517 4.382 4.693 . 0 0 "[ . 1 . 2]" 1
1185 1 41 LYS H 1 42 PHE HB3 3.700 . 5.600 4.854 4.286 5.663 0.063 11 0 "[ . 1 . 2]" 1
1186 1 37 GLU HA 1 41 LYS H 3.500 . 5.200 3.422 3.240 3.706 . 0 0 "[ . 1 . 2]" 1
1187 1 65 LYS H 1 65 LYS HG3 3.000 . 4.100 4.247 4.161 4.348 0.248 8 0 "[ . 1 . 2]" 1
1188 1 63 ILE MG 1 65 LYS H 3.700 . 5.600 4.483 4.176 4.642 . 0 0 "[ . 1 . 2]" 1
1189 1 49 ASP H 1 50 GLY HA2 3.100 . 4.400 4.724 4.711 4.739 0.339 17 0 "[ . 1 . 2]" 1
1190 1 49 ASP H 1 58 GLU HG3 3.700 . 5.600 4.037 3.921 4.364 . 0 0 "[ . 1 . 2]" 1
1191 1 28 LEU MD2 1 29 ALA H 3.700 . 5.600 4.614 4.586 4.639 . 0 0 "[ . 1 . 2]" 1
1192 1 28 LEU H 1 28 LEU MD1 3.300 . 4.800 2.060 1.874 2.274 . 0 0 "[ . 1 . 2]" 1
1193 1 28 LEU H 1 28 LEU MD2 3.500 . 5.200 3.363 3.289 3.439 . 0 0 "[ . 1 . 2]" 1
1194 1 28 LEU H 1 28 LEU HB2 3.400 . 5.000 2.282 2.233 2.318 . 0 0 "[ . 1 . 2]" 1
1195 1 28 LEU H 1 28 LEU HB3 3.200 . 4.600 3.580 3.548 3.597 . 0 0 "[ . 1 . 2]" 1
1196 1 28 LEU H 1 28 LEU HG 3.200 . 4.600 4.185 4.060 4.318 . 0 0 "[ . 1 . 2]" 1
1197 1 27 ALA HA 1 28 LEU H 3.700 . 5.600 3.490 3.429 3.531 . 0 0 "[ . 1 . 2]" 1
1198 1 25 GLU HA 1 28 LEU H 3.600 . 5.400 3.482 3.306 3.667 . 0 0 "[ . 1 . 2]" 1
1199 1 61 SER H 1 61 SER HB3 3.300 . 4.800 2.730 2.542 2.825 . 0 0 "[ . 1 . 2]" 1
1200 1 14 LYS H 1 16 GLY H 3.300 . 4.800 4.942 4.911 4.995 0.195 18 0 "[ . 1 . 2]" 1
1201 1 13 ASN HB2 1 14 LYS H 3.300 . 4.800 4.322 4.208 4.480 . 0 0 "[ . 1 . 2]" 1
1202 1 14 LYS H 1 14 LYS HE2 3.700 . 5.600 4.955 4.421 5.566 . 0 0 "[ . 1 . 2]" 1
1203 1 14 LYS H 1 14 LYS HA 2.400 . 3.000 2.442 2.427 2.450 . 0 0 "[ . 1 . 2]" 1
1204 1 13 ASN HB3 1 14 LYS H 3.400 . 5.000 4.423 3.762 4.584 . 0 0 "[ . 1 . 2]" 1
1205 1 11 ASP HA 1 14 LYS H 3.600 . 5.400 3.782 3.673 3.948 . 0 0 "[ . 1 . 2]" 1
1206 1 41 LYS H 1 42 PHE HA 3.700 . 5.600 5.320 5.212 5.349 . 0 0 "[ . 1 . 2]" 1
1207 1 41 LYS H 1 43 PHE H 3.700 . 5.600 4.076 4.026 4.152 . 0 0 "[ . 1 . 2]" 1
1208 1 43 PHE HA 1 46 ILE H 3.700 . 5.600 2.982 2.901 3.234 . 0 0 "[ . 1 . 2]" 1
1209 1 28 LEU HB3 1 29 ALA H 3.400 . 5.000 3.608 3.569 3.640 . 0 0 "[ . 1 . 2]" 1
1210 1 26 VAL HA 1 29 ALA H 3.700 . 5.600 3.806 3.498 4.026 . 0 0 "[ . 1 . 2]" 1
1211 1 2 SER HA 1 4 LYS H 3.700 . 5.600 3.685 3.589 3.871 . 0 0 "[ . 1 . 2]" 1
1212 1 18 LEU HG 1 19 SER H 3.700 . 5.600 2.820 2.693 2.881 . 0 0 "[ . 1 . 2]" 1
1213 1 18 LEU H 1 53 GLU HA 3.500 . 5.200 4.291 4.203 4.448 . 0 0 "[ . 1 . 2]" 1
1214 1 18 LEU H 1 53 GLU HB3 3.700 . 5.600 3.360 3.263 3.466 . 0 0 "[ . 1 . 2]" 1
1215 1 40 VAL MG1 1 43 PHE H 3.700 . 5.600 4.808 4.709 4.858 . 0 0 "[ . 1 . 2]" 1
1216 1 43 PHE QE 1 54 LEU H 3.200 . 4.600 2.996 2.951 3.050 . 0 0 "[ . 1 . 2]" 1
1217 1 43 PHE QD 1 54 LEU H 3.700 . 5.600 4.826 4.744 4.869 . 0 0 "[ . 1 . 2]" 1
1218 1 19 SER HA 1 23 PHE H 3.700 . 5.600 5.044 5.012 5.077 . 0 0 "[ . 1 . 2]" 1
1219 1 23 PHE H 1 26 VAL MG1 3.700 . 5.600 4.915 4.862 4.958 . 0 0 "[ . 1 . 2]" 1
1220 1 23 PHE H 1 26 VAL MG2 3.700 . 5.600 4.162 3.952 4.265 . 0 0 "[ . 1 . 2]" 1
1221 1 40 VAL MG2 1 44 GLU H 3.600 . 5.400 4.642 4.587 4.680 . 0 0 "[ . 1 . 2]" 1
1222 1 20 LEU MD2 1 44 GLU H 3.700 . 5.600 4.235 4.084 4.321 . 0 0 "[ . 1 . 2]" 1
1223 1 27 ALA H 1 29 ALA H 3.600 . 5.400 3.812 3.778 3.858 . 0 0 "[ . 1 . 2]" 1
1224 1 18 LEU HG 1 54 LEU H 3.700 . 5.600 5.239 5.163 5.263 . 0 0 "[ . 1 . 2]" 1
1225 1 18 LEU H 1 54 LEU HA 3.700 . 5.600 4.177 4.081 4.254 . 0 0 "[ . 1 . 2]" 1
1226 1 17 LYS HE3 1 18 LEU H 3.700 . 5.600 5.684 5.662 5.707 0.107 4 0 "[ . 1 . 2]" 1
1227 1 17 LYS HG3 1 56 ALA H 3.700 . 5.600 3.621 3.391 3.702 . 0 0 "[ . 1 . 2]" 1
1228 1 59 PHE H 1 62 CYS H 3.600 . 5.400 4.448 4.334 4.836 . 0 0 "[ . 1 . 2]" 1
1229 1 13 ASN H 1 16 GLY H 3.700 . 5.600 5.165 5.085 5.263 . 0 0 "[ . 1 . 2]" 1
1230 1 12 LYS HB3 1 13 ASN H 2.600 . 3.400 3.550 3.468 3.682 0.282 16 0 "[ . 1 . 2]" 1
1231 1 13 ASN H 1 14 LYS HG3 3.300 . 4.800 4.391 4.119 4.817 0.017 5 0 "[ . 1 . 2]" 1
1232 1 12 LYS HE3 1 13 ASN H 3.700 . 5.600 5.400 5.199 5.687 0.087 16 0 "[ . 1 . 2]" 1
1233 1 12 LYS HA 1 13 ASN H 2.800 . 3.800 3.330 3.315 3.348 . 0 0 "[ . 1 . 2]" 1
1234 1 11 ASP HA 1 13 ASN H 3.200 . 4.600 2.939 2.901 3.009 . 0 0 "[ . 1 . 2]" 1
1235 1 13 ASN H 1 13 ASN HD22 3.500 . 5.200 3.812 2.663 5.582 0.382 13 0 "[ . 1 . 2]" 1
1236 1 13 ASN H 1 14 LYS H 2.500 . 3.200 2.154 2.110 2.248 . 0 0 "[ . 1 . 2]" 1
1237 1 13 ASN H 1 15 ASP H 3.300 . 4.800 3.588 3.539 3.644 . 0 0 "[ . 1 . 2]" 1
1238 1 13 ASN H 1 13 ASN HD21 3.100 . 4.400 3.515 1.836 4.413 0.013 1 0 "[ . 1 . 2]" 1
1239 1 7 PHE QD 1 18 LEU H 3.700 . 5.600 5.342 4.300 5.611 0.011 18 0 "[ . 1 . 2]" 1
1240 1 7 PHE QE 1 17 LYS H 3.400 . 5.000 3.391 3.134 3.467 . 0 0 "[ . 1 . 2]" 1
1241 1 7 PHE H 1 7 PHE HB3 3.000 . 4.200 2.417 2.373 2.495 . 0 0 "[ . 1 . 2]" 1
1242 1 5 ARG HB3 1 7 PHE H 3.700 . 5.600 4.629 4.375 4.757 . 0 0 "[ . 1 . 2]" 1
1243 1 6 VAL MG1 1 7 PHE H 3.200 . 4.600 2.106 1.859 2.521 . 0 0 "[ . 1 . 2]" 1
1244 1 5 ARG HA 1 7 PHE H 3.700 . 5.600 4.375 3.917 4.523 . 0 0 "[ . 1 . 2]" 1
1245 1 7 PHE H 1 7 PHE QD 3.400 . 5.000 4.233 4.158 4.251 . 0 0 "[ . 1 . 2]" 1
1246 1 11 ASP H 1 12 LYS H 3.000 . 4.200 3.900 3.850 3.958 . 0 0 "[ . 1 . 2]" 1
1247 1 9 LYS H 1 11 ASP H 3.500 . 5.200 3.935 3.791 4.067 . 0 0 "[ . 1 . 2]" 1
1248 1 11 ASP H 1 11 ASP HB3 2.800 . 3.800 2.592 2.312 2.921 . 0 0 "[ . 1 . 2]" 1
1249 1 9 LYS HB3 1 11 ASP H 3.500 . 5.200 5.111 4.879 5.378 0.178 20 0 "[ . 1 . 2]" 1
1250 1 9 LYS HD3 1 11 ASP H 3.700 . 5.600 5.655 5.607 5.767 0.167 2 0 "[ . 1 . 2]" 1
1251 1 8 GLU HA 1 11 ASP H 3.100 . 4.400 3.151 2.921 3.440 . 0 0 "[ . 1 . 2]" 1
1252 1 9 LYS HA 1 11 ASP H 3.500 . 5.200 4.296 4.073 4.435 . 0 0 "[ . 1 . 2]" 1
1253 1 7 PHE HA 1 11 ASP H 3.600 . 5.400 3.907 3.581 4.389 . 0 0 "[ . 1 . 2]" 1
1254 1 30 PHE HB2 1 31 SER H 3.700 . 5.600 3.311 2.604 3.945 . 0 0 "[ . 1 . 2]" 1
1255 1 31 SER H 1 32 PRO HD2 3.700 . 5.600 4.010 3.803 4.473 . 0 0 "[ . 1 . 2]" 1
1256 1 28 LEU HG 1 29 ALA H 3.700 . 5.600 5.303 5.272 5.328 . 0 0 "[ . 1 . 2]" 1
1257 1 25 GLU HA 1 29 ALA H 3.700 . 5.600 3.672 3.486 3.862 . 0 0 "[ . 1 . 2]" 1
1258 1 47 ASP H 1 48 VAL H 3.700 . 5.600 3.966 3.829 4.028 . 0 0 "[ . 1 . 2]" 1
1259 1 10 PHE H 1 18 LEU MD2 3.600 . 5.400 4.333 4.129 4.407 . 0 0 "[ . 1 . 2]" 1
1260 1 9 LYS HB3 1 10 PHE H 3.100 . 4.400 3.103 2.726 3.741 . 0 0 "[ . 1 . 2]" 1
1261 1 25 GLU H 1 26 VAL MG2 3.700 . 5.600 4.219 4.140 4.342 . 0 0 "[ . 1 . 2]" 1
1262 1 25 GLU H 1 28 LEU MD2 3.700 . 5.600 4.300 4.102 4.452 . 0 0 "[ . 1 . 2]" 1
1263 1 25 GLU H 1 25 GLU HG3 3.100 . 4.400 3.985 2.654 4.505 0.105 13 0 "[ . 1 . 2]" 1
1264 1 12 LYS H 1 12 LYS HG2 2.900 . 4.000 3.398 3.050 3.535 . 0 0 "[ . 1 . 2]" 1
1265 1 10 PHE HB2 1 12 LYS H 3.100 . 4.400 4.618 4.553 4.696 0.296 19 0 "[ . 1 . 2]" 1
1266 1 11 ASP HA 1 12 LYS H 2.500 . 3.200 2.262 2.205 2.329 . 0 0 "[ . 1 . 2]" 1
1267 1 12 LYS H 1 12 LYS HA 2.700 . 3.600 2.929 2.922 2.934 . 0 0 "[ . 1 . 2]" 1
1268 1 10 PHE HA 1 12 LYS H 3.400 . 5.000 4.131 4.055 4.272 . 0 0 "[ . 1 . 2]" 1
1269 1 12 LYS H 1 22 GLU HG3 3.200 . 4.600 3.866 2.473 4.672 0.072 9 0 "[ . 1 . 2]" 1
1270 1 11 ASP HB3 1 12 LYS H 3.400 . 5.000 4.488 4.316 4.599 . 0 0 "[ . 1 . 2]" 1
1271 1 12 LYS H 1 12 LYS HE3 3.700 . 5.600 5.299 4.988 5.674 0.074 11 0 "[ . 1 . 2]" 1
1272 1 12 LYS H 1 22 GLU HG2 3.000 . 4.200 3.245 2.515 3.795 . 0 0 "[ . 1 . 2]" 1
1273 1 12 LYS H 1 12 LYS HD3 3.200 . 4.600 4.184 3.541 4.299 . 0 0 "[ . 1 . 2]" 1
1274 1 12 LYS H 1 18 LEU HA 3.700 . 5.600 4.985 4.865 5.210 . 0 0 "[ . 1 . 2]" 1
1275 1 12 LYS H 1 13 ASN H 2.700 . 3.600 2.330 2.294 2.377 . 0 0 "[ . 1 . 2]" 1
1276 1 7 PHE QE 1 18 LEU H 3.200 . 4.600 4.302 2.545 4.648 0.048 17 0 "[ . 1 . 2]" 1
1277 1 7 PHE QE 1 16 GLY H 3.500 . 5.200 3.325 3.061 3.419 . 0 0 "[ . 1 . 2]" 1
1278 1 7 PHE QD 1 16 GLY H 3.700 . 5.600 5.289 4.904 5.360 . 0 0 "[ . 1 . 2]" 1
1279 1 16 GLY H 1 59 PHE QE 3.700 . 5.600 4.580 4.444 5.088 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 325
_Distance_constraint_stats_list.Viol_total 579.169
_Distance_constraint_stats_list.Viol_max 0.383
_Distance_constraint_stats_list.Viol_rms 0.0660
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0315
_Distance_constraint_stats_list.Viol_average_violations_only 0.0891
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ALA 0.606 0.067 11 0 "[ . 1 . 2]"
1 4 LYS 0.067 0.025 4 0 "[ . 1 . 2]"
1 5 ARG 0.214 0.044 9 0 "[ . 1 . 2]"
1 6 VAL 0.440 0.085 12 0 "[ . 1 . 2]"
1 7 PHE 0.606 0.067 11 0 "[ . 1 . 2]"
1 8 GLU 0.067 0.025 4 0 "[ . 1 . 2]"
1 9 LYS 0.214 0.044 9 0 "[ . 1 . 2]"
1 10 PHE 0.440 0.085 12 0 "[ . 1 . 2]"
1 20 LEU 0.046 0.023 16 0 "[ . 1 . 2]"
1 21 ASP 0.031 0.031 7 0 "[ . 1 . 2]"
1 22 GLU 0.328 0.071 10 0 "[ . 1 . 2]"
1 23 PHE 1.817 0.103 16 0 "[ . 1 . 2]"
1 24 ARG 0.954 0.090 16 0 "[ . 1 . 2]"
1 25 GLU 0.171 0.056 20 0 "[ . 1 . 2]"
1 26 VAL 0.471 0.071 10 0 "[ . 1 . 2]"
1 27 ALA 1.817 0.103 16 0 "[ . 1 . 2]"
1 28 LEU 0.908 0.090 16 0 "[ . 1 . 2]"
1 29 ALA 0.140 0.056 20 0 "[ . 1 . 2]"
1 30 PHE 0.143 0.029 7 0 "[ . 1 . 2]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.192 0.032 19 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 2.928 0.181 11 0 "[ . 1 . 2]"
1 40 VAL 2.338 0.179 17 0 "[ . 1 . 2]"
1 41 LYS 0.236 0.044 11 0 "[ . 1 . 2]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 2.928 0.181 11 0 "[ . 1 . 2]"
1 44 GLU 2.338 0.179 17 0 "[ . 1 . 2]"
1 45 GLU 0.044 0.044 11 0 "[ . 1 . 2]"
1 56 ALA 3.717 0.221 12 0 "[ . 1 . 2]"
1 57 ASP 4.018 0.151 6 0 "[ . 1 . 2]"
1 58 GLU 0.224 0.038 7 0 "[ . 1 . 2]"
1 59 PHE 0.460 0.084 10 0 "[ . 1 . 2]"
1 60 THR 5.019 0.221 12 0 "[ . 1 . 2]"
1 61 SER 13.014 0.383 16 0 "[ . 1 . 2]"
1 62 CYS 0.224 0.038 7 0 "[ . 1 . 2]"
1 63 ILE 0.460 0.084 10 0 "[ . 1 . 2]"
1 64 GLU 1.302 0.123 12 0 "[ . 1 . 2]"
1 65 LYS 8.996 0.383 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ALA O 1 7 PHE H 2.000 . 2.200 2.221 2.144 2.267 0.067 11 0 "[ . 1 . 2]" 2
2 1 3 ALA O 1 7 PHE N 2.500 . 3.200 3.075 2.965 3.175 . 0 0 "[ . 1 . 2]" 2
3 1 4 LYS O 1 8 GLU H 2.000 . 2.200 1.855 1.775 2.069 0.025 4 0 "[ . 1 . 2]" 2
4 1 4 LYS O 1 8 GLU N 2.500 . 3.200 2.798 2.691 3.003 . 0 0 "[ . 1 . 2]" 2
5 1 5 ARG O 1 9 LYS H 2.000 . 2.200 2.197 2.076 2.244 0.044 9 0 "[ . 1 . 2]" 2
6 1 5 ARG O 1 9 LYS N 2.500 . 3.200 3.150 3.046 3.192 . 0 0 "[ . 1 . 2]" 2
7 1 6 VAL O 1 10 PHE H 2.000 . 2.200 2.204 2.123 2.285 0.085 12 0 "[ . 1 . 2]" 2
8 1 6 VAL O 1 10 PHE N 2.500 . 3.200 3.077 2.987 3.195 . 0 0 "[ . 1 . 2]" 2
9 1 20 LEU O 1 24 ARG H 2.000 . 2.200 1.883 1.777 2.030 0.023 16 0 "[ . 1 . 2]" 2
10 1 20 LEU O 1 24 ARG N 2.500 . 3.200 2.532 2.431 2.671 . 0 0 "[ . 1 . 2]" 2
11 1 21 ASP O 1 25 GLU H 2.000 . 2.200 2.136 2.063 2.231 0.031 7 0 "[ . 1 . 2]" 2
12 1 21 ASP O 1 25 GLU N 2.500 . 3.200 2.912 2.843 2.998 . 0 0 "[ . 1 . 2]" 2
13 1 22 GLU O 1 26 VAL H 2.000 . 2.200 1.817 1.729 1.966 0.071 10 0 "[ . 1 . 2]" 2
14 1 22 GLU O 1 26 VAL N 2.500 . 3.200 2.682 2.606 2.827 . 0 0 "[ . 1 . 2]" 2
15 1 23 PHE O 1 27 ALA H 2.000 . 2.200 1.709 1.697 1.738 0.103 16 0 "[ . 1 . 2]" 2
16 1 23 PHE O 1 27 ALA N 2.500 . 3.200 2.512 2.442 2.559 . 0 0 "[ . 1 . 2]" 2
17 1 24 ARG O 1 28 LEU H 2.000 . 2.200 1.770 1.710 1.986 0.090 16 0 "[ . 1 . 2]" 2
18 1 24 ARG O 1 28 LEU N 2.500 . 3.200 2.648 2.556 2.746 . 0 0 "[ . 1 . 2]" 2
19 1 25 GLU O 1 29 ALA H 2.000 . 2.200 1.843 1.744 1.977 0.056 20 0 "[ . 1 . 2]" 2
20 1 25 GLU O 1 29 ALA N 2.500 . 3.200 2.670 2.599 2.791 . 0 0 "[ . 1 . 2]" 2
21 1 26 VAL O 1 30 PHE H 2.000 . 2.200 2.191 2.105 2.229 0.029 7 0 "[ . 1 . 2]" 2
22 1 26 VAL O 1 30 PHE N 2.500 . 3.200 3.100 3.011 3.151 . 0 0 "[ . 1 . 2]" 2
23 1 36 GLN O 1 40 VAL H 2.000 . 2.200 1.959 1.807 2.055 . 0 0 "[ . 1 . 2]" 2
24 1 36 GLN O 1 40 VAL N 2.500 . 3.200 2.882 2.752 2.972 . 0 0 "[ . 1 . 2]" 2
25 1 37 GLU O 1 41 LYS H 2.000 . 2.200 1.812 1.768 1.928 0.032 19 0 "[ . 1 . 2]" 2
26 1 37 GLU O 1 41 LYS N 2.500 . 3.200 2.694 2.640 2.793 . 0 0 "[ . 1 . 2]" 2
27 1 38 ASP O 1 42 PHE H 2.000 . 2.200 2.107 1.868 2.181 . 0 0 "[ . 1 . 2]" 2
28 1 38 ASP O 1 42 PHE N 2.500 . 3.200 3.004 2.761 3.071 . 0 0 "[ . 1 . 2]" 2
29 1 39 ILE O 1 43 PHE H 2.000 . 2.200 1.654 1.619 1.759 0.181 11 0 "[ . 1 . 2]" 2
30 1 39 ILE O 1 43 PHE N 2.500 . 3.200 2.565 2.500 2.707 . 0 0 "[ . 1 . 2]" 2
31 1 40 VAL O 1 44 GLU H 2.000 . 2.200 1.683 1.621 1.720 0.179 17 0 "[ . 1 . 2]" 2
32 1 40 VAL O 1 44 GLU N 2.500 . 3.200 2.543 2.452 2.581 . 0 0 "[ . 1 . 2]" 2
33 1 41 LYS O 1 45 GLU H 2.000 . 2.200 1.884 1.756 2.021 0.044 11 0 "[ . 1 . 2]" 2
34 1 41 LYS O 1 45 GLU N 2.500 . 3.200 2.657 2.537 2.766 . 0 0 "[ . 1 . 2]" 2
35 1 56 ALA O 1 60 THR H 2.000 . 2.200 2.346 2.270 2.421 0.221 12 0 "[ . 1 . 2]" 2
36 1 56 ALA O 1 60 THR N 2.500 . 3.200 3.237 3.148 3.315 0.115 15 0 "[ . 1 . 2]" 2
37 1 57 ASP O 1 61 SER H 2.000 . 2.200 2.315 2.220 2.351 0.151 6 0 "[ . 1 . 2]" 2
38 1 57 ASP O 1 61 SER N 2.500 . 3.200 3.286 3.200 3.316 0.116 8 0 "[ . 1 . 2]" 2
39 1 58 GLU O 1 62 CYS H 2.000 . 2.200 1.823 1.762 2.084 0.038 7 0 "[ . 1 . 2]" 2
40 1 58 GLU O 1 62 CYS N 2.500 . 3.200 2.453 2.333 2.940 . 0 0 "[ . 1 . 2]" 2
41 1 59 PHE O 1 63 ILE H 2.000 . 2.200 2.121 1.810 2.284 0.084 10 0 "[ . 1 . 2]" 2
42 1 59 PHE O 1 63 ILE N 2.500 . 3.200 2.989 2.757 3.215 0.015 17 0 "[ . 1 . 2]" 2
43 1 60 THR O 1 64 GLU H 2.000 . 2.200 1.751 1.677 1.952 0.123 12 0 "[ . 1 . 2]" 2
44 1 60 THR O 1 64 GLU N 2.500 . 3.200 2.674 2.595 2.846 . 0 0 "[ . 1 . 2]" 2
45 1 61 SER O 1 65 LYS H 2.000 . 2.200 2.557 2.500 2.583 0.383 16 0 "[ . 1 . 2]" 2
46 1 61 SER O 1 65 LYS N 2.500 . 3.200 3.291 3.174 3.361 0.161 10 0 "[ . 1 . 2]" 2
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