NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628995 |
5w9f   |
30312 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5w9f
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 942
_Distance_constraint_stats_list.Viol_count 581
_Distance_constraint_stats_list.Viol_total 1148.426
_Distance_constraint_stats_list.Viol_max 0.407
_Distance_constraint_stats_list.Viol_rms 0.0218
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0988
_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 GLN 0.139 0.098 8 0 "[ . 1 . 2]"
1 3 GLU 1.356 0.386 3 0 "[ . 1 . 2]"
1 4 THR 1.770 0.386 3 0 "[ . 1 . 2]"
1 5 ARG 3.588 0.270 15 0 "[ . 1 . 2]"
1 6 LYS 3.457 0.259 19 0 "[ . 1 . 2]"
1 7 LYS 1.339 0.192 5 0 "[ . 1 . 2]"
1 8 CYS 0.888 0.163 2 0 "[ . 1 . 2]"
1 9 THR 1.425 0.194 12 0 "[ . 1 . 2]"
1 10 GLU 1.585 0.174 3 0 "[ . 1 . 2]"
1 11 MET 2.213 0.228 4 0 "[ . 1 . 2]"
1 12 LYS 1.343 0.190 18 0 "[ . 1 . 2]"
1 13 LYS 1.326 0.174 3 0 "[ . 1 . 2]"
1 14 LYS 1.702 0.346 12 0 "[ . 1 . 2]"
1 15 PHE 6.743 0.346 12 0 "[ . 1 . 2]"
1 16 LYS 0.772 0.159 20 0 "[ . 1 . 2]"
1 17 ASN 0.657 0.092 19 0 "[ . 1 . 2]"
1 18 CYS 0.748 0.073 2 0 "[ . 1 . 2]"
1 19 GLU 5.219 0.315 15 0 "[ . 1 . 2]"
1 20 VAL 8.845 0.407 1 0 "[ . 1 . 2]"
1 21 ARG 2.354 0.199 15 0 "[ . 1 . 2]"
1 22 CYS 1.129 0.214 2 0 "[ . 1 . 2]"
1 23 ASP 2.613 0.270 15 0 "[ . 1 . 2]"
1 24 GLU 0.606 0.277 3 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASN 0.138 0.138 3 0 "[ . 1 . 2]"
1 27 HIS 0.700 0.277 3 0 "[ . 1 . 2]"
1 28 CYS 0.761 0.180 20 0 "[ . 1 . 2]"
1 29 VAL 2.630 0.214 2 0 "[ . 1 . 2]"
1 30 GLU 2.704 0.199 15 0 "[ . 1 . 2]"
1 31 VAL 8.779 0.236 12 0 "[ . 1 . 2]"
1 32 ARG 5.864 0.315 15 0 "[ . 1 . 2]"
1 33 CYS 1.877 0.329 16 0 "[ . 1 . 2]"
1 34 SER 0.391 0.329 16 0 "[ . 1 . 2]"
1 35 ASP 0.906 0.153 6 0 "[ . 1 . 2]"
1 36 THR 1.966 0.175 13 0 "[ . 1 . 2]"
1 37 LYS 0.406 0.139 9 0 "[ . 1 . 2]"
1 38 TYR 20.156 0.407 1 0 "[ . 1 . 2]"
1 39 THR 1.246 0.180 12 0 "[ . 1 . 2]"
1 40 LEU 11.501 0.357 18 0 "[ . 1 . 2]"
1 41 CYS 2.315 0.232 2 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 GLN HA 1 3 GLU H 3.730 . 3.730 2.714 2.110 3.387 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN HA 1 5 ARG QB 4.530 . 4.530 2.825 1.828 4.120 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN HA 1 5 ARG HD2 5.890 . 5.890 3.246 2.027 5.127 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLN HA 1 5 ARG HD3 5.890 . 5.890 4.020 1.679 5.700 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLN HA 1 5 ARG HG2 5.890 . 5.890 4.786 3.908 5.813 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLN HA 1 5 ARG HG3 5.890 . 5.890 3.601 2.277 4.747 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLN HB2 1 3 GLU H 5.710 . 5.710 4.545 4.364 4.669 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLN HB3 1 3 GLU H 5.710 . 5.710 4.209 3.452 4.672 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLN QG 1 3 GLU H 5.890 . 5.890 4.170 3.519 4.539 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLN QG 1 4 THR H 5.890 . 5.890 5.410 4.892 5.988 0.098 8 0 "[ . 1 . 2]" 1
11 1 2 GLN QG 1 6 LYS H 5.890 . 5.890 2.850 2.272 3.760 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLN QG 1 7 LYS H 5.890 . 5.890 4.987 4.446 5.794 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLU H 1 3 GLU QB 3.510 . 3.510 2.525 2.168 3.090 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLU H 1 3 GLU QG 4.490 . 4.490 3.336 1.932 4.281 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU H 1 4 THR H 4.330 . 4.330 2.711 2.296 3.267 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU H 1 4 THR HA 5.380 . 5.380 5.192 4.529 5.527 0.147 7 0 "[ . 1 . 2]" 1
17 1 3 GLU H 1 4 THR MG 5.890 . 5.890 3.929 3.273 6.030 0.140 3 0 "[ . 1 . 2]" 1
18 1 3 GLU H 1 5 ARG H 5.890 . 5.890 3.473 2.327 4.337 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLU H 1 5 ARG QB 5.890 . 5.890 4.357 3.066 5.472 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLU H 1 6 LYS QB 5.890 . 5.890 4.763 3.193 5.835 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLU QB 1 4 THR H 4.170 . 4.170 2.428 1.798 3.529 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLU QB 1 4 THR MG 4.930 . 4.930 3.730 2.577 5.316 0.386 3 0 "[ . 1 . 2]" 1
23 1 3 GLU QB 1 5 ARG H 5.440 . 5.440 4.429 3.821 5.330 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLU QG 1 4 THR H 5.350 . 5.350 3.102 1.678 4.193 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLU QG 1 5 ARG H 5.890 . 5.890 4.943 3.006 5.956 0.066 18 0 "[ . 1 . 2]" 1
26 1 4 THR H 1 4 THR HB 3.830 . 3.830 2.692 2.497 2.866 . 0 0 "[ . 1 . 2]" 1
27 1 4 THR H 1 4 THR MG 4.100 . 4.100 2.113 1.749 3.762 . 0 0 "[ . 1 . 2]" 1
28 1 4 THR H 1 5 ARG H 3.810 . 3.810 2.525 2.275 2.727 . 0 0 "[ . 1 . 2]" 1
29 1 4 THR H 1 5 ARG QB 5.340 . 5.340 4.656 4.367 4.903 . 0 0 "[ . 1 . 2]" 1
30 1 4 THR H 1 5 ARG HG2 5.890 . 5.890 5.604 4.769 5.972 0.082 2 0 "[ . 1 . 2]" 1
31 1 4 THR H 1 5 ARG HG3 5.890 . 5.890 4.242 3.322 5.276 . 0 0 "[ . 1 . 2]" 1
32 1 4 THR HA 1 7 LYS HB2 5.380 . 5.380 3.262 2.493 4.537 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR HA 1 7 LYS QB 4.570 . 4.570 2.514 2.092 3.082 . 0 0 "[ . 1 . 2]" 1
34 1 4 THR HA 1 7 LYS HB3 5.380 . 5.380 2.638 2.198 3.460 . 0 0 "[ . 1 . 2]" 1
35 1 4 THR HA 1 7 LYS QD 5.890 . 5.890 3.585 3.006 4.851 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR HB 1 5 ARG H 4.180 . 4.180 4.005 2.693 4.226 0.046 19 0 "[ . 1 . 2]" 1
37 1 4 THR HB 1 5 ARG QG 5.710 . 5.710 5.010 3.203 5.753 0.043 2 0 "[ . 1 . 2]" 1
38 1 4 THR HB 1 27 HIS H 5.890 . 5.890 5.172 4.142 5.865 . 0 0 "[ . 1 . 2]" 1
39 1 4 THR MG 1 5 ARG H 4.990 . 4.990 2.533 2.011 3.885 . 0 0 "[ . 1 . 2]" 1
40 1 4 THR MG 1 5 ARG QB 5.500 . 5.500 4.018 3.573 5.200 . 0 0 "[ . 1 . 2]" 1
41 1 4 THR MG 1 5 ARG QG 5.450 . 5.450 2.689 1.984 4.437 . 0 0 "[ . 1 . 2]" 1
42 1 4 THR MG 1 6 LYS H 5.890 . 5.890 4.630 4.276 5.394 . 0 0 "[ . 1 . 2]" 1
43 1 4 THR MG 1 8 CYS H 5.890 . 5.890 5.191 4.342 5.744 . 0 0 "[ . 1 . 2]" 1
44 1 4 THR MG 1 8 CYS QB 5.890 . 5.890 4.810 3.807 5.441 . 0 0 "[ . 1 . 2]" 1
45 1 4 THR MG 1 23 ASP H 5.890 . 5.890 3.923 2.612 4.934 . 0 0 "[ . 1 . 2]" 1
46 1 4 THR MG 1 24 GLU HA 5.590 . 5.590 2.116 1.642 3.245 . 0 0 "[ . 1 . 2]" 1
47 1 4 THR MG 1 25 SER H 5.890 . 5.890 4.808 4.522 5.116 . 0 0 "[ . 1 . 2]" 1
48 1 4 THR MG 1 27 HIS H 5.890 . 5.890 3.705 2.961 4.071 . 0 0 "[ . 1 . 2]" 1
49 1 4 THR MG 1 27 HIS HA 5.410 . 5.410 2.164 1.685 2.974 . 0 0 "[ . 1 . 2]" 1
50 1 4 THR MG 1 27 HIS HB2 5.890 . 5.890 4.473 3.972 5.469 . 0 0 "[ . 1 . 2]" 1
51 1 4 THR MG 1 27 HIS HB3 5.890 . 5.890 3.457 2.758 4.533 . 0 0 "[ . 1 . 2]" 1
52 1 4 THR MG 1 28 CYS H 5.710 . 5.710 3.878 2.593 5.044 . 0 0 "[ . 1 . 2]" 1
53 1 4 THR MG 1 29 VAL MG2 4.640 . 4.640 3.927 2.199 4.576 . 0 0 "[ . 1 . 2]" 1
54 1 5 ARG H 1 5 ARG QB 3.510 . 3.510 2.512 2.362 2.736 . 0 0 "[ . 1 . 2]" 1
55 1 5 ARG H 1 5 ARG HD2 5.890 . 5.890 4.001 2.011 4.614 . 0 0 "[ . 1 . 2]" 1
56 1 5 ARG H 1 5 ARG HD3 5.890 . 5.890 4.533 2.616 4.986 . 0 0 "[ . 1 . 2]" 1
57 1 5 ARG H 1 5 ARG HG2 4.540 . 4.540 3.510 3.087 4.009 . 0 0 "[ . 1 . 2]" 1
58 1 5 ARG H 1 5 ARG QG 3.880 . 3.880 2.374 1.942 3.245 . 0 0 "[ . 1 . 2]" 1
59 1 5 ARG H 1 5 ARG HG3 4.540 . 4.540 2.422 1.962 3.435 . 0 0 "[ . 1 . 2]" 1
60 1 5 ARG H 1 6 LYS H 4.000 . 4.000 2.605 2.431 2.746 . 0 0 "[ . 1 . 2]" 1
61 1 5 ARG H 1 8 CYS QB 5.890 . 5.890 4.909 4.445 5.832 . 0 0 "[ . 1 . 2]" 1
62 1 5 ARG HA 1 5 ARG HE 5.890 . 5.890 5.050 3.835 5.738 . 0 0 "[ . 1 . 2]" 1
63 1 5 ARG HA 1 8 CYS QB 4.550 . 4.550 2.736 2.137 3.671 . 0 0 "[ . 1 . 2]" 1
64 1 5 ARG QB 1 6 LYS H 4.750 . 4.750 2.581 2.336 2.858 . 0 0 "[ . 1 . 2]" 1
65 1 5 ARG QB 1 8 CYS QB 5.360 . 5.360 4.114 3.703 4.694 . 0 0 "[ . 1 . 2]" 1
66 1 5 ARG QB 1 23 ASP H 5.890 . 5.890 6.007 5.663 6.160 0.270 15 0 "[ . 1 . 2]" 1
67 1 5 ARG HD2 1 6 LYS H 5.890 . 5.890 5.149 4.210 6.149 0.259 19 0 "[ . 1 . 2]" 1
68 1 5 ARG HD3 1 6 LYS H 5.890 . 5.890 5.422 4.060 5.891 0.001 9 0 "[ . 1 . 2]" 1
69 1 5 ARG QG 1 23 ASP H 5.710 . 5.710 4.751 4.140 5.531 . 0 0 "[ . 1 . 2]" 1
70 1 5 ARG HG2 1 6 LYS H 5.890 . 5.890 5.028 4.765 5.299 . 0 0 "[ . 1 . 2]" 1
71 1 5 ARG HG3 1 6 LYS H 5.890 . 5.890 4.360 3.860 4.988 . 0 0 "[ . 1 . 2]" 1
72 1 6 LYS H 1 6 LYS QD 4.950 . 4.950 4.156 3.898 4.484 . 0 0 "[ . 1 . 2]" 1
73 1 6 LYS H 1 6 LYS QE 5.890 . 5.890 5.163 4.400 5.790 . 0 0 "[ . 1 . 2]" 1
74 1 6 LYS H 1 6 LYS QG 5.100 . 5.100 3.367 2.317 4.124 . 0 0 "[ . 1 . 2]" 1
75 1 6 LYS H 1 8 CYS QB 5.890 . 5.890 4.850 4.544 5.229 . 0 0 "[ . 1 . 2]" 1
76 1 6 LYS HA 1 9 THR H 5.060 . 5.060 3.418 3.118 3.866 . 0 0 "[ . 1 . 2]" 1
77 1 6 LYS HA 1 9 THR HB 4.260 . 4.260 2.907 2.379 3.695 . 0 0 "[ . 1 . 2]" 1
78 1 6 LYS HA 1 9 THR MG 5.370 . 5.370 4.144 3.671 4.834 . 0 0 "[ . 1 . 2]" 1
79 1 6 LYS QB 1 9 THR HB 5.890 . 5.890 4.356 3.513 5.112 . 0 0 "[ . 1 . 2]" 1
80 1 6 LYS QD 1 7 LYS H 4.890 . 4.890 3.051 2.435 3.708 . 0 0 "[ . 1 . 2]" 1
81 1 6 LYS QD 1 7 LYS HA 4.820 . 4.820 2.920 2.461 3.338 . 0 0 "[ . 1 . 2]" 1
82 1 6 LYS QD 1 8 CYS H 5.890 . 5.890 5.012 4.567 5.446 . 0 0 "[ . 1 . 2]" 1
83 1 6 LYS QD 1 9 THR H 5.890 . 5.890 5.337 4.887 5.930 0.040 4 0 "[ . 1 . 2]" 1
84 1 6 LYS QD 1 10 GLU H 5.890 . 5.890 4.512 3.729 5.300 . 0 0 "[ . 1 . 2]" 1
85 1 6 LYS QE 1 7 LYS H 5.890 . 5.890 3.734 2.990 4.475 . 0 0 "[ . 1 . 2]" 1
86 1 6 LYS QE 1 7 LYS HA 5.890 . 5.890 2.848 2.191 3.232 . 0 0 "[ . 1 . 2]" 1
87 1 6 LYS QE 1 7 LYS QB 5.710 . 5.710 3.202 2.105 4.158 . 0 0 "[ . 1 . 2]" 1
88 1 6 LYS QE 1 9 THR HB 5.890 . 5.890 5.590 4.647 6.084 0.194 12 0 "[ . 1 . 2]" 1
89 1 6 LYS QE 1 11 MET ME 5.890 . 5.890 5.160 4.162 5.756 . 0 0 "[ . 1 . 2]" 1
90 1 6 LYS QE 1 40 LEU MD2 5.890 . 5.890 5.952 5.484 6.043 0.153 1 0 "[ . 1 . 2]" 1
91 1 6 LYS QG 1 7 LYS H 4.680 . 4.680 3.080 2.170 3.953 . 0 0 "[ . 1 . 2]" 1
92 1 6 LYS QG 1 8 CYS H 5.710 . 5.710 5.116 4.572 5.654 . 0 0 "[ . 1 . 2]" 1
93 1 6 LYS QG 1 9 THR H 5.710 . 5.710 5.291 4.920 5.617 . 0 0 "[ . 1 . 2]" 1
94 1 6 LYS QG 1 10 GLU H 5.710 . 5.710 4.877 4.154 5.569 . 0 0 "[ . 1 . 2]" 1
95 1 6 LYS QG 1 10 GLU QB 5.540 . 5.540 4.152 3.260 4.987 . 0 0 "[ . 1 . 2]" 1
96 1 6 LYS HG2 1 7 LYS H 5.530 . 5.530 4.047 3.869 4.194 . 0 0 "[ . 1 . 2]" 1
97 1 6 LYS HG3 1 7 LYS H 5.530 . 5.530 3.539 2.181 4.832 . 0 0 "[ . 1 . 2]" 1
98 1 7 LYS H 1 7 LYS QB 3.850 . 3.850 2.230 2.163 2.288 . 0 0 "[ . 1 . 2]" 1
99 1 7 LYS H 1 7 LYS QE 5.890 . 5.890 4.402 3.966 5.833 . 0 0 "[ . 1 . 2]" 1
100 1 7 LYS H 1 8 CYS H 4.110 . 4.110 2.621 2.505 2.783 . 0 0 "[ . 1 . 2]" 1
101 1 7 LYS H 1 8 CYS QB 5.640 . 5.640 4.353 4.146 4.562 . 0 0 "[ . 1 . 2]" 1
102 1 7 LYS H 1 29 VAL MG2 5.890 . 5.890 4.154 3.839 4.415 . 0 0 "[ . 1 . 2]" 1
103 1 7 LYS HA 1 9 THR H 5.770 . 5.770 4.445 4.288 4.628 . 0 0 "[ . 1 . 2]" 1
104 1 7 LYS HA 1 10 GLU H 4.670 . 4.670 3.356 3.082 3.733 . 0 0 "[ . 1 . 2]" 1
105 1 7 LYS HA 1 10 GLU HB2 4.990 . 4.990 3.208 2.681 3.911 . 0 0 "[ . 1 . 2]" 1
106 1 7 LYS HA 1 10 GLU QB 4.340 . 4.340 2.380 1.840 3.004 . 0 0 "[ . 1 . 2]" 1
107 1 7 LYS HA 1 10 GLU HB3 4.990 . 4.990 2.462 1.874 3.148 . 0 0 "[ . 1 . 2]" 1
108 1 7 LYS HA 1 10 GLU QG 5.590 . 5.590 4.241 3.458 5.057 . 0 0 "[ . 1 . 2]" 1
109 1 7 LYS HA 1 11 MET ME 5.750 . 5.750 4.272 3.946 4.763 . 0 0 "[ . 1 . 2]" 1
110 1 7 LYS HA 1 11 MET QG 5.710 . 5.710 3.901 3.613 4.222 . 0 0 "[ . 1 . 2]" 1
111 1 7 LYS QB 1 8 CYS H 3.970 . 3.970 2.683 2.405 2.935 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS QB 1 8 CYS HA 5.400 . 5.400 4.303 4.043 4.453 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS QB 1 8 CYS QB 5.710 . 5.710 4.131 3.780 4.393 . 0 0 "[ . 1 . 2]" 1
114 1 7 LYS QB 1 11 MET ME 5.710 . 5.710 4.968 4.628 5.408 . 0 0 "[ . 1 . 2]" 1
115 1 7 LYS QB 1 29 VAL MG2 4.570 . 4.570 2.472 2.144 2.783 . 0 0 "[ . 1 . 2]" 1
116 1 7 LYS HB2 1 8 CYS H 4.700 . 4.700 3.937 3.710 4.159 . 0 0 "[ . 1 . 2]" 1
117 1 7 LYS HB2 1 29 VAL MG2 5.390 . 5.390 3.929 3.581 4.270 . 0 0 "[ . 1 . 2]" 1
118 1 7 LYS HB3 1 8 CYS H 4.700 . 4.700 2.733 2.437 3.000 . 0 0 "[ . 1 . 2]" 1
119 1 7 LYS HB3 1 29 VAL MG2 5.390 . 5.390 2.498 2.161 2.820 . 0 0 "[ . 1 . 2]" 1
120 1 7 LYS QD 1 8 CYS H 5.890 . 5.890 4.865 4.420 5.474 . 0 0 "[ . 1 . 2]" 1
121 1 7 LYS QD 1 11 MET ME 4.850 . 4.850 4.481 3.841 4.936 0.086 6 0 "[ . 1 . 2]" 1
122 1 7 LYS QD 1 11 MET QG 5.710 . 5.710 3.919 3.488 4.517 . 0 0 "[ . 1 . 2]" 1
123 1 7 LYS QD 1 29 VAL H 5.680 . 5.680 3.686 2.723 5.122 . 0 0 "[ . 1 . 2]" 1
124 1 7 LYS QD 1 29 VAL HB 4.800 . 4.800 3.320 2.462 4.405 . 0 0 "[ . 1 . 2]" 1
125 1 7 LYS QD 1 29 VAL MG1 5.660 . 5.660 4.311 3.714 5.052 . 0 0 "[ . 1 . 2]" 1
126 1 7 LYS QD 1 29 VAL MG2 4.590 . 4.590 2.852 2.097 3.894 . 0 0 "[ . 1 . 2]" 1
127 1 7 LYS QD 1 40 LEU MD2 4.540 . 4.540 2.987 2.251 4.032 . 0 0 "[ . 1 . 2]" 1
128 1 7 LYS QE 1 29 VAL MG1 5.890 . 5.890 5.629 4.422 5.964 0.074 15 0 "[ . 1 . 2]" 1
129 1 7 LYS QE 1 40 LEU MD1 5.700 . 5.700 5.520 4.107 5.892 0.192 5 0 "[ . 1 . 2]" 1
130 1 7 LYS QE 1 40 LEU MD2 4.960 . 4.960 3.696 2.224 4.917 . 0 0 "[ . 1 . 2]" 1
131 1 7 LYS QE 1 40 LEU HG 5.760 . 5.760 5.261 3.495 5.809 0.049 5 0 "[ . 1 . 2]" 1
132 1 7 LYS QG 1 8 CYS H 5.160 . 5.160 3.800 3.541 4.207 . 0 0 "[ . 1 . 2]" 1
133 1 7 LYS QG 1 8 CYS HA 5.670 . 5.670 3.996 3.676 4.686 . 0 0 "[ . 1 . 2]" 1
134 1 7 LYS QG 1 8 CYS QB 5.710 . 5.710 4.797 4.478 5.397 . 0 0 "[ . 1 . 2]" 1
135 1 7 LYS QG 1 10 GLU QB 5.090 . 5.090 3.514 3.008 4.026 . 0 0 "[ . 1 . 2]" 1
136 1 7 LYS QG 1 11 MET ME 4.500 . 4.500 3.211 2.740 3.679 . 0 0 "[ . 1 . 2]" 1
137 1 7 LYS QG 1 29 VAL MG2 4.820 . 4.820 2.620 2.140 3.210 . 0 0 "[ . 1 . 2]" 1
138 1 7 LYS HG2 1 8 CYS H 5.890 . 5.890 3.980 3.693 4.498 . 0 0 "[ . 1 . 2]" 1
139 1 7 LYS HG2 1 10 GLU H 5.890 . 5.890 5.538 5.224 5.815 . 0 0 "[ . 1 . 2]" 1
140 1 7 LYS HG2 1 11 MET H 5.890 . 5.890 4.612 4.297 4.982 . 0 0 "[ . 1 . 2]" 1
141 1 7 LYS HG2 1 11 MET ME 5.190 . 5.190 3.940 3.623 4.716 . 0 0 "[ . 1 . 2]" 1
142 1 7 LYS HG2 1 11 MET HG2 5.890 . 5.890 2.902 2.583 3.261 . 0 0 "[ . 1 . 2]" 1
143 1 7 LYS HG2 1 11 MET HG3 5.890 . 5.890 3.251 2.951 3.715 . 0 0 "[ . 1 . 2]" 1
144 1 7 LYS HG2 1 29 VAL HB 5.890 . 5.890 3.204 2.606 3.705 . 0 0 "[ . 1 . 2]" 1
145 1 7 LYS HG2 1 29 VAL MG1 5.890 . 5.890 3.532 3.070 4.167 . 0 0 "[ . 1 . 2]" 1
146 1 7 LYS HG2 1 29 VAL MG2 5.560 . 5.560 2.655 2.156 3.279 . 0 0 "[ . 1 . 2]" 1
147 1 7 LYS HG3 1 8 CYS H 5.890 . 5.890 4.827 4.549 5.059 . 0 0 "[ . 1 . 2]" 1
148 1 7 LYS HG3 1 10 GLU H 5.890 . 5.890 5.487 5.157 5.976 0.086 10 0 "[ . 1 . 2]" 1
149 1 7 LYS HG3 1 11 MET H 5.890 . 5.890 4.942 4.430 5.478 . 0 0 "[ . 1 . 2]" 1
150 1 7 LYS HG3 1 11 MET ME 5.190 . 5.190 3.426 2.829 4.046 . 0 0 "[ . 1 . 2]" 1
151 1 7 LYS HG3 1 11 MET HG2 5.890 . 5.890 3.394 2.803 3.926 . 0 0 "[ . 1 . 2]" 1
152 1 7 LYS HG3 1 11 MET HG3 5.890 . 5.890 4.295 3.733 5.044 . 0 0 "[ . 1 . 2]" 1
153 1 7 LYS HG3 1 29 VAL HB 5.890 . 5.890 4.843 4.139 5.469 . 0 0 "[ . 1 . 2]" 1
154 1 7 LYS HG3 1 29 VAL MG1 5.890 . 5.890 4.962 4.456 5.581 . 0 0 "[ . 1 . 2]" 1
155 1 7 LYS HG3 1 29 VAL MG2 5.560 . 5.560 4.064 3.642 4.572 . 0 0 "[ . 1 . 2]" 1
156 1 8 CYS CB 1 22 CYS SG 3.320 . 3.320 3.030 2.962 3.056 . 0 0 "[ . 1 . 2]" 1
157 1 8 CYS H 1 8 CYS QB 3.520 . 3.520 2.248 2.117 2.310 . 0 0 "[ . 1 . 2]" 1
158 1 8 CYS H 1 9 THR H 4.390 . 4.390 2.719 2.606 2.875 . 0 0 "[ . 1 . 2]" 1
159 1 8 CYS H 1 9 THR HA 5.890 . 5.890 5.343 5.252 5.461 . 0 0 "[ . 1 . 2]" 1
160 1 8 CYS H 1 11 MET HG2 5.890 . 5.890 5.056 4.635 5.420 . 0 0 "[ . 1 . 2]" 1
161 1 8 CYS H 1 11 MET HG3 5.890 . 5.890 5.653 5.106 5.916 0.026 16 0 "[ . 1 . 2]" 1
162 1 8 CYS H 1 29 VAL MG1 5.890 . 5.890 4.094 3.779 4.508 . 0 0 "[ . 1 . 2]" 1
163 1 8 CYS H 1 29 VAL MG2 5.260 . 5.260 2.719 2.467 3.137 . 0 0 "[ . 1 . 2]" 1
164 1 8 CYS HA 1 9 THR HA 5.610 . 5.610 4.891 4.832 4.944 . 0 0 "[ . 1 . 2]" 1
165 1 8 CYS HA 1 11 MET H 5.190 . 5.190 3.528 3.248 3.925 . 0 0 "[ . 1 . 2]" 1
166 1 8 CYS HA 1 11 MET HB2 5.080 . 5.080 2.830 2.415 3.323 . 0 0 "[ . 1 . 2]" 1
167 1 8 CYS HA 1 11 MET HB3 5.890 . 5.890 4.495 4.084 4.999 . 0 0 "[ . 1 . 2]" 1
168 1 8 CYS HA 1 11 MET HG2 5.890 . 5.890 3.852 3.384 4.650 . 0 0 "[ . 1 . 2]" 1
169 1 8 CYS HA 1 11 MET HG3 5.890 . 5.890 3.900 3.368 4.599 . 0 0 "[ . 1 . 2]" 1
170 1 8 CYS HA 1 12 LYS H 5.720 . 5.720 4.215 3.897 4.564 . 0 0 "[ . 1 . 2]" 1
171 1 8 CYS HA 1 12 LYS HG2 5.890 . 5.890 5.267 3.871 5.839 . 0 0 "[ . 1 . 2]" 1
172 1 8 CYS HA 1 12 LYS QG 5.170 . 5.170 3.945 3.477 4.198 . 0 0 "[ . 1 . 2]" 1
173 1 8 CYS HA 1 12 LYS HG3 5.890 . 5.890 4.251 3.582 5.735 . 0 0 "[ . 1 . 2]" 1
174 1 8 CYS HA 1 20 VAL MG1 5.550 . 5.550 2.770 2.495 3.232 . 0 0 "[ . 1 . 2]" 1
175 1 8 CYS HA 1 29 VAL MG1 4.880 . 4.880 2.242 1.855 2.890 . 0 0 "[ . 1 . 2]" 1
176 1 8 CYS HA 1 29 VAL MG2 4.590 . 4.590 2.649 2.426 2.978 . 0 0 "[ . 1 . 2]" 1
177 1 8 CYS QB 1 9 THR H 3.820 . 3.820 2.569 2.314 2.813 . 0 0 "[ . 1 . 2]" 1
178 1 8 CYS QB 1 9 THR HA 5.850 . 5.850 4.277 4.076 4.673 . 0 0 "[ . 1 . 2]" 1
179 1 8 CYS QB 1 9 THR HB 5.840 . 5.840 4.898 4.528 5.153 . 0 0 "[ . 1 . 2]" 1
180 1 8 CYS QB 1 10 GLU H 5.890 . 5.890 4.758 4.516 4.943 . 0 0 "[ . 1 . 2]" 1
181 1 8 CYS QB 1 11 MET H 5.890 . 5.890 5.047 4.917 5.363 . 0 0 "[ . 1 . 2]" 1
182 1 8 CYS QB 1 12 LYS HG2 5.890 . 5.890 5.634 4.573 6.053 0.163 2 0 "[ . 1 . 2]" 1
183 1 8 CYS QB 1 12 LYS HG3 5.890 . 5.890 4.593 4.212 5.233 . 0 0 "[ . 1 . 2]" 1
184 1 8 CYS QB 1 20 VAL MG1 5.890 . 5.890 3.734 3.398 4.309 . 0 0 "[ . 1 . 2]" 1
185 1 8 CYS QB 1 22 CYS QB 4.300 . 4.300 2.530 1.806 3.073 . 0 0 "[ . 1 . 2]" 1
186 1 8 CYS QB 1 29 VAL MG1 5.890 . 5.890 3.088 2.572 4.089 . 0 0 "[ . 1 . 2]" 1
187 1 8 CYS QB 1 29 VAL MG2 5.040 . 5.040 2.338 1.983 3.251 . 0 0 "[ . 1 . 2]" 1
188 1 8 CYS SG 1 22 CYS CB 3.320 . 3.320 3.033 2.977 3.086 . 0 0 "[ . 1 . 2]" 1
189 1 8 CYS SG 1 22 CYS SG 2.250 . 2.250 2.022 2.010 2.031 . 0 0 "[ . 1 . 2]" 1
190 1 9 THR H 1 9 THR HB 3.860 . 3.860 2.591 2.447 2.719 . 0 0 "[ . 1 . 2]" 1
191 1 9 THR H 1 9 THR MG 4.430 . 4.430 3.783 3.751 3.813 . 0 0 "[ . 1 . 2]" 1
192 1 9 THR H 1 10 GLU H 4.160 . 4.160 2.670 2.539 2.770 . 0 0 "[ . 1 . 2]" 1
193 1 9 THR H 1 10 GLU HA 5.890 . 5.890 5.315 5.208 5.406 . 0 0 "[ . 1 . 2]" 1
194 1 9 THR H 1 10 GLU HB2 5.890 . 5.890 4.994 4.820 5.209 . 0 0 "[ . 1 . 2]" 1
195 1 9 THR H 1 10 GLU HB3 5.890 . 5.890 4.781 4.480 5.010 . 0 0 "[ . 1 . 2]" 1
196 1 9 THR H 1 11 MET HB2 5.890 . 5.890 5.345 5.071 5.668 . 0 0 "[ . 1 . 2]" 1
197 1 9 THR H 1 12 LYS QG 5.710 . 5.710 4.730 4.172 5.094 . 0 0 "[ . 1 . 2]" 1
198 1 9 THR H 1 29 VAL MG2 5.890 . 5.890 4.759 4.533 5.315 . 0 0 "[ . 1 . 2]" 1
199 1 9 THR HA 1 11 MET H 5.890 . 5.890 4.502 4.244 4.880 . 0 0 "[ . 1 . 2]" 1
200 1 9 THR HA 1 12 LYS H 4.670 . 4.670 3.548 3.168 3.908 . 0 0 "[ . 1 . 2]" 1
201 1 9 THR HA 1 12 LYS QB 4.130 . 4.130 2.782 2.330 3.110 . 0 0 "[ . 1 . 2]" 1
202 1 9 THR HA 1 12 LYS QD 5.420 . 5.420 3.751 2.125 5.153 . 0 0 "[ . 1 . 2]" 1
203 1 9 THR HA 1 12 LYS QE 5.690 . 5.690 3.850 1.850 5.778 0.088 3 0 "[ . 1 . 2]" 1
204 1 9 THR HA 1 12 LYS QG 4.290 . 4.290 3.413 2.345 4.061 . 0 0 "[ . 1 . 2]" 1
205 1 9 THR HA 1 13 LYS H 5.560 . 5.560 4.289 3.933 4.852 . 0 0 "[ . 1 . 2]" 1
206 1 9 THR HB 1 10 GLU H 4.230 . 4.230 2.555 2.317 2.823 . 0 0 "[ . 1 . 2]" 1
207 1 9 THR HB 1 11 MET H 5.890 . 5.890 5.040 4.912 5.234 . 0 0 "[ . 1 . 2]" 1
208 1 9 THR HB 1 13 LYS QE 5.890 . 5.890 4.614 3.384 5.969 0.079 13 0 "[ . 1 . 2]" 1
209 1 9 THR MG 1 10 GLU H 4.900 . 4.900 3.563 3.356 3.827 . 0 0 "[ . 1 . 2]" 1
210 1 9 THR MG 1 10 GLU HA 5.480 . 5.480 3.735 3.422 4.177 . 0 0 "[ . 1 . 2]" 1
211 1 9 THR MG 1 11 MET H 5.890 . 5.890 5.204 5.049 5.420 . 0 0 "[ . 1 . 2]" 1
212 1 9 THR MG 1 12 LYS H 5.890 . 5.890 4.805 4.490 5.064 . 0 0 "[ . 1 . 2]" 1
213 1 9 THR MG 1 12 LYS QB 5.410 . 5.410 3.872 3.179 4.354 . 0 0 "[ . 1 . 2]" 1
214 1 9 THR MG 1 13 LYS H 5.890 . 5.890 4.334 4.055 4.860 . 0 0 "[ . 1 . 2]" 1
215 1 9 THR MG 1 13 LYS QB 5.780 . 5.780 3.993 3.027 5.137 . 0 0 "[ . 1 . 2]" 1
216 1 9 THR MG 1 13 LYS QD 4.680 . 4.680 3.224 2.144 4.117 . 0 0 "[ . 1 . 2]" 1
217 1 9 THR MG 1 13 LYS QE 5.290 . 5.290 2.778 1.706 4.100 . 0 0 "[ . 1 . 2]" 1
218 1 9 THR MG 1 13 LYS QG 4.840 . 4.840 3.593 2.721 4.414 . 0 0 "[ . 1 . 2]" 1
219 1 10 GLU H 1 10 GLU HB2 4.190 . 4.190 2.513 2.389 2.652 . 0 0 "[ . 1 . 2]" 1
220 1 10 GLU H 1 10 GLU QB 3.640 . 3.640 2.220 2.139 2.285 . 0 0 "[ . 1 . 2]" 1
221 1 10 GLU H 1 10 GLU HB3 4.190 . 4.190 2.484 2.344 2.640 . 0 0 "[ . 1 . 2]" 1
222 1 10 GLU H 1 10 GLU HG2 5.150 . 5.150 4.480 4.391 4.632 . 0 0 "[ . 1 . 2]" 1
223 1 10 GLU H 1 10 GLU QG 4.490 . 4.490 3.988 3.941 4.073 . 0 0 "[ . 1 . 2]" 1
224 1 10 GLU H 1 10 GLU HG3 5.150 . 5.150 4.476 4.397 4.554 . 0 0 "[ . 1 . 2]" 1
225 1 10 GLU H 1 11 MET H 3.890 . 3.890 2.674 2.480 2.794 . 0 0 "[ . 1 . 2]" 1
226 1 10 GLU H 1 11 MET HA 5.890 . 5.890 5.310 5.161 5.425 . 0 0 "[ . 1 . 2]" 1
227 1 10 GLU H 1 11 MET HB2 5.810 . 5.810 4.879 4.626 5.015 . 0 0 "[ . 1 . 2]" 1
228 1 10 GLU H 1 11 MET ME 5.890 . 5.890 4.904 4.580 5.540 . 0 0 "[ . 1 . 2]" 1
229 1 10 GLU H 1 11 MET QG 5.710 . 5.710 4.500 4.341 4.699 . 0 0 "[ . 1 . 2]" 1
230 1 10 GLU H 1 12 LYS QB 5.710 . 5.710 5.040 4.803 5.336 . 0 0 "[ . 1 . 2]" 1
231 1 10 GLU H 1 13 LYS H 5.890 . 5.890 4.899 4.677 5.103 . 0 0 "[ . 1 . 2]" 1
232 1 10 GLU H 1 13 LYS QB 5.890 . 5.890 5.525 4.578 5.973 0.083 7 0 "[ . 1 . 2]" 1
233 1 10 GLU H 1 13 LYS QD 5.710 . 5.710 4.734 4.003 5.784 0.074 3 0 "[ . 1 . 2]" 1
234 1 10 GLU H 1 13 LYS QE 5.890 . 5.890 4.850 3.765 6.054 0.164 5 0 "[ . 1 . 2]" 1
235 1 10 GLU HA 1 13 LYS H 5.320 . 5.320 3.786 3.276 4.091 . 0 0 "[ . 1 . 2]" 1
236 1 10 GLU HA 1 13 LYS QB 4.420 . 4.420 3.658 2.596 4.376 . 0 0 "[ . 1 . 2]" 1
237 1 10 GLU HA 1 13 LYS QD 4.960 . 4.960 2.562 1.878 3.469 . 0 0 "[ . 1 . 2]" 1
238 1 10 GLU HA 1 13 LYS QE 5.820 . 5.820 3.230 1.779 4.451 . 0 0 "[ . 1 . 2]" 1
239 1 10 GLU HA 1 13 LYS HG2 5.890 . 5.890 3.461 2.085 5.209 . 0 0 "[ . 1 . 2]" 1
240 1 10 GLU HA 1 13 LYS QG 5.150 . 5.150 2.846 2.064 4.726 . 0 0 "[ . 1 . 2]" 1
241 1 10 GLU HA 1 13 LYS HG3 5.890 . 5.890 3.575 3.000 5.609 . 0 0 "[ . 1 . 2]" 1
242 1 10 GLU HA 1 14 LYS H 5.360 . 5.360 4.568 4.074 5.098 . 0 0 "[ . 1 . 2]" 1
243 1 10 GLU QB 1 11 MET H 4.100 . 4.100 2.587 2.445 2.772 . 0 0 "[ . 1 . 2]" 1
244 1 10 GLU QB 1 11 MET QG 5.540 . 5.540 3.281 3.110 3.485 . 0 0 "[ . 1 . 2]" 1
245 1 10 GLU QB 1 13 LYS QD 5.540 . 5.540 4.211 3.625 5.151 . 0 0 "[ . 1 . 2]" 1
246 1 10 GLU QB 1 13 LYS QE 5.710 . 5.710 4.567 3.105 5.691 . 0 0 "[ . 1 . 2]" 1
247 1 10 GLU HB2 1 11 MET H 4.740 . 4.740 3.900 3.789 3.992 . 0 0 "[ . 1 . 2]" 1
248 1 10 GLU HB3 1 11 MET H 4.740 . 4.740 2.627 2.472 2.827 . 0 0 "[ . 1 . 2]" 1
249 1 10 GLU QG 1 11 MET ME 4.130 . 4.130 2.386 1.947 3.373 . 0 0 "[ . 1 . 2]" 1
250 1 10 GLU QG 1 13 LYS QD 5.540 . 5.540 3.924 2.973 5.637 0.097 6 0 "[ . 1 . 2]" 1
251 1 10 GLU QG 1 13 LYS QG 5.540 . 5.540 4.399 3.408 5.714 0.174 3 0 "[ . 1 . 2]" 1
252 1 10 GLU QG 1 14 LYS QB 5.090 . 5.090 4.008 3.012 5.143 0.053 8 0 "[ . 1 . 2]" 1
253 1 10 GLU QG 1 14 LYS QD 5.540 . 5.540 4.567 2.858 5.679 0.139 6 0 "[ . 1 . 2]" 1
254 1 10 GLU HG2 1 11 MET H 5.890 . 5.890 3.978 3.534 4.864 . 0 0 "[ . 1 . 2]" 1
255 1 10 GLU HG3 1 11 MET H 5.890 . 5.890 4.593 3.468 4.970 . 0 0 "[ . 1 . 2]" 1
256 1 11 MET H 1 11 MET HB2 3.980 . 3.980 2.468 2.417 2.526 . 0 0 "[ . 1 . 2]" 1
257 1 11 MET H 1 11 MET HB3 4.310 . 4.310 3.630 3.610 3.649 . 0 0 "[ . 1 . 2]" 1
258 1 11 MET H 1 11 MET ME 5.050 . 5.050 3.333 3.053 4.360 . 0 0 "[ . 1 . 2]" 1
259 1 11 MET H 1 11 MET HG2 4.610 . 4.610 2.536 2.394 2.690 . 0 0 "[ . 1 . 2]" 1
260 1 11 MET H 1 11 MET QG 3.860 . 3.860 2.502 2.369 2.643 . 0 0 "[ . 1 . 2]" 1
261 1 11 MET H 1 11 MET HG3 4.610 . 4.610 3.828 3.694 3.972 . 0 0 "[ . 1 . 2]" 1
262 1 11 MET H 1 12 LYS QG 5.710 . 5.710 4.432 4.147 4.686 . 0 0 "[ . 1 . 2]" 1
263 1 11 MET H 1 13 LYS H 5.670 . 5.670 4.220 3.942 4.552 . 0 0 "[ . 1 . 2]" 1
264 1 11 MET H 1 14 LYS QB 5.710 . 5.710 5.007 4.569 5.647 . 0 0 "[ . 1 . 2]" 1
265 1 11 MET H 1 20 VAL MG1 5.810 . 5.810 3.704 3.527 4.013 . 0 0 "[ . 1 . 2]" 1
266 1 11 MET H 1 20 VAL MG2 5.890 . 5.890 4.808 4.683 5.116 . 0 0 "[ . 1 . 2]" 1
267 1 11 MET H 1 29 VAL MG1 5.890 . 5.890 4.345 3.986 4.744 . 0 0 "[ . 1 . 2]" 1
268 1 11 MET H 1 29 VAL MG2 5.890 . 5.890 4.989 4.473 5.443 . 0 0 "[ . 1 . 2]" 1
269 1 11 MET HA 1 11 MET ME 4.620 . 4.620 2.140 1.790 3.881 . 0 0 "[ . 1 . 2]" 1
270 1 11 MET HA 1 13 LYS H 5.670 . 5.670 4.440 3.910 4.786 . 0 0 "[ . 1 . 2]" 1
271 1 11 MET HA 1 14 LYS H 4.710 . 4.710 3.511 2.937 3.885 . 0 0 "[ . 1 . 2]" 1
272 1 11 MET HA 1 14 LYS HB2 4.860 . 4.860 3.306 2.479 4.557 . 0 0 "[ . 1 . 2]" 1
273 1 11 MET HA 1 14 LYS QB 4.270 . 4.270 2.810 2.446 3.415 . 0 0 "[ . 1 . 2]" 1
274 1 11 MET HA 1 14 LYS HB3 4.860 . 4.860 3.546 2.662 4.951 0.091 11 0 "[ . 1 . 2]" 1
275 1 11 MET HA 1 15 PHE H 5.330 . 5.330 3.560 3.092 4.173 . 0 0 "[ . 1 . 2]" 1
276 1 11 MET HA 1 15 PHE QD 4.500 . 4.500 2.745 2.312 3.517 . 0 0 "[ . 1 . 2]" 1
277 1 11 MET HA 1 15 PHE QE 5.890 . 5.890 3.427 2.837 3.810 . 0 0 "[ . 1 . 2]" 1
278 1 11 MET HA 1 20 VAL MG1 5.530 . 5.530 4.128 3.940 4.332 . 0 0 "[ . 1 . 2]" 1
279 1 11 MET HB2 1 12 LYS H 4.520 . 4.520 3.000 2.706 3.160 . 0 0 "[ . 1 . 2]" 1
280 1 11 MET HB2 1 13 LYS H 5.890 . 5.890 5.340 5.094 5.566 . 0 0 "[ . 1 . 2]" 1
281 1 11 MET HB2 1 15 PHE H 5.890 . 5.890 5.488 5.235 5.694 . 0 0 "[ . 1 . 2]" 1
282 1 11 MET HB2 1 15 PHE QD 5.230 . 5.230 3.955 3.699 4.247 . 0 0 "[ . 1 . 2]" 1
283 1 11 MET HB2 1 20 VAL MG1 4.930 . 4.930 1.999 1.870 2.166 . 0 0 "[ . 1 . 2]" 1
284 1 11 MET HB2 1 20 VAL MG2 5.860 . 5.860 3.241 3.037 3.688 . 0 0 "[ . 1 . 2]" 1
285 1 11 MET HB2 1 29 VAL MG1 4.790 . 4.790 2.730 2.189 3.278 . 0 0 "[ . 1 . 2]" 1
286 1 11 MET HB2 1 29 VAL MG2 5.860 . 5.860 4.327 3.698 4.862 . 0 0 "[ . 1 . 2]" 1
287 1 11 MET HB2 1 31 VAL MG2 5.890 . 5.890 3.346 3.060 3.604 . 0 0 "[ . 1 . 2]" 1
288 1 11 MET HB3 1 15 PHE H 5.480 . 5.480 4.559 4.076 4.839 . 0 0 "[ . 1 . 2]" 1
289 1 11 MET HB3 1 15 PHE HB2 5.890 . 5.890 3.614 3.262 3.901 . 0 0 "[ . 1 . 2]" 1
290 1 11 MET HB3 1 15 PHE QD 4.500 . 4.500 2.316 2.000 2.628 . 0 0 "[ . 1 . 2]" 1
291 1 11 MET HB3 1 15 PHE QE 5.800 . 5.800 3.760 2.895 4.137 . 0 0 "[ . 1 . 2]" 1
292 1 11 MET HB3 1 20 VAL MG1 5.220 . 5.220 2.515 2.339 2.689 . 0 0 "[ . 1 . 2]" 1
293 1 11 MET HB3 1 20 VAL MG2 5.020 . 5.020 2.556 2.358 2.886 . 0 0 "[ . 1 . 2]" 1
294 1 11 MET HB3 1 29 VAL MG1 4.440 . 4.440 3.479 3.006 4.093 . 0 0 "[ . 1 . 2]" 1
295 1 11 MET HB3 1 31 VAL MG1 5.890 . 5.890 3.605 3.249 3.906 . 0 0 "[ . 1 . 2]" 1
296 1 11 MET HB3 1 31 VAL MG2 4.980 . 4.980 2.473 2.257 2.964 . 0 0 "[ . 1 . 2]" 1
297 1 11 MET HB3 1 38 TYR QE 5.390 . 5.390 4.422 4.004 4.760 . 0 0 "[ . 1 . 2]" 1
298 1 11 MET HB3 1 40 LEU MD1 5.890 . 5.890 4.752 4.051 5.698 . 0 0 "[ . 1 . 2]" 1
299 1 11 MET ME 1 15 PHE QD 5.340 . 5.340 3.665 3.336 4.830 . 0 0 "[ . 1 . 2]" 1
300 1 11 MET ME 1 15 PHE QE 4.890 . 4.890 2.600 2.306 3.256 . 0 0 "[ . 1 . 2]" 1
301 1 11 MET ME 1 15 PHE HZ 5.770 . 5.770 3.852 3.606 4.064 . 0 0 "[ . 1 . 2]" 1
302 1 11 MET ME 1 31 VAL MG1 5.890 . 5.890 5.388 5.134 5.918 0.028 16 0 "[ . 1 . 2]" 1
303 1 11 MET ME 1 31 VAL MG2 4.840 . 4.840 4.336 4.003 4.647 . 0 0 "[ . 1 . 2]" 1
304 1 11 MET ME 1 38 TYR QD 5.640 . 5.640 5.696 5.261 5.868 0.228 4 0 "[ . 1 . 2]" 1
305 1 11 MET ME 1 38 TYR QE 5.150 . 5.150 4.670 4.375 4.912 . 0 0 "[ . 1 . 2]" 1
306 1 11 MET ME 1 40 LEU HB2 5.650 . 5.650 4.656 4.268 5.063 . 0 0 "[ . 1 . 2]" 1
307 1 11 MET ME 1 40 LEU QB 4.980 . 4.980 4.184 3.868 4.540 . 0 0 "[ . 1 . 2]" 1
308 1 11 MET ME 1 40 LEU HB3 5.650 . 5.650 4.742 4.372 5.144 . 0 0 "[ . 1 . 2]" 1
309 1 11 MET ME 1 40 LEU MD1 4.720 . 4.720 3.902 3.512 4.439 . 0 0 "[ . 1 . 2]" 1
310 1 11 MET ME 1 40 LEU MD2 4.860 . 4.860 2.442 1.967 2.873 . 0 0 "[ . 1 . 2]" 1
311 1 11 MET QG 1 12 LYS H 5.110 . 5.110 4.353 4.230 4.468 . 0 0 "[ . 1 . 2]" 1
312 1 11 MET QG 1 29 VAL HB 5.710 . 5.710 3.347 2.772 4.513 . 0 0 "[ . 1 . 2]" 1
313 1 11 MET QG 1 29 VAL MG1 4.470 . 4.470 2.457 2.068 3.467 . 0 0 "[ . 1 . 2]" 1
314 1 11 MET QG 1 29 VAL MG2 4.730 . 4.730 3.575 3.193 4.232 . 0 0 "[ . 1 . 2]" 1
315 1 11 MET QG 1 31 VAL MG2 5.040 . 5.040 2.762 2.500 3.251 . 0 0 "[ . 1 . 2]" 1
316 1 11 MET QG 1 40 LEU QB 5.540 . 5.540 3.249 2.926 3.768 . 0 0 "[ . 1 . 2]" 1
317 1 11 MET QG 1 40 LEU MD1 5.620 . 5.620 3.464 2.420 4.373 . 0 0 "[ . 1 . 2]" 1
318 1 11 MET HG2 1 12 LYS H 5.830 . 5.830 4.636 4.483 4.766 . 0 0 "[ . 1 . 2]" 1
319 1 11 MET HG2 1 15 PHE QD 5.890 . 5.890 4.581 4.361 4.806 . 0 0 "[ . 1 . 2]" 1
320 1 11 MET HG2 1 15 PHE QE 5.890 . 5.890 4.527 4.214 4.743 . 0 0 "[ . 1 . 2]" 1
321 1 11 MET HG2 1 20 VAL MG1 5.890 . 5.890 3.998 3.854 4.206 . 0 0 "[ . 1 . 2]" 1
322 1 11 MET HG2 1 29 VAL MG2 5.380 . 5.380 4.177 3.811 4.830 . 0 0 "[ . 1 . 2]" 1
323 1 11 MET HG2 1 31 VAL MG2 5.890 . 5.890 4.090 3.833 4.620 . 0 0 "[ . 1 . 2]" 1
324 1 11 MET HG2 1 40 LEU MD2 5.890 . 5.890 3.395 2.773 3.935 . 0 0 "[ . 1 . 2]" 1
325 1 11 MET HG3 1 12 LYS H 5.830 . 5.830 5.282 5.075 5.456 . 0 0 "[ . 1 . 2]" 1
326 1 11 MET HG3 1 15 PHE QD 5.890 . 5.890 4.189 3.840 4.393 . 0 0 "[ . 1 . 2]" 1
327 1 11 MET HG3 1 15 PHE QE 5.890 . 5.890 4.344 3.042 4.816 . 0 0 "[ . 1 . 2]" 1
328 1 11 MET HG3 1 20 VAL MG1 5.890 . 5.890 3.329 3.059 3.752 . 0 0 "[ . 1 . 2]" 1
329 1 11 MET HG3 1 29 VAL MG2 5.380 . 5.380 3.890 3.417 4.753 . 0 0 "[ . 1 . 2]" 1
330 1 11 MET HG3 1 31 VAL MG2 5.890 . 5.890 2.809 2.532 3.321 . 0 0 "[ . 1 . 2]" 1
331 1 11 MET HG3 1 40 LEU MD2 5.890 . 5.890 3.253 2.375 3.893 . 0 0 "[ . 1 . 2]" 1
332 1 12 LYS H 1 12 LYS HB2 3.860 . 3.860 2.447 2.364 2.624 . 0 0 "[ . 1 . 2]" 1
333 1 12 LYS H 1 12 LYS HB3 3.860 . 3.860 3.643 3.595 3.691 . 0 0 "[ . 1 . 2]" 1
334 1 12 LYS H 1 12 LYS QD 5.410 . 5.410 4.230 3.704 4.585 . 0 0 "[ . 1 . 2]" 1
335 1 12 LYS H 1 12 LYS HE2 5.890 . 5.890 4.939 3.835 5.926 0.036 6 0 "[ . 1 . 2]" 1
336 1 12 LYS H 1 12 LYS HE3 5.890 . 5.890 4.831 4.013 5.886 . 0 0 "[ . 1 . 2]" 1
337 1 12 LYS H 1 12 LYS HG2 4.580 . 4.580 3.467 2.391 3.878 . 0 0 "[ . 1 . 2]" 1
338 1 12 LYS H 1 12 LYS QG 3.650 . 3.650 2.551 2.362 2.726 . 0 0 "[ . 1 . 2]" 1
339 1 12 LYS H 1 12 LYS HG3 4.580 . 4.580 2.807 2.454 3.798 . 0 0 "[ . 1 . 2]" 1
340 1 12 LYS H 1 13 LYS H 4.000 . 4.000 2.593 2.484 2.706 . 0 0 "[ . 1 . 2]" 1
341 1 12 LYS H 1 14 LYS H 5.770 . 5.770 4.020 3.790 4.199 . 0 0 "[ . 1 . 2]" 1
342 1 12 LYS H 1 20 VAL MG1 4.850 . 4.850 2.850 2.618 3.286 . 0 0 "[ . 1 . 2]" 1
343 1 12 LYS H 1 20 VAL MG2 4.990 . 4.990 3.580 3.346 3.801 . 0 0 "[ . 1 . 2]" 1
344 1 12 LYS H 1 29 VAL MG1 5.890 . 5.890 4.981 4.470 5.452 . 0 0 "[ . 1 . 2]" 1
345 1 12 LYS HA 1 12 LYS QD 4.890 . 4.890 3.852 2.196 4.283 . 0 0 "[ . 1 . 2]" 1
346 1 12 LYS HA 1 12 LYS QG 3.980 . 3.980 2.463 2.300 2.878 . 0 0 "[ . 1 . 2]" 1
347 1 12 LYS HA 1 15 PHE H 5.890 . 5.890 3.726 3.215 4.157 . 0 0 "[ . 1 . 2]" 1
348 1 12 LYS HA 1 15 PHE HB2 5.890 . 5.890 3.895 3.484 4.307 . 0 0 "[ . 1 . 2]" 1
349 1 12 LYS HA 1 15 PHE QD 5.890 . 5.890 4.986 4.283 5.561 . 0 0 "[ . 1 . 2]" 1
350 1 12 LYS HA 1 20 VAL H 5.890 . 5.890 4.785 4.287 5.631 . 0 0 "[ . 1 . 2]" 1
351 1 12 LYS HA 1 20 VAL MG1 4.890 . 4.890 3.275 2.846 3.662 . 0 0 "[ . 1 . 2]" 1
352 1 12 LYS HA 1 20 VAL MG2 3.890 . 3.890 2.295 2.047 2.722 . 0 0 "[ . 1 . 2]" 1
353 1 12 LYS QB 1 14 LYS H 5.710 . 5.710 4.647 4.415 4.920 . 0 0 "[ . 1 . 2]" 1
354 1 12 LYS QD 1 20 VAL H 5.860 . 5.860 5.166 3.550 5.861 0.001 12 0 "[ . 1 . 2]" 1
355 1 12 LYS QD 1 20 VAL MG1 5.800 . 5.800 3.565 2.673 3.947 . 0 0 "[ . 1 . 2]" 1
356 1 12 LYS QD 1 20 VAL MG2 5.890 . 5.890 4.467 2.687 4.835 . 0 0 "[ . 1 . 2]" 1
357 1 12 LYS QE 1 20 VAL HB 5.540 . 5.540 3.594 1.743 4.971 . 0 0 "[ . 1 . 2]" 1
358 1 12 LYS QE 1 20 VAL MG1 5.090 . 5.090 3.458 2.564 4.492 . 0 0 "[ . 1 . 2]" 1
359 1 12 LYS HE2 1 20 VAL MG1 5.890 . 5.890 4.064 2.591 5.266 . 0 0 "[ . 1 . 2]" 1
360 1 12 LYS HE3 1 20 VAL MG1 5.890 . 5.890 3.998 2.695 5.016 . 0 0 "[ . 1 . 2]" 1
361 1 12 LYS QG 1 13 LYS H 5.260 . 5.260 4.216 4.010 4.363 . 0 0 "[ . 1 . 2]" 1
362 1 12 LYS QG 1 15 PHE HB2 5.710 . 5.710 5.382 4.857 5.900 0.190 18 0 "[ . 1 . 2]" 1
363 1 12 LYS QG 1 20 VAL H 5.570 . 5.570 4.188 3.640 5.546 . 0 0 "[ . 1 . 2]" 1
364 1 12 LYS QG 1 20 VAL HB 4.460 . 4.460 2.234 1.732 3.400 . 0 0 "[ . 1 . 2]" 1
365 1 12 LYS QG 1 20 VAL MG1 4.210 . 4.210 2.210 2.049 2.642 . 0 0 "[ . 1 . 2]" 1
366 1 12 LYS QG 1 20 VAL MG2 4.500 . 4.500 3.072 2.630 3.596 . 0 0 "[ . 1 . 2]" 1
367 1 12 LYS QG 1 29 VAL MG1 5.710 . 5.710 4.450 3.950 4.986 . 0 0 "[ . 1 . 2]" 1
368 1 12 LYS HG2 1 20 VAL MG1 4.830 . 4.830 2.771 2.236 3.290 . 0 0 "[ . 1 . 2]" 1
369 1 12 LYS HG3 1 20 VAL MG1 4.830 . 4.830 2.587 2.087 4.133 . 0 0 "[ . 1 . 2]" 1
370 1 13 LYS H 1 13 LYS HD2 5.890 . 5.890 4.244 3.755 4.889 . 0 0 "[ . 1 . 2]" 1
371 1 13 LYS H 1 13 LYS HD3 5.890 . 5.890 4.618 3.902 5.928 0.038 3 0 "[ . 1 . 2]" 1
372 1 13 LYS H 1 13 LYS HG2 4.710 . 4.710 2.834 1.963 4.474 . 0 0 "[ . 1 . 2]" 1
373 1 13 LYS H 1 13 LYS QG 4.000 . 4.000 2.282 1.949 3.986 . 0 0 "[ . 1 . 2]" 1
374 1 13 LYS H 1 13 LYS HG3 4.710 . 4.710 3.028 1.993 4.473 . 0 0 "[ . 1 . 2]" 1
375 1 13 LYS H 1 14 LYS H 3.860 . 3.860 2.596 2.502 2.718 . 0 0 "[ . 1 . 2]" 1
376 1 13 LYS H 1 14 LYS QB 5.590 . 5.590 4.452 4.176 4.832 . 0 0 "[ . 1 . 2]" 1
377 1 13 LYS H 1 15 PHE H 5.560 . 5.560 4.248 3.883 4.658 . 0 0 "[ . 1 . 2]" 1
378 1 13 LYS H 1 20 VAL MG1 5.890 . 5.890 5.038 4.777 5.464 . 0 0 "[ . 1 . 2]" 1
379 1 13 LYS HA 1 13 LYS QD 5.060 . 5.060 4.348 4.081 4.608 . 0 0 "[ . 1 . 2]" 1
380 1 13 LYS HA 1 13 LYS QG 3.990 . 3.990 2.992 2.451 3.413 . 0 0 "[ . 1 . 2]" 1
381 1 13 LYS HA 1 16 LYS H 5.890 . 5.890 5.175 4.717 5.759 . 0 0 "[ . 1 . 2]" 1
382 1 13 LYS HA 1 16 LYS QG 5.710 . 5.710 5.222 4.075 5.760 0.050 19 0 "[ . 1 . 2]" 1
383 1 13 LYS QB 1 14 LYS H 4.020 . 4.020 3.199 2.409 3.732 . 0 0 "[ . 1 . 2]" 1
384 1 13 LYS QB 1 14 LYS HA 5.440 . 5.440 4.373 3.876 4.740 . 0 0 "[ . 1 . 2]" 1
385 1 13 LYS QB 1 15 PHE H 5.890 . 5.890 5.217 4.573 5.889 . 0 0 "[ . 1 . 2]" 1
386 1 14 LYS H 1 14 LYS HB2 4.020 . 4.020 2.458 2.160 2.796 . 0 0 "[ . 1 . 2]" 1
387 1 14 LYS H 1 14 LYS QB 3.520 . 3.520 2.321 2.139 2.479 . 0 0 "[ . 1 . 2]" 1
388 1 14 LYS H 1 14 LYS HB3 4.020 . 4.020 3.089 2.528 3.663 . 0 0 "[ . 1 . 2]" 1
389 1 14 LYS H 1 14 LYS QD 5.710 . 5.710 4.342 3.866 4.851 . 0 0 "[ . 1 . 2]" 1
390 1 14 LYS H 1 14 LYS HG2 5.300 . 5.300 4.010 2.336 4.541 . 0 0 "[ . 1 . 2]" 1
391 1 14 LYS H 1 14 LYS HG3 5.300 . 5.300 3.876 2.412 4.696 . 0 0 "[ . 1 . 2]" 1
392 1 14 LYS H 1 15 PHE H 3.930 . 3.930 2.444 2.172 2.876 . 0 0 "[ . 1 . 2]" 1
393 1 14 LYS H 1 15 PHE HB2 5.890 . 5.890 4.844 4.552 5.267 . 0 0 "[ . 1 . 2]" 1
394 1 14 LYS HA 1 14 LYS QD 4.700 . 4.700 3.475 2.148 4.295 . 0 0 "[ . 1 . 2]" 1
395 1 14 LYS HA 1 15 PHE QD 5.760 . 5.760 5.147 4.653 5.495 . 0 0 "[ . 1 . 2]" 1
396 1 14 LYS HA 1 16 LYS H 5.870 . 5.870 4.509 4.078 4.884 . 0 0 "[ . 1 . 2]" 1
397 1 14 LYS QB 1 14 LYS QD 3.410 . 3.410 2.281 2.155 2.454 . 0 0 "[ . 1 . 2]" 1
398 1 14 LYS QB 1 15 PHE H 3.930 . 3.930 2.373 1.952 2.879 . 0 0 "[ . 1 . 2]" 1
399 1 14 LYS QB 1 15 PHE HB2 5.710 . 5.710 4.039 3.668 4.260 . 0 0 "[ . 1 . 2]" 1
400 1 14 LYS QB 1 15 PHE QD 4.150 . 4.150 3.187 2.880 3.468 . 0 0 "[ . 1 . 2]" 1
401 1 14 LYS QB 1 15 PHE QE 5.110 . 5.110 3.423 2.873 3.882 . 0 0 "[ . 1 . 2]" 1
402 1 14 LYS HB2 1 15 PHE H 4.600 . 4.600 3.091 2.039 4.014 . 0 0 "[ . 1 . 2]" 1
403 1 14 LYS HB2 1 15 PHE QD 4.780 . 4.780 4.207 3.132 4.931 0.151 9 0 "[ . 1 . 2]" 1
404 1 14 LYS HB2 1 15 PHE QE 5.890 . 5.890 4.416 3.415 5.244 . 0 0 "[ . 1 . 2]" 1
405 1 14 LYS HB3 1 15 PHE H 4.600 . 4.600 2.815 1.968 3.831 . 0 0 "[ . 1 . 2]" 1
406 1 14 LYS HB3 1 15 PHE QD 4.780 . 4.780 3.427 3.120 3.734 . 0 0 "[ . 1 . 2]" 1
407 1 14 LYS HB3 1 15 PHE QE 5.890 . 5.890 3.606 3.067 4.005 . 0 0 "[ . 1 . 2]" 1
408 1 14 LYS QD 1 15 PHE QE 4.710 . 4.710 3.016 2.617 3.941 . 0 0 "[ . 1 . 2]" 1
409 1 14 LYS QD 1 15 PHE HZ 5.180 . 5.180 3.230 2.729 4.083 . 0 0 "[ . 1 . 2]" 1
410 1 14 LYS HD2 1 15 PHE QD 5.890 . 5.890 4.298 3.130 6.236 0.346 12 0 "[ . 1 . 2]" 1
411 1 14 LYS HD2 1 15 PHE HZ 5.890 . 5.890 3.813 2.936 5.302 . 0 0 "[ . 1 . 2]" 1
412 1 14 LYS HD3 1 15 PHE QD 5.890 . 5.890 4.439 3.679 5.205 . 0 0 "[ . 1 . 2]" 1
413 1 14 LYS HD3 1 15 PHE HZ 5.890 . 5.890 4.060 2.756 5.831 . 0 0 "[ . 1 . 2]" 1
414 1 14 LYS QE 1 15 PHE HZ 5.710 . 5.710 4.249 2.546 5.589 . 0 0 "[ . 1 . 2]" 1
415 1 14 LYS HE2 1 15 PHE QE 5.890 . 5.890 4.604 2.754 5.457 . 0 0 "[ . 1 . 2]" 1
416 1 14 LYS HE3 1 15 PHE QE 5.890 . 5.890 4.600 2.875 6.096 0.206 12 0 "[ . 1 . 2]" 1
417 1 14 LYS QG 1 15 PHE H 5.060 . 5.060 4.057 3.350 4.690 . 0 0 "[ . 1 . 2]" 1
418 1 14 LYS HG2 1 15 PHE H 5.890 . 5.890 4.630 3.459 5.222 . 0 0 "[ . 1 . 2]" 1
419 1 14 LYS HG2 1 15 PHE QD 5.890 . 5.890 5.140 3.155 5.675 . 0 0 "[ . 1 . 2]" 1
420 1 14 LYS HG3 1 15 PHE H 5.890 . 5.890 4.600 3.944 5.448 . 0 0 "[ . 1 . 2]" 1
421 1 14 LYS HG3 1 15 PHE QD 5.890 . 5.890 5.024 4.473 5.543 . 0 0 "[ . 1 . 2]" 1
422 1 15 PHE H 1 15 PHE HB2 4.040 . 4.040 2.637 2.501 2.859 . 0 0 "[ . 1 . 2]" 1
423 1 15 PHE H 1 15 PHE QD 4.300 . 4.300 3.252 2.781 3.556 . 0 0 "[ . 1 . 2]" 1
424 1 15 PHE H 1 15 PHE QE 5.890 . 5.890 4.719 4.423 5.156 . 0 0 "[ . 1 . 2]" 1
425 1 15 PHE H 1 16 LYS H 4.770 . 4.770 3.384 2.989 3.697 . 0 0 "[ . 1 . 2]" 1
426 1 15 PHE H 1 16 LYS HA 5.890 . 5.890 4.690 4.303 5.062 . 0 0 "[ . 1 . 2]" 1
427 1 15 PHE H 1 16 LYS QB 5.890 . 5.890 4.864 4.400 5.264 . 0 0 "[ . 1 . 2]" 1
428 1 15 PHE H 1 18 CYS HB2 5.890 . 5.890 5.181 5.009 5.422 . 0 0 "[ . 1 . 2]" 1
429 1 15 PHE H 1 20 VAL MG1 5.890 . 5.890 5.199 4.831 5.547 . 0 0 "[ . 1 . 2]" 1
430 1 15 PHE H 1 20 VAL MG2 5.190 . 5.190 3.619 3.452 3.871 . 0 0 "[ . 1 . 2]" 1
431 1 15 PHE H 1 31 VAL MG1 5.890 . 5.890 5.048 4.793 5.404 . 0 0 "[ . 1 . 2]" 1
432 1 15 PHE HA 1 15 PHE QD 4.130 . 4.130 2.451 2.236 2.773 . 0 0 "[ . 1 . 2]" 1
433 1 15 PHE HA 1 15 PHE QE 5.890 . 5.890 4.605 4.501 4.756 . 0 0 "[ . 1 . 2]" 1
434 1 15 PHE HA 1 16 LYS HA 5.890 . 5.890 4.644 4.561 4.740 . 0 0 "[ . 1 . 2]" 1
435 1 15 PHE HA 1 17 ASN H 4.590 . 4.590 3.282 2.936 3.885 . 0 0 "[ . 1 . 2]" 1
436 1 15 PHE HA 1 18 CYS H 5.250 . 5.250 3.832 3.236 4.421 . 0 0 "[ . 1 . 2]" 1
437 1 15 PHE HA 1 18 CYS HB2 5.890 . 5.890 3.881 3.381 4.317 . 0 0 "[ . 1 . 2]" 1
438 1 15 PHE HB2 1 16 LYS H 5.890 . 5.890 4.408 4.269 4.498 . 0 0 "[ . 1 . 2]" 1
439 1 15 PHE HB2 1 18 CYS H 5.820 . 5.820 4.259 3.909 4.597 . 0 0 "[ . 1 . 2]" 1
440 1 15 PHE HB2 1 18 CYS HA 5.890 . 5.890 5.852 5.673 5.963 0.073 2 0 "[ . 1 . 2]" 1
441 1 15 PHE HB2 1 18 CYS HB2 4.830 . 4.830 2.895 2.657 3.009 . 0 0 "[ . 1 . 2]" 1
442 1 15 PHE HB2 1 20 VAL MG2 4.310 . 4.310 2.245 2.066 2.395 . 0 0 "[ . 1 . 2]" 1
443 1 15 PHE HB2 1 31 VAL MG1 4.870 . 4.870 2.916 2.732 3.171 . 0 0 "[ . 1 . 2]" 1
444 1 15 PHE HB2 1 31 VAL MG2 5.890 . 5.890 3.969 3.639 4.267 . 0 0 "[ . 1 . 2]" 1
445 1 15 PHE HB3 1 16 LYS H 5.740 . 5.740 4.404 4.291 4.570 . 0 0 "[ . 1 . 2]" 1
446 1 15 PHE HB3 1 18 CYS H 5.110 . 5.110 3.413 2.853 3.984 . 0 0 "[ . 1 . 2]" 1
447 1 15 PHE HB3 1 18 CYS HB2 4.520 . 4.520 1.886 1.638 2.168 . 0 0 "[ . 1 . 2]" 1
448 1 15 PHE HB3 1 18 CYS HB3 4.750 . 4.750 3.362 3.051 3.766 . 0 0 "[ . 1 . 2]" 1
449 1 15 PHE HB3 1 20 VAL HB 5.890 . 5.890 6.029 5.917 6.196 0.306 7 0 "[ . 1 . 2]" 1
450 1 15 PHE HB3 1 20 VAL MG2 4.580 . 4.580 3.195 3.107 3.343 . 0 0 "[ . 1 . 2]" 1
451 1 15 PHE HB3 1 31 VAL MG1 4.740 . 4.740 2.879 2.493 3.206 . 0 0 "[ . 1 . 2]" 1
452 1 15 PHE HB3 1 31 VAL MG2 5.890 . 5.890 4.642 4.223 4.995 . 0 0 "[ . 1 . 2]" 1
453 1 15 PHE QD 1 18 CYS H 5.890 . 5.890 5.154 4.705 5.715 . 0 0 "[ . 1 . 2]" 1
454 1 15 PHE QD 1 18 CYS HB2 5.280 . 5.280 4.061 3.827 4.226 . 0 0 "[ . 1 . 2]" 1
455 1 15 PHE QD 1 18 CYS HB3 5.890 . 5.890 5.026 4.863 5.315 . 0 0 "[ . 1 . 2]" 1
456 1 15 PHE QD 1 20 VAL MG1 5.670 . 5.670 4.118 3.528 4.347 . 0 0 "[ . 1 . 2]" 1
457 1 15 PHE QD 1 20 VAL MG2 4.330 . 4.330 2.957 2.497 3.283 . 0 0 "[ . 1 . 2]" 1
458 1 15 PHE QD 1 29 VAL MG1 5.890 . 5.890 5.177 4.778 5.436 . 0 0 "[ . 1 . 2]" 1
459 1 15 PHE QD 1 31 VAL MG1 4.300 . 4.300 2.909 2.445 3.398 . 0 0 "[ . 1 . 2]" 1
460 1 15 PHE QD 1 31 VAL MG2 4.310 . 4.310 2.943 2.287 3.528 . 0 0 "[ . 1 . 2]" 1
461 1 15 PHE QD 1 40 LEU MD1 5.890 . 5.890 4.820 4.107 5.268 . 0 0 "[ . 1 . 2]" 1
462 1 15 PHE QE 1 29 VAL MG1 5.890 . 5.890 5.878 5.565 6.037 0.147 13 0 "[ . 1 . 2]" 1
463 1 15 PHE QE 1 31 VAL MG1 5.390 . 5.390 4.090 3.731 4.429 . 0 0 "[ . 1 . 2]" 1
464 1 15 PHE QE 1 31 VAL MG2 4.930 . 4.930 3.657 3.105 4.277 . 0 0 "[ . 1 . 2]" 1
465 1 15 PHE QE 1 38 TYR QE 4.890 . 4.890 2.931 2.509 3.446 . 0 0 "[ . 1 . 2]" 1
466 1 15 PHE QE 1 40 LEU MD1 4.540 . 4.540 3.792 3.161 4.109 . 0 0 "[ . 1 . 2]" 1
467 1 15 PHE QE 1 40 LEU MD2 5.860 . 5.860 3.637 3.206 4.209 . 0 0 "[ . 1 . 2]" 1
468 1 15 PHE HZ 1 31 VAL MG1 5.890 . 5.890 5.309 5.098 5.525 . 0 0 "[ . 1 . 2]" 1
469 1 15 PHE HZ 1 31 VAL MG2 5.780 . 5.780 5.444 5.094 5.819 0.039 15 0 "[ . 1 . 2]" 1
470 1 15 PHE HZ 1 40 LEU MD1 4.870 . 4.870 4.845 4.381 5.020 0.150 15 0 "[ . 1 . 2]" 1
471 1 15 PHE HZ 1 40 LEU MD2 5.890 . 5.890 4.792 4.364 5.294 . 0 0 "[ . 1 . 2]" 1
472 1 16 LYS H 1 16 LYS QB 3.600 . 3.600 2.582 2.172 2.915 . 0 0 "[ . 1 . 2]" 1
473 1 16 LYS H 1 16 LYS QD 5.260 . 5.260 3.856 2.606 4.398 . 0 0 "[ . 1 . 2]" 1
474 1 16 LYS H 1 16 LYS QE 5.890 . 5.890 4.488 3.378 6.049 0.159 20 0 "[ . 1 . 2]" 1
475 1 16 LYS H 1 16 LYS HG2 4.780 . 4.780 2.473 1.812 4.426 . 0 0 "[ . 1 . 2]" 1
476 1 16 LYS H 1 16 LYS QG 4.180 . 4.180 2.188 1.760 3.982 . 0 0 "[ . 1 . 2]" 1
477 1 16 LYS H 1 16 LYS HG3 4.780 . 4.780 3.073 1.766 4.517 . 0 0 "[ . 1 . 2]" 1
478 1 16 LYS H 1 17 ASN H 4.340 . 4.340 2.651 2.505 3.325 . 0 0 "[ . 1 . 2]" 1
479 1 16 LYS H 1 18 CYS H 5.890 . 5.890 4.104 3.726 4.412 . 0 0 "[ . 1 . 2]" 1
480 1 16 LYS HA 1 16 LYS QD 4.990 . 4.990 4.368 3.966 4.640 . 0 0 "[ . 1 . 2]" 1
481 1 16 LYS HA 1 16 LYS QE 5.750 . 5.750 4.922 4.174 5.803 0.053 18 0 "[ . 1 . 2]" 1
482 1 16 LYS HA 1 17 ASN HA 5.890 . 5.890 4.717 4.409 4.828 . 0 0 "[ . 1 . 2]" 1
483 1 16 LYS HA 1 18 CYS H 5.000 . 5.000 3.883 3.280 4.645 . 0 0 "[ . 1 . 2]" 1
484 1 16 LYS QB 1 17 ASN H 4.420 . 4.420 3.570 2.561 4.007 . 0 0 "[ . 1 . 2]" 1
485 1 16 LYS QB 1 17 ASN HD21 5.890 . 5.890 5.182 4.155 5.982 0.092 19 0 "[ . 1 . 2]" 1
486 1 16 LYS QB 1 17 ASN HD22 5.890 . 5.890 5.170 4.263 5.911 0.021 11 0 "[ . 1 . 2]" 1
487 1 16 LYS QB 1 18 CYS H 5.890 . 5.890 4.900 4.406 5.532 . 0 0 "[ . 1 . 2]" 1
488 1 16 LYS QD 1 17 ASN H 5.850 . 5.850 4.396 2.477 5.236 . 0 0 "[ . 1 . 2]" 1
489 1 16 LYS QD 1 17 ASN QD 5.710 . 5.710 3.722 2.125 4.928 . 0 0 "[ . 1 . 2]" 1
490 1 16 LYS QE 1 17 ASN QD 5.470 . 5.470 3.900 2.229 5.494 0.024 16 0 "[ . 1 . 2]" 1
491 1 16 LYS QG 1 17 ASN H 4.520 . 4.520 2.807 2.132 4.581 0.061 10 0 "[ . 1 . 2]" 1
492 1 16 LYS QG 1 17 ASN QD 5.070 . 5.070 3.189 1.943 4.850 . 0 0 "[ . 1 . 2]" 1
493 1 16 LYS QG 1 18 CYS H 5.710 . 5.710 4.670 4.283 5.695 . 0 0 "[ . 1 . 2]" 1
494 1 17 ASN H 1 17 ASN HB2 4.330 . 4.330 2.621 2.427 4.061 . 0 0 "[ . 1 . 2]" 1
495 1 17 ASN H 1 17 ASN QB 3.780 . 3.780 2.503 2.393 3.353 . 0 0 "[ . 1 . 2]" 1
496 1 17 ASN H 1 17 ASN HB3 4.330 . 4.330 3.612 2.720 3.732 . 0 0 "[ . 1 . 2]" 1
497 1 17 ASN H 1 17 ASN HD21 5.890 . 5.890 3.417 1.903 4.933 . 0 0 "[ . 1 . 2]" 1
498 1 17 ASN H 1 17 ASN HD22 5.890 . 5.890 4.201 3.010 5.070 . 0 0 "[ . 1 . 2]" 1
499 1 17 ASN H 1 18 CYS H 3.910 . 3.910 2.418 1.869 2.747 . 0 0 "[ . 1 . 2]" 1
500 1 17 ASN H 1 18 CYS HB2 5.890 . 5.890 4.438 3.836 4.631 . 0 0 "[ . 1 . 2]" 1
501 1 17 ASN H 1 18 CYS HB3 5.890 . 5.890 5.787 5.196 5.960 0.070 16 0 "[ . 1 . 2]" 1
502 1 17 ASN HB2 1 18 CYS H 5.820 . 5.820 3.556 2.484 4.105 . 0 0 "[ . 1 . 2]" 1
503 1 17 ASN HB3 1 18 CYS H 5.820 . 5.820 4.216 3.502 4.486 . 0 0 "[ . 1 . 2]" 1
504 1 18 CYS CB 1 33 CYS SG 3.320 . 3.320 3.061 3.000 3.103 . 0 0 "[ . 1 . 2]" 1
505 1 18 CYS H 1 18 CYS HB2 4.150 . 4.150 2.575 2.431 2.844 . 0 0 "[ . 1 . 2]" 1
506 1 18 CYS H 1 19 GLU H 5.490 . 5.490 4.528 4.396 4.652 . 0 0 "[ . 1 . 2]" 1
507 1 18 CYS H 1 20 VAL MG2 5.510 . 5.510 3.919 3.634 4.439 . 0 0 "[ . 1 . 2]" 1
508 1 18 CYS H 1 31 VAL MG1 5.790 . 5.790 4.607 4.467 4.923 . 0 0 "[ . 1 . 2]" 1
509 1 18 CYS HA 1 19 GLU H 3.720 . 3.720 2.315 2.240 2.421 . 0 0 "[ . 1 . 2]" 1
510 1 18 CYS HA 1 19 GLU HB3 5.550 . 5.550 4.830 4.670 5.047 . 0 0 "[ . 1 . 2]" 1
511 1 18 CYS HA 1 31 VAL MG1 5.890 . 5.890 4.229 4.027 4.681 . 0 0 "[ . 1 . 2]" 1
512 1 18 CYS HA 1 33 CYS HB3 5.890 . 5.890 4.247 3.507 4.884 . 0 0 "[ . 1 . 2]" 1
513 1 18 CYS HB2 1 19 GLU H 4.430 . 4.430 3.859 3.593 4.035 . 0 0 "[ . 1 . 2]" 1
514 1 18 CYS HB2 1 20 VAL H 5.890 . 5.890 4.536 4.257 4.936 . 0 0 "[ . 1 . 2]" 1
515 1 18 CYS HB2 1 20 VAL MG2 4.870 . 4.870 2.875 2.640 3.305 . 0 0 "[ . 1 . 2]" 1
516 1 18 CYS HB2 1 31 VAL MG1 4.450 . 4.450 2.584 2.424 2.904 . 0 0 "[ . 1 . 2]" 1
517 1 18 CYS HB2 1 32 ARG H 5.890 . 5.890 5.471 4.348 5.932 0.042 12 0 "[ . 1 . 2]" 1
518 1 18 CYS HB2 1 33 CYS HA 5.200 . 5.200 4.068 3.651 4.734 . 0 0 "[ . 1 . 2]" 1
519 1 18 CYS HB3 1 19 GLU H 3.870 . 3.870 2.781 2.433 3.043 . 0 0 "[ . 1 . 2]" 1
520 1 18 CYS HB3 1 19 GLU HA 5.890 . 5.890 4.928 4.655 5.194 . 0 0 "[ . 1 . 2]" 1
521 1 18 CYS HB3 1 20 VAL MG2 5.230 . 5.230 3.616 3.247 4.059 . 0 0 "[ . 1 . 2]" 1
522 1 18 CYS HB3 1 31 VAL HA 5.890 . 5.890 4.525 4.162 5.159 . 0 0 "[ . 1 . 2]" 1
523 1 18 CYS HB3 1 31 VAL MG1 4.330 . 4.330 2.226 2.023 2.738 . 0 0 "[ . 1 . 2]" 1
524 1 18 CYS HB3 1 31 VAL MG2 5.890 . 5.890 4.820 4.624 5.341 . 0 0 "[ . 1 . 2]" 1
525 1 18 CYS HB3 1 32 ARG H 5.360 . 5.360 4.235 3.122 4.864 . 0 0 "[ . 1 . 2]" 1
526 1 18 CYS HB3 1 32 ARG HA 5.890 . 5.890 5.010 4.545 5.364 . 0 0 "[ . 1 . 2]" 1
527 1 18 CYS HB3 1 33 CYS H 5.890 . 5.890 3.770 3.396 4.603 . 0 0 "[ . 1 . 2]" 1
528 1 18 CYS HB3 1 33 CYS HA 4.730 . 4.730 2.625 2.090 3.314 . 0 0 "[ . 1 . 2]" 1
529 1 18 CYS HB3 1 33 CYS HB3 5.890 . 5.890 4.069 3.837 4.459 . 0 0 "[ . 1 . 2]" 1
530 1 18 CYS HB3 1 34 SER H 5.890 . 5.890 5.502 5.242 5.768 . 0 0 "[ . 1 . 2]" 1
531 1 18 CYS HB3 1 38 TYR QE 5.890 . 5.890 4.818 4.242 5.294 . 0 0 "[ . 1 . 2]" 1
532 1 18 CYS SG 1 33 CYS CB 3.320 . 3.320 3.043 3.014 3.075 . 0 0 "[ . 1 . 2]" 1
533 1 18 CYS SG 1 33 CYS SG 2.250 . 2.250 2.034 2.021 2.041 . 0 0 "[ . 1 . 2]" 1
534 1 19 GLU H 1 19 GLU HB2 4.240 . 4.240 2.637 2.533 2.756 . 0 0 "[ . 1 . 2]" 1
535 1 19 GLU H 1 19 GLU HB3 4.020 . 4.020 2.563 2.454 2.696 . 0 0 "[ . 1 . 2]" 1
536 1 19 GLU H 1 19 GLU HG2 5.620 . 5.620 4.524 4.434 4.700 . 0 0 "[ . 1 . 2]" 1
537 1 19 GLU H 1 19 GLU QG 4.760 . 4.760 4.045 4.013 4.086 . 0 0 "[ . 1 . 2]" 1
538 1 19 GLU H 1 19 GLU HG3 5.620 . 5.620 4.561 4.456 4.634 . 0 0 "[ . 1 . 2]" 1
539 1 19 GLU H 1 20 VAL H 5.160 . 5.160 3.996 3.914 4.140 . 0 0 "[ . 1 . 2]" 1
540 1 19 GLU H 1 20 VAL MG2 5.520 . 5.520 4.347 4.181 4.570 . 0 0 "[ . 1 . 2]" 1
541 1 19 GLU H 1 31 VAL MG1 5.260 . 5.260 3.787 3.561 3.976 . 0 0 "[ . 1 . 2]" 1
542 1 19 GLU H 1 31 VAL MG2 5.890 . 5.890 5.959 5.753 6.126 0.236 12 0 "[ . 1 . 2]" 1
543 1 19 GLU H 1 32 ARG H 4.710 . 4.710 3.600 2.859 4.195 . 0 0 "[ . 1 . 2]" 1
544 1 19 GLU H 1 32 ARG HA 5.890 . 5.890 4.820 4.550 4.993 . 0 0 "[ . 1 . 2]" 1
545 1 19 GLU H 1 32 ARG HB2 5.410 . 5.410 5.185 3.822 5.554 0.144 20 0 "[ . 1 . 2]" 1
546 1 19 GLU H 1 32 ARG QB 4.740 . 4.740 3.717 3.245 4.078 . 0 0 "[ . 1 . 2]" 1
547 1 19 GLU H 1 32 ARG HB3 5.410 . 5.410 3.835 3.297 4.307 . 0 0 "[ . 1 . 2]" 1
548 1 19 GLU H 1 32 ARG QG 5.710 . 5.710 4.602 4.157 5.577 . 0 0 "[ . 1 . 2]" 1
549 1 19 GLU H 1 33 CYS HA 5.160 . 5.160 2.698 2.131 3.516 . 0 0 "[ . 1 . 2]" 1
550 1 19 GLU H 1 33 CYS HB2 5.890 . 5.890 5.118 3.906 5.980 0.090 16 0 "[ . 1 . 2]" 1
551 1 19 GLU HA 1 20 VAL H 3.480 . 3.480 2.267 2.216 2.355 . 0 0 "[ . 1 . 2]" 1
552 1 19 GLU HA 1 20 VAL HB 5.110 . 5.110 4.674 4.593 4.806 . 0 0 "[ . 1 . 2]" 1
553 1 19 GLU HB2 1 20 VAL H 5.770 . 5.770 4.607 4.560 4.679 . 0 0 "[ . 1 . 2]" 1
554 1 19 GLU HB2 1 31 VAL MG1 5.890 . 5.890 5.668 5.410 5.873 . 0 0 "[ . 1 . 2]" 1
555 1 19 GLU HB2 1 32 ARG H 5.890 . 5.890 4.575 4.224 5.133 . 0 0 "[ . 1 . 2]" 1
556 1 19 GLU HB2 1 32 ARG QB 5.240 . 5.240 3.517 3.101 3.877 . 0 0 "[ . 1 . 2]" 1
557 1 19 GLU HB2 1 32 ARG QD 5.710 . 5.710 4.432 3.736 5.648 . 0 0 "[ . 1 . 2]" 1
558 1 19 GLU HB2 1 32 ARG HG2 5.890 . 5.890 4.737 4.257 6.006 0.116 2 0 "[ . 1 . 2]" 1
559 1 19 GLU HB2 1 32 ARG HG3 5.890 . 5.890 6.031 5.837 6.205 0.315 15 0 "[ . 1 . 2]" 1
560 1 19 GLU HB3 1 20 VAL H 5.030 . 5.030 4.463 4.430 4.527 . 0 0 "[ . 1 . 2]" 1
561 1 19 GLU HB3 1 21 ARG QG 5.710 . 5.710 4.149 3.704 5.839 0.129 8 0 "[ . 1 . 2]" 1
562 1 19 GLU HB3 1 32 ARG H 5.890 . 5.890 2.963 2.557 3.462 . 0 0 "[ . 1 . 2]" 1
563 1 19 GLU HB3 1 32 ARG QB 5.140 . 5.140 2.017 1.711 2.279 . 0 0 "[ . 1 . 2]" 1
564 1 19 GLU HB3 1 32 ARG QD 5.710 . 5.710 3.674 3.208 4.857 . 0 0 "[ . 1 . 2]" 1
565 1 19 GLU HB3 1 32 ARG HG2 5.890 . 5.890 3.824 3.185 4.834 . 0 0 "[ . 1 . 2]" 1
566 1 19 GLU HB3 1 32 ARG HG3 5.890 . 5.890 4.808 4.495 5.036 . 0 0 "[ . 1 . 2]" 1
567 1 19 GLU QG 1 20 VAL H 4.760 . 4.760 3.765 3.585 4.094 . 0 0 "[ . 1 . 2]" 1
568 1 19 GLU QG 1 21 ARG HE 5.710 . 5.710 3.491 2.382 5.655 . 0 0 "[ . 1 . 2]" 1
569 1 19 GLU QG 1 21 ARG QG 5.540 . 5.540 2.641 1.994 4.464 . 0 0 "[ . 1 . 2]" 1
570 1 19 GLU QG 1 32 ARG H 5.710 . 5.710 4.009 3.685 4.291 . 0 0 "[ . 1 . 2]" 1
571 1 19 GLU HG2 1 20 VAL H 5.530 . 5.530 4.191 3.936 5.562 0.032 16 0 "[ . 1 . 2]" 1
572 1 19 GLU HG3 1 20 VAL H 5.530 . 5.530 4.320 4.127 4.719 . 0 0 "[ . 1 . 2]" 1
573 1 20 VAL H 1 20 VAL HB 3.840 . 3.840 2.459 2.397 2.549 . 0 0 "[ . 1 . 2]" 1
574 1 20 VAL H 1 20 VAL MG2 4.150 . 4.150 2.281 2.168 2.401 . 0 0 "[ . 1 . 2]" 1
575 1 20 VAL H 1 21 ARG H 5.890 . 5.890 4.379 4.292 4.521 . 0 0 "[ . 1 . 2]" 1
576 1 20 VAL H 1 32 ARG H 5.890 . 5.890 4.721 4.278 4.968 . 0 0 "[ . 1 . 2]" 1
577 1 20 VAL HA 1 21 ARG H 3.630 . 3.630 2.200 2.158 2.268 . 0 0 "[ . 1 . 2]" 1
578 1 20 VAL HA 1 21 ARG QB 5.710 . 5.710 4.488 4.410 4.615 . 0 0 "[ . 1 . 2]" 1
579 1 20 VAL HA 1 29 VAL MG1 5.400 . 5.400 3.568 3.358 3.755 . 0 0 "[ . 1 . 2]" 1
580 1 20 VAL HA 1 31 VAL HA 4.330 . 4.330 2.111 1.988 2.244 . 0 0 "[ . 1 . 2]" 1
581 1 20 VAL HA 1 31 VAL MG1 5.490 . 5.490 2.772 2.494 3.088 . 0 0 "[ . 1 . 2]" 1
582 1 20 VAL HA 1 31 VAL MG2 5.210 . 5.210 2.544 2.241 2.779 . 0 0 "[ . 1 . 2]" 1
583 1 20 VAL HA 1 32 ARG H 5.340 . 5.340 3.588 3.352 3.875 . 0 0 "[ . 1 . 2]" 1
584 1 20 VAL HA 1 38 TYR QE 5.890 . 5.890 6.192 6.006 6.297 0.407 1 0 "[ . 1 . 2]" 1
585 1 20 VAL HB 1 21 ARG H 5.490 . 5.490 4.388 4.292 4.459 . 0 0 "[ . 1 . 2]" 1
586 1 20 VAL HB 1 31 VAL HA 5.890 . 5.890 5.072 4.937 5.195 . 0 0 "[ . 1 . 2]" 1
587 1 20 VAL HB 1 31 VAL MG1 5.890 . 5.890 4.278 4.165 4.436 . 0 0 "[ . 1 . 2]" 1
588 1 20 VAL MG1 1 21 ARG H 4.390 . 4.390 3.117 2.891 3.267 . 0 0 "[ . 1 . 2]" 1
589 1 20 VAL MG1 1 22 CYS H 5.770 . 5.770 4.036 3.697 4.461 . 0 0 "[ . 1 . 2]" 1
590 1 20 VAL MG1 1 22 CYS QB 5.710 . 5.710 4.682 3.179 5.254 . 0 0 "[ . 1 . 2]" 1
591 1 20 VAL MG1 1 29 VAL MG1 3.680 . 3.680 2.118 1.990 2.336 . 0 0 "[ . 1 . 2]" 1
592 1 20 VAL MG1 1 30 GLU H 5.890 . 5.890 4.954 4.649 5.400 . 0 0 "[ . 1 . 2]" 1
593 1 20 VAL MG1 1 31 VAL H 5.890 . 5.890 5.051 4.766 5.242 . 0 0 "[ . 1 . 2]" 1
594 1 20 VAL MG1 1 31 VAL HA 5.890 . 5.890 3.808 3.541 4.050 . 0 0 "[ . 1 . 2]" 1
595 1 20 VAL MG1 1 31 VAL MG1 5.260 . 5.260 3.514 3.260 3.752 . 0 0 "[ . 1 . 2]" 1
596 1 20 VAL MG1 1 31 VAL MG2 4.100 . 4.100 2.128 1.831 2.452 . 0 0 "[ . 1 . 2]" 1
597 1 20 VAL MG1 1 32 ARG H 5.890 . 5.890 5.427 5.162 5.669 . 0 0 "[ . 1 . 2]" 1
598 1 20 VAL MG2 1 21 ARG H 4.630 . 4.630 4.225 4.162 4.360 . 0 0 "[ . 1 . 2]" 1
599 1 20 VAL MG2 1 31 VAL H 5.590 . 5.590 5.211 4.961 5.392 . 0 0 "[ . 1 . 2]" 1
600 1 20 VAL MG2 1 31 VAL HA 4.350 . 4.350 3.338 3.100 3.548 . 0 0 "[ . 1 . 2]" 1
601 1 20 VAL MG2 1 31 VAL HB 5.890 . 5.890 4.097 3.946 4.249 . 0 0 "[ . 1 . 2]" 1
602 1 20 VAL MG2 1 31 VAL MG1 3.990 . 3.990 1.858 1.711 2.034 . 0 0 "[ . 1 . 2]" 1
603 1 20 VAL MG2 1 31 VAL MG2 3.680 . 3.680 2.224 2.008 2.430 . 0 0 "[ . 1 . 2]" 1
604 1 20 VAL MG2 1 32 ARG H 5.350 . 5.350 4.525 3.973 4.840 . 0 0 "[ . 1 . 2]" 1
605 1 21 ARG H 1 21 ARG QD 5.890 . 5.890 4.114 3.833 4.506 . 0 0 "[ . 1 . 2]" 1
606 1 21 ARG H 1 21 ARG HG2 5.380 . 5.380 3.599 2.032 4.122 . 0 0 "[ . 1 . 2]" 1
607 1 21 ARG H 1 21 ARG QG 4.720 . 4.720 2.575 2.003 3.092 . 0 0 "[ . 1 . 2]" 1
608 1 21 ARG H 1 21 ARG HG3 5.380 . 5.380 2.748 2.026 3.488 . 0 0 "[ . 1 . 2]" 1
609 1 21 ARG H 1 29 VAL MG1 4.850 . 4.850 3.182 2.968 3.385 . 0 0 "[ . 1 . 2]" 1
610 1 21 ARG H 1 29 VAL MG2 5.410 . 5.410 5.404 5.162 5.508 0.098 17 0 "[ . 1 . 2]" 1
611 1 21 ARG H 1 30 GLU H 4.800 . 4.800 3.675 3.203 4.224 . 0 0 "[ . 1 . 2]" 1
612 1 21 ARG H 1 30 GLU QB 5.570 . 5.570 3.963 3.724 4.316 . 0 0 "[ . 1 . 2]" 1
613 1 21 ARG H 1 30 GLU HG2 5.890 . 5.890 4.774 4.485 5.893 0.003 10 0 "[ . 1 . 2]" 1
614 1 21 ARG H 1 30 GLU QG 5.170 . 5.170 4.549 4.356 5.034 . 0 0 "[ . 1 . 2]" 1
615 1 21 ARG H 1 30 GLU HG3 5.890 . 5.890 5.915 4.861 6.089 0.199 15 0 "[ . 1 . 2]" 1
616 1 21 ARG H 1 31 VAL HA 4.770 . 4.770 3.031 2.670 3.321 . 0 0 "[ . 1 . 2]" 1
617 1 21 ARG H 1 31 VAL MG1 5.890 . 5.890 4.525 4.244 4.817 . 0 0 "[ . 1 . 2]" 1
618 1 21 ARG H 1 31 VAL MG2 5.210 . 5.210 3.628 3.342 3.836 . 0 0 "[ . 1 . 2]" 1
619 1 21 ARG HA 1 22 CYS H 3.790 . 3.790 2.155 2.096 2.252 . 0 0 "[ . 1 . 2]" 1
620 1 21 ARG QB 1 22 CYS H 4.610 . 4.610 3.464 3.143 3.634 . 0 0 "[ . 1 . 2]" 1
621 1 21 ARG QB 1 30 GLU H 5.050 . 5.050 3.118 2.324 4.748 . 0 0 "[ . 1 . 2]" 1
622 1 21 ARG HB2 1 22 CYS H 5.320 . 5.320 4.234 3.359 4.436 . 0 0 "[ . 1 . 2]" 1
623 1 21 ARG HB3 1 22 CYS H 5.320 . 5.320 3.766 3.243 4.330 . 0 0 "[ . 1 . 2]" 1
624 1 21 ARG QD 1 30 GLU QG 5.550 . 5.550 3.369 2.635 5.016 . 0 0 "[ . 1 . 2]" 1
625 1 21 ARG QG 1 22 CYS H 5.050 . 5.050 4.343 4.094 4.620 . 0 0 "[ . 1 . 2]" 1
626 1 21 ARG HG2 1 22 CYS H 5.830 . 5.830 4.740 4.313 5.644 . 0 0 "[ . 1 . 2]" 1
627 1 21 ARG HG3 1 22 CYS H 5.830 . 5.830 5.142 4.349 5.449 . 0 0 "[ . 1 . 2]" 1
628 1 22 CYS H 1 22 CYS QB 3.890 . 3.890 2.562 2.408 2.899 . 0 0 "[ . 1 . 2]" 1
629 1 22 CYS H 1 23 ASP H 5.370 . 5.370 4.610 4.570 4.653 . 0 0 "[ . 1 . 2]" 1
630 1 22 CYS H 1 29 VAL MG1 5.890 . 5.890 4.195 3.715 4.606 . 0 0 "[ . 1 . 2]" 1
631 1 22 CYS H 1 30 GLU H 5.890 . 5.890 5.555 5.161 5.974 0.084 8 0 "[ . 1 . 2]" 1
632 1 22 CYS HA 1 23 ASP H 3.680 . 3.680 2.305 2.222 2.437 . 0 0 "[ . 1 . 2]" 1
633 1 22 CYS HA 1 29 VAL H 5.890 . 5.890 5.767 4.736 6.104 0.214 2 0 "[ . 1 . 2]" 1
634 1 22 CYS HA 1 29 VAL MG1 5.680 . 5.680 2.930 2.430 3.304 . 0 0 "[ . 1 . 2]" 1
635 1 22 CYS HA 1 29 VAL MG2 5.000 . 5.000 2.599 1.920 3.084 . 0 0 "[ . 1 . 2]" 1
636 1 22 CYS HA 1 30 GLU H 5.350 . 5.350 4.688 3.847 5.120 . 0 0 "[ . 1 . 2]" 1
637 1 22 CYS QB 1 23 ASP H 4.570 . 4.570 2.834 2.522 3.138 . 0 0 "[ . 1 . 2]" 1
638 1 22 CYS QB 1 29 VAL MG2 5.160 . 5.160 3.812 2.191 4.431 . 0 0 "[ . 1 . 2]" 1
639 1 22 CYS HB2 1 23 ASP H 5.500 . 5.500 3.762 2.703 4.059 . 0 0 "[ . 1 . 2]" 1
640 1 22 CYS HB2 1 29 VAL MG1 5.890 . 5.890 5.262 3.833 5.677 . 0 0 "[ . 1 . 2]" 1
641 1 22 CYS HB2 1 29 VAL MG2 5.890 . 5.890 5.010 2.611 5.659 . 0 0 "[ . 1 . 2]" 1
642 1 22 CYS HB3 1 23 ASP H 5.500 . 5.500 2.984 2.578 3.870 . 0 0 "[ . 1 . 2]" 1
643 1 22 CYS HB3 1 29 VAL MG1 5.890 . 5.890 4.668 2.536 5.168 . 0 0 "[ . 1 . 2]" 1
644 1 22 CYS HB3 1 29 VAL MG2 5.890 . 5.890 3.957 2.353 4.629 . 0 0 "[ . 1 . 2]" 1
645 1 23 ASP H 1 23 ASP HB2 4.340 . 4.340 3.419 2.690 3.658 . 0 0 "[ . 1 . 2]" 1
646 1 23 ASP H 1 23 ASP QB 3.800 . 3.800 2.850 2.636 3.064 . 0 0 "[ . 1 . 2]" 1
647 1 23 ASP H 1 23 ASP HB3 4.340 . 4.340 3.145 2.814 3.897 . 0 0 "[ . 1 . 2]" 1
648 1 23 ASP H 1 24 GLU QB 5.710 . 5.710 4.872 4.551 5.522 . 0 0 "[ . 1 . 2]" 1
649 1 23 ASP H 1 28 CYS H 5.550 . 5.550 4.746 3.829 5.471 . 0 0 "[ . 1 . 2]" 1
650 1 23 ASP H 1 29 VAL HA 4.880 . 4.880 3.891 3.372 4.441 . 0 0 "[ . 1 . 2]" 1
651 1 23 ASP H 1 29 VAL MG1 5.780 . 5.780 4.466 4.053 5.009 . 0 0 "[ . 1 . 2]" 1
652 1 23 ASP H 1 29 VAL MG2 5.450 . 5.450 3.025 2.399 3.840 . 0 0 "[ . 1 . 2]" 1
653 1 23 ASP HA 1 24 GLU QB 5.710 . 5.710 4.355 3.899 4.591 . 0 0 "[ . 1 . 2]" 1
654 1 23 ASP HA 1 25 SER H 5.460 . 5.460 3.684 3.491 4.039 . 0 0 "[ . 1 . 2]" 1
655 1 23 ASP QB 1 24 GLU H 4.480 . 4.480 3.535 2.097 3.987 . 0 0 "[ . 1 . 2]" 1
656 1 23 ASP QB 1 25 SER H 5.110 . 5.110 3.989 3.144 4.361 . 0 0 "[ . 1 . 2]" 1
657 1 23 ASP QB 1 28 CYS H 4.670 . 4.670 3.038 2.526 3.866 . 0 0 "[ . 1 . 2]" 1
658 1 23 ASP HB2 1 24 GLU H 5.310 . 5.310 4.060 3.488 4.609 . 0 0 "[ . 1 . 2]" 1
659 1 23 ASP HB2 1 25 SER H 5.890 . 5.890 4.718 4.321 5.275 . 0 0 "[ . 1 . 2]" 1
660 1 23 ASP HB2 1 26 ASN H 5.890 . 5.890 4.751 4.046 5.170 . 0 0 "[ . 1 . 2]" 1
661 1 23 ASP HB3 1 24 GLU H 5.310 . 5.310 3.936 2.114 4.365 . 0 0 "[ . 1 . 2]" 1
662 1 23 ASP HB3 1 25 SER H 5.890 . 5.890 4.374 3.186 4.747 . 0 0 "[ . 1 . 2]" 1
663 1 23 ASP HB3 1 26 ASN H 5.890 . 5.890 4.070 2.722 4.775 . 0 0 "[ . 1 . 2]" 1
664 1 24 GLU H 1 24 GLU QB 3.790 . 3.790 2.915 2.286 3.286 . 0 0 "[ . 1 . 2]" 1
665 1 24 GLU H 1 24 GLU HG2 4.900 . 4.900 2.869 2.039 4.515 . 0 0 "[ . 1 . 2]" 1
666 1 24 GLU H 1 24 GLU HG3 4.900 . 4.900 3.347 1.858 4.770 . 0 0 "[ . 1 . 2]" 1
667 1 24 GLU H 1 25 SER H 4.220 . 4.220 1.985 1.575 2.627 . 0 0 "[ . 1 . 2]" 1
668 1 24 GLU H 1 25 SER QB 5.890 . 5.890 4.009 3.320 4.712 . 0 0 "[ . 1 . 2]" 1
669 1 24 GLU H 1 27 HIS H 5.890 . 5.890 4.175 3.609 4.640 . 0 0 "[ . 1 . 2]" 1
670 1 24 GLU H 1 28 CYS H 5.890 . 5.890 5.176 4.626 5.934 0.044 20 0 "[ . 1 . 2]" 1
671 1 24 GLU HA 1 26 ASN H 5.890 . 5.890 4.523 4.222 4.903 . 0 0 "[ . 1 . 2]" 1
672 1 24 GLU HA 1 27 HIS H 5.890 . 5.890 3.199 2.766 3.715 . 0 0 "[ . 1 . 2]" 1
673 1 24 GLU HA 1 27 HIS HD2 5.690 . 5.690 4.923 2.355 5.772 0.082 20 0 "[ . 1 . 2]" 1
674 1 24 GLU HA 1 27 HIS HE1 5.890 . 5.890 5.148 4.238 6.167 0.277 3 0 "[ . 1 . 2]" 1
675 1 24 GLU HA 1 28 CYS H 5.890 . 5.890 4.417 3.592 4.984 . 0 0 "[ . 1 . 2]" 1
676 1 24 GLU HB2 1 25 SER H 5.040 . 5.040 4.156 3.331 4.507 . 0 0 "[ . 1 . 2]" 1
677 1 24 GLU HB3 1 25 SER H 5.040 . 5.040 4.195 3.110 4.640 . 0 0 "[ . 1 . 2]" 1
678 1 24 GLU HG2 1 25 SER H 5.890 . 5.890 3.625 2.519 5.303 . 0 0 "[ . 1 . 2]" 1
679 1 24 GLU HG3 1 25 SER H 5.890 . 5.890 3.617 2.459 5.224 . 0 0 "[ . 1 . 2]" 1
680 1 25 SER H 1 25 SER QB 3.870 . 3.870 2.441 2.262 2.567 . 0 0 "[ . 1 . 2]" 1
681 1 25 SER H 1 26 ASN H 4.190 . 4.190 2.555 2.414 2.733 . 0 0 "[ . 1 . 2]" 1
682 1 25 SER H 1 26 ASN QB 5.710 . 5.710 4.657 4.132 5.293 . 0 0 "[ . 1 . 2]" 1
683 1 25 SER H 1 27 HIS H 5.890 . 5.890 3.316 2.702 3.770 . 0 0 "[ . 1 . 2]" 1
684 1 25 SER HA 1 27 HIS H 5.890 . 5.890 4.215 4.040 4.458 . 0 0 "[ . 1 . 2]" 1
685 1 25 SER QB 1 26 ASN H 4.830 . 4.830 2.404 2.061 2.768 . 0 0 "[ . 1 . 2]" 1
686 1 26 ASN H 1 26 ASN QD 5.710 . 5.710 3.543 2.082 4.602 . 0 0 "[ . 1 . 2]" 1
687 1 26 ASN H 1 27 HIS H 4.630 . 4.630 2.250 2.027 2.427 . 0 0 "[ . 1 . 2]" 1
688 1 26 ASN H 1 27 HIS HA 5.890 . 5.890 4.449 4.125 4.663 . 0 0 "[ . 1 . 2]" 1
689 1 26 ASN H 1 28 CYS H 5.830 . 5.830 3.949 3.500 4.279 . 0 0 "[ . 1 . 2]" 1
690 1 26 ASN HA 1 27 HIS HD2 5.890 . 5.890 3.789 3.196 6.028 0.138 3 0 "[ . 1 . 2]" 1
691 1 26 ASN QB 1 28 CYS H 5.560 . 5.560 3.367 2.417 5.352 . 0 0 "[ . 1 . 2]" 1
692 1 26 ASN HB2 1 27 HIS H 5.890 . 5.890 3.892 3.087 4.395 . 0 0 "[ . 1 . 2]" 1
693 1 26 ASN HB3 1 27 HIS H 5.890 . 5.890 3.749 2.804 4.436 . 0 0 "[ . 1 . 2]" 1
694 1 26 ASN QD 1 28 CYS QB 5.030 . 5.030 3.286 1.569 4.918 . 0 0 "[ . 1 . 2]" 1
695 1 27 HIS H 1 27 HIS HD2 5.890 . 5.890 3.461 2.957 3.804 . 0 0 "[ . 1 . 2]" 1
696 1 27 HIS H 1 28 CYS H 4.600 . 4.600 2.670 2.504 3.068 . 0 0 "[ . 1 . 2]" 1
697 1 27 HIS HA 1 27 HIS HD2 5.090 . 5.090 3.955 2.333 4.327 . 0 0 "[ . 1 . 2]" 1
698 1 27 HIS HB2 1 28 CYS H 5.890 . 5.890 4.339 4.146 4.599 . 0 0 "[ . 1 . 2]" 1
699 1 27 HIS HB3 1 28 CYS H 5.890 . 5.890 4.461 4.188 4.519 . 0 0 "[ . 1 . 2]" 1
700 1 28 CYS CB 1 41 CYS SG 3.320 . 3.320 3.051 3.015 3.118 . 0 0 "[ . 1 . 2]" 1
701 1 28 CYS H 1 28 CYS QB 3.840 . 3.840 2.753 2.539 2.895 . 0 0 "[ . 1 . 2]" 1
702 1 28 CYS H 1 29 VAL H 5.890 . 5.890 4.242 4.010 4.447 . 0 0 "[ . 1 . 2]" 1
703 1 28 CYS H 1 29 VAL MG2 5.890 . 5.890 4.419 3.980 4.736 . 0 0 "[ . 1 . 2]" 1
704 1 28 CYS H 1 41 CYS HA 5.890 . 5.890 4.798 4.378 5.251 . 0 0 "[ . 1 . 2]" 1
705 1 28 CYS HA 1 29 VAL MG2 5.740 . 5.740 3.542 3.352 3.834 . 0 0 "[ . 1 . 2]" 1
706 1 28 CYS HA 1 39 THR MG 5.890 . 5.890 4.082 3.273 4.799 . 0 0 "[ . 1 . 2]" 1
707 1 28 CYS HA 1 40 LEU H 5.890 . 5.890 5.427 4.944 6.023 0.133 16 0 "[ . 1 . 2]" 1
708 1 28 CYS HA 1 41 CYS HA 4.250 . 4.250 2.071 1.581 2.593 . 0 0 "[ . 1 . 2]" 1
709 1 28 CYS HA 1 41 CYS HB2 5.890 . 5.890 4.570 2.452 5.175 . 0 0 "[ . 1 . 2]" 1
710 1 28 CYS HA 1 41 CYS QB 5.060 . 5.060 3.612 2.428 4.207 . 0 0 "[ . 1 . 2]" 1
711 1 28 CYS HA 1 41 CYS HB3 5.890 . 5.890 3.914 3.379 5.114 . 0 0 "[ . 1 . 2]" 1
712 1 28 CYS QB 1 29 VAL H 4.280 . 4.280 3.305 2.209 3.811 . 0 0 "[ . 1 . 2]" 1
713 1 28 CYS QB 1 39 THR MG 4.030 . 4.030 2.626 1.826 3.740 . 0 0 "[ . 1 . 2]" 1
714 1 28 CYS QB 1 40 LEU H 5.670 . 5.670 5.224 4.308 5.850 0.180 20 0 "[ . 1 . 2]" 1
715 1 28 CYS QB 1 41 CYS HA 5.100 . 5.100 3.155 2.257 3.977 . 0 0 "[ . 1 . 2]" 1
716 1 28 CYS HB2 1 29 VAL H 5.080 . 5.080 4.139 3.503 4.436 . 0 0 "[ . 1 . 2]" 1
717 1 28 CYS HB2 1 39 THR MG 4.640 . 4.640 3.593 2.763 4.325 . 0 0 "[ . 1 . 2]" 1
718 1 28 CYS HB2 1 41 CYS HA 5.890 . 5.890 3.816 2.648 5.245 . 0 0 "[ . 1 . 2]" 1
719 1 28 CYS HB3 1 29 VAL H 5.080 . 5.080 3.517 2.234 4.204 . 0 0 "[ . 1 . 2]" 1
720 1 28 CYS HB3 1 39 THR MG 4.640 . 4.640 2.732 1.841 4.093 . 0 0 "[ . 1 . 2]" 1
721 1 28 CYS HB3 1 41 CYS HA 5.890 . 5.890 3.724 2.277 4.164 . 0 0 "[ . 1 . 2]" 1
722 1 28 CYS SG 1 41 CYS CB 3.320 . 3.320 3.053 3.007 3.102 . 0 0 "[ . 1 . 2]" 1
723 1 28 CYS SG 1 41 CYS SG 2.250 . 2.250 2.031 2.025 2.039 . 0 0 "[ . 1 . 2]" 1
724 1 29 VAL H 1 29 VAL MG2 4.430 . 4.430 2.506 2.297 2.964 . 0 0 "[ . 1 . 2]" 1
725 1 29 VAL H 1 30 GLU H 5.870 . 5.870 4.316 4.048 4.416 . 0 0 "[ . 1 . 2]" 1
726 1 29 VAL H 1 39 THR MG 4.840 . 4.840 3.578 2.813 4.070 . 0 0 "[ . 1 . 2]" 1
727 1 29 VAL H 1 40 LEU H 4.820 . 4.820 3.772 3.125 4.191 . 0 0 "[ . 1 . 2]" 1
728 1 29 VAL H 1 40 LEU HB2 5.890 . 5.890 4.154 3.706 4.680 . 0 0 "[ . 1 . 2]" 1
729 1 29 VAL H 1 40 LEU HB3 5.890 . 5.890 4.647 4.277 4.970 . 0 0 "[ . 1 . 2]" 1
730 1 29 VAL H 1 41 CYS HA 5.200 . 5.200 3.095 2.187 3.712 . 0 0 "[ . 1 . 2]" 1
731 1 29 VAL HA 1 30 GLU H 3.760 . 3.760 2.198 2.141 2.266 . 0 0 "[ . 1 . 2]" 1
732 1 29 VAL HA 1 30 GLU QB 5.710 . 5.710 4.219 4.072 4.313 . 0 0 "[ . 1 . 2]" 1
733 1 29 VAL HA 1 40 LEU H 5.890 . 5.890 5.139 4.874 5.508 . 0 0 "[ . 1 . 2]" 1
734 1 29 VAL HB 1 30 GLU H 4.890 . 4.890 4.390 4.227 4.456 . 0 0 "[ . 1 . 2]" 1
735 1 29 VAL HB 1 31 VAL MG2 5.860 . 5.860 3.800 3.493 4.173 . 0 0 "[ . 1 . 2]" 1
736 1 29 VAL HB 1 40 LEU H 5.350 . 5.350 3.500 3.008 3.957 . 0 0 "[ . 1 . 2]" 1
737 1 29 VAL HB 1 40 LEU HB2 5.380 . 5.380 2.948 2.255 3.473 . 0 0 "[ . 1 . 2]" 1
738 1 29 VAL HB 1 40 LEU QB 4.600 . 4.600 2.869 2.237 3.355 . 0 0 "[ . 1 . 2]" 1
739 1 29 VAL HB 1 40 LEU HB3 5.380 . 5.380 4.006 3.532 4.565 . 0 0 "[ . 1 . 2]" 1
740 1 29 VAL MG1 1 30 GLU H 4.410 . 4.410 3.116 2.848 3.245 . 0 0 "[ . 1 . 2]" 1
741 1 29 VAL MG1 1 30 GLU HA 5.890 . 5.890 3.991 3.763 4.189 . 0 0 "[ . 1 . 2]" 1
742 1 29 VAL MG1 1 31 VAL H 5.510 . 5.510 3.903 3.613 4.362 . 0 0 "[ . 1 . 2]" 1
743 1 29 VAL MG1 1 31 VAL MG1 5.890 . 5.890 4.340 4.139 4.562 . 0 0 "[ . 1 . 2]" 1
744 1 29 VAL MG1 1 31 VAL MG2 4.120 . 4.120 2.297 2.093 2.462 . 0 0 "[ . 1 . 2]" 1
745 1 29 VAL MG1 1 40 LEU QB 5.710 . 5.710 3.739 3.369 4.145 . 0 0 "[ . 1 . 2]" 1
746 1 29 VAL MG2 1 30 GLU H 5.130 . 5.130 4.237 4.134 4.349 . 0 0 "[ . 1 . 2]" 1
747 1 29 VAL MG2 1 31 VAL MG2 5.260 . 5.260 4.512 4.280 4.729 . 0 0 "[ . 1 . 2]" 1
748 1 30 GLU H 1 30 GLU QG 5.050 . 5.050 4.039 3.991 4.091 . 0 0 "[ . 1 . 2]" 1
749 1 30 GLU H 1 31 VAL H 5.450 . 5.450 4.350 4.262 4.526 . 0 0 "[ . 1 . 2]" 1
750 1 30 GLU H 1 31 VAL MG2 5.750 . 5.750 4.481 4.233 4.852 . 0 0 "[ . 1 . 2]" 1
751 1 30 GLU H 1 39 THR MG 5.890 . 5.890 3.657 3.201 4.388 . 0 0 "[ . 1 . 2]" 1
752 1 30 GLU HA 1 31 VAL H 3.620 . 3.620 2.171 2.041 2.226 . 0 0 "[ . 1 . 2]" 1
753 1 30 GLU HA 1 31 VAL HB 5.890 . 5.890 4.738 4.509 4.871 . 0 0 "[ . 1 . 2]" 1
754 1 30 GLU HA 1 31 VAL MG2 5.440 . 5.440 3.661 3.430 3.962 . 0 0 "[ . 1 . 2]" 1
755 1 30 GLU HA 1 39 THR MG 5.810 . 5.810 2.519 2.048 3.076 . 0 0 "[ . 1 . 2]" 1
756 1 30 GLU HA 1 40 LEU QB 5.710 . 5.710 5.423 5.139 5.710 0.000 5 0 "[ . 1 . 2]" 1
757 1 30 GLU QB 1 39 THR MG 5.710 . 5.710 2.673 1.999 3.405 . 0 0 "[ . 1 . 2]" 1
758 1 30 GLU HB2 1 31 VAL H 5.670 . 5.670 4.355 4.013 4.456 . 0 0 "[ . 1 . 2]" 1
759 1 30 GLU HB3 1 31 VAL H 5.670 . 5.670 4.349 4.027 4.452 . 0 0 "[ . 1 . 2]" 1
760 1 30 GLU QG 1 31 VAL H 4.790 . 4.790 3.062 2.466 3.489 . 0 0 "[ . 1 . 2]" 1
761 1 30 GLU QG 1 32 ARG H 4.880 . 4.880 3.666 3.090 4.221 . 0 0 "[ . 1 . 2]" 1
762 1 30 GLU QG 1 32 ARG QB 4.570 . 4.570 3.092 2.735 4.700 0.130 15 0 "[ . 1 . 2]" 1
763 1 30 GLU QG 1 32 ARG HE 5.680 . 5.680 4.288 3.316 5.826 0.146 17 0 "[ . 1 . 2]" 1
764 1 30 GLU QG 1 32 ARG QG 4.800 . 4.800 4.600 4.010 4.950 0.150 5 0 "[ . 1 . 2]" 1
765 1 30 GLU HG2 1 31 VAL H 5.520 . 5.520 3.487 2.737 4.952 . 0 0 "[ . 1 . 2]" 1
766 1 30 GLU HG2 1 39 THR HA 5.890 . 5.890 5.010 4.535 5.992 0.102 10 0 "[ . 1 . 2]" 1
767 1 30 GLU HG2 1 39 THR MG 5.890 . 5.890 4.737 4.148 5.495 . 0 0 "[ . 1 . 2]" 1
768 1 30 GLU HG3 1 31 VAL H 5.520 . 5.520 3.469 2.802 3.839 . 0 0 "[ . 1 . 2]" 1
769 1 30 GLU HG3 1 39 THR HA 5.890 . 5.890 4.031 3.440 5.341 . 0 0 "[ . 1 . 2]" 1
770 1 30 GLU HG3 1 39 THR MG 5.890 . 5.890 3.742 3.087 5.002 . 0 0 "[ . 1 . 2]" 1
771 1 31 VAL H 1 31 VAL HB 4.310 . 4.310 2.620 2.543 2.717 . 0 0 "[ . 1 . 2]" 1
772 1 31 VAL H 1 31 VAL MG2 4.410 . 4.410 2.396 2.256 2.754 . 0 0 "[ . 1 . 2]" 1
773 1 31 VAL H 1 37 LYS QG 5.710 . 5.710 4.667 3.935 5.736 0.026 15 0 "[ . 1 . 2]" 1
774 1 31 VAL H 1 38 TYR H 4.760 . 4.760 3.612 3.095 3.860 . 0 0 "[ . 1 . 2]" 1
775 1 31 VAL H 1 38 TYR HB2 5.800 . 5.800 5.309 5.047 5.450 . 0 0 "[ . 1 . 2]" 1
776 1 31 VAL H 1 38 TYR QD 5.540 . 5.540 4.175 3.749 4.434 . 0 0 "[ . 1 . 2]" 1
777 1 31 VAL H 1 39 THR MG 5.890 . 5.890 4.260 3.873 4.623 . 0 0 "[ . 1 . 2]" 1
778 1 31 VAL H 1 40 LEU H 5.470 . 5.470 4.026 3.537 4.722 . 0 0 "[ . 1 . 2]" 1
779 1 31 VAL H 1 40 LEU MD1 5.590 . 5.590 4.278 3.704 4.709 . 0 0 "[ . 1 . 2]" 1
780 1 31 VAL HA 1 32 ARG H 3.560 . 3.560 2.164 2.102 2.265 . 0 0 "[ . 1 . 2]" 1
781 1 31 VAL HA 1 38 TYR H 5.890 . 5.890 5.073 4.963 5.231 . 0 0 "[ . 1 . 2]" 1
782 1 31 VAL HB 1 32 ARG H 5.890 . 5.890 4.324 4.096 4.378 . 0 0 "[ . 1 . 2]" 1
783 1 31 VAL HB 1 37 LYS HA 5.890 . 5.890 4.608 4.375 4.846 . 0 0 "[ . 1 . 2]" 1
784 1 31 VAL HB 1 38 TYR H 4.630 . 4.630 3.255 3.092 3.437 . 0 0 "[ . 1 . 2]" 1
785 1 31 VAL HB 1 38 TYR HB2 4.890 . 4.890 4.855 4.756 4.933 0.043 15 0 "[ . 1 . 2]" 1
786 1 31 VAL HB 1 38 TYR HB3 5.600 . 5.600 5.323 5.278 5.410 . 0 0 "[ . 1 . 2]" 1
787 1 31 VAL HB 1 38 TYR QD 3.980 . 3.980 3.108 2.857 3.256 . 0 0 "[ . 1 . 2]" 1
788 1 31 VAL HB 1 38 TYR QE 4.770 . 4.770 2.812 2.555 2.979 . 0 0 "[ . 1 . 2]" 1
789 1 31 VAL HB 1 40 LEU MD1 5.890 . 5.890 3.880 3.442 4.174 . 0 0 "[ . 1 . 2]" 1
790 1 31 VAL MG1 1 32 ARG H 4.390 . 4.390 3.176 2.605 3.325 . 0 0 "[ . 1 . 2]" 1
791 1 31 VAL MG1 1 32 ARG HA 5.770 . 5.770 4.095 3.766 4.290 . 0 0 "[ . 1 . 2]" 1
792 1 31 VAL MG1 1 33 CYS H 5.290 . 5.290 3.584 3.161 4.722 . 0 0 "[ . 1 . 2]" 1
793 1 31 VAL MG1 1 33 CYS HA 5.890 . 5.890 4.006 3.320 4.653 . 0 0 "[ . 1 . 2]" 1
794 1 31 VAL MG1 1 33 CYS HB2 5.420 . 5.420 4.004 2.889 4.811 . 0 0 "[ . 1 . 2]" 1
795 1 31 VAL MG1 1 38 TYR H 5.300 . 5.300 4.109 3.938 4.321 . 0 0 "[ . 1 . 2]" 1
796 1 31 VAL MG1 1 38 TYR HB2 5.800 . 5.800 5.839 5.732 5.925 0.125 15 0 "[ . 1 . 2]" 1
797 1 31 VAL MG1 1 38 TYR HB3 5.890 . 5.890 5.984 5.901 6.084 0.194 19 0 "[ . 1 . 2]" 1
798 1 31 VAL MG1 1 38 TYR QD 4.120 . 4.120 3.985 3.876 4.075 . 0 0 "[ . 1 . 2]" 1
799 1 31 VAL MG1 1 38 TYR QE 4.640 . 4.640 2.698 2.554 2.874 . 0 0 "[ . 1 . 2]" 1
800 1 31 VAL MG2 1 32 ARG H 5.220 . 5.220 4.305 4.180 4.352 . 0 0 "[ . 1 . 2]" 1
801 1 31 VAL MG2 1 38 TYR H 5.560 . 5.560 4.599 4.498 4.711 . 0 0 "[ . 1 . 2]" 1
802 1 31 VAL MG2 1 38 TYR HA 5.890 . 5.890 5.941 5.889 6.018 0.128 19 0 "[ . 1 . 2]" 1
803 1 31 VAL MG2 1 38 TYR HB2 5.260 . 5.260 5.174 5.054 5.273 0.013 11 0 "[ . 1 . 2]" 1
804 1 31 VAL MG2 1 38 TYR HB3 5.840 . 5.840 5.994 5.929 6.051 0.211 9 0 "[ . 1 . 2]" 1
805 1 31 VAL MG2 1 38 TYR QD 4.690 . 4.690 3.292 3.112 3.424 . 0 0 "[ . 1 . 2]" 1
806 1 31 VAL MG2 1 38 TYR QE 5.140 . 5.140 2.421 2.171 2.621 . 0 0 "[ . 1 . 2]" 1
807 1 31 VAL MG2 1 40 LEU H 5.780 . 5.780 3.583 3.218 3.819 . 0 0 "[ . 1 . 2]" 1
808 1 31 VAL MG2 1 40 LEU MD1 4.620 . 4.620 2.842 2.261 3.354 . 0 0 "[ . 1 . 2]" 1
809 1 31 VAL MG2 1 40 LEU HG 5.890 . 5.890 5.410 4.849 5.797 . 0 0 "[ . 1 . 2]" 1
810 1 32 ARG H 1 32 ARG QD 5.710 . 5.710 4.725 2.527 5.056 . 0 0 "[ . 1 . 2]" 1
811 1 32 ARG H 1 32 ARG QG 5.080 . 5.080 4.024 3.651 4.181 . 0 0 "[ . 1 . 2]" 1
812 1 32 ARG H 1 33 CYS H 5.890 . 5.890 4.063 3.704 4.621 . 0 0 "[ . 1 . 2]" 1
813 1 32 ARG H 1 33 CYS HA 5.890 . 5.890 4.881 4.416 5.224 . 0 0 "[ . 1 . 2]" 1
814 1 32 ARG H 1 37 LYS HA 5.890 . 5.890 4.674 4.421 5.050 . 0 0 "[ . 1 . 2]" 1
815 1 32 ARG HA 1 32 ARG HE 4.840 . 4.840 4.451 3.940 4.930 0.090 8 0 "[ . 1 . 2]" 1
816 1 32 ARG HA 1 33 CYS H 3.810 . 3.810 2.326 2.253 2.496 . 0 0 "[ . 1 . 2]" 1
817 1 32 ARG HA 1 33 CYS HB2 5.890 . 5.890 4.636 4.296 4.914 . 0 0 "[ . 1 . 2]" 1
818 1 32 ARG HA 1 36 THR H 5.890 . 5.890 5.692 4.977 5.962 0.072 8 0 "[ . 1 . 2]" 1
819 1 32 ARG HA 1 37 LYS H 5.890 . 5.890 3.993 2.858 5.245 . 0 0 "[ . 1 . 2]" 1
820 1 32 ARG HA 1 37 LYS HB2 5.890 . 5.890 3.102 2.670 3.974 . 0 0 "[ . 1 . 2]" 1
821 1 32 ARG HA 1 37 LYS HB3 5.890 . 5.890 4.397 4.082 4.940 . 0 0 "[ . 1 . 2]" 1
822 1 32 ARG HA 1 37 LYS HG2 5.890 . 5.890 3.355 2.105 4.328 . 0 0 "[ . 1 . 2]" 1
823 1 32 ARG HA 1 37 LYS HG3 5.890 . 5.890 3.007 1.970 4.770 . 0 0 "[ . 1 . 2]" 1
824 1 32 ARG QB 1 32 ARG HE 4.900 . 4.900 2.195 1.891 3.880 . 0 0 "[ . 1 . 2]" 1
825 1 32 ARG HB2 1 32 ARG HE 5.590 . 5.590 2.398 1.911 4.189 . 0 0 "[ . 1 . 2]" 1
826 1 32 ARG HB3 1 32 ARG HE 5.590 . 5.590 3.032 2.038 4.582 . 0 0 "[ . 1 . 2]" 1
827 1 32 ARG QD 1 37 LYS QB 5.540 . 5.540 4.671 4.281 5.202 . 0 0 "[ . 1 . 2]" 1
828 1 32 ARG QD 1 37 LYS QD 5.710 . 5.710 4.674 3.211 5.553 . 0 0 "[ . 1 . 2]" 1
829 1 32 ARG QG 1 33 CYS H 4.990 . 4.990 3.584 1.973 3.889 . 0 0 "[ . 1 . 2]" 1
830 1 32 ARG QG 1 34 SER H 5.710 . 5.710 4.195 2.158 5.772 0.062 15 0 "[ . 1 . 2]" 1
831 1 32 ARG QG 1 36 THR H 5.710 . 5.710 5.721 5.291 5.885 0.175 13 0 "[ . 1 . 2]" 1
832 1 32 ARG HG2 1 37 LYS HA 5.890 . 5.890 4.982 3.869 5.379 . 0 0 "[ . 1 . 2]" 1
833 1 32 ARG HG3 1 37 LYS HA 5.890 . 5.890 4.179 3.034 4.934 . 0 0 "[ . 1 . 2]" 1
834 1 33 CYS H 1 33 CYS HB2 4.370 . 4.370 2.591 2.373 3.258 . 0 0 "[ . 1 . 2]" 1
835 1 33 CYS H 1 34 SER H 5.190 . 5.190 2.981 2.616 4.627 . 0 0 "[ . 1 . 2]" 1
836 1 33 CYS H 1 36 THR H 5.150 . 5.150 4.324 3.766 4.844 . 0 0 "[ . 1 . 2]" 1
837 1 33 CYS H 1 36 THR HB 5.890 . 5.890 4.717 3.716 5.864 . 0 0 "[ . 1 . 2]" 1
838 1 33 CYS H 1 36 THR MG 5.870 . 5.870 5.041 4.330 5.810 . 0 0 "[ . 1 . 2]" 1
839 1 33 CYS H 1 37 LYS H 5.890 . 5.890 3.485 2.516 5.090 . 0 0 "[ . 1 . 2]" 1
840 1 33 CYS H 1 37 LYS HA 4.950 . 4.950 3.016 2.455 4.137 . 0 0 "[ . 1 . 2]" 1
841 1 33 CYS H 1 37 LYS QB 5.710 . 5.710 3.935 3.182 4.595 . 0 0 "[ . 1 . 2]" 1
842 1 33 CYS H 1 37 LYS HG2 5.890 . 5.890 5.140 3.836 5.996 0.106 2 0 "[ . 1 . 2]" 1
843 1 33 CYS H 1 37 LYS HG3 5.890 . 5.890 4.896 4.167 5.901 0.011 15 0 "[ . 1 . 2]" 1
844 1 33 CYS H 1 38 TYR QE 5.890 . 5.890 4.540 3.745 5.948 0.058 8 0 "[ . 1 . 2]" 1
845 1 33 CYS HA 1 35 ASP H 5.850 . 5.850 5.546 4.511 5.953 0.103 17 0 "[ . 1 . 2]" 1
846 1 33 CYS HB2 1 34 SER H 4.470 . 4.470 2.877 1.989 4.067 . 0 0 "[ . 1 . 2]" 1
847 1 33 CYS HB2 1 34 SER QB 5.710 . 5.710 4.790 3.839 5.483 . 0 0 "[ . 1 . 2]" 1
848 1 33 CYS HB2 1 35 ASP H 5.020 . 5.020 4.327 3.057 5.173 0.153 6 0 "[ . 1 . 2]" 1
849 1 33 CYS HB2 1 36 THR H 4.590 . 4.590 3.703 2.399 4.679 0.089 15 0 "[ . 1 . 2]" 1
850 1 33 CYS HB2 1 36 THR HB 5.630 . 5.630 3.779 2.334 5.160 . 0 0 "[ . 1 . 2]" 1
851 1 33 CYS HB2 1 36 THR MG 5.640 . 5.640 4.145 3.405 4.873 . 0 0 "[ . 1 . 2]" 1
852 1 33 CYS HB2 1 38 TYR QE 5.180 . 5.180 3.702 2.406 4.568 . 0 0 "[ . 1 . 2]" 1
853 1 33 CYS HB3 1 34 SER H 4.020 . 4.020 2.766 1.852 4.349 0.329 16 0 "[ . 1 . 2]" 1
854 1 33 CYS HB3 1 34 SER QB 5.710 . 5.710 4.038 3.737 4.734 . 0 0 "[ . 1 . 2]" 1
855 1 33 CYS HB3 1 35 ASP H 4.940 . 4.940 3.961 3.323 4.884 . 0 0 "[ . 1 . 2]" 1
856 1 33 CYS HB3 1 36 THR H 5.050 . 5.050 3.923 2.903 5.030 . 0 0 "[ . 1 . 2]" 1
857 1 33 CYS HB3 1 36 THR HB 5.890 . 5.890 4.517 2.434 5.895 0.005 11 0 "[ . 1 . 2]" 1
858 1 33 CYS HB3 1 36 THR MG 5.890 . 5.890 4.558 3.152 5.977 0.087 7 0 "[ . 1 . 2]" 1
859 1 33 CYS HB3 1 38 TYR QE 5.870 . 5.870 4.527 3.337 5.406 . 0 0 "[ . 1 . 2]" 1
860 1 34 SER H 1 35 ASP H 4.700 . 4.700 2.447 1.954 3.965 . 0 0 "[ . 1 . 2]" 1
861 1 34 SER H 1 36 THR H 5.890 . 5.890 2.774 2.336 4.058 . 0 0 "[ . 1 . 2]" 1
862 1 34 SER HA 1 36 THR H 5.890 . 5.890 4.787 4.335 5.258 . 0 0 "[ . 1 . 2]" 1
863 1 34 SER QB 1 35 ASP H 4.270 . 4.270 2.334 1.955 2.993 . 0 0 "[ . 1 . 2]" 1
864 1 34 SER QB 1 36 THR H 5.710 . 5.710 4.172 3.640 4.912 . 0 0 "[ . 1 . 2]" 1
865 1 34 SER HB2 1 35 ASP H 4.920 . 4.920 3.138 1.981 3.889 . 0 0 "[ . 1 . 2]" 1
866 1 34 SER HB3 1 35 ASP H 4.920 . 4.920 2.790 2.062 3.831 . 0 0 "[ . 1 . 2]" 1
867 1 35 ASP H 1 36 THR H 3.760 . 3.760 2.166 1.802 2.631 . 0 0 "[ . 1 . 2]" 1
868 1 35 ASP H 1 36 THR HA 5.890 . 5.890 4.830 4.575 5.264 . 0 0 "[ . 1 . 2]" 1
869 1 35 ASP H 1 36 THR MG 5.640 . 5.640 4.634 3.123 5.718 0.078 10 0 "[ . 1 . 2]" 1
870 1 35 ASP HB2 1 36 THR H 5.890 . 5.890 3.814 2.710 4.375 . 0 0 "[ . 1 . 2]" 1
871 1 35 ASP HB3 1 36 THR H 5.890 . 5.890 3.566 2.333 4.474 . 0 0 "[ . 1 . 2]" 1
872 1 36 THR H 1 36 THR HB 4.400 . 4.400 3.148 2.459 3.781 . 0 0 "[ . 1 . 2]" 1
873 1 36 THR H 1 36 THR MG 4.680 . 4.680 3.281 2.420 4.051 . 0 0 "[ . 1 . 2]" 1
874 1 36 THR H 1 37 LYS H 5.530 . 5.530 3.207 2.452 4.446 . 0 0 "[ . 1 . 2]" 1
875 1 36 THR H 1 37 LYS HA 5.890 . 5.890 4.961 4.494 5.472 . 0 0 "[ . 1 . 2]" 1
876 1 36 THR H 1 37 LYS QB 5.710 . 5.710 4.446 3.895 5.166 . 0 0 "[ . 1 . 2]" 1
877 1 36 THR HA 1 37 LYS HB2 5.890 . 5.890 5.090 4.464 5.598 . 0 0 "[ . 1 . 2]" 1
878 1 36 THR HA 1 37 LYS QB 5.160 . 5.160 4.430 4.087 4.701 . 0 0 "[ . 1 . 2]" 1
879 1 36 THR HA 1 37 LYS HB3 5.890 . 5.890 4.896 4.586 5.204 . 0 0 "[ . 1 . 2]" 1
880 1 36 THR HB 1 37 LYS H 4.590 . 4.590 3.175 1.916 4.521 . 0 0 "[ . 1 . 2]" 1
881 1 36 THR HB 1 38 TYR QD 5.890 . 5.890 2.832 1.795 4.444 . 0 0 "[ . 1 . 2]" 1
882 1 36 THR HB 1 38 TYR QE 4.890 . 4.890 3.069 1.936 4.037 . 0 0 "[ . 1 . 2]" 1
883 1 36 THR MG 1 37 LYS H 4.460 . 4.460 3.482 2.800 3.877 . 0 0 "[ . 1 . 2]" 1
884 1 36 THR MG 1 37 LYS HA 5.890 . 5.890 4.803 3.725 5.613 . 0 0 "[ . 1 . 2]" 1
885 1 36 THR MG 1 38 TYR H 5.890 . 5.890 4.882 3.755 5.893 0.003 12 0 "[ . 1 . 2]" 1
886 1 36 THR MG 1 38 TYR QD 4.700 . 4.700 2.760 1.659 3.829 . 0 0 "[ . 1 . 2]" 1
887 1 36 THR MG 1 38 TYR QE 4.520 . 4.520 2.983 2.064 3.731 . 0 0 "[ . 1 . 2]" 1
888 1 37 LYS H 1 37 LYS QD 5.890 . 5.890 5.171 4.304 5.589 . 0 0 "[ . 1 . 2]" 1
889 1 37 LYS H 1 37 LYS QE 5.890 . 5.890 5.074 4.112 6.029 0.139 9 0 "[ . 1 . 2]" 1
890 1 37 LYS H 1 37 LYS QG 5.100 . 5.100 4.173 3.969 4.355 . 0 0 "[ . 1 . 2]" 1
891 1 37 LYS H 1 38 TYR H 5.740 . 5.740 3.707 3.264 4.392 . 0 0 "[ . 1 . 2]" 1
892 1 37 LYS H 1 38 TYR QD 5.890 . 5.890 3.596 3.060 4.220 . 0 0 "[ . 1 . 2]" 1
893 1 37 LYS HA 1 38 TYR H 3.650 . 3.650 2.172 2.094 2.240 . 0 0 "[ . 1 . 2]" 1
894 1 37 LYS HA 1 38 TYR QD 5.020 . 5.020 3.872 3.370 4.430 . 0 0 "[ . 1 . 2]" 1
895 1 37 LYS HA 1 38 TYR QE 5.890 . 5.890 4.759 4.315 5.191 . 0 0 "[ . 1 . 2]" 1
896 1 37 LYS QB 1 38 TYR H 4.540 . 4.540 3.955 3.750 4.054 . 0 0 "[ . 1 . 2]" 1
897 1 37 LYS HB2 1 38 TYR H 5.380 . 5.380 4.497 4.223 4.648 . 0 0 "[ . 1 . 2]" 1
898 1 37 LYS HB3 1 38 TYR H 5.380 . 5.380 4.389 4.174 4.517 . 0 0 "[ . 1 . 2]" 1
899 1 37 LYS QG 1 38 TYR H 4.870 . 4.870 3.474 2.824 4.136 . 0 0 "[ . 1 . 2]" 1
900 1 38 TYR H 1 38 TYR QD 4.420 . 4.420 2.913 2.597 3.219 . 0 0 "[ . 1 . 2]" 1
901 1 38 TYR H 1 38 TYR QE 5.890 . 5.890 4.110 3.917 4.262 . 0 0 "[ . 1 . 2]" 1
902 1 38 TYR H 1 40 LEU MD1 5.890 . 5.890 5.004 4.796 5.188 . 0 0 "[ . 1 . 2]" 1
903 1 38 TYR HA 1 38 TYR QD 4.270 . 4.270 3.757 3.710 3.792 . 0 0 "[ . 1 . 2]" 1
904 1 38 TYR HA 1 39 THR H 3.550 . 3.550 2.297 2.190 2.377 . 0 0 "[ . 1 . 2]" 1
905 1 38 TYR HB2 1 39 THR H 4.680 . 4.680 2.835 2.578 3.126 . 0 0 "[ . 1 . 2]" 1
906 1 38 TYR HB2 1 40 LEU MD1 5.060 . 5.060 3.069 2.694 3.428 . 0 0 "[ . 1 . 2]" 1
907 1 38 TYR HB2 1 40 LEU MD2 5.770 . 5.770 5.542 5.151 5.827 0.057 8 0 "[ . 1 . 2]" 1
908 1 38 TYR HB2 1 40 LEU HG 5.890 . 5.890 5.233 5.034 5.466 . 0 0 "[ . 1 . 2]" 1
909 1 38 TYR HB3 1 39 THR H 4.520 . 4.520 3.842 3.703 4.016 . 0 0 "[ . 1 . 2]" 1
910 1 38 TYR HB3 1 40 LEU MD1 4.740 . 4.740 4.433 4.097 4.751 0.011 13 0 "[ . 1 . 2]" 1
911 1 38 TYR QD 1 39 THR H 4.900 . 4.900 4.130 3.874 4.440 . 0 0 "[ . 1 . 2]" 1
912 1 38 TYR QD 1 39 THR MG 5.890 . 5.890 5.851 5.630 6.070 0.180 12 0 "[ . 1 . 2]" 1
913 1 38 TYR QD 1 40 LEU H 5.890 . 5.890 4.165 3.735 4.588 . 0 0 "[ . 1 . 2]" 1
914 1 38 TYR QD 1 40 LEU QB 4.630 . 4.630 4.430 4.158 4.658 0.028 18 0 "[ . 1 . 2]" 1
915 1 38 TYR QD 1 40 LEU MD1 4.830 . 4.830 1.948 1.815 2.071 . 0 0 "[ . 1 . 2]" 1
916 1 38 TYR QD 1 40 LEU MD2 5.220 . 5.220 4.156 3.807 4.403 . 0 0 "[ . 1 . 2]" 1
917 1 38 TYR QD 1 40 LEU HG 5.890 . 5.890 4.431 4.001 4.803 . 0 0 "[ . 1 . 2]" 1
918 1 38 TYR QE 1 40 LEU QB 4.920 . 4.920 5.133 4.988 5.277 0.357 18 0 "[ . 1 . 2]" 1
919 1 38 TYR QE 1 40 LEU MD1 4.110 . 4.110 2.833 2.423 3.270 . 0 0 "[ . 1 . 2]" 1
920 1 38 TYR QE 1 40 LEU MD2 5.780 . 5.780 4.208 3.949 4.462 . 0 0 "[ . 1 . 2]" 1
921 1 39 THR H 1 39 THR HB 4.070 . 4.070 2.723 2.610 2.846 . 0 0 "[ . 1 . 2]" 1
922 1 39 THR H 1 39 THR MG 4.720 . 4.720 3.920 3.868 3.966 . 0 0 "[ . 1 . 2]" 1
923 1 39 THR H 1 40 LEU H 5.590 . 5.590 4.136 3.962 4.282 . 0 0 "[ . 1 . 2]" 1
924 1 39 THR H 1 40 LEU MD1 5.250 . 5.250 3.720 3.352 4.258 . 0 0 "[ . 1 . 2]" 1
925 1 39 THR H 1 40 LEU HG 5.750 . 5.750 5.734 5.588 5.828 0.078 10 0 "[ . 1 . 2]" 1
926 1 39 THR HA 1 40 LEU H 3.700 . 3.700 2.161 2.116 2.199 . 0 0 "[ . 1 . 2]" 1
927 1 39 THR HB 1 40 LEU H 5.680 . 5.680 4.364 4.243 4.446 . 0 0 "[ . 1 . 2]" 1
928 1 39 THR MG 1 40 LEU H 4.420 . 4.420 3.167 2.907 3.344 . 0 0 "[ . 1 . 2]" 1
929 1 39 THR MG 1 40 LEU HA 5.330 . 5.330 4.229 3.821 4.548 . 0 0 "[ . 1 . 2]" 1
930 1 39 THR MG 1 40 LEU QB 5.450 . 5.450 4.615 4.459 4.772 . 0 0 "[ . 1 . 2]" 1
931 1 39 THR MG 1 41 CYS H 5.890 . 5.890 4.060 3.408 5.069 . 0 0 "[ . 1 . 2]" 1
932 1 40 LEU H 1 40 LEU MD1 4.890 . 4.890 2.567 2.101 2.921 . 0 0 "[ . 1 . 2]" 1
933 1 40 LEU H 1 40 LEU MD2 5.230 . 5.230 4.304 4.143 4.516 . 0 0 "[ . 1 . 2]" 1
934 1 40 LEU H 1 40 LEU HG 4.870 . 4.870 4.024 3.640 4.338 . 0 0 "[ . 1 . 2]" 1
935 1 40 LEU H 1 41 CYS H 5.890 . 5.890 4.236 3.974 4.547 . 0 0 "[ . 1 . 2]" 1
936 1 40 LEU H 1 41 CYS QB 5.710 . 5.710 5.710 4.880 5.942 0.232 2 0 "[ . 1 . 2]" 1
937 1 40 LEU HA 1 40 LEU MD2 4.500 . 4.500 3.751 3.636 3.834 . 0 0 "[ . 1 . 2]" 1
938 1 40 LEU HB2 1 41 CYS H 5.890 . 5.890 4.468 3.437 4.614 . 0 0 "[ . 1 . 2]" 1
939 1 40 LEU HB3 1 41 CYS H 5.890 . 5.890 3.683 2.149 3.971 . 0 0 "[ . 1 . 2]" 1
940 1 40 LEU MD1 1 41 CYS H 5.610 . 5.610 4.730 4.539 4.921 . 0 0 "[ . 1 . 2]" 1
941 1 40 LEU MD2 1 41 CYS H 5.250 . 5.250 5.044 3.882 5.291 0.041 18 0 "[ . 1 . 2]" 1
942 1 40 LEU HG 1 41 CYS H 5.890 . 5.890 4.358 4.055 4.631 . 0 0 "[ . 1 . 2]" 1
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