NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556801 |
2lqa   |
18300 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqa
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 538
_Distance_constraint_stats_list.Viol_count 715
_Distance_constraint_stats_list.Viol_total 264.111
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0185
_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 PCA 0.002 0.001 14 0 "[ . 1 . 2]"
1 2 GLY 0.020 0.005 19 0 "[ . 1 . 2]"
1 3 CYS 0.007 0.005 16 0 "[ . 1 . 2]"
1 4 ALA 1.929 0.079 15 0 "[ . 1 . 2]"
1 5 PHE 0.586 0.081 19 0 "[ . 1 . 2]"
1 6 GLU 1.247 0.079 15 0 "[ . 1 . 2]"
1 7 GLY 0.450 0.021 8 0 "[ . 1 . 2]"
1 8 GLU 0.610 0.021 16 0 "[ . 1 . 2]"
1 9 SER 0.420 0.021 16 0 "[ . 1 . 2]"
1 10 CYS 0.690 0.047 15 0 "[ . 1 . 2]"
1 11 ASN 1.109 0.031 16 0 "[ . 1 . 2]"
1 12 VAL 0.869 0.036 14 0 "[ . 1 . 2]"
1 13 GLN 1.659 0.046 19 0 "[ . 1 . 2]"
1 14 PHE 1.990 0.046 19 0 "[ . 1 . 2]"
1 15 TYR 1.570 0.040 11 0 "[ . 1 . 2]"
1 16 PRO 0.713 0.026 7 0 "[ . 1 . 2]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.077 0.006 18 0 "[ . 1 . 2]"
1 19 PRO 0.327 0.021 20 0 "[ . 1 . 2]"
1 20 GLY 0.327 0.021 20 0 "[ . 1 . 2]"
1 21 LEU 0.108 0.007 18 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.454 0.021 8 0 "[ . 1 . 2]"
1 24 THR 0.420 0.023 7 0 "[ . 1 . 2]"
1 25 CYS 1.052 0.070 8 0 "[ . 1 . 2]"
1 26 ILE 0.906 0.030 18 0 "[ . 1 . 2]"
1 27 PRO 1.172 0.039 11 0 "[ . 1 . 2]"
1 28 GLY 0.799 0.036 14 0 "[ . 1 . 2]"
1 29 ASN 1.616 0.058 14 0 "[ . 1 . 2]"
1 30 PRO 1.396 0.058 14 0 "[ . 1 . 2]"
1 31 ASP 0.658 0.042 17 0 "[ . 1 . 2]"
1 32 GLY 0.127 0.042 17 0 "[ . 1 . 2]"
1 33 THR 0.095 0.017 1 0 "[ . 1 . 2]"
1 34 CYS 0.158 0.020 4 0 "[ . 1 . 2]"
1 35 TYR 0.504 0.030 18 0 "[ . 1 . 2]"
1 36 TYR 0.098 0.011 15 0 "[ . 1 . 2]"
1 37 LEU 0.420 0.023 7 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 PCA HB2 1 3 CYS H 5.500 . 5.500 5.197 4.560 5.501 0.001 14 0 "[ . 1 . 2]" 1
2 1 1 PCA HB3 1 3 CYS H 5.500 . 5.500 3.928 3.143 4.682 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY H 1 3 CYS H 3.830 . 3.830 2.697 1.915 3.570 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLY H 1 15 TYR QE 5.500 . 5.500 4.910 2.385 5.505 0.005 19 0 "[ . 1 . 2]" 1
5 1 2 GLY QA 1 3 CYS H 2.910 . 2.910 2.558 2.302 2.851 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLY QA 1 15 TYR QD 4.780 . 4.780 3.900 3.639 4.227 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLY QA 1 15 TYR QE 3.720 . 3.720 3.143 2.910 3.573 . 0 0 "[ . 1 . 2]" 1
8 1 3 CYS H 1 4 ALA H 5.150 . 5.150 4.549 4.442 4.583 . 0 0 "[ . 1 . 2]" 1
9 1 3 CYS H 1 15 TYR QE 4.850 . 4.850 4.688 4.309 4.855 0.005 16 0 "[ . 1 . 2]" 1
10 1 3 CYS HA 1 4 ALA MB 4.340 . 4.340 3.919 3.897 3.941 . 0 0 "[ . 1 . 2]" 1
11 1 3 CYS HA 1 15 TYR QD 5.010 . 5.010 4.263 4.042 4.438 . 0 0 "[ . 1 . 2]" 1
12 1 3 CYS HA 1 15 TYR QE 4.930 . 4.930 4.152 3.876 4.344 . 0 0 "[ . 1 . 2]" 1
13 1 3 CYS HA 1 16 PRO HD2 4.370 . 4.370 3.277 3.221 3.397 . 0 0 "[ . 1 . 2]" 1
14 1 3 CYS HA 1 16 PRO QG 4.650 . 4.650 3.371 3.261 3.556 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS HA 1 18 CYS H 5.500 . 5.500 4.826 4.796 4.859 . 0 0 "[ . 1 . 2]" 1
16 1 3 CYS HA 1 18 CYS HA 5.500 . 5.500 4.738 4.705 4.760 . 0 0 "[ . 1 . 2]" 1
17 1 3 CYS QB 1 4 ALA H 3.290 . 3.290 2.605 2.564 2.641 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS QB 1 16 PRO QG 3.840 . 3.840 3.194 3.150 3.287 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS QB 1 18 CYS H 4.010 . 4.010 2.857 2.845 2.871 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS QB 1 18 CYS HA 3.040 . 3.040 2.257 2.230 2.277 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS QB 1 18 CYS HB3 4.900 . 4.900 3.908 3.886 3.924 . 0 0 "[ . 1 . 2]" 1
22 1 3 CYS QB 1 19 PRO HD2 4.320 . 4.320 3.690 3.654 3.723 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS QB 1 19 PRO HD3 4.470 . 4.470 3.298 3.256 3.331 . 0 0 "[ . 1 . 2]" 1
24 1 3 CYS HB2 1 16 PRO QG 4.410 . 4.410 4.087 4.052 4.180 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS HB2 1 18 CYS HA 3.870 . 3.870 2.324 2.295 2.345 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS HB3 1 16 PRO QG 4.410 . 4.410 3.334 3.284 3.439 . 0 0 "[ . 1 . 2]" 1
27 1 3 CYS HB3 1 18 CYS HA 3.870 . 3.870 3.059 3.028 3.084 . 0 0 "[ . 1 . 2]" 1
28 1 4 ALA H 1 4 ALA MB 3.130 . 3.130 2.261 2.218 2.282 . 0 0 "[ . 1 . 2]" 1
29 1 4 ALA H 1 5 PHE H 5.500 . 5.500 4.581 4.564 4.589 . 0 0 "[ . 1 . 2]" 1
30 1 4 ALA H 1 10 CYS HB2 4.340 . 4.340 4.374 4.360 4.387 0.047 15 0 "[ . 1 . 2]" 1
31 1 4 ALA H 1 15 TYR QD 5.020 . 5.020 3.842 3.626 4.047 . 0 0 "[ . 1 . 2]" 1
32 1 4 ALA H 1 15 TYR QE 5.500 . 5.500 3.511 3.275 3.703 . 0 0 "[ . 1 . 2]" 1
33 1 4 ALA H 1 17 CYS H 5.040 . 5.040 4.316 4.255 4.374 . 0 0 "[ . 1 . 2]" 1
34 1 4 ALA H 1 18 CYS H 4.240 . 4.240 3.370 3.290 3.423 . 0 0 "[ . 1 . 2]" 1
35 1 4 ALA HA 1 5 PHE H 2.780 . 2.780 2.253 2.202 2.284 . 0 0 "[ . 1 . 2]" 1
36 1 4 ALA HA 1 15 TYR QD 5.480 . 5.480 4.265 4.221 4.332 . 0 0 "[ . 1 . 2]" 1
37 1 4 ALA HA 1 15 TYR QE 3.980 . 3.980 2.322 2.305 2.365 . 0 0 "[ . 1 . 2]" 1
38 1 4 ALA MB 1 5 PHE H 3.510 . 3.510 2.734 2.674 2.778 . 0 0 "[ . 1 . 2]" 1
39 1 4 ALA MB 1 6 GLU H 5.500 . 5.500 5.562 5.545 5.579 0.079 15 0 "[ . 1 . 2]" 1
40 1 4 ALA MB 1 8 GLU H 4.770 . 4.770 4.511 4.403 4.610 . 0 0 "[ . 1 . 2]" 1
41 1 4 ALA MB 1 8 GLU QB 4.080 . 4.080 3.764 3.690 3.867 . 0 0 "[ . 1 . 2]" 1
42 1 4 ALA MB 1 8 GLU HG2 4.290 . 4.290 3.202 3.078 3.383 . 0 0 "[ . 1 . 2]" 1
43 1 4 ALA MB 1 8 GLU HG3 3.710 . 3.710 2.224 2.189 2.253 . 0 0 "[ . 1 . 2]" 1
44 1 4 ALA MB 1 9 SER H 5.170 . 5.170 4.489 4.374 4.577 . 0 0 "[ . 1 . 2]" 1
45 1 4 ALA MB 1 10 CYS HA 4.010 . 4.010 3.003 2.957 3.077 . 0 0 "[ . 1 . 2]" 1
46 1 4 ALA MB 1 10 CYS HB2 4.040 . 4.040 3.252 3.171 3.322 . 0 0 "[ . 1 . 2]" 1
47 1 4 ALA MB 1 10 CYS HB3 3.480 . 3.480 2.098 2.051 2.140 . 0 0 "[ . 1 . 2]" 1
48 1 4 ALA MB 1 11 ASN H 5.400 . 5.400 4.434 4.374 4.503 . 0 0 "[ . 1 . 2]" 1
49 1 4 ALA MB 1 15 TYR QD 3.530 . 3.530 2.358 2.298 2.417 . 0 0 "[ . 1 . 2]" 1
50 1 4 ALA MB 1 15 TYR QE 3.520 . 3.520 2.135 2.073 2.199 . 0 0 "[ . 1 . 2]" 1
51 1 4 ALA MB 1 17 CYS HA 5.500 . 5.500 2.778 2.669 2.840 . 0 0 "[ . 1 . 2]" 1
52 1 4 ALA MB 1 18 CYS H 4.980 . 4.980 3.924 3.828 3.988 . 0 0 "[ . 1 . 2]" 1
53 1 4 ALA MB 1 34 CYS H 5.500 . 5.500 4.501 4.448 4.592 . 0 0 "[ . 1 . 2]" 1
54 1 5 PHE H 1 5 PHE HB2 3.660 . 3.660 3.394 2.767 3.664 0.004 14 0 "[ . 1 . 2]" 1
55 1 5 PHE H 1 5 PHE HB3 3.660 . 3.660 3.238 3.062 3.629 . 0 0 "[ . 1 . 2]" 1
56 1 5 PHE H 1 5 PHE HZ 5.160 . 5.160 5.188 5.162 5.241 0.081 19 0 "[ . 1 . 2]" 1
57 1 5 PHE H 1 6 GLU H 5.420 . 5.420 4.529 4.516 4.545 . 0 0 "[ . 1 . 2]" 1
58 1 5 PHE H 1 8 GLU HG3 3.980 . 3.980 3.398 3.245 3.546 . 0 0 "[ . 1 . 2]" 1
59 1 5 PHE HA 1 23 LEU MD1 3.530 . 3.530 2.868 2.636 3.120 . 0 0 "[ . 1 . 2]" 1
60 1 5 PHE HA 1 23 LEU MD2 5.210 . 5.210 4.451 4.287 4.637 . 0 0 "[ . 1 . 2]" 1
61 1 5 PHE QB 1 6 GLU H 2.710 . 2.710 2.200 2.137 2.279 . 0 0 "[ . 1 . 2]" 1
62 1 5 PHE HB2 1 6 GLU H 3.530 . 3.530 2.432 2.156 3.006 . 0 0 "[ . 1 . 2]" 1
63 1 5 PHE HB3 1 6 GLU H 3.530 . 3.530 3.173 2.348 3.532 0.002 10 0 "[ . 1 . 2]" 1
64 1 6 GLU H 1 6 GLU HB2 3.430 . 3.430 2.274 2.202 2.388 . 0 0 "[ . 1 . 2]" 1
65 1 6 GLU H 1 6 GLU QB 2.910 . 2.910 2.172 2.132 2.232 . 0 0 "[ . 1 . 2]" 1
66 1 6 GLU H 1 6 GLU HB3 3.430 . 3.430 2.776 2.683 2.848 . 0 0 "[ . 1 . 2]" 1
67 1 6 GLU H 1 6 GLU HG2 5.210 . 5.210 4.535 4.526 4.540 . 0 0 "[ . 1 . 2]" 1
68 1 6 GLU H 1 6 GLU QG 4.560 . 4.560 3.902 3.854 3.966 . 0 0 "[ . 1 . 2]" 1
69 1 6 GLU H 1 6 GLU HG3 5.210 . 5.210 4.258 4.172 4.378 . 0 0 "[ . 1 . 2]" 1
70 1 6 GLU H 1 23 LEU MD1 3.630 . 3.630 2.919 2.693 3.258 . 0 0 "[ . 1 . 2]" 1
71 1 6 GLU H 1 23 LEU MD2 4.550 . 4.550 3.366 3.160 3.616 . 0 0 "[ . 1 . 2]" 1
72 1 6 GLU HA 1 6 GLU HG2 3.630 . 3.630 2.851 2.791 2.922 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLU HA 1 6 GLU HG3 3.630 . 3.630 2.514 2.496 2.536 . 0 0 "[ . 1 . 2]" 1
74 1 6 GLU HA 1 7 GLY H 2.820 . 2.820 2.157 2.145 2.176 . 0 0 "[ . 1 . 2]" 1
75 1 6 GLU HA 1 8 GLU H 4.150 . 4.150 3.551 3.447 3.664 . 0 0 "[ . 1 . 2]" 1
76 1 6 GLU HA 1 23 LEU MD1 3.980 . 3.980 3.664 3.651 3.678 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLU HA 1 23 LEU MD2 3.490 . 3.490 2.753 2.712 2.799 . 0 0 "[ . 1 . 2]" 1
78 1 6 GLU HA 1 34 CYS HB3 3.650 . 3.650 2.342 2.267 2.401 . 0 0 "[ . 1 . 2]" 1
79 1 6 GLU QB 1 7 GLY H 4.030 . 4.030 3.669 3.633 3.697 . 0 0 "[ . 1 . 2]" 1
80 1 6 GLU QB 1 23 LEU MD1 4.370 . 4.370 2.869 2.827 2.906 . 0 0 "[ . 1 . 2]" 1
81 1 6 GLU QB 1 23 LEU MD2 3.330 . 3.330 2.041 2.029 2.050 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLU QB 1 36 TYR QD 5.340 . 5.340 4.255 4.146 4.489 . 0 0 "[ . 1 . 2]" 1
83 1 6 GLU HB2 1 7 GLY H 4.730 . 4.730 4.336 4.263 4.383 . 0 0 "[ . 1 . 2]" 1
84 1 6 GLU HB2 1 23 LEU MD2 4.020 . 4.020 2.057 2.044 2.065 . 0 0 "[ . 1 . 2]" 1
85 1 6 GLU HB3 1 7 GLY H 4.730 . 4.730 3.960 3.928 3.982 . 0 0 "[ . 1 . 2]" 1
86 1 6 GLU HB3 1 23 LEU MD2 4.020 . 4.020 3.420 3.413 3.432 . 0 0 "[ . 1 . 2]" 1
87 1 6 GLU QG 1 7 GLY H 3.530 . 3.530 2.737 2.613 2.813 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLU QG 1 23 LEU HB3 4.880 . 4.880 4.334 4.312 4.367 . 0 0 "[ . 1 . 2]" 1
89 1 6 GLU QG 1 23 LEU MD1 4.750 . 4.750 3.961 3.945 3.979 . 0 0 "[ . 1 . 2]" 1
90 1 6 GLU QG 1 23 LEU MD2 3.840 . 3.840 2.132 2.121 2.139 . 0 0 "[ . 1 . 2]" 1
91 1 6 GLU HG2 1 7 GLY H 4.060 . 4.060 2.865 2.740 2.934 . 0 0 "[ . 1 . 2]" 1
92 1 6 GLU HG2 1 23 LEU MD2 4.670 . 4.670 3.498 3.486 3.505 . 0 0 "[ . 1 . 2]" 1
93 1 6 GLU HG3 1 7 GLY H 4.060 . 4.060 3.472 3.292 3.615 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLU HG3 1 23 LEU MD2 4.670 . 4.670 2.150 2.140 2.158 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLY H 1 8 GLU H 3.510 . 3.510 2.469 2.326 2.721 . 0 0 "[ . 1 . 2]" 1
96 1 7 GLY H 1 23 LEU MD1 5.500 . 5.500 5.518 5.514 5.521 0.021 8 0 "[ . 1 . 2]" 1
97 1 7 GLY H 1 23 LEU MD2 4.790 . 4.790 4.404 4.323 4.455 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLY H 1 33 THR MG 4.010 . 4.010 3.504 3.426 3.590 . 0 0 "[ . 1 . 2]" 1
99 1 7 GLY H 1 34 CYS H 4.220 . 4.220 3.594 3.541 3.638 . 0 0 "[ . 1 . 2]" 1
100 1 7 GLY H 1 34 CYS HB2 3.680 . 3.680 2.998 2.939 3.052 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLY H 1 34 CYS HB3 4.040 . 4.040 3.726 3.643 3.774 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLY HA2 1 33 THR MG 3.630 . 3.630 3.588 3.470 3.647 0.017 1 0 "[ . 1 . 2]" 1
103 1 7 GLY HA3 1 33 THR MG 4.840 . 4.840 4.803 4.722 4.851 0.011 2 0 "[ . 1 . 2]" 1
104 1 8 GLU H 1 8 GLU QB 3.110 . 3.110 3.023 2.838 3.119 0.009 15 0 "[ . 1 . 2]" 1
105 1 8 GLU H 1 8 GLU HG2 3.550 . 3.550 2.544 2.401 2.766 . 0 0 "[ . 1 . 2]" 1
106 1 8 GLU H 1 8 GLU HG3 3.720 . 3.720 3.012 2.842 3.181 . 0 0 "[ . 1 . 2]" 1
107 1 8 GLU H 1 9 SER H 4.740 . 4.740 4.460 4.438 4.500 . 0 0 "[ . 1 . 2]" 1
108 1 8 GLU H 1 33 THR MG 4.310 . 4.310 3.556 3.246 4.098 . 0 0 "[ . 1 . 2]" 1
109 1 8 GLU H 1 34 CYS H 3.990 . 3.990 3.323 3.013 3.864 . 0 0 "[ . 1 . 2]" 1
110 1 8 GLU H 1 34 CYS HB2 4.060 . 4.060 2.866 2.740 3.081 . 0 0 "[ . 1 . 2]" 1
111 1 8 GLU H 1 34 CYS HB3 4.430 . 4.430 4.392 4.324 4.450 0.020 4 0 "[ . 1 . 2]" 1
112 1 8 GLU HA 1 8 GLU HG2 3.980 . 3.980 3.862 3.782 3.914 . 0 0 "[ . 1 . 2]" 1
113 1 8 GLU HA 1 8 GLU HG3 3.820 . 3.820 3.729 3.687 3.798 . 0 0 "[ . 1 . 2]" 1
114 1 8 GLU HA 1 9 SER H 3.230 . 3.230 2.573 2.553 2.587 . 0 0 "[ . 1 . 2]" 1
115 1 8 GLU HA 1 33 THR MG 5.200 . 5.200 3.640 3.480 3.887 . 0 0 "[ . 1 . 2]" 1
116 1 8 GLU QB 1 9 SER H 3.660 . 3.660 2.111 2.085 2.154 . 0 0 "[ . 1 . 2]" 1
117 1 8 GLU HG2 1 9 SER H 4.510 . 4.510 4.509 4.479 4.524 0.014 17 0 "[ . 1 . 2]" 1
118 1 8 GLU HG2 1 34 CYS H 5.500 . 5.500 4.984 4.757 5.365 . 0 0 "[ . 1 . 2]" 1
119 1 8 GLU HG3 1 9 SER H 3.380 . 3.380 3.393 3.382 3.401 0.021 16 0 "[ . 1 . 2]" 1
120 1 9 SER H 1 9 SER HB2 3.650 . 3.650 3.012 2.471 3.631 . 0 0 "[ . 1 . 2]" 1
121 1 9 SER H 1 9 SER QB 3.090 . 3.090 2.576 2.336 2.786 . 0 0 "[ . 1 . 2]" 1
122 1 9 SER H 1 9 SER HB3 3.650 . 3.650 3.189 2.586 3.649 . 0 0 "[ . 1 . 2]" 1
123 1 9 SER HA 1 10 CYS H 3.150 . 3.150 2.224 2.178 2.268 . 0 0 "[ . 1 . 2]" 1
124 1 9 SER HA 1 33 THR MG 5.160 . 5.160 3.093 3.014 3.239 . 0 0 "[ . 1 . 2]" 1
125 1 9 SER HA 1 34 CYS H 4.940 . 4.940 3.741 3.546 3.835 . 0 0 "[ . 1 . 2]" 1
126 1 9 SER QB 1 10 CYS H 3.710 . 3.710 2.859 2.657 3.567 . 0 0 "[ . 1 . 2]" 1
127 1 10 CYS H 1 31 ASP HA 5.050 . 5.050 4.489 4.360 4.658 . 0 0 "[ . 1 . 2]" 1
128 1 10 CYS H 1 32 GLY H 4.050 . 4.050 2.621 2.507 2.767 . 0 0 "[ . 1 . 2]" 1
129 1 10 CYS H 1 32 GLY QA 5.290 . 5.290 3.726 3.650 3.871 . 0 0 "[ . 1 . 2]" 1
130 1 10 CYS HA 1 11 ASN H 2.980 . 2.980 2.156 2.147 2.169 . 0 0 "[ . 1 . 2]" 1
131 1 10 CYS HA 1 15 TYR HB2 5.500 . 5.500 5.114 5.021 5.200 . 0 0 "[ . 1 . 2]" 1
132 1 10 CYS HA 1 15 TYR HB3 3.810 . 3.810 3.393 3.298 3.480 . 0 0 "[ . 1 . 2]" 1
133 1 10 CYS HA 1 15 TYR QD 3.600 . 3.600 2.656 2.456 2.777 . 0 0 "[ . 1 . 2]" 1
134 1 10 CYS HA 1 15 TYR QE 5.390 . 5.390 4.457 4.238 4.605 . 0 0 "[ . 1 . 2]" 1
135 1 10 CYS HA 1 16 PRO HA 5.500 . 5.500 5.031 4.961 5.074 . 0 0 "[ . 1 . 2]" 1
136 1 10 CYS HB2 1 11 ASN H 3.820 . 3.820 3.306 3.239 3.333 . 0 0 "[ . 1 . 2]" 1
137 1 10 CYS HB2 1 12 VAL MG1 5.500 . 5.500 4.392 4.351 4.438 . 0 0 "[ . 1 . 2]" 1
138 1 10 CYS HB2 1 15 TYR QD 5.000 . 5.000 3.915 3.792 4.014 . 0 0 "[ . 1 . 2]" 1
139 1 10 CYS HB2 1 16 PRO HA 4.060 . 4.060 3.108 3.006 3.187 . 0 0 "[ . 1 . 2]" 1
140 1 10 CYS HB3 1 11 ASN H 4.260 . 4.260 4.077 4.008 4.125 . 0 0 "[ . 1 . 2]" 1
141 1 10 CYS HB3 1 16 PRO HA 5.140 . 5.140 4.600 4.465 4.712 . 0 0 "[ . 1 . 2]" 1
142 1 10 CYS HB3 1 17 CYS H 5.350 . 5.350 4.601 4.498 4.672 . 0 0 "[ . 1 . 2]" 1
143 1 11 ASN H 1 11 ASN HB2 4.040 . 4.040 2.314 2.255 2.672 . 0 0 "[ . 1 . 2]" 1
144 1 11 ASN H 1 11 ASN QB 3.370 . 3.370 2.263 2.228 2.412 . 0 0 "[ . 1 . 2]" 1
145 1 11 ASN H 1 11 ASN HB3 4.040 . 4.040 3.419 2.744 3.523 . 0 0 "[ . 1 . 2]" 1
146 1 11 ASN H 1 11 ASN HD21 5.500 . 5.500 4.941 4.515 5.010 . 0 0 "[ . 1 . 2]" 1
147 1 11 ASN H 1 12 VAL H 5.000 . 5.000 4.389 4.374 4.398 . 0 0 "[ . 1 . 2]" 1
148 1 11 ASN H 1 12 VAL HA 5.500 . 5.500 5.123 5.109 5.158 . 0 0 "[ . 1 . 2]" 1
149 1 11 ASN H 1 12 VAL MG1 5.500 . 5.500 5.163 5.145 5.188 . 0 0 "[ . 1 . 2]" 1
150 1 11 ASN H 1 15 TYR H 4.280 . 4.280 3.642 3.611 3.684 . 0 0 "[ . 1 . 2]" 1
151 1 11 ASN H 1 15 TYR HB2 4.350 . 4.350 3.873 3.784 3.959 . 0 0 "[ . 1 . 2]" 1
152 1 11 ASN H 1 15 TYR HB3 3.530 . 3.530 2.250 2.168 2.345 . 0 0 "[ . 1 . 2]" 1
153 1 11 ASN H 1 15 TYR QD 4.720 . 4.720 3.228 3.087 3.333 . 0 0 "[ . 1 . 2]" 1
154 1 11 ASN H 1 16 PRO HA 5.260 . 5.260 4.513 4.482 4.577 . 0 0 "[ . 1 . 2]" 1
155 1 11 ASN H 1 31 ASP HA 5.500 . 5.500 4.660 4.583 4.738 . 0 0 "[ . 1 . 2]" 1
156 1 11 ASN HA 1 11 ASN HD21 4.000 . 4.000 2.831 2.484 2.913 . 0 0 "[ . 1 . 2]" 1
157 1 11 ASN HA 1 11 ASN HD22 4.770 . 4.770 3.649 3.594 3.672 . 0 0 "[ . 1 . 2]" 1
158 1 11 ASN HA 1 12 VAL H 2.900 . 2.900 2.120 2.104 2.130 . 0 0 "[ . 1 . 2]" 1
159 1 11 ASN HA 1 12 VAL HA 4.510 . 4.510 4.380 4.359 4.392 . 0 0 "[ . 1 . 2]" 1
160 1 11 ASN HA 1 12 VAL MG1 4.380 . 4.380 3.799 3.723 3.836 . 0 0 "[ . 1 . 2]" 1
161 1 11 ASN HA 1 12 VAL MG2 4.550 . 4.550 3.723 3.685 3.742 . 0 0 "[ . 1 . 2]" 1
162 1 11 ASN HA 1 13 GLN H 4.820 . 4.820 3.635 3.602 3.685 . 0 0 "[ . 1 . 2]" 1
163 1 11 ASN HA 1 15 TYR H 4.990 . 4.990 4.704 4.679 4.731 . 0 0 "[ . 1 . 2]" 1
164 1 11 ASN HA 1 16 PRO HA 5.500 . 5.500 5.516 5.510 5.523 0.023 11 0 "[ . 1 . 2]" 1
165 1 11 ASN HA 1 30 PRO HA 5.500 . 5.500 5.140 5.039 5.181 . 0 0 "[ . 1 . 2]" 1
166 1 11 ASN HA 1 31 ASP H 4.690 . 4.690 4.699 4.655 4.715 0.025 2 0 "[ . 1 . 2]" 1
167 1 11 ASN HA 1 31 ASP HA 2.950 . 2.950 2.263 2.181 2.391 . 0 0 "[ . 1 . 2]" 1
168 1 11 ASN HA 1 32 GLY H 3.990 . 3.990 3.513 3.345 3.618 . 0 0 "[ . 1 . 2]" 1
169 1 11 ASN QB 1 11 ASN HD21 2.930 . 2.930 2.255 2.231 2.377 . 0 0 "[ . 1 . 2]" 1
170 1 11 ASN QB 1 11 ASN HD22 3.410 . 3.410 3.305 3.296 3.351 . 0 0 "[ . 1 . 2]" 1
171 1 11 ASN QB 1 13 GLN H 4.060 . 4.060 2.507 2.431 3.111 . 0 0 "[ . 1 . 2]" 1
172 1 11 ASN QB 1 14 PHE H 4.250 . 4.250 2.833 2.774 2.968 . 0 0 "[ . 1 . 2]" 1
173 1 11 ASN QB 1 15 TYR H 3.290 . 3.290 2.716 2.506 2.775 . 0 0 "[ . 1 . 2]" 1
174 1 11 ASN QB 1 15 TYR HB2 4.790 . 4.790 3.462 3.315 3.560 . 0 0 "[ . 1 . 2]" 1
175 1 11 ASN QB 1 15 TYR HB3 3.510 . 3.510 2.811 2.729 2.961 . 0 0 "[ . 1 . 2]" 1
176 1 11 ASN QB 1 31 ASP HA 4.370 . 4.370 4.049 3.653 4.224 . 0 0 "[ . 1 . 2]" 1
177 1 11 ASN HB2 1 15 TYR H 4.170 . 4.170 3.171 2.981 4.181 0.011 16 0 "[ . 1 . 2]" 1
178 1 11 ASN HB2 1 31 ASP HA 5.150 . 5.150 4.612 3.776 4.861 . 0 0 "[ . 1 . 2]" 1
179 1 11 ASN HB3 1 15 TYR H 4.170 . 4.170 3.037 2.526 3.132 . 0 0 "[ . 1 . 2]" 1
180 1 11 ASN HB3 1 31 ASP HA 5.150 . 5.150 4.535 4.387 4.858 . 0 0 "[ . 1 . 2]" 1
181 1 11 ASN HD21 1 12 VAL H 4.650 . 4.650 3.667 3.599 3.941 . 0 0 "[ . 1 . 2]" 1
182 1 11 ASN HD21 1 12 VAL MG1 5.500 . 5.500 5.514 5.508 5.531 0.031 16 0 "[ . 1 . 2]" 1
183 1 11 ASN HD21 1 12 VAL MG2 5.500 . 5.500 4.251 4.163 4.708 . 0 0 "[ . 1 . 2]" 1
184 1 11 ASN HD21 1 14 PHE HZ 4.850 . 4.850 3.931 3.735 4.500 . 0 0 "[ . 1 . 2]" 1
185 1 11 ASN HD21 1 30 PRO HB2 4.210 . 4.210 2.454 2.255 3.289 . 0 0 "[ . 1 . 2]" 1
186 1 11 ASN HD21 1 30 PRO HB3 5.200 . 5.200 4.192 3.979 5.011 . 0 0 "[ . 1 . 2]" 1
187 1 11 ASN HD21 1 30 PRO QD 5.500 . 5.500 4.865 4.699 4.990 . 0 0 "[ . 1 . 2]" 1
188 1 11 ASN HD21 1 30 PRO HG2 3.940 . 3.940 3.443 3.323 3.530 . 0 0 "[ . 1 . 2]" 1
189 1 11 ASN HD21 1 30 PRO HG3 4.990 . 4.990 4.676 4.549 5.009 0.019 16 0 "[ . 1 . 2]" 1
190 1 11 ASN HD21 1 31 ASP HA 4.480 . 4.480 3.370 2.375 3.597 . 0 0 "[ . 1 . 2]" 1
191 1 11 ASN HD22 1 12 VAL H 5.420 . 5.420 4.877 4.296 4.999 . 0 0 "[ . 1 . 2]" 1
192 1 11 ASN HD22 1 13 GLN HB2 5.040 . 5.040 4.958 4.122 5.056 0.016 17 0 "[ . 1 . 2]" 1
193 1 11 ASN HD22 1 14 PHE HZ 4.800 . 4.800 3.863 3.664 4.127 . 0 0 "[ . 1 . 2]" 1
194 1 11 ASN HD22 1 30 PRO HB2 3.820 . 3.820 3.070 1.916 3.311 . 0 0 "[ . 1 . 2]" 1
195 1 11 ASN HD22 1 30 PRO QD 5.230 . 5.230 4.414 4.163 4.592 . 0 0 "[ . 1 . 2]" 1
196 1 11 ASN HD22 1 30 PRO HG2 3.740 . 3.740 2.955 2.392 3.089 . 0 0 "[ . 1 . 2]" 1
197 1 11 ASN HD22 1 30 PRO HG3 4.620 . 4.620 4.508 3.625 4.626 0.006 20 0 "[ . 1 . 2]" 1
198 1 12 VAL H 1 12 VAL HB 3.750 . 3.750 3.653 3.643 3.657 . 0 0 "[ . 1 . 2]" 1
199 1 12 VAL H 1 12 VAL MG1 3.130 . 3.130 2.366 2.323 2.399 . 0 0 "[ . 1 . 2]" 1
200 1 12 VAL H 1 12 VAL MG2 3.140 . 3.140 2.002 1.969 2.026 . 0 0 "[ . 1 . 2]" 1
201 1 12 VAL H 1 13 GLN H 3.770 . 3.770 2.869 2.845 2.893 . 0 0 "[ . 1 . 2]" 1
202 1 12 VAL H 1 13 GLN HA 5.500 . 5.500 5.214 5.197 5.239 . 0 0 "[ . 1 . 2]" 1
203 1 12 VAL H 1 16 PRO HA 5.500 . 5.500 5.063 5.029 5.093 . 0 0 "[ . 1 . 2]" 1
204 1 12 VAL H 1 30 PRO HB2 4.360 . 4.360 4.059 3.959 4.118 . 0 0 "[ . 1 . 2]" 1
205 1 12 VAL H 1 31 ASP HA 3.620 . 3.620 3.470 3.398 3.593 . 0 0 "[ . 1 . 2]" 1
206 1 12 VAL HA 1 12 VAL HB 2.890 . 2.890 2.485 2.478 2.497 . 0 0 "[ . 1 . 2]" 1
207 1 12 VAL HA 1 12 VAL MG1 2.890 . 2.890 2.310 2.299 2.316 . 0 0 "[ . 1 . 2]" 1
208 1 12 VAL HA 1 12 VAL MG2 3.400 . 3.400 3.239 3.237 3.242 . 0 0 "[ . 1 . 2]" 1
209 1 12 VAL HA 1 15 TYR H 5.500 . 5.500 4.455 4.421 4.500 . 0 0 "[ . 1 . 2]" 1
210 1 12 VAL HA 1 16 PRO HA 3.810 . 3.810 3.261 3.215 3.308 . 0 0 "[ . 1 . 2]" 1
211 1 12 VAL MG1 1 13 GLN H 4.420 . 4.420 4.358 4.341 4.367 . 0 0 "[ . 1 . 2]" 1
212 1 12 VAL MG1 1 16 PRO HA 4.660 . 4.660 3.667 3.600 3.743 . 0 0 "[ . 1 . 2]" 1
213 1 12 VAL MG1 1 25 CYS H 5.500 . 5.500 4.899 4.663 5.011 . 0 0 "[ . 1 . 2]" 1
214 1 12 VAL MG1 1 25 CYS HB2 3.720 . 3.720 3.147 2.918 3.249 . 0 0 "[ . 1 . 2]" 1
215 1 12 VAL MG1 1 25 CYS QB 3.160 . 3.160 2.872 2.699 2.943 . 0 0 "[ . 1 . 2]" 1
216 1 12 VAL MG1 1 25 CYS HB3 3.720 . 3.720 3.318 3.179 3.387 . 0 0 "[ . 1 . 2]" 1
217 1 12 VAL MG1 1 28 GLY H 4.770 . 4.770 4.793 4.783 4.806 0.036 14 0 "[ . 1 . 2]" 1
218 1 12 VAL MG1 1 28 GLY HA2 3.430 . 3.430 2.812 2.795 2.857 . 0 0 "[ . 1 . 2]" 1
219 1 12 VAL MG1 1 29 ASN H 5.040 . 5.040 4.765 4.655 4.813 . 0 0 "[ . 1 . 2]" 1
220 1 12 VAL MG1 1 29 ASN HA 5.450 . 5.450 4.478 4.323 4.570 . 0 0 "[ . 1 . 2]" 1
221 1 12 VAL MG1 1 30 PRO HA 4.370 . 4.370 4.355 4.248 4.378 0.008 9 0 "[ . 1 . 2]" 1
222 1 12 VAL MG1 1 30 PRO HB2 5.450 . 5.450 5.448 5.377 5.462 0.012 7 0 "[ . 1 . 2]" 1
223 1 12 VAL MG1 1 31 ASP HA 5.500 . 5.500 4.465 4.315 4.609 . 0 0 "[ . 1 . 2]" 1
224 1 12 VAL MG2 1 13 GLN H 3.640 . 3.640 3.360 3.296 3.417 . 0 0 "[ . 1 . 2]" 1
225 1 12 VAL MG2 1 13 GLN HA 4.620 . 4.620 3.841 3.803 3.882 . 0 0 "[ . 1 . 2]" 1
226 1 12 VAL MG2 1 13 GLN HB2 3.710 . 3.710 3.642 3.583 3.713 0.003 20 0 "[ . 1 . 2]" 1
227 1 12 VAL MG2 1 25 CYS HB2 5.500 . 5.500 5.354 5.122 5.488 . 0 0 "[ . 1 . 2]" 1
228 1 12 VAL MG2 1 25 CYS HB3 5.500 . 5.500 5.208 5.077 5.334 . 0 0 "[ . 1 . 2]" 1
229 1 12 VAL MG2 1 29 ASN H 5.500 . 5.500 4.196 4.065 4.337 . 0 0 "[ . 1 . 2]" 1
230 1 12 VAL MG2 1 29 ASN HA 4.670 . 4.670 2.912 2.723 3.007 . 0 0 "[ . 1 . 2]" 1
231 1 12 VAL MG2 1 30 PRO HA 3.250 . 3.250 2.353 2.255 2.433 . 0 0 "[ . 1 . 2]" 1
232 1 12 VAL MG2 1 30 PRO HB2 3.930 . 3.930 3.458 3.396 3.506 . 0 0 "[ . 1 . 2]" 1
233 1 12 VAL MG2 1 30 PRO HB3 4.280 . 4.280 3.588 3.469 3.723 . 0 0 "[ . 1 . 2]" 1
234 1 12 VAL MG2 1 31 ASP HA 5.500 . 5.500 4.174 4.128 4.244 . 0 0 "[ . 1 . 2]" 1
235 1 13 GLN H 1 13 GLN HB2 3.080 . 3.080 2.550 2.441 2.605 . 0 0 "[ . 1 . 2]" 1
236 1 13 GLN H 1 13 GLN HB3 3.510 . 3.510 2.798 2.700 2.873 . 0 0 "[ . 1 . 2]" 1
237 1 13 GLN H 1 13 GLN QG 4.290 . 4.290 4.114 4.002 4.160 . 0 0 "[ . 1 . 2]" 1
238 1 13 GLN H 1 14 PHE H 2.920 . 2.920 2.127 2.080 2.160 . 0 0 "[ . 1 . 2]" 1
239 1 13 GLN H 1 14 PHE HB3 5.500 . 5.500 5.486 5.446 5.524 0.024 14 0 "[ . 1 . 2]" 1
240 1 13 GLN H 1 14 PHE HZ 5.500 . 5.500 5.540 5.534 5.546 0.046 19 0 "[ . 1 . 2]" 1
241 1 13 GLN H 1 15 TYR H 4.020 . 4.020 3.273 3.223 3.323 . 0 0 "[ . 1 . 2]" 1
242 1 13 GLN H 1 15 TYR HB3 5.500 . 5.500 5.515 5.506 5.523 0.023 7 0 "[ . 1 . 2]" 1
243 1 13 GLN H 1 30 PRO HB2 4.720 . 4.720 4.354 4.181 4.424 . 0 0 "[ . 1 . 2]" 1
244 1 13 GLN H 1 30 PRO HB3 5.500 . 5.500 5.390 5.227 5.503 0.003 16 0 "[ . 1 . 2]" 1
245 1 13 GLN HA 1 13 GLN QG 3.380 . 3.380 2.497 2.285 2.592 . 0 0 "[ . 1 . 2]" 1
246 1 13 GLN HA 1 15 TYR H 5.480 . 5.480 5.207 5.190 5.236 . 0 0 "[ . 1 . 2]" 1
247 1 13 GLN HB2 1 14 PHE H 4.190 . 4.190 3.794 3.621 3.866 . 0 0 "[ . 1 . 2]" 1
248 1 13 GLN HB3 1 14 PHE H 3.790 . 3.790 2.925 2.832 2.966 . 0 0 "[ . 1 . 2]" 1
249 1 13 GLN HB3 1 15 TYR H 5.500 . 5.500 4.466 4.345 4.506 . 0 0 "[ . 1 . 2]" 1
250 1 13 GLN QG 1 14 PHE HZ 5.370 . 5.370 5.381 5.374 5.405 0.035 14 0 "[ . 1 . 2]" 1
251 1 14 PHE H 1 14 PHE HB2 4.170 . 4.170 3.812 3.778 3.830 . 0 0 "[ . 1 . 2]" 1
252 1 14 PHE H 1 14 PHE HB3 3.970 . 3.970 3.653 3.637 3.691 . 0 0 "[ . 1 . 2]" 1
253 1 14 PHE H 1 15 TYR H 3.070 . 3.070 1.774 1.756 1.787 . 0 0 "[ . 1 . 2]" 1
254 1 14 PHE HB3 1 15 TYR H 4.330 . 4.330 4.343 4.337 4.346 0.016 20 0 "[ . 1 . 2]" 1
255 1 14 PHE HZ 1 15 TYR H 5.460 . 5.460 5.489 5.483 5.500 0.040 11 0 "[ . 1 . 2]" 1
256 1 15 TYR H 1 15 TYR HB2 4.160 . 4.160 2.850 2.782 2.891 . 0 0 "[ . 1 . 2]" 1
257 1 15 TYR H 1 15 TYR HB3 3.830 . 3.830 2.915 2.886 2.943 . 0 0 "[ . 1 . 2]" 1
258 1 15 TYR H 1 15 TYR QD 5.390 . 5.390 4.400 4.374 4.415 . 0 0 "[ . 1 . 2]" 1
259 1 15 TYR H 1 16 PRO HA 5.500 . 5.500 4.734 4.714 4.759 . 0 0 "[ . 1 . 2]" 1
260 1 15 TYR H 1 16 PRO HD2 4.510 . 4.510 4.530 4.525 4.536 0.026 7 0 "[ . 1 . 2]" 1
261 1 15 TYR H 1 16 PRO HD3 3.830 . 3.830 3.653 3.628 3.672 . 0 0 "[ . 1 . 2]" 1
262 1 15 TYR HA 1 16 PRO HD2 3.690 . 3.690 2.254 2.241 2.271 . 0 0 "[ . 1 . 2]" 1
263 1 15 TYR QD 1 16 PRO HD2 5.500 . 5.500 4.293 4.192 4.384 . 0 0 "[ . 1 . 2]" 1
264 1 16 PRO HA 1 17 CYS H 3.110 . 3.110 2.525 2.498 2.548 . 0 0 "[ . 1 . 2]" 1
265 1 16 PRO QB 1 17 CYS H 3.150 . 3.150 2.363 2.320 2.404 . 0 0 "[ . 1 . 2]" 1
266 1 17 CYS H 1 17 CYS QB 3.270 . 3.270 2.315 2.295 2.323 . 0 0 "[ . 1 . 2]" 1
267 1 17 CYS QB 1 18 CYS H 4.590 . 4.590 3.250 3.202 3.278 . 0 0 "[ . 1 . 2]" 1
268 1 17 CYS QB 1 23 LEU HB2 4.080 . 4.080 3.809 3.683 3.862 . 0 0 "[ . 1 . 2]" 1
269 1 17 CYS QB 1 23 LEU HB3 5.260 . 5.260 4.007 3.866 4.061 . 0 0 "[ . 1 . 2]" 1
270 1 17 CYS QB 1 23 LEU MD1 5.320 . 5.320 4.462 4.410 4.510 . 0 0 "[ . 1 . 2]" 1
271 1 18 CYS H 1 18 CYS HB2 3.440 . 3.440 2.456 2.443 2.468 . 0 0 "[ . 1 . 2]" 1
272 1 18 CYS H 1 18 CYS HB3 3.730 . 3.730 3.618 3.614 3.620 . 0 0 "[ . 1 . 2]" 1
273 1 18 CYS H 1 19 PRO HD2 5.400 . 5.400 5.055 5.048 5.068 . 0 0 "[ . 1 . 2]" 1
274 1 18 CYS H 1 19 PRO HD3 5.480 . 5.480 4.375 4.352 4.385 . 0 0 "[ . 1 . 2]" 1
275 1 18 CYS H 1 23 LEU HB2 5.500 . 5.500 3.987 3.822 4.059 . 0 0 "[ . 1 . 2]" 1
276 1 18 CYS H 1 23 LEU MD1 4.100 . 4.100 3.300 3.205 3.382 . 0 0 "[ . 1 . 2]" 1
277 1 18 CYS HA 1 19 PRO HD2 2.910 . 2.910 2.322 2.314 2.338 . 0 0 "[ . 1 . 2]" 1
278 1 18 CYS HA 1 19 PRO HD3 2.910 . 2.910 2.291 2.279 2.299 . 0 0 "[ . 1 . 2]" 1
279 1 18 CYS HB2 1 19 PRO HD2 4.900 . 4.900 4.845 4.834 4.868 . 0 0 "[ . 1 . 2]" 1
280 1 18 CYS HB2 1 21 LEU QD 3.720 . 3.720 3.724 3.722 3.726 0.006 18 0 "[ . 1 . 2]" 1
281 1 18 CYS HB3 1 19 PRO HD2 3.750 . 3.750 3.717 3.704 3.748 . 0 0 "[ . 1 . 2]" 1
282 1 18 CYS HB3 1 19 PRO HD3 4.760 . 4.760 4.469 4.464 4.472 . 0 0 "[ . 1 . 2]" 1
283 1 18 CYS HB3 1 21 LEU QD 3.720 . 3.720 3.501 3.347 3.661 . 0 0 "[ . 1 . 2]" 1
284 1 19 PRO HA 1 20 GLY H 3.040 . 3.040 2.521 2.517 2.525 . 0 0 "[ . 1 . 2]" 1
285 1 19 PRO HA 1 20 GLY QA 4.680 . 4.680 4.117 4.113 4.120 . 0 0 "[ . 1 . 2]" 1
286 1 19 PRO HA 1 21 LEU H 4.560 . 4.560 3.521 3.496 3.541 . 0 0 "[ . 1 . 2]" 1
287 1 19 PRO HA 1 22 GLY H 5.500 . 5.500 3.556 3.526 3.586 . 0 0 "[ . 1 . 2]" 1
288 1 19 PRO HA 1 23 LEU H 5.500 . 5.500 3.320 3.286 3.359 . 0 0 "[ . 1 . 2]" 1
289 1 19 PRO QB 1 20 GLY H 4.030 . 4.030 2.344 2.337 2.353 . 0 0 "[ . 1 . 2]" 1
290 1 19 PRO QG 1 20 GLY H 3.970 . 3.970 3.986 3.982 3.991 0.021 20 0 "[ . 1 . 2]" 1
291 1 20 GLY H 1 21 LEU H 3.970 . 3.970 3.047 3.028 3.084 . 0 0 "[ . 1 . 2]" 1
292 1 20 GLY QA 1 22 GLY H 4.690 . 4.690 4.285 4.249 4.315 . 0 0 "[ . 1 . 2]" 1
293 1 21 LEU H 1 21 LEU HB2 3.780 . 3.780 2.417 2.411 2.428 . 0 0 "[ . 1 . 2]" 1
294 1 21 LEU H 1 21 LEU QB 3.170 . 3.170 2.383 2.378 2.393 . 0 0 "[ . 1 . 2]" 1
295 1 21 LEU H 1 21 LEU HB3 3.780 . 3.780 3.622 3.620 3.626 . 0 0 "[ . 1 . 2]" 1
296 1 21 LEU H 1 21 LEU HG 3.800 . 3.800 3.133 2.725 3.476 . 0 0 "[ . 1 . 2]" 1
297 1 21 LEU H 1 22 GLY H 3.150 . 3.150 2.324 2.302 2.340 . 0 0 "[ . 1 . 2]" 1
298 1 21 LEU H 1 22 GLY HA2 5.500 . 5.500 4.623 4.608 4.634 . 0 0 "[ . 1 . 2]" 1
299 1 21 LEU H 1 22 GLY QA 4.730 . 4.730 4.269 4.258 4.280 . 0 0 "[ . 1 . 2]" 1
300 1 21 LEU H 1 22 GLY HA3 5.500 . 5.500 5.018 5.004 5.028 . 0 0 "[ . 1 . 2]" 1
301 1 21 LEU HA 1 21 LEU QD 3.020 . 3.020 2.734 2.376 3.027 0.007 18 0 "[ . 1 . 2]" 1
302 1 21 LEU HA 1 21 LEU HG 3.970 . 3.970 2.569 2.408 2.769 . 0 0 "[ . 1 . 2]" 1
303 1 21 LEU QB 1 22 GLY H 4.020 . 4.020 2.641 2.619 2.673 . 0 0 "[ . 1 . 2]" 1
304 1 21 LEU QB 1 23 LEU H 4.260 . 4.260 3.967 3.900 4.062 . 0 0 "[ . 1 . 2]" 1
305 1 21 LEU QB 1 23 LEU MD2 4.830 . 4.830 3.958 3.848 4.057 . 0 0 "[ . 1 . 2]" 1
306 1 21 LEU HB2 1 22 GLY H 4.710 . 4.710 2.709 2.686 2.743 . 0 0 "[ . 1 . 2]" 1
307 1 21 LEU HB3 1 22 GLY H 4.710 . 4.710 3.656 3.628 3.695 . 0 0 "[ . 1 . 2]" 1
308 1 22 GLY H 1 23 LEU H 3.440 . 3.440 2.171 2.139 2.229 . 0 0 "[ . 1 . 2]" 1
309 1 22 GLY H 1 23 LEU HB2 5.320 . 5.320 4.104 4.083 4.138 . 0 0 "[ . 1 . 2]" 1
310 1 22 GLY H 1 36 TYR QE 5.500 . 5.500 4.383 4.291 4.456 . 0 0 "[ . 1 . 2]" 1
311 1 22 GLY QA 1 23 LEU HG 5.340 . 5.340 4.085 4.048 4.104 . 0 0 "[ . 1 . 2]" 1
312 1 22 GLY QA 1 36 TYR QD 4.410 . 4.410 4.173 4.041 4.265 . 0 0 "[ . 1 . 2]" 1
313 1 22 GLY QA 1 36 TYR QE 4.110 . 4.110 3.584 3.452 3.691 . 0 0 "[ . 1 . 2]" 1
314 1 22 GLY QA 1 37 LEU QB 5.340 . 5.340 3.657 3.563 3.690 . 0 0 "[ . 1 . 2]" 1
315 1 23 LEU H 1 23 LEU HB2 3.240 . 3.240 2.589 2.575 2.627 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU H 1 23 LEU HB3 3.770 . 3.770 3.739 3.729 3.764 . 0 0 "[ . 1 . 2]" 1
317 1 23 LEU H 1 23 LEU MD1 3.980 . 3.980 3.705 3.667 3.791 . 0 0 "[ . 1 . 2]" 1
318 1 23 LEU H 1 23 LEU MD2 4.410 . 4.410 4.044 4.021 4.083 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU H 1 23 LEU HG 3.260 . 3.260 2.933 2.891 2.999 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU H 1 24 THR H 5.500 . 5.500 4.498 4.477 4.508 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU H 1 36 TYR QE 5.500 . 5.500 5.358 5.307 5.420 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU HA 1 23 LEU MD2 4.230 . 4.230 2.265 2.247 2.278 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU HB2 1 23 LEU MD1 3.180 . 3.180 2.207 2.206 2.212 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU HB2 1 23 LEU MD2 3.530 . 3.530 3.181 3.176 3.187 . 0 0 "[ . 1 . 2]" 1
325 1 23 LEU HB2 1 24 THR H 4.510 . 4.510 3.857 3.840 3.883 . 0 0 "[ . 1 . 2]" 1
326 1 23 LEU HB2 1 34 CYS HB3 4.490 . 4.490 4.335 4.229 4.468 . 0 0 "[ . 1 . 2]" 1
327 1 23 LEU HB2 1 36 TYR QD 5.430 . 5.430 5.435 5.431 5.441 0.011 15 0 "[ . 1 . 2]" 1
328 1 23 LEU HB3 1 23 LEU MD1 3.280 . 3.280 2.546 2.532 2.551 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU HB3 1 23 LEU MD2 3.410 . 3.410 2.288 2.279 2.300 . 0 0 "[ . 1 . 2]" 1
330 1 23 LEU HB3 1 24 THR H 3.860 . 3.860 2.750 2.717 2.793 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU HB3 1 34 CYS HA 4.970 . 4.970 3.743 3.703 3.849 . 0 0 "[ . 1 . 2]" 1
332 1 23 LEU HB3 1 34 CYS HB3 3.640 . 3.640 2.957 2.814 3.074 . 0 0 "[ . 1 . 2]" 1
333 1 23 LEU HB3 1 35 TYR H 5.500 . 5.500 3.721 3.672 3.840 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU MD1 1 24 THR H 5.440 . 5.440 4.832 4.807 4.856 . 0 0 "[ . 1 . 2]" 1
335 1 23 LEU MD1 1 34 CYS HA 5.450 . 5.450 5.025 4.955 5.114 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU MD1 1 34 CYS HB3 3.970 . 3.970 3.139 3.094 3.236 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU MD2 1 24 THR H 4.480 . 4.480 3.480 3.442 3.525 . 0 0 "[ . 1 . 2]" 1
338 1 23 LEU MD2 1 34 CYS HA 5.060 . 5.060 4.246 4.197 4.323 . 0 0 "[ . 1 . 2]" 1
339 1 23 LEU MD2 1 34 CYS HB2 4.760 . 4.760 4.190 4.068 4.349 . 0 0 "[ . 1 . 2]" 1
340 1 23 LEU MD2 1 34 CYS HB3 3.590 . 3.590 2.819 2.732 2.932 . 0 0 "[ . 1 . 2]" 1
341 1 23 LEU MD2 1 35 TYR H 4.940 . 4.940 3.735 3.668 3.834 . 0 0 "[ . 1 . 2]" 1
342 1 23 LEU MD2 1 36 TYR H 4.690 . 4.690 3.373 3.303 3.524 . 0 0 "[ . 1 . 2]" 1
343 1 23 LEU MD2 1 36 TYR HA 5.170 . 5.170 2.354 2.307 2.446 . 0 0 "[ . 1 . 2]" 1
344 1 23 LEU MD2 1 36 TYR HB2 4.520 . 4.520 2.807 2.758 2.896 . 0 0 "[ . 1 . 2]" 1
345 1 23 LEU MD2 1 36 TYR HB3 4.520 . 4.520 4.099 4.058 4.193 . 0 0 "[ . 1 . 2]" 1
346 1 23 LEU MD2 1 36 TYR QD 3.800 . 3.800 2.280 2.225 2.415 . 0 0 "[ . 1 . 2]" 1
347 1 23 LEU MD2 1 36 TYR QE 4.620 . 4.620 3.990 3.869 4.147 . 0 0 "[ . 1 . 2]" 1
348 1 23 LEU MD2 1 37 LEU H 5.370 . 5.370 4.180 4.128 4.250 . 0 0 "[ . 1 . 2]" 1
349 1 23 LEU HG 1 36 TYR QD 4.840 . 4.840 3.048 3.019 3.098 . 0 0 "[ . 1 . 2]" 1
350 1 23 LEU HG 1 36 TYR QE 5.500 . 5.500 3.914 3.859 4.038 . 0 0 "[ . 1 . 2]" 1
351 1 24 THR H 1 24 THR HB 3.770 . 3.770 3.328 3.321 3.335 . 0 0 "[ . 1 . 2]" 1
352 1 24 THR H 1 24 THR MG 3.520 . 3.520 2.382 2.366 2.404 . 0 0 "[ . 1 . 2]" 1
353 1 24 THR H 1 25 CYS H 5.200 . 5.200 4.423 4.418 4.431 . 0 0 "[ . 1 . 2]" 1
354 1 24 THR H 1 34 CYS HA 4.600 . 4.600 3.536 3.470 3.589 . 0 0 "[ . 1 . 2]" 1
355 1 24 THR H 1 34 CYS HB3 5.370 . 5.370 4.513 4.361 4.648 . 0 0 "[ . 1 . 2]" 1
356 1 24 THR H 1 35 TYR H 3.830 . 3.830 2.452 2.396 2.508 . 0 0 "[ . 1 . 2]" 1
357 1 24 THR H 1 35 TYR HB2 5.500 . 5.500 4.036 4.006 4.074 . 0 0 "[ . 1 . 2]" 1
358 1 24 THR H 1 37 LEU H 5.500 . 5.500 4.899 4.885 4.911 . 0 0 "[ . 1 . 2]" 1
359 1 24 THR H 1 37 LEU QB 5.500 . 5.500 5.491 5.467 5.507 0.007 18 0 "[ . 1 . 2]" 1
360 1 24 THR HA 1 24 THR MG 3.620 . 3.620 3.247 3.246 3.248 . 0 0 "[ . 1 . 2]" 1
361 1 24 THR HA 1 25 CYS H 2.880 . 2.880 2.306 2.285 2.337 . 0 0 "[ . 1 . 2]" 1
362 1 24 THR HB 1 25 CYS H 4.290 . 4.290 3.879 3.854 3.898 . 0 0 "[ . 1 . 2]" 1
363 1 24 THR HB 1 26 ILE MD 5.150 . 5.150 4.659 4.520 4.751 . 0 0 "[ . 1 . 2]" 1
364 1 24 THR HB 1 26 ILE HG13 5.440 . 5.440 5.116 4.996 5.171 . 0 0 "[ . 1 . 2]" 1
365 1 24 THR HB 1 35 TYR H 5.500 . 5.500 5.262 5.194 5.313 . 0 0 "[ . 1 . 2]" 1
366 1 24 THR HB 1 37 LEU QB 4.640 . 4.640 4.659 4.654 4.663 0.023 7 0 "[ . 1 . 2]" 1
367 1 24 THR HB 1 37 LEU QD 3.990 . 3.990 2.146 2.143 2.151 . 0 0 "[ . 1 . 2]" 1
368 1 24 THR HB 1 37 LEU HG 5.250 . 5.250 3.635 3.606 3.673 . 0 0 "[ . 1 . 2]" 1
369 1 24 THR MG 1 25 CYS H 4.190 . 4.190 3.668 3.601 3.723 . 0 0 "[ . 1 . 2]" 1
370 1 24 THR MG 1 25 CYS QB 5.340 . 5.340 5.021 4.979 5.066 . 0 0 "[ . 1 . 2]" 1
371 1 24 THR MG 1 26 ILE H 4.750 . 4.750 4.425 4.267 4.478 . 0 0 "[ . 1 . 2]" 1
372 1 24 THR MG 1 26 ILE MD 3.370 . 3.370 2.099 2.022 2.143 . 0 0 "[ . 1 . 2]" 1
373 1 24 THR MG 1 34 CYS HA 5.500 . 5.500 4.400 4.317 4.481 . 0 0 "[ . 1 . 2]" 1
374 1 24 THR MG 1 35 TYR H 4.670 . 4.670 3.177 3.092 3.238 . 0 0 "[ . 1 . 2]" 1
375 1 24 THR MG 1 35 TYR HB2 4.330 . 4.330 3.015 2.876 3.102 . 0 0 "[ . 1 . 2]" 1
376 1 24 THR MG 1 35 TYR HB3 4.880 . 4.880 3.887 3.755 3.991 . 0 0 "[ . 1 . 2]" 1
377 1 24 THR MG 1 35 TYR QD 5.250 . 5.250 4.193 4.067 4.290 . 0 0 "[ . 1 . 2]" 1
378 1 24 THR MG 1 37 LEU H 5.470 . 5.470 4.201 4.165 4.240 . 0 0 "[ . 1 . 2]" 1
379 1 24 THR MG 1 37 LEU HA 4.860 . 4.860 4.363 4.324 4.407 . 0 0 "[ . 1 . 2]" 1
380 1 24 THR MG 1 37 LEU QB 4.460 . 4.460 3.897 3.884 3.905 . 0 0 "[ . 1 . 2]" 1
381 1 24 THR MG 1 37 LEU HG 4.930 . 4.930 2.208 2.195 2.222 . 0 0 "[ . 1 . 2]" 1
382 1 25 CYS H 1 25 CYS HB2 3.540 . 3.540 2.348 2.331 2.387 . 0 0 "[ . 1 . 2]" 1
383 1 25 CYS H 1 25 CYS QB 3.010 . 3.010 2.319 2.303 2.355 . 0 0 "[ . 1 . 2]" 1
384 1 25 CYS H 1 25 CYS HB3 3.540 . 3.540 3.593 3.584 3.610 0.070 8 0 "[ . 1 . 2]" 1
385 1 25 CYS H 1 28 GLY HA3 5.500 . 5.500 5.309 5.116 5.440 . 0 0 "[ . 1 . 2]" 1
386 1 25 CYS HA 1 26 ILE H 3.100 . 3.100 2.151 2.148 2.155 . 0 0 "[ . 1 . 2]" 1
387 1 25 CYS HA 1 26 ILE HB 4.950 . 4.950 4.700 4.667 4.807 . 0 0 "[ . 1 . 2]" 1
388 1 25 CYS HA 1 33 THR H 5.090 . 5.090 3.184 3.075 3.692 . 0 0 "[ . 1 . 2]" 1
389 1 25 CYS HA 1 34 CYS HA 3.400 . 3.400 2.977 2.942 3.020 . 0 0 "[ . 1 . 2]" 1
390 1 25 CYS HA 1 35 TYR H 4.340 . 4.340 4.021 3.987 4.055 . 0 0 "[ . 1 . 2]" 1
391 1 25 CYS QB 1 28 GLY HA3 3.960 . 3.960 2.911 2.801 2.973 . 0 0 "[ . 1 . 2]" 1
392 1 26 ILE H 1 26 ILE HB 3.290 . 3.290 2.772 2.747 2.841 . 0 0 "[ . 1 . 2]" 1
393 1 26 ILE H 1 26 ILE MD 4.750 . 4.750 3.614 3.586 3.643 . 0 0 "[ . 1 . 2]" 1
394 1 26 ILE H 1 26 ILE HG12 4.290 . 4.290 4.286 4.223 4.301 0.011 15 0 "[ . 1 . 2]" 1
395 1 26 ILE H 1 26 ILE HG13 3.950 . 3.950 2.916 2.822 2.937 . 0 0 "[ . 1 . 2]" 1
396 1 26 ILE H 1 26 ILE MG 4.280 . 4.280 3.929 3.920 3.959 . 0 0 "[ . 1 . 2]" 1
397 1 26 ILE H 1 28 GLY H 5.500 . 5.500 4.831 4.749 4.873 . 0 0 "[ . 1 . 2]" 1
398 1 26 ILE H 1 32 GLY QA 3.380 . 3.380 3.090 3.042 3.189 . 0 0 "[ . 1 . 2]" 1
399 1 26 ILE H 1 33 THR H 3.330 . 3.330 1.727 1.621 2.250 . 0 0 "[ . 1 . 2]" 1
400 1 26 ILE H 1 33 THR HB 4.830 . 4.830 3.491 3.395 3.628 . 0 0 "[ . 1 . 2]" 1
401 1 26 ILE H 1 34 CYS HA 4.250 . 4.250 4.203 4.114 4.258 0.008 6 0 "[ . 1 . 2]" 1
402 1 26 ILE H 1 35 TYR H 5.140 . 5.140 4.657 4.490 4.728 . 0 0 "[ . 1 . 2]" 1
403 1 26 ILE H 1 35 TYR QE 5.500 . 5.500 5.077 4.829 5.168 . 0 0 "[ . 1 . 2]" 1
404 1 26 ILE HA 1 26 ILE MD 4.030 . 4.030 3.925 3.914 3.957 . 0 0 "[ . 1 . 2]" 1
405 1 26 ILE HA 1 26 ILE HG12 3.610 . 3.610 2.906 2.884 2.955 . 0 0 "[ . 1 . 2]" 1
406 1 26 ILE HA 1 26 ILE HG13 3.740 . 3.740 2.733 2.706 2.814 . 0 0 "[ . 1 . 2]" 1
407 1 26 ILE HA 1 26 ILE MG 3.180 . 3.180 2.415 2.365 2.430 . 0 0 "[ . 1 . 2]" 1
408 1 26 ILE HA 1 27 PRO HA 2.990 . 2.990 2.107 2.081 2.224 . 0 0 "[ . 1 . 2]" 1
409 1 26 ILE HA 1 28 GLY H 4.300 . 4.300 3.823 3.676 3.859 . 0 0 "[ . 1 . 2]" 1
410 1 26 ILE HA 1 32 GLY QA 4.210 . 4.210 3.766 3.678 3.800 . 0 0 "[ . 1 . 2]" 1
411 1 26 ILE HB 1 26 ILE MD 3.670 . 3.670 2.291 2.283 2.299 . 0 0 "[ . 1 . 2]" 1
412 1 26 ILE HB 1 27 PRO HA 4.370 . 4.370 4.309 4.244 4.336 . 0 0 "[ . 1 . 2]" 1
413 1 26 ILE HB 1 33 THR H 4.710 . 4.710 3.532 3.445 3.752 . 0 0 "[ . 1 . 2]" 1
414 1 26 ILE HB 1 35 TYR QD 3.420 . 3.420 2.953 2.859 2.991 . 0 0 "[ . 1 . 2]" 1
415 1 26 ILE MD 1 26 ILE MG 3.170 . 3.170 2.326 2.306 2.340 . 0 0 "[ . 1 . 2]" 1
416 1 26 ILE MD 1 27 PRO HA 5.060 . 5.060 5.074 5.066 5.087 0.027 8 0 "[ . 1 . 2]" 1
417 1 26 ILE MD 1 35 TYR H 5.410 . 5.410 3.705 3.664 3.766 . 0 0 "[ . 1 . 2]" 1
418 1 26 ILE MD 1 35 TYR HB2 3.830 . 3.830 2.255 2.235 2.287 . 0 0 "[ . 1 . 2]" 1
419 1 26 ILE MD 1 35 TYR HB3 4.200 . 4.200 3.471 3.409 3.535 . 0 0 "[ . 1 . 2]" 1
420 1 26 ILE MD 1 35 TYR QD 4.020 . 4.020 2.273 2.258 2.329 . 0 0 "[ . 1 . 2]" 1
421 1 26 ILE MD 1 35 TYR QE 5.500 . 5.500 4.018 3.965 4.087 . 0 0 "[ . 1 . 2]" 1
422 1 26 ILE HG12 1 26 ILE MG 3.380 . 3.380 2.199 2.195 2.204 . 0 0 "[ . 1 . 2]" 1
423 1 26 ILE HG12 1 27 PRO HA 4.860 . 4.860 4.079 4.047 4.197 . 0 0 "[ . 1 . 2]" 1
424 1 26 ILE HG12 1 35 TYR QD 5.360 . 5.360 4.975 4.920 5.002 . 0 0 "[ . 1 . 2]" 1
425 1 26 ILE HG13 1 26 ILE MG 3.580 . 3.580 3.139 3.133 3.145 . 0 0 "[ . 1 . 2]" 1
426 1 26 ILE HG13 1 27 PRO HA 5.390 . 5.390 4.605 4.559 4.766 . 0 0 "[ . 1 . 2]" 1
427 1 26 ILE HG13 1 35 TYR H 5.500 . 5.500 4.783 4.675 4.821 . 0 0 "[ . 1 . 2]" 1
428 1 26 ILE HG13 1 35 TYR QD 4.240 . 4.240 4.154 4.041 4.194 . 0 0 "[ . 1 . 2]" 1
429 1 26 ILE MG 1 27 PRO HA 3.010 . 3.010 2.313 2.196 2.348 . 0 0 "[ . 1 . 2]" 1
430 1 26 ILE MG 1 27 PRO HB3 3.880 . 3.880 3.650 3.513 3.695 . 0 0 "[ . 1 . 2]" 1
431 1 26 ILE MG 1 27 PRO HD2 4.510 . 4.510 4.455 4.281 4.497 . 0 0 "[ . 1 . 2]" 1
432 1 26 ILE MG 1 27 PRO QD 3.730 . 3.730 3.413 3.239 3.457 . 0 0 "[ . 1 . 2]" 1
433 1 26 ILE MG 1 27 PRO HD3 4.510 . 4.510 3.544 3.353 3.593 . 0 0 "[ . 1 . 2]" 1
434 1 26 ILE MG 1 27 PRO QG 4.880 . 4.880 3.654 3.512 4.341 . 0 0 "[ . 1 . 2]" 1
435 1 26 ILE MG 1 28 GLY H 5.290 . 5.290 4.834 4.759 4.859 . 0 0 "[ . 1 . 2]" 1
436 1 26 ILE MG 1 33 THR H 5.370 . 5.370 4.356 4.303 4.462 . 0 0 "[ . 1 . 2]" 1
437 1 26 ILE MG 1 35 TYR QD 4.240 . 4.240 4.265 4.252 4.270 0.030 18 0 "[ . 1 . 2]" 1
438 1 26 ILE MG 1 35 TYR QE 5.060 . 5.060 4.585 4.515 4.671 . 0 0 "[ . 1 . 2]" 1
439 1 27 PRO HA 1 29 ASN H 5.500 . 5.500 5.002 4.973 5.083 . 0 0 "[ . 1 . 2]" 1
440 1 27 PRO HB2 1 28 GLY H 4.150 . 4.150 2.812 2.749 3.096 . 0 0 "[ . 1 . 2]" 1
441 1 27 PRO HB2 1 29 ASN H 4.050 . 4.050 2.858 2.777 3.218 . 0 0 "[ . 1 . 2]" 1
442 1 27 PRO HB2 1 29 ASN HD21 4.950 . 4.950 3.533 2.719 4.233 . 0 0 "[ . 1 . 2]" 1
443 1 27 PRO HB2 1 29 ASN HD22 4.650 . 4.650 2.570 1.763 3.157 . 0 0 "[ . 1 . 2]" 1
444 1 27 PRO HB3 1 29 ASN HD21 5.500 . 5.500 4.647 3.730 5.498 . 0 0 "[ . 1 . 2]" 1
445 1 27 PRO HB3 1 29 ASN HD22 4.890 . 4.890 3.247 2.467 3.978 . 0 0 "[ . 1 . 2]" 1
446 1 27 PRO QD 1 28 GLY H 3.450 . 3.450 2.167 2.055 2.798 . 0 0 "[ . 1 . 2]" 1
447 1 27 PRO QD 1 29 ASN H 5.010 . 5.010 3.648 3.492 4.472 . 0 0 "[ . 1 . 2]" 1
448 1 27 PRO HD2 1 28 GLY H 4.330 . 4.330 2.186 2.067 2.859 . 0 0 "[ . 1 . 2]" 1
449 1 27 PRO HD3 1 28 GLY H 4.330 . 4.330 3.657 3.594 3.976 . 0 0 "[ . 1 . 2]" 1
450 1 27 PRO QG 1 28 GLY H 3.300 . 3.300 3.150 2.179 3.326 0.026 5 0 "[ . 1 . 2]" 1
451 1 27 PRO QG 1 29 ASN H 3.660 . 3.660 3.553 2.736 3.699 0.039 11 0 "[ . 1 . 2]" 1
452 1 27 PRO QG 1 29 ASN HD21 5.350 . 5.350 4.590 4.249 4.666 . 0 0 "[ . 1 . 2]" 1
453 1 27 PRO QG 1 29 ASN HD22 4.790 . 4.790 3.618 3.592 3.706 . 0 0 "[ . 1 . 2]" 1
454 1 27 PRO HG2 1 29 ASN HD22 5.470 . 5.470 3.824 3.725 4.195 . 0 0 "[ . 1 . 2]" 1
455 1 27 PRO HG3 1 29 ASN HD22 5.470 . 5.470 4.535 4.127 4.775 . 0 0 "[ . 1 . 2]" 1
456 1 28 GLY H 1 29 ASN H 3.160 . 3.160 2.352 2.317 2.482 . 0 0 "[ . 1 . 2]" 1
457 1 28 GLY H 1 31 ASP H 4.850 . 4.850 4.732 4.687 4.821 . 0 0 "[ . 1 . 2]" 1
458 1 28 GLY H 1 32 GLY H 5.500 . 5.500 4.223 4.058 4.270 . 0 0 "[ . 1 . 2]" 1
459 1 28 GLY H 1 32 GLY HA2 3.820 . 3.820 2.526 2.206 2.628 . 0 0 "[ . 1 . 2]" 1
460 1 28 GLY H 1 32 GLY QA 3.220 . 3.220 2.303 2.069 2.358 . 0 0 "[ . 1 . 2]" 1
461 1 28 GLY H 1 32 GLY HA3 3.820 . 3.820 2.666 2.503 2.773 . 0 0 "[ . 1 . 2]" 1
462 1 28 GLY H 1 33 THR H 4.800 . 4.800 4.339 4.082 4.413 . 0 0 "[ . 1 . 2]" 1
463 1 28 GLY HA2 1 29 ASN H 3.480 . 3.480 2.926 2.850 2.955 . 0 0 "[ . 1 . 2]" 1
464 1 28 GLY HA2 1 32 GLY H 3.670 . 3.670 3.616 3.394 3.675 0.005 17 0 "[ . 1 . 2]" 1
465 1 28 GLY HA2 1 32 GLY HA2 4.300 . 4.300 3.605 3.323 3.745 . 0 0 "[ . 1 . 2]" 1
466 1 28 GLY HA2 1 32 GLY QA 3.690 . 3.690 2.537 2.299 2.645 . 0 0 "[ . 1 . 2]" 1
467 1 28 GLY HA2 1 32 GLY HA3 4.300 . 4.300 2.593 2.336 2.704 . 0 0 "[ . 1 . 2]" 1
468 1 29 ASN H 1 29 ASN HB2 4.090 . 4.090 3.888 3.862 3.925 . 0 0 "[ . 1 . 2]" 1
469 1 29 ASN H 1 29 ASN QB 3.590 . 3.590 3.275 3.256 3.308 . 0 0 "[ . 1 . 2]" 1
470 1 29 ASN H 1 29 ASN HB3 4.090 . 4.090 3.526 3.503 3.562 . 0 0 "[ . 1 . 2]" 1
471 1 29 ASN H 1 29 ASN HD21 4.900 . 4.900 3.685 3.204 4.098 . 0 0 "[ . 1 . 2]" 1
472 1 29 ASN H 1 29 ASN HD22 5.370 . 5.370 3.968 3.691 4.213 . 0 0 "[ . 1 . 2]" 1
473 1 29 ASN H 1 30 PRO HA 4.430 . 4.430 3.817 3.766 3.927 . 0 0 "[ . 1 . 2]" 1
474 1 29 ASN H 1 31 ASP H 3.550 . 3.550 3.538 3.425 3.557 0.007 6 0 "[ . 1 . 2]" 1
475 1 29 ASN H 1 31 ASP HA 5.500 . 5.500 4.746 4.617 4.798 . 0 0 "[ . 1 . 2]" 1
476 1 29 ASN H 1 32 GLY QA 5.340 . 5.340 4.075 3.945 4.126 . 0 0 "[ . 1 . 2]" 1
477 1 29 ASN HA 1 30 PRO HA 3.050 . 3.050 1.945 1.935 1.957 . 0 0 "[ . 1 . 2]" 1
478 1 29 ASN HA 1 30 PRO QD 4.830 . 4.830 4.070 4.063 4.073 . 0 0 "[ . 1 . 2]" 1
479 1 29 ASN QB 1 29 ASN HD21 3.080 . 3.080 2.207 2.199 2.217 . 0 0 "[ . 1 . 2]" 1
480 1 29 ASN QB 1 29 ASN HD22 3.510 . 3.510 3.291 3.288 3.296 . 0 0 "[ . 1 . 2]" 1
481 1 29 ASN HB2 1 29 ASN HD21 3.530 . 3.530 2.782 2.224 3.463 . 0 0 "[ . 1 . 2]" 1
482 1 29 ASN HB2 1 30 PRO HA 4.240 . 4.240 4.211 4.158 4.240 . 0 0 "[ . 1 . 2]" 1
483 1 29 ASN HB3 1 29 ASN HD21 3.530 . 3.530 2.909 2.233 3.461 . 0 0 "[ . 1 . 2]" 1
484 1 29 ASN HB3 1 30 PRO HA 4.240 . 4.240 4.289 4.281 4.298 0.058 14 0 "[ . 1 . 2]" 1
485 1 30 PRO HB2 1 31 ASP HA 5.500 . 5.500 4.225 4.204 4.263 . 0 0 "[ . 1 . 2]" 1
486 1 30 PRO QD 1 31 ASP H 3.170 . 3.170 1.970 1.922 2.071 . 0 0 "[ . 1 . 2]" 1
487 1 30 PRO QD 1 31 ASP HA 5.500 . 5.500 4.654 4.600 4.763 . 0 0 "[ . 1 . 2]" 1
488 1 30 PRO HG2 1 31 ASP H 3.700 . 3.700 2.806 2.657 2.847 . 0 0 "[ . 1 . 2]" 1
489 1 30 PRO HG3 1 31 ASP H 4.000 . 4.000 4.008 3.949 4.020 0.020 9 0 "[ . 1 . 2]" 1
490 1 31 ASP H 1 31 ASP HB2 3.870 . 3.870 3.083 2.369 3.646 . 0 0 "[ . 1 . 2]" 1
491 1 31 ASP H 1 31 ASP QB 3.280 . 3.280 2.593 2.281 2.826 . 0 0 "[ . 1 . 2]" 1
492 1 31 ASP H 1 31 ASP HB3 3.870 . 3.870 3.074 2.809 3.604 . 0 0 "[ . 1 . 2]" 1
493 1 31 ASP H 1 32 GLY H 5.400 . 5.400 4.588 4.570 4.597 . 0 0 "[ . 1 . 2]" 1
494 1 31 ASP HA 1 32 GLY H 3.020 . 3.020 2.273 2.241 2.306 . 0 0 "[ . 1 . 2]" 1
495 1 31 ASP HA 1 32 GLY HA2 5.340 . 5.340 4.486 4.459 4.506 . 0 0 "[ . 1 . 2]" 1
496 1 31 ASP HA 1 32 GLY QA 4.640 . 4.640 3.909 3.896 3.917 . 0 0 "[ . 1 . 2]" 1
497 1 31 ASP HA 1 32 GLY HA3 5.340 . 5.340 4.303 4.297 4.315 . 0 0 "[ . 1 . 2]" 1
498 1 31 ASP QB 1 32 GLY H 3.220 . 3.220 2.783 2.602 3.262 0.042 17 0 "[ . 1 . 2]" 1
499 1 32 GLY H 1 33 THR H 5.310 . 5.310 4.371 4.356 4.392 . 0 0 "[ . 1 . 2]" 1
500 1 32 GLY QA 1 33 THR H 2.750 . 2.750 2.261 2.230 2.273 . 0 0 "[ . 1 . 2]" 1
501 1 32 GLY HA2 1 33 THR H 3.150 . 3.150 2.584 2.334 2.643 . 0 0 "[ . 1 . 2]" 1
502 1 32 GLY HA3 1 33 THR H 3.150 . 3.150 2.519 2.455 2.831 . 0 0 "[ . 1 . 2]" 1
503 1 33 THR H 1 33 THR HB 3.340 . 3.340 2.984 2.893 3.014 . 0 0 "[ . 1 . 2]" 1
504 1 33 THR H 1 33 THR MG 4.590 . 4.590 3.936 3.817 3.954 . 0 0 "[ . 1 . 2]" 1
505 1 33 THR H 1 35 TYR QD 5.500 . 5.500 4.537 4.485 4.595 . 0 0 "[ . 1 . 2]" 1
506 1 33 THR H 1 35 TYR QE 5.400 . 5.400 4.908 4.567 5.006 . 0 0 "[ . 1 . 2]" 1
507 1 33 THR HB 1 34 CYS H 4.710 . 4.710 3.632 3.593 3.711 . 0 0 "[ . 1 . 2]" 1
508 1 33 THR HB 1 35 TYR QD 4.820 . 4.820 2.695 2.563 2.858 . 0 0 "[ . 1 . 2]" 1
509 1 33 THR MG 1 34 CYS H 3.820 . 3.820 2.342 2.294 2.420 . 0 0 "[ . 1 . 2]" 1
510 1 33 THR MG 1 34 CYS HA 5.230 . 5.230 4.381 4.363 4.412 . 0 0 "[ . 1 . 2]" 1
511 1 33 THR MG 1 35 TYR QD 4.730 . 4.730 3.709 3.537 3.910 . 0 0 "[ . 1 . 2]" 1
512 1 33 THR MG 1 35 TYR QE 4.910 . 4.910 2.810 2.602 3.043 . 0 0 "[ . 1 . 2]" 1
513 1 34 CYS H 1 34 CYS HB2 2.820 . 2.820 2.323 2.284 2.351 . 0 0 "[ . 1 . 2]" 1
514 1 34 CYS H 1 34 CYS HB3 3.790 . 3.790 3.587 3.561 3.604 . 0 0 "[ . 1 . 2]" 1
515 1 34 CYS H 1 35 TYR H 5.390 . 5.390 4.355 4.334 4.376 . 0 0 "[ . 1 . 2]" 1
516 1 34 CYS HA 1 35 TYR H 2.920 . 2.920 2.103 2.095 2.114 . 0 0 "[ . 1 . 2]" 1
517 1 34 CYS HB2 1 35 TYR H 4.880 . 4.880 4.456 4.425 4.500 . 0 0 "[ . 1 . 2]" 1
518 1 35 TYR H 1 35 TYR HB2 3.290 . 3.290 2.535 2.515 2.564 . 0 0 "[ . 1 . 2]" 1
519 1 35 TYR H 1 35 TYR HB3 4.020 . 4.020 3.684 3.670 3.706 . 0 0 "[ . 1 . 2]" 1
520 1 35 TYR H 1 35 TYR QD 4.500 . 4.500 3.545 3.491 3.570 . 0 0 "[ . 1 . 2]" 1
521 1 35 TYR H 1 36 TYR H 5.450 . 5.450 4.477 4.466 4.487 . 0 0 "[ . 1 . 2]" 1
522 1 35 TYR HB2 1 36 TYR H 4.240 . 4.240 3.896 3.828 3.932 . 0 0 "[ . 1 . 2]" 1
523 1 35 TYR HB3 1 36 TYR H 3.580 . 3.580 2.575 2.508 2.622 . 0 0 "[ . 1 . 2]" 1
524 1 35 TYR QD 1 36 TYR H 4.030 . 4.030 3.132 3.089 3.211 . 0 0 "[ . 1 . 2]" 1
525 1 35 TYR QE 1 36 TYR H 5.500 . 5.500 5.404 5.362 5.494 . 0 0 "[ . 1 . 2]" 1
526 1 36 TYR H 1 36 TYR HB2 3.540 . 3.540 2.524 2.509 2.544 . 0 0 "[ . 1 . 2]" 1
527 1 36 TYR H 1 36 TYR QB 3.030 . 3.030 2.331 2.326 2.335 . 0 0 "[ . 1 . 2]" 1
528 1 36 TYR H 1 36 TYR HB3 3.540 . 3.540 2.739 2.710 2.756 . 0 0 "[ . 1 . 2]" 1
529 1 36 TYR H 1 36 TYR QD 4.360 . 4.360 4.239 4.233 4.248 . 0 0 "[ . 1 . 2]" 1
530 1 36 TYR QB 1 37 LEU H 4.040 . 4.040 3.621 3.597 3.656 . 0 0 "[ . 1 . 2]" 1
531 1 36 TYR HB2 1 37 LEU H 4.840 . 4.840 4.296 4.269 4.321 . 0 0 "[ . 1 . 2]" 1
532 1 36 TYR HB3 1 37 LEU H 4.840 . 4.840 3.900 3.872 3.954 . 0 0 "[ . 1 . 2]" 1
533 1 36 TYR QD 1 37 LEU H 4.450 . 4.450 3.393 3.295 3.515 . 0 0 "[ . 1 . 2]" 1
534 1 36 TYR QE 1 37 LEU H 5.500 . 5.500 4.431 4.343 4.524 . 0 0 "[ . 1 . 2]" 1
535 1 37 LEU H 1 37 LEU QB 3.130 . 3.130 2.357 2.347 2.363 . 0 0 "[ . 1 . 2]" 1
536 1 37 LEU H 1 37 LEU QD 4.580 . 4.580 3.336 3.327 3.344 . 0 0 "[ . 1 . 2]" 1
537 1 37 LEU HA 1 37 LEU QD 3.550 . 3.550 2.320 2.316 2.329 . 0 0 "[ . 1 . 2]" 1
538 1 37 LEU HA 1 37 LEU HG 3.870 . 3.870 2.710 2.699 2.725 . 0 0 "[ . 1 . 2]" 1
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