NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603681 |
2n3p   |
25653 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n3p
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 615
_Distance_constraint_stats_list.Viol_count 1569
_Distance_constraint_stats_list.Viol_total 854.867
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0119
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0272
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 TRP 2.047 0.078 6 0 "[ . 1 . 2]"
1 3 CYS 4.594 0.095 17 0 "[ . 1 . 2]"
1 4 ALA 3.204 0.099 2 0 "[ . 1 . 2]"
1 5 GLU 1.204 0.046 2 0 "[ . 1 . 2]"
1 6 GLU 1.224 0.069 17 0 "[ . 1 . 2]"
1 7 GLY 0.724 0.024 1 0 "[ . 1 . 2]"
1 8 GLU 0.711 0.037 7 0 "[ . 1 . 2]"
1 9 SER 0.935 0.056 20 0 "[ . 1 . 2]"
1 10 CYS 1.276 0.050 7 0 "[ . 1 . 2]"
1 11 GLU 1.188 0.054 16 0 "[ . 1 . 2]"
1 12 VAL 2.802 0.084 4 0 "[ . 1 . 2]"
1 13 TYR 6.167 0.095 17 0 "[ . 1 . 2]"
1 14 PRO 4.382 0.099 2 0 "[ . 1 . 2]"
1 15 CYS 2.810 0.052 17 0 "[ . 1 . 2]"
1 16 CYS 2.240 0.044 3 0 "[ . 1 . 2]"
1 17 ASP 0.260 0.018 9 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 6.270 0.069 17 0 "[ . 1 . 2]"
1 20 ILE 4.377 0.086 20 0 "[ . 1 . 2]"
1 21 CYS 3.163 0.086 20 0 "[ . 1 . 2]"
1 22 TYR 5.703 0.087 5 0 "[ . 1 . 2]"
1 23 PRO 4.285 0.087 5 0 "[ . 1 . 2]"
1 24 THR 6.230 0.068 7 0 "[ . 1 . 2]"
1 25 PHE 3.901 0.061 7 0 "[ . 1 . 2]"
1 26 PRO 2.757 0.052 10 0 "[ . 1 . 2]"
1 27 GLU 1.071 0.052 10 0 "[ . 1 . 2]"
1 28 PRO 2.834 0.054 2 0 "[ . 1 . 2]"
1 29 ILE 2.716 0.043 7 0 "[ . 1 . 2]"
1 30 CYS 3.152 0.053 2 0 "[ . 1 . 2]"
1 31 GLY 1.074 0.040 1 0 "[ . 1 . 2]"
1 32 VAL 1.101 0.049 8 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 HA 1 3 CYS H 5.500 . 5.500 4.829 3.856 5.480 . 0 0 "[ . 1 . 2]" 1
2 1 2 TRP H 1 2 TRP QB 3.310 . 3.310 2.592 2.373 2.756 . 0 0 "[ . 1 . 2]" 1
3 1 2 TRP H 1 2 TRP HD1 4.460 . 4.460 3.228 2.902 4.538 0.078 6 0 "[ . 1 . 2]" 1
4 1 2 TRP H 1 2 TRP HE1 5.500 . 5.500 5.414 5.188 5.524 0.024 20 0 "[ . 1 . 2]" 1
5 1 2 TRP H 1 3 CYS H 3.660 . 3.660 2.922 1.916 3.723 0.063 20 0 "[ . 1 . 2]" 1
6 1 2 TRP H 1 3 CYS HA 4.950 . 4.950 4.903 4.655 4.995 0.045 20 0 "[ . 1 . 2]" 1
7 1 2 TRP HA 1 2 TRP HE1 5.500 . 5.500 5.417 5.082 5.472 . 0 0 "[ . 1 . 2]" 1
8 1 2 TRP HA 1 2 TRP HE3 4.700 . 4.700 3.308 3.027 4.758 0.058 6 0 "[ . 1 . 2]" 1
9 1 2 TRP HA 1 3 CYS H 3.480 . 3.480 2.812 2.153 3.507 0.027 5 0 "[ . 1 . 2]" 1
10 1 2 TRP HA 1 3 CYS HA 5.280 . 5.280 4.532 4.343 4.731 . 0 0 "[ . 1 . 2]" 1
11 1 2 TRP QB 1 3 CYS H 3.610 . 3.610 3.268 2.681 3.652 0.042 18 0 "[ . 1 . 2]" 1
12 1 2 TRP QB 1 3 CYS HA 4.960 . 4.960 4.121 3.947 4.243 . 0 0 "[ . 1 . 2]" 1
13 1 2 TRP QB 1 13 TYR QE 3.440 . 3.440 2.768 2.682 2.938 . 0 0 "[ . 1 . 2]" 1
14 1 2 TRP HB2 1 3 CYS H 4.430 . 4.430 3.711 2.734 4.441 0.011 18 0 "[ . 1 . 2]" 1
15 1 2 TRP HB2 1 13 TYR QD 4.440 . 4.440 4.274 4.188 4.445 0.005 2 0 "[ . 1 . 2]" 1
16 1 2 TRP HB2 1 13 TYR QE 4.030 . 4.030 3.370 2.877 4.038 0.008 8 0 "[ . 1 . 2]" 1
17 1 2 TRP HB3 1 3 CYS H 4.430 . 4.430 3.863 3.690 4.000 . 0 0 "[ . 1 . 2]" 1
18 1 2 TRP HB3 1 13 TYR QD 4.440 . 4.440 3.885 3.616 4.101 . 0 0 "[ . 1 . 2]" 1
19 1 2 TRP HB3 1 13 TYR QE 4.030 . 4.030 3.078 2.836 3.271 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS H 1 4 ALA H 4.760 . 4.760 4.488 4.376 4.602 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS H 1 13 TYR HB2 5.500 . 5.500 5.471 5.353 5.584 0.084 7 0 "[ . 1 . 2]" 1
22 1 3 CYS H 1 13 TYR QD 5.060 . 5.060 4.666 4.563 4.726 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS H 1 13 TYR QE 5.500 . 5.500 5.513 5.446 5.534 0.034 11 0 "[ . 1 . 2]" 1
24 1 3 CYS HA 1 4 ALA H 3.320 . 3.320 2.344 2.311 2.389 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS HA 1 4 ALA HA 5.200 . 5.200 4.355 4.346 4.365 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS HA 1 4 ALA MB 5.500 . 5.500 4.000 3.969 4.020 . 0 0 "[ . 1 . 2]" 1
27 1 3 CYS HA 1 12 VAL MG1 5.450 . 5.450 5.427 5.353 5.476 0.026 15 0 "[ . 1 . 2]" 1
28 1 3 CYS HA 1 13 TYR H 5.500 . 5.500 5.558 5.515 5.595 0.095 17 0 "[ . 1 . 2]" 1
29 1 3 CYS HA 1 13 TYR HA 5.500 . 5.500 4.616 4.597 4.631 . 0 0 "[ . 1 . 2]" 1
30 1 3 CYS HA 1 13 TYR HB2 3.880 . 3.880 3.261 3.173 3.344 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS HA 1 13 TYR HB3 3.570 . 3.570 2.086 2.045 2.122 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS HA 1 13 TYR QD 4.630 . 4.630 2.783 2.663 2.907 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS HA 1 13 TYR QE 5.500 . 5.500 4.664 4.521 4.814 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS HA 1 14 PRO QB 5.500 . 5.500 5.399 5.340 5.446 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS HA 1 14 PRO HD2 3.850 . 3.850 3.372 3.307 3.401 . 0 0 "[ . 1 . 2]" 1
36 1 3 CYS HA 1 14 PRO HD3 5.090 . 5.090 5.090 5.039 5.108 0.018 9 0 "[ . 1 . 2]" 1
37 1 3 CYS HA 1 14 PRO QG 3.960 . 3.960 3.964 3.932 3.980 0.020 20 0 "[ . 1 . 2]" 1
38 1 3 CYS HB2 1 4 ALA H 3.340 . 3.340 2.543 2.463 2.619 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS HB2 1 4 ALA HA 5.500 . 5.500 4.809 4.760 4.856 . 0 0 "[ . 1 . 2]" 1
40 1 3 CYS HB2 1 14 PRO QB 4.440 . 4.440 4.456 4.440 4.476 0.036 7 0 "[ . 1 . 2]" 1
41 1 3 CYS HB2 1 14 PRO QG 3.730 . 3.730 3.365 3.302 3.408 . 0 0 "[ . 1 . 2]" 1
42 1 3 CYS HB2 1 15 CYS HA 4.200 . 4.200 4.072 4.028 4.117 . 0 0 "[ . 1 . 2]" 1
43 1 3 CYS HB2 1 16 CYS HA 4.240 . 4.240 3.455 3.376 3.515 . 0 0 "[ . 1 . 2]" 1
44 1 3 CYS HB3 1 14 PRO QG 3.970 . 3.970 3.628 3.525 3.702 . 0 0 "[ . 1 . 2]" 1
45 1 4 ALA H 1 4 ALA MB 2.830 . 2.830 2.265 2.218 2.279 . 0 0 "[ . 1 . 2]" 1
46 1 4 ALA H 1 5 GLU H 4.600 . 4.600 4.454 4.418 4.480 . 0 0 "[ . 1 . 2]" 1
47 1 4 ALA H 1 10 CYS HA 5.500 . 5.500 4.737 4.652 4.820 . 0 0 "[ . 1 . 2]" 1
48 1 4 ALA H 1 13 TYR HB2 4.320 . 4.320 3.395 3.338 3.476 . 0 0 "[ . 1 . 2]" 1
49 1 4 ALA H 1 13 TYR QD 5.020 . 5.020 4.440 4.337 4.553 . 0 0 "[ . 1 . 2]" 1
50 1 4 ALA H 1 14 PRO QB 5.000 . 5.000 4.846 4.822 4.868 . 0 0 "[ . 1 . 2]" 1
51 1 4 ALA H 1 14 PRO HD2 5.270 . 5.270 4.091 4.022 4.166 . 0 0 "[ . 1 . 2]" 1
52 1 4 ALA H 1 14 PRO QG 4.230 . 4.230 4.237 4.203 4.249 0.019 3 0 "[ . 1 . 2]" 1
53 1 4 ALA HA 1 5 GLU H 2.760 . 2.760 2.147 2.139 2.154 . 0 0 "[ . 1 . 2]" 1
54 1 4 ALA HA 1 5 GLU HA 4.420 . 4.420 4.393 4.389 4.399 . 0 0 "[ . 1 . 2]" 1
55 1 4 ALA HA 1 5 GLU HB3 4.540 . 4.540 4.553 4.548 4.564 0.024 7 0 "[ . 1 . 2]" 1
56 1 4 ALA HA 1 5 GLU HG2 4.490 . 4.490 3.979 3.966 3.988 . 0 0 "[ . 1 . 2]" 1
57 1 4 ALA HA 1 8 GLU HB2 4.840 . 4.840 3.182 2.799 3.340 . 0 0 "[ . 1 . 2]" 1
58 1 4 ALA HA 1 8 GLU HB3 4.410 . 4.410 3.341 2.940 3.443 . 0 0 "[ . 1 . 2]" 1
59 1 4 ALA HA 1 8 GLU QG 3.810 . 3.810 3.707 3.645 3.847 0.037 7 0 "[ . 1 . 2]" 1
60 1 4 ALA HA 1 13 TYR HB3 5.500 . 5.500 4.841 4.748 4.952 . 0 0 "[ . 1 . 2]" 1
61 1 4 ALA HA 1 15 CYS HA 5.350 . 5.350 4.835 4.773 4.883 . 0 0 "[ . 1 . 2]" 1
62 1 4 ALA MB 1 5 GLU H 3.350 . 3.350 3.234 3.190 3.294 . 0 0 "[ . 1 . 2]" 1
63 1 4 ALA MB 1 5 GLU HA 4.450 . 4.450 4.364 4.358 4.373 . 0 0 "[ . 1 . 2]" 1
64 1 4 ALA MB 1 5 GLU HG2 5.500 . 5.500 4.804 4.751 4.899 . 0 0 "[ . 1 . 2]" 1
65 1 4 ALA MB 1 8 GLU H 4.320 . 4.320 4.199 4.002 4.248 . 0 0 "[ . 1 . 2]" 1
66 1 4 ALA MB 1 8 GLU HA 4.710 . 4.710 4.604 4.355 4.661 . 0 0 "[ . 1 . 2]" 1
67 1 4 ALA MB 1 8 GLU HB2 2.820 . 2.820 2.737 2.386 2.822 0.002 20 0 "[ . 1 . 2]" 1
68 1 4 ALA MB 1 8 GLU HB3 4.670 . 4.670 2.836 2.602 2.907 . 0 0 "[ . 1 . 2]" 1
69 1 4 ALA MB 1 8 GLU QG 4.080 . 4.080 4.066 4.028 4.093 0.013 2 0 "[ . 1 . 2]" 1
70 1 4 ALA MB 1 9 SER H 4.330 . 4.330 3.956 3.835 3.983 . 0 0 "[ . 1 . 2]" 1
71 1 4 ALA MB 1 9 SER HA 4.760 . 4.760 4.277 4.222 4.331 . 0 0 "[ . 1 . 2]" 1
72 1 4 ALA MB 1 9 SER HB2 5.500 . 5.500 5.207 5.171 5.254 . 0 0 "[ . 1 . 2]" 1
73 1 4 ALA MB 1 9 SER HB3 5.500 . 5.500 5.543 5.513 5.556 0.056 20 0 "[ . 1 . 2]" 1
74 1 4 ALA MB 1 10 CYS H 4.630 . 4.630 3.990 3.933 4.099 . 0 0 "[ . 1 . 2]" 1
75 1 4 ALA MB 1 10 CYS HA 3.720 . 3.720 2.512 2.443 2.636 . 0 0 "[ . 1 . 2]" 1
76 1 4 ALA MB 1 10 CYS QB 4.370 . 4.370 2.722 2.626 2.802 . 0 0 "[ . 1 . 2]" 1
77 1 4 ALA MB 1 13 TYR H 4.460 . 4.460 3.525 3.461 3.685 . 0 0 "[ . 1 . 2]" 1
78 1 4 ALA MB 1 13 TYR HA 5.500 . 5.500 4.763 4.712 4.849 . 0 0 "[ . 1 . 2]" 1
79 1 4 ALA MB 1 13 TYR HB3 3.630 . 3.630 3.529 3.428 3.647 0.017 7 0 "[ . 1 . 2]" 1
80 1 4 ALA MB 1 13 TYR QD 5.200 . 5.200 4.698 4.593 4.823 . 0 0 "[ . 1 . 2]" 1
81 1 4 ALA MB 1 14 PRO HA 5.500 . 5.500 4.050 3.990 4.092 . 0 0 "[ . 1 . 2]" 1
82 1 4 ALA MB 1 14 PRO HD2 4.940 . 4.940 4.914 4.874 4.950 0.010 10 0 "[ . 1 . 2]" 1
83 1 4 ALA MB 1 14 PRO HD3 5.500 . 5.500 5.583 5.569 5.599 0.099 2 0 "[ . 1 . 2]" 1
84 1 4 ALA MB 1 15 CYS HA 3.120 . 3.120 2.933 2.883 2.978 . 0 0 "[ . 1 . 2]" 1
85 1 4 ALA MB 1 15 CYS HB2 5.500 . 5.500 5.444 5.387 5.497 . 0 0 "[ . 1 . 2]" 1
86 1 4 ALA MB 1 15 CYS HB3 5.500 . 5.500 4.888 4.824 4.935 . 0 0 "[ . 1 . 2]" 1
87 1 4 ALA MB 1 30 CYS H 5.440 . 5.440 4.108 3.952 4.164 . 0 0 "[ . 1 . 2]" 1
88 1 5 GLU H 1 5 GLU HB2 3.710 . 3.710 3.665 3.659 3.670 . 0 0 "[ . 1 . 2]" 1
89 1 5 GLU H 1 5 GLU HB3 3.220 . 3.220 2.766 2.744 2.779 . 0 0 "[ . 1 . 2]" 1
90 1 5 GLU H 1 5 GLU HG2 3.460 . 3.460 2.057 2.045 2.083 . 0 0 "[ . 1 . 2]" 1
91 1 5 GLU H 1 5 GLU HG3 4.250 . 4.250 3.331 3.291 3.353 . 0 0 "[ . 1 . 2]" 1
92 1 5 GLU H 1 6 GLU H 4.720 . 4.720 4.301 4.287 4.312 . 0 0 "[ . 1 . 2]" 1
93 1 5 GLU H 1 8 GLU H 4.490 . 4.490 4.484 4.365 4.501 0.011 2 0 "[ . 1 . 2]" 1
94 1 5 GLU H 1 8 GLU HB2 3.170 . 3.170 2.558 2.483 2.590 . 0 0 "[ . 1 . 2]" 1
95 1 5 GLU H 1 8 GLU HB3 4.490 . 4.490 3.645 3.551 3.685 . 0 0 "[ . 1 . 2]" 1
96 1 5 GLU H 1 8 GLU QG 2.880 . 2.880 2.828 2.791 2.885 0.005 5 0 "[ . 1 . 2]" 1
97 1 5 GLU HA 1 5 GLU HG2 3.810 . 3.810 3.745 3.740 3.768 . 0 0 "[ . 1 . 2]" 1
98 1 5 GLU HA 1 5 GLU HG3 3.950 . 3.950 3.841 3.817 3.847 . 0 0 "[ . 1 . 2]" 1
99 1 5 GLU HA 1 6 GLU H 3.250 . 3.250 2.930 2.918 2.958 . 0 0 "[ . 1 . 2]" 1
100 1 5 GLU HA 1 6 GLU HA 4.540 . 4.540 4.384 4.379 4.392 . 0 0 "[ . 1 . 2]" 1
101 1 5 GLU HA 1 15 CYS HA 4.680 . 4.680 3.999 3.946 4.113 . 0 0 "[ . 1 . 2]" 1
102 1 5 GLU HA 1 16 CYS H 4.200 . 4.200 3.051 2.978 3.194 . 0 0 "[ . 1 . 2]" 1
103 1 5 GLU HA 1 16 CYS HB3 4.420 . 4.420 4.298 4.258 4.351 . 0 0 "[ . 1 . 2]" 1
104 1 5 GLU HA 1 19 LEU MD1 3.240 . 3.240 2.668 2.597 2.707 . 0 0 "[ . 1 . 2]" 1
105 1 5 GLU HA 1 19 LEU MD2 5.390 . 5.390 4.968 4.900 5.024 . 0 0 "[ . 1 . 2]" 1
106 1 5 GLU HB2 1 6 GLU H 3.010 . 3.010 1.860 1.849 1.882 . 0 0 "[ . 1 . 2]" 1
107 1 5 GLU HB3 1 5 GLU HG2 2.900 . 2.900 2.510 2.482 2.517 . 0 0 "[ . 1 . 2]" 1
108 1 5 GLU HB3 1 6 GLU H 3.640 . 3.640 3.427 3.419 3.439 . 0 0 "[ . 1 . 2]" 1
109 1 5 GLU HG2 1 6 GLU H 3.690 . 3.690 3.731 3.723 3.736 0.046 2 0 "[ . 1 . 2]" 1
110 1 5 GLU HG3 1 6 GLU H 4.390 . 4.390 2.463 2.409 2.478 . 0 0 "[ . 1 . 2]" 1
111 1 5 GLU HG3 1 6 GLU HA 4.820 . 4.820 4.430 4.388 4.441 . 0 0 "[ . 1 . 2]" 1
112 1 6 GLU H 1 6 GLU QB 2.840 . 2.840 2.779 2.762 2.847 0.007 17 0 "[ . 1 . 2]" 1
113 1 6 GLU H 1 6 GLU QG 2.700 . 2.700 1.995 1.841 2.620 . 0 0 "[ . 1 . 2]" 1
114 1 6 GLU H 1 7 GLY H 4.380 . 4.380 4.385 4.324 4.402 0.022 20 0 "[ . 1 . 2]" 1
115 1 6 GLU H 1 19 LEU MD1 3.410 . 3.410 2.916 2.869 2.992 . 0 0 "[ . 1 . 2]" 1
116 1 6 GLU H 1 19 LEU MD2 5.500 . 5.500 4.223 4.173 4.266 . 0 0 "[ . 1 . 2]" 1
117 1 6 GLU HA 1 7 GLY H 2.770 . 2.770 2.110 2.106 2.119 . 0 0 "[ . 1 . 2]" 1
118 1 6 GLU HA 1 7 GLY QA 4.440 . 4.440 3.892 3.886 3.897 . 0 0 "[ . 1 . 2]" 1
119 1 6 GLU HA 1 8 GLU H 3.920 . 3.920 3.480 3.454 3.538 . 0 0 "[ . 1 . 2]" 1
120 1 6 GLU HA 1 8 GLU HB2 5.500 . 5.500 5.013 4.953 5.073 . 0 0 "[ . 1 . 2]" 1
121 1 6 GLU HA 1 19 LEU MD1 3.370 . 3.370 2.325 2.233 2.419 . 0 0 "[ . 1 . 2]" 1
122 1 6 GLU HA 1 19 LEU MD2 3.690 . 3.690 2.890 2.734 2.982 . 0 0 "[ . 1 . 2]" 1
123 1 6 GLU HA 1 30 CYS H 4.860 . 4.860 4.497 4.423 4.622 . 0 0 "[ . 1 . 2]" 1
124 1 6 GLU HA 1 30 CYS HA 5.500 . 5.500 5.369 5.320 5.481 . 0 0 "[ . 1 . 2]" 1
125 1 6 GLU HA 1 30 CYS HB2 4.310 . 4.310 3.744 3.691 3.943 . 0 0 "[ . 1 . 2]" 1
126 1 6 GLU HA 1 30 CYS HB3 3.900 . 3.900 3.749 3.694 3.909 0.009 5 0 "[ . 1 . 2]" 1
127 1 6 GLU HA 1 31 GLY H 5.500 . 5.500 5.421 5.380 5.472 . 0 0 "[ . 1 . 2]" 1
128 1 6 GLU HA 1 31 GLY HA2 5.310 . 5.310 3.885 3.822 3.918 . 0 0 "[ . 1 . 2]" 1
129 1 6 GLU HA 1 31 GLY HA3 5.120 . 5.120 5.057 4.966 5.122 0.002 1 0 "[ . 1 . 2]" 1
130 1 6 GLU QB 1 7 GLY H 3.930 . 3.930 3.413 3.352 3.512 . 0 0 "[ . 1 . 2]" 1
131 1 6 GLU QB 1 8 GLU H 5.240 . 5.240 4.903 4.790 4.985 . 0 0 "[ . 1 . 2]" 1
132 1 6 GLU QB 1 19 LEU MD1 3.220 . 3.220 2.604 2.480 3.217 . 0 0 "[ . 1 . 2]" 1
133 1 6 GLU QB 1 19 LEU MD2 2.400 . 2.400 2.243 2.181 2.469 0.069 17 0 "[ . 1 . 2]" 1
134 1 6 GLU QB 1 31 GLY HA2 4.270 . 4.270 3.776 3.672 3.850 . 0 0 "[ . 1 . 2]" 1
135 1 6 GLU QG 1 7 GLY H 4.590 . 4.590 4.447 4.418 4.601 0.011 17 0 "[ . 1 . 2]" 1
136 1 6 GLU QG 1 19 LEU MD1 4.560 . 4.560 3.421 2.067 4.040 . 0 0 "[ . 1 . 2]" 1
137 1 6 GLU QG 1 19 LEU MD2 4.160 . 4.160 3.791 2.029 4.076 . 0 0 "[ . 1 . 2]" 1
138 1 7 GLY H 1 8 GLU H 3.260 . 3.260 2.167 2.070 2.228 . 0 0 "[ . 1 . 2]" 1
139 1 7 GLY H 1 8 GLU HA 5.090 . 5.090 4.863 4.803 4.906 . 0 0 "[ . 1 . 2]" 1
140 1 7 GLY H 1 19 LEU MD1 4.010 . 4.010 3.943 3.880 3.972 . 0 0 "[ . 1 . 2]" 1
141 1 7 GLY H 1 19 LEU MD2 4.670 . 4.670 4.461 4.275 4.596 . 0 0 "[ . 1 . 2]" 1
142 1 7 GLY H 1 29 ILE MG 4.010 . 4.010 2.467 2.408 2.510 . 0 0 "[ . 1 . 2]" 1
143 1 7 GLY H 1 30 CYS H 4.190 . 4.190 3.586 3.542 3.627 . 0 0 "[ . 1 . 2]" 1
144 1 7 GLY H 1 30 CYS HB2 3.870 . 3.870 3.890 3.884 3.894 0.024 1 0 "[ . 1 . 2]" 1
145 1 7 GLY H 1 30 CYS HB3 4.620 . 4.620 4.619 4.564 4.629 0.009 16 0 "[ . 1 . 2]" 1
146 1 7 GLY H 1 31 GLY HA2 5.440 . 5.440 4.717 4.541 4.813 . 0 0 "[ . 1 . 2]" 1
147 1 7 GLY H 1 31 GLY HA3 5.500 . 5.500 5.224 5.078 5.312 . 0 0 "[ . 1 . 2]" 1
148 1 7 GLY QA 1 29 ILE MD 4.500 . 4.500 4.328 4.238 4.391 . 0 0 "[ . 1 . 2]" 1
149 1 7 GLY QA 1 29 ILE MG 4.140 . 4.140 2.301 2.229 2.361 . 0 0 "[ . 1 . 2]" 1
150 1 8 GLU H 1 8 GLU HB2 2.850 . 2.850 2.473 2.436 2.492 . 0 0 "[ . 1 . 2]" 1
151 1 8 GLU H 1 8 GLU HB3 3.810 . 3.810 3.671 3.642 3.683 . 0 0 "[ . 1 . 2]" 1
152 1 8 GLU H 1 8 GLU QG 3.470 . 3.470 3.099 3.016 3.141 . 0 0 "[ . 1 . 2]" 1
153 1 8 GLU H 1 9 SER H 4.700 . 4.700 4.507 4.498 4.518 . 0 0 "[ . 1 . 2]" 1
154 1 8 GLU H 1 29 ILE HA 4.660 . 4.660 4.659 4.637 4.667 0.007 16 0 "[ . 1 . 2]" 1
155 1 8 GLU H 1 29 ILE HB 5.500 . 5.500 5.510 5.505 5.515 0.015 1 0 "[ . 1 . 2]" 1
156 1 8 GLU H 1 29 ILE MD 5.500 . 5.500 4.522 4.487 4.555 . 0 0 "[ . 1 . 2]" 1
157 1 8 GLU H 1 29 ILE QG 5.500 . 5.500 5.507 5.503 5.514 0.014 5 0 "[ . 1 . 2]" 1
158 1 8 GLU H 1 29 ILE MG 4.520 . 4.520 2.664 2.661 2.668 . 0 0 "[ . 1 . 2]" 1
159 1 8 GLU H 1 30 CYS H 4.080 . 4.080 3.393 3.338 3.431 . 0 0 "[ . 1 . 2]" 1
160 1 8 GLU H 1 30 CYS HB2 4.120 . 4.120 3.625 3.553 3.663 . 0 0 "[ . 1 . 2]" 1
161 1 8 GLU H 1 30 CYS HB3 5.150 . 5.150 4.987 4.902 5.033 . 0 0 "[ . 1 . 2]" 1
162 1 8 GLU HA 1 8 GLU QG 3.060 . 3.060 2.630 2.315 2.678 . 0 0 "[ . 1 . 2]" 1
163 1 8 GLU HA 1 9 SER H 2.830 . 2.830 2.365 2.333 2.381 . 0 0 "[ . 1 . 2]" 1
164 1 8 GLU HA 1 9 SER HA 4.400 . 4.400 4.332 4.326 4.346 . 0 0 "[ . 1 . 2]" 1
165 1 8 GLU HA 1 9 SER HB3 4.670 . 4.670 4.549 4.515 4.576 . 0 0 "[ . 1 . 2]" 1
166 1 8 GLU HA 1 29 ILE MG 5.340 . 5.340 3.415 3.338 3.524 . 0 0 "[ . 1 . 2]" 1
167 1 8 GLU HB2 1 9 SER H 3.840 . 3.840 3.832 3.825 3.844 0.004 5 0 "[ . 1 . 2]" 1
168 1 8 GLU HB2 1 30 CYS H 4.790 . 4.790 4.646 4.444 4.702 . 0 0 "[ . 1 . 2]" 1
169 1 8 GLU HB3 1 8 GLU QG 2.770 . 2.770 2.419 2.415 2.423 . 0 0 "[ . 1 . 2]" 1
170 1 8 GLU HB3 1 9 SER H 2.890 . 2.890 2.540 2.509 2.594 . 0 0 "[ . 1 . 2]" 1
171 1 8 GLU HB3 1 9 SER HA 5.100 . 5.100 4.673 4.645 4.683 . 0 0 "[ . 1 . 2]" 1
172 1 8 GLU HB3 1 10 CYS HA 5.500 . 5.500 5.486 5.339 5.512 0.012 20 0 "[ . 1 . 2]" 1
173 1 8 GLU QG 1 9 SER H 4.290 . 4.290 4.146 3.773 4.201 . 0 0 "[ . 1 . 2]" 1
174 1 9 SER H 1 9 SER HB2 3.770 . 3.770 3.604 3.600 3.614 . 0 0 "[ . 1 . 2]" 1
175 1 9 SER H 1 9 SER HB3 3.250 . 3.250 2.730 2.685 2.773 . 0 0 "[ . 1 . 2]" 1
176 1 9 SER H 1 10 CYS H 4.620 . 4.620 4.551 4.526 4.570 . 0 0 "[ . 1 . 2]" 1
177 1 9 SER H 1 29 ILE HA 5.010 . 5.010 4.685 4.624 4.737 . 0 0 "[ . 1 . 2]" 1
178 1 9 SER H 1 29 ILE MD 5.110 . 5.110 3.621 3.565 3.683 . 0 0 "[ . 1 . 2]" 1
179 1 9 SER H 1 29 ILE MG 4.640 . 4.640 4.129 4.087 4.184 . 0 0 "[ . 1 . 2]" 1
180 1 9 SER HA 1 10 CYS H 2.840 . 2.840 2.152 2.143 2.171 . 0 0 "[ . 1 . 2]" 1
181 1 9 SER HA 1 10 CYS HA 4.530 . 4.530 4.376 4.373 4.378 . 0 0 "[ . 1 . 2]" 1
182 1 9 SER HA 1 11 GLU H 4.020 . 4.020 3.857 3.773 4.002 . 0 0 "[ . 1 . 2]" 1
183 1 9 SER HA 1 27 GLU QB 5.340 . 5.340 4.396 4.314 4.425 . 0 0 "[ . 1 . 2]" 1
184 1 9 SER HA 1 27 GLU QG 4.420 . 4.420 3.803 3.690 3.897 . 0 0 "[ . 1 . 2]" 1
185 1 9 SER HA 1 28 PRO HG2 5.030 . 5.030 4.934 4.900 4.957 . 0 0 "[ . 1 . 2]" 1
186 1 9 SER HA 1 29 ILE H 5.170 . 5.170 4.760 4.716 4.809 . 0 0 "[ . 1 . 2]" 1
187 1 9 SER HA 1 29 ILE HA 3.010 . 3.010 2.391 2.342 2.443 . 0 0 "[ . 1 . 2]" 1
188 1 9 SER HA 1 29 ILE MD 4.490 . 4.490 2.261 2.248 2.273 . 0 0 "[ . 1 . 2]" 1
189 1 9 SER HA 1 29 ILE QG 4.390 . 4.390 4.286 4.261 4.314 . 0 0 "[ . 1 . 2]" 1
190 1 9 SER HA 1 29 ILE MG 3.820 . 3.820 3.429 3.398 3.454 . 0 0 "[ . 1 . 2]" 1
191 1 9 SER HA 1 30 CYS H 4.430 . 4.430 3.989 3.936 4.021 . 0 0 "[ . 1 . 2]" 1
192 1 9 SER HB2 1 10 CYS H 3.540 . 3.540 3.177 3.084 3.275 . 0 0 "[ . 1 . 2]" 1
193 1 9 SER HB2 1 10 CYS HA 5.500 . 5.500 4.728 4.683 4.792 . 0 0 "[ . 1 . 2]" 1
194 1 9 SER HB2 1 11 GLU H 4.050 . 4.050 2.704 2.629 2.887 . 0 0 "[ . 1 . 2]" 1
195 1 9 SER HB2 1 11 GLU QG 5.330 . 5.330 2.387 2.280 2.447 . 0 0 "[ . 1 . 2]" 1
196 1 9 SER HB2 1 27 GLU QB 3.350 . 3.350 2.774 2.689 2.838 . 0 0 "[ . 1 . 2]" 1
197 1 9 SER HB2 1 29 ILE MD 3.980 . 3.980 3.572 3.527 3.628 . 0 0 "[ . 1 . 2]" 1
198 1 9 SER HB2 1 29 ILE MG 5.500 . 5.500 5.496 5.462 5.515 0.015 16 0 "[ . 1 . 2]" 1
199 1 9 SER HB3 1 10 CYS H 4.570 . 4.570 4.108 4.068 4.158 . 0 0 "[ . 1 . 2]" 1
200 1 9 SER HB3 1 11 GLU H 5.010 . 5.010 4.369 4.306 4.516 . 0 0 "[ . 1 . 2]" 1
201 1 9 SER HB3 1 27 GLU HB2 5.130 . 5.130 3.783 3.712 3.826 . 0 0 "[ . 1 . 2]" 1
202 1 9 SER HB3 1 27 GLU QB 4.460 . 4.460 3.659 3.594 3.685 . 0 0 "[ . 1 . 2]" 1
203 1 9 SER HB3 1 27 GLU HB3 5.130 . 5.130 4.862 4.764 4.942 . 0 0 "[ . 1 . 2]" 1
204 1 9 SER HB3 1 27 GLU QG 4.350 . 4.350 2.272 2.203 2.319 . 0 0 "[ . 1 . 2]" 1
205 1 9 SER HB3 1 29 ILE HA 5.280 . 5.280 4.539 4.470 4.611 . 0 0 "[ . 1 . 2]" 1
206 1 9 SER HB3 1 29 ILE MD 5.080 . 5.080 2.824 2.766 2.895 . 0 0 "[ . 1 . 2]" 1
207 1 9 SER HB3 1 29 ILE QG 5.500 . 5.500 5.013 4.952 5.090 . 0 0 "[ . 1 . 2]" 1
208 1 9 SER HB3 1 29 ILE MG 5.120 . 5.120 4.716 4.663 4.763 . 0 0 "[ . 1 . 2]" 1
209 1 10 CYS H 1 11 GLU H 4.060 . 4.060 2.804 2.729 2.937 . 0 0 "[ . 1 . 2]" 1
210 1 10 CYS H 1 11 GLU HB3 4.330 . 4.330 4.352 4.343 4.380 0.050 7 0 "[ . 1 . 2]" 1
211 1 10 CYS H 1 11 GLU QG 5.460 . 5.460 4.285 4.191 4.351 . 0 0 "[ . 1 . 2]" 1
212 1 10 CYS H 1 28 PRO HB2 4.540 . 4.540 3.917 3.886 3.972 . 0 0 "[ . 1 . 2]" 1
213 1 10 CYS H 1 28 PRO HB3 5.500 . 5.500 5.424 5.382 5.481 . 0 0 "[ . 1 . 2]" 1
214 1 10 CYS H 1 28 PRO HD2 5.500 . 5.500 4.738 4.621 4.810 . 0 0 "[ . 1 . 2]" 1
215 1 10 CYS H 1 28 PRO HG2 3.860 . 3.860 3.436 3.349 3.493 . 0 0 "[ . 1 . 2]" 1
216 1 10 CYS H 1 29 ILE H 5.500 . 5.500 4.648 4.592 4.724 . 0 0 "[ . 1 . 2]" 1
217 1 10 CYS H 1 29 ILE HA 3.320 . 3.320 2.933 2.870 3.021 . 0 0 "[ . 1 . 2]" 1
218 1 10 CYS H 1 29 ILE MD 3.630 . 3.630 3.663 3.658 3.673 0.043 7 0 "[ . 1 . 2]" 1
219 1 10 CYS H 1 29 ILE QG 5.320 . 5.320 5.315 5.299 5.333 0.013 2 0 "[ . 1 . 2]" 1
220 1 10 CYS H 1 29 ILE MG 4.770 . 4.770 4.595 4.556 4.686 . 0 0 "[ . 1 . 2]" 1
221 1 10 CYS H 1 30 CYS H 4.270 . 4.270 4.181 4.104 4.278 0.008 2 0 "[ . 1 . 2]" 1
222 1 10 CYS HA 1 11 GLU HB3 5.500 . 5.500 5.430 5.361 5.467 . 0 0 "[ . 1 . 2]" 1
223 1 10 CYS HA 1 11 GLU QG 5.500 . 5.500 4.578 4.562 4.638 . 0 0 "[ . 1 . 2]" 1
224 1 10 CYS HA 1 12 VAL H 4.330 . 4.330 3.218 3.188 3.279 . 0 0 "[ . 1 . 2]" 1
225 1 10 CYS HA 1 13 TYR H 4.180 . 4.180 3.038 2.991 3.113 . 0 0 "[ . 1 . 2]" 1
226 1 10 CYS HA 1 13 TYR HA 5.160 . 5.160 5.072 5.013 5.133 . 0 0 "[ . 1 . 2]" 1
227 1 10 CYS HA 1 13 TYR HB3 5.100 . 5.100 5.050 4.981 5.110 0.010 7 0 "[ . 1 . 2]" 1
228 1 10 CYS QB 1 14 PRO HA 5.340 . 5.340 2.839 2.772 2.892 . 0 0 "[ . 1 . 2]" 1
229 1 10 CYS QB 1 15 CYS H 5.340 . 5.340 4.106 4.054 4.196 . 0 0 "[ . 1 . 2]" 1
230 1 11 GLU H 1 11 GLU HB2 3.690 . 3.690 3.648 3.638 3.672 . 0 0 "[ . 1 . 2]" 1
231 1 11 GLU H 1 11 GLU HB3 3.080 . 3.080 2.732 2.693 2.795 . 0 0 "[ . 1 . 2]" 1
232 1 11 GLU H 1 11 GLU QG 4.250 . 4.250 2.116 2.065 2.283 . 0 0 "[ . 1 . 2]" 1
233 1 11 GLU HA 1 11 GLU HB2 2.550 . 2.550 2.445 2.435 2.460 . 0 0 "[ . 1 . 2]" 1
234 1 11 GLU HA 1 11 GLU QG 3.550 . 3.550 3.426 3.377 3.450 . 0 0 "[ . 1 . 2]" 1
235 1 11 GLU HB3 1 12 VAL MG1 5.380 . 5.380 5.357 5.321 5.383 0.003 3 0 "[ . 1 . 2]" 1
236 1 11 GLU HB3 1 27 GLU HA 4.130 . 4.130 3.996 3.923 4.132 0.002 15 0 "[ . 1 . 2]" 1
237 1 11 GLU HB3 1 28 PRO HD2 2.820 . 2.820 2.457 2.371 2.615 . 0 0 "[ . 1 . 2]" 1
238 1 11 GLU QG 1 12 VAL MG1 3.830 . 3.830 3.069 2.954 3.137 . 0 0 "[ . 1 . 2]" 1
239 1 11 GLU QG 1 12 VAL MG2 4.730 . 4.730 4.669 4.384 4.784 0.054 16 0 "[ . 1 . 2]" 1
240 1 11 GLU QG 1 27 GLU HA 5.230 . 5.230 4.655 4.434 5.242 0.012 2 0 "[ . 1 . 2]" 1
241 1 12 VAL H 1 12 VAL HB 3.370 . 3.370 3.096 3.075 3.148 . 0 0 "[ . 1 . 2]" 1
242 1 12 VAL H 1 12 VAL MG1 3.220 . 3.220 2.392 2.357 2.415 . 0 0 "[ . 1 . 2]" 1
243 1 12 VAL H 1 12 VAL MG2 3.970 . 3.970 3.931 3.920 3.942 . 0 0 "[ . 1 . 2]" 1
244 1 12 VAL H 1 13 TYR H 2.890 . 2.890 1.927 1.888 1.975 . 0 0 "[ . 1 . 2]" 1
245 1 12 VAL H 1 13 TYR HA 4.810 . 4.810 4.540 4.497 4.590 . 0 0 "[ . 1 . 2]" 1
246 1 12 VAL H 1 13 TYR HB2 4.420 . 4.420 4.386 4.348 4.421 0.001 5 0 "[ . 1 . 2]" 1
247 1 12 VAL H 1 13 TYR HB3 5.500 . 5.500 5.573 5.566 5.584 0.084 4 0 "[ . 1 . 2]" 1
248 1 12 VAL H 1 13 TYR QD 4.670 . 4.670 4.587 4.568 4.595 . 0 0 "[ . 1 . 2]" 1
249 1 12 VAL HA 1 12 VAL MG1 3.330 . 3.330 3.249 3.247 3.250 . 0 0 "[ . 1 . 2]" 1
250 1 12 VAL HA 1 12 VAL MG2 3.270 . 3.270 2.394 2.387 2.407 . 0 0 "[ . 1 . 2]" 1
251 1 12 VAL HA 1 13 TYR H 3.560 . 3.560 3.532 3.519 3.540 . 0 0 "[ . 1 . 2]" 1
252 1 12 VAL HB 1 13 TYR H 4.110 . 4.110 3.948 3.931 3.978 . 0 0 "[ . 1 . 2]" 1
253 1 12 VAL HB 1 13 TYR QD 4.210 . 4.210 4.224 4.219 4.236 0.026 7 0 "[ . 1 . 2]" 1
254 1 12 VAL HB 1 13 TYR QE 5.500 . 5.500 5.506 5.464 5.516 0.016 3 0 "[ . 1 . 2]" 1
255 1 12 VAL MG1 1 13 TYR H 3.810 . 3.810 1.910 1.839 1.988 . 0 0 "[ . 1 . 2]" 1
256 1 12 VAL MG1 1 13 TYR HA 4.080 . 4.080 3.861 3.836 3.887 . 0 0 "[ . 1 . 2]" 1
257 1 12 VAL MG1 1 13 TYR QD 4.610 . 4.610 2.092 2.060 2.119 . 0 0 "[ . 1 . 2]" 1
258 1 12 VAL MG1 1 13 TYR QE 5.180 . 5.180 3.697 3.633 3.768 . 0 0 "[ . 1 . 2]" 1
259 1 12 VAL MG2 1 13 TYR H 3.890 . 3.890 3.726 3.667 3.780 . 0 0 "[ . 1 . 2]" 1
260 1 12 VAL MG2 1 13 TYR HA 4.370 . 4.370 4.182 4.092 4.265 . 0 0 "[ . 1 . 2]" 1
261 1 12 VAL MG2 1 13 TYR QD 3.780 . 3.780 2.250 2.237 2.261 . 0 0 "[ . 1 . 2]" 1
262 1 12 VAL MG2 1 13 TYR QE 3.820 . 3.820 2.700 2.661 2.737 . 0 0 "[ . 1 . 2]" 1
263 1 13 TYR H 1 13 TYR HB2 3.360 . 3.360 2.565 2.481 2.645 . 0 0 "[ . 1 . 2]" 1
264 1 13 TYR H 1 13 TYR QD 4.220 . 4.220 3.316 3.262 3.374 . 0 0 "[ . 1 . 2]" 1
265 1 13 TYR HA 1 13 TYR HB3 2.970 . 2.970 2.627 2.619 2.635 . 0 0 "[ . 1 . 2]" 1
266 1 13 TYR HA 1 13 TYR QD 3.810 . 3.810 3.050 3.041 3.059 . 0 0 "[ . 1 . 2]" 1
267 1 13 TYR HA 1 13 TYR QE 4.660 . 4.660 4.559 4.551 4.562 . 0 0 "[ . 1 . 2]" 1
268 1 13 TYR HA 1 14 PRO HD2 3.090 . 3.090 2.446 2.426 2.467 . 0 0 "[ . 1 . 2]" 1
269 1 13 TYR HA 1 14 PRO HD3 2.650 . 2.650 2.372 2.342 2.393 . 0 0 "[ . 1 . 2]" 1
270 1 13 TYR HA 1 14 PRO QG 4.620 . 4.620 4.057 4.038 4.066 . 0 0 "[ . 1 . 2]" 1
271 1 13 TYR HB2 1 14 PRO HD2 3.790 . 3.790 3.845 3.831 3.858 0.068 17 0 "[ . 1 . 2]" 1
272 1 13 TYR HB3 1 14 PRO HD2 3.340 . 3.340 2.308 2.286 2.327 . 0 0 "[ . 1 . 2]" 1
273 1 13 TYR HB3 1 14 PRO QG 4.220 . 4.220 3.792 3.759 3.837 . 0 0 "[ . 1 . 2]" 1
274 1 13 TYR QD 1 14 PRO HD2 4.510 . 4.510 2.228 2.200 2.241 . 0 0 "[ . 1 . 2]" 1
275 1 13 TYR QD 1 14 PRO HD3 4.290 . 4.290 3.654 3.601 3.670 . 0 0 "[ . 1 . 2]" 1
276 1 13 TYR QD 1 14 PRO QG 3.660 . 3.660 3.700 3.691 3.709 0.049 17 0 "[ . 1 . 2]" 1
277 1 14 PRO HA 1 15 CYS H 3.000 . 3.000 2.656 2.633 2.695 . 0 0 "[ . 1 . 2]" 1
278 1 14 PRO HD2 1 15 CYS H 5.500 . 5.500 5.431 5.380 5.459 . 0 0 "[ . 1 . 2]" 1
279 1 14 PRO HD3 1 15 CYS H 5.500 . 5.500 5.450 5.400 5.484 . 0 0 "[ . 1 . 2]" 1
280 1 14 PRO QG 1 15 CYS H 3.910 . 3.910 3.835 3.743 3.893 . 0 0 "[ . 1 . 2]" 1
281 1 15 CYS H 1 15 CYS HB2 3.190 . 3.190 2.568 2.543 2.578 . 0 0 "[ . 1 . 2]" 1
282 1 15 CYS HA 1 16 CYS H 2.670 . 2.670 2.598 2.590 2.618 . 0 0 "[ . 1 . 2]" 1
283 1 15 CYS HA 1 16 CYS HA 5.500 . 5.500 4.412 4.404 4.430 . 0 0 "[ . 1 . 2]" 1
284 1 15 CYS HA 1 16 CYS HB2 4.870 . 4.870 4.798 4.780 4.812 . 0 0 "[ . 1 . 2]" 1
285 1 15 CYS HA 1 17 ASP H 5.290 . 5.290 4.888 4.877 4.931 . 0 0 "[ . 1 . 2]" 1
286 1 15 CYS HA 1 19 LEU H 4.890 . 4.890 4.598 4.574 4.608 . 0 0 "[ . 1 . 2]" 1
287 1 15 CYS HA 1 19 LEU MD1 3.580 . 3.580 3.311 3.202 3.341 . 0 0 "[ . 1 . 2]" 1
288 1 15 CYS HB2 1 16 CYS H 3.240 . 3.240 3.270 3.259 3.276 0.036 17 0 "[ . 1 . 2]" 1
289 1 15 CYS HB2 1 19 LEU H 3.910 . 3.910 2.592 2.546 2.658 . 0 0 "[ . 1 . 2]" 1
290 1 15 CYS HB2 1 19 LEU HB2 3.180 . 3.180 3.216 3.209 3.232 0.052 17 0 "[ . 1 . 2]" 1
291 1 15 CYS HB2 1 19 LEU MD1 3.730 . 3.730 3.754 3.733 3.763 0.033 16 0 "[ . 1 . 2]" 1
292 1 15 CYS HB3 1 16 CYS H 2.740 . 2.740 2.225 2.209 2.237 . 0 0 "[ . 1 . 2]" 1
293 1 15 CYS HB3 1 19 LEU H 3.910 . 3.910 2.226 2.206 2.242 . 0 0 "[ . 1 . 2]" 1
294 1 15 CYS HB3 1 19 LEU HA 5.500 . 5.500 4.329 4.316 4.338 . 0 0 "[ . 1 . 2]" 1
295 1 15 CYS HB3 1 19 LEU HB2 3.070 . 3.070 1.988 1.963 1.999 . 0 0 "[ . 1 . 2]" 1
296 1 15 CYS HB3 1 19 LEU HB3 3.850 . 3.850 3.721 3.698 3.732 . 0 0 "[ . 1 . 2]" 1
297 1 15 CYS HB3 1 19 LEU MD1 3.340 . 3.340 2.165 2.121 2.179 . 0 0 "[ . 1 . 2]" 1
298 1 15 CYS HB3 1 19 LEU MD2 4.320 . 4.320 4.361 4.351 4.364 0.044 4 0 "[ . 1 . 2]" 1
299 1 15 CYS HB3 1 19 LEU HG 3.880 . 3.880 3.374 3.343 3.410 . 0 0 "[ . 1 . 2]" 1
300 1 15 CYS HB3 1 30 CYS HA 4.810 . 4.810 4.820 4.815 4.835 0.025 17 0 "[ . 1 . 2]" 1
301 1 15 CYS HB3 1 31 GLY H 5.500 . 5.500 5.425 5.402 5.449 . 0 0 "[ . 1 . 2]" 1
302 1 16 CYS H 1 16 CYS HB2 3.430 . 3.430 2.660 2.639 2.680 . 0 0 "[ . 1 . 2]" 1
303 1 16 CYS H 1 17 ASP H 4.360 . 4.360 2.312 2.300 2.345 . 0 0 "[ . 1 . 2]" 1
304 1 16 CYS H 1 19 LEU H 5.500 . 5.500 3.424 3.381 3.441 . 0 0 "[ . 1 . 2]" 1
305 1 16 CYS H 1 19 LEU HB2 3.890 . 3.890 3.796 3.770 3.816 . 0 0 "[ . 1 . 2]" 1
306 1 16 CYS H 1 19 LEU HB3 5.500 . 5.500 5.352 5.316 5.366 . 0 0 "[ . 1 . 2]" 1
307 1 16 CYS H 1 19 LEU MD1 3.510 . 3.510 2.250 2.235 2.256 . 0 0 "[ . 1 . 2]" 1
308 1 16 CYS H 1 19 LEU MD2 5.020 . 5.020 4.927 4.869 4.947 . 0 0 "[ . 1 . 2]" 1
309 1 16 CYS HA 1 16 CYS HB3 2.970 . 2.970 2.427 2.418 2.435 . 0 0 "[ . 1 . 2]" 1
310 1 16 CYS HA 1 17 ASP HA 4.730 . 4.730 4.655 4.626 4.664 . 0 0 "[ . 1 . 2]" 1
311 1 16 CYS HA 1 19 LEU MD1 4.780 . 4.780 4.815 4.797 4.820 0.040 5 0 "[ . 1 . 2]" 1
312 1 16 CYS HB2 1 17 ASP H 3.740 . 3.740 2.323 2.296 2.347 . 0 0 "[ . 1 . 2]" 1
313 1 16 CYS HB2 1 17 ASP HA 4.620 . 4.620 4.344 4.310 4.371 . 0 0 "[ . 1 . 2]" 1
314 1 16 CYS HB2 1 19 LEU H 5.470 . 5.470 5.504 5.496 5.514 0.044 3 0 "[ . 1 . 2]" 1
315 1 16 CYS HB2 1 19 LEU MD1 4.830 . 4.830 3.512 3.482 3.537 . 0 0 "[ . 1 . 2]" 1
316 1 16 CYS HB3 1 17 ASP H 3.480 . 3.480 3.493 3.487 3.498 0.018 9 0 "[ . 1 . 2]" 1
317 1 17 ASP H 1 17 ASP QB 3.490 . 3.490 2.343 2.265 2.786 . 0 0 "[ . 1 . 2]" 1
318 1 17 ASP H 1 19 LEU H 5.500 . 5.500 3.564 3.538 3.604 . 0 0 "[ . 1 . 2]" 1
319 1 17 ASP H 1 19 LEU MD1 4.840 . 4.840 2.648 2.630 2.705 . 0 0 "[ . 1 . 2]" 1
320 1 17 ASP HA 1 19 LEU H 5.460 . 5.460 4.967 4.946 4.992 . 0 0 "[ . 1 . 2]" 1
321 1 17 ASP QB 1 19 LEU H 4.870 . 4.870 4.078 4.005 4.873 0.003 8 0 "[ . 1 . 2]" 1
322 1 17 ASP QB 1 19 LEU MD2 4.560 . 4.560 3.216 3.107 4.185 . 0 0 "[ . 1 . 2]" 1
323 1 17 ASP QB 1 19 LEU HG 5.090 . 5.090 2.828 2.739 4.000 . 0 0 "[ . 1 . 2]" 1
324 1 18 GLY HA2 1 19 LEU H 3.000 . 3.000 2.866 2.847 2.881 . 0 0 "[ . 1 . 2]" 1
325 1 19 LEU H 1 19 LEU HB2 3.130 . 3.130 2.521 2.510 2.534 . 0 0 "[ . 1 . 2]" 1
326 1 19 LEU H 1 19 LEU HB3 3.760 . 3.760 3.596 3.592 3.603 . 0 0 "[ . 1 . 2]" 1
327 1 19 LEU H 1 19 LEU MD1 3.550 . 3.550 2.957 2.936 2.980 . 0 0 "[ . 1 . 2]" 1
328 1 19 LEU H 1 19 LEU MD2 3.990 . 3.990 3.807 3.796 3.829 . 0 0 "[ . 1 . 2]" 1
329 1 19 LEU H 1 19 LEU HG 3.000 . 3.000 2.313 2.296 2.349 . 0 0 "[ . 1 . 2]" 1
330 1 19 LEU H 1 20 ILE H 4.560 . 4.560 4.580 4.566 4.585 0.025 8 0 "[ . 1 . 2]" 1
331 1 19 LEU H 1 20 ILE QG 5.500 . 5.500 5.378 5.305 5.548 0.048 16 0 "[ . 1 . 2]" 1
332 1 19 LEU H 1 30 CYS HB3 5.500 . 5.500 4.353 4.345 4.363 . 0 0 "[ . 1 . 2]" 1
333 1 19 LEU H 1 32 VAL MG1 5.500 . 5.500 3.808 3.740 3.838 . 0 0 "[ . 1 . 2]" 1
334 1 19 LEU H 1 32 VAL MG2 5.500 . 5.500 5.546 5.538 5.549 0.049 8 0 "[ . 1 . 2]" 1
335 1 19 LEU HA 1 19 LEU MD2 2.870 . 2.870 2.605 2.593 2.622 . 0 0 "[ . 1 . 2]" 1
336 1 19 LEU HA 1 19 LEU HG 3.610 . 3.610 2.834 2.828 2.845 . 0 0 "[ . 1 . 2]" 1
337 1 19 LEU HA 1 20 ILE H 2.970 . 2.970 2.430 2.409 2.486 . 0 0 "[ . 1 . 2]" 1
338 1 19 LEU HA 1 20 ILE QG 5.500 . 5.500 3.669 3.550 4.090 . 0 0 "[ . 1 . 2]" 1
339 1 19 LEU HA 1 20 ILE MG 5.500 . 5.500 5.511 5.503 5.514 0.014 18 0 "[ . 1 . 2]" 1
340 1 19 LEU HA 1 30 CYS HA 5.500 . 5.500 5.449 5.413 5.485 . 0 0 "[ . 1 . 2]" 1
341 1 19 LEU HA 1 31 GLY H 4.800 . 4.800 4.239 4.207 4.271 . 0 0 "[ . 1 . 2]" 1
342 1 19 LEU HA 1 31 GLY HA2 5.470 . 5.470 4.281 4.256 4.306 . 0 0 "[ . 1 . 2]" 1
343 1 19 LEU HA 1 32 VAL MG1 5.500 . 5.500 2.006 2.000 2.014 . 0 0 "[ . 1 . 2]" 1
344 1 19 LEU HA 1 32 VAL MG2 5.500 . 5.500 3.863 3.853 3.872 . 0 0 "[ . 1 . 2]" 1
345 1 19 LEU HB2 1 19 LEU MD1 3.350 . 3.350 2.155 2.116 2.166 . 0 0 "[ . 1 . 2]" 1
346 1 19 LEU HB2 1 19 LEU HG 2.980 . 2.980 2.707 2.699 2.712 . 0 0 "[ . 1 . 2]" 1
347 1 19 LEU HB2 1 20 ILE H 5.500 . 5.500 3.423 3.340 3.453 . 0 0 "[ . 1 . 2]" 1
348 1 19 LEU HB2 1 30 CYS HA 4.450 . 4.450 3.555 3.523 3.577 . 0 0 "[ . 1 . 2]" 1
349 1 19 LEU HB2 1 31 GLY H 4.350 . 4.350 3.598 3.568 3.647 . 0 0 "[ . 1 . 2]" 1
350 1 19 LEU HB3 1 19 LEU HG 3.000 . 3.000 2.964 2.961 2.969 . 0 0 "[ . 1 . 2]" 1
351 1 19 LEU HB3 1 20 ILE H 2.870 . 2.870 2.356 2.282 2.380 . 0 0 "[ . 1 . 2]" 1
352 1 19 LEU HB3 1 30 CYS HA 4.450 . 4.450 3.427 3.385 3.460 . 0 0 "[ . 1 . 2]" 1
353 1 19 LEU HB3 1 30 CYS HB2 4.600 . 4.600 4.340 4.287 4.404 . 0 0 "[ . 1 . 2]" 1
354 1 19 LEU HB3 1 30 CYS HB3 4.300 . 4.300 2.751 2.698 2.814 . 0 0 "[ . 1 . 2]" 1
355 1 19 LEU HB3 1 31 GLY H 2.860 . 2.860 2.465 2.452 2.491 . 0 0 "[ . 1 . 2]" 1
356 1 19 LEU MD1 1 20 ILE H 4.690 . 4.690 4.674 4.614 4.699 0.009 17 0 "[ . 1 . 2]" 1
357 1 19 LEU MD1 1 30 CYS H 4.470 . 4.470 4.506 4.499 4.513 0.043 2 0 "[ . 1 . 2]" 1
358 1 19 LEU MD1 1 30 CYS HA 4.330 . 4.330 4.173 4.157 4.202 . 0 0 "[ . 1 . 2]" 1
359 1 19 LEU MD1 1 30 CYS HB3 3.230 . 3.230 2.075 2.056 2.088 . 0 0 "[ . 1 . 2]" 1
360 1 19 LEU MD1 1 31 GLY H 4.850 . 4.850 4.281 4.222 4.336 . 0 0 "[ . 1 . 2]" 1
361 1 19 LEU MD1 1 32 VAL H 5.180 . 5.180 4.625 4.551 4.696 . 0 0 "[ . 1 . 2]" 1
362 1 19 LEU MD2 1 20 ILE H 3.780 . 3.780 3.467 3.440 3.496 . 0 0 "[ . 1 . 2]" 1
363 1 19 LEU MD2 1 22 TYR QD 5.500 . 5.500 5.515 5.511 5.518 0.018 15 0 "[ . 1 . 2]" 1
364 1 19 LEU MD2 1 30 CYS HA 5.180 . 5.180 4.718 4.675 4.768 . 0 0 "[ . 1 . 2]" 1
365 1 19 LEU MD2 1 30 CYS HB2 4.890 . 4.890 4.658 4.578 4.766 . 0 0 "[ . 1 . 2]" 1
366 1 19 LEU MD2 1 30 CYS HB3 4.030 . 4.030 3.602 3.536 3.687 . 0 0 "[ . 1 . 2]" 1
367 1 19 LEU MD2 1 31 GLY H 4.090 . 4.090 3.716 3.699 3.731 . 0 0 "[ . 1 . 2]" 1
368 1 19 LEU MD2 1 31 GLY HA2 3.220 . 3.220 2.022 2.016 2.030 . 0 0 "[ . 1 . 2]" 1
369 1 19 LEU MD2 1 32 VAL H 5.100 . 5.100 2.015 1.963 2.087 . 0 0 "[ . 1 . 2]" 1
370 1 19 LEU MD2 1 32 VAL HA 3.860 . 3.860 3.478 3.430 3.523 . 0 0 "[ . 1 . 2]" 1
371 1 19 LEU MD2 1 32 VAL MG1 4.710 . 4.710 2.129 2.105 2.143 . 0 0 "[ . 1 . 2]" 1
372 1 19 LEU MD2 1 32 VAL QG 3.910 . 3.910 1.866 1.837 1.883 . 0 0 "[ . 1 . 2]" 1
373 1 19 LEU MD2 1 32 VAL MG2 4.710 . 4.710 2.064 2.025 2.098 . 0 0 "[ . 1 . 2]" 1
374 1 19 LEU HG 1 20 ILE H 4.730 . 4.730 4.690 4.674 4.698 . 0 0 "[ . 1 . 2]" 1
375 1 20 ILE H 1 20 ILE MD 4.120 . 4.120 3.078 2.449 3.251 . 0 0 "[ . 1 . 2]" 1
376 1 20 ILE H 1 20 ILE QG 4.950 . 4.950 2.948 2.824 3.375 . 0 0 "[ . 1 . 2]" 1
377 1 20 ILE H 1 20 ILE MG 4.080 . 4.080 3.842 3.834 3.855 . 0 0 "[ . 1 . 2]" 1
378 1 20 ILE H 1 21 CYS H 4.520 . 4.520 4.487 4.459 4.501 . 0 0 "[ . 1 . 2]" 1
379 1 20 ILE H 1 22 TYR QD 5.040 . 5.040 4.390 4.301 4.434 . 0 0 "[ . 1 . 2]" 1
380 1 20 ILE H 1 22 TYR QE 4.560 . 4.560 3.764 3.696 3.806 . 0 0 "[ . 1 . 2]" 1
381 1 20 ILE H 1 30 CYS HA 4.480 . 4.480 3.930 3.739 4.020 . 0 0 "[ . 1 . 2]" 1
382 1 20 ILE H 1 30 CYS HB3 5.120 . 5.120 4.589 4.411 4.678 . 0 0 "[ . 1 . 2]" 1
383 1 20 ILE H 1 31 GLY H 3.640 . 3.640 2.385 2.226 2.464 . 0 0 "[ . 1 . 2]" 1
384 1 20 ILE H 1 32 VAL HA 4.330 . 4.330 3.071 2.994 3.269 . 0 0 "[ . 1 . 2]" 1
385 1 20 ILE HA 1 20 ILE MD 3.980 . 3.980 3.774 3.409 3.867 . 0 0 "[ . 1 . 2]" 1
386 1 20 ILE HA 1 20 ILE QG 3.750 . 3.750 2.403 2.290 2.432 . 0 0 "[ . 1 . 2]" 1
387 1 20 ILE HA 1 20 ILE MG 3.070 . 3.070 2.405 2.394 2.425 . 0 0 "[ . 1 . 2]" 1
388 1 20 ILE HA 1 21 CYS H 2.820 . 2.820 2.217 2.209 2.224 . 0 0 "[ . 1 . 2]" 1
389 1 20 ILE HA 1 21 CYS HA 4.510 . 4.510 4.367 4.359 4.371 . 0 0 "[ . 1 . 2]" 1
390 1 20 ILE HA 1 21 CYS HB2 4.530 . 4.530 4.407 4.400 4.416 . 0 0 "[ . 1 . 2]" 1
391 1 20 ILE HA 1 30 CYS HA 5.220 . 5.220 4.589 4.463 4.648 . 0 0 "[ . 1 . 2]" 1
392 1 20 ILE HA 1 31 GLY H 5.200 . 5.200 4.206 4.156 4.235 . 0 0 "[ . 1 . 2]" 1
393 1 20 ILE HB 1 20 ILE MD 3.020 . 3.020 2.237 2.208 2.245 . 0 0 "[ . 1 . 2]" 1
394 1 20 ILE HB 1 21 CYS H 4.040 . 4.040 3.980 3.973 3.991 . 0 0 "[ . 1 . 2]" 1
395 1 20 ILE HB 1 22 TYR QD 3.940 . 3.940 3.948 3.943 3.953 0.013 2 0 "[ . 1 . 2]" 1
396 1 20 ILE HB 1 22 TYR QE 3.270 . 3.270 3.174 3.157 3.191 . 0 0 "[ . 1 . 2]" 1
397 1 20 ILE HB 1 31 GLY HA2 5.500 . 5.500 5.529 5.524 5.540 0.040 1 0 "[ . 1 . 2]" 1
398 1 20 ILE HB 1 32 VAL HA 4.330 . 4.330 3.731 3.663 3.834 . 0 0 "[ . 1 . 2]" 1
399 1 20 ILE MD 1 20 ILE MG 3.050 . 3.050 2.586 2.456 3.073 0.023 1 0 "[ . 1 . 2]" 1
400 1 20 ILE MD 1 21 CYS H 5.320 . 5.320 5.071 4.974 5.107 . 0 0 "[ . 1 . 2]" 1
401 1 20 ILE MD 1 22 TYR QD 5.500 . 5.500 5.066 5.044 5.079 . 0 0 "[ . 1 . 2]" 1
402 1 20 ILE MD 1 22 TYR QE 4.120 . 4.120 3.774 3.723 3.803 . 0 0 "[ . 1 . 2]" 1
403 1 20 ILE MD 1 31 GLY H 5.340 . 5.340 4.782 4.278 4.928 . 0 0 "[ . 1 . 2]" 1
404 1 20 ILE MD 1 32 VAL HA 5.330 . 5.330 2.287 2.109 2.403 . 0 0 "[ . 1 . 2]" 1
405 1 20 ILE QG 1 20 ILE MG 3.160 . 3.160 2.109 1.999 2.140 . 0 0 "[ . 1 . 2]" 1
406 1 20 ILE QG 1 21 CYS H 4.560 . 4.560 3.993 3.960 4.010 . 0 0 "[ . 1 . 2]" 1
407 1 20 ILE QG 1 22 TYR QE 5.500 . 5.500 4.997 4.965 5.027 . 0 0 "[ . 1 . 2]" 1
408 1 20 ILE QG 1 31 GLY H 5.500 . 5.500 4.924 4.862 5.090 . 0 0 "[ . 1 . 2]" 1
409 1 20 ILE MG 1 21 CYS H 3.200 . 3.200 2.219 2.211 2.236 . 0 0 "[ . 1 . 2]" 1
410 1 20 ILE MG 1 21 CYS HA 4.240 . 4.240 3.959 3.945 3.973 . 0 0 "[ . 1 . 2]" 1
411 1 20 ILE MG 1 21 CYS HB2 3.600 . 3.600 3.680 3.671 3.686 0.086 20 0 "[ . 1 . 2]" 1
412 1 20 ILE MG 1 21 CYS HB3 4.730 . 4.730 4.643 4.633 4.656 . 0 0 "[ . 1 . 2]" 1
413 1 20 ILE MG 1 22 TYR H 4.210 . 4.210 4.007 3.993 4.015 . 0 0 "[ . 1 . 2]" 1
414 1 20 ILE MG 1 22 TYR HA 3.850 . 3.850 3.565 3.555 3.578 . 0 0 "[ . 1 . 2]" 1
415 1 20 ILE MG 1 22 TYR HB2 5.080 . 5.080 5.107 5.103 5.110 0.030 5 0 "[ . 1 . 2]" 1
416 1 20 ILE MG 1 22 TYR QD 3.910 . 3.910 3.922 3.918 3.928 0.018 7 0 "[ . 1 . 2]" 1
417 1 20 ILE MG 1 22 TYR QE 4.200 . 4.200 4.027 4.012 4.041 . 0 0 "[ . 1 . 2]" 1
418 1 20 ILE MG 1 23 PRO HD2 5.180 . 5.180 5.198 5.189 5.208 0.028 3 0 "[ . 1 . 2]" 1
419 1 20 ILE MG 1 23 PRO HD3 4.780 . 4.780 4.674 4.660 4.703 . 0 0 "[ . 1 . 2]" 1
420 1 20 ILE MG 1 30 CYS HA 5.270 . 5.270 5.047 4.983 5.072 . 0 0 "[ . 1 . 2]" 1
421 1 20 ILE MG 1 31 GLY H 4.720 . 4.720 4.398 4.371 4.409 . 0 0 "[ . 1 . 2]" 1
422 1 21 CYS H 1 21 CYS HB2 3.560 . 3.560 2.253 2.247 2.263 . 0 0 "[ . 1 . 2]" 1
423 1 21 CYS H 1 21 CYS HB3 4.000 . 4.000 3.543 3.538 3.547 . 0 0 "[ . 1 . 2]" 1
424 1 21 CYS H 1 22 TYR H 4.400 . 4.400 4.263 4.245 4.274 . 0 0 "[ . 1 . 2]" 1
425 1 21 CYS H 1 30 CYS HA 5.100 . 5.100 4.402 4.313 4.448 . 0 0 "[ . 1 . 2]" 1
426 1 21 CYS H 1 31 GLY H 5.500 . 5.500 4.683 4.670 4.695 . 0 0 "[ . 1 . 2]" 1
427 1 21 CYS HA 1 22 TYR H 2.940 . 2.940 2.144 2.141 2.148 . 0 0 "[ . 1 . 2]" 1
428 1 21 CYS HA 1 22 TYR HA 4.770 . 4.770 4.423 4.421 4.428 . 0 0 "[ . 1 . 2]" 1
429 1 21 CYS HA 1 22 TYR HB2 4.500 . 4.500 4.333 4.326 4.339 . 0 0 "[ . 1 . 2]" 1
430 1 21 CYS HA 1 22 TYR QD 4.470 . 4.470 4.086 4.079 4.103 . 0 0 "[ . 1 . 2]" 1
431 1 21 CYS HA 1 24 THR MG 5.500 . 5.500 5.565 5.561 5.568 0.068 7 0 "[ . 1 . 2]" 1
432 1 21 CYS HA 1 29 ILE H 5.030 . 5.030 4.002 3.935 4.041 . 0 0 "[ . 1 . 2]" 1
433 1 21 CYS HA 1 29 ILE HA 5.410 . 5.410 4.750 4.663 4.794 . 0 0 "[ . 1 . 2]" 1
434 1 21 CYS HA 1 29 ILE MG 5.500 . 5.500 5.349 5.310 5.372 . 0 0 "[ . 1 . 2]" 1
435 1 21 CYS HA 1 30 CYS HA 3.260 . 3.260 2.734 2.720 2.745 . 0 0 "[ . 1 . 2]" 1
436 1 21 CYS HA 1 30 CYS HB3 5.240 . 5.240 5.253 5.242 5.261 0.021 5 0 "[ . 1 . 2]" 1
437 1 21 CYS HA 1 31 GLY H 4.060 . 4.060 3.838 3.818 3.895 . 0 0 "[ . 1 . 2]" 1
438 1 21 CYS HB2 1 30 CYS HA 5.370 . 5.370 5.352 5.330 5.374 0.004 5 0 "[ . 1 . 2]" 1
439 1 22 TYR H 1 22 TYR HB2 3.200 . 3.200 2.221 2.215 2.224 . 0 0 "[ . 1 . 2]" 1
440 1 22 TYR H 1 22 TYR HB3 3.550 . 3.550 3.515 3.510 3.517 . 0 0 "[ . 1 . 2]" 1
441 1 22 TYR H 1 22 TYR QD 3.420 . 3.420 2.658 2.640 2.670 . 0 0 "[ . 1 . 2]" 1
442 1 22 TYR H 1 22 TYR QE 5.110 . 5.110 4.803 4.781 4.822 . 0 0 "[ . 1 . 2]" 1
443 1 22 TYR H 1 23 PRO HD2 4.830 . 4.830 4.913 4.905 4.917 0.087 5 0 "[ . 1 . 2]" 1
444 1 22 TYR H 1 24 THR MG 4.500 . 4.500 3.916 3.909 3.928 . 0 0 "[ . 1 . 2]" 1
445 1 22 TYR H 1 28 PRO HA 5.040 . 5.040 4.632 4.610 4.642 . 0 0 "[ . 1 . 2]" 1
446 1 22 TYR H 1 28 PRO HB2 4.930 . 4.930 3.773 3.748 3.799 . 0 0 "[ . 1 . 2]" 1
447 1 22 TYR H 1 29 ILE H 3.870 . 3.870 2.952 2.928 2.969 . 0 0 "[ . 1 . 2]" 1
448 1 22 TYR H 1 29 ILE HA 5.430 . 5.430 4.742 4.718 4.755 . 0 0 "[ . 1 . 2]" 1
449 1 22 TYR H 1 29 ILE HB 4.310 . 4.310 4.176 4.159 4.191 . 0 0 "[ . 1 . 2]" 1
450 1 22 TYR H 1 29 ILE QG 5.070 . 5.070 5.073 5.058 5.081 0.011 20 0 "[ . 1 . 2]" 1
451 1 22 TYR H 1 30 CYS HA 3.600 . 3.600 3.625 3.618 3.635 0.035 17 0 "[ . 1 . 2]" 1
452 1 22 TYR H 1 31 GLY H 4.170 . 4.170 3.908 3.893 3.923 . 0 0 "[ . 1 . 2]" 1
453 1 22 TYR H 1 31 GLY HA3 5.500 . 5.500 5.293 5.268 5.307 . 0 0 "[ . 1 . 2]" 1
454 1 22 TYR HA 1 22 TYR QD 3.530 . 3.530 2.911 2.902 2.919 . 0 0 "[ . 1 . 2]" 1
455 1 22 TYR HA 1 23 PRO HB3 4.910 . 4.910 4.897 4.895 4.902 . 0 0 "[ . 1 . 2]" 1
456 1 22 TYR HA 1 23 PRO HD2 2.910 . 2.910 2.307 2.301 2.313 . 0 0 "[ . 1 . 2]" 1
457 1 22 TYR HA 1 23 PRO HD3 3.020 . 3.020 2.308 2.304 2.315 . 0 0 "[ . 1 . 2]" 1
458 1 22 TYR HA 1 23 PRO HG2 4.480 . 4.480 4.465 4.461 4.469 . 0 0 "[ . 1 . 2]" 1
459 1 22 TYR HA 1 23 PRO HG3 4.520 . 4.520 4.447 4.445 4.453 . 0 0 "[ . 1 . 2]" 1
460 1 22 TYR HA 1 24 THR MG 4.650 . 4.650 4.060 4.055 4.070 . 0 0 "[ . 1 . 2]" 1
461 1 22 TYR HB2 1 23 PRO HD2 4.180 . 4.180 4.146 4.131 4.159 . 0 0 "[ . 1 . 2]" 1
462 1 22 TYR HB2 1 23 PRO HD3 5.220 . 5.220 4.987 4.980 4.992 . 0 0 "[ . 1 . 2]" 1
463 1 22 TYR HB2 1 24 THR H 4.530 . 4.530 4.241 4.218 4.262 . 0 0 "[ . 1 . 2]" 1
464 1 22 TYR HB2 1 24 THR MG 3.480 . 3.480 2.469 2.452 2.480 . 0 0 "[ . 1 . 2]" 1
465 1 22 TYR HB2 1 28 PRO HA 4.650 . 4.650 4.667 4.660 4.672 0.022 5 0 "[ . 1 . 2]" 1
466 1 22 TYR HB2 1 29 ILE H 3.030 . 3.030 3.050 3.045 3.055 0.025 15 0 "[ . 1 . 2]" 1
467 1 22 TYR HB2 1 29 ILE QG 4.480 . 4.480 4.279 4.259 4.308 . 0 0 "[ . 1 . 2]" 1
468 1 22 TYR HB2 1 29 ILE MG 4.840 . 4.840 4.730 4.694 4.759 . 0 0 "[ . 1 . 2]" 1
469 1 22 TYR HB2 1 30 CYS HA 5.100 . 5.100 5.090 5.074 5.108 0.008 20 0 "[ . 1 . 2]" 1
470 1 22 TYR HB2 1 31 GLY H 5.170 . 5.170 4.825 4.817 4.833 . 0 0 "[ . 1 . 2]" 1
471 1 22 TYR HB3 1 23 PRO HD2 4.000 . 4.000 2.713 2.688 2.733 . 0 0 "[ . 1 . 2]" 1
472 1 22 TYR HB3 1 23 PRO HD3 4.160 . 4.160 3.993 3.978 4.006 . 0 0 "[ . 1 . 2]" 1
473 1 22 TYR HB3 1 23 PRO HG2 4.620 . 4.620 4.375 4.346 4.392 . 0 0 "[ . 1 . 2]" 1
474 1 22 TYR HB3 1 24 THR H 4.200 . 4.200 3.865 3.860 3.873 . 0 0 "[ . 1 . 2]" 1
475 1 22 TYR HB3 1 24 THR MG 3.320 . 3.320 2.214 2.209 2.224 . 0 0 "[ . 1 . 2]" 1
476 1 22 TYR HB3 1 28 PRO HA 5.120 . 5.120 5.065 5.051 5.088 . 0 0 "[ . 1 . 2]" 1
477 1 22 TYR HB3 1 29 ILE H 4.750 . 4.750 4.160 4.140 4.184 . 0 0 "[ . 1 . 2]" 1
478 1 22 TYR HB3 1 29 ILE QG 5.230 . 5.230 5.071 5.030 5.136 . 0 0 "[ . 1 . 2]" 1
479 1 22 TYR QD 1 23 PRO HD2 3.880 . 3.880 2.424 2.416 2.429 . 0 0 "[ . 1 . 2]" 1
480 1 22 TYR QD 1 23 PRO HD3 3.990 . 3.990 3.824 3.810 3.838 . 0 0 "[ . 1 . 2]" 1
481 1 22 TYR QD 1 24 THR H 5.500 . 5.500 5.536 5.531 5.541 0.041 17 0 "[ . 1 . 2]" 1
482 1 22 TYR QD 1 24 THR MG 3.930 . 3.930 3.815 3.808 3.829 . 0 0 "[ . 1 . 2]" 1
483 1 22 TYR QD 1 29 ILE H 5.500 . 5.500 4.633 4.603 4.652 . 0 0 "[ . 1 . 2]" 1
484 1 22 TYR QD 1 29 ILE HB 5.500 . 5.500 4.270 4.251 4.284 . 0 0 "[ . 1 . 2]" 1
485 1 22 TYR QD 1 29 ILE QG 5.500 . 5.500 5.518 5.510 5.525 0.025 1 0 "[ . 1 . 2]" 1
486 1 22 TYR QD 1 29 ILE MG 5.500 . 5.500 4.781 4.745 4.804 . 0 0 "[ . 1 . 2]" 1
487 1 22 TYR QD 1 30 CYS HA 4.380 . 4.380 3.973 3.940 3.991 . 0 0 "[ . 1 . 2]" 1
488 1 22 TYR QD 1 31 GLY H 3.690 . 3.690 2.818 2.788 2.831 . 0 0 "[ . 1 . 2]" 1
489 1 22 TYR QD 1 31 GLY HA2 4.680 . 4.680 4.458 4.444 4.468 . 0 0 "[ . 1 . 2]" 1
490 1 22 TYR QD 1 31 GLY HA3 4.050 . 4.050 3.011 2.987 3.026 . 0 0 "[ . 1 . 2]" 1
491 1 22 TYR QE 1 23 PRO HD2 4.670 . 4.670 4.536 4.526 4.549 . 0 0 "[ . 1 . 2]" 1
492 1 22 TYR QE 1 23 PRO HD3 5.500 . 5.500 5.520 5.517 5.522 0.022 1 0 "[ . 1 . 2]" 1
493 1 22 TYR QE 1 24 THR MG 5.500 . 5.500 5.395 5.385 5.408 . 0 0 "[ . 1 . 2]" 1
494 1 22 TYR QE 1 30 CYS HA 5.500 . 5.500 5.336 5.267 5.372 . 0 0 "[ . 1 . 2]" 1
495 1 22 TYR QE 1 31 GLY H 4.100 . 4.100 3.392 3.307 3.436 . 0 0 "[ . 1 . 2]" 1
496 1 22 TYR QE 1 31 GLY HA2 4.390 . 4.390 3.939 3.910 3.962 . 0 0 "[ . 1 . 2]" 1
497 1 22 TYR QE 1 31 GLY HA3 3.420 . 3.420 2.637 2.605 2.667 . 0 0 "[ . 1 . 2]" 1
498 1 22 TYR QE 1 32 VAL H 4.420 . 4.420 3.995 3.976 4.036 . 0 0 "[ . 1 . 2]" 1
499 1 22 TYR QE 1 32 VAL HA 4.030 . 4.030 3.865 3.797 3.940 . 0 0 "[ . 1 . 2]" 1
500 1 22 TYR QE 1 32 VAL MG1 5.500 . 5.500 5.215 5.150 5.271 . 0 0 "[ . 1 . 2]" 1
501 1 22 TYR QE 1 32 VAL MG2 5.500 . 5.500 5.075 5.058 5.103 . 0 0 "[ . 1 . 2]" 1
502 1 23 PRO HA 1 24 THR H 3.130 . 3.130 2.527 2.518 2.537 . 0 0 "[ . 1 . 2]" 1
503 1 23 PRO HA 1 24 THR HA 5.500 . 5.500 4.548 4.544 4.550 . 0 0 "[ . 1 . 2]" 1
504 1 23 PRO HA 1 24 THR MG 4.320 . 4.320 4.257 4.249 4.269 . 0 0 "[ . 1 . 2]" 1
505 1 23 PRO HA 1 28 PRO HA 3.960 . 3.960 3.942 3.926 3.955 . 0 0 "[ . 1 . 2]" 1
506 1 23 PRO HA 1 28 PRO HB3 3.000 . 3.000 3.030 3.026 3.032 0.032 17 0 "[ . 1 . 2]" 1
507 1 23 PRO HA 1 28 PRO HG3 5.500 . 5.500 4.747 4.740 4.756 . 0 0 "[ . 1 . 2]" 1
508 1 23 PRO HA 1 29 ILE H 5.500 . 5.500 5.205 5.195 5.220 . 0 0 "[ . 1 . 2]" 1
509 1 23 PRO HB3 1 24 THR H 4.650 . 4.650 4.620 4.616 4.625 . 0 0 "[ . 1 . 2]" 1
510 1 23 PRO HD2 1 24 THR MG 4.490 . 4.490 3.994 3.986 3.998 . 0 0 "[ . 1 . 2]" 1
511 1 23 PRO HD3 1 24 THR H 5.290 . 5.290 4.920 4.913 4.924 . 0 0 "[ . 1 . 2]" 1
512 1 23 PRO HD3 1 24 THR MG 4.900 . 4.900 4.964 4.962 4.968 0.068 1 0 "[ . 1 . 2]" 1
513 1 24 THR H 1 24 THR HB 3.770 . 3.770 3.697 3.695 3.700 . 0 0 "[ . 1 . 2]" 1
514 1 24 THR H 1 24 THR MG 3.230 . 3.230 2.380 2.376 2.394 . 0 0 "[ . 1 . 2]" 1
515 1 24 THR H 1 25 PHE H 4.680 . 4.680 4.574 4.572 4.576 . 0 0 "[ . 1 . 2]" 1
516 1 24 THR H 1 25 PHE QD 5.280 . 5.280 5.305 5.301 5.308 0.028 12 0 "[ . 1 . 2]" 1
517 1 24 THR H 1 28 PRO HA 3.030 . 3.030 2.124 2.116 2.131 . 0 0 "[ . 1 . 2]" 1
518 1 24 THR H 1 28 PRO HB2 5.500 . 5.500 4.090 4.079 4.101 . 0 0 "[ . 1 . 2]" 1
519 1 24 THR H 1 28 PRO HB3 3.530 . 3.530 2.962 2.955 2.970 . 0 0 "[ . 1 . 2]" 1
520 1 24 THR H 1 28 PRO HG2 5.500 . 5.500 5.550 5.546 5.554 0.054 2 0 "[ . 1 . 2]" 1
521 1 24 THR H 1 29 ILE H 3.580 . 3.580 3.352 3.342 3.363 . 0 0 "[ . 1 . 2]" 1
522 1 24 THR H 1 29 ILE HB 5.500 . 5.500 5.513 5.501 5.523 0.023 16 0 "[ . 1 . 2]" 1
523 1 24 THR H 1 29 ILE MD 5.500 . 5.500 5.138 5.115 5.170 . 0 0 "[ . 1 . 2]" 1
524 1 24 THR H 1 29 ILE QG 4.760 . 4.760 4.293 4.284 4.304 . 0 0 "[ . 1 . 2]" 1
525 1 24 THR HA 1 24 THR MG 2.700 . 2.700 2.415 2.408 2.419 . 0 0 "[ . 1 . 2]" 1
526 1 24 THR HA 1 25 PHE H 2.610 . 2.610 2.294 2.281 2.303 . 0 0 "[ . 1 . 2]" 1
527 1 24 THR HA 1 25 PHE HA 4.710 . 4.710 4.363 4.356 4.368 . 0 0 "[ . 1 . 2]" 1
528 1 24 THR HA 1 25 PHE HB2 4.220 . 4.220 4.164 4.162 4.167 . 0 0 "[ . 1 . 2]" 1
529 1 24 THR HA 1 28 PRO HA 4.700 . 4.700 4.448 4.446 4.452 . 0 0 "[ . 1 . 2]" 1
530 1 24 THR HA 1 29 ILE H 5.500 . 5.500 5.465 5.448 5.480 . 0 0 "[ . 1 . 2]" 1
531 1 24 THR HB 1 25 PHE H 4.200 . 4.200 2.703 2.682 2.732 . 0 0 "[ . 1 . 2]" 1
532 1 24 THR HB 1 25 PHE HA 5.500 . 5.500 4.710 4.699 4.722 . 0 0 "[ . 1 . 2]" 1
533 1 24 THR HB 1 25 PHE QD 5.500 . 5.500 5.499 5.483 5.509 0.009 1 0 "[ . 1 . 2]" 1
534 1 24 THR HB 1 29 ILE H 5.080 . 5.080 4.634 4.613 4.655 . 0 0 "[ . 1 . 2]" 1
535 1 24 THR HB 1 29 ILE HB 5.500 . 5.500 4.983 4.967 4.990 . 0 0 "[ . 1 . 2]" 1
536 1 24 THR HB 1 29 ILE MD 5.500 . 5.500 4.068 4.038 4.123 . 0 0 "[ . 1 . 2]" 1
537 1 24 THR HB 1 29 ILE QG 4.340 . 4.340 3.072 3.057 3.101 . 0 0 "[ . 1 . 2]" 1
538 1 24 THR MG 1 25 PHE H 4.230 . 4.230 3.871 3.863 3.881 . 0 0 "[ . 1 . 2]" 1
539 1 24 THR MG 1 25 PHE HA 5.500 . 5.500 5.557 5.553 5.561 0.061 7 0 "[ . 1 . 2]" 1
540 1 24 THR MG 1 28 PRO HA 3.700 . 3.700 3.225 3.203 3.257 . 0 0 "[ . 1 . 2]" 1
541 1 24 THR MG 1 29 ILE H 3.900 . 3.900 2.815 2.788 2.856 . 0 0 "[ . 1 . 2]" 1
542 1 24 THR MG 1 29 ILE MD 4.250 . 4.250 3.871 3.837 3.925 . 0 0 "[ . 1 . 2]" 1
543 1 24 THR MG 1 29 ILE QG 3.670 . 3.670 2.433 2.396 2.491 . 0 0 "[ . 1 . 2]" 1
544 1 24 THR MG 1 29 ILE MG 4.570 . 4.570 4.107 4.086 4.138 . 0 0 "[ . 1 . 2]" 1
545 1 25 PHE H 1 25 PHE HB2 3.270 . 3.270 2.314 2.305 2.324 . 0 0 "[ . 1 . 2]" 1
546 1 25 PHE H 1 25 PHE HB3 3.440 . 3.440 3.453 3.452 3.455 0.015 7 0 "[ . 1 . 2]" 1
547 1 25 PHE H 1 25 PHE QD 4.050 . 4.050 3.303 3.276 3.329 . 0 0 "[ . 1 . 2]" 1
548 1 25 PHE HA 1 25 PHE QD 3.210 . 3.210 3.006 3.004 3.008 . 0 0 "[ . 1 . 2]" 1
549 1 25 PHE HA 1 25 PHE QE 5.090 . 5.090 4.459 4.457 4.461 . 0 0 "[ . 1 . 2]" 1
550 1 25 PHE HA 1 26 PRO HA 2.870 . 2.870 2.231 2.219 2.242 . 0 0 "[ . 1 . 2]" 1
551 1 25 PHE HA 1 26 PRO HB2 4.450 . 4.450 4.496 4.493 4.500 0.050 4 0 "[ . 1 . 2]" 1
552 1 25 PHE HA 1 26 PRO HB3 4.610 . 4.610 4.418 4.409 4.426 . 0 0 "[ . 1 . 2]" 1
553 1 25 PHE HA 1 26 PRO QG 5.500 . 5.500 4.684 4.677 4.687 . 0 0 "[ . 1 . 2]" 1
554 1 25 PHE HB2 1 26 PRO HA 3.970 . 3.970 4.004 4.000 4.010 0.040 14 0 "[ . 1 . 2]" 1
555 1 25 PHE HB3 1 26 PRO HA 3.120 . 3.120 2.742 2.736 2.751 . 0 0 "[ . 1 . 2]" 1
556 1 25 PHE HB3 1 26 PRO HB2 5.500 . 5.500 5.335 5.323 5.351 . 0 0 "[ . 1 . 2]" 1
557 1 25 PHE HB3 1 26 PRO HB3 5.390 . 5.390 4.404 4.380 4.435 . 0 0 "[ . 1 . 2]" 1
558 1 25 PHE QD 1 26 PRO HA 2.680 . 2.680 2.303 2.297 2.308 . 0 0 "[ . 1 . 2]" 1
559 1 25 PHE QE 1 26 PRO HA 5.500 . 5.500 4.012 4.004 4.019 . 0 0 "[ . 1 . 2]" 1
560 1 25 PHE QE 1 26 PRO HB3 4.870 . 4.870 4.888 4.886 4.891 0.021 2 0 "[ . 1 . 2]" 1
561 1 26 PRO QG 1 27 GLU H 3.790 . 3.790 3.475 3.456 3.498 . 0 0 "[ . 1 . 2]" 1
562 1 26 PRO QG 1 27 GLU HA 5.500 . 5.500 5.540 5.533 5.552 0.052 10 0 "[ . 1 . 2]" 1
563 1 27 GLU H 1 27 GLU QB 3.620 . 3.620 3.018 2.970 3.044 . 0 0 "[ . 1 . 2]" 1
564 1 27 GLU H 1 27 GLU QG 3.540 . 3.540 2.167 1.903 2.604 . 0 0 "[ . 1 . 2]" 1
565 1 27 GLU HA 1 27 GLU QG 3.460 . 3.460 3.411 3.356 3.495 0.035 16 0 "[ . 1 . 2]" 1
566 1 27 GLU HA 1 28 PRO HD2 2.550 . 2.550 2.339 2.331 2.354 . 0 0 "[ . 1 . 2]" 1
567 1 28 PRO HA 1 29 ILE H 2.940 . 2.940 2.283 2.278 2.290 . 0 0 "[ . 1 . 2]" 1
568 1 28 PRO HA 1 29 ILE QG 3.690 . 3.690 3.388 3.372 3.406 . 0 0 "[ . 1 . 2]" 1
569 1 28 PRO HB2 1 29 ILE H 3.800 . 3.800 2.910 2.900 2.929 . 0 0 "[ . 1 . 2]" 1
570 1 28 PRO HB2 1 30 CYS HA 5.500 . 5.500 5.545 5.538 5.553 0.053 2 0 "[ . 1 . 2]" 1
571 1 28 PRO HB3 1 29 ILE H 3.720 . 3.720 3.519 3.508 3.531 . 0 0 "[ . 1 . 2]" 1
572 1 28 PRO HG2 1 29 ILE H 4.910 . 4.910 4.710 4.699 4.723 . 0 0 "[ . 1 . 2]" 1
573 1 28 PRO HG3 1 29 ILE H 5.500 . 5.500 5.281 5.274 5.295 . 0 0 "[ . 1 . 2]" 1
574 1 29 ILE H 1 29 ILE HB 3.600 . 3.600 2.827 2.818 2.832 . 0 0 "[ . 1 . 2]" 1
575 1 29 ILE H 1 29 ILE MD 4.270 . 4.270 3.378 3.359 3.404 . 0 0 "[ . 1 . 2]" 1
576 1 29 ILE H 1 29 ILE QG 3.270 . 3.270 2.656 2.641 2.673 . 0 0 "[ . 1 . 2]" 1
577 1 29 ILE H 1 29 ILE MG 3.950 . 3.950 3.956 3.954 3.959 0.009 15 0 "[ . 1 . 2]" 1
578 1 29 ILE H 1 30 CYS H 4.590 . 4.590 4.471 4.463 4.475 . 0 0 "[ . 1 . 2]" 1
579 1 29 ILE HA 1 29 ILE MD 2.870 . 2.870 2.276 2.267 2.288 . 0 0 "[ . 1 . 2]" 1
580 1 29 ILE HA 1 29 ILE QG 3.880 . 3.880 3.174 3.164 3.180 . 0 0 "[ . 1 . 2]" 1
581 1 29 ILE HA 1 29 ILE MG 3.160 . 3.160 2.355 2.345 2.362 . 0 0 "[ . 1 . 2]" 1
582 1 29 ILE HA 1 30 CYS H 2.890 . 2.890 2.311 2.297 2.321 . 0 0 "[ . 1 . 2]" 1
583 1 29 ILE HA 1 30 CYS HA 4.470 . 4.470 4.361 4.356 4.367 . 0 0 "[ . 1 . 2]" 1
584 1 29 ILE HB 1 30 CYS H 3.970 . 3.970 3.605 3.593 3.637 . 0 0 "[ . 1 . 2]" 1
585 1 29 ILE HB 1 30 CYS HA 5.000 . 5.000 4.858 4.847 4.880 . 0 0 "[ . 1 . 2]" 1
586 1 29 ILE HB 1 31 GLY H 5.290 . 5.290 5.305 5.303 5.307 0.017 5 0 "[ . 1 . 2]" 1
587 1 29 ILE MD 1 30 CYS H 4.540 . 4.540 3.988 3.973 3.995 . 0 0 "[ . 1 . 2]" 1
588 1 29 ILE QG 1 30 CYS H 4.760 . 4.760 4.546 4.537 4.556 . 0 0 "[ . 1 . 2]" 1
589 1 29 ILE MG 1 30 CYS H 3.540 . 3.540 2.058 2.042 2.093 . 0 0 "[ . 1 . 2]" 1
590 1 29 ILE MG 1 30 CYS HA 5.020 . 5.020 4.033 4.023 4.046 . 0 0 "[ . 1 . 2]" 1
591 1 29 ILE MG 1 30 CYS HB2 4.310 . 4.310 3.605 3.598 3.624 . 0 0 "[ . 1 . 2]" 1
592 1 29 ILE MG 1 31 GLY H 5.500 . 5.500 4.662 4.637 4.679 . 0 0 "[ . 1 . 2]" 1
593 1 30 CYS H 1 30 CYS HB2 3.270 . 3.270 2.200 2.191 2.207 . 0 0 "[ . 1 . 2]" 1
594 1 30 CYS H 1 30 CYS HB3 3.500 . 3.500 3.478 3.472 3.483 . 0 0 "[ . 1 . 2]" 1
595 1 30 CYS H 1 31 GLY H 4.480 . 4.480 4.429 4.425 4.437 . 0 0 "[ . 1 . 2]" 1
596 1 30 CYS HA 1 31 GLY H 2.940 . 2.940 2.156 2.152 2.164 . 0 0 "[ . 1 . 2]" 1
597 1 30 CYS HA 1 31 GLY HA2 4.420 . 4.420 4.420 4.418 4.422 0.002 16 0 "[ . 1 . 2]" 1
598 1 30 CYS HB2 1 31 GLY H 4.810 . 4.810 4.486 4.480 4.492 . 0 0 "[ . 1 . 2]" 1
599 1 30 CYS HB3 1 31 GLY H 3.770 . 3.770 3.580 3.569 3.595 . 0 0 "[ . 1 . 2]" 1
600 1 31 GLY H 1 32 VAL H 5.050 . 5.050 4.327 4.316 4.346 . 0 0 "[ . 1 . 2]" 1
601 1 31 GLY H 1 32 VAL HA 5.500 . 5.500 4.728 4.717 4.750 . 0 0 "[ . 1 . 2]" 1
602 1 31 GLY HA2 1 32 VAL MG1 4.380 . 4.380 4.143 4.131 4.148 . 0 0 "[ . 1 . 2]" 1
603 1 31 GLY HA2 1 32 VAL QG 3.690 . 3.690 3.353 3.341 3.360 . 0 0 "[ . 1 . 2]" 1
604 1 31 GLY HA2 1 32 VAL MG2 4.380 . 4.380 3.542 3.528 3.553 . 0 0 "[ . 1 . 2]" 1
605 1 31 GLY HA3 1 32 VAL H 3.260 . 3.260 2.997 2.975 3.016 . 0 0 "[ . 1 . 2]" 1
606 1 31 GLY HA3 1 32 VAL HA 5.280 . 5.280 4.614 4.593 4.630 . 0 0 "[ . 1 . 2]" 1
607 1 31 GLY HA3 1 32 VAL MG1 5.100 . 5.100 5.107 5.087 5.113 0.013 17 0 "[ . 1 . 2]" 1
608 1 31 GLY HA3 1 32 VAL QG 4.340 . 4.340 4.201 4.197 4.204 . 0 0 "[ . 1 . 2]" 1
609 1 31 GLY HA3 1 32 VAL MG2 5.100 . 5.100 4.469 4.464 4.472 . 0 0 "[ . 1 . 2]" 1
610 1 32 VAL H 1 32 VAL HB 3.940 . 3.940 3.632 3.626 3.640 . 0 0 "[ . 1 . 2]" 1
611 1 32 VAL H 1 32 VAL MG1 4.560 . 4.560 2.999 2.962 3.036 . 0 0 "[ . 1 . 2]" 1
612 1 32 VAL H 1 32 VAL QG 3.880 . 3.880 1.909 1.878 1.930 . 0 0 "[ . 1 . 2]" 1
613 1 32 VAL H 1 32 VAL MG2 4.560 . 4.560 1.931 1.899 1.953 . 0 0 "[ . 1 . 2]" 1
614 1 32 VAL HA 1 32 VAL MG1 3.710 . 3.710 2.147 2.141 2.157 . 0 0 "[ . 1 . 2]" 1
615 1 32 VAL HA 1 32 VAL MG2 3.710 . 3.710 3.209 3.208 3.211 . 0 0 "[ . 1 . 2]" 1
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