NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
469415 |
1afp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1afp
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 824
_Distance_constraint_stats_list.Viol_count 2259
_Distance_constraint_stats_list.Viol_total 4794.339
_Distance_constraint_stats_list.Viol_max 0.392
_Distance_constraint_stats_list.Viol_rms 0.0199
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0531
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 2 THR 5.936 0.159 15 0 "[ . 1 . 2 . 3 . 4]"
1 3 TYR 1.221 0.070 30 0 "[ . 1 . 2 . 3 . 4]"
1 4 ASN 1.230 0.121 8 0 "[ . 1 . 2 . 3 . 4]"
1 5 GLY 0.857 0.053 2 0 "[ . 1 . 2 . 3 . 4]"
1 6 LYS 2.902 0.091 4 0 "[ . 1 . 2 . 3 . 4]"
1 7 CYS 3.699 0.143 5 0 "[ . 1 . 2 . 3 . 4]"
1 8 TYR 4.575 0.253 33 0 "[ . 1 . 2 . 3 . 4]"
1 9 LYS 12.923 0.320 5 0 "[ . 1 . 2 . 3 . 4]"
1 10 LYS 4.077 0.117 22 0 "[ . 1 . 2 . 3 . 4]"
1 11 ASP 1.605 0.114 27 0 "[ . 1 . 2 . 3 . 4]"
1 12 ASN 5.992 0.223 14 0 "[ . 1 . 2 . 3 . 4]"
1 13 ILE 2.027 0.115 21 0 "[ . 1 . 2 . 3 . 4]"
1 14 CYS 2.926 0.113 37 0 "[ . 1 . 2 . 3 . 4]"
1 15 LYS 4.882 0.231 11 0 "[ . 1 . 2 . 3 . 4]"
1 16 TYR 3.539 0.327 29 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 2.167 0.072 16 0 "[ . 1 . 2 . 3 . 4]"
1 18 ALA 0.765 0.180 29 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLN 3.236 0.101 38 0 "[ . 1 . 2 . 3 . 4]"
1 20 SER 9.855 0.185 18 0 "[ . 1 . 2 . 3 . 4]"
1 21 GLY 1.300 0.080 35 0 "[ . 1 . 2 . 3 . 4]"
1 22 LYS 2.856 0.139 5 0 "[ . 1 . 2 . 3 . 4]"
1 23 THR 5.216 0.344 19 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 4.003 0.327 29 0 "[ . 1 . 2 . 3 . 4]"
1 25 ILE 8.046 0.392 29 0 "[ . 1 . 2 . 3 . 4]"
1 26 CYS 0.810 0.068 16 0 "[ . 1 . 2 . 3 . 4]"
1 27 LYS 4.976 0.143 36 0 "[ . 1 . 2 . 3 . 4]"
1 28 CYS 9.020 0.143 36 0 "[ . 1 . 2 . 3 . 4]"
1 29 TYR 4.350 0.159 8 0 "[ . 1 . 2 . 3 . 4]"
1 30 VAL 2.912 0.214 38 0 "[ . 1 . 2 . 3 . 4]"
1 31 LYS 2.783 0.214 38 0 "[ . 1 . 2 . 3 . 4]"
1 32 LYS 9.411 0.298 20 0 "[ . 1 . 2 . 3 . 4]"
1 33 CYS 12.270 0.223 14 0 "[ . 1 . 2 . 3 . 4]"
1 34 PRO 2.122 0.160 9 0 "[ . 1 . 2 . 3 . 4]"
1 35 ARG 4.303 0.181 40 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 8.306 0.277 27 0 "[ . 1 . 2 . 3 . 4]"
1 37 GLY 2.077 0.091 4 0 "[ . 1 . 2 . 3 . 4]"
1 38 ALA 1.903 0.181 40 0 "[ . 1 . 2 . 3 . 4]"
1 39 LYS 9.744 0.156 22 0 "[ . 1 . 2 . 3 . 4]"
1 40 CYS 11.163 0.156 22 0 "[ . 1 . 2 . 3 . 4]"
1 41 GLU 2.377 0.264 38 0 "[ . 1 . 2 . 3 . 4]"
1 42 PHE 2.569 0.162 39 0 "[ . 1 . 2 . 3 . 4]"
1 43 ASP 2.749 0.137 16 0 "[ . 1 . 2 . 3 . 4]"
1 44 SER 0.858 0.070 30 0 "[ . 1 . 2 . 3 . 4]"
1 45 TYR 0.855 0.131 27 0 "[ . 1 . 2 . 3 . 4]"
1 46 LYS 1.072 0.174 26 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLY 0.182 0.094 8 0 "[ . 1 . 2 . 3 . 4]"
1 48 LYS 2.525 0.182 39 0 "[ . 1 . 2 . 3 . 4]"
1 49 CYS 0.676 0.182 39 0 "[ . 1 . 2 . 3 . 4]"
1 50 TYR 1.568 0.264 38 0 "[ . 1 . 2 . 3 . 4]"
1 51 CYS 1.274 0.166 8 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA MB 1 3 TYR CG . . 7.100 5.390 4.895 5.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 1 ALA MB 1 3 TYR CZ . . 6.020 4.078 3.393 4.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 1 ALA MB 1 44 SER HA . . 6.000 4.782 4.565 4.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 2 THR H 1 2 THR HB . . 3.300 2.794 2.584 3.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 2 THR HA 1 2 THR HB . . 2.900 3.018 2.961 3.059 0.159 15 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 2 THR HA 1 2 THR MG . . 3.600 2.179 2.075 2.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 2 THR HA 1 3 TYR CG . . 5.930 4.249 3.913 4.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 2 THR HA 1 3 TYR H . . 3.300 2.228 2.152 2.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 2 THR HA 1 42 PHE CG . . 6.510 5.384 5.138 5.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 2 THR HA 1 43 ASP HA . . 2.820 2.831 2.597 2.957 0.137 16 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 2 THR HA 1 44 SER H . . 3.500 3.155 2.705 3.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 2 THR HA 1 44 SER QB . . 5.360 3.751 3.326 4.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 2 THR HB 1 3 TYR H . . 4.050 3.840 3.162 4.101 0.051 40 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 2 THR HB 1 41 GLU HB2 . . 5.000 3.624 3.015 4.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 2 THR HB 1 41 GLU QB . . 4.680 3.276 2.929 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 2 THR HB 1 41 GLU HB3 . . 5.000 3.984 3.158 4.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 2 THR HB 1 41 GLU QG . . 5.380 4.711 4.170 4.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 2 THR HB 1 43 ASP HA . . 5.000 4.513 4.119 4.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 2 THR MG 1 3 TYR CG . . 7.200 5.053 4.711 5.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 2 THR MG 1 3 TYR HA . . 6.000 4.607 4.245 4.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 2 THR MG 1 4 ASN HD21 . . 6.000 4.386 3.668 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 2 THR MG 1 4 ASN HD22 . . 6.000 4.360 3.288 4.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 2 THR MG 1 41 GLU HA . . 5.000 3.783 3.241 4.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 2 THR MG 1 41 GLU HB2 . . 4.420 1.992 1.796 2.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 2 THR MG 1 41 GLU HB3 . . 4.420 2.966 1.851 3.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 2 THR MG 1 41 GLU HG2 . . 5.000 3.842 3.331 4.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 2 THR MG 1 41 GLU HG3 . . 5.000 3.339 2.601 4.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 2 THR MG 1 42 PHE H . . 5.150 2.991 2.543 3.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 2 THR MG 1 43 ASP QB . . 6.220 3.226 2.718 3.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 2 THR MG 1 44 SER H . . 4.500 3.541 3.211 3.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 3 TYR CG 1 4 ASN H . . 6.700 4.544 3.944 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 3 TYR CG 1 16 TYR CG . . 8.300 5.222 4.274 5.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 3 TYR CG 1 16 TYR CZ . . 8.440 5.564 4.238 6.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 3 TYR CG 1 18 ALA HA . . 5.850 4.007 2.536 5.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 3 TYR CG 1 18 ALA MB . . 7.430 5.242 4.044 6.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 3 TYR CG 1 42 PHE CZ . . 8.600 6.341 5.639 6.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 3 TYR CG 1 42 PHE H . . 7.200 4.407 3.780 5.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 3 TYR CG 1 42 PHE HB2 . . 6.310 4.999 4.168 5.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 3 TYR CG 1 42 PHE QB . . 6.180 3.315 2.580 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 3 TYR CG 1 42 PHE HB3 . . 6.310 3.366 2.605 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 3 TYR CG 1 44 SER H . . 6.700 6.227 5.510 6.701 0.001 4 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 3 TYR CG 1 44 SER QB . . 8.080 4.907 4.219 5.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 3 TYR CZ 1 3 TYR H . . 7.200 4.859 4.296 5.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 3 TYR CZ 1 18 ALA MB . . 8.200 4.819 3.677 6.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 3 TYR CZ 1 19 GLN H . . 6.380 3.700 2.340 5.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 3 TYR CZ 1 19 GLN HA . . 5.230 4.628 2.392 5.259 0.029 13 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 3 TYR CZ 1 19 GLN HB2 . . 6.200 3.399 2.385 5.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 3 TYR CZ 1 19 GLN QB . . 6.060 3.142 2.364 4.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 3 TYR CZ 1 19 GLN HB3 . . 6.200 4.348 2.896 6.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 3 TYR CZ 1 19 GLN QG . . 6.960 4.427 2.501 6.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 3 TYR CZ 1 44 SER H . . 6.700 5.921 5.045 6.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 3 TYR CZ 1 44 SER HA . . 5.700 5.580 4.763 5.770 0.070 30 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 3 TYR CZ 1 44 SER HB2 . . 6.700 4.521 3.432 5.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 3 TYR CZ 1 44 SER QB . . 6.160 3.664 2.899 4.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 3 TYR CZ 1 44 SER HB3 . . 6.700 3.936 2.947 5.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 3 TYR H 1 42 PHE CG . . 7.200 4.399 4.109 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 3 TYR H 1 42 PHE H . . 4.090 2.486 2.116 3.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 3 TYR H 1 42 PHE HB2 . . 5.000 4.350 4.117 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 3 TYR H 1 42 PHE HB3 . . 5.000 2.809 2.547 3.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 3 TYR QB 1 4 ASN H . . 3.930 2.858 1.907 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 3 TYR QB 1 16 TYR CG . . 6.380 3.475 2.586 4.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 3 TYR QB 1 16 TYR QB . . 6.570 2.820 2.067 3.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 3 TYR QB 1 42 PHE CG . . 6.240 3.904 3.340 4.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 3 TYR QB 1 42 PHE H . . 4.550 2.641 2.092 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 3 TYR QB 1 42 PHE QB . . 4.100 2.018 1.942 2.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 3 TYR HB2 1 4 ASN H . . 4.500 3.752 2.735 4.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 3 TYR HB2 1 16 TYR CZ . . 7.200 4.657 3.352 5.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 3 TYR HB2 1 16 TYR HB2 . . 7.750 3.456 2.573 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 3 TYR HB2 1 16 TYR HB3 . . 7.750 4.364 3.464 5.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 3 TYR HB2 1 42 PHE CG . . 6.590 3.991 3.395 4.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 3 TYR HB2 1 42 PHE H . . 5.000 2.675 2.103 3.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 3 TYR HB2 1 42 PHE HB2 . . 5.000 3.402 3.060 3.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 3 TYR HB2 1 42 PHE HB3 . . 5.000 2.046 1.961 2.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 3 TYR HB3 1 4 ASN H . . 4.500 2.982 1.943 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 3 TYR HB3 1 16 TYR CZ . . 7.200 5.516 3.741 6.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 3 TYR HB3 1 16 TYR HB2 . . 7.750 3.129 2.159 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 3 TYR HB3 1 16 TYR HB3 . . 7.750 4.568 3.273 5.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 3 TYR HB3 1 42 PHE CG . . 6.590 5.541 4.959 5.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 3 TYR HB3 1 42 PHE H . . 5.000 4.147 3.667 4.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 3 TYR HB3 1 42 PHE HB2 . . 5.000 4.947 4.571 5.069 0.069 39 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 3 TYR HB3 1 42 PHE HB3 . . 5.000 3.688 3.462 3.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 4 ASN H 1 4 ASN HB2 . . 3.900 2.750 2.283 3.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 4 ASN H 1 4 ASN QB . . 3.480 2.672 2.257 2.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 4 ASN H 1 4 ASN HB3 . . 3.900 3.681 3.529 3.935 0.035 39 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 4 ASN H 1 4 ASN HD21 . . 5.000 3.034 1.893 4.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 4 ASN H 1 4 ASN HD22 . . 5.000 3.933 3.044 4.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 4 ASN H 1 17 LYS H . . 5.000 4.867 3.619 5.072 0.072 16 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 4 ASN HA 1 5 GLY H . . 2.600 2.413 2.262 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 4 ASN HA 1 41 GLU HA . . 2.920 2.239 1.988 2.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 4 ASN HA 1 41 GLU HB2 . . 5.000 4.232 3.710 5.035 0.035 8 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 4 ASN HA 1 41 GLU QB . . 4.440 2.960 2.425 3.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 4 ASN HA 1 41 GLU HB3 . . 5.000 3.026 2.457 3.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 4 ASN HA 1 41 GLU QG . . 5.180 4.328 2.036 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 4 ASN HA 1 42 PHE H . . 3.900 3.800 3.450 4.021 0.121 8 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 4 ASN QB 1 5 GLY H . . 3.830 2.782 2.402 3.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 4 ASN QB 1 5 GLY QA . . 6.250 3.639 3.550 3.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 4 ASN QB 1 39 LYS QG . . 4.590 3.318 3.014 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 4 ASN HB2 1 5 GLY H . . 4.200 3.734 3.194 4.228 0.028 2 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 4 ASN HB3 1 5 GLY H . . 4.200 2.884 2.434 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 5 GLY H 1 6 LYS H . . 5.000 4.086 3.706 4.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 5 GLY H 1 16 TYR HB2 . . 5.000 4.685 4.063 5.038 0.038 20 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 5 GLY H 1 16 TYR QB . . 4.680 3.866 3.427 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 5 GLY H 1 16 TYR HB3 . . 5.000 4.135 3.647 4.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 5 GLY H 1 39 LYS QG . . 4.760 2.856 2.520 3.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 5 GLY H 1 40 CYS H . . 3.430 2.507 2.334 2.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 5 GLY H 1 41 GLU HA . . 3.710 3.694 3.365 3.763 0.053 2 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 5 GLY H 1 41 GLU QB . . 5.880 4.716 4.341 5.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 5 GLY QA 1 15 LYS H . . 5.880 4.873 4.550 5.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 5 GLY QA 1 16 TYR HA . . 3.430 2.405 1.950 2.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 5 GLY QA 1 16 TYR QB . . 4.120 2.365 1.885 3.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 5 GLY QA 1 17 LYS H . . 5.380 3.806 3.447 4.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 5 GLY HA2 1 16 TYR HA . . 3.850 3.457 3.083 3.858 0.008 35 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 5 GLY HA2 1 16 TYR HB2 . . 5.000 4.363 3.630 5.015 0.015 24 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 5 GLY HA2 1 16 TYR HB3 . . 5.000 4.104 3.542 4.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 5 GLY HA3 1 16 TYR HA . . 3.850 2.458 1.972 2.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 5 GLY HA3 1 16 TYR HB2 . . 5.000 3.220 2.482 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 5 GLY HA3 1 16 TYR HB3 . . 5.000 2.483 1.969 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 6 LYS H 1 6 LYS HB2 . . 4.100 2.914 2.646 3.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 6 LYS H 1 6 LYS QB . . 3.710 2.836 2.596 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 6 LYS H 1 6 LYS HB3 . . 4.100 3.895 3.763 3.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 6 LYS H 1 6 LYS QD . . 5.250 4.163 2.209 4.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 6 LYS H 1 6 LYS QG . . 4.150 2.949 2.548 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 6 LYS H 1 8 TYR CZ . . 7.200 6.612 6.033 7.239 0.039 13 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 6 LYS H 1 15 LYS H . . 3.560 3.470 3.173 3.639 0.079 22 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 6 LYS H 1 15 LYS QB . . 5.290 3.792 2.980 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 6 LYS H 1 16 TYR QB . . 5.880 3.669 3.023 4.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 6 LYS HA 1 6 LYS QD . . 4.500 3.951 3.107 4.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 6 LYS HA 1 7 CYS H . . 2.500 2.437 2.299 2.535 0.035 18 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 6 LYS HA 1 7 CYS HA . . 5.000 4.416 4.361 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 6 LYS HA 1 39 LYS HA . . 2.920 2.188 2.023 2.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 6 LYS HA 1 40 CYS H . . 3.240 3.149 2.924 3.265 0.025 4 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 6 LYS QB 1 7 CYS H . . 3.850 2.566 2.370 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 6 LYS QB 1 8 TYR CZ . . 5.900 4.387 3.657 5.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 6 LYS QB 1 37 GLY H . . 4.600 2.985 2.623 3.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 6 LYS QB 1 37 GLY QA . . 3.560 2.197 1.992 2.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 6 LYS HB2 1 7 CYS H . . 4.100 3.599 3.187 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 6 LYS HB2 1 8 TYR CZ . . 6.310 4.654 3.837 5.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 6 LYS HB2 1 37 GLY H . . 5.000 4.000 3.511 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 6 LYS HB2 1 37 GLY HA2 . . 4.950 3.272 2.992 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 6 LYS HB2 1 37 GLY HA3 . . 4.950 4.989 4.681 5.041 0.091 4 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 6 LYS HB3 1 7 CYS H . . 4.100 2.630 2.407 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 6 LYS HB3 1 8 TYR CZ . . 6.310 5.396 4.608 6.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 6 LYS HB3 1 37 GLY H . . 5.000 3.091 2.681 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 6 LYS HB3 1 37 GLY HA2 . . 4.950 2.257 2.022 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 6 LYS HB3 1 37 GLY HA3 . . 4.950 3.731 3.565 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 6 LYS QD 1 7 CYS H . . 5.380 4.789 4.587 4.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 6 LYS QG 1 37 GLY H . . 6.000 4.973 4.418 5.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 6 LYS QG 1 37 GLY QA . . 5.300 3.416 2.603 3.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 6 LYS QG 1 39 LYS QG . . 4.620 3.612 3.341 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 6 LYS HG2 1 37 GLY HA2 . . 6.250 3.684 2.705 4.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 6 LYS HG2 1 37 GLY HA3 . . 6.250 4.811 3.884 5.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 6 LYS HG3 1 37 GLY HA2 . . 6.250 4.517 3.869 4.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 6 LYS HG3 1 37 GLY HA3 . . 6.250 5.929 4.886 6.276 0.026 3 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 7 CYS H 1 7 CYS HB2 . . 4.000 3.657 3.244 3.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 7 CYS H 1 7 CYS HB3 . . 4.000 3.416 2.534 3.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 7 CYS H 1 15 LYS H . . 4.500 4.516 4.266 4.643 0.143 5 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 7 CYS H 1 38 ALA H . . 3.790 3.493 3.261 3.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 7 CYS H 1 38 ALA MB . . 5.120 3.026 2.878 3.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 7 CYS H 1 39 LYS HA . . 4.050 3.999 3.782 4.141 0.091 10 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 7 CYS H 1 40 CYS H . . 5.000 5.003 4.748 5.078 0.078 35 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 7 CYS HA 1 8 TYR CG . . 5.820 4.353 4.091 4.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 7 CYS HA 1 8 TYR H . . 2.800 2.464 2.374 2.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 7 CYS HA 1 14 CYS HA . . 3.520 2.215 1.925 2.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 7 CYS HA 1 14 CYS QB . . 5.880 4.147 3.719 5.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 7 CYS HA 1 15 LYS H . . 3.580 2.451 2.062 2.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 7 CYS HA 1 33 CYS QB . . 5.880 4.466 4.037 5.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 7 CYS HA 1 38 ALA MB . . 6.000 4.837 4.742 4.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 7 CYS QB 1 8 TYR H . . 3.780 2.599 2.234 3.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 7 CYS QB 1 13 ILE HA . . 5.320 4.500 4.192 4.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 7 CYS QB 1 15 LYS H . . 5.380 3.520 3.043 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 7 CYS QB 1 33 CYS QB . . 4.640 2.345 1.938 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 7 CYS QB 1 37 GLY H . . 5.880 5.317 5.106 5.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 7 CYS QB 1 38 ALA MB . . 6.330 3.618 2.895 3.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 7 CYS QB 1 40 CYS QB . . 4.730 3.134 2.485 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 7 CYS HB2 1 8 TYR H . . 4.150 2.681 2.259 3.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 7 CYS HB2 1 33 CYS HB2 . . 5.910 2.592 1.956 4.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 7 CYS HB2 1 33 CYS HB3 . . 5.910 3.754 2.306 5.911 0.001 40 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 7 CYS HB2 1 40 CYS HB2 . . 5.670 5.075 3.936 5.692 0.022 5 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 7 CYS HB2 1 40 CYS HB3 . . 5.670 4.665 3.143 5.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 7 CYS HB3 1 8 TYR H . . 4.150 3.638 3.425 3.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 7 CYS HB3 1 33 CYS HB2 . . 5.910 4.026 3.574 5.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 7 CYS HB3 1 33 CYS HB3 . . 5.910 5.231 3.925 6.003 0.093 38 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 7 CYS HB3 1 40 CYS HB2 . . 5.670 3.937 3.188 4.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 7 CYS HB3 1 40 CYS HB3 . . 5.670 3.468 2.626 3.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 8 TYR CG 1 9 LYS H . . 5.700 4.570 4.139 4.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 8 TYR CG 1 13 ILE H . . 6.620 4.743 4.286 4.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 8 TYR CG 1 13 ILE MD . . 6.540 3.146 2.647 3.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 8 TYR CG 1 13 ILE HG12 . . 7.200 5.195 4.708 5.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 8 TYR CG 1 13 ILE QG . . 6.660 4.104 3.629 4.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 8 TYR CG 1 13 ILE HG13 . . 7.200 4.304 3.774 5.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 8 TYR CG 1 13 ILE MG . . 7.700 6.170 5.785 6.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 8 TYR CG 1 15 LYS H . . 7.200 5.692 5.053 6.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 8 TYR CG 1 15 LYS HB2 . . 7.200 5.772 4.241 7.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 8 TYR CG 1 15 LYS QB . . 6.900 5.105 4.051 5.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 8 TYR CG 1 15 LYS HB3 . . 7.200 6.160 4.898 7.217 0.017 17 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 8 TYR CG 1 15 LYS QE . . 6.470 4.947 2.345 5.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 8 TYR CG 1 15 LYS HG2 . . 6.700 5.948 4.436 6.860 0.160 33 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 8 TYR CG 1 15 LYS QG . . 6.160 4.939 4.012 5.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 8 TYR CG 1 15 LYS HG3 . . 6.700 5.618 4.513 6.759 0.059 35 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 8 TYR CG 1 33 CYS HB2 . . 6.700 6.264 5.964 6.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 8 TYR CG 1 33 CYS HB3 . . 6.700 6.197 5.910 6.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 8 TYR CG 1 36 ASP QB . . 6.700 3.793 3.437 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 8 TYR CG 1 37 GLY H . . 6.080 4.112 3.509 4.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 8 TYR CZ 1 11 ASP QB . . 6.300 5.592 5.418 5.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 8 TYR CZ 1 15 LYS H . . 6.050 5.714 4.840 6.065 0.015 10 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 8 TYR CZ 1 15 LYS HB2 . . 5.700 4.709 3.220 5.781 0.081 36 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 8 TYR CZ 1 15 LYS HB3 . . 5.700 5.072 3.440 5.761 0.061 11 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 8 TYR CZ 1 15 LYS QD . . 6.340 3.101 2.228 5.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 8 TYR CZ 1 15 LYS QE . . 6.910 3.622 2.583 4.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 8 TYR CZ 1 15 LYS HG2 . . 6.700 5.142 3.216 6.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 8 TYR CZ 1 15 LYS QG . . 6.160 4.334 3.118 5.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 8 TYR CZ 1 15 LYS HG3 . . 6.700 4.930 3.780 5.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 8 TYR CZ 1 36 ASP H . . 7.200 7.270 6.858 7.453 0.253 33 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 8 TYR CZ 1 36 ASP QB . . 7.200 4.743 4.097 5.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 8 TYR CZ 1 37 GLY H . . 6.000 4.328 3.620 4.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 8 TYR H 1 8 TYR HB2 . . 4.000 2.427 2.252 2.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 8 TYR H 1 8 TYR QB . . 3.800 2.391 2.227 2.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 8 TYR H 1 8 TYR HB3 . . 4.000 3.620 3.513 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 8 TYR H 1 13 ILE H . . 3.770 2.364 2.227 2.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 8 TYR H 1 13 ILE MD . . 5.330 2.503 1.920 3.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 8 TYR H 1 13 ILE QG . . 5.330 3.284 2.859 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 8 TYR H 1 14 CYS HA . . 4.500 3.796 3.480 4.556 0.056 33 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 8 TYR HA 1 9 LYS H . . 2.700 2.275 2.191 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 8 TYR HA 1 37 GLY H . . 4.000 3.424 3.166 3.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 8 TYR QB 1 10 LYS H . . 4.680 3.494 3.144 3.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 8 TYR QB 1 13 ILE H . . 5.380 2.859 2.341 3.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 8 TYR QB 1 13 ILE QG . . 5.140 2.516 2.104 3.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 8 TYR QB 1 36 ASP H . . 5.380 4.652 4.349 4.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 8 TYR QB 1 36 ASP HA . . 5.240 3.504 3.032 3.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 8 TYR HB2 1 10 LYS H . . 5.000 4.806 4.474 5.117 0.117 22 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 8 TYR HB2 1 13 ILE HG12 . . 6.750 3.900 3.405 4.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 8 TYR HB2 1 13 ILE HG13 . . 6.750 2.578 2.137 3.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 8 TYR HB3 1 10 LYS H . . 5.000 3.592 3.205 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 8 TYR HB3 1 13 ILE HG12 . . 6.750 5.408 4.765 6.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 8 TYR HB3 1 13 ILE HG13 . . 6.750 4.200 3.637 5.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 9 LYS H 1 9 LYS HB2 . . 3.500 3.160 2.006 3.685 0.185 13 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 9 LYS H 1 9 LYS HB3 . . 3.500 2.851 2.449 3.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 9 LYS H 1 9 LYS QD . . 5.200 3.799 3.494 4.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 9 LYS H 1 9 LYS HG2 . . 4.000 3.119 1.907 4.320 0.320 5 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 9 LYS H 1 9 LYS HG3 . . 4.000 2.581 1.791 3.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 9 LYS H 1 10 LYS H . . 3.550 2.596 2.096 3.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 9 LYS H 1 36 ASP HA . . 3.200 3.142 2.863 3.340 0.140 6 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 9 LYS H 1 36 ASP HB2 . . 4.500 3.937 3.215 4.671 0.171 27 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 9 LYS H 1 36 ASP HB3 . . 4.500 4.529 3.986 4.597 0.097 22 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 9 LYS HA 1 9 LYS QD . . 4.900 3.951 3.596 4.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 9 LYS HA 1 9 LYS QE . . 5.100 4.458 4.011 4.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 9 LYS HA 1 12 ASN H . . 3.920 3.018 2.628 3.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 9 LYS HA 1 12 ASN HA . . 3.620 2.721 2.497 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 9 LYS HA 1 12 ASN QB . . 4.380 3.737 3.478 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 9 LYS HA 1 33 CYS H . . 4.180 3.209 2.686 3.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 9 LYS HA 1 33 CYS HB2 . . 3.500 3.281 1.882 3.661 0.161 36 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 9 LYS HA 1 33 CYS QB . . 3.060 1.938 1.872 2.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 9 LYS HA 1 33 CYS HB3 . . 3.500 2.125 1.878 3.651 0.151 37 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 9 LYS QB 1 10 LYS H . . 3.600 3.066 2.135 3.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 9 LYS QB 1 35 ARG HA . . 4.160 2.512 1.974 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 9 LYS QB 1 36 ASP H . . 4.990 3.638 2.570 4.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 9 LYS HB2 1 10 LYS H . . 3.900 3.434 2.628 3.958 0.058 31 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 9 LYS HB3 1 10 LYS H . . 3.900 3.516 2.225 4.013 0.113 6 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 9 LYS QD 1 36 ASP H . . 4.670 3.937 2.930 4.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 9 LYS QE 1 35 ARG HA . . 4.760 3.789 1.795 4.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 9 LYS QG 1 10 LYS HA . . 5.880 4.210 2.902 5.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 9 LYS QG 1 35 ARG H . . 5.120 3.869 2.827 4.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 9 LYS QG 1 35 ARG HA . . 5.140 2.120 1.873 2.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 9 LYS HG2 1 10 LYS H . . 5.000 3.544 1.946 4.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 9 LYS HG3 1 10 LYS H . . 5.000 2.748 1.773 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 10 LYS H 1 10 LYS HB2 . . 3.100 2.065 2.002 2.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 10 LYS H 1 10 LYS HB3 . . 3.100 3.020 2.776 3.211 0.111 27 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 10 LYS H 1 11 ASP H . . 3.500 2.932 2.642 3.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 10 LYS H 1 12 ASN H . . 4.000 3.650 3.474 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 10 LYS HA 1 10 LYS QB . . 2.690 2.508 2.436 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 10 LYS HA 1 10 LYS QE . . 5.310 4.082 2.858 4.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 10 LYS HA 1 10 LYS HG2 . . 3.750 2.701 2.007 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 10 LYS HA 1 10 LYS QG . . 3.350 2.121 1.965 2.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 10 LYS HA 1 10 LYS HG3 . . 3.750 2.443 1.980 3.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 10 LYS HA 1 12 ASN H . . 4.400 4.069 3.805 4.456 0.056 11 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 10 LYS HB2 1 11 ASP H . . 3.500 3.502 3.334 3.614 0.114 27 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 10 LYS HB3 1 11 ASP H . . 3.500 2.720 1.926 3.538 0.038 27 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 11 ASP H 1 11 ASP HB2 . . 4.100 2.301 2.053 2.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 11 ASP H 1 11 ASP QB . . 3.690 2.252 2.034 2.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 11 ASP H 1 11 ASP HB3 . . 4.100 3.370 2.623 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 11 ASP H 1 12 ASN H . . 3.150 2.281 1.887 2.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 11 ASP H 1 12 ASN HA . . 5.000 4.402 3.980 4.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 11 ASP H 1 13 ILE H . . 5.000 4.404 3.938 5.033 0.033 32 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 11 ASP H 1 13 ILE QG . . 5.880 4.039 3.718 4.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 11 ASP HA 1 12 ASN QB . . 5.880 4.123 4.057 4.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 11 ASP QB 1 13 ILE H . . 5.150 3.219 2.830 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 11 ASP QB 1 13 ILE MD . . 5.280 2.934 1.943 3.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 11 ASP QB 1 13 ILE QG . . 5.250 1.775 1.658 1.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 11 ASP QB 1 13 ILE MG . . 4.950 2.703 2.140 3.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 11 ASP HB2 1 12 ASN H . . 4.200 3.398 2.937 4.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 11 ASP HB2 1 13 ILE MD . . 6.000 3.425 1.993 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 11 ASP HB2 1 13 ILE HG12 . . 6.750 3.355 2.958 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 11 ASP HB2 1 13 ILE HG13 . . 6.750 2.622 1.966 3.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 11 ASP HB2 1 13 ILE MG . . 5.500 4.059 3.759 4.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 11 ASP HB3 1 12 ASN H . . 4.200 3.806 2.990 4.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 11 ASP HB3 1 13 ILE MD . . 6.000 3.275 2.659 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 11 ASP HB3 1 13 ILE HG12 . . 6.750 2.213 1.965 3.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 11 ASP HB3 1 13 ILE HG13 . . 6.750 1.993 1.938 2.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 11 ASP HB3 1 13 ILE MG . . 5.500 2.756 2.152 3.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 12 ASN H 1 12 ASN HA . . 2.700 2.187 2.169 2.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 12 ASN H 1 12 ASN HB2 . . 3.950 3.017 2.780 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 12 ASN H 1 12 ASN QB . . 3.700 2.829 2.695 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 12 ASN H 1 12 ASN HB3 . . 3.950 3.473 3.220 3.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 12 ASN H 1 13 ILE H . . 3.350 3.099 2.868 3.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 12 ASN H 1 33 CYS QB . . 5.880 3.718 3.422 4.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 12 ASN HA 1 13 ILE H . . 2.850 2.640 2.536 2.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 12 ASN HA 1 33 CYS H . . 3.500 2.958 2.636 3.521 0.021 5 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 12 ASN HA 1 33 CYS QB . . 4.660 2.548 2.020 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 12 ASN QB 1 13 ILE QG . . 6.750 4.668 4.124 4.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 12 ASN QB 1 28 CYS H . . 5.880 4.165 3.395 4.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 12 ASN HB2 1 33 CYS H . . 5.000 4.098 3.762 5.018 0.018 17 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 12 ASN HB3 1 33 CYS H . . 5.000 5.063 4.545 5.223 0.223 14 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 12 ASN QD 1 13 ILE MG . . 6.870 4.719 4.105 4.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 12 ASN QD 1 28 CYS H . . 5.870 3.676 2.576 4.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 12 ASN QD 1 28 CYS QB . . 3.550 2.214 1.706 2.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 12 ASN QD 1 29 TYR HA . . 5.370 4.608 4.423 4.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 12 ASN QD 1 32 LYS HA . . 3.660 2.177 1.764 2.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 12 ASN QD 1 32 LYS QB . . 6.240 2.662 1.829 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 12 ASN QD 1 32 LYS QG . . 4.510 2.659 1.917 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 12 ASN QD 1 33 CYS H . . 4.680 2.750 1.847 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 12 ASN HD21 1 28 CYS HB2 . . 4.000 3.153 2.267 4.072 0.072 10 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 12 ASN HD21 1 28 CYS HB3 . . 4.000 3.550 2.451 4.031 0.031 2 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 12 ASN HD21 1 32 LYS HA . . 4.000 3.125 1.939 4.142 0.142 24 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 12 ASN HD21 1 32 LYS HG2 . . 5.250 4.259 3.064 5.326 0.076 10 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 12 ASN HD21 1 32 LYS HG3 . . 5.250 3.439 1.942 5.268 0.018 34 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 12 ASN HD21 1 33 CYS H . . 5.000 3.206 1.870 5.021 0.021 34 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 12 ASN HD22 1 28 CYS HB2 . . 4.000 2.794 1.984 3.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 12 ASN HD22 1 28 CYS HB3 . . 4.000 2.624 1.932 3.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 12 ASN HD22 1 32 LYS HA . . 4.000 2.260 1.907 2.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 12 ASN HD22 1 32 LYS HG2 . . 5.250 4.203 2.098 5.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 12 ASN HD22 1 32 LYS HG3 . . 5.250 3.474 1.961 5.258 0.008 22 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 12 ASN HD22 1 33 CYS H . . 5.000 3.483 2.717 4.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 13 ILE H 1 13 ILE HB . . 3.750 3.791 3.703 3.865 0.115 21 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 13 ILE H 1 13 ILE MD . . 4.850 2.858 1.939 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 13 ILE H 1 13 ILE HG12 . . 4.000 3.760 3.587 3.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 13 ILE H 1 13 ILE QG . . 3.490 2.146 1.922 2.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 13 ILE H 1 13 ILE HG13 . . 4.000 2.159 1.929 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 13 ILE H 1 13 ILE MG . . 4.300 3.292 3.093 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 13 ILE H 1 14 CYS H . . 5.000 4.390 4.337 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 13 ILE HA 1 13 ILE HB . . 2.900 2.521 2.444 2.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 13 ILE HA 1 13 ILE MG . . 3.700 2.170 2.044 2.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 13 ILE HA 1 14 CYS H . . 2.700 2.577 2.281 2.734 0.034 32 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 13 ILE HA 1 14 CYS QB . . 5.880 3.960 3.849 4.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 13 ILE HA 1 25 ILE MG . . 5.170 4.122 3.716 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 13 ILE HA 1 27 LYS HA . . 2.890 2.208 1.929 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 13 ILE HA 1 28 CYS H . . 3.190 2.152 1.930 2.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 13 ILE HB 1 14 CYS H . . 3.050 2.287 1.983 3.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 13 ILE HB 1 25 ILE MG . . 3.750 2.082 1.750 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 13 ILE HB 1 26 CYS H . . 4.500 3.169 2.345 3.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 13 ILE MD 1 14 CYS H . . 5.290 2.861 2.326 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 13 ILE MD 1 15 LYS H . . 6.000 3.087 2.525 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 13 ILE MD 1 26 CYS H . . 6.000 3.553 2.695 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 13 ILE MG 1 14 CYS H . . 4.370 3.540 3.295 3.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 13 ILE MG 1 26 CYS H . . 6.000 4.243 3.530 4.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 13 ILE MG 1 27 LYS H . . 5.500 3.270 2.616 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 13 ILE MG 1 27 LYS HA . . 3.940 1.873 1.765 2.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 13 ILE MG 1 27 LYS QG . . 5.480 2.735 1.929 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 13 ILE MG 1 28 CYS H . . 4.500 2.769 2.142 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 14 CYS H 1 14 CYS HB2 . . 3.400 3.113 2.099 3.457 0.057 18 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 14 CYS H 1 14 CYS QB . . 3.210 2.443 2.076 2.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 14 CYS H 1 14 CYS HB3 . . 3.400 2.746 2.182 3.441 0.041 5 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 14 CYS H 1 25 ILE MG . . 4.920 2.998 2.376 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 14 CYS H 1 26 CYS H . . 3.790 2.268 1.862 2.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 14 CYS H 1 27 LYS HA . . 3.850 3.453 3.177 3.885 0.035 22 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 14 CYS H 1 28 CYS H . . 4.280 4.252 3.785 4.393 0.113 37 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 14 CYS HA 1 15 LYS H . . 3.400 2.233 2.220 2.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 14 CYS QB 1 15 LYS H . . 4.860 3.865 3.567 4.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 14 CYS QB 1 25 ILE MG . . 6.380 4.526 4.039 4.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 14 CYS QB 1 26 CYS H . . 5.280 3.306 2.861 3.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 14 CYS QB 1 40 CYS QB . . 5.030 3.483 3.044 4.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 14 CYS HB2 1 40 CYS HB2 . . 5.750 4.319 3.488 5.801 0.051 9 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 14 CYS HB2 1 40 CYS HB3 . . 5.750 4.309 3.185 5.781 0.031 33 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 14 CYS HB3 1 40 CYS HB2 . . 5.750 5.157 3.780 5.855 0.105 13 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 14 CYS HB3 1 40 CYS HB3 . . 5.750 5.214 4.203 5.782 0.032 25 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 15 LYS H 1 15 LYS HB2 . . 3.650 2.855 2.147 3.766 0.116 8 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 15 LYS H 1 15 LYS QB . . 3.470 2.478 2.124 3.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 15 LYS H 1 15 LYS HB3 . . 3.650 3.227 2.514 3.757 0.107 15 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 15 LYS H 1 15 LYS HG2 . . 5.000 3.526 1.992 4.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 15 LYS H 1 15 LYS QG . . 4.490 2.763 1.923 4.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 15 LYS H 1 15 LYS HG3 . . 5.000 3.200 1.931 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 15 LYS HA 1 15 LYS HG2 . . 4.000 2.963 2.007 4.171 0.171 31 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 15 LYS HA 1 15 LYS QG . . 3.700 2.615 1.983 3.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 15 LYS HA 1 15 LYS HG3 . . 4.000 3.118 1.998 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 15 LYS HA 1 16 TYR CG . . 5.700 4.377 4.003 4.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 15 LYS HA 1 16 TYR H . . 2.600 2.242 2.179 2.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 15 LYS HA 1 23 THR MG . . 6.000 4.677 3.341 5.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 15 LYS HA 1 25 ILE HA . . 4.000 2.084 1.766 2.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 15 LYS HA 1 25 ILE QG . . 4.940 3.124 2.391 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 15 LYS HA 1 25 ILE MG . . 4.260 3.202 2.632 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 15 LYS QB 1 16 TYR CG . . 8.080 5.585 4.961 5.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 15 LYS QB 1 16 TYR H . . 4.530 3.188 2.260 3.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 15 LYS QB 1 25 ILE HA . . 5.330 3.608 2.610 4.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 15 LYS HB2 1 16 TYR H . . 5.000 3.912 2.289 4.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 15 LYS HB3 1 16 TYR H . . 5.000 3.655 2.555 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 15 LYS QE 1 25 ILE MD . . 5.850 3.221 1.886 4.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 15 LYS HE2 1 15 LYS HG2 . . 4.200 3.209 2.129 4.200 0.000 7 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 15 LYS HE2 1 15 LYS HG3 . . 4.200 3.159 1.976 4.210 0.010 15 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 15 LYS HE3 1 15 LYS HG2 . . 4.200 3.306 2.118 4.220 0.020 35 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 15 LYS HE3 1 15 LYS HG3 . . 4.200 3.205 2.046 4.230 0.030 29 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 15 LYS QG 1 16 TYR H . . 4.650 3.823 2.801 4.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 15 LYS QG 1 25 ILE MD . . 6.380 3.336 1.762 4.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 15 LYS QG 1 25 ILE MG . . 6.380 2.893 1.748 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 15 LYS HG2 1 16 TYR H . . 5.000 4.350 2.835 5.066 0.066 36 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 15 LYS HG3 1 16 TYR H . . 5.000 4.530 3.782 5.231 0.231 11 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 16 TYR CG 1 17 LYS H . . 5.700 3.995 2.655 4.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 16 TYR CG 1 18 ALA H . . 6.700 5.361 2.968 6.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 16 TYR CG 1 18 ALA HA . . 5.570 4.985 3.607 5.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 16 TYR CG 1 18 ALA MB . . 7.140 5.287 4.447 5.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 16 TYR CG 1 24 ALA MB . . 7.110 5.219 3.328 6.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 16 TYR CG 1 26 CYS H . . 7.200 5.922 5.202 6.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 16 TYR CG 1 42 PHE HB2 . . 6.490 3.555 2.821 4.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 16 TYR CG 1 42 PHE QB . . 6.370 3.273 2.478 3.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 16 TYR CG 1 42 PHE HB3 . . 6.490 3.909 2.745 4.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 16 TYR CZ 1 16 TYR H . . 7.200 4.630 4.110 4.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 16 TYR CZ 1 17 LYS H . . 6.700 6.369 4.647 6.771 0.071 4 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 16 TYR CZ 1 18 ALA HA . . 5.160 4.945 3.422 5.340 0.180 29 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 16 TYR CZ 1 18 ALA MB . . 6.120 4.800 4.032 5.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 16 TYR CZ 1 24 ALA HA . . 7.200 5.091 4.311 6.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 16 TYR CZ 1 25 ILE HA . . 6.540 5.195 3.992 5.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 16 TYR CZ 1 26 CYS H . . 6.450 5.365 4.444 6.471 0.021 16 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 16 TYR CZ 1 26 CYS HA . . 6.500 5.788 4.941 6.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 16 TYR CZ 1 26 CYS HB2 . . 5.580 3.763 3.106 5.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 16 TYR CZ 1 26 CYS HB3 . . 5.580 4.070 3.095 5.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 16 TYR CZ 1 42 PHE CG . . 7.850 3.479 2.933 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 16 TYR CZ 1 42 PHE CZ . . 8.800 4.521 3.045 5.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 16 TYR CZ 1 42 PHE HB2 . . 6.700 3.269 2.540 4.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 16 TYR CZ 1 42 PHE QB . . 6.510 3.067 2.494 3.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 16 TYR CZ 1 42 PHE HB3 . . 6.700 3.867 3.179 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 16 TYR H 1 23 THR MG . . 5.100 3.617 2.283 4.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 16 TYR H 1 24 ALA H . . 5.000 4.254 2.528 5.327 0.327 29 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 16 TYR H 1 24 ALA MB . . 5.500 4.343 3.682 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 16 TYR H 1 25 ILE HA . . 4.000 3.583 3.016 3.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 16 TYR H 1 25 ILE MG . . 6.000 4.948 4.369 5.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 16 TYR HA 1 16 TYR HB2 . . 2.900 2.557 2.470 2.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 16 TYR HA 1 16 TYR HB3 . . 2.900 2.495 2.380 2.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 16 TYR HA 1 17 LYS H . . 3.000 2.520 2.362 3.026 0.026 16 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 16 TYR QB 1 17 LYS H . . 3.550 2.441 1.907 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 16 TYR QB 1 42 PHE CG . . 6.790 5.480 4.004 6.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 16 TYR HB2 1 17 LYS H . . 3.900 2.474 1.917 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 16 TYR HB3 1 17 LYS H . . 3.900 3.788 3.335 3.970 0.070 11 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 17 LYS H 1 17 LYS HB2 . . 3.800 2.275 2.041 2.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 17 LYS H 1 17 LYS QB . . 3.550 2.213 2.021 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 17 LYS H 1 17 LYS HB3 . . 3.800 3.199 2.667 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 17 LYS H 1 17 LYS HG2 . . 5.000 3.941 2.202 4.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 17 LYS H 1 17 LYS QG . . 4.680 3.418 2.075 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 17 LYS H 1 17 LYS HG3 . . 5.000 3.892 2.536 4.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 17 LYS H 1 23 THR MG . . 6.000 4.932 4.723 5.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 17 LYS HA 1 17 LYS QE . . 4.900 3.976 2.504 4.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 17 LYS HA 1 17 LYS HG2 . . 4.200 2.341 1.992 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 17 LYS HA 1 17 LYS QG . . 3.960 2.170 1.960 2.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 17 LYS HA 1 17 LYS HG3 . . 4.200 3.037 2.053 3.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 17 LYS HA 1 18 ALA H . . 3.500 2.341 2.179 3.501 0.001 37 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 17 LYS QB 1 21 GLY QA . . 5.810 3.753 2.158 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 17 LYS HB2 1 21 GLY HA2 . . 6.750 5.225 2.973 5.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 17 LYS HB2 1 21 GLY HA3 . . 6.750 6.630 4.580 6.818 0.068 17 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 17 LYS HB3 1 21 GLY HA2 . . 6.750 4.032 2.243 5.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 17 LYS HB3 1 21 GLY HA3 . . 6.750 5.402 3.554 6.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 17 LYS QD 1 21 GLY QA . . 5.880 3.059 1.832 4.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 17 LYS QG 1 21 GLY QA . . 5.300 3.437 2.524 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 17 LYS HG2 1 21 GLY HA2 . . 6.250 3.767 2.600 5.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 17 LYS HG2 1 21 GLY HA3 . . 6.250 4.899 3.789 6.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 17 LYS HG3 1 21 GLY HA2 . . 6.250 4.800 2.671 5.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 17 LYS HG3 1 21 GLY HA3 . . 6.250 5.830 3.847 6.265 0.015 20 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 18 ALA H 1 23 THR MG . . 6.000 3.563 2.278 4.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 18 ALA HA 1 19 GLN H . . 3.500 2.589 2.325 3.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 18 ALA MB 1 19 GLN H . . 4.350 2.773 1.800 3.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 18 ALA MB 1 20 SER H . . 4.380 2.642 2.241 3.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 18 ALA MB 1 21 GLY H . . 4.500 2.569 1.920 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 18 ALA MB 1 22 LYS H . . 4.500 2.635 1.917 3.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 18 ALA MB 1 23 THR HA . . 5.070 3.332 2.152 3.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 18 ALA MB 1 24 ALA MB . . 6.500 3.557 1.748 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 19 GLN H 1 19 GLN HB2 . . 3.400 2.591 2.018 3.484 0.084 11 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 19 GLN H 1 19 GLN QB . . 3.210 2.307 1.998 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 19 GLN H 1 19 GLN HB3 . . 3.400 2.916 2.166 3.418 0.018 35 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 19 GLN H 1 19 GLN QG . . 4.900 3.779 2.600 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 19 GLN H 1 20 SER H . . 3.600 2.905 1.882 3.701 0.101 38 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 19 GLN HA 1 19 GLN HB2 . . 3.000 2.568 2.334 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 19 GLN HA 1 19 GLN HB3 . . 3.000 2.956 2.615 3.051 0.051 5 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 19 GLN HA 1 19 GLN QG . . 3.800 2.511 2.014 3.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 19 GLN HA 1 20 SER H . . 3.550 3.552 3.298 3.646 0.096 20 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 19 GLN QB 1 20 SER H . . 3.830 2.911 2.155 3.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 19 GLN HB2 1 20 SER H . . 4.100 3.856 3.215 4.123 0.023 11 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 19 GLN HB3 1 20 SER H . . 4.100 3.056 2.189 3.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 20 SER H 1 20 SER QB . . 3.810 2.757 2.004 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 20 SER H 1 21 GLY H . . 4.500 2.323 1.890 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 20 SER HA 1 20 SER HB2 . . 2.700 2.786 2.687 2.885 0.185 18 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 20 SER HA 1 20 SER QB . . 2.450 2.312 2.172 2.568 0.118 21 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 20 SER HA 1 20 SER HB3 . . 2.700 2.493 2.255 2.882 0.182 21 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 20 SER QB 1 22 LYS H . . 5.880 3.008 2.500 3.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 20 SER QB 1 22 LYS QB . . 4.350 3.139 2.716 3.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 20 SER HB2 1 22 LYS HB2 . . 5.700 3.506 3.030 4.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 20 SER HB2 1 22 LYS HB3 . . 5.700 4.652 3.963 5.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 20 SER HB3 1 22 LYS HB2 . . 5.700 4.321 2.898 5.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 20 SER HB3 1 22 LYS HB3 . . 5.700 5.313 4.376 5.708 0.008 36 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 21 GLY H 1 22 LYS H . . 3.100 2.466 1.876 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 21 GLY H 1 23 THR H . . 5.000 4.376 3.320 5.080 0.080 35 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 22 LYS H 1 22 LYS HB2 . . 3.800 2.310 2.014 2.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 22 LYS H 1 22 LYS QB . . 3.430 2.169 1.996 2.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 22 LYS H 1 22 LYS HB3 . . 3.800 2.807 2.474 3.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 22 LYS H 1 22 LYS QG . . 4.450 3.669 2.625 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 22 LYS H 1 23 THR H . . 5.000 3.064 2.272 3.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 22 LYS HA 1 22 LYS QB . . 2.690 2.441 2.368 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 22 LYS HA 1 23 THR H . . 3.500 3.541 3.316 3.639 0.139 5 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 22 LYS QB 1 23 THR HA . . 4.860 4.181 3.760 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 23 THR H 1 23 THR HB . . 2.850 2.390 1.945 3.194 0.344 19 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 23 THR HA 1 23 THR MG . . 3.500 2.845 2.289 3.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 23 THR HA 1 24 ALA H . . 2.800 2.509 2.170 2.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 23 THR HA 1 24 ALA MB . . 5.070 3.725 3.589 4.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 23 THR MG 1 24 ALA H . . 4.350 2.180 1.838 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 23 THR MG 1 24 ALA HA . . 4.580 3.073 2.660 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 24 ALA HA 1 25 ILE H . . 2.900 2.460 2.186 3.172 0.272 16 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 24 ALA HA 1 25 ILE HA . . 4.330 4.362 4.335 4.405 0.075 11 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 24 ALA MB 1 25 ILE H . . 3.900 2.838 1.841 3.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 24 ALA MB 1 25 ILE HA . . 6.000 4.344 4.016 4.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 25 ILE H 1 25 ILE HB . . 3.340 3.056 2.593 3.732 0.392 29 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 25 ILE H 1 25 ILE HG12 . . 3.950 3.099 1.952 4.001 0.051 17 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 25 ILE H 1 25 ILE HG13 . . 3.950 2.517 1.920 3.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 25 ILE H 1 26 CYS H . . 5.000 4.407 4.009 4.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 25 ILE HA 1 25 ILE MD . . 4.800 3.610 1.883 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 25 ILE HA 1 25 ILE HG12 . . 3.800 2.885 2.519 3.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 25 ILE HA 1 25 ILE QG . . 3.600 2.596 2.462 3.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 25 ILE HA 1 25 ILE HG13 . . 3.800 3.226 2.595 3.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 25 ILE HA 1 26 CYS H . . 2.900 2.265 2.202 2.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 25 ILE HA 1 26 CYS HA . . 4.400 4.406 4.369 4.468 0.068 16 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 25 ILE HB 1 26 CYS H . . 4.030 3.908 3.521 4.072 0.042 39 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 25 ILE MG 1 26 CYS H . . 4.370 2.334 1.932 2.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 25 ILE MG 1 27 LYS H . . 5.000 3.915 3.644 4.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 26 CYS HA 1 26 CYS QB . . 2.710 2.314 2.156 2.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 26 CYS HA 1 27 LYS H . . 3.300 2.238 2.220 2.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 26 CYS HB2 1 42 PHE CG . . 5.950 5.192 3.235 5.960 0.010 33 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 26 CYS HB2 1 42 PHE CZ . . 6.700 5.329 3.721 6.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 26 CYS HB3 1 42 PHE CG . . 5.950 5.228 4.056 5.966 0.016 13 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 26 CYS HB3 1 42 PHE CZ . . 6.700 5.980 4.653 6.729 0.029 39 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 27 LYS H 1 27 LYS HB2 . . 3.600 2.932 2.435 3.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 27 LYS H 1 27 LYS QB . . 3.220 2.648 2.213 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 27 LYS H 1 27 LYS HB3 . . 3.600 3.257 2.517 3.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 27 LYS H 1 27 LYS HG2 . . 4.500 2.618 1.891 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 27 LYS H 1 27 LYS HG3 . . 4.500 2.454 1.961 4.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 27 LYS H 1 28 CYS H . . 5.000 4.645 4.586 4.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 27 LYS HA 1 28 CYS H . . 2.500 2.291 2.211 2.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 27 LYS HA 1 28 CYS HA . . 4.230 4.302 4.265 4.330 0.100 22 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 27 LYS QB 1 27 LYS QE . . 4.260 2.719 1.867 3.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 27 LYS HB2 1 27 LYS HE2 . . 5.650 3.672 2.010 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 27 LYS HB2 1 27 LYS HE3 . . 5.650 3.805 2.033 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 27 LYS HB2 1 28 CYS H . . 3.860 3.720 2.898 4.003 0.143 36 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 27 LYS HB3 1 27 LYS HE2 . . 5.650 3.556 2.009 4.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 27 LYS HB3 1 27 LYS HE3 . . 5.650 3.695 2.033 5.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 27 LYS HB3 1 28 CYS H . . 3.860 3.279 2.753 3.986 0.126 37 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 28 CYS H 1 28 CYS HB2 . . 3.550 2.210 2.040 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 28 CYS H 1 28 CYS QB . . 3.190 2.180 2.017 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 28 CYS H 1 28 CYS HB3 . . 3.550 3.350 2.901 3.611 0.061 26 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 28 CYS H 1 29 TYR CG . . 7.200 7.118 6.104 7.324 0.124 2 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 28 CYS H 1 29 TYR H . . 4.500 4.308 3.699 4.578 0.078 35 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 28 CYS HA 1 29 TYR H . . 3.000 2.440 2.220 3.056 0.056 10 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 28 CYS QB 1 29 TYR H . . 4.440 3.213 1.914 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 28 CYS HB2 1 29 TYR H . . 5.000 4.278 3.419 4.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 28 CYS HB2 1 32 LYS HA . . 3.800 3.542 2.371 3.863 0.063 14 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 28 CYS HB2 1 33 CYS H . . 4.000 3.653 2.762 4.080 0.080 33 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 28 CYS HB3 1 29 TYR H . . 5.000 3.368 1.923 4.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 28 CYS HB3 1 32 LYS HA . . 3.800 2.734 2.101 3.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 28 CYS HB3 1 33 CYS H . . 4.000 3.717 2.765 4.079 0.079 33 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 29 TYR CG 1 30 VAL H . . 7.200 3.712 2.293 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 29 TYR CG 1 30 VAL HB . . 6.210 5.057 3.366 6.239 0.029 34 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 29 TYR CG 1 30 VAL MG1 . . 7.120 4.358 2.462 5.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 29 TYR CG 1 30 VAL QG . . 6.620 3.031 2.347 4.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 29 TYR CG 1 30 VAL MG2 . . 7.120 3.552 2.352 5.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 29 TYR CG 1 48 LYS HB2 . . 6.700 6.709 5.934 6.859 0.159 8 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 29 TYR CG 1 48 LYS HB3 . . 6.700 5.432 4.215 6.774 0.074 30 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 29 TYR CG 1 48 LYS QD . . 7.520 4.704 3.189 6.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 29 TYR CG 1 48 LYS HG2 . . 6.700 5.128 3.758 6.711 0.011 39 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 29 TYR CG 1 48 LYS QG . . 6.400 4.542 3.657 5.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 29 TYR CG 1 48 LYS HG3 . . 6.700 5.374 3.953 6.724 0.024 28 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 29 TYR CZ 1 30 VAL MG1 . . 7.050 4.450 2.428 5.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 29 TYR CZ 1 30 VAL QG . . 6.510 3.382 2.370 4.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 29 TYR CZ 1 30 VAL MG2 . . 7.050 4.079 2.385 5.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 29 TYR CZ 1 48 LYS HG2 . . 7.200 4.647 2.396 7.215 0.015 9 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 29 TYR CZ 1 48 LYS HG3 . . 7.200 4.903 2.488 7.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 29 TYR H 1 29 TYR HB2 . . 3.550 3.153 1.932 3.640 0.090 22 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 29 TYR H 1 29 TYR QB . . 3.310 2.366 1.911 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 29 TYR H 1 29 TYR HB3 . . 3.550 2.551 1.941 3.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 29 TYR H 1 30 VAL H . . 5.000 3.691 2.102 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 29 TYR HA 1 30 VAL H . . 3.200 2.691 2.188 3.293 0.093 22 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 29 TYR HA 1 30 VAL QG . . 6.920 3.831 3.149 4.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 29 TYR QB 1 30 VAL QG . . 7.510 3.185 2.169 3.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 29 TYR HB2 1 30 VAL H . . 5.000 4.090 2.020 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 29 TYR HB2 1 30 VAL MG1 . . 9.120 5.406 2.780 6.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 29 TYR HB2 1 30 VAL MG2 . . 9.120 4.426 3.353 6.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 29 TYR HB3 1 30 VAL H . . 5.000 3.939 2.029 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 29 TYR HB3 1 30 VAL MG1 . . 9.120 5.065 2.711 6.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 29 TYR HB3 1 30 VAL MG2 . . 9.120 3.975 2.191 5.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 30 VAL H 1 31 LYS H . . 4.000 3.682 2.413 4.214 0.214 38 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 30 VAL HB 1 31 LYS H . . 3.000 2.362 1.931 3.143 0.143 38 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 30 VAL QG 1 31 LYS H . . 4.840 2.527 1.860 3.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 30 VAL QG 1 31 LYS HA . . 6.140 3.844 2.925 4.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 30 VAL QG 1 31 LYS QB . . 7.390 3.200 2.367 4.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 30 VAL MG1 1 31 LYS H . . 5.500 3.238 1.917 4.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 30 VAL MG2 1 31 LYS H . . 5.500 3.171 1.864 4.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 31 LYS H 1 31 LYS QB . . 3.900 2.264 1.985 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 31 LYS HA 1 31 LYS QD . . 5.100 3.468 2.457 4.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 31 LYS HA 1 31 LYS HG2 . . 3.450 2.758 2.001 3.493 0.043 31 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 31 LYS HA 1 31 LYS QG . . 3.260 2.078 1.966 2.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 31 LYS HA 1 31 LYS HG3 . . 3.450 2.439 2.000 3.451 0.001 32 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 31 LYS HA 1 32 LYS H . . 2.600 2.378 2.176 2.741 0.141 40 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 31 LYS QB 1 32 LYS H . . 4.900 3.849 2.526 4.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 32 LYS H 1 32 LYS HA . . 2.630 2.703 2.207 2.921 0.291 13 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 32 LYS H 1 32 LYS HB2 . . 3.250 2.818 2.186 3.548 0.298 20 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 32 LYS H 1 32 LYS QB . . 3.030 2.316 2.000 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 32 LYS H 1 32 LYS HB3 . . 3.250 2.656 2.017 3.538 0.288 16 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 32 LYS H 1 33 CYS H . . 5.000 4.632 4.237 4.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 32 LYS HA 1 32 LYS QB . . 2.640 2.275 2.142 2.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 32 LYS HA 1 32 LYS QE . . 4.780 4.160 3.286 4.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 32 LYS HA 1 33 CYS H . . 2.700 2.408 2.285 2.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 32 LYS QB 1 32 LYS QE . . 3.980 2.065 1.832 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 32 LYS QB 1 33 CYS H . . 3.810 3.145 2.253 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 32 LYS QB 1 33 CYS QB . . 6.750 4.624 3.851 5.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 32 LYS HB2 1 32 LYS HE2 . . 5.050 2.938 1.997 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 32 LYS HB2 1 32 LYS HE3 . . 5.050 3.265 1.999 5.079 0.029 24 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 32 LYS HB2 1 33 CYS H . . 4.100 3.595 2.552 4.174 0.074 33 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 32 LYS HB3 1 32 LYS HE2 . . 5.050 2.840 1.995 4.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 32 LYS HB3 1 32 LYS HE3 . . 5.050 2.672 2.102 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 32 LYS HB3 1 33 CYS H . . 4.100 3.685 2.316 4.206 0.106 22 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 32 LYS QG 1 33 CYS H . . 4.680 2.620 1.860 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 32 LYS HG2 1 33 CYS H . . 5.000 3.103 1.937 4.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 32 LYS HG3 1 33 CYS H . . 5.000 3.128 1.940 5.080 0.080 6 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 33 CYS H 1 33 CYS HB2 . . 3.350 2.600 2.112 3.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 33 CYS H 1 33 CYS HB3 . . 3.350 2.551 2.120 3.556 0.206 4 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 33 CYS H 1 34 PRO HD2 . . 5.000 5.023 4.991 5.048 0.048 30 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 33 CYS H 1 34 PRO HD3 . . 5.000 4.654 4.583 4.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 33 CYS H 1 51 CYS HB2 . . 5.000 5.001 4.802 5.166 0.166 8 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 33 CYS H 1 51 CYS HB3 . . 5.000 4.976 4.516 5.127 0.127 8 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 33 CYS HA 1 34 PRO HD2 . . 2.980 2.552 2.463 2.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 33 CYS HA 1 34 PRO HD3 . . 2.980 1.958 1.943 1.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 33 CYS HA 1 34 PRO QG . . 5.480 3.890 3.861 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 33 CYS HA 1 35 ARG H . . 5.000 4.175 3.824 4.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 33 CYS HA 1 38 ALA MB . . 5.000 3.793 3.499 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 33 CYS HA 1 51 CYS QB . . 4.880 3.040 2.500 3.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 33 CYS QB 1 34 PRO QD . . 5.560 3.085 2.196 3.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 33 CYS QB 1 51 CYS QB . . 6.250 3.783 3.261 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 33 CYS HB2 1 34 PRO HD2 . . 6.750 3.745 3.260 4.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 33 CYS HB2 1 34 PRO HD3 . . 6.750 4.131 3.692 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 33 CYS HB3 1 34 PRO HD2 . . 6.750 3.852 2.275 4.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 33 CYS HB3 1 34 PRO HD3 . . 6.750 4.419 3.136 4.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 34 PRO QB 1 35 ARG H . . 4.300 3.116 2.723 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 34 PRO QB 1 38 ALA MB . . 6.880 3.350 3.154 3.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 34 PRO QD 1 35 ARG H . . 3.470 2.263 2.233 2.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 34 PRO QD 1 38 ALA MB . . 4.450 1.905 1.815 2.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 34 PRO HD2 1 35 ARG H . . 3.660 2.283 2.252 2.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 34 PRO HD2 1 38 ALA MB . . 5.000 1.926 1.833 2.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 34 PRO HD3 1 35 ARG H . . 3.660 3.689 3.655 3.820 0.160 9 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 34 PRO HD3 1 38 ALA MB . . 5.000 3.010 2.867 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 34 PRO QG 1 35 ARG H . . 4.770 2.712 2.352 3.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 34 PRO QG 1 38 ALA MB . . 4.680 1.813 1.728 2.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 34 PRO HG2 1 38 ALA MB . . 5.000 1.833 1.745 2.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 34 PRO HG3 1 38 ALA MB . . 5.000 2.891 2.676 3.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 35 ARG H 1 35 ARG HA . . 2.800 2.754 2.663 2.841 0.041 9 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 35 ARG H 1 35 ARG HB2 . . 4.000 4.019 3.964 4.075 0.075 10 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 35 ARG H 1 35 ARG QB . . 3.800 3.386 3.232 3.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 35 ARG H 1 35 ARG HB3 . . 4.000 3.650 3.425 3.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 35 ARG H 1 35 ARG HG2 . . 4.100 2.765 2.333 3.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 35 ARG H 1 35 ARG QG . . 3.850 2.550 2.312 2.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 35 ARG H 1 35 ARG HG3 . . 4.100 3.569 2.404 4.167 0.067 40 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 35 ARG H 1 36 ASP H . . 4.500 4.167 3.975 4.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 35 ARG H 1 38 ALA MB . . 5.000 2.249 1.995 2.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 35 ARG HA 1 35 ARG QG . . 3.690 3.323 3.269 3.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 35 ARG HA 1 36 ASP H . . 2.600 2.332 2.274 2.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 35 ARG HA 1 38 ALA H . . 5.000 5.004 4.877 5.181 0.181 40 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 35 ARG QB 1 35 ARG QD . . 3.450 2.176 1.982 2.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 35 ARG QB 1 38 ALA H . . 5.380 4.650 4.384 4.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 35 ARG HB2 1 35 ARG HD2 . . 3.800 3.101 2.661 3.807 0.007 34 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 35 ARG HB2 1 35 ARG HD3 . . 3.800 3.370 2.210 3.871 0.071 10 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 35 ARG HB3 1 35 ARG HD2 . . 3.800 2.777 2.180 3.856 0.056 18 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 35 ARG HB3 1 35 ARG HD3 . . 3.800 2.966 2.050 3.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 35 ARG QD 1 38 ALA MB . . 5.880 4.068 3.686 4.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 35 ARG QG 1 38 ALA H . . 5.090 3.351 3.158 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 36 ASP H 1 36 ASP HB2 . . 3.300 2.781 2.296 3.344 0.044 37 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 36 ASP H 1 36 ASP QB . . 3.080 2.229 2.032 2.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 36 ASP H 1 36 ASP HB3 . . 3.300 2.457 2.062 3.577 0.277 27 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 36 ASP HA 1 38 ALA H . . 3.900 3.443 3.317 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 37 GLY H 1 38 ALA H . . 3.050 2.744 2.545 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 38 ALA H 1 38 ALA HA . . 2.900 2.693 2.660 2.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 38 ALA H 1 38 ALA MB . . 3.400 2.117 1.948 2.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 38 ALA H 1 39 LYS H . . 4.500 4.512 4.466 4.544 0.044 39 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 38 ALA HA 1 39 LYS H . . 2.650 2.188 2.186 2.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 38 ALA MB 1 39 LYS H . . 3.950 3.314 3.232 3.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 39 LYS H 1 39 LYS HB2 . . 3.300 2.456 2.328 2.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 39 LYS H 1 39 LYS QB . . 3.030 2.200 2.174 2.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 39 LYS H 1 39 LYS HB3 . . 3.300 2.491 2.398 2.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 39 LYS H 1 39 LYS QG . . 4.930 3.944 3.897 3.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 39 LYS H 1 40 CYS H . . 5.000 4.655 4.641 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 39 LYS HA 1 39 LYS QG . . 3.690 2.337 2.206 2.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 39 LYS HA 1 40 CYS H . . 2.200 2.319 2.289 2.355 0.155 38 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 39 LYS QB 1 40 CYS H . . 3.830 3.569 3.488 3.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 39 LYS HB2 1 40 CYS H . . 4.000 4.097 4.040 4.156 0.156 22 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 39 LYS HB3 1 40 CYS H . . 4.000 3.929 3.771 4.000 0.000 4 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 39 LYS HG2 1 40 CYS H . . 4.500 2.005 1.932 2.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 39 LYS HG3 1 40 CYS H . . 4.500 3.442 2.757 3.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 40 CYS HA 1 41 GLU H . . 3.250 2.525 2.341 2.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 40 CYS HA 1 41 GLU QG . . 4.860 3.532 2.960 4.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 40 CYS QB 1 41 GLU H . . 3.680 2.848 1.957 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 40 CYS HB2 1 41 GLU H . . 4.050 3.059 1.972 3.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 40 CYS HB2 1 51 CYS HA . . 3.500 2.556 1.946 3.509 0.009 15 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 40 CYS HB3 1 41 GLU H . . 4.050 3.663 3.104 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 40 CYS HB3 1 51 CYS HA . . 3.500 2.849 1.940 3.533 0.033 19 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 41 GLU H 1 41 GLU HG2 . . 5.000 2.438 1.948 4.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 41 GLU H 1 41 GLU QG . . 4.680 2.231 1.907 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 41 GLU H 1 41 GLU HG3 . . 5.000 3.342 1.945 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 41 GLU H 1 50 TYR CG . . 7.200 5.060 4.013 5.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 41 GLU H 1 50 TYR H . . 4.250 3.895 3.270 4.514 0.264 38 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 41 GLU HA 1 42 PHE H . . 2.500 2.286 2.203 2.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 41 GLU QB 1 50 TYR CG . . 6.720 5.185 3.821 5.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 41 GLU QB 1 50 TYR QB . . 5.200 3.616 2.394 4.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 41 GLU HB2 1 42 PHE H . . 3.800 3.335 2.747 3.886 0.086 13 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 41 GLU HB2 1 50 TYR CG . . 7.200 5.416 3.907 6.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 41 GLU HB2 1 50 TYR HB2 . . 5.980 3.922 2.470 4.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 41 GLU HB2 1 50 TYR HB3 . . 5.980 4.935 3.371 5.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 41 GLU HB3 1 42 PHE H . . 3.800 3.654 2.643 3.861 0.061 39 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 41 GLU HB3 1 50 TYR CG . . 7.200 6.703 5.405 7.215 0.015 29 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 41 GLU HB3 1 50 TYR HB2 . . 5.980 5.036 4.123 5.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 41 GLU HB3 1 50 TYR HB3 . . 5.980 5.838 5.093 6.030 0.050 13 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 41 GLU QG 1 50 TYR QB . . 5.240 2.600 1.904 4.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 41 GLU HG2 1 50 TYR CG . . 6.700 4.878 3.456 6.725 0.025 1 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 41 GLU HG2 1 50 TYR HB2 . . 6.750 3.256 1.977 5.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 41 GLU HG2 1 50 TYR HB3 . . 6.750 3.564 2.577 5.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 41 GLU HG3 1 50 TYR CG . . 6.700 5.087 3.668 6.715 0.015 7 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 41 GLU HG3 1 50 TYR HB2 . . 6.750 3.737 2.058 5.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 41 GLU HG3 1 50 TYR HB3 . . 6.750 4.041 2.498 5.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 42 PHE CG 1 43 ASP H . . 7.200 3.980 3.169 4.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 42 PHE CG 1 44 SER H . . 7.200 5.655 5.117 5.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 42 PHE CG 1 44 SER HA . . 5.700 4.902 4.474 5.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 42 PHE CG 1 44 SER QB . . 8.080 5.243 4.898 5.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 42 PHE CG 1 47 GLY QA . . 6.230 4.356 3.265 4.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 42 PHE CG 1 49 CYS HA . . 5.810 4.860 3.820 5.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 42 PHE CG 1 49 CYS QB . . 7.060 5.422 4.487 6.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 42 PHE CZ 1 43 ASP H . . 5.970 5.499 4.385 5.984 0.014 38 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 42 PHE CZ 1 44 SER HA . . 5.700 3.996 3.080 4.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 42 PHE CZ 1 44 SER HB2 . . 5.700 5.561 5.066 5.732 0.032 30 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 42 PHE CZ 1 44 SER HB3 . . 5.700 5.541 4.265 5.728 0.028 39 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 42 PHE CZ 1 47 GLY H . . 7.200 5.123 3.845 5.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 42 PHE CZ 1 47 GLY HA2 . . 7.200 2.975 2.344 3.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 42 PHE CZ 1 47 GLY HA3 . . 7.200 4.120 3.125 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 42 PHE CZ 1 48 LYS HA . . 7.200 6.441 5.090 7.223 0.023 28 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 42 PHE CZ 1 49 CYS HA . . 7.200 6.466 5.204 7.213 0.013 31 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 42 PHE H 1 42 PHE QB . . 3.850 2.142 1.989 2.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 42 PHE H 1 43 ASP H . . 5.000 4.319 4.060 4.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 42 PHE HA 1 43 ASP H . . 3.100 2.214 2.193 2.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 42 PHE HA 1 49 CYS HA . . 4.510 2.838 1.949 3.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 42 PHE HA 1 50 TYR H . . 4.250 3.411 2.576 4.412 0.162 39 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 42 PHE QB 1 43 ASP H . . 4.440 3.985 3.680 4.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 42 PHE QB 1 49 CYS HA . . 5.090 4.056 2.520 4.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 42 PHE HB2 1 43 ASP H . . 5.000 4.448 4.073 4.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 42 PHE HB3 1 43 ASP H . . 5.000 4.503 4.194 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 42 PHE HZ 1 47 GLY HA2 . . 4.020 2.941 2.442 4.038 0.018 4 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 42 PHE HZ 1 47 GLY QA . . 3.750 2.810 2.379 3.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 42 PHE HZ 1 47 GLY HA3 . . 4.020 3.689 2.792 4.114 0.094 8 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 43 ASP H 1 43 ASP HB2 . . 3.700 2.306 2.002 3.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 43 ASP H 1 43 ASP HB3 . . 3.700 3.098 2.233 3.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 43 ASP H 1 45 TYR CZ . . 6.700 6.611 5.942 6.800 0.100 16 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 43 ASP H 1 48 LYS H . . 4.110 3.876 2.379 4.163 0.053 28 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 43 ASP H 1 49 CYS HA . . 4.000 3.852 2.588 4.043 0.043 13 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 43 ASP H 1 50 TYR CG . . 6.700 4.845 4.050 5.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 43 ASP H 1 50 TYR CZ . . 7.200 5.679 4.603 6.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 43 ASP HA 1 45 TYR H . . 5.000 3.611 3.277 4.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 43 ASP HA 1 50 TYR CZ . . 6.600 6.407 5.753 6.639 0.039 27 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 43 ASP QB 1 46 LYS H . . 5.380 2.953 2.150 3.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 43 ASP QB 1 48 LYS H . . 4.440 3.043 2.369 3.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 43 ASP QB 1 50 TYR CG . . 6.200 4.400 3.442 5.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 43 ASP HB2 1 44 SER H . . 4.500 4.349 3.419 4.541 0.041 13 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 43 ASP HB2 1 48 LYS H . . 5.000 3.635 2.680 4.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 43 ASP HB2 1 50 TYR CG . . 6.430 4.674 3.538 6.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 43 ASP HB2 1 50 TYR CZ . . 5.440 4.386 3.813 5.455 0.015 27 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 43 ASP HB3 1 44 SER H . . 4.500 3.716 3.157 4.507 0.007 32 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 43 ASP HB3 1 48 LYS H . . 5.000 3.664 2.458 4.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 43 ASP HB3 1 50 TYR CG . . 6.430 5.772 4.223 6.494 0.064 38 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 43 ASP HB3 1 50 TYR CZ . . 5.440 5.077 3.982 5.458 0.018 13 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 44 SER H 1 45 TYR H . . 3.650 2.500 1.994 3.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 44 SER H 1 45 TYR QB . . 6.000 4.339 3.678 4.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 44 SER H 1 46 LYS H . . 5.000 4.341 3.857 4.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 44 SER HA 1 47 GLY H . . 4.500 4.059 3.614 4.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 44 SER QB 1 46 LYS H . . 5.880 5.023 4.407 5.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 45 TYR CG 1 46 LYS H . . 6.600 3.748 2.919 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 45 TYR CG 1 46 LYS HG2 . . 5.700 4.751 3.834 5.708 0.008 38 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 45 TYR CG 1 46 LYS HG3 . . 5.700 4.263 2.397 5.831 0.131 27 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 45 TYR CZ 1 45 TYR H . . 7.200 4.638 4.037 5.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 45 TYR H 1 46 LYS H . . 3.100 2.342 1.865 2.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 45 TYR QB 1 46 LYS H . . 4.100 3.146 2.337 3.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 45 TYR QB 1 47 GLY H . . 6.000 4.811 4.003 5.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 46 LYS H 1 46 LYS HB2 . . 3.900 2.910 2.111 3.994 0.094 30 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 46 LYS H 1 46 LYS QB . . 3.550 2.736 2.087 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 46 LYS H 1 46 LYS HB3 . . 3.900 3.703 2.825 3.902 0.002 4 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 46 LYS H 1 46 LYS HG2 . . 4.000 3.552 2.486 4.035 0.035 20 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 46 LYS H 1 46 LYS HG3 . . 4.000 3.356 2.404 4.174 0.174 26 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 46 LYS H 1 47 GLY H . . 3.350 2.041 1.859 2.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 46 LYS H 1 48 LYS H . . 5.000 3.824 3.432 4.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 46 LYS HA 1 46 LYS HG2 . . 4.100 2.544 1.997 3.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 46 LYS HA 1 46 LYS QG . . 3.810 2.415 1.966 3.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 46 LYS HA 1 46 LYS HG3 . . 4.100 3.394 2.946 3.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 46 LYS QB 1 48 LYS H . . 4.170 3.056 2.420 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 46 LYS HB2 1 47 GLY H . . 4.400 2.747 2.319 4.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 46 LYS HB2 1 48 LYS H . . 4.500 3.262 2.448 4.613 0.113 30 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 46 LYS HB3 1 47 GLY H . . 4.400 3.560 3.046 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 46 LYS HB3 1 48 LYS H . . 4.500 4.098 2.506 4.527 0.027 16 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 47 GLY H 1 48 LYS H . . 3.400 1.996 1.849 2.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 47 GLY H 1 48 LYS QB . . 5.880 3.812 3.406 4.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 48 LYS H 1 48 LYS HB2 . . 4.100 2.290 2.021 2.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 48 LYS H 1 48 LYS QB . . 3.620 2.257 2.000 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 48 LYS H 1 48 LYS HB3 . . 4.100 3.431 2.944 3.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 48 LYS H 1 48 LYS QG . . 5.000 3.252 2.271 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 48 LYS HA 1 48 LYS QD . . 4.200 3.042 1.867 3.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 48 LYS HA 1 49 CYS H . . 3.400 2.778 2.180 3.582 0.182 39 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 48 LYS QB 1 49 CYS H . . 4.980 2.291 1.815 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 48 LYS QB 1 50 TYR CG . . 7.470 4.611 3.668 4.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 48 LYS QB 1 50 TYR CZ . . 5.600 4.466 3.532 5.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 48 LYS QB 1 50 TYR QB . . 6.450 5.036 4.282 5.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 48 LYS HB2 1 50 TYR CZ . . 5.880 4.915 3.716 5.904 0.024 1 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 48 LYS HB3 1 50 TYR CZ . . 5.880 5.285 4.121 5.890 0.010 6 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 49 CYS HA 1 50 TYR CG . . 6.600 5.242 4.958 5.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 49 CYS QB 1 50 TYR H . . 4.680 3.880 3.415 4.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 49 CYS HB2 1 50 TYR H . . 5.000 4.294 3.540 4.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 49 CYS HB3 1 50 TYR H . . 5.000 4.468 3.763 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 50 TYR CZ 1 50 TYR H . . 7.200 5.292 4.840 6.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 50 TYR H 1 50 TYR HB2 . . 3.850 2.116 1.939 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 50 TYR H 1 50 TYR QB . . 3.600 2.092 1.926 3.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 50 TYR H 1 50 TYR HB3 . . 3.850 3.399 3.286 3.931 0.081 39 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 50 TYR HA 1 51 CYS H . . 3.500 2.498 2.188 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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