NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
511098 |
2kxk   |
16915 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kxk
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 19
_Distance_constraint_stats_list.Viol_total 9.470
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0249
_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 0.363 0.047 13 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.009 0.009 5 0 "[ . 1 . 2]"
1 10 ILE 0.009 0.009 5 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 0.461 0.098 20 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 0.003 0.003 18 0 "[ . 1 . 2]"
2 22 ARG 0.003 0.003 18 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 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 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 3.500 . 4.000 2.207 2.099 2.314 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 3 VAL H 4.430 . 4.930 3.866 3.332 3.984 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 5 GLN H 5.460 . 5.960 4.242 3.165 4.899 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 2 ILE HB 3.650 . 4.150 2.548 2.195 3.601 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 2 ILE MG 4.260 . 4.760 2.353 1.939 3.684 . 0 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 3 VAL CB 6.310 . 6.810 5.785 5.032 6.399 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE H 1 3 VAL H 3.850 . 4.350 3.161 2.178 3.736 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 4 GLU H 4.640 . 5.140 4.425 3.716 4.674 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE H 1 19 TYR QD 6.170 . 6.670 5.012 3.915 5.585 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE H 1 19 TYR QE 5.980 . 6.480 4.175 2.769 5.348 . 0 0 "[ . 1 . 2]" 1
11 1 2 ILE HB 1 3 VAL H 4.730 . 5.230 3.911 2.207 4.248 . 0 0 "[ . 1 . 2]" 1
12 1 2 ILE MD 1 16 LEU HA 6.600 . 7.100 4.963 3.396 5.544 . 0 0 "[ . 1 . 2]" 1
13 1 2 ILE MD 1 19 TYR QB 5.060 . 5.560 2.811 2.081 3.770 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE MD 1 19 TYR QD 6.350 . 6.850 2.795 2.252 3.708 . 0 0 "[ . 1 . 2]" 1
15 1 2 ILE MD 1 19 TYR QE 6.240 . 6.740 3.470 2.606 4.144 . 0 0 "[ . 1 . 2]" 1
16 1 2 ILE QG 1 19 TYR QD 6.660 . 7.160 3.630 2.747 4.603 . 0 0 "[ . 1 . 2]" 1
17 1 2 ILE QG 1 19 TYR QE 6.730 . 7.230 3.622 2.395 5.114 . 0 0 "[ . 1 . 2]" 1
18 1 2 ILE MG 1 3 VAL CB 6.240 . 6.740 3.648 3.401 4.030 . 0 0 "[ . 1 . 2]" 1
19 1 2 ILE MG 1 3 VAL H 4.130 . 4.630 2.203 1.972 2.930 . 0 0 "[ . 1 . 2]" 1
20 1 2 ILE MG 1 3 VAL HA 5.150 . 5.650 3.785 3.200 4.254 . 0 0 "[ . 1 . 2]" 1
21 1 2 ILE MG 1 3 VAL HB 7.330 . 7.830 3.948 2.765 4.741 . 0 0 "[ . 1 . 2]" 1
22 1 2 ILE MG 1 4 GLU H 5.320 . 5.820 4.226 3.415 4.529 . 0 0 "[ . 1 . 2]" 1
23 1 2 ILE MG 1 19 TYR QE 7.420 . 7.920 4.519 2.132 5.493 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL CB 1 3 VAL H 3.030 . 3.530 2.678 2.551 3.050 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL CB 1 4 GLU H 4.470 . 4.970 3.451 3.182 3.769 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL CB 1 4 GLU HA 5.350 . 5.850 4.745 4.434 5.009 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL CB 1 5 GLN H 5.440 . 5.940 5.432 5.127 5.515 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL CB 1 7 CYS QB 5.570 . 6.070 4.806 3.957 5.040 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL CB 2 11 LEU CG 5.800 . 6.300 5.464 4.871 5.816 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL H 1 19 TYR QE 6.540 . 7.040 5.618 3.082 5.920 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL HA 1 7 CYS H 4.790 . 5.290 4.735 4.405 4.852 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL HA 2 11 LEU CG 4.470 . 4.970 3.860 3.333 4.426 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL HA 2 11 LEU MD1 6.390 . 6.890 3.438 2.014 4.319 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL HA 2 11 LEU MD2 5.390 . 5.890 2.198 1.926 3.277 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL HB 2 11 LEU CG 5.760 . 6.260 5.390 4.384 5.839 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL MG1 1 4 GLU H 5.970 . 6.470 3.544 2.371 4.358 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL MG2 1 4 GLU H 5.970 . 6.470 3.204 2.187 4.085 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLU H 1 4 GLU QB 3.180 . 3.680 2.392 2.100 2.874 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLU HA 1 8 THR MG 5.030 . 5.530 3.206 2.497 4.270 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLU HA 2 11 LEU CG 7.400 . 7.900 7.473 7.394 7.589 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLU QB 1 8 THR MG 6.000 . 6.500 3.245 2.232 4.163 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLU QG 1 8 THR H 5.800 . 6.300 4.476 3.407 5.226 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLU QG 1 8 THR MG 6.150 . 6.650 2.922 2.061 4.589 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLN H 1 5 GLN HB2 3.980 . 4.480 2.491 2.196 3.581 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLN H 1 5 GLN HB3 3.480 . 3.980 3.105 2.355 3.655 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLN HA 1 5 GLN HG2 4.090 . 4.590 3.198 2.410 3.849 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLN HA 1 5 GLN HG3 4.090 . 4.590 3.171 2.427 3.826 . 0 0 "[ . 1 . 2]" 1
48 1 5 GLN HA 1 6 CYS HA 4.830 . 5.330 4.664 4.526 4.755 . 0 0 "[ . 1 . 2]" 1
49 1 5 GLN QB 1 6 CYS H 3.760 . 4.260 2.853 2.457 3.456 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLN QB 1 9 SER QB 6.530 . 7.030 4.525 3.863 5.156 . 0 0 "[ . 1 . 2]" 1
51 1 6 CYS H 1 6 CYS QB 3.630 . 4.130 2.403 2.197 2.574 . 0 0 "[ . 1 . 2]" 1
52 1 6 CYS H 1 8 THR MG 6.580 . 7.080 5.188 4.438 5.537 . 0 0 "[ . 1 . 2]" 1
53 1 6 CYS H 2 11 LEU CG 5.890 . 6.390 5.346 4.854 5.907 . 0 0 "[ . 1 . 2]" 1
54 1 6 CYS HA 2 11 LEU CG 6.840 . 7.340 6.412 6.031 6.848 . 0 0 "[ . 1 . 2]" 1
55 1 6 CYS QB 1 7 CYS H 4.360 . 4.860 3.196 2.903 3.465 . 0 0 "[ . 1 . 2]" 1
56 1 6 CYS QB 2 11 LEU CG 4.560 . 5.060 3.389 3.004 3.824 . 0 0 "[ . 1 . 2]" 1
57 1 7 CYS H 1 7 CYS HB2 3.620 . 4.120 2.691 2.474 2.930 . 0 0 "[ . 1 . 2]" 1
58 1 7 CYS H 1 7 CYS QB 3.400 . 3.900 2.276 2.192 2.443 . 0 0 "[ . 1 . 2]" 1
59 1 7 CYS H 1 7 CYS HB3 3.620 . 4.120 2.463 2.326 2.616 . 0 0 "[ . 1 . 2]" 1
60 1 7 CYS H 1 8 THR H 3.320 . 3.820 2.403 2.236 2.621 . 0 0 "[ . 1 . 2]" 1
61 1 7 CYS H 1 8 THR MG 5.610 . 6.110 4.051 3.786 4.272 . 0 0 "[ . 1 . 2]" 1
62 1 7 CYS H 2 11 LEU CG 5.890 . 6.390 5.765 5.454 5.934 . 0 0 "[ . 1 . 2]" 1
63 1 7 CYS HA 2 6 LEU H 3.680 . 4.180 3.071 2.691 3.586 . 0 0 "[ . 1 . 2]" 1
64 1 7 CYS QB 1 8 THR H 4.500 . 5.000 2.779 2.396 3.150 . 0 0 "[ . 1 . 2]" 1
65 1 7 CYS QB 1 8 THR MG 6.240 . 6.740 3.562 2.814 4.509 . 0 0 "[ . 1 . 2]" 1
66 1 7 CYS QB 2 11 LEU CG 5.890 . 6.390 5.056 4.379 5.294 . 0 0 "[ . 1 . 2]" 1
67 1 7 CYS HB2 2 7 CYS HA 4.350 . 4.850 2.648 2.408 2.807 . 0 0 "[ . 1 . 2]" 1
68 1 7 CYS HB3 2 7 CYS HA 3.850 . 4.350 4.332 4.067 4.397 0.047 13 0 "[ . 1 . 2]" 1
69 1 8 THR H 1 8 THR HB 3.760 . 4.260 3.263 2.451 3.764 . 0 0 "[ . 1 . 2]" 1
70 1 8 THR H 1 9 SER H 4.010 . 4.510 2.362 1.968 2.560 . 0 0 "[ . 1 . 2]" 1
71 1 8 THR H 1 9 SER QB 5.460 . 5.960 4.459 3.913 4.927 . 0 0 "[ . 1 . 2]" 1
72 1 8 THR HB 1 9 SER H 4.590 . 5.090 4.134 4.037 4.298 . 0 0 "[ . 1 . 2]" 1
73 1 8 THR MG 1 9 SER H 5.090 . 5.590 3.429 2.235 4.185 . 0 0 "[ . 1 . 2]" 1
74 1 8 THR MG 1 9 SER HA 7.610 . 8.110 5.010 3.900 5.807 . 0 0 "[ . 1 . 2]" 1
75 1 8 THR MG 1 9 SER QB 7.200 . 7.700 4.202 2.593 5.368 . 0 0 "[ . 1 . 2]" 1
76 1 9 SER H 1 9 SER HB2 4.000 . 4.500 3.011 2.389 3.994 . 0 0 "[ . 1 . 2]" 1
77 1 9 SER H 1 9 SER HB3 4.000 . 4.500 3.327 2.966 3.875 . 0 0 "[ . 1 . 2]" 1
78 1 9 SER H 1 10 ILE H 4.740 . 5.240 4.416 4.297 4.564 . 0 0 "[ . 1 . 2]" 1
79 1 9 SER HA 1 10 ILE H 3.560 . 4.060 2.556 2.398 2.700 . 0 0 "[ . 1 . 2]" 1
80 1 9 SER QB 1 10 ILE H 3.240 . 3.740 2.638 2.033 2.948 . 0 0 "[ . 1 . 2]" 1
81 1 9 SER HB2 1 10 ILE H 3.360 . 3.860 3.602 2.046 3.869 0.009 5 0 "[ . 1 . 2]" 1
82 1 9 SER HB3 1 10 ILE H 3.860 . 4.360 2.794 2.198 3.555 . 0 0 "[ . 1 . 2]" 1
83 1 10 ILE H 1 10 ILE HB 4.040 . 4.540 3.649 2.838 3.750 . 0 0 "[ . 1 . 2]" 1
84 1 10 ILE H 1 10 ILE MD 5.070 . 5.570 3.610 1.842 3.887 . 0 0 "[ . 1 . 2]" 1
85 1 10 ILE H 1 11 CYS H 5.500 . 6.000 4.548 2.550 4.707 . 0 0 "[ . 1 . 2]" 1
86 1 10 ILE HA 1 11 CYS H 3.520 . 4.020 2.299 2.152 3.408 . 0 0 "[ . 1 . 2]" 1
87 1 10 ILE HB 1 11 CYS H 4.500 . 5.000 2.889 2.624 3.971 . 0 0 "[ . 1 . 2]" 1
88 1 10 ILE MD 1 11 CYS H 6.410 . 6.910 4.572 3.425 5.113 . 0 0 "[ . 1 . 2]" 1
89 1 10 ILE MD 2 3 ASN HA 5.960 . 6.460 2.986 2.159 4.387 . 0 0 "[ . 1 . 2]" 1
90 1 10 ILE MD 2 4 GLN H 5.840 . 6.340 4.377 3.553 4.930 . 0 0 "[ . 1 . 2]" 1
91 1 10 ILE MG 1 11 CYS H 4.780 . 5.280 3.625 2.299 4.065 . 0 0 "[ . 1 . 2]" 1
92 1 10 ILE MG 2 3 ASN H 6.610 . 7.110 4.903 3.776 5.536 . 0 0 "[ . 1 . 2]" 1
93 1 10 ILE MG 2 3 ASN HA 6.610 . 7.110 2.861 2.107 4.830 . 0 0 "[ . 1 . 2]" 1
94 1 10 ILE MG 2 3 ASN HB2 5.700 . 6.200 3.804 2.711 4.458 . 0 0 "[ . 1 . 2]" 1
95 1 10 ILE MG 2 3 ASN QB 5.530 . 6.030 3.215 2.363 3.970 . 0 0 "[ . 1 . 2]" 1
96 1 10 ILE MG 2 3 ASN HB3 5.700 . 6.200 3.863 2.388 4.796 . 0 0 "[ . 1 . 2]" 1
97 1 10 ILE MG 2 4 GLN H 5.280 . 5.780 3.370 2.455 4.090 . 0 0 "[ . 1 . 2]" 1
98 1 10 ILE MG 2 4 GLN QB 6.550 . 7.050 4.404 3.969 4.875 . 0 0 "[ . 1 . 2]" 1
99 1 10 ILE MG 2 4 GLN QG 6.730 . 7.230 4.676 4.265 5.010 . 0 0 "[ . 1 . 2]" 1
100 1 10 ILE MG 2 5 HIS H 6.450 . 6.950 3.871 2.987 4.647 . 0 0 "[ . 1 . 2]" 1
101 1 10 ILE MG 2 5 HIS HA 5.820 . 6.320 3.942 3.333 4.381 . 0 0 "[ . 1 . 2]" 1
102 1 10 ILE MG 2 5 HIS HD2 6.610 . 7.110 3.211 2.186 5.494 . 0 0 "[ . 1 . 2]" 1
103 1 10 ILE MG 2 5 HIS HE1 6.610 . 7.110 4.036 2.520 5.300 . 0 0 "[ . 1 . 2]" 1
104 1 11 CYS H 1 12 SER HA 5.800 . 6.300 5.144 4.899 5.839 . 0 0 "[ . 1 . 2]" 1
105 1 11 CYS HA 1 12 SER HA 4.560 . 5.060 4.500 4.359 4.607 . 0 0 "[ . 1 . 2]" 1
106 1 11 CYS QB 1 12 SER HA 5.130 . 5.630 4.323 3.754 4.627 . 0 0 "[ . 1 . 2]" 1
107 1 12 SER H 1 12 SER QB 3.640 . 4.140 2.770 2.419 3.053 . 0 0 "[ . 1 . 2]" 1
108 1 12 SER H 1 14 TYR H 4.910 . 5.410 4.776 4.290 4.983 . 0 0 "[ . 1 . 2]" 1
109 1 12 SER HA 1 14 TYR H 5.120 . 5.620 4.349 3.888 4.799 . 0 0 "[ . 1 . 2]" 1
110 1 12 SER HA 1 15 GLN H 5.090 . 5.590 4.663 4.473 4.879 . 0 0 "[ . 1 . 2]" 1
111 1 12 SER HA 1 15 GLN QB 5.440 . 5.940 4.744 4.476 4.894 . 0 0 "[ . 1 . 2]" 1
112 1 12 SER HA 1 16 LEU H 5.480 . 5.980 5.272 4.922 5.504 . 0 0 "[ . 1 . 2]" 1
113 1 12 SER QB 1 13 LEU H 4.460 . 4.960 2.712 2.281 3.599 . 0 0 "[ . 1 . 2]" 1
114 1 12 SER QB 1 14 TYR H 4.410 . 4.910 2.919 2.458 3.492 . 0 0 "[ . 1 . 2]" 1
115 1 12 SER QB 1 14 TYR QD 6.730 . 7.230 3.053 2.444 4.007 . 0 0 "[ . 1 . 2]" 1
116 1 12 SER QB 1 15 GLN H 5.150 . 5.650 3.479 2.469 4.140 . 0 0 "[ . 1 . 2]" 1
117 1 12 SER QB 2 1 PHE QD 5.830 . 6.330 3.580 2.255 4.630 . 0 0 "[ . 1 . 2]" 1
118 1 13 LEU CG 1 13 LEU H 3.900 . 4.400 3.005 2.608 3.966 . 0 0 "[ . 1 . 2]" 1
119 1 13 LEU CG 1 14 TYR H 4.520 . 5.020 4.009 3.118 4.586 . 0 0 "[ . 1 . 2]" 1
120 1 13 LEU CG 1 15 GLN H 8.440 . 8.940 6.034 5.471 6.463 . 0 0 "[ . 1 . 2]" 1
121 1 13 LEU H 1 13 LEU HB2 3.720 . 4.220 2.858 2.317 3.615 . 0 0 "[ . 1 . 2]" 1
122 1 13 LEU H 1 13 LEU QB 3.370 . 3.870 2.394 2.105 2.605 . 0 0 "[ . 1 . 2]" 1
123 1 13 LEU H 1 13 LEU HB3 3.720 . 4.220 3.109 2.359 3.611 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU H 1 13 LEU MD1 5.420 . 5.920 3.082 1.926 4.101 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU H 1 13 LEU MD2 5.420 . 5.920 3.040 1.955 4.190 . 0 0 "[ . 1 . 2]" 1
126 1 13 LEU H 1 14 TYR H 3.800 . 4.300 2.820 2.645 3.024 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU H 1 14 TYR QD 6.170 . 6.670 4.393 3.542 5.052 . 0 0 "[ . 1 . 2]" 1
128 1 13 LEU H 1 15 GLN H 4.470 . 4.970 4.329 4.152 4.475 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU H 1 16 LEU H 5.070 . 5.570 4.806 4.669 4.938 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU H 1 16 LEU QB 5.830 . 6.330 4.881 4.464 5.098 . 0 0 "[ . 1 . 2]" 1
131 1 13 LEU HA 1 14 TYR H 3.550 . 4.050 3.552 3.512 3.577 . 0 0 "[ . 1 . 2]" 1
132 1 13 LEU HA 1 16 LEU H 3.780 . 4.280 3.236 3.045 3.462 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU HA 1 16 LEU QB 3.840 . 4.340 2.383 2.241 2.606 . 0 0 "[ . 1 . 2]" 1
134 1 13 LEU HA 1 16 LEU HG 3.890 . 4.390 3.719 3.062 3.926 . 0 0 "[ . 1 . 2]" 1
135 1 13 LEU HA 1 17 GLU H 4.650 . 5.150 3.949 3.596 4.194 . 0 0 "[ . 1 . 2]" 1
136 1 13 LEU HA 2 18 VAL CB 4.320 . 4.820 4.297 3.970 4.412 . 0 0 "[ . 1 . 2]" 1
137 1 13 LEU HA 2 18 VAL MG1 5.770 . 6.270 2.970 2.462 3.388 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU HA 2 18 VAL MG2 4.770 . 5.270 2.477 2.286 2.729 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU QB 1 14 TYR H 5.130 . 5.630 3.016 2.509 3.707 . 0 0 "[ . 1 . 2]" 1
140 1 13 LEU QB 1 14 TYR QD 6.090 . 6.590 4.083 3.124 4.703 . 0 0 "[ . 1 . 2]" 1
141 1 13 LEU QB 1 16 LEU H 5.420 . 5.920 4.732 4.594 4.878 . 0 0 "[ . 1 . 2]" 1
142 1 13 LEU QB 1 17 GLU H 5.990 . 6.490 4.554 4.315 5.058 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU QB 1 17 GLU QB 6.870 . 7.370 5.008 4.502 5.499 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU QB 2 18 VAL CB 5.660 . 6.160 4.296 3.558 5.060 . 0 0 "[ . 1 . 2]" 1
145 1 13 LEU HB2 1 14 TYR H 5.300 . 5.800 3.286 2.548 4.167 . 0 0 "[ . 1 . 2]" 1
146 1 13 LEU HB2 1 14 TYR QD 6.170 . 6.670 4.381 3.171 5.419 . 0 0 "[ . 1 . 2]" 1
147 1 13 LEU HB2 1 16 LEU H 5.500 . 6.000 5.345 4.932 5.536 . 0 0 "[ . 1 . 2]" 1
148 1 13 LEU HB3 1 14 TYR H 4.300 . 4.800 3.774 2.607 4.154 . 0 0 "[ . 1 . 2]" 1
149 1 13 LEU HB3 1 14 TYR QD 6.170 . 6.670 5.081 4.003 5.563 . 0 0 "[ . 1 . 2]" 1
150 1 13 LEU HB3 1 16 LEU H 5.500 . 6.000 5.322 5.094 5.550 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU MD1 1 14 TYR H 9.610 . 10.110 4.306 4.034 4.771 . 0 0 "[ . 1 . 2]" 1
152 1 13 LEU MD1 1 14 TYR QD 7.410 . 7.910 4.626 3.958 5.213 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU MD2 1 14 TYR H 6.610 . 7.110 3.723 1.980 4.822 . 0 0 "[ . 1 . 2]" 1
154 1 13 LEU MD2 1 14 TYR QD 7.410 . 7.910 4.503 3.102 5.540 . 0 0 "[ . 1 . 2]" 1
155 1 14 TYR H 1 14 TYR QD 4.460 . 4.960 2.725 2.190 3.154 . 0 0 "[ . 1 . 2]" 1
156 1 14 TYR H 1 16 LEU H 4.250 . 4.750 4.074 3.811 4.239 . 0 0 "[ . 1 . 2]" 1
157 1 14 TYR H 1 16 LEU QB 5.990 . 6.490 4.943 4.732 5.095 . 0 0 "[ . 1 . 2]" 1
158 1 14 TYR HA 1 14 TYR QD 3.840 . 4.340 2.543 2.262 2.995 . 0 0 "[ . 1 . 2]" 1
159 1 14 TYR HA 1 14 TYR QE 5.660 . 6.160 4.624 4.571 4.729 . 0 0 "[ . 1 . 2]" 1
160 1 14 TYR HA 1 17 GLU QB 4.230 . 4.730 2.726 2.142 3.351 . 0 0 "[ . 1 . 2]" 1
161 1 14 TYR HA 1 17 GLU QG 4.570 . 5.070 3.595 3.150 4.083 . 0 0 "[ . 1 . 2]" 1
162 1 14 TYR QB 1 15 GLN H 3.880 . 4.380 2.868 2.686 3.060 . 0 0 "[ . 1 . 2]" 1
163 1 14 TYR QB 1 15 GLN HA 4.790 . 5.290 4.194 4.119 4.285 . 0 0 "[ . 1 . 2]" 1
164 1 14 TYR QB 1 16 LEU H 5.810 . 6.310 4.831 4.678 5.012 . 0 0 "[ . 1 . 2]" 1
165 1 14 TYR QD 1 15 GLN H 5.330 . 5.830 4.313 3.977 4.573 . 0 0 "[ . 1 . 2]" 1
166 1 14 TYR QD 1 15 GLN QG 6.730 . 7.230 4.848 4.561 5.348 . 0 0 "[ . 1 . 2]" 1
167 1 15 GLN H 1 15 GLN HB2 4.000 . 4.500 2.420 2.304 2.538 . 0 0 "[ . 1 . 2]" 1
168 1 15 GLN H 1 15 GLN HB3 4.000 . 4.500 3.628 3.559 3.688 . 0 0 "[ . 1 . 2]" 1
169 1 15 GLN H 1 15 GLN QE 5.990 . 6.490 4.865 4.056 5.193 . 0 0 "[ . 1 . 2]" 1
170 1 15 GLN H 1 15 GLN HG2 4.370 . 4.870 3.393 2.441 3.976 . 0 0 "[ . 1 . 2]" 1
171 1 15 GLN H 1 15 GLN QG 4.280 . 4.780 2.581 2.414 2.865 . 0 0 "[ . 1 . 2]" 1
172 1 15 GLN H 1 15 GLN HG3 4.370 . 4.870 3.066 2.513 4.052 . 0 0 "[ . 1 . 2]" 1
173 1 15 GLN H 1 16 LEU CG 5.440 . 5.940 5.249 4.885 5.469 . 0 0 "[ . 1 . 2]" 1
174 1 15 GLN H 1 16 LEU H 3.260 . 3.760 2.436 2.192 2.621 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLN H 1 16 LEU QB 5.310 . 5.810 4.382 4.148 4.588 . 0 0 "[ . 1 . 2]" 1
176 1 15 GLN H 1 17 GLU H 4.320 . 4.820 4.058 3.797 4.334 . 0 0 "[ . 1 . 2]" 1
177 1 15 GLN H 2 18 VAL CB 8.440 . 8.940 7.760 7.446 7.987 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLN HA 1 15 GLN QG 3.720 . 4.220 2.586 2.313 3.073 . 0 0 "[ . 1 . 2]" 1
179 1 15 GLN HA 1 17 GLU H 5.020 . 5.520 4.491 4.208 4.755 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLN HA 1 18 ASN HB2 3.900 . 4.400 3.074 2.267 3.703 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLN HA 1 18 ASN HB3 3.900 . 4.400 3.303 2.326 3.944 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLN HA 1 18 ASN QD 4.870 . 5.370 4.116 3.186 4.364 . 0 0 "[ . 1 . 2]" 1
183 1 15 GLN QB 1 16 LEU H 4.570 . 5.070 2.800 2.610 3.085 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLN QB 1 18 ASN QD 6.500 . 7.000 4.729 3.969 5.195 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLN QG 1 16 LEU H 5.500 . 6.000 4.290 4.057 4.442 . 0 0 "[ . 1 . 2]" 1
186 1 16 LEU CG 1 16 LEU H 3.680 . 4.180 3.054 2.893 3.281 . 0 0 "[ . 1 . 2]" 1
187 1 16 LEU CG 1 16 LEU HA 3.320 . 3.820 2.755 2.695 2.819 . 0 0 "[ . 1 . 2]" 1
188 1 16 LEU CG 1 17 GLU H 5.030 . 5.530 4.583 4.498 4.731 . 0 0 "[ . 1 . 2]" 1
189 1 16 LEU CG 1 19 TYR H 6.440 . 6.940 6.184 5.919 6.468 . 0 0 "[ . 1 . 2]" 1
190 1 16 LEU CG 1 19 TYR QD 5.680 . 6.180 4.332 4.137 4.580 . 0 0 "[ . 1 . 2]" 1
191 1 16 LEU CG 1 19 TYR QE 4.750 . 5.250 4.231 4.100 4.301 . 0 0 "[ . 1 . 2]" 1
192 1 16 LEU CG 2 15 LEU H 6.440 . 6.940 4.936 4.199 5.503 . 0 0 "[ . 1 . 2]" 1
193 1 16 LEU CG 2 15 LEU HA 4.310 . 4.810 3.881 3.269 4.244 . 0 0 "[ . 1 . 2]" 1
194 1 16 LEU H 1 16 LEU HB2 3.740 . 4.240 2.361 2.308 2.456 . 0 0 "[ . 1 . 2]" 1
195 1 16 LEU H 1 16 LEU QB 3.410 . 3.910 2.331 2.281 2.418 . 0 0 "[ . 1 . 2]" 1
196 1 16 LEU H 1 16 LEU HB3 3.740 . 4.240 3.587 3.554 3.616 . 0 0 "[ . 1 . 2]" 1
197 1 16 LEU H 1 16 LEU MD1 5.150 . 5.650 3.543 3.402 3.718 . 0 0 "[ . 1 . 2]" 1
198 1 16 LEU H 1 16 LEU MD2 5.150 . 5.650 3.342 2.216 3.842 . 0 0 "[ . 1 . 2]" 1
199 1 16 LEU H 1 16 LEU HG 4.300 . 4.800 2.882 2.325 4.124 . 0 0 "[ . 1 . 2]" 1
200 1 16 LEU H 1 17 GLU H 3.120 . 3.620 2.719 2.403 2.845 . 0 0 "[ . 1 . 2]" 1
201 1 16 LEU H 1 18 ASN H 4.580 . 5.080 4.068 3.720 4.255 . 0 0 "[ . 1 . 2]" 1
202 1 16 LEU H 2 18 VAL CB 6.280 . 6.780 5.905 5.731 6.128 . 0 0 "[ . 1 . 2]" 1
203 1 16 LEU HA 1 16 LEU HG 3.870 . 4.370 3.143 2.833 3.735 . 0 0 "[ . 1 . 2]" 1
204 1 16 LEU HA 1 19 TYR H 4.600 . 5.100 3.522 3.202 3.856 . 0 0 "[ . 1 . 2]" 1
205 1 16 LEU HA 1 19 TYR QD 3.740 . 4.240 2.360 2.149 2.597 . 0 0 "[ . 1 . 2]" 1
206 1 16 LEU HA 1 19 TYR QE 4.510 . 5.010 2.927 2.363 3.567 . 0 0 "[ . 1 . 2]" 1
207 1 16 LEU QB 1 17 GLU H 3.930 . 4.430 2.715 2.624 2.906 . 0 0 "[ . 1 . 2]" 1
208 1 16 LEU QB 1 19 TYR QD 5.830 . 6.330 3.866 3.659 4.155 . 0 0 "[ . 1 . 2]" 1
209 1 16 LEU QB 2 15 LEU HA 4.310 . 4.810 2.590 2.410 2.751 . 0 0 "[ . 1 . 2]" 1
210 1 16 LEU QB 2 18 VAL CB 4.200 . 4.700 3.153 2.931 3.490 . 0 0 "[ . 1 . 2]" 1
211 1 16 LEU HB2 1 17 GLU H 4.070 . 4.570 2.805 2.699 3.022 . 0 0 "[ . 1 . 2]" 1
212 1 16 LEU HB2 1 18 ASN H 5.500 . 6.000 5.073 4.945 5.183 . 0 0 "[ . 1 . 2]" 1
213 1 16 LEU HB3 1 17 GLU H 4.070 . 4.570 3.628 3.449 3.796 . 0 0 "[ . 1 . 2]" 1
214 1 16 LEU HB3 1 18 ASN H 5.500 . 6.000 5.354 5.062 5.536 . 0 0 "[ . 1 . 2]" 1
215 1 16 LEU MD1 1 17 GLU H 7.200 . 7.700 4.689 4.580 4.843 . 0 0 "[ . 1 . 2]" 1
216 1 16 LEU MD2 1 17 GLU H 6.200 . 6.700 4.729 4.193 4.938 . 0 0 "[ . 1 . 2]" 1
217 1 16 LEU HG 1 17 GLU H 5.190 . 5.690 4.771 4.489 5.211 . 0 0 "[ . 1 . 2]" 1
218 1 17 GLU H 1 17 GLU HB2 3.700 . 4.200 2.392 2.078 2.452 . 0 0 "[ . 1 . 2]" 1
219 1 17 GLU H 1 17 GLU QB 3.340 . 3.840 2.359 2.061 2.416 . 0 0 "[ . 1 . 2]" 1
220 1 17 GLU H 1 17 GLU HB3 3.700 . 4.200 3.603 3.420 3.635 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLU H 1 17 GLU HG2 4.670 . 5.170 3.551 3.150 3.668 . 0 0 "[ . 1 . 2]" 1
222 1 17 GLU H 1 17 GLU HG3 4.670 . 5.170 2.626 2.433 3.798 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLU H 1 18 ASN H 3.610 . 4.110 2.833 2.727 2.938 . 0 0 "[ . 1 . 2]" 1
224 1 17 GLU H 1 18 ASN HA 6.310 . 6.810 5.436 5.313 5.537 . 0 0 "[ . 1 . 2]" 1
225 1 17 GLU H 1 19 TYR H 4.500 . 5.000 4.435 4.214 4.563 . 0 0 "[ . 1 . 2]" 1
226 1 17 GLU H 2 18 VAL CB 5.160 . 5.660 4.959 4.753 5.167 . 0 0 "[ . 1 . 2]" 1
227 1 17 GLU HA 1 19 TYR H 4.280 . 4.780 3.975 3.634 4.302 . 0 0 "[ . 1 . 2]" 1
228 1 17 GLU HA 1 20 CYS H 3.980 . 4.480 3.148 2.809 3.688 . 0 0 "[ . 1 . 2]" 1
229 1 17 GLU HA 1 20 CYS QB 5.520 . 6.020 2.658 2.070 4.116 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLU HA 2 18 VAL CB 6.000 . 6.500 5.138 4.726 5.512 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLU HB2 1 18 ASN H 4.370 . 4.870 3.194 2.935 3.528 . 0 0 "[ . 1 . 2]" 1
232 1 17 GLU HB3 1 18 ASN H 4.370 . 4.870 3.855 3.529 4.135 . 0 0 "[ . 1 . 2]" 1
233 1 17 GLU QG 2 18 VAL CB 4.390 . 4.890 3.954 3.886 4.071 . 0 0 "[ . 1 . 2]" 1
234 1 18 ASN H 1 18 ASN HB2 3.640 . 4.140 2.423 2.235 2.641 . 0 0 "[ . 1 . 2]" 1
235 1 18 ASN H 1 18 ASN HB3 3.640 . 4.140 2.546 2.357 2.677 . 0 0 "[ . 1 . 2]" 1
236 1 18 ASN H 1 18 ASN HD21 . . 6.000 4.645 4.211 4.822 . 0 0 "[ . 1 . 2]" 1
237 1 18 ASN H 1 19 TYR H 3.440 . 3.940 2.681 2.555 2.862 . 0 0 "[ . 1 . 2]" 1
238 1 18 ASN H 1 19 TYR QD 5.590 . 6.090 4.725 4.090 5.004 . 0 0 "[ . 1 . 2]" 1
239 1 18 ASN H 2 18 VAL CB 8.940 . 9.440 7.431 7.196 7.791 . 0 0 "[ . 1 . 2]" 1
240 1 18 ASN QB 1 19 TYR QD 5.980 . 6.480 3.789 3.334 4.208 . 0 0 "[ . 1 . 2]" 1
241 1 18 ASN QB 1 19 TYR QE 6.730 . 7.230 3.911 3.249 4.495 . 0 0 "[ . 1 . 2]" 1
242 1 18 ASN HB2 1 19 TYR H 4.100 . 4.600 4.046 3.870 4.129 . 0 0 "[ . 1 . 2]" 1
243 1 18 ASN HB2 1 19 TYR QD 6.170 . 6.670 5.327 4.948 5.534 . 0 0 "[ . 1 . 2]" 1
244 1 18 ASN HB3 1 19 TYR H 4.100 . 4.600 2.942 2.753 3.159 . 0 0 "[ . 1 . 2]" 1
245 1 18 ASN HB3 1 19 TYR QD 6.170 . 6.670 3.880 3.389 4.366 . 0 0 "[ . 1 . 2]" 1
246 1 19 TYR H 1 19 TYR HB2 3.710 . 4.210 2.653 2.592 2.755 . 0 0 "[ . 1 . 2]" 1
247 1 19 TYR H 1 19 TYR QB 3.580 . 4.080 2.593 2.539 2.683 . 0 0 "[ . 1 . 2]" 1
248 1 19 TYR H 1 19 TYR HB3 3.710 . 4.210 3.653 3.614 3.696 . 0 0 "[ . 1 . 2]" 1
249 1 19 TYR H 1 19 TYR QD 4.030 . 4.530 3.061 2.539 3.219 . 0 0 "[ . 1 . 2]" 1
250 1 19 TYR H 1 19 TYR QE 5.010 . 5.510 4.421 4.271 4.500 . 0 0 "[ . 1 . 2]" 1
251 1 19 TYR H 1 20 CYS H 3.240 . 3.740 2.475 2.286 2.708 . 0 0 "[ . 1 . 2]" 1
252 1 19 TYR H 2 15 LEU CG 6.440 . 6.940 5.728 5.311 6.190 . 0 0 "[ . 1 . 2]" 1
253 1 19 TYR HA 1 19 TYR QD 4.160 . 4.660 2.483 2.307 3.070 . 0 0 "[ . 1 . 2]" 1
254 1 19 TYR QB 1 20 CYS H 4.510 . 5.010 3.028 2.590 3.440 . 0 0 "[ . 1 . 2]" 1
255 1 19 TYR QB 2 15 LEU CG 5.090 . 5.590 3.464 2.934 3.982 . 0 0 "[ . 1 . 2]" 1
256 1 19 TYR HB2 1 20 CYS H 4.620 . 5.120 3.116 2.634 3.581 . 0 0 "[ . 1 . 2]" 1
257 1 19 TYR HB3 1 20 CYS H 4.620 . 5.120 4.154 3.824 4.443 . 0 0 "[ . 1 . 2]" 1
258 1 19 TYR QD 1 20 CYS H 5.490 . 5.990 4.467 4.064 4.750 . 0 0 "[ . 1 . 2]" 1
259 1 19 TYR QD 1 20 CYS HA 7.170 . 7.670 5.983 5.603 6.156 . 0 0 "[ . 1 . 2]" 1
260 1 19 TYR QD 2 15 LEU CG 4.250 . 4.750 3.754 3.141 3.956 . 0 0 "[ . 1 . 2]" 1
261 1 19 TYR QE 2 15 LEU CG 7.340 . 7.840 5.758 5.223 6.002 . 0 0 "[ . 1 . 2]" 1
262 1 20 CYS H 1 20 CYS HB2 3.800 . 4.300 2.588 2.222 3.774 . 0 0 "[ . 1 . 2]" 1
263 1 20 CYS H 1 20 CYS QB 3.500 . 4.000 2.367 2.118 2.831 . 0 0 "[ . 1 . 2]" 1
264 1 20 CYS H 1 20 CYS HB3 3.800 . 4.300 3.011 2.249 3.633 . 0 0 "[ . 1 . 2]" 1
265 1 20 CYS H 2 15 LEU CG 5.630 . 6.130 5.441 4.736 5.708 . 0 0 "[ . 1 . 2]" 1
266 1 20 CYS H 2 18 VAL CB 8.440 . 8.940 7.213 6.450 8.352 . 0 0 "[ . 1 . 2]" 1
267 1 20 CYS HA 1 21 ASN H 4.160 . 4.660 3.015 2.198 3.585 . 0 0 "[ . 1 . 2]" 1
268 1 20 CYS HA 2 15 LEU CG 6.250 . 6.750 5.489 4.813 6.180 . 0 0 "[ . 1 . 2]" 1
269 1 20 CYS QB 1 21 ASN H 3.860 . 4.360 2.848 2.306 3.464 . 0 0 "[ . 1 . 2]" 1
270 1 21 ASN H 1 21 ASN HB2 3.830 . 4.330 2.628 2.285 3.733 . 0 0 "[ . 1 . 2]" 1
271 1 21 ASN H 1 21 ASN QB 3.720 . 4.220 2.366 2.071 3.021 . 0 0 "[ . 1 . 2]" 1
272 1 21 ASN H 1 21 ASN HB3 3.830 . 4.330 2.867 2.290 3.837 . 0 0 "[ . 1 . 2]" 1
273 1 21 ASN QB 1 22 GLY H 4.470 . 4.970 3.304 2.419 3.782 . 0 0 "[ . 1 . 2]" 1
274 1 21 ASN HB2 1 22 GLY H 4.690 . 5.190 3.923 2.839 4.508 . 0 0 "[ . 1 . 2]" 1
275 1 21 ASN HB3 1 22 GLY H 4.690 . 5.190 3.704 2.447 4.182 . 0 0 "[ . 1 . 2]" 1
276 2 1 PHE HA 2 2 VAL CB 5.750 . 6.250 4.985 4.669 5.785 . 0 0 "[ . 1 . 2]" 1
277 2 1 PHE HA 2 2 VAL H 3.480 . 3.980 2.599 2.244 3.593 . 0 0 "[ . 1 . 2]" 1
278 2 1 PHE QB 2 2 VAL CB 5.880 . 6.380 5.063 4.389 5.335 . 0 0 "[ . 1 . 2]" 1
279 2 1 PHE QB 2 2 VAL H 4.700 . 5.200 2.994 2.023 3.570 . 0 0 "[ . 1 . 2]" 1
280 2 1 PHE HB2 2 2 VAL H 4.800 . 5.300 3.500 2.034 4.018 . 0 0 "[ . 1 . 2]" 1
281 2 1 PHE HB3 2 2 VAL H 4.800 . 5.300 3.539 3.039 4.124 . 0 0 "[ . 1 . 2]" 1
282 2 1 PHE QD 2 2 VAL H 5.800 . 6.300 2.838 2.041 4.234 . 0 0 "[ . 1 . 2]" 1
283 2 1 PHE QE 2 2 VAL CB 6.170 . 6.670 4.945 4.325 5.557 . 0 0 "[ . 1 . 2]" 1
284 2 2 VAL CB 2 3 ASN H 4.050 . 4.550 3.389 2.666 4.012 . 0 0 "[ . 1 . 2]" 1
285 2 2 VAL CB 2 3 ASN HA 5.700 . 6.200 5.073 4.612 5.696 . 0 0 "[ . 1 . 2]" 1
286 2 2 VAL CB 2 4 GLN H 5.350 . 5.850 4.325 3.423 5.447 . 0 0 "[ . 1 . 2]" 1
287 2 2 VAL CB 2 4 GLN HE21 5.500 . 6.000 4.523 3.343 5.552 . 0 0 "[ . 1 . 2]" 1
288 2 2 VAL H 2 2 VAL HB 3.890 . 4.390 3.413 2.520 3.953 . 0 0 "[ . 1 . 2]" 1
289 2 2 VAL HA 2 3 ASN H 3.120 . 3.620 2.535 2.116 3.321 . 0 0 "[ . 1 . 2]" 1
290 2 2 VAL HB 2 3 ASN H 4.250 . 4.750 3.454 2.009 4.360 . 0 0 "[ . 1 . 2]" 1
291 2 3 ASN H 2 3 ASN HB2 3.890 . 4.390 3.195 2.396 3.908 . 0 0 "[ . 1 . 2]" 1
292 2 3 ASN H 2 3 ASN HB3 3.890 . 4.390 3.165 2.431 3.966 . 0 0 "[ . 1 . 2]" 1
293 2 3 ASN H 2 4 GLN HA 5.500 . 6.000 5.183 4.231 5.614 . 0 0 "[ . 1 . 2]" 1
294 2 3 ASN HA 2 4 GLN H 3.020 . 3.520 2.557 2.129 3.070 . 0 0 "[ . 1 . 2]" 1
295 2 3 ASN QB 2 4 GLN H 5.160 . 5.660 3.968 3.537 4.108 . 0 0 "[ . 1 . 2]" 1
296 2 3 ASN HB2 2 4 GLN H 5.220 . 5.720 4.477 3.932 4.624 . 0 0 "[ . 1 . 2]" 1
297 2 3 ASN HB3 2 4 GLN H 5.220 . 5.720 4.461 3.710 4.685 . 0 0 "[ . 1 . 2]" 1
298 2 4 GLN H 2 4 GLN HG2 4.970 . 5.470 2.993 2.037 4.518 . 0 0 "[ . 1 . 2]" 1
299 2 4 GLN H 2 4 GLN QG 4.800 . 5.300 2.800 2.018 4.066 . 0 0 "[ . 1 . 2]" 1
300 2 4 GLN H 2 4 GLN HG3 4.970 . 5.470 3.748 3.213 4.767 . 0 0 "[ . 1 . 2]" 1
301 2 4 GLN H 2 5 HIS H 4.530 . 5.030 4.486 4.137 4.598 . 0 0 "[ . 1 . 2]" 1
302 2 4 GLN HA 2 4 GLN HG2 3.790 . 4.290 3.536 2.398 3.811 . 0 0 "[ . 1 . 2]" 1
303 2 4 GLN HA 2 4 GLN HG3 3.790 . 4.290 3.375 2.467 3.828 . 0 0 "[ . 1 . 2]" 1
304 2 4 GLN HA 2 5 HIS H 3.220 . 3.720 2.221 2.097 2.402 . 0 0 "[ . 1 . 2]" 1
305 2 4 GLN QB 2 5 HIS H 4.180 . 4.680 3.024 2.458 3.806 . 0 0 "[ . 1 . 2]" 1
306 2 4 GLN QG 2 5 HIS H 4.870 . 5.370 3.422 2.444 3.975 . 0 0 "[ . 1 . 2]" 1
307 2 4 GLN QG 2 6 LEU CG 5.440 . 5.940 4.089 3.271 4.894 . 0 0 "[ . 1 . 2]" 1
308 2 5 HIS H 2 5 HIS HB2 3.760 . 4.260 2.607 2.327 3.844 . 0 0 "[ . 1 . 2]" 1
309 2 5 HIS H 2 5 HIS QB 3.540 . 4.040 2.501 2.299 3.163 . 0 0 "[ . 1 . 2]" 1
310 2 5 HIS H 2 5 HIS HB3 3.760 . 4.260 3.619 3.180 3.792 . 0 0 "[ . 1 . 2]" 1
311 2 5 HIS H 2 5 HIS HD2 4.530 . 5.030 3.500 2.546 4.627 . 0 0 "[ . 1 . 2]" 1
312 2 5 HIS H 2 6 LEU H 4.520 . 5.020 4.489 4.378 4.583 . 0 0 "[ . 1 . 2]" 1
313 2 5 HIS QB 2 6 LEU H 4.760 . 5.260 2.786 2.384 3.482 . 0 0 "[ . 1 . 2]" 1
314 2 5 HIS HD2 2 6 LEU H 5.500 . 6.000 5.019 3.739 5.721 . 0 0 "[ . 1 . 2]" 1
315 2 6 LEU CG 2 6 LEU HA 3.160 . 3.660 2.817 2.721 2.922 . 0 0 "[ . 1 . 2]" 1
316 2 6 LEU CG 2 7 CYS H 5.410 . 5.910 4.334 3.502 4.559 . 0 0 "[ . 1 . 2]" 1
317 2 6 LEU CG 2 10 HIS QB 4.470 . 4.970 3.918 3.330 4.023 . 0 0 "[ . 1 . 2]" 1
318 2 6 LEU CG 2 10 HIS HD2 6.440 . 6.940 6.422 5.866 6.494 . 0 0 "[ . 1 . 2]" 1
319 2 6 LEU CG 2 11 LEU HA 3.800 . 4.300 3.729 3.024 3.870 . 0 0 "[ . 1 . 2]" 1
320 2 6 LEU CG 2 14 ALA MB 5.410 . 5.910 3.734 3.042 3.887 . 0 0 "[ . 1 . 2]" 1
321 2 6 LEU H 2 6 LEU MD1 5.380 . 5.880 4.117 2.575 4.485 . 0 0 "[ . 1 . 2]" 1
322 2 6 LEU H 2 6 LEU MD2 5.380 . 5.880 4.223 3.066 4.553 . 0 0 "[ . 1 . 2]" 1
323 2 6 LEU H 2 6 LEU HG 4.600 . 5.100 3.681 2.972 4.660 . 0 0 "[ . 1 . 2]" 1
324 2 6 LEU H 2 7 CYS H 4.820 . 5.320 4.260 2.879 4.440 . 0 0 "[ . 1 . 2]" 1
325 2 6 LEU H 2 10 HIS QB 6.990 . 7.490 5.856 5.003 6.262 . 0 0 "[ . 1 . 2]" 1
326 2 6 LEU HA 2 6 LEU HG 3.920 . 4.420 3.043 2.642 3.758 . 0 0 "[ . 1 . 2]" 1
327 2 6 LEU HA 2 7 CYS H 3.010 . 3.510 2.291 2.167 3.303 . 0 0 "[ . 1 . 2]" 1
328 2 6 LEU HA 2 10 HIS QB 4.270 . 4.770 3.455 2.670 3.854 . 0 0 "[ . 1 . 2]" 1
329 2 6 LEU QB 2 11 LEU HA 4.010 . 4.510 2.467 2.157 3.598 . 0 0 "[ . 1 . 2]" 1
330 2 6 LEU MD1 2 7 CYS H 6.400 . 6.900 4.561 2.862 5.044 . 0 0 "[ . 1 . 2]" 1
331 2 6 LEU MD1 2 14 ALA H 6.320 . 6.820 3.862 3.289 5.111 . 0 0 "[ . 1 . 2]" 1
332 2 6 LEU MD1 2 14 ALA MB 7.000 . 7.500 2.256 1.923 3.467 . 0 0 "[ . 1 . 2]" 1
333 2 6 LEU MD2 2 7 CYS H 7.400 . 7.900 3.802 3.277 4.939 . 0 0 "[ . 1 . 2]" 1
334 2 6 LEU MD2 2 14 ALA H 6.320 . 6.820 4.282 3.275 5.336 . 0 0 "[ . 1 . 2]" 1
335 2 6 LEU MD2 2 14 ALA MB 5.000 . 5.500 2.964 1.940 3.492 . 0 0 "[ . 1 . 2]" 1
336 2 6 LEU HG 2 7 CYS H 5.420 . 5.920 4.739 2.952 5.118 . 0 0 "[ . 1 . 2]" 1
337 2 7 CYS H 2 7 CYS HB3 3.310 . 3.810 3.203 2.837 3.908 0.098 20 0 "[ . 1 . 2]" 1
338 2 7 CYS H 2 8 GLY H 4.540 . 5.040 4.461 4.426 4.557 . 0 0 "[ . 1 . 2]" 1
339 2 7 CYS H 2 10 HIS QB 4.120 . 4.620 2.723 2.369 3.749 . 0 0 "[ . 1 . 2]" 1
340 2 7 CYS H 2 10 HIS HD2 5.500 . 6.000 3.414 2.963 5.038 . 0 0 "[ . 1 . 2]" 1
341 2 7 CYS HA 2 8 GLY H 3.290 . 3.790 2.393 2.298 2.542 . 0 0 "[ . 1 . 2]" 1
342 2 7 CYS HA 2 8 GLY HA2 4.790 . 5.290 4.561 4.504 4.650 . 0 0 "[ . 1 . 2]" 1
343 2 7 CYS HA 2 8 GLY QA 4.680 . 5.180 4.095 4.041 4.169 . 0 0 "[ . 1 . 2]" 1
344 2 7 CYS HA 2 8 GLY HA3 4.790 . 5.290 4.633 4.571 4.711 . 0 0 "[ . 1 . 2]" 1
345 2 7 CYS HA 2 11 LEU CG 4.850 . 5.350 4.225 3.798 4.615 . 0 0 "[ . 1 . 2]" 1
346 2 7 CYS HA 2 11 LEU H 5.150 . 5.650 4.086 3.962 4.360 . 0 0 "[ . 1 . 2]" 1
347 2 7 CYS HA 2 11 LEU QB 4.510 . 5.010 2.658 2.421 2.967 . 0 0 "[ . 1 . 2]" 1
348 2 7 CYS HA 2 11 LEU HG 5.500 . 6.000 5.033 4.575 5.514 . 0 0 "[ . 1 . 2]" 1
349 2 7 CYS QB 2 8 GLY H 4.270 . 4.770 3.161 2.496 3.411 . 0 0 "[ . 1 . 2]" 1
350 2 7 CYS HB2 2 8 GLY H 4.530 . 5.030 4.066 3.651 4.253 . 0 0 "[ . 1 . 2]" 1
351 2 7 CYS HB3 2 8 GLY H 4.530 . 5.030 3.304 2.541 3.592 . 0 0 "[ . 1 . 2]" 1
352 2 8 GLY H 2 11 LEU CG 5.440 . 5.940 5.272 4.973 5.465 . 0 0 "[ . 1 . 2]" 1
353 2 8 GLY H 2 11 LEU QB 4.640 . 5.140 3.486 3.251 3.686 . 0 0 "[ . 1 . 2]" 1
354 2 8 GLY QA 2 9 SER H 3.330 . 3.830 2.176 2.145 2.194 . 0 0 "[ . 1 . 2]" 1
355 2 9 SER H 2 9 SER QB 3.720 . 4.220 2.580 2.522 2.670 . 0 0 "[ . 1 . 2]" 1
356 2 9 SER H 2 10 HIS H 3.760 . 4.260 2.805 2.612 2.918 . 0 0 "[ . 1 . 2]" 1
357 2 9 SER H 2 10 HIS HD2 5.500 . 6.000 5.082 4.375 5.537 . 0 0 "[ . 1 . 2]" 1
358 2 9 SER H 2 12 VAL CB 7.270 . 7.770 6.035 5.751 6.546 . 0 0 "[ . 1 . 2]" 1
359 2 9 SER HA 2 12 VAL CB 3.650 . 4.150 3.323 3.133 3.685 . 0 0 "[ . 1 . 2]" 1
360 2 9 SER HA 2 12 VAL H 3.980 . 4.480 3.094 3.039 3.189 . 0 0 "[ . 1 . 2]" 1
361 2 9 SER HA 2 12 VAL HA 5.430 . 5.930 5.075 4.916 5.332 . 0 0 "[ . 1 . 2]" 1
362 2 9 SER QB 2 10 HIS H 4.210 . 4.710 3.572 2.973 3.753 . 0 0 "[ . 1 . 2]" 1
363 2 9 SER QB 2 12 VAL CB 5.140 . 5.640 4.611 4.586 4.641 . 0 0 "[ . 1 . 2]" 1
364 2 9 SER QB 2 12 VAL H 5.480 . 5.980 4.652 4.477 4.789 . 0 0 "[ . 1 . 2]" 1
365 2 10 HIS H 2 10 HIS HB2 3.640 . 4.140 2.663 2.466 2.747 . 0 0 "[ . 1 . 2]" 1
366 2 10 HIS H 2 10 HIS QB 3.510 . 4.010 2.598 2.429 2.667 . 0 0 "[ . 1 . 2]" 1
367 2 10 HIS H 2 10 HIS HB3 3.640 . 4.140 3.619 3.600 3.637 . 0 0 "[ . 1 . 2]" 1
368 2 10 HIS H 2 10 HIS HD2 5.030 . 5.530 3.332 2.858 3.640 . 0 0 "[ . 1 . 2]" 1
369 2 10 HIS H 2 11 LEU H 3.430 . 3.930 2.622 2.571 2.672 . 0 0 "[ . 1 . 2]" 1
370 2 10 HIS HA 2 14 ALA H 4.510 . 5.010 4.047 3.740 4.522 . 0 0 "[ . 1 . 2]" 1
371 2 10 HIS QB 2 11 LEU H 4.310 . 4.810 2.681 2.583 2.894 . 0 0 "[ . 1 . 2]" 1
372 2 10 HIS QB 2 14 ALA H 5.990 . 6.490 4.742 4.447 5.146 . 0 0 "[ . 1 . 2]" 1
373 2 10 HIS HB2 2 11 LEU H 4.410 . 4.910 2.734 2.626 2.971 . 0 0 "[ . 1 . 2]" 1
374 2 10 HIS HB3 2 11 LEU H 4.410 . 4.910 3.885 3.755 4.007 . 0 0 "[ . 1 . 2]" 1
375 2 11 LEU CG 2 12 VAL H 4.180 . 4.680 4.107 3.949 4.195 . 0 0 "[ . 1 . 2]" 1
376 2 11 LEU CG 2 12 VAL HA 5.380 . 5.880 4.915 4.721 5.064 . 0 0 "[ . 1 . 2]" 1
377 2 11 LEU CG 2 15 LEU H 6.440 . 6.940 5.414 4.942 6.366 . 0 0 "[ . 1 . 2]" 1
378 2 11 LEU H 2 11 LEU HB2 3.690 . 4.190 2.549 2.288 2.646 . 0 0 "[ . 1 . 2]" 1
379 2 11 LEU H 2 11 LEU HB3 3.690 . 4.190 2.372 2.198 2.465 . 0 0 "[ . 1 . 2]" 1
380 2 11 LEU H 2 11 LEU MD1 5.220 . 5.720 4.187 4.035 4.265 . 0 0 "[ . 1 . 2]" 1
381 2 11 LEU H 2 11 LEU MD2 5.220 . 5.720 4.154 3.916 4.288 . 0 0 "[ . 1 . 2]" 1
382 2 11 LEU H 2 11 LEU HG 4.670 . 5.170 4.444 4.374 4.529 . 0 0 "[ . 1 . 2]" 1
383 2 11 LEU H 2 12 VAL H 3.420 . 3.920 2.602 2.492 2.722 . 0 0 "[ . 1 . 2]" 1
384 2 11 LEU HA 2 11 LEU HG 3.810 . 4.310 3.048 2.425 3.387 . 0 0 "[ . 1 . 2]" 1
385 2 11 LEU HB2 2 12 VAL H 4.150 . 4.650 3.970 3.859 4.099 . 0 0 "[ . 1 . 2]" 1
386 2 11 LEU HB3 2 12 VAL H 4.150 . 4.650 2.708 2.613 2.917 . 0 0 "[ . 1 . 2]" 1
387 2 11 LEU MD1 2 12 VAL H 5.840 . 6.340 4.556 4.373 4.884 . 0 0 "[ . 1 . 2]" 1
388 2 11 LEU MD2 2 12 VAL H 5.840 . 6.340 4.033 2.999 4.604 . 0 0 "[ . 1 . 2]" 1
389 2 11 LEU HG 2 12 VAL CB 6.280 . 6.780 5.734 5.317 6.332 . 0 0 "[ . 1 . 2]" 1
390 2 11 LEU HG 2 12 VAL H 5.310 . 5.810 4.066 3.725 4.586 . 0 0 "[ . 1 . 2]" 1
391 2 11 LEU HG 2 12 VAL HA 5.500 . 6.000 4.385 3.904 5.011 . 0 0 "[ . 1 . 2]" 1
392 2 11 LEU HG 2 13 GLU H 6.280 . 6.780 6.095 5.785 6.336 . 0 0 "[ . 1 . 2]" 1
393 2 12 VAL CB 2 12 VAL H 3.130 . 3.630 2.608 2.570 2.637 . 0 0 "[ . 1 . 2]" 1
394 2 12 VAL CB 2 13 GLU H 4.020 . 4.520 3.155 3.101 3.259 . 0 0 "[ . 1 . 2]" 1
395 2 12 VAL CB 2 14 ALA H 5.690 . 6.190 5.389 5.303 5.514 . 0 0 "[ . 1 . 2]" 1
396 2 12 VAL CB 2 15 LEU CG 6.750 . 7.250 6.455 5.938 6.712 . 0 0 "[ . 1 . 2]" 1
397 2 12 VAL CB 2 16 TYR H 5.220 . 5.720 5.163 5.043 5.240 . 0 0 "[ . 1 . 2]" 1
398 2 12 VAL CB 2 16 TYR QB 6.330 . 6.830 4.896 4.685 5.091 . 0 0 "[ . 1 . 2]" 1
399 2 12 VAL CB 2 16 TYR QD 5.910 . 6.410 5.311 5.280 5.347 . 0 0 "[ . 1 . 2]" 1
400 2 12 VAL CB 2 24 PHE QE 5.530 . 6.030 4.544 4.032 4.961 . 0 0 "[ . 1 . 2]" 1
401 2 12 VAL H 2 12 VAL HB 3.330 . 3.830 2.586 2.457 2.672 . 0 0 "[ . 1 . 2]" 1
402 2 12 VAL H 2 13 GLU H 3.580 . 4.080 2.768 2.431 2.878 . 0 0 "[ . 1 . 2]" 1
403 2 12 VAL H 2 14 ALA H 4.730 . 5.230 4.365 4.211 4.544 . 0 0 "[ . 1 . 2]" 1
404 2 12 VAL H 2 15 LEU H 5.170 . 5.670 4.846 4.735 5.064 . 0 0 "[ . 1 . 2]" 1
405 2 12 VAL HA 2 14 ALA H 4.980 . 5.480 4.643 4.490 4.830 . 0 0 "[ . 1 . 2]" 1
406 2 12 VAL HA 2 14 ALA MB 6.170 . 6.670 5.068 4.874 5.163 . 0 0 "[ . 1 . 2]" 1
407 2 12 VAL HA 2 15 LEU CG 4.600 . 5.100 4.463 3.964 4.716 . 0 0 "[ . 1 . 2]" 1
408 2 12 VAL HA 2 15 LEU H 4.280 . 4.780 3.560 3.414 3.713 . 0 0 "[ . 1 . 2]" 1
409 2 12 VAL HA 2 15 LEU QB 4.510 . 5.010 2.577 2.208 2.780 . 0 0 "[ . 1 . 2]" 1
410 2 12 VAL HA 2 16 TYR H 4.780 . 5.280 3.992 3.826 4.184 . 0 0 "[ . 1 . 2]" 1
411 2 12 VAL HA 2 24 PHE QE 5.480 . 5.980 3.804 3.123 4.775 . 0 0 "[ . 1 . 2]" 1
412 2 12 VAL HB 2 13 GLU H 3.220 . 3.720 2.694 2.614 2.873 . 0 0 "[ . 1 . 2]" 1
413 2 12 VAL MG1 2 14 ALA H 6.610 . 7.110 5.299 5.168 5.397 . 0 0 "[ . 1 . 2]" 1
414 2 12 VAL MG1 2 16 TYR H 6.610 . 7.110 3.949 3.822 4.035 . 0 0 "[ . 1 . 2]" 1
415 2 12 VAL MG1 2 24 PHE QE 6.620 . 7.120 2.582 2.238 3.052 . 0 0 "[ . 1 . 2]" 1
416 2 12 VAL MG2 2 14 ALA H 7.610 . 8.110 5.635 5.524 5.761 . 0 0 "[ . 1 . 2]" 1
417 2 12 VAL MG2 2 16 TYR H 8.610 . 9.110 5.605 5.404 5.741 . 0 0 "[ . 1 . 2]" 1
418 2 12 VAL MG2 2 24 PHE QE 7.620 . 8.120 3.956 3.164 4.687 . 0 0 "[ . 1 . 2]" 1
419 2 13 GLU H 2 13 GLU HA 2.880 . 3.380 2.844 2.804 2.876 . 0 0 "[ . 1 . 2]" 1
420 2 13 GLU H 2 13 GLU HB2 3.210 . 3.710 2.427 2.236 2.522 . 0 0 "[ . 1 . 2]" 1
421 2 13 GLU H 2 13 GLU QB 3.120 . 3.620 2.213 2.167 2.238 . 0 0 "[ . 1 . 2]" 1
422 2 13 GLU H 2 13 GLU HB3 3.210 . 3.710 2.623 2.463 3.452 . 0 0 "[ . 1 . 2]" 1
423 2 13 GLU H 2 14 ALA H 3.340 . 3.840 2.867 2.790 2.974 . 0 0 "[ . 1 . 2]" 1
424 2 13 GLU H 2 14 ALA MB 5.440 . 5.940 4.480 4.388 4.528 . 0 0 "[ . 1 . 2]" 1
425 2 13 GLU HA 2 16 TYR H 3.700 . 4.200 3.337 3.092 3.540 . 0 0 "[ . 1 . 2]" 1
426 2 13 GLU HA 2 16 TYR QB 3.660 . 4.160 2.473 2.262 2.721 . 0 0 "[ . 1 . 2]" 1
427 2 13 GLU HA 2 16 TYR QD 5.340 . 5.840 4.119 3.904 4.507 . 0 0 "[ . 1 . 2]" 1
428 2 13 GLU QB 2 14 ALA H 3.820 . 4.320 2.619 2.521 2.726 . 0 0 "[ . 1 . 2]" 1
429 2 13 GLU QB 2 14 ALA MB 7.740 . 8.240 3.950 3.767 4.041 . 0 0 "[ . 1 . 2]" 1
430 2 13 GLU HB2 2 14 ALA H 4.060 . 4.560 3.826 2.606 4.017 . 0 0 "[ . 1 . 2]" 1
431 2 13 GLU HB3 2 14 ALA H 4.060 . 4.560 2.738 2.591 3.411 . 0 0 "[ . 1 . 2]" 1
432 2 13 GLU QG 2 16 TYR QD 6.730 . 7.230 5.037 4.699 5.363 . 0 0 "[ . 1 . 2]" 1
433 2 14 ALA H 2 15 LEU H 3.500 . 4.000 2.791 2.719 2.875 . 0 0 "[ . 1 . 2]" 1
434 2 14 ALA H 2 15 LEU QB 5.790 . 6.290 4.422 4.304 4.508 . 0 0 "[ . 1 . 2]" 1
435 2 14 ALA HA 2 18 VAL CB 5.790 . 6.290 5.667 5.296 5.834 . 0 0 "[ . 1 . 2]" 1
436 2 14 ALA MB 2 15 LEU H 4.280 . 4.780 2.520 2.464 2.621 . 0 0 "[ . 1 . 2]" 1
437 2 14 ALA MB 2 16 TYR H 5.500 . 6.000 4.581 4.480 4.615 . 0 0 "[ . 1 . 2]" 1
438 2 14 ALA MB 2 18 VAL CB 6.400 . 6.900 5.180 4.890 5.354 . 0 0 "[ . 1 . 2]" 1
439 2 14 ALA MB 2 18 VAL H 5.860 . 6.360 4.618 4.484 4.750 . 0 0 "[ . 1 . 2]" 1
440 2 15 LEU CG 2 15 LEU HA 3.480 . 3.980 2.796 2.670 2.925 . 0 0 "[ . 1 . 2]" 1
441 2 15 LEU CG 2 18 VAL CB 6.600 . 7.100 6.059 5.786 6.440 . 0 0 "[ . 1 . 2]" 1
442 2 15 LEU CG 2 19 CYS H 5.370 . 5.870 5.176 4.879 5.445 . 0 0 "[ . 1 . 2]" 1
443 2 15 LEU CG 2 24 PHE QD 4.860 . 5.360 3.812 3.423 4.352 . 0 0 "[ . 1 . 2]" 1
444 2 15 LEU CG 2 24 PHE QE 5.020 . 5.520 3.992 3.169 4.485 . 0 0 "[ . 1 . 2]" 1
445 2 15 LEU CG 2 26 TYR QB 5.340 . 5.840 4.540 4.041 4.815 . 0 0 "[ . 1 . 2]" 1
446 2 15 LEU H 2 15 LEU HB2 3.660 . 4.160 2.352 2.110 2.543 . 0 0 "[ . 1 . 2]" 1
447 2 15 LEU H 2 15 LEU QB 3.180 . 3.680 2.148 2.058 2.206 . 0 0 "[ . 1 . 2]" 1
448 2 15 LEU H 2 15 LEU HB3 3.660 . 4.160 2.565 2.320 2.857 . 0 0 "[ . 1 . 2]" 1
449 2 15 LEU H 2 15 LEU MD2 5.270 . 5.770 4.182 3.680 4.341 . 0 0 "[ . 1 . 2]" 1
450 2 15 LEU H 2 16 TYR QB 5.130 . 5.630 4.424 4.285 4.552 . 0 0 "[ . 1 . 2]" 1
451 2 15 LEU H 2 18 VAL CB 5.840 . 6.340 5.892 5.787 5.953 . 0 0 "[ . 1 . 2]" 1
452 2 15 LEU H 2 18 VAL H 5.300 . 5.800 4.749 4.697 4.810 . 0 0 "[ . 1 . 2]" 1
453 2 15 LEU HA 2 18 VAL CB 5.030 . 5.530 3.666 3.509 3.900 . 0 0 "[ . 1 . 2]" 1
454 2 15 LEU HA 2 18 VAL HB 3.300 . 3.800 2.589 2.434 2.811 . 0 0 "[ . 1 . 2]" 1
455 2 15 LEU QB 2 16 TYR QB 6.480 . 6.980 3.974 3.762 4.145 . 0 0 "[ . 1 . 2]" 1
456 2 15 LEU QB 2 24 PHE QD 6.110 . 6.610 4.209 3.672 4.843 . 0 0 "[ . 1 . 2]" 1
457 2 15 LEU HB2 2 16 TYR H 4.230 . 4.730 3.853 3.555 4.066 . 0 0 "[ . 1 . 2]" 1
458 2 15 LEU HB3 2 16 TYR H 4.230 . 4.730 2.666 2.475 2.843 . 0 0 "[ . 1 . 2]" 1
459 2 15 LEU MD1 2 16 TYR H 7.040 . 7.540 4.428 3.960 4.591 . 0 0 "[ . 1 . 2]" 1
460 2 15 LEU MD1 2 19 CYS H 8.610 . 9.110 4.155 3.320 5.993 . 0 0 "[ . 1 . 2]" 1
461 2 15 LEU MD1 2 24 PHE QD 6.660 . 7.160 3.421 2.206 4.170 . 0 0 "[ . 1 . 2]" 1
462 2 15 LEU MD1 2 24 PHE QE 7.060 . 7.560 3.947 2.253 4.942 . 0 0 "[ . 1 . 2]" 1
463 2 15 LEU MD2 2 16 TYR H 6.040 . 6.540 4.358 3.726 4.816 . 0 0 "[ . 1 . 2]" 1
464 2 15 LEU MD2 2 19 CYS H 7.610 . 8.110 5.186 3.317 6.117 . 0 0 "[ . 1 . 2]" 1
465 2 15 LEU MD2 2 24 PHE QD 6.660 . 7.160 2.602 2.205 4.473 . 0 0 "[ . 1 . 2]" 1
466 2 15 LEU MD2 2 24 PHE QE 7.060 . 7.560 3.018 2.273 4.453 . 0 0 "[ . 1 . 2]" 1
467 2 16 TYR H 2 16 TYR QB 3.400 . 3.900 2.106 2.073 2.171 . 0 0 "[ . 1 . 2]" 1
468 2 16 TYR H 2 16 TYR QD 4.800 . 5.300 4.039 3.973 4.121 . 0 0 "[ . 1 . 2]" 1
469 2 16 TYR H 2 17 LEU H 3.390 . 3.890 2.833 2.776 2.919 . 0 0 "[ . 1 . 2]" 1
470 2 16 TYR H 2 18 VAL CB 6.440 . 6.940 6.125 5.998 6.265 . 0 0 "[ . 1 . 2]" 1
471 2 16 TYR H 2 18 VAL H 4.230 . 4.730 4.209 4.110 4.258 . 0 0 "[ . 1 . 2]" 1
472 2 16 TYR H 2 19 CYS H 5.290 . 5.790 4.784 4.647 5.032 . 0 0 "[ . 1 . 2]" 1
473 2 16 TYR H 2 24 PHE QE 5.830 . 6.330 4.131 3.836 4.502 . 0 0 "[ . 1 . 2]" 1
474 2 16 TYR HA 2 16 TYR QD 4.010 . 4.510 3.098 2.996 3.244 . 0 0 "[ . 1 . 2]" 1
475 2 16 TYR HA 2 16 TYR QE 5.660 . 6.160 4.647 4.522 4.862 . 0 0 "[ . 1 . 2]" 1
476 2 16 TYR HA 2 18 VAL H 5.360 . 5.860 4.579 4.287 4.802 . 0 0 "[ . 1 . 2]" 1
477 2 16 TYR HA 2 19 CYS H 4.620 . 5.120 3.762 3.486 4.254 . 0 0 "[ . 1 . 2]" 1
478 2 16 TYR HA 2 24 PHE QE 4.680 . 5.180 2.434 2.182 2.947 . 0 0 "[ . 1 . 2]" 1
479 2 16 TYR QB 2 17 LEU H 3.870 . 4.370 2.510 2.394 2.801 . 0 0 "[ . 1 . 2]" 1
480 2 16 TYR QB 2 17 LEU QB 6.090 . 6.590 4.168 3.689 4.329 . 0 0 "[ . 1 . 2]" 1
481 2 16 TYR QB 2 18 VAL H 5.620 . 6.120 4.731 4.632 4.817 . 0 0 "[ . 1 . 2]" 1
482 2 16 TYR QB 2 19 CYS H 6.170 . 6.670 5.195 5.046 5.447 . 0 0 "[ . 1 . 2]" 1
483 2 16 TYR QB 2 24 PHE QE 5.580 . 6.080 3.462 2.879 3.946 . 0 0 "[ . 1 . 2]" 1
484 2 16 TYR QD 2 17 LEU CG 6.510 . 7.010 4.951 4.156 5.833 . 0 0 "[ . 1 . 2]" 1
485 2 16 TYR QD 2 17 LEU HA 5.860 . 6.360 3.686 3.410 3.954 . 0 0 "[ . 1 . 2]" 1
486 2 16 TYR QD 2 17 LEU QB 6.730 . 7.230 5.073 4.408 5.368 . 0 0 "[ . 1 . 2]" 1
487 2 16 TYR QD 2 20 GLY H 6.060 . 6.560 4.351 3.978 4.847 . 0 0 "[ . 1 . 2]" 1
488 2 16 TYR QD 2 20 GLY QA 6.750 . 7.250 4.117 2.890 4.681 . 0 0 "[ . 1 . 2]" 1
489 2 16 TYR QD 2 21 GLU QG 6.290 . 6.790 4.292 3.543 5.018 . 0 0 "[ . 1 . 2]" 1
490 2 16 TYR QE 2 21 GLU QG 5.750 . 6.250 3.000 2.241 4.603 . 0 0 "[ . 1 . 2]" 1
491 2 16 TYR QE 2 24 PHE QE 5.730 . 6.230 3.879 3.635 4.412 . 0 0 "[ . 1 . 2]" 1
492 2 17 LEU CG 2 17 LEU HA 3.370 . 3.870 2.727 2.598 2.788 . 0 0 "[ . 1 . 2]" 1
493 2 17 LEU H 2 17 LEU HB2 3.650 . 4.150 2.293 2.152 2.367 . 0 0 "[ . 1 . 2]" 1
494 2 17 LEU H 2 17 LEU QB 3.470 . 3.970 2.258 2.132 2.336 . 0 0 "[ . 1 . 2]" 1
495 2 17 LEU H 2 17 LEU HB3 3.650 . 4.150 3.488 2.526 3.595 . 0 0 "[ . 1 . 2]" 1
496 2 17 LEU H 2 18 VAL CB 5.410 . 5.910 5.241 5.126 5.318 . 0 0 "[ . 1 . 2]" 1
497 2 17 LEU H 2 18 VAL H 3.510 . 4.010 2.696 2.586 2.764 . 0 0 "[ . 1 . 2]" 1
498 2 17 LEU H 2 19 CYS H 4.530 . 5.030 4.277 4.035 4.493 . 0 0 "[ . 1 . 2]" 1
499 2 17 LEU HA 2 19 CYS H 4.590 . 5.090 4.561 4.354 4.630 . 0 0 "[ . 1 . 2]" 1
500 2 17 LEU HA 2 20 GLY H 3.950 . 4.450 3.569 3.216 4.089 . 0 0 "[ . 1 . 2]" 1
501 2 17 LEU QB 2 18 VAL CB 5.430 . 5.930 4.671 4.509 4.830 . 0 0 "[ . 1 . 2]" 1
502 2 17 LEU QB 2 18 VAL H 3.980 . 4.480 2.787 2.633 3.013 . 0 0 "[ . 1 . 2]" 1
503 2 17 LEU QB 2 18 VAL HA 5.140 . 5.640 4.113 4.014 4.279 . 0 0 "[ . 1 . 2]" 1
504 2 17 LEU HB2 2 18 VAL H 4.180 . 4.680 2.960 2.748 3.824 . 0 0 "[ . 1 . 2]" 1
505 2 17 LEU HB2 2 19 CYS H 6.500 . 7.000 5.369 5.181 5.683 . 0 0 "[ . 1 . 2]" 1
506 2 17 LEU HB3 2 18 VAL H 4.180 . 4.680 3.592 2.683 3.788 . 0 0 "[ . 1 . 2]" 1
507 2 17 LEU HB3 2 19 CYS H 5.500 . 6.000 5.741 5.001 5.924 . 0 0 "[ . 1 . 2]" 1
508 2 18 VAL CB 2 18 VAL H 3.130 . 3.630 2.578 2.552 2.597 . 0 0 "[ . 1 . 2]" 1
509 2 18 VAL CB 2 19 CYS H 3.770 . 4.270 3.217 3.094 3.404 . 0 0 "[ . 1 . 2]" 1
510 2 18 VAL CB 2 19 CYS HA 5.240 . 5.740 4.775 4.596 5.037 . 0 0 "[ . 1 . 2]" 1
511 2 18 VAL CB 2 20 GLY H 5.740 . 6.240 5.203 4.972 5.431 . 0 0 "[ . 1 . 2]" 1
512 2 18 VAL H 2 18 VAL HB 3.190 . 3.690 2.349 2.281 2.411 . 0 0 "[ . 1 . 2]" 1
513 2 18 VAL H 2 18 VAL MG1 4.520 . 5.020 3.758 3.712 3.784 . 0 0 "[ . 1 . 2]" 1
514 2 18 VAL H 2 18 VAL MG2 4.520 . 5.020 2.496 2.386 2.599 . 0 0 "[ . 1 . 2]" 1
515 2 18 VAL H 2 19 CYS H 3.450 . 3.950 2.685 2.530 2.842 . 0 0 "[ . 1 . 2]" 1
516 2 18 VAL H 2 19 CYS HA 5.500 . 6.000 5.340 5.243 5.422 . 0 0 "[ . 1 . 2]" 1
517 2 18 VAL H 2 20 GLY H 4.550 . 5.050 4.028 3.887 4.203 . 0 0 "[ . 1 . 2]" 1
518 2 18 VAL HB 2 19 CYS H 3.570 . 4.070 2.880 2.727 3.145 . 0 0 "[ . 1 . 2]" 1
519 2 18 VAL MG1 2 19 CYS H 5.390 . 5.890 3.319 3.000 3.652 . 0 0 "[ . 1 . 2]" 1
520 2 18 VAL MG1 2 19 CYS HA 6.580 . 7.080 3.544 3.257 3.988 . 0 0 "[ . 1 . 2]" 1
521 2 18 VAL MG1 2 20 GLY H 6.610 . 7.110 5.058 4.789 5.381 . 0 0 "[ . 1 . 2]" 1
522 2 18 VAL MG2 2 19 CYS H 5.390 . 5.890 4.138 4.071 4.292 . 0 0 "[ . 1 . 2]" 1
523 2 18 VAL MG2 2 19 CYS HA 8.580 . 9.080 5.563 5.426 5.718 . 0 0 "[ . 1 . 2]" 1
524 2 18 VAL MG2 2 20 GLY H 7.610 . 8.110 5.532 5.341 5.713 . 0 0 "[ . 1 . 2]" 1
525 2 19 CYS H 2 19 CYS HB2 3.750 . 4.250 2.452 2.326 2.655 . 0 0 "[ . 1 . 2]" 1
526 2 19 CYS H 2 19 CYS HB3 3.750 . 4.250 3.250 2.496 3.738 . 0 0 "[ . 1 . 2]" 1
527 2 19 CYS H 2 20 GLY H 3.430 . 3.930 2.540 2.141 2.783 . 0 0 "[ . 1 . 2]" 1
528 2 19 CYS H 2 20 GLY QA 5.300 . 5.800 4.396 3.973 4.639 . 0 0 "[ . 1 . 2]" 1
529 2 19 CYS H 2 21 GLU H 5.040 . 5.540 4.739 4.352 5.217 . 0 0 "[ . 1 . 2]" 1
530 2 19 CYS HA 2 21 GLU H 5.500 . 6.000 4.927 3.598 5.545 . 0 0 "[ . 1 . 2]" 1
531 2 19 CYS HA 2 22 ARG HB2 5.500 . 6.000 3.916 3.059 4.635 . 0 0 "[ . 1 . 2]" 1
532 2 19 CYS HA 2 22 ARG QB 5.420 . 5.920 3.665 2.299 4.246 . 0 0 "[ . 1 . 2]" 1
533 2 19 CYS HA 2 22 ARG HB3 5.500 . 6.000 4.869 2.331 5.581 . 0 0 "[ . 1 . 2]" 1
534 2 19 CYS HA 2 22 ARG QG 6.170 . 6.670 4.845 4.069 5.554 . 0 0 "[ . 1 . 2]" 1
535 2 19 CYS QB 2 20 GLY H 3.820 . 4.320 2.979 2.590 3.422 . 0 0 "[ . 1 . 2]" 1
536 2 19 CYS QB 2 21 GLU H 5.130 . 5.630 3.601 2.844 4.636 . 0 0 "[ . 1 . 2]" 1
537 2 19 CYS QB 2 23 GLY H 4.930 . 5.430 3.869 2.871 4.439 . 0 0 "[ . 1 . 2]" 1
538 2 19 CYS HB2 2 20 GLY H 3.900 . 4.400 3.454 2.644 4.003 . 0 0 "[ . 1 . 2]" 1
539 2 19 CYS HB3 2 20 GLY H 3.900 . 4.400 3.590 2.872 4.122 . 0 0 "[ . 1 . 2]" 1
540 2 20 GLY QA 2 21 GLU H 3.520 . 4.020 2.678 2.415 2.918 . 0 0 "[ . 1 . 2]" 1
541 2 21 GLU H 2 21 GLU QG 4.730 . 5.230 3.321 2.477 4.140 . 0 0 "[ . 1 . 2]" 1
542 2 21 GLU H 2 22 ARG H 3.160 . 3.660 2.744 1.797 2.962 0.003 18 0 "[ . 1 . 2]" 1
543 2 21 GLU QB 2 22 ARG H 4.820 . 5.320 3.752 2.985 4.049 . 0 0 "[ . 1 . 2]" 1
544 2 21 GLU QB 2 23 GLY H 5.990 . 6.490 4.757 4.212 5.055 . 0 0 "[ . 1 . 2]" 1
545 2 21 GLU HB2 2 22 ARG H 4.420 . 4.920 4.201 3.087 4.609 . 0 0 "[ . 1 . 2]" 1
546 2 21 GLU HB3 2 22 ARG H 4.920 . 5.420 4.312 3.963 4.576 . 0 0 "[ . 1 . 2]" 1
547 2 21 GLU QG 2 22 ARG H 5.290 . 5.790 4.448 3.975 4.581 . 0 0 "[ . 1 . 2]" 1
548 2 21 GLU HG2 2 22 ARG H 5.500 . 6.000 5.029 4.640 5.310 . 0 0 "[ . 1 . 2]" 1
549 2 21 GLU HG3 2 22 ARG H 5.500 . 6.000 4.995 4.322 5.496 . 0 0 "[ . 1 . 2]" 1
550 2 22 ARG H 2 22 ARG HB2 3.850 . 4.350 2.351 2.097 2.782 . 0 0 "[ . 1 . 2]" 1
551 2 22 ARG H 2 22 ARG HB3 3.850 . 4.350 3.215 2.322 3.721 . 0 0 "[ . 1 . 2]" 1
552 2 22 ARG H 2 22 ARG QD 5.350 . 5.850 4.189 2.680 4.853 . 0 0 "[ . 1 . 2]" 1
553 2 22 ARG H 2 22 ARG HE 4.770 . 5.270 3.783 2.692 4.790 . 0 0 "[ . 1 . 2]" 1
554 2 22 ARG H 2 22 ARG QG 4.460 . 4.960 3.363 2.360 4.022 . 0 0 "[ . 1 . 2]" 1
555 2 22 ARG HA 2 22 ARG QD 4.750 . 5.250 3.235 2.102 4.240 . 0 0 "[ . 1 . 2]" 1
556 2 22 ARG HA 2 22 ARG HE 5.490 . 5.990 4.087 2.090 4.942 . 0 0 "[ . 1 . 2]" 1
557 2 22 ARG HA 2 23 GLY H 3.550 . 4.050 3.382 3.003 3.522 . 0 0 "[ . 1 . 2]" 1
558 2 22 ARG QB 2 22 ARG HE 4.510 . 5.010 2.620 2.009 4.032 . 0 0 "[ . 1 . 2]" 1
559 2 22 ARG QB 2 23 GLY H 4.240 . 4.740 3.149 2.555 3.713 . 0 0 "[ . 1 . 2]" 1
560 2 22 ARG HB2 2 22 ARG HE 4.670 . 5.170 2.914 2.020 4.593 . 0 0 "[ . 1 . 2]" 1
561 2 22 ARG HB2 2 23 GLY H 4.400 . 4.900 3.660 3.094 4.220 . 0 0 "[ . 1 . 2]" 1
562 2 22 ARG HB3 2 22 ARG HE 4.670 . 5.170 3.599 2.183 4.507 . 0 0 "[ . 1 . 2]" 1
563 2 22 ARG HB3 2 23 GLY H 4.400 . 4.900 3.643 2.598 4.420 . 0 0 "[ . 1 . 2]" 1
564 2 22 ARG QG 2 23 GLY H 5.290 . 5.790 4.474 3.986 4.765 . 0 0 "[ . 1 . 2]" 1
565 2 23 GLY H 2 24 PHE QD 5.630 . 6.130 3.306 2.780 4.495 . 0 0 "[ . 1 . 2]" 1
566 2 23 GLY QA 2 24 PHE H 3.590 . 4.090 2.182 2.084 2.770 . 0 0 "[ . 1 . 2]" 1
567 2 23 GLY QA 2 24 PHE QD 6.720 . 7.220 3.388 2.971 4.124 . 0 0 "[ . 1 . 2]" 1
568 2 24 PHE H 2 24 PHE HB2 4.140 . 4.640 3.754 2.099 4.029 . 0 0 "[ . 1 . 2]" 1
569 2 24 PHE H 2 24 PHE HB3 4.140 . 4.640 3.364 2.481 3.538 . 0 0 "[ . 1 . 2]" 1
570 2 24 PHE H 2 24 PHE QD 4.790 . 5.290 2.896 1.985 3.314 . 0 0 "[ . 1 . 2]" 1
571 2 24 PHE H 2 24 PHE QE 5.410 . 5.910 4.455 3.995 4.873 . 0 0 "[ . 1 . 2]" 1
572 2 24 PHE H 2 25 PHE H 4.460 . 4.960 4.350 2.806 4.572 . 0 0 "[ . 1 . 2]" 1
573 2 24 PHE HA 2 25 PHE H 3.560 . 4.060 2.453 2.213 3.532 . 0 0 "[ . 1 . 2]" 1
574 2 24 PHE QB 2 25 PHE H 3.940 . 4.440 2.442 2.268 2.785 . 0 0 "[ . 1 . 2]" 1
575 2 24 PHE QD 2 25 PHE H 5.290 . 5.790 3.432 2.841 4.589 . 0 0 "[ . 1 . 2]" 1
576 2 24 PHE QD 2 26 TYR H 6.170 . 6.670 3.471 2.416 4.320 . 0 0 "[ . 1 . 2]" 1
577 2 24 PHE QE 2 26 TYR QB 5.430 . 5.930 2.837 2.185 4.351 . 0 0 "[ . 1 . 2]" 1
578 2 25 PHE H 2 25 PHE HB2 4.000 . 4.500 2.951 2.310 3.869 . 0 0 "[ . 1 . 2]" 1
579 2 25 PHE H 2 25 PHE QB 3.720 . 4.220 2.574 2.151 3.083 . 0 0 "[ . 1 . 2]" 1
580 2 25 PHE H 2 25 PHE HB3 4.000 . 4.500 3.094 2.474 3.853 . 0 0 "[ . 1 . 2]" 1
581 2 25 PHE H 2 25 PHE QD 5.120 . 5.620 3.744 2.043 4.547 . 0 0 "[ . 1 . 2]" 1
582 2 25 PHE QB 2 26 TYR H 5.010 . 5.510 3.351 2.494 3.950 . 0 0 "[ . 1 . 2]" 1
583 2 25 PHE QB 2 27 THR H 5.710 . 6.210 4.135 2.751 5.194 . 0 0 "[ . 1 . 2]" 1
584 2 25 PHE QD 2 26 TYR H 5.140 . 5.640 3.838 2.526 4.632 . 0 0 "[ . 1 . 2]" 1
585 2 25 PHE QD 2 27 THR HB 6.170 . 6.670 4.816 2.597 5.591 . 0 0 "[ . 1 . 2]" 1
586 2 26 TYR H 2 26 TYR HB2 3.700 . 4.200 3.388 2.062 3.878 . 0 0 "[ . 1 . 2]" 1
587 2 26 TYR H 2 26 TYR QB 3.580 . 4.080 2.654 2.041 3.150 . 0 0 "[ . 1 . 2]" 1
588 2 26 TYR H 2 26 TYR HB3 3.700 . 4.200 2.977 2.349 3.344 . 0 0 "[ . 1 . 2]" 1
589 2 26 TYR H 2 26 TYR QD 4.680 . 5.180 2.699 2.155 3.362 . 0 0 "[ . 1 . 2]" 1
590 2 26 TYR H 2 26 TYR QE 5.940 . 6.440 4.451 3.878 5.504 . 0 0 "[ . 1 . 2]" 1
591 2 26 TYR HA 2 26 TYR QD 4.210 . 4.710 3.577 2.740 3.776 . 0 0 "[ . 1 . 2]" 1
592 2 26 TYR HA 2 27 THR H 3.540 . 4.040 3.045 2.033 3.546 . 0 0 "[ . 1 . 2]" 1
593 2 26 TYR QB 2 27 THR H 4.460 . 4.960 3.826 2.978 4.039 . 0 0 "[ . 1 . 2]" 1
594 2 26 TYR HB2 2 27 THR H 4.630 . 5.130 4.273 3.053 4.550 . 0 0 "[ . 1 . 2]" 1
595 2 26 TYR HB3 2 27 THR H 4.630 . 5.130 4.353 4.012 4.602 . 0 0 "[ . 1 . 2]" 1
596 2 26 TYR QD 2 27 THR H 5.650 . 6.150 3.991 3.259 5.031 . 0 0 "[ . 1 . 2]" 1
597 2 26 TYR QD 2 28 PRO QD 6.110 . 6.610 4.261 2.372 4.917 . 0 0 "[ . 1 . 2]" 1
598 2 27 THR H 2 27 THR HB 3.850 . 4.350 2.910 2.397 3.667 . 0 0 "[ . 1 . 2]" 1
599 2 27 THR H 2 28 PRO QD 5.050 . 5.550 4.016 2.324 4.514 . 0 0 "[ . 1 . 2]" 1
600 2 27 THR HA 2 28 PRO QD 3.500 . 4.000 2.120 1.988 2.518 . 0 0 "[ . 1 . 2]" 1
601 2 27 THR HB 2 28 PRO QD 4.940 . 5.440 4.020 2.252 4.440 . 0 0 "[ . 1 . 2]" 1
602 2 27 THR MG 2 28 PRO QD 5.310 . 5.810 2.923 2.096 3.977 . 0 0 "[ . 1 . 2]" 1
603 2 27 THR MG 2 29 LYS H 6.200 . 6.700 4.059 1.950 5.177 . 0 0 "[ . 1 . 2]" 1
604 2 28 PRO HA 2 29 LYS H 4.090 . 4.590 2.843 2.130 3.573 . 0 0 "[ . 1 . 2]" 1
605 2 28 PRO QD 2 29 LYS H 5.740 . 6.240 3.916 2.695 5.005 . 0 0 "[ . 1 . 2]" 1
606 2 29 LYS H 2 30 THR H 4.410 . 4.910 3.624 2.198 4.557 . 0 0 "[ . 1 . 2]" 1
607 2 29 LYS QB 2 30 THR H 4.690 . 5.190 3.048 1.839 4.027 . 0 0 "[ . 1 . 2]" 1
608 2 29 LYS HB2 2 30 THR H 4.750 . 5.250 3.711 1.847 4.490 . 0 0 "[ . 1 . 2]" 1
609 2 29 LYS HB3 2 30 THR H 4.750 . 5.250 3.512 2.491 4.551 . 0 0 "[ . 1 . 2]" 1
610 2 30 THR H 2 30 THR HB 4.000 . 4.500 3.370 2.491 4.012 . 0 0 "[ . 1 . 2]" 1
611 2 30 THR H 2 30 THR MG 4.500 . 5.000 2.874 2.170 3.856 . 0 0 "[ . 1 . 2]" 1
612 2 30 THR HA 2 31 LYS QB 5.150 . 5.650 4.361 3.792 4.730 . 0 0 "[ . 1 . 2]" 1
613 2 30 THR MG 2 31 LYS H 6.150 . 6.650 3.508 2.022 4.403 . 0 0 "[ . 1 . 2]" 1
614 2 31 LYS QB 2 32 ARG H 4.910 . 5.410 3.296 1.830 4.034 . 0 0 "[ . 1 . 2]" 1
615 2 31 LYS QG 2 32 ARG H 5.580 . 6.080 3.587 2.341 4.812 . 0 0 "[ . 1 . 2]" 1
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