NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
642810 |
6rva   |
34408 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6rva
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 623
_Distance_constraint_stats_list.Viol_count 741
_Distance_constraint_stats_list.Viol_total 643.577
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0434
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 PRO 1.331 0.195 9 0 "[ . 1 . 2]"
1 4 GLU 2.277 0.195 9 0 "[ . 1 . 2]"
1 5 THR 1.188 0.135 10 0 "[ . 1 . 2]"
1 6 LEU 0.760 0.077 1 0 "[ . 1 . 2]"
1 7 CYS 0.409 0.060 5 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.563 0.078 7 0 "[ . 1 . 2]"
1 10 GLU 0.134 0.051 3 0 "[ . 1 . 2]"
1 11 LEU 1.471 0.138 5 0 "[ . 1 . 2]"
1 12 VAL 0.061 0.052 1 0 "[ . 1 . 2]"
1 13 ASP 0.563 0.078 7 0 "[ . 1 . 2]"
1 14 ALA 0.823 0.065 20 0 "[ . 1 . 2]"
1 15 LEU 0.588 0.138 5 0 "[ . 1 . 2]"
1 16 GLN 0.505 0.037 18 0 "[ . 1 . 2]"
1 17 PHE 2.374 0.142 20 0 "[ . 1 . 2]"
1 18 VAL 2.249 0.142 20 0 "[ . 1 . 2]"
1 19 CYS 0.067 0.067 20 0 "[ . 1 . 2]"
1 20 GLY 0.396 0.096 20 0 "[ . 1 . 2]"
1 21 ASP 0.130 0.096 20 0 "[ . 1 . 2]"
1 22 ARG 0.671 0.128 10 0 "[ . 1 . 2]"
1 23 GLY 0.123 0.123 19 0 "[ . 1 . 2]"
1 24 PHE 1.798 0.087 16 0 "[ . 1 . 2]"
1 25 TYR 0.724 0.058 1 0 "[ . 1 . 2]"
1 26 PHE 0.734 0.096 20 0 "[ . 1 . 2]"
1 27 ASN 0.078 0.036 15 0 "[ . 1 . 2]"
1 28 LYS 0.160 0.057 9 0 "[ . 1 . 2]"
1 29 PRO 0.341 0.037 7 0 "[ . 1 . 2]"
1 30 THR 0.198 0.063 6 0 "[ . 1 . 2]"
1 31 GLY 1.184 0.118 9 0 "[ . 1 . 2]"
1 32 TYR 1.259 0.118 9 0 "[ . 1 . 2]"
1 33 GLY 0.105 0.045 11 0 "[ . 1 . 2]"
1 34 SER 1.012 0.135 15 0 "[ . 1 . 2]"
1 35 SER 1.720 0.135 15 0 "[ . 1 . 2]"
1 36 SER 1.033 0.121 4 0 "[ . 1 . 2]"
1 37 ARG 0.661 0.121 4 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.048 0.041 2 0 "[ . 1 . 2]"
1 41 GLN 0.747 0.091 15 0 "[ . 1 . 2]"
1 42 THR 1.019 0.091 15 0 "[ . 1 . 2]"
1 43 GLY 0.920 0.102 20 0 "[ . 1 . 2]"
1 44 ILE 3.477 0.114 12 0 "[ . 1 . 2]"
1 45 VAL 1.718 0.097 4 0 "[ . 1 . 2]"
1 46 ASP 0.247 0.041 2 0 "[ . 1 . 2]"
1 47 GLU 0.266 0.059 12 0 "[ . 1 . 2]"
1 48 CYS 1.416 0.077 1 0 "[ . 1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PHE 1.405 0.097 4 0 "[ . 1 . 2]"
1 51 ARG 0.010 0.008 5 0 "[ . 1 . 2]"
1 52 SER 0.002 0.002 12 0 "[ . 1 . 2]"
1 53 CYS 0.761 0.073 18 0 "[ . 1 . 2]"
1 54 ASP 0.015 0.015 20 0 "[ . 1 . 2]"
1 55 LEU 0.358 0.065 5 0 "[ . 1 . 2]"
1 56 ARG 0.084 0.045 20 0 "[ . 1 . 2]"
1 57 ARG 3.479 0.160 7 0 "[ . 1 . 2]"
1 58 LEU 2.906 0.178 4 0 "[ . 1 . 2]"
1 59 ASP 0.432 0.178 4 0 "[ . 1 . 2]"
1 60 MET 0.398 0.059 9 0 "[ . 1 . 2]"
1 61 TYR 3.121 0.102 16 0 "[ . 1 . 2]"
1 62 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 2.407 0.125 1 0 "[ . 1 . 2]"
1 64 PRO 2.690 0.125 1 0 "[ . 1 . 2]"
1 65 LEU 1.071 0.064 17 0 "[ . 1 . 2]"
1 66 LYS 0.623 0.122 20 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.303 0.033 19 0 "[ . 1 . 2]"
1 69 LYS 0.303 0.033 19 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 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 GLY QA 1 2 GLY H 3.400 . 4.100 2.275 2.120 2.588 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLY HA3 1 3 PRO QD 3.000 . 3.600 2.393 2.056 3.472 . 0 0 "[ . 1 . 2]" 1
3 1 3 PRO HA 1 4 GLU H 2.700 . 3.200 2.580 2.152 3.395 0.195 9 0 "[ . 1 . 2]" 1
4 1 3 PRO HB2 1 4 GLU H 3.900 . 4.700 3.440 2.426 3.984 . 0 0 "[ . 1 . 2]" 1
5 1 3 PRO HB3 1 4 GLU H 4.200 2.100 5.000 4.081 3.012 4.654 . 0 0 "[ . 1 . 2]" 1
6 1 3 PRO HD2 1 4 GLU H 4.300 2.200 5.200 4.587 2.722 5.331 0.131 18 0 "[ . 1 . 2]" 1
7 1 4 GLU H 1 4 GLU HB2 3.300 . 4.000 3.119 2.403 4.002 0.002 11 0 "[ . 1 . 2]" 1
8 1 4 GLU H 1 4 GLU HB3 3.700 . 4.400 3.675 2.514 4.076 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU H 1 4 GLU QG 3.600 . 4.300 2.742 2.058 4.295 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLU H 1 5 THR H 3.400 . 4.100 3.010 2.398 4.186 0.086 11 0 "[ . 1 . 2]" 1
11 1 4 GLU HA 1 5 THR H 2.700 . 3.200 2.787 2.127 3.335 0.135 10 0 "[ . 1 . 2]" 1
12 1 4 GLU HB3 1 5 THR H 3.900 . 4.700 4.241 3.516 4.472 . 0 0 "[ . 1 . 2]" 1
13 1 5 THR H 1 5 THR HA 3.000 . 3.600 2.940 2.870 2.959 . 0 0 "[ . 1 . 2]" 1
14 1 5 THR H 1 5 THR HB 3.300 . 4.000 3.515 2.467 3.838 . 0 0 "[ . 1 . 2]" 1
15 1 5 THR H 1 5 THR MG 3.100 . 3.700 2.800 2.052 3.799 0.099 20 0 "[ . 1 . 2]" 1
16 1 5 THR HA 1 6 LEU H 2.800 . 3.400 2.368 2.150 3.167 . 0 0 "[ . 1 . 2]" 1
17 1 5 THR MG 1 6 LEU H 3.700 . 4.400 3.590 2.619 4.200 . 0 0 "[ . 1 . 2]" 1
18 1 6 LEU H 1 6 LEU HB2 4.100 2.100 4.900 2.684 2.477 3.602 . 0 0 "[ . 1 . 2]" 1
19 1 6 LEU H 1 6 LEU HB3 3.300 . 4.000 3.750 3.635 4.026 0.026 16 0 "[ . 1 . 2]" 1
20 1 6 LEU H 1 6 LEU MD1 4.200 2.100 5.000 3.781 2.081 4.265 0.019 2 0 "[ . 1 . 2]" 1
21 1 6 LEU H 1 6 LEU MD2 4.100 2.100 4.900 3.548 2.657 4.138 . 0 0 "[ . 1 . 2]" 1
22 1 6 LEU H 1 6 LEU HG 3.600 . 4.300 2.638 2.365 3.238 . 0 0 "[ . 1 . 2]" 1
23 1 6 LEU HA 1 6 LEU HB3 4.300 2.200 5.200 2.447 2.363 2.534 . 0 0 "[ . 1 . 2]" 1
24 1 6 LEU HB2 1 6 LEU MD1 4.000 . 4.800 2.297 2.079 2.383 . 0 0 "[ . 1 . 2]" 1
25 1 6 LEU HB2 1 6 LEU MD2 3.800 . 4.600 3.176 2.781 3.202 . 0 0 "[ . 1 . 2]" 1
26 1 6 LEU HB3 1 6 LEU MD1 3.000 . 3.600 2.448 2.345 3.055 . 0 0 "[ . 1 . 2]" 1
27 1 6 LEU HB3 1 6 LEU MD2 3.400 . 4.100 2.264 2.085 2.302 . 0 0 "[ . 1 . 2]" 1
28 1 6 LEU HB3 1 11 LEU QD 3.700 . 4.400 2.540 2.030 3.519 . 0 0 "[ . 1 . 2]" 1
29 1 6 LEU MD1 1 14 ALA MB 2.600 . 3.100 2.350 1.875 3.111 0.011 2 0 "[ . 1 . 2]" 1
30 1 6 LEU MD1 1 48 CYS HB2 3.800 . 4.600 4.596 4.296 4.677 0.077 1 0 "[ . 1 . 2]" 1
31 1 6 LEU MD2 1 7 CYS H 3.800 . 4.600 3.823 3.335 4.576 . 0 0 "[ . 1 . 2]" 1
32 1 6 LEU MD2 1 14 ALA H 4.400 2.200 5.300 4.538 3.638 5.349 0.049 5 0 "[ . 1 . 2]" 1
33 1 6 LEU MD2 1 14 ALA MB 2.800 . 3.400 2.757 1.811 3.405 0.005 6 0 "[ . 1 . 2]" 1
34 1 7 CYS H 1 7 CYS HB2 3.000 . 3.600 3.049 2.626 3.416 . 0 0 "[ . 1 . 2]" 1
35 1 7 CYS H 1 7 CYS HB3 3.200 . 3.800 3.406 2.994 3.860 0.060 5 0 "[ . 1 . 2]" 1
36 1 7 CYS H 1 10 GLU HB2 3.800 . 4.600 2.790 1.890 4.613 0.013 11 0 "[ . 1 . 2]" 1
37 1 7 CYS H 1 10 GLU HB3 4.100 2.100 4.900 3.455 2.049 4.894 0.051 3 0 "[ . 1 . 2]" 1
38 1 7 CYS HA 1 8 GLY H 3.600 . 4.300 2.273 2.182 2.409 . 0 0 "[ . 1 . 2]" 1
39 1 7 CYS HA 1 11 LEU HB2 4.400 2.200 5.300 2.356 2.166 3.209 0.034 5 0 "[ . 1 . 2]" 1
40 1 7 CYS HA 1 11 LEU HB3 4.000 . 4.800 3.316 2.895 3.911 . 0 0 "[ . 1 . 2]" 1
41 1 7 CYS HA 1 11 LEU QD 3.700 . 4.400 2.847 2.081 3.460 . 0 0 "[ . 1 . 2]" 1
42 1 7 CYS HB2 1 8 GLY H 4.200 2.100 5.000 4.031 3.693 4.674 . 0 0 "[ . 1 . 2]" 1
43 1 7 CYS HB3 1 8 GLY H 4.000 . 4.800 3.401 2.557 4.345 . 0 0 "[ . 1 . 2]" 1
44 1 8 GLY HA2 1 9 ALA H 3.600 . 4.300 3.107 2.922 3.238 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLY HA2 1 9 ALA MB 4.100 2.100 4.900 4.676 4.523 4.782 . 0 0 "[ . 1 . 2]" 1
46 1 8 GLY HA3 1 9 ALA H 3.300 . 4.000 2.182 2.135 2.281 . 0 0 "[ . 1 . 2]" 1
47 1 9 ALA H 1 9 ALA MB 3.000 . 3.600 2.170 2.118 2.236 . 0 0 "[ . 1 . 2]" 1
48 1 9 ALA H 1 10 GLU H 3.600 . 4.300 2.684 2.668 2.693 . 0 0 "[ . 1 . 2]" 1
49 1 9 ALA HA 1 10 GLU H 3.300 . 4.000 3.533 3.524 3.541 . 0 0 "[ . 1 . 2]" 1
50 1 9 ALA HA 1 12 VAL H 4.100 . 4.900 3.406 3.259 3.484 . 0 0 "[ . 1 . 2]" 1
51 1 9 ALA HA 1 12 VAL QG 3.200 . 3.800 3.151 2.829 3.489 . 0 0 "[ . 1 . 2]" 1
52 1 9 ALA MB 1 10 GLU QG 3.900 . 4.700 3.359 3.119 3.721 . 0 0 "[ . 1 . 2]" 1
53 1 9 ALA MB 1 12 VAL H 4.300 2.200 5.200 4.605 4.468 4.699 . 0 0 "[ . 1 . 2]" 1
54 1 9 ALA MB 1 12 VAL HA 4.300 2.200 5.200 4.778 4.572 4.900 . 0 0 "[ . 1 . 2]" 1
55 1 9 ALA MB 1 12 VAL HB 3.600 . 4.300 3.935 3.631 4.154 . 0 0 "[ . 1 . 2]" 1
56 1 9 ALA MB 1 12 VAL QG 3.700 . 4.400 3.880 3.647 4.071 . 0 0 "[ . 1 . 2]" 1
57 1 9 ALA MB 1 13 ASP QB 3.500 . 4.200 4.184 3.776 4.278 0.078 7 0 "[ . 1 . 2]" 1
58 1 10 GLU H 1 10 GLU HA 3.000 . 3.600 2.811 2.790 2.824 . 0 0 "[ . 1 . 2]" 1
59 1 10 GLU H 1 10 GLU HB2 3.100 . 3.700 2.416 2.370 2.537 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLU H 1 10 GLU HB3 3.300 . 4.000 3.415 2.518 3.579 . 0 0 "[ . 1 . 2]" 1
61 1 10 GLU H 1 10 GLU QG 3.300 . 4.000 2.495 2.139 4.026 0.026 6 0 "[ . 1 . 2]" 1
62 1 10 GLU H 1 11 LEU H 3.400 . 4.100 2.716 2.636 2.811 . 0 0 "[ . 1 . 2]" 1
63 1 10 GLU HA 1 13 ASP QB 3.100 . 3.700 2.762 2.530 3.036 . 0 0 "[ . 1 . 2]" 1
64 1 10 GLU HB3 1 11 LEU H 4.300 2.100 5.200 3.391 2.446 3.700 . 0 0 "[ . 1 . 2]" 1
65 1 11 LEU H 1 11 LEU HB2 4.000 . 4.800 2.568 2.192 2.622 . 0 0 "[ . 1 . 2]" 1
66 1 11 LEU H 1 11 LEU HB3 3.900 . 4.700 2.511 2.456 2.937 . 0 0 "[ . 1 . 2]" 1
67 1 11 LEU H 1 11 LEU QD 4.100 2.100 4.900 3.683 3.347 3.715 . 0 0 "[ . 1 . 2]" 1
68 1 11 LEU HA 1 11 LEU QD 2.900 . 3.500 2.010 1.849 2.041 . 0 0 "[ . 1 . 2]" 1
69 1 11 LEU HA 1 11 LEU HG 3.900 . 4.700 3.107 3.035 3.585 . 0 0 "[ . 1 . 2]" 1
70 1 11 LEU HA 1 12 VAL H 4.100 . 4.900 3.551 3.533 3.563 . 0 0 "[ . 1 . 2]" 1
71 1 11 LEU HA 1 14 ALA H 3.900 . 4.700 3.518 3.429 3.651 . 0 0 "[ . 1 . 2]" 1
72 1 11 LEU HA 1 14 ALA MB 3.300 . 4.000 2.749 2.488 2.903 . 0 0 "[ . 1 . 2]" 1
73 1 11 LEU HA 1 58 LEU MD1 3.600 . 4.300 4.067 2.072 4.365 0.065 5 0 "[ . 1 . 2]" 1
74 1 11 LEU HB2 1 11 LEU QD 3.100 . 3.700 2.094 2.059 2.197 . 0 0 "[ . 1 . 2]" 1
75 1 11 LEU HB2 1 12 VAL H 4.200 2.100 5.000 3.836 3.395 3.903 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU HB3 1 11 LEU QD 3.100 . 3.700 2.280 2.227 2.340 . 0 0 "[ . 1 . 2]" 1
77 1 11 LEU QD 1 12 VAL HA 4.100 2.100 4.900 4.070 3.257 4.175 . 0 0 "[ . 1 . 2]" 1
78 1 11 LEU QD 1 24 PHE QD 4.200 2.100 5.000 5.044 5.003 5.087 0.087 16 0 "[ . 1 . 2]" 1
79 1 11 LEU QD 1 48 CYS H 3.800 . 4.600 3.851 3.383 4.661 0.061 16 0 "[ . 1 . 2]" 1
80 1 11 LEU QD 1 48 CYS HB2 3.400 . 4.100 2.287 1.881 3.037 . 0 0 "[ . 1 . 2]" 1
81 1 11 LEU QD 1 48 CYS HB3 3.600 . 4.300 2.602 2.113 3.371 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU MD1 1 12 VAL H 4.100 2.100 4.900 4.307 3.564 4.423 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU MD1 1 14 ALA H 4.200 2.100 5.000 4.376 4.152 4.603 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU MD1 1 14 ALA MB 3.100 . 3.700 2.772 2.529 3.071 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU MD1 1 15 LEU H 3.500 . 4.200 3.844 3.422 4.124 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU MD2 1 15 LEU MD1 3.200 . 3.800 3.003 2.420 3.938 0.138 5 0 "[ . 1 . 2]" 1
87 1 11 LEU MD2 1 45 VAL HA 3.800 . 4.600 2.115 1.916 2.863 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU HG 1 12 VAL H 4.600 2.300 5.500 3.627 3.436 4.760 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU HG 1 15 LEU MD1 3.600 . 4.300 2.419 1.967 3.856 . 0 0 "[ . 1 . 2]" 1
90 1 12 VAL H 1 12 VAL HB 3.200 . 3.800 2.327 2.304 2.345 . 0 0 "[ . 1 . 2]" 1
91 1 12 VAL H 1 12 VAL QG 2.900 . 3.500 2.338 2.282 2.400 . 0 0 "[ . 1 . 2]" 1
92 1 12 VAL H 1 13 ASP H 3.100 . 3.700 2.726 2.688 2.776 . 0 0 "[ . 1 . 2]" 1
93 1 12 VAL HA 1 12 VAL QG 2.900 . 3.500 2.064 2.035 2.097 . 0 0 "[ . 1 . 2]" 1
94 1 12 VAL HA 1 13 ASP H 3.500 . 4.200 3.148 3.098 3.219 . 0 0 "[ . 1 . 2]" 1
95 1 12 VAL HA 1 15 LEU MD1 3.800 . 4.600 2.261 2.066 2.606 . 0 0 "[ . 1 . 2]" 1
96 1 12 VAL HB 1 13 ASP H 3.100 . 3.700 2.610 2.554 2.686 . 0 0 "[ . 1 . 2]" 1
97 1 12 VAL QG 1 13 ASP H 3.100 . 3.700 2.977 2.910 3.042 . 0 0 "[ . 1 . 2]" 1
98 1 12 VAL QG 1 13 ASP QB 4.000 . 4.800 3.943 3.649 4.236 . 0 0 "[ . 1 . 2]" 1
99 1 12 VAL QG 1 14 ALA H 4.200 2.100 5.000 4.529 4.471 4.595 . 0 0 "[ . 1 . 2]" 1
100 1 12 VAL QG 1 16 GLN H 4.100 2.100 4.900 3.974 3.806 4.132 . 0 0 "[ . 1 . 2]" 1
101 1 12 VAL QG 1 24 PHE QD 4.100 2.100 4.900 4.683 4.125 4.952 0.052 1 0 "[ . 1 . 2]" 1
102 1 12 VAL QG 1 24 PHE QE 3.000 . 3.600 3.060 2.408 3.398 . 0 0 "[ . 1 . 2]" 1
103 1 12 VAL QG 1 24 PHE HZ 3.100 . 3.700 2.221 1.887 2.607 . 0 0 "[ . 1 . 2]" 1
104 1 12 VAL MG1 1 15 LEU MD1 3.900 . 4.700 3.791 3.530 4.214 . 0 0 "[ . 1 . 2]" 1
105 1 13 ASP H 1 13 ASP QB 2.800 . 3.400 2.279 2.244 2.337 . 0 0 "[ . 1 . 2]" 1
106 1 13 ASP HA 1 14 ALA H 3.600 . 4.300 3.548 3.535 3.564 . 0 0 "[ . 1 . 2]" 1
107 1 13 ASP QB 1 14 ALA H 3.200 . 3.800 2.541 2.435 2.653 . 0 0 "[ . 1 . 2]" 1
108 1 14 ALA H 1 14 ALA MB 2.600 . 3.100 2.193 2.125 2.234 . 0 0 "[ . 1 . 2]" 1
109 1 14 ALA H 1 15 LEU H 2.900 . 3.500 2.688 2.658 2.735 . 0 0 "[ . 1 . 2]" 1
110 1 14 ALA HA 1 17 PHE H 3.700 . 4.400 3.423 3.384 3.495 . 0 0 "[ . 1 . 2]" 1
111 1 14 ALA HA 1 17 PHE QB 3.200 . 3.800 2.490 2.393 2.667 . 0 0 "[ . 1 . 2]" 1
112 1 14 ALA MB 1 15 LEU H 2.700 . 3.200 2.523 2.468 2.565 . 0 0 "[ . 1 . 2]" 1
113 1 14 ALA MB 1 17 PHE H 4.400 2.200 5.300 4.575 4.524 4.659 . 0 0 "[ . 1 . 2]" 1
114 1 14 ALA MB 1 17 PHE QB 3.900 . 4.700 3.819 3.751 3.965 . 0 0 "[ . 1 . 2]" 1
115 1 14 ALA MB 1 17 PHE QD 3.700 . 4.400 4.435 4.410 4.465 0.065 20 0 "[ . 1 . 2]" 1
116 1 14 ALA MB 1 18 VAL MG2 4.200 2.100 4.300 3.352 3.090 3.563 . 0 0 "[ . 1 . 2]" 1
117 1 15 LEU H 1 15 LEU QB 2.900 . 3.500 2.338 2.319 2.353 . 0 0 "[ . 1 . 2]" 1
118 1 15 LEU H 1 15 LEU MD1 3.700 . 4.400 3.405 3.334 3.485 . 0 0 "[ . 1 . 2]" 1
119 1 15 LEU H 1 15 LEU MD2 3.600 . 4.300 3.637 3.570 3.741 . 0 0 "[ . 1 . 2]" 1
120 1 15 LEU H 1 15 LEU HG 3.400 . 4.100 2.338 2.296 2.396 . 0 0 "[ . 1 . 2]" 1
121 1 15 LEU HA 1 15 LEU QB 3.900 . 4.700 2.418 2.411 2.427 . 0 0 "[ . 1 . 2]" 1
122 1 15 LEU HA 1 15 LEU MD1 3.800 . 4.600 3.803 3.794 3.809 . 0 0 "[ . 1 . 2]" 1
123 1 15 LEU HA 1 15 LEU MD2 2.900 . 3.500 2.028 1.988 2.056 . 0 0 "[ . 1 . 2]" 1
124 1 15 LEU HA 1 15 LEU HG 3.900 . 4.700 2.728 2.648 2.770 . 0 0 "[ . 1 . 2]" 1
125 1 15 LEU HA 1 17 PHE H 4.200 2.100 5.000 4.458 4.366 4.525 . 0 0 "[ . 1 . 2]" 1
126 1 15 LEU HA 1 18 VAL HB 3.600 . 4.300 2.980 2.746 3.179 . 0 0 "[ . 1 . 2]" 1
127 1 15 LEU HA 1 18 VAL MG1 4.000 . 4.800 4.338 4.110 4.524 . 0 0 "[ . 1 . 2]" 1
128 1 15 LEU HA 1 18 VAL MG2 3.600 . 4.300 3.552 3.355 3.717 . 0 0 "[ . 1 . 2]" 1
129 1 15 LEU HA 1 19 CYS H 3.900 . 4.700 3.869 3.548 4.118 . 0 0 "[ . 1 . 2]" 1
130 1 15 LEU HA 1 58 LEU MD1 3.900 . 4.700 4.546 4.260 4.746 0.046 19 0 "[ . 1 . 2]" 1
131 1 15 LEU MD1 1 15 LEU MD2 2.800 . 3.400 2.074 2.044 2.087 . 0 0 "[ . 1 . 2]" 1
132 1 15 LEU MD1 1 15 LEU HG 3.800 . 4.600 2.150 2.145 2.154 . 0 0 "[ . 1 . 2]" 1
133 1 15 LEU MD1 1 24 PHE HB2 4.300 2.200 5.200 4.167 2.924 5.151 . 0 0 "[ . 1 . 2]" 1
134 1 15 LEU MD1 1 24 PHE QD 3.400 . 4.100 3.155 2.290 4.032 . 0 0 "[ . 1 . 2]" 1
135 1 15 LEU MD1 1 24 PHE QE 3.700 . 4.400 2.707 1.866 3.336 . 0 0 "[ . 1 . 2]" 1
136 1 15 LEU MD1 1 26 PHE QD 3.500 . 4.200 2.796 1.836 4.170 . 0 0 "[ . 1 . 2]" 1
137 1 15 LEU MD1 1 58 LEU MD2 4.100 . 4.900 3.909 3.487 4.441 . 0 0 "[ . 1 . 2]" 1
138 1 15 LEU MD1 1 61 TYR HB2 3.800 . 4.600 4.546 4.022 4.659 0.059 11 0 "[ . 1 . 2]" 1
139 1 15 LEU MD1 1 61 TYR QD 3.900 . 4.700 4.237 2.770 4.727 0.027 15 0 "[ . 1 . 2]" 1
140 1 15 LEU MD2 1 18 VAL MG2 3.700 . 4.400 4.031 3.796 4.195 . 0 0 "[ . 1 . 2]" 1
141 1 15 LEU MD2 1 24 PHE HB2 4.200 2.100 5.000 3.776 2.941 4.934 . 0 0 "[ . 1 . 2]" 1
142 1 15 LEU MD2 1 24 PHE QD 3.700 . 4.400 3.823 3.146 4.407 0.007 4 0 "[ . 1 . 2]" 1
143 1 15 LEU MD2 1 24 PHE QE 3.900 . 4.700 4.451 3.995 4.723 0.023 4 0 "[ . 1 . 2]" 1
144 1 15 LEU MD2 1 25 TYR QE 4.100 . 4.900 4.240 3.571 4.632 . 0 0 "[ . 1 . 2]" 1
145 1 15 LEU MD2 1 58 LEU HG 3.800 . 4.600 2.257 1.999 2.582 . 0 0 "[ . 1 . 2]" 1
146 1 15 LEU MD2 1 61 TYR H 4.100 2.100 4.900 4.698 3.936 4.932 0.032 2 0 "[ . 1 . 2]" 1
147 1 15 LEU MD2 1 61 TYR HB2 3.300 . 4.000 2.952 2.172 3.326 . 0 0 "[ . 1 . 2]" 1
148 1 15 LEU MD2 1 61 TYR HB3 3.900 . 4.700 3.701 2.178 4.455 . 0 0 "[ . 1 . 2]" 1
149 1 15 LEU MD2 1 61 TYR QD 3.300 . 4.000 2.694 1.878 3.107 . 0 0 "[ . 1 . 2]" 1
150 1 16 GLN H 1 16 GLN HA 2.700 . 3.200 2.835 2.820 2.842 . 0 0 "[ . 1 . 2]" 1
151 1 16 GLN H 1 16 GLN HB2 3.200 . 3.800 2.459 2.376 2.523 . 0 0 "[ . 1 . 2]" 1
152 1 16 GLN H 1 16 GLN HB3 3.100 . 3.700 2.971 2.549 3.581 . 0 0 "[ . 1 . 2]" 1
153 1 16 GLN H 1 16 GLN HG2 3.800 . 4.600 4.080 2.313 4.636 0.036 4 0 "[ . 1 . 2]" 1
154 1 16 GLN H 1 16 GLN HG3 3.700 . 4.400 3.640 2.289 4.437 0.037 18 0 "[ . 1 . 2]" 1
155 1 16 GLN H 1 17 PHE H 3.100 . 3.700 2.623 2.596 2.691 . 0 0 "[ . 1 . 2]" 1
156 1 16 GLN HA 1 16 GLN HG2 3.600 . 4.300 2.918 2.407 3.683 . 0 0 "[ . 1 . 2]" 1
157 1 16 GLN HA 1 16 GLN HG3 4.400 2.200 5.300 2.704 2.399 3.675 . 0 0 "[ . 1 . 2]" 1
158 1 16 GLN HA 1 17 PHE H 3.500 . 4.200 3.541 3.533 3.555 . 0 0 "[ . 1 . 2]" 1
159 1 16 GLN HA 1 19 CYS H 4.000 . 4.800 3.696 3.522 3.940 . 0 0 "[ . 1 . 2]" 1
160 1 16 GLN HA 1 24 PHE QD 4.000 . 4.800 2.971 2.308 3.656 . 0 0 "[ . 1 . 2]" 1
161 1 16 GLN HA 1 24 PHE QE 3.300 . 4.000 2.624 2.461 2.836 . 0 0 "[ . 1 . 2]" 1
162 1 16 GLN HA 1 24 PHE HZ 4.200 2.100 5.000 4.969 4.706 5.025 0.025 4 0 "[ . 1 . 2]" 1
163 1 16 GLN HB2 1 17 PHE H 3.500 . 4.200 3.278 2.599 3.743 . 0 0 "[ . 1 . 2]" 1
164 1 16 GLN HB2 1 17 PHE QD 4.100 . 4.900 4.211 4.128 4.347 . 0 0 "[ . 1 . 2]" 1
165 1 16 GLN HB3 1 17 PHE H 3.600 . 4.300 2.981 2.467 3.593 . 0 0 "[ . 1 . 2]" 1
166 1 16 GLN HB3 1 24 PHE QE 4.200 2.100 5.000 3.942 3.465 4.335 . 0 0 "[ . 1 . 2]" 1
167 1 16 GLN HE21 1 18 VAL HA 3.900 . 4.700 2.937 2.843 3.102 . 0 0 "[ . 1 . 2]" 1
168 1 16 GLN HG2 1 24 PHE QE 3.900 . 4.700 3.610 1.936 4.729 0.029 20 0 "[ . 1 . 2]" 1
169 1 16 GLN HG3 1 24 PHE QE 4.000 . 4.800 3.146 1.978 4.744 0.022 17 0 "[ . 1 . 2]" 1
170 1 17 PHE H 1 17 PHE QB 2.700 . 3.200 2.225 2.212 2.234 . 0 0 "[ . 1 . 2]" 1
171 1 17 PHE H 1 17 PHE QD 4.000 . 4.800 4.131 4.112 4.148 . 0 0 "[ . 1 . 2]" 1
172 1 17 PHE H 1 18 VAL H 3.200 . 3.800 2.769 2.709 2.800 . 0 0 "[ . 1 . 2]" 1
173 1 17 PHE H 1 18 VAL MG2 4.100 2.100 4.900 4.303 4.214 4.369 . 0 0 "[ . 1 . 2]" 1
174 1 17 PHE HA 1 17 PHE QD 3.100 . 3.700 2.827 2.770 2.863 . 0 0 "[ . 1 . 2]" 1
175 1 17 PHE HA 1 17 PHE QE 4.000 . 4.800 4.691 4.662 4.709 . 0 0 "[ . 1 . 2]" 1
176 1 17 PHE HA 1 18 VAL H 3.700 . 4.400 3.563 3.556 3.570 . 0 0 "[ . 1 . 2]" 1
177 1 17 PHE QB 1 17 PHE QD 2.800 . 3.400 2.151 2.147 2.155 . 0 0 "[ . 1 . 2]" 1
178 1 17 PHE QB 1 17 PHE QE 3.700 . 4.400 3.965 3.962 3.967 . 0 0 "[ . 1 . 2]" 1
179 1 17 PHE QB 1 18 VAL H 3.100 . 3.700 2.433 2.400 2.479 . 0 0 "[ . 1 . 2]" 1
180 1 17 PHE QB 1 18 VAL MG2 3.800 . 4.600 3.108 2.972 3.256 . 0 0 "[ . 1 . 2]" 1
181 1 17 PHE QD 1 18 VAL MG1 3.500 . 4.200 4.279 4.245 4.342 0.142 20 0 "[ . 1 . 2]" 1
182 1 17 PHE QD 1 18 VAL MG2 3.200 . 3.800 2.123 1.992 2.296 . 0 0 "[ . 1 . 2]" 1
183 1 17 PHE QE 1 18 VAL MG1 4.000 . 4.800 4.121 3.380 4.503 . 0 0 "[ . 1 . 2]" 1
184 1 17 PHE QE 1 18 VAL MG2 3.900 . 4.700 3.337 3.119 3.521 . 0 0 "[ . 1 . 2]" 1
185 1 17 PHE QE 1 45 VAL MG2 4.200 2.100 5.000 4.762 3.927 5.046 0.046 7 0 "[ . 1 . 2]" 1
186 1 18 VAL H 1 18 VAL HB 3.100 . 3.700 2.437 2.417 2.472 . 0 0 "[ . 1 . 2]" 1
187 1 18 VAL H 1 18 VAL MG1 3.400 . 4.100 3.731 3.724 3.740 . 0 0 "[ . 1 . 2]" 1
188 1 18 VAL H 1 18 VAL MG2 2.900 . 3.500 2.152 2.077 2.246 . 0 0 "[ . 1 . 2]" 1
189 1 18 VAL H 1 19 CYS H 3.200 . 3.800 2.718 2.647 2.763 . 0 0 "[ . 1 . 2]" 1
190 1 18 VAL H 1 20 GLY H 4.100 . 4.900 4.302 3.774 4.964 0.064 20 0 "[ . 1 . 2]" 1
191 1 18 VAL HA 1 18 VAL MG1 3.000 . 3.600 2.377 2.340 2.399 . 0 0 "[ . 1 . 2]" 1
192 1 18 VAL HA 1 18 VAL MG2 3.000 . 3.600 2.326 2.229 2.377 . 0 0 "[ . 1 . 2]" 1
193 1 18 VAL HA 1 19 CYS H 3.600 . 4.300 3.555 3.525 3.568 . 0 0 "[ . 1 . 2]" 1
194 1 18 VAL HB 1 19 CYS H 3.300 . 4.000 2.487 2.408 2.621 . 0 0 "[ . 1 . 2]" 1
195 1 18 VAL MG1 1 18 VAL MG2 2.700 . 3.200 2.073 2.048 2.085 . 0 0 "[ . 1 . 2]" 1
196 1 18 VAL MG1 1 19 CYS H 3.500 . 4.200 3.220 3.126 3.322 . 0 0 "[ . 1 . 2]" 1
197 1 18 VAL MG1 1 19 CYS HA 3.700 . 4.400 3.417 3.235 3.761 . 0 0 "[ . 1 . 2]" 1
198 1 18 VAL MG1 1 20 GLY H 3.900 . 4.700 4.396 3.967 4.704 0.004 20 0 "[ . 1 . 2]" 1
199 1 18 VAL MG1 1 58 LEU HB3 3.900 . 4.700 3.126 2.088 3.939 . 0 0 "[ . 1 . 2]" 1
200 1 18 VAL MG1 1 59 ASP H 3.600 . 4.300 3.517 2.787 4.255 . 0 0 "[ . 1 . 2]" 1
201 1 18 VAL MG1 1 59 ASP HB2 3.600 . 4.300 3.164 2.372 4.332 0.032 3 0 "[ . 1 . 2]" 1
202 1 18 VAL MG1 1 59 ASP HB3 3.600 . 4.300 4.019 3.160 4.354 0.054 4 0 "[ . 1 . 2]" 1
203 1 18 VAL MG2 1 19 CYS H 3.500 . 4.200 3.850 3.797 3.904 . 0 0 "[ . 1 . 2]" 1
204 1 18 VAL MG2 1 58 LEU HB3 4.100 . 4.900 3.470 2.623 4.062 . 0 0 "[ . 1 . 2]" 1
205 1 18 VAL MG2 1 58 LEU MD1 4.000 . 4.800 4.601 2.912 4.850 0.050 13 0 "[ . 1 . 2]" 1
206 1 18 VAL MG2 1 58 LEU MD2 3.500 . 3.800 2.280 1.887 2.621 . 0 0 "[ . 1 . 2]" 1
207 1 19 CYS H 1 19 CYS HB2 3.200 . 3.800 2.515 2.436 2.675 . 0 0 "[ . 1 . 2]" 1
208 1 19 CYS H 1 19 CYS HB3 3.600 . 4.300 3.649 3.577 3.800 . 0 0 "[ . 1 . 2]" 1
209 1 19 CYS H 1 20 GLY H 3.200 . 3.800 2.815 2.453 3.399 . 0 0 "[ . 1 . 2]" 1
210 1 19 CYS HA 1 20 GLY H 3.700 . 4.400 3.165 2.435 3.552 . 0 0 "[ . 1 . 2]" 1
211 1 19 CYS HB2 1 20 GLY H 4.000 . 4.800 3.325 1.933 4.475 0.067 20 0 "[ . 1 . 2]" 1
212 1 19 CYS HB3 1 24 PHE QD 4.000 . 4.800 4.009 3.378 4.628 . 0 0 "[ . 1 . 2]" 1
213 1 20 GLY H 1 20 GLY HA2 3.000 . 3.600 2.488 2.289 2.863 . 0 0 "[ . 1 . 2]" 1
214 1 20 GLY H 1 20 GLY HA3 3.000 . 3.600 2.644 2.296 2.924 . 0 0 "[ . 1 . 2]" 1
215 1 20 GLY H 1 21 ASP H 4.200 2.100 5.000 3.831 2.580 4.615 . 0 0 "[ . 1 . 2]" 1
216 1 20 GLY HA3 1 21 ASP H 3.100 . 3.700 2.518 2.145 3.571 . 0 0 "[ . 1 . 2]" 1
217 1 20 GLY HA3 1 21 ASP QB 3.900 . 4.700 4.409 4.105 4.796 0.096 20 0 "[ . 1 . 2]" 1
218 1 21 ASP H 1 21 ASP QB 3.100 . 3.700 2.518 2.225 3.427 . 0 0 "[ . 1 . 2]" 1
219 1 21 ASP H 1 22 ARG H 3.500 . 4.200 2.617 2.209 2.748 . 0 0 "[ . 1 . 2]" 1
220 1 22 ARG H 1 22 ARG HB2 3.400 . 4.100 2.429 2.374 2.664 . 0 0 "[ . 1 . 2]" 1
221 1 22 ARG H 1 22 ARG HB3 3.200 . 3.800 3.594 3.564 3.789 . 0 0 "[ . 1 . 2]" 1
222 1 22 ARG H 1 22 ARG QD 3.800 . 4.600 4.131 3.673 4.728 0.128 10 0 "[ . 1 . 2]" 1
223 1 22 ARG H 1 22 ARG HG2 3.300 . 4.000 3.440 2.159 4.005 0.005 19 0 "[ . 1 . 2]" 1
224 1 22 ARG H 1 22 ARG HG3 3.400 . 4.100 2.414 2.150 3.513 . 0 0 "[ . 1 . 2]" 1
225 1 22 ARG H 1 23 GLY H 3.300 . 4.000 2.698 1.832 4.123 0.123 19 0 "[ . 1 . 2]" 1
226 1 22 ARG HA 1 22 ARG HE 4.500 2.200 5.400 4.733 2.464 5.221 . 0 0 "[ . 1 . 2]" 1
227 1 22 ARG HA 1 23 GLY H 3.900 . 4.700 3.467 2.109 3.547 . 0 0 "[ . 1 . 2]" 1
228 1 22 ARG HB2 1 22 ARG QD 3.300 . 4.000 2.780 2.341 3.337 . 0 0 "[ . 1 . 2]" 1
229 1 22 ARG HB2 1 22 ARG HE 3.500 . 4.200 2.884 2.198 4.320 0.120 2 0 "[ . 1 . 2]" 1
230 1 22 ARG HB2 1 63 ALA H 4.000 . 4.800 4.410 3.794 4.830 0.030 16 0 "[ . 1 . 2]" 1
231 1 22 ARG HB3 1 22 ARG QD 3.500 . 4.200 2.441 2.191 2.924 . 0 0 "[ . 1 . 2]" 1
232 1 22 ARG HB3 1 22 ARG HE 3.700 . 4.400 3.334 2.208 4.438 0.038 19 0 "[ . 1 . 2]" 1
233 1 22 ARG HB3 1 63 ALA H 4.000 . 4.800 3.649 2.796 4.457 . 0 0 "[ . 1 . 2]" 1
234 1 22 ARG HD2 1 65 LEU MD1 4.000 . 4.800 4.269 2.048 4.844 0.044 8 0 "[ . 1 . 2]" 1
235 1 22 ARG HD3 1 65 LEU MD1 3.900 . 4.700 3.849 2.143 4.686 . 0 0 "[ . 1 . 2]" 1
236 1 22 ARG HD3 1 65 LEU MD2 4.000 . 4.800 2.771 1.995 4.807 0.007 3 0 "[ . 1 . 2]" 1
237 1 22 ARG HE 1 22 ARG HG2 3.700 . 4.400 3.495 2.152 3.991 . 0 0 "[ . 1 . 2]" 1
238 1 22 ARG HE 1 22 ARG HG3 3.800 . 4.600 3.058 2.380 4.008 . 0 0 "[ . 1 . 2]" 1
239 1 23 GLY HA2 1 24 PHE H 3.200 . 3.800 2.612 2.301 2.782 . 0 0 "[ . 1 . 2]" 1
240 1 23 GLY HA2 1 24 PHE QD 3.900 . 4.700 2.914 2.816 3.174 . 0 0 "[ . 1 . 2]" 1
241 1 23 GLY HA3 1 24 PHE H 3.200 . 3.800 2.549 2.395 2.880 . 0 0 "[ . 1 . 2]" 1
242 1 23 GLY HA3 1 24 PHE QD 4.100 . 4.900 4.172 3.989 4.534 . 0 0 "[ . 1 . 2]" 1
243 1 24 PHE H 1 24 PHE HB2 3.900 . 4.700 3.925 3.651 3.971 . 0 0 "[ . 1 . 2]" 1
244 1 24 PHE H 1 24 PHE HB3 3.700 . 4.400 3.378 3.282 3.464 . 0 0 "[ . 1 . 2]" 1
245 1 24 PHE H 1 24 PHE QD 3.600 . 4.300 2.757 2.485 3.023 . 0 0 "[ . 1 . 2]" 1
246 1 24 PHE HA 1 24 PHE QD 3.600 . 4.300 3.692 3.611 3.703 . 0 0 "[ . 1 . 2]" 1
247 1 24 PHE HA 1 25 TYR H 3.200 . 3.800 2.363 2.228 2.442 . 0 0 "[ . 1 . 2]" 1
248 1 24 PHE HA 1 63 ALA H 2.700 . 3.200 2.135 1.968 2.276 . 0 0 "[ . 1 . 2]" 1
249 1 24 PHE HA 1 63 ALA MB 3.500 . 4.200 2.924 1.949 3.653 . 0 0 "[ . 1 . 2]" 1
250 1 24 PHE HB2 1 24 PHE QD 3.000 . 3.600 2.375 2.346 2.407 . 0 0 "[ . 1 . 2]" 1
251 1 24 PHE HB2 1 24 PHE QE 3.700 . 4.400 4.430 4.421 4.439 0.039 20 0 "[ . 1 . 2]" 1
252 1 24 PHE HB2 1 25 TYR H 4.000 . 4.800 2.557 2.321 2.963 . 0 0 "[ . 1 . 2]" 1
253 1 24 PHE HB3 1 24 PHE QD 2.900 . 3.500 2.448 2.405 2.498 . 0 0 "[ . 1 . 2]" 1
254 1 24 PHE HB3 1 24 PHE QE 3.800 . 4.600 4.451 4.433 4.471 . 0 0 "[ . 1 . 2]" 1
255 1 24 PHE HB3 1 25 TYR H 3.600 . 4.300 3.835 3.660 3.911 . 0 0 "[ . 1 . 2]" 1
256 1 24 PHE HB3 1 63 ALA H 4.200 2.100 5.000 3.809 2.931 4.443 . 0 0 "[ . 1 . 2]" 1
257 1 25 TYR H 1 25 TYR HA 4.600 2.300 5.500 2.923 2.818 2.958 . 0 0 "[ . 1 . 2]" 1
258 1 25 TYR H 1 25 TYR HB2 3.800 . 4.600 3.893 3.586 3.979 . 0 0 "[ . 1 . 2]" 1
259 1 25 TYR H 1 25 TYR HB3 3.900 . 4.700 3.192 2.493 3.327 . 0 0 "[ . 1 . 2]" 1
260 1 25 TYR H 1 25 TYR QD 4.100 . 4.900 2.728 2.016 2.888 . 0 0 "[ . 1 . 2]" 1
261 1 25 TYR HB2 1 25 TYR QD 3.100 . 3.700 2.411 2.387 2.500 . 0 0 "[ . 1 . 2]" 1
262 1 25 TYR HB2 1 25 TYR QE 4.000 . 4.800 4.445 4.435 4.469 . 0 0 "[ . 1 . 2]" 1
263 1 25 TYR HB3 1 25 TYR QD 3.200 . 3.800 2.416 2.341 2.435 . 0 0 "[ . 1 . 2]" 1
264 1 25 TYR HB3 1 25 TYR QE 4.100 2.100 4.900 4.448 4.425 4.455 . 0 0 "[ . 1 . 2]" 1
265 1 25 TYR QD 1 26 PHE HA 3.600 . 4.300 3.615 3.094 4.033 . 0 0 "[ . 1 . 2]" 1
266 1 25 TYR QD 1 63 ALA HA 4.100 . 4.900 3.238 1.967 4.029 0.033 11 0 "[ . 1 . 2]" 1
267 1 25 TYR QD 1 63 ALA MB 3.900 . 4.700 2.659 2.007 3.733 . 0 0 "[ . 1 . 2]" 1
268 1 25 TYR QD 1 64 PRO HD2 4.200 2.100 5.000 4.611 3.738 5.027 0.027 8 0 "[ . 1 . 2]" 1
269 1 25 TYR QD 1 64 PRO HD3 4.300 2.100 5.200 4.549 3.182 5.203 0.003 4 0 "[ . 1 . 2]" 1
270 1 25 TYR QE 1 26 PHE HA 3.800 . 4.600 4.521 3.790 4.658 0.058 1 0 "[ . 1 . 2]" 1
271 1 25 TYR QE 1 27 ASN HA 3.800 . 4.600 3.657 2.080 4.612 0.012 19 0 "[ . 1 . 2]" 1
272 1 25 TYR QE 1 63 ALA HA 3.900 . 4.700 2.591 1.985 3.411 0.015 16 0 "[ . 1 . 2]" 1
273 1 25 TYR QE 1 63 ALA MB 3.700 . 4.400 3.281 1.893 4.423 0.023 1 0 "[ . 1 . 2]" 1
274 1 25 TYR QE 1 64 PRO HD2 4.200 2.100 5.000 3.766 2.623 4.960 . 0 0 "[ . 1 . 2]" 1
275 1 25 TYR QE 1 64 PRO HD3 3.900 . 4.700 3.067 1.972 4.577 . 0 0 "[ . 1 . 2]" 1
276 1 26 PHE H 1 26 PHE HB2 3.000 . 3.600 2.657 2.513 3.188 . 0 0 "[ . 1 . 2]" 1
277 1 26 PHE H 1 26 PHE HB3 3.200 . 3.800 3.650 2.501 3.786 . 0 0 "[ . 1 . 2]" 1
278 1 26 PHE H 1 26 PHE QD 3.900 . 4.700 3.053 2.569 4.325 . 0 0 "[ . 1 . 2]" 1
279 1 26 PHE HA 1 26 PHE QD 3.100 . 3.700 2.743 2.520 2.893 . 0 0 "[ . 1 . 2]" 1
280 1 26 PHE HA 1 27 ASN H 3.000 . 3.600 2.534 2.148 3.533 . 0 0 "[ . 1 . 2]" 1
281 1 26 PHE HB2 1 26 PHE QD 3.100 . 3.700 2.408 2.337 2.534 . 0 0 "[ . 1 . 2]" 1
282 1 26 PHE HB2 1 26 PHE QE 3.900 . 4.700 4.445 4.426 4.473 . 0 0 "[ . 1 . 2]" 1
283 1 26 PHE HB2 1 27 ASN H 3.700 . 4.400 3.817 2.921 4.302 . 0 0 "[ . 1 . 2]" 1
284 1 26 PHE HB3 1 26 PHE QD 3.100 . 3.700 2.424 2.326 2.512 . 0 0 "[ . 1 . 2]" 1
285 1 26 PHE HB3 1 27 ASN H 3.600 . 4.300 3.297 1.872 4.078 . 0 0 "[ . 1 . 2]" 1
286 1 26 PHE QD 1 27 ASN H 3.700 . 4.400 3.731 2.079 4.219 . 0 0 "[ . 1 . 2]" 1
287 1 26 PHE QD 1 44 ILE MG 3.300 . 4.000 3.424 2.720 4.096 0.096 20 0 "[ . 1 . 2]" 1
288 1 26 PHE QD 1 45 VAL MG2 3.500 . 4.200 2.866 1.907 3.629 . 0 0 "[ . 1 . 2]" 1
289 1 26 PHE QE 1 44 ILE MG 3.600 . 4.300 3.210 1.864 4.364 0.064 20 0 "[ . 1 . 2]" 1
290 1 26 PHE QE 1 45 VAL MG2 3.800 . 4.600 2.556 1.891 3.821 0.009 2 0 "[ . 1 . 2]" 1
291 1 27 ASN H 1 27 ASN HA 2.700 . 3.200 2.837 2.296 2.955 . 0 0 "[ . 1 . 2]" 1
292 1 27 ASN H 1 27 ASN HB2 3.100 . 3.700 2.925 2.364 3.736 0.036 15 0 "[ . 1 . 2]" 1
293 1 27 ASN H 1 27 ASN HB3 3.200 . 3.800 3.166 2.476 3.727 . 0 0 "[ . 1 . 2]" 1
294 1 27 ASN HB2 1 27 ASN HD21 4.000 . 4.800 2.784 2.389 3.621 . 0 0 "[ . 1 . 2]" 1
295 1 27 ASN HB2 1 27 ASN HD22 3.900 . 4.700 3.731 3.563 4.119 . 0 0 "[ . 1 . 2]" 1
296 1 27 ASN HB3 1 27 ASN HD21 4.300 2.200 5.200 2.660 2.244 3.559 . 0 0 "[ . 1 . 2]" 1
297 1 27 ASN HB3 1 27 ASN HD22 3.900 . 4.700 3.677 3.508 4.088 . 0 0 "[ . 1 . 2]" 1
298 1 28 LYS H 1 28 LYS HA 2.500 . 3.000 2.736 2.294 2.960 . 0 0 "[ . 1 . 2]" 1
299 1 28 LYS H 1 28 LYS QB 3.500 . 4.200 2.717 2.332 3.330 . 0 0 "[ . 1 . 2]" 1
300 1 28 LYS H 1 28 LYS QE 3.800 . 4.600 4.292 3.389 4.657 0.057 9 0 "[ . 1 . 2]" 1
301 1 28 LYS H 1 28 LYS QG 3.700 . 4.400 2.507 2.013 3.901 . 0 0 "[ . 1 . 2]" 1
302 1 28 LYS HA 1 29 PRO HD2 3.000 . 3.600 2.414 2.069 2.871 . 0 0 "[ . 1 . 2]" 1
303 1 28 LYS HA 1 29 PRO HD3 2.900 . 3.500 2.547 2.047 3.113 . 0 0 "[ . 1 . 2]" 1
304 1 28 LYS QB 1 29 PRO HD2 4.000 . 4.800 3.109 2.054 4.262 . 0 0 "[ . 1 . 2]" 1
305 1 28 LYS QB 1 29 PRO HD3 4.100 2.100 4.900 3.811 3.006 4.463 . 0 0 "[ . 1 . 2]" 1
306 1 28 LYS QE 1 28 LYS QG 3.800 . 4.600 2.233 2.124 2.713 . 0 0 "[ . 1 . 2]" 1
307 1 29 PRO HB2 1 29 PRO HD2 3.300 . 4.000 3.710 2.948 4.037 0.037 7 0 "[ . 1 . 2]" 1
308 1 29 PRO HB3 1 29 PRO HD2 4.500 2.200 5.400 3.899 3.876 3.929 . 0 0 "[ . 1 . 2]" 1
309 1 29 PRO HD2 1 30 THR H 4.000 . 4.800 2.925 2.611 4.422 . 0 0 "[ . 1 . 2]" 1
310 1 29 PRO HD3 1 30 THR H 4.100 . 4.900 4.037 3.830 4.893 . 0 0 "[ . 1 . 2]" 1
311 1 30 THR H 1 30 THR HA 2.900 . 3.500 2.920 2.813 2.959 . 0 0 "[ . 1 . 2]" 1
312 1 30 THR H 1 30 THR HB 3.500 . 4.200 3.373 2.517 3.851 . 0 0 "[ . 1 . 2]" 1
313 1 30 THR H 1 30 THR MG 3.200 . 3.800 2.809 2.050 3.847 0.047 13 0 "[ . 1 . 2]" 1
314 1 30 THR HA 1 31 GLY H 2.800 . 3.400 2.552 2.166 3.463 0.063 6 0 "[ . 1 . 2]" 1
315 1 30 THR MG 1 31 GLY H 3.700 . 4.400 3.537 2.531 4.279 . 0 0 "[ . 1 . 2]" 1
316 1 31 GLY H 1 31 GLY HA3 3.000 . 3.600 2.711 2.400 2.962 . 0 0 "[ . 1 . 2]" 1
317 1 31 GLY H 1 32 TYR H 3.900 . 4.700 2.755 1.841 4.324 0.059 10 0 "[ . 1 . 2]" 1
318 1 31 GLY H 1 32 TYR HA 3.700 . 4.400 4.432 3.996 4.518 0.118 9 0 "[ . 1 . 2]" 1
319 1 31 GLY HA2 1 32 TYR H 3.100 . 3.700 2.867 2.150 3.562 . 0 0 "[ . 1 . 2]" 1
320 1 31 GLY HA3 1 32 TYR H 3.200 . 3.800 3.229 2.231 3.550 . 0 0 "[ . 1 . 2]" 1
321 1 32 TYR H 1 32 TYR HA 2.800 . 3.400 2.855 2.796 2.952 . 0 0 "[ . 1 . 2]" 1
322 1 32 TYR H 1 32 TYR HB2 3.300 . 4.000 2.742 2.308 3.952 . 0 0 "[ . 1 . 2]" 1
323 1 32 TYR H 1 32 TYR HB3 3.100 . 3.700 3.037 2.373 3.751 0.051 20 0 "[ . 1 . 2]" 1
324 1 32 TYR H 1 32 TYR QD 3.600 . 4.300 3.076 2.049 4.282 . 0 0 "[ . 1 . 2]" 1
325 1 32 TYR H 1 33 GLY H 3.800 . 4.600 3.732 2.497 4.608 0.008 18 0 "[ . 1 . 2]" 1
326 1 32 TYR HA 1 32 TYR QD 3.500 . 4.200 2.876 2.466 3.699 . 0 0 "[ . 1 . 2]" 1
327 1 32 TYR HA 1 33 GLY H 2.900 . 3.500 2.718 2.142 3.545 0.045 11 0 "[ . 1 . 2]" 1
328 1 32 TYR HB2 1 32 TYR QD 3.200 . 3.800 2.447 2.377 2.558 . 0 0 "[ . 1 . 2]" 1
329 1 32 TYR HB2 1 32 TYR QE 4.300 2.200 5.200 4.457 4.437 4.482 . 0 0 "[ . 1 . 2]" 1
330 1 32 TYR HB2 1 33 GLY H 3.900 . 4.700 3.730 2.536 4.434 . 0 0 "[ . 1 . 2]" 1
331 1 32 TYR HB3 1 32 TYR QD 3.300 . 4.000 2.389 2.319 2.445 . 0 0 "[ . 1 . 2]" 1
332 1 32 TYR HB3 1 32 TYR QE 4.100 . 4.900 4.440 4.420 4.455 . 0 0 "[ . 1 . 2]" 1
333 1 32 TYR HB3 1 33 GLY H 4.100 . 4.900 3.743 2.420 4.268 . 0 0 "[ . 1 . 2]" 1
334 1 33 GLY H 1 33 GLY HA2 2.900 . 3.500 2.625 2.302 2.957 . 0 0 "[ . 1 . 2]" 1
335 1 33 GLY H 1 33 GLY HA3 3.000 . 3.600 2.621 2.298 2.930 . 0 0 "[ . 1 . 2]" 1
336 1 34 SER H 1 34 SER HA 2.900 . 3.500 2.942 2.836 2.961 . 0 0 "[ . 1 . 2]" 1
337 1 34 SER H 1 34 SER HB2 3.600 . 4.300 3.352 2.443 3.926 . 0 0 "[ . 1 . 2]" 1
338 1 34 SER H 1 34 SER HB3 3.100 . 3.700 3.209 2.748 3.711 0.011 20 0 "[ . 1 . 2]" 1
339 1 34 SER H 1 35 SER HB3 3.300 . 4.000 4.040 3.846 4.135 0.135 15 0 "[ . 1 . 2]" 1
340 1 34 SER HA 1 35 SER H 2.900 . 3.500 3.286 2.576 3.534 0.034 8 0 "[ . 1 . 2]" 1
341 1 35 SER H 1 35 SER HB2 2.900 . 3.500 3.374 2.562 3.556 0.056 4 0 "[ . 1 . 2]" 1
342 1 35 SER H 1 35 SER HB3 3.100 . 3.700 2.581 2.274 3.563 . 0 0 "[ . 1 . 2]" 1
343 1 35 SER H 1 36 SER H 3.400 . 4.100 3.184 2.577 4.194 0.094 19 0 "[ . 1 . 2]" 1
344 1 35 SER HA 1 36 SER H 3.000 . 3.600 2.929 2.138 3.553 . 0 0 "[ . 1 . 2]" 1
345 1 36 SER H 1 36 SER HA 3.000 . 3.600 2.774 2.292 2.943 . 0 0 "[ . 1 . 2]" 1
346 1 36 SER H 1 36 SER HB2 3.300 . 4.000 3.354 2.446 3.973 . 0 0 "[ . 1 . 2]" 1
347 1 36 SER H 1 36 SER HB3 3.300 . 4.000 2.912 2.411 4.018 0.018 6 0 "[ . 1 . 2]" 1
348 1 36 SER HA 1 37 ARG H 2.800 . 3.400 2.928 2.182 3.521 0.121 4 0 "[ . 1 . 2]" 1
349 1 37 ARG H 1 37 ARG HA 2.300 . 2.800 2.331 1.992 2.503 . 0 0 "[ . 1 . 2]" 1
350 1 39 ALA H 1 39 ALA MB 2.700 . 3.200 2.480 2.113 2.842 . 0 0 "[ . 1 . 2]" 1
351 1 39 ALA HA 1 40 PRO HD2 3.100 . 3.700 2.404 2.071 3.022 . 0 0 "[ . 1 . 2]" 1
352 1 39 ALA HA 1 40 PRO HD3 2.900 . 3.500 2.543 2.011 2.992 . 0 0 "[ . 1 . 2]" 1
353 1 39 ALA MB 1 40 PRO HD2 3.300 . 4.000 3.129 2.023 3.918 . 0 0 "[ . 1 . 2]" 1
354 1 39 ALA MB 1 40 PRO HD3 3.500 . 4.200 3.626 2.591 4.121 . 0 0 "[ . 1 . 2]" 1
355 1 39 ALA MB 1 41 GLN H 4.000 . 4.800 3.572 3.178 4.208 . 0 0 "[ . 1 . 2]" 1
356 1 40 PRO HA 1 41 GLN H 2.500 . 3.000 2.566 2.382 3.007 0.007 3 0 "[ . 1 . 2]" 1
357 1 40 PRO HB2 1 41 GLN H 3.600 . 4.300 3.966 3.742 4.071 . 0 0 "[ . 1 . 2]" 1
358 1 40 PRO HB3 1 41 GLN H 4.000 . 4.800 4.620 4.377 4.679 . 0 0 "[ . 1 . 2]" 1
359 1 40 PRO HD2 1 41 GLN H 4.100 . 4.900 4.494 3.394 4.941 0.041 2 0 "[ . 1 . 2]" 1
360 1 41 GLN H 1 41 GLN HB2 3.100 . 3.700 2.819 2.392 3.661 . 0 0 "[ . 1 . 2]" 1
361 1 41 GLN H 1 41 GLN HB3 3.500 . 4.200 3.541 2.728 4.037 . 0 0 "[ . 1 . 2]" 1
362 1 41 GLN H 1 41 GLN QG 3.300 . 4.000 2.734 1.928 4.051 0.051 3 0 "[ . 1 . 2]" 1
363 1 41 GLN H 1 42 THR H 3.200 . 3.800 2.856 2.373 3.891 0.091 15 0 "[ . 1 . 2]" 1
364 1 41 GLN HA 1 42 THR H 2.600 . 3.100 2.870 2.147 3.173 0.073 10 0 "[ . 1 . 2]" 1
365 1 41 GLN HB2 1 42 THR H 4.000 . 4.800 4.112 3.751 4.518 . 0 0 "[ . 1 . 2]" 1
366 1 41 GLN HB3 1 42 THR H 3.800 . 4.600 4.374 3.980 4.591 . 0 0 "[ . 1 . 2]" 1
367 1 41 GLN HE21 1 41 GLN QG 3.700 . 4.400 2.270 2.210 2.367 . 0 0 "[ . 1 . 2]" 1
368 1 41 GLN QG 1 42 THR H 4.000 . 4.800 4.231 3.131 4.763 . 0 0 "[ . 1 . 2]" 1
369 1 42 THR H 1 42 THR HA 3.000 . 3.600 2.857 2.294 2.957 . 0 0 "[ . 1 . 2]" 1
370 1 42 THR H 1 42 THR HB 3.400 . 4.100 3.132 2.382 3.931 . 0 0 "[ . 1 . 2]" 1
371 1 42 THR H 1 42 THR MG 3.200 . 3.800 2.886 2.091 3.820 0.020 13 0 "[ . 1 . 2]" 1
372 1 42 THR HA 1 42 THR HB 4.200 2.100 5.000 2.689 2.442 3.027 . 0 0 "[ . 1 . 2]" 1
373 1 42 THR HA 1 42 THR MG 3.700 . 4.400 2.541 2.146 3.201 . 0 0 "[ . 1 . 2]" 1
374 1 42 THR HA 1 43 GLY H 2.900 . 3.500 2.656 2.168 3.547 0.047 19 0 "[ . 1 . 2]" 1
375 1 42 THR HB 1 43 GLY H 3.400 . 4.100 3.082 2.142 4.139 0.039 20 0 "[ . 1 . 2]" 1
376 1 42 THR MG 1 43 GLY H 3.800 . 4.600 3.323 1.923 3.774 . 0 0 "[ . 1 . 2]" 1
377 1 42 THR MG 1 46 ASP QB 4.000 . 4.800 4.056 2.018 4.835 0.035 9 0 "[ . 1 . 2]" 1
378 1 43 GLY H 1 43 GLY HA2 3.000 . 3.600 2.741 2.361 2.950 . 0 0 "[ . 1 . 2]" 1
379 1 43 GLY H 1 44 ILE H 3.600 . 4.300 3.966 2.420 4.402 0.102 20 0 "[ . 1 . 2]" 1
380 1 43 GLY H 1 46 ASP QB 4.200 2.100 5.000 3.073 2.085 4.504 0.015 9 0 "[ . 1 . 2]" 1
381 1 43 GLY HA2 1 44 ILE H 3.100 . 3.700 2.731 2.141 3.587 . 0 0 "[ . 1 . 2]" 1
382 1 44 ILE H 1 44 ILE HB 3.100 . 3.700 2.993 2.363 3.596 . 0 0 "[ . 1 . 2]" 1
383 1 44 ILE H 1 44 ILE MD 4.000 . 4.800 3.550 3.384 4.292 . 0 0 "[ . 1 . 2]" 1
384 1 44 ILE H 1 44 ILE HG12 3.700 . 4.400 2.894 2.027 4.425 0.025 15 0 "[ . 1 . 2]" 1
385 1 44 ILE H 1 44 ILE HG13 3.700 . 4.400 2.876 2.202 4.436 0.036 15 0 "[ . 1 . 2]" 1
386 1 44 ILE H 1 44 ILE MG 3.000 . 3.600 2.751 1.903 3.714 0.114 12 0 "[ . 1 . 2]" 1
387 1 44 ILE HA 1 44 ILE MD 3.400 . 4.100 3.964 3.797 4.129 0.029 6 0 "[ . 1 . 2]" 1
388 1 44 ILE HA 1 44 ILE HG12 3.300 . 4.000 3.166 2.525 3.763 . 0 0 "[ . 1 . 2]" 1
389 1 44 ILE HA 1 44 ILE HG13 3.700 . 4.400 3.219 2.513 3.698 . 0 0 "[ . 1 . 2]" 1
390 1 44 ILE HA 1 44 ILE MG 3.100 . 3.700 2.428 2.338 3.201 . 0 0 "[ . 1 . 2]" 1
391 1 44 ILE HA 1 45 VAL H 3.200 . 3.800 3.526 3.474 3.562 . 0 0 "[ . 1 . 2]" 1
392 1 44 ILE HA 1 46 ASP H 3.900 . 4.700 4.453 4.328 4.555 . 0 0 "[ . 1 . 2]" 1
393 1 44 ILE HA 1 47 GLU QB 3.400 . 4.100 2.669 2.499 2.903 . 0 0 "[ . 1 . 2]" 1
394 1 44 ILE HA 1 61 TYR QE 4.200 2.100 5.000 4.080 3.388 4.534 . 0 0 "[ . 1 . 2]" 1
395 1 44 ILE HB 1 44 ILE MD 3.900 . 4.700 2.304 2.243 2.375 . 0 0 "[ . 1 . 2]" 1
396 1 44 ILE HB 1 61 TYR QE 4.000 . 4.800 3.869 2.333 4.858 0.058 16 0 "[ . 1 . 2]" 1
397 1 44 ILE MD 1 44 ILE MG 2.900 . 3.500 1.915 1.831 2.009 . 0 0 "[ . 1 . 2]" 1
398 1 44 ILE MD 1 61 TYR HB3 4.200 2.100 5.000 2.884 2.108 5.001 0.001 16 0 "[ . 1 . 2]" 1
399 1 44 ILE MD 1 61 TYR QD 4.300 2.100 5.200 2.754 2.100 4.035 0.000 15 0 "[ . 1 . 2]" 1
400 1 44 ILE MD 1 61 TYR QE 3.900 2.100 4.700 3.455 2.203 4.439 . 0 0 "[ . 1 . 2]" 1
401 1 44 ILE HG12 1 44 ILE MG 3.400 . 4.100 2.320 2.238 2.359 . 0 0 "[ . 1 . 2]" 1
402 1 44 ILE HG13 1 44 ILE MG 3.300 . 4.000 3.190 3.180 3.200 . 0 0 "[ . 1 . 2]" 1
403 1 44 ILE MG 1 45 VAL H 3.200 . 3.800 3.412 1.980 3.849 0.049 20 0 "[ . 1 . 2]" 1
404 1 44 ILE MG 1 61 TYR QD 4.300 2.200 5.200 2.918 2.426 4.512 . 0 0 "[ . 1 . 2]" 1
405 1 44 ILE MG 1 61 TYR QE 4.200 2.100 5.000 2.803 2.029 5.032 0.071 19 0 "[ . 1 . 2]" 1
406 1 45 VAL H 1 45 VAL HB 3.100 . 3.700 2.384 2.355 2.410 . 0 0 "[ . 1 . 2]" 1
407 1 45 VAL H 1 45 VAL MG1 3.300 . 4.000 3.729 3.718 3.734 . 0 0 "[ . 1 . 2]" 1
408 1 45 VAL H 1 45 VAL MG2 2.900 . 3.500 2.300 2.226 2.369 . 0 0 "[ . 1 . 2]" 1
409 1 45 VAL H 1 46 ASP H 3.800 . 4.600 2.702 2.637 2.747 . 0 0 "[ . 1 . 2]" 1
410 1 45 VAL HA 1 45 VAL HB 2.900 . 3.500 3.019 3.014 3.024 . 0 0 "[ . 1 . 2]" 1
411 1 45 VAL HA 1 45 VAL MG1 3.500 . 4.200 2.422 2.404 2.436 . 0 0 "[ . 1 . 2]" 1
412 1 45 VAL HA 1 45 VAL MG2 3.300 . 4.000 2.241 2.181 2.337 . 0 0 "[ . 1 . 2]" 1
413 1 45 VAL HA 1 46 ASP H 3.400 . 4.100 3.261 3.226 3.317 . 0 0 "[ . 1 . 2]" 1
414 1 45 VAL HB 1 46 ASP H 3.500 . 4.200 2.522 2.445 2.595 . 0 0 "[ . 1 . 2]" 1
415 1 45 VAL MG1 1 46 ASP H 3.500 . 4.200 3.121 3.073 3.175 . 0 0 "[ . 1 . 2]" 1
416 1 45 VAL MG1 1 46 ASP QB 3.700 . 4.400 4.334 3.804 4.441 0.041 2 0 "[ . 1 . 2]" 1
417 1 45 VAL MG1 1 48 CYS HB2 3.900 . 4.700 3.691 3.472 4.226 . 0 0 "[ . 1 . 2]" 1
418 1 45 VAL MG1 1 49 CYS HB3 4.100 2.100 4.900 3.449 3.363 3.530 . 0 0 "[ . 1 . 2]" 1
419 1 45 VAL MG1 1 50 PHE QD 3.300 . 4.000 2.187 1.930 4.014 0.014 4 0 "[ . 1 . 2]" 1
420 1 45 VAL MG1 1 50 PHE QE 3.800 . 4.600 4.665 4.635 4.697 0.097 4 0 "[ . 1 . 2]" 1
421 1 45 VAL MG2 1 46 ASP H 3.600 . 4.300 3.906 3.865 3.937 . 0 0 "[ . 1 . 2]" 1
422 1 46 ASP H 1 46 ASP HA 3.000 . 3.600 2.823 2.814 2.831 . 0 0 "[ . 1 . 2]" 1
423 1 46 ASP H 1 46 ASP QB 2.800 . 3.400 2.333 2.246 2.353 . 0 0 "[ . 1 . 2]" 1
424 1 46 ASP HA 1 46 ASP HB3 2.800 . 3.400 2.583 2.525 3.027 . 0 0 "[ . 1 . 2]" 1
425 1 46 ASP HA 1 50 PHE QD 3.600 . 4.300 2.272 2.163 2.388 . 0 0 "[ . 1 . 2]" 1
426 1 46 ASP HA 1 50 PHE QE 4.100 2.100 4.900 3.089 3.047 3.216 . 0 0 "[ . 1 . 2]" 1
427 1 46 ASP QB 1 50 PHE QD 3.500 . 4.200 3.101 2.712 3.927 . 0 0 "[ . 1 . 2]" 1
428 1 46 ASP QB 1 50 PHE QE 4.100 2.100 4.900 3.742 3.461 4.195 . 0 0 "[ . 1 . 2]" 1
429 1 47 GLU H 1 47 GLU QB 3.000 . 3.600 2.258 2.227 2.397 . 0 0 "[ . 1 . 2]" 1
430 1 47 GLU H 1 47 GLU QG 3.400 . 4.100 3.725 2.154 4.030 . 0 0 "[ . 1 . 2]" 1
431 1 47 GLU H 1 48 CYS HB2 3.900 . 4.700 2.626 2.595 2.651 . 0 0 "[ . 1 . 2]" 1
432 1 47 GLU HA 1 47 GLU HG3 3.600 . 4.300 2.881 2.425 3.675 . 0 0 "[ . 1 . 2]" 1
433 1 47 GLU HA 1 48 CYS H 3.300 . 4.000 3.579 3.570 3.597 . 0 0 "[ . 1 . 2]" 1
434 1 47 GLU QB 1 48 CYS H 3.200 . 3.800 2.302 2.265 2.340 . 0 0 "[ . 1 . 2]" 1
435 1 47 GLU QB 1 61 TYR QE 4.200 2.100 5.000 4.515 3.597 5.051 0.051 5 0 "[ . 1 . 2]" 1
436 1 47 GLU QG 1 48 CYS H 4.000 . 4.800 3.420 3.247 4.086 . 0 0 "[ . 1 . 2]" 1
437 1 47 GLU QG 1 51 ARG QD 4.300 2.100 5.200 3.974 2.683 5.109 . 0 0 "[ . 1 . 2]" 1
438 1 47 GLU QG 1 61 TYR QE 4.400 2.200 5.300 4.986 4.381 5.359 0.059 12 0 "[ . 1 . 2]" 1
439 1 48 CYS H 1 48 CYS HB2 3.300 . 4.000 2.427 2.399 2.447 . 0 0 "[ . 1 . 2]" 1
440 1 48 CYS H 1 48 CYS HB3 3.200 . 3.800 3.586 3.576 3.599 . 0 0 "[ . 1 . 2]" 1
441 1 48 CYS H 1 49 CYS H 2.900 . 3.500 2.571 2.544 2.601 . 0 0 "[ . 1 . 2]" 1
442 1 48 CYS H 1 50 PHE H 4.000 . 4.800 4.289 4.255 4.338 . 0 0 "[ . 1 . 2]" 1
443 1 48 CYS HA 1 49 CYS H 3.700 . 4.400 3.540 3.532 3.547 . 0 0 "[ . 1 . 2]" 1
444 1 48 CYS HA 1 53 CYS HB2 3.400 . 4.100 4.138 4.104 4.173 0.073 18 0 "[ . 1 . 2]" 1
445 1 49 CYS H 1 49 CYS HB2 3.700 . 4.400 2.527 2.504 2.549 . 0 0 "[ . 1 . 2]" 1
446 1 49 CYS H 1 49 CYS HB3 3.000 . 3.600 2.542 2.519 2.560 . 0 0 "[ . 1 . 2]" 1
447 1 49 CYS H 1 50 PHE H 3.300 . 4.000 2.773 2.750 2.805 . 0 0 "[ . 1 . 2]" 1
448 1 49 CYS HA 1 50 PHE H 3.700 . 4.400 3.560 3.549 3.569 . 0 0 "[ . 1 . 2]" 1
449 1 49 CYS HB3 1 50 PHE H 3.600 . 4.300 2.443 2.378 2.485 . 0 0 "[ . 1 . 2]" 1
450 1 50 PHE H 1 50 PHE HB2 3.300 . 4.000 2.287 2.266 2.326 . 0 0 "[ . 1 . 2]" 1
451 1 50 PHE H 1 50 PHE HB3 3.600 . 4.300 3.567 3.557 3.589 . 0 0 "[ . 1 . 2]" 1
452 1 50 PHE H 1 50 PHE QD 3.900 . 4.700 2.241 2.141 2.317 . 0 0 "[ . 1 . 2]" 1
453 1 50 PHE HA 1 50 PHE QD 3.300 . 4.000 3.002 2.979 3.036 . 0 0 "[ . 1 . 2]" 1
454 1 50 PHE HB2 1 50 PHE QD 3.200 . 3.800 2.455 2.421 2.490 . 0 0 "[ . 1 . 2]" 1
455 1 50 PHE HB2 1 50 PHE QE 3.800 . 4.600 4.443 4.428 4.457 . 0 0 "[ . 1 . 2]" 1
456 1 50 PHE HB2 1 51 ARG H 4.100 2.100 4.900 2.155 2.117 2.179 . 0 0 "[ . 1 . 2]" 1
457 1 50 PHE HB3 1 50 PHE QD 3.200 . 3.800 2.370 2.351 2.391 . 0 0 "[ . 1 . 2]" 1
458 1 50 PHE HB3 1 50 PHE QE 4.000 . 4.800 4.440 4.434 4.448 . 0 0 "[ . 1 . 2]" 1
459 1 50 PHE HB3 1 51 ARG H 4.100 . 4.900 2.840 2.727 2.908 . 0 0 "[ . 1 . 2]" 1
460 1 51 ARG H 1 51 ARG HB2 4.000 . 4.800 2.398 2.148 2.653 . 0 0 "[ . 1 . 2]" 1
461 1 51 ARG H 1 51 ARG HB3 3.500 . 4.200 3.535 2.510 3.613 . 0 0 "[ . 1 . 2]" 1
462 1 51 ARG H 1 51 ARG QD 5.200 2.600 6.200 3.888 2.592 4.449 0.008 5 0 "[ . 1 . 2]" 1
463 1 51 ARG H 1 51 ARG QG 4.000 . 4.800 2.541 2.247 3.969 . 0 0 "[ . 1 . 2]" 1
464 1 51 ARG HA 1 51 ARG HE 5.600 2.800 6.700 4.654 3.967 5.704 . 0 0 "[ . 1 . 2]" 1
465 1 51 ARG HA 1 52 SER H 3.000 . 3.600 2.396 2.284 2.440 . 0 0 "[ . 1 . 2]" 1
466 1 51 ARG HB2 1 51 ARG QD 4.000 . 4.800 2.497 2.279 2.979 . 0 0 "[ . 1 . 2]" 1
467 1 51 ARG HB2 1 52 SER H 3.300 . 4.000 3.727 3.599 4.002 0.002 12 0 "[ . 1 . 2]" 1
468 1 51 ARG HB3 1 51 ARG QD 3.800 . 4.600 2.639 2.279 3.292 . 0 0 "[ . 1 . 2]" 1
469 1 51 ARG HB3 1 52 SER H 3.300 . 4.000 2.542 2.352 3.848 . 0 0 "[ . 1 . 2]" 1
470 1 51 ARG QG 1 52 SER H 4.000 . 4.800 3.639 2.152 3.897 . 0 0 "[ . 1 . 2]" 1
471 1 52 SER H 1 52 SER QB 3.300 . 4.000 2.317 2.255 2.400 . 0 0 "[ . 1 . 2]" 1
472 1 52 SER HA 1 53 CYS H 3.000 . 3.600 2.250 2.151 2.329 . 0 0 "[ . 1 . 2]" 1
473 1 52 SER QB 1 53 CYS H 4.200 2.100 5.000 3.921 3.761 4.039 . 0 0 "[ . 1 . 2]" 1
474 1 53 CYS H 1 53 CYS HB2 4.100 2.100 4.900 3.624 3.585 3.744 . 0 0 "[ . 1 . 2]" 1
475 1 53 CYS H 1 53 CYS HB3 3.900 . 4.700 2.625 2.498 2.891 . 0 0 "[ . 1 . 2]" 1
476 1 53 CYS HA 1 54 ASP H 2.800 . 3.400 2.228 2.170 2.356 . 0 0 "[ . 1 . 2]" 1
477 1 53 CYS HB2 1 54 ASP H 3.500 . 4.200 2.980 2.596 3.202 . 0 0 "[ . 1 . 2]" 1
478 1 54 ASP H 1 54 ASP HB2 3.200 . 3.800 2.377 2.342 2.518 . 0 0 "[ . 1 . 2]" 1
479 1 54 ASP H 1 54 ASP HB3 3.200 . 3.800 3.497 2.686 3.656 . 0 0 "[ . 1 . 2]" 1
480 1 54 ASP H 1 57 ARG H 4.100 . 4.900 4.381 3.295 4.757 . 0 0 "[ . 1 . 2]" 1
481 1 54 ASP H 1 57 ARG HB3 4.000 . 4.800 3.567 2.879 4.815 0.015 20 0 "[ . 1 . 2]" 1
482 1 54 ASP HA 1 55 LEU H 2.600 . 3.100 2.267 2.183 2.480 . 0 0 "[ . 1 . 2]" 1
483 1 54 ASP HB2 1 55 LEU H 3.500 . 4.200 3.998 3.587 4.181 . 0 0 "[ . 1 . 2]" 1
484 1 54 ASP HB3 1 55 LEU H 3.700 . 4.400 2.901 2.264 3.663 . 0 0 "[ . 1 . 2]" 1
485 1 54 ASP HB3 1 56 ARG H 4.100 2.100 4.900 2.805 2.650 3.362 . 0 0 "[ . 1 . 2]" 1
486 1 54 ASP HB3 1 57 ARG H 4.300 2.100 5.200 3.048 2.414 4.054 . 0 0 "[ . 1 . 2]" 1
487 1 55 LEU H 1 55 LEU HA 3.000 . 3.600 2.826 2.778 2.849 . 0 0 "[ . 1 . 2]" 1
488 1 55 LEU H 1 55 LEU HB2 2.800 . 3.400 2.382 2.186 2.412 . 0 0 "[ . 1 . 2]" 1
489 1 55 LEU H 1 55 LEU HB3 3.200 . 3.800 2.317 2.237 3.242 . 0 0 "[ . 1 . 2]" 1
490 1 55 LEU H 1 55 LEU MD1 3.700 . 4.400 3.472 3.426 3.936 . 0 0 "[ . 1 . 2]" 1
491 1 55 LEU H 1 55 LEU MD2 3.500 . 4.200 3.484 2.004 3.601 . 0 0 "[ . 1 . 2]" 1
492 1 55 LEU H 1 56 ARG H 3.100 . 3.700 2.646 2.547 2.761 . 0 0 "[ . 1 . 2]" 1
493 1 55 LEU H 1 57 ARG H 4.100 . 4.900 4.349 4.274 4.466 . 0 0 "[ . 1 . 2]" 1
494 1 55 LEU HA 1 55 LEU HB2 3.000 . 3.600 3.022 2.969 3.028 . 0 0 "[ . 1 . 2]" 1
495 1 55 LEU HA 1 55 LEU MD1 3.500 . 4.200 3.715 2.025 3.808 . 0 0 "[ . 1 . 2]" 1
496 1 55 LEU HA 1 55 LEU MD2 2.700 . 3.200 2.026 2.005 2.040 . 0 0 "[ . 1 . 2]" 1
497 1 55 LEU HA 1 56 ARG H 3.400 . 4.100 3.534 3.505 3.547 . 0 0 "[ . 1 . 2]" 1
498 1 55 LEU HA 1 58 LEU HB2 3.700 . 4.400 2.723 2.321 3.070 . 0 0 "[ . 1 . 2]" 1
499 1 55 LEU HA 1 58 LEU HB3 3.800 . 4.600 2.817 2.190 4.204 . 0 0 "[ . 1 . 2]" 1
500 1 55 LEU HB2 1 55 LEU MD1 3.000 . 3.600 2.318 2.221 3.184 . 0 0 "[ . 1 . 2]" 1
501 1 55 LEU HB2 1 55 LEU MD2 3.100 . 3.700 3.152 2.423 3.196 . 0 0 "[ . 1 . 2]" 1
502 1 55 LEU MD1 1 55 LEU MD2 2.400 . 2.900 2.071 2.036 2.086 . 0 0 "[ . 1 . 2]" 1
503 1 56 ARG H 1 56 ARG HA 2.700 . 3.200 2.803 2.780 2.818 . 0 0 "[ . 1 . 2]" 1
504 1 56 ARG H 1 56 ARG HB3 2.600 . 3.100 2.533 2.506 2.549 . 0 0 "[ . 1 . 2]" 1
505 1 56 ARG H 1 56 ARG QD 3.900 . 4.700 4.441 4.069 4.676 . 0 0 "[ . 1 . 2]" 1
506 1 56 ARG H 1 57 ARG H 2.800 . 3.400 2.789 2.749 2.831 . 0 0 "[ . 1 . 2]" 1
507 1 56 ARG HA 1 56 ARG HB3 2.900 . 3.500 3.028 3.026 3.031 . 0 0 "[ . 1 . 2]" 1
508 1 56 ARG HA 1 56 ARG QD 4.100 . 4.900 3.578 1.991 4.173 0.009 2 0 "[ . 1 . 2]" 1
509 1 56 ARG HA 1 56 ARG HG2 3.500 . 4.200 3.239 3.074 3.765 . 0 0 "[ . 1 . 2]" 1
510 1 56 ARG HA 1 56 ARG HG3 3.400 . 4.100 2.571 2.404 3.075 . 0 0 "[ . 1 . 2]" 1
511 1 56 ARG HA 1 57 ARG H 3.200 . 3.800 3.577 3.548 3.602 . 0 0 "[ . 1 . 2]" 1
512 1 56 ARG HB3 1 61 TYR QD 3.900 . 4.700 3.877 3.481 4.722 0.022 13 0 "[ . 1 . 2]" 1
513 1 56 ARG HB3 1 61 TYR QE 4.000 . 4.800 3.973 2.314 4.845 0.045 20 0 "[ . 1 . 2]" 1
514 1 57 ARG H 1 57 ARG HB2 3.100 . 3.700 2.584 2.072 3.612 . 0 0 "[ . 1 . 2]" 1
515 1 57 ARG H 1 57 ARG HB3 2.700 . 3.200 2.642 2.425 3.348 0.148 4 0 "[ . 1 . 2]" 1
516 1 57 ARG H 1 57 ARG QD 3.700 . 4.400 4.268 2.654 4.544 0.144 12 0 "[ . 1 . 2]" 1
517 1 57 ARG H 1 57 ARG QG 3.200 . 3.800 3.592 1.928 3.922 0.122 7 0 "[ . 1 . 2]" 1
518 1 57 ARG HA 1 57 ARG HE 4.200 2.100 5.000 4.654 3.806 5.091 0.091 14 0 "[ . 1 . 2]" 1
519 1 57 ARG HA 1 60 MET H 4.100 2.100 4.900 3.577 3.419 3.814 . 0 0 "[ . 1 . 2]" 1
520 1 57 ARG HB3 1 57 ARG HE 3.300 . 4.000 3.109 2.330 4.160 0.160 7 0 "[ . 1 . 2]" 1
521 1 57 ARG HE 1 57 ARG QG 3.400 . 4.100 2.587 2.171 3.158 . 0 0 "[ . 1 . 2]" 1
522 1 57 ARG QG 1 61 TYR QE 4.200 2.100 5.000 3.648 2.985 4.853 . 0 0 "[ . 1 . 2]" 1
523 1 58 LEU H 1 58 LEU HB2 3.100 . 3.700 2.347 2.180 2.540 . 0 0 "[ . 1 . 2]" 1
524 1 58 LEU H 1 58 LEU HB3 2.900 . 3.500 2.783 2.539 3.539 0.039 4 0 "[ . 1 . 2]" 1
525 1 58 LEU H 1 58 LEU MD1 3.600 . 4.300 3.714 2.165 4.004 . 0 0 "[ . 1 . 2]" 1
526 1 58 LEU H 1 58 LEU MD2 3.600 . 4.300 4.298 4.125 4.326 0.026 13 0 "[ . 1 . 2]" 1
527 1 58 LEU H 1 59 ASP H 3.100 . 3.700 2.675 2.600 2.724 . 0 0 "[ . 1 . 2]" 1
528 1 58 LEU HA 1 58 LEU MD1 3.000 . 3.600 2.100 1.984 3.235 . 0 0 "[ . 1 . 2]" 1
529 1 58 LEU HA 1 58 LEU MD2 3.800 . 4.600 3.764 3.315 3.817 . 0 0 "[ . 1 . 2]" 1
530 1 58 LEU HA 1 60 MET H 4.000 . 4.800 3.800 3.452 4.267 . 0 0 "[ . 1 . 2]" 1
531 1 58 LEU HA 1 61 TYR H 3.600 . 4.300 3.622 3.439 3.796 . 0 0 "[ . 1 . 2]" 1
532 1 58 LEU HA 1 61 TYR QD 2.900 . 3.500 2.750 2.002 3.452 . 0 0 "[ . 1 . 2]" 1
533 1 58 LEU HA 1 61 TYR QE 3.500 . 4.200 2.712 2.134 3.613 . 0 0 "[ . 1 . 2]" 1
534 1 58 LEU HB2 1 58 LEU MD2 3.400 . 4.100 2.489 2.374 2.789 . 0 0 "[ . 1 . 2]" 1
535 1 58 LEU HB3 1 58 LEU MD1 3.700 . 4.400 3.172 3.059 3.189 . 0 0 "[ . 1 . 2]" 1
536 1 58 LEU HB3 1 58 LEU MD2 3.300 . 4.000 2.282 2.054 2.350 . 0 0 "[ . 1 . 2]" 1
537 1 58 LEU HB3 1 59 ASP H 3.600 . 4.300 2.800 2.638 3.384 . 0 0 "[ . 1 . 2]" 1
538 1 58 LEU MD1 1 61 TYR QE 3.500 . 4.200 2.137 1.817 3.688 . 0 0 "[ . 1 . 2]" 1
539 1 58 LEU MD2 1 61 TYR QD 3.400 . 4.100 4.034 3.676 4.191 0.091 20 0 "[ . 1 . 2]" 1
540 1 58 LEU MD2 1 61 TYR QE 3.900 . 4.700 4.715 4.234 4.802 0.102 16 0 "[ . 1 . 2]" 1
541 1 58 LEU HG 1 59 ASP H 3.800 . 4.600 4.237 3.898 4.778 0.178 4 0 "[ . 1 . 2]" 1
542 1 59 ASP H 1 59 ASP HA 2.900 . 3.500 2.804 2.775 2.826 . 0 0 "[ . 1 . 2]" 1
543 1 59 ASP H 1 59 ASP HB2 3.200 . 3.800 2.511 2.353 3.594 . 0 0 "[ . 1 . 2]" 1
544 1 59 ASP H 1 59 ASP HB3 3.200 . 3.800 2.803 2.503 3.590 . 0 0 "[ . 1 . 2]" 1
545 1 59 ASP H 1 60 MET H 3.100 . 3.700 2.689 2.628 2.742 . 0 0 "[ . 1 . 2]" 1
546 1 59 ASP HA 1 60 MET H 3.300 . 4.000 3.470 3.394 3.537 . 0 0 "[ . 1 . 2]" 1
547 1 59 ASP HB2 1 60 MET H 3.900 . 4.700 3.853 2.728 4.211 . 0 0 "[ . 1 . 2]" 1
548 1 59 ASP HB3 1 60 MET H 3.900 . 4.700 3.213 2.679 4.250 . 0 0 "[ . 1 . 2]" 1
549 1 60 MET H 1 60 MET HA 3.000 . 3.600 2.820 2.804 2.847 . 0 0 "[ . 1 . 2]" 1
550 1 60 MET H 1 60 MET HB2 3.200 . 3.800 2.402 2.350 2.448 . 0 0 "[ . 1 . 2]" 1
551 1 60 MET H 1 60 MET HB3 3.200 . 3.800 3.575 3.553 3.596 . 0 0 "[ . 1 . 2]" 1
552 1 60 MET H 1 60 MET HG2 3.400 . 4.100 3.169 2.221 3.603 . 0 0 "[ . 1 . 2]" 1
553 1 60 MET H 1 60 MET HG3 3.400 . 4.100 2.610 2.185 3.569 . 0 0 "[ . 1 . 2]" 1
554 1 60 MET H 1 61 TYR H 3.000 . 3.600 2.642 2.591 2.691 . 0 0 "[ . 1 . 2]" 1
555 1 60 MET H 1 61 TYR QD 4.100 2.100 4.900 4.516 3.745 4.711 . 0 0 "[ . 1 . 2]" 1
556 1 60 MET HA 1 61 TYR H 3.400 . 4.100 3.480 3.355 3.534 . 0 0 "[ . 1 . 2]" 1
557 1 60 MET HB2 1 61 TYR H 3.900 . 4.700 2.944 2.702 3.380 . 0 0 "[ . 1 . 2]" 1
558 1 60 MET HB2 1 61 TYR QD 4.000 . 4.800 3.604 3.009 4.479 . 0 0 "[ . 1 . 2]" 1
559 1 60 MET HB2 1 61 TYR QE 4.100 . 4.900 3.711 3.287 4.720 . 0 0 "[ . 1 . 2]" 1
560 1 60 MET HB3 1 61 TYR H 4.100 2.100 4.900 3.813 3.584 4.106 . 0 0 "[ . 1 . 2]" 1
561 1 60 MET ME 1 61 TYR QE 3.700 . 4.400 4.205 3.305 4.459 0.059 9 0 "[ . 1 . 2]" 1
562 1 60 MET HG2 1 61 TYR H 4.300 2.200 5.200 4.917 4.395 5.199 . 0 0 "[ . 1 . 2]" 1
563 1 61 TYR H 1 61 TYR HB2 3.100 . 3.700 2.595 2.250 2.771 . 0 0 "[ . 1 . 2]" 1
564 1 61 TYR H 1 61 TYR HB3 3.500 . 4.200 3.590 3.530 3.613 . 0 0 "[ . 1 . 2]" 1
565 1 61 TYR H 1 61 TYR QD 3.100 . 3.700 2.893 2.358 3.150 . 0 0 "[ . 1 . 2]" 1
566 1 61 TYR H 1 62 CYS H 3.100 . 3.700 2.597 2.442 3.029 . 0 0 "[ . 1 . 2]" 1
567 1 61 TYR HA 1 61 TYR QD 3.000 . 3.600 2.145 1.889 2.378 . 0 0 "[ . 1 . 2]" 1
568 1 61 TYR HA 1 61 TYR QE 3.800 . 4.600 4.412 4.178 4.582 . 0 0 "[ . 1 . 2]" 1
569 1 61 TYR HA 1 62 CYS H 3.600 . 4.300 3.325 2.997 3.491 . 0 0 "[ . 1 . 2]" 1
570 1 61 TYR HB2 1 61 TYR QD 3.000 . 3.600 2.419 2.245 2.787 . 0 0 "[ . 1 . 2]" 1
571 1 61 TYR HB2 1 61 TYR QE 4.000 . 4.800 4.449 4.362 4.537 . 0 0 "[ . 1 . 2]" 1
572 1 61 TYR HB3 1 61 TYR QD 3.100 . 3.700 2.696 2.440 2.782 . 0 0 "[ . 1 . 2]" 1
573 1 61 TYR HB3 1 61 TYR QE 4.300 2.200 5.200 4.521 4.455 4.542 . 0 0 "[ . 1 . 2]" 1
574 1 62 CYS H 1 62 CYS HB2 3.500 . 4.200 2.439 2.338 2.521 . 0 0 "[ . 1 . 2]" 1
575 1 62 CYS H 1 62 CYS HB3 3.800 . 4.600 3.587 3.561 3.663 . 0 0 "[ . 1 . 2]" 1
576 1 62 CYS HB2 1 63 ALA H 3.500 . 4.200 3.823 3.448 4.019 . 0 0 "[ . 1 . 2]" 1
577 1 62 CYS HB3 1 63 ALA H 3.300 . 4.000 2.690 2.336 2.913 . 0 0 "[ . 1 . 2]" 1
578 1 63 ALA H 1 63 ALA MB 2.600 . 3.100 2.162 2.090 2.452 . 0 0 "[ . 1 . 2]" 1
579 1 63 ALA H 1 64 PRO HD2 4.000 . 4.800 4.852 4.778 4.925 0.125 1 0 "[ . 1 . 2]" 1
580 1 63 ALA H 1 64 PRO HD3 4.000 . 4.800 4.729 3.620 4.914 0.114 12 0 "[ . 1 . 2]" 1
581 1 63 ALA HA 1 63 ALA MB 3.800 . 4.600 2.123 2.106 2.135 . 0 0 "[ . 1 . 2]" 1
582 1 63 ALA HA 1 64 PRO HD2 3.000 . 3.600 2.624 2.383 2.886 . 0 0 "[ . 1 . 2]" 1
583 1 63 ALA HA 1 64 PRO HD3 2.900 . 3.500 2.148 2.059 2.255 . 0 0 "[ . 1 . 2]" 1
584 1 63 ALA MB 1 64 PRO HD2 3.100 . 3.700 2.243 2.025 3.773 0.073 3 0 "[ . 1 . 2]" 1
585 1 63 ALA MB 1 64 PRO HD3 3.200 . 3.800 3.081 2.688 3.834 0.034 19 0 "[ . 1 . 2]" 1
586 1 64 PRO HA 1 65 LEU H 2.500 . 3.000 2.279 2.207 2.352 . 0 0 "[ . 1 . 2]" 1
587 1 64 PRO HB2 1 64 PRO HD2 4.200 2.100 5.000 3.569 2.968 4.015 . 0 0 "[ . 1 . 2]" 1
588 1 64 PRO HB2 1 64 PRO HD3 4.000 . 4.800 3.948 3.881 4.001 . 0 0 "[ . 1 . 2]" 1
589 1 64 PRO HB3 1 65 LEU H 3.500 . 4.200 3.499 3.149 3.693 . 0 0 "[ . 1 . 2]" 1
590 1 64 PRO HD2 1 64 PRO QG 2.500 . 3.000 2.227 2.194 2.273 . 0 0 "[ . 1 . 2]" 1
591 1 64 PRO QG 1 65 LEU H 4.000 . 4.800 4.484 4.314 4.675 . 0 0 "[ . 1 . 2]" 1
592 1 65 LEU H 1 65 LEU QB 2.700 . 3.200 2.574 2.212 3.180 . 0 0 "[ . 1 . 2]" 1
593 1 65 LEU H 1 65 LEU MD1 4.200 2.100 5.000 3.504 2.090 3.911 0.010 13 0 "[ . 1 . 2]" 1
594 1 65 LEU H 1 65 LEU MD2 4.100 2.100 4.900 3.262 2.254 3.924 . 0 0 "[ . 1 . 2]" 1
595 1 65 LEU H 1 65 LEU HG 3.200 . 3.800 2.262 1.944 3.718 . 0 0 "[ . 1 . 2]" 1
596 1 65 LEU HA 1 65 LEU MD1 3.500 . 4.200 3.772 2.651 4.026 . 0 0 "[ . 1 . 2]" 1
597 1 65 LEU HA 1 65 LEU MD2 4.000 . 4.800 2.542 2.016 4.018 . 0 0 "[ . 1 . 2]" 1
598 1 65 LEU HA 1 66 LYS H 2.500 . 3.000 2.378 2.204 3.007 0.007 20 0 "[ . 1 . 2]" 1
599 1 65 LEU QB 1 66 LYS H 3.400 . 4.100 3.070 2.522 4.027 . 0 0 "[ . 1 . 2]" 1
600 1 65 LEU HB2 1 65 LEU MD1 3.100 . 3.700 2.286 2.078 2.402 . 0 0 "[ . 1 . 2]" 1
601 1 65 LEU HB2 1 65 LEU MD2 2.900 . 3.500 3.092 2.426 3.205 . 0 0 "[ . 1 . 2]" 1
602 1 65 LEU MD1 1 65 LEU MD2 1.700 . 2.000 2.044 2.037 2.064 0.064 17 0 "[ . 1 . 2]" 1
603 1 65 LEU MD1 1 66 LYS H 4.000 . 4.800 4.652 3.181 4.813 0.013 4 0 "[ . 1 . 2]" 1
604 1 65 LEU MD2 1 66 LYS H 3.900 . 4.700 3.738 3.238 4.734 0.034 16 0 "[ . 1 . 2]" 1
605 1 66 LYS H 1 66 LYS QB 3.600 . 4.300 2.567 2.340 3.298 . 0 0 "[ . 1 . 2]" 1
606 1 66 LYS H 1 66 LYS QD 3.200 . 3.800 3.750 2.975 3.922 0.122 20 0 "[ . 1 . 2]" 1
607 1 66 LYS H 1 66 LYS HG2 4.300 2.100 5.200 3.251 2.055 5.191 0.045 20 0 "[ . 1 . 2]" 1
608 1 66 LYS H 1 66 LYS HG3 4.200 2.100 5.000 2.902 2.271 4.699 . 0 0 "[ . 1 . 2]" 1
609 1 66 LYS HA 1 67 PRO HD2 3.100 . 3.700 2.598 2.163 2.980 . 0 0 "[ . 1 . 2]" 1
610 1 66 LYS HA 1 67 PRO HD3 3.000 . 3.600 2.332 1.979 3.059 . 0 0 "[ . 1 . 2]" 1
611 1 66 LYS QB 1 67 PRO HD2 4.100 . 4.900 2.724 2.048 4.376 . 0 0 "[ . 1 . 2]" 1
612 1 67 PRO HA 1 68 ALA H 2.500 . 3.000 2.264 2.214 2.375 . 0 0 "[ . 1 . 2]" 1
613 1 67 PRO HB2 1 67 PRO HD3 4.000 . 4.800 3.917 3.872 3.986 . 0 0 "[ . 1 . 2]" 1
614 1 67 PRO HB2 1 68 ALA H 3.900 . 4.700 3.255 2.727 3.619 . 0 0 "[ . 1 . 2]" 1
615 1 67 PRO HB3 1 67 PRO HD2 3.900 . 4.700 3.900 3.885 3.921 . 0 0 "[ . 1 . 2]" 1
616 1 67 PRO HB3 1 67 PRO HD3 3.900 . 4.700 3.547 3.007 4.061 . 0 0 "[ . 1 . 2]" 1
617 1 67 PRO HB3 1 68 ALA H 4.400 2.200 5.300 3.506 3.317 3.745 . 0 0 "[ . 1 . 2]" 1
618 1 68 ALA H 1 68 ALA MB 3.000 . 3.600 2.311 2.151 2.902 . 0 0 "[ . 1 . 2]" 1
619 1 68 ALA HA 1 69 LYS H 2.900 . 3.500 2.998 2.210 3.533 0.033 19 0 "[ . 1 . 2]" 1
620 1 69 LYS H 1 69 LYS HB2 3.400 . 4.100 2.830 2.382 3.956 . 0 0 "[ . 1 . 2]" 1
621 1 69 LYS H 1 69 LYS HB3 3.900 . 4.700 3.245 2.508 4.043 . 0 0 "[ . 1 . 2]" 1
622 1 69 LYS HA 1 69 LYS QE 5.000 2.500 6.000 4.470 3.848 5.629 . 0 0 "[ . 1 . 2]" 1
623 1 69 LYS HA 1 70 SER H 3.600 . 4.300 3.024 2.153 3.564 . 0 0 "[ . 1 . 2]" 1
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