NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
537815 |
2lgb   |
17803 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgb
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 500
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 ILE H 3.550 . 4.050 2.193 2.070 2.293 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 3 VAL H 4.520 . 5.020 3.873 3.566 4.082 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE H 1 2 ILE HB 3.580 . 4.080 2.761 2.195 3.595 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 3 VAL H 3.610 . 4.110 2.695 2.048 3.668 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 3 VAL HA 6.500 . 7.000 5.229 4.521 5.879 . 0 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 3 VAL HB 5.630 . 6.130 4.903 4.015 5.680 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE H 1 4 GLU H 4.590 . 5.090 4.072 2.763 4.614 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 19 TYR QE 6.940 . 7.440 5.781 4.388 6.257 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE HA 1 5 GLN H 4.470 . 4.970 3.962 3.548 4.461 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE HB 1 3 VAL H 5.080 . 5.580 3.184 2.317 4.277 . 0 0 "[ . 1 . 2]" 1
11 1 2 ILE MD 1 3 VAL H 6.090 . 6.590 4.644 3.386 5.029 . 0 0 "[ . 1 . 2]" 1
12 1 2 ILE MD 1 19 TYR H 5.920 . 6.420 4.760 4.295 4.952 . 0 0 "[ . 1 . 2]" 1
13 1 2 ILE MD 1 19 TYR QB 5.070 . 5.570 2.642 2.167 3.779 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE MD 1 19 TYR QD 6.090 . 6.590 2.599 2.250 3.029 . 0 0 "[ . 1 . 2]" 1
15 1 2 ILE QG 1 3 VAL H 5.310 . 5.810 3.976 2.980 4.471 . 0 0 "[ . 1 . 2]" 1
16 1 2 ILE QG 1 19 TYR QD 6.600 . 7.100 3.519 2.434 4.564 . 0 0 "[ . 1 . 2]" 1
17 1 2 ILE MG 1 3 VAL H 4.180 . 4.680 2.829 2.029 3.497 . 0 0 "[ . 1 . 2]" 1
18 1 2 ILE MG 1 3 VAL HA 5.810 . 6.310 3.404 3.041 4.176 . 0 0 "[ . 1 . 2]" 1
19 1 2 ILE MG 1 19 TYR QB 5.780 . 6.280 3.206 2.149 4.330 . 0 0 "[ . 1 . 2]" 1
20 1 3 VAL CB 1 3 VAL H 3.040 . 3.540 2.583 2.526 2.613 . 0 0 "[ . 1 . 2]" 1
21 1 3 VAL CB 1 4 GLU H 3.470 . 3.970 3.126 2.996 3.201 . 0 0 "[ . 1 . 2]" 1
22 1 3 VAL CB 1 6 CYS H 6.210 . 6.710 5.377 5.223 5.682 . 0 0 "[ . 1 . 2]" 1
23 1 3 VAL CB 1 7 CYS HB3 4.830 . 5.330 4.477 3.920 4.843 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL CB 2 8 GLY H 5.030 . 5.530 4.412 3.695 5.060 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL H 1 3 VAL HB 3.200 . 3.700 2.550 2.163 2.632 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL H 2 11 LEU CG 6.440 . 6.940 6.194 5.426 6.522 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL HA 1 6 CYS H 4.130 . 4.630 3.764 3.430 4.028 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL HA 2 11 LEU CG 4.780 . 5.280 3.964 3.055 4.547 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL HA 2 11 LEU MD1 7.050 . 7.550 2.727 1.951 4.409 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL HA 2 11 LEU MD2 6.050 . 6.550 3.433 1.916 4.368 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL HB 1 4 GLU H 3.300 . 3.800 2.721 2.486 3.534 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL MG1 1 4 GLU H 4.760 . 5.260 3.453 2.096 3.684 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL MG2 1 4 GLU H 4.760 . 5.260 3.919 3.842 3.979 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLU H 1 4 GLU QB 3.260 . 3.760 2.464 2.137 2.948 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLU H 1 4 GLU QG 4.590 . 5.090 2.613 2.038 3.946 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLU QB 1 7 CYS HB3 5.920 . 6.420 4.785 4.023 5.368 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLN H 1 5 GLN HB2 3.650 . 4.150 2.475 2.203 3.161 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLN H 1 5 GLN QB 3.400 . 3.900 2.349 2.127 2.614 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLN H 1 5 GLN HB3 3.650 . 4.150 3.184 2.499 3.747 . 0 0 "[ . 1 . 2]" 1
40 1 5 GLN H 1 5 GLN HG2 4.700 . 5.200 3.545 2.057 4.826 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLN H 1 5 GLN QG 4.610 . 5.110 3.063 2.045 4.060 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLN H 1 5 GLN HG3 4.700 . 5.200 3.790 2.135 4.540 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLN QB 1 6 CYS H 3.680 . 4.180 2.839 2.430 3.248 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLN HB2 1 6 CYS H 4.000 . 4.500 3.381 2.569 4.108 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLN HB3 1 6 CYS H 4.000 . 4.500 3.475 2.455 4.064 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLN HG2 1 6 CYS H 5.110 . 5.610 4.761 4.008 5.407 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLN HG3 1 6 CYS H 5.610 . 6.110 4.626 3.366 5.215 . 0 0 "[ . 1 . 2]" 1
48 1 6 CYS H 1 6 CYS HB2 3.740 . 4.240 2.581 2.215 2.856 . 0 0 "[ . 1 . 2]" 1
49 1 6 CYS H 1 6 CYS QB 3.680 . 4.180 2.470 2.192 2.675 . 0 0 "[ . 1 . 2]" 1
50 1 6 CYS H 1 6 CYS HB3 3.740 . 4.240 3.423 2.583 3.770 . 0 0 "[ . 1 . 2]" 1
51 1 6 CYS H 2 11 LEU CG 6.130 . 6.630 5.312 4.457 5.890 . 0 0 "[ . 1 . 2]" 1
52 1 6 CYS HA 1 11 CYS H 4.710 . 5.210 3.920 3.220 4.542 . 0 0 "[ . 1 . 2]" 1
53 1 6 CYS QB 1 7 CYS H 4.640 . 5.140 3.175 2.915 3.478 . 0 0 "[ . 1 . 2]" 1
54 1 6 CYS QB 1 16 LEU CG 5.930 . 6.430 5.280 4.801 5.401 . 0 0 "[ . 1 . 2]" 1
55 1 6 CYS QB 2 6 LEU QB 4.710 . 5.210 2.642 2.052 3.769 . 0 0 "[ . 1 . 2]" 1
56 1 6 CYS QB 2 11 LEU CG 4.600 . 5.100 3.246 2.955 4.002 . 0 0 "[ . 1 . 2]" 1
57 1 7 CYS H 1 7 CYS HB2 3.550 . 4.050 2.625 2.517 2.881 . 0 0 "[ . 1 . 2]" 1
58 1 7 CYS H 1 7 CYS HB3 3.450 . 3.950 2.460 2.309 2.663 . 0 0 "[ . 1 . 2]" 1
59 1 7 CYS H 1 8 THR H 3.120 . 3.620 2.497 2.208 2.722 . 0 0 "[ . 1 . 2]" 1
60 1 7 CYS H 1 8 THR MG 5.870 . 6.370 4.326 3.821 4.761 . 0 0 "[ . 1 . 2]" 1
61 1 7 CYS H 2 11 LEU CG 6.040 . 6.540 5.766 5.119 6.046 . 0 0 "[ . 1 . 2]" 1
62 1 7 CYS HA 2 5 HIS QB 4.740 . 5.240 2.906 2.339 3.669 . 0 0 "[ . 1 . 2]" 1
63 1 7 CYS HA 2 6 LEU H 3.780 . 4.280 2.965 2.581 3.308 . 0 0 "[ . 1 . 2]" 1
64 1 7 CYS HB2 2 7 CYS HA 3.730 . 4.230 2.462 2.283 2.611 . 0 0 "[ . 1 . 2]" 1
65 1 7 CYS HB2 2 8 GLY H 4.630 . 5.130 4.012 3.727 4.344 . 0 0 "[ . 1 . 2]" 1
66 1 7 CYS HB2 2 11 LEU CG 5.440 . 5.940 5.349 4.979 5.535 . 0 0 "[ . 1 . 2]" 1
67 1 7 CYS HB3 1 8 THR H 3.590 . 4.090 2.784 2.448 3.222 . 0 0 "[ . 1 . 2]" 1
68 1 7 CYS HB3 1 8 THR MG 5.310 . 5.810 3.418 2.999 4.261 . 0 0 "[ . 1 . 2]" 1
69 1 7 CYS HB3 2 7 CYS HA 4.290 . 4.790 4.133 3.896 4.306 . 0 0 "[ . 1 . 2]" 1
70 1 8 THR H 1 8 THR HB 3.780 . 4.280 3.545 2.557 3.792 . 0 0 "[ . 1 . 2]" 1
71 1 8 THR H 1 9 SER H 3.730 . 4.230 2.309 1.985 2.603 . 0 0 "[ . 1 . 2]" 1
72 1 8 THR HB 1 9 SER H 4.120 . 4.620 3.905 3.151 4.144 . 0 0 "[ . 1 . 2]" 1
73 1 8 THR MG 1 9 SER H 5.920 . 6.420 3.774 2.418 4.327 . 0 0 "[ . 1 . 2]" 1
74 1 9 SER H 1 9 SER HB2 4.160 . 4.660 2.877 2.403 3.996 . 0 0 "[ . 1 . 2]" 1
75 1 9 SER H 1 9 SER HB3 4.160 . 4.660 3.396 2.631 3.876 . 0 0 "[ . 1 . 2]" 1
76 1 9 SER HA 1 10 ILE H 3.470 . 3.970 2.481 2.303 2.742 . 0 0 "[ . 1 . 2]" 1
77 1 9 SER QB 1 10 ILE H 3.670 . 4.170 2.689 2.172 3.268 . 0 0 "[ . 1 . 2]" 1
78 1 10 ILE H 1 10 ILE HB 3.980 . 4.480 3.645 2.604 3.910 . 0 0 "[ . 1 . 2]" 1
79 1 10 ILE H 1 10 ILE HG12 4.470 . 4.970 3.061 1.988 4.134 . 0 0 "[ . 1 . 2]" 1
80 1 10 ILE H 1 10 ILE QG 4.290 . 4.790 2.213 1.954 3.372 . 0 0 "[ . 1 . 2]" 1
81 1 10 ILE H 1 10 ILE HG13 4.470 . 4.970 2.663 2.035 3.901 . 0 0 "[ . 1 . 2]" 1
82 1 10 ILE HB 1 11 CYS H 5.100 . 5.600 2.736 2.405 4.042 . 0 0 "[ . 1 . 2]" 1
83 1 10 ILE MD 1 11 CYS H 6.610 . 7.110 4.173 3.274 5.123 . 0 0 "[ . 1 . 2]" 1
84 1 10 ILE MD 2 4 GLN H 6.610 . 7.110 4.633 3.690 5.524 . 0 0 "[ . 1 . 2]" 1
85 1 10 ILE QG 1 11 CYS H 5.750 . 6.250 4.202 3.667 4.654 . 0 0 "[ . 1 . 2]" 1
86 1 10 ILE QG 2 4 GLN H 5.990 . 6.490 4.964 4.032 5.398 . 0 0 "[ . 1 . 2]" 1
87 1 10 ILE MG 1 11 CYS H 5.060 . 5.560 3.514 2.456 3.833 . 0 0 "[ . 1 . 2]" 1
88 1 10 ILE MG 2 3 ASN H 6.610 . 7.110 4.980 3.537 5.545 . 0 0 "[ . 1 . 2]" 1
89 1 10 ILE MG 2 3 ASN HA 6.610 . 7.110 3.516 2.151 5.057 . 0 0 "[ . 1 . 2]" 1
90 1 10 ILE MG 2 3 ASN HB2 5.720 . 6.220 3.812 2.343 4.793 . 0 0 "[ . 1 . 2]" 1
91 1 10 ILE MG 2 3 ASN QB 5.340 . 5.840 3.426 2.299 3.993 . 0 0 "[ . 1 . 2]" 1
92 1 10 ILE MG 2 3 ASN HB3 5.720 . 6.220 4.131 2.990 4.822 . 0 0 "[ . 1 . 2]" 1
93 1 10 ILE MG 2 4 GLN H 5.580 . 6.080 3.399 2.566 4.002 . 0 0 "[ . 1 . 2]" 1
94 1 10 ILE MG 2 5 HIS H 5.510 . 6.010 3.719 2.614 4.608 . 0 0 "[ . 1 . 2]" 1
95 1 10 ILE MG 2 5 HIS HD2 6.610 . 7.110 3.780 2.295 5.507 . 0 0 "[ . 1 . 2]" 1
96 1 10 ILE MG 2 5 HIS HE1 6.570 . 7.070 3.816 2.460 5.514 . 0 0 "[ . 1 . 2]" 1
97 1 11 CYS HA 1 12 SER H 3.200 . 3.700 2.363 2.199 2.719 . 0 0 "[ . 1 . 2]" 1
98 1 11 CYS QB 1 12 SER H 4.110 . 4.610 2.616 2.055 3.511 . 0 0 "[ . 1 . 2]" 1
99 1 11 CYS HB2 1 12 SER H 4.190 . 4.690 3.108 2.067 4.187 . 0 0 "[ . 1 . 2]" 1
100 1 11 CYS HB3 1 12 SER H 4.190 . 4.690 3.446 2.515 3.907 . 0 0 "[ . 1 . 2]" 1
101 1 12 SER H 1 12 SER HB2 3.960 . 4.460 3.065 2.352 3.930 . 0 0 "[ . 1 . 2]" 1
102 1 12 SER H 1 12 SER HB3 3.960 . 4.460 3.204 2.473 3.950 . 0 0 "[ . 1 . 2]" 1
103 1 12 SER H 1 14 TYR H 5.350 . 5.850 4.938 4.375 5.197 . 0 0 "[ . 1 . 2]" 1
104 1 12 SER H 1 15 GLN H 4.530 . 5.030 3.552 3.156 3.935 . 0 0 "[ . 1 . 2]" 1
105 1 12 SER H 1 15 GLN HB2 4.140 . 4.640 2.540 2.155 3.271 . 0 0 "[ . 1 . 2]" 1
106 1 12 SER H 1 15 GLN QB 3.820 . 4.320 2.448 1.898 2.821 . 0 0 "[ . 1 . 2]" 1
107 1 12 SER H 1 15 GLN HB3 4.140 . 4.640 3.902 1.911 4.216 . 0 0 "[ . 1 . 2]" 1
108 1 12 SER H 1 15 GLN QG 5.110 . 5.610 3.331 2.575 4.058 . 0 0 "[ . 1 . 2]" 1
109 1 12 SER H 1 16 LEU H 4.870 . 5.370 4.224 3.529 4.912 . 0 0 "[ . 1 . 2]" 1
110 1 12 SER HA 1 13 LEU H 3.140 . 3.640 2.371 2.261 2.549 . 0 0 "[ . 1 . 2]" 1
111 1 12 SER HA 1 13 LEU QB 5.490 . 5.990 4.677 4.558 4.888 . 0 0 "[ . 1 . 2]" 1
112 1 12 SER HA 1 13 LEU HG 4.390 . 4.890 4.061 3.810 4.445 . 0 0 "[ . 1 . 2]" 1
113 1 12 SER HA 1 14 TYR H 4.340 . 4.840 4.305 3.918 4.421 . 0 0 "[ . 1 . 2]" 1
114 1 12 SER QB 1 13 LEU H 4.050 . 4.550 2.834 2.184 3.482 . 0 0 "[ . 1 . 2]" 1
115 1 13 LEU CG 1 13 LEU H 3.840 . 4.340 2.733 2.586 2.865 . 0 0 "[ . 1 . 2]" 1
116 1 13 LEU CG 1 14 TYR H 4.520 . 5.020 4.293 2.988 4.531 . 0 0 "[ . 1 . 2]" 1
117 1 13 LEU CG 2 1 PHE QD 5.560 . 6.060 4.044 3.207 4.865 . 0 0 "[ . 1 . 2]" 1
118 1 13 LEU H 1 13 LEU HB2 4.030 . 4.530 2.668 2.436 3.603 . 0 0 "[ . 1 . 2]" 1
119 1 13 LEU H 1 13 LEU QB 3.730 . 4.230 2.526 2.398 2.675 . 0 0 "[ . 1 . 2]" 1
120 1 13 LEU H 1 13 LEU HB3 4.030 . 4.530 3.512 2.702 3.634 . 0 0 "[ . 1 . 2]" 1
121 1 13 LEU H 1 13 LEU MD1 5.340 . 5.840 3.666 3.571 3.851 . 0 0 "[ . 1 . 2]" 1
122 1 13 LEU H 1 13 LEU MD2 5.340 . 5.840 2.985 1.829 3.343 . 0 0 "[ . 1 . 2]" 1
123 1 13 LEU H 1 13 LEU HG 4.140 . 4.640 2.183 2.001 2.480 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU H 1 14 TYR H 3.850 . 4.350 2.814 2.541 3.002 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU H 1 15 GLN H 4.410 . 4.910 4.246 4.064 4.410 . 0 0 "[ . 1 . 2]" 1
126 1 13 LEU H 1 16 LEU H 5.120 . 5.620 4.869 4.736 5.085 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU HA 1 13 LEU HG 3.730 . 4.230 3.298 3.128 3.706 . 0 0 "[ . 1 . 2]" 1
128 1 13 LEU HA 1 16 LEU CG 4.540 . 5.040 3.802 3.348 4.356 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU HA 1 16 LEU H 3.890 . 4.390 3.302 3.058 3.585 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU HA 1 16 LEU QB 5.010 . 5.510 2.462 2.142 2.923 . 0 0 "[ . 1 . 2]" 1
131 1 13 LEU HA 2 18 VAL CB 4.430 . 4.930 4.385 4.052 4.526 . 0 0 "[ . 1 . 2]" 1
132 1 13 LEU HA 2 18 VAL MG1 5.900 . 6.400 3.026 2.143 3.647 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU HA 2 18 VAL MG2 4.900 . 5.400 2.884 2.239 3.729 . 0 0 "[ . 1 . 2]" 1
134 1 13 LEU QB 1 14 TYR H 4.230 . 4.730 2.758 2.405 3.567 . 0 0 "[ . 1 . 2]" 1
135 1 13 LEU QB 1 16 LEU H 5.990 . 6.490 4.834 4.569 5.021 . 0 0 "[ . 1 . 2]" 1
136 1 13 LEU HB2 1 14 TYR H 4.350 . 4.850 2.840 2.459 3.840 . 0 0 "[ . 1 . 2]" 1
137 1 13 LEU HB3 1 14 TYR H 4.350 . 4.850 3.811 3.403 4.234 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU MD1 1 14 TYR H 6.330 . 6.830 4.545 3.505 4.786 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU MD1 1 15 GLN H 9.610 . 10.110 6.374 5.587 6.618 . 0 0 "[ . 1 . 2]" 1
140 1 13 LEU MD2 1 14 TYR H 6.330 . 6.830 4.607 3.546 4.788 . 0 0 "[ . 1 . 2]" 1
141 1 13 LEU MD2 1 15 GLN H 6.610 . 7.110 5.484 5.365 5.529 . 0 0 "[ . 1 . 2]" 1
142 1 13 LEU HG 1 14 TYR H 4.640 . 5.140 4.147 2.070 4.555 . 0 0 "[ . 1 . 2]" 1
143 1 14 TYR H 1 14 TYR QB 3.520 . 4.020 2.391 2.167 2.655 . 0 0 "[ . 1 . 2]" 1
144 1 14 TYR H 1 14 TYR QD 4.850 . 5.350 3.330 2.451 4.208 . 0 0 "[ . 1 . 2]" 1
145 1 14 TYR H 1 16 LEU H 4.530 . 5.030 4.257 4.115 4.535 . 0 0 "[ . 1 . 2]" 1
146 1 14 TYR HA 1 14 TYR QD 4.190 . 4.690 2.870 2.502 3.764 . 0 0 "[ . 1 . 2]" 1
147 1 14 TYR QB 1 15 GLN H 4.820 . 5.320 3.126 2.743 3.922 . 0 0 "[ . 1 . 2]" 1
148 1 14 TYR QD 1 15 GLN H 5.320 . 5.820 4.008 3.424 4.536 . 0 0 "[ . 1 . 2]" 1
149 1 15 GLN H 1 15 GLN HB2 3.890 . 4.390 2.461 2.291 2.829 . 0 0 "[ . 1 . 2]" 1
150 1 15 GLN H 1 15 GLN QB 3.420 . 3.920 2.393 2.148 2.525 . 0 0 "[ . 1 . 2]" 1
151 1 15 GLN H 1 15 GLN HB3 3.890 . 4.390 3.568 2.226 3.715 . 0 0 "[ . 1 . 2]" 1
152 1 15 GLN H 1 15 GLN QG 4.150 . 4.650 2.788 2.333 3.851 . 0 0 "[ . 1 . 2]" 1
153 1 15 GLN H 1 16 LEU CG 5.440 . 5.940 5.062 4.718 5.462 . 0 0 "[ . 1 . 2]" 1
154 1 15 GLN H 1 16 LEU H 3.210 . 3.710 2.330 2.113 2.503 . 0 0 "[ . 1 . 2]" 1
155 1 15 GLN H 1 16 LEU QB 5.370 . 5.870 4.217 3.925 4.445 . 0 0 "[ . 1 . 2]" 1
156 1 15 GLN H 1 16 LEU HG 6.020 . 6.520 4.547 3.837 6.049 . 0 0 "[ . 1 . 2]" 1
157 1 15 GLN H 1 17 GLU H 4.080 . 4.580 3.852 3.526 4.095 . 0 0 "[ . 1 . 2]" 1
158 1 15 GLN H 2 18 VAL CB 7.440 . 7.940 7.379 6.834 7.521 . 0 0 "[ . 1 . 2]" 1
159 1 15 GLN HA 1 15 GLN QG 3.600 . 4.100 2.527 2.330 3.133 . 0 0 "[ . 1 . 2]" 1
160 1 15 GLN HA 1 18 ASN QB 4.320 . 4.820 2.891 2.309 3.892 . 0 0 "[ . 1 . 2]" 1
161 1 15 GLN HA 1 18 ASN QD 5.770 . 6.270 4.160 2.010 5.165 . 0 0 "[ . 1 . 2]" 1
162 1 15 GLN QB 1 16 LEU H 4.090 . 4.590 2.696 2.489 2.939 . 0 0 "[ . 1 . 2]" 1
163 1 15 GLN QG 1 16 LEU H 5.560 . 6.060 4.219 3.504 4.646 . 0 0 "[ . 1 . 2]" 1
164 1 16 LEU CG 1 16 LEU H 3.720 . 4.220 2.960 2.813 3.218 . 0 0 "[ . 1 . 2]" 1
165 1 16 LEU CG 1 17 GLU H 5.430 . 5.930 4.613 4.513 4.761 . 0 0 "[ . 1 . 2]" 1
166 1 16 LEU CG 2 15 LEU H 5.180 . 5.680 4.993 4.380 5.268 . 0 0 "[ . 1 . 2]" 1
167 1 16 LEU CG 2 15 LEU HA 4.620 . 5.120 4.195 3.851 4.652 . 0 0 "[ . 1 . 2]" 1
168 1 16 LEU H 1 16 LEU HB2 3.730 . 4.230 2.361 2.256 2.502 . 0 0 "[ . 1 . 2]" 1
169 1 16 LEU H 1 16 LEU QB 3.600 . 4.100 2.329 2.232 2.458 . 0 0 "[ . 1 . 2]" 1
170 1 16 LEU H 1 16 LEU HB3 3.730 . 4.230 3.565 3.529 3.613 . 0 0 "[ . 1 . 2]" 1
171 1 16 LEU H 1 16 LEU MD1 5.100 . 5.600 3.432 3.135 3.830 . 0 0 "[ . 1 . 2]" 1
172 1 16 LEU H 1 16 LEU MD2 5.100 . 5.600 3.448 2.107 3.947 . 0 0 "[ . 1 . 2]" 1
173 1 16 LEU H 1 16 LEU HG 4.400 . 4.900 2.651 2.222 4.081 . 0 0 "[ . 1 . 2]" 1
174 1 16 LEU H 1 17 GLU H 3.100 . 3.600 2.746 2.543 2.862 . 0 0 "[ . 1 . 2]" 1
175 1 16 LEU H 1 18 ASN H 4.890 . 5.390 4.171 3.938 4.334 . 0 0 "[ . 1 . 2]" 1
176 1 16 LEU H 2 18 VAL CB 5.940 . 6.440 5.899 5.716 6.041 . 0 0 "[ . 1 . 2]" 1
177 1 16 LEU HA 1 16 LEU HG 3.900 . 4.400 3.031 2.640 3.757 . 0 0 "[ . 1 . 2]" 1
178 1 16 LEU HA 1 19 TYR QD 3.850 . 4.350 2.428 2.072 3.437 . 0 0 "[ . 1 . 2]" 1
179 1 16 LEU QB 1 17 GLU H 3.670 . 4.170 2.790 2.633 3.047 . 0 0 "[ . 1 . 2]" 1
180 1 16 LEU QB 1 18 ASN H 5.980 . 6.480 4.680 4.513 4.951 . 0 0 "[ . 1 . 2]" 1
181 1 16 LEU QB 2 15 LEU HA 5.190 . 5.690 2.351 2.142 2.773 . 0 0 "[ . 1 . 2]" 1
182 1 16 LEU HB2 1 17 GLU H 3.980 . 4.480 2.883 2.709 3.160 . 0 0 "[ . 1 . 2]" 1
183 1 16 LEU HB3 1 17 GLU H 3.980 . 4.480 3.727 3.500 3.997 . 0 0 "[ . 1 . 2]" 1
184 1 16 LEU MD1 1 17 GLU H 6.110 . 6.610 4.696 4.542 4.910 . 0 0 "[ . 1 . 2]" 1
185 1 16 LEU MD1 1 19 TYR QD 7.000 . 7.500 4.691 2.291 5.237 . 0 0 "[ . 1 . 2]" 1
186 1 16 LEU MD1 2 15 LEU H 5.820 . 6.320 4.046 2.812 4.563 . 0 0 "[ . 1 . 2]" 1
187 1 16 LEU MD2 1 17 GLU H 7.110 . 7.610 4.796 4.117 4.968 . 0 0 "[ . 1 . 2]" 1
188 1 16 LEU MD2 1 19 TYR QD 6.000 . 6.500 2.812 2.105 4.466 . 0 0 "[ . 1 . 2]" 1
189 1 16 LEU MD2 2 15 LEU H 6.820 . 7.320 3.412 2.740 5.472 . 0 0 "[ . 1 . 2]" 1
190 1 16 LEU HG 1 17 GLU H 5.310 . 5.810 4.747 4.540 5.395 . 0 0 "[ . 1 . 2]" 1
191 1 17 GLU H 1 17 GLU HB2 3.570 . 4.070 2.402 2.228 3.613 . 0 0 "[ . 1 . 2]" 1
192 1 17 GLU H 1 17 GLU QB 3.400 . 3.900 2.294 2.146 2.710 . 0 0 "[ . 1 . 2]" 1
193 1 17 GLU H 1 17 GLU HB3 3.570 . 4.070 3.164 2.699 3.617 . 0 0 "[ . 1 . 2]" 1
194 1 17 GLU H 1 17 GLU HG2 4.540 . 5.040 3.986 2.011 4.575 . 0 0 "[ . 1 . 2]" 1
195 1 17 GLU H 1 17 GLU HG3 4.540 . 5.040 3.394 2.267 4.294 . 0 0 "[ . 1 . 2]" 1
196 1 17 GLU H 1 18 ASN H 3.760 . 4.260 2.793 2.520 2.942 . 0 0 "[ . 1 . 2]" 1
197 1 17 GLU H 2 18 VAL CB 5.110 . 5.610 4.742 4.371 5.132 . 0 0 "[ . 1 . 2]" 1
198 1 17 GLU HA 2 18 VAL CB 5.580 . 6.080 4.708 3.965 5.625 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLU HB2 1 18 ASN H 4.460 . 4.960 3.636 2.596 4.240 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLU HB3 1 18 ASN H 4.460 . 4.960 3.510 2.686 4.420 . 0 0 "[ . 1 . 2]" 1
201 1 17 GLU QG 2 18 VAL CB 4.880 . 5.380 4.129 3.368 4.421 . 0 0 "[ . 1 . 2]" 1
202 1 18 ASN H 1 18 ASN HB2 3.700 . 4.200 2.475 2.231 2.886 . 0 0 "[ . 1 . 2]" 1
203 1 18 ASN H 1 18 ASN QB 3.600 . 4.100 2.266 2.157 2.518 . 0 0 "[ . 1 . 2]" 1
204 1 18 ASN H 1 18 ASN HB3 3.700 . 4.200 2.834 2.453 3.689 . 0 0 "[ . 1 . 2]" 1
205 1 18 ASN H 1 18 ASN QD 5.130 . 5.630 4.053 2.332 4.580 . 0 0 "[ . 1 . 2]" 1
206 1 18 ASN H 1 19 TYR H 3.470 . 3.970 2.583 2.104 2.879 . 0 0 "[ . 1 . 2]" 1
207 1 18 ASN QB 1 19 TYR H 4.110 . 4.610 2.840 2.433 3.170 . 0 0 "[ . 1 . 2]" 1
208 1 18 ASN QB 1 19 TYR QD 5.860 . 6.360 3.541 2.957 3.846 . 0 0 "[ . 1 . 2]" 1
209 1 18 ASN HB2 1 19 TYR H 4.190 . 4.690 3.739 2.473 4.146 . 0 0 "[ . 1 . 2]" 1
210 1 18 ASN HB2 1 19 TYR QD 5.940 . 6.440 4.792 3.124 5.315 . 0 0 "[ . 1 . 2]" 1
211 1 18 ASN HB3 1 19 TYR H 4.190 . 4.690 3.129 2.622 3.845 . 0 0 "[ . 1 . 2]" 1
212 1 18 ASN HB3 1 19 TYR QD 5.940 . 6.440 3.738 2.991 4.488 . 0 0 "[ . 1 . 2]" 1
213 1 19 TYR H 1 19 TYR HB2 3.740 . 4.240 2.572 2.435 2.644 . 0 0 "[ . 1 . 2]" 1
214 1 19 TYR H 1 19 TYR QB 3.610 . 4.110 2.519 2.399 2.581 . 0 0 "[ . 1 . 2]" 1
215 1 19 TYR H 1 19 TYR HB3 3.740 . 4.240 3.599 3.533 3.703 . 0 0 "[ . 1 . 2]" 1
216 1 19 TYR H 1 19 TYR QD 4.030 . 4.530 2.944 2.415 3.155 . 0 0 "[ . 1 . 2]" 1
217 1 19 TYR H 1 19 TYR QE 4.920 . 5.420 4.350 4.068 4.439 . 0 0 "[ . 1 . 2]" 1
218 1 19 TYR H 1 20 CYS H 3.250 . 3.750 2.697 2.376 2.889 . 0 0 "[ . 1 . 2]" 1
219 1 19 TYR H 2 15 LEU CG 6.120 . 6.620 6.013 5.748 6.173 . 0 0 "[ . 1 . 2]" 1
220 1 19 TYR H 2 15 LEU MD2 6.610 . 7.110 4.521 3.602 5.038 . 0 0 "[ . 1 . 2]" 1
221 1 19 TYR HA 1 19 TYR QD 4.110 . 4.610 2.343 2.160 2.800 . 0 0 "[ . 1 . 2]" 1
222 1 19 TYR QB 1 20 CYS H 4.980 . 5.480 3.122 2.831 3.539 . 0 0 "[ . 1 . 2]" 1
223 1 19 TYR QB 2 15 LEU CG 4.200 . 4.700 3.638 3.336 3.815 . 0 0 "[ . 1 . 2]" 1
224 1 19 TYR HB2 2 15 LEU MD1 7.580 . 8.080 3.127 2.289 4.070 . 0 0 "[ . 1 . 2]" 1
225 1 19 TYR HB2 2 15 LEU MD2 6.580 . 7.080 2.365 2.064 2.724 . 0 0 "[ . 1 . 2]" 1
226 1 19 TYR HB3 2 15 LEU MD1 7.580 . 8.080 3.660 2.985 4.569 . 0 0 "[ . 1 . 2]" 1
227 1 19 TYR HB3 2 15 LEU MD2 6.580 . 7.080 2.628 2.238 3.524 . 0 0 "[ . 1 . 2]" 1
228 1 19 TYR QD 1 20 CYS H 5.510 . 6.010 4.623 4.503 4.798 . 0 0 "[ . 1 . 2]" 1
229 1 19 TYR QD 2 15 LEU MD1 6.870 . 7.370 4.405 3.539 5.120 . 0 0 "[ . 1 . 2]" 1
230 1 19 TYR QD 2 15 LEU MD2 6.870 . 7.370 2.881 2.255 3.979 . 0 0 "[ . 1 . 2]" 1
231 1 20 CYS H 1 20 CYS HB2 3.770 . 4.270 2.990 2.328 3.790 . 0 0 "[ . 1 . 2]" 1
232 1 20 CYS H 1 20 CYS HB3 3.770 . 4.270 2.989 2.441 3.636 . 0 0 "[ . 1 . 2]" 1
233 1 20 CYS H 2 15 LEU CG 5.650 . 6.150 5.433 4.954 5.709 . 0 0 "[ . 1 . 2]" 1
234 1 20 CYS HA 1 21 ASN H 4.020 . 4.520 3.003 2.230 3.581 . 0 0 "[ . 1 . 2]" 1
235 1 20 CYS QB 1 21 ASN H 4.740 . 5.240 3.249 2.264 4.036 . 0 0 "[ . 1 . 2]" 1
236 1 20 CYS QB 1 22 GLY H 5.990 . 6.490 4.627 2.888 5.430 . 0 0 "[ . 1 . 2]" 1
237 1 21 ASN H 1 21 ASN HB2 3.610 . 4.110 2.680 2.169 3.193 . 0 0 "[ . 1 . 2]" 1
238 1 21 ASN H 1 21 ASN HB3 3.610 . 4.110 2.842 2.304 3.712 . 0 0 "[ . 1 . 2]" 1
239 2 1 PHE HA 2 2 VAL H 3.100 . 3.600 2.379 2.110 2.661 . 0 0 "[ . 1 . 2]" 1
240 2 1 PHE QB 2 2 VAL CB 6.890 . 7.390 5.231 4.424 5.756 . 0 0 "[ . 1 . 2]" 1
241 2 1 PHE QB 2 2 VAL H 4.640 . 5.140 3.121 2.240 3.880 . 0 0 "[ . 1 . 2]" 1
242 2 1 PHE QD 2 2 VAL CB 6.170 . 6.670 4.806 3.497 5.564 . 0 0 "[ . 1 . 2]" 1
243 2 2 VAL CB 2 3 ASN H 4.080 . 4.580 3.147 2.388 3.795 . 0 0 "[ . 1 . 2]" 1
244 2 2 VAL HA 2 3 ASN H 3.050 . 3.550 2.403 2.141 3.147 . 0 0 "[ . 1 . 2]" 1
245 2 2 VAL HB 2 3 ASN H 4.240 . 4.740 3.275 1.920 4.331 . 0 0 "[ . 1 . 2]" 1
246 2 3 ASN H 2 3 ASN HB3 3.700 . 4.200 3.107 2.546 3.650 . 0 0 "[ . 1 . 2]" 1
247 2 3 ASN HA 2 4 GLN H 3.010 . 3.510 2.442 2.099 3.055 . 0 0 "[ . 1 . 2]" 1
248 2 3 ASN QB 2 4 GLN H 5.270 . 5.770 3.508 2.162 4.096 . 0 0 "[ . 1 . 2]" 1
249 2 3 ASN HB2 2 4 GLN H 4.540 . 5.040 4.167 2.177 4.683 . 0 0 "[ . 1 . 2]" 1
250 2 3 ASN HB3 2 4 GLN H 5.540 . 6.040 3.949 2.734 4.618 . 0 0 "[ . 1 . 2]" 1
251 2 4 GLN H 2 4 GLN QG 4.820 . 5.320 3.353 2.289 4.301 . 0 0 "[ . 1 . 2]" 1
252 2 4 GLN H 2 5 HIS H 4.650 . 5.150 4.492 4.374 4.659 . 0 0 "[ . 1 . 2]" 1
253 2 4 GLN HA 2 5 HIS H 3.220 . 3.720 2.381 2.148 2.738 . 0 0 "[ . 1 . 2]" 1
254 2 4 GLN QB 2 5 HIS H 4.270 . 4.770 2.653 1.971 3.713 . 0 0 "[ . 1 . 2]" 1
255 2 4 GLN QB 2 5 HIS HD2 5.990 . 6.490 4.987 3.254 5.367 . 0 0 "[ . 1 . 2]" 1
256 2 4 GLN QG 2 5 HIS H 4.710 . 5.210 3.507 2.405 4.225 . 0 0 "[ . 1 . 2]" 1
257 2 5 HIS H 2 5 HIS HB2 3.750 . 4.250 2.719 2.358 3.816 . 0 0 "[ . 1 . 2]" 1
258 2 5 HIS H 2 5 HIS QB 3.520 . 4.020 2.555 2.328 3.204 . 0 0 "[ . 1 . 2]" 1
259 2 5 HIS H 2 5 HIS HB3 3.750 . 4.250 3.572 3.027 3.795 . 0 0 "[ . 1 . 2]" 1
260 2 5 HIS H 2 5 HIS HD2 4.270 . 4.770 3.016 2.400 3.877 . 0 0 "[ . 1 . 2]" 1
261 2 5 HIS H 2 6 LEU H 4.740 . 5.240 4.538 4.433 4.624 . 0 0 "[ . 1 . 2]" 1
262 2 5 HIS HA 2 6 LEU CG 5.400 . 5.900 4.897 4.535 5.578 . 0 0 "[ . 1 . 2]" 1
263 2 5 HIS HA 2 6 LEU H 3.300 . 3.800 2.200 2.136 2.283 . 0 0 "[ . 1 . 2]" 1
264 2 5 HIS QB 2 6 LEU H 4.340 . 4.840 2.830 2.441 3.291 . 0 0 "[ . 1 . 2]" 1
265 2 5 HIS HB2 2 6 LEU H 4.600 . 5.100 3.779 2.555 4.338 . 0 0 "[ . 1 . 2]" 1
266 2 5 HIS HB3 2 6 LEU H 4.600 . 5.100 3.092 2.478 3.944 . 0 0 "[ . 1 . 2]" 1
267 2 6 LEU CG 2 6 LEU H 4.240 . 4.740 3.763 3.508 4.291 . 0 0 "[ . 1 . 2]" 1
268 2 6 LEU CG 2 6 LEU HA 3.240 . 3.740 2.825 2.687 2.927 . 0 0 "[ . 1 . 2]" 1
269 2 6 LEU CG 2 7 CYS H 5.140 . 5.640 4.520 3.246 4.941 . 0 0 "[ . 1 . 2]" 1
270 2 6 LEU CG 2 10 HIS QB 5.120 . 5.620 4.541 3.557 4.630 . 0 0 "[ . 1 . 2]" 1
271 2 6 LEU CG 2 10 HIS HD2 6.440 . 6.940 5.878 5.348 6.474 . 0 0 "[ . 1 . 2]" 1
272 2 6 LEU CG 2 10 HIS HE1 5.440 . 5.940 5.312 4.272 5.461 . 0 0 "[ . 1 . 2]" 1
273 2 6 LEU CG 2 14 ALA H 6.660 . 7.160 5.863 5.154 6.416 . 0 0 "[ . 1 . 2]" 1
274 2 6 LEU CG 2 14 ALA MB 5.200 . 5.700 3.665 3.039 4.137 . 0 0 "[ . 1 . 2]" 1
275 2 6 LEU H 2 6 LEU HG 4.970 . 5.470 3.617 3.127 4.702 . 0 0 "[ . 1 . 2]" 1
276 2 6 LEU H 2 7 CYS H 4.540 . 5.040 4.272 3.896 4.408 . 0 0 "[ . 1 . 2]" 1
277 2 6 LEU HA 2 6 LEU HG 3.840 . 4.340 3.127 2.571 3.789 . 0 0 "[ . 1 . 2]" 1
278 2 6 LEU HA 2 7 CYS H 2.960 . 3.460 2.213 2.137 2.300 . 0 0 "[ . 1 . 2]" 1
279 2 6 LEU QB 2 7 CYS H 4.190 . 4.690 3.143 2.623 3.743 . 0 0 "[ . 1 . 2]" 1
280 2 6 LEU HB2 2 7 CYS H 4.360 . 4.860 4.183 3.803 4.495 . 0 0 "[ . 1 . 2]" 1
281 2 6 LEU HB3 2 7 CYS H 4.360 . 4.860 3.260 2.673 4.004 . 0 0 "[ . 1 . 2]" 1
282 2 6 LEU MD1 2 7 CYS H 6.520 . 7.020 4.707 2.463 5.311 . 0 0 "[ . 1 . 2]" 1
283 2 6 LEU MD1 2 14 ALA H 6.450 . 6.950 4.183 3.625 5.420 . 0 0 "[ . 1 . 2]" 1
284 2 6 LEU MD2 2 7 CYS H 7.520 . 8.020 3.893 3.373 5.423 . 0 0 "[ . 1 . 2]" 1
285 2 6 LEU MD2 2 14 ALA H 8.450 . 8.950 4.683 3.544 5.856 . 0 0 "[ . 1 . 2]" 1
286 2 7 CYS H 2 7 CYS HB3 3.470 . 3.970 3.310 2.905 3.775 . 0 0 "[ . 1 . 2]" 1
287 2 7 CYS H 2 8 GLY H 4.520 . 5.020 4.479 4.436 4.529 . 0 0 "[ . 1 . 2]" 1
288 2 7 CYS H 2 10 HIS QB 4.160 . 4.660 2.561 2.011 3.424 . 0 0 "[ . 1 . 2]" 1
289 2 7 CYS H 2 11 LEU QB 5.350 . 5.850 3.471 3.148 3.998 . 0 0 "[ . 1 . 2]" 1
290 2 7 CYS HA 2 8 GLY H 3.290 . 3.790 2.277 2.228 2.347 . 0 0 "[ . 1 . 2]" 1
291 2 7 CYS HA 2 8 GLY QA 5.130 . 5.630 4.026 3.996 4.069 . 0 0 "[ . 1 . 2]" 1
292 2 7 CYS HA 2 11 LEU CG 5.120 . 5.620 4.378 4.092 5.008 . 0 0 "[ . 1 . 2]" 1
293 2 7 CYS QB 2 8 GLY H 4.270 . 4.770 3.148 2.533 3.527 . 0 0 "[ . 1 . 2]" 1
294 2 7 CYS HB2 2 8 GLY H 4.520 . 5.020 4.094 3.631 4.273 . 0 0 "[ . 1 . 2]" 1
295 2 7 CYS HB3 2 8 GLY H 4.520 . 5.020 3.287 2.585 3.760 . 0 0 "[ . 1 . 2]" 1
296 2 8 GLY H 2 11 LEU HB2 4.970 . 5.470 3.707 3.410 4.033 . 0 0 "[ . 1 . 2]" 1
297 2 8 GLY H 2 11 LEU QB 4.840 . 5.340 3.288 3.179 3.407 . 0 0 "[ . 1 . 2]" 1
298 2 8 GLY H 2 11 LEU HB3 4.970 . 5.470 3.735 3.387 3.975 . 0 0 "[ . 1 . 2]" 1
299 2 8 GLY H 2 11 LEU MD1 6.610 . 7.110 4.224 3.287 5.519 . 0 0 "[ . 1 . 2]" 1
300 2 8 GLY H 2 11 LEU MD2 6.610 . 7.110 4.917 3.408 5.535 . 0 0 "[ . 1 . 2]" 1
301 2 8 GLY QA 2 9 SER H 3.400 . 3.900 2.134 2.103 2.155 . 0 0 "[ . 1 . 2]" 1
302 2 8 GLY QA 2 10 HIS H 5.170 . 5.670 3.669 3.562 3.817 . 0 0 "[ . 1 . 2]" 1
303 2 9 SER H 2 9 SER QB 3.580 . 4.080 2.541 2.192 2.586 . 0 0 "[ . 1 . 2]" 1
304 2 9 SER H 2 10 HIS H 3.780 . 4.280 2.935 2.847 2.986 . 0 0 "[ . 1 . 2]" 1
305 2 9 SER H 2 10 HIS HA 6.350 . 6.850 5.495 5.410 5.538 . 0 0 "[ . 1 . 2]" 1
306 2 9 SER H 2 12 VAL CB 7.190 . 7.690 5.944 5.788 6.082 . 0 0 "[ . 1 . 2]" 1
307 2 9 SER HA 2 10 HIS H 4.490 . 4.990 3.584 3.566 3.613 . 0 0 "[ . 1 . 2]" 1
308 2 9 SER HA 2 12 VAL CB 3.480 . 3.980 3.475 3.382 3.502 . 0 0 "[ . 1 . 2]" 1
309 2 9 SER HA 2 12 VAL H 3.830 . 4.330 3.372 3.282 3.471 . 0 0 "[ . 1 . 2]" 1
310 2 9 SER HA 2 12 VAL HB 2.880 . 3.380 2.519 2.390 2.612 . 0 0 "[ . 1 . 2]" 1
311 2 9 SER QB 2 10 HIS H 4.030 . 4.530 3.003 2.662 3.598 . 0 0 "[ . 1 . 2]" 1
312 2 9 SER QB 2 10 HIS HD2 6.670 . 7.170 5.906 5.554 5.982 . 0 0 "[ . 1 . 2]" 1
313 2 9 SER QB 2 12 VAL H 5.530 . 6.030 4.908 4.769 4.984 . 0 0 "[ . 1 . 2]" 1
314 2 10 HIS H 2 10 HIS HB2 3.690 . 4.190 2.337 2.263 2.495 . 0 0 "[ . 1 . 2]" 1
315 2 10 HIS H 2 10 HIS QB 3.540 . 4.040 2.207 2.164 2.255 . 0 0 "[ . 1 . 2]" 1
316 2 10 HIS H 2 10 HIS HB3 3.690 . 4.190 2.719 2.572 2.793 . 0 0 "[ . 1 . 2]" 1
317 2 10 HIS H 2 10 HIS HD2 4.790 . 5.290 4.839 4.799 4.876 . 0 0 "[ . 1 . 2]" 1
318 2 10 HIS H 2 11 LEU H 3.430 . 3.930 2.560 2.503 2.617 . 0 0 "[ . 1 . 2]" 1
319 2 10 HIS QB 2 11 LEU H 4.710 . 5.210 2.805 2.684 2.915 . 0 0 "[ . 1 . 2]" 1
320 2 11 LEU CG 2 12 VAL H 4.620 . 5.120 4.222 4.020 4.388 . 0 0 "[ . 1 . 2]" 1
321 2 11 LEU CG 2 12 VAL HA 5.510 . 6.010 5.170 4.815 5.434 . 0 0 "[ . 1 . 2]" 1
322 2 11 LEU H 2 11 LEU HB2 3.900 . 4.400 2.404 2.186 2.611 . 0 0 "[ . 1 . 2]" 1
323 2 11 LEU H 2 11 LEU QB 3.670 . 4.170 2.182 2.101 2.253 . 0 0 "[ . 1 . 2]" 1
324 2 11 LEU H 2 11 LEU HB3 3.900 . 4.400 2.555 2.371 2.738 . 0 0 "[ . 1 . 2]" 1
325 2 11 LEU H 2 11 LEU MD1 5.450 . 5.950 4.161 4.097 4.286 . 0 0 "[ . 1 . 2]" 1
326 2 11 LEU H 2 11 LEU MD2 5.450 . 5.950 4.262 4.056 4.336 . 0 0 "[ . 1 . 2]" 1
327 2 11 LEU H 2 11 LEU HG 4.600 . 5.100 4.413 4.229 4.595 . 0 0 "[ . 1 . 2]" 1
328 2 11 LEU H 2 12 VAL CB 5.730 . 6.230 5.077 4.977 5.232 . 0 0 "[ . 1 . 2]" 1
329 2 11 LEU H 2 12 VAL H 3.590 . 4.090 2.571 2.473 2.709 . 0 0 "[ . 1 . 2]" 1
330 2 11 LEU H 2 12 VAL HA 5.470 . 5.970 5.256 5.185 5.350 . 0 0 "[ . 1 . 2]" 1
331 2 11 LEU HA 2 11 LEU HG 3.860 . 4.360 2.976 2.501 3.826 . 0 0 "[ . 1 . 2]" 1
332 2 11 LEU HB2 2 12 VAL H 4.300 . 4.800 3.770 3.547 3.994 . 0 0 "[ . 1 . 2]" 1
333 2 11 LEU HB3 2 12 VAL H 4.300 . 4.800 2.581 2.438 2.756 . 0 0 "[ . 1 . 2]" 1
334 2 11 LEU MD1 2 12 VAL H 5.940 . 6.440 4.224 3.278 4.641 . 0 0 "[ . 1 . 2]" 1
335 2 11 LEU MD2 2 12 VAL H 6.440 . 6.940 4.010 3.336 4.726 . 0 0 "[ . 1 . 2]" 1
336 2 11 LEU HG 2 12 VAL H 5.170 . 5.670 4.687 3.716 5.089 . 0 0 "[ . 1 . 2]" 1
337 2 12 VAL CB 2 12 VAL H 3.180 . 3.680 2.590 2.545 2.617 . 0 0 "[ . 1 . 2]" 1
338 2 12 VAL CB 2 13 GLU H 4.000 . 4.500 3.093 3.024 3.164 . 0 0 "[ . 1 . 2]" 1
339 2 12 VAL CB 2 13 GLU HA 5.800 . 6.300 4.697 4.597 4.758 . 0 0 "[ . 1 . 2]" 1
340 2 12 VAL CB 2 14 ALA H 5.580 . 6.080 5.268 5.093 5.349 . 0 0 "[ . 1 . 2]" 1
341 2 12 VAL CB 2 15 LEU H 5.340 . 5.840 5.240 5.095 5.350 . 0 0 "[ . 1 . 2]" 1
342 2 12 VAL CB 2 16 TYR H 5.310 . 5.810 5.332 5.201 5.393 . 0 0 "[ . 1 . 2]" 1
343 2 12 VAL CB 2 16 TYR QB 6.480 . 6.980 5.303 4.785 5.482 . 0 0 "[ . 1 . 2]" 1
344 2 12 VAL CB 2 16 TYR QD 5.660 . 6.160 4.379 4.015 5.134 . 0 0 "[ . 1 . 2]" 1
345 2 12 VAL CB 2 24 PHE QE 4.560 . 5.060 3.905 3.628 4.122 . 0 0 "[ . 1 . 2]" 1
346 2 12 VAL H 2 12 VAL HB 3.330 . 3.830 2.526 2.391 2.608 . 0 0 "[ . 1 . 2]" 1
347 2 12 VAL H 2 13 GLU H 3.570 . 4.070 2.845 2.742 2.907 . 0 0 "[ . 1 . 2]" 1
348 2 12 VAL H 2 14 ALA H 4.490 . 4.990 4.254 4.101 4.373 . 0 0 "[ . 1 . 2]" 1
349 2 12 VAL HA 2 14 ALA H 4.930 . 5.430 4.543 4.286 4.733 . 0 0 "[ . 1 . 2]" 1
350 2 12 VAL HA 2 15 LEU CG 4.070 . 4.570 3.128 2.837 3.297 . 0 0 "[ . 1 . 2]" 1
351 2 12 VAL HA 2 15 LEU H 4.370 . 4.870 3.511 3.331 3.681 . 0 0 "[ . 1 . 2]" 1
352 2 12 VAL HA 2 15 LEU QB 4.790 . 5.290 3.925 3.355 4.292 . 0 0 "[ . 1 . 2]" 1
353 2 12 VAL HA 2 15 LEU HG 3.840 . 4.340 2.382 2.126 2.655 . 0 0 "[ . 1 . 2]" 1
354 2 12 VAL HA 2 16 TYR H 4.210 . 4.710 4.039 3.900 4.223 . 0 0 "[ . 1 . 2]" 1
355 2 12 VAL HA 2 24 PHE QE 5.700 . 6.200 3.661 2.872 4.279 . 0 0 "[ . 1 . 2]" 1
356 2 12 VAL HB 2 13 GLU H 3.290 . 3.790 2.624 2.526 2.726 . 0 0 "[ . 1 . 2]" 1
357 2 12 VAL MG1 2 24 PHE QE 6.670 . 7.170 2.514 2.234 3.958 . 0 0 "[ . 1 . 2]" 1
358 2 12 VAL MG2 2 24 PHE QE 6.670 . 7.170 2.563 2.276 3.065 . 0 0 "[ . 1 . 2]" 1
359 2 13 GLU H 2 13 GLU HB2 3.510 . 4.010 2.454 2.372 2.498 . 0 0 "[ . 1 . 2]" 1
360 2 13 GLU H 2 13 GLU QB 3.370 . 3.870 2.225 2.194 2.263 . 0 0 "[ . 1 . 2]" 1
361 2 13 GLU H 2 13 GLU HB3 3.510 . 4.010 2.549 2.505 2.635 . 0 0 "[ . 1 . 2]" 1
362 2 13 GLU H 2 13 GLU QG 4.640 . 5.140 3.984 3.973 4.048 . 0 0 "[ . 1 . 2]" 1
363 2 13 GLU H 2 14 ALA H 3.450 . 3.950 2.879 2.827 2.935 . 0 0 "[ . 1 . 2]" 1
364 2 13 GLU H 2 14 ALA MB 6.270 . 6.770 4.500 4.446 4.574 . 0 0 "[ . 1 . 2]" 1
365 2 13 GLU H 2 15 LEU CG 6.440 . 6.940 6.065 5.761 6.208 . 0 0 "[ . 1 . 2]" 1
366 2 13 GLU HA 2 16 TYR H 3.950 . 4.450 3.588 3.314 3.814 . 0 0 "[ . 1 . 2]" 1
367 2 13 GLU HA 2 16 TYR QB 3.680 . 4.180 2.584 2.239 2.873 . 0 0 "[ . 1 . 2]" 1
368 2 13 GLU HA 2 16 TYR QD 5.880 . 6.380 4.003 3.120 4.606 . 0 0 "[ . 1 . 2]" 1
369 2 13 GLU QB 2 14 ALA H 3.850 . 4.350 2.640 2.506 2.803 . 0 0 "[ . 1 . 2]" 1
370 2 13 GLU HB2 2 14 ALA H 4.110 . 4.610 3.968 3.849 4.071 . 0 0 "[ . 1 . 2]" 1
371 2 13 GLU HB3 2 14 ALA H 4.110 . 4.610 2.681 2.539 2.859 . 0 0 "[ . 1 . 2]" 1
372 2 13 GLU QG 2 14 ALA H 5.440 . 5.940 3.686 3.574 3.885 . 0 0 "[ . 1 . 2]" 1
373 2 13 GLU QG 2 17 LEU CG 5.050 . 5.550 3.783 3.300 4.548 . 0 0 "[ . 1 . 2]" 1
374 2 14 ALA H 2 15 LEU H 3.550 . 4.050 2.876 2.804 2.976 . 0 0 "[ . 1 . 2]" 1
375 2 14 ALA H 2 16 TYR H 4.510 . 5.010 4.250 4.126 4.359 . 0 0 "[ . 1 . 2]" 1
376 2 14 ALA HA 2 17 LEU QB 4.050 . 4.550 2.518 2.291 2.959 . 0 0 "[ . 1 . 2]" 1
377 2 14 ALA HA 2 18 VAL H 4.650 . 5.150 3.980 3.753 4.215 . 0 0 "[ . 1 . 2]" 1
378 2 14 ALA MB 2 15 LEU H 4.250 . 4.750 2.656 2.541 2.749 . 0 0 "[ . 1 . 2]" 1
379 2 14 ALA MB 2 16 TYR H 5.550 . 6.050 4.606 4.531 4.675 . 0 0 "[ . 1 . 2]" 1
380 2 14 ALA MB 2 18 VAL H 5.550 . 6.050 4.567 4.426 4.677 . 0 0 "[ . 1 . 2]" 1
381 2 15 LEU CG 2 15 LEU H 3.860 . 4.360 3.045 2.694 3.292 . 0 0 "[ . 1 . 2]" 1
382 2 15 LEU CG 2 16 TYR H 5.040 . 5.540 3.348 3.167 3.941 . 0 0 "[ . 1 . 2]" 1
383 2 15 LEU CG 2 19 CYS H 6.440 . 6.940 6.066 5.700 6.506 . 0 0 "[ . 1 . 2]" 1
384 2 15 LEU CG 2 24 PHE QD 5.580 . 6.080 4.386 3.100 5.060 . 0 0 "[ . 1 . 2]" 1
385 2 15 LEU CG 2 24 PHE QE 5.230 . 5.730 4.265 3.233 4.728 . 0 0 "[ . 1 . 2]" 1
386 2 15 LEU H 2 15 LEU MD1 5.340 . 5.840 3.921 3.519 4.187 . 0 0 "[ . 1 . 2]" 1
387 2 15 LEU H 2 15 LEU MD2 5.340 . 5.840 3.284 2.625 3.516 . 0 0 "[ . 1 . 2]" 1
388 2 15 LEU H 2 15 LEU HG 3.120 . 3.620 2.538 2.023 2.993 . 0 0 "[ . 1 . 2]" 1
389 2 15 LEU H 2 16 TYR QB 4.930 . 5.430 4.415 4.334 4.443 . 0 0 "[ . 1 . 2]" 1
390 2 15 LEU H 2 18 VAL CB 7.110 . 7.610 6.181 5.866 6.591 . 0 0 "[ . 1 . 2]" 1
391 2 15 LEU HA 2 15 LEU HG 3.820 . 4.320 3.723 3.450 3.786 . 0 0 "[ . 1 . 2]" 1
392 2 15 LEU HA 2 18 VAL CB 5.180 . 5.680 3.843 3.466 4.570 . 0 0 "[ . 1 . 2]" 1
393 2 15 LEU QB 2 16 TYR H 4.750 . 5.250 3.541 2.300 3.743 . 0 0 "[ . 1 . 2]" 1
394 2 15 LEU MD1 2 24 PHE QD 7.410 . 7.910 2.676 2.008 3.490 . 0 0 "[ . 1 . 2]" 1
395 2 15 LEU MD1 2 24 PHE QE 7.280 . 7.780 3.096 2.234 4.026 . 0 0 "[ . 1 . 2]" 1
396 2 15 LEU MD2 2 24 PHE QD 8.410 . 8.910 3.508 2.189 5.512 . 0 0 "[ . 1 . 2]" 1
397 2 15 LEU MD2 2 24 PHE QE 7.280 . 7.780 2.855 2.229 4.802 . 0 0 "[ . 1 . 2]" 1
398 2 15 LEU HG 2 16 TYR H 3.580 . 4.080 2.706 2.358 3.708 . 0 0 "[ . 1 . 2]" 1
399 2 15 LEU HG 2 16 TYR QB 6.170 . 6.670 4.236 3.371 5.358 . 0 0 "[ . 1 . 2]" 1
400 2 16 TYR H 2 16 TYR QB 3.390 . 3.890 2.150 2.070 2.223 . 0 0 "[ . 1 . 2]" 1
401 2 16 TYR H 2 16 TYR QD 4.820 . 5.320 2.962 2.424 3.981 . 0 0 "[ . 1 . 2]" 1
402 2 16 TYR H 2 17 LEU H 3.510 . 4.010 2.756 2.653 2.899 . 0 0 "[ . 1 . 2]" 1
403 2 16 TYR H 2 17 LEU QB 5.990 . 6.490 4.587 4.281 4.838 . 0 0 "[ . 1 . 2]" 1
404 2 16 TYR H 2 19 CYS H 4.910 . 5.410 4.847 4.657 4.972 . 0 0 "[ . 1 . 2]" 1
405 2 16 TYR HA 2 16 TYR QD 4.110 . 4.610 2.906 2.414 3.092 . 0 0 "[ . 1 . 2]" 1
406 2 16 TYR HA 2 18 VAL H 4.670 . 5.170 4.604 4.357 4.721 . 0 0 "[ . 1 . 2]" 1
407 2 16 TYR HA 2 19 CYS H 4.360 . 4.860 3.722 3.299 4.317 . 0 0 "[ . 1 . 2]" 1
408 2 16 TYR QB 2 17 LEU H 3.830 . 4.330 2.806 2.497 3.328 . 0 0 "[ . 1 . 2]" 1
409 2 16 TYR QB 2 17 LEU QB 6.730 . 7.230 4.326 3.706 4.685 . 0 0 "[ . 1 . 2]" 1
410 2 16 TYR QB 2 18 VAL H 5.750 . 6.250 4.911 4.703 5.154 . 0 0 "[ . 1 . 2]" 1
411 2 16 TYR QD 2 17 LEU HA 6.380 . 6.880 5.430 3.936 5.762 . 0 0 "[ . 1 . 2]" 1
412 2 17 LEU H 2 17 LEU HB2 3.610 . 4.110 2.304 2.130 2.406 . 0 0 "[ . 1 . 2]" 1
413 2 17 LEU H 2 17 LEU QB 3.430 . 3.930 2.245 2.110 2.351 . 0 0 "[ . 1 . 2]" 1
414 2 17 LEU H 2 17 LEU HB3 3.610 . 4.110 3.380 2.427 3.633 . 0 0 "[ . 1 . 2]" 1
415 2 17 LEU H 2 18 VAL CB 5.540 . 6.040 5.280 4.761 5.556 . 0 0 "[ . 1 . 2]" 1
416 2 17 LEU H 2 18 VAL H 4.030 . 4.530 2.707 2.191 2.955 . 0 0 "[ . 1 . 2]" 1
417 2 17 LEU H 2 19 CYS H 4.600 . 5.100 4.191 3.710 4.446 . 0 0 "[ . 1 . 2]" 1
418 2 17 LEU HA 2 19 CYS H 4.800 . 5.300 4.551 4.218 4.845 . 0 0 "[ . 1 . 2]" 1
419 2 17 LEU QB 2 18 VAL H 4.000 . 4.500 2.728 2.627 2.878 . 0 0 "[ . 1 . 2]" 1
420 2 17 LEU QB 2 18 VAL HA 4.950 . 5.450 4.077 3.917 4.426 . 0 0 "[ . 1 . 2]" 1
421 2 17 LEU QB 2 19 CYS H 5.800 . 6.300 4.828 4.663 4.998 . 0 0 "[ . 1 . 2]" 1
422 2 17 LEU HB2 2 18 VAL H 4.200 . 4.700 3.039 2.727 4.071 . 0 0 "[ . 1 . 2]" 1
423 2 17 LEU HB3 2 18 VAL H 4.200 . 4.700 3.390 2.667 3.664 . 0 0 "[ . 1 . 2]" 1
424 2 18 VAL CB 2 18 VAL H 3.150 . 3.650 2.600 2.543 2.646 . 0 0 "[ . 1 . 2]" 1
425 2 18 VAL CB 2 19 CYS H 3.770 . 4.270 3.289 3.145 3.424 . 0 0 "[ . 1 . 2]" 1
426 2 18 VAL CB 2 19 CYS HA 5.210 . 5.710 4.805 4.618 4.980 . 0 0 "[ . 1 . 2]" 1
427 2 18 VAL CB 2 20 GLY H 5.350 . 5.850 5.074 4.765 5.386 . 0 0 "[ . 1 . 2]" 1
428 2 18 VAL H 2 18 VAL HB 3.170 . 3.670 2.442 2.315 2.585 . 0 0 "[ . 1 . 2]" 1
429 2 18 VAL H 2 19 CYS H 3.450 . 3.950 2.661 2.385 2.800 . 0 0 "[ . 1 . 2]" 1
430 2 18 VAL H 2 19 CYS QB 5.990 . 6.490 4.597 4.298 4.920 . 0 0 "[ . 1 . 2]" 1
431 2 18 VAL H 2 20 GLY H 4.390 . 4.890 4.052 3.461 4.404 . 0 0 "[ . 1 . 2]" 1
432 2 18 VAL HA 2 19 CYS HA 4.970 . 5.470 4.679 4.612 4.842 . 0 0 "[ . 1 . 2]" 1
433 2 18 VAL HB 2 19 CYS H 4.560 . 5.060 3.190 2.741 4.127 . 0 0 "[ . 1 . 2]" 1
434 2 18 VAL MG1 2 19 CYS H 5.420 . 5.920 3.240 2.435 3.740 . 0 0 "[ . 1 . 2]" 1
435 2 18 VAL MG1 2 20 GLY H 6.610 . 7.110 4.860 4.472 5.255 . 0 0 "[ . 1 . 2]" 1
436 2 18 VAL MG2 2 19 CYS H 5.420 . 5.920 4.078 3.921 4.178 . 0 0 "[ . 1 . 2]" 1
437 2 18 VAL MG2 2 20 GLY H 7.110 . 7.610 5.306 4.721 5.678 . 0 0 "[ . 1 . 2]" 1
438 2 19 CYS H 2 19 CYS HB2 3.880 . 4.380 2.549 2.235 3.610 . 0 0 "[ . 1 . 2]" 1
439 2 19 CYS H 2 19 CYS QB 3.560 . 4.060 2.339 2.126 2.537 . 0 0 "[ . 1 . 2]" 1
440 2 19 CYS H 2 19 CYS HB3 3.880 . 4.380 3.093 2.452 3.677 . 0 0 "[ . 1 . 2]" 1
441 2 19 CYS H 2 20 GLY H 3.440 . 3.940 2.558 2.105 2.857 . 0 0 "[ . 1 . 2]" 1
442 2 19 CYS H 2 20 GLY QA 5.790 . 6.290 4.449 4.088 4.751 . 0 0 "[ . 1 . 2]" 1
443 2 19 CYS QB 2 20 GLY H 4.130 . 4.630 3.388 2.789 3.736 . 0 0 "[ . 1 . 2]" 1
444 2 19 CYS QB 2 22 ARG H 5.770 . 6.270 4.122 3.027 5.149 . 0 0 "[ . 1 . 2]" 1
445 2 19 CYS QB 2 23 GLY H 5.170 . 5.670 3.901 2.465 4.630 . 0 0 "[ . 1 . 2]" 1
446 2 19 CYS HB2 2 20 GLY H 4.430 . 4.930 3.941 2.861 4.454 . 0 0 "[ . 1 . 2]" 1
447 2 19 CYS HB3 2 20 GLY H 4.430 . 4.930 3.896 2.949 4.459 . 0 0 "[ . 1 . 2]" 1
448 2 20 GLY QA 2 21 GLU H 3.590 . 4.090 2.166 2.101 2.257 . 0 0 "[ . 1 . 2]" 1
449 2 21 GLU H 2 21 GLU HB2 4.030 . 4.530 3.138 2.234 3.722 . 0 0 "[ . 1 . 2]" 1
450 2 21 GLU H 2 21 GLU QB 3.600 . 4.100 2.468 2.079 2.775 . 0 0 "[ . 1 . 2]" 1
451 2 21 GLU H 2 21 GLU HB3 4.030 . 4.530 2.868 2.450 3.873 . 0 0 "[ . 1 . 2]" 1
452 2 21 GLU H 2 21 GLU HG2 4.820 . 5.320 2.969 2.076 4.542 . 0 0 "[ . 1 . 2]" 1
453 2 21 GLU H 2 21 GLU QG 4.610 . 5.110 2.554 2.020 3.935 . 0 0 "[ . 1 . 2]" 1
454 2 21 GLU H 2 21 GLU HG3 4.820 . 5.320 3.335 2.032 4.342 . 0 0 "[ . 1 . 2]" 1
455 2 21 GLU H 2 22 ARG H 3.270 . 3.770 2.765 1.971 3.278 . 0 0 "[ . 1 . 2]" 1
456 2 21 GLU HA 2 22 ARG H 3.510 . 4.010 3.361 2.754 3.517 . 0 0 "[ . 1 . 2]" 1
457 2 21 GLU HB2 2 22 ARG H 4.440 . 4.940 4.084 3.240 4.422 . 0 0 "[ . 1 . 2]" 1
458 2 21 GLU HB3 2 22 ARG H 4.440 . 4.940 4.182 3.041 4.557 . 0 0 "[ . 1 . 2]" 1
459 2 21 GLU QG 2 22 ARG H 5.290 . 5.790 3.590 2.617 4.511 . 0 0 "[ . 1 . 2]" 1
460 2 21 GLU HG2 2 22 ARG H 5.500 . 6.000 4.035 2.899 5.309 . 0 0 "[ . 1 . 2]" 1
461 2 21 GLU HG3 2 22 ARG H 5.500 . 6.000 4.232 2.980 5.510 . 0 0 "[ . 1 . 2]" 1
462 2 22 ARG H 2 22 ARG HB2 3.680 . 4.180 2.602 2.146 3.857 . 0 0 "[ . 1 . 2]" 1
463 2 22 ARG H 2 22 ARG QB 3.450 . 3.950 2.385 2.097 3.023 . 0 0 "[ . 1 . 2]" 1
464 2 22 ARG H 2 22 ARG HB3 3.680 . 4.180 3.199 2.312 3.734 . 0 0 "[ . 1 . 2]" 1
465 2 22 ARG H 2 22 ARG QG 4.520 . 5.020 3.013 1.932 4.089 . 0 0 "[ . 1 . 2]" 1
466 2 23 GLY HA2 2 24 PHE QD 6.670 . 7.170 4.830 3.132 5.675 . 0 0 "[ . 1 . 2]" 1
467 2 23 GLY HA3 2 24 PHE QD 6.170 . 6.670 4.766 3.263 6.032 . 0 0 "[ . 1 . 2]" 1
468 2 24 PHE H 2 24 PHE QD 4.740 . 5.240 3.279 2.320 4.302 . 0 0 "[ . 1 . 2]" 1
469 2 24 PHE H 2 25 PHE H 4.910 . 5.410 4.086 1.949 4.691 . 0 0 "[ . 1 . 2]" 1
470 2 24 PHE QB 2 25 PHE H 4.270 . 4.770 2.876 2.085 3.732 . 0 0 "[ . 1 . 2]" 1
471 2 24 PHE HB2 2 25 PHE H 4.000 . 4.500 3.547 2.267 4.424 . 0 0 "[ . 1 . 2]" 1
472 2 24 PHE HB3 2 25 PHE H 4.500 . 5.000 3.298 2.182 4.077 . 0 0 "[ . 1 . 2]" 1
473 2 24 PHE QD 2 25 PHE H 4.740 . 5.240 3.617 2.573 4.299 . 0 0 "[ . 1 . 2]" 1
474 2 25 PHE H 2 25 PHE HB2 4.020 . 4.520 3.144 2.233 3.985 . 0 0 "[ . 1 . 2]" 1
475 2 25 PHE H 2 25 PHE QB 3.550 . 4.050 2.643 2.209 3.230 . 0 0 "[ . 1 . 2]" 1
476 2 25 PHE H 2 25 PHE HB3 4.020 . 4.520 3.154 2.425 3.906 . 0 0 "[ . 1 . 2]" 1
477 2 25 PHE H 2 25 PHE QD 4.830 . 5.330 3.279 2.078 4.388 . 0 0 "[ . 1 . 2]" 1
478 2 25 PHE HA 2 26 TYR H 3.400 . 3.900 2.721 2.154 3.531 . 0 0 "[ . 1 . 2]" 1
479 2 25 PHE QB 2 26 TYR H 4.560 . 5.060 3.169 1.944 4.033 . 0 0 "[ . 1 . 2]" 1
480 2 25 PHE QD 2 26 TYR H 5.190 . 5.690 3.702 2.483 4.766 . 0 0 "[ . 1 . 2]" 1
481 2 26 TYR H 2 26 TYR HB3 3.670 . 4.170 3.171 2.401 4.060 . 0 0 "[ . 1 . 2]" 1
482 2 26 TYR H 2 27 THR H 5.130 . 5.630 4.047 2.275 4.681 . 0 0 "[ . 1 . 2]" 1
483 2 26 TYR HA 2 27 THR H 3.630 . 4.130 2.575 2.184 3.528 . 0 0 "[ . 1 . 2]" 1
484 2 26 TYR HB2 2 27 THR H 4.560 . 5.060 3.812 2.690 4.575 . 0 0 "[ . 1 . 2]" 1
485 2 26 TYR HB3 2 27 THR H 4.560 . 5.060 3.686 2.187 4.600 . 0 0 "[ . 1 . 2]" 1
486 2 26 TYR QD 2 27 THR H 5.890 . 6.390 3.637 2.952 4.418 . 0 0 "[ . 1 . 2]" 1
487 2 27 THR H 2 27 THR HB 3.960 . 4.460 3.196 2.518 3.991 . 0 0 "[ . 1 . 2]" 1
488 2 27 THR H 2 28 PRO QD 5.230 . 5.730 4.242 2.682 4.506 . 0 0 "[ . 1 . 2]" 1
489 2 27 THR HA 2 28 PRO QD 3.510 . 4.010 2.075 1.986 2.226 . 0 0 "[ . 1 . 2]" 1
490 2 27 THR HB 2 28 PRO QD 4.960 . 5.460 3.467 2.169 4.453 . 0 0 "[ . 1 . 2]" 1
491 2 27 THR MG 2 28 PRO QD 5.590 . 6.090 2.989 2.093 3.902 . 0 0 "[ . 1 . 2]" 1
492 2 28 PRO HA 2 29 LYS H 3.530 . 4.030 2.426 2.147 3.520 . 0 0 "[ . 1 . 2]" 1
493 2 28 PRO QB 2 29 LYS H 4.480 . 4.980 2.985 2.705 3.721 . 0 0 "[ . 1 . 2]" 1
494 2 28 PRO QD 2 29 LYS H 5.840 . 6.340 4.622 2.522 4.970 . 0 0 "[ . 1 . 2]" 1
495 2 29 LYS H 2 29 LYS HB2 3.910 . 4.410 3.026 2.399 3.923 . 0 0 "[ . 1 . 2]" 1
496 2 29 LYS H 2 29 LYS HB3 3.910 . 4.410 3.201 2.390 3.948 . 0 0 "[ . 1 . 2]" 1
497 2 29 LYS H 2 30 THR H 4.880 . 5.380 3.984 2.031 4.663 . 0 0 "[ . 1 . 2]" 1
498 2 29 LYS HA 2 30 THR H 3.420 . 3.920 2.522 2.149 3.445 . 0 0 "[ . 1 . 2]" 1
499 2 30 THR H 2 31 ARG H 5.180 . 5.680 3.929 1.909 4.676 . 0 0 "[ . 1 . 2]" 1
500 2 30 THR MG 2 31 ARG H 5.190 . 5.690 3.629 2.958 4.377 . 0 0 "[ . 1 . 2]" 1
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