NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401330 |
1vib   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vib
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 734
_Distance_constraint_stats_list.Viol_count 856
_Distance_constraint_stats_list.Viol_total 1067.940
_Distance_constraint_stats_list.Viol_max 1.740
_Distance_constraint_stats_list.Viol_rms 0.0420
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0624
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 TRP 0.390 0.055 20 0 "[ . 1 . 2]"
1 6 GLY 0.041 0.015 3 0 "[ . 1 . 2]"
1 7 ALA 0.021 0.021 9 0 "[ . 1 . 2]"
1 8 ALA 1.291 1.291 10 1 "[ . + . 2]"
1 9 TYR 0.352 0.298 10 0 "[ . 1 . 2]"
1 10 HYP 22.479 1.740 5 19 "[****+*******-**** **]"
1 11 ALA 0.129 0.038 13 0 "[ . 1 . 2]"
1 12 CYS 0.457 0.072 12 0 "[ . 1 . 2]"
1 13 GLU 20.118 1.740 5 19 "[****+*******-**** **]"
1 14 ASN 0.874 0.768 3 1 "[ + . 1 . 2]"
1 15 ASN 2.600 0.111 8 0 "[ . 1 . 2]"
1 16 CYS 0.335 0.055 6 0 "[ . 1 . 2]"
1 17 ARG 1.967 0.111 8 0 "[ . 1 . 2]"
1 18 LYS 0.031 0.010 15 0 "[ . 1 . 2]"
1 19 LYS 1.071 0.059 12 0 "[ . 1 . 2]"
1 20 TYR 2.317 0.117 14 0 "[ . 1 . 2]"
1 21 ASP 1.734 0.083 18 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 CYS 1.015 0.103 14 0 "[ . 1 . 2]"
1 24 ILE 0.634 0.075 12 0 "[ . 1 . 2]"
1 25 ARG 2.255 0.101 14 0 "[ . 1 . 2]"
1 26 CYS 2.490 0.112 3 0 "[ . 1 . 2]"
1 27 GLN 5.577 0.205 2 0 "[ . 1 . 2]"
1 28 GLY 0.553 0.067 12 0 "[ . 1 . 2]"
1 29 LYS 0.968 0.054 15 0 "[ . 1 . 2]"
1 30 TRP 6.771 0.101 14 0 "[ . 1 . 2]"
1 31 ALA 2.692 0.131 18 0 "[ . 1 . 2]"
1 32 GLY 3.655 0.112 3 0 "[ . 1 . 2]"
1 33 LYS 1.739 0.060 8 0 "[ . 1 . 2]"
1 34 ARG 0.282 0.084 19 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 0.142 0.037 10 0 "[ . 1 . 2]"
1 37 CYS 5.389 0.205 2 0 "[ . 1 . 2]"
1 38 ALA 3.507 0.098 11 0 "[ . 1 . 2]"
1 39 ALA 0.108 0.043 18 0 "[ . 1 . 2]"
1 40 HIS 2.759 0.098 11 0 "[ . 1 . 2]"
1 41 CYS 0.991 0.073 10 0 "[ . 1 . 2]"
1 42 ILE 1.355 0.117 14 0 "[ . 1 . 2]"
1 43 ILE 0.799 0.106 11 0 "[ . 1 . 2]"
1 44 GLN 1.215 0.111 2 0 "[ . 1 . 2]"
1 45 LYS 1.224 0.090 8 0 "[ . 1 . 2]"
1 46 ASN 0.254 0.054 14 0 "[ . 1 . 2]"
1 47 ASN 0.401 0.111 2 0 "[ . 1 . 2]"
1 48 CYS 0.791 0.072 12 0 "[ . 1 . 2]"
1 49 LYS 1.122 0.112 14 0 "[ . 1 . 2]"
1 50 GLY 0.299 0.054 14 0 "[ . 1 . 2]"
1 51 LYS 0.622 0.108 10 0 "[ . 1 . 2]"
1 52 CYS 0.479 0.112 14 0 "[ . 1 . 2]"
1 53 LYS 0.037 0.029 7 0 "[ . 1 . 2]"
1 54 LYS 0.211 0.030 20 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HB3 1 3 ALA H 0.000 . 5.000 3.608 2.056 4.442 . 0 0 "[ . 1 . 2]" 1
2 1 3 ALA HA 1 4 THR H 0.000 . 3.700 2.606 2.112 3.411 . 0 0 "[ . 1 . 2]" 1
3 1 3 ALA HA 1 5 TRP HD1 0.000 . 6.000 3.717 2.450 5.742 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA HA 1 5 TRP HE1 0.000 . 6.000 4.568 2.452 5.422 . 0 0 "[ . 1 . 2]" 1
5 1 3 ALA MB 1 5 TRP HD1 0.000 . 9.000 3.904 2.024 5.446 . 0 0 "[ . 1 . 2]" 1
6 1 4 THR H 1 54 LYS QE 0.000 . 10.000 7.415 5.238 8.839 . 0 0 "[ . 1 . 2]" 1
7 1 4 THR HA 1 5 TRP H 0.000 . 4.000 2.461 2.154 3.397 . 0 0 "[ . 1 . 2]" 1
8 1 4 THR MG 1 5 TRP HE1 . . 9.000 6.336 4.512 7.512 . 0 0 "[ . 1 . 2]" 1
9 1 5 TRP H 1 6 GLY H 0.000 . 5.200 3.166 2.075 4.454 . 0 0 "[ . 1 . 2]" 1
10 1 5 TRP H 1 54 LYS HD3 0.000 . 7.000 6.069 2.397 7.020 0.020 11 0 "[ . 1 . 2]" 1
11 1 5 TRP HA 1 5 TRP HZ2 0.000 . 6.000 5.963 5.720 6.042 0.042 12 0 "[ . 1 . 2]" 1
12 1 5 TRP HA 1 6 GLY H 0.000 . 4.200 3.015 2.056 3.569 . 0 0 "[ . 1 . 2]" 1
13 1 5 TRP HA 1 7 ALA H 0.000 . 8.000 3.988 3.368 5.492 . 0 0 "[ . 1 . 2]" 1
14 1 5 TRP HA 1 8 ALA H 0.000 . 5.000 4.080 3.592 4.977 . 0 0 "[ . 1 . 2]" 1
15 1 5 TRP HA 1 9 TYR H 0.000 . 6.000 5.213 4.151 6.055 0.055 20 0 "[ . 1 . 2]" 1
16 1 5 TRP HB2 1 7 ALA H 0.000 . 6.000 5.420 4.202 6.021 0.021 9 0 "[ . 1 . 2]" 1
17 1 5 TRP HB2 1 9 TYR QE 0.000 . 12.000 5.334 2.344 10.873 . 0 0 "[ . 1 . 2]" 1
18 1 5 TRP HB3 1 9 TYR QE 0.000 . 12.000 4.446 2.161 9.446 . 0 0 "[ . 1 . 2]" 1
19 1 5 TRP HE1 1 54 LYS HB2 0.000 . 11.000 9.658 6.418 11.030 0.030 20 0 "[ . 1 . 2]" 1
20 1 5 TRP HZ3 1 9 TYR QB 0.000 . 9.000 6.375 3.726 7.815 . 0 0 "[ . 1 . 2]" 1
21 1 6 GLY HA2 1 8 ALA H 0.000 . 4.800 3.710 3.360 4.648 . 0 0 "[ . 1 . 2]" 1
22 1 6 GLY HA2 1 9 TYR H 0.000 . 4.500 3.717 3.360 4.403 . 0 0 "[ . 1 . 2]" 1
23 1 6 GLY HA2 1 9 TYR QB 0.000 . 5.500 4.652 2.061 5.017 . 0 0 "[ . 1 . 2]" 1
24 1 6 GLY HA3 1 7 ALA H 0.000 . 4.200 2.859 2.160 3.359 . 0 0 "[ . 1 . 2]" 1
25 1 6 GLY HA3 1 8 ALA H 0.000 . 7.000 4.263 3.934 4.641 . 0 0 "[ . 1 . 2]" 1
26 1 6 GLY HA3 1 54 LYS HG2 0.000 . 9.000 7.323 4.082 9.015 0.015 3 0 "[ . 1 . 2]" 1
27 1 7 ALA H 1 8 ALA H 0.000 . 4.200 2.564 2.274 3.304 . 0 0 "[ . 1 . 2]" 1
28 1 7 ALA HA 1 8 ALA H 0.000 . 3.900 3.253 3.127 3.492 . 0 0 "[ . 1 . 2]" 1
29 1 7 ALA MB 1 10 HYP HG 0.000 . 8.000 5.954 5.255 6.596 . 0 0 "[ . 1 . 2]" 1
30 1 8 ALA H 1 9 TYR QB 0.000 . 9.000 4.576 3.889 5.085 . 0 0 "[ . 1 . 2]" 1
31 1 8 ALA HA 1 9 TYR H 0.000 . 4.100 3.497 3.155 3.562 . 0 0 "[ . 1 . 2]" 1
32 1 8 ALA MB 1 9 TYR H 0.000 . 4.600 2.616 2.296 3.353 . 0 0 "[ . 1 . 2]" 1
33 1 8 ALA MB 1 10 HYP HD1 0.000 . 6.000 5.499 4.911 7.291 1.291 10 1 "[ . + . 2]" 1
34 1 9 TYR HA 1 10 HYP HD1 0.000 . 6.400 5.658 4.865 6.698 0.298 10 0 "[ . 1 . 2]" 1
35 1 9 TYR QB 1 10 HYP HD1 0.000 . 9.000 6.454 4.361 7.123 . 0 0 "[ . 1 . 2]" 1
36 1 9 TYR QB 1 12 CYS H 0.000 . 5.600 4.204 3.499 5.057 . 0 0 "[ . 1 . 2]" 1
37 1 9 TYR QD 1 10 HYP HA 0.000 . 9.000 3.633 2.467 5.199 . 0 0 "[ . 1 . 2]" 1
38 1 9 TYR QD 1 10 HYP HD1 0.000 . 10.000 6.286 4.450 7.410 . 0 0 "[ . 1 . 2]" 1
39 1 9 TYR QD 1 10 HYP HG 0.000 . 10.000 6.125 4.785 6.634 . 0 0 "[ . 1 . 2]" 1
40 1 9 TYR QD 1 12 CYS HB2 0.000 . 8.000 3.447 1.926 4.624 . 0 0 "[ . 1 . 2]" 1
41 1 9 TYR QD 1 13 GLU H 0.000 . 7.000 4.568 3.769 5.865 . 0 0 "[ . 1 . 2]" 1
42 1 9 TYR QD 1 13 GLU HA 0.000 . 12.000 6.294 5.354 7.809 . 0 0 "[ . 1 . 2]" 1
43 1 9 TYR QD 1 13 GLU HB2 0.000 . 11.000 4.645 3.647 6.160 . 0 0 "[ . 1 . 2]" 1
44 1 9 TYR QD 1 13 GLU QG 0.000 . 11.000 5.882 3.903 7.072 . 0 0 "[ . 1 . 2]" 1
45 1 9 TYR QD 1 51 LYS HG2 0.000 . 8.000 6.567 5.804 7.307 . 0 0 "[ . 1 . 2]" 1
46 1 9 TYR QD 1 51 LYS HG3 0.000 . 11.000 7.281 5.328 8.461 . 0 0 "[ . 1 . 2]" 1
47 1 9 TYR QD 1 52 CYS H 0.000 . 11.000 5.918 4.716 6.929 . 0 0 "[ . 1 . 2]" 1
48 1 9 TYR QD 1 53 LYS H 0.000 . 11.000 5.151 3.045 6.688 . 0 0 "[ . 1 . 2]" 1
49 1 9 TYR QD 1 53 LYS HA 0.000 . 10.500 4.895 3.125 5.721 . 0 0 "[ . 1 . 2]" 1
50 1 9 TYR QD 1 53 LYS QB 0.000 . 12.000 5.206 1.889 6.158 . 0 0 "[ . 1 . 2]" 1
51 1 9 TYR QD 1 53 LYS HE2 0.000 . 10.000 4.747 3.636 6.397 . 0 0 "[ . 1 . 2]" 1
52 1 9 TYR QD 1 53 LYS HG2 0.000 . 5.000 3.966 2.490 4.757 . 0 0 "[ . 1 . 2]" 1
53 1 9 TYR QD 1 53 LYS HG3 0.000 . 10.000 4.547 2.533 5.697 . 0 0 "[ . 1 . 2]" 1
54 1 9 TYR QD 1 54 LYS H 0.000 . 11.000 6.150 3.156 7.869 . 0 0 "[ . 1 . 2]" 1
55 1 9 TYR QD 1 54 LYS HB3 0.000 . 10.000 8.018 5.212 9.151 . 0 0 "[ . 1 . 2]" 1
56 1 9 TYR QD 1 54 LYS HD2 0.000 . 8.000 6.084 4.042 7.394 . 0 0 "[ . 1 . 2]" 1
57 1 9 TYR QE 1 10 HYP HA 0.000 . 8.000 4.402 3.637 6.283 . 0 0 "[ . 1 . 2]" 1
58 1 9 TYR QE 1 10 HYP HB2 0.000 . 8.000 5.933 4.147 7.787 . 0 0 "[ . 1 . 2]" 1
59 1 9 TYR QE 1 10 HYP HD1 0.000 . 9.800 7.430 5.573 8.516 . 0 0 "[ . 1 . 2]" 1
60 1 9 TYR QE 1 11 ALA MB 0.000 . 10.000 6.140 2.737 7.330 . 0 0 "[ . 1 . 2]" 1
61 1 9 TYR QE 1 12 CYS HB2 0.000 . 8.000 4.466 2.613 6.284 . 0 0 "[ . 1 . 2]" 1
62 1 9 TYR QE 1 51 LYS HA 0.000 . 10.500 7.704 4.743 8.972 . 0 0 "[ . 1 . 2]" 1
63 1 9 TYR QE 1 52 CYS H 0.000 . 9.000 5.059 4.271 6.648 . 0 0 "[ . 1 . 2]" 1
64 1 9 TYR QE 1 52 CYS HA 0.000 . 9.000 4.665 2.045 7.366 . 0 0 "[ . 1 . 2]" 1
65 1 9 TYR QE 1 53 LYS H 0.000 . 11.000 4.160 2.573 5.514 . 0 0 "[ . 1 . 2]" 1
66 1 9 TYR QE 1 53 LYS QB 0.000 . 12.000 4.298 3.236 6.657 . 0 0 "[ . 1 . 2]" 1
67 1 9 TYR QE 1 53 LYS HG3 0.000 . 9.000 3.704 2.096 7.094 . 0 0 "[ . 1 . 2]" 1
68 1 9 TYR QE 1 54 LYS HB3 0.000 . 8.000 6.810 5.311 7.390 . 0 0 "[ . 1 . 2]" 1
69 1 9 TYR QE 1 54 LYS HD2 0.000 . 8.000 5.001 2.886 6.884 . 0 0 "[ . 1 . 2]" 1
70 1 10 HYP HA 1 10 HYP HB2 0.000 . 4.200 2.344 2.259 2.389 . 0 0 "[ . 1 . 2]" 1
71 1 10 HYP HA 1 11 ALA H 0.000 . 4.400 3.151 2.414 3.400 . 0 0 "[ . 1 . 2]" 1
72 1 10 HYP HA 1 11 ALA MB 0.000 . 5.700 4.697 4.346 4.803 . 0 0 "[ . 1 . 2]" 1
73 1 10 HYP HA 1 13 GLU H 0.000 . 4.600 3.727 3.395 4.001 . 0 0 "[ . 1 . 2]" 1
74 1 10 HYP HA 1 13 GLU HB2 0.000 . 4.400 4.048 2.622 4.466 0.066 7 0 "[ . 1 . 2]" 1
75 1 10 HYP HB2 1 10 HYP HD1 0.000 . 6.600 3.103 2.184 3.328 . 0 0 "[ . 1 . 2]" 1
76 1 10 HYP HB2 1 10 HYP HG 0.000 . 5.100 3.023 2.825 3.084 . 0 0 "[ . 1 . 2]" 1
77 1 10 HYP HB2 1 11 ALA H 0.000 . 5.400 4.211 3.850 4.652 . 0 0 "[ . 1 . 2]" 1
78 1 10 HYP HB2 1 11 ALA MB 0.000 . 7.000 5.609 5.362 5.837 . 0 0 "[ . 1 . 2]" 1
79 1 10 HYP HB2 1 13 GLU HB3 0.000 . 6.000 4.963 3.846 5.613 . 0 0 "[ . 1 . 2]" 1
80 1 10 HYP HB2 1 14 ASN QD 0.000 . 5.400 3.921 2.145 6.168 0.768 3 1 "[ + . 1 . 2]" 1
81 1 10 HYP HD1 1 10 HYP HG 0.000 . 3.700 2.402 2.113 2.847 . 0 0 "[ . 1 . 2]" 1
82 1 10 HYP HD1 1 11 ALA H 0.000 . 7.100 5.062 4.247 6.550 . 0 0 "[ . 1 . 2]" 1
83 1 10 HYP HD1 1 13 GLU H 0.000 . 7.000 7.993 7.192 8.740 1.740 5 19 "[****+*******-**** **]" 1
84 1 10 HYP HG 1 11 ALA H 0.000 . 6.000 3.210 2.147 5.448 . 0 0 "[ . 1 . 2]" 1
85 1 11 ALA H 1 12 CYS H 0.000 . 4.700 2.744 2.171 3.305 . 0 0 "[ . 1 . 2]" 1
86 1 11 ALA H 1 13 GLU H 0.000 . 7.000 3.964 2.694 5.013 . 0 0 "[ . 1 . 2]" 1
87 1 11 ALA H 1 14 ASN H 0.000 . 8.000 4.545 3.366 5.391 . 0 0 "[ . 1 . 2]" 1
88 1 11 ALA H 1 14 ASN QB 0.000 . 8.000 4.678 3.770 5.738 . 0 0 "[ . 1 . 2]" 1
89 1 11 ALA H 1 51 LYS QE 0.000 . 9.500 8.322 7.517 8.552 . 0 0 "[ . 1 . 2]" 1
90 1 11 ALA H 1 52 CYS QB 0.000 . 8.200 6.350 5.510 7.380 . 0 0 "[ . 1 . 2]" 1
91 1 11 ALA HA 1 12 CYS H 0.000 . 4.100 3.449 3.252 3.536 . 0 0 "[ . 1 . 2]" 1
92 1 11 ALA HA 1 13 GLU H 0.000 . 7.000 3.896 3.504 5.026 . 0 0 "[ . 1 . 2]" 1
93 1 11 ALA HA 1 14 ASN HA 0.000 . 7.000 5.353 4.769 6.188 . 0 0 "[ . 1 . 2]" 1
94 1 11 ALA HA 1 14 ASN QB 0.000 . 5.600 2.671 2.064 3.764 . 0 0 "[ . 1 . 2]" 1
95 1 11 ALA HA 1 14 ASN QD . . 7.000 3.851 1.998 4.798 . 0 0 "[ . 1 . 2]" 1
96 1 11 ALA HA 1 15 ASN HD22 0.000 . 7.000 6.656 5.978 7.038 0.038 13 0 "[ . 1 . 2]" 1
97 1 11 ALA MB 1 12 CYS H 0.000 . 4.500 2.326 1.942 3.114 . 0 0 "[ . 1 . 2]" 1
98 1 11 ALA MB 1 12 CYS HA 0.000 . 4.700 3.777 3.688 3.912 . 0 0 "[ . 1 . 2]" 1
99 1 11 ALA MB 1 13 GLU H 0.000 . 9.000 4.185 3.950 4.762 . 0 0 "[ . 1 . 2]" 1
100 1 11 ALA MB 1 14 ASN H 0.000 . 9.000 4.571 4.096 5.250 . 0 0 "[ . 1 . 2]" 1
101 1 11 ALA MB 1 14 ASN QD . . 7.000 4.811 2.991 5.496 . 0 0 "[ . 1 . 2]" 1
102 1 11 ALA MB 1 15 ASN HD22 0.000 . 7.700 5.867 4.964 6.361 . 0 0 "[ . 1 . 2]" 1
103 1 12 CYS H 1 13 GLU H 0.000 . 4.100 2.788 2.274 3.254 . 0 0 "[ . 1 . 2]" 1
104 1 12 CYS HA 1 13 GLU H 0.000 . 4.800 3.318 2.800 3.490 . 0 0 "[ . 1 . 2]" 1
105 1 12 CYS HA 1 15 ASN QB 0.000 . 6.300 3.836 2.629 4.880 . 0 0 "[ . 1 . 2]" 1
106 1 12 CYS HA 1 15 ASN HD21 0.000 . 7.000 3.169 1.773 4.571 0.007 8 0 "[ . 1 . 2]" 1
107 1 12 CYS HA 1 15 ASN HD22 0.000 . 5.000 3.084 2.390 4.227 . 0 0 "[ . 1 . 2]" 1
108 1 12 CYS HB2 1 13 GLU H 0.000 . 5.100 3.942 3.015 4.395 . 0 0 "[ . 1 . 2]" 1
109 1 12 CYS HB3 1 13 GLU H 0.000 . 6.000 3.032 1.902 3.935 . 0 0 "[ . 1 . 2]" 1
110 1 12 CYS HB3 1 15 ASN HD21 0.000 . 7.000 5.577 4.653 6.952 . 0 0 "[ . 1 . 2]" 1
111 1 12 CYS HB3 1 48 CYS HB2 0.000 . 8.000 7.676 5.672 8.072 0.072 12 0 "[ . 1 . 2]" 1
112 1 13 GLU H 1 13 GLU HB3 0.000 . 4.400 2.719 2.207 3.178 . 0 0 "[ . 1 . 2]" 1
113 1 13 GLU H 1 14 ASN H 0.000 . 4.200 2.146 1.773 2.914 0.007 5 0 "[ . 1 . 2]" 1
114 1 13 GLU H 1 14 ASN QD 0.000 . 8.000 3.406 1.930 4.162 . 0 0 "[ . 1 . 2]" 1
115 1 13 GLU H 1 15 ASN QB 0.000 . 6.000 4.976 4.580 5.405 . 0 0 "[ . 1 . 2]" 1
116 1 13 GLU HA 1 14 ASN H 0.000 . 4.700 3.453 3.307 3.554 . 0 0 "[ . 1 . 2]" 1
117 1 13 GLU HA 1 14 ASN HA 0.000 . 5.300 4.807 4.606 5.033 . 0 0 "[ . 1 . 2]" 1
118 1 13 GLU HA 1 15 ASN H 0.000 . 7.000 4.270 3.983 5.001 . 0 0 "[ . 1 . 2]" 1
119 1 13 GLU HA 1 16 CYS H 0.000 . 4.400 3.760 3.241 4.411 0.011 8 0 "[ . 1 . 2]" 1
120 1 13 GLU HA 1 16 CYS HB2 0.000 . 4.900 3.844 3.046 4.800 . 0 0 "[ . 1 . 2]" 1
121 1 13 GLU HA 1 17 ARG H 0.000 . 6.000 4.731 3.866 5.526 . 0 0 "[ . 1 . 2]" 1
122 1 13 GLU HA 1 49 LYS QG 0.000 . 7.000 4.529 3.533 5.446 . 0 0 "[ . 1 . 2]" 1
123 1 13 GLU HB2 1 14 ASN H 0.000 . 4.500 3.769 3.054 4.274 . 0 0 "[ . 1 . 2]" 1
124 1 13 GLU HB2 1 14 ASN QD 0.000 . 5.500 4.146 3.552 4.861 . 0 0 "[ . 1 . 2]" 1
125 1 13 GLU HB3 1 14 ASN H 0.000 . 6.000 2.729 1.915 3.653 . 0 0 "[ . 1 . 2]" 1
126 1 13 GLU HB3 1 14 ASN QD 0.000 . 7.000 2.845 2.025 4.055 . 0 0 "[ . 1 . 2]" 1
127 1 13 GLU HB3 1 48 CYS HB2 0.000 . 8.000 6.931 6.319 8.011 0.011 14 0 "[ . 1 . 2]" 1
128 1 14 ASN H 1 15 ASN H 0.000 . 4.000 2.523 1.994 3.151 . 0 0 "[ . 1 . 2]" 1
129 1 14 ASN H 1 16 CYS H 0.000 . 6.000 4.340 3.818 5.567 . 0 0 "[ . 1 . 2]" 1
130 1 14 ASN HA 1 15 ASN H 0.000 . 4.900 3.433 3.351 3.504 . 0 0 "[ . 1 . 2]" 1
131 1 14 ASN HA 1 17 ARG H 0.000 . 4.200 3.187 2.837 4.234 0.034 16 0 "[ . 1 . 2]" 1
132 1 14 ASN HA 1 17 ARG HB2 0.000 . 4.200 3.059 2.263 4.224 0.024 14 0 "[ . 1 . 2]" 1
133 1 14 ASN HA 1 17 ARG HB3 0.000 . 4.500 2.453 2.055 3.107 . 0 0 "[ . 1 . 2]" 1
134 1 14 ASN HA 1 17 ARG QD 0.000 . 6.500 3.932 3.179 5.148 . 0 0 "[ . 1 . 2]" 1
135 1 14 ASN QD 1 15 ASN QB 0.000 . 10.000 5.484 2.953 6.390 . 0 0 "[ . 1 . 2]" 1
136 1 14 ASN QD 1 16 CYS HA 0.000 . 8.000 7.495 6.321 7.716 . 0 0 "[ . 1 . 2]" 1
137 1 14 ASN QD 1 53 LYS HE2 0.000 . 5.100 4.424 3.639 4.923 . 0 0 "[ . 1 . 2]" 1
138 1 15 ASN H 1 16 CYS H 0.000 . 4.100 2.868 2.704 3.253 . 0 0 "[ . 1 . 2]" 1
139 1 15 ASN H 1 17 ARG H 0.000 . 3.800 3.842 3.801 3.911 0.111 8 0 "[ . 1 . 2]" 1
140 1 15 ASN HA 1 17 ARG H 0.000 . 4.200 4.108 3.808 4.275 0.075 2 0 "[ . 1 . 2]" 1
141 1 15 ASN HA 1 18 LYS HB2 0.000 . 6.000 3.601 2.946 5.483 . 0 0 "[ . 1 . 2]" 1
142 1 15 ASN HA 1 19 LYS HG2 0.000 . 6.000 6.039 6.018 6.059 0.059 12 0 "[ . 1 . 2]" 1
143 1 15 ASN QB 1 16 CYS H 0.000 . 8.300 3.177 2.486 3.372 . 0 0 "[ . 1 . 2]" 1
144 1 15 ASN HD21 1 16 CYS HA 0.000 . 8.000 5.294 4.049 6.041 . 0 0 "[ . 1 . 2]" 1
145 1 15 ASN HD21 1 16 CYS HB3 0.000 . 6.800 5.922 4.458 6.807 0.007 6 0 "[ . 1 . 2]" 1
146 1 15 ASN HD21 1 51 LYS HG3 0.000 . 7.000 6.879 5.598 7.040 0.040 6 0 "[ . 1 . 2]" 1
147 1 15 ASN HD22 1 51 LYS HA 0.000 . 9.000 8.775 7.692 9.108 0.108 10 0 "[ . 1 . 2]" 1
148 1 16 CYS H 1 16 CYS HB3 0.000 . 4.300 3.607 3.504 3.692 . 0 0 "[ . 1 . 2]" 1
149 1 16 CYS H 1 17 ARG H 0.000 . 4.000 2.530 2.239 2.973 . 0 0 "[ . 1 . 2]" 1
150 1 16 CYS H 1 17 ARG HB2 0.000 . 6.000 4.923 4.397 5.355 . 0 0 "[ . 1 . 2]" 1
151 1 16 CYS H 1 19 LYS HB2 0.000 . 5.000 4.601 3.837 5.026 0.026 5 0 "[ . 1 . 2]" 1
152 1 16 CYS H 1 19 LYS HB3 0.000 . 5.000 4.831 4.469 5.055 0.055 6 0 "[ . 1 . 2]" 1
153 1 16 CYS H 1 19 LYS HG2 0.000 . 7.000 6.104 5.193 6.651 . 0 0 "[ . 1 . 2]" 1
154 1 16 CYS HA 1 17 ARG H 0.000 . 4.500 3.414 3.216 3.495 . 0 0 "[ . 1 . 2]" 1
155 1 16 CYS HA 1 19 LYS H 0.000 . 3.900 3.327 2.963 3.732 . 0 0 "[ . 1 . 2]" 1
156 1 16 CYS HA 1 19 LYS HA 0.000 . 6.000 4.722 4.447 5.270 . 0 0 "[ . 1 . 2]" 1
157 1 16 CYS HA 1 19 LYS HB2 0.000 . 7.000 2.517 1.993 3.452 . 0 0 "[ . 1 . 2]" 1
158 1 16 CYS HA 1 19 LYS HB3 . . 4.900 2.108 1.914 2.299 . 0 0 "[ . 1 . 2]" 1
159 1 16 CYS HA 1 19 LYS HG2 0.000 . 6.000 3.756 3.233 4.240 . 0 0 "[ . 1 . 2]" 1
160 1 16 CYS HA 1 48 CYS HB2 0.000 . 6.000 4.936 4.752 5.144 . 0 0 "[ . 1 . 2]" 1
161 1 16 CYS HB2 1 17 ARG H 0.000 . 4.900 3.154 2.855 3.697 . 0 0 "[ . 1 . 2]" 1
162 1 16 CYS HB2 1 47 ASN H 0.000 . 7.000 6.243 4.838 7.020 0.020 19 0 "[ . 1 . 2]" 1
163 1 16 CYS HB3 1 17 ARG H 0.000 . 4.600 4.117 3.889 4.512 . 0 0 "[ . 1 . 2]" 1
164 1 16 CYS HB3 1 48 CYS HB2 0.000 . 6.000 2.868 2.516 3.188 . 0 0 "[ . 1 . 2]" 1
165 1 17 ARG H 1 17 ARG HB2 0.000 . 4.200 2.752 2.377 3.138 . 0 0 "[ . 1 . 2]" 1
166 1 17 ARG H 1 17 ARG HB3 0.000 . 3.900 2.478 2.231 2.714 . 0 0 "[ . 1 . 2]" 1
167 1 17 ARG H 1 18 LYS HB2 0.000 . 6.000 4.460 4.040 6.010 0.010 15 0 "[ . 1 . 2]" 1
168 1 17 ARG H 1 18 LYS HB3 0.000 . 6.000 5.641 4.471 5.984 . 0 0 "[ . 1 . 2]" 1
169 1 17 ARG H 1 18 LYS HG2 0.000 . 7.000 5.721 3.548 7.010 0.010 16 0 "[ . 1 . 2]" 1
170 1 17 ARG H 1 18 LYS HG3 0.000 . 7.000 5.442 4.201 6.466 . 0 0 "[ . 1 . 2]" 1
171 1 17 ARG H 1 20 TYR HB2 0.000 . 7.000 6.122 5.667 6.627 . 0 0 "[ . 1 . 2]" 1
172 1 17 ARG H 1 21 ASP HB2 0.000 . 7.000 6.810 6.382 7.044 0.044 17 0 "[ . 1 . 2]" 1
173 1 17 ARG H 1 45 LYS QD 0.000 . 12.000 5.984 4.383 6.884 . 0 0 "[ . 1 . 2]" 1
174 1 17 ARG HA 1 20 TYR HA 0.000 . 6.000 5.542 5.007 6.006 0.006 17 0 "[ . 1 . 2]" 1
175 1 17 ARG HA 1 20 TYR HB2 0.000 . 4.400 4.061 3.523 4.411 0.011 8 0 "[ . 1 . 2]" 1
176 1 17 ARG HA 1 20 TYR HB3 0.000 . 4.600 2.690 2.199 3.139 . 0 0 "[ . 1 . 2]" 1
177 1 17 ARG HA 1 20 TYR QD 0.000 . 8.800 3.179 2.535 3.674 . 0 0 "[ . 1 . 2]" 1
178 1 17 ARG HA 1 45 LYS QD 0.000 . 9.000 3.524 2.034 4.358 . 0 0 "[ . 1 . 2]" 1
179 1 17 ARG HB2 1 19 LYS H 0.000 . 8.000 5.746 5.263 6.073 . 0 0 "[ . 1 . 2]" 1
180 1 17 ARG HB3 1 45 LYS HA 0.000 . 5.500 5.514 5.318 5.559 0.059 2 0 "[ . 1 . 2]" 1
181 1 17 ARG HG2 1 21 ASP H 0.000 . 6.000 5.584 4.942 6.019 0.019 10 0 "[ . 1 . 2]" 1
182 1 17 ARG HG3 1 20 TYR HB2 0.000 . 6.000 5.824 5.253 6.023 0.023 15 0 "[ . 1 . 2]" 1
183 1 17 ARG HG3 1 21 ASP H 0.000 . 6.000 5.073 4.292 5.815 . 0 0 "[ . 1 . 2]" 1
184 1 18 LYS HA 1 20 TYR QD 0.000 . 8.000 5.039 4.520 5.329 . 0 0 "[ . 1 . 2]" 1
185 1 18 LYS HA 1 20 TYR QE 0.000 . 8.000 6.562 5.944 6.900 . 0 0 "[ . 1 . 2]" 1
186 1 18 LYS HA 1 21 ASP HB2 0.000 . 4.100 2.682 2.429 2.925 . 0 0 "[ . 1 . 2]" 1
187 1 18 LYS HA 1 21 ASP HB3 0.000 . 4.600 3.910 3.544 4.499 . 0 0 "[ . 1 . 2]" 1
188 1 18 LYS HB3 1 21 ASP H 0.000 . 7.000 5.335 4.990 5.879 . 0 0 "[ . 1 . 2]" 1
189 1 18 LYS HG3 1 21 ASP H 0.000 . 7.000 6.343 5.749 7.005 0.005 3 0 "[ . 1 . 2]" 1
190 1 19 LYS H 1 19 LYS HB2 0.000 . 4.000 2.278 2.100 2.622 . 0 0 "[ . 1 . 2]" 1
191 1 19 LYS H 1 19 LYS QE 0.000 . 6.600 5.126 3.597 5.949 . 0 0 "[ . 1 . 2]" 1
192 1 19 LYS H 1 19 LYS HG2 0.000 . 4.800 4.283 3.789 4.684 . 0 0 "[ . 1 . 2]" 1
193 1 19 LYS H 1 22 LEU QD 0.000 . 6.000 3.589 3.327 3.806 . 0 0 "[ . 1 . 2]" 1
194 1 19 LYS HA 1 19 LYS HG2 0.000 . 4.300 3.277 2.297 3.818 . 0 0 "[ . 1 . 2]" 1
195 1 19 LYS HA 1 19 LYS HG3 0.000 . 4.400 3.342 2.744 3.642 . 0 0 "[ . 1 . 2]" 1
196 1 19 LYS HA 1 22 LEU H 0.000 . 4.500 3.153 2.829 3.572 . 0 0 "[ . 1 . 2]" 1
197 1 19 LYS HA 1 22 LEU HB2 0.000 . 4.500 2.346 1.961 3.007 . 0 0 "[ . 1 . 2]" 1
198 1 19 LYS HB3 1 23 CYS H 0.000 . 7.000 5.578 5.209 5.920 . 0 0 "[ . 1 . 2]" 1
199 1 20 TYR H 1 20 TYR HB2 0.000 . 4.400 2.996 2.909 3.105 . 0 0 "[ . 1 . 2]" 1
200 1 20 TYR H 1 20 TYR HB3 0.000 . 4.400 2.149 2.036 2.238 . 0 0 "[ . 1 . 2]" 1
201 1 20 TYR H 1 21 ASP H 0.000 . 3.900 2.740 2.542 2.926 . 0 0 "[ . 1 . 2]" 1
202 1 20 TYR H 1 21 ASP HB3 0.000 . 6.000 6.043 6.006 6.083 0.083 18 0 "[ . 1 . 2]" 1
203 1 20 TYR H 1 22 LEU H 0.000 . 6.000 4.017 3.669 4.790 . 0 0 "[ . 1 . 2]" 1
204 1 20 TYR H 1 42 ILE HA 0.000 . 6.000 5.990 5.890 6.117 0.117 14 0 "[ . 1 . 2]" 1
205 1 20 TYR H 1 45 LYS QD 0.000 . 8.000 5.660 4.691 6.283 . 0 0 "[ . 1 . 2]" 1
206 1 20 TYR HA 1 21 ASP H 0.000 . 4.700 3.462 3.413 3.514 . 0 0 "[ . 1 . 2]" 1
207 1 20 TYR HA 1 22 LEU H 0.000 . 6.000 4.235 3.889 5.187 . 0 0 "[ . 1 . 2]" 1
208 1 20 TYR HA 1 23 CYS H 0.000 . 4.000 3.752 3.316 4.040 0.040 9 0 "[ . 1 . 2]" 1
209 1 20 TYR HA 1 23 CYS HA 0.000 . 5.400 5.413 5.223 5.503 0.103 14 0 "[ . 1 . 2]" 1
210 1 20 TYR HA 1 23 CYS HB2 0.000 . 6.000 3.787 3.459 4.293 . 0 0 "[ . 1 . 2]" 1
211 1 20 TYR HA 1 23 CYS HB3 0.000 . 4.300 2.479 2.259 2.611 . 0 0 "[ . 1 . 2]" 1
212 1 20 TYR HA 1 24 ILE MG 0.000 . 8.000 6.446 5.617 6.708 . 0 0 "[ . 1 . 2]" 1
213 1 20 TYR HA 1 41 CYS HB3 0.000 . 6.000 2.422 1.995 2.772 . 0 0 "[ . 1 . 2]" 1
214 1 20 TYR HA 1 45 LYS QD 0.000 . 8.000 6.037 5.068 7.014 . 0 0 "[ . 1 . 2]" 1
215 1 20 TYR HA 1 45 LYS QG 0.000 . 8.000 5.278 4.107 6.532 . 0 0 "[ . 1 . 2]" 1
216 1 20 TYR HB2 1 21 ASP H 0.000 . 4.600 4.012 3.833 4.239 . 0 0 "[ . 1 . 2]" 1
217 1 20 TYR HB2 1 41 CYS HB3 0.000 . 6.000 3.748 2.710 4.180 . 0 0 "[ . 1 . 2]" 1
218 1 20 TYR HB2 1 43 ILE HG13 0.000 . 7.600 7.561 7.346 7.705 0.105 18 0 "[ . 1 . 2]" 1
219 1 20 TYR HB2 1 45 LYS QG 0.000 . 8.600 3.172 1.981 4.541 . 0 0 "[ . 1 . 2]" 1
220 1 20 TYR HB3 1 23 CYS H 0.000 . 7.000 5.774 5.501 6.078 . 0 0 "[ . 1 . 2]" 1
221 1 20 TYR HB3 1 42 ILE QG 0.000 . 7.000 4.993 4.674 5.296 . 0 0 "[ . 1 . 2]" 1
222 1 20 TYR HB3 1 45 LYS QD 0.000 . 7.000 3.857 3.000 4.572 . 0 0 "[ . 1 . 2]" 1
223 1 20 TYR HB3 1 45 LYS QG 0.000 . 7.000 3.572 2.859 4.652 . 0 0 "[ . 1 . 2]" 1
224 1 20 TYR QD 1 21 ASP H 0.000 . 9.000 3.196 2.077 3.687 . 0 0 "[ . 1 . 2]" 1
225 1 20 TYR QD 1 21 ASP HA 0.000 . 8.800 3.997 3.104 4.200 . 0 0 "[ . 1 . 2]" 1
226 1 20 TYR QD 1 21 ASP HB3 0.000 . 9.000 5.148 4.213 5.578 . 0 0 "[ . 1 . 2]" 1
227 1 20 TYR QD 1 23 CYS H 0.000 . 10.000 5.292 4.996 5.782 . 0 0 "[ . 1 . 2]" 1
228 1 20 TYR QD 1 23 CYS HB3 0.000 . 8.000 4.531 4.101 5.437 . 0 0 "[ . 1 . 2]" 1
229 1 20 TYR QD 1 24 ILE HA 0.000 . 9.000 5.801 5.540 6.094 . 0 0 "[ . 1 . 2]" 1
230 1 20 TYR QD 1 24 ILE HB 0.000 . 9.000 4.927 4.351 5.323 . 0 0 "[ . 1 . 2]" 1
231 1 20 TYR QD 1 24 ILE MD 0.000 . 8.900 2.489 1.923 2.985 . 0 0 "[ . 1 . 2]" 1
232 1 20 TYR QD 1 24 ILE MG 0.000 . 8.000 5.349 4.665 5.616 . 0 0 "[ . 1 . 2]" 1
233 1 20 TYR QD 1 38 ALA HA 0.000 . 8.000 4.813 4.276 5.170 . 0 0 "[ . 1 . 2]" 1
234 1 20 TYR QD 1 41 CYS H 0.000 . 10.000 4.504 4.196 5.423 . 0 0 "[ . 1 . 2]" 1
235 1 20 TYR QD 1 41 CYS HA 0.000 . 8.000 3.980 3.594 5.000 . 0 0 "[ . 1 . 2]" 1
236 1 20 TYR QD 1 41 CYS HB2 0.000 . 8.000 2.991 2.534 4.803 . 0 0 "[ . 1 . 2]" 1
237 1 20 TYR QD 1 41 CYS HB3 0.000 . 8.800 2.316 1.981 3.644 . 0 0 "[ . 1 . 2]" 1
238 1 20 TYR QD 1 42 ILE HA 0.000 . 8.700 2.542 2.157 2.713 . 0 0 "[ . 1 . 2]" 1
239 1 20 TYR QD 1 42 ILE HB 0.000 . 10.000 3.971 2.994 4.461 . 0 0 "[ . 1 . 2]" 1
240 1 20 TYR QD 1 42 ILE MD 0.000 . 10.000 4.388 3.304 4.880 . 0 0 "[ . 1 . 2]" 1
241 1 20 TYR QD 1 42 ILE HG13 0.000 . 8.000 3.411 2.366 4.543 . 0 0 "[ . 1 . 2]" 1
242 1 20 TYR QD 1 42 ILE MG 0.000 . 10.000 4.715 4.273 4.890 . 0 0 "[ . 1 . 2]" 1
243 1 20 TYR QD 1 45 LYS H 0.000 . 10.300 4.309 3.993 4.807 . 0 0 "[ . 1 . 2]" 1
244 1 20 TYR QD 1 45 LYS HB2 0.000 . 8.700 3.743 2.564 4.239 . 0 0 "[ . 1 . 2]" 1
245 1 20 TYR QD 1 45 LYS HB3 0.000 . 8.200 3.189 2.381 4.689 . 0 0 "[ . 1 . 2]" 1
246 1 20 TYR QD 1 45 LYS QD 0.000 . 9.700 2.950 2.082 4.064 . 0 0 "[ . 1 . 2]" 1
247 1 20 TYR QD 1 45 LYS HE2 0.000 . 9.000 4.907 3.388 5.820 . 0 0 "[ . 1 . 2]" 1
248 1 20 TYR QD 1 45 LYS HE3 0.000 . 9.000 5.002 2.298 5.894 . 0 0 "[ . 1 . 2]" 1
249 1 20 TYR QD 1 45 LYS QG 0.000 . 11.000 3.428 2.720 4.619 . 0 0 "[ . 1 . 2]" 1
250 1 20 TYR QD 1 46 ASN H 0.000 . 10.000 5.908 5.476 6.387 . 0 0 "[ . 1 . 2]" 1
251 1 20 TYR QE 1 21 ASP H 0.000 . 9.000 4.758 4.131 5.137 . 0 0 "[ . 1 . 2]" 1
252 1 20 TYR QE 1 23 CYS HB3 0.000 . 8.000 6.334 5.891 7.056 . 0 0 "[ . 1 . 2]" 1
253 1 20 TYR QE 1 24 ILE H 0.000 . 10.000 5.837 5.475 6.146 . 0 0 "[ . 1 . 2]" 1
254 1 20 TYR QE 1 24 ILE HA 0.000 . 10.500 6.229 5.819 6.872 . 0 0 "[ . 1 . 2]" 1
255 1 20 TYR QE 1 24 ILE HB 0.000 . 8.000 4.969 4.531 5.251 . 0 0 "[ . 1 . 2]" 1
256 1 20 TYR QE 1 24 ILE MD 0.000 . 7.400 2.121 1.932 2.978 . 0 0 "[ . 1 . 2]" 1
257 1 20 TYR QE 1 24 ILE MG 0.000 . 7.300 4.695 3.954 5.059 . 0 0 "[ . 1 . 2]" 1
258 1 20 TYR QE 1 38 ALA HA 0.000 . 10.500 4.001 3.240 5.279 . 0 0 "[ . 1 . 2]" 1
259 1 20 TYR QE 1 38 ALA MB 0.000 . 12.000 4.281 3.571 4.894 . 0 0 "[ . 1 . 2]" 1
260 1 20 TYR QE 1 41 CYS H 0.000 . 11.000 5.295 4.578 6.918 . 0 0 "[ . 1 . 2]" 1
261 1 20 TYR QE 1 41 CYS HA 0.000 . 10.300 5.859 5.240 7.078 . 0 0 "[ . 1 . 2]" 1
262 1 20 TYR QE 1 41 CYS HB2 0.000 . 8.500 3.945 3.049 6.508 . 0 0 "[ . 1 . 2]" 1
263 1 20 TYR QE 1 41 CYS HB3 0.000 . 8.700 4.140 3.445 5.669 . 0 0 "[ . 1 . 2]" 1
264 1 20 TYR QE 1 42 ILE H 0.000 . 9.400 3.821 3.111 6.148 . 0 0 "[ . 1 . 2]" 1
265 1 20 TYR QE 1 42 ILE HA 0.000 . 7.800 3.397 3.171 4.033 . 0 0 "[ . 1 . 2]" 1
266 1 20 TYR QE 1 42 ILE MD 0.000 . 8.500 3.126 2.523 3.790 . 0 0 "[ . 1 . 2]" 1
267 1 20 TYR QE 1 42 ILE HG12 0.000 . 7.000 3.782 2.088 4.214 . 0 0 "[ . 1 . 2]" 1
268 1 20 TYR QE 1 42 ILE MG 0.000 . 12.000 4.508 4.106 4.692 . 0 0 "[ . 1 . 2]" 1
269 1 20 TYR QE 1 44 GLN HB2 0.000 . 8.000 6.699 6.156 7.309 . 0 0 "[ . 1 . 2]" 1
270 1 20 TYR QE 1 45 LYS H 0.000 . 10.000 5.914 5.443 6.393 . 0 0 "[ . 1 . 2]" 1
271 1 20 TYR QE 1 45 LYS HB2 0.000 . 9.000 5.282 4.162 5.772 . 0 0 "[ . 1 . 2]" 1
272 1 20 TYR QE 1 45 LYS HE2 0.000 . 7.000 4.848 2.990 6.259 . 0 0 "[ . 1 . 2]" 1
273 1 20 TYR QE 1 45 LYS HE3 0.000 . 10.000 5.016 2.790 6.199 . 0 0 "[ . 1 . 2]" 1
274 1 20 TYR QE 1 45 LYS QG 0.000 . 10.000 4.267 3.736 5.518 . 0 0 "[ . 1 . 2]" 1
275 1 21 ASP H 1 21 ASP HB2 0.000 . 4.200 2.073 1.982 2.280 . 0 0 "[ . 1 . 2]" 1
276 1 21 ASP H 1 22 LEU H 0.000 . 4.100 2.532 2.203 2.870 . 0 0 "[ . 1 . 2]" 1
277 1 21 ASP H 1 24 ILE QG 0.000 . 9.000 6.036 5.492 6.530 . 0 0 "[ . 1 . 2]" 1
278 1 21 ASP H 1 24 ILE MG 0.000 . 9.000 6.640 5.900 6.956 . 0 0 "[ . 1 . 2]" 1
279 1 21 ASP H 1 42 ILE MG 0.000 . 10.000 8.304 7.893 8.371 . 0 0 "[ . 1 . 2]" 1
280 1 21 ASP H 1 45 LYS QD 0.000 . 10.000 5.742 4.491 6.719 . 0 0 "[ . 1 . 2]" 1
281 1 21 ASP HA 1 22 LEU H 0.000 . 4.700 3.412 3.312 3.567 . 0 0 "[ . 1 . 2]" 1
282 1 21 ASP HA 1 24 ILE H 0.000 . 4.600 3.779 3.600 4.018 . 0 0 "[ . 1 . 2]" 1
283 1 21 ASP HA 1 24 ILE MD 0.000 . 5.400 3.003 2.355 3.544 . 0 0 "[ . 1 . 2]" 1
284 1 21 ASP HA 1 24 ILE QG 0.000 . 6.300 4.608 3.896 5.170 . 0 0 "[ . 1 . 2]" 1
285 1 21 ASP HA 1 24 ILE MG 0.000 . 6.000 4.485 3.799 4.752 . 0 0 "[ . 1 . 2]" 1
286 1 21 ASP HB2 1 22 LEU H 0.000 . 4.700 3.134 2.636 3.393 . 0 0 "[ . 1 . 2]" 1
287 1 21 ASP HB2 1 24 ILE H 0.000 . 6.000 5.980 5.663 6.075 0.075 12 0 "[ . 1 . 2]" 1
288 1 21 ASP HB3 1 22 LEU H 0.000 . 4.900 3.488 2.578 3.962 . 0 0 "[ . 1 . 2]" 1
289 1 21 ASP HB3 1 22 LEU HG 0.000 . 5.900 3.372 2.979 3.799 . 0 0 "[ . 1 . 2]" 1
290 1 21 ASP HB3 1 23 CYS H 0.000 . 8.000 5.145 4.824 5.556 . 0 0 "[ . 1 . 2]" 1
291 1 22 LEU H 1 23 CYS H 0.000 . 3.800 2.282 1.887 2.790 . 0 0 "[ . 1 . 2]" 1
292 1 22 LEU H 1 23 CYS HB2 0.000 . 6.000 4.679 4.379 5.248 . 0 0 "[ . 1 . 2]" 1
293 1 22 LEU H 1 23 CYS HB3 0.000 . 6.000 3.918 3.601 4.618 . 0 0 "[ . 1 . 2]" 1
294 1 22 LEU H 1 24 ILE MG 0.000 . 8.000 6.306 5.493 6.553 . 0 0 "[ . 1 . 2]" 1
295 1 22 LEU HB2 1 23 CYS H 0.000 . 6.000 3.319 2.188 3.834 . 0 0 "[ . 1 . 2]" 1
296 1 22 LEU HB3 1 23 CYS H 0.000 . 5.000 4.090 3.254 4.442 . 0 0 "[ . 1 . 2]" 1
297 1 22 LEU MD1 1 23 CYS HB3 0.000 . 9.000 6.145 5.499 6.600 . 0 0 "[ . 1 . 2]" 1
298 1 22 LEU MD2 1 23 CYS H 0.000 . 6.000 4.757 4.565 4.993 . 0 0 "[ . 1 . 2]" 1
299 1 22 LEU MD2 1 25 ARG QD 0.000 . 7.600 5.286 4.864 5.534 . 0 0 "[ . 1 . 2]" 1
300 1 22 LEU MD2 1 25 ARG HE 0.000 . 8.000 5.659 4.315 6.309 . 0 0 "[ . 1 . 2]" 1
301 1 22 LEU HG 1 23 CYS H 0.000 . 6.000 4.480 4.185 4.638 . 0 0 "[ . 1 . 2]" 1
302 1 23 CYS H 1 23 CYS HB2 0.000 . 4.000 3.098 2.477 3.408 . 0 0 "[ . 1 . 2]" 1
303 1 23 CYS H 1 23 CYS HB3 0.000 . 4.000 2.308 2.150 2.494 . 0 0 "[ . 1 . 2]" 1
304 1 23 CYS H 1 25 ARG QD 0.000 . 9.000 5.281 3.952 6.434 . 0 0 "[ . 1 . 2]" 1
305 1 23 CYS H 1 25 ARG HG2 0.000 . 7.000 6.140 4.986 7.079 0.079 9 0 "[ . 1 . 2]" 1
306 1 23 CYS H 1 41 CYS HB2 0.000 . 7.000 5.598 5.240 6.186 . 0 0 "[ . 1 . 2]" 1
307 1 23 CYS HA 1 29 LYS HD2 0.000 . 6.000 5.905 5.147 6.052 0.052 15 0 "[ . 1 . 2]" 1
308 1 23 CYS HA 1 29 LYS HD3 0.000 . 6.000 5.503 4.611 6.025 0.025 13 0 "[ . 1 . 2]" 1
309 1 23 CYS HB2 1 25 ARG H 0.000 . 7.000 5.761 5.512 5.913 . 0 0 "[ . 1 . 2]" 1
310 1 23 CYS HB2 1 41 CYS HA 0.000 . 6.000 4.753 4.272 6.005 0.005 20 0 "[ . 1 . 2]" 1
311 1 23 CYS HB3 1 24 ILE MG 0.000 . 8.000 5.864 5.738 6.026 . 0 0 "[ . 1 . 2]" 1
312 1 24 ILE H 1 25 ARG H 0.000 . 4.400 3.858 3.641 3.996 . 0 0 "[ . 1 . 2]" 1
313 1 24 ILE H 1 41 CYS HB3 0.000 . 5.900 3.679 3.194 4.315 . 0 0 "[ . 1 . 2]" 1
314 1 24 ILE HA 1 24 ILE MD 0.000 . 4.300 3.579 2.855 3.705 . 0 0 "[ . 1 . 2]" 1
315 1 24 ILE HB 1 25 ARG H 0.000 . 5.500 4.591 4.523 4.698 . 0 0 "[ . 1 . 2]" 1
316 1 24 ILE MD 1 25 ARG H 0.000 . 8.000 5.359 4.582 5.594 . 0 0 "[ . 1 . 2]" 1
317 1 24 ILE MD 1 25 ARG HA 0.000 . 8.000 6.579 6.249 6.687 . 0 0 "[ . 1 . 2]" 1
318 1 24 ILE MD 1 25 ARG HE 0.000 . 8.000 6.076 5.419 6.646 . 0 0 "[ . 1 . 2]" 1
319 1 24 ILE MD 1 26 CYS H 0.000 . 8.000 5.517 5.309 5.723 . 0 0 "[ . 1 . 2]" 1
320 1 24 ILE MD 1 37 CYS QB 0.000 . 8.000 4.847 4.525 5.416 . 0 0 "[ . 1 . 2]" 1
321 1 24 ILE MD 1 38 ALA H 0.000 . 7.800 4.744 4.287 5.101 . 0 0 "[ . 1 . 2]" 1
322 1 24 ILE MD 1 38 ALA HA 0.000 . 4.500 2.403 2.034 2.826 . 0 0 "[ . 1 . 2]" 1
323 1 24 ILE MD 1 38 ALA MB 0.000 . 8.000 3.287 2.589 3.835 . 0 0 "[ . 1 . 2]" 1
324 1 24 ILE MD 1 41 CYS H 0.000 . 6.000 4.092 3.028 4.676 . 0 0 "[ . 1 . 2]" 1
325 1 24 ILE MD 1 41 CYS HB2 0.000 . 7.300 2.561 1.946 3.046 . 0 0 "[ . 1 . 2]" 1
326 1 24 ILE MD 1 41 CYS HB3 0.000 . 6.600 2.738 1.887 3.355 . 0 0 "[ . 1 . 2]" 1
327 1 24 ILE QG 1 25 ARG H 0.000 . 9.500 4.072 3.854 4.262 . 0 0 "[ . 1 . 2]" 1
328 1 24 ILE QG 1 26 CYS HA 0.000 . 6.000 5.308 5.177 5.387 . 0 0 "[ . 1 . 2]" 1
329 1 24 ILE MG 1 25 ARG H 0.000 . 6.400 3.863 3.683 4.115 . 0 0 "[ . 1 . 2]" 1
330 1 24 ILE MG 1 25 ARG HA 0.000 . 7.000 4.081 3.973 4.190 . 0 0 "[ . 1 . 2]" 1
331 1 24 ILE MG 1 25 ARG HE 0.000 . 8.000 4.400 3.717 5.249 . 0 0 "[ . 1 . 2]" 1
332 1 24 ILE MG 1 26 CYS H 0.000 . 8.000 2.579 2.295 2.943 . 0 0 "[ . 1 . 2]" 1
333 1 24 ILE MG 1 26 CYS HB3 0.000 . 6.000 4.186 3.862 4.778 . 0 0 "[ . 1 . 2]" 1
334 1 24 ILE MG 1 37 CYS QB 0.000 . 8.100 3.383 2.738 4.455 . 0 0 "[ . 1 . 2]" 1
335 1 24 ILE MG 1 38 ALA HA 0.000 . 6.100 3.522 3.106 3.823 . 0 0 "[ . 1 . 2]" 1
336 1 24 ILE MG 1 41 CYS H 0.000 . 7.000 5.829 5.780 5.895 . 0 0 "[ . 1 . 2]" 1
337 1 24 ILE MG 1 41 CYS HB2 0.000 . 6.400 4.659 4.518 5.055 . 0 0 "[ . 1 . 2]" 1
338 1 24 ILE MG 1 41 CYS HB3 0.000 . 6.300 5.112 4.895 5.315 . 0 0 "[ . 1 . 2]" 1
339 1 25 ARG H 1 25 ARG HB3 0.000 . 4.100 3.550 3.411 3.657 . 0 0 "[ . 1 . 2]" 1
340 1 25 ARG H 1 25 ARG HG2 0.000 . 5.300 3.437 2.348 4.434 . 0 0 "[ . 1 . 2]" 1
341 1 25 ARG H 1 25 ARG HG3 0.000 . 5.600 4.164 3.661 4.584 . 0 0 "[ . 1 . 2]" 1
342 1 25 ARG H 1 26 CYS H 0.000 . 3.600 3.265 3.085 3.533 . 0 0 "[ . 1 . 2]" 1
343 1 25 ARG H 1 27 GLN HG2 0.000 . 6.000 5.792 5.540 6.004 0.004 15 0 "[ . 1 . 2]" 1
344 1 25 ARG H 1 30 TRP HB3 0.000 . 6.000 5.898 5.655 6.025 0.025 9 0 "[ . 1 . 2]" 1
345 1 25 ARG HA 1 25 ARG HE 0.000 . 5.600 2.580 1.775 3.583 0.005 15 0 "[ . 1 . 2]" 1
346 1 25 ARG HA 1 25 ARG HG3 0.000 . 4.100 3.202 2.417 3.826 . 0 0 "[ . 1 . 2]" 1
347 1 25 ARG HA 1 26 CYS HB2 0.000 . 7.000 5.017 4.686 5.242 . 0 0 "[ . 1 . 2]" 1
348 1 25 ARG HA 1 27 GLN HA 0.000 . 6.000 5.739 5.557 5.902 . 0 0 "[ . 1 . 2]" 1
349 1 25 ARG HA 1 27 GLN HE22 0.000 . 7.000 3.770 2.862 4.746 . 0 0 "[ . 1 . 2]" 1
350 1 25 ARG HB2 1 27 GLN HG2 0.000 . 5.000 4.987 4.465 5.040 0.040 13 0 "[ . 1 . 2]" 1
351 1 25 ARG HB2 1 30 TRP HA 0.000 . 6.500 6.052 5.567 6.551 0.051 10 0 "[ . 1 . 2]" 1
352 1 25 ARG HB3 1 30 TRP HA 0.000 . 6.000 6.054 6.018 6.101 0.101 14 0 "[ . 1 . 2]" 1
353 1 25 ARG QD 1 27 GLN HE21 0.000 . 7.000 5.928 5.008 6.294 . 0 0 "[ . 1 . 2]" 1
354 1 25 ARG QD 1 27 GLN HE22 0.000 . 8.000 5.670 4.736 6.255 . 0 0 "[ . 1 . 2]" 1
355 1 25 ARG QD 1 27 GLN HG2 0.000 . 6.400 4.337 3.039 5.558 . 0 0 "[ . 1 . 2]" 1
356 1 25 ARG QD 1 30 TRP HD1 0.000 . 9.000 5.230 4.454 5.849 . 0 0 "[ . 1 . 2]" 1
357 1 25 ARG QD 1 30 TRP HE1 0.000 . 9.000 5.888 4.222 6.875 . 0 0 "[ . 1 . 2]" 1
358 1 25 ARG HE 1 27 GLN HG2 0.000 . 6.000 5.379 4.323 6.037 0.037 20 0 "[ . 1 . 2]" 1
359 1 25 ARG HE 1 29 LYS HG2 0.000 . 7.000 6.766 5.631 7.044 0.044 15 0 "[ . 1 . 2]" 1
360 1 26 CYS H 1 26 CYS HA 0.000 . 3.000 2.831 2.802 2.879 . 0 0 "[ . 1 . 2]" 1
361 1 26 CYS H 1 30 TRP HB2 0.000 . 5.300 4.013 3.827 4.261 . 0 0 "[ . 1 . 2]" 1
362 1 26 CYS HA 1 27 GLN HG2 0.000 . 8.000 5.408 5.124 5.686 . 0 0 "[ . 1 . 2]" 1
363 1 26 CYS HA 1 30 TRP H 0.000 . 7.000 3.860 3.615 4.036 . 0 0 "[ . 1 . 2]" 1
364 1 26 CYS HA 1 30 TRP HB2 0.000 . 4.600 1.800 1.763 1.871 0.017 6 0 "[ . 1 . 2]" 1
365 1 26 CYS HB2 1 27 GLN H 0.000 . 5.600 3.404 3.042 3.867 . 0 0 "[ . 1 . 2]" 1
366 1 26 CYS HB2 1 27 GLN HE21 0.000 . 6.000 2.646 2.241 3.182 . 0 0 "[ . 1 . 2]" 1
367 1 26 CYS HB2 1 30 TRP HB2 0.000 . 7.400 4.577 4.491 4.678 . 0 0 "[ . 1 . 2]" 1
368 1 26 CYS HB2 1 30 TRP HE1 0.000 . 9.000 8.310 8.030 8.549 . 0 0 "[ . 1 . 2]" 1
369 1 26 CYS HB2 1 30 TRP HZ3 0.000 . 9.000 9.043 9.014 9.070 0.070 17 0 "[ . 1 . 2]" 1
370 1 26 CYS HB2 1 32 GLY H 0.000 . 6.000 6.080 6.057 6.112 0.112 3 0 "[ . 1 . 2]" 1
371 1 26 CYS HB2 1 38 ALA H 0.000 . 7.000 6.134 5.322 6.671 . 0 0 "[ . 1 . 2]" 1
372 1 26 CYS HB3 1 27 GLN H 0.000 . 4.800 4.134 3.904 4.372 . 0 0 "[ . 1 . 2]" 1
373 1 27 GLN H 1 27 GLN HG2 0.000 . 4.900 2.169 1.969 2.468 . 0 0 "[ . 1 . 2]" 1
374 1 27 GLN H 1 28 GLY H 0.000 . 5.300 4.328 3.669 4.526 . 0 0 "[ . 1 . 2]" 1
375 1 27 GLN H 1 30 TRP HB2 0.000 . 7.000 3.697 3.421 3.977 . 0 0 "[ . 1 . 2]" 1
376 1 27 GLN H 1 30 TRP HD1 0.000 . 8.000 4.720 4.224 5.095 . 0 0 "[ . 1 . 2]" 1
377 1 27 GLN HA 1 27 GLN HG2 0.000 . 4.500 3.650 3.594 3.722 . 0 0 "[ . 1 . 2]" 1
378 1 27 GLN HA 1 28 GLY H 0.000 . 3.800 2.544 2.262 3.158 . 0 0 "[ . 1 . 2]" 1
379 1 27 GLN HA 1 28 GLY HA2 0.000 . 7.000 4.646 4.512 4.858 . 0 0 "[ . 1 . 2]" 1
380 1 27 GLN HA 1 30 TRP HB2 0.000 . 6.000 4.733 4.595 4.925 . 0 0 "[ . 1 . 2]" 1
381 1 27 GLN HA 1 31 ALA HA . . 6.000 3.372 3.336 3.418 . 0 0 "[ . 1 . 2]" 1
382 1 27 GLN HA 1 31 ALA MB 0.000 . 8.000 4.077 3.422 4.449 . 0 0 "[ . 1 . 2]" 1
383 1 27 GLN HA 1 37 CYS QB 0.000 . 6.000 6.158 6.088 6.205 0.205 2 0 "[ . 1 . 2]" 1
384 1 27 GLN QB 1 28 GLY H 0.000 . 6.000 2.563 1.832 2.952 . 0 0 "[ . 1 . 2]" 1
385 1 27 GLN HE21 1 31 ALA HA 0.000 . 6.000 6.074 6.023 6.131 0.131 18 0 "[ . 1 . 2]" 1
386 1 27 GLN HE21 1 37 CYS QB 0.000 . 9.000 5.554 5.267 5.916 . 0 0 "[ . 1 . 2]" 1
387 1 27 GLN HG2 1 28 GLY H 0.000 . 6.500 3.925 2.298 4.467 . 0 0 "[ . 1 . 2]" 1
388 1 27 GLN HG2 1 31 ALA MB 0.000 . 8.000 6.109 5.344 6.543 . 0 0 "[ . 1 . 2]" 1
389 1 27 GLN HG3 1 28 GLY H 0.000 . 5.600 4.285 2.526 4.883 . 0 0 "[ . 1 . 2]" 1
390 1 27 GLN HG3 1 28 GLY HA2 0.000 . 6.000 5.804 4.769 6.067 0.067 12 0 "[ . 1 . 2]" 1
391 1 28 GLY H 1 29 LYS H 0.000 . 5.000 4.024 3.811 4.197 . 0 0 "[ . 1 . 2]" 1
392 1 28 GLY H 1 31 ALA H 0.000 . 6.000 4.357 3.869 5.380 . 0 0 "[ . 1 . 2]" 1
393 1 28 GLY H 1 31 ALA MB 0.000 . 5.100 3.092 2.211 3.986 . 0 0 "[ . 1 . 2]" 1
394 1 28 GLY HA2 1 29 LYS H 0.000 . 4.300 3.495 3.400 3.615 . 0 0 "[ . 1 . 2]" 1
395 1 28 GLY HA2 1 30 TRP H 0.000 . 7.000 4.793 4.590 5.162 . 0 0 "[ . 1 . 2]" 1
396 1 28 GLY HA3 1 29 LYS H 0.000 . 4.300 2.326 2.152 2.593 . 0 0 "[ . 1 . 2]" 1
397 1 29 LYS H 1 30 TRP H 0.000 . 5.000 2.831 2.465 3.060 . 0 0 "[ . 1 . 2]" 1
398 1 29 LYS H 1 30 TRP HD1 0.000 . 9.000 4.494 3.937 4.866 . 0 0 "[ . 1 . 2]" 1
399 1 29 LYS HA 1 30 TRP H 0.000 . 4.400 3.547 3.442 3.644 . 0 0 "[ . 1 . 2]" 1
400 1 29 LYS HA 1 30 TRP HD1 0.000 . 8.500 4.652 4.302 5.196 . 0 0 "[ . 1 . 2]" 1
401 1 29 LYS QB 1 30 TRP H 0.000 . 5.800 2.692 2.195 3.777 . 0 0 "[ . 1 . 2]" 1
402 1 29 LYS QB 1 30 TRP HB2 0.000 . 7.000 4.298 3.759 5.429 . 0 0 "[ . 1 . 2]" 1
403 1 29 LYS QB 1 30 TRP HE1 0.000 . 7.800 4.248 3.806 4.962 . 0 0 "[ . 1 . 2]" 1
404 1 29 LYS HD2 1 30 TRP HA 0.000 . 8.000 6.704 6.322 6.878 . 0 0 "[ . 1 . 2]" 1
405 1 29 LYS HE2 1 30 TRP HE1 0.000 . 8.000 4.615 2.062 5.906 . 0 0 "[ . 1 . 2]" 1
406 1 29 LYS HE3 1 30 TRP HZ2 0.000 . 8.000 6.894 4.428 7.977 . 0 0 "[ . 1 . 2]" 1
407 1 29 LYS HG2 1 30 TRP H 0.000 . 6.000 3.423 2.369 3.883 . 0 0 "[ . 1 . 2]" 1
408 1 29 LYS HG2 1 30 TRP HB2 0.000 . 6.000 4.428 3.746 4.975 . 0 0 "[ . 1 . 2]" 1
409 1 29 LYS HG2 1 30 TRP HD1 0.000 . 8.000 2.161 1.916 2.637 . 0 0 "[ . 1 . 2]" 1
410 1 29 LYS HG2 1 33 LYS H 0.000 . 7.600 7.593 7.360 7.654 0.054 15 0 "[ . 1 . 2]" 1
411 1 29 LYS HG3 1 30 TRP H 0.000 . 6.000 4.158 3.070 4.861 . 0 0 "[ . 1 . 2]" 1
412 1 29 LYS HG3 1 30 TRP HD1 0.000 . 8.000 3.381 2.099 4.055 . 0 0 "[ . 1 . 2]" 1
413 1 29 LYS HG3 1 30 TRP HE1 0.000 . 8.000 4.024 2.986 4.634 . 0 0 "[ . 1 . 2]" 1
414 1 30 TRP H 1 30 TRP HD1 0.000 . 4.300 2.758 2.525 3.100 . 0 0 "[ . 1 . 2]" 1
415 1 30 TRP H 1 31 ALA HA 0.000 . 6.000 4.447 4.277 4.568 . 0 0 "[ . 1 . 2]" 1
416 1 30 TRP H 1 32 GLY H 0.000 . 6.000 5.255 5.103 5.418 . 0 0 "[ . 1 . 2]" 1
417 1 30 TRP HA 1 30 TRP HH2 0.000 . 8.500 6.830 6.672 6.951 . 0 0 "[ . 1 . 2]" 1
418 1 30 TRP HA 1 30 TRP HZ3 0.000 . 6.900 5.762 5.564 5.955 . 0 0 "[ . 1 . 2]" 1
419 1 30 TRP HA 1 31 ALA H 0.000 . 4.600 2.833 2.731 2.984 . 0 0 "[ . 1 . 2]" 1
420 1 30 TRP HA 1 31 ALA MB 0.000 . 7.000 4.450 4.299 4.634 . 0 0 "[ . 1 . 2]" 1
421 1 30 TRP HA 1 34 ARG HA 0.000 . 6.000 5.804 5.338 6.084 0.084 19 0 "[ . 1 . 2]" 1
422 1 30 TRP HA 1 37 CYS H 0.000 . 7.000 6.014 5.745 6.210 . 0 0 "[ . 1 . 2]" 1
423 1 30 TRP HA 1 37 CYS QB 0.000 . 6.000 4.425 4.314 4.610 . 0 0 "[ . 1 . 2]" 1
424 1 30 TRP HB2 1 30 TRP HZ3 0.000 . 6.500 6.089 5.952 6.232 . 0 0 "[ . 1 . 2]" 1
425 1 30 TRP HB2 1 34 ARG QD 0.000 . 10.000 5.146 4.827 5.355 . 0 0 "[ . 1 . 2]" 1
426 1 30 TRP HB2 1 37 CYS H 0.000 . 5.000 5.011 4.759 5.083 0.083 2 0 "[ . 1 . 2]" 1
427 1 30 TRP HB2 1 37 CYS QB . . 5.000 2.531 2.391 2.613 . 0 0 "[ . 1 . 2]" 1
428 1 30 TRP HB3 1 30 TRP HZ3 0.000 . 6.100 4.790 4.623 4.966 . 0 0 "[ . 1 . 2]" 1
429 1 30 TRP HB3 1 37 CYS QB 0.000 . 6.100 2.252 2.095 2.422 . 0 0 "[ . 1 . 2]" 1
430 1 30 TRP HD1 1 31 ALA MB 0.000 . 9.000 6.415 6.349 6.518 . 0 0 "[ . 1 . 2]" 1
431 1 30 TRP HD1 1 33 LYS H 0.000 . 7.000 6.570 6.364 6.739 . 0 0 "[ . 1 . 2]" 1
432 1 30 TRP HD1 1 33 LYS HB2 0.000 . 5.000 5.024 4.970 5.057 0.057 1 0 "[ . 1 . 2]" 1
433 1 30 TRP HD1 1 33 LYS HB3 0.000 . 6.000 6.040 6.017 6.060 0.060 8 0 "[ . 1 . 2]" 1
434 1 30 TRP HD1 1 33 LYS QE 0.000 . 9.000 7.162 4.705 7.951 . 0 0 "[ . 1 . 2]" 1
435 1 30 TRP HD1 1 33 LYS QG 0.000 . 8.000 6.069 5.551 6.689 . 0 0 "[ . 1 . 2]" 1
436 1 30 TRP HD1 1 34 ARG QD 0.000 . 8.000 7.171 6.977 7.234 . 0 0 "[ . 1 . 2]" 1
437 1 30 TRP HD1 1 37 CYS HA 0.000 . 8.500 4.824 4.672 5.111 . 0 0 "[ . 1 . 2]" 1
438 1 30 TRP HD1 1 37 CYS QB 0.000 . 7.000 3.599 3.168 3.802 . 0 0 "[ . 1 . 2]" 1
439 1 30 TRP HD1 1 40 HIS HD2 0.000 . 8.000 7.943 7.598 8.053 0.053 1 0 "[ . 1 . 2]" 1
440 1 30 TRP HE1 1 31 ALA MB 0.000 . 11.000 8.294 8.160 8.407 . 0 0 "[ . 1 . 2]" 1
441 1 30 TRP HE1 1 37 CYS QB 0.000 . 5.000 4.127 3.484 4.413 . 0 0 "[ . 1 . 2]" 1
442 1 30 TRP HE3 1 38 ALA HA 0.000 . 7.000 7.079 7.053 7.097 0.097 13 0 "[ . 1 . 2]" 1
443 1 30 TRP HH2 1 31 ALA MB 0.000 . 15.000 10.121 9.858 10.275 . 0 0 "[ . 1 . 2]" 1
444 1 30 TRP HH2 1 33 LYS HB2 0.000 . 10.000 6.114 5.949 6.353 . 0 0 "[ . 1 . 2]" 1
445 1 30 TRP HH2 1 33 LYS HD3 0.000 . 10.000 8.031 6.401 9.027 . 0 0 "[ . 1 . 2]" 1
446 1 30 TRP HH2 1 33 LYS QE 0.000 . 10.000 7.574 6.222 8.718 . 0 0 "[ . 1 . 2]" 1
447 1 30 TRP HH2 1 36 LYS H 0.000 . 7.000 5.977 5.147 6.826 . 0 0 "[ . 1 . 2]" 1
448 1 30 TRP HH2 1 36 LYS HA 0.000 . 7.000 5.342 5.041 5.603 . 0 0 "[ . 1 . 2]" 1
449 1 30 TRP HH2 1 36 LYS QB 0.000 . 10.000 3.609 2.595 4.442 . 0 0 "[ . 1 . 2]" 1
450 1 30 TRP HH2 1 36 LYS HD2 0.000 . 7.000 5.373 2.884 6.999 . 0 0 "[ . 1 . 2]" 1
451 1 30 TRP HH2 1 36 LYS HG2 0.000 . 7.000 4.080 2.800 5.830 . 0 0 "[ . 1 . 2]" 1
452 1 30 TRP HH2 1 36 LYS HG3 0.000 . 8.000 5.111 3.746 6.275 . 0 0 "[ . 1 . 2]" 1
453 1 30 TRP HH2 1 37 CYS H 0.000 . 8.500 4.955 4.706 5.183 . 0 0 "[ . 1 . 2]" 1
454 1 30 TRP HH2 1 37 CYS HA 0.000 . 7.000 3.398 3.199 3.552 . 0 0 "[ . 1 . 2]" 1
455 1 30 TRP HH2 1 37 CYS QB 0.000 . 7.000 5.049 4.658 5.237 . 0 0 "[ . 1 . 2]" 1
456 1 30 TRP HH2 1 40 HIS HB2 0.000 . 5.000 2.281 2.065 2.948 . 0 0 "[ . 1 . 2]" 1
457 1 30 TRP HH2 1 40 HIS HB3 0.000 . 5.000 2.876 2.174 3.380 . 0 0 "[ . 1 . 2]" 1
458 1 30 TRP HH2 1 42 ILE HB 0.000 . 9.000 8.980 8.545 9.037 0.037 14 0 "[ . 1 . 2]" 1
459 1 30 TRP HZ2 1 36 LYS QE 0.000 . 9.000 6.745 4.670 7.984 . 0 0 "[ . 1 . 2]" 1
460 1 30 TRP HZ2 1 37 CYS H 0.000 . 7.000 6.002 5.836 6.137 . 0 0 "[ . 1 . 2]" 1
461 1 30 TRP HZ2 1 37 CYS HA 0.000 . 8.000 3.533 3.398 3.700 . 0 0 "[ . 1 . 2]" 1
462 1 30 TRP HZ2 1 40 HIS H 0.000 . 7.000 5.910 5.564 6.452 . 0 0 "[ . 1 . 2]" 1
463 1 30 TRP HZ2 1 40 HIS HA 0.000 . 10.000 5.740 5.141 6.580 . 0 0 "[ . 1 . 2]" 1
464 1 30 TRP HZ2 1 40 HIS HB2 0.000 . 8.300 3.943 3.479 4.599 . 0 0 "[ . 1 . 2]" 1
465 1 30 TRP HZ2 1 40 HIS HB3 0.000 . 5.000 3.363 2.998 4.054 . 0 0 "[ . 1 . 2]" 1
466 1 30 TRP HZ2 1 40 HIS HD2 0.000 . 8.000 3.217 2.741 3.790 . 0 0 "[ . 1 . 2]" 1
467 1 30 TRP HZ2 1 40 HIS HE1 0.000 . 7.000 4.746 3.860 6.132 . 0 0 "[ . 1 . 2]" 1
468 1 30 TRP HZ2 1 41 CYS H 0.000 . 7.000 5.194 4.778 5.758 . 0 0 "[ . 1 . 2]" 1
469 1 30 TRP HZ3 1 33 LYS HB2 0.000 . 5.000 4.381 4.188 4.616 . 0 0 "[ . 1 . 2]" 1
470 1 30 TRP HZ3 1 33 LYS HB3 0.000 . 7.000 3.161 2.991 3.641 . 0 0 "[ . 1 . 2]" 1
471 1 30 TRP HZ3 1 33 LYS QE 0.000 . 8.000 6.370 5.149 7.142 . 0 0 "[ . 1 . 2]" 1
472 1 30 TRP HZ3 1 33 LYS QG 0.000 . 7.900 4.879 4.501 5.469 . 0 0 "[ . 1 . 2]" 1
473 1 30 TRP HZ3 1 34 ARG HA 0.000 . 6.000 5.734 5.303 6.026 0.026 7 0 "[ . 1 . 2]" 1
474 1 30 TRP HZ3 1 36 LYS HG3 0.000 . 7.700 4.095 2.857 4.928 . 0 0 "[ . 1 . 2]" 1
475 1 30 TRP HZ3 1 37 CYS H 0.000 . 6.400 3.151 2.890 3.410 . 0 0 "[ . 1 . 2]" 1
476 1 30 TRP HZ3 1 37 CYS HA 0.000 . 5.800 3.175 3.055 3.332 . 0 0 "[ . 1 . 2]" 1
477 1 30 TRP HZ3 1 37 CYS QB . . 5.400 4.286 4.123 4.436 . 0 0 "[ . 1 . 2]" 1
478 1 30 TRP HZ3 1 38 ALA H 0.000 . 7.000 5.048 4.790 5.253 . 0 0 "[ . 1 . 2]" 1
479 1 30 TRP HZ3 1 40 HIS HD2 0.000 . 8.000 4.292 3.632 4.647 . 0 0 "[ . 1 . 2]" 1
480 1 31 ALA H 1 32 GLY H 0.000 . 4.400 3.911 3.851 3.943 . 0 0 "[ . 1 . 2]" 1
481 1 31 ALA H 1 32 GLY HA2 0.000 . 6.000 6.061 6.038 6.097 0.097 14 0 "[ . 1 . 2]" 1
482 1 31 ALA HA 1 32 GLY H 0.000 . 3.500 2.237 2.072 2.338 . 0 0 "[ . 1 . 2]" 1
483 1 31 ALA HA 1 34 ARG QD 0.000 . 8.000 6.656 6.019 7.142 . 0 0 "[ . 1 . 2]" 1
484 1 31 ALA MB 1 32 GLY H 0.000 . 4.400 3.642 3.589 3.688 . 0 0 "[ . 1 . 2]" 1
485 1 32 GLY H 1 33 LYS H 0.000 . 4.000 2.127 1.864 2.323 . 0 0 "[ . 1 . 2]" 1
486 1 32 GLY HA2 1 37 CYS H 0.000 . 7.500 7.540 7.456 7.576 0.076 10 0 "[ . 1 . 2]" 1
487 1 32 GLY HA3 1 33 LYS QE 0.000 . 7.000 5.142 3.191 6.276 . 0 0 "[ . 1 . 2]" 1
488 1 32 GLY HA3 1 34 ARG H 0.000 . 7.000 4.099 4.002 4.203 . 0 0 "[ . 1 . 2]" 1
489 1 33 LYS H 1 33 LYS HD3 0.000 . 6.600 3.284 1.722 4.992 0.058 5 0 "[ . 1 . 2]" 1
490 1 33 LYS H 1 34 ARG H 0.000 . 4.300 2.314 2.074 3.160 . 0 0 "[ . 1 . 2]" 1
491 1 33 LYS HA 1 34 ARG H 0.000 . 4.700 3.147 2.602 3.258 . 0 0 "[ . 1 . 2]" 1
492 1 33 LYS HB2 1 37 CYS H 0.000 . 7.000 4.520 4.098 4.846 . 0 0 "[ . 1 . 2]" 1
493 1 33 LYS HB3 1 34 ARG H 0.000 . 6.000 4.322 4.185 4.574 . 0 0 "[ . 1 . 2]" 1
494 1 33 LYS HD3 1 34 ARG H 0.000 . 6.000 5.047 3.944 6.018 0.018 19 0 "[ . 1 . 2]" 1
495 1 34 ARG H 1 35 GLY H 0.000 . 6.000 3.531 3.012 4.753 . 0 0 "[ . 1 . 2]" 1
496 1 34 ARG H 1 37 CYS QB 0.000 . 7.000 4.432 4.026 5.033 . 0 0 "[ . 1 . 2]" 1
497 1 34 ARG H 1 38 ALA MB 0.000 . 12.000 6.765 6.097 7.083 . 0 0 "[ . 1 . 2]" 1
498 1 34 ARG HA 1 34 ARG HG3 0.000 . 4.300 3.472 3.101 3.714 . 0 0 "[ . 1 . 2]" 1
499 1 34 ARG HA 1 35 GLY H 0.000 . 5.400 3.197 2.103 3.539 . 0 0 "[ . 1 . 2]" 1
500 1 34 ARG HA 1 35 GLY QA 0.000 . 6.800 4.477 3.980 4.647 . 0 0 "[ . 1 . 2]" 1
501 1 34 ARG HA 1 37 CYS H 0.000 . 4.300 2.980 2.785 3.137 . 0 0 "[ . 1 . 2]" 1
502 1 34 ARG HA 1 37 CYS QB 0.000 . 5.500 2.736 2.340 3.283 . 0 0 "[ . 1 . 2]" 1
503 1 34 ARG HA 1 38 ALA H 0.000 . 5.300 3.928 3.371 4.138 . 0 0 "[ . 1 . 2]" 1
504 1 34 ARG QB 1 35 GLY H 0.000 . 6.700 2.608 2.176 3.666 . 0 0 "[ . 1 . 2]" 1
505 1 34 ARG QB 1 38 ALA H 0.000 . 7.100 5.487 4.984 5.981 . 0 0 "[ . 1 . 2]" 1
506 1 34 ARG QD 1 38 ALA HA 0.000 . 6.000 5.209 4.568 5.377 . 0 0 "[ . 1 . 2]" 1
507 1 35 GLY H 1 36 LYS H 0.000 . 4.800 2.975 2.420 3.223 . 0 0 "[ . 1 . 2]" 1
508 1 35 GLY H 1 37 CYS H 0.000 . 6.000 3.914 2.918 4.184 . 0 0 "[ . 1 . 2]" 1
509 1 35 GLY H 1 38 ALA H 0.000 . 7.000 4.870 2.897 6.032 . 0 0 "[ . 1 . 2]" 1
510 1 35 GLY H 1 38 ALA MB 0.000 . 9.000 4.944 2.744 6.375 . 0 0 "[ . 1 . 2]" 1
511 1 35 GLY QA 1 38 ALA MB 0.000 . 12.000 3.903 2.532 5.396 . 0 0 "[ . 1 . 2]" 1
512 1 36 LYS H 1 36 LYS HG2 0.000 . 5.700 4.557 3.897 4.956 . 0 0 "[ . 1 . 2]" 1
513 1 36 LYS H 1 37 CYS H 0.000 . 4.000 2.232 2.022 2.588 . 0 0 "[ . 1 . 2]" 1
514 1 36 LYS H 1 38 ALA H 0.000 . 6.000 3.946 3.526 4.421 . 0 0 "[ . 1 . 2]" 1
515 1 36 LYS H 1 39 ALA H 0.000 . 7.000 5.222 4.483 5.648 . 0 0 "[ . 1 . 2]" 1
516 1 36 LYS HA 1 37 CYS H 0.000 . 4.600 3.532 3.320 3.654 . 0 0 "[ . 1 . 2]" 1
517 1 36 LYS HA 1 39 ALA H 0.000 . 4.600 3.286 2.948 3.635 . 0 0 "[ . 1 . 2]" 1
518 1 36 LYS HA 1 40 HIS HA 0.000 . 6.000 5.698 5.200 6.037 0.037 10 0 "[ . 1 . 2]" 1
519 1 36 LYS QB 1 37 CYS H 0.000 . 7.100 3.071 2.504 3.600 . 0 0 "[ . 1 . 2]" 1
520 1 36 LYS QG 1 37 CYS H 0.000 . 6.700 4.399 3.945 4.883 . 0 0 "[ . 1 . 2]" 1
521 1 36 LYS HG2 1 37 CYS H 0.000 . 7.000 4.871 4.137 5.711 . 0 0 "[ . 1 . 2]" 1
522 1 36 LYS HG2 1 40 HIS HA 0.000 . 6.000 4.949 3.355 6.009 0.009 10 0 "[ . 1 . 2]" 1
523 1 37 CYS H 1 38 ALA H 0.000 . 4.100 2.526 2.433 2.675 . 0 0 "[ . 1 . 2]" 1
524 1 37 CYS H 1 38 ALA MB 0.000 . 5.000 4.055 4.018 4.089 . 0 0 "[ . 1 . 2]" 1
525 1 37 CYS H 1 39 ALA H 0.000 . 7.000 4.850 4.365 5.160 . 0 0 "[ . 1 . 2]" 1
526 1 37 CYS H 1 40 HIS HB3 0.000 . 5.100 5.122 5.014 5.174 0.074 20 0 "[ . 1 . 2]" 1
527 1 37 CYS HA 1 38 ALA H 0.000 . 4.500 3.345 3.306 3.419 . 0 0 "[ . 1 . 2]" 1
528 1 37 CYS HA 1 40 HIS H 0.000 . 5.500 4.400 3.974 4.761 . 0 0 "[ . 1 . 2]" 1
529 1 37 CYS HA 1 40 HIS HB3 0.000 . 4.100 3.047 2.575 3.503 . 0 0 "[ . 1 . 2]" 1
530 1 37 CYS HA 1 40 HIS HD2 0.000 . 9.000 5.186 4.521 5.427 . 0 0 "[ . 1 . 2]" 1
531 1 37 CYS QB 1 38 ALA H . . 4.500 3.105 2.897 3.312 . 0 0 "[ . 1 . 2]" 1
532 1 37 CYS QB 1 38 ALA HA 0.000 . 6.000 4.139 3.906 4.548 . 0 0 "[ . 1 . 2]" 1
533 1 37 CYS QB 1 38 ALA MB 0.000 . 9.000 4.223 3.927 4.542 . 0 0 "[ . 1 . 2]" 1
534 1 37 CYS QB 1 41 CYS H 0.000 . 7.000 5.084 4.795 5.493 . 0 0 "[ . 1 . 2]" 1
535 1 38 ALA H 1 39 ALA H 0.000 . 4.100 3.171 2.964 3.419 . 0 0 "[ . 1 . 2]" 1
536 1 38 ALA H 1 42 ILE HB 0.000 . 8.000 6.520 5.968 6.726 . 0 0 "[ . 1 . 2]" 1
537 1 38 ALA HA 1 39 ALA H 0.000 . 4.500 3.517 3.477 3.573 . 0 0 "[ . 1 . 2]" 1
538 1 38 ALA HA 1 40 HIS H 0.000 . 8.000 4.663 4.501 4.768 . 0 0 "[ . 1 . 2]" 1
539 1 38 ALA HA 1 40 HIS HB2 0.000 . 6.000 6.060 6.034 6.098 0.098 11 0 "[ . 1 . 2]" 1
540 1 38 ALA HA 1 41 CYS H 0.000 . 4.500 3.647 3.418 3.789 . 0 0 "[ . 1 . 2]" 1
541 1 38 ALA HA 1 41 CYS HB2 0.000 . 4.900 3.170 3.021 3.655 . 0 0 "[ . 1 . 2]" 1
542 1 38 ALA HA 1 41 CYS HB3 0.000 . 4.600 4.625 4.502 4.673 0.073 10 0 "[ . 1 . 2]" 1
543 1 38 ALA HA 1 42 ILE H 0.000 . 6.000 4.153 3.813 4.916 . 0 0 "[ . 1 . 2]" 1
544 1 38 ALA HA 1 42 ILE HG13 0.000 . 6.000 5.589 3.348 6.027 0.027 1 0 "[ . 1 . 2]" 1
545 1 38 ALA MB 1 41 CYS H 0.000 . 6.000 4.706 4.573 4.815 . 0 0 "[ . 1 . 2]" 1
546 1 38 ALA MB 1 41 CYS HB2 0.000 . 6.000 4.713 4.565 5.117 . 0 0 "[ . 1 . 2]" 1
547 1 39 ALA H 1 40 HIS H 0.000 . 4.400 3.055 2.909 3.207 . 0 0 "[ . 1 . 2]" 1
548 1 39 ALA H 1 42 ILE HB 0.000 . 5.000 4.464 4.030 4.824 . 0 0 "[ . 1 . 2]" 1
549 1 39 ALA H 1 42 ILE MD 0.000 . 7.000 4.704 3.329 5.877 . 0 0 "[ . 1 . 2]" 1
550 1 39 ALA H 1 42 ILE MG 0.000 . 6.000 4.786 3.898 4.957 . 0 0 "[ . 1 . 2]" 1
551 1 39 ALA HA 1 41 CYS HB3 0.000 . 7.000 6.943 6.600 7.043 0.043 18 0 "[ . 1 . 2]" 1
552 1 39 ALA HA 1 42 ILE MD 0.000 . 9.000 3.481 2.785 4.598 . 0 0 "[ . 1 . 2]" 1
553 1 39 ALA HA 1 43 ILE H 0.000 . 4.900 3.975 3.591 4.376 . 0 0 "[ . 1 . 2]" 1
554 1 39 ALA HA 1 43 ILE MG 0.000 . 9.000 6.110 4.260 6.548 . 0 0 "[ . 1 . 2]" 1
555 1 39 ALA MB 1 40 HIS H 0.000 . 4.400 2.110 1.976 2.311 . 0 0 "[ . 1 . 2]" 1
556 1 39 ALA MB 1 41 CYS H 0.000 . 5.400 4.507 4.484 4.539 . 0 0 "[ . 1 . 2]" 1
557 1 39 ALA MB 1 42 ILE H 0.000 . 6.000 4.540 4.375 4.735 . 0 0 "[ . 1 . 2]" 1
558 1 39 ALA MB 1 43 ILE H 0.000 . 8.000 4.514 4.226 4.798 . 0 0 "[ . 1 . 2]" 1
559 1 40 HIS H 1 40 HIS HB3 0.000 . 4.400 2.794 2.680 2.915 . 0 0 "[ . 1 . 2]" 1
560 1 40 HIS H 1 41 CYS H 0.000 . 4.300 3.025 2.850 3.151 . 0 0 "[ . 1 . 2]" 1
561 1 40 HIS H 1 41 CYS HB3 0.000 . 7.000 6.437 6.296 6.523 . 0 0 "[ . 1 . 2]" 1
562 1 40 HIS H 1 42 ILE H 0.000 . 6.500 4.153 3.980 4.423 . 0 0 "[ . 1 . 2]" 1
563 1 40 HIS H 1 43 ILE MD 0.000 . 8.000 3.839 3.277 6.578 . 0 0 "[ . 1 . 2]" 1
564 1 40 HIS HA 1 41 CYS H 0.000 . 4.700 3.539 3.483 3.598 . 0 0 "[ . 1 . 2]" 1
565 1 40 HIS HA 1 43 ILE H 0.000 . 4.600 3.998 3.720 4.267 . 0 0 "[ . 1 . 2]" 1
566 1 40 HIS HA 1 43 ILE HB 0.000 . 4.500 3.663 3.017 4.503 0.003 6 0 "[ . 1 . 2]" 1
567 1 40 HIS HA 1 43 ILE MD 0.000 . 6.100 2.370 1.906 4.993 . 0 0 "[ . 1 . 2]" 1
568 1 40 HIS HA 1 44 GLN H 0.000 . 7.000 5.308 4.748 5.815 . 0 0 "[ . 1 . 2]" 1
569 1 40 HIS HB2 1 41 CYS H 0.000 . 5.200 3.579 3.426 3.791 . 0 0 "[ . 1 . 2]" 1
570 1 40 HIS HB3 1 41 CYS H 0.000 . 4.600 2.254 2.014 2.584 . 0 0 "[ . 1 . 2]" 1
571 1 40 HIS HD2 1 41 CYS H 0.000 . 7.000 5.649 5.279 6.056 . 0 0 "[ . 1 . 2]" 1
572 1 40 HIS HD2 1 41 CYS HA 0.000 . 8.000 6.572 6.298 6.815 . 0 0 "[ . 1 . 2]" 1
573 1 40 HIS HE1 1 42 ILE HA 0.000 . 9.000 9.026 8.971 9.078 0.078 17 0 "[ . 1 . 2]" 1
574 1 41 CYS H 1 42 ILE H 0.000 . 4.100 2.576 2.373 2.875 . 0 0 "[ . 1 . 2]" 1
575 1 41 CYS H 1 42 ILE HB 0.000 . 6.000 4.394 4.084 4.714 . 0 0 "[ . 1 . 2]" 1
576 1 41 CYS H 1 42 ILE MG 0.000 . 8.000 4.973 4.449 5.469 . 0 0 "[ . 1 . 2]" 1
577 1 41 CYS H 1 43 ILE H 0.000 . 7.000 4.314 4.142 4.598 . 0 0 "[ . 1 . 2]" 1
578 1 41 CYS H 1 43 ILE HB 0.000 . 7.000 5.542 4.939 6.625 . 0 0 "[ . 1 . 2]" 1
579 1 41 CYS HA 1 44 GLN HB2 0.000 . 4.600 3.010 2.417 3.703 . 0 0 "[ . 1 . 2]" 1
580 1 41 CYS HA 1 44 GLN HB3 0.000 . 4.600 4.544 4.033 4.644 0.044 18 0 "[ . 1 . 2]" 1
581 1 41 CYS HA 1 44 GLN HG2 0.000 . 5.000 3.895 2.028 4.504 . 0 0 "[ . 1 . 2]" 1
582 1 41 CYS HB2 1 42 ILE H 0.000 . 4.900 2.886 2.361 4.129 . 0 0 "[ . 1 . 2]" 1
583 1 41 CYS HB2 1 42 ILE HA 0.000 . 7.000 4.600 4.336 5.395 . 0 0 "[ . 1 . 2]" 1
584 1 41 CYS HB3 1 42 ILE H 0.000 . 4.900 3.645 3.173 4.201 . 0 0 "[ . 1 . 2]" 1
585 1 41 CYS HB3 1 42 ILE HA 0.000 . 7.000 4.332 4.141 4.533 . 0 0 "[ . 1 . 2]" 1
586 1 41 CYS HB3 1 42 ILE HG13 0.000 . 6.900 5.522 4.215 6.166 . 0 0 "[ . 1 . 2]" 1
587 1 42 ILE H 1 42 ILE HB 0.000 . 4.100 2.153 2.029 2.396 . 0 0 "[ . 1 . 2]" 1
588 1 42 ILE H 1 42 ILE HG12 0.000 . 5.000 4.466 2.666 4.707 . 0 0 "[ . 1 . 2]" 1
589 1 42 ILE H 1 42 ILE HG13 0.000 . 5.600 3.856 3.006 4.304 . 0 0 "[ . 1 . 2]" 1
590 1 42 ILE H 1 43 ILE H 0.000 . 4.000 2.618 1.912 2.952 . 0 0 "[ . 1 . 2]" 1
591 1 42 ILE H 1 44 GLN H 0.000 . 6.500 3.905 3.013 4.106 . 0 0 "[ . 1 . 2]" 1
592 1 42 ILE HA 1 43 ILE HB 0.000 . 7.000 5.740 5.524 6.115 . 0 0 "[ . 1 . 2]" 1
593 1 42 ILE HA 1 45 LYS H 0.000 . 3.700 3.399 3.123 3.700 0.000 14 0 "[ . 1 . 2]" 1
594 1 42 ILE HA 1 45 LYS HA 0.000 . 6.000 5.752 5.431 6.021 0.021 8 0 "[ . 1 . 2]" 1
595 1 42 ILE HB 1 43 ILE H 0.000 . 4.500 3.242 2.562 3.707 . 0 0 "[ . 1 . 2]" 1
596 1 42 ILE MD 1 45 LYS HE2 0.000 . 12.000 4.688 3.504 6.913 . 0 0 "[ . 1 . 2]" 1
597 1 42 ILE MD 1 45 LYS HE3 0.000 . 10.000 4.902 3.601 7.490 . 0 0 "[ . 1 . 2]" 1
598 1 42 ILE MG 1 44 GLN H 0.000 . 5.000 4.094 4.054 4.143 . 0 0 "[ . 1 . 2]" 1
599 1 42 ILE MG 1 45 LYS H 0.000 . 10.000 4.896 4.352 5.346 . 0 0 "[ . 1 . 2]" 1
600 1 42 ILE MG 1 45 LYS HE2 0.000 . 8.000 4.844 2.233 6.252 . 0 0 "[ . 1 . 2]" 1
601 1 42 ILE MG 1 45 LYS HE3 0.000 . 8.000 5.046 2.536 6.419 . 0 0 "[ . 1 . 2]" 1
602 1 42 ILE MG 1 46 ASN H 0.000 . 8.000 4.428 4.146 4.897 . 0 0 "[ . 1 . 2]" 1
603 1 42 ILE MG 1 46 ASN HA 0.000 . 8.000 5.910 5.493 6.431 . 0 0 "[ . 1 . 2]" 1
604 1 43 ILE H 1 43 ILE HB 0.000 . 3.600 2.605 2.311 2.857 . 0 0 "[ . 1 . 2]" 1
605 1 43 ILE H 1 43 ILE HG12 0.000 . 5.000 3.609 3.334 4.747 . 0 0 "[ . 1 . 2]" 1
606 1 43 ILE H 1 43 ILE HG13 0.000 . 5.400 2.251 1.790 4.455 . 0 0 "[ . 1 . 2]" 1
607 1 43 ILE H 1 43 ILE MG 0.000 . 4.400 3.645 2.052 3.796 . 0 0 "[ . 1 . 2]" 1
608 1 43 ILE H 1 44 GLN H 0.000 . 4.400 2.691 2.432 2.901 . 0 0 "[ . 1 . 2]" 1
609 1 43 ILE H 1 44 GLN HA 0.000 . 8.000 5.306 5.114 5.478 . 0 0 "[ . 1 . 2]" 1
610 1 43 ILE H 1 45 LYS H 0.000 . 6.000 4.756 4.239 5.071 . 0 0 "[ . 1 . 2]" 1
611 1 43 ILE HA 1 44 GLN H 0.000 . 4.900 3.408 3.204 3.474 . 0 0 "[ . 1 . 2]" 1
612 1 43 ILE HA 1 44 GLN HE22 0.000 . 5.000 4.939 4.713 5.046 0.046 17 0 "[ . 1 . 2]" 1
613 1 43 ILE HA 1 46 ASN H 0.000 . 4.300 3.602 3.321 4.025 . 0 0 "[ . 1 . 2]" 1
614 1 43 ILE HA 1 46 ASN HB2 0.000 . 4.600 3.143 1.995 4.594 . 0 0 "[ . 1 . 2]" 1
615 1 43 ILE HA 1 46 ASN HB3 0.000 . 4.800 3.493 2.093 4.826 0.026 17 0 "[ . 1 . 2]" 1
616 1 43 ILE HA 1 47 ASN H 0.000 . 5.000 3.649 3.300 4.252 . 0 0 "[ . 1 . 2]" 1
617 1 43 ILE HB 1 47 ASN HD21 0.000 . 7.000 5.423 2.945 7.049 0.049 5 0 "[ . 1 . 2]" 1
618 1 43 ILE MD 1 44 GLN HA 0.000 . 7.000 5.709 5.221 5.788 . 0 0 "[ . 1 . 2]" 1
619 1 43 ILE HG12 1 44 GLN H 0.000 . 8.000 5.162 4.052 5.473 . 0 0 "[ . 1 . 2]" 1
620 1 43 ILE HG13 1 44 GLN H 0.000 . 8.000 4.303 4.072 4.528 . 0 0 "[ . 1 . 2]" 1
621 1 43 ILE HG13 1 44 GLN HE22 0.000 . 7.000 4.759 4.078 5.564 . 0 0 "[ . 1 . 2]" 1
622 1 43 ILE HG13 1 47 ASN H 0.000 . 8.000 6.056 3.070 6.870 . 0 0 "[ . 1 . 2]" 1
623 1 43 ILE MG 1 44 GLN HE22 0.000 . 5.000 2.964 1.674 4.115 0.106 11 0 "[ . 1 . 2]" 1
624 1 43 ILE MG 1 47 ASN H 0.000 . 8.000 3.747 3.184 5.065 . 0 0 "[ . 1 . 2]" 1
625 1 43 ILE MG 1 47 ASN HD22 0.000 . 9.000 3.751 2.015 5.810 . 0 0 "[ . 1 . 2]" 1
626 1 44 GLN H 1 44 GLN HB3 0.000 . 4.200 3.522 3.346 3.675 . 0 0 "[ . 1 . 2]" 1
627 1 44 GLN H 1 45 LYS H 0.000 . 4.400 2.748 2.454 3.065 . 0 0 "[ . 1 . 2]" 1
628 1 44 GLN H 1 45 LYS HA 0.000 . 8.000 5.381 5.151 5.628 . 0 0 "[ . 1 . 2]" 1
629 1 44 GLN H 1 46 ASN H 0.000 . 5.300 3.766 3.507 4.077 . 0 0 "[ . 1 . 2]" 1
630 1 44 GLN H 1 47 ASN H 0.000 . 7.000 4.567 4.130 4.786 . 0 0 "[ . 1 . 2]" 1
631 1 44 GLN HA 1 45 LYS H 0.000 . 4.500 3.560 3.377 3.607 . 0 0 "[ . 1 . 2]" 1
632 1 44 GLN HA 1 47 ASN H 0.000 . 4.100 3.467 2.959 3.755 . 0 0 "[ . 1 . 2]" 1
633 1 44 GLN HA 1 47 ASN HB2 0.000 . 4.300 3.152 2.387 4.411 0.111 2 0 "[ . 1 . 2]" 1
634 1 44 GLN HA 1 47 ASN HB3 0.000 . 4.500 3.432 2.139 4.505 0.005 13 0 "[ . 1 . 2]" 1
635 1 44 GLN HA 1 47 ASN HD21 0.000 . 6.300 3.769 3.078 4.451 . 0 0 "[ . 1 . 2]" 1
636 1 44 GLN HA 1 47 ASN HD22 0.000 . 6.500 5.081 2.230 5.987 . 0 0 "[ . 1 . 2]" 1
637 1 44 GLN HA 1 48 CYS H 0.000 . 4.500 3.685 3.211 4.067 . 0 0 "[ . 1 . 2]" 1
638 1 44 GLN HB2 1 45 LYS H 0.000 . 5.100 2.751 2.003 3.526 . 0 0 "[ . 1 . 2]" 1
639 1 44 GLN HB2 1 47 ASN H 0.000 . 6.000 5.739 5.147 6.027 0.027 11 0 "[ . 1 . 2]" 1
640 1 44 GLN HB3 1 47 ASN H 0.000 . 6.000 5.599 5.000 6.016 0.016 6 0 "[ . 1 . 2]" 1
641 1 44 GLN HB3 1 47 ASN HD22 0.000 . 8.000 7.510 3.916 8.021 0.021 13 0 "[ . 1 . 2]" 1
642 1 44 GLN HE21 1 48 CYS H 0.000 . 6.000 5.776 5.109 6.048 0.048 10 0 "[ . 1 . 2]" 1
643 1 44 GLN HG2 1 45 LYS H 0.000 . 7.000 4.959 3.736 5.729 . 0 0 "[ . 1 . 2]" 1
644 1 44 GLN HG2 1 45 LYS HB3 0.000 . 7.000 6.845 6.394 7.021 0.021 17 0 "[ . 1 . 2]" 1
645 1 44 GLN HG3 1 45 LYS H 0.000 . 10.000 4.904 4.459 5.269 . 0 0 "[ . 1 . 2]" 1
646 1 44 GLN HG3 1 47 ASN HB2 0.000 . 8.000 5.092 4.185 7.454 . 0 0 "[ . 1 . 2]" 1
647 1 44 GLN HG3 1 48 CYS HB2 0.000 . 6.000 5.621 4.457 6.042 0.042 18 0 "[ . 1 . 2]" 1
648 1 45 LYS H 1 45 LYS HB2 0.000 . 4.400 3.506 2.203 3.753 . 0 0 "[ . 1 . 2]" 1
649 1 45 LYS H 1 45 LYS HB3 0.000 . 4.400 2.520 2.069 2.963 . 0 0 "[ . 1 . 2]" 1
650 1 45 LYS H 1 46 ASN H 0.000 . 4.100 2.638 1.919 2.963 . 0 0 "[ . 1 . 2]" 1
651 1 45 LYS H 1 46 ASN HB3 0.000 . 7.000 5.736 4.483 6.438 . 0 0 "[ . 1 . 2]" 1
652 1 45 LYS H 1 47 ASN H 0.000 . 6.000 4.475 3.473 4.868 . 0 0 "[ . 1 . 2]" 1
653 1 45 LYS H 1 47 ASN HB2 0.000 . 7.000 5.820 5.119 6.694 . 0 0 "[ . 1 . 2]" 1
654 1 45 LYS H 1 48 CYS HB2 0.000 . 9.000 4.898 4.526 5.388 . 0 0 "[ . 1 . 2]" 1
655 1 45 LYS HA 1 46 ASN H 0.000 . 5.000 3.418 3.293 3.517 . 0 0 "[ . 1 . 2]" 1
656 1 45 LYS HA 1 48 CYS H 0.000 . 4.700 4.121 3.893 4.393 . 0 0 "[ . 1 . 2]" 1
657 1 45 LYS HA 1 48 CYS HA 0.000 . 7.000 5.792 5.544 6.256 . 0 0 "[ . 1 . 2]" 1
658 1 45 LYS HA 1 48 CYS HB2 0.000 . 4.300 3.120 2.761 3.586 . 0 0 "[ . 1 . 2]" 1
659 1 45 LYS HA 1 48 CYS HB3 0.000 . 4.300 3.647 3.278 3.968 . 0 0 "[ . 1 . 2]" 1
660 1 45 LYS HA 1 49 LYS H 0.000 . 4.800 4.799 4.545 4.890 0.090 8 0 "[ . 1 . 2]" 1
661 1 45 LYS HB2 1 46 ASN H 0.000 . 4.700 4.005 3.592 4.301 . 0 0 "[ . 1 . 2]" 1
662 1 45 LYS HB3 1 46 ASN H 0.000 . 6.500 3.812 2.590 4.169 . 0 0 "[ . 1 . 2]" 1
663 1 45 LYS QD 1 46 ASN HA 0.000 . 8.200 4.906 3.580 6.113 . 0 0 "[ . 1 . 2]" 1
664 1 45 LYS QD 1 47 ASN H 0.000 . 10.000 6.507 5.420 7.145 . 0 0 "[ . 1 . 2]" 1
665 1 45 LYS QD 1 48 CYS HB2 0.000 . 10.000 6.802 5.752 7.349 . 0 0 "[ . 1 . 2]" 1
666 1 46 ASN H 1 46 ASN HB2 0.000 . 4.300 2.485 2.264 3.626 . 0 0 "[ . 1 . 2]" 1
667 1 46 ASN H 1 46 ASN HB3 0.000 . 4.400 3.215 2.338 3.681 . 0 0 "[ . 1 . 2]" 1
668 1 46 ASN H 1 47 ASN H 0.000 . 6.000 2.564 2.351 2.967 . 0 0 "[ . 1 . 2]" 1
669 1 46 ASN HA 1 48 CYS H 0.000 . 5.000 4.341 4.014 4.584 . 0 0 "[ . 1 . 2]" 1
670 1 46 ASN HA 1 49 LYS H 0.000 . 4.400 3.538 3.299 3.856 . 0 0 "[ . 1 . 2]" 1
671 1 46 ASN HA 1 49 LYS HB3 0.000 . 5.000 4.745 4.261 5.018 0.018 14 0 "[ . 1 . 2]" 1
672 1 46 ASN HA 1 50 GLY H 0.000 . 5.500 5.400 4.983 5.554 0.054 14 0 "[ . 1 . 2]" 1
673 1 46 ASN HD21 1 47 ASN H 0.000 . 8.000 4.950 4.028 5.917 . 0 0 "[ . 1 . 2]" 1
674 1 47 ASN H 1 47 ASN HB2 0.000 . 4.100 2.557 2.230 3.642 . 0 0 "[ . 1 . 2]" 1
675 1 47 ASN H 1 47 ASN HB3 . . 4.300 3.131 2.357 3.683 . 0 0 "[ . 1 . 2]" 1
676 1 47 ASN H 1 48 CYS H 0.000 . 4.100 2.710 2.113 3.143 . 0 0 "[ . 1 . 2]" 1
677 1 47 ASN H 1 48 CYS HB2 0.000 . 7.000 4.451 3.589 5.002 . 0 0 "[ . 1 . 2]" 1
678 1 47 ASN H 1 49 LYS H 0.000 . 6.000 4.364 3.877 4.620 . 0 0 "[ . 1 . 2]" 1
679 1 47 ASN H 1 49 LYS HB2 0.000 . 7.000 5.295 4.763 5.871 . 0 0 "[ . 1 . 2]" 1
680 1 47 ASN HA 1 48 CYS H 0.000 . 5.300 3.454 3.321 3.524 . 0 0 "[ . 1 . 2]" 1
681 1 47 ASN HA 1 50 GLY H 0.000 . 4.800 3.745 3.473 4.075 . 0 0 "[ . 1 . 2]" 1
682 1 47 ASN HA 1 51 LYS H 0.000 . 6.000 5.579 4.073 6.016 0.016 14 0 "[ . 1 . 2]" 1
683 1 47 ASN HB2 1 48 CYS H 0.000 . 4.500 3.202 2.507 4.130 . 0 0 "[ . 1 . 2]" 1
684 1 47 ASN HB2 1 49 LYS H 0.000 . 7.000 5.569 5.086 6.087 . 0 0 "[ . 1 . 2]" 1
685 1 48 CYS H 1 48 CYS HB2 0.000 . 4.400 2.094 1.977 2.214 . 0 0 "[ . 1 . 2]" 1
686 1 48 CYS H 1 48 CYS HB3 0.000 . 4.300 3.044 2.733 3.223 . 0 0 "[ . 1 . 2]" 1
687 1 48 CYS H 1 49 LYS H 0.000 . 4.100 2.864 2.328 3.090 . 0 0 "[ . 1 . 2]" 1
688 1 48 CYS H 1 49 LYS QD 0.000 . 9.500 6.043 4.986 7.334 . 0 0 "[ . 1 . 2]" 1
689 1 48 CYS H 1 51 LYS H 0.000 . 6.000 5.432 4.736 5.773 . 0 0 "[ . 1 . 2]" 1
690 1 48 CYS HA 1 49 LYS H 0.000 . 4.500 3.486 3.417 3.542 . 0 0 "[ . 1 . 2]" 1
691 1 48 CYS HA 1 51 LYS H 0.000 . 5.500 3.730 3.398 3.974 . 0 0 "[ . 1 . 2]" 1
692 1 48 CYS HA 1 52 CYS H 0.000 . 6.000 4.296 3.329 4.986 . 0 0 "[ . 1 . 2]" 1
693 1 48 CYS HB2 1 49 LYS H 0.000 . 4.500 3.247 3.056 3.612 . 0 0 "[ . 1 . 2]" 1
694 1 48 CYS HB2 1 49 LYS HB2 0.000 . 6.000 5.647 5.175 6.014 0.014 12 0 "[ . 1 . 2]" 1
695 1 48 CYS HB3 1 49 LYS H 0.000 . 4.400 2.385 2.126 2.648 . 0 0 "[ . 1 . 2]" 1
696 1 49 LYS H 1 49 LYS HB2 0.000 . 4.000 2.479 2.162 2.897 . 0 0 "[ . 1 . 2]" 1
697 1 49 LYS H 1 50 GLY H 0.000 . 4.000 2.854 2.644 3.234 . 0 0 "[ . 1 . 2]" 1
698 1 49 LYS H 1 50 GLY HA3 0.000 . 7.000 5.218 4.999 5.412 . 0 0 "[ . 1 . 2]" 1
699 1 49 LYS H 1 51 LYS H 0.000 . 7.000 4.293 3.952 4.580 . 0 0 "[ . 1 . 2]" 1
700 1 49 LYS H 1 52 CYS H 0.000 . 7.000 5.390 4.635 6.008 . 0 0 "[ . 1 . 2]" 1
701 1 49 LYS HA 1 51 LYS H 0.000 . 7.000 3.813 3.475 5.163 . 0 0 "[ . 1 . 2]" 1
702 1 49 LYS HA 1 52 CYS H 0.000 . 4.500 4.203 2.889 4.612 0.112 14 0 "[ . 1 . 2]" 1
703 1 50 GLY H 1 51 LYS H 0.000 . 4.000 2.449 2.126 3.141 . 0 0 "[ . 1 . 2]" 1
704 1 50 GLY H 1 52 CYS H 0.000 . 7.000 4.434 3.732 4.952 . 0 0 "[ . 1 . 2]" 1
705 1 50 GLY HA2 1 51 LYS H 0.000 . 4.700 3.113 2.891 3.501 . 0 0 "[ . 1 . 2]" 1
706 1 50 GLY HA2 1 51 LYS QB 0.000 . 8.000 4.954 4.784 5.134 . 0 0 "[ . 1 . 2]" 1
707 1 50 GLY HA2 1 52 CYS H 0.000 . 8.000 4.788 4.300 5.328 . 0 0 "[ . 1 . 2]" 1
708 1 50 GLY HA2 1 53 LYS H 0.000 . 6.000 4.588 3.438 6.029 0.029 7 0 "[ . 1 . 2]" 1
709 1 50 GLY HA2 1 53 LYS QB 0.000 . 8.000 4.913 3.774 7.195 . 0 0 "[ . 1 . 2]" 1
710 1 50 GLY HA2 1 54 LYS HG2 0.000 . 8.000 6.981 3.697 8.018 0.018 17 0 "[ . 1 . 2]" 1
711 1 50 GLY HA3 1 51 LYS H 0.000 . 4.400 3.266 2.444 3.470 . 0 0 "[ . 1 . 2]" 1
712 1 50 GLY HA3 1 52 CYS H 0.000 . 6.000 5.424 4.430 6.025 0.025 15 0 "[ . 1 . 2]" 1
713 1 51 LYS H 1 51 LYS HD2 0.000 . 5.800 5.127 4.482 5.714 . 0 0 "[ . 1 . 2]" 1
714 1 51 LYS H 1 52 CYS H 0.000 . 3.800 2.344 1.956 3.326 . 0 0 "[ . 1 . 2]" 1
715 1 51 LYS H 1 52 CYS HA 0.000 . 6.000 4.893 4.617 5.704 . 0 0 "[ . 1 . 2]" 1
716 1 51 LYS H 1 52 CYS QB 0.000 . 8.000 4.555 3.982 5.264 . 0 0 "[ . 1 . 2]" 1
717 1 51 LYS H 1 53 LYS H 0.000 . 7.000 3.559 2.672 5.074 . 0 0 "[ . 1 . 2]" 1
718 1 51 LYS HA 1 51 LYS HD2 0.000 . 5.400 4.572 3.896 5.008 . 0 0 "[ . 1 . 2]" 1
719 1 51 LYS HA 1 52 CYS H 0.000 . 4.300 3.537 3.352 3.649 . 0 0 "[ . 1 . 2]" 1
720 1 51 LYS QB 1 52 CYS H 0.000 . 5.000 2.965 1.932 3.636 . 0 0 "[ . 1 . 2]" 1
721 1 51 LYS HD2 1 52 CYS H 0.000 . 6.900 4.813 4.176 5.346 . 0 0 "[ . 1 . 2]" 1
722 1 51 LYS HD3 1 52 CYS H 0.000 . 8.000 4.224 3.001 4.813 . 0 0 "[ . 1 . 2]" 1
723 1 51 LYS HG2 1 52 CYS H 0.000 . 7.000 2.142 1.804 2.707 . 0 0 "[ . 1 . 2]" 1
724 1 51 LYS HG3 1 52 CYS H 0.000 . 8.000 3.161 2.639 4.036 . 0 0 "[ . 1 . 2]" 1
725 1 52 CYS H 1 53 LYS QB 0.000 . 9.000 4.513 3.919 5.515 . 0 0 "[ . 1 . 2]" 1
726 1 52 CYS HA 1 53 LYS H 0.000 . 3.700 3.417 2.405 3.555 . 0 0 "[ . 1 . 2]" 1
727 1 52 CYS QB 1 53 LYS H 0.000 . 5.900 2.866 1.772 3.851 0.008 16 0 "[ . 1 . 2]" 1
728 1 53 LYS HA 1 54 LYS H 0.000 . 3.700 2.447 1.993 3.377 . 0 0 "[ . 1 . 2]" 1
729 1 54 LYS H 1 55 GLU H 0.000 . 5.000 3.560 2.047 4.606 . 0 0 "[ . 1 . 2]" 1
730 1 54 LYS HA 1 55 GLU H 0.000 . 3.600 2.644 2.118 3.507 . 0 0 "[ . 1 . 2]" 1
731 1 54 LYS HA 1 55 GLU HG3 0.000 . 7.000 5.842 3.368 6.825 . 0 0 "[ . 1 . 2]" 1
732 1 54 LYS HB2 1 55 GLU H 0.000 . 5.300 3.722 2.063 4.566 . 0 0 "[ . 1 . 2]" 1
733 1 54 LYS HB3 1 55 GLU H 0.000 . 6.000 3.933 2.358 4.475 . 0 0 "[ . 1 . 2]" 1
734 1 54 LYS HD3 1 55 GLU H 0.000 . 8.000 5.334 3.914 6.655 . 0 0 "[ . 1 . 2]" 1
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