NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
531270 |
2lan   |
16862 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lan
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 614
_Distance_constraint_stats_list.Viol_count 972
_Distance_constraint_stats_list.Viol_total 1410.342
_Distance_constraint_stats_list.Viol_max 0.465
_Distance_constraint_stats_list.Viol_rms 0.0420
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0967
_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 18 SER 0.052 0.049 5 0 "[ . 1 .]"
1 19 LEU 0.052 0.049 5 0 "[ . 1 .]"
1 20 ARG 0.640 0.132 11 0 "[ . 1 .]"
1 21 PRO 0.561 0.121 13 0 "[ . 1 .]"
1 22 GLU 0.127 0.090 8 0 "[ . 1 .]"
1 23 GLU 1.240 0.163 11 0 "[ . 1 .]"
1 24 ILE 2.276 0.163 11 0 "[ . 1 .]"
1 25 GLU 0.370 0.107 9 0 "[ . 1 .]"
1 26 GLU 0.447 0.131 3 0 "[ . 1 .]"
1 27 LEU 0.479 0.099 6 0 "[ . 1 .]"
1 28 ARG 0.223 0.107 9 0 "[ . 1 .]"
1 29 GLU 0.080 0.080 14 0 "[ . 1 .]"
1 30 ALA 0.937 0.073 10 0 "[ . 1 .]"
1 31 PHE 5.603 0.189 2 0 "[ . 1 .]"
1 32 ARG 3.083 0.286 14 0 "[ . 1 .]"
1 33 GLU 0.644 0.095 11 0 "[ . 1 .]"
1 34 PHE 1.857 0.143 8 0 "[ . 1 .]"
1 35 ASP 3.177 0.326 12 0 "[ . 1 .]"
1 36 LYS 0.263 0.104 3 0 "[ . 1 .]"
1 37 ASP 1.204 0.327 10 0 "[ . 1 .]"
1 38 LYS 8.465 0.369 11 0 "[ . 1 .]"
1 39 ASP 4.404 0.369 11 0 "[ . 1 .]"
1 40 GLY 2.589 0.339 11 0 "[ . 1 .]"
1 41 TYR 6.347 0.351 9 0 "[ . 1 .]"
1 42 ILE 3.430 0.361 6 0 "[ . 1 .]"
1 43 ASN 3.793 0.361 6 0 "[ . 1 .]"
1 44 CYS 2.134 0.339 9 0 "[ . 1 .]"
1 46 ASP 2.991 0.254 15 0 "[ . 1 .]"
1 47 LEU 0.701 0.113 11 0 "[ . 1 .]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 49 ASN 3.235 0.254 15 0 "[ . 1 .]"
1 50 CYS 1.316 0.182 9 0 "[ . 1 .]"
1 51 MET 5.082 0.343 12 0 "[ . 1 .]"
1 52 ARG 3.959 0.343 12 0 "[ . 1 .]"
1 53 THR 2.553 0.182 9 0 "[ . 1 .]"
1 54 MET 2.041 0.286 8 0 "[ . 1 .]"
1 55 GLY 0.920 0.286 8 0 "[ . 1 .]"
1 56 TYR 2.653 0.299 9 0 "[ . 1 .]"
1 58 PRO 0.183 0.118 6 0 "[ . 1 .]"
1 59 THR 2.704 0.465 13 0 "[ . 1 .]"
1 60 GLU 0.822 0.140 4 0 "[ . 1 .]"
1 61 MET 5.619 0.420 10 0 "[ . 1 .]"
1 62 GLU 0.190 0.069 9 0 "[ . 1 .]"
1 63 LEU 1.388 0.465 13 0 "[ . 1 .]"
1 64 ILE 7.939 0.420 10 0 "[ . 1 .]"
1 65 GLU 0.867 0.191 12 0 "[ . 1 .]"
1 66 LEU 2.837 0.368 9 0 "[ . 1 .]"
1 67 SER 5.453 0.289 11 0 "[ . 1 .]"
1 68 GLN 7.298 0.430 8 0 "[ . 1 .]"
1 69 GLN 0.425 0.132 11 0 "[ . 1 .]"
1 70 ILE 7.683 0.291 10 0 "[ . 1 .]"
1 71 ASN 4.870 0.430 8 0 "[ . 1 .]"
1 72 MET 0.352 0.135 7 0 "[ . 1 .]"
1 73 ASN 1.589 0.310 8 0 "[ . 1 .]"
1 74 LEU 2.192 0.310 8 0 "[ . 1 .]"
1 75 GLY 1.232 0.195 15 0 "[ . 1 .]"
1 76 GLY 0.805 0.335 15 0 "[ . 1 .]"
1 77 HIS 1.767 0.335 15 0 "[ . 1 .]"
1 78 VAL 7.222 0.300 6 0 "[ . 1 .]"
1 79 ASP 8.236 0.461 14 0 "[ . 1 .]"
1 80 PHE 0.289 0.104 6 0 "[ . 1 .]"
1 81 ASP 10.987 0.461 14 0 "[ . 1 .]"
1 82 ASP 5.483 0.233 13 0 "[ . 1 .]"
1 83 PHE 1.401 0.156 6 0 "[ . 1 .]"
1 84 VAL 2.361 0.221 4 0 "[ . 1 .]"
1 85 GLU 1.767 0.140 7 0 "[ . 1 .]"
1 86 LEU 3.189 0.205 5 0 "[ . 1 .]"
1 87 MET 1.200 0.205 5 0 "[ . 1 .]"
1 88 GLY 0.297 0.068 11 0 "[ . 1 .]"
1 89 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 90 LYS 0.492 0.165 14 0 "[ . 1 .]"
1 91 LEU 0.788 0.165 14 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 SER HA 1 19 LEU H 2.900 . 2.900 2.441 2.152 2.949 0.049 5 0 "[ . 1 .]" 1
2 1 18 SER QB 1 19 LEU H 2.900 . 3.900 3.316 1.810 3.903 0.003 6 0 "[ . 1 .]" 1
3 1 19 LEU H 1 20 ARG H 5.000 . 5.000 3.888 2.687 4.625 . 0 0 "[ . 1 .]" 1
4 1 19 LEU MD2 1 20 ARG H 5.000 . 6.500 4.227 3.118 5.505 . 0 0 "[ . 1 .]" 1
5 1 20 ARG H 1 23 GLU H 5.000 . 5.000 4.265 3.285 5.102 0.102 2 0 "[ . 1 .]" 1
6 1 20 ARG H 1 24 ILE H 5.000 . 5.000 4.862 4.373 5.132 0.132 11 0 "[ . 1 .]" 1
7 1 21 PRO HA 1 24 ILE H 3.500 . 3.500 3.454 3.098 3.621 0.121 13 0 "[ . 1 .]" 1
8 1 21 PRO HA 1 24 ILE MD 3.300 . 4.800 3.305 2.265 4.616 . 0 0 "[ . 1 .]" 1
9 1 21 PRO HA 1 24 ILE QG 5.000 . 6.500 3.442 2.154 5.083 . 0 0 "[ . 1 .]" 1
10 1 21 PRO QB 1 24 ILE MD 5.000 . 7.000 4.636 3.271 5.962 . 0 0 "[ . 1 .]" 1
11 1 22 GLU H 1 22 GLU QB 2.900 . 3.900 2.353 2.246 2.701 . 0 0 "[ . 1 .]" 1
12 1 22 GLU H 1 23 GLU H 5.000 . 5.000 2.509 2.235 2.736 . 0 0 "[ . 1 .]" 1
13 1 22 GLU HA 1 25 GLU QB 2.900 . 3.900 3.270 2.801 3.990 0.090 8 0 "[ . 1 .]" 1
14 1 22 GLU QB 1 24 ILE H 5.000 . 6.000 4.869 4.527 5.358 . 0 0 "[ . 1 .]" 1
15 1 23 GLU H 1 23 GLU HA 2.900 . 2.900 2.894 2.834 2.939 0.039 13 0 "[ . 1 .]" 1
16 1 23 GLU H 1 23 GLU QB 2.900 . 3.900 2.319 2.253 2.362 . 0 0 "[ . 1 .]" 1
17 1 23 GLU H 1 24 ILE H 2.900 . 2.900 2.401 2.278 2.573 . 0 0 "[ . 1 .]" 1
18 1 23 GLU H 1 24 ILE HA 5.000 . 5.000 5.045 4.962 5.163 0.163 11 0 "[ . 1 .]" 1
19 1 23 GLU H 1 24 ILE QG 5.000 . 6.500 4.333 3.192 6.072 . 0 0 "[ . 1 .]" 1
20 1 23 GLU H 1 25 GLU H 5.000 . 5.000 3.973 3.429 4.407 . 0 0 "[ . 1 .]" 1
21 1 23 GLU HA 1 26 GLU QB 2.900 . 3.900 3.267 2.701 3.871 . 0 0 "[ . 1 .]" 1
22 1 24 ILE H 1 24 ILE HA 2.900 . 2.900 2.813 2.718 2.841 . 0 0 "[ . 1 .]" 1
23 1 24 ILE H 1 24 ILE MD 2.900 . 4.400 3.303 1.951 4.259 . 0 0 "[ . 1 .]" 1
24 1 24 ILE H 1 24 ILE QG 2.900 . 3.900 2.503 1.812 3.950 0.050 7 0 "[ . 1 .]" 1
25 1 24 ILE H 1 25 GLU H 2.900 . 2.900 2.681 2.560 2.901 0.001 5 0 "[ . 1 .]" 1
26 1 24 ILE HA 1 24 ILE MD 2.900 . 4.400 3.155 2.041 4.127 . 0 0 "[ . 1 .]" 1
27 1 24 ILE HA 1 24 ILE MG 2.900 . 4.400 2.521 2.254 3.192 . 0 0 "[ . 1 .]" 1
28 1 24 ILE HA 1 27 LEU H 3.500 . 3.500 3.319 3.068 3.599 0.099 6 0 "[ . 1 .]" 1
29 1 24 ILE HA 1 27 LEU QB 2.900 . 3.900 2.752 2.404 3.076 . 0 0 "[ . 1 .]" 1
30 1 24 ILE HA 1 27 LEU MD1 3.300 . 4.800 2.900 2.108 4.873 0.073 4 0 "[ . 1 .]" 1
31 1 24 ILE HA 1 27 LEU MD2 5.000 . 6.500 4.129 2.631 5.107 . 0 0 "[ . 1 .]" 1
32 1 24 ILE HA 1 84 VAL MG2 3.300 . 4.800 4.184 3.673 4.611 . 0 0 "[ . 1 .]" 1
33 1 24 ILE HB 1 24 ILE MD 2.900 . 4.400 2.600 2.245 3.233 . 0 0 "[ . 1 .]" 1
34 1 24 ILE MD 1 80 PHE HZ 5.000 . 6.500 4.335 3.292 5.202 . 0 0 "[ . 1 .]" 1
35 1 24 ILE MD 1 84 VAL HA 6.000 2.800 7.500 6.393 4.956 7.500 . 0 0 "[ . 1 .]" 1
36 1 24 ILE MD 1 84 VAL MG2 3.300 . 6.300 4.159 3.149 5.096 . 0 0 "[ . 1 .]" 1
37 1 24 ILE QG 1 25 GLU H 3.500 . 4.500 3.887 2.151 4.492 . 0 0 "[ . 1 .]" 1
38 1 24 ILE QG 1 84 VAL MG1 3.300 . 5.800 3.698 2.299 5.050 . 0 0 "[ . 1 .]" 1
39 1 24 ILE QG 1 84 VAL MG2 2.900 . 5.900 4.387 3.100 5.771 . 0 0 "[ . 1 .]" 1
40 1 24 ILE MG 1 80 PHE QD 5.000 . 8.500 5.158 4.114 6.676 . 0 0 "[ . 1 .]" 1
41 1 24 ILE MG 1 80 PHE QE 2.900 . 6.400 3.374 2.247 4.825 . 0 0 "[ . 1 .]" 1
42 1 24 ILE MG 1 80 PHE HZ 2.900 . 4.400 2.892 2.088 4.463 0.063 14 0 "[ . 1 .]" 1
43 1 24 ILE MG 1 84 VAL MG2 2.900 . 5.900 3.726 2.608 5.308 . 0 0 "[ . 1 .]" 1
44 1 25 GLU H 1 25 GLU HA 2.900 . 2.900 2.797 2.714 2.842 . 0 0 "[ . 1 .]" 1
45 1 25 GLU H 1 25 GLU QB 2.900 . 3.900 2.306 2.200 2.471 . 0 0 "[ . 1 .]" 1
46 1 25 GLU H 1 26 GLU H 2.900 . 2.900 2.728 2.582 2.918 0.018 4 0 "[ . 1 .]" 1
47 1 25 GLU HA 1 28 ARG H 3.500 . 3.500 3.483 3.390 3.607 0.107 9 0 "[ . 1 .]" 1
48 1 25 GLU HA 1 28 ARG QB 2.900 . 3.900 2.819 2.548 3.537 . 0 0 "[ . 1 .]" 1
49 1 26 GLU H 1 26 GLU HA 2.900 . 2.900 2.834 2.819 2.859 . 0 0 "[ . 1 .]" 1
50 1 26 GLU H 1 26 GLU QG 2.900 . 3.900 2.981 2.091 4.031 0.131 3 0 "[ . 1 .]" 1
51 1 26 GLU H 1 27 LEU H 2.900 . 2.900 2.626 2.502 2.713 . 0 0 "[ . 1 .]" 1
52 1 26 GLU H 1 28 ARG H 5.000 . 5.000 4.088 3.975 4.319 . 0 0 "[ . 1 .]" 1
53 1 26 GLU HA 1 29 GLU QB 2.900 . 3.900 3.180 2.840 3.555 . 0 0 "[ . 1 .]" 1
54 1 27 LEU H 1 27 LEU QB 2.900 . 3.900 2.361 2.191 2.564 . 0 0 "[ . 1 .]" 1
55 1 27 LEU H 1 27 LEU QD 2.900 . 4.400 2.709 1.776 3.308 0.024 5 0 "[ . 1 .]" 1
56 1 27 LEU H 1 28 ARG H 2.900 . 2.900 2.618 2.566 2.684 . 0 0 "[ . 1 .]" 1
57 1 27 LEU H 1 80 PHE QE 3.500 . 5.500 4.909 4.621 5.076 . 0 0 "[ . 1 .]" 1
58 1 27 LEU H 1 80 PHE HZ 5.000 . 5.000 4.821 4.413 5.021 0.021 8 0 "[ . 1 .]" 1
59 1 27 LEU H 1 84 VAL MG2 5.000 . 6.500 5.079 4.768 5.469 . 0 0 "[ . 1 .]" 1
60 1 27 LEU HA 1 27 LEU MD1 3.300 . 4.800 3.394 2.139 3.818 . 0 0 "[ . 1 .]" 1
61 1 27 LEU HA 1 27 LEU MD2 2.900 . 4.400 2.265 2.072 3.678 . 0 0 "[ . 1 .]" 1
62 1 27 LEU HA 1 28 ARG H 5.000 . 5.000 3.519 3.497 3.543 . 0 0 "[ . 1 .]" 1
63 1 27 LEU HA 1 29 GLU H 5.000 . 5.000 4.278 4.147 4.395 . 0 0 "[ . 1 .]" 1
64 1 27 LEU HA 1 30 ALA H 3.500 . 3.500 3.397 3.168 3.531 0.031 2 0 "[ . 1 .]" 1
65 1 27 LEU HA 1 30 ALA MB 2.900 . 3.900 2.839 2.355 3.239 . 0 0 "[ . 1 .]" 1
66 1 27 LEU HA 1 31 PHE H 5.000 . 5.000 4.178 3.677 4.697 . 0 0 "[ . 1 .]" 1
67 1 27 LEU QB 1 27 LEU MD2 2.900 . 5.400 2.213 2.101 2.327 . 0 0 "[ . 1 .]" 1
68 1 27 LEU QB 1 28 ARG H 3.500 . 4.500 2.647 2.559 2.764 . 0 0 "[ . 1 .]" 1
69 1 27 LEU QB 1 84 VAL H 5.000 . 6.000 5.515 5.110 5.945 . 0 0 "[ . 1 .]" 1
70 1 27 LEU QB 1 84 VAL MG1 3.300 . 5.800 3.751 3.626 3.972 . 0 0 "[ . 1 .]" 1
71 1 27 LEU QB 1 84 VAL MG2 3.300 . 5.800 2.440 2.181 2.849 . 0 0 "[ . 1 .]" 1
72 1 27 LEU QD 1 30 ALA MB 2.900 . 6.300 3.397 3.069 3.837 . 0 0 "[ . 1 .]" 1
73 1 27 LEU MD1 1 84 VAL HA 3.300 . 4.800 3.348 2.514 4.849 0.049 14 0 "[ . 1 .]" 1
74 1 27 LEU MD1 1 84 VAL MG2 3.300 . 6.300 2.603 2.203 3.977 . 0 0 "[ . 1 .]" 1
75 1 27 LEU MD1 1 87 MET QB 5.000 . 7.500 3.555 2.478 4.392 . 0 0 "[ . 1 .]" 1
76 1 27 LEU MD2 1 28 ARG H 3.500 . 5.000 4.507 3.860 4.816 . 0 0 "[ . 1 .]" 1
77 1 27 LEU MD2 1 29 GLU H 5.000 . 6.500 5.628 5.046 6.580 0.080 14 0 "[ . 1 .]" 1
78 1 27 LEU MD2 1 30 ALA H 5.000 . 6.500 4.938 4.650 6.192 . 0 0 "[ . 1 .]" 1
79 1 27 LEU MD2 1 31 PHE H 5.000 . 6.500 5.306 4.910 5.930 . 0 0 "[ . 1 .]" 1
80 1 27 LEU MD2 1 54 MET ME 2.900 . 5.900 3.955 2.005 5.925 0.025 14 0 "[ . 1 .]" 1
81 1 27 LEU MD2 1 83 PHE QD 3.300 . 6.800 4.768 2.971 6.087 . 0 0 "[ . 1 .]" 1
82 1 27 LEU MD2 1 83 PHE QE 2.900 . 6.400 3.325 2.480 4.700 . 0 0 "[ . 1 .]" 1
83 1 27 LEU MD2 1 84 VAL MG2 5.000 . 8.000 3.620 2.192 4.518 . 0 0 "[ . 1 .]" 1
84 1 28 ARG H 1 28 ARG HA 2.900 . 2.900 2.801 2.777 2.819 . 0 0 "[ . 1 .]" 1
85 1 28 ARG H 1 28 ARG QB 2.900 . 3.900 2.260 2.174 2.397 . 0 0 "[ . 1 .]" 1
86 1 28 ARG H 1 28 ARG QG 3.500 . 4.500 3.735 2.162 4.048 . 0 0 "[ . 1 .]" 1
87 1 28 ARG H 1 29 GLU H 2.900 . 2.900 2.725 2.655 2.806 . 0 0 "[ . 1 .]" 1
88 1 28 ARG H 1 30 ALA H 5.000 . 5.000 4.267 4.153 4.353 . 0 0 "[ . 1 .]" 1
89 1 28 ARG H 1 31 PHE QB 5.000 . 6.000 4.846 4.686 4.964 . 0 0 "[ . 1 .]" 1
90 1 28 ARG H 1 31 PHE QD 5.000 . 7.000 6.796 6.664 6.888 . 0 0 "[ . 1 .]" 1
91 1 28 ARG H 1 80 PHE QE 3.500 . 5.500 3.394 3.220 3.580 . 0 0 "[ . 1 .]" 1
92 1 28 ARG H 1 80 PHE HZ 5.000 . 5.000 3.365 3.158 3.755 . 0 0 "[ . 1 .]" 1
93 1 28 ARG H 1 84 VAL MG2 5.000 . 6.500 4.717 4.336 4.984 . 0 0 "[ . 1 .]" 1
94 1 28 ARG HA 1 29 GLU H 5.000 . 5.000 3.541 3.520 3.550 . 0 0 "[ . 1 .]" 1
95 1 28 ARG HA 1 31 PHE QB 2.900 . 3.900 2.751 2.587 2.925 . 0 0 "[ . 1 .]" 1
96 1 28 ARG HA 1 80 PHE QE 2.900 . 4.900 2.413 2.306 2.675 . 0 0 "[ . 1 .]" 1
97 1 28 ARG QG 1 29 GLU H 5.000 . 6.000 3.776 3.589 4.158 . 0 0 "[ . 1 .]" 1
98 1 28 ARG QG 1 30 ALA H 5.000 . 6.000 5.346 5.066 5.730 . 0 0 "[ . 1 .]" 1
99 1 28 ARG QG 1 32 ARG H 5.000 . 6.000 4.290 3.735 5.848 . 0 0 "[ . 1 .]" 1
100 1 29 GLU H 1 29 GLU HA 2.900 . 2.900 2.812 2.765 2.863 . 0 0 "[ . 1 .]" 1
101 1 29 GLU H 1 30 ALA H 2.900 . 2.900 2.720 2.567 2.835 . 0 0 "[ . 1 .]" 1
102 1 29 GLU H 1 31 PHE H 5.000 . 5.000 4.278 4.093 4.411 . 0 0 "[ . 1 .]" 1
103 1 29 GLU H 1 31 PHE QB 5.000 . 6.000 4.935 4.827 5.046 . 0 0 "[ . 1 .]" 1
104 1 29 GLU H 1 80 PHE QE 5.000 . 7.000 5.127 5.015 5.325 . 0 0 "[ . 1 .]" 1
105 1 29 GLU HA 1 32 ARG QB 2.900 . 3.900 3.057 2.835 3.186 . 0 0 "[ . 1 .]" 1
106 1 30 ALA H 1 30 ALA HA 2.900 . 2.900 2.824 2.802 2.846 . 0 0 "[ . 1 .]" 1
107 1 30 ALA H 1 30 ALA MB 2.900 . 3.900 2.219 2.175 2.235 . 0 0 "[ . 1 .]" 1
108 1 30 ALA H 1 31 PHE H 2.900 . 2.900 2.722 2.619 2.771 . 0 0 "[ . 1 .]" 1
109 1 30 ALA H 1 31 PHE QB 5.000 . 6.000 4.413 4.361 4.457 . 0 0 "[ . 1 .]" 1
110 1 30 ALA H 1 31 PHE QD 5.000 . 7.000 6.340 6.263 6.392 . 0 0 "[ . 1 .]" 1
111 1 30 ALA H 1 32 ARG H 5.000 . 5.000 4.312 4.198 4.380 . 0 0 "[ . 1 .]" 1
112 1 30 ALA HA 1 31 PHE H 3.500 . 3.500 3.559 3.528 3.573 0.073 10 0 "[ . 1 .]" 1
113 1 30 ALA HA 1 32 ARG H 5.000 . 5.000 4.540 4.441 4.593 . 0 0 "[ . 1 .]" 1
114 1 30 ALA HA 1 33 GLU H 3.500 . 3.500 3.366 3.260 3.504 0.004 14 0 "[ . 1 .]" 1
115 1 30 ALA HA 1 33 GLU QB 2.900 . 3.900 2.386 2.207 2.552 . 0 0 "[ . 1 .]" 1
116 1 30 ALA MB 1 31 PHE H 2.900 . 3.900 2.382 2.277 2.576 . 0 0 "[ . 1 .]" 1
117 1 30 ALA MB 1 34 PHE H 5.000 . 6.500 4.847 4.453 5.379 . 0 0 "[ . 1 .]" 1
118 1 30 ALA MB 1 83 PHE QD 5.000 . 8.000 4.900 4.654 5.210 . 0 0 "[ . 1 .]" 1
119 1 30 ALA MB 1 83 PHE QE 2.900 . 5.900 3.142 2.780 3.545 . 0 0 "[ . 1 .]" 1
120 1 30 ALA MB 1 83 PHE HZ 2.900 . 3.900 3.320 3.084 3.517 . 0 0 "[ . 1 .]" 1
121 1 31 PHE H 1 31 PHE HA 2.900 . 2.900 2.767 2.744 2.798 . 0 0 "[ . 1 .]" 1
122 1 31 PHE H 1 31 PHE QB 3.500 . 4.500 2.216 2.166 2.250 . 0 0 "[ . 1 .]" 1
123 1 31 PHE H 1 31 PHE QD 3.500 . 4.500 4.105 3.970 4.174 . 0 0 "[ . 1 .]" 1
124 1 31 PHE H 1 42 ILE MG 5.000 . 6.500 6.504 6.306 6.642 0.142 11 0 "[ . 1 .]" 1
125 1 31 PHE H 1 80 PHE QB 6.000 2.800 7.000 6.268 5.908 6.646 . 0 0 "[ . 1 .]" 1
126 1 31 PHE H 1 80 PHE QD 5.000 . 7.000 4.483 4.344 4.625 . 0 0 "[ . 1 .]" 1
127 1 31 PHE H 1 80 PHE QE 3.500 . 5.500 4.097 3.884 4.357 . 0 0 "[ . 1 .]" 1
128 1 31 PHE H 1 83 PHE QD 3.500 . 5.500 4.812 4.494 5.264 . 0 0 "[ . 1 .]" 1
129 1 31 PHE H 1 83 PHE QE 3.500 . 5.500 3.664 3.338 4.421 . 0 0 "[ . 1 .]" 1
130 1 31 PHE H 1 83 PHE HZ 5.000 . 5.000 5.085 5.041 5.156 0.156 6 0 "[ . 1 .]" 1
131 1 31 PHE HA 1 32 ARG H 3.500 . 3.500 3.558 3.552 3.566 0.066 11 0 "[ . 1 .]" 1
132 1 31 PHE HA 1 34 PHE H 5.000 . 5.000 3.776 3.525 4.161 . 0 0 "[ . 1 .]" 1
133 1 31 PHE HA 1 34 PHE QB 2.900 . 3.900 3.310 2.816 4.025 0.125 12 0 "[ . 1 .]" 1
134 1 31 PHE HA 1 34 PHE QD 5.000 . 7.000 3.653 2.568 4.554 . 0 0 "[ . 1 .]" 1
135 1 31 PHE HA 1 35 ASP H 5.000 . 5.000 4.600 4.065 4.913 . 0 0 "[ . 1 .]" 1
136 1 31 PHE HA 1 42 ILE MD 3.300 . 4.800 3.424 3.211 3.659 . 0 0 "[ . 1 .]" 1
137 1 31 PHE QB 1 32 ARG H 2.900 . 3.900 2.342 2.295 2.406 . 0 0 "[ . 1 .]" 1
138 1 31 PHE QD 1 32 ARG H 3.500 . 5.600 3.395 3.037 3.825 . 0 0 "[ . 1 .]" 1
139 1 31 PHE QD 1 33 GLU H 5.000 . 7.000 5.341 4.979 5.765 . 0 0 "[ . 1 .]" 1
140 1 31 PHE QD 1 42 ILE MD 3.300 . 6.800 2.892 2.698 3.144 . 0 0 "[ . 1 .]" 1
141 1 31 PHE QD 1 78 VAL MG1 5.000 . 8.500 4.785 4.186 5.474 . 0 0 "[ . 1 .]" 1
142 1 31 PHE QD 1 78 VAL MG2 5.000 . 8.500 6.795 6.607 7.057 . 0 0 "[ . 1 .]" 1
143 1 31 PHE QD 1 80 PHE QD 3.300 . 7.300 2.675 2.311 2.995 . 0 0 "[ . 1 .]" 1
144 1 31 PHE QD 1 82 ASP H 5.000 . 7.000 6.846 6.652 7.047 0.047 6 0 "[ . 1 .]" 1
145 1 31 PHE QD 1 83 PHE QD 3.300 . 7.300 2.441 2.301 3.063 . 0 0 "[ . 1 .]" 1
146 1 31 PHE QE 1 39 ASP H 5.000 . 7.000 5.522 4.379 6.381 . 0 0 "[ . 1 .]" 1
147 1 31 PHE QE 1 40 GLY H 5.000 . 7.000 4.100 2.997 5.361 . 0 0 "[ . 1 .]" 1
148 1 31 PHE QE 1 40 GLY QA 5.000 . 8.000 3.017 2.298 4.794 . 0 0 "[ . 1 .]" 1
149 1 31 PHE QE 1 41 TYR H 3.500 . 5.500 3.443 2.169 4.884 . 0 0 "[ . 1 .]" 1
150 1 31 PHE QE 1 41 TYR HA 5.000 . 7.000 3.502 2.604 4.074 . 0 0 "[ . 1 .]" 1
151 1 31 PHE QE 1 41 TYR QD 2.900 . 6.900 5.061 4.223 5.496 . 0 0 "[ . 1 .]" 1
152 1 31 PHE QE 1 42 ILE H 3.500 . 5.500 3.987 3.414 4.375 . 0 0 "[ . 1 .]" 1
153 1 31 PHE QE 1 42 ILE MD 2.900 . 6.400 2.330 2.162 2.654 . 0 0 "[ . 1 .]" 1
154 1 31 PHE QE 1 42 ILE MG 3.300 . 6.800 2.876 2.581 3.149 . 0 0 "[ . 1 .]" 1
155 1 31 PHE QE 1 79 ASP HA 3.300 . 5.300 3.603 3.256 3.901 . 0 0 "[ . 1 .]" 1
156 1 31 PHE QE 1 80 PHE H 5.000 . 7.000 3.293 2.913 3.663 . 0 0 "[ . 1 .]" 1
157 1 31 PHE QE 1 83 PHE H 5.000 . 7.400 4.142 4.027 4.397 . 0 0 "[ . 1 .]" 1
158 1 31 PHE HZ 1 41 TYR H 5.000 . 5.000 4.114 3.153 5.128 0.128 9 0 "[ . 1 .]" 1
159 1 31 PHE HZ 1 41 TYR HA 3.300 . 3.300 2.491 2.241 2.884 . 0 0 "[ . 1 .]" 1
160 1 31 PHE HZ 1 42 ILE H 3.500 . 3.500 2.917 2.179 3.525 0.025 8 0 "[ . 1 .]" 1
161 1 31 PHE HZ 1 79 ASP HA . . 2.900 3.003 2.942 3.089 0.189 2 0 "[ . 1 .]" 1
162 1 31 PHE HZ 1 80 PHE H 3.500 . 3.500 3.062 2.837 3.501 0.001 9 0 "[ . 1 .]" 1
163 1 32 ARG H 1 32 ARG HA 2.900 . 2.900 2.837 2.804 2.857 . 0 0 "[ . 1 .]" 1
164 1 32 ARG H 1 32 ARG QB 2.900 . 3.900 2.312 2.147 2.469 . 0 0 "[ . 1 .]" 1
165 1 32 ARG H 1 33 GLU H 2.900 . 2.900 2.621 2.573 2.737 . 0 0 "[ . 1 .]" 1
166 1 32 ARG H 1 34 PHE H 5.000 . 5.000 4.065 3.870 4.416 . 0 0 "[ . 1 .]" 1
167 1 32 ARG H 1 80 PHE QE 5.000 . 7.000 5.676 5.170 6.043 . 0 0 "[ . 1 .]" 1
168 1 32 ARG HA 1 35 ASP H 2.900 . 2.900 3.047 2.913 3.186 0.286 14 0 "[ . 1 .]" 1
169 1 32 ARG HA 1 35 ASP QB 3.300 . 4.300 2.231 2.043 2.757 . 0 0 "[ . 1 .]" 1
170 1 33 GLU H 1 33 GLU HA 2.900 . 2.900 2.790 2.728 2.842 . 0 0 "[ . 1 .]" 1
171 1 33 GLU H 1 34 PHE H 2.900 . 2.900 2.709 2.572 2.940 0.040 8 0 "[ . 1 .]" 1
172 1 33 GLU H 1 42 ILE MG 5.000 . 6.500 6.489 6.197 6.595 0.095 11 0 "[ . 1 .]" 1
173 1 33 GLU HA 1 34 PHE H 3.500 . 3.500 3.467 3.390 3.552 0.052 8 0 "[ . 1 .]" 1
174 1 34 PHE H 1 34 PHE HA 2.900 . 2.900 2.940 2.855 2.964 0.064 7 0 "[ . 1 .]" 1
175 1 34 PHE H 1 34 PHE QB 2.900 . 3.900 2.384 2.223 2.706 . 0 0 "[ . 1 .]" 1
176 1 34 PHE H 1 35 ASP H 2.900 . 2.900 2.231 2.036 2.497 . 0 0 "[ . 1 .]" 1
177 1 34 PHE H 1 35 ASP HA 5.000 . 5.000 4.709 4.328 5.143 0.143 8 0 "[ . 1 .]" 1
178 1 34 PHE H 1 42 ILE MG 5.000 . 6.500 4.813 4.460 5.127 . 0 0 "[ . 1 .]" 1
179 1 34 PHE HA 1 34 PHE QD 3.300 . 5.300 2.512 2.266 2.960 . 0 0 "[ . 1 .]" 1
180 1 34 PHE QB 1 42 ILE MG 2.900 . 5.400 3.326 2.666 3.714 . 0 0 "[ . 1 .]" 1
181 1 34 PHE QD 1 50 CYS HA 3.300 . 5.300 4.055 3.752 4.642 . 0 0 "[ . 1 .]" 1
182 1 34 PHE QE 1 46 ASP HA 5.000 . 7.000 5.018 4.164 5.964 . 0 0 "[ . 1 .]" 1
183 1 34 PHE QE 1 47 LEU H 5.000 . 7.000 7.007 6.746 7.113 0.113 11 0 "[ . 1 .]" 1
184 1 34 PHE QE 1 49 ASN QB 5.000 . 8.000 2.981 2.233 4.322 . 0 0 "[ . 1 .]" 1
185 1 34 PHE QE 1 50 CYS H 5.000 . 7.000 4.235 3.215 4.742 . 0 0 "[ . 1 .]" 1
186 1 34 PHE QE 1 50 CYS HA 2.900 . 4.900 2.617 2.313 3.143 . 0 0 "[ . 1 .]" 1
187 1 34 PHE QE 1 50 CYS QB 3.300 . 6.300 2.899 2.198 3.578 . 0 0 "[ . 1 .]" 1
188 1 34 PHE QE 1 51 MET H 5.000 . 7.000 5.545 5.037 5.943 . 0 0 "[ . 1 .]" 1
189 1 34 PHE QE 1 53 THR HB 3.300 . 5.300 3.607 2.906 4.248 . 0 0 "[ . 1 .]" 1
190 1 34 PHE QE 1 53 THR HG1 2.900 . 6.400 2.993 2.244 3.690 . 0 0 "[ . 1 .]" 1
191 1 34 PHE HZ 1 50 CYS H 5.000 . 5.000 4.661 3.821 5.067 0.067 14 0 "[ . 1 .]" 1
192 1 34 PHE HZ 1 50 CYS HA 3.300 . 3.300 2.668 2.309 3.194 . 0 0 "[ . 1 .]" 1
193 1 34 PHE HZ 1 53 THR H 5.000 . 5.000 4.546 4.135 5.006 0.006 7 0 "[ . 1 .]" 1
194 1 34 PHE HZ 1 53 THR HG1 2.900 . 4.400 2.533 1.834 3.618 . 0 0 "[ . 1 .]" 1
195 1 35 ASP H 1 35 ASP HA 2.900 . 2.900 2.833 2.320 2.924 0.024 11 0 "[ . 1 .]" 1
196 1 35 ASP H 1 35 ASP QB 2.900 . 3.900 2.300 2.073 2.740 . 0 0 "[ . 1 .]" 1
197 1 35 ASP H 1 42 ILE MG 2.900 . 4.400 3.807 3.045 4.098 . 0 0 "[ . 1 .]" 1
198 1 35 ASP HA 1 36 LYS H 3.500 . 3.500 2.608 2.160 3.561 0.061 7 0 "[ . 1 .]" 1
199 1 35 ASP HA 1 37 ASP H 5.000 . 5.000 4.141 3.002 5.039 0.039 14 0 "[ . 1 .]" 1
200 1 35 ASP HA 1 38 LYS H 5.000 . 5.000 4.239 3.662 5.154 0.154 13 0 "[ . 1 .]" 1
201 1 35 ASP HA 1 42 ILE MG 2.900 . 4.400 2.437 1.992 3.304 . 0 0 "[ . 1 .]" 1
202 1 35 ASP QB 1 42 ILE MD 2.900 . 5.400 4.513 3.324 5.726 0.326 12 0 "[ . 1 .]" 1
203 1 35 ASP QB 1 42 ILE MG 2.900 . 5.400 3.014 2.005 4.226 . 0 0 "[ . 1 .]" 1
204 1 36 LYS H 1 37 ASP H 5.000 . 5.000 2.976 1.696 3.831 0.104 3 0 "[ . 1 .]" 1
205 1 36 LYS H 1 42 ILE MG 5.000 . 6.500 4.119 2.850 5.289 . 0 0 "[ . 1 .]" 1
206 1 37 ASP H 1 37 ASP QB 3.500 . 4.500 3.104 2.285 3.532 . 0 0 "[ . 1 .]" 1
207 1 37 ASP H 1 38 LYS H 2.900 . 2.900 2.283 1.737 2.956 0.063 5 0 "[ . 1 .]" 1
208 1 37 ASP H 1 38 LYS QG 5.000 . 6.000 5.121 2.720 6.327 0.327 10 0 "[ . 1 .]" 1
209 1 37 ASP HA 1 38 LYS H 3.500 . 3.500 3.488 3.368 3.566 0.066 11 0 "[ . 1 .]" 1
210 1 37 ASP QB 1 38 LYS H 3.500 . 4.500 3.308 2.357 3.772 . 0 0 "[ . 1 .]" 1
211 1 38 LYS H 1 38 LYS HA 2.900 . 2.900 2.496 2.241 2.955 0.055 11 0 "[ . 1 .]" 1
212 1 38 LYS H 1 38 LYS QB 2.900 . 3.900 2.827 2.498 3.342 . 0 0 "[ . 1 .]" 1
213 1 38 LYS H 1 38 LYS QD 3.500 . 4.500 3.842 2.593 4.559 0.059 12 0 "[ . 1 .]" 1
214 1 38 LYS H 1 38 LYS QG 2.900 . 3.900 3.539 2.490 4.256 0.356 10 0 "[ . 1 .]" 1
215 1 38 LYS H 1 39 ASP H 2.900 . 2.900 2.505 1.767 2.975 0.075 10 0 "[ . 1 .]" 1
216 1 38 LYS H 1 40 GLY H 5.000 . 5.000 4.027 3.181 4.619 . 0 0 "[ . 1 .]" 1
217 1 38 LYS HA 1 39 ASP H 2.900 . 2.900 2.907 2.512 3.269 0.369 11 0 "[ . 1 .]" 1
218 1 38 LYS HA 1 40 GLY H 3.500 . 3.500 3.300 2.868 3.839 0.339 11 0 "[ . 1 .]" 1
219 1 38 LYS HA 1 41 TYR H 5.000 . 5.000 4.872 4.355 5.351 0.351 9 0 "[ . 1 .]" 1
220 1 38 LYS QB 1 40 GLY H 5.000 . 6.000 3.902 2.405 5.039 . 0 0 "[ . 1 .]" 1
221 1 38 LYS QD 1 41 TYR H 5.000 . 6.000 5.416 4.002 6.263 0.263 14 0 "[ . 1 .]" 1
222 1 38 LYS QG 1 39 ASP H 3.500 . 4.500 4.469 4.173 4.773 0.273 9 0 "[ . 1 .]" 1
223 1 38 LYS QG 1 40 GLY H 5.000 . 6.000 4.463 3.251 5.621 . 0 0 "[ . 1 .]" 1
224 1 39 ASP H 1 39 ASP HA 2.900 . 2.900 2.731 2.298 2.961 0.061 4 0 "[ . 1 .]" 1
225 1 39 ASP H 1 39 ASP QB 2.900 . 3.900 2.940 2.471 3.408 . 0 0 "[ . 1 .]" 1
226 1 39 ASP H 1 40 GLY H 2.900 . 2.900 2.453 1.914 2.827 . 0 0 "[ . 1 .]" 1
227 1 39 ASP H 1 40 GLY QA 5.000 . 6.000 4.386 3.878 4.739 . 0 0 "[ . 1 .]" 1
228 1 39 ASP H 1 41 TYR H 3.500 . 3.500 3.533 3.113 3.805 0.305 13 0 "[ . 1 .]" 1
229 1 39 ASP H 1 41 TYR QD 5.000 . 7.000 5.823 4.619 6.838 . 0 0 "[ . 1 .]" 1
230 1 39 ASP H 1 42 ILE MG 5.000 . 6.500 4.847 4.333 5.257 . 0 0 "[ . 1 .]" 1
231 1 39 ASP HA 1 40 GLY H 3.500 . 3.500 3.260 3.179 3.317 . 0 0 "[ . 1 .]" 1
232 1 39 ASP HA 1 41 TYR H 5.000 . 5.000 4.677 4.094 5.065 0.065 15 0 "[ . 1 .]" 1
233 1 39 ASP QB 1 40 GLY H 5.000 . 6.000 3.652 3.311 3.924 . 0 0 "[ . 1 .]" 1
234 1 40 GLY H 1 41 TYR H 2.900 . 2.900 2.301 1.689 2.814 0.111 11 0 "[ . 1 .]" 1
235 1 40 GLY H 1 41 TYR HA 5.000 . 5.000 4.864 4.427 5.180 0.180 14 0 "[ . 1 .]" 1
236 1 40 GLY H 1 41 TYR QB 5.000 . 6.000 4.479 3.474 5.442 . 0 0 "[ . 1 .]" 1
237 1 40 GLY H 1 41 TYR QD 5.000 . 7.000 4.690 3.310 5.430 . 0 0 "[ . 1 .]" 1
238 1 40 GLY H 1 42 ILE MG 5.000 . 6.500 4.859 4.560 5.409 . 0 0 "[ . 1 .]" 1
239 1 40 GLY QA 1 41 TYR H 3.500 . 4.500 2.775 2.659 2.904 . 0 0 "[ . 1 .]" 1
240 1 41 TYR H 1 41 TYR HA 2.900 . 2.900 2.912 2.850 2.965 0.065 12 0 "[ . 1 .]" 1
241 1 41 TYR H 1 41 TYR QB 2.900 . 3.900 2.864 2.598 3.230 . 0 0 "[ . 1 .]" 1
242 1 41 TYR H 1 41 TYR QD 2.900 . 4.900 3.618 2.539 4.383 . 0 0 "[ . 1 .]" 1
243 1 41 TYR H 1 42 ILE H 5.000 . 5.000 4.328 4.167 4.481 . 0 0 "[ . 1 .]" 1
244 1 41 TYR H 1 42 ILE MG 5.000 . 6.500 3.649 3.131 4.631 . 0 0 "[ . 1 .]" 1
245 1 41 TYR HA 1 42 ILE H 2.900 . 2.900 2.267 2.145 2.401 . 0 0 "[ . 1 .]" 1
246 1 41 TYR HA 1 78 VAL H 5.000 . 5.000 4.937 4.364 5.237 0.237 11 0 "[ . 1 .]" 1
247 1 41 TYR HA 1 79 ASP HA 3.300 . 3.300 3.082 2.525 3.458 0.158 9 0 "[ . 1 .]" 1
248 1 41 TYR QB 1 42 ILE H 3.500 . 4.500 2.859 2.324 3.635 . 0 0 "[ . 1 .]" 1
249 1 41 TYR QB 1 78 VAL H 5.000 . 6.000 4.399 2.688 5.901 . 0 0 "[ . 1 .]" 1
250 1 41 TYR QD 1 42 ILE H 5.000 . 7.000 3.477 2.344 4.407 . 0 0 "[ . 1 .]" 1
251 1 41 TYR QD 1 78 VAL H 5.000 . 7.000 4.516 3.109 5.742 . 0 0 "[ . 1 .]" 1
252 1 41 TYR QD 1 79 ASP H 5.000 . 7.000 4.944 4.228 5.920 . 0 0 "[ . 1 .]" 1
253 1 41 TYR QD 1 79 ASP HA 3.300 . 5.300 3.294 2.302 4.325 . 0 0 "[ . 1 .]" 1
254 1 41 TYR QD 1 80 PHE H 3.500 . 5.500 4.765 3.136 5.604 0.104 6 0 "[ . 1 .]" 1
255 1 42 ILE H 1 42 ILE QG 2.900 . 3.900 2.235 1.833 2.438 . 0 0 "[ . 1 .]" 1
256 1 42 ILE H 1 42 ILE MG 3.500 . 5.100 2.996 2.666 3.207 . 0 0 "[ . 1 .]" 1
257 1 42 ILE H 1 43 ASN H 5.000 . 5.000 4.353 4.207 4.399 . 0 0 "[ . 1 .]" 1
258 1 42 ILE H 1 77 HIS HA 5.000 . 5.000 4.745 4.460 5.073 0.073 9 0 "[ . 1 .]" 1
259 1 42 ILE H 1 77 HIS QB 5.000 . 6.000 4.701 3.685 5.790 . 0 0 "[ . 1 .]" 1
260 1 42 ILE H 1 78 VAL H 3.500 . 3.500 3.144 2.854 3.423 . 0 0 "[ . 1 .]" 1
261 1 42 ILE H 1 78 VAL HB 5.000 . 5.000 4.138 3.264 4.489 . 0 0 "[ . 1 .]" 1
262 1 42 ILE H 1 78 VAL MG1 3.500 . 5.000 4.679 4.093 5.125 0.125 5 0 "[ . 1 .]" 1
263 1 42 ILE HA 1 42 ILE MD 3.300 . 4.800 4.124 4.117 4.132 . 0 0 "[ . 1 .]" 1
264 1 42 ILE HA 1 42 ILE MG 2.900 . 4.400 2.285 2.245 2.331 . 0 0 "[ . 1 .]" 1
265 1 42 ILE HA 1 43 ASN H 2.900 . 2.900 2.604 2.093 2.777 . 0 0 "[ . 1 .]" 1
266 1 42 ILE HB 1 43 ASN H 2.900 . 2.900 2.086 1.808 3.261 0.361 6 0 "[ . 1 .]" 1
267 1 42 ILE HB 1 78 VAL H 5.000 . 5.000 5.057 4.862 5.300 0.300 6 0 "[ . 1 .]" 1
268 1 42 ILE HB 1 78 VAL MG1 5.000 . 6.500 5.459 4.511 6.066 . 0 0 "[ . 1 .]" 1
269 1 42 ILE MD 1 47 LEU H 3.500 . 5.000 4.167 3.625 4.537 . 0 0 "[ . 1 .]" 1
270 1 42 ILE MD 1 47 LEU HA 2.900 . 4.400 3.614 2.965 4.018 . 0 0 "[ . 1 .]" 1
271 1 42 ILE MD 1 47 LEU QB 2.900 . 5.400 3.647 3.034 4.360 . 0 0 "[ . 1 .]" 1
272 1 42 ILE MD 1 47 LEU MD1 2.900 . 5.900 3.317 1.975 5.135 . 0 0 "[ . 1 .]" 1
273 1 42 ILE MD 1 50 CYS H 5.000 . 6.500 5.833 5.263 6.473 . 0 0 "[ . 1 .]" 1
274 1 42 ILE MD 1 50 CYS QB 3.300 . 5.800 4.371 3.749 5.018 . 0 0 "[ . 1 .]" 1
275 1 42 ILE MD 1 78 VAL HB 5.000 . 6.500 3.389 3.025 3.965 . 0 0 "[ . 1 .]" 1
276 1 42 ILE MD 1 78 VAL MG1 3.300 . 6.300 3.273 2.225 4.310 . 0 0 "[ . 1 .]" 1
277 1 42 ILE MD 1 78 VAL MG2 2.900 . 5.900 4.312 3.999 4.705 . 0 0 "[ . 1 .]" 1
278 1 42 ILE MD 1 83 PHE QD 3.300 . 6.700 3.636 2.354 3.990 . 0 0 "[ . 1 .]" 1
279 1 42 ILE MD 1 83 PHE QE 3.300 2.200 6.800 4.570 3.600 4.892 . 0 0 "[ . 1 .]" 1
280 1 42 ILE QG 1 43 ASN H 5.000 . 6.500 3.167 2.760 4.049 . 0 0 "[ . 1 .]" 1
281 1 42 ILE MG 1 43 ASN H 2.900 . 4.400 3.602 3.496 4.003 . 0 0 "[ . 1 .]" 1
282 1 42 ILE MG 1 46 ASP H 5.000 . 6.500 5.229 4.605 5.527 . 0 0 "[ . 1 .]" 1
283 1 42 ILE MG 1 46 ASP QB 5.000 . 7.500 4.166 2.800 5.076 . 0 0 "[ . 1 .]" 1
284 1 42 ILE MG 1 78 VAL H 5.000 . 6.500 5.200 5.063 5.356 . 0 0 "[ . 1 .]" 1
285 1 42 ILE MG 1 83 PHE QE 3.300 . 6.800 6.547 5.765 6.817 0.017 9 0 "[ . 1 .]" 1
286 1 43 ASN H 1 43 ASN QB 3.500 . 4.600 3.050 2.281 3.232 . 0 0 "[ . 1 .]" 1
287 1 43 ASN H 1 46 ASP H 5.000 . 5.000 3.867 3.075 4.948 . 0 0 "[ . 1 .]" 1
288 1 43 ASN HA 1 44 CYS H 5.000 . 5.000 2.578 2.437 2.702 . 0 0 "[ . 1 .]" 1
289 1 43 ASN QB 1 77 HIS H 3.500 . 4.500 4.461 4.079 4.668 0.168 14 0 "[ . 1 .]" 1
290 1 43 ASN QB 1 78 VAL H 2.900 . 3.900 4.068 3.900 4.197 0.297 11 0 "[ . 1 .]" 1
291 1 43 ASN QB 1 78 VAL MG2 3.300 . 5.800 4.229 3.641 4.967 . 0 0 "[ . 1 .]" 1
292 1 44 CYS HA 1 47 LEU QB 3.300 . 3.900 2.139 2.037 2.327 . 0 0 "[ . 1 .]" 1
293 1 44 CYS HA 1 47 LEU MD2 2.900 . 4.400 3.170 2.584 4.215 . 0 0 "[ . 1 .]" 1
294 1 44 CYS QB 1 47 LEU QB 3.300 . 5.300 3.455 3.105 3.833 . 0 0 "[ . 1 .]" 1
295 1 44 CYS QB 1 47 LEU QD 3.300 . 6.700 3.421 2.977 4.614 . 0 0 "[ . 1 .]" 1
296 1 44 CYS QB 1 67 SER QB 2.900 . 4.900 2.633 2.178 3.666 . 0 0 "[ . 1 .]" 1
297 1 44 CYS QB 1 68 GLN HA 3.300 . 4.300 4.436 4.203 4.639 0.339 9 0 "[ . 1 .]" 1
298 1 44 CYS QB 1 70 ILE MD 2.900 . 5.400 3.576 2.765 4.992 . 0 0 "[ . 1 .]" 1
299 1 44 CYS QB 1 70 ILE MG 2.900 . 5.400 3.229 2.491 4.133 . 0 0 "[ . 1 .]" 1
300 1 44 CYS QB 1 78 VAL MG2 3.300 . 5.800 3.907 3.264 5.019 . 0 0 "[ . 1 .]" 1
301 1 46 ASP H 1 46 ASP HA 2.900 . 2.900 2.919 2.892 2.944 0.044 4 0 "[ . 1 .]" 1
302 1 46 ASP H 1 47 LEU H 2.900 . 2.900 2.345 2.238 2.444 . 0 0 "[ . 1 .]" 1
303 1 46 ASP H 1 47 LEU MD2 5.000 . 6.500 5.971 4.927 6.116 . 0 0 "[ . 1 .]" 1
304 1 46 ASP H 1 48 GLY H 5.000 . 5.000 4.672 4.439 4.906 . 0 0 "[ . 1 .]" 1
305 1 46 ASP HA 1 47 LEU H 3.500 . 3.500 3.345 3.301 3.456 . 0 0 "[ . 1 .]" 1
306 1 46 ASP HA 1 48 GLY H 5.000 . 5.000 4.124 3.963 4.246 . 0 0 "[ . 1 .]" 1
307 1 46 ASP HA 1 49 ASN H 2.900 . 2.900 3.079 3.039 3.154 0.254 15 0 "[ . 1 .]" 1
308 1 46 ASP HA 1 49 ASN QB 2.900 . 3.900 2.498 2.279 2.786 . 0 0 "[ . 1 .]" 1
309 1 46 ASP HA 1 50 CYS H 5.000 . 5.000 4.229 3.932 4.743 . 0 0 "[ . 1 .]" 1
310 1 47 LEU H 1 47 LEU HA 2.900 . 2.900 2.785 2.737 2.818 . 0 0 "[ . 1 .]" 1
311 1 47 LEU H 1 47 LEU QB 2.900 . 3.900 2.229 2.130 2.267 . 0 0 "[ . 1 .]" 1
312 1 47 LEU H 1 48 GLY H 5.000 . 5.000 2.810 2.674 3.012 . 0 0 "[ . 1 .]" 1
313 1 47 LEU HA 1 47 LEU MD1 2.900 . 4.400 2.567 2.067 3.714 . 0 0 "[ . 1 .]" 1
314 1 47 LEU HA 1 50 CYS QB 2.900 . 3.900 3.198 2.388 3.939 0.039 13 0 "[ . 1 .]" 1
315 1 47 LEU QB 1 48 GLY H 3.500 . 4.600 2.398 2.249 2.607 . 0 0 "[ . 1 .]" 1
316 1 47 LEU QB 1 67 SER QB 2.900 . 4.900 4.229 3.355 4.935 0.035 2 0 "[ . 1 .]" 1
317 1 47 LEU QD 1 50 CYS QB 5.000 . 8.400 3.758 2.773 4.796 . 0 0 "[ . 1 .]" 1
318 1 47 LEU QD 1 67 SER QB 2.900 . 6.300 3.880 2.557 5.358 . 0 0 "[ . 1 .]" 1
319 1 47 LEU MD1 1 83 PHE QD 2.900 . 6.400 2.453 2.012 4.287 . 0 0 "[ . 1 .]" 1
320 1 47 LEU MD1 1 83 PHE QE 2.900 . 6.400 3.383 2.457 5.439 . 0 0 "[ . 1 .]" 1
321 1 47 LEU MD2 1 83 PHE QE 3.300 . 6.800 4.636 2.478 5.853 . 0 0 "[ . 1 .]" 1
322 1 48 GLY H 1 49 ASN H 2.900 . 2.900 2.624 2.452 2.779 . 0 0 "[ . 1 .]" 1
323 1 48 GLY H 1 63 LEU QD 3.500 . 6.000 4.430 3.942 5.453 . 0 0 "[ . 1 .]" 1
324 1 48 GLY QA 1 49 ASN H 2.900 . 3.900 2.807 2.710 2.930 . 0 0 "[ . 1 .]" 1
325 1 48 GLY QA 1 51 MET QB 2.900 . 4.900 3.049 2.501 3.813 . 0 0 "[ . 1 .]" 1
326 1 48 GLY QA 1 63 LEU MD2 2.900 . 5.400 3.061 2.123 4.568 . 0 0 "[ . 1 .]" 1
327 1 49 ASN H 1 49 ASN HA 2.900 . 2.900 2.877 2.816 2.943 0.043 2 0 "[ . 1 .]" 1
328 1 49 ASN H 1 50 CYS H 2.900 . 2.900 2.467 2.169 2.685 . 0 0 "[ . 1 .]" 1
329 1 49 ASN HA 1 50 CYS H 3.500 . 3.500 3.504 3.415 3.556 0.056 13 0 "[ . 1 .]" 1
330 1 49 ASN HA 1 52 ARG QB 2.900 . 3.900 3.222 2.743 3.956 0.056 1 0 "[ . 1 .]" 1
331 1 50 CYS H 1 50 CYS HA 2.900 . 2.900 2.858 2.798 2.906 0.006 1 0 "[ . 1 .]" 1
332 1 50 CYS H 1 50 CYS QB 2.900 . 3.900 2.321 2.202 2.600 . 0 0 "[ . 1 .]" 1
333 1 50 CYS H 1 51 MET H 2.900 . 2.900 2.550 2.371 2.791 . 0 0 "[ . 1 .]" 1
334 1 50 CYS H 1 51 MET QG 5.000 . 6.000 4.243 3.344 6.036 0.036 11 0 "[ . 1 .]" 1
335 1 50 CYS HA 1 51 MET H 5.000 . 5.000 3.527 3.489 3.569 . 0 0 "[ . 1 .]" 1
336 1 50 CYS HA 1 53 THR H 3.500 . 3.500 3.322 3.158 3.516 0.016 10 0 "[ . 1 .]" 1
337 1 50 CYS HA 1 53 THR HB 2.900 . 2.900 2.896 2.427 3.082 0.182 9 0 "[ . 1 .]" 1
338 1 50 CYS HA 1 53 THR MG 3.300 . 4.800 3.898 2.590 4.437 . 0 0 "[ . 1 .]" 1
339 1 51 MET H 1 51 MET HA 2.900 . 2.900 2.806 2.742 2.849 . 0 0 "[ . 1 .]" 1
340 1 51 MET H 1 51 MET QB 2.900 . 3.900 2.374 2.238 2.681 . 0 0 "[ . 1 .]" 1
341 1 51 MET H 1 51 MET QG 2.900 . 3.900 2.342 1.841 3.956 0.056 11 0 "[ . 1 .]" 1
342 1 51 MET H 1 52 ARG H 3.500 . 3.500 2.650 2.551 2.825 . 0 0 "[ . 1 .]" 1
343 1 51 MET H 1 52 ARG HA 5.000 . 5.000 5.242 5.161 5.343 0.343 12 0 "[ . 1 .]" 1
344 1 51 MET H 1 53 THR H 5.000 . 5.000 4.076 3.879 4.309 . 0 0 "[ . 1 .]" 1
345 1 51 MET HA 1 51 MET QG 3.300 . 4.800 2.603 2.245 3.421 . 0 0 "[ . 1 .]" 1
346 1 51 MET QB 1 52 ARG H 2.900 . 3.900 2.776 2.571 3.442 . 0 0 "[ . 1 .]" 1
347 1 51 MET QB 1 56 TYR H 2.900 . 3.900 3.583 2.509 4.199 0.299 9 0 "[ . 1 .]" 1
348 1 51 MET QB 1 56 TYR QD 5.000 . 8.000 4.870 2.816 6.833 . 0 0 "[ . 1 .]" 1
349 1 52 ARG H 1 52 ARG HA 2.900 . 2.900 2.833 2.754 2.932 0.032 13 0 "[ . 1 .]" 1
350 1 52 ARG H 1 52 ARG QB 2.900 . 3.900 2.317 2.209 2.555 . 0 0 "[ . 1 .]" 1
351 1 52 ARG H 1 53 THR H 3.500 . 3.500 2.533 2.169 2.753 . 0 0 "[ . 1 .]" 1
352 1 52 ARG H 1 54 MET H 5.000 . 5.000 4.255 3.887 4.468 . 0 0 "[ . 1 .]" 1
353 1 52 ARG HA 1 53 THR H 3.500 . 3.500 3.507 3.441 3.542 0.042 7 0 "[ . 1 .]" 1
354 1 52 ARG QB 1 53 THR H 2.900 . 3.900 2.783 2.545 3.635 . 0 0 "[ . 1 .]" 1
355 1 53 THR H 1 53 THR HA 2.900 . 2.900 2.808 2.709 2.862 . 0 0 "[ . 1 .]" 1
356 1 53 THR H 1 53 THR HB 2.900 . 2.900 2.466 2.143 2.739 . 0 0 "[ . 1 .]" 1
357 1 53 THR H 1 53 THR MG 2.900 . 4.400 3.534 2.698 3.742 . 0 0 "[ . 1 .]" 1
358 1 53 THR H 1 54 MET H 2.900 . 2.900 2.696 2.524 2.956 0.056 8 0 "[ . 1 .]" 1
359 1 53 THR H 1 55 GLY H 5.000 . 5.000 4.152 3.515 5.044 0.044 10 0 "[ . 1 .]" 1
360 1 53 THR HA 1 53 THR HB 2.900 . 2.900 2.949 2.655 3.026 0.126 11 0 "[ . 1 .]" 1
361 1 53 THR HA 1 53 THR HG1 2.900 . 4.400 2.352 2.007 2.906 . 0 0 "[ . 1 .]" 1
362 1 53 THR HG1 1 54 MET H 3.500 . 4.500 3.056 1.886 3.447 . 0 0 "[ . 1 .]" 1
363 1 53 THR HG1 1 55 GLY H 5.000 . 6.000 4.603 4.096 5.242 . 0 0 "[ . 1 .]" 1
364 1 54 MET H 1 54 MET HA 2.900 . 2.900 2.880 2.822 2.961 0.061 13 0 "[ . 1 .]" 1
365 1 54 MET H 1 55 GLY H 2.900 . 2.900 2.477 1.514 3.058 0.286 8 0 "[ . 1 .]" 1
366 1 54 MET H 1 56 TYR H 5.000 . 5.000 4.583 3.722 5.188 0.188 1 0 "[ . 1 .]" 1
367 1 54 MET HA 1 55 GLY H 3.500 . 3.500 2.958 2.398 3.372 . 0 0 "[ . 1 .]" 1
368 1 55 GLY H 1 56 TYR QB 5.000 . 6.000 4.808 3.344 5.691 . 0 0 "[ . 1 .]" 1
369 1 55 GLY QA 1 56 TYR H 3.500 . 4.500 2.428 2.099 2.909 . 0 0 "[ . 1 .]" 1
370 1 56 TYR H 1 56 TYR HA 2.900 . 2.900 2.818 2.305 2.967 0.067 8 0 "[ . 1 .]" 1
371 1 56 TYR H 1 56 TYR QB 2.900 . 3.900 2.603 2.230 3.314 . 0 0 "[ . 1 .]" 1
372 1 56 TYR H 1 56 TYR QD 3.500 . 5.500 3.899 1.870 4.411 . 0 0 "[ . 1 .]" 1
373 1 56 TYR H 1 56 TYR QE 5.000 . 7.000 5.849 4.005 6.447 . 0 0 "[ . 1 .]" 1
374 1 56 TYR HA 1 56 TYR QD 3.300 . 5.300 2.780 2.304 3.642 . 0 0 "[ . 1 .]" 1
375 1 56 TYR QD 1 58 PRO HA 5.000 . 7.000 3.628 2.681 5.064 . 0 0 "[ . 1 .]" 1
376 1 56 TYR QE 1 58 PRO HA 3.300 . 5.300 3.904 2.346 5.365 0.065 15 0 "[ . 1 .]" 1
377 1 56 TYR QE 1 59 THR H 5.000 . 7.000 5.466 4.361 7.024 0.024 15 0 "[ . 1 .]" 1
378 1 56 TYR QE 1 63 LEU QD 5.000 . 9.400 5.859 2.555 7.672 . 0 0 "[ . 1 .]" 1
379 1 58 PRO HA 1 59 THR MG 5.000 . 6.500 4.602 3.710 5.387 . 0 0 "[ . 1 .]" 1
380 1 58 PRO HA 1 63 LEU QD 5.000 . 7.400 5.060 2.213 6.463 . 0 0 "[ . 1 .]" 1
381 1 58 PRO QB 1 59 THR H 4.000 . 5.000 2.645 1.874 3.804 . 0 0 "[ . 1 .]" 1
382 1 58 PRO QB 1 63 LEU QD 2.900 . 6.300 3.780 1.934 6.418 0.118 6 0 "[ . 1 .]" 1
383 1 59 THR H 1 59 THR HB 2.900 . 3.900 3.352 2.903 3.669 . 0 0 "[ . 1 .]" 1
384 1 59 THR H 1 59 THR MG 2.900 . 4.400 2.980 2.095 3.706 . 0 0 "[ . 1 .]" 1
385 1 59 THR H 1 62 GLU H 5.000 . 5.000 3.924 3.041 4.322 . 0 0 "[ . 1 .]" 1
386 1 59 THR H 1 63 LEU H 5.000 . 5.000 4.699 4.142 5.465 0.465 13 0 "[ . 1 .]" 1
387 1 59 THR H 1 66 LEU QD 5.000 . 7.400 6.424 5.333 7.489 0.089 6 0 "[ . 1 .]" 1
388 1 59 THR HA 1 59 THR HB 2.900 . 2.900 2.713 2.350 2.983 0.083 7 0 "[ . 1 .]" 1
389 1 59 THR HA 1 60 GLU H 3.500 . 3.500 2.544 2.189 2.949 . 0 0 "[ . 1 .]" 1
390 1 59 THR HA 1 61 MET H 5.000 . 5.000 4.447 3.718 5.122 0.122 2 0 "[ . 1 .]" 1
391 1 59 THR HA 1 62 GLU H 5.000 . 5.000 4.579 4.231 4.874 . 0 0 "[ . 1 .]" 1
392 1 59 THR HA 1 62 GLU QB 5.000 . 6.000 4.279 3.842 5.246 . 0 0 "[ . 1 .]" 1
393 1 59 THR HB 1 60 GLU H 2.900 . 2.900 2.457 1.714 3.040 0.140 4 0 "[ . 1 .]" 1
394 1 59 THR HB 1 61 MET H 2.900 . 2.900 2.715 2.366 3.032 0.132 10 0 "[ . 1 .]" 1
395 1 59 THR HB 1 62 GLU H 3.500 . 3.500 2.917 2.185 3.569 0.069 9 0 "[ . 1 .]" 1
396 1 59 THR HG1 1 60 GLU H 3.500 . 4.600 2.706 1.752 3.853 0.048 2 0 "[ . 1 .]" 1
397 1 59 THR HG1 1 61 MET H 5.000 . 6.000 3.201 2.461 3.753 . 0 0 "[ . 1 .]" 1
398 1 59 THR HG1 1 62 GLU H 3.500 . 4.500 2.886 1.860 3.843 . 0 0 "[ . 1 .]" 1
399 1 59 THR MG 1 62 GLU QB 3.300 . 5.800 3.892 2.972 4.618 . 0 0 "[ . 1 .]" 1
400 1 60 GLU H 1 60 GLU QB 2.900 . 3.900 2.455 2.298 2.890 . 0 0 "[ . 1 .]" 1
401 1 60 GLU H 1 61 MET H 5.000 . 5.000 2.520 2.303 2.880 . 0 0 "[ . 1 .]" 1
402 1 60 GLU HA 1 61 MET H 3.500 . 3.500 3.503 3.379 3.558 0.058 10 0 "[ . 1 .]" 1
403 1 61 MET H 1 61 MET HA 2.900 . 2.900 2.888 2.806 2.913 0.013 3 0 "[ . 1 .]" 1
404 1 61 MET H 1 61 MET QB 2.900 . 3.900 2.328 2.098 2.399 . 0 0 "[ . 1 .]" 1
405 1 61 MET H 1 61 MET QG 2.900 . 3.900 2.726 2.222 3.973 0.073 2 0 "[ . 1 .]" 1
406 1 61 MET H 1 62 GLU H 2.900 . 2.900 2.397 2.286 2.670 . 0 0 "[ . 1 .]" 1
407 1 61 MET H 1 63 LEU H 5.000 . 5.000 4.194 3.681 4.876 . 0 0 "[ . 1 .]" 1
408 1 61 MET H 1 63 LEU QD 5.000 . 7.400 5.767 4.029 6.463 . 0 0 "[ . 1 .]" 1
409 1 61 MET HA 1 62 GLU H 3.500 . 3.500 3.435 3.325 3.516 0.016 4 0 "[ . 1 .]" 1
410 1 61 MET HA 1 64 ILE H 2.900 . 2.900 3.173 3.058 3.320 0.420 10 0 "[ . 1 .]" 1
411 1 61 MET HA 1 64 ILE HB 2.900 . 2.900 2.378 2.070 2.818 . 0 0 "[ . 1 .]" 1
412 1 61 MET HA 1 64 ILE MD 2.900 . 4.400 2.815 2.328 3.781 . 0 0 "[ . 1 .]" 1
413 1 61 MET HA 1 64 ILE MG 2.900 . 4.400 3.794 3.441 4.152 . 0 0 "[ . 1 .]" 1
414 1 61 MET HA 1 65 GLU H 3.500 . 3.500 3.296 2.725 3.691 0.191 12 0 "[ . 1 .]" 1
415 1 61 MET QG 1 64 ILE MD 3.300 . 5.800 3.840 3.131 4.766 . 0 0 "[ . 1 .]" 1
416 1 61 MET HG2 1 64 ILE MG 3.300 . 5.800 5.144 3.972 5.801 0.001 11 0 "[ . 1 .]" 1
417 1 62 GLU H 1 62 GLU HA 2.900 . 2.900 2.857 2.801 2.907 0.007 2 0 "[ . 1 .]" 1
418 1 62 GLU H 1 62 GLU QB 2.900 . 3.900 2.263 2.075 2.367 . 0 0 "[ . 1 .]" 1
419 1 62 GLU HA 1 65 GLU QB 2.900 . 3.900 3.061 2.721 3.650 . 0 0 "[ . 1 .]" 1
420 1 63 LEU H 1 63 LEU HA 2.900 . 2.900 2.889 2.814 2.946 0.046 4 0 "[ . 1 .]" 1
421 1 63 LEU H 1 63 LEU QD 2.900 . 5.300 3.285 1.641 3.814 0.159 7 0 "[ . 1 .]" 1
422 1 63 LEU H 1 64 ILE H 2.900 . 2.900 2.376 2.120 2.649 . 0 0 "[ . 1 .]" 1
423 1 63 LEU HA 1 63 LEU MD2 2.900 . 4.400 3.090 2.106 3.804 . 0 0 "[ . 1 .]" 1
424 1 63 LEU HA 1 64 ILE H 3.500 . 3.500 3.456 3.331 3.534 0.034 3 0 "[ . 1 .]" 1
425 1 63 LEU HA 1 66 LEU QB 2.900 . 3.900 3.078 2.337 3.599 . 0 0 "[ . 1 .]" 1
426 1 63 LEU QB 1 63 LEU MD2 2.900 . 5.400 2.163 2.094 2.327 . 0 0 "[ . 1 .]" 1
427 1 64 ILE H 1 64 ILE HA 2.900 . 2.900 2.929 2.879 2.952 0.052 7 0 "[ . 1 .]" 1
428 1 64 ILE H 1 64 ILE HB 2.900 . 2.900 2.400 2.282 2.462 . 0 0 "[ . 1 .]" 1
429 1 64 ILE H 1 64 ILE QG 2.900 . 3.900 2.605 2.323 3.729 . 0 0 "[ . 1 .]" 1
430 1 64 ILE H 1 64 ILE MG 2.900 . 4.400 3.735 3.593 3.771 . 0 0 "[ . 1 .]" 1
431 1 64 ILE H 1 66 LEU H 3.500 . 3.500 3.678 3.432 3.868 0.368 9 0 "[ . 1 .]" 1
432 1 64 ILE HA 1 64 ILE MG 2.900 . 4.400 2.377 2.304 2.617 . 0 0 "[ . 1 .]" 1
433 1 64 ILE HA 1 65 GLU H 3.500 . 3.500 3.524 3.462 3.574 0.074 11 0 "[ . 1 .]" 1
434 1 64 ILE HA 1 67 SER QB 2.900 . 3.900 3.203 2.456 3.965 0.065 12 0 "[ . 1 .]" 1
435 1 64 ILE MG 1 65 GLU H 2.900 . 4.400 3.197 2.423 3.701 . 0 0 "[ . 1 .]" 1
436 1 65 GLU H 1 65 GLU HA 2.900 . 2.900 2.830 2.710 2.939 0.039 12 0 "[ . 1 .]" 1
437 1 65 GLU H 1 66 LEU H 2.900 . 2.900 2.583 2.171 2.895 . 0 0 "[ . 1 .]" 1
438 1 65 GLU HA 1 68 GLN QB 2.900 . 3.900 3.022 2.376 3.471 . 0 0 "[ . 1 .]" 1
439 1 66 LEU H 1 66 LEU HA 2.900 . 2.900 2.857 2.828 2.898 . 0 0 "[ . 1 .]" 1
440 1 66 LEU H 1 66 LEU QB 2.900 . 3.900 2.250 2.153 2.389 . 0 0 "[ . 1 .]" 1
441 1 66 LEU H 1 66 LEU QD 3.500 . 6.000 3.043 1.784 3.753 0.016 4 0 "[ . 1 .]" 1
442 1 66 LEU HA 1 69 GLN QB 2.900 . 3.900 2.433 2.182 2.710 . 0 0 "[ . 1 .]" 1
443 1 66 LEU QB 1 66 LEU MD2 2.900 . 5.400 2.163 2.086 2.379 . 0 0 "[ . 1 .]" 1
444 1 66 LEU QB 1 67 SER H 2.900 . 3.900 2.306 1.882 2.676 . 0 0 "[ . 1 .]" 1
445 1 67 SER H 1 68 GLN H 2.900 . 2.900 2.923 2.524 3.028 0.128 5 0 "[ . 1 .]" 1
446 1 67 SER H 1 70 ILE MG 6.000 . 7.500 6.459 5.859 6.695 . 0 0 "[ . 1 .]" 1
447 1 67 SER HA 1 70 ILE H 3.500 . 3.500 3.590 3.293 3.789 0.289 11 0 "[ . 1 .]" 1
448 1 67 SER HA 1 70 ILE HB 2.900 . 2.900 3.014 2.640 3.148 0.248 11 0 "[ . 1 .]" 1
449 1 67 SER HA 1 70 ILE MG 2.900 . 4.400 4.341 3.751 4.471 0.071 3 0 "[ . 1 .]" 1
450 1 67 SER QB 1 70 ILE MD 3.300 . 5.800 4.376 3.836 6.054 0.254 12 0 "[ . 1 .]" 1
451 1 68 GLN H 1 68 GLN QB 2.900 . 3.900 2.361 2.247 2.508 . 0 0 "[ . 1 .]" 1
452 1 68 GLN H 1 70 ILE MG 5.000 . 6.500 6.387 5.902 6.555 0.055 3 0 "[ . 1 .]" 1
453 1 68 GLN HA 1 71 ASN H 2.900 . 2.900 3.176 3.009 3.330 0.430 8 0 "[ . 1 .]" 1
454 1 68 GLN HA 1 71 ASN QB 3.300 . 4.300 2.401 2.182 2.919 . 0 0 "[ . 1 .]" 1
455 1 69 GLN H 1 69 GLN HA 2.900 . 2.900 2.811 2.702 2.904 0.004 8 0 "[ . 1 .]" 1
456 1 69 GLN H 1 70 ILE H 2.900 . 2.900 2.733 2.366 3.032 0.132 11 0 "[ . 1 .]" 1
457 1 69 GLN H 1 70 ILE MG 5.000 . 6.500 5.874 5.605 6.126 . 0 0 "[ . 1 .]" 1
458 1 69 GLN H 1 71 ASN H 5.000 . 5.000 4.012 3.799 4.257 . 0 0 "[ . 1 .]" 1
459 1 70 ILE H 1 70 ILE HA 2.900 . 2.900 2.822 2.797 2.850 . 0 0 "[ . 1 .]" 1
460 1 70 ILE H 1 70 ILE MD 2.900 . 4.400 3.497 3.392 4.017 . 0 0 "[ . 1 .]" 1
461 1 70 ILE H 1 70 ILE QG 2.900 . 3.900 2.282 2.202 2.636 . 0 0 "[ . 1 .]" 1
462 1 70 ILE H 1 70 ILE MG 2.900 . 4.400 3.737 3.692 3.754 . 0 0 "[ . 1 .]" 1
463 1 70 ILE HA 1 70 ILE MD 2.900 . 4.400 3.698 2.284 3.811 . 0 0 "[ . 1 .]" 1
464 1 70 ILE HA 1 70 ILE MG 2.900 . 4.400 2.420 2.376 2.557 . 0 0 "[ . 1 .]" 1
465 1 70 ILE HA 1 71 ASN H 3.500 . 3.500 3.545 3.528 3.568 0.068 7 0 "[ . 1 .]" 1
466 1 70 ILE HB 1 70 ILE MD 2.900 . 4.400 2.361 2.227 3.153 . 0 0 "[ . 1 .]" 1
467 1 70 ILE MD 1 78 VAL HB 3.300 . 4.800 4.887 4.611 5.091 0.291 10 0 "[ . 1 .]" 1
468 1 70 ILE MD 1 86 LEU HG 2.900 . 4.400 3.334 2.283 4.461 0.061 9 0 "[ . 1 .]" 1
469 1 70 ILE QG 1 71 ASN H 3.500 . 5.100 4.140 4.079 4.221 . 0 0 "[ . 1 .]" 1
470 1 70 ILE MG 1 71 ASN H 2.900 . 4.400 3.291 3.012 3.431 . 0 0 "[ . 1 .]" 1
471 1 70 ILE MG 1 76 GLY H 3.500 . 5.000 4.053 2.894 5.127 0.127 15 0 "[ . 1 .]" 1
472 1 70 ILE MG 1 77 HIS H 2.900 . 4.400 3.732 2.880 4.567 0.167 6 0 "[ . 1 .]" 1
473 1 70 ILE MG 1 77 HIS HA 5.000 . 6.500 5.021 4.528 5.438 . 0 0 "[ . 1 .]" 1
474 1 70 ILE MG 1 78 VAL MG1 2.900 . 5.900 3.589 2.703 4.148 . 0 0 "[ . 1 .]" 1
475 1 71 ASN H 1 71 ASN HA 2.900 . 2.900 2.802 2.754 2.843 . 0 0 "[ . 1 .]" 1
476 1 71 ASN H 1 71 ASN QB 2.900 . 3.900 2.278 2.212 2.425 . 0 0 "[ . 1 .]" 1
477 1 71 ASN H 1 72 MET H 2.900 . 2.900 2.745 2.529 2.953 0.053 7 0 "[ . 1 .]" 1
478 1 71 ASN HA 1 75 GLY H 5.000 . 5.000 3.895 2.800 4.882 . 0 0 "[ . 1 .]" 1
479 1 71 ASN QB 1 72 MET H 3.500 . 4.500 2.549 2.248 2.866 . 0 0 "[ . 1 .]" 1
480 1 72 MET H 1 72 MET HA 2.900 . 2.900 2.872 2.784 2.968 0.068 7 0 "[ . 1 .]" 1
481 1 72 MET H 1 72 MET QB 2.900 . 3.900 2.345 2.221 2.428 . 0 0 "[ . 1 .]" 1
482 1 72 MET H 1 72 MET QG 3.500 . 4.500 2.861 2.132 4.055 . 0 0 "[ . 1 .]" 1
483 1 72 MET QB 1 73 ASN H 2.900 . 3.900 2.476 1.857 4.035 0.135 7 0 "[ . 1 .]" 1
484 1 73 ASN H 1 73 ASN QB 2.900 . 3.900 2.460 2.205 3.238 . 0 0 "[ . 1 .]" 1
485 1 73 ASN H 1 74 LEU H 3.500 . 3.500 3.120 2.344 3.810 0.310 8 0 "[ . 1 .]" 1
486 1 73 ASN HA 1 74 LEU H 3.500 . 3.500 3.450 2.566 3.561 0.061 5 0 "[ . 1 .]" 1
487 1 73 ASN QB 1 74 LEU H 3.500 . 4.500 2.244 1.735 3.905 0.065 9 0 "[ . 1 .]" 1
488 1 73 ASN QB 1 74 LEU MD1 3.300 . 5.800 4.292 2.077 5.700 . 0 0 "[ . 1 .]" 1
489 1 73 ASN QB 1 74 LEU MD2 2.900 . 5.400 3.837 2.006 5.511 0.111 15 0 "[ . 1 .]" 1
490 1 73 ASN QB 1 75 GLY H 5.000 . 6.000 4.643 3.454 6.084 0.084 15 0 "[ . 1 .]" 1
491 1 74 LEU H 1 74 LEU MD2 2.900 . 4.400 3.362 1.709 4.318 0.091 2 0 "[ . 1 .]" 1
492 1 74 LEU H 1 75 GLY H 3.500 . 3.500 2.963 2.425 3.636 0.136 15 0 "[ . 1 .]" 1
493 1 74 LEU HA 1 74 LEU MD1 3.300 . 4.800 3.081 2.096 4.114 . 0 0 "[ . 1 .]" 1
494 1 74 LEU HA 1 74 LEU MD2 2.900 . 4.400 2.537 2.110 3.798 . 0 0 "[ . 1 .]" 1
495 1 74 LEU HA 1 75 GLY H 3.500 . 3.500 3.353 2.167 3.561 0.061 1 0 "[ . 1 .]" 1
496 1 74 LEU QB 1 74 LEU MD2 2.900 . 5.400 2.213 2.107 2.323 . 0 0 "[ . 1 .]" 1
497 1 74 LEU MD1 1 77 HIS QB 3.300 . 5.800 4.245 2.332 5.616 . 0 0 "[ . 1 .]" 1
498 1 74 LEU MD1 1 78 VAL HA 3.300 . 4.800 3.770 2.609 4.886 0.086 14 0 "[ . 1 .]" 1
499 1 75 GLY H 1 76 GLY H 5.000 . 5.000 2.414 1.634 4.631 0.166 4 0 "[ . 1 .]" 1
500 1 75 GLY H 1 78 VAL MG2 5.000 . 6.500 5.813 4.955 6.695 0.195 15 0 "[ . 1 .]" 1
501 1 75 GLY QA 1 76 GLY H 5.000 . 6.000 2.748 2.215 2.906 . 0 0 "[ . 1 .]" 1
502 1 76 GLY H 1 77 HIS H 3.500 . 3.500 2.386 1.745 3.835 0.335 15 0 "[ . 1 .]" 1
503 1 76 GLY H 1 78 VAL MG2 5.000 . 6.500 4.938 4.167 5.969 . 0 0 "[ . 1 .]" 1
504 1 76 GLY QA 1 77 HIS H 3.500 . 4.500 2.659 2.377 2.883 . 0 0 "[ . 1 .]" 1
505 1 77 HIS H 1 77 HIS HA 2.900 . 2.900 2.898 2.880 2.948 0.048 11 0 "[ . 1 .]" 1
506 1 77 HIS H 1 77 HIS QB 3.500 . 4.500 2.934 2.452 3.279 . 0 0 "[ . 1 .]" 1
507 1 77 HIS H 1 78 VAL H 5.000 . 5.000 4.227 3.935 4.628 . 0 0 "[ . 1 .]" 1
508 1 77 HIS H 1 78 VAL MG2 3.500 . 5.000 3.541 3.011 4.329 . 0 0 "[ . 1 .]" 1
509 1 77 HIS HA 1 78 VAL H 2.900 . 2.900 2.224 2.141 2.372 . 0 0 "[ . 1 .]" 1
510 1 77 HIS QB 1 78 VAL H 3.500 . 4.500 2.981 2.494 3.478 . 0 0 "[ . 1 .]" 1
511 1 78 VAL H 1 78 VAL HB 2.900 . 2.900 2.763 2.601 2.906 0.006 6 0 "[ . 1 .]" 1
512 1 78 VAL H 1 78 VAL MG2 2.900 . 4.400 2.867 2.511 3.441 . 0 0 "[ . 1 .]" 1
513 1 78 VAL HA 1 78 VAL MG1 2.900 . 4.400 2.376 2.221 2.683 . 0 0 "[ . 1 .]" 1
514 1 78 VAL HA 1 78 VAL MG2 2.900 . 4.400 2.365 2.191 2.503 . 0 0 "[ . 1 .]" 1
515 1 78 VAL HA 1 79 ASP H 2.900 . 2.900 2.154 2.137 2.178 . 0 0 "[ . 1 .]" 1
516 1 78 VAL HA 1 82 ASP H 5.000 . 5.000 4.986 4.681 5.068 0.068 8 0 "[ . 1 .]" 1
517 1 78 VAL MG1 1 79 ASP H 3.500 . 5.000 2.588 2.400 2.824 . 0 0 "[ . 1 .]" 1
518 1 78 VAL MG1 1 81 ASP H 5.000 . 6.500 4.900 4.736 5.057 . 0 0 "[ . 1 .]" 1
519 1 78 VAL MG1 1 83 PHE H 2.900 . 4.400 2.524 2.285 3.064 . 0 0 "[ . 1 .]" 1
520 1 78 VAL MG1 1 83 PHE HA 2.900 . 4.400 2.650 2.326 2.906 . 0 0 "[ . 1 .]" 1
521 1 78 VAL MG1 1 83 PHE QB 2.900 . 5.400 2.342 2.052 2.600 . 0 0 "[ . 1 .]" 1
522 1 78 VAL MG1 1 83 PHE QE 5.000 . 8.500 5.427 4.951 5.875 . 0 0 "[ . 1 .]" 1
523 1 78 VAL MG1 1 84 VAL H 5.000 . 6.500 4.589 4.351 4.877 . 0 0 "[ . 1 .]" 1
524 1 78 VAL MG2 1 79 ASP H 3.500 . 5.000 3.993 3.475 4.256 . 0 0 "[ . 1 .]" 1
525 1 78 VAL MG2 1 83 PHE QD 3.300 . 6.800 5.129 4.529 5.494 . 0 0 "[ . 1 .]" 1
526 1 78 VAL MG2 1 83 PHE QE 5.000 . 8.500 6.811 6.130 7.228 . 0 0 "[ . 1 .]" 1
527 1 79 ASP H 1 79 ASP QB 2.900 . 3.900 2.469 2.335 2.816 . 0 0 "[ . 1 .]" 1
528 1 79 ASP H 1 80 PHE H 5.000 . 5.000 4.564 4.533 4.590 . 0 0 "[ . 1 .]" 1
529 1 79 ASP H 1 81 ASP H 5.000 . 5.000 4.409 4.221 4.512 . 0 0 "[ . 1 .]" 1
530 1 79 ASP H 1 82 ASP H 3.500 . 3.500 3.188 2.995 3.266 . 0 0 "[ . 1 .]" 1
531 1 79 ASP H 1 82 ASP HA 5.000 . 5.000 4.930 4.621 5.052 0.052 12 0 "[ . 1 .]" 1
532 1 79 ASP HA 1 80 PHE H 2.900 . 2.900 2.269 2.226 2.325 . 0 0 "[ . 1 .]" 1
533 1 79 ASP HA 1 81 ASP H 3.500 . 3.500 3.897 3.799 3.961 0.461 14 0 "[ . 1 .]" 1
534 1 79 ASP HA 1 82 ASP H 5.000 . 5.000 4.513 4.409 4.626 . 0 0 "[ . 1 .]" 1
535 1 79 ASP QB 1 80 PHE H 2.900 . 3.900 2.854 2.534 3.451 . 0 0 "[ . 1 .]" 1
536 1 79 ASP QB 1 81 ASP H 2.900 . 3.900 2.560 2.391 2.803 . 0 0 "[ . 1 .]" 1
537 1 79 ASP QB 1 82 ASP H 2.900 . 3.900 2.800 2.518 3.714 . 0 0 "[ . 1 .]" 1
538 1 80 PHE H 1 80 PHE HA 2.900 . 2.900 2.725 2.708 2.740 . 0 0 "[ . 1 .]" 1
539 1 80 PHE H 1 80 PHE QB 2.900 . 3.900 2.277 2.264 2.287 . 0 0 "[ . 1 .]" 1
540 1 80 PHE H 1 81 ASP H 2.900 . 2.900 2.844 2.799 2.888 . 0 0 "[ . 1 .]" 1
541 1 80 PHE HA 1 81 ASP H 3.500 . 3.500 3.482 3.454 3.508 0.008 14 0 "[ . 1 .]" 1
542 1 80 PHE QB 1 81 ASP H 2.900 . 3.900 2.914 2.833 3.025 . 0 0 "[ . 1 .]" 1
543 1 80 PHE QD 1 81 ASP H 3.500 . 5.500 4.051 3.795 4.312 . 0 0 "[ . 1 .]" 1
544 1 80 PHE QD 1 83 PHE QE 3.300 . 7.300 4.123 3.482 5.028 . 0 0 "[ . 1 .]" 1
545 1 80 PHE QD 1 84 VAL H 5.000 . 7.000 4.581 4.354 4.879 . 0 0 "[ . 1 .]" 1
546 1 80 PHE QD 1 84 VAL MG2 3.300 . 6.800 3.014 2.870 3.271 . 0 0 "[ . 1 .]" 1
547 1 80 PHE QE 1 81 ASP H 5.000 . 7.000 5.861 5.710 6.140 . 0 0 "[ . 1 .]" 1
548 1 80 PHE QE 1 84 VAL H 3.500 . 5.500 5.151 4.961 5.501 0.001 7 0 "[ . 1 .]" 1
549 1 80 PHE QE 1 84 VAL MG2 2.900 . 6.400 2.542 2.337 2.750 . 0 0 "[ . 1 .]" 1
550 1 80 PHE HZ 1 84 VAL MG2 2.900 . 4.400 2.695 2.476 2.822 . 0 0 "[ . 1 .]" 1
551 1 81 ASP H 1 81 ASP HA 2.900 . 2.900 2.877 2.858 2.896 . 0 0 "[ . 1 .]" 1
552 1 81 ASP H 1 81 ASP QB 2.900 . 3.900 2.333 2.254 2.694 . 0 0 "[ . 1 .]" 1
553 1 81 ASP H 1 82 ASP H 2.900 . 2.900 2.563 2.484 2.625 . 0 0 "[ . 1 .]" 1
554 1 81 ASP H 1 82 ASP HA 5.000 . 5.000 5.178 5.130 5.233 0.233 13 0 "[ . 1 .]" 1
555 1 81 ASP H 1 83 PHE QB 3.500 . 4.500 4.450 4.339 4.532 0.032 8 0 "[ . 1 .]" 1
556 1 81 ASP H 1 84 VAL HB 5.000 . 5.000 5.149 5.075 5.221 0.221 4 0 "[ . 1 .]" 1
557 1 81 ASP H 1 84 VAL MG2 5.000 . 6.500 4.870 4.759 5.022 . 0 0 "[ . 1 .]" 1
558 1 81 ASP HA 1 84 VAL HB 2.900 . 2.900 2.860 2.786 2.929 0.029 12 0 "[ . 1 .]" 1
559 1 81 ASP HA 1 84 VAL MG2 2.900 . 4.400 3.638 3.551 3.739 . 0 0 "[ . 1 .]" 1
560 1 82 ASP H 1 82 ASP HA 2.900 . 2.900 2.818 2.805 2.839 . 0 0 "[ . 1 .]" 1
561 1 82 ASP H 1 85 GLU QB 3.500 . 4.500 4.566 4.446 4.640 0.140 7 0 "[ . 1 .]" 1
562 1 82 ASP HA 1 84 VAL H 5.000 . 5.000 4.458 3.912 4.775 . 0 0 "[ . 1 .]" 1
563 1 82 ASP HA 1 85 GLU QB 2.900 . 3.900 2.407 2.284 2.853 . 0 0 "[ . 1 .]" 1
564 1 82 ASP HA 1 86 LEU H 3.500 . 3.500 3.571 3.436 3.638 0.138 9 0 "[ . 1 .]" 1
565 1 83 PHE H 1 83 PHE HA 2.900 . 2.900 2.833 2.808 2.929 0.029 5 0 "[ . 1 .]" 1
566 1 83 PHE H 1 83 PHE QB 2.900 . 3.900 2.206 2.130 2.286 . 0 0 "[ . 1 .]" 1
567 1 83 PHE H 1 84 VAL H 2.900 . 2.900 2.649 2.288 2.739 . 0 0 "[ . 1 .]" 1
568 1 83 PHE H 1 84 VAL MG1 5.000 . 6.500 5.826 5.520 5.909 . 0 0 "[ . 1 .]" 1
569 1 83 PHE H 1 84 VAL MG2 5.000 . 6.500 4.394 4.113 4.493 . 0 0 "[ . 1 .]" 1
570 1 83 PHE H 1 85 GLU H 5.000 . 5.000 4.037 3.687 4.187 . 0 0 "[ . 1 .]" 1
571 1 83 PHE H 1 86 LEU QB 5.000 . 6.000 4.798 4.552 4.955 . 0 0 "[ . 1 .]" 1
572 1 83 PHE HA 1 83 PHE QD 3.300 . 5.300 2.485 2.305 3.057 . 0 0 "[ . 1 .]" 1
573 1 83 PHE HA 1 86 LEU QB 2.900 . 3.900 3.019 2.724 3.267 . 0 0 "[ . 1 .]" 1
574 1 83 PHE QB 1 84 VAL H 2.900 . 3.900 2.575 2.448 2.974 . 0 0 "[ . 1 .]" 1
575 1 83 PHE QD 1 84 VAL MG2 2.900 . 6.400 2.439 2.263 2.717 . 0 0 "[ . 1 .]" 1
576 1 83 PHE QE 1 84 VAL MG2 3.300 . 6.800 3.490 2.895 3.840 . 0 0 "[ . 1 .]" 1
577 1 84 VAL H 1 84 VAL HA 2.900 . 2.900 2.853 2.833 2.923 0.023 7 0 "[ . 1 .]" 1
578 1 84 VAL H 1 84 VAL HB 2.900 . 2.900 2.357 2.309 2.383 . 0 0 "[ . 1 .]" 1
579 1 84 VAL H 1 84 VAL MG1 2.900 . 4.400 3.724 3.689 3.735 . 0 0 "[ . 1 .]" 1
580 1 84 VAL H 1 84 VAL MG2 2.900 . 4.400 2.370 2.295 2.693 . 0 0 "[ . 1 .]" 1
581 1 84 VAL H 1 85 GLU H 2.900 . 2.900 2.577 2.303 2.639 . 0 0 "[ . 1 .]" 1
582 1 84 VAL H 1 85 GLU QB 3.500 . 4.500 4.379 4.185 4.501 0.001 3 0 "[ . 1 .]" 1
583 1 84 VAL H 1 86 LEU H 5.000 . 5.000 4.188 3.849 4.462 . 0 0 "[ . 1 .]" 1
584 1 84 VAL HA 1 84 VAL MG1 2.900 . 4.400 2.417 2.382 2.466 . 0 0 "[ . 1 .]" 1
585 1 84 VAL HA 1 84 VAL MG2 2.900 . 4.400 2.310 2.222 2.345 . 0 0 "[ . 1 .]" 1
586 1 84 VAL HA 1 85 GLU H 3.500 . 3.600 3.545 3.537 3.553 . 0 0 "[ . 1 .]" 1
587 1 84 VAL HA 1 86 LEU H 5.000 . 5.000 4.616 4.443 4.878 . 0 0 "[ . 1 .]" 1
588 1 84 VAL HA 1 87 MET QB 2.900 . 3.900 2.564 2.288 2.882 . 0 0 "[ . 1 .]" 1
589 1 84 VAL HA 1 88 GLY H 5.000 . 5.000 4.232 3.694 4.905 . 0 0 "[ . 1 .]" 1
590 1 84 VAL MG2 1 85 GLU H 3.500 . 5.000 3.937 3.899 3.993 . 0 0 "[ . 1 .]" 1
591 1 84 VAL MG2 1 86 LEU H 6.000 . 7.500 5.579 5.394 5.808 . 0 0 "[ . 1 .]" 1
592 1 85 GLU H 1 85 GLU HA 2.900 . 2.900 2.808 2.790 2.825 . 0 0 "[ . 1 .]" 1
593 1 85 GLU H 1 85 GLU QB 2.900 . 3.900 2.267 2.165 2.326 . 0 0 "[ . 1 .]" 1
594 1 85 GLU H 1 86 LEU H 2.900 . 2.900 2.742 2.639 2.886 . 0 0 "[ . 1 .]" 1
595 1 85 GLU HA 1 86 LEU H 3.500 . 3.500 3.548 3.522 3.568 0.068 11 0 "[ . 1 .]" 1
596 1 85 GLU HA 1 88 GLY H 5.000 . 5.000 3.587 3.310 3.857 . 0 0 "[ . 1 .]" 1
597 1 85 GLU QB 1 86 LEU H 2.900 . 3.900 2.441 2.193 2.669 . 0 0 "[ . 1 .]" 1
598 1 85 GLU QB 1 88 GLY H 5.000 . 6.000 4.908 4.665 5.156 . 0 0 "[ . 1 .]" 1
599 1 86 LEU H 1 86 LEU HA 2.900 . 2.900 2.820 2.791 2.841 . 0 0 "[ . 1 .]" 1
600 1 86 LEU H 1 86 LEU QB 2.900 . 3.900 2.192 2.142 2.324 . 0 0 "[ . 1 .]" 1
601 1 86 LEU H 1 87 MET H 2.900 . 2.900 2.639 2.584 2.713 . 0 0 "[ . 1 .]" 1
602 1 86 LEU H 1 88 GLY H 5.000 . 5.000 4.095 3.810 4.307 . 0 0 "[ . 1 .]" 1
603 1 86 LEU HA 1 86 LEU MD2 2.900 . 4.400 2.712 2.116 3.808 . 0 0 "[ . 1 .]" 1
604 1 86 LEU HA 1 87 MET H 3.500 . 3.500 3.519 3.480 3.549 0.049 13 0 "[ . 1 .]" 1
605 1 86 LEU QB 1 87 MET H 2.900 . 3.900 2.607 2.490 2.751 . 0 0 "[ . 1 .]" 1
606 1 86 LEU MD1 1 87 MET H 2.900 . 4.400 4.200 3.584 4.605 0.205 5 0 "[ . 1 .]" 1
607 1 87 MET H 1 88 GLY QA 5.000 . 6.000 4.508 4.331 4.670 . 0 0 "[ . 1 .]" 1
608 1 88 GLY H 1 89 PRO QD 5.000 . 7.000 3.546 2.099 4.341 . 0 0 "[ . 1 .]" 1
609 1 88 GLY QA 1 91 LEU H 5.000 . 6.000 5.253 3.010 6.068 0.068 11 0 "[ . 1 .]" 1
610 1 89 PRO HA 1 90 LYS H 5.000 . 5.000 2.890 2.209 3.575 . 0 0 "[ . 1 .]" 1
611 1 90 LYS H 1 91 LEU H 2.900 . 2.900 2.492 1.800 2.729 . 0 0 "[ . 1 .]" 1
612 1 90 LYS H 1 91 LEU QB 3.500 . 4.500 4.371 4.015 4.665 0.165 14 0 "[ . 1 .]" 1
613 1 90 LYS H 1 91 LEU QD 2.900 . 5.300 4.221 2.379 5.353 0.053 15 0 "[ . 1 .]" 1
614 1 91 LEU H 1 91 LEU QB 2.900 . 3.900 2.478 2.165 3.118 . 0 0 "[ . 1 .]" 1
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