NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617179 |
5x3c   |
36056 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5x3c
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 655
_Distance_constraint_stats_list.Viol_count 284
_Distance_constraint_stats_list.Viol_total 87.767
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0155
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 0.344 0.058 12 0 "[ . 1 . 2]"
1 2 GLN 0.335 0.041 7 0 "[ . 1 . 2]"
1 3 SER 0.167 0.065 12 0 "[ . 1 . 2]"
1 4 HIS 0.176 0.065 12 0 "[ . 1 . 2]"
1 5 ALA 0.009 0.009 1 0 "[ . 1 . 2]"
1 6 GLY 0.204 0.041 7 0 "[ . 1 . 2]"
1 7 GLN 0.571 0.044 8 0 "[ . 1 . 2]"
1 8 CYS 0.561 0.049 17 0 "[ . 1 . 2]"
1 9 GLY 0.747 0.062 19 0 "[ . 1 . 2]"
1 10 GLY 0.653 0.062 19 0 "[ . 1 . 2]"
1 11 ILE 0.133 0.055 13 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 0.406 0.055 13 0 "[ . 1 . 2]"
1 14 SER 0.173 0.031 12 0 "[ . 1 . 2]"
1 15 GLY 0.228 0.031 12 0 "[ . 1 . 2]"
1 16 PRO 0.524 0.058 12 0 "[ . 1 . 2]"
1 17 THR 0.524 0.062 19 0 "[ . 1 . 2]"
1 18 VAL 0.057 0.019 7 0 "[ . 1 . 2]"
1 19 CYS 0.108 0.021 3 0 "[ . 1 . 2]"
1 20 ALA 0.072 0.067 16 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 0.488 0.058 12 0 "[ . 1 . 2]"
1 24 THR 0.253 0.027 3 0 "[ . 1 . 2]"
1 25 CYS 0.057 0.019 7 0 "[ . 1 . 2]"
1 26 GLN 0.398 0.041 16 0 "[ . 1 . 2]"
1 27 VAL 0.314 0.041 16 0 "[ . 1 . 2]"
1 28 LEU 0.213 0.033 4 0 "[ . 1 . 2]"
1 29 ASN 0.317 0.038 18 0 "[ . 1 . 2]"
1 30 PRO 0.155 0.026 9 0 "[ . 1 . 2]"
1 31 TYR 0.170 0.026 9 0 "[ . 1 . 2]"
1 32 TYR 0.525 0.062 19 0 "[ . 1 . 2]"
1 33 SER 0.276 0.037 19 0 "[ . 1 . 2]"
1 34 GLN 0.299 0.042 7 0 "[ . 1 . 2]"
1 35 CYS 0.141 0.038 18 0 "[ . 1 . 2]"
1 36 LEU 0.730 0.058 12 0 "[ . 1 . 2]"
2 1 MAN 0.239 0.067 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 1 THR HA 1 1 THR HB 2.650 . 3.500 2.917 2.540 3.050 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR HA 1 1 THR MG 3.150 . 3.500 2.362 2.270 3.230 . 0 0 "[ . 1 . 2]" 1
3 1 1 THR HA 1 2 GLN H 3.650 . 5.500 2.345 2.150 2.542 . 0 0 "[ . 1 . 2]" 1
4 1 1 THR HA 1 2 GLN HB2 3.150 . 4.500 4.054 3.232 4.314 . 0 0 "[ . 1 . 2]" 1
5 1 1 THR HA 1 16 PRO HA 2.650 . 3.500 3.464 3.107 3.558 0.058 12 0 "[ . 1 . 2]" 1
6 1 1 THR HA 1 16 PRO HB2 2.650 . 2.800 2.281 2.246 2.329 . 0 0 "[ . 1 . 2]" 1
7 1 1 THR HA 1 16 PRO HG2 3.650 . 5.500 4.889 3.309 5.452 . 0 0 "[ . 1 . 2]" 1
8 1 1 THR HA 1 16 PRO HG3 2.650 . 3.500 2.662 2.613 2.683 . 0 0 "[ . 1 . 2]" 1
9 1 1 THR HA 1 18 VAL MG1 2.300 . 2.800 2.027 1.926 2.118 . 0 0 "[ . 1 . 2]" 1
10 1 1 THR HB 1 2 GLN H 2.300 . 2.800 2.095 1.900 2.170 . 0 0 "[ . 1 . 2]" 1
11 1 1 THR HB 1 18 VAL MG1 2.300 . 2.800 2.389 2.289 2.429 . 0 0 "[ . 1 . 2]" 1
12 1 1 THR HB 1 20 ALA H 2.650 . 3.500 2.747 2.468 2.853 . 0 0 "[ . 1 . 2]" 1
13 1 1 THR HB 1 20 ALA MB 2.300 . 2.800 2.112 2.013 2.141 . 0 0 "[ . 1 . 2]" 1
14 1 1 THR MG 1 2 GLN H 3.650 . 5.500 2.755 2.004 3.647 . 0 0 "[ . 1 . 2]" 1
15 1 1 THR MG 1 18 VAL H 3.650 . 5.500 3.951 3.840 4.202 . 0 0 "[ . 1 . 2]" 1
16 1 1 THR MG 1 18 VAL QG 3.150 . 4.500 2.205 1.866 3.852 . 0 0 "[ . 1 . 2]" 1
17 1 1 THR MG 1 21 SER H 3.650 . 5.500 4.078 3.653 4.653 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLN H 1 2 GLN HA 2.650 . 3.500 2.577 2.548 2.601 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLN H 1 2 GLN HB2 3.150 . 4.500 2.608 2.396 2.985 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLN H 1 16 PRO HB2 2.300 . 2.800 2.424 2.229 2.511 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLN H 1 16 PRO HB2 2.650 . 3.500 1.827 1.767 1.861 0.033 4 0 "[ . 1 . 2]" 1
22 1 2 GLN H 1 16 PRO HG2 3.650 . 5.500 3.645 3.365 3.776 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLN H 1 18 VAL MG1 2.650 . 3.500 2.560 2.356 2.804 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLN H 1 19 CYS HB3 3.150 . 4.500 3.547 3.461 3.583 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLN HA 1 2 GLN HB3 2.650 . 3.500 3.027 2.999 3.041 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLN HA 1 2 GLN HB3 2.300 . 2.800 2.698 2.687 2.709 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLN HA 1 2 GLN HG3 3.150 . 4.500 3.041 2.864 3.171 . 0 0 "[ . 1 . 2]" 1
28 1 2 GLN HA 1 3 SER H 2.300 . 2.800 2.093 1.964 2.219 . 0 0 "[ . 1 . 2]" 1
29 1 2 GLN HA 1 16 PRO HB2 2.650 . 3.500 2.950 2.867 3.020 . 0 0 "[ . 1 . 2]" 1
30 1 2 GLN HB2 1 2 GLN HG2 2.300 . 2.800 2.432 2.403 2.511 . 0 0 "[ . 1 . 2]" 1
31 1 2 GLN HB2 1 3 SER H 3.650 . 5.500 4.151 3.995 4.380 . 0 0 "[ . 1 . 2]" 1
32 1 2 GLN HB2 1 16 PRO HA 3.150 . 4.500 3.773 3.685 3.835 . 0 0 "[ . 1 . 2]" 1
33 1 2 GLN HB2 1 25 CYS HA 4.150 . 6.500 5.562 5.478 5.626 . 0 0 "[ . 1 . 2]" 1
34 1 2 GLN HB3 1 2 GLN HG2 2.650 . 2.800 2.433 2.382 2.461 . 0 0 "[ . 1 . 2]" 1
35 1 2 GLN HB3 1 8 CYS HA 3.650 . 5.500 3.054 2.860 3.315 . 0 0 "[ . 1 . 2]" 1
36 1 2 GLN HB3 1 35 CYS HB2 3.150 . 4.500 3.394 3.194 3.583 . 0 0 "[ . 1 . 2]" 1
37 1 2 GLN HE21 1 2 GLN HG2 3.150 . 4.500 2.283 2.150 2.897 . 0 0 "[ . 1 . 2]" 1
38 1 2 GLN HE21 1 16 PRO HG2 3.650 . 5.500 3.839 2.328 5.532 0.032 1 0 "[ . 1 . 2]" 1
39 1 2 GLN HE22 1 2 GLN HG2 3.650 . 5.500 3.501 3.444 3.775 . 0 0 "[ . 1 . 2]" 1
40 1 2 GLN HE22 1 7 GLN H 3.650 . 5.500 3.672 3.111 4.760 . 0 0 "[ . 1 . 2]" 1
41 1 2 GLN HE22 1 7 GLN HG2 4.150 . 6.500 5.986 5.449 6.519 0.019 10 0 "[ . 1 . 2]" 1
42 1 2 GLN HG2 1 6 GLY HA2 3.650 . 5.500 4.871 4.619 5.288 . 0 0 "[ . 1 . 2]" 1
43 1 2 GLN HG2 1 7 GLN H 3.650 . 5.500 4.009 3.719 4.587 . 0 0 "[ . 1 . 2]" 1
44 1 2 GLN HG2 1 8 CYS H 2.650 . 3.500 3.140 2.988 3.229 . 0 0 "[ . 1 . 2]" 1
45 1 2 GLN HG2 1 8 CYS HA 3.150 . 4.500 2.235 1.973 2.645 . 0 0 "[ . 1 . 2]" 1
46 1 2 GLN HG2 1 13 TYR QE 3.650 . 5.500 4.609 4.180 5.027 . 0 0 "[ . 1 . 2]" 1
47 1 2 GLN HG2 1 35 CYS H 3.650 . 5.500 4.258 3.908 4.622 . 0 0 "[ . 1 . 2]" 1
48 1 2 GLN HG3 1 3 SER H 3.150 . 4.500 2.653 2.331 3.150 . 0 0 "[ . 1 . 2]" 1
49 1 2 GLN HG3 1 6 GLY HA2 3.150 . 4.500 4.451 4.178 4.541 0.041 7 0 "[ . 1 . 2]" 1
50 1 2 GLN HG3 1 6 GLY HA3 3.150 . 4.500 2.802 2.524 2.885 . 0 0 "[ . 1 . 2]" 1
51 1 3 SER H 1 3 SER HB2 3.150 . 4.500 2.498 2.032 2.929 . 0 0 "[ . 1 . 2]" 1
52 1 3 SER H 1 3 SER HB3 2.650 . 3.500 2.311 1.863 2.719 . 0 0 "[ . 1 . 2]" 1
53 1 3 SER H 2 1 MAN H5 3.650 . 5.500 4.500 2.548 5.565 0.065 12 0 "[ . 1 . 2]" 1
54 1 3 SER H 2 1 MAN H1 3.650 . 5.500 4.408 3.862 5.224 . 0 0 "[ . 1 . 2]" 1
55 1 3 SER HA 1 3 SER HB2 2.300 . 2.800 2.313 2.187 2.432 . 0 0 "[ . 1 . 2]" 1
56 1 3 SER HA 1 3 SER HB3 2.650 . 3.500 2.599 2.351 3.031 . 0 0 "[ . 1 . 2]" 1
57 1 3 SER HA 1 3 SER HB3 2.650 . 3.500 2.572 2.348 2.977 . 0 0 "[ . 1 . 2]" 1
58 1 3 SER HA 1 20 ALA MB 3.150 . 3.500 2.665 2.204 3.039 . 0 0 "[ . 1 . 2]" 1
59 1 3 SER HB2 1 20 ALA H 4.150 . 6.500 5.446 4.282 6.265 . 0 0 "[ . 1 . 2]" 1
60 1 3 SER HB2 2 1 MAN H1 . . 3.500 2.522 2.294 3.027 . 0 0 "[ . 1 . 2]" 1
61 1 3 SER HB3 2 1 MAN H1 3.150 . 3.500 2.786 2.383 3.125 . 0 0 "[ . 1 . 2]" 1
62 1 3 SER HB3 2 1 MAN H1 2.300 . 2.800 2.455 2.192 2.763 . 0 0 "[ . 1 . 2]" 1
63 1 3 SER HB3 2 1 MAN H5 2.300 . 2.800 2.538 2.206 2.753 . 0 0 "[ . 1 . 2]" 1
64 1 4 HIS H 1 4 HIS QB 2.650 . 3.500 2.233 2.183 2.284 . 0 0 "[ . 1 . 2]" 1
65 1 4 HIS HA 1 4 HIS QB 2.650 . 2.800 2.381 2.334 2.418 . 0 0 "[ . 1 . 2]" 1
66 1 4 HIS HA 1 4 HIS HD2 3.150 . 4.500 3.032 2.659 3.246 . 0 0 "[ . 1 . 2]" 1
67 1 4 HIS HA 1 5 ALA H 2.300 . 2.800 2.140 2.060 2.248 . 0 0 "[ . 1 . 2]" 1
68 1 4 HIS HA 1 5 ALA MB 3.150 . 4.500 3.951 3.834 4.040 . 0 0 "[ . 1 . 2]" 1
69 1 4 HIS HA 1 23 THR MG 2.650 . 3.500 2.731 2.151 3.304 . 0 0 "[ . 1 . 2]" 1
70 1 4 HIS HA 1 34 GLN HE22 3.650 . 5.500 4.666 4.442 4.761 . 0 0 "[ . 1 . 2]" 1
71 1 4 HIS HA 1 35 CYS HB2 3.150 . 4.500 2.552 2.238 2.956 . 0 0 "[ . 1 . 2]" 1
72 1 4 HIS HA 1 35 CYS HB3 3.650 . 4.500 3.316 3.095 3.541 . 0 0 "[ . 1 . 2]" 1
73 1 4 HIS QB 1 4 HIS HD2 3.150 . 4.500 2.859 2.764 3.010 . 0 0 "[ . 1 . 2]" 1
74 1 4 HIS QB 1 5 ALA H 3.650 . 5.500 3.684 3.590 3.794 . 0 0 "[ . 1 . 2]" 1
75 1 4 HIS QB 1 5 ALA MB 3.650 . 5.500 3.668 3.447 3.757 . 0 0 "[ . 1 . 2]" 1
76 1 4 HIS QB 1 23 THR MG 3.150 . 4.500 2.098 1.930 2.293 . 0 0 "[ . 1 . 2]" 1
77 1 4 HIS HD2 1 5 ALA H 3.650 . 5.500 3.680 2.892 4.074 . 0 0 "[ . 1 . 2]" 1
78 1 4 HIS HD2 1 5 ALA MB 3.650 . 5.500 4.967 4.260 5.509 0.009 1 0 "[ . 1 . 2]" 1
79 1 4 HIS HD2 1 23 THR HB 3.650 . 5.500 3.764 3.020 4.465 . 0 0 "[ . 1 . 2]" 1
80 1 4 HIS HD2 1 23 THR MG 3.650 . 4.500 2.532 2.014 3.683 . 0 0 "[ . 1 . 2]" 1
81 1 4 HIS HD2 1 36 LEU HA 3.150 . 4.500 2.182 1.973 2.869 . 0 0 "[ . 1 . 2]" 1
82 1 4 HIS HD2 1 36 LEU MD2 3.650 . 5.500 2.955 2.319 3.654 . 0 0 "[ . 1 . 2]" 1
83 1 4 HIS HE1 1 5 ALA MB 3.150 . 4.500 3.736 3.121 4.499 . 0 0 "[ . 1 . 2]" 1
84 1 4 HIS HE1 1 36 LEU MD2 3.650 . 5.500 3.615 3.092 4.144 . 0 0 "[ . 1 . 2]" 1
85 1 4 HIS HE1 1 36 LEU MD2 3.650 . 5.500 3.906 3.161 5.167 . 0 0 "[ . 1 . 2]" 1
86 1 5 ALA H 1 5 ALA HA 2.650 . 3.500 2.221 2.193 2.237 . 0 0 "[ . 1 . 2]" 1
87 1 5 ALA H 1 5 ALA MB 2.650 . 3.500 2.986 2.913 3.047 . 0 0 "[ . 1 . 2]" 1
88 1 5 ALA H 1 35 CYS HB3 3.650 . 5.500 4.251 3.885 4.672 . 0 0 "[ . 1 . 2]" 1
89 1 5 ALA H 1 35 CYS HB2 3.650 . 4.500 3.187 2.782 3.763 . 0 0 "[ . 1 . 2]" 1
90 1 5 ALA H 1 36 LEU MD2 3.650 . 5.500 3.192 2.754 3.695 . 0 0 "[ . 1 . 2]" 1
91 1 5 ALA HA 1 6 GLY H 2.650 . 3.500 2.911 2.046 3.276 . 0 0 "[ . 1 . 2]" 1
92 1 5 ALA HA 1 6 GLY H 2.650 . 3.500 2.047 1.862 2.165 . 0 0 "[ . 1 . 2]" 1
93 1 5 ALA HA 1 35 CYS HB2 3.150 . 4.500 3.647 3.480 3.783 . 0 0 "[ . 1 . 2]" 1
94 1 5 ALA HA 1 34 GLN HE21 3.650 . 5.500 3.425 1.900 4.271 . 0 0 "[ . 1 . 2]" 1
95 1 5 ALA HA 1 34 GLN HE22 3.650 . 5.500 3.605 2.600 4.533 . 0 0 "[ . 1 . 2]" 1
96 1 5 ALA HA 1 34 GLN QG 3.150 . 3.500 2.343 1.899 3.445 . 0 0 "[ . 1 . 2]" 1
97 1 5 ALA HA 1 35 CYS H 3.650 . 5.500 4.306 3.624 5.002 . 0 0 "[ . 1 . 2]" 1
98 1 5 ALA HA 1 36 LEU MD2 3.150 . 4.500 3.554 3.071 4.384 . 0 0 "[ . 1 . 2]" 1
99 1 5 ALA MB 1 6 GLY H 3.150 . 4.500 3.478 3.334 3.647 . 0 0 "[ . 1 . 2]" 1
100 1 5 ALA MB 1 34 GLN HE21 3.650 . 5.500 4.195 3.148 5.327 . 0 0 "[ . 1 . 2]" 1
101 1 5 ALA MB 1 34 GLN HE22 3.650 . 5.500 3.871 2.840 4.779 . 0 0 "[ . 1 . 2]" 1
102 1 6 GLY H 1 6 GLY HA3 2.650 . 3.500 2.445 2.302 2.856 . 0 0 "[ . 1 . 2]" 1
103 1 6 GLY H 1 7 GLN HA 3.650 . 5.500 4.695 4.027 5.029 . 0 0 "[ . 1 . 2]" 1
104 1 6 GLY H 1 35 CYS HB2 2.650 . 3.500 2.641 2.458 2.868 . 0 0 "[ . 1 . 2]" 1
105 1 6 GLY H 1 35 CYS HB3 3.650 . 5.500 4.629 4.386 5.235 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLY HA2 1 7 GLN H 2.650 . 3.500 2.329 2.178 2.479 . 0 0 "[ . 1 . 2]" 1
107 1 6 GLY HA3 1 7 GLN H 2.650 . 3.500 2.864 2.705 3.039 . 0 0 "[ . 1 . 2]" 1
108 1 6 GLY HA3 1 35 CYS H 3.650 . 5.500 4.341 4.205 4.579 . 0 0 "[ . 1 . 2]" 1
109 1 7 GLN H 1 7 GLN HB2 2.650 . 3.500 2.689 2.559 2.825 . 0 0 "[ . 1 . 2]" 1
110 1 7 GLN H 1 7 GLN HB3 2.650 . 3.500 2.496 2.431 2.564 . 0 0 "[ . 1 . 2]" 1
111 1 7 GLN HA 1 7 GLN HB2 2.650 . 2.800 2.462 2.435 2.529 . 0 0 "[ . 1 . 2]" 1
112 1 7 GLN HA 1 7 GLN HG2 3.150 . 3.500 3.203 3.022 3.274 . 0 0 "[ . 1 . 2]" 1
113 1 7 GLN HA 1 7 GLN HG3 2.650 . 2.800 2.581 2.521 2.658 . 0 0 "[ . 1 . 2]" 1
114 1 7 GLN HA 1 8 CYS H 2.300 . 2.800 2.078 2.036 2.111 . 0 0 "[ . 1 . 2]" 1
115 1 7 GLN HA 1 9 GLY H 2.650 . 3.500 2.721 2.473 2.823 . 0 0 "[ . 1 . 2]" 1
116 1 7 GLN HA 1 33 SER HB2 3.150 . 4.500 3.776 3.600 3.924 . 0 0 "[ . 1 . 2]" 1
117 1 7 GLN HA 1 33 SER H 3.150 . 4.500 3.507 3.204 3.830 . 0 0 "[ . 1 . 2]" 1
118 1 7 GLN HA 1 32 TYR QD 3.650 . 5.500 4.546 4.093 4.937 . 0 0 "[ . 1 . 2]" 1
119 1 7 GLN HA 1 32 TYR QE 3.150 . 4.500 3.924 3.513 4.471 . 0 0 "[ . 1 . 2]" 1
120 1 7 GLN HA 1 34 GLN HA 2.300 . 2.800 2.592 2.369 2.840 0.040 12 0 "[ . 1 . 2]" 1
121 1 7 GLN HA 1 35 CYS H 3.650 . 5.500 4.071 3.804 4.493 . 0 0 "[ . 1 . 2]" 1
122 1 7 GLN HB2 1 7 GLN HG3 2.300 . 2.800 2.291 2.270 2.318 . 0 0 "[ . 1 . 2]" 1
123 1 7 GLN HB2 1 8 CYS H 3.650 . 5.500 4.328 4.270 4.387 . 0 0 "[ . 1 . 2]" 1
124 1 7 GLN HB2 1 9 GLY H 4.150 . 6.500 5.391 4.721 5.586 . 0 0 "[ . 1 . 2]" 1
125 1 7 GLN HB2 1 13 TYR QE 4.150 . 6.500 5.279 4.809 5.751 . 0 0 "[ . 1 . 2]" 1
126 1 7 GLN HB2 1 13 TYR QE 3.650 . 5.500 4.592 4.047 5.095 . 0 0 "[ . 1 . 2]" 1
127 1 7 GLN HB2 1 32 TYR QD 3.650 . 4.500 3.270 2.588 4.122 . 0 0 "[ . 1 . 2]" 1
128 1 7 GLN HB2 1 32 TYR QE 2.650 . 3.500 2.535 2.102 3.104 . 0 0 "[ . 1 . 2]" 1
129 1 7 GLN HB3 1 13 TYR QD 3.650 . 5.500 3.341 2.795 3.789 . 0 0 "[ . 1 . 2]" 1
130 1 7 GLN HB3 1 7 GLN HG2 2.650 . 2.800 2.402 2.366 2.438 . 0 0 "[ . 1 . 2]" 1
131 1 7 GLN HB3 1 7 GLN HG3 2.650 . 3.500 3.024 3.008 3.037 . 0 0 "[ . 1 . 2]" 1
132 1 7 GLN HB3 1 8 CYS H 3.650 . 5.500 3.904 3.583 4.023 . 0 0 "[ . 1 . 2]" 1
133 1 7 GLN HB3 1 9 GLY H 3.650 . 5.500 5.140 4.475 5.380 . 0 0 "[ . 1 . 2]" 1
134 1 7 GLN HB3 1 13 TYR QD 3.650 . 5.500 4.220 3.598 5.382 . 0 0 "[ . 1 . 2]" 1
135 1 7 GLN HB3 1 13 TYR QE 3.150 . 4.500 3.758 3.260 4.143 . 0 0 "[ . 1 . 2]" 1
136 1 7 GLN HE21 1 13 TYR H 3.150 . 4.500 3.688 3.260 4.243 . 0 0 "[ . 1 . 2]" 1
137 1 7 GLN HE21 1 7 GLN HG2 2.650 . 3.500 2.355 2.217 3.046 . 0 0 "[ . 1 . 2]" 1
138 1 7 GLN HE21 1 7 GLN HG3 2.650 . 3.500 2.842 2.311 2.951 . 0 0 "[ . 1 . 2]" 1
139 1 7 GLN HE21 1 31 TYR HB2 3.650 . 5.500 5.297 4.578 5.519 0.019 7 0 "[ . 1 . 2]" 1
140 1 7 GLN HE21 1 9 GLY H 3.650 . 5.500 4.536 3.851 4.958 . 0 0 "[ . 1 . 2]" 1
141 1 7 GLN HE21 1 10 GLY H 2.650 . 3.500 2.238 2.050 2.705 . 0 0 "[ . 1 . 2]" 1
142 1 7 GLN HE21 1 10 GLY HA2 3.650 . 5.500 4.813 4.090 5.526 0.026 13 0 "[ . 1 . 2]" 1
143 1 7 GLN HE21 1 10 GLY HA3 3.650 . 5.500 3.414 2.596 4.538 . 0 0 "[ . 1 . 2]" 1
144 1 7 GLN HE21 1 13 TYR HB2 3.150 . 4.500 2.249 1.798 3.481 0.002 3 0 "[ . 1 . 2]" 1
145 1 7 GLN HE21 1 13 TYR HB3 3.150 . 4.500 3.307 2.617 4.510 0.010 13 0 "[ . 1 . 2]" 1
146 1 7 GLN HE21 1 32 TYR HA 3.150 . 4.500 3.784 2.629 4.233 . 0 0 "[ . 1 . 2]" 1
147 1 7 GLN HE21 1 32 TYR QB 3.650 . 5.500 4.652 4.060 4.893 . 0 0 "[ . 1 . 2]" 1
148 1 7 GLN HE22 1 13 TYR H 3.650 . 5.500 3.977 3.639 4.222 . 0 0 "[ . 1 . 2]" 1
149 1 7 GLN HE22 1 7 GLN HG2 3.150 . 4.500 3.155 3.016 3.305 . 0 0 "[ . 1 . 2]" 1
150 1 7 GLN HE22 1 7 GLN HG2 3.150 . 4.500 3.428 3.351 3.690 . 0 0 "[ . 1 . 2]" 1
151 1 7 GLN HE22 1 7 GLN HG3 2.650 . 3.500 3.162 2.913 3.366 . 0 0 "[ . 1 . 2]" 1
152 1 7 GLN HE22 1 13 TYR H 3.150 . 4.500 3.640 3.414 3.797 . 0 0 "[ . 1 . 2]" 1
153 1 7 GLN HE22 1 10 GLY HA3 3.150 . 3.500 3.203 2.324 3.521 0.021 16 0 "[ . 1 . 2]" 1
154 1 7 GLN HE22 1 10 GLY H 3.650 . 5.500 3.359 2.942 3.605 . 0 0 "[ . 1 . 2]" 1
155 1 7 GLN HE22 1 10 GLY H 3.650 . 5.500 3.301 3.132 3.487 . 0 0 "[ . 1 . 2]" 1
156 1 7 GLN HE22 1 13 TYR HB2 2.300 . 2.800 2.346 2.184 2.510 . 0 0 "[ . 1 . 2]" 1
157 1 7 GLN HE22 1 13 TYR HB2 2.300 . 2.800 2.091 2.027 2.146 . 0 0 "[ . 1 . 2]" 1
158 1 7 GLN HE22 1 32 TYR HA 2.650 . 3.500 2.595 2.466 2.765 . 0 0 "[ . 1 . 2]" 1
159 1 7 GLN HG2 1 8 CYS H 3.150 . 4.500 3.597 3.306 3.749 . 0 0 "[ . 1 . 2]" 1
160 1 7 GLN HG2 1 8 CYS HA 3.650 . 5.500 4.525 4.406 4.641 . 0 0 "[ . 1 . 2]" 1
161 1 7 GLN HG2 1 9 GLY H 2.650 . 3.500 3.254 2.536 3.505 0.005 8 0 "[ . 1 . 2]" 1
162 1 7 GLN HG2 1 13 TYR QD 3.650 . 5.500 3.583 3.318 4.107 . 0 0 "[ . 1 . 2]" 1
163 1 7 GLN HG2 1 13 TYR QE 3.650 . 4.500 4.087 3.723 4.513 0.013 7 0 "[ . 1 . 2]" 1
164 1 7 GLN HG2 1 32 TYR QE 3.650 . 5.500 5.195 4.790 5.502 0.002 2 0 "[ . 1 . 2]" 1
165 1 7 GLN HG2 1 33 SER H 3.650 . 5.500 3.658 3.250 3.978 . 0 0 "[ . 1 . 2]" 1
166 1 7 GLN HG3 1 9 GLY H 2.650 . 3.500 3.456 2.739 3.544 0.044 8 0 "[ . 1 . 2]" 1
167 1 7 GLN HG3 1 10 GLY H 2.650 . 3.500 2.435 2.349 2.550 . 0 0 "[ . 1 . 2]" 1
168 1 7 GLN HG3 1 13 TYR QD 3.650 . 5.500 4.902 4.660 5.366 . 0 0 "[ . 1 . 2]" 1
169 1 7 GLN HG3 1 32 TYR HA 2.300 . 2.800 2.444 2.209 2.779 . 0 0 "[ . 1 . 2]" 1
170 1 7 GLN HG3 1 32 TYR HA 2.650 . 3.500 2.927 2.485 3.236 . 0 0 "[ . 1 . 2]" 1
171 1 7 GLN HG3 1 32 TYR QE 3.650 . 4.500 4.121 3.673 4.424 . 0 0 "[ . 1 . 2]" 1
172 1 7 GLN HG3 1 33 SER H 3.150 . 4.500 2.220 2.105 2.382 . 0 0 "[ . 1 . 2]" 1
173 1 8 CYS H 1 8 CYS HB2 3.650 . 5.500 3.585 3.527 3.617 . 0 0 "[ . 1 . 2]" 1
174 1 8 CYS H 1 8 CYS HB2 3.150 . 4.500 3.346 3.296 3.384 . 0 0 "[ . 1 . 2]" 1
175 1 8 CYS H 1 8 CYS HB3 2.300 . 2.800 2.300 2.225 2.393 . 0 0 "[ . 1 . 2]" 1
176 1 8 CYS H 1 9 GLY H 2.300 . 2.800 2.469 2.359 2.613 . 0 0 "[ . 1 . 2]" 1
177 1 8 CYS H 1 9 GLY HA3 3.150 . 4.500 3.800 3.708 3.953 . 0 0 "[ . 1 . 2]" 1
178 1 8 CYS H 1 13 TYR QD 3.150 . 4.500 4.147 4.065 4.225 . 0 0 "[ . 1 . 2]" 1
179 1 8 CYS H 1 33 SER HB2 2.650 . 3.500 2.412 2.366 2.453 . 0 0 "[ . 1 . 2]" 1
180 1 8 CYS H 1 33 SER H 3.650 . 4.500 3.672 3.578 3.763 . 0 0 "[ . 1 . 2]" 1
181 1 8 CYS H 1 33 SER HB3 3.650 . 5.500 4.252 4.136 4.441 . 0 0 "[ . 1 . 2]" 1
182 1 8 CYS HA 1 8 CYS HB2 2.650 . 2.800 2.485 2.433 2.580 . 0 0 "[ . 1 . 2]" 1
183 1 8 CYS HA 1 8 CYS HB3 2.300 . 2.800 2.356 2.301 2.397 . 0 0 "[ . 1 . 2]" 1
184 1 8 CYS HA 1 9 GLY H 3.150 . 4.500 3.528 3.392 3.569 . 0 0 "[ . 1 . 2]" 1
185 1 8 CYS HA 1 13 TYR QD 3.650 . 5.500 4.537 4.329 4.747 . 0 0 "[ . 1 . 2]" 1
186 1 8 CYS HA 1 13 TYR QD 3.150 . 4.500 3.123 2.717 3.367 . 0 0 "[ . 1 . 2]" 1
187 1 8 CYS HA 1 13 TYR QE 2.650 . 3.500 3.452 3.125 3.519 0.019 13 0 "[ . 1 . 2]" 1
188 1 8 CYS HA 1 17 THR MG 3.650 . 4.500 3.716 3.267 4.171 . 0 0 "[ . 1 . 2]" 1
189 1 8 CYS HA 1 17 THR HA 2.650 . 3.500 3.273 2.961 3.479 . 0 0 "[ . 1 . 2]" 1
190 1 8 CYS HA 1 17 THR MG 3.150 . 4.500 4.434 4.223 4.523 0.023 7 0 "[ . 1 . 2]" 1
191 1 8 CYS HB2 1 9 GLY H 3.650 . 5.500 3.653 3.376 4.015 . 0 0 "[ . 1 . 2]" 1
192 1 8 CYS HB2 1 17 THR HA 3.150 . 3.500 3.316 2.592 3.549 0.049 17 0 "[ . 1 . 2]" 1
193 1 8 CYS HB2 1 17 THR HB 3.650 . 5.500 4.384 3.996 4.703 . 0 0 "[ . 1 . 2]" 1
194 1 8 CYS HB2 1 17 THR MG 3.650 . 5.500 4.456 4.122 4.663 . 0 0 "[ . 1 . 2]" 1
195 1 8 CYS HB2 1 19 CYS H 3.150 . 4.500 3.562 3.477 3.648 . 0 0 "[ . 1 . 2]" 1
196 1 8 CYS HB2 1 25 CYS HB2 2.650 . 3.500 2.709 2.504 2.934 . 0 0 "[ . 1 . 2]" 1
197 1 8 CYS HB3 1 17 THR HA 3.650 . 4.500 3.964 3.695 4.119 . 0 0 "[ . 1 . 2]" 1
198 1 8 CYS HB3 1 9 GLY H 3.650 . 5.500 3.834 3.749 3.959 . 0 0 "[ . 1 . 2]" 1
199 1 8 CYS HB3 1 26 GLN H 3.650 . 5.500 3.902 3.779 4.032 . 0 0 "[ . 1 . 2]" 1
200 1 8 CYS HB3 1 13 TYR QE 3.650 . 4.500 4.253 4.189 4.295 . 0 0 "[ . 1 . 2]" 1
201 1 8 CYS HB3 1 25 CYS HA 2.650 . 3.500 2.879 2.800 2.951 . 0 0 "[ . 1 . 2]" 1
202 1 8 CYS HB3 1 35 CYS H 3.650 . 5.500 3.487 3.030 3.812 . 0 0 "[ . 1 . 2]" 1
203 1 9 GLY H 1 9 GLY HA3 2.650 . 3.500 2.805 2.707 2.925 . 0 0 "[ . 1 . 2]" 1
204 1 9 GLY H 1 10 GLY H 3.650 . 5.500 3.194 2.502 3.643 . 0 0 "[ . 1 . 2]" 1
205 1 9 GLY H 1 13 TYR QD 3.150 . 4.500 4.301 3.927 4.512 0.012 5 0 "[ . 1 . 2]" 1
206 1 9 GLY H 1 33 SER HB2 2.650 . 3.500 1.973 1.819 2.231 . 0 0 "[ . 1 . 2]" 1
207 1 9 GLY H 1 33 SER HB3 3.650 . 5.500 3.425 3.144 3.776 . 0 0 "[ . 1 . 2]" 1
208 1 9 GLY HA2 1 10 GLY H 2.300 . 2.800 2.214 2.059 2.568 . 0 0 "[ . 1 . 2]" 1
209 1 9 GLY HA2 1 13 TYR HB3 3.150 . 4.500 2.486 1.939 3.473 . 0 0 "[ . 1 . 2]" 1
210 1 9 GLY HA2 1 13 TYR QD 2.650 . 2.800 2.244 1.957 2.602 . 0 0 "[ . 1 . 2]" 1
211 1 9 GLY HA2 1 13 TYR QE 3.650 . 4.500 3.977 3.671 4.350 . 0 0 "[ . 1 . 2]" 1
212 1 9 GLY HA2 1 17 THR MG 3.650 . 4.500 2.705 2.244 3.627 . 0 0 "[ . 1 . 2]" 1
213 1 9 GLY HA2 1 33 SER HB2 3.150 . 4.500 4.108 3.758 4.350 . 0 0 "[ . 1 . 2]" 1
214 1 9 GLY HA3 1 13 TYR HB3 3.150 . 4.500 3.474 2.765 3.817 . 0 0 "[ . 1 . 2]" 1
215 1 9 GLY HA3 1 13 TYR QD 3.150 . 4.500 3.371 2.325 4.086 . 0 0 "[ . 1 . 2]" 1
216 1 9 GLY HA3 1 17 THR HB 2.650 . 3.500 3.212 2.902 3.562 0.062 19 0 "[ . 1 . 2]" 1
217 1 9 GLY HA3 1 33 SER HB2 2.650 . 3.500 3.446 3.181 3.525 0.025 5 0 "[ . 1 . 2]" 1
218 1 9 GLY HA3 1 33 SER HB3 3.150 . 4.500 4.442 4.165 4.537 0.037 19 0 "[ . 1 . 2]" 1
219 1 9 GLY HA3 1 17 THR MG 2.650 . 3.500 2.338 1.991 2.708 . 0 0 "[ . 1 . 2]" 1
220 1 9 GLY HA3 1 13 TYR QE 3.650 . 5.500 4.772 3.933 5.368 . 0 0 "[ . 1 . 2]" 1
221 1 9 GLY HA3 1 13 TYR QE 3.650 . 5.500 4.695 3.915 5.250 . 0 0 "[ . 1 . 2]" 1
222 1 9 GLY HA3 1 17 THR MG 3.650 . 5.500 2.463 2.019 3.042 . 0 0 "[ . 1 . 2]" 1
223 1 9 GLY HA3 1 33 SER HB2 3.150 . 4.500 3.839 3.604 4.009 . 0 0 "[ . 1 . 2]" 1
224 1 10 GLY H 1 10 GLY HA2 2.650 . 3.500 2.929 2.906 2.941 . 0 0 "[ . 1 . 2]" 1
225 1 10 GLY H 1 10 GLY HA3 2.300 . 2.800 2.419 2.366 2.444 . 0 0 "[ . 1 . 2]" 1
226 1 10 GLY H 1 13 TYR HB2 3.650 . 5.500 2.795 2.374 3.378 . 0 0 "[ . 1 . 2]" 1
227 1 10 GLY H 1 13 TYR HB3 2.650 . 3.500 2.121 1.832 2.461 . 0 0 "[ . 1 . 2]" 1
228 1 10 GLY H 1 33 SER HB2 3.150 . 4.500 3.594 3.150 3.793 . 0 0 "[ . 1 . 2]" 1
229 1 10 GLY H 1 33 SER H 3.650 . 5.500 3.723 3.416 3.944 . 0 0 "[ . 1 . 2]" 1
230 1 10 GLY HA2 1 11 ILE H 2.650 . 3.500 2.586 2.281 2.951 . 0 0 "[ . 1 . 2]" 1
231 1 10 GLY HA2 1 11 ILE MD 3.650 . 5.500 5.332 5.086 5.529 0.029 19 0 "[ . 1 . 2]" 1
232 1 10 GLY HA2 1 11 ILE HG13 3.150 . 4.500 3.976 3.697 4.209 . 0 0 "[ . 1 . 2]" 1
233 1 10 GLY HA2 1 27 VAL MG2 3.150 . 4.500 3.318 3.023 3.518 . 0 0 "[ . 1 . 2]" 1
234 1 10 GLY HA2 1 32 TYR HA 3.150 . 4.500 4.128 4.004 4.256 . 0 0 "[ . 1 . 2]" 1
235 1 10 GLY HA2 1 13 TYR HB2 3.650 . 5.500 4.459 4.289 4.601 . 0 0 "[ . 1 . 2]" 1
236 1 10 GLY HA2 1 13 TYR H 3.650 . 5.500 4.605 4.440 4.869 . 0 0 "[ . 1 . 2]" 1
237 1 10 GLY HA2 1 13 TYR HB2 3.650 . 5.500 5.303 4.835 5.522 0.022 14 0 "[ . 1 . 2]" 1
238 1 10 GLY HA2 1 13 TYR HB3 3.650 . 5.500 4.633 4.405 4.933 . 0 0 "[ . 1 . 2]" 1
239 1 10 GLY HA2 1 27 VAL HA 3.650 . 5.500 5.238 4.848 5.515 0.015 15 0 "[ . 1 . 2]" 1
240 1 10 GLY HA2 1 27 VAL MG2 3.150 . 4.500 4.083 3.488 4.515 0.015 18 0 "[ . 1 . 2]" 1
241 1 10 GLY HA2 1 32 TYR HA 3.650 . 5.500 4.967 4.505 5.348 . 0 0 "[ . 1 . 2]" 1
242 1 10 GLY HA2 1 33 SER H 3.650 . 5.500 4.284 3.768 4.706 . 0 0 "[ . 1 . 2]" 1
243 1 10 GLY HA3 1 13 TYR H 2.650 . 3.500 3.289 3.077 3.555 0.055 13 0 "[ . 1 . 2]" 1
244 1 10 GLY HA3 1 11 ILE H 2.650 . 3.500 2.613 2.296 2.935 . 0 0 "[ . 1 . 2]" 1
245 1 10 GLY HA3 1 11 ILE H 2.300 . 2.800 2.395 2.205 2.545 . 0 0 "[ . 1 . 2]" 1
246 1 10 GLY HA3 1 31 TYR QD 3.650 . 5.500 4.342 3.966 4.546 . 0 0 "[ . 1 . 2]" 1
247 1 10 GLY HA3 1 31 TYR HA 2.650 . 3.500 2.811 2.380 3.420 . 0 0 "[ . 1 . 2]" 1
248 1 10 GLY HA3 1 33 SER H 3.650 . 4.500 3.440 2.776 3.991 . 0 0 "[ . 1 . 2]" 1
249 1 11 ILE H 1 11 ILE HB 2.650 . 3.500 2.569 2.449 2.656 . 0 0 "[ . 1 . 2]" 1
250 1 11 ILE H 1 11 ILE MD 3.150 . 4.500 3.558 3.511 3.621 . 0 0 "[ . 1 . 2]" 1
251 1 11 ILE H 1 11 ILE HG12 3.150 . 4.500 3.339 3.230 3.512 . 0 0 "[ . 1 . 2]" 1
252 1 11 ILE H 1 11 ILE HG13 2.650 . 3.500 2.067 1.963 2.237 . 0 0 "[ . 1 . 2]" 1
253 1 11 ILE H 1 11 ILE MG 3.650 . 5.500 3.779 3.760 3.803 . 0 0 "[ . 1 . 2]" 1
254 1 11 ILE H 1 13 TYR HB2 3.650 . 5.500 4.254 4.153 4.372 . 0 0 "[ . 1 . 2]" 1
255 1 11 ILE H 1 31 TYR HB2 3.650 . 5.500 4.057 3.920 4.134 . 0 0 "[ . 1 . 2]" 1
256 1 11 ILE H 1 31 TYR HA 2.300 . 2.800 2.020 1.805 2.243 . 0 0 "[ . 1 . 2]" 1
257 1 11 ILE H 1 31 TYR HB3 3.650 . 5.500 4.233 3.864 4.447 . 0 0 "[ . 1 . 2]" 1
258 1 11 ILE H 1 31 TYR QD 3.650 . 5.500 3.987 3.110 4.320 . 0 0 "[ . 1 . 2]" 1
259 1 11 ILE HA 1 11 ILE HB 2.650 . 3.500 3.040 3.028 3.051 . 0 0 "[ . 1 . 2]" 1
260 1 11 ILE HA 1 11 ILE MD 3.650 . 4.500 3.868 3.833 3.906 . 0 0 "[ . 1 . 2]" 1
261 1 11 ILE HA 1 11 ILE HG12 . . 2.800 2.576 2.523 2.646 . 0 0 "[ . 1 . 2]" 1
262 1 11 ILE HA 1 11 ILE HG13 3.150 . 3.500 3.032 2.945 3.128 . 0 0 "[ . 1 . 2]" 1
263 1 11 ILE HA 1 11 ILE MG 2.650 . 2.800 2.421 2.373 2.467 . 0 0 "[ . 1 . 2]" 1
264 1 11 ILE HA 1 12 GLY H 2.300 . 2.800 2.147 2.085 2.218 . 0 0 "[ . 1 . 2]" 1
265 1 11 ILE HB 1 11 ILE MD 2.650 . 2.800 2.433 2.409 2.443 . 0 0 "[ . 1 . 2]" 1
266 1 11 ILE HB 1 11 ILE HG12 2.650 . 3.500 3.031 3.024 3.036 . 0 0 "[ . 1 . 2]" 1
267 1 11 ILE HB 1 11 ILE MG 2.300 . 2.800 2.139 2.128 2.148 . 0 0 "[ . 1 . 2]" 1
268 1 11 ILE HB 1 12 GLY H 3.650 . 5.500 4.307 4.044 4.420 . 0 0 "[ . 1 . 2]" 1
269 1 11 ILE HB 1 31 TYR HA 3.150 . 3.500 2.864 2.444 3.513 0.013 13 0 "[ . 1 . 2]" 1
270 1 11 ILE HB 1 31 TYR HB3 3.650 . 5.500 4.049 3.529 4.900 . 0 0 "[ . 1 . 2]" 1
271 1 11 ILE HB 1 31 TYR QD 2.650 . 3.500 2.574 2.048 2.992 . 0 0 "[ . 1 . 2]" 1
272 1 11 ILE HB 1 31 TYR QE 3.150 . 4.500 3.170 2.518 3.522 . 0 0 "[ . 1 . 2]" 1
273 1 11 ILE MD 1 11 ILE HG12 2.300 . 2.800 2.118 2.108 2.123 . 0 0 "[ . 1 . 2]" 1
274 1 11 ILE MD 1 11 ILE HG13 2.300 . 2.800 2.123 2.116 2.130 . 0 0 "[ . 1 . 2]" 1
275 1 11 ILE MD 1 11 ILE MG 2.300 . 2.800 1.963 1.940 1.995 . 0 0 "[ . 1 . 2]" 1
276 1 11 ILE MD 1 30 PRO HA 3.650 . 5.500 3.776 3.346 4.195 . 0 0 "[ . 1 . 2]" 1
277 1 11 ILE MD 1 30 PRO HB3 3.150 . 3.500 2.710 2.178 3.507 0.007 15 0 "[ . 1 . 2]" 1
278 1 11 ILE MD 1 31 TYR HA 3.650 . 5.500 4.034 3.659 4.541 . 0 0 "[ . 1 . 2]" 1
279 1 11 ILE MD 1 31 TYR QD 3.650 . 4.500 3.916 3.612 4.173 . 0 0 "[ . 1 . 2]" 1
280 1 11 ILE MD 1 31 TYR QE 3.150 . 4.500 3.577 3.195 3.834 . 0 0 "[ . 1 . 2]" 1
281 1 11 ILE HG13 1 12 GLY H 3.650 . 5.500 4.739 4.548 4.821 . 0 0 "[ . 1 . 2]" 1
282 1 11 ILE HG13 1 31 TYR H 3.650 . 5.500 5.076 4.749 5.348 . 0 0 "[ . 1 . 2]" 1
283 1 11 ILE HG13 1 31 TYR QD 3.650 . 5.500 4.643 4.363 4.965 . 0 0 "[ . 1 . 2]" 1
284 1 11 ILE HG13 1 31 TYR QE 3.650 . 5.500 4.964 4.525 5.203 . 0 0 "[ . 1 . 2]" 1
285 1 11 ILE MG 1 12 GLY H 2.650 . 3.500 2.938 2.509 3.159 . 0 0 "[ . 1 . 2]" 1
286 1 11 ILE MG 1 12 GLY HA2 3.150 . 4.500 3.664 3.487 3.841 . 0 0 "[ . 1 . 2]" 1
287 1 11 ILE MG 1 12 GLY HA3 3.150 . 4.500 3.528 3.302 3.762 . 0 0 "[ . 1 . 2]" 1
288 1 11 ILE MG 1 31 TYR QE 2.650 . 3.500 2.613 2.416 2.834 . 0 0 "[ . 1 . 2]" 1
289 1 11 ILE MG 1 31 TYR QD 3.150 . 4.500 3.169 2.802 3.658 . 0 0 "[ . 1 . 2]" 1
290 1 11 ILE MG 1 31 TYR QE 3.150 . 4.500 2.701 2.457 2.956 . 0 0 "[ . 1 . 2]" 1
291 1 12 GLY H 1 12 GLY HA2 2.650 . 3.500 2.396 2.331 2.453 . 0 0 "[ . 1 . 2]" 1
292 1 12 GLY H 1 12 GLY HA3 2.650 . 3.500 2.933 2.906 2.956 . 0 0 "[ . 1 . 2]" 1
293 1 12 GLY H 1 13 TYR H 2.650 . 3.500 2.311 2.118 2.550 . 0 0 "[ . 1 . 2]" 1
294 1 12 GLY H 1 31 TYR QE 3.650 . 5.500 4.246 4.132 4.346 . 0 0 "[ . 1 . 2]" 1
295 1 12 GLY HA2 1 13 TYR H 3.150 . 4.500 3.271 2.951 3.411 . 0 0 "[ . 1 . 2]" 1
296 1 12 GLY HA2 1 13 TYR H 3.150 . 4.500 3.139 2.888 3.247 . 0 0 "[ . 1 . 2]" 1
297 1 12 GLY HA3 1 13 TYR H 3.150 . 4.500 3.234 3.072 3.492 . 0 0 "[ . 1 . 2]" 1
298 1 12 GLY HA3 1 31 TYR QD 3.650 . 5.500 3.903 3.407 4.792 . 0 0 "[ . 1 . 2]" 1
299 1 13 TYR H 1 13 TYR HA 2.650 . 3.500 2.605 2.587 2.623 . 0 0 "[ . 1 . 2]" 1
300 1 13 TYR H 1 13 TYR HB2 2.650 . 3.500 2.810 2.644 2.992 . 0 0 "[ . 1 . 2]" 1
301 1 13 TYR H 1 13 TYR HB2 2.300 . 2.800 2.318 2.262 2.369 . 0 0 "[ . 1 . 2]" 1
302 1 13 TYR HA 1 13 TYR HB2 2.300 . 2.800 2.497 2.426 2.572 . 0 0 "[ . 1 . 2]" 1
303 1 13 TYR HA 1 13 TYR HB2 2.300 . 2.800 2.165 2.146 2.188 . 0 0 "[ . 1 . 2]" 1
304 1 13 TYR HA 1 13 TYR QD 2.650 . 3.500 2.784 2.622 3.075 . 0 0 "[ . 1 . 2]" 1
305 1 13 TYR HA 1 13 TYR QD 2.300 . 2.800 2.397 2.302 2.508 . 0 0 "[ . 1 . 2]" 1
306 1 13 TYR HA 1 13 TYR QE 3.650 . 4.500 4.309 3.990 4.527 0.027 12 0 "[ . 1 . 2]" 1
307 1 13 TYR HA 1 14 SER H 2.300 . 2.800 2.158 2.086 2.223 . 0 0 "[ . 1 . 2]" 1
308 1 13 TYR HB2 1 13 TYR QD 2.300 . 2.800 2.475 2.323 2.597 . 0 0 "[ . 1 . 2]" 1
309 1 13 TYR HB3 1 13 TYR QD 2.300 . 2.800 2.349 2.265 2.471 . 0 0 "[ . 1 . 2]" 1
310 1 13 TYR QD 1 14 SER H 3.650 . 4.500 3.822 3.488 4.082 . 0 0 "[ . 1 . 2]" 1
311 1 13 TYR QD 1 14 SER HA 3.650 . 5.500 4.333 3.513 4.664 . 0 0 "[ . 1 . 2]" 1
312 1 13 TYR QD 1 15 GLY HA3 3.650 . 5.500 4.250 3.832 4.690 . 0 0 "[ . 1 . 2]" 1
313 1 13 TYR QD 1 16 PRO HG2 4.150 . 6.500 5.860 5.108 6.352 . 0 0 "[ . 1 . 2]" 1
314 1 13 TYR QD 1 17 THR MG 3.150 . 4.500 2.431 2.037 2.740 . 0 0 "[ . 1 . 2]" 1
315 1 13 TYR QE 1 15 GLY HA2 3.650 . 5.500 4.639 4.211 5.079 . 0 0 "[ . 1 . 2]" 1
316 1 13 TYR QE 1 15 GLY HA3 3.150 . 4.500 3.338 2.815 3.877 . 0 0 "[ . 1 . 2]" 1
317 1 13 TYR QE 1 17 THR HA 3.650 . 4.500 3.071 2.305 4.048 . 0 0 "[ . 1 . 2]" 1
318 1 13 TYR QE 1 17 THR MG 2.650 . 3.500 3.136 2.621 3.516 0.016 13 0 "[ . 1 . 2]" 1
319 1 14 SER H 1 14 SER HB3 3.150 . 4.500 3.060 2.886 3.360 . 0 0 "[ . 1 . 2]" 1
320 1 14 SER H 1 15 GLY H 2.650 . 3.500 2.280 2.007 2.572 . 0 0 "[ . 1 . 2]" 1
321 1 14 SER HA 1 14 SER HB2 2.650 . 2.800 2.550 2.511 2.595 . 0 0 "[ . 1 . 2]" 1
322 1 14 SER HA 1 14 SER HB3 2.650 . 2.800 2.350 2.301 2.405 . 0 0 "[ . 1 . 2]" 1
323 1 14 SER HB3 1 15 GLY H 3.150 . 4.500 4.482 4.384 4.531 0.031 12 0 "[ . 1 . 2]" 1
324 1 15 GLY H 1 15 GLY HA3 2.650 . 3.500 2.323 2.293 2.370 . 0 0 "[ . 1 . 2]" 1
325 1 15 GLY HA2 1 16 PRO HD2 2.650 . 3.500 3.178 2.716 3.529 0.029 12 0 "[ . 1 . 2]" 1
326 1 15 GLY HA2 1 16 PRO HG2 3.650 . 5.500 5.186 4.790 5.504 0.004 12 0 "[ . 1 . 2]" 1
327 1 15 GLY HA3 1 16 PRO HG2 3.150 . 4.500 4.205 4.051 4.383 . 0 0 "[ . 1 . 2]" 1
328 1 16 PRO HA 1 16 PRO HB3 2.300 . 2.800 2.298 2.281 2.314 . 0 0 "[ . 1 . 2]" 1
329 1 16 PRO HA 1 16 PRO HD2 3.650 . 5.500 4.081 4.063 4.099 . 0 0 "[ . 1 . 2]" 1
330 1 16 PRO HA 1 16 PRO HG2 3.150 . 4.500 3.872 3.846 3.920 . 0 0 "[ . 1 . 2]" 1
331 1 16 PRO HA 1 16 PRO HG3 3.150 . 4.500 3.687 3.550 3.818 . 0 0 "[ . 1 . 2]" 1
332 1 16 PRO HA 1 17 THR H 2.300 . 2.800 2.180 2.122 2.362 . 0 0 "[ . 1 . 2]" 1
333 1 16 PRO HA 1 18 VAL H 3.650 . 5.500 3.380 2.949 3.710 . 0 0 "[ . 1 . 2]" 1
334 1 16 PRO HA 1 18 VAL MG1 3.150 . 3.500 3.061 2.767 3.398 . 0 0 "[ . 1 . 2]" 1
335 1 16 PRO HB2 1 16 PRO HD2 3.650 . 5.500 4.027 3.960 4.062 . 0 0 "[ . 1 . 2]" 1
336 1 16 PRO HB2 1 16 PRO HD2 3.150 . 4.500 3.857 3.787 3.899 . 0 0 "[ . 1 . 2]" 1
337 1 16 PRO HB2 1 18 VAL H 3.650 . 5.500 3.432 2.560 3.912 . 0 0 "[ . 1 . 2]" 1
338 1 16 PRO HB2 1 18 VAL H 3.650 . 5.500 3.257 2.533 3.612 . 0 0 "[ . 1 . 2]" 1
339 1 16 PRO HB3 1 16 PRO HD2 3.150 . 4.500 3.888 3.855 3.926 . 0 0 "[ . 1 . 2]" 1
340 1 16 PRO HB3 1 16 PRO HD3 3.150 . 4.500 3.011 2.903 3.182 . 0 0 "[ . 1 . 2]" 1
341 1 16 PRO HB3 1 16 PRO HG2 2.650 . 3.500 2.987 2.973 2.999 . 0 0 "[ . 1 . 2]" 1
342 1 16 PRO HB3 1 16 PRO HG3 2.300 . 2.800 2.316 2.293 2.332 . 0 0 "[ . 1 . 2]" 1
343 1 16 PRO HB3 1 17 THR H 3.150 . 4.500 4.201 3.974 4.513 0.013 12 0 "[ . 1 . 2]" 1
344 1 16 PRO HD2 1 16 PRO HG2 2.650 . 2.800 2.293 2.271 2.312 . 0 0 "[ . 1 . 2]" 1
345 1 16 PRO HD2 1 16 PRO HG3 2.650 . 3.500 2.699 2.653 2.770 . 0 0 "[ . 1 . 2]" 1
346 1 16 PRO HD3 1 16 PRO HG2 2.650 . 3.500 2.979 2.943 2.994 . 0 0 "[ . 1 . 2]" 1
347 1 16 PRO HD3 1 16 PRO HG3 2.300 . 2.800 2.304 2.267 2.323 . 0 0 "[ . 1 . 2]" 1
348 1 16 PRO HD3 1 16 PRO HG3 2.300 . 2.800 2.058 2.040 2.073 . 0 0 "[ . 1 . 2]" 1
349 1 16 PRO HD3 1 18 VAL MG1 3.650 . 5.500 4.394 4.176 4.542 . 0 0 "[ . 1 . 2]" 1
350 1 16 PRO HG2 1 17 THR H 3.650 . 5.500 4.236 4.075 4.357 . 0 0 "[ . 1 . 2]" 1
351 1 17 THR H 1 17 THR MG 2.650 . 3.500 2.643 2.410 2.850 . 0 0 "[ . 1 . 2]" 1
352 1 17 THR H 1 18 VAL H 2.650 . 3.500 2.365 2.210 2.631 . 0 0 "[ . 1 . 2]" 1
353 1 17 THR H 1 18 VAL MG1 4.150 . 6.500 3.539 3.334 3.721 . 0 0 "[ . 1 . 2]" 1
354 1 17 THR HA 1 17 THR MG 2.650 . 2.800 2.264 2.210 2.354 . 0 0 "[ . 1 . 2]" 1
355 1 17 THR HA 1 18 VAL H 3.650 . 5.500 3.270 3.072 3.394 . 0 0 "[ . 1 . 2]" 1
356 1 17 THR HA 1 18 VAL MG1 3.150 . 4.500 3.743 3.720 3.779 . 0 0 "[ . 1 . 2]" 1
357 1 17 THR HB 1 17 THR MG 2.300 . 2.800 2.146 2.133 2.153 . 0 0 "[ . 1 . 2]" 1
358 1 17 THR HB 1 18 VAL MG1 3.150 . 4.500 3.808 3.778 3.832 . 0 0 "[ . 1 . 2]" 1
359 1 18 VAL H 1 18 VAL HB 2.650 . 3.500 2.833 2.587 3.062 . 0 0 "[ . 1 . 2]" 1
360 1 18 VAL H 1 18 VAL QG 2.650 . 3.500 2.026 1.951 2.147 . 0 0 "[ . 1 . 2]" 1
361 1 18 VAL HA 1 18 VAL HB 2.650 . 2.800 2.451 2.409 2.518 . 0 0 "[ . 1 . 2]" 1
362 1 18 VAL HA 1 18 VAL MG2 2.650 . 2.800 2.409 2.345 2.458 . 0 0 "[ . 1 . 2]" 1
363 1 18 VAL MG2 1 19 CYS HB3 3.150 . 4.500 3.727 3.583 3.813 . 0 0 "[ . 1 . 2]" 1
364 1 18 VAL MG2 1 19 CYS HB3 3.150 . 4.500 3.977 3.762 4.142 . 0 0 "[ . 1 . 2]" 1
365 1 18 VAL MG2 1 21 SER H 3.650 . 5.500 4.631 4.356 4.830 . 0 0 "[ . 1 . 2]" 1
366 1 18 VAL MG2 1 25 CYS HB2 3.650 . 5.500 4.495 4.315 4.636 . 0 0 "[ . 1 . 2]" 1
367 1 19 CYS H 1 19 CYS HB3 3.150 . 4.500 3.614 3.578 3.638 . 0 0 "[ . 1 . 2]" 1
368 1 19 CYS HA 1 19 CYS HB3 2.650 . 3.500 2.459 2.389 2.494 . 0 0 "[ . 1 . 2]" 1
369 1 19 CYS HA 1 20 ALA H 3.150 . 4.500 2.284 2.192 2.394 . 0 0 "[ . 1 . 2]" 1
370 1 19 CYS HA 1 21 SER H 4.150 . 6.500 5.551 5.432 5.651 . 0 0 "[ . 1 . 2]" 1
371 1 19 CYS HB2 1 20 ALA H 3.650 . 4.500 3.702 3.370 3.898 . 0 0 "[ . 1 . 2]" 1
372 1 19 CYS HB2 1 24 THR HA 2.650 . 3.500 3.339 2.907 3.521 0.021 3 0 "[ . 1 . 2]" 1
373 1 19 CYS HB2 1 24 THR HA 2.650 . 3.500 3.264 2.890 3.467 . 0 0 "[ . 1 . 2]" 1
374 1 19 CYS HB2 1 25 CYS H 3.650 . 5.500 3.850 3.362 4.296 . 0 0 "[ . 1 . 2]" 1
375 1 19 CYS HB2 1 35 CYS HA 3.150 . 4.500 4.238 3.708 4.517 0.017 18 0 "[ . 1 . 2]" 1
376 1 19 CYS HB2 1 35 CYS HB3 3.650 . 4.500 3.704 3.308 3.908 . 0 0 "[ . 1 . 2]" 1
377 1 19 CYS HB3 1 20 ALA H 3.150 . 4.500 2.586 2.304 2.798 . 0 0 "[ . 1 . 2]" 1
378 1 19 CYS HB3 1 35 CYS HB2 3.650 . 5.500 3.748 3.591 3.892 . 0 0 "[ . 1 . 2]" 1
379 1 19 CYS HB3 1 35 CYS HB3 2.650 . 3.500 2.346 2.191 2.489 . 0 0 "[ . 1 . 2]" 1
380 1 20 ALA H 1 20 ALA MB 2.300 . 2.800 2.222 2.201 2.272 . 0 0 "[ . 1 . 2]" 1
381 1 20 ALA H 1 35 CYS HB3 3.650 . 5.500 4.143 3.707 4.471 . 0 0 "[ . 1 . 2]" 1
382 1 20 ALA HA 1 21 SER H 2.300 . 2.800 2.288 2.190 2.510 . 0 0 "[ . 1 . 2]" 1
383 1 20 ALA MB 1 21 SER H 2.650 . 3.500 2.678 2.100 3.131 . 0 0 "[ . 1 . 2]" 1
384 1 20 ALA MB 2 1 MAN H2 4.150 . 6.500 4.262 1.865 6.567 0.067 16 0 "[ . 1 . 2]" 1
385 1 21 SER H 1 21 SER QB 2.650 . 3.500 2.448 2.172 2.664 . 0 0 "[ . 1 . 2]" 1
386 1 21 SER HA 1 21 SER QB . . 2.800 2.310 2.156 2.417 . 0 0 "[ . 1 . 2]" 1
387 1 21 SER HA 1 22 GLY H 2.300 . 2.800 2.140 2.092 2.220 . 0 0 "[ . 1 . 2]" 1
388 1 21 SER HA 1 22 GLY HA2 3.150 . 4.500 3.658 3.645 3.681 . 0 0 "[ . 1 . 2]" 1
389 1 21 SER HA 1 23 THR H 3.150 . 4.500 3.322 3.026 3.805 . 0 0 "[ . 1 . 2]" 1
390 1 21 SER QB 1 22 GLY H 3.150 . 4.500 3.341 3.009 3.855 . 0 0 "[ . 1 . 2]" 1
391 1 22 GLY H 1 22 GLY HA2 2.650 . 3.500 2.408 2.313 2.432 . 0 0 "[ . 1 . 2]" 1
392 1 22 GLY H 1 22 GLY HA3 2.650 . 3.500 2.937 2.900 2.950 . 0 0 "[ . 1 . 2]" 1
393 1 22 GLY H 1 23 THR H 2.650 . 3.500 2.363 2.168 2.532 . 0 0 "[ . 1 . 2]" 1
394 1 22 GLY HA2 1 23 THR H 3.150 . 4.500 3.391 3.153 3.473 . 0 0 "[ . 1 . 2]" 1
395 1 22 GLY HA3 1 23 THR H 3.150 . 4.500 3.129 3.023 3.392 . 0 0 "[ . 1 . 2]" 1
396 1 22 GLY HA3 1 23 THR MG 3.150 . 4.500 3.603 3.378 3.735 . 0 0 "[ . 1 . 2]" 1
397 1 23 THR H 1 23 THR HB 3.150 . 4.500 3.799 3.709 3.846 . 0 0 "[ . 1 . 2]" 1
398 1 23 THR H 1 23 THR MG 3.150 . 4.500 2.944 2.714 3.147 . 0 0 "[ . 1 . 2]" 1
399 1 23 THR HA 1 23 THR HB 2.650 . 2.800 2.492 2.465 2.545 . 0 0 "[ . 1 . 2]" 1
400 1 23 THR HA 1 23 THR MG 2.650 . 2.800 2.365 2.254 2.414 . 0 0 "[ . 1 . 2]" 1
401 1 23 THR HA 1 24 THR H 2.650 . 3.500 2.268 2.193 2.375 . 0 0 "[ . 1 . 2]" 1
402 1 23 THR HA 1 24 THR MG 3.650 . 5.500 3.672 3.527 3.878 . 0 0 "[ . 1 . 2]" 1
403 1 23 THR HA 1 36 LEU H 3.150 . 4.500 4.029 3.878 4.142 . 0 0 "[ . 1 . 2]" 1
404 1 23 THR HB 1 23 THR MG 2.300 . 2.800 2.130 2.121 2.137 . 0 0 "[ . 1 . 2]" 1
405 1 23 THR HB 1 24 THR H 2.650 . 2.800 2.763 2.561 2.827 0.027 3 0 "[ . 1 . 2]" 1
406 1 23 THR HB 1 35 CYS HA 3.150 . 4.500 3.553 3.251 3.832 . 0 0 "[ . 1 . 2]" 1
407 1 23 THR HB 1 35 CYS HB2 3.150 . 4.500 3.644 3.337 3.979 . 0 0 "[ . 1 . 2]" 1
408 1 23 THR HB 1 35 CYS HB3 2.650 . 3.500 2.325 1.999 2.733 . 0 0 "[ . 1 . 2]" 1
409 1 23 THR HB 1 36 LEU H 2.650 . 3.500 3.224 3.046 3.394 . 0 0 "[ . 1 . 2]" 1
410 1 23 THR HB 1 36 LEU MD2 3.650 . 5.500 5.016 4.683 5.275 . 0 0 "[ . 1 . 2]" 1
411 1 23 THR MG 1 24 THR H 3.150 . 4.500 3.756 3.536 3.842 . 0 0 "[ . 1 . 2]" 1
412 1 23 THR MG 1 36 LEU H 3.150 . 4.500 4.076 3.881 4.247 . 0 0 "[ . 1 . 2]" 1
413 1 23 THR MG 1 35 CYS HB2 3.650 . 5.500 3.403 3.200 3.679 . 0 0 "[ . 1 . 2]" 1
414 1 23 THR MG 1 35 CYS HA 3.650 . 5.500 4.840 4.568 5.135 . 0 0 "[ . 1 . 2]" 1
415 1 23 THR MG 1 35 CYS HB3 3.650 . 4.500 3.395 3.197 3.771 . 0 0 "[ . 1 . 2]" 1
416 1 24 THR H 1 24 THR HA 2.650 . 3.500 2.927 2.916 2.941 . 0 0 "[ . 1 . 2]" 1
417 1 24 THR H 1 24 THR HB 3.150 . 4.500 3.688 3.654 3.735 . 0 0 "[ . 1 . 2]" 1
418 1 24 THR H 1 24 THR MG 3.150 . 4.500 2.973 2.837 3.172 . 0 0 "[ . 1 . 2]" 1
419 1 24 THR H 1 26 GLN HE21 3.650 . 5.500 3.924 3.414 5.388 . 0 0 "[ . 1 . 2]" 1
420 1 24 THR H 1 35 CYS HA 3.650 . 5.500 4.003 3.776 4.216 . 0 0 "[ . 1 . 2]" 1
421 1 24 THR H 1 36 LEU H 2.650 . 3.500 2.782 2.632 2.979 . 0 0 "[ . 1 . 2]" 1
422 1 24 THR H 1 36 LEU QB 3.650 . 5.500 3.914 3.598 4.099 . 0 0 "[ . 1 . 2]" 1
423 1 24 THR HA 1 24 THR HB 2.650 . 2.800 2.544 2.516 2.589 . 0 0 "[ . 1 . 2]" 1
424 1 24 THR HA 1 24 THR MG 2.650 . 2.800 2.296 2.260 2.338 . 0 0 "[ . 1 . 2]" 1
425 1 24 THR HA 1 25 CYS H 2.300 . 2.800 2.268 2.175 2.375 . 0 0 "[ . 1 . 2]" 1
426 1 24 THR HA 1 35 CYS HB3 3.650 . 5.500 4.115 3.950 4.251 . 0 0 "[ . 1 . 2]" 1
427 1 24 THR HA 1 35 CYS HB3 3.150 . 4.500 3.842 3.726 3.915 . 0 0 "[ . 1 . 2]" 1
428 1 24 THR HB 1 24 THR MG 2.300 . 2.800 2.139 2.130 2.145 . 0 0 "[ . 1 . 2]" 1
429 1 24 THR HB 1 25 CYS H 2.650 . 3.500 2.881 2.658 3.127 . 0 0 "[ . 1 . 2]" 1
430 1 24 THR HB 1 26 GLN H 3.150 . 4.500 3.460 3.328 3.574 . 0 0 "[ . 1 . 2]" 1
431 1 24 THR HB 1 26 GLN HG2 3.650 . 5.500 3.831 3.460 4.244 . 0 0 "[ . 1 . 2]" 1
432 1 24 THR HB 1 26 GLN HG3 3.650 . 5.500 4.194 3.165 5.513 0.013 16 0 "[ . 1 . 2]" 1
433 1 24 THR MG 1 25 CYS H 3.150 . 4.500 3.686 3.522 3.884 . 0 0 "[ . 1 . 2]" 1
434 1 24 THR MG 1 26 GLN HE21 3.650 . 5.500 4.165 3.349 5.200 . 0 0 "[ . 1 . 2]" 1
435 1 25 CYS H 1 25 CYS HB2 2.300 . 2.800 2.656 2.544 2.741 . 0 0 "[ . 1 . 2]" 1
436 1 25 CYS H 1 25 CYS HB3 2.300 . 2.800 2.488 2.427 2.547 . 0 0 "[ . 1 . 2]" 1
437 1 25 CYS HA 1 25 CYS HB2 2.650 . 2.800 2.472 2.443 2.507 . 0 0 "[ . 1 . 2]" 1
438 1 25 CYS HA 1 26 GLN H 2.300 . 2.800 2.159 2.132 2.193 . 0 0 "[ . 1 . 2]" 1
439 1 25 CYS HA 1 33 SER HB3 3.650 . 5.500 4.689 4.512 5.033 . 0 0 "[ . 1 . 2]" 1
440 1 25 CYS HA 1 35 CYS HA 2.300 . 2.800 2.371 2.145 2.535 . 0 0 "[ . 1 . 2]" 1
441 1 25 CYS HB2 1 26 GLN H 3.650 . 5.500 4.461 4.409 4.519 . 0 0 "[ . 1 . 2]" 1
442 1 25 CYS HB2 1 26 GLN H 3.650 . 5.500 4.317 4.268 4.369 . 0 0 "[ . 1 . 2]" 1
443 1 26 GLN H 1 26 GLN HA 2.650 . 3.500 2.905 2.885 2.925 . 0 0 "[ . 1 . 2]" 1
444 1 26 GLN H 1 26 GLN HB2 2.650 . 3.500 2.520 2.401 2.599 . 0 0 "[ . 1 . 2]" 1
445 1 26 GLN H 1 26 GLN HB3 3.150 . 4.500 3.670 3.586 3.738 . 0 0 "[ . 1 . 2]" 1
446 1 26 GLN H 1 26 GLN HB3 3.150 . 4.500 3.547 3.417 3.631 . 0 0 "[ . 1 . 2]" 1
447 1 26 GLN H 1 26 GLN HE21 3.650 . 5.500 3.815 3.418 4.682 . 0 0 "[ . 1 . 2]" 1
448 1 26 GLN H 1 26 GLN HG2 3.150 . 4.500 3.236 2.272 3.765 . 0 0 "[ . 1 . 2]" 1
449 1 26 GLN H 1 26 GLN HG3 3.150 . 3.500 2.829 2.385 3.539 0.039 19 0 "[ . 1 . 2]" 1
450 1 26 GLN H 1 36 LEU MD1 2.650 . 3.500 3.173 3.043 3.277 . 0 0 "[ . 1 . 2]" 1
451 1 26 GLN H 1 33 SER HB2 3.650 . 5.500 4.157 4.095 4.222 . 0 0 "[ . 1 . 2]" 1
452 1 26 GLN H 1 33 SER HB3 2.650 . 3.500 3.010 2.873 3.133 . 0 0 "[ . 1 . 2]" 1
453 1 26 GLN H 1 36 LEU MD1 3.150 . 3.500 3.307 3.152 3.391 . 0 0 "[ . 1 . 2]" 1
454 1 26 GLN H 1 36 LEU MD1 2.650 . 3.500 3.399 3.276 3.487 . 0 0 "[ . 1 . 2]" 1
455 1 26 GLN H 1 36 LEU HG 3.150 . 3.500 3.073 2.814 3.278 . 0 0 "[ . 1 . 2]" 1
456 1 26 GLN HA 1 26 GLN HB2 2.650 . 3.500 3.017 3.007 3.028 . 0 0 "[ . 1 . 2]" 1
457 1 26 GLN HA 1 26 GLN HB3 2.650 . 2.800 2.461 2.415 2.493 . 0 0 "[ . 1 . 2]" 1
458 1 26 GLN HA 1 26 GLN HG2 2.650 . 3.500 2.665 2.422 3.243 . 0 0 "[ . 1 . 2]" 1
459 1 26 GLN HA 1 26 GLN HG3 3.650 . 4.500 3.349 3.044 3.829 . 0 0 "[ . 1 . 2]" 1
460 1 26 GLN HA 1 27 VAL H 2.300 . 2.800 2.064 1.993 2.130 . 0 0 "[ . 1 . 2]" 1
461 1 26 GLN HA 1 27 VAL MG2 3.150 . 3.500 3.491 3.412 3.541 0.041 16 0 "[ . 1 . 2]" 1
462 1 26 GLN HB2 1 26 GLN HG2 2.650 . 3.500 2.843 2.442 3.013 . 0 0 "[ . 1 . 2]" 1
463 1 26 GLN HB2 1 26 GLN HG2 2.300 . 2.800 2.213 2.112 2.261 . 0 0 "[ . 1 . 2]" 1
464 1 26 GLN HB2 1 26 GLN HG3 2.650 . 3.500 2.397 2.344 2.432 . 0 0 "[ . 1 . 2]" 1
465 1 26 GLN HB3 1 26 GLN HG2 2.300 . 2.800 2.348 2.252 2.501 . 0 0 "[ . 1 . 2]" 1
466 1 26 GLN HB3 1 26 GLN HG3 2.650 . 3.500 2.839 2.430 3.011 . 0 0 "[ . 1 . 2]" 1
467 1 26 GLN HB3 1 27 VAL H 2.650 . 3.500 3.353 3.158 3.517 0.017 16 0 "[ . 1 . 2]" 1
468 1 26 GLN HB3 1 27 VAL H 3.150 . 4.500 3.307 3.135 3.470 . 0 0 "[ . 1 . 2]" 1
469 1 26 GLN HB3 1 28 LEU MD2 2.650 . 3.500 2.806 2.383 3.108 . 0 0 "[ . 1 . 2]" 1
470 1 26 GLN HE21 1 26 GLN HG3 3.150 . 4.500 2.324 2.187 2.942 . 0 0 "[ . 1 . 2]" 1
471 1 26 GLN HE21 1 36 LEU QB 3.650 . 5.500 2.759 2.112 3.956 . 0 0 "[ . 1 . 2]" 1
472 1 26 GLN HE22 1 26 GLN HG3 3.650 . 5.500 3.514 3.449 3.789 . 0 0 "[ . 1 . 2]" 1
473 1 26 GLN HE22 1 36 LEU QB 3.650 . 5.500 3.379 2.571 5.214 . 0 0 "[ . 1 . 2]" 1
474 1 26 GLN HE22 1 36 LEU MD1 4.150 . 6.500 4.104 3.291 5.876 . 0 0 "[ . 1 . 2]" 1
475 1 26 GLN HG3 1 27 VAL H 3.650 . 5.500 5.221 5.001 5.520 0.020 16 0 "[ . 1 . 2]" 1
476 1 26 GLN HG3 1 36 LEU QB 3.150 . 4.500 2.509 1.920 3.111 . 0 0 "[ . 1 . 2]" 1
477 1 26 GLN HG3 1 36 LEU MD1 3.650 . 5.500 3.267 2.155 3.940 . 0 0 "[ . 1 . 2]" 1
478 1 27 VAL H 1 27 VAL HB 2.300 . 2.800 2.526 2.469 2.571 . 0 0 "[ . 1 . 2]" 1
479 1 27 VAL H 1 27 VAL HB 2.650 . 3.500 2.247 2.222 2.285 . 0 0 "[ . 1 . 2]" 1
480 1 27 VAL H 1 27 VAL MG1 3.150 . 4.500 3.773 3.744 3.794 . 0 0 "[ . 1 . 2]" 1
481 1 27 VAL H 1 27 VAL MG1 2.650 . 3.500 2.986 2.776 3.176 . 0 0 "[ . 1 . 2]" 1
482 1 27 VAL H 1 27 VAL MG1 2.650 . 3.500 2.894 2.708 3.062 . 0 0 "[ . 1 . 2]" 1
483 1 27 VAL H 1 27 VAL MG2 2.300 . 2.800 2.154 2.031 2.297 . 0 0 "[ . 1 . 2]" 1
484 1 27 VAL H 1 33 SER HB3 3.150 . 4.500 3.556 3.335 3.839 . 0 0 "[ . 1 . 2]" 1
485 1 27 VAL HA 1 27 VAL MG1 2.650 . 2.800 2.401 2.355 2.434 . 0 0 "[ . 1 . 2]" 1
486 1 27 VAL HA 1 27 VAL MG2 2.650 . 2.800 2.440 2.381 2.484 . 0 0 "[ . 1 . 2]" 1
487 1 27 VAL HA 1 28 LEU H 2.300 . 2.800 2.128 2.084 2.170 . 0 0 "[ . 1 . 2]" 1
488 1 27 VAL HA 1 33 SER HA 2.650 . 2.800 2.308 2.098 2.487 . 0 0 "[ . 1 . 2]" 1
489 1 27 VAL HA 1 33 SER HB3 . . 2.800 2.429 2.098 2.747 . 0 0 "[ . 1 . 2]" 1
490 1 27 VAL HA 1 34 GLN H 3.650 . 4.500 3.617 3.433 3.783 . 0 0 "[ . 1 . 2]" 1
491 1 27 VAL HB 1 27 VAL MG1 2.300 . 2.800 2.130 2.124 2.134 . 0 0 "[ . 1 . 2]" 1
492 1 27 VAL HB 1 27 VAL MG2 2.300 . 2.800 2.130 2.121 2.136 . 0 0 "[ . 1 . 2]" 1
493 1 27 VAL MG1 1 28 LEU H 2.650 . 3.500 3.010 2.778 3.239 . 0 0 "[ . 1 . 2]" 1
494 1 27 VAL MG1 1 28 LEU HA 3.650 . 5.500 4.103 3.884 4.388 . 0 0 "[ . 1 . 2]" 1
495 1 27 VAL MG1 1 29 ASN HA 3.150 . 4.500 4.307 4.013 4.462 . 0 0 "[ . 1 . 2]" 1
496 1 27 VAL MG1 1 29 ASN QB 3.650 . 5.500 4.683 4.581 4.831 . 0 0 "[ . 1 . 2]" 1
497 1 27 VAL MG1 1 30 PRO HA 3.650 . 4.500 3.005 2.680 3.210 . 0 0 "[ . 1 . 2]" 1
498 1 27 VAL MG1 1 32 TYR H 3.650 . 5.500 4.651 4.368 4.871 . 0 0 "[ . 1 . 2]" 1
499 1 27 VAL MG1 1 33 SER HA 3.650 . 4.500 3.778 3.508 3.934 . 0 0 "[ . 1 . 2]" 1
500 1 27 VAL MG1 1 33 SER HB3 3.650 . 5.500 3.776 3.462 3.983 . 0 0 "[ . 1 . 2]" 1
501 1 27 VAL MG2 1 33 SER HA 3.150 . 4.500 3.606 3.557 3.670 . 0 0 "[ . 1 . 2]" 1
502 1 27 VAL MG2 1 33 SER HA 3.150 . 4.500 3.771 3.634 3.887 . 0 0 "[ . 1 . 2]" 1
503 1 27 VAL MG2 1 33 SER HA 3.650 . 5.500 4.063 3.835 4.326 . 0 0 "[ . 1 . 2]" 1
504 1 27 VAL MG2 1 33 SER HB3 3.150 . 4.500 2.742 2.400 3.027 . 0 0 "[ . 1 . 2]" 1
505 1 28 LEU H 1 28 LEU HA 2.650 . 3.500 2.774 2.738 2.794 . 0 0 "[ . 1 . 2]" 1
506 1 28 LEU H 1 28 LEU HB2 2.650 . 2.800 1.840 1.797 1.896 0.003 2 0 "[ . 1 . 2]" 1
507 1 28 LEU H 1 28 LEU HG 2.650 . 3.500 2.402 2.258 2.557 . 0 0 "[ . 1 . 2]" 1
508 1 28 LEU H 1 28 LEU HG 2.650 . 3.500 2.521 2.331 2.741 . 0 0 "[ . 1 . 2]" 1
509 1 28 LEU H 1 33 SER HB2 3.150 . 4.500 2.923 2.658 3.144 . 0 0 "[ . 1 . 2]" 1
510 1 28 LEU H 1 33 SER HA 2.300 . 2.800 2.084 1.973 2.256 . 0 0 "[ . 1 . 2]" 1
511 1 28 LEU HA 1 28 LEU HB2 2.650 . 3.500 3.030 3.024 3.041 . 0 0 "[ . 1 . 2]" 1
512 1 28 LEU HA 1 28 LEU HB3 2.650 . 2.800 2.465 2.439 2.490 . 0 0 "[ . 1 . 2]" 1
513 1 28 LEU HA 1 28 LEU MD1 3.150 . 4.500 3.888 3.878 3.907 . 0 0 "[ . 1 . 2]" 1
514 1 28 LEU HA 1 28 LEU MD2 2.650 . 2.800 2.131 2.086 2.182 . 0 0 "[ . 1 . 2]" 1
515 1 28 LEU HA 1 28 LEU HG 3.650 . 5.500 3.261 3.196 3.369 . 0 0 "[ . 1 . 2]" 1
516 1 28 LEU HB2 1 29 ASN QB 3.650 . 4.500 3.656 3.551 3.731 . 0 0 "[ . 1 . 2]" 1
517 1 28 LEU HB2 1 29 ASN HD21 3.650 . 5.500 3.844 2.674 4.800 . 0 0 "[ . 1 . 2]" 1
518 1 28 LEU HB2 1 29 ASN HD22 3.650 . 5.500 4.353 3.662 4.883 . 0 0 "[ . 1 . 2]" 1
519 1 28 LEU HB2 1 32 TYR QD 2.650 . 3.500 2.650 2.385 2.795 . 0 0 "[ . 1 . 2]" 1
520 1 28 LEU HB2 1 32 TYR QE 3.650 . 5.500 4.362 4.023 4.773 . 0 0 "[ . 1 . 2]" 1
521 1 28 LEU HB2 1 33 SER HA 3.150 . 4.500 3.625 3.403 3.908 . 0 0 "[ . 1 . 2]" 1
522 1 28 LEU HB3 1 28 LEU MD1 2.300 . 2.800 2.348 2.314 2.374 . 0 0 "[ . 1 . 2]" 1
523 1 28 LEU HB3 1 28 LEU MD2 2.300 . 2.800 2.423 2.393 2.484 . 0 0 "[ . 1 . 2]" 1
524 1 28 LEU HB3 1 28 LEU MD2 2.300 . 2.800 2.002 1.994 2.018 . 0 0 "[ . 1 . 2]" 1
525 1 28 LEU HB3 1 32 TYR QD 2.650 . 3.500 3.482 3.296 3.527 0.027 3 0 "[ . 1 . 2]" 1
526 1 28 LEU HB3 1 29 ASN H 2.650 . 3.500 3.040 2.956 3.100 . 0 0 "[ . 1 . 2]" 1
527 1 28 LEU HB3 1 29 ASN QB 3.650 . 5.500 4.707 4.634 4.777 . 0 0 "[ . 1 . 2]" 1
528 1 28 LEU HB3 1 29 ASN HD21 3.650 . 5.500 4.572 3.465 5.503 0.003 11 0 "[ . 1 . 2]" 1
529 1 28 LEU HB3 1 29 ASN HD22 3.650 . 5.500 4.440 3.663 5.100 . 0 0 "[ . 1 . 2]" 1
530 1 28 LEU HB3 1 32 TYR QD 3.150 . 4.500 3.884 3.755 4.187 . 0 0 "[ . 1 . 2]" 1
531 1 28 LEU MD1 1 32 TYR QD 3.150 . 3.500 2.339 2.160 2.538 . 0 0 "[ . 1 . 2]" 1
532 1 28 LEU MD1 1 32 TYR QE 3.150 . 4.500 2.356 2.117 2.898 . 0 0 "[ . 1 . 2]" 1
533 1 28 LEU MD1 1 33 SER HA 3.650 . 5.500 4.058 3.850 4.260 . 0 0 "[ . 1 . 2]" 1
534 1 28 LEU MD2 1 32 TYR QD 3.650 . 5.500 4.798 4.635 4.888 . 0 0 "[ . 1 . 2]" 1
535 1 28 LEU MD2 1 33 SER HA 3.650 . 5.500 4.499 4.205 4.709 . 0 0 "[ . 1 . 2]" 1
536 1 28 LEU HG 1 32 TYR QD 3.650 . 5.500 3.950 3.642 4.173 . 0 0 "[ . 1 . 2]" 1
537 1 28 LEU HG 1 33 SER HA 3.150 . 3.500 3.139 2.840 3.381 . 0 0 "[ . 1 . 2]" 1
538 1 28 LEU HG 1 34 GLN H 2.650 . 3.500 2.918 2.685 3.230 . 0 0 "[ . 1 . 2]" 1
539 1 28 LEU HG 1 34 GLN H 2.650 . 3.500 2.410 2.323 2.766 . 0 0 "[ . 1 . 2]" 1
540 1 28 LEU HG 1 34 GLN QG 2.300 . 2.800 2.072 2.014 2.089 . 0 0 "[ . 1 . 2]" 1
541 1 28 LEU HG 1 36 LEU HG 3.650 . 5.500 5.105 4.741 5.467 . 0 0 "[ . 1 . 2]" 1
542 1 29 ASN H 1 29 ASN HA 2.650 . 3.500 2.879 2.871 2.886 . 0 0 "[ . 1 . 2]" 1
543 1 29 ASN H 1 29 ASN QB 2.650 . 3.500 2.265 2.181 2.342 . 0 0 "[ . 1 . 2]" 1
544 1 29 ASN HA 1 29 ASN QB 2.300 . 2.800 2.381 2.349 2.412 . 0 0 "[ . 1 . 2]" 1
545 1 29 ASN HA 1 29 ASN HD21 3.650 . 5.500 4.276 3.920 4.536 . 0 0 "[ . 1 . 2]" 1
546 1 29 ASN HA 1 30 PRO HD2 2.650 . 3.500 3.216 3.156 3.322 . 0 0 "[ . 1 . 2]" 1
547 1 29 ASN HA 1 30 PRO HD2 2.650 . 3.500 2.611 2.107 2.995 . 0 0 "[ . 1 . 2]" 1
548 1 29 ASN HA 1 30 PRO HD3 2.650 . 2.800 2.219 2.155 2.285 . 0 0 "[ . 1 . 2]" 1
549 1 29 ASN HA 1 30 PRO HG2 3.650 . 5.500 4.825 4.767 4.886 . 0 0 "[ . 1 . 2]" 1
550 1 29 ASN HA 1 30 PRO HG3 3.650 . 4.500 4.245 4.185 4.302 . 0 0 "[ . 1 . 2]" 1
551 1 29 ASN QB 1 29 ASN HD21 2.300 . 2.800 2.186 2.129 2.256 . 0 0 "[ . 1 . 2]" 1
552 1 29 ASN QB 1 29 ASN HD22 2.650 . 3.500 3.238 3.184 3.308 . 0 0 "[ . 1 . 2]" 1
553 1 29 ASN QB 1 30 PRO HB2 3.650 . 5.500 4.462 4.356 4.535 . 0 0 "[ . 1 . 2]" 1
554 1 29 ASN QB 1 30 PRO HD2 2.300 . 2.800 2.184 2.092 2.259 . 0 0 "[ . 1 . 2]" 1
555 1 29 ASN QB 1 30 PRO HD3 2.300 . 2.800 2.786 2.659 2.807 0.007 10 0 "[ . 1 . 2]" 1
556 1 29 ASN QB 1 30 PRO HG2 3.650 . 4.500 4.370 4.288 4.438 . 0 0 "[ . 1 . 2]" 1
557 1 29 ASN QB 1 30 PRO HG3 3.650 . 5.500 4.634 4.563 4.677 . 0 0 "[ . 1 . 2]" 1
558 1 29 ASN QB 1 31 TYR H 3.650 . 5.500 2.680 2.487 2.901 . 0 0 "[ . 1 . 2]" 1
559 1 29 ASN QB 1 31 TYR QD 3.650 . 4.500 3.812 3.460 4.151 . 0 0 "[ . 1 . 2]" 1
560 1 29 ASN QB 1 31 TYR QE 4.150 . 6.500 5.559 5.106 5.911 . 0 0 "[ . 1 . 2]" 1
561 1 29 ASN QB 1 32 TYR H 3.650 . 5.500 1.978 1.796 2.181 0.004 20 0 "[ . 1 . 2]" 1
562 1 29 ASN QB 1 32 TYR QD 3.650 . 5.500 3.832 3.627 3.995 . 0 0 "[ . 1 . 2]" 1
563 1 29 ASN HD21 1 30 PRO HD2 4.150 . 6.500 5.285 4.958 5.711 . 0 0 "[ . 1 . 2]" 1
564 1 29 ASN HD21 1 30 PRO HD3 4.150 . 6.500 5.674 5.548 5.773 . 0 0 "[ . 1 . 2]" 1
565 1 29 ASN HD21 1 31 TYR HB2 4.150 . 6.500 5.533 4.656 6.315 . 0 0 "[ . 1 . 2]" 1
566 1 29 ASN HD21 1 32 TYR QB 3.650 . 4.500 2.099 1.894 2.367 . 0 0 "[ . 1 . 2]" 1
567 1 29 ASN HD22 1 32 TYR QB 2.650 . 3.500 3.437 3.077 3.538 0.038 18 0 "[ . 1 . 2]" 1
568 1 30 PRO HA 1 30 PRO HB3 2.300 . 2.800 2.306 2.295 2.322 . 0 0 "[ . 1 . 2]" 1
569 1 30 PRO HA 1 30 PRO HG2 3.650 . 4.500 3.953 3.924 3.990 . 0 0 "[ . 1 . 2]" 1
570 1 30 PRO HA 1 31 TYR H 3.650 . 5.500 3.520 3.473 3.597 . 0 0 "[ . 1 . 2]" 1
571 1 30 PRO HA 1 31 TYR QD 3.650 . 5.500 5.001 4.650 5.277 . 0 0 "[ . 1 . 2]" 1
572 1 30 PRO HA 1 32 TYR H 3.650 . 5.500 4.620 4.517 4.735 . 0 0 "[ . 1 . 2]" 1
573 1 30 PRO HB2 1 30 PRO HD2 3.150 . 3.500 2.891 2.838 2.962 . 0 0 "[ . 1 . 2]" 1
574 1 30 PRO HB2 1 30 PRO HD3 3.650 . 4.500 3.865 3.846 3.891 . 0 0 "[ . 1 . 2]" 1
575 1 30 PRO HB2 1 31 TYR H 3.150 . 4.500 2.786 2.573 2.949 . 0 0 "[ . 1 . 2]" 1
576 1 30 PRO HB2 1 31 TYR QD 3.150 . 4.500 2.791 2.306 3.482 . 0 0 "[ . 1 . 2]" 1
577 1 30 PRO HB2 1 31 TYR QE 3.650 . 4.500 3.208 2.883 3.574 . 0 0 "[ . 1 . 2]" 1
578 1 30 PRO HB3 1 30 PRO HD3 3.650 . 5.500 4.075 4.046 4.095 . 0 0 "[ . 1 . 2]" 1
579 1 30 PRO HB3 1 31 TYR QD 3.650 . 5.500 4.452 4.048 4.860 . 0 0 "[ . 1 . 2]" 1
580 1 30 PRO HB3 1 31 TYR QE 3.650 . 5.500 4.532 4.109 4.928 . 0 0 "[ . 1 . 2]" 1
581 1 30 PRO HD2 1 30 PRO HG3 2.650 . 3.500 2.990 2.973 3.001 . 0 0 "[ . 1 . 2]" 1
582 1 30 PRO HD2 1 31 TYR H 3.150 . 4.500 2.612 2.489 2.747 . 0 0 "[ . 1 . 2]" 1
583 1 30 PRO HD2 1 31 TYR QD 3.150 . 4.500 3.033 2.700 3.640 . 0 0 "[ . 1 . 2]" 1
584 1 30 PRO HD2 1 31 TYR QE 3.150 . 4.500 4.297 3.724 4.526 0.026 9 0 "[ . 1 . 2]" 1
585 1 30 PRO HD3 1 30 PRO HG2 2.650 . 3.500 2.679 2.664 2.692 . 0 0 "[ . 1 . 2]" 1
586 1 30 PRO HD3 1 30 PRO HG3 2.650 . 2.800 2.331 2.308 2.348 . 0 0 "[ . 1 . 2]" 1
587 1 30 PRO HD3 1 31 TYR H 3.650 . 5.500 3.887 3.788 4.067 . 0 0 "[ . 1 . 2]" 1
588 1 30 PRO HD3 1 31 TYR QD 3.650 . 5.500 4.744 4.390 5.339 . 0 0 "[ . 1 . 2]" 1
589 1 30 PRO HD3 1 31 TYR QE 4.150 . 6.500 5.726 5.171 6.001 . 0 0 "[ . 1 . 2]" 1
590 1 30 PRO HG2 1 31 TYR QD 3.650 . 5.500 3.815 3.389 4.550 . 0 0 "[ . 1 . 2]" 1
591 1 30 PRO HG2 1 31 TYR QE 3.650 . 5.500 3.095 2.961 3.314 . 0 0 "[ . 1 . 2]" 1
592 1 31 TYR H 1 31 TYR HA 2.650 . 3.500 2.931 2.918 2.948 . 0 0 "[ . 1 . 2]" 1
593 1 31 TYR H 1 31 TYR HB3 3.150 . 4.500 3.694 3.645 3.741 . 0 0 "[ . 1 . 2]" 1
594 1 31 TYR H 1 31 TYR QD 2.650 . 3.500 2.430 2.173 3.135 . 0 0 "[ . 1 . 2]" 1
595 1 31 TYR H 1 32 TYR H 2.300 . 2.800 2.144 2.048 2.261 . 0 0 "[ . 1 . 2]" 1
596 1 31 TYR HA 1 31 TYR HB2 2.650 . 3.500 3.025 3.015 3.038 . 0 0 "[ . 1 . 2]" 1
597 1 31 TYR HA 1 31 TYR HB3 2.650 . 2.800 2.449 2.399 2.505 . 0 0 "[ . 1 . 2]" 1
598 1 31 TYR HA 1 31 TYR QD 2.650 . 3.500 3.016 2.449 3.197 . 0 0 "[ . 1 . 2]" 1
599 1 31 TYR HA 1 32 TYR H 3.150 . 4.500 3.480 3.435 3.507 . 0 0 "[ . 1 . 2]" 1
600 1 31 TYR HB2 1 31 TYR QD 2.300 . 2.800 2.442 2.297 2.569 . 0 0 "[ . 1 . 2]" 1
601 1 31 TYR HB2 1 31 TYR QE 3.150 . 4.500 4.423 4.389 4.471 . 0 0 "[ . 1 . 2]" 1
602 1 31 TYR HB3 1 31 TYR QD 2.300 . 2.800 2.373 2.298 2.573 . 0 0 "[ . 1 . 2]" 1
603 1 31 TYR HB3 1 32 TYR H 3.650 . 5.500 4.009 3.923 4.103 . 0 0 "[ . 1 . 2]" 1
604 1 32 TYR H 1 32 TYR QB 2.300 . 2.800 2.473 2.416 2.520 . 0 0 "[ . 1 . 2]" 1
605 1 32 TYR HA 1 32 TYR QB 2.650 . 3.500 2.374 2.336 2.421 . 0 0 "[ . 1 . 2]" 1
606 1 32 TYR HA 1 32 TYR QE 3.650 . 5.500 4.523 4.463 4.633 . 0 0 "[ . 1 . 2]" 1
607 1 32 TYR HA 1 33 SER H 2.300 . 2.800 2.076 2.028 2.114 . 0 0 "[ . 1 . 2]" 1
608 1 32 TYR QB 1 32 TYR QD 2.300 . 2.800 2.144 2.136 2.155 . 0 0 "[ . 1 . 2]" 1
609 1 32 TYR QB 1 32 TYR QE 3.150 . 4.500 3.938 3.921 3.952 . 0 0 "[ . 1 . 2]" 1
610 1 32 TYR QD 1 33 SER HA 3.650 . 5.500 4.222 3.941 4.422 . 0 0 "[ . 1 . 2]" 1
611 1 32 TYR QE 1 34 GLN HA 3.650 . 5.500 4.545 4.096 5.093 . 0 0 "[ . 1 . 2]" 1
612 1 32 TYR QE 1 34 GLN QB 2.650 . 3.500 2.579 2.043 3.310 . 0 0 "[ . 1 . 2]" 1
613 1 32 TYR QE 1 34 GLN QG 3.650 . 5.500 3.740 2.778 4.156 . 0 0 "[ . 1 . 2]" 1
614 1 33 SER H 1 33 SER HB2 2.650 . 3.500 2.614 2.536 2.694 . 0 0 "[ . 1 . 2]" 1
615 1 33 SER H 1 33 SER HB3 3.150 . 4.500 3.735 3.693 3.779 . 0 0 "[ . 1 . 2]" 1
616 1 33 SER HA 1 33 SER HB2 2.650 . 3.500 3.035 3.026 3.051 . 0 0 "[ . 1 . 2]" 1
617 1 33 SER HA 1 33 SER HB3 2.650 . 2.800 2.454 2.419 2.511 . 0 0 "[ . 1 . 2]" 1
618 1 33 SER HA 1 34 GLN H 2.300 . 2.800 2.303 2.249 2.359 . 0 0 "[ . 1 . 2]" 1
619 1 33 SER HB2 1 34 GLN H 3.150 . 4.500 3.940 3.844 4.058 . 0 0 "[ . 1 . 2]" 1
620 1 33 SER HB2 1 34 GLN H 3.150 . 4.500 3.643 3.577 3.733 . 0 0 "[ . 1 . 2]" 1
621 1 33 SER HB3 1 34 GLN H 2.650 . 3.500 3.078 2.929 3.238 . 0 0 "[ . 1 . 2]" 1
622 1 33 SER HB3 1 35 CYS HA 4.150 . 6.500 6.244 6.078 6.417 . 0 0 "[ . 1 . 2]" 1
623 1 34 GLN H 1 34 GLN QG 3.150 . 4.500 3.903 2.452 4.102 . 0 0 "[ . 1 . 2]" 1
624 1 34 GLN H 1 35 CYS HA 3.650 . 5.500 4.866 4.776 4.967 . 0 0 "[ . 1 . 2]" 1
625 1 34 GLN HA 1 34 GLN QB 2.300 . 2.800 2.323 2.171 2.379 . 0 0 "[ . 1 . 2]" 1
626 1 34 GLN HA 1 34 GLN QG 2.650 . 3.500 2.565 2.422 3.361 . 0 0 "[ . 1 . 2]" 1
627 1 34 GLN HA 1 35 CYS H 2.300 . 2.800 2.201 2.170 2.238 . 0 0 "[ . 1 . 2]" 1
628 1 34 GLN QB 1 34 GLN HE21 3.650 . 5.500 2.519 1.876 2.784 . 0 0 "[ . 1 . 2]" 1
629 1 34 GLN QB 1 34 GLN QG 2.300 . 2.800 2.079 2.068 2.090 . 0 0 "[ . 1 . 2]" 1
630 1 34 GLN QB 1 35 CYS H 3.150 . 4.500 3.527 2.569 3.761 . 0 0 "[ . 1 . 2]" 1
631 1 34 GLN QB 1 36 LEU HG 3.150 . 4.500 3.078 2.407 3.990 . 0 0 "[ . 1 . 2]" 1
632 1 34 GLN HE21 1 36 LEU QD 3.650 . 5.500 3.069 1.758 4.531 0.042 7 0 "[ . 1 . 2]" 1
633 1 34 GLN HE22 1 34 GLN QG 3.150 . 4.500 3.332 3.266 3.489 . 0 0 "[ . 1 . 2]" 1
634 1 34 GLN QG 1 35 CYS H 3.150 . 4.500 2.681 2.306 3.857 . 0 0 "[ . 1 . 2]" 1
635 1 34 GLN QG 1 35 CYS HA 3.150 . 4.500 4.189 3.960 4.513 0.013 2 0 "[ . 1 . 2]" 1
636 1 34 GLN QG 1 36 LEU QD 2.650 . 3.500 2.687 2.355 3.053 . 0 0 "[ . 1 . 2]" 1
637 1 34 GLN QG 1 36 LEU HG 2.650 . 3.500 2.600 2.098 3.229 . 0 0 "[ . 1 . 2]" 1
638 1 35 CYS H 1 35 CYS HB2 2.650 . 3.500 2.524 2.470 2.587 . 0 0 "[ . 1 . 2]" 1
639 1 35 CYS H 1 35 CYS HB3 3.150 . 4.500 3.620 3.575 3.645 . 0 0 "[ . 1 . 2]" 1
640 1 35 CYS HA 1 35 CYS HB2 2.650 . 3.500 3.023 3.016 3.031 . 0 0 "[ . 1 . 2]" 1
641 1 35 CYS HA 1 35 CYS HB3 2.650 . 2.800 2.457 2.423 2.480 . 0 0 "[ . 1 . 2]" 1
642 1 35 CYS HA 1 36 LEU H 2.300 . 2.800 2.080 2.040 2.117 . 0 0 "[ . 1 . 2]" 1
643 1 35 CYS HA 1 36 LEU QB 3.150 . 4.500 4.324 4.241 4.391 . 0 0 "[ . 1 . 2]" 1
644 1 35 CYS HA 1 36 LEU QD 3.150 . 4.500 4.464 4.383 4.538 0.038 18 0 "[ . 1 . 2]" 1
645 1 35 CYS HB3 1 36 LEU H 3.150 . 4.500 3.555 3.457 3.715 . 0 0 "[ . 1 . 2]" 1
646 1 36 LEU H 1 36 LEU HA 2.650 . 3.500 2.912 2.901 2.926 . 0 0 "[ . 1 . 2]" 1
647 1 36 LEU H 1 36 LEU QB 2.650 . 2.800 2.552 2.467 2.632 . 0 0 "[ . 1 . 2]" 1
648 1 36 LEU HA 1 36 LEU QB 2.300 . 2.800 2.381 2.361 2.401 . 0 0 "[ . 1 . 2]" 1
649 1 36 LEU HA 1 36 LEU MD2 2.300 . 2.800 2.096 2.038 2.171 . 0 0 "[ . 1 . 2]" 1
650 1 36 LEU HA 1 36 LEU HG 3.150 . 3.500 3.093 2.976 3.189 . 0 0 "[ . 1 . 2]" 1
651 1 36 LEU QB 1 36 LEU QD 2.300 . 2.800 1.932 1.897 1.954 . 0 0 "[ . 1 . 2]" 1
652 1 36 LEU QB 1 36 LEU HG 2.300 . 2.800 2.381 2.355 2.414 . 0 0 "[ . 1 . 2]" 1
653 2 1 MAN H1 2 1 MAN H2 3.150 . 3.500 2.789 2.479 3.079 . 0 0 "[ . 1 . 2]" 1
654 2 1 MAN H1 2 1 MAN H4 3.150 . 4.500 3.174 2.177 4.028 . 0 0 "[ . 1 . 2]" 1
655 2 1 MAN H2 2 1 MAN H5 2.650 . 3.500 2.366 2.294 2.420 . 0 0 "[ . 1 . 2]" 1
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