NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
620496 |
5t3m   |
30160 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5t3m
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 12
_Distance_constraint_stats_list.Viol_count 197
_Distance_constraint_stats_list.Viol_total 846.667
_Distance_constraint_stats_list.Viol_max 0.825
_Distance_constraint_stats_list.Viol_rms 0.2383
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1764
_Distance_constraint_stats_list.Viol_average_violations_only 0.2149
_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 2 CYS 10.908 0.425 13 0 "[ . 1 . 2]"
1 9 CYS 19.719 0.825 11 20 [****-*****+*********]
1 16 CYS 11.707 0.429 16 0 "[ . 1 . 2]"
1 17 CYS 10.908 0.425 13 0 "[ . 1 . 2]"
1 24 CYS 19.719 0.825 11 20 [****-*****+*********]
1 31 CYS 11.707 0.429 16 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 2 CYS SG 1 17 CYS SG . . 2.010 2.015 2.009 2.040 0.030 8 0 "[ . 1 . 2]" 1
2 1 2 CYS SG 1 17 CYS CB . . 2.990 3.071 3.069 3.072 0.082 1 0 "[ . 1 . 2]" 1
3 1 2 CYS CB 1 17 CYS SG . . 2.990 3.052 3.005 3.071 0.081 18 0 "[ . 1 . 2]" 1
4 1 2 CYS CB 1 17 CYS CB . . 3.400 3.798 3.749 3.825 0.425 13 0 "[ . 1 . 2]" 1
5 1 9 CYS SG 1 24 CYS SG . . 2.010 2.004 2.003 2.005 . 0 0 "[ . 1 . 2]" 1
6 1 9 CYS SG 1 24 CYS CB . . 2.990 3.078 3.075 3.080 0.090 15 0 "[ . 1 . 2]" 1
7 1 9 CYS CB 1 24 CYS SG . . 2.990 3.066 3.058 3.070 0.080 11 0 "[ . 1 . 2]" 1
8 1 9 CYS CB 1 24 CYS CB . . 3.400 4.222 4.219 4.225 0.825 11 20 [****-*****+*********] 1
9 1 16 CYS SG 1 31 CYS SG . . 2.010 2.007 2.006 2.008 . 0 0 "[ . 1 . 2]" 1
10 1 16 CYS SG 1 31 CYS CB . . 2.990 3.073 3.071 3.075 0.085 14 0 "[ . 1 . 2]" 1
11 1 16 CYS CB 1 31 CYS SG . . 2.990 3.070 3.059 3.073 0.083 6 0 "[ . 1 . 2]" 1
12 1 16 CYS CB 1 31 CYS CB . . 3.400 3.823 3.811 3.829 0.429 16 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 779
_Distance_constraint_stats_list.Viol_count 781
_Distance_constraint_stats_list.Viol_total 243.859
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0156
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 CYS 0.020 0.005 12 0 "[ . 1 . 2]"
1 3 LEU 0.089 0.008 8 0 "[ . 1 . 2]"
1 4 GLY 0.124 0.012 19 0 "[ . 1 . 2]"
1 5 ILE 0.335 0.010 18 0 "[ . 1 . 2]"
1 6 PHE 0.726 0.022 20 0 "[ . 1 . 2]"
1 7 LYS 0.074 0.008 15 0 "[ . 1 . 2]"
1 8 ALA 1.619 0.065 20 0 "[ . 1 . 2]"
1 9 CYS 0.207 0.023 8 0 "[ . 1 . 2]"
1 10 ASN 0.613 0.019 11 0 "[ . 1 . 2]"
1 11 PRO 3.747 0.100 3 0 "[ . 1 . 2]"
1 12 SER 0.034 0.009 14 0 "[ . 1 . 2]"
1 13 ASN 0.029 0.009 14 0 "[ . 1 . 2]"
1 14 ASP 0.073 0.013 20 0 "[ . 1 . 2]"
1 15 GLN 0.295 0.018 13 0 "[ . 1 . 2]"
1 16 CYS 0.412 0.018 20 0 "[ . 1 . 2]"
1 17 CYS 0.024 0.006 6 0 "[ . 1 . 2]"
1 18 LYS 0.101 0.014 18 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.005 0.002 14 0 "[ . 1 . 2]"
1 21 LYS 1.539 0.054 17 0 "[ . 1 . 2]"
1 22 LEU 3.762 0.054 17 0 "[ . 1 . 2]"
1 23 VAL 0.422 0.012 16 0 "[ . 1 . 2]"
1 24 CYS 2.333 0.100 3 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ARG 0.051 0.008 12 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ARG 3.027 0.065 20 0 "[ . 1 . 2]"
1 30 TRP 0.567 0.023 8 0 "[ . 1 . 2]"
1 31 CYS 1.898 0.035 14 0 "[ . 1 . 2]"
1 32 LYS 0.760 0.031 14 0 "[ . 1 . 2]"
1 33 TRP 0.606 0.029 12 0 "[ . 1 . 2]"
1 34 GLN 0.249 0.012 16 0 "[ . 1 . 2]"
1 35 ILE 0.002 0.002 11 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 10 ASN HD21 1 13 ASN HB3 . . 4.240 3.527 2.595 3.881 . 0 0 "[ . 1 . 2]" 2
2 1 34 GLN HE22 1 35 ILE MG . . 5.130 3.723 2.903 4.655 . 0 0 "[ . 1 . 2]" 2
3 1 34 GLN HE21 1 35 ILE MG . . 5.130 4.004 3.118 5.128 . 0 0 "[ . 1 . 2]" 2
4 1 24 CYS HA 1 25 SER H . . 2.740 2.144 2.140 2.149 . 0 0 "[ . 1 . 2]" 2
5 1 3 LEU H 1 17 CYS HA . . 4.260 4.194 4.107 4.230 . 0 0 "[ . 1 . 2]" 2
6 1 2 CYS HB2 1 3 LEU H . . 3.140 2.344 2.289 2.373 . 0 0 "[ . 1 . 2]" 2
7 1 3 LEU H 1 15 GLN HB3 . . 4.340 4.083 3.964 4.213 . 0 0 "[ . 1 . 2]" 2
8 1 3 LEU H 1 3 LEU HB2 . . 3.010 2.560 2.527 2.592 . 0 0 "[ . 1 . 2]" 2
9 1 3 LEU H 1 3 LEU HG . . 2.970 2.400 2.330 2.474 . 0 0 "[ . 1 . 2]" 2
10 1 3 LEU H 1 3 LEU HB3 . . 3.860 3.653 3.646 3.666 . 0 0 "[ . 1 . 2]" 2
11 1 3 LEU H 1 3 LEU MD1 . . 3.930 3.374 3.270 3.461 . 0 0 "[ . 1 . 2]" 2
12 1 3 LEU H 1 3 LEU MD2 . . 3.870 3.747 3.668 3.810 . 0 0 "[ . 1 . 2]" 2
13 1 3 LEU H 1 16 CYS HA . . 3.360 2.117 2.048 2.178 . 0 0 "[ . 1 . 2]" 2
14 1 3 LEU H 1 17 CYS H . . 3.710 3.386 3.324 3.438 . 0 0 "[ . 1 . 2]" 2
15 1 4 GLY H 1 7 LYS HB2 . . 4.400 3.825 3.774 3.893 . 0 0 "[ . 1 . 2]" 2
16 1 3 LEU HB2 1 4 GLY H . . 4.530 4.119 4.078 4.188 . 0 0 "[ . 1 . 2]" 2
17 1 4 GLY H 1 7 LYS HB3 . . 4.910 4.321 4.287 4.340 . 0 0 "[ . 1 . 2]" 2
18 1 4 GLY H 1 7 LYS HG3 . . 3.380 2.620 2.496 2.701 . 0 0 "[ . 1 . 2]" 2
19 1 4 GLY H 1 7 LYS HG2 . . 4.230 4.152 3.992 4.231 0.001 14 0 "[ . 1 . 2]" 2
20 1 3 LEU MD2 1 4 GLY H . . 4.030 3.882 3.704 4.013 . 0 0 "[ . 1 . 2]" 2
21 1 3 LEU H 1 4 GLY H . . 4.810 4.488 4.461 4.501 . 0 0 "[ . 1 . 2]" 2
22 1 5 ILE H 1 5 ILE HG13 . . 4.700 4.506 4.478 4.515 . 0 0 "[ . 1 . 2]" 2
23 1 5 ILE H 1 5 ILE MG . . 2.900 2.001 1.923 2.128 . 0 0 "[ . 1 . 2]" 2
24 1 4 GLY HA2 1 5 ILE H . . 3.010 2.689 2.626 2.721 . 0 0 "[ . 1 . 2]" 2
25 1 4 GLY HA3 1 5 ILE H . . 2.970 2.444 2.416 2.501 . 0 0 "[ . 1 . 2]" 2
26 1 5 ILE H 1 5 ILE HB . . 2.780 2.693 2.657 2.711 . 0 0 "[ . 1 . 2]" 2
27 1 5 ILE H 1 22 LEU MD1 . . 3.430 3.381 3.251 3.435 0.005 15 0 "[ . 1 . 2]" 2
28 1 5 ILE H 1 5 ILE HG12 . . 4.700 4.454 4.448 4.466 . 0 0 "[ . 1 . 2]" 2
29 1 5 ILE H 1 22 LEU MD2 . . 4.210 3.875 3.814 3.924 . 0 0 "[ . 1 . 2]" 2
30 1 5 ILE H 1 6 PHE H . . 4.630 4.599 4.594 4.609 . 0 0 "[ . 1 . 2]" 2
31 1 6 PHE H 1 31 CYS HB2 . . 3.020 2.710 2.690 2.739 . 0 0 "[ . 1 . 2]" 2
32 1 6 PHE H 1 30 TRP HB2 . . 4.950 4.772 4.766 4.777 . 0 0 "[ . 1 . 2]" 2
33 1 6 PHE H 1 31 CYS HB3 . . 4.030 3.862 3.856 3.868 . 0 0 "[ . 1 . 2]" 2
34 1 5 ILE MG 1 6 PHE H . . 4.480 3.727 3.656 3.776 . 0 0 "[ . 1 . 2]" 2
35 1 5 ILE HG12 1 6 PHE H . . 3.530 2.445 2.375 2.585 . 0 0 "[ . 1 . 2]" 2
36 1 6 PHE H 1 22 LEU MD2 . . 4.690 3.240 3.215 3.260 . 0 0 "[ . 1 . 2]" 2
37 1 5 ILE HG13 1 6 PHE H . . 3.530 2.447 2.333 2.492 . 0 0 "[ . 1 . 2]" 2
38 1 6 PHE H 1 7 LYS H . . 3.490 2.750 2.744 2.764 . 0 0 "[ . 1 . 2]" 2
39 1 6 PHE H 1 30 TRP HD1 . . 4.440 3.474 3.456 3.485 . 0 0 "[ . 1 . 2]" 2
40 1 6 PHE H 1 6 PHE QD . . 4.090 3.552 3.316 3.720 . 0 0 "[ . 1 . 2]" 2
41 1 7 LYS H 1 31 CYS HB2 . . 3.210 2.428 2.417 2.436 . 0 0 "[ . 1 . 2]" 2
42 1 6 PHE HB3 1 7 LYS H . . 4.560 4.401 4.375 4.436 . 0 0 "[ . 1 . 2]" 2
43 1 7 LYS H 1 30 TRP HB2 . . 4.480 3.331 3.294 3.346 . 0 0 "[ . 1 . 2]" 2
44 1 7 LYS H 1 31 CYS HB3 . . 4.230 4.180 4.168 4.189 . 0 0 "[ . 1 . 2]" 2
45 1 7 LYS H 1 7 LYS HB2 . . 2.960 2.489 2.441 2.572 . 0 0 "[ . 1 . 2]" 2
46 1 7 LYS H 1 7 LYS HB3 . . 3.930 3.678 3.632 3.734 . 0 0 "[ . 1 . 2]" 2
47 1 7 LYS H 1 7 LYS HG2 . . 3.350 3.160 2.867 3.354 0.004 9 0 "[ . 1 . 2]" 2
48 1 7 LYS H 1 31 CYS H . . 3.770 2.616 2.584 2.628 . 0 0 "[ . 1 . 2]" 2
49 1 6 PHE HB2 1 7 LYS H . . 4.560 4.283 4.261 4.308 . 0 0 "[ . 1 . 2]" 2
50 1 8 ALA H 1 30 TRP HB3 . . 5.020 4.775 4.756 4.798 . 0 0 "[ . 1 . 2]" 2
51 1 7 LYS HB2 1 8 ALA H . . 4.600 4.308 4.226 4.360 . 0 0 "[ . 1 . 2]" 2
52 1 7 LYS HB3 1 8 ALA H . . 3.570 3.334 3.303 3.363 . 0 0 "[ . 1 . 2]" 2
53 1 8 ALA H 1 8 ALA MB . . 2.730 2.169 2.027 2.235 . 0 0 "[ . 1 . 2]" 2
54 1 7 LYS H 1 8 ALA H . . 4.950 4.362 4.355 4.367 . 0 0 "[ . 1 . 2]" 2
55 1 9 CYS H 1 29 ARG HB3 . . 4.130 3.420 3.365 3.463 . 0 0 "[ . 1 . 2]" 2
56 1 8 ALA MB 1 9 CYS H . . 3.390 2.768 2.727 2.848 . 0 0 "[ . 1 . 2]" 2
57 1 9 CYS H 1 30 TRP HB3 . . 4.470 4.306 4.250 4.345 . 0 0 "[ . 1 . 2]" 2
58 1 9 CYS H 1 9 CYS HB3 . . 3.940 3.683 3.663 3.690 . 0 0 "[ . 1 . 2]" 2
59 1 9 CYS H 1 30 TRP HB2 . . 4.780 4.778 4.739 4.803 0.023 8 0 "[ . 1 . 2]" 2
60 1 9 CYS H 1 29 ARG HB2 . . 5.080 4.782 4.756 4.808 . 0 0 "[ . 1 . 2]" 2
61 1 8 ALA HA 1 9 CYS H . . 3.050 2.248 2.243 2.253 . 0 0 "[ . 1 . 2]" 2
62 1 9 CYS H 1 10 ASN H . . 4.740 4.358 4.357 4.359 . 0 0 "[ . 1 . 2]" 2
63 1 10 ASN H 1 14 ASP HA . . 4.510 4.036 3.898 4.127 . 0 0 "[ . 1 . 2]" 2
64 1 10 ASN H 1 10 ASN HB3 . . 3.800 3.100 2.986 3.396 . 0 0 "[ . 1 . 2]" 2
65 1 10 ASN H 1 11 PRO HD3 . . 4.930 4.845 4.823 4.864 . 0 0 "[ . 1 . 2]" 2
66 1 3 LEU MD1 1 10 ASN H . . 4.330 3.948 3.852 4.004 . 0 0 "[ . 1 . 2]" 2
67 1 9 CYS HA 1 10 ASN H . . 3.400 2.624 2.622 2.625 . 0 0 "[ . 1 . 2]" 2
68 1 10 ASN H 1 15 GLN H . . 5.030 5.045 5.041 5.048 0.018 13 0 "[ . 1 . 2]" 2
69 1 12 SER H 1 12 SER HB3 . . 3.890 3.013 2.210 3.593 . 0 0 "[ . 1 . 2]" 2
70 1 11 PRO HB2 1 12 SER H . . 4.000 3.378 3.359 3.421 . 0 0 "[ . 1 . 2]" 2
71 1 11 PRO HG3 1 12 SER H . . 5.140 3.921 3.904 3.962 . 0 0 "[ . 1 . 2]" 2
72 1 12 SER H 1 13 ASN HB3 . . 5.500 5.436 5.354 5.509 0.009 14 0 "[ . 1 . 2]" 2
73 1 12 SER H 1 13 ASN HB2 . . 5.500 5.054 5.008 5.110 . 0 0 "[ . 1 . 2]" 2
74 1 10 ASN HA 1 12 SER H . . 4.500 3.979 3.931 4.005 . 0 0 "[ . 1 . 2]" 2
75 1 10 ASN HD22 1 12 SER H . . 5.150 4.754 4.379 5.151 0.001 19 0 "[ . 1 . 2]" 2
76 1 13 ASN H 1 14 ASP HA . . 4.350 4.168 4.148 4.180 . 0 0 "[ . 1 . 2]" 2
77 1 12 SER HB3 1 13 ASN H . . 4.350 3.559 2.890 4.177 . 0 0 "[ . 1 . 2]" 2
78 1 13 ASN H 1 13 ASN HB3 . . 3.710 2.994 2.927 3.058 . 0 0 "[ . 1 . 2]" 2
79 1 13 ASN H 1 13 ASN HB2 . . 3.900 2.909 2.868 2.958 . 0 0 "[ . 1 . 2]" 2
80 1 10 ASN HA 1 13 ASN H . . 4.920 4.733 4.713 4.761 . 0 0 "[ . 1 . 2]" 2
81 1 10 ASN H 1 13 ASN H . . 4.940 4.493 4.455 4.525 . 0 0 "[ . 1 . 2]" 2
82 1 13 ASN H 1 14 ASP H . . 3.540 2.683 2.638 2.730 . 0 0 "[ . 1 . 2]" 2
83 1 11 PRO HD2 1 12 SER H . . 3.450 2.649 2.647 2.654 . 0 0 "[ . 1 . 2]" 2
84 1 12 SER HB2 1 13 ASN H . . 4.350 3.466 2.864 4.206 . 0 0 "[ . 1 . 2]" 2
85 1 12 SER HA 1 14 ASP H . . 5.100 4.368 4.336 4.434 . 0 0 "[ . 1 . 2]" 2
86 1 13 ASN HB3 1 14 ASP H . . 4.700 4.236 4.215 4.258 . 0 0 "[ . 1 . 2]" 2
87 1 13 ASN HB2 1 14 ASP H . . 5.140 4.572 4.552 4.595 . 0 0 "[ . 1 . 2]" 2
88 1 14 ASP H 1 14 ASP HB3 . . 2.980 2.336 2.325 2.350 . 0 0 "[ . 1 . 2]" 2
89 1 13 ASN HA 1 14 ASP H . . 2.920 2.757 2.722 2.784 . 0 0 "[ . 1 . 2]" 2
90 1 14 ASP H 1 14 ASP HB2 . . 2.880 2.752 2.735 2.766 . 0 0 "[ . 1 . 2]" 2
91 1 11 PRO HA 1 14 ASP H . . 4.810 3.499 3.457 3.557 . 0 0 "[ . 1 . 2]" 2
92 1 14 ASP H 1 15 GLN H . . 4.900 4.574 4.554 4.605 . 0 0 "[ . 1 . 2]" 2
93 1 14 ASP H 1 24 CYS HB2 . . 5.240 5.218 5.153 5.251 0.011 20 0 "[ . 1 . 2]" 2
94 1 9 CYS HB2 1 15 GLN H . . 4.270 3.969 3.951 3.989 . 0 0 "[ . 1 . 2]" 2
95 1 15 GLN H 1 15 GLN HB3 . . 4.020 3.793 3.770 3.815 . 0 0 "[ . 1 . 2]" 2
96 1 3 LEU MD1 1 15 GLN H . . 4.130 2.357 2.187 2.542 . 0 0 "[ . 1 . 2]" 2
97 1 15 GLN H 1 15 GLN HB2 . . 3.270 2.726 2.687 2.771 . 0 0 "[ . 1 . 2]" 2
98 1 14 ASP HB3 1 15 GLN H . . 4.550 4.295 4.222 4.331 . 0 0 "[ . 1 . 2]" 2
99 1 16 CYS H 1 24 CYS HB2 . . 4.190 4.058 4.021 4.085 . 0 0 "[ . 1 . 2]" 2
100 1 16 CYS H 1 16 CYS HB2 . . 2.990 2.527 2.523 2.532 . 0 0 "[ . 1 . 2]" 2
101 1 16 CYS H 1 16 CYS HB3 . . 3.670 3.594 3.592 3.596 . 0 0 "[ . 1 . 2]" 2
102 1 3 LEU HB2 1 16 CYS H . . 4.520 4.169 4.143 4.190 . 0 0 "[ . 1 . 2]" 2
103 1 15 GLN HB2 1 16 CYS H . . 4.860 4.197 4.187 4.206 . 0 0 "[ . 1 . 2]" 2
104 1 3 LEU MD1 1 16 CYS H . . 4.490 3.357 3.140 3.547 . 0 0 "[ . 1 . 2]" 2
105 1 15 GLN H 1 16 CYS H . . 3.160 2.337 2.252 2.384 . 0 0 "[ . 1 . 2]" 2
106 1 4 GLY HA2 1 17 CYS H . . 4.610 4.131 4.089 4.164 . 0 0 "[ . 1 . 2]" 2
107 1 17 CYS H 1 17 CYS HB2 . . 3.470 2.397 2.383 2.406 . 0 0 "[ . 1 . 2]" 2
108 1 16 CYS HB2 1 17 CYS H . . 3.920 3.404 3.345 3.483 . 0 0 "[ . 1 . 2]" 2
109 1 16 CYS HB3 1 17 CYS H . . 3.670 2.259 2.203 2.345 . 0 0 "[ . 1 . 2]" 2
110 1 17 CYS H 1 22 LEU HB2 . . 3.480 2.844 2.781 2.928 . 0 0 "[ . 1 . 2]" 2
111 1 17 CYS H 1 22 LEU HG . . 5.500 5.025 4.955 5.095 . 0 0 "[ . 1 . 2]" 2
112 1 17 CYS H 1 22 LEU MD1 . . 3.290 2.720 2.621 2.783 . 0 0 "[ . 1 . 2]" 2
113 1 16 CYS HA 1 17 CYS H . . 2.840 2.492 2.450 2.522 . 0 0 "[ . 1 . 2]" 2
114 1 17 CYS HA 1 18 LYS H . . 2.790 2.275 2.271 2.278 . 0 0 "[ . 1 . 2]" 2
115 1 2 CYS HB3 1 18 LYS H . . 4.820 4.177 4.106 4.238 . 0 0 "[ . 1 . 2]" 2
116 1 2 CYS HB2 1 18 LYS H . . 3.980 3.882 3.825 3.963 . 0 0 "[ . 1 . 2]" 2
117 1 18 LYS H 1 18 LYS QB . . 3.000 2.474 2.372 2.554 . 0 0 "[ . 1 . 2]" 2
118 1 18 LYS H 1 18 LYS HG2 . . 3.260 2.142 1.974 2.378 . 0 0 "[ . 1 . 2]" 2
119 1 17 CYS HB3 1 18 LYS H . . 4.610 4.062 4.055 4.068 . 0 0 "[ . 1 . 2]" 2
120 1 17 CYS HB2 1 19 SER H . . 5.500 4.640 4.622 4.650 . 0 0 "[ . 1 . 2]" 2
121 1 18 LYS QB 1 19 SER H . . 5.460 2.748 2.737 2.775 . 0 0 "[ . 1 . 2]" 2
122 1 20 SER H 1 20 SER HB2 . . 3.880 2.249 2.235 2.257 . 0 0 "[ . 1 . 2]" 2
123 1 20 SER H 1 21 LYS HA . . 4.880 4.666 4.652 4.677 . 0 0 "[ . 1 . 2]" 2
124 1 20 SER H 1 20 SER HB3 . . 3.880 3.446 3.313 3.491 . 0 0 "[ . 1 . 2]" 2
125 1 17 CYS HB2 1 20 SER H . . 3.590 3.484 3.463 3.508 . 0 0 "[ . 1 . 2]" 2
126 1 17 CYS HB3 1 20 SER H . . 3.820 2.915 2.901 2.932 . 0 0 "[ . 1 . 2]" 2
127 1 18 LYS QB 1 20 SER H . . 4.870 4.668 4.659 4.677 . 0 0 "[ . 1 . 2]" 2
128 1 20 SER H 1 22 LEU HG . . 4.290 4.266 4.199 4.292 0.002 14 0 "[ . 1 . 2]" 2
129 1 20 SER H 1 22 LEU MD1 . . 4.500 3.073 2.999 3.106 . 0 0 "[ . 1 . 2]" 2
130 1 20 SER H 1 22 LEU HB2 . . 4.720 4.608 4.585 4.637 . 0 0 "[ . 1 . 2]" 2
131 1 19 SER H 1 20 SER H . . 4.100 2.753 2.751 2.758 . 0 0 "[ . 1 . 2]" 2
132 1 18 LYS HA 1 21 LYS H . . 3.540 3.526 3.501 3.543 0.003 17 0 "[ . 1 . 2]" 2
133 1 21 LYS H 1 21 LYS HB3 . . 4.080 3.766 3.764 3.771 . 0 0 "[ . 1 . 2]" 2
134 1 18 LYS QB 1 21 LYS H . . 4.440 4.444 4.428 4.454 0.014 18 0 "[ . 1 . 2]" 2
135 1 18 LYS QD 1 21 LYS H . . 5.470 5.093 4.879 5.328 . 0 0 "[ . 1 . 2]" 2
136 1 21 LYS H 1 21 LYS QD . . 5.500 5.062 5.052 5.067 . 0 0 "[ . 1 . 2]" 2
137 1 21 LYS H 1 22 LEU HG . . 4.400 4.210 4.168 4.231 . 0 0 "[ . 1 . 2]" 2
138 1 21 LYS H 1 22 LEU MD1 . . 4.910 4.305 4.255 4.327 . 0 0 "[ . 1 . 2]" 2
139 1 20 SER H 1 21 LYS H . . 3.000 2.669 2.657 2.679 . 0 0 "[ . 1 . 2]" 2
140 1 16 CYS HB2 1 22 LEU H . . 4.590 4.487 4.447 4.521 . 0 0 "[ . 1 . 2]" 2
141 1 16 CYS HB3 1 22 LEU H . . 4.570 4.579 4.574 4.584 0.014 18 0 "[ . 1 . 2]" 2
142 1 21 LYS HB3 1 22 LEU H . . 4.750 4.333 4.332 4.334 . 0 0 "[ . 1 . 2]" 2
143 1 21 LYS HB2 1 22 LEU H . . 4.920 4.640 4.638 4.641 . 0 0 "[ . 1 . 2]" 2
144 1 22 LEU H 1 22 LEU HB2 . . 3.100 2.660 2.657 2.668 . 0 0 "[ . 1 . 2]" 2
145 1 22 LEU H 1 22 LEU HG . . 3.110 2.984 2.941 3.004 . 0 0 "[ . 1 . 2]" 2
146 1 22 LEU H 1 22 LEU MD1 . . 3.620 3.467 3.433 3.486 . 0 0 "[ . 1 . 2]" 2
147 1 22 LEU H 1 22 LEU MD2 . . 4.270 4.210 4.191 4.218 . 0 0 "[ . 1 . 2]" 2
148 1 21 LYS H 1 22 LEU H . . 3.290 3.027 3.024 3.031 . 0 0 "[ . 1 . 2]" 2
149 1 22 LEU H 1 23 VAL H . . 4.770 4.422 4.411 4.438 . 0 0 "[ . 1 . 2]" 2
150 1 16 CYS HB3 1 23 VAL H . . 4.690 4.411 4.367 4.475 . 0 0 "[ . 1 . 2]" 2
151 1 23 VAL H 1 23 VAL HB . . 3.700 2.865 2.822 2.914 . 0 0 "[ . 1 . 2]" 2
152 1 23 VAL H 1 32 LYS HG2 . . 4.490 3.217 3.079 3.265 . 0 0 "[ . 1 . 2]" 2
153 1 22 LEU HB3 1 23 VAL H . . 3.380 2.985 2.942 3.033 . 0 0 "[ . 1 . 2]" 2
154 1 23 VAL H 1 23 VAL MG2 . . 3.630 3.057 2.975 3.089 . 0 0 "[ . 1 . 2]" 2
155 1 22 LEU MD2 1 23 VAL H . . 3.790 3.777 3.751 3.793 0.003 16 0 "[ . 1 . 2]" 2
156 1 23 VAL H 1 34 GLN H . . 4.940 4.762 4.697 4.861 . 0 0 "[ . 1 . 2]" 2
157 1 22 LEU HA 1 23 VAL H . . 2.730 2.205 2.193 2.216 . 0 0 "[ . 1 . 2]" 2
158 1 23 VAL H 1 31 CYS HA . . 4.300 3.362 3.335 3.431 . 0 0 "[ . 1 . 2]" 2
159 1 23 VAL H 1 32 LYS H . . 3.370 2.752 2.728 2.803 . 0 0 "[ . 1 . 2]" 2
160 1 14 ASP HA 1 24 CYS H . . 4.830 4.334 4.245 4.488 . 0 0 "[ . 1 . 2]" 2
161 1 24 CYS H 1 24 CYS HB2 . . 3.250 2.298 2.286 2.320 . 0 0 "[ . 1 . 2]" 2
162 1 16 CYS HB2 1 24 CYS H . . 4.470 3.743 3.715 3.794 . 0 0 "[ . 1 . 2]" 2
163 1 24 CYS H 1 24 CYS HB3 . . 3.270 2.840 2.823 2.848 . 0 0 "[ . 1 . 2]" 2
164 1 23 VAL MG1 1 24 CYS H . . 3.470 2.167 2.116 2.266 . 0 0 "[ . 1 . 2]" 2
165 1 23 VAL H 1 24 CYS H . . 5.340 4.292 4.273 4.332 . 0 0 "[ . 1 . 2]" 2
166 1 25 SER H 1 25 SER HB3 . . 3.100 2.876 2.863 2.890 . 0 0 "[ . 1 . 2]" 2
167 1 25 SER H 1 25 SER HB2 . . 3.030 2.289 2.272 2.310 . 0 0 "[ . 1 . 2]" 2
168 1 24 CYS HB2 1 25 SER H . . 4.850 4.529 4.501 4.545 . 0 0 "[ . 1 . 2]" 2
169 1 24 CYS HB3 1 25 SER H . . 4.590 4.139 4.103 4.164 . 0 0 "[ . 1 . 2]" 2
170 1 25 SER H 1 32 LYS QB . . 4.490 4.274 4.204 4.388 . 0 0 "[ . 1 . 2]" 2
171 1 25 SER H 1 32 LYS QD . . 4.550 3.474 3.235 3.545 . 0 0 "[ . 1 . 2]" 2
172 1 23 VAL MG1 1 25 SER H . . 4.540 4.389 4.317 4.539 . 0 0 "[ . 1 . 2]" 2
173 1 25 SER H 1 30 TRP H . . 3.930 2.737 2.689 2.776 . 0 0 "[ . 1 . 2]" 2
174 1 25 SER H 1 31 CYS HA . . 4.050 3.826 3.799 3.852 . 0 0 "[ . 1 . 2]" 2
175 1 24 CYS H 1 25 SER H . . 4.730 4.405 4.379 4.438 . 0 0 "[ . 1 . 2]" 2
176 1 25 SER H 1 32 LYS H . . 4.190 3.878 3.825 3.963 . 0 0 "[ . 1 . 2]" 2
177 1 25 SER H 1 29 ARG H . . 4.370 3.779 3.725 3.823 . 0 0 "[ . 1 . 2]" 2
178 1 25 SER H 1 31 CYS H . . 5.170 5.017 4.969 5.049 . 0 0 "[ . 1 . 2]" 2
179 1 25 SER H 1 26 ARG H . . 4.680 4.618 4.609 4.622 . 0 0 "[ . 1 . 2]" 2
180 1 25 SER HB3 1 26 ARG H . . 4.760 3.505 3.490 3.517 . 0 0 "[ . 1 . 2]" 2
181 1 26 ARG H 1 26 ARG QD . . 4.500 3.878 3.362 4.169 . 0 0 "[ . 1 . 2]" 2
182 1 11 PRO HB3 1 26 ARG H . . 5.110 3.762 3.728 3.805 . 0 0 "[ . 1 . 2]" 2
183 1 26 ARG H 1 26 ARG HG3 . . 3.060 2.316 1.972 2.538 . 0 0 "[ . 1 . 2]" 2
184 1 26 ARG H 1 26 ARG HG2 . . 3.930 3.376 2.765 3.910 . 0 0 "[ . 1 . 2]" 2
185 1 25 SER HB3 1 27 LYS H . . 3.710 3.090 3.087 3.095 . 0 0 "[ . 1 . 2]" 2
186 1 25 SER HA 1 27 LYS H . . 4.130 3.996 3.988 4.002 . 0 0 "[ . 1 . 2]" 2
187 1 26 ARG HB2 1 27 LYS H . . 4.030 2.946 2.931 2.962 . 0 0 "[ . 1 . 2]" 2
188 1 27 LYS H 1 27 LYS HB2 . . 3.060 2.550 2.421 2.735 . 0 0 "[ . 1 . 2]" 2
189 1 27 LYS H 1 27 LYS HB3 . . 3.380 2.678 2.493 2.819 . 0 0 "[ . 1 . 2]" 2
190 1 27 LYS H 1 28 THR H . . 3.210 2.296 2.294 2.299 . 0 0 "[ . 1 . 2]" 2
191 1 26 ARG H 1 27 LYS H . . 3.300 2.421 2.416 2.425 . 0 0 "[ . 1 . 2]" 2
192 1 25 SER HB3 1 28 THR H . . 3.870 1.935 1.927 1.939 . 0 0 "[ . 1 . 2]" 2
193 1 26 ARG HA 1 28 THR H . . 4.790 4.672 4.664 4.682 . 0 0 "[ . 1 . 2]" 2
194 1 27 LYS HB3 1 28 THR H . . 3.340 2.648 2.626 2.674 . 0 0 "[ . 1 . 2]" 2
195 1 27 LYS HG2 1 28 THR H . . 5.240 4.528 3.860 4.912 . 0 0 "[ . 1 . 2]" 2
196 1 28 THR H 1 29 ARG HG3 . . 5.500 4.553 4.449 4.704 . 0 0 "[ . 1 . 2]" 2
197 1 27 LYS HG3 1 28 THR H . . 5.240 4.519 3.876 5.144 . 0 0 "[ . 1 . 2]" 2
198 1 28 THR H 1 28 THR MG . . 3.480 1.899 1.895 1.902 . 0 0 "[ . 1 . 2]" 2
199 1 25 SER HB3 1 29 ARG H . . 3.540 2.623 2.582 2.649 . 0 0 "[ . 1 . 2]" 2
200 1 29 ARG H 1 29 ARG HA . . 2.750 2.274 2.274 2.275 . 0 0 "[ . 1 . 2]" 2
201 1 29 ARG H 1 29 ARG HB2 . . 4.110 3.420 3.398 3.435 . 0 0 "[ . 1 . 2]" 2
202 1 29 ARG H 1 29 ARG HG3 . . 3.480 3.141 3.028 3.306 . 0 0 "[ . 1 . 2]" 2
203 1 29 ARG H 1 29 ARG HG2 . . 3.790 3.656 3.513 3.754 . 0 0 "[ . 1 . 2]" 2
204 1 28 THR MG 1 29 ARG H . . 4.460 3.530 3.519 3.535 . 0 0 "[ . 1 . 2]" 2
205 1 29 ARG H 1 29 ARG HD2 . . 5.500 5.510 5.500 5.518 0.018 20 0 "[ . 1 . 2]" 2
206 1 29 ARG H 1 29 ARG HD3 . . 5.500 5.472 5.403 5.519 0.019 19 0 "[ . 1 . 2]" 2
207 1 28 THR H 1 29 ARG H . . 2.910 2.338 2.336 2.340 . 0 0 "[ . 1 . 2]" 2
208 1 26 ARG H 1 29 ARG H . . 5.020 4.328 4.314 4.337 . 0 0 "[ . 1 . 2]" 2
209 1 25 SER HB3 1 30 TRP H . . 3.630 3.441 3.407 3.468 . 0 0 "[ . 1 . 2]" 2
210 1 29 ARG HA 1 30 TRP H . . 3.230 2.900 2.895 2.909 . 0 0 "[ . 1 . 2]" 2
211 1 30 TRP H 1 30 TRP HB3 . . 4.170 3.219 3.212 3.223 . 0 0 "[ . 1 . 2]" 2
212 1 28 THR MG 1 30 TRP H . . 5.100 4.093 4.076 4.101 . 0 0 "[ . 1 . 2]" 2
213 1 28 THR HB 1 30 TRP H . . 4.430 3.817 3.803 3.828 . 0 0 "[ . 1 . 2]" 2
214 1 29 ARG HB2 1 30 TRP H . . 4.860 4.153 4.139 4.162 . 0 0 "[ . 1 . 2]" 2
215 1 29 ARG H 1 30 TRP H . . 3.340 2.643 2.640 2.646 . 0 0 "[ . 1 . 2]" 2
216 1 28 THR H 1 30 TRP H . . 4.420 4.227 4.219 4.235 . 0 0 "[ . 1 . 2]" 2
217 1 28 THR HB 1 30 TRP HE1 . . 4.390 4.005 4.001 4.009 . 0 0 "[ . 1 . 2]" 2
218 1 30 TRP HE1 1 32 LYS QD . . 4.780 4.103 4.057 4.176 . 0 0 "[ . 1 . 2]" 2
219 1 28 THR MG 1 30 TRP HE1 . . 4.550 3.955 3.951 3.960 . 0 0 "[ . 1 . 2]" 2
220 1 30 TRP HE1 1 32 LYS QB . . 4.130 2.433 2.402 2.468 . 0 0 "[ . 1 . 2]" 2
221 1 6 PHE QE 1 30 TRP HE1 . . 4.330 2.904 2.802 3.065 . 0 0 "[ . 1 . 2]" 2
222 1 6 PHE QD 1 30 TRP HE1 . . 4.560 3.102 2.908 3.384 . 0 0 "[ . 1 . 2]" 2
223 1 24 CYS HA 1 31 CYS H . . 5.440 3.805 3.783 3.860 . 0 0 "[ . 1 . 2]" 2
224 1 22 LEU HB3 1 31 CYS H . . 5.500 5.530 5.528 5.535 0.035 14 0 "[ . 1 . 2]" 2
225 1 6 PHE HA 1 31 CYS H . . 4.200 4.093 4.079 4.110 . 0 0 "[ . 1 . 2]" 2
226 1 31 CYS H 1 31 CYS HB2 . . 3.070 2.590 2.576 2.600 . 0 0 "[ . 1 . 2]" 2
227 1 30 TRP HB2 1 31 CYS H . . 3.180 2.824 2.819 2.827 . 0 0 "[ . 1 . 2]" 2
228 1 31 CYS H 1 31 CYS HB3 . . 3.850 3.591 3.590 3.592 . 0 0 "[ . 1 . 2]" 2
229 1 7 LYS HB3 1 31 CYS H . . 5.080 4.871 4.769 5.009 . 0 0 "[ . 1 . 2]" 2
230 1 8 ALA MB 1 31 CYS H . . 5.500 5.524 5.516 5.531 0.031 17 0 "[ . 1 . 2]" 2
231 1 31 CYS H 1 32 LYS H . . 4.720 4.420 4.417 4.422 . 0 0 "[ . 1 . 2]" 2
232 1 23 VAL HA 1 32 LYS H . . 5.010 4.794 4.772 4.837 . 0 0 "[ . 1 . 2]" 2
233 1 31 CYS HB2 1 32 LYS H . . 4.590 4.314 4.309 4.321 . 0 0 "[ . 1 . 2]" 2
234 1 31 CYS HB3 1 32 LYS H . . 3.930 3.622 3.614 3.626 . 0 0 "[ . 1 . 2]" 2
235 1 32 LYS H 1 32 LYS QB . . 3.390 2.682 2.671 2.708 . 0 0 "[ . 1 . 2]" 2
236 1 32 LYS H 1 32 LYS QD . . 4.500 3.461 3.196 3.525 . 0 0 "[ . 1 . 2]" 2
237 1 32 LYS H 1 32 LYS HG3 . . 3.680 3.688 3.661 3.711 0.031 14 0 "[ . 1 . 2]" 2
238 1 22 LEU HB3 1 32 LYS H . . 4.090 4.103 4.097 4.109 0.019 13 0 "[ . 1 . 2]" 2
239 1 22 LEU MD2 1 32 LYS H . . 4.470 4.066 4.024 4.120 . 0 0 "[ . 1 . 2]" 2
240 1 6 PHE H 1 32 LYS H . . 5.470 4.900 4.896 4.905 . 0 0 "[ . 1 . 2]" 2
241 1 22 LEU HA 1 32 LYS H . . 4.670 4.227 4.203 4.258 . 0 0 "[ . 1 . 2]" 2
242 1 31 CYS HA 1 32 LYS H . . 2.960 2.143 2.142 2.144 . 0 0 "[ . 1 . 2]" 2
243 1 32 LYS QD 1 33 TRP H . . 5.240 5.000 4.896 5.035 . 0 0 "[ . 1 . 2]" 2
244 1 32 LYS HG2 1 33 TRP H . . 4.700 4.390 4.245 4.428 . 0 0 "[ . 1 . 2]" 2
245 1 5 ILE MD 1 33 TRP H . . 3.720 3.246 3.188 3.374 . 0 0 "[ . 1 . 2]" 2
246 1 5 ILE HG13 1 33 TRP H . . 5.060 3.714 3.635 3.884 . 0 0 "[ . 1 . 2]" 2
247 1 32 LYS HA 1 33 TRP H . . 3.210 2.286 2.267 2.343 . 0 0 "[ . 1 . 2]" 2
248 1 33 TRP H 1 33 TRP HB3 . . 3.140 2.844 2.832 2.854 . 0 0 "[ . 1 . 2]" 2
249 1 33 TRP H 1 33 TRP HB2 . . 3.030 2.403 2.371 2.486 . 0 0 "[ . 1 . 2]" 2
250 1 32 LYS QB 1 33 TRP H . . 3.040 2.742 2.586 2.794 . 0 0 "[ . 1 . 2]" 2
251 1 5 ILE HG12 1 33 TRP H . . 5.060 4.604 4.537 4.767 . 0 0 "[ . 1 . 2]" 2
252 1 22 LEU MD2 1 33 TRP H . . 3.810 3.572 3.531 3.656 . 0 0 "[ . 1 . 2]" 2
253 1 33 TRP H 1 33 TRP HE3 . . 5.230 4.901 4.870 4.993 . 0 0 "[ . 1 . 2]" 2
254 1 33 TRP H 1 33 TRP HD1 . . 5.080 4.838 4.834 4.842 . 0 0 "[ . 1 . 2]" 2
255 1 32 LYS H 1 33 TRP H . . 4.720 4.538 4.531 4.548 . 0 0 "[ . 1 . 2]" 2
256 1 33 TRP H 1 34 GLN H . . 4.350 4.341 4.309 4.355 0.005 6 0 "[ . 1 . 2]" 2
257 1 21 LYS HB3 1 33 TRP HE1 . . 4.120 3.015 2.963 3.062 . 0 0 "[ . 1 . 2]" 2
258 1 21 LYS HB2 1 33 TRP HE1 . . 4.950 3.814 3.762 3.862 . 0 0 "[ . 1 . 2]" 2
259 1 21 LYS QD 1 33 TRP HE1 . . 4.890 4.399 4.340 4.451 . 0 0 "[ . 1 . 2]" 2
260 1 22 LEU MD1 1 33 TRP HE1 . . 5.500 5.504 5.502 5.507 0.007 5 0 "[ . 1 . 2]" 2
261 1 22 LEU MD2 1 33 TRP HE1 . . 4.760 4.722 4.681 4.751 . 0 0 "[ . 1 . 2]" 2
262 1 5 ILE MD 1 33 TRP HE1 . . 5.100 5.084 5.045 5.102 0.002 17 0 "[ . 1 . 2]" 2
263 1 21 LYS HB3 1 34 GLN H . . 4.080 3.595 3.549 3.617 . 0 0 "[ . 1 . 2]" 2
264 1 34 GLN H 1 34 GLN HG3 . . 4.490 4.137 3.595 4.435 . 0 0 "[ . 1 . 2]" 2
265 1 34 GLN H 1 34 GLN HB2 . . 3.310 2.218 2.194 2.228 . 0 0 "[ . 1 . 2]" 2
266 1 23 VAL MG2 1 34 GLN H . . 5.220 5.028 4.976 5.058 . 0 0 "[ . 1 . 2]" 2
267 1 22 LEU MD2 1 34 GLN H . . 4.050 3.971 3.926 4.014 . 0 0 "[ . 1 . 2]" 2
268 1 34 GLN H 1 34 GLN HB3 . . 3.440 3.380 3.297 3.430 . 0 0 "[ . 1 . 2]" 2
269 1 33 TRP HD1 1 34 GLN H . . 4.420 2.374 2.351 2.387 . 0 0 "[ . 1 . 2]" 2
270 1 33 TRP HA 1 34 GLN H . . 3.110 2.150 2.148 2.151 . 0 0 "[ . 1 . 2]" 2
271 1 22 LEU HA 1 34 GLN H . . 3.780 3.611 3.563 3.666 . 0 0 "[ . 1 . 2]" 2
272 1 34 GLN HB2 1 35 ILE H . . 4.430 4.246 4.179 4.316 . 0 0 "[ . 1 . 2]" 2
273 1 35 ILE H 1 35 ILE HB . . 3.760 2.804 2.543 3.680 . 0 0 "[ . 1 . 2]" 2
274 1 35 ILE H 1 35 ILE HG13 . . 4.700 4.335 2.963 4.684 . 0 0 "[ . 1 . 2]" 2
275 1 35 ILE H 1 35 ILE HG12 . . 4.700 4.344 2.041 4.702 0.002 11 0 "[ . 1 . 2]" 2
276 1 35 ILE H 1 35 ILE MG . . 3.980 2.058 1.934 2.657 . 0 0 "[ . 1 . 2]" 2
277 1 34 GLN H 1 35 ILE H . . 4.650 4.552 4.532 4.567 . 0 0 "[ . 1 . 2]" 2
278 1 12 SER H 1 13 ASN H . . 2.900 2.616 2.612 2.618 . 0 0 "[ . 1 . 2]" 2
279 1 3 LEU HG 1 17 CYS H . . 5.500 5.482 5.429 5.506 0.006 6 0 "[ . 1 . 2]" 2
280 1 17 CYS HA 1 19 SER H . . 5.500 3.420 3.409 3.427 . 0 0 "[ . 1 . 2]" 2
281 1 23 VAL H 1 32 LYS QD . . 4.910 4.850 4.538 4.914 0.004 4 0 "[ . 1 . 2]" 2
282 1 30 TRP H 1 30 TRP HB2 . . 4.210 3.990 3.987 3.993 . 0 0 "[ . 1 . 2]" 2
283 1 30 TRP H 1 31 CYS H . . 4.940 4.338 4.336 4.340 . 0 0 "[ . 1 . 2]" 2
284 1 5 ILE MD 1 6 PHE H . . 3.850 3.854 3.842 3.860 0.010 4 0 "[ . 1 . 2]" 2
285 1 9 CYS HB2 1 10 ASN H . . 3.150 1.975 1.972 1.978 . 0 0 "[ . 1 . 2]" 2
286 1 11 PRO HG2 1 12 SER H . . 3.940 2.424 2.401 2.480 . 0 0 "[ . 1 . 2]" 2
287 1 21 LYS H 1 21 LYS HG2 . . 4.220 4.072 4.062 4.077 . 0 0 "[ . 1 . 2]" 2
288 1 21 LYS H 1 21 LYS HB2 . . 4.130 2.937 2.935 2.939 . 0 0 "[ . 1 . 2]" 2
289 1 27 LYS HB3 1 29 ARG H . . 5.090 4.852 4.836 4.873 . 0 0 "[ . 1 . 2]" 2
290 1 25 SER HB2 1 30 TRP H . . 4.020 3.937 3.869 3.999 . 0 0 "[ . 1 . 2]" 2
291 1 32 LYS HG3 1 33 TRP H . . 4.280 3.713 3.607 3.755 . 0 0 "[ . 1 . 2]" 2
292 1 34 GLN H 1 34 GLN HG2 . . 4.490 3.746 3.586 4.050 . 0 0 "[ . 1 . 2]" 2
293 1 33 TRP HA 1 33 TRP HE3 . . 5.200 4.954 4.946 4.973 . 0 0 "[ . 1 . 2]" 2
294 1 5 ILE MD 1 6 PHE HZ . . 4.590 3.870 3.301 4.310 . 0 0 "[ . 1 . 2]" 2
295 1 30 TRP HD1 1 31 CYS HB3 . . 5.500 4.802 4.796 4.810 . 0 0 "[ . 1 . 2]" 2
296 1 30 TRP HD1 1 32 LYS QB . . 3.660 3.182 3.155 3.221 . 0 0 "[ . 1 . 2]" 2
297 1 30 TRP HD1 1 32 LYS HA . . 4.100 3.035 3.019 3.044 . 0 0 "[ . 1 . 2]" 2
298 1 6 PHE QD 1 30 TRP HD1 . . 4.180 3.373 3.206 3.665 . 0 0 "[ . 1 . 2]" 2
299 1 30 TRP HD1 1 31 CYS H . . 4.770 3.177 3.170 3.182 . 0 0 "[ . 1 . 2]" 2
300 1 28 THR MG 1 30 TRP HH2 . . 4.580 3.774 3.760 3.790 . 0 0 "[ . 1 . 2]" 2
301 1 28 THR MG 1 30 TRP HZ2 . . 3.890 3.415 3.408 3.422 . 0 0 "[ . 1 . 2]" 2
302 1 33 TRP HB2 1 33 TRP HD1 . . 3.850 3.773 3.761 3.778 . 0 0 "[ . 1 . 2]" 2
303 1 21 LYS HB3 1 33 TRP HD1 . . 3.650 2.824 2.795 2.849 . 0 0 "[ . 1 . 2]" 2
304 1 22 LEU MD2 1 33 TRP HD1 . . 4.040 3.777 3.756 3.810 . 0 0 "[ . 1 . 2]" 2
305 1 33 TRP HA 1 33 TRP HD1 . . 3.780 2.311 2.296 2.324 . 0 0 "[ . 1 . 2]" 2
306 1 33 TRP HB3 1 33 TRP HE3 . . 3.890 3.272 3.244 3.286 . 0 0 "[ . 1 . 2]" 2
307 1 33 TRP HB2 1 33 TRP HE3 . . 4.010 2.655 2.644 2.677 . 0 0 "[ . 1 . 2]" 2
308 1 30 TRP HD1 1 32 LYS HG2 . . 5.170 5.093 5.076 5.104 . 0 0 "[ . 1 . 2]" 2
309 1 30 TRP HA 1 30 TRP HD1 . . 4.600 3.947 3.945 3.948 . 0 0 "[ . 1 . 2]" 2
310 1 35 ILE HA 1 35 ILE MD . . 4.760 2.987 2.045 4.173 . 0 0 "[ . 1 . 2]" 2
311 1 1 GLY QA 1 2 CYS HA . . 4.360 3.989 3.932 4.116 . 0 0 "[ . 1 . 2]" 2
312 1 2 CYS HA 1 2 CYS HB3 . . 2.930 2.412 2.394 2.428 . 0 0 "[ . 1 . 2]" 2
313 1 2 CYS HA 1 2 CYS HB2 . . 2.950 2.496 2.477 2.517 . 0 0 "[ . 1 . 2]" 2
314 1 2 CYS HA 1 15 GLN HB3 . . 3.630 3.374 3.267 3.484 . 0 0 "[ . 1 . 2]" 2
315 1 2 CYS HA 1 15 GLN HB2 . . 4.710 4.637 4.571 4.705 . 0 0 "[ . 1 . 2]" 2
316 1 2 CYS HA 1 3 LEU HG . . 4.000 3.502 3.460 3.550 . 0 0 "[ . 1 . 2]" 2
317 1 2 CYS HA 1 3 LEU H . . 2.850 2.442 2.429 2.466 . 0 0 "[ . 1 . 2]" 2
318 1 2 CYS HB2 1 17 CYS H . . 4.740 3.061 2.981 3.111 . 0 0 "[ . 1 . 2]" 2
319 1 2 CYS HB3 1 17 CYS HA . . 3.370 2.790 2.719 2.830 . 0 0 "[ . 1 . 2]" 2
320 1 2 CYS HB3 1 17 CYS H . . 4.760 4.721 4.634 4.763 0.003 14 0 "[ . 1 . 2]" 2
321 1 2 CYS HB3 1 3 LEU H . . 3.690 3.679 3.621 3.695 0.005 12 0 "[ . 1 . 2]" 2
322 1 3 LEU HA 1 3 LEU HB3 . . 2.990 2.407 2.390 2.424 . 0 0 "[ . 1 . 2]" 2
323 1 3 LEU HA 1 4 GLY HA3 . . 4.480 4.388 4.384 4.389 . 0 0 "[ . 1 . 2]" 2
324 1 3 LEU HA 1 3 LEU MD2 . . 2.760 2.449 2.250 2.628 . 0 0 "[ . 1 . 2]" 2
325 1 3 LEU HA 1 4 GLY H . . 2.610 2.156 2.148 2.160 . 0 0 "[ . 1 . 2]" 2
326 1 3 LEU HB3 1 4 GLY H . . 4.250 3.277 3.241 3.354 . 0 0 "[ . 1 . 2]" 2
327 1 3 LEU HB2 1 16 CYS HB2 . . 5.040 4.581 4.556 4.592 . 0 0 "[ . 1 . 2]" 2
328 1 3 LEU HB2 1 7 LYS HB2 . . 4.350 3.838 3.739 3.905 . 0 0 "[ . 1 . 2]" 2
329 1 3 LEU HB2 1 17 CYS H . . 4.380 3.844 3.808 3.870 . 0 0 "[ . 1 . 2]" 2
330 1 3 LEU HB3 1 3 LEU MD2 . . 3.390 2.153 2.037 2.266 . 0 0 "[ . 1 . 2]" 2
331 1 3 LEU MD2 1 7 LYS HB2 . . 4.090 3.944 3.780 4.086 . 0 0 "[ . 1 . 2]" 2
332 1 3 LEU HB2 1 3 LEU MD2 . . 3.570 3.144 3.123 3.162 . 0 0 "[ . 1 . 2]" 2
333 1 3 LEU MD2 1 7 LYS HB3 . . 3.890 3.337 3.241 3.531 . 0 0 "[ . 1 . 2]" 2
334 1 3 LEU HB2 1 3 LEU MD1 . . 3.260 2.121 2.043 2.212 . 0 0 "[ . 1 . 2]" 2
335 1 3 LEU MD1 1 15 GLN HB2 . . 3.720 2.488 2.318 2.667 . 0 0 "[ . 1 . 2]" 2
336 1 3 LEU MD1 1 7 LYS HB2 . . 4.820 4.227 4.054 4.371 . 0 0 "[ . 1 . 2]" 2
337 1 3 LEU HB3 1 3 LEU MD1 . . 3.600 2.556 2.501 2.593 . 0 0 "[ . 1 . 2]" 2
338 1 3 LEU MD1 1 9 CYS HA . . 4.200 3.693 3.491 3.861 . 0 0 "[ . 1 . 2]" 2
339 1 3 LEU HG 1 15 GLN HB3 . . 4.490 3.677 3.463 3.913 . 0 0 "[ . 1 . 2]" 2
340 1 4 GLY HA3 1 7 LYS HG3 . . 4.630 2.982 2.762 3.112 . 0 0 "[ . 1 . 2]" 2
341 1 4 GLY HA3 1 7 LYS HG2 . . 4.800 3.672 3.468 3.794 . 0 0 "[ . 1 . 2]" 2
342 1 4 GLY HA2 1 22 LEU MD1 . . 3.320 3.167 3.155 3.178 . 0 0 "[ . 1 . 2]" 2
343 1 5 ILE HA 1 31 CYS HB3 . . 3.570 3.183 3.166 3.201 . 0 0 "[ . 1 . 2]" 2
344 1 5 ILE HA 1 5 ILE HB . . 2.840 2.454 2.442 2.465 . 0 0 "[ . 1 . 2]" 2
345 1 5 ILE HA 1 22 LEU MD1 . . 3.190 3.008 2.948 3.080 . 0 0 "[ . 1 . 2]" 2
346 1 5 ILE HA 1 5 ILE HG12 . . 3.520 3.112 3.072 3.199 . 0 0 "[ . 1 . 2]" 2
347 1 5 ILE HA 1 22 LEU MD2 . . 3.480 2.062 2.002 2.113 . 0 0 "[ . 1 . 2]" 2
348 1 5 ILE HA 1 5 ILE MD . . 3.760 3.756 3.718 3.765 0.005 11 0 "[ . 1 . 2]" 2
349 1 5 ILE HA 1 5 ILE HG13 . . 3.520 2.428 2.400 2.438 . 0 0 "[ . 1 . 2]" 2
350 1 4 GLY HA2 1 5 ILE HA . . 4.460 4.330 4.317 4.337 . 0 0 "[ . 1 . 2]" 2
351 1 4 GLY HA3 1 5 ILE HA . . 4.730 4.533 4.517 4.566 . 0 0 "[ . 1 . 2]" 2
352 1 5 ILE HA 1 32 LYS HA . . 5.090 4.992 4.963 5.004 . 0 0 "[ . 1 . 2]" 2
353 1 5 ILE HA 1 6 PHE HA . . 4.540 4.422 4.419 4.425 . 0 0 "[ . 1 . 2]" 2
354 1 5 ILE HA 1 6 PHE QD . . 5.190 5.049 4.973 5.128 . 0 0 "[ . 1 . 2]" 2
355 1 5 ILE HA 1 7 LYS H . . 4.010 3.647 3.626 3.690 . 0 0 "[ . 1 . 2]" 2
356 1 5 ILE HA 1 6 PHE H . . 2.590 2.251 2.247 2.257 . 0 0 "[ . 1 . 2]" 2
357 1 5 ILE HB 1 22 LEU MD2 . . 3.400 2.016 1.980 2.091 . 0 0 "[ . 1 . 2]" 2
358 1 4 GLY HA3 1 5 ILE HB . . 5.130 5.045 5.013 5.095 . 0 0 "[ . 1 . 2]" 2
359 1 4 GLY HA2 1 5 ILE HB . . 4.790 4.660 4.649 4.681 . 0 0 "[ . 1 . 2]" 2
360 1 5 ILE HB 1 31 CYS HB3 . . 5.170 5.178 5.175 5.180 0.010 18 0 "[ . 1 . 2]" 2
361 1 5 ILE HB 1 6 PHE H . . 4.140 3.983 3.974 3.988 . 0 0 "[ . 1 . 2]" 2
362 1 5 ILE HB 1 22 LEU MD1 . . 3.670 2.654 2.591 2.691 . 0 0 "[ . 1 . 2]" 2
363 1 5 ILE MD 1 32 LYS HA . . 4.100 4.101 4.089 4.104 0.004 4 0 "[ . 1 . 2]" 2
364 1 5 ILE MD 1 33 TRP HB2 . . 3.930 1.895 1.883 1.919 . 0 0 "[ . 1 . 2]" 2
365 1 5 ILE MD 1 32 LYS QB . . 5.340 5.130 5.111 5.140 . 0 0 "[ . 1 . 2]" 2
366 1 5 ILE HB 1 5 ILE MD . . 3.310 2.410 2.392 2.429 . 0 0 "[ . 1 . 2]" 2
367 1 5 ILE MD 1 6 PHE QE . . 4.010 2.991 2.858 3.163 . 0 0 "[ . 1 . 2]" 2
368 1 5 ILE MD 1 6 PHE QD . . 5.010 3.198 2.969 3.351 . 0 0 "[ . 1 . 2]" 2
369 1 5 ILE HG13 1 6 PHE QE . . 5.430 4.703 4.464 4.893 . 0 0 "[ . 1 . 2]" 2
370 1 5 ILE HG12 1 6 PHE QE . . 5.430 3.653 3.525 3.816 . 0 0 "[ . 1 . 2]" 2
371 1 5 ILE MG 1 22 LEU MD2 . . 3.930 3.421 3.401 3.444 . 0 0 "[ . 1 . 2]" 2
372 1 5 ILE MD 1 5 ILE MG . . 3.060 2.056 1.938 2.168 . 0 0 "[ . 1 . 2]" 2
373 1 4 GLY HA2 1 5 ILE MG . . 4.540 4.344 4.244 4.416 . 0 0 "[ . 1 . 2]" 2
374 1 4 GLY HA3 1 5 ILE MG . . 4.690 3.921 3.876 3.984 . 0 0 "[ . 1 . 2]" 2
375 1 5 ILE MG 1 6 PHE QE . . 4.300 3.997 3.724 4.233 . 0 0 "[ . 1 . 2]" 2
376 1 5 ILE MG 1 6 PHE QD . . 3.730 2.662 2.509 2.805 . 0 0 "[ . 1 . 2]" 2
377 1 6 PHE HA 1 30 TRP HB2 . . 3.420 3.268 3.258 3.273 . 0 0 "[ . 1 . 2]" 2
378 1 6 PHE HA 1 31 CYS HB3 . . 5.500 5.516 5.511 5.522 0.022 20 0 "[ . 1 . 2]" 2
379 1 5 ILE HG12 1 6 PHE HA . . 4.550 3.772 3.738 3.864 . 0 0 "[ . 1 . 2]" 2
380 1 5 ILE HG13 1 6 PHE HA . . 4.550 4.417 4.279 4.484 . 0 0 "[ . 1 . 2]" 2
381 1 5 ILE MD 1 6 PHE HA . . 5.120 5.061 5.050 5.087 . 0 0 "[ . 1 . 2]" 2
382 1 6 PHE H 1 6 PHE HA . . 2.680 2.274 2.274 2.275 . 0 0 "[ . 1 . 2]" 2
383 1 6 PHE HA 1 6 PHE QE . . 4.630 4.271 4.231 4.309 . 0 0 "[ . 1 . 2]" 2
384 1 6 PHE HA 1 30 TRP HD1 . . 3.690 2.816 2.800 2.831 . 0 0 "[ . 1 . 2]" 2
385 1 6 PHE HA 1 6 PHE QD . . 3.080 2.124 2.041 2.288 . 0 0 "[ . 1 . 2]" 2
386 1 6 PHE HA 1 30 TRP HA . . 5.250 5.202 5.193 5.209 . 0 0 "[ . 1 . 2]" 2
387 1 5 ILE MG 1 6 PHE HA . . 4.950 4.826 4.728 4.890 . 0 0 "[ . 1 . 2]" 2
388 1 2 CYS HB2 1 3 LEU HA . . 4.700 4.643 4.601 4.658 . 0 0 "[ . 1 . 2]" 2
389 1 7 LYS HA 1 7 LYS HG2 . . 3.440 2.782 2.683 2.962 . 0 0 "[ . 1 . 2]" 2
390 1 7 LYS HA 1 8 ALA H . . 2.530 2.150 2.149 2.153 . 0 0 "[ . 1 . 2]" 2
391 1 3 LEU HB3 1 7 LYS HB3 . . 3.810 3.056 2.934 3.210 . 0 0 "[ . 1 . 2]" 2
392 1 3 LEU MD1 1 7 LYS HB3 . . 4.720 4.363 4.211 4.541 . 0 0 "[ . 1 . 2]" 2
393 1 7 LYS HB3 1 7 LYS HE3 . . 5.240 3.910 2.418 4.608 . 0 0 "[ . 1 . 2]" 2
394 1 3 LEU HB3 1 7 LYS HB2 . . 3.570 2.719 2.583 2.813 . 0 0 "[ . 1 . 2]" 2
395 1 7 LYS HB2 1 7 LYS HE3 . . 5.500 4.836 3.841 5.451 . 0 0 "[ . 1 . 2]" 2
396 1 7 LYS HB2 1 9 CYS HB3 . . 5.500 5.047 4.850 5.190 . 0 0 "[ . 1 . 2]" 2
397 1 7 LYS HB2 1 31 CYS HB2 . . 4.680 3.399 3.346 3.482 . 0 0 "[ . 1 . 2]" 2
398 1 7 LYS HB2 1 31 CYS HB3 . . 4.870 4.810 4.764 4.862 . 0 0 "[ . 1 . 2]" 2
399 1 21 LYS QE 1 23 VAL MG1 . . 5.080 4.846 4.815 4.869 . 0 0 "[ . 1 . 2]" 2
400 1 3 LEU MD2 1 7 LYS HG3 . . 4.590 4.288 4.246 4.338 . 0 0 "[ . 1 . 2]" 2
401 1 3 LEU HA 1 7 LYS HG3 . . 4.560 4.052 3.988 4.115 . 0 0 "[ . 1 . 2]" 2
402 1 7 LYS H 1 7 LYS HG3 . . 4.380 4.178 3.970 4.284 . 0 0 "[ . 1 . 2]" 2
403 1 7 LYS HA 1 8 ALA MB . . 4.270 3.990 3.930 4.016 . 0 0 "[ . 1 . 2]" 2
404 1 3 LEU HB2 1 9 CYS HB3 . . 5.240 4.369 4.253 4.442 . 0 0 "[ . 1 . 2]" 2
405 1 7 LYS HB3 1 9 CYS HB3 . . 5.500 4.768 4.650 4.946 . 0 0 "[ . 1 . 2]" 2
406 1 3 LEU MD1 1 9 CYS HB3 . . 3.540 2.025 1.906 2.151 . 0 0 "[ . 1 . 2]" 2
407 1 9 CYS HB3 1 14 ASP HA . . 5.200 5.118 5.027 5.189 . 0 0 "[ . 1 . 2]" 2
408 1 9 CYS HB3 1 10 ASN H . . 3.630 3.409 3.400 3.422 . 0 0 "[ . 1 . 2]" 2
409 1 9 CYS HB3 1 31 CYS H . . 5.120 4.874 4.806 4.918 . 0 0 "[ . 1 . 2]" 2
410 1 9 CYS HB3 1 15 GLN H . . 4.830 4.769 4.735 4.811 . 0 0 "[ . 1 . 2]" 2
411 1 3 LEU MD1 1 9 CYS HB2 . . 3.490 2.610 2.524 2.655 . 0 0 "[ . 1 . 2]" 2
412 1 10 ASN HA 1 11 PRO HD3 . . 2.570 2.253 2.252 2.255 . 0 0 "[ . 1 . 2]" 2
413 1 10 ASN HA 1 29 ARG HD2 . . 5.500 5.312 5.134 5.509 0.009 16 0 "[ . 1 . 2]" 2
414 1 10 ASN HA 1 29 ARG HD3 . . 5.500 5.498 5.475 5.508 0.008 11 0 "[ . 1 . 2]" 2
415 1 10 ASN HA 1 11 PRO HG3 . . 4.360 4.370 4.361 4.379 0.019 11 0 "[ . 1 . 2]" 2
416 1 10 ASN HA 1 29 ARG HG2 . . 4.610 3.852 3.764 3.921 . 0 0 "[ . 1 . 2]" 2
417 1 10 ASN HA 1 29 ARG HB3 . . 4.780 4.415 4.354 4.472 . 0 0 "[ . 1 . 2]" 2
418 1 10 ASN HA 1 11 PRO HG2 . . 4.430 4.355 4.339 4.373 . 0 0 "[ . 1 . 2]" 2
419 1 10 ASN HA 1 10 ASN HD21 . . 4.740 4.536 4.379 4.590 . 0 0 "[ . 1 . 2]" 2
420 1 10 ASN H 1 10 ASN HB2 . . 3.800 3.747 3.615 3.794 . 0 0 "[ . 1 . 2]" 2
421 1 11 PRO HA 1 26 ARG HG2 . . 5.290 4.478 4.183 4.792 . 0 0 "[ . 1 . 2]" 2
422 1 11 PRO HA 1 24 CYS HB2 . . 4.170 4.134 4.088 4.175 0.005 17 0 "[ . 1 . 2]" 2
423 1 11 PRO HA 1 14 ASP HB2 . . 4.210 2.611 2.546 2.705 . 0 0 "[ . 1 . 2]" 2
424 1 11 PRO HA 1 24 CYS HB3 . . 2.810 2.520 2.468 2.569 . 0 0 "[ . 1 . 2]" 2
425 1 11 PRO HA 1 24 CYS H . . 4.790 4.806 4.799 4.814 0.024 20 0 "[ . 1 . 2]" 2
426 1 11 PRO HA 1 13 ASN H . . 4.200 4.032 4.007 4.045 . 0 0 "[ . 1 . 2]" 2
427 1 10 ASN HA 1 11 PRO HA . . 4.620 4.407 4.404 4.410 . 0 0 "[ . 1 . 2]" 2
428 1 11 PRO HB2 1 26 ARG QD . . 4.910 3.396 2.645 4.102 . 0 0 "[ . 1 . 2]" 2
429 1 11 PRO HB2 1 24 CYS HB3 . . 5.050 4.977 4.933 5.019 . 0 0 "[ . 1 . 2]" 2
430 1 11 PRO HB3 1 24 CYS HB3 . . 4.560 3.814 3.785 3.839 . 0 0 "[ . 1 . 2]" 2
431 1 11 PRO HB3 1 26 ARG QD . . 4.550 4.016 3.576 4.460 . 0 0 "[ . 1 . 2]" 2
432 1 11 PRO HD3 1 29 ARG HG3 . . 4.920 4.429 4.371 4.517 . 0 0 "[ . 1 . 2]" 2
433 1 11 PRO HD3 1 29 ARG HB3 . . 5.090 4.496 4.450 4.565 . 0 0 "[ . 1 . 2]" 2
434 1 11 PRO HD3 1 29 ARG HG2 . . 3.940 2.912 2.836 2.983 . 0 0 "[ . 1 . 2]" 2
435 1 11 PRO HD3 1 12 SER H . . 4.580 3.839 3.837 3.843 . 0 0 "[ . 1 . 2]" 2
436 1 11 PRO HD2 1 29 ARG HG3 . . 5.500 5.511 5.507 5.516 0.016 20 0 "[ . 1 . 2]" 2
437 1 11 PRO HD2 1 29 ARG HB3 . . 5.500 5.533 5.514 5.556 0.056 16 0 "[ . 1 . 2]" 2
438 1 10 ASN HA 1 11 PRO HD2 . . 3.010 2.205 2.185 2.226 . 0 0 "[ . 1 . 2]" 2
439 1 11 PRO HG3 1 29 ARG HG2 . . 4.610 3.991 3.961 4.014 . 0 0 "[ . 1 . 2]" 2
440 1 11 PRO HG3 1 26 ARG QD . . 4.770 4.045 3.472 4.555 . 0 0 "[ . 1 . 2]" 2
441 1 11 PRO HG2 1 29 ARG HG2 . . 5.170 5.188 5.160 5.207 0.037 1 0 "[ . 1 . 2]" 2
442 1 11 PRO HG2 1 26 ARG QD . . 5.100 4.372 3.567 5.071 . 0 0 "[ . 1 . 2]" 2
443 1 11 PRO HB2 1 12 SER HA . . 4.690 4.085 4.078 4.101 . 0 0 "[ . 1 . 2]" 2
444 1 12 SER H 1 12 SER HB2 . . 3.890 2.737 2.248 3.553 . 0 0 "[ . 1 . 2]" 2
445 1 13 ASN HA 1 14 ASP HB3 . . 4.830 4.714 4.683 4.735 . 0 0 "[ . 1 . 2]" 2
446 1 10 ASN HD22 1 13 ASN HB2 . . 5.210 2.293 2.065 2.787 . 0 0 "[ . 1 . 2]" 2
447 1 10 ASN HD21 1 13 ASN HB2 . . 4.330 3.331 2.556 3.585 . 0 0 "[ . 1 . 2]" 2
448 1 10 ASN HD22 1 13 ASN HB3 . . 5.500 2.091 1.945 2.257 . 0 0 "[ . 1 . 2]" 2
449 1 14 ASP HA 1 15 GLN HB2 . . 4.420 4.320 4.253 4.366 . 0 0 "[ . 1 . 2]" 2
450 1 14 ASP HA 1 24 CYS HB2 . . 3.850 3.071 3.013 3.151 . 0 0 "[ . 1 . 2]" 2
451 1 13 ASN HB3 1 14 ASP HA . . 5.190 4.736 4.706 4.775 . 0 0 "[ . 1 . 2]" 2
452 1 3 LEU MD1 1 14 ASP HA . . 4.750 3.749 3.651 3.825 . 0 0 "[ . 1 . 2]" 2
453 1 13 ASN HA 1 14 ASP HA . . 5.500 4.754 4.741 4.764 . 0 0 "[ . 1 . 2]" 2
454 1 14 ASP HA 1 15 GLN HA . . 5.500 4.417 4.407 4.436 . 0 0 "[ . 1 . 2]" 2
455 1 14 ASP HA 1 16 CYS H . . 3.940 3.899 3.866 3.953 0.013 20 0 "[ . 1 . 2]" 2
456 1 14 ASP HA 1 15 GLN H . . 2.710 2.168 2.155 2.196 . 0 0 "[ . 1 . 2]" 2
457 1 11 PRO HA 1 14 ASP HB3 . . 4.210 3.832 3.728 3.936 . 0 0 "[ . 1 . 2]" 2
458 1 14 ASP HB3 1 24 CYS HB2 . . 4.670 4.521 4.436 4.571 . 0 0 "[ . 1 . 2]" 2
459 1 14 ASP HB3 1 24 CYS H . . 5.090 4.261 4.170 4.319 . 0 0 "[ . 1 . 2]" 2
460 1 15 GLN HA 1 15 GLN HG3 . . 3.850 3.124 2.537 3.692 . 0 0 "[ . 1 . 2]" 2
461 1 3 LEU MD1 1 15 GLN HB3 . . 4.120 3.523 3.405 3.723 . 0 0 "[ . 1 . 2]" 2
462 1 3 LEU MD2 1 15 GLN HB3 . . 5.310 4.761 4.547 4.994 . 0 0 "[ . 1 . 2]" 2
463 1 3 LEU MD1 1 15 GLN HG3 . . 5.310 4.439 4.257 4.664 . 0 0 "[ . 1 . 2]" 2
464 1 3 LEU MD1 1 15 GLN HG2 . . 5.310 4.845 4.341 5.164 . 0 0 "[ . 1 . 2]" 2
465 1 15 GLN HA 1 15 GLN HG2 . . 3.850 2.558 2.229 2.886 . 0 0 "[ . 1 . 2]" 2
466 1 3 LEU HB2 1 16 CYS HA . . 3.180 1.999 1.997 2.011 . 0 0 "[ . 1 . 2]" 2
467 1 3 LEU HB3 1 16 CYS HA . . 3.940 3.716 3.706 3.726 . 0 0 "[ . 1 . 2]" 2
468 1 3 LEU MD1 1 16 CYS HA . . 4.700 3.053 2.939 3.156 . 0 0 "[ . 1 . 2]" 2
469 1 16 CYS HA 1 22 LEU MD1 . . 4.790 4.559 4.480 4.631 . 0 0 "[ . 1 . 2]" 2
470 1 3 LEU HG 1 16 CYS HA . . 4.590 3.449 3.369 3.560 . 0 0 "[ . 1 . 2]" 2
471 1 2 CYS HB2 1 16 CYS HA . . 4.870 3.340 3.302 3.359 . 0 0 "[ . 1 . 2]" 2
472 1 3 LEU HB3 1 16 CYS HB3 . . 5.500 5.137 5.061 5.172 . 0 0 "[ . 1 . 2]" 2
473 1 16 CYS HB3 1 22 LEU HG . . 5.500 4.909 4.881 4.933 . 0 0 "[ . 1 . 2]" 2
474 1 16 CYS HB3 1 22 LEU HB2 . . 3.320 2.330 2.290 2.354 . 0 0 "[ . 1 . 2]" 2
475 1 16 CYS HB3 1 22 LEU HB3 . . 3.310 2.666 2.649 2.699 . 0 0 "[ . 1 . 2]" 2
476 1 3 LEU MD1 1 16 CYS HB3 . . 5.230 4.513 4.437 4.597 . 0 0 "[ . 1 . 2]" 2
477 1 16 CYS HB3 1 31 CYS HB2 . . 4.590 4.001 3.983 4.017 . 0 0 "[ . 1 . 2]" 2
478 1 16 CYS HB3 1 23 VAL HA . . 4.210 3.954 3.889 3.999 . 0 0 "[ . 1 . 2]" 2
479 1 16 CYS HB3 1 17 CYS HA . . 5.370 4.726 4.704 4.765 . 0 0 "[ . 1 . 2]" 2
480 1 3 LEU H 1 16 CYS HB3 . . 5.300 4.396 4.293 4.457 . 0 0 "[ . 1 . 2]" 2
481 1 16 CYS HB3 1 24 CYS H . . 5.160 4.836 4.804 4.918 . 0 0 "[ . 1 . 2]" 2
482 1 16 CYS HB2 1 22 LEU HB2 . . 3.760 3.172 3.097 3.205 . 0 0 "[ . 1 . 2]" 2
483 1 16 CYS HB2 1 22 LEU HB3 . . 3.660 3.670 3.665 3.678 0.018 20 0 "[ . 1 . 2]" 2
484 1 2 CYS HB2 1 17 CYS HA . . 2.960 2.121 2.076 2.178 . 0 0 "[ . 1 . 2]" 2
485 1 17 CYS HA 1 18 LYS QB . . 4.850 4.363 4.282 4.425 . 0 0 "[ . 1 . 2]" 2
486 1 17 CYS HA 1 18 LYS HG2 . . 4.490 4.244 4.059 4.494 0.004 4 0 "[ . 1 . 2]" 2
487 1 17 CYS HA 1 22 LEU MD1 . . 5.020 4.151 4.100 4.186 . 0 0 "[ . 1 . 2]" 2
488 1 17 CYS HB2 1 18 LYS H . . 4.560 4.514 4.510 4.520 . 0 0 "[ . 1 . 2]" 2
489 1 18 LYS HA 1 18 LYS QB . . 2.710 2.386 2.352 2.428 . 0 0 "[ . 1 . 2]" 2
490 1 18 LYS HA 1 18 LYS QD . . 3.090 2.167 1.989 2.420 . 0 0 "[ . 1 . 2]" 2
491 1 18 LYS HA 1 18 LYS HG3 . . 3.890 3.764 3.717 3.809 . 0 0 "[ . 1 . 2]" 2
492 1 18 LYS HA 1 18 LYS QE . . 4.770 3.800 3.427 4.243 . 0 0 "[ . 1 . 2]" 2
493 1 18 LYS HA 1 20 SER H . . 4.250 3.982 3.971 3.989 . 0 0 "[ . 1 . 2]" 2
494 1 18 LYS HA 1 22 LEU H . . 3.360 2.508 2.497 2.519 . 0 0 "[ . 1 . 2]" 2
495 1 18 LYS H 1 18 LYS HG3 . . 4.100 3.445 3.228 3.617 . 0 0 "[ . 1 . 2]" 2
496 1 19 SER HA 1 21 LYS H . . 4.020 3.701 3.690 3.714 . 0 0 "[ . 1 . 2]" 2
497 1 18 LYS QB 1 19 SER HA . . 4.120 3.895 3.885 3.904 . 0 0 "[ . 1 . 2]" 2
498 1 21 LYS HA 1 21 LYS HG3 . . 3.660 3.542 3.538 3.548 . 0 0 "[ . 1 . 2]" 2
499 1 21 LYS HA 1 21 LYS HB2 . . 2.860 2.655 2.653 2.660 . 0 0 "[ . 1 . 2]" 2
500 1 21 LYS HA 1 21 LYS QD . . 3.660 3.498 3.475 3.508 . 0 0 "[ . 1 . 2]" 2
501 1 21 LYS HA 1 21 LYS HG2 . . 3.080 2.238 2.234 2.246 . 0 0 "[ . 1 . 2]" 2
502 1 21 LYS HA 1 23 VAL MG2 . . 4.860 4.270 4.224 4.299 . 0 0 "[ . 1 . 2]" 2
503 1 21 LYS HA 1 22 LEU MD2 . . 5.500 5.519 5.513 5.524 0.024 20 0 "[ . 1 . 2]" 2
504 1 18 LYS HA 1 21 LYS HA . . 3.590 3.467 3.436 3.490 . 0 0 "[ . 1 . 2]" 2
505 1 21 LYS H 1 21 LYS HA . . 2.650 2.281 2.280 2.282 . 0 0 "[ . 1 . 2]" 2
506 1 21 LYS HA 1 22 LEU H . . 3.190 2.554 2.553 2.556 . 0 0 "[ . 1 . 2]" 2
507 1 21 LYS HB2 1 34 GLN H . . 5.310 5.299 5.251 5.315 0.005 6 0 "[ . 1 . 2]" 2
508 1 21 LYS HB2 1 33 TRP HD1 . . 4.770 4.477 4.454 4.504 . 0 0 "[ . 1 . 2]" 2
509 1 21 LYS QD 1 23 VAL MG2 . . 5.010 4.266 4.226 4.305 . 0 0 "[ . 1 . 2]" 2
510 1 21 LYS H 1 21 LYS HG3 . . 4.980 4.885 4.881 4.889 . 0 0 "[ . 1 . 2]" 2
511 1 21 LYS HB3 1 22 LEU HA . . 4.700 4.554 4.547 4.557 . 0 0 "[ . 1 . 2]" 2
512 1 21 LYS QE 1 22 LEU HA . . 4.910 3.161 3.069 3.222 . 0 0 "[ . 1 . 2]" 2
513 1 16 CYS HB3 1 22 LEU HA . . 4.800 4.579 4.565 4.596 . 0 0 "[ . 1 . 2]" 2
514 1 22 LEU HA 1 22 LEU HG . . 3.660 2.814 2.809 2.825 . 0 0 "[ . 1 . 2]" 2
515 1 22 LEU HA 1 22 LEU HB3 . . 2.990 2.435 2.426 2.440 . 0 0 "[ . 1 . 2]" 2
516 1 22 LEU HA 1 22 LEU MD2 . . 2.890 2.572 2.533 2.589 . 0 0 "[ . 1 . 2]" 2
517 1 21 LYS HA 1 22 LEU HA . . 5.250 4.414 4.411 4.417 . 0 0 "[ . 1 . 2]" 2
518 1 22 LEU HA 1 34 GLN HB2 . . 4.510 4.464 4.401 4.516 0.006 10 0 "[ . 1 . 2]" 2
519 1 22 LEU HA 1 33 TRP HA . . 3.550 3.284 3.259 3.317 . 0 0 "[ . 1 . 2]" 2
520 1 22 LEU HA 1 33 TRP H . . 5.300 5.253 5.233 5.291 . 0 0 "[ . 1 . 2]" 2
521 1 22 LEU HA 1 33 TRP HD1 . . 4.990 4.563 4.514 4.604 . 0 0 "[ . 1 . 2]" 2
522 1 22 LEU HB3 1 23 VAL HA . . 5.250 4.425 4.406 4.452 . 0 0 "[ . 1 . 2]" 2
523 1 5 ILE HA 1 22 LEU HB3 . . 4.630 3.720 3.671 3.741 . 0 0 "[ . 1 . 2]" 2
524 1 22 LEU HB3 1 31 CYS HA . . 4.990 3.742 3.733 3.753 . 0 0 "[ . 1 . 2]" 2
525 1 5 ILE HA 1 22 LEU HB2 . . 5.200 4.768 4.706 4.803 . 0 0 "[ . 1 . 2]" 2
526 1 18 LYS HA 1 22 LEU HB2 . . 5.140 4.165 4.139 4.196 . 0 0 "[ . 1 . 2]" 2
527 1 22 LEU HB2 1 23 VAL HA . . 5.500 4.602 4.567 4.621 . 0 0 "[ . 1 . 2]" 2
528 1 22 LEU HB2 1 23 VAL H . . 4.520 3.980 3.934 4.012 . 0 0 "[ . 1 . 2]" 2
529 1 20 SER HB3 1 22 LEU MD2 . . 4.460 3.313 3.145 3.391 . 0 0 "[ . 1 . 2]" 2
530 1 16 CYS HB2 1 22 LEU MD2 . . 5.490 5.218 5.205 5.227 . 0 0 "[ . 1 . 2]" 2
531 1 22 LEU MD2 1 31 CYS HB3 . . 4.040 2.752 2.716 2.836 . 0 0 "[ . 1 . 2]" 2
532 1 22 LEU MD2 1 32 LYS QB . . 5.000 4.753 4.686 4.799 . 0 0 "[ . 1 . 2]" 2
533 1 22 LEU MD2 1 32 LYS HA . . 3.950 3.724 3.688 3.765 . 0 0 "[ . 1 . 2]" 2
534 1 20 SER HB2 1 22 LEU MD2 . . 4.460 4.206 4.132 4.394 . 0 0 "[ . 1 . 2]" 2
535 1 22 LEU MD2 1 33 TRP HB2 . . 3.950 3.065 3.042 3.096 . 0 0 "[ . 1 . 2]" 2
536 1 22 LEU HB3 1 22 LEU MD2 . . 3.030 2.134 2.113 2.176 . 0 0 "[ . 1 . 2]" 2
537 1 22 LEU MD2 1 33 TRP HE3 . . 4.390 4.273 4.210 4.324 . 0 0 "[ . 1 . 2]" 2
538 1 22 LEU MD2 1 33 TRP HA . . 3.390 2.329 2.278 2.382 . 0 0 "[ . 1 . 2]" 2
539 1 20 SER HB3 1 22 LEU MD1 . . 3.750 2.191 2.037 2.244 . 0 0 "[ . 1 . 2]" 2
540 1 22 LEU MD1 1 31 CYS HB3 . . 3.880 3.463 3.458 3.471 . 0 0 "[ . 1 . 2]" 2
541 1 22 LEU HB2 1 22 LEU MD1 . . 3.510 2.173 2.160 2.177 . 0 0 "[ . 1 . 2]" 2
542 1 6 PHE H 1 22 LEU MD1 . . 5.230 4.836 4.793 4.893 . 0 0 "[ . 1 . 2]" 2
543 1 22 LEU MD1 1 31 CYS HA . . 5.500 5.517 5.510 5.526 0.026 19 0 "[ . 1 . 2]" 2
544 1 17 CYS HB2 1 22 LEU HG . . 5.060 4.335 4.294 4.364 . 0 0 "[ . 1 . 2]" 2
545 1 20 SER HB2 1 22 LEU HG . . 3.960 3.427 3.335 3.671 . 0 0 "[ . 1 . 2]" 2
546 1 20 SER HB3 1 22 LEU HG . . 3.960 2.662 2.465 2.739 . 0 0 "[ . 1 . 2]" 2
547 1 23 VAL HA 1 24 CYS HB2 . . 4.470 4.246 4.242 4.250 . 0 0 "[ . 1 . 2]" 2
548 1 16 CYS HB2 1 23 VAL HA . . 3.350 2.682 2.610 2.747 . 0 0 "[ . 1 . 2]" 2
549 1 23 VAL HA 1 23 VAL MG1 . . 3.000 2.294 2.246 2.312 . 0 0 "[ . 1 . 2]" 2
550 1 16 CYS H 1 23 VAL HA . . 4.800 4.126 4.049 4.219 . 0 0 "[ . 1 . 2]" 2
551 1 23 VAL HA 1 24 CYS H . . 2.660 2.189 2.181 2.204 . 0 0 "[ . 1 . 2]" 2
552 1 22 LEU HA 1 23 VAL HB . . 4.910 4.540 4.512 4.600 . 0 0 "[ . 1 . 2]" 2
553 1 23 VAL HB 1 24 CYS H . . 4.070 4.038 3.975 4.067 . 0 0 "[ . 1 . 2]" 2
554 1 23 VAL MG2 1 24 CYS H . . 4.360 3.945 3.910 3.996 . 0 0 "[ . 1 . 2]" 2
555 1 23 VAL MG2 1 31 CYS HA . . 5.500 5.431 5.393 5.464 . 0 0 "[ . 1 . 2]" 2
556 1 23 VAL MG1 1 32 LYS QE . . 4.580 4.585 4.558 4.590 0.010 8 0 "[ . 1 . 2]" 2
557 1 23 VAL MG1 1 32 LYS QD . . 4.690 4.678 4.515 4.698 0.008 5 0 "[ . 1 . 2]" 2
558 1 23 VAL H 1 23 VAL MG1 . . 4.060 3.933 3.915 3.960 . 0 0 "[ . 1 . 2]" 2
559 1 24 CYS HA 1 25 SER HB2 . . 4.490 4.313 4.288 4.330 . 0 0 "[ . 1 . 2]" 2
560 1 24 CYS HA 1 25 SER HB3 . . 5.270 4.994 4.974 5.015 . 0 0 "[ . 1 . 2]" 2
561 1 23 VAL HB 1 24 CYS HA . . 5.450 5.140 5.085 5.173 . 0 0 "[ . 1 . 2]" 2
562 1 23 VAL MG1 1 24 CYS HA . . 4.700 4.053 4.008 4.111 . 0 0 "[ . 1 . 2]" 2
563 1 23 VAL HA 1 24 CYS HA . . 4.730 4.345 4.341 4.346 . 0 0 "[ . 1 . 2]" 2
564 1 24 CYS HA 1 25 SER HA . . 5.110 4.405 4.394 4.413 . 0 0 "[ . 1 . 2]" 2
565 1 24 CYS HA 1 32 LYS H . . 4.030 3.681 3.646 3.725 . 0 0 "[ . 1 . 2]" 2
566 1 24 CYS HA 1 31 CYS HA . . 3.140 2.518 2.501 2.547 . 0 0 "[ . 1 . 2]" 2
567 1 11 PRO HG3 1 24 CYS HB3 . . 5.500 5.595 5.586 5.600 0.100 3 0 "[ . 1 . 2]" 2
568 1 14 ASP HA 1 24 CYS HB3 . . 4.950 3.336 3.298 3.406 . 0 0 "[ . 1 . 2]" 2
569 1 16 CYS HB2 1 24 CYS HB2 . . 4.970 4.672 4.639 4.725 . 0 0 "[ . 1 . 2]" 2
570 1 3 LEU HB2 1 24 CYS HB2 . . 5.500 5.502 5.496 5.506 0.006 5 0 "[ . 1 . 2]" 2
571 1 24 CYS HB2 1 31 CYS HA . . 5.010 4.161 4.113 4.235 . 0 0 "[ . 1 . 2]" 2
572 1 25 SER HA 1 25 SER HB2 . . 3.000 2.658 2.649 2.667 . 0 0 "[ . 1 . 2]" 2
573 1 25 SER HA 1 32 LYS QE . . 4.920 4.563 4.113 4.812 . 0 0 "[ . 1 . 2]" 2
574 1 25 SER HA 1 26 ARG HG3 . . 3.920 3.775 3.498 3.918 . 0 0 "[ . 1 . 2]" 2
575 1 25 SER HA 1 26 ARG HB2 . . 5.210 4.804 4.626 4.957 . 0 0 "[ . 1 . 2]" 2
576 1 25 SER HA 1 26 ARG H . . 2.730 2.276 2.271 2.278 . 0 0 "[ . 1 . 2]" 2
577 1 25 SER HA 1 28 THR H . . 5.160 4.468 4.465 4.471 . 0 0 "[ . 1 . 2]" 2
578 1 25 SER HB2 1 32 LYS QD . . 3.720 1.968 1.938 1.979 . 0 0 "[ . 1 . 2]" 2
579 1 25 SER HB2 1 32 LYS QB . . 4.240 3.570 3.524 3.616 . 0 0 "[ . 1 . 2]" 2
580 1 25 SER HB3 1 32 LYS QD . . 4.470 3.481 3.423 3.502 . 0 0 "[ . 1 . 2]" 2
581 1 26 ARG HA 1 29 ARG HG3 . . 4.340 4.203 4.080 4.348 0.008 12 0 "[ . 1 . 2]" 2
582 1 26 ARG HA 1 26 ARG HG2 . . 3.370 2.712 2.586 2.844 . 0 0 "[ . 1 . 2]" 2
583 1 11 PRO HB3 1 26 ARG HA . . 3.040 2.648 2.592 2.736 . 0 0 "[ . 1 . 2]" 2
584 1 11 PRO HG3 1 26 ARG HA . . 2.880 1.995 1.991 1.998 . 0 0 "[ . 1 . 2]" 2
585 1 26 ARG HA 1 29 ARG HG2 . . 4.410 3.834 3.683 3.938 . 0 0 "[ . 1 . 2]" 2
586 1 26 ARG HA 1 27 LYS HA . . 4.750 4.648 4.647 4.649 . 0 0 "[ . 1 . 2]" 2
587 1 26 ARG HA 1 29 ARG H . . 4.600 3.834 3.826 3.844 . 0 0 "[ . 1 . 2]" 2
588 1 26 ARG H 1 26 ARG HB3 . . 4.200 3.604 3.589 3.612 . 0 0 "[ . 1 . 2]" 2
589 1 26 ARG HB2 1 26 ARG QD . . 3.800 2.567 2.086 3.155 . 0 0 "[ . 1 . 2]" 2
590 1 26 ARG H 1 26 ARG HB2 . . 4.030 2.545 2.383 2.688 . 0 0 "[ . 1 . 2]" 2
591 1 26 ARG HB3 1 26 ARG QD . . 3.560 2.484 2.054 2.979 . 0 0 "[ . 1 . 2]" 2
592 1 26 ARG HA 1 26 ARG QD . . 4.200 3.999 3.722 4.194 . 0 0 "[ . 1 . 2]" 2
593 1 26 ARG HA 1 26 ARG HG3 . . 4.130 3.106 2.696 3.561 . 0 0 "[ . 1 . 2]" 2
594 1 11 PRO HB3 1 26 ARG HG2 . . 4.420 2.456 2.130 2.787 . 0 0 "[ . 1 . 2]" 2
595 1 27 LYS HA 1 27 LYS HB2 . . 2.750 2.566 2.464 2.641 . 0 0 "[ . 1 . 2]" 2
596 1 27 LYS HA 1 27 LYS HG2 . . 3.830 3.369 2.511 3.797 . 0 0 "[ . 1 . 2]" 2
597 1 27 LYS HA 1 27 LYS HG3 . . 3.830 2.634 2.273 2.997 . 0 0 "[ . 1 . 2]" 2
598 1 26 ARG HB2 1 27 LYS HA . . 4.710 4.378 4.249 4.546 . 0 0 "[ . 1 . 2]" 2
599 1 27 LYS HB2 1 28 THR MG . . 4.420 4.179 4.055 4.331 . 0 0 "[ . 1 . 2]" 2
600 1 27 LYS HB2 1 28 THR H . . 4.180 3.739 3.614 3.899 . 0 0 "[ . 1 . 2]" 2
601 1 28 THR HA 1 28 THR HB . . 2.740 2.313 2.310 2.315 . 0 0 "[ . 1 . 2]" 2
602 1 27 LYS HB3 1 28 THR HA . . 4.440 4.187 4.074 4.361 . 0 0 "[ . 1 . 2]" 2
603 1 28 THR HA 1 28 THR MG . . 2.730 2.585 2.583 2.588 . 0 0 "[ . 1 . 2]" 2
604 1 28 THR HA 1 30 TRP H . . 4.820 4.543 4.523 4.553 . 0 0 "[ . 1 . 2]" 2
605 1 27 LYS HB3 1 28 THR HB . . 5.470 5.296 5.228 5.422 . 0 0 "[ . 1 . 2]" 2
606 1 28 THR HB 1 30 TRP HE3 . . 4.440 3.302 3.295 3.306 . 0 0 "[ . 1 . 2]" 2
607 1 28 THR HB 1 30 TRP HZ2 . . 4.740 3.283 3.281 3.285 . 0 0 "[ . 1 . 2]" 2
608 1 28 THR HB 1 30 TRP HD1 . . 5.000 4.820 4.812 4.826 . 0 0 "[ . 1 . 2]" 2
609 1 28 THR HB 1 29 ARG H . . 4.810 4.104 4.101 4.108 . 0 0 "[ . 1 . 2]" 2
610 1 27 LYS HB3 1 28 THR MG . . 3.480 2.818 2.803 2.861 . 0 0 "[ . 1 . 2]" 2
611 1 29 ARG HA 1 29 ARG HD2 . . 5.470 4.481 4.312 4.724 . 0 0 "[ . 1 . 2]" 2
612 1 29 ARG HA 1 29 ARG HD3 . . 5.470 4.570 4.414 4.676 . 0 0 "[ . 1 . 2]" 2
613 1 29 ARG HA 1 29 ARG HB3 . . 2.960 2.578 2.566 2.594 . 0 0 "[ . 1 . 2]" 2
614 1 11 PRO HG3 1 29 ARG HA . . 4.640 4.593 4.540 4.650 0.010 11 0 "[ . 1 . 2]" 2
615 1 29 ARG HA 1 29 ARG HG3 . . 3.430 3.018 2.932 3.143 . 0 0 "[ . 1 . 2]" 2
616 1 29 ARG HA 1 29 ARG HG2 . . 3.120 2.386 2.275 2.463 . 0 0 "[ . 1 . 2]" 2
617 1 8 ALA HA 1 29 ARG HA . . 5.500 5.557 5.550 5.565 0.065 20 0 "[ . 1 . 2]" 2
618 1 28 THR H 1 29 ARG HA . . 4.740 4.595 4.592 4.597 . 0 0 "[ . 1 . 2]" 2
619 1 9 CYS H 1 29 ARG HA . . 4.500 4.349 4.325 4.369 . 0 0 "[ . 1 . 2]" 2
620 1 29 ARG HB2 1 29 ARG HD2 . . 4.030 3.172 2.843 3.631 . 0 0 "[ . 1 . 2]" 2
621 1 29 ARG HB2 1 29 ARG HD3 . . 4.030 3.287 2.585 3.755 . 0 0 "[ . 1 . 2]" 2
622 1 11 PRO HD2 1 29 ARG HG2 . . 3.990 3.896 3.855 3.927 . 0 0 "[ . 1 . 2]" 2
623 1 28 THR HA 1 29 ARG HG3 . . 4.780 4.670 4.618 4.744 . 0 0 "[ . 1 . 2]" 2
624 1 29 ARG HA 1 30 TRP HA . . 4.580 4.367 4.365 4.369 . 0 0 "[ . 1 . 2]" 2
625 1 9 CYS HB3 1 30 TRP HA . . 4.830 4.581 4.545 4.621 . 0 0 "[ . 1 . 2]" 2
626 1 30 TRP HA 1 30 TRP HB3 . . 2.790 2.564 2.563 2.565 . 0 0 "[ . 1 . 2]" 2
627 1 30 TRP HA 1 30 TRP HB2 . . 2.820 2.357 2.356 2.358 . 0 0 "[ . 1 . 2]" 2
628 1 8 ALA MB 1 30 TRP HA . . 4.630 4.392 4.383 4.399 . 0 0 "[ . 1 . 2]" 2
629 1 8 ALA HA 1 30 TRP HA . . 2.880 2.803 2.796 2.809 . 0 0 "[ . 1 . 2]" 2
630 1 9 CYS H 1 30 TRP HA . . 3.270 3.182 3.157 3.200 . 0 0 "[ . 1 . 2]" 2
631 1 30 TRP HA 1 30 TRP HE3 . . 4.920 4.842 4.840 4.844 . 0 0 "[ . 1 . 2]" 2
632 1 30 TRP HA 1 31 CYS H . . 2.780 2.281 2.279 2.284 . 0 0 "[ . 1 . 2]" 2
633 1 8 ALA H 1 30 TRP HB2 . . 5.150 4.075 4.058 4.099 . 0 0 "[ . 1 . 2]" 2
634 1 8 ALA HA 1 30 TRP HB2 . . 4.260 3.180 3.154 3.216 . 0 0 "[ . 1 . 2]" 2
635 1 8 ALA MB 1 30 TRP HB3 . . 4.890 4.185 4.125 4.232 . 0 0 "[ . 1 . 2]" 2
636 1 6 PHE HA 1 30 TRP HB3 . . 4.750 4.765 4.757 4.772 0.022 20 0 "[ . 1 . 2]" 2
637 1 8 ALA HA 1 30 TRP HB3 . . 3.900 3.006 2.970 3.052 . 0 0 "[ . 1 . 2]" 2
638 1 30 TRP HB3 1 31 CYS H . . 4.160 4.085 4.082 4.087 . 0 0 "[ . 1 . 2]" 2
639 1 30 TRP HB3 1 30 TRP HE3 . . 3.670 2.400 2.399 2.401 . 0 0 "[ . 1 . 2]" 2
640 1 22 LEU HG 1 31 CYS HB3 . . 5.110 4.791 4.781 4.803 . 0 0 "[ . 1 . 2]" 2
641 1 22 LEU HB3 1 31 CYS HB3 . . 3.160 1.986 1.983 1.989 . 0 0 "[ . 1 . 2]" 2
642 1 22 LEU HB3 1 31 CYS HB2 . . 3.680 3.547 3.533 3.555 . 0 0 "[ . 1 . 2]" 2
643 1 22 LEU MD2 1 31 CYS HB2 . . 4.750 3.265 3.245 3.309 . 0 0 "[ . 1 . 2]" 2
644 1 3 LEU HB2 1 31 CYS HB2 . . 5.040 4.593 4.558 4.650 . 0 0 "[ . 1 . 2]" 2
645 1 22 LEU HB2 1 31 CYS HB2 . . 5.480 4.834 4.805 4.853 . 0 0 "[ . 1 . 2]" 2
646 1 32 LYS QB 1 33 TRP HB2 . . 4.990 4.973 4.898 4.995 0.005 20 0 "[ . 1 . 2]" 2
647 1 33 TRP HB2 1 34 GLN H . . 4.700 4.549 4.543 4.552 . 0 0 "[ . 1 . 2]" 2
648 1 22 LEU MD2 1 33 TRP HB3 . . 4.680 4.246 4.222 4.278 . 0 0 "[ . 1 . 2]" 2
649 1 5 ILE MD 1 33 TRP HB3 . . 4.790 3.227 3.208 3.268 . 0 0 "[ . 1 . 2]" 2
650 1 33 TRP HB3 1 34 GLN H . . 4.210 4.152 4.141 4.164 . 0 0 "[ . 1 . 2]" 2
651 1 34 GLN HA 1 34 GLN HG3 . . 4.120 3.476 3.122 3.589 . 0 0 "[ . 1 . 2]" 2
652 1 34 GLN HA 1 35 ILE MG . . 3.950 3.842 3.642 3.941 . 0 0 "[ . 1 . 2]" 2
653 1 34 GLN HA 1 35 ILE H . . 2.690 2.239 2.193 2.272 . 0 0 "[ . 1 . 2]" 2
654 1 34 GLN HB3 1 35 ILE MG . . 4.950 4.175 3.513 4.940 . 0 0 "[ . 1 . 2]" 2
655 1 34 GLN HB3 1 35 ILE H . . 4.800 3.093 2.967 3.210 . 0 0 "[ . 1 . 2]" 2
656 1 23 VAL MG2 1 34 GLN HB2 . . 4.090 4.096 4.042 4.102 0.012 16 0 "[ . 1 . 2]" 2
657 1 34 GLN HA 1 34 GLN HG2 . . 4.120 2.308 2.076 2.689 . 0 0 "[ . 1 . 2]" 2
658 1 35 ILE HA 1 35 ILE MG . . 3.670 3.101 2.241 3.202 . 0 0 "[ . 1 . 2]" 2
659 1 32 LYS QB 1 32 LYS QE . . 3.620 3.500 3.348 3.631 0.011 8 0 "[ . 1 . 2]" 2
660 1 32 LYS QE 1 32 LYS HG2 . . 3.600 2.739 2.670 2.797 . 0 0 "[ . 1 . 2]" 2
661 1 23 VAL MG2 1 32 LYS HG2 . . 4.900 4.805 4.635 4.879 . 0 0 "[ . 1 . 2]" 2
662 1 25 SER HB2 1 32 LYS HG2 . . 5.020 3.922 3.866 4.092 . 0 0 "[ . 1 . 2]" 2
663 1 32 LYS H 1 32 LYS HG2 . . 4.540 2.231 2.177 2.246 . 0 0 "[ . 1 . 2]" 2
664 1 7 LYS HA 1 7 LYS HB3 . . 2.840 2.560 2.481 2.616 . 0 0 "[ . 1 . 2]" 2
665 1 3 LEU HA 1 4 GLY HA2 . . 4.530 4.360 4.355 4.371 . 0 0 "[ . 1 . 2]" 2
666 1 3 LEU HB2 1 16 CYS HB3 . . 4.850 3.665 3.629 3.689 . 0 0 "[ . 1 . 2]" 2
667 1 3 LEU MD2 1 9 CYS HB3 . . 4.580 3.244 3.053 3.428 . 0 0 "[ . 1 . 2]" 2
668 1 6 PHE HA 1 7 LYS HA . . 4.710 4.462 4.450 4.469 . 0 0 "[ . 1 . 2]" 2
669 1 11 PRO HA 1 14 ASP HA . . 4.420 3.952 3.938 3.979 . 0 0 "[ . 1 . 2]" 2
670 1 17 CYS HB3 1 22 LEU MD1 . . 3.510 3.099 3.058 3.126 . 0 0 "[ . 1 . 2]" 2
671 1 17 CYS H 1 17 CYS HB3 . . 3.780 3.596 3.591 3.600 . 0 0 "[ . 1 . 2]" 2
672 1 21 LYS HB3 1 22 LEU MD2 . . 5.110 4.774 4.755 4.794 . 0 0 "[ . 1 . 2]" 2
673 1 22 LEU HA 1 23 VAL HA . . 4.560 4.437 4.428 4.444 . 0 0 "[ . 1 . 2]" 2
674 1 23 VAL HB 1 32 LYS QE . . 5.020 4.129 4.005 4.192 . 0 0 "[ . 1 . 2]" 2
675 1 23 VAL HB 1 31 CYS HA . . 5.360 5.164 5.133 5.188 . 0 0 "[ . 1 . 2]" 2
676 1 25 SER HB2 1 26 ARG H . . 5.050 4.163 4.153 4.172 . 0 0 "[ . 1 . 2]" 2
677 1 25 SER HB2 1 29 ARG H . . 4.990 4.116 4.069 4.151 . 0 0 "[ . 1 . 2]" 2
678 1 25 SER HB2 1 32 LYS HG3 . . 4.930 4.884 4.813 4.904 . 0 0 "[ . 1 . 2]" 2
679 1 25 SER HB3 1 29 ARG HA . . 4.710 4.519 4.472 4.547 . 0 0 "[ . 1 . 2]" 2
680 1 3 LEU HB3 1 17 CYS H . . 5.500 5.151 5.085 5.193 . 0 0 "[ . 1 . 2]" 2
681 1 3 LEU MD2 1 7 LYS HG2 . . 5.500 5.494 5.467 5.508 0.008 8 0 "[ . 1 . 2]" 2
682 1 3 LEU HA 1 3 LEU MD1 . . 4.250 3.959 3.947 3.972 . 0 0 "[ . 1 . 2]" 2
683 1 4 GLY HA2 1 17 CYS HB3 . . 4.980 4.806 4.756 4.862 . 0 0 "[ . 1 . 2]" 2
684 1 2 CYS HB3 1 17 CYS HB3 . . 5.020 4.701 4.661 4.730 . 0 0 "[ . 1 . 2]" 2
685 1 3 LEU HA 1 3 LEU HG . . 3.220 2.982 2.942 3.032 . 0 0 "[ . 1 . 2]" 2
686 1 4 GLY H 1 4 GLY HA3 . . 2.940 2.294 2.294 2.295 . 0 0 "[ . 1 . 2]" 2
687 1 4 GLY HA2 1 7 LYS HG2 . . 5.500 5.001 4.726 5.176 . 0 0 "[ . 1 . 2]" 2
688 1 5 ILE MD 1 22 LEU MD2 . . 3.020 2.300 2.175 2.361 . 0 0 "[ . 1 . 2]" 2
689 1 5 ILE H 1 5 ILE MD . . 4.480 4.444 4.414 4.455 . 0 0 "[ . 1 . 2]" 2
690 1 6 PHE HA 1 31 CYS HB2 . . 4.300 4.091 4.078 4.109 . 0 0 "[ . 1 . 2]" 2
691 1 7 LYS HA 1 7 LYS HG3 . . 3.810 3.716 3.676 3.780 . 0 0 "[ . 1 . 2]" 2
692 1 17 CYS HB3 1 22 LEU HG . . 5.500 5.468 5.423 5.494 . 0 0 "[ . 1 . 2]" 2
693 1 17 CYS HB3 1 22 LEU HB2 . . 5.100 4.780 4.731 4.811 . 0 0 "[ . 1 . 2]" 2
694 1 2 CYS HB3 1 17 CYS HB2 . . 5.380 5.317 5.249 5.347 . 0 0 "[ . 1 . 2]" 2
695 1 21 LYS QE 1 22 LEU MD1 . . 5.500 5.552 5.548 5.554 0.054 17 0 "[ . 1 . 2]" 2
696 1 7 LYS HD2 1 8 ALA H . . 4.900 3.691 3.094 4.503 . 0 0 "[ . 1 . 2]" 2
697 1 7 LYS HD3 1 8 ALA H . . 4.900 4.304 3.642 4.891 . 0 0 "[ . 1 . 2]" 2
698 1 21 LYS HB2 1 21 LYS QE . . 4.600 3.777 3.765 3.795 . 0 0 "[ . 1 . 2]" 2
699 1 7 LYS HB2 1 7 LYS HE2 . . 5.500 4.445 3.564 5.471 . 0 0 "[ . 1 . 2]" 2
700 1 7 LYS HB3 1 7 LYS HE2 . . 5.240 3.698 2.263 4.731 . 0 0 "[ . 1 . 2]" 2
701 1 18 LYS H 1 18 LYS QD . . 4.770 3.619 3.123 3.873 . 0 0 "[ . 1 . 2]" 2
702 1 18 LYS HA 1 18 LYS HG2 . . 3.170 2.857 2.686 3.127 . 0 0 "[ . 1 . 2]" 2
703 1 22 LEU HB2 1 31 CYS HB3 . . 3.930 3.328 3.297 3.343 . 0 0 "[ . 1 . 2]" 2
704 1 21 LYS QE 1 22 LEU HB3 . . 5.370 5.253 5.219 5.275 . 0 0 "[ . 1 . 2]" 2
705 1 22 LEU MD1 1 33 TRP HB2 . . 5.500 5.377 5.335 5.430 . 0 0 "[ . 1 . 2]" 2
706 1 16 CYS HB3 1 22 LEU MD1 . . 4.020 3.282 3.197 3.335 . 0 0 "[ . 1 . 2]" 2
707 1 16 CYS HB3 1 22 LEU MD2 . . 4.470 4.151 4.128 4.194 . 0 0 "[ . 1 . 2]" 2
708 1 22 LEU HA 1 33 TRP HB2 . . 5.500 5.525 5.518 5.529 0.029 12 0 "[ . 1 . 2]" 2
709 1 21 LYS QE 1 22 LEU MD2 . . 4.930 4.736 4.691 4.812 . 0 0 "[ . 1 . 2]" 2
710 1 17 CYS HB2 1 22 LEU MD2 . . 4.880 4.531 4.480 4.560 . 0 0 "[ . 1 . 2]" 2
711 1 17 CYS HB2 1 22 LEU MD1 . . 3.600 1.913 1.892 1.929 . 0 0 "[ . 1 . 2]" 2
712 1 17 CYS HB2 1 22 LEU HB3 . . 5.270 4.764 4.713 4.801 . 0 0 "[ . 1 . 2]" 2
713 1 4 GLY HA3 1 22 LEU MD1 . . 4.340 4.344 4.334 4.348 0.008 9 0 "[ . 1 . 2]" 2
714 1 4 GLY HA3 1 22 LEU MD2 . . 5.490 5.472 5.421 5.502 0.012 19 0 "[ . 1 . 2]" 2
715 1 20 SER HB2 1 22 LEU MD1 . . 3.750 1.976 1.925 2.148 . 0 0 "[ . 1 . 2]" 2
716 1 22 LEU MD2 1 31 CYS HA . . 4.460 4.318 4.286 4.366 . 0 0 "[ . 1 . 2]" 2
717 1 16 CYS HA 1 22 LEU HB3 . . 5.340 5.040 5.016 5.087 . 0 0 "[ . 1 . 2]" 2
718 1 25 SER HB2 1 27 LYS H . . 4.860 4.491 4.476 4.508 . 0 0 "[ . 1 . 2]" 2
719 1 28 THR HA 1 30 TRP HZ3 . . 4.830 3.324 3.316 3.331 . 0 0 "[ . 1 . 2]" 2
720 1 28 THR HB 1 30 TRP HZ3 . . 4.440 3.319 3.317 3.321 . 0 0 "[ . 1 . 2]" 2
721 1 7 LYS H 1 30 TRP HA . . 4.270 4.269 4.230 4.278 0.008 15 0 "[ . 1 . 2]" 2
722 1 5 ILE H 1 5 ILE QG . . 4.110 3.991 3.983 3.996 . 0 0 "[ . 1 . 2]" 2
723 1 5 ILE HA 1 5 ILE QG . . 2.740 2.347 2.332 2.355 . 0 0 "[ . 1 . 2]" 2
724 1 5 ILE QG 1 5 ILE MG . . 3.050 2.226 2.157 2.296 . 0 0 "[ . 1 . 2]" 2
725 1 5 ILE MG 1 6 PHE QB . . 4.100 3.027 2.778 3.156 . 0 0 "[ . 1 . 2]" 2
726 1 5 ILE QG 1 6 PHE H . . 3.050 2.177 2.163 2.184 . 0 0 "[ . 1 . 2]" 2
727 1 5 ILE QG 1 6 PHE QD . . 4.780 2.660 2.435 2.833 . 0 0 "[ . 1 . 2]" 2
728 1 5 ILE QG 1 6 PHE QE . . 4.680 3.534 3.400 3.689 . 0 0 "[ . 1 . 2]" 2
729 1 5 ILE QG 1 6 PHE HZ . . 5.340 4.534 4.163 4.835 . 0 0 "[ . 1 . 2]" 2
730 1 5 ILE QG 1 32 LYS HA . . 4.270 3.399 3.372 3.406 . 0 0 "[ . 1 . 2]" 2
731 1 5 ILE QG 1 33 TRP H . . 4.330 3.567 3.497 3.722 . 0 0 "[ . 1 . 2]" 2
732 1 6 PHE QB 1 7 LYS H . . 4.010 3.866 3.861 3.874 . 0 0 "[ . 1 . 2]" 2
733 1 7 LYS HA 1 7 LYS QD . . 2.620 2.148 1.991 2.441 . 0 0 "[ . 1 . 2]" 2
734 1 7 LYS HA 1 7 LYS QE . . 4.580 4.011 3.648 4.342 . 0 0 "[ . 1 . 2]" 2
735 1 7 LYS HB2 1 7 LYS QE . . 4.700 4.002 3.478 4.542 . 0 0 "[ . 1 . 2]" 2
736 1 7 LYS HB3 1 7 LYS QE . . 4.560 3.253 2.240 4.098 . 0 0 "[ . 1 . 2]" 2
737 1 10 ASN H 1 10 ASN QB . . 3.200 2.952 2.879 3.115 . 0 0 "[ . 1 . 2]" 2
738 1 10 ASN QB 1 11 PRO HD2 . . 4.860 2.415 2.332 2.581 . 0 0 "[ . 1 . 2]" 2
739 1 10 ASN QB 1 11 PRO HD3 . . 5.020 3.627 3.584 3.682 . 0 0 "[ . 1 . 2]" 2
740 1 10 ASN QB 1 12 SER H . . 4.610 2.795 2.580 2.882 . 0 0 "[ . 1 . 2]" 2
741 1 10 ASN QB 1 13 ASN H . . 3.570 3.315 2.998 3.479 . 0 0 "[ . 1 . 2]" 2
742 1 10 ASN QB 1 13 ASN HB2 . . 4.940 4.703 4.448 4.834 . 0 0 "[ . 1 . 2]" 2
743 1 10 ASN QB 1 13 ASN HB3 . . 4.930 4.493 4.423 4.574 . 0 0 "[ . 1 . 2]" 2
744 1 10 ASN HD21 1 12 SER QB . . 3.710 2.962 2.706 3.675 . 0 0 "[ . 1 . 2]" 2
745 1 10 ASN HD22 1 12 SER QB . . 4.310 3.780 3.371 4.312 0.002 1 0 "[ . 1 . 2]" 2
746 1 11 PRO HD2 1 29 ARG QD . . 5.210 4.912 4.811 5.036 . 0 0 "[ . 1 . 2]" 2
747 1 11 PRO HD3 1 29 ARG QD . . 4.880 4.567 4.468 4.703 . 0 0 "[ . 1 . 2]" 2
748 1 12 SER H 1 12 SER QB . . 3.010 2.385 2.164 2.753 . 0 0 "[ . 1 . 2]" 2
749 1 12 SER HA 1 12 SER QB . . 2.640 2.316 2.171 2.471 . 0 0 "[ . 1 . 2]" 2
750 1 12 SER QB 1 13 ASN H . . 3.540 2.930 2.801 3.468 . 0 0 "[ . 1 . 2]" 2
751 1 12 SER QB 1 13 ASN HB2 . . 4.960 3.595 3.300 4.321 . 0 0 "[ . 1 . 2]" 2
752 1 14 ASP H 1 15 GLN QG . . 4.960 4.651 4.586 4.742 . 0 0 "[ . 1 . 2]" 2
753 1 14 ASP HA 1 15 GLN QG . . 4.400 4.116 4.041 4.187 . 0 0 "[ . 1 . 2]" 2
754 1 15 GLN H 1 15 GLN QG . . 3.570 3.428 3.348 3.512 . 0 0 "[ . 1 . 2]" 2
755 1 15 GLN HA 1 15 GLN QG . . 3.370 2.405 2.189 2.786 . 0 0 "[ . 1 . 2]" 2
756 1 17 CYS H 1 20 SER QB . . 5.120 4.703 4.670 4.746 . 0 0 "[ . 1 . 2]" 2
757 1 17 CYS HB2 1 20 SER QB . . 4.100 2.771 2.737 2.851 . 0 0 "[ . 1 . 2]" 2
758 1 17 CYS HB3 1 20 SER QB . . 3.870 3.006 2.947 3.062 . 0 0 "[ . 1 . 2]" 2
759 1 18 LYS H 1 19 SER QB . . 5.130 4.711 4.492 5.013 . 0 0 "[ . 1 . 2]" 2
760 1 20 SER H 1 20 SER QB . . 3.020 2.221 2.203 2.230 . 0 0 "[ . 1 . 2]" 2
761 1 20 SER QB 1 21 LYS H . . 4.420 3.703 3.702 3.705 . 0 0 "[ . 1 . 2]" 2
762 1 20 SER QB 1 22 LEU H . . 4.670 4.171 4.159 4.177 . 0 0 "[ . 1 . 2]" 2
763 1 20 SER QB 1 22 LEU HG . . 3.320 2.570 2.425 2.626 . 0 0 "[ . 1 . 2]" 2
764 1 20 SER QB 1 22 LEU MD1 . . 3.250 1.831 1.818 1.862 . 0 0 "[ . 1 . 2]" 2
765 1 20 SER QB 1 22 LEU MD2 . . 3.920 3.195 3.071 3.253 . 0 0 "[ . 1 . 2]" 2
766 1 23 VAL HB 1 34 GLN QG . . 4.610 4.349 4.141 4.561 . 0 0 "[ . 1 . 2]" 2
767 1 23 VAL MG2 1 34 GLN QG . . 4.310 4.310 4.291 4.315 0.005 14 0 "[ . 1 . 2]" 2
768 1 27 LYS H 1 27 LYS QG . . 4.600 4.045 3.975 4.111 . 0 0 "[ . 1 . 2]" 2
769 1 27 LYS HA 1 27 LYS QG . . 3.300 2.519 2.214 2.888 . 0 0 "[ . 1 . 2]" 2
770 1 27 LYS QG 1 28 THR H . . 4.410 3.958 3.681 4.135 . 0 0 "[ . 1 . 2]" 2
771 1 27 LYS QG 1 28 THR HA . . 4.610 4.112 3.726 4.377 . 0 0 "[ . 1 . 2]" 2
772 1 27 LYS QG 1 28 THR MG . . 4.310 3.780 3.352 4.171 . 0 0 "[ . 1 . 2]" 2
773 1 29 ARG HA 1 29 ARG QD . . 4.660 4.013 3.979 4.058 . 0 0 "[ . 1 . 2]" 2
774 1 29 ARG HB3 1 29 ARG QD . . 3.680 2.368 2.334 2.417 . 0 0 "[ . 1 . 2]" 2
775 1 34 GLN H 1 34 GLN QG . . 3.900 3.451 3.350 3.552 . 0 0 "[ . 1 . 2]" 2
776 1 34 GLN HA 1 34 GLN QG . . 3.240 2.275 2.047 2.616 . 0 0 "[ . 1 . 2]" 2
777 1 34 GLN QG 1 35 ILE H . . 4.120 3.728 3.237 3.953 . 0 0 "[ . 1 . 2]" 2
778 1 34 GLN QE 1 35 ILE MG . . 4.500 3.340 2.774 4.278 . 0 0 "[ . 1 . 2]" 2
779 1 35 ILE HA 1 35 ILE QG . . 3.740 2.672 2.302 3.310 . 0 0 "[ . 1 . 2]" 2
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