NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578002 |
2md0   |
19460 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2md0
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 1100
_Distance_constraint_stats_list.Viol_count 2141
_Distance_constraint_stats_list.Viol_total 2103.975
_Distance_constraint_stats_list.Viol_max 0.230
_Distance_constraint_stats_list.Viol_rms 0.0111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0328
_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 ASP 0.416 0.064 11 0 "[ . 1 . 2 . 3]"
1 3 ILE 0.880 0.064 11 0 "[ . 1 . 2 . 3]"
1 4 ARG 0.179 0.039 6 0 "[ . 1 . 2 . 3]"
1 5 THR 3.468 0.137 14 0 "[ . 1 . 2 . 3]"
1 6 ALA 0.500 0.041 22 0 "[ . 1 . 2 . 3]"
1 7 ALA 0.064 0.024 1 0 "[ . 1 . 2 . 3]"
1 8 ASP 1.176 0.094 29 0 "[ . 1 . 2 . 3]"
1 9 MET 3.284 0.094 29 0 "[ . 1 . 2 . 3]"
1 10 GLU 3.942 0.091 11 0 "[ . 1 . 2 . 3]"
1 11 HIS 3.202 0.092 23 0 "[ . 1 . 2 . 3]"
1 12 CYS 4.106 0.092 23 0 "[ . 1 . 2 . 3]"
1 13 ALA 2.441 0.079 10 0 "[ . 1 . 2 . 3]"
1 14 ASP 0.737 0.051 23 0 "[ . 1 . 2 . 3]"
1 15 GLU 2.628 0.081 11 0 "[ . 1 . 2 . 3]"
1 16 LYS 2.369 0.067 20 0 "[ . 1 . 2 . 3]"
1 17 ASN 0.769 0.056 7 0 "[ . 1 . 2 . 3]"
1 18 PHE 0.684 0.046 2 0 "[ . 1 . 2 . 3]"
1 19 ASP 1.149 0.100 7 0 "[ . 1 . 2 . 3]"
1 20 CYS 3.102 0.100 7 0 "[ . 1 . 2 . 3]"
1 21 ARG 3.968 0.095 16 0 "[ . 1 . 2 . 3]"
1 22 ARG 14.279 0.230 27 0 "[ . 1 . 2 . 3]"
1 23 SER 2.907 0.076 12 0 "[ . 1 . 2 . 3]"
1 24 LEU 2.166 0.073 20 0 "[ . 1 . 2 . 3]"
1 25 ARG 1.708 0.052 13 0 "[ . 1 . 2 . 3]"
1 26 ASN 12.456 0.230 27 0 "[ . 1 . 2 . 3]"
1 27 GLY 1.447 0.071 11 0 "[ . 1 . 2 . 3]"
1 28 ASP 2.306 0.058 12 0 "[ . 1 . 2 . 3]"
1 29 CYS 0.047 0.023 29 0 "[ . 1 . 2 . 3]"
1 30 ASP 0.681 0.047 18 0 "[ . 1 . 2 . 3]"
1 31 ASN 4.389 0.085 4 0 "[ . 1 . 2 . 3]"
1 32 ASP 0.082 0.010 11 0 "[ . 1 . 2 . 3]"
1 33 ASP 3.543 0.149 10 0 "[ . 1 . 2 . 3]"
1 34 LYS 6.068 0.109 11 0 "[ . 1 . 2 . 3]"
1 35 LEU 3.821 0.109 11 0 "[ . 1 . 2 . 3]"
1 36 LEU 0.585 0.054 18 0 "[ . 1 . 2 . 3]"
1 37 GLU 0.413 0.038 11 0 "[ . 1 . 2 . 3]"
1 38 MET 2.166 0.062 7 0 "[ . 1 . 2 . 3]"
1 39 GLY 1.541 0.064 22 0 "[ . 1 . 2 . 3]"
1 40 TYR 2.486 0.062 7 0 "[ . 1 . 2 . 3]"
1 41 TYR 2.948 0.096 12 0 "[ . 1 . 2 . 3]"
1 42 CYS 4.308 0.096 12 0 "[ . 1 . 2 . 3]"
1 43 PRO 1.917 0.069 11 0 "[ . 1 . 2 . 3]"
1 44 VAL 2.119 0.052 6 0 "[ . 1 . 2 . 3]"
1 45 THR 2.323 0.070 11 0 "[ . 1 . 2 . 3]"
1 46 CYS 3.502 0.070 11 0 "[ . 1 . 2 . 3]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 48 PHE 4.229 0.081 16 0 "[ . 1 . 2 . 3]"
1 49 CYS 3.552 0.081 16 0 "[ . 1 . 2 . 3]"
1 50 GLU 1.013 0.066 21 0 "[ . 1 . 2 . 3]"
1 51 PRO 0.477 0.066 21 0 "[ . 1 . 2 . 3]"
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 ASP HA 1 3 ILE H 0.000 . 2.920 2.247 2.175 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 ASP HA 1 3 ILE MD 0.000 . 5.500 4.744 3.516 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 2 ASP QB 1 4 ARG H 0.000 . 3.320 2.486 2.250 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 ASP QB 1 4 ARG QB 0.000 . 4.730 2.931 2.702 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 ASP QB 1 4 ARG QG 0.000 . 4.280 2.988 2.398 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 ASP QB 1 5 THR H 0.000 . 4.310 3.860 3.486 4.340 0.030 8 0 "[ . 1 . 2 . 3]" 1
7 1 2 ASP HB2 1 3 ILE H 0.000 . 4.210 3.953 2.688 4.274 0.064 11 0 "[ . 1 . 2 . 3]" 1
8 1 2 ASP HB3 1 3 ILE H 0.000 . 4.210 3.375 2.896 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 3 ILE H 1 3 ILE HB 0.000 . 3.070 2.528 2.477 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 3 ILE H 1 3 ILE MD 0.000 . 4.630 3.387 2.675 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 3 ILE H 1 3 ILE HG12 0.000 . 3.800 3.214 2.056 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 3 ILE H 1 3 ILE QG 0.000 . 3.130 2.130 2.044 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 ILE H 1 3 ILE MG 0.000 . 3.870 3.779 3.762 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 3 ILE H 1 4 ARG H 0.000 . 3.280 2.578 2.427 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 3 ILE H 1 4 ARG QG 0.000 . 5.280 3.615 3.422 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 3 ILE HA 1 3 ILE MD 0.000 . 4.650 3.472 2.002 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 3 ILE HA 1 3 ILE MG 0.000 . 3.430 2.249 2.194 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 ILE HA 1 4 ARG H 0.000 . 3.450 3.307 3.228 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 ILE HA 1 5 THR MG 0.000 . 4.960 3.224 2.865 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 ILE HB 1 4 ARG H 0.000 . 4.200 3.495 3.404 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 ILE QG 1 4 ARG H 0.000 . 4.230 4.226 4.164 4.269 0.039 6 0 "[ . 1 . 2 . 3]" 1
22 1 3 ILE MG 1 4 ARG H 0.000 . 4.150 4.056 3.984 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 ILE MG 1 4 ARG HA 0.000 . 5.470 4.011 3.914 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 ILE MG 1 5 THR H 0.000 . 4.670 4.110 3.963 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 ILE MG 1 5 THR MG 0.000 . 3.930 3.926 3.781 3.976 0.046 18 0 "[ . 1 . 2 . 3]" 1
26 1 3 ILE MG 1 6 ALA H 0.000 . 5.060 3.828 3.290 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 ILE MG 1 6 ALA MB 0.000 . 4.830 2.935 2.039 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 4 ARG H 1 4 ARG QB 0.000 . 2.980 2.446 2.417 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 4 ARG H 1 4 ARG HG2 0.000 . 3.830 3.287 2.086 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 4 ARG H 1 4 ARG QG 0.000 . 3.180 2.214 2.051 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 4 ARG H 1 4 ARG HG3 0.000 . 3.830 2.382 2.073 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 4 ARG H 1 5 THR H 0.000 . 3.360 2.605 2.548 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 ARG H 1 6 ALA MB 0.000 . 5.500 5.267 4.878 5.509 0.009 20 0 "[ . 1 . 2 . 3]" 1
34 1 4 ARG HA 1 4 ARG QD 0.000 . 4.370 3.783 2.107 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 ARG HA 1 4 ARG QG 0.000 . 3.540 2.407 2.331 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 ARG HA 1 6 ALA H 0.000 . 3.990 3.271 3.017 3.995 0.005 28 0 "[ . 1 . 2 . 3]" 1
37 1 4 ARG QB 1 4 ARG QD 0.000 . 3.260 2.215 2.120 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 ARG QB 1 5 THR H 0.000 . 3.920 3.322 2.750 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 ARG QB 1 5 THR HB 0.000 . 5.200 4.552 4.095 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 ARG QB 1 6 ALA H 0.000 . 5.260 4.421 4.143 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 ARG HB2 1 4 ARG QD 0.000 . 3.860 2.648 2.356 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 ARG HB2 1 5 THR H 0.000 . 4.620 3.472 2.820 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 ARG HB3 1 4 ARG QD 0.000 . 3.860 2.439 2.257 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 ARG HB3 1 5 THR H 0.000 . 4.620 4.248 3.813 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 ARG QG 1 5 THR H 0.000 . 4.640 4.253 4.076 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 5 THR H 1 5 THR HA 0.000 . 2.830 2.918 2.826 2.967 0.137 14 0 "[ . 1 . 2 . 3]" 1
47 1 5 THR H 1 5 THR HB 0.000 . 4.180 2.424 2.208 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 5 THR H 1 5 THR MG 0.000 . 3.400 2.361 1.969 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 5 THR H 1 6 ALA H 0.000 . 3.740 2.526 2.133 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 5 THR HA 1 5 THR MG 0.000 . 3.320 3.161 3.130 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 5 THR HB 1 6 ALA H 0.000 . 4.170 4.175 3.975 4.211 0.041 22 0 "[ . 1 . 2 . 3]" 1
52 1 5 THR MG 1 6 ALA H 0.000 . 3.930 2.743 1.796 3.001 0.004 28 0 "[ . 1 . 2 . 3]" 1
53 1 5 THR MG 1 6 ALA MB 0.000 . 4.010 3.441 3.014 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 5 THR MG 1 7 ALA H 0.000 . 4.990 4.242 2.315 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 6 ALA H 1 6 ALA MB 0.000 . 2.830 2.182 2.050 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 6 ALA H 1 7 ALA H 0.000 . 3.260 2.586 2.446 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 6 ALA HA 1 7 ALA H 0.000 . 3.480 3.315 2.706 3.504 0.024 1 0 "[ . 1 . 2 . 3]" 1
58 1 6 ALA MB 1 7 ALA H 0.000 . 3.740 3.221 2.802 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 7 ALA H 1 7 ALA MB 0.000 . 2.840 2.274 2.044 2.854 0.014 18 0 "[ . 1 . 2 . 3]" 1
60 1 7 ALA HA 1 8 ASP H 0.000 . 2.810 2.295 2.180 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 7 ALA HA 1 9 MET H 0.000 . 4.530 3.710 3.440 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 7 ALA MB 1 8 ASP H 0.000 . 3.180 2.869 2.016 3.192 0.012 18 0 "[ . 1 . 2 . 3]" 1
63 1 7 ALA MB 1 8 ASP HA 0.000 . 5.250 4.117 3.875 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 7 ALA MB 1 9 MET H 0.000 . 4.680 2.576 1.986 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 7 ALA MB 1 9 MET QB 0.000 . 5.340 3.725 2.509 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 8 ASP H 1 8 ASP QB 0.000 . 3.120 2.556 2.368 3.150 0.030 12 0 "[ . 1 . 2 . 3]" 1
67 1 8 ASP H 1 9 MET HA 0.000 . 4.850 4.468 3.810 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 8 ASP H 1 9 MET ME 0.000 . 5.500 5.535 5.466 5.594 0.094 29 0 "[ . 1 . 2 . 3]" 1
69 1 8 ASP HA 1 9 MET H 0.000 . 3.470 3.203 3.115 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 8 ASP HA 1 10 GLU H 0.000 . 4.660 3.546 2.881 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 8 ASP QB 1 9 MET H 0.000 . 4.120 3.562 3.350 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 8 ASP HB2 1 9 MET H 0.000 . 4.700 3.902 3.504 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 8 ASP HB2 1 10 GLU H 0.000 . 5.270 4.215 2.656 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 8 ASP HB3 1 9 MET H 0.000 . 4.700 4.245 3.548 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 8 ASP HB3 1 10 GLU H 0.000 . 5.270 4.069 2.573 5.298 0.028 27 0 "[ . 1 . 2 . 3]" 1
76 1 9 MET H 1 9 MET HB2 0.000 . 4.120 2.783 2.282 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 9 MET H 1 9 MET QB 0.000 . 3.310 2.706 2.257 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 9 MET H 1 9 MET HB3 0.000 . 4.120 3.816 3.572 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 9 MET H 1 9 MET ME 0.000 . 4.680 4.067 3.677 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 9 MET H 1 9 MET QG 0.000 . 3.480 2.676 2.224 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 9 MET H 1 10 GLU H 0.000 . 3.040 2.763 2.516 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 9 MET HA 1 9 MET ME 0.000 . 3.990 2.024 1.917 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 9 MET HA 1 9 MET QG 0.000 . 3.530 2.512 2.101 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 9 MET HA 1 10 GLU H 0.000 . 3.070 3.103 2.948 3.161 0.091 11 0 "[ . 1 . 2 . 3]" 1
85 1 9 MET HA 1 11 HIS H 0.000 . 5.000 3.280 2.942 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 9 MET HA 1 11 HIS QB 0.000 . 5.340 4.596 4.092 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 9 MET QB 1 10 GLU H 0.000 . 3.890 3.623 3.533 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 9 MET HB2 1 10 GLU H 0.000 . 4.430 3.891 3.747 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 9 MET HB3 1 10 GLU H 0.000 . 4.430 4.325 4.239 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 9 MET ME 1 9 MET HG2 0.000 . 3.920 2.743 2.226 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 9 MET ME 1 9 MET QG 0.000 . 3.260 2.344 2.194 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 9 MET ME 1 9 MET HG3 0.000 . 3.920 2.999 2.429 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 9 MET ME 1 10 GLU H 0.000 . 5.390 4.502 4.270 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 9 MET ME 1 10 GLU HA 0.000 . 5.130 5.161 5.082 5.217 0.087 29 0 "[ . 1 . 2 . 3]" 1
95 1 9 MET ME 1 11 HIS H 0.000 . 4.590 4.057 3.412 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 9 MET ME 1 11 HIS QB 0.000 . 5.310 4.611 3.758 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 9 MET ME 1 12 CYS HA 0.000 . 5.000 3.821 3.072 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 9 MET ME 1 12 CYS QB 0.000 . 5.310 4.856 3.890 5.333 0.023 23 0 "[ . 1 . 2 . 3]" 1
99 1 9 MET QG 1 10 GLU H 0.000 . 5.340 4.563 4.448 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 10 GLU H 1 10 GLU QB 0.000 . 2.650 2.281 2.246 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 10 GLU H 1 10 GLU HG2 0.000 . 4.580 4.510 4.452 4.646 0.066 29 0 "[ . 1 . 2 . 3]" 1
102 1 10 GLU H 1 10 GLU QG 0.000 . 4.030 3.995 3.973 4.046 0.016 24 0 "[ . 1 . 2 . 3]" 1
103 1 10 GLU H 1 10 GLU HG3 0.000 . 4.580 4.463 4.412 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 10 GLU H 1 11 HIS H 0.000 . 2.680 2.539 2.368 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 10 GLU H 1 11 HIS HA 0.000 . 5.230 5.206 5.054 5.279 0.049 14 0 "[ . 1 . 2 . 3]" 1
106 1 10 GLU HA 1 10 GLU HG2 0.000 . 4.150 3.095 2.883 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 10 GLU HA 1 10 GLU QG 0.000 . 3.550 2.449 2.319 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 10 GLU HA 1 10 GLU HG3 0.000 . 4.150 2.570 2.428 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 10 GLU HA 1 11 HIS H 0.000 . 3.510 3.443 3.335 3.519 0.009 14 0 "[ . 1 . 2 . 3]" 1
110 1 10 GLU QB 1 11 HIS H 0.000 . 3.930 3.003 2.737 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 10 GLU QB 1 12 CYS H 0.000 . 6.000 6.009 5.935 6.059 0.059 11 0 "[ . 1 . 2 . 3]" 1
112 1 10 GLU QG 1 11 HIS H 0.000 . 4.740 4.013 3.771 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 10 GLU QG 1 12 CYS H 0.000 . 5.340 5.347 5.189 5.394 0.054 1 0 "[ . 1 . 2 . 3]" 1
114 1 11 HIS H 1 11 HIS HB2 0.000 . 3.670 2.504 2.443 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 11 HIS H 1 11 HIS QB 0.000 . 3.040 2.466 2.410 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 11 HIS H 1 11 HIS HB3 0.000 . 3.670 3.692 3.676 3.714 0.044 7 0 "[ . 1 . 2 . 3]" 1
117 1 11 HIS H 1 11 HIS HD2 0.000 . 5.000 4.715 3.278 5.046 0.046 17 0 "[ . 1 . 2 . 3]" 1
118 1 11 HIS H 1 12 CYS H 0.000 . 4.340 4.399 4.335 4.432 0.092 23 0 "[ . 1 . 2 . 3]" 1
119 1 11 HIS HA 1 12 CYS H 0.000 . 3.020 2.168 2.136 2.184 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 11 HIS QB 1 12 CYS H 0.000 . 3.710 3.328 3.231 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 11 HIS QB 1 12 CYS HA 0.000 . 5.210 4.299 4.209 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 11 HIS HB2 1 12 CYS H 0.000 . 4.560 4.275 4.130 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 11 HIS HB2 1 13 ALA MB 0.000 . 5.500 5.325 4.604 5.550 0.050 5 0 "[ . 1 . 2 . 3]" 1
124 1 11 HIS HB3 1 12 CYS H 0.000 . 4.560 3.471 3.350 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 11 HIS HB3 1 13 ALA MB 0.000 . 5.500 4.721 4.342 5.215 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 11 HIS HD2 1 12 CYS H 0.000 . 5.000 4.712 4.273 5.011 0.011 30 0 "[ . 1 . 2 . 3]" 1
127 1 12 CYS CB 1 49 CYS SG 0.000 . 3.100 3.020 3.009 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 12 CYS H 1 12 CYS HB2 0.000 . 3.960 2.614 2.490 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 12 CYS H 1 12 CYS QB 0.000 . 3.350 2.565 2.452 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 12 CYS H 1 12 CYS HB3 0.000 . 3.960 3.733 3.664 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 12 CYS H 1 13 ALA H 0.000 . 4.690 4.530 4.465 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 12 CYS H 1 13 ALA MB 0.000 . 4.900 4.899 4.748 4.979 0.079 10 0 "[ . 1 . 2 . 3]" 1
133 1 12 CYS H 1 44 VAL QG 0.000 . 5.030 3.646 3.155 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 12 CYS H 1 51 PRO HA . . 4.500 4.220 3.840 4.520 0.020 20 0 "[ . 1 . 2 . 3]" 1
135 1 12 CYS HA 1 13 ALA H 0.000 . 2.580 2.300 2.209 2.438 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 12 CYS HA 1 13 ALA MB 0.000 . 4.760 3.890 3.813 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 12 CYS HA 1 43 PRO QG 0.000 . 4.750 3.774 3.533 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 12 CYS HA 1 44 VAL QG 0.000 . 4.300 3.926 3.868 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 12 CYS HA 1 49 CYS QB 0.000 . 5.340 4.410 4.338 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 12 CYS QB 1 13 ALA H 0.000 . 3.690 2.892 2.543 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 12 CYS QB 1 43 PRO QB 0.000 . 5.140 2.713 2.536 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 12 CYS QB 1 44 VAL HA 0.000 . 4.170 4.169 4.114 4.208 0.038 12 0 "[ . 1 . 2 . 3]" 1
143 1 12 CYS QB 1 44 VAL HB 0.000 . 4.840 4.585 4.449 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 12 CYS QB 1 44 VAL MG1 0.000 . 4.470 4.356 4.209 4.520 0.050 5 0 "[ . 1 . 2 . 3]" 1
145 1 12 CYS QB 1 44 VAL QG . . 3.730 2.177 2.129 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 12 CYS QB 1 44 VAL MG2 0.000 . 4.470 2.183 2.134 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 12 CYS QB 1 49 CYS HB2 0.000 . 3.990 2.921 2.214 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 12 CYS QB 1 49 CYS QB . . 3.400 1.991 1.933 2.046 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 12 CYS QB 1 49 CYS HB3 0.000 . 3.990 2.070 1.950 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 12 CYS QB 1 50 GLU H 0.000 . 4.620 3.491 2.971 4.635 0.015 29 0 "[ . 1 . 2 . 3]" 1
151 1 12 CYS HB2 1 44 VAL H 0.000 . 5.500 4.479 3.717 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 12 CYS HB2 1 49 CYS HB2 0.000 . 4.570 3.293 2.234 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 12 CYS HB2 1 49 CYS HB3 0.000 . 4.570 2.180 1.997 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 12 CYS HB3 1 44 VAL H 0.000 . 5.500 4.135 3.963 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 12 CYS HB3 1 49 CYS HB2 0.000 . 4.570 3.507 3.333 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 12 CYS HB3 1 49 CYS HB3 0.000 . 4.570 2.795 2.263 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 12 CYS SG 1 49 CYS CB 0.000 . 3.100 3.025 3.011 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 12 CYS SG 1 49 CYS SG 0.000 . 2.100 2.019 2.016 2.022 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 13 ALA H 1 13 ALA MB 0.000 . 3.010 2.590 2.510 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 13 ALA H 1 14 ASP H 0.000 . 4.650 4.446 4.432 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 13 ALA H 1 43 PRO QD 0.000 . 4.480 4.100 3.956 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 13 ALA H 1 43 PRO HG2 0.000 . 3.860 3.369 3.273 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 13 ALA H 1 43 PRO QG 0.000 . 3.260 3.177 3.110 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 13 ALA H 1 43 PRO HG3 0.000 . 3.860 3.891 3.853 3.929 0.069 11 0 "[ . 1 . 2 . 3]" 1
165 1 13 ALA H 1 44 VAL HB 0.000 . 5.490 5.433 5.305 5.496 0.006 28 0 "[ . 1 . 2 . 3]" 1
166 1 13 ALA H 1 44 VAL QG 0.000 . 3.580 3.385 3.208 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 13 ALA HA 1 14 ASP H 0.000 . 2.520 2.315 2.294 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 13 ALA HA 1 44 VAL H 0.000 . 4.800 4.703 4.517 4.814 0.014 4 0 "[ . 1 . 2 . 3]" 1
169 1 13 ALA HA 1 44 VAL HB 0.000 . 4.270 3.708 3.472 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 13 ALA HA 1 44 VAL QG 0.000 . 2.810 2.221 2.142 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 13 ALA MB 1 14 ASP H 0.000 . 2.950 2.776 2.668 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 13 ALA MB 1 14 ASP HB2 0.000 . 5.500 4.906 4.355 5.531 0.031 30 0 "[ . 1 . 2 . 3]" 1
173 1 13 ALA MB 1 14 ASP QB 0.000 . 4.780 4.427 4.181 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 13 ALA MB 1 14 ASP HB3 0.000 . 5.500 5.255 4.942 5.492 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 13 ALA MB 1 15 GLU H 0.000 . 5.310 5.192 5.021 5.340 0.030 6 0 "[ . 1 . 2 . 3]" 1
176 1 13 ALA MB 1 15 GLU HA 0.000 . 5.150 4.672 4.508 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 13 ALA MB 1 44 VAL HB 0.000 . 5.120 5.030 4.839 5.138 0.018 28 0 "[ . 1 . 2 . 3]" 1
178 1 13 ALA MB 1 44 VAL QG 0.000 . 3.590 3.587 3.437 3.635 0.045 21 0 "[ . 1 . 2 . 3]" 1
179 1 14 ASP H 1 14 ASP QB 0.000 . 2.790 2.487 2.360 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 14 ASP H 1 15 GLU H 0.000 . 4.640 4.636 4.600 4.667 0.027 22 0 "[ . 1 . 2 . 3]" 1
181 1 14 ASP H 1 42 CYS HA 0.000 . 5.220 4.957 4.861 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 14 ASP H 1 43 PRO QD 0.000 . 4.770 4.646 4.500 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 14 ASP H 1 44 VAL H 0.000 . 4.790 4.596 4.429 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 14 ASP H 1 44 VAL HB 0.000 . 3.640 3.335 3.068 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 14 ASP H 1 44 VAL QG 0.000 . 3.530 3.176 3.021 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 14 ASP H 1 45 THR H 0.000 . 5.190 4.935 4.673 5.155 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 14 ASP HA 1 15 GLU H 0.000 . 2.810 2.252 2.198 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 14 ASP HA 1 42 CYS H 0.000 . 5.050 5.064 5.018 5.101 0.051 23 0 "[ . 1 . 2 . 3]" 1
189 1 14 ASP HA 1 42 CYS HA 0.000 . 3.590 2.176 2.130 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 14 ASP HA 1 43 PRO QD 0.000 . 3.070 2.604 2.376 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 14 ASP HA 1 43 PRO QG 0.000 . 5.050 4.063 3.823 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 14 ASP HA 1 44 VAL H 0.000 . 4.150 3.608 3.437 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 14 ASP HA 1 45 THR H 0.000 . 4.880 3.924 3.770 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 14 ASP QB 1 15 GLU H 0.000 . 3.420 3.006 2.776 3.136 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 14 ASP QB 1 42 CYS HA 0.000 . 4.270 3.406 3.019 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 14 ASP QB 1 43 PRO QD 0.000 . 4.900 4.344 3.919 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 14 ASP QB 1 44 VAL H 0.000 . 5.340 4.478 3.696 5.042 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 14 ASP QB 1 44 VAL HB 0.000 . 4.170 3.561 2.660 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 14 ASP QB 1 44 VAL QG 0.000 . 4.440 3.881 3.321 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 14 ASP QB 1 45 THR H 0.000 . 4.450 3.642 2.785 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 14 ASP HB2 1 42 CYS HA 0.000 . 4.930 4.247 3.226 4.951 0.021 3 0 "[ . 1 . 2 . 3]" 1
202 1 14 ASP HB2 1 45 THR H 0.000 . 5.090 4.602 3.901 5.120 0.030 28 0 "[ . 1 . 2 . 3]" 1
203 1 14 ASP HB3 1 42 CYS HA 0.000 . 4.930 3.706 3.414 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 14 ASP HB3 1 45 THR H 0.000 . 5.090 3.843 2.852 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 15 GLU H 1 15 GLU HB2 0.000 . 3.520 2.123 2.091 2.158 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 15 GLU H 1 15 GLU QB 0.000 . 2.800 2.103 2.068 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 15 GLU H 1 15 GLU HB3 0.000 . 3.520 3.399 3.264 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 15 GLU H 1 15 GLU HG2 0.000 . 4.530 3.957 3.860 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 15 GLU H 1 15 GLU QG 0.000 . 3.890 3.532 3.284 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 15 GLU H 1 15 GLU HG3 0.000 . 4.530 4.001 3.556 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 15 GLU H 1 16 LYS H 0.000 . 4.850 4.642 4.595 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 15 GLU H 1 18 PHE H 0.000 . 5.500 5.002 4.810 5.186 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 15 GLU H 1 18 PHE QB 0.000 . 4.760 3.835 3.494 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 15 GLU H 1 41 TYR HA 0.000 . 4.610 3.966 3.779 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 15 GLU H 1 41 TYR QB 0.000 . 4.510 4.053 3.907 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 15 GLU H 1 41 TYR QD 0.000 . 5.170 5.001 4.813 5.146 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 15 GLU H 1 42 CYS HA 0.000 . 4.050 2.713 2.614 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 15 GLU H 1 42 CYS QB 0.000 . 4.600 3.889 3.620 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 15 GLU H 1 43 PRO QD 0.000 . 3.720 3.500 3.349 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 15 GLU H 1 44 VAL H 0.000 . 5.500 5.529 5.502 5.552 0.052 6 0 "[ . 1 . 2 . 3]" 1
221 1 15 GLU HA 1 15 GLU HG2 0.000 . 3.670 2.805 1.960 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 15 GLU HA 1 15 GLU QG 0.000 . 3.120 2.230 1.940 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 15 GLU HA 1 15 GLU HG3 0.000 . 3.670 2.803 2.501 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 15 GLU HA 1 16 LYS H 0.000 . 2.480 2.226 2.180 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 15 GLU HA 1 16 LYS QB 0.000 . 4.540 4.330 4.273 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 15 GLU HA 1 16 LYS QG 0.000 . 4.610 3.960 3.855 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 15 GLU HA 1 17 ASN H 0.000 . 4.070 3.840 3.621 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 15 GLU HA 1 41 TYR QD 0.000 . 5.250 5.170 4.884 5.268 0.018 21 0 "[ . 1 . 2 . 3]" 1
229 1 15 GLU QB 1 16 LYS H 0.000 . 3.760 3.218 3.090 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 15 GLU QB 1 17 ASN H 0.000 . 4.370 2.905 2.675 3.077 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 15 GLU QB 1 17 ASN QB 0.000 . 4.870 3.750 3.531 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 15 GLU QB 1 18 PHE H 0.000 . 3.690 2.251 1.996 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 15 GLU QB 1 18 PHE HA 0.000 . 5.170 4.161 3.911 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 15 GLU QB 1 18 PHE QB 0.000 . 2.690 2.056 1.884 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 15 GLU QB 1 18 PHE QD 0.000 . 4.230 3.790 3.663 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 15 GLU QB 1 41 TYR HA 0.000 . 3.440 2.818 2.615 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 15 GLU QB 1 41 TYR QD 0.000 . 3.140 2.807 2.579 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 15 GLU QB 1 42 CYS H 0.000 . 5.240 4.619 4.353 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 15 GLU QB 1 42 CYS HA 0.000 . 5.340 4.050 3.913 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 15 GLU HB2 1 18 PHE H 0.000 . 4.370 3.708 3.535 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 15 GLU HB2 1 18 PHE HB2 0.000 . 4.160 3.195 2.832 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 15 GLU HB2 1 18 PHE HB3 0.000 . 4.160 2.500 2.294 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 15 GLU HB2 1 18 PHE QD 0.000 . 4.840 4.154 3.996 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 15 GLU HB2 1 41 TYR QD 0.000 . 4.010 3.068 2.830 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 15 GLU HB3 1 18 PHE H 0.000 . 4.370 2.273 2.007 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 15 GLU HB3 1 18 PHE HB2 0.000 . 4.160 2.650 2.270 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 15 GLU HB3 1 18 PHE HB3 0.000 . 4.160 2.446 2.161 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 15 GLU HB3 1 18 PHE QD 0.000 . 4.840 4.384 4.160 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 15 GLU HB3 1 41 TYR QD 0.000 . 4.010 3.263 2.947 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 15 GLU QG 1 16 LYS H 0.000 . 3.430 3.300 3.064 3.461 0.031 18 0 "[ . 1 . 2 . 3]" 1
251 1 15 GLU QG 1 17 ASN H 0.000 . 3.730 3.703 3.629 3.783 0.053 22 0 "[ . 1 . 2 . 3]" 1
252 1 15 GLU QG 1 17 ASN QD 0.000 . 4.590 4.092 3.643 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 15 GLU QG 1 18 PHE HB2 0.000 . 4.550 3.705 3.360 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 15 GLU QG 1 18 PHE QB 0.000 . 3.980 3.397 3.158 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 15 GLU QG 1 18 PHE HB3 0.000 . 4.550 3.964 3.754 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 15 GLU QG 1 18 PHE QD 0.000 . 5.340 5.001 4.668 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 15 GLU QG 1 41 TYR HA 0.000 . 3.880 2.226 2.118 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 15 GLU QG 1 41 TYR QD 0.000 . 3.210 2.293 2.143 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 15 GLU QG 1 42 CYS H 0.000 . 5.340 5.364 5.280 5.421 0.081 11 0 "[ . 1 . 2 . 3]" 1
260 1 15 GLU HG2 1 18 PHE H 0.000 . 4.880 4.711 4.422 4.890 0.010 16 0 "[ . 1 . 2 . 3]" 1
261 1 15 GLU HG2 1 41 TYR QD 0.000 . 3.950 2.966 2.159 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 15 GLU HG3 1 18 PHE H 0.000 . 4.880 4.724 4.459 4.926 0.046 2 0 "[ . 1 . 2 . 3]" 1
263 1 15 GLU HG3 1 41 TYR QD 0.000 . 3.950 3.057 2.240 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 16 LYS H 1 16 LYS QB 0.000 . 2.980 2.570 2.526 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 16 LYS H 1 16 LYS QD 0.000 . 4.040 3.640 3.597 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 16 LYS H 1 16 LYS QG 0.000 . 3.070 1.986 1.909 2.074 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 16 LYS H 1 17 ASN H 0.000 . 3.340 2.347 2.242 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 16 LYS H 1 17 ASN QB 0.000 . 4.780 4.478 4.328 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 16 LYS H 1 17 ASN QD 0.000 . 4.690 4.073 3.787 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 16 LYS H 1 18 PHE H 0.000 . 4.360 3.814 3.717 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 16 LYS HA 1 16 LYS QB 0.000 . 2.750 2.196 2.191 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 16 LYS HA 1 16 LYS QD 0.000 . 4.200 4.255 4.239 4.267 0.067 20 0 "[ . 1 . 2 . 3]" 1
273 1 16 LYS HA 1 16 LYS QG 0.000 . 3.530 3.301 3.294 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 16 LYS HA 1 17 ASN H 0.000 . 3.500 3.486 3.419 3.518 0.018 27 0 "[ . 1 . 2 . 3]" 1
275 1 16 LYS HA 1 18 PHE H 0.000 . 3.980 3.789 3.671 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 16 LYS QB 1 17 ASN H 0.000 . 3.740 3.586 3.505 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 16 LYS QB 1 17 ASN HD21 0.000 . 5.330 5.298 5.165 5.367 0.037 12 0 "[ . 1 . 2 . 3]" 1
278 1 16 LYS QB 1 17 ASN QD 0.000 . 4.560 4.566 4.506 4.616 0.056 7 0 "[ . 1 . 2 . 3]" 1
279 1 16 LYS QB 1 17 ASN HD22 0.000 . 5.330 4.986 4.912 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 16 LYS QB 1 18 PHE H 0.000 . 5.060 4.818 4.714 5.006 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 16 LYS QD 1 16 LYS QG 0.000 . 2.500 2.102 2.098 2.105 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 16 LYS QD 1 17 ASN H 0.000 . 4.820 4.382 4.239 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 16 LYS QD 1 17 ASN QD 0.000 . 4.890 3.871 3.758 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 16 LYS QG 1 17 ASN H 0.000 . 3.720 2.287 2.141 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 16 LYS QG 1 17 ASN HA 0.000 . 4.190 3.299 3.235 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 16 LYS QG 1 17 ASN HD21 0.000 . 4.980 3.173 3.027 3.240 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 16 LYS QG 1 17 ASN HD22 0.000 . 4.980 2.869 2.815 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 16 LYS QG 1 18 PHE H 0.000 . 4.860 4.204 4.108 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 17 ASN H 1 17 ASN QB 0.000 . 2.890 2.462 2.420 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 17 ASN H 1 17 ASN QD 0.000 . 3.150 2.945 2.732 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 17 ASN H 1 18 PHE H 0.000 . 2.890 2.396 2.257 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 17 ASN H 1 18 PHE HB2 0.000 . 5.050 4.535 4.407 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 17 ASN H 1 18 PHE QB 0.000 . 4.450 4.109 4.047 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 17 ASN H 1 18 PHE HB3 0.000 . 5.050 4.703 4.580 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 17 ASN QB 1 17 ASN QD 0.000 . 2.960 2.183 2.175 2.193 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 17 ASN QB 1 17 ASN HD22 0.000 . 3.540 3.292 3.284 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 17 ASN QB 1 18 PHE H 0.000 . 3.550 3.273 3.076 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 17 ASN QB 1 18 PHE HA 0.000 . 4.530 4.171 4.122 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 17 ASN QB 1 18 PHE QB 0.000 . 4.080 3.873 3.771 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 17 ASN QB 1 41 TYR QD 0.000 . 5.500 4.845 4.478 5.187 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 17 ASN QB 1 41 TYR QE 0.000 . 5.500 4.872 4.370 5.384 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 18 PHE H 1 18 PHE HB2 0.000 . 3.170 2.870 2.759 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 18 PHE H 1 18 PHE QB 0.000 . 2.740 2.455 2.411 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 18 PHE H 1 18 PHE HB3 0.000 . 3.170 2.669 2.602 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 18 PHE H 1 18 PHE QD 0.000 . 4.370 4.298 4.267 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 18 PHE H 1 19 ASP H 0.000 . 4.520 4.467 4.423 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 18 PHE H 1 41 TYR QD 0.000 . 5.140 4.731 4.349 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 18 PHE HA 1 18 PHE QD 0.000 . 3.470 2.847 2.693 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 18 PHE HA 1 18 PHE QE 0.000 . 4.960 4.520 4.456 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 18 PHE HA 1 19 ASP H 0.000 . 2.720 2.220 2.197 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 18 PHE HA 1 19 ASP QB 0.000 . 5.340 4.479 4.150 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 18 PHE HA 1 20 CYS H 0.000 . 5.500 5.089 4.992 5.538 0.038 28 0 "[ . 1 . 2 . 3]" 1
313 1 18 PHE HA 1 41 TYR QD 0.000 . 5.500 4.927 4.622 5.306 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 18 PHE QB 1 19 ASP H 0.000 . 4.160 3.723 3.667 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 18 PHE QB 1 38 MET ME 0.000 . 5.340 4.497 4.289 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 18 PHE QB 1 41 TYR QB 0.000 . 3.990 2.564 2.296 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 18 PHE QB 1 41 TYR QD 0.000 . 3.640 2.465 2.220 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 18 PHE HB2 1 41 TYR QD 0.000 . 4.170 2.524 2.258 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 18 PHE HB3 1 41 TYR QD 0.000 . 4.170 3.492 3.126 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 18 PHE QD 1 19 ASP H 0.000 . 3.720 3.439 3.301 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 18 PHE QD 1 20 CYS H 0.000 . 3.620 3.104 2.881 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 18 PHE QD 1 20 CYS HB2 0.000 . 5.250 4.428 4.232 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 18 PHE QD 1 20 CYS QB 0.000 . 4.430 3.754 3.607 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 18 PHE QD 1 20 CYS HB3 0.000 . 5.250 4.056 3.874 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 18 PHE QD 1 21 ARG H 0.000 . 5.500 5.146 4.972 5.515 0.015 28 0 "[ . 1 . 2 . 3]" 1
326 1 18 PHE QD 1 23 SER H 0.000 . 5.000 4.983 4.898 5.034 0.034 28 0 "[ . 1 . 2 . 3]" 1
327 1 18 PHE QD 1 23 SER QB 0.000 . 4.570 3.928 3.734 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 18 PHE QD 1 38 MET ME 0.000 . 4.250 3.331 3.070 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 18 PHE QD 1 41 TYR QB 0.000 . 4.130 3.084 2.933 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 18 PHE QD 1 41 TYR QD 0.000 . 4.340 3.495 2.970 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 18 PHE QD 1 41 TYR QE 0.000 . 4.720 3.951 3.402 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 18 PHE QD 1 42 CYS QB 0.000 . 5.280 4.159 4.064 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 18 PHE QE 1 19 ASP H 0.000 . 4.680 4.326 4.213 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 18 PHE QE 1 20 CYS H 0.000 . 5.120 4.674 4.401 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 18 PHE QE 1 23 SER H 0.000 . 5.000 3.897 3.608 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 18 PHE QE 1 23 SER HA 0.000 . 5.200 4.533 4.449 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 18 PHE QE 1 23 SER QB 0.000 . 3.570 2.149 2.076 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 18 PHE QE 1 28 ASP QB 0.000 . 5.280 4.339 4.164 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 18 PHE QE 1 37 GLU QB 0.000 . 4.970 4.301 3.861 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 18 PHE QE 1 38 MET ME 0.000 . 3.100 2.187 2.029 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 18 PHE QE 1 41 TYR QB 0.000 . 5.060 3.784 3.504 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 18 PHE HZ 1 23 SER HA 0.000 . 5.500 5.014 4.616 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 18 PHE HZ 1 23 SER HB2 0.000 . 5.300 3.842 3.192 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 18 PHE HZ 1 23 SER QB 0.000 . 4.620 3.108 2.418 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 18 PHE HZ 1 23 SER HB3 0.000 . 5.300 3.286 2.505 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 18 PHE HZ 1 28 ASP QB 0.000 . 5.180 4.733 4.525 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 18 PHE HZ 1 37 GLU QB 0.000 . 4.720 4.305 3.904 4.739 0.019 6 0 "[ . 1 . 2 . 3]" 1
348 1 18 PHE HZ 1 38 MET ME 0.000 . 3.530 2.723 2.369 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 19 ASP H 1 19 ASP HB2 0.000 . 3.730 2.531 2.447 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 19 ASP H 1 19 ASP QB 0.000 . 2.880 2.448 2.311 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 19 ASP H 1 19 ASP HB3 0.000 . 3.730 3.543 2.609 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 19 ASP H 1 20 CYS H 0.000 . 4.420 4.060 4.007 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 19 ASP H 1 22 ARG QB 0.000 . 5.500 4.825 4.616 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 19 ASP H 1 23 SER QB 0.000 . 5.340 5.349 5.202 5.416 0.076 12 0 "[ . 1 . 2 . 3]" 1
355 1 19 ASP HA 1 20 CYS H 0.000 . 2.730 2.323 2.163 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 19 ASP HA 1 21 ARG H 0.000 . 4.010 3.517 3.412 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 19 ASP HA 1 22 ARG H 0.000 . 4.510 4.016 3.930 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 19 ASP QB 1 20 CYS H 0.000 . 3.820 3.822 3.800 3.920 0.100 7 0 "[ . 1 . 2 . 3]" 1
359 1 19 ASP QB 1 22 ARG H 0.000 . 3.840 2.718 2.542 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 19 ASP QB 1 22 ARG QB 0.000 . 3.690 2.040 1.954 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 19 ASP QB 1 22 ARG QG . . 4.220 3.421 3.265 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 19 ASP QB 1 23 SER H 0.000 . 4.910 3.454 3.241 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 19 ASP QB 1 23 SER QB 0.000 . 5.180 4.503 4.325 5.069 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 19 ASP HB2 1 20 CYS H 0.000 . 4.610 4.474 4.128 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 19 ASP HB2 1 22 ARG H 0.000 . 4.540 3.854 2.700 4.546 0.006 28 0 "[ . 1 . 2 . 3]" 1
366 1 19 ASP HB2 1 22 ARG QB 0.000 . 4.400 2.630 2.230 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 19 ASP HB3 1 20 CYS H 0.000 . 4.610 4.155 4.094 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 19 ASP HB3 1 22 ARG H 0.000 . 4.540 2.832 2.589 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 19 ASP HB3 1 22 ARG QB 0.000 . 4.400 2.176 2.043 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 20 CYS CB 1 42 CYS SG 0.000 . 3.100 3.015 3.005 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 20 CYS H 1 20 CYS HB2 0.000 . 3.680 2.647 2.604 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 20 CYS H 1 20 CYS QB 0.000 . 2.820 2.583 2.546 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 20 CYS H 1 20 CYS HB3 0.000 . 3.680 3.603 3.580 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 20 CYS H 1 21 ARG H 0.000 . 3.200 2.550 2.426 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 20 CYS H 1 21 ARG HA 0.000 . 5.340 5.217 5.104 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 20 CYS H 1 21 ARG HB2 0.000 . 5.030 4.609 4.540 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 20 CYS H 1 21 ARG QB 0.000 . 4.220 4.269 4.196 4.299 0.079 11 0 "[ . 1 . 2 . 3]" 1
378 1 20 CYS H 1 21 ARG HB3 0.000 . 5.030 5.043 4.915 5.125 0.095 16 0 "[ . 1 . 2 . 3]" 1
379 1 20 CYS H 1 22 ARG H 0.000 . 4.380 4.265 4.097 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 20 CYS H 1 22 ARG QB 0.000 . 5.250 5.133 4.944 5.252 0.002 18 0 "[ . 1 . 2 . 3]" 1
381 1 20 CYS H 1 23 SER H 0.000 . 5.290 4.747 4.652 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 20 CYS H 1 45 THR MG 0.000 . 4.960 4.786 4.598 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 20 CYS HA 1 23 SER HB2 0.000 . 4.600 3.081 2.223 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 20 CYS HA 1 23 SER QB 0.000 . 4.020 2.717 2.209 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 20 CYS HA 1 23 SER HB3 0.000 . 4.600 3.766 3.378 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 20 CYS HA 1 24 LEU HA 0.000 . 5.500 5.502 5.399 5.573 0.073 20 0 "[ . 1 . 2 . 3]" 1
387 1 20 CYS HA 1 28 ASP QB 0.000 . 5.340 5.091 4.959 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 20 CYS HA 1 38 MET ME 0.000 . 4.070 3.705 3.453 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 20 CYS HA 1 45 THR HB 0.000 . 5.220 4.678 4.479 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 20 CYS HA 1 45 THR MG 0.000 . 4.110 3.709 3.404 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 20 CYS QB 1 21 ARG H 0.000 . 3.470 2.637 2.571 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 20 CYS QB 1 21 ARG HA 0.000 . 4.090 3.883 3.855 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 20 CYS QB 1 21 ARG QB 0.000 . 4.850 3.974 3.917 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 20 CYS QB 1 23 SER H 0.000 . 5.340 4.859 4.727 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 20 CYS QB 1 24 LEU QB 0.000 . 4.670 3.658 3.496 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 20 CYS QB 1 42 CYS HA 0.000 . 5.210 4.332 4.206 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 20 CYS QB 1 42 CYS QB 0.000 . 4.080 2.241 2.168 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 20 CYS QB 1 45 THR H 0.000 . 4.540 4.363 4.249 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 20 CYS QB 1 45 THR HA 0.000 . 4.620 4.496 4.273 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 20 CYS QB 1 45 THR MG 0.000 . 3.070 2.079 1.999 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 20 CYS QB 1 46 CYS H 0.000 . 5.290 4.971 4.833 5.070 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 20 CYS HB2 1 21 ARG H 0.000 . 4.340 2.682 2.610 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 20 CYS HB2 1 45 THR HA 0.000 . 5.410 5.329 5.109 5.434 0.024 21 0 "[ . 1 . 2 . 3]" 1
404 1 20 CYS HB2 1 45 THR HB 0.000 . 5.140 3.912 3.596 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 20 CYS HB2 1 45 THR MG 0.000 . 3.580 2.646 2.339 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 20 CYS HB3 1 21 ARG H 0.000 . 4.340 3.888 3.840 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 20 CYS HB3 1 45 THR HA 0.000 . 5.410 4.847 4.554 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 20 CYS HB3 1 45 THR HB 0.000 . 5.140 2.587 2.393 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 20 CYS HB3 1 45 THR MG 0.000 . 3.580 2.181 2.073 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 20 CYS SG 1 42 CYS CB 0.000 . 3.100 3.006 2.995 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 20 CYS SG 1 42 CYS SG 0.000 . 2.100 2.017 2.015 2.021 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 21 ARG H 1 21 ARG HB2 0.000 . 3.030 2.276 2.226 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 21 ARG H 1 21 ARG QB 0.000 . 2.650 2.179 2.151 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 21 ARG H 1 21 ARG HB3 0.000 . 3.030 2.786 2.745 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 21 ARG H 1 21 ARG QD 0.000 . 4.520 4.332 4.224 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 21 ARG H 1 21 ARG HG2 0.000 . 4.750 4.249 4.183 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 21 ARG H 1 21 ARG QG 0.000 . 4.070 3.908 3.876 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 21 ARG H 1 21 ARG HG3 0.000 . 4.750 4.565 4.520 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 21 ARG H 1 22 ARG H 0.000 . 2.960 2.741 2.701 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 21 ARG H 1 22 ARG HA 0.000 . 5.360 5.381 5.356 5.411 0.051 12 0 "[ . 1 . 2 . 3]" 1
421 1 21 ARG H 1 23 SER H 0.000 . 4.220 4.176 4.061 4.238 0.018 24 0 "[ . 1 . 2 . 3]" 1
422 1 21 ARG H 1 45 THR MG 0.000 . 4.540 3.970 3.820 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 21 ARG HA 1 21 ARG QD 0.000 . 3.990 2.720 2.204 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 21 ARG HA 1 21 ARG HG2 0.000 . 4.220 2.324 2.221 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 21 ARG HA 1 21 ARG QG 0.000 . 3.450 2.296 2.199 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 21 ARG HA 1 21 ARG HG3 0.000 . 4.220 3.584 3.514 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 21 ARG HA 1 23 SER H 0.000 . 4.770 4.726 4.666 4.785 0.015 2 0 "[ . 1 . 2 . 3]" 1
428 1 21 ARG HA 1 24 LEU H 0.000 . 3.880 3.588 3.484 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 21 ARG HA 1 24 LEU HA 0.000 . 5.500 5.425 5.263 5.524 0.024 18 0 "[ . 1 . 2 . 3]" 1
430 1 21 ARG HA 1 24 LEU HB2 0.000 . 4.140 3.468 3.279 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 21 ARG HA 1 24 LEU QB 0.000 . 3.430 2.599 2.419 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 21 ARG HA 1 24 LEU HB3 0.000 . 4.140 2.688 2.477 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 21 ARG HA 1 24 LEU QD 0.000 . 3.830 3.248 3.030 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 21 ARG HA 1 25 ARG H 0.000 . 4.530 4.029 3.797 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 21 ARG HA 1 45 THR MG 0.000 . 3.630 3.362 3.202 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 21 ARG QB 1 21 ARG QD 0.000 . 3.350 2.240 2.157 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 21 ARG QB 1 22 ARG H 0.000 . 3.010 2.393 2.298 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 21 ARG QB 1 22 ARG HA 0.000 . 3.950 3.966 3.939 3.995 0.045 8 0 "[ . 1 . 2 . 3]" 1
439 1 21 ARG QB 1 23 SER H 0.000 . 5.260 4.675 4.562 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 21 ARG QB 1 45 THR MG 0.000 . 4.930 4.468 4.338 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 21 ARG HB2 1 22 ARG H 0.000 . 3.770 3.585 3.516 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 21 ARG HB3 1 22 ARG H 0.000 . 3.770 2.430 2.330 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 21 ARG QD 1 22 ARG H 0.000 . 5.130 3.403 3.295 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 21 ARG QD 1 22 ARG HA 0.000 . 4.590 3.079 2.965 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 21 ARG QD 1 24 LEU QD 0.000 . 4.500 4.071 3.375 4.511 0.011 28 0 "[ . 1 . 2 . 3]" 1
446 1 21 ARG QD 1 25 ARG H 0.000 . 4.130 3.518 3.346 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 21 ARG QD 1 25 ARG HA 0.000 . 5.260 5.131 4.896 5.298 0.038 3 0 "[ . 1 . 2 . 3]" 1
448 1 21 ARG QD 1 25 ARG QB 0.000 . 3.530 3.127 2.863 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 21 ARG QD 1 25 ARG QG 0.000 . 3.590 3.369 3.158 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 21 ARG QD 1 26 ASN H 0.000 . 5.500 5.503 5.414 5.550 0.050 14 0 "[ . 1 . 2 . 3]" 1
451 1 21 ARG QG 1 45 THR MG 0.000 . 4.770 4.580 4.401 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 22 ARG H 1 22 ARG QB 0.000 . 2.510 2.129 2.105 2.147 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 22 ARG H 1 22 ARG HG2 0.000 . 4.520 4.041 3.989 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 22 ARG H 1 22 ARG QG 0.000 . 3.710 3.756 3.729 3.784 0.074 28 0 "[ . 1 . 2 . 3]" 1
455 1 22 ARG H 1 22 ARG HG3 0.000 . 4.520 4.463 4.441 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 22 ARG H 1 23 SER H 0.000 . 2.970 2.643 2.585 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 22 ARG H 1 23 SER QB 0.000 . 4.920 4.667 4.491 4.883 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 22 ARG H 1 24 LEU H 0.000 . 4.570 3.918 3.852 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 22 ARG H 1 26 ASN QD 0.000 . 5.340 5.355 5.300 5.384 0.044 2 0 "[ . 1 . 2 . 3]" 1
460 1 22 ARG H 1 45 THR MG 0.000 . 5.500 5.524 5.464 5.557 0.057 29 0 "[ . 1 . 2 . 3]" 1
461 1 22 ARG HA 1 22 ARG HG2 0.000 . 3.830 3.539 3.519 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 22 ARG HA 1 22 ARG HG3 0.000 . 3.830 2.762 2.693 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 22 ARG HA 1 24 LEU H 0.000 . 5.470 4.325 4.259 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 22 ARG HA 1 25 ARG H 0.000 . 4.160 3.649 3.512 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 22 ARG HA 1 25 ARG QB 0.000 . 4.370 4.034 3.926 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 22 ARG HA 1 26 ASN H 0.000 . 4.560 4.314 4.236 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 22 ARG QB 1 23 SER H 0.000 . 3.280 2.639 2.564 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 22 ARG QB 1 26 ASN HD21 0.000 . 5.390 4.454 4.382 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 22 ARG QB 1 26 ASN HD22 0.000 . 5.390 3.874 3.780 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 22 ARG QD 1 26 ASN QD 0.000 . 5.000 3.062 2.517 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 22 ARG HE 1 26 ASN HD22 0.000 . 5.000 3.213 1.899 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 22 ARG QG 1 23 SER HA 0.000 . 4.720 2.950 2.893 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 22 ARG QG 1 25 ARG H 0.000 . 5.340 4.931 4.828 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 22 ARG QG 1 26 ASN H 0.000 . 5.100 4.292 4.151 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 22 ARG QG 1 26 ASN QD 0.000 . 3.500 1.625 1.570 1.691 0.230 27 0 "[ . 1 . 2 . 3]" 1
476 1 22 ARG HG2 1 23 SER H 0.000 . 3.800 2.739 2.638 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 22 ARG HG2 1 23 SER QB 0.000 . 5.340 3.910 3.378 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 22 ARG HG2 1 26 ASN HD21 0.000 . 4.780 2.623 2.507 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 22 ARG HG2 1 26 ASN HD22 0.000 . 4.780 2.591 2.274 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 22 ARG HG3 1 23 SER H 0.000 . 3.800 3.838 3.816 3.868 0.068 12 0 "[ . 1 . 2 . 3]" 1
481 1 22 ARG HG3 1 23 SER QB 0.000 . 5.340 5.146 4.770 5.380 0.040 11 0 "[ . 1 . 2 . 3]" 1
482 1 22 ARG HG3 1 26 ASN HD21 0.000 . 4.780 2.748 2.553 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 22 ARG HG3 1 26 ASN HD22 0.000 . 4.780 1.675 1.628 1.753 0.172 27 0 "[ . 1 . 2 . 3]" 1
484 1 23 SER H 1 23 SER HB2 0.000 . 3.590 2.904 2.359 3.611 0.021 5 0 "[ . 1 . 2 . 3]" 1
485 1 23 SER H 1 23 SER QB 0.000 . 2.790 2.413 2.328 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 23 SER H 1 23 SER HB3 0.000 . 3.590 3.146 2.414 3.605 0.015 16 0 "[ . 1 . 2 . 3]" 1
487 1 23 SER H 1 24 LEU H 0.000 . 3.150 2.633 2.566 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 23 SER H 1 24 LEU QB 0.000 . 5.340 4.421 4.340 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 23 SER H 1 25 ARG H 0.000 . 4.730 4.447 4.383 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 23 SER H 1 28 ASP QB 0.000 . 5.030 4.685 4.518 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 23 SER H 1 38 MET ME 0.000 . 5.500 5.126 4.870 5.410 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 23 SER H 1 45 THR MG 0.000 . 5.440 5.394 5.279 5.452 0.012 19 0 "[ . 1 . 2 . 3]" 1
493 1 23 SER HA 1 26 ASN HB2 0.000 . 4.500 2.325 2.254 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 23 SER HA 1 26 ASN QB 0.000 . 3.770 2.306 2.237 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 23 SER HA 1 26 ASN HB3 0.000 . 4.500 3.838 3.739 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 23 SER HA 1 28 ASP QB 0.000 . 3.420 2.776 2.574 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 23 SER QB 1 24 LEU H 0.000 . 3.500 2.982 2.618 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 23 SER QB 1 24 LEU QB 0.000 . 5.190 4.319 3.969 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 23 SER QB 1 26 ASN H 0.000 . 5.180 4.753 4.634 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 23 SER QB 1 26 ASN QB 0.000 . 4.230 3.899 3.794 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 23 SER QB 1 26 ASN QD 0.000 . 5.190 4.011 3.557 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 23 SER QB 1 28 ASP QB . . 2.770 2.067 2.004 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 23 SER QB 1 34 LYS QD 0.000 . 5.340 4.147 3.821 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 23 SER QB 1 38 MET ME 0.000 . 3.450 2.537 2.345 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 23 SER HB2 1 24 LEU H 0.000 . 4.230 3.192 2.678 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 23 SER HB2 1 38 MET ME 0.000 . 3.960 2.992 2.467 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 23 SER HB3 1 24 LEU H 0.000 . 4.230 3.780 3.631 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 23 SER HB3 1 38 MET ME 0.000 . 3.960 2.917 2.449 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 24 LEU H 1 24 LEU HB2 0.000 . 2.940 2.583 2.384 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 24 LEU H 1 24 LEU QB 0.000 . 2.560 2.275 2.246 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 24 LEU H 1 24 LEU HB3 0.000 . 2.940 2.530 2.478 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 24 LEU H 1 24 LEU MD1 0.000 . 4.800 4.086 4.023 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 24 LEU H 1 24 LEU QD 0.000 . 4.000 3.716 3.682 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 24 LEU H 1 24 LEU MD2 0.000 . 4.800 4.271 4.192 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 24 LEU H 1 24 LEU HG 0.000 . 4.540 4.427 4.342 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 24 LEU H 1 25 ARG H 0.000 . 3.100 2.789 2.730 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 24 LEU H 1 25 ARG QG 0.000 . 4.350 3.896 3.743 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 24 LEU H 1 26 ASN H 0.000 . 4.140 3.793 3.736 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 24 LEU H 1 28 ASP QB 0.000 . 4.240 3.967 3.839 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 24 LEU H 1 45 THR MG 0.000 . 3.910 3.825 3.639 3.933 0.023 19 0 "[ . 1 . 2 . 3]" 1
521 1 24 LEU HA 1 24 LEU QD 0.000 . 2.930 2.206 2.134 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 24 LEU HA 1 24 LEU HG 0.000 . 3.510 2.899 2.335 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 24 LEU HA 1 26 ASN H 0.000 . 4.480 4.037 3.920 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 24 LEU HA 1 27 GLY H 0.000 . 3.880 3.720 3.624 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 24 LEU HA 1 28 ASP H 0.000 . 3.480 3.324 3.251 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 24 LEU HA 1 29 CYS H 0.000 . 3.280 3.047 2.821 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 24 LEU HA 1 29 CYS QB 0.000 . 5.090 4.195 3.825 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 24 LEU HA 1 45 THR MG 0.000 . 4.310 3.852 3.749 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 24 LEU QB 1 25 ARG H 0.000 . 3.100 2.376 2.296 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 24 LEU QB 1 25 ARG HA 0.000 . 4.870 4.177 4.019 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 24 LEU QB 1 26 ASN H 0.000 . 5.340 4.356 4.284 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 24 LEU QB 1 27 GLY H 0.000 . 5.340 4.978 4.922 5.035 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 24 LEU QB 1 28 ASP H 0.000 . 5.340 5.148 5.101 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 24 LEU QB 1 29 CYS QB 0.000 . 5.240 5.198 4.925 5.263 0.023 29 0 "[ . 1 . 2 . 3]" 1
535 1 24 LEU QB 1 45 THR HB 0.000 . 5.340 4.176 4.013 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 24 LEU QB 1 45 THR MG 0.000 . 3.210 2.090 2.044 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 24 LEU HB2 1 45 THR MG 0.000 . 3.870 2.115 2.064 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 24 LEU HB3 1 45 THR MG 0.000 . 3.870 3.278 3.174 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 24 LEU QD 1 25 ARG H 0.000 . 3.870 3.670 2.968 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 24 LEU QD 1 25 ARG HA 0.000 . 4.010 3.985 2.719 4.054 0.044 11 0 "[ . 1 . 2 . 3]" 1
541 1 24 LEU QD 1 26 ASN H 0.000 . 5.190 4.889 4.267 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 24 LEU QD 1 27 GLY H 0.000 . 4.590 4.372 3.746 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 24 LEU QD 1 27 GLY QA 0.000 . 4.900 4.272 3.982 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 24 LEU QD 1 28 ASP H 0.000 . 4.870 4.464 4.344 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 24 LEU QD 1 29 CYS H 0.000 . 4.170 3.330 3.231 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 24 LEU QD 1 29 CYS QB 0.000 . 3.850 2.863 2.733 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 24 LEU QD 1 30 ASP H 0.000 . 4.920 4.809 4.704 4.967 0.047 18 0 "[ . 1 . 2 . 3]" 1
548 1 24 LEU QD 1 45 THR HB 0.000 . 4.430 3.774 3.680 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 24 LEU QD 1 45 THR MG 0.000 . 2.820 1.961 1.818 2.061 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 24 LEU QD 1 46 CYS HA 0.000 . 4.080 2.734 2.640 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 24 LEU MD1 1 25 ARG H 0.000 . 4.460 4.454 4.374 4.494 0.034 15 0 "[ . 1 . 2 . 3]" 1
552 1 24 LEU MD1 1 46 CYS HA 0.000 . 4.710 2.757 2.661 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 24 LEU MD2 1 25 ARG H 0.000 . 4.460 3.913 3.020 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 24 LEU MD2 1 46 CYS HA 0.000 . 4.710 4.529 4.409 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 24 LEU HG 1 25 ARG H 0.000 . 5.130 3.533 3.413 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 24 LEU HG 1 25 ARG HA 0.000 . 5.440 3.521 3.385 5.375 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 24 LEU HG 1 27 GLY H 0.000 . 5.500 4.616 4.525 5.398 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 24 LEU HG 1 28 ASP H 0.000 . 5.500 5.521 5.476 5.558 0.058 12 0 "[ . 1 . 2 . 3]" 1
559 1 24 LEU HG 1 29 CYS H 0.000 . 5.500 5.204 3.991 5.349 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 24 LEU HG 1 45 THR MG 0.000 . 4.150 4.047 2.908 4.162 0.012 26 0 "[ . 1 . 2 . 3]" 1
561 1 25 ARG H 1 25 ARG QB 0.000 . 2.660 2.533 2.480 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 25 ARG H 1 25 ARG QG 0.000 . 3.090 2.000 1.833 2.085 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 25 ARG H 1 26 ASN HA 0.000 . 5.250 5.209 5.168 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 25 ARG H 1 26 ASN QB 0.000 . 4.530 4.558 4.538 4.582 0.052 13 0 "[ . 1 . 2 . 3]" 1
565 1 25 ARG H 1 27 GLY H 0.000 . 4.690 4.039 3.971 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 25 ARG H 1 28 ASP QB 0.000 . 5.340 5.309 5.177 5.362 0.022 18 0 "[ . 1 . 2 . 3]" 1
567 1 25 ARG H 1 45 THR MG 0.000 . 5.250 5.162 5.085 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 25 ARG HA 1 25 ARG QB 0.000 . 2.620 2.199 2.196 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 25 ARG HA 1 25 ARG HG2 0.000 . 4.040 3.677 3.652 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 25 ARG HA 1 25 ARG QG 0.000 . 3.480 3.301 3.295 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 25 ARG HA 1 25 ARG HG3 0.000 . 4.040 3.736 3.686 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 25 ARG HA 1 26 ASN H 0.000 . 3.500 3.455 3.423 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 25 ARG HA 1 27 GLY H 0.000 . 3.920 3.439 3.357 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 25 ARG QB 1 26 ASN H 0.000 . 3.930 3.616 3.560 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 25 ARG QB 1 27 GLY H 0.000 . 5.320 4.616 4.544 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 25 ARG QG 1 26 ASN H 0.000 . 4.510 2.366 2.274 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 25 ARG QG 1 26 ASN QB 0.000 . 3.810 3.741 3.687 3.819 0.009 11 0 "[ . 1 . 2 . 3]" 1
578 1 25 ARG QG 1 26 ASN QD 0.000 . 4.760 3.562 3.359 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 26 ASN H 1 26 ASN HB2 0.000 . 3.600 2.390 2.366 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 26 ASN H 1 26 ASN QB 0.000 . 2.960 2.358 2.336 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 26 ASN H 1 26 ASN HB3 0.000 . 3.600 3.608 3.597 3.620 0.020 11 0 "[ . 1 . 2 . 3]" 1
582 1 26 ASN H 1 26 ASN HD21 0.000 . 4.900 3.921 3.682 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 26 ASN H 1 26 ASN HD22 0.000 . 4.900 4.334 4.149 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 26 ASN H 1 27 GLY H 0.000 . 3.120 2.523 2.464 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 26 ASN H 1 27 GLY QA 0.000 . 5.120 4.474 4.425 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 26 ASN H 1 28 ASP H 0.000 . 4.760 3.511 3.430 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 26 ASN HA 1 26 ASN HD22 0.000 . 5.260 4.596 4.570 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 26 ASN HA 1 28 ASP H 0.000 . 5.210 4.622 4.515 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 26 ASN QB 1 28 ASP H 0.000 . 4.040 2.982 2.835 3.057 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 26 ASN HB2 1 27 GLY H 0.000 . 4.150 3.457 3.403 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 26 ASN HB3 1 27 GLY H 0.000 . 4.150 4.198 4.175 4.221 0.071 11 0 "[ . 1 . 2 . 3]" 1
592 1 27 GLY H 1 28 ASP H 0.000 . 2.890 2.383 2.346 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 27 GLY H 1 28 ASP QB 0.000 . 4.360 4.167 4.126 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 27 GLY H 1 29 CYS H 0.000 . 4.660 4.248 4.096 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 27 GLY QA 1 28 ASP H 0.000 . 3.100 2.871 2.839 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 27 GLY QA 1 29 CYS H 0.000 . 4.470 3.537 3.462 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 27 GLY QA 1 30 ASP H . . 3.940 3.064 2.910 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 27 GLY QA 1 30 ASP QB 0.000 . 3.720 2.722 2.550 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 28 ASP H 1 28 ASP HA 0.000 . 2.890 2.839 2.828 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 28 ASP H 1 28 ASP HB2 0.000 . 3.230 2.438 2.287 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 28 ASP H 1 28 ASP QB 0.000 . 2.630 2.253 2.200 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 28 ASP H 1 28 ASP HB3 0.000 . 3.230 2.659 2.574 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 28 ASP H 1 29 CYS H 0.000 . 3.180 2.741 2.676 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 28 ASP H 1 30 ASP H 0.000 . 4.460 3.895 3.853 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 28 ASP H 1 30 ASP QB 0.000 . 4.940 4.949 4.911 4.982 0.042 17 0 "[ . 1 . 2 . 3]" 1
606 1 28 ASP H 1 34 LYS QB 0.000 . 5.340 5.329 5.281 5.362 0.022 13 0 "[ . 1 . 2 . 3]" 1
607 1 28 ASP H 1 34 LYS QD 0.000 . 5.500 4.624 4.536 4.708 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 28 ASP H 1 38 MET ME 0.000 . 5.500 5.528 5.495 5.555 0.055 13 0 "[ . 1 . 2 . 3]" 1
609 1 28 ASP HA 1 30 ASP H 0.000 . 4.190 3.800 3.738 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 28 ASP HA 1 31 ASN H 0.000 . 3.460 3.318 3.198 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 28 ASP HA 1 31 ASN QB 0.000 . 3.100 2.617 2.517 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 28 ASP HA 1 31 ASN QD 0.000 . 4.050 3.883 3.792 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 28 ASP HA 1 34 LYS QB . . 3.550 2.983 2.906 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 28 ASP HA 1 34 LYS QD 0.000 . 3.630 2.343 2.264 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 28 ASP HA 1 34 LYS QG 0.000 . 3.870 3.870 3.824 3.911 0.041 4 0 "[ . 1 . 2 . 3]" 1
616 1 28 ASP QB 1 29 CYS H 0.000 . 3.870 2.566 2.504 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 28 ASP QB 1 31 ASN H 0.000 . 5.180 4.806 4.733 4.871 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 28 ASP QB 1 34 LYS QB . . 4.150 3.664 3.577 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 28 ASP QB 1 34 LYS QG 0.000 . 5.180 4.865 4.729 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 28 ASP QB 1 38 MET ME 0.000 . 3.340 3.114 3.044 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 28 ASP QB 1 38 MET QG 0.000 . 4.200 3.165 2.998 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 28 ASP HB2 1 34 LYS QD 0.000 . 4.850 3.197 2.986 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 28 ASP HB3 1 34 LYS QD 0.000 . 4.850 4.128 4.015 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 29 CYS CB 1 46 CYS SG 0.000 . 3.100 3.037 3.027 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 29 CYS H 1 29 CYS QB 0.000 . 2.780 2.597 2.565 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 29 CYS H 1 30 ASP H 0.000 . 3.030 2.543 2.492 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 29 CYS H 1 30 ASP QB 0.000 . 4.860 4.542 4.351 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 29 CYS H 1 31 ASN H 0.000 . 4.340 4.036 3.990 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 29 CYS H 1 34 LYS QB 0.000 . 5.340 5.033 4.987 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 29 CYS H 1 38 MET QB 0.000 . 5.340 5.195 5.100 5.288 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 29 CYS H 1 38 MET ME 0.000 . 5.350 5.186 5.087 5.282 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 29 CYS H 1 38 MET QG 0.000 . 4.690 3.602 3.475 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 29 CYS H 1 46 CYS QB 0.000 . 5.340 4.982 4.926 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 29 CYS HA 1 31 ASN H 0.000 . 4.320 3.781 3.708 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 29 CYS HA 1 35 LEU QD 0.000 . 4.540 2.635 2.472 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 29 CYS HA 1 35 LEU HG 0.000 . 5.500 4.466 4.308 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 29 CYS HA 1 38 MET HB2 0.000 . 4.190 3.688 3.548 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 29 CYS HA 1 38 MET QB 0.000 . 3.620 3.393 3.286 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 29 CYS HA 1 38 MET HB3 0.000 . 4.190 3.966 3.868 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 29 CYS HA 1 38 MET HG2 0.000 . 4.310 3.847 3.757 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 29 CYS HA 1 38 MET QG 0.000 . 3.620 2.288 2.210 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 29 CYS HA 1 38 MET HG3 0.000 . 4.310 2.305 2.226 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 29 CYS HA 1 46 CYS QB 0.000 . 4.710 3.278 3.115 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 29 CYS HA 1 48 PHE QE 0.000 . 4.570 3.587 3.362 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 29 CYS QB 1 30 ASP H 0.000 . 3.360 2.972 2.917 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 29 CYS QB 1 38 MET QB 0.000 . 4.820 4.273 4.125 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 29 CYS QB 1 46 CYS H 0.000 . 5.500 5.099 4.971 5.188 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 29 CYS QB 1 46 CYS HA 0.000 . 3.790 2.944 2.751 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 29 CYS QB 1 46 CYS HB2 0.000 . 4.540 3.868 3.777 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 29 CYS QB 1 46 CYS QB 0.000 . 3.730 2.301 2.190 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 29 CYS QB 1 46 CYS HB3 0.000 . 4.540 2.318 2.204 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 29 CYS QB 1 48 PHE HZ 0.000 . 5.030 3.040 2.790 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 29 CYS SG 1 46 CYS CB 0.000 . 3.100 3.038 3.029 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 29 CYS SG 1 46 CYS SG 0.000 . 2.100 2.020 2.017 2.021 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 30 ASP H 1 30 ASP HB2 0.000 . 3.690 2.432 2.379 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 30 ASP H 1 30 ASP QB 0.000 . 2.980 2.374 2.339 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 30 ASP H 1 30 ASP HB3 0.000 . 3.690 3.573 2.526 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 30 ASP H 1 31 ASN H 0.000 . 2.810 2.384 2.308 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 30 ASP H 1 31 ASN QB 0.000 . 4.580 3.980 3.924 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 30 ASP H 1 34 LYS QB 0.000 . 5.270 5.225 5.174 5.294 0.024 6 0 "[ . 1 . 2 . 3]" 1
661 1 30 ASP H 1 35 LEU HG 0.000 . 5.500 5.485 5.398 5.537 0.037 19 0 "[ . 1 . 2 . 3]" 1
662 1 30 ASP QB 1 31 ASN H 0.000 . 3.910 3.373 3.316 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 31 ASN H 1 31 ASN HB2 0.000 . 3.220 2.694 2.648 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 31 ASN H 1 31 ASN QB 0.000 . 2.720 2.370 2.353 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 31 ASN H 1 31 ASN HB3 0.000 . 3.220 2.631 2.564 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 31 ASN H 1 31 ASN QD 0.000 . 4.700 4.761 4.740 4.785 0.085 4 0 "[ . 1 . 2 . 3]" 1
667 1 31 ASN H 1 32 ASP H 0.000 . 4.580 4.358 4.309 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 31 ASN H 1 33 ASP H 0.000 . 5.450 5.462 5.414 5.492 0.042 11 0 "[ . 1 . 2 . 3]" 1
669 1 31 ASN H 1 34 LYS H 0.000 . 4.870 4.431 4.381 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 31 ASN H 1 34 LYS QB 0.000 . 4.100 3.707 3.655 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 31 ASN H 1 34 LYS QD 0.000 . 5.500 4.729 4.622 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 31 ASN H 1 34 LYS QG 0.000 . 4.660 4.702 4.669 4.733 0.073 21 0 "[ . 1 . 2 . 3]" 1
673 1 31 ASN H 1 35 LEU QD 0.000 . 4.710 3.688 3.601 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 31 ASN H 1 35 LEU HG 0.000 . 5.250 3.784 3.627 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 31 ASN HA 1 31 ASN QD 0.000 . 4.280 3.933 3.908 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 31 ASN HA 1 32 ASP H 0.000 . 2.630 2.189 2.171 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 31 ASN HA 1 32 ASP HA 0.000 . 4.540 4.475 4.461 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 31 ASN HA 1 33 ASP H 0.000 . 3.660 3.687 3.651 3.719 0.059 11 0 "[ . 1 . 2 . 3]" 1
679 1 31 ASN QB 1 31 ASN QD 0.000 . 2.940 2.299 2.288 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 31 ASN QB 1 33 ASP H 0.000 . 4.470 3.778 3.709 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 31 ASN QB 1 34 LYS H 0.000 . 3.720 2.567 2.504 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 31 ASN QB 1 34 LYS QB . . 3.580 2.196 2.136 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 31 ASN QB 1 34 LYS QD 0.000 . 4.160 2.825 2.710 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 31 ASN QB 1 34 LYS QG 0.000 . 3.830 2.213 2.169 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 31 ASN QB 1 35 LEU H 0.000 . 5.340 3.961 3.873 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 31 ASN QB 1 35 LEU HG 0.000 . 5.140 4.382 4.309 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 31 ASN HB2 1 32 ASP H 0.000 . 4.630 4.486 4.444 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 31 ASN HB2 1 34 LYS H 0.000 . 4.250 4.189 4.129 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 31 ASN HB2 1 34 LYS QD 0.000 . 4.990 3.527 3.407 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 31 ASN HB3 1 32 ASP H 0.000 . 4.630 4.256 4.214 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 31 ASN HB3 1 34 LYS H 0.000 . 4.250 2.590 2.525 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 31 ASN HB3 1 34 LYS QD 0.000 . 4.990 2.973 2.844 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 31 ASN QD 1 33 ASP H 0.000 . 4.950 3.800 3.651 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 31 ASN QD 1 34 LYS QB . . 4.630 3.672 3.555 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 31 ASN QD 1 34 LYS QD 0.000 . 4.320 2.752 2.617 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 31 ASN QD 1 34 LYS QG 0.000 . 3.740 2.115 1.891 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 31 ASN HD21 1 33 ASP QB 0.000 . 4.400 3.510 3.208 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 31 ASN HD21 1 34 LYS QD 0.000 . 5.090 2.792 2.649 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 31 ASN HD22 1 33 ASP QB 0.000 . 4.400 2.553 2.348 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 31 ASN HD22 1 34 LYS QD 0.000 . 5.090 4.172 4.064 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 32 ASP H 1 32 ASP QB 0.000 . 2.740 2.408 2.260 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 32 ASP H 1 33 ASP H 0.000 . 3.210 2.696 2.661 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 32 ASP H 1 34 LYS H 0.000 . 4.530 4.111 4.080 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 32 ASP H 1 35 LEU QD 0.000 . 4.790 3.694 3.585 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 32 ASP H 1 35 LEU HG 0.000 . 4.960 3.994 3.896 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 32 ASP HA 1 32 ASP QB 0.000 . 2.510 2.396 2.381 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 32 ASP HA 1 33 ASP H 0.000 . 3.510 3.511 3.494 3.520 0.010 11 0 "[ . 1 . 2 . 3]" 1
708 1 32 ASP HA 1 34 LYS H 0.000 . 4.040 3.925 3.864 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 32 ASP HA 1 35 LEU H 0.000 . 3.740 3.120 2.994 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 32 ASP HA 1 35 LEU HB2 0.000 . 4.580 2.546 2.336 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 32 ASP HA 1 35 LEU QB 0.000 . 3.990 2.514 2.314 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 32 ASP HA 1 35 LEU HB3 0.000 . 4.580 3.896 3.740 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 32 ASP HA 1 35 LEU QD 0.000 . 3.200 2.010 1.970 2.069 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 32 ASP HA 1 35 LEU HG 0.000 . 3.100 2.321 2.228 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 32 ASP QB 1 35 LEU QD 0.000 . 4.040 3.191 3.006 3.315 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 32 ASP HB2 1 35 LEU QD 0.000 . 4.830 3.914 3.093 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 32 ASP HB3 1 35 LEU QD 0.000 . 4.830 3.552 3.283 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 33 ASP H 1 33 ASP HB2 0.000 . 3.410 2.473 2.315 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 33 ASP H 1 33 ASP QB 0.000 . 2.700 2.273 2.251 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 33 ASP H 1 33 ASP HB3 0.000 . 3.410 2.739 2.539 3.559 0.149 10 0 "[ . 1 . 2 . 3]" 1
721 1 33 ASP H 1 34 LYS H 0.000 . 2.770 2.608 2.581 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 33 ASP H 1 34 LYS QB 0.000 . 4.890 4.892 4.861 4.922 0.032 12 0 "[ . 1 . 2 . 3]" 1
723 1 33 ASP H 1 34 LYS HG2 0.000 . 5.120 5.166 5.149 5.200 0.080 11 0 "[ . 1 . 2 . 3]" 1
724 1 33 ASP H 1 34 LYS QG 0.000 . 4.400 3.928 3.882 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 33 ASP H 1 34 LYS HG3 0.000 . 5.120 4.072 4.011 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 33 ASP H 1 35 LEU H 0.000 . 3.930 3.866 3.812 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 33 ASP H 1 35 LEU QB 0.000 . 4.970 4.878 4.762 4.976 0.006 13 0 "[ . 1 . 2 . 3]" 1
728 1 33 ASP H 1 35 LEU QD 0.000 . 4.770 4.736 4.704 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 33 ASP HA 1 33 ASP QB 0.000 . 2.610 2.399 2.366 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 33 ASP HA 1 34 LYS QG 0.000 . 5.340 4.496 4.453 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 33 ASP HA 1 35 LEU H 0.000 . 4.340 4.123 4.055 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 33 ASP QB 1 34 LYS H 0.000 . 3.420 2.919 2.826 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 33 ASP QB 1 34 LYS QG . . 3.950 2.708 2.620 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 33 ASP QB 1 35 LEU H 0.000 . 5.060 4.605 4.551 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 34 LYS H 1 34 LYS QB . . 2.990 2.637 2.618 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 34 LYS H 1 34 LYS QD 0.000 . 4.590 4.207 4.158 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 34 LYS H 1 34 LYS HG2 0.000 . 3.980 3.337 3.260 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 34 LYS H 1 34 LYS QG 0.000 . 3.390 2.402 2.335 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 34 LYS H 1 34 LYS HG3 0.000 . 3.980 2.463 2.389 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 34 LYS H 1 35 LEU H 0.000 . 2.800 2.136 2.083 2.175 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 34 LYS H 1 35 LEU HA 0.000 . 4.530 4.549 4.514 4.571 0.041 29 0 "[ . 1 . 2 . 3]" 1
742 1 34 LYS H 1 35 LEU QB 0.000 . 4.030 4.092 4.061 4.139 0.109 11 0 "[ . 1 . 2 . 3]" 1
743 1 34 LYS H 1 35 LEU QD 0.000 . 4.670 4.441 4.375 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 34 LYS H 1 35 LEU HG 0.000 . 4.930 3.974 3.868 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 34 LYS H 1 37 GLU H 0.000 . 5.320 5.143 5.074 5.228 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 34 LYS H 1 37 GLU QG 0.000 . 5.340 5.023 4.831 5.126 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 34 LYS HA 1 34 LYS QD 0.000 . 4.300 3.850 3.796 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 34 LYS HA 1 34 LYS HG2 0.000 . 3.980 2.526 2.498 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 34 LYS HA 1 34 LYS QG 0.000 . 3.480 2.457 2.437 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 34 LYS HA 1 34 LYS HG3 0.000 . 3.980 3.362 3.327 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 34 LYS HA 1 36 LEU H 0.000 . 4.220 3.970 3.850 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 34 LYS HA 1 37 GLU H 0.000 . 3.730 2.941 2.863 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 34 LYS HA 1 37 GLU HB2 0.000 . 5.100 2.710 2.472 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 34 LYS HA 1 37 GLU QB 0.000 . 4.370 2.677 2.447 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 34 LYS HA 1 37 GLU HB3 0.000 . 5.100 4.149 3.930 4.285 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 34 LYS HA 1 38 MET H 0.000 . 4.670 4.216 4.115 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 34 LYS QB 1 35 LEU H . . 3.940 3.357 3.287 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 34 LYS QB 1 35 LEU HG 0.000 . 5.340 4.594 4.510 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 34 LYS QB 1 37 GLU QG . . 3.720 3.685 3.424 3.758 0.038 11 0 "[ . 1 . 2 . 3]" 1
760 1 34 LYS QB 1 38 MET QG 0.000 . 5.190 2.982 2.854 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 34 LYS QD 1 38 MET ME 0.000 . 4.060 3.878 3.522 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 34 LYS QG 1 35 LEU H 0.000 . 4.510 4.081 4.043 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 35 LEU H 1 35 LEU HB2 0.000 . 3.520 2.251 2.209 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 35 LEU H 1 35 LEU QB 0.000 . 2.690 2.227 2.188 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 35 LEU H 1 35 LEU HB3 0.000 . 3.520 3.555 3.530 3.573 0.053 11 0 "[ . 1 . 2 . 3]" 1
766 1 35 LEU H 1 35 LEU QD 0.000 . 3.660 3.350 3.318 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 35 LEU H 1 35 LEU HG 0.000 . 3.700 2.718 2.650 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 35 LEU H 1 36 LEU H 0.000 . 3.260 2.824 2.752 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 35 LEU H 1 37 GLU H 0.000 . 4.550 4.082 4.013 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 35 LEU H 1 37 GLU QG 0.000 . 5.340 4.825 4.700 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 35 LEU H 1 38 MET H 0.000 . 5.050 4.742 4.651 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 35 LEU HA 1 35 LEU QD 0.000 . 3.060 2.018 1.992 2.050 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 35 LEU HA 1 35 LEU HG 0.000 . 3.910 2.693 2.624 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 35 LEU HA 1 38 MET H 0.000 . 4.050 3.481 3.406 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 35 LEU HA 1 38 MET QB 0.000 . 3.820 2.853 2.671 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 35 LEU HA 1 38 MET QG 0.000 . 4.320 3.320 3.143 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 35 LEU HA 1 39 GLY H 0.000 . 4.990 4.088 3.921 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 35 LEU HA 1 48 PHE QE 0.000 . 4.080 3.177 2.907 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 35 LEU HA 1 48 PHE HZ 0.000 . 4.330 3.837 3.712 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 35 LEU QB 1 36 LEU H 0.000 . 3.000 2.582 2.523 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 35 LEU QB 1 48 PHE HZ 0.000 . 4.450 4.422 4.342 4.472 0.022 21 0 "[ . 1 . 2 . 3]" 1
782 1 35 LEU QD 1 36 LEU H 0.000 . 4.360 4.050 4.001 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 35 LEU QD 1 38 MET H 0.000 . 5.400 4.614 4.547 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 35 LEU QD 1 39 GLY H 0.000 . 5.490 4.433 4.313 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 35 LEU QD 1 48 PHE QD 0.000 . 4.700 3.989 3.834 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 35 LEU QD 1 48 PHE QE 0.000 . 3.930 2.475 2.297 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 35 LEU QD 1 48 PHE HZ 0.000 . 3.640 1.959 1.914 2.007 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 36 LEU H 1 36 LEU HB2 0.000 . 3.230 2.548 2.508 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 36 LEU H 1 36 LEU QB 0.000 . 2.630 2.287 2.276 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 36 LEU H 1 36 LEU HB3 0.000 . 3.230 2.587 2.553 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 36 LEU H 1 36 LEU QD 0.000 . 4.220 3.744 3.721 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 36 LEU H 1 37 GLU H 0.000 . 2.930 2.608 2.577 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 36 LEU H 1 37 GLU QB 0.000 . 4.670 4.657 4.597 4.687 0.017 7 0 "[ . 1 . 2 . 3]" 1
794 1 36 LEU H 1 37 GLU QG 0.000 . 5.340 4.017 3.944 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 36 LEU H 1 38 MET H 0.000 . 4.610 4.142 4.072 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 36 LEU H 1 38 MET QB 0.000 . 5.340 5.108 4.961 5.239 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 36 LEU HA 1 36 LEU MD1 0.000 . 3.690 3.338 3.289 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 36 LEU HA 1 36 LEU QD 0.000 . 3.230 3.008 2.995 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 36 LEU HA 1 36 LEU MD2 0.000 . 3.690 3.421 3.368 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 36 LEU HA 1 36 LEU HG 0.000 . 4.230 2.283 2.255 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 36 LEU HA 1 39 GLY H 0.000 . 4.260 3.377 3.304 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 36 LEU QB 1 37 GLU H 0.000 . 3.110 2.582 2.528 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 36 LEU QB 1 38 MET H 0.000 . 5.340 4.748 4.702 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 36 LEU QD 1 37 GLU H 0.000 . 4.060 3.110 2.949 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 36 LEU QD 1 37 GLU HA 0.000 . 3.630 2.742 2.649 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 36 LEU QD 1 38 MET H 0.000 . 5.440 4.712 4.640 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 36 LEU QD 1 39 GLY H 0.000 . 5.440 4.815 4.736 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 36 LEU QD 1 40 TYR H 0.000 . 4.880 4.104 3.968 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 36 LEU QD 1 40 TYR QB . . 4.730 2.910 2.762 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 36 LEU QD 1 40 TYR QE 0.000 . 5.440 5.387 5.250 5.467 0.027 18 0 "[ . 1 . 2 . 3]" 1
811 1 36 LEU QD 1 41 TYR QD 0.000 . 5.440 4.723 4.503 5.090 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 36 LEU QD 1 41 TYR QE 0.000 . 5.440 4.603 4.313 5.047 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 36 LEU HG 1 37 GLU H 0.000 . 5.060 4.403 4.316 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 36 LEU HG 1 40 TYR QD 0.000 . 5.490 5.499 5.447 5.544 0.054 18 0 "[ . 1 . 2 . 3]" 1
815 1 37 GLU H 1 37 GLU QB 0.000 . 2.610 2.495 2.458 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 37 GLU H 1 37 GLU QG 0.000 . 3.380 2.036 1.980 2.098 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 37 GLU H 1 38 MET H 0.000 . 3.160 2.697 2.661 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 37 GLU H 1 38 MET ME 0.000 . 4.780 4.629 4.454 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 37 GLU H 1 39 GLY H 0.000 . 4.820 4.272 4.197 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 37 GLU H 1 41 TYR QD 0.000 . 5.500 4.973 4.791 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 37 GLU HA 1 37 GLU HG2 0.000 . 3.870 2.594 2.426 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 37 GLU HA 1 37 GLU HG3 0.000 . 3.870 3.264 3.080 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 37 GLU HA 1 40 TYR H 0.000 . 4.290 3.605 3.462 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 37 GLU HA 1 40 TYR HB2 0.000 . 4.310 4.065 3.721 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 37 GLU HA 1 40 TYR HB3 0.000 . 4.310 2.746 2.510 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 37 GLU HA 1 40 TYR QD 0.000 . 4.460 4.069 3.916 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 37 GLU HA 1 41 TYR H 0.000 . 4.560 3.478 3.346 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 37 GLU HA 1 41 TYR QD 0.000 . 3.640 2.523 2.299 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 37 GLU QB 1 38 MET H 0.000 . 3.050 2.531 2.478 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 37 GLU QB 1 38 MET ME 0.000 . 2.970 2.568 2.399 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 37 GLU HB2 1 41 TYR QD 0.000 . 4.730 3.821 3.684 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 37 GLU HB3 1 41 TYR QD 0.000 . 4.730 2.343 2.234 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 37 GLU QG 1 41 TYR QD 0.000 . 5.340 3.754 3.443 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 37 GLU QG 1 41 TYR QE 0.000 . 5.340 3.513 3.103 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 38 MET H 1 38 MET HB2 0.000 . 3.630 2.380 2.336 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 38 MET H 1 38 MET QB 0.000 . 2.780 2.348 2.307 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 38 MET H 1 38 MET HB3 0.000 . 3.630 3.589 3.572 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 38 MET H 1 38 MET ME 0.000 . 3.390 2.926 2.834 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 38 MET H 1 38 MET HG2 0.000 . 4.240 2.299 2.221 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 38 MET H 1 38 MET HG3 0.000 . 4.240 3.627 3.564 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 38 MET H 1 39 GLY H 0.000 . 3.260 2.655 2.594 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 38 MET H 1 39 GLY QA . . 4.660 4.546 4.496 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 38 MET H 1 40 TYR H 0.000 . 4.390 3.811 3.710 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 38 MET H 1 41 TYR H 0.000 . 5.420 4.442 4.385 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 38 MET H 1 42 CYS H 0.000 . 5.500 4.670 4.568 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 38 MET H 1 48 PHE QE 0.000 . 4.960 4.298 4.168 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 38 MET HA 1 38 MET ME 0.000 . 2.690 2.124 2.048 2.196 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 38 MET HA 1 41 TYR H 0.000 . 4.840 3.359 3.239 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 38 MET HA 1 41 TYR QB 0.000 . 4.610 2.981 2.833 3.076 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 38 MET HA 1 41 TYR QD 0.000 . 4.770 4.283 4.154 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 38 MET HA 1 42 CYS H 0.000 . 3.380 2.087 1.995 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 38 MET HA 1 42 CYS QB 0.000 . 3.930 3.130 2.909 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 38 MET QB 1 38 MET ME 0.000 . 3.650 3.300 3.260 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 38 MET QB 1 39 GLY H 0.000 . 3.370 2.428 2.340 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 38 MET QB 1 40 TYR H 0.000 . 4.830 4.314 4.202 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 38 MET QB 1 41 TYR H 0.000 . 5.340 4.948 4.837 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 38 MET QB 1 42 CYS H 0.000 . 4.660 3.720 3.576 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 38 MET QB 1 42 CYS QB 0.000 . 5.180 3.384 3.217 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 38 MET QB 1 43 PRO HA 0.000 . 5.150 3.821 3.683 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 38 MET QB 1 48 PHE QD 0.000 . 4.320 3.179 3.080 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 38 MET QB 1 48 PHE HZ 0.000 . 4.050 3.889 3.722 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 38 MET HB2 1 38 MET ME 0.000 . 4.330 3.768 3.717 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 38 MET HB2 1 39 GLY H 0.000 . 4.070 2.482 2.386 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 38 MET HB2 1 48 PHE QE 0.000 . 3.960 2.125 2.033 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 38 MET HB3 1 38 MET ME 0.000 . 4.330 3.649 3.588 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 38 MET HB3 1 39 GLY H 0.000 . 4.070 3.444 3.367 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 38 MET HB3 1 48 PHE QE 0.000 . 3.960 2.715 2.211 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 38 MET ME 1 38 MET HG2 0.000 . 3.880 2.111 2.058 2.136 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 38 MET ME 1 38 MET QG 0.000 . 3.010 2.084 2.033 2.106 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 38 MET ME 1 38 MET HG3 0.000 . 3.880 3.207 3.140 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 38 MET ME 1 39 GLY H 0.000 . 4.880 4.700 4.639 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 38 MET ME 1 40 TYR H 0.000 . 4.890 4.920 4.886 4.952 0.062 7 0 "[ . 1 . 2 . 3]" 1
873 1 38 MET ME 1 40 TYR QD 0.000 . 5.500 5.510 5.447 5.556 0.056 29 0 "[ . 1 . 2 . 3]" 1
874 1 38 MET ME 1 41 TYR H 0.000 . 4.260 3.994 3.917 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 38 MET ME 1 41 TYR QD 0.000 . 3.810 3.502 3.347 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 38 MET ME 1 42 CYS H 0.000 . 4.030 3.321 3.180 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 38 MET ME 1 42 CYS QB 0.000 . 4.040 3.322 2.997 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 38 MET QG 1 39 GLY H 0.000 . 4.940 4.035 3.963 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 39 GLY H 1 40 TYR H 0.000 . 3.310 2.627 2.569 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 39 GLY H 1 40 TYR QB 0.000 . 5.340 4.440 4.369 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 39 GLY H 1 43 PRO HA 0.000 . 4.360 4.374 4.272 4.408 0.048 26 0 "[ . 1 . 2 . 3]" 1
882 1 39 GLY H 1 46 CYS QB 0.000 . 5.340 4.737 4.666 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 39 GLY H 1 48 PHE QD 0.000 . 4.680 3.289 3.021 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 39 GLY H 1 48 PHE QE 0.000 . 4.110 3.335 3.220 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 39 GLY QA 1 40 TYR H 0.000 . 3.080 2.812 2.799 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 39 GLY QA 1 41 TYR H . . 4.750 4.665 4.515 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 39 GLY QA 1 42 CYS H 0.000 . 5.330 4.497 4.343 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 39 GLY QA 1 43 PRO HA . . 4.050 2.215 2.161 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 39 GLY QA 1 43 PRO QB 0.000 . 3.880 2.356 2.207 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 39 GLY QA 1 43 PRO QD 0.000 . 5.180 3.738 3.623 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 39 GLY QA 1 48 PHE QB 0.000 . 4.260 2.945 2.791 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 39 GLY QA 1 48 PHE QD . . 3.410 2.253 2.155 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 39 GLY QA 1 48 PHE QE . . 3.850 3.881 3.828 3.914 0.064 22 0 "[ . 1 . 2 . 3]" 1
894 1 39 GLY HA2 1 41 TYR H 0.000 . 5.430 5.200 4.997 5.306 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 39 GLY HA2 1 43 PRO HA 0.000 . 4.640 2.226 2.171 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 39 GLY HA2 1 48 PHE QD 0.000 . 4.030 2.306 2.213 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 39 GLY HA2 1 48 PHE QE 0.000 . 4.440 4.219 4.124 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 40 TYR H 1 40 TYR HB2 0.000 . 3.050 2.876 2.827 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 40 TYR H 1 40 TYR QB 0.000 . 2.660 2.287 2.269 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 40 TYR H 1 40 TYR HB3 0.000 . 3.050 2.401 2.374 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 40 TYR H 1 40 TYR QD 0.000 . 4.200 4.104 4.075 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 40 TYR H 1 41 TYR H 0.000 . 2.770 2.465 2.395 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 40 TYR H 1 41 TYR QB 0.000 . 4.440 4.408 4.353 4.460 0.020 22 0 "[ . 1 . 2 . 3]" 1
904 1 40 TYR H 1 41 TYR QD 0.000 . 4.680 4.389 4.278 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 40 TYR H 1 42 CYS H 0.000 . 4.230 3.837 3.661 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 40 TYR H 1 43 PRO QB 0.000 . 5.340 4.693 4.534 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 40 TYR H 1 43 PRO QD 0.000 . 4.860 4.185 4.076 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 40 TYR HA 1 40 TYR QD 0.000 . 3.530 2.994 2.904 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 40 TYR HA 1 40 TYR QE 0.000 . 5.120 4.694 4.657 4.742 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 40 TYR HA 1 43 PRO QD 0.000 . 5.020 3.758 3.591 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 40 TYR QB 1 41 TYR H 0.000 . 3.250 2.309 2.223 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 40 TYR QB 1 41 TYR QB 0.000 . 4.320 4.107 4.016 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 40 TYR QB 1 41 TYR QD 0.000 . 4.230 3.243 2.987 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 40 TYR HB2 1 41 TYR H 0.000 . 4.030 3.782 3.718 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 40 TYR HB3 1 41 TYR H 0.000 . 4.030 2.329 2.240 2.437 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 40 TYR QD 1 41 TYR H 0.000 . 4.000 2.613 2.530 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 40 TYR QD 1 41 TYR HB2 0.000 . 5.100 3.703 3.654 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 40 TYR QD 1 41 TYR QB 0.000 . 4.420 3.464 3.418 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 40 TYR QD 1 41 TYR HB3 0.000 . 5.100 4.169 4.093 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 40 TYR QD 1 41 TYR QD 0.000 . 3.770 2.827 2.721 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 40 TYR QD 1 41 TYR QE 0.000 . 4.500 3.338 3.234 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 40 TYR QE 1 41 TYR HB2 0.000 . 5.500 5.515 5.451 5.555 0.055 1 0 "[ . 1 . 2 . 3]" 1
923 1 40 TYR QE 1 41 TYR HB3 0.000 . 5.500 5.311 5.201 5.448 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 40 TYR QE 1 41 TYR QD 0.000 . 4.270 3.391 3.214 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 40 TYR QE 1 41 TYR QE 0.000 . 4.410 2.801 2.518 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 41 TYR H 1 41 TYR HB2 0.000 . 3.580 2.351 2.288 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 41 TYR H 1 41 TYR QB 0.000 . 3.090 2.322 2.263 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 41 TYR H 1 41 TYR HB3 0.000 . 3.580 3.602 3.576 3.615 0.035 22 0 "[ . 1 . 2 . 3]" 1
929 1 41 TYR H 1 41 TYR QD 0.000 . 3.340 2.680 2.540 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 41 TYR H 1 42 CYS H 0.000 . 3.100 2.642 2.606 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 41 TYR H 1 42 CYS HA 0.000 . 5.120 5.173 5.128 5.216 0.096 12 0 "[ . 1 . 2 . 3]" 1
932 1 41 TYR H 1 42 CYS QB 0.000 . 5.340 5.217 5.133 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 41 TYR H 1 43 PRO QD 0.000 . 4.290 3.885 3.772 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 41 TYR HA 1 41 TYR QD 0.000 . 3.150 2.568 2.442 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 41 TYR HA 1 42 CYS HA 0.000 . 5.420 4.517 4.506 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 41 TYR QB 1 42 CYS H 0.000 . 3.290 2.488 2.341 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 41 TYR QB 1 42 CYS HA 0.000 . 5.340 4.221 4.160 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 41 TYR QB 1 42 CYS QB 0.000 . 4.740 3.929 3.833 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 41 TYR QB 1 43 PRO QD 0.000 . 5.140 4.390 4.295 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 41 TYR HB2 1 42 CYS H 0.000 . 3.860 2.560 2.411 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 41 TYR HB3 1 42 CYS H 0.000 . 3.860 3.389 3.172 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 41 TYR QD 1 42 CYS H 0.000 . 4.520 4.270 4.205 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 42 CYS H 1 42 CYS QB 0.000 . 3.280 2.853 2.757 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 42 CYS H 1 43 PRO HA 0.000 . 4.950 4.479 4.385 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 42 CYS H 1 43 PRO HD2 0.000 . 4.250 3.876 3.739 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 42 CYS H 1 43 PRO QD 0.000 . 3.400 2.991 2.857 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 42 CYS H 1 43 PRO HD3 0.000 . 4.250 3.112 2.962 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 42 CYS H 1 46 CYS QB 0.000 . 5.340 5.385 5.351 5.409 0.069 9 0 "[ . 1 . 2 . 3]" 1
949 1 42 CYS HA 1 43 PRO QB 0.000 . 5.230 4.861 4.821 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 42 CYS HA 1 43 PRO QD 0.000 . 3.330 2.072 2.031 2.107 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 42 CYS HA 1 43 PRO HG2 0.000 . 5.330 4.219 4.169 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 42 CYS HA 1 43 PRO HG3 0.000 . 5.330 4.723 4.674 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 42 CYS HA 1 44 VAL H 0.000 . 4.060 3.437 3.381 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 42 CYS HA 1 45 THR H 0.000 . 4.390 3.639 3.587 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 42 CYS HA 1 45 THR MG 0.000 . 5.500 5.298 5.169 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 42 CYS HA 1 46 CYS H 0.000 . 5.450 4.929 4.857 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 42 CYS QB 1 44 VAL H 0.000 . 4.330 4.123 4.008 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 42 CYS QB 1 45 THR H 0.000 . 4.010 2.942 2.787 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 42 CYS QB 1 45 THR HA 0.000 . 4.590 4.379 4.204 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 42 CYS QB 1 45 THR HB 0.000 . 4.150 1.993 1.905 2.072 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 42 CYS QB 1 45 THR MG 0.000 . 4.110 3.165 3.006 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 42 CYS QB 1 46 CYS H 0.000 . 3.850 3.391 3.320 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 42 CYS HB2 1 45 THR H 0.000 . 4.590 4.018 3.757 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 42 CYS HB2 1 46 CYS H 0.000 . 4.460 3.699 3.566 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 42 CYS HB3 1 45 THR H 0.000 . 4.590 3.026 2.859 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 42 CYS HB3 1 46 CYS H 0.000 . 4.460 3.950 3.788 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 43 PRO HA 1 45 THR H 0.000 . 5.000 4.747 4.666 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 43 PRO HA 1 46 CYS H 0.000 . 4.060 3.900 3.816 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 43 PRO HA 1 46 CYS QB 0.000 . 3.710 3.424 3.342 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 43 PRO HA 1 48 PHE H 0.000 . 4.730 3.672 3.512 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 43 PRO HA 1 48 PHE QB 0.000 . 3.430 2.630 2.436 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 43 PRO HA 1 48 PHE QD 0.000 . 3.670 2.603 2.155 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 43 PRO HA 1 48 PHE QE 0.000 . 5.070 4.509 4.137 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 43 PRO HA 1 49 CYS H 0.000 . 4.410 4.400 4.264 4.477 0.067 10 0 "[ . 1 . 2 . 3]" 1
975 1 43 PRO QB 1 44 VAL QG 0.000 . 4.130 3.255 3.145 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 43 PRO QB 1 48 PHE H . . 5.000 4.100 3.959 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 43 PRO QB 1 48 PHE QB 0.000 . 3.640 2.962 2.804 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 43 PRO QB 1 48 PHE QD 0.000 . 4.140 3.819 3.569 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 43 PRO QB 1 49 CYS H . . 4.870 3.612 3.482 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 43 PRO QB 1 49 CYS QB 0.000 . 4.680 2.100 2.002 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 43 PRO HB2 1 48 PHE QD 0.000 . 4.870 4.682 4.298 4.889 0.019 11 0 "[ . 1 . 2 . 3]" 1
982 1 43 PRO HB3 1 48 PHE QD 0.000 . 4.870 4.049 3.813 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 43 PRO QD 1 44 VAL H 0.000 . 3.370 2.694 2.586 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 43 PRO QD 1 44 VAL QG 0.000 . 3.820 3.691 3.468 3.821 0.001 2 0 "[ . 1 . 2 . 3]" 1
985 1 43 PRO HD2 1 44 VAL H 0.000 . 3.980 2.746 2.630 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 43 PRO HD3 1 44 VAL H 0.000 . 3.980 3.893 3.811 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 43 PRO QG 1 44 VAL H 0.000 . 3.160 2.358 2.261 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 43 PRO QG 1 44 VAL HB 0.000 . 4.270 4.135 4.003 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 43 PRO QG 1 44 VAL QG 0.000 . 3.530 2.518 2.386 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 43 PRO QG 1 45 THR H 0.000 . 4.860 4.679 4.568 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 43 PRO HG2 1 44 VAL H 0.000 . 3.970 2.378 2.278 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 43 PRO HG3 1 44 VAL H 0.000 . 3.970 3.896 3.829 3.984 0.014 20 0 "[ . 1 . 2 . 3]" 1
993 1 44 VAL H 1 44 VAL HB 0.000 . 2.880 2.455 2.387 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 44 VAL H 1 44 VAL MG1 0.000 . 3.990 3.766 3.746 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 44 VAL H 1 44 VAL QG 0.000 . 2.800 2.285 2.178 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 44 VAL H 1 44 VAL MG2 0.000 . 3.990 2.305 2.191 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 44 VAL H 1 45 THR H 0.000 . 2.910 2.505 2.465 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 44 VAL H 1 45 THR HB 0.000 . 5.000 4.759 4.694 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 44 VAL H 1 46 CYS H 0.000 . 4.070 4.066 4.023 4.096 0.026 11 0 "[ . 1 . 2 . 3]" 1
1000 1 44 VAL H 1 48 PHE QB 0.000 . 5.340 5.146 4.984 5.350 0.010 17 0 "[ . 1 . 2 . 3]" 1
1001 1 44 VAL HA 1 44 VAL MG1 0.000 . 3.140 2.331 2.238 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 44 VAL HA 1 44 VAL MG2 0.000 . 3.140 2.350 2.210 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 44 VAL HA 1 49 CYS H 0.000 . 3.870 2.824 2.702 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 44 VAL HA 1 49 CYS HB2 0.000 . 5.000 4.174 2.804 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 44 VAL HA 1 49 CYS QB 0.000 . 4.310 3.272 2.739 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 44 VAL HA 1 49 CYS HB3 0.000 . 5.000 3.648 3.442 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 44 VAL HA 1 51 PRO HA 0.000 . 5.350 5.195 4.911 5.379 0.029 21 0 "[ . 1 . 2 . 3]" 1
1008 1 44 VAL HB 1 45 THR H 0.000 . 2.930 2.525 2.482 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 44 VAL HB 1 45 THR HB 0.000 . 5.500 5.069 4.992 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 44 VAL HB 1 46 CYS H 0.000 . 5.050 5.034 4.996 5.063 0.013 20 0 "[ . 1 . 2 . 3]" 1
1011 1 44 VAL QG 1 45 THR H 0.000 . 3.360 3.174 3.101 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 44 VAL QG 1 46 CYS H 0.000 . 4.960 4.574 4.535 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 44 VAL QG 1 49 CYS H 0.000 . 4.520 3.709 3.551 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 44 VAL QG 1 49 CYS QB 0.000 . 5.180 2.463 2.048 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 44 VAL QG 1 50 GLU H 0.000 . 4.650 3.806 3.584 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 44 VAL QG 1 50 GLU HA 0.000 . 4.370 3.194 2.720 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 44 VAL QG 1 50 GLU QB 0.000 . 4.980 4.180 3.833 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 44 VAL QG 1 51 PRO HA 0.000 . 3.530 2.203 2.000 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 44 VAL QG 1 51 PRO QD . . 3.240 2.317 2.068 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 44 VAL QG 1 51 PRO QG . . 3.780 2.690 1.946 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 44 VAL MG1 1 45 THR H 0.000 . 4.560 3.393 3.260 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 44 VAL MG1 1 50 GLU H 0.000 . 5.500 5.124 4.882 5.393 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 44 VAL MG1 1 51 PRO HA 0.000 . 4.750 2.732 2.424 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 44 VAL MG1 1 51 PRO QB 0.000 . 4.430 2.473 1.984 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 44 VAL MG1 1 51 PRO QD 0.000 . 4.580 2.370 2.127 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 44 VAL MG2 1 45 THR H 0.000 . 4.560 3.825 3.738 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 44 VAL MG2 1 50 GLU H 0.000 . 5.500 3.927 3.684 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 44 VAL MG2 1 51 PRO HA 0.000 . 4.750 2.361 2.082 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 44 VAL MG2 1 51 PRO QB 0.000 . 4.430 3.433 3.154 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 44 VAL MG2 1 51 PRO QD 0.000 . 4.580 3.303 2.723 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 45 THR H 1 45 THR HB 0.000 . 3.360 2.632 2.586 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 45 THR H 1 45 THR MG 0.000 . 3.970 3.765 3.749 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 45 THR H 1 46 CYS H 0.000 . 3.430 2.795 2.738 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 45 THR HA 1 45 THR MG 0.000 . 3.010 2.276 2.217 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 45 THR HA 1 46 CYS H 0.000 . 3.550 3.562 3.554 3.572 0.022 18 0 "[ . 1 . 2 . 3]" 1
1036 1 45 THR HB 1 46 CYS H 0.000 . 3.810 2.631 2.556 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 45 THR MG 1 46 CYS H 0.000 . 3.560 3.593 3.570 3.630 0.070 11 0 "[ . 1 . 2 . 3]" 1
1038 1 45 THR MG 1 46 CYS HA 0.000 . 4.450 3.613 3.535 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 45 THR MG 1 46 CYS QB 0.000 . 5.060 4.610 4.554 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 45 THR MG 1 47 GLY H 0.000 . 5.500 4.754 4.663 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 46 CYS H 1 46 CYS HB2 0.000 . 3.620 2.355 2.327 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 46 CYS H 1 46 CYS QB 0.000 . 2.830 2.326 2.300 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 46 CYS H 1 46 CYS HB3 0.000 . 3.620 3.617 3.603 3.633 0.013 18 0 "[ . 1 . 2 . 3]" 1
1044 1 46 CYS H 1 47 GLY H 0.000 . 4.560 2.494 2.420 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 46 CYS H 1 48 PHE H 0.000 . 4.340 3.882 3.781 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 46 CYS H 1 48 PHE QD 0.000 . 4.810 4.664 4.121 4.859 0.049 5 0 "[ . 1 . 2 . 3]" 1
1047 1 46 CYS HA 1 47 GLY QA 0.000 . 4.850 4.198 4.187 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 46 CYS HA 1 48 PHE QE 0.000 . 5.380 4.722 4.550 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 46 CYS QB 1 47 GLY H 0.000 . 3.810 3.323 3.166 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 46 CYS QB 1 48 PHE H 0.000 . 4.240 3.553 3.468 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 46 CYS QB 1 48 PHE QB 0.000 . 4.330 3.854 3.703 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 46 CYS QB 1 48 PHE QD 0.000 . 3.760 2.873 2.452 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 46 CYS QB 1 48 PHE HZ 0.000 . 4.840 2.665 2.523 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 46 CYS HB2 1 47 GLY H 0.000 . 4.460 3.498 3.306 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 46 CYS HB2 1 48 PHE H 0.000 . 5.070 3.712 3.625 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 46 CYS HB2 1 48 PHE QD 0.000 . 4.430 3.006 2.504 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 46 CYS HB2 1 48 PHE QE 0.000 . 4.290 2.875 2.272 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 46 CYS HB2 1 48 PHE HZ 0.000 . 5.500 3.973 3.836 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 46 CYS HB3 1 47 GLY H 0.000 . 4.460 4.149 4.050 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 46 CYS HB3 1 48 PHE H 0.000 . 5.070 4.534 4.422 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 46 CYS HB3 1 48 PHE QD 0.000 . 4.430 3.695 3.499 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 46 CYS HB3 1 48 PHE QE 0.000 . 4.290 2.705 2.270 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 46 CYS HB3 1 48 PHE HZ 0.000 . 5.500 2.709 2.559 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 47 GLY H 1 48 PHE H 0.000 . 3.720 2.537 2.477 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 47 GLY H 1 48 PHE QB 0.000 . 5.340 4.694 4.612 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 47 GLY H 1 48 PHE QD 0.000 . 5.040 4.661 4.453 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 47 GLY H 1 49 CYS H 0.000 . 5.500 3.832 3.748 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 47 GLY QA 1 48 PHE H 0.000 . 2.970 2.792 2.757 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 47 GLY QA 1 48 PHE HA 0.000 . 5.210 4.048 4.038 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 47 GLY QA 1 48 PHE QD 0.000 . 4.780 4.050 3.745 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 47 GLY QA 1 48 PHE QE 0.000 . 5.340 4.729 4.425 5.270 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 47 GLY QA 1 49 CYS H 0.000 . 4.550 3.332 3.250 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 48 PHE H 1 48 PHE QB 0.000 . 2.950 2.552 2.519 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 48 PHE H 1 48 PHE QD 0.000 . 3.930 3.286 3.202 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 48 PHE H 1 48 PHE QE 0.000 . 5.240 4.769 4.700 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 48 PHE H 1 49 CYS H 0.000 . 2.810 1.958 1.908 1.998 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 48 PHE H 1 49 CYS HA 0.000 . 4.720 4.759 4.727 4.782 0.062 23 0 "[ . 1 . 2 . 3]" 1
1078 1 48 PHE HA 1 48 PHE QD 0.000 . 3.370 2.033 1.903 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 48 PHE HA 1 48 PHE QE 0.000 . 5.500 4.353 4.274 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 48 PHE HA 1 49 CYS HA 0.000 . 4.700 4.500 4.470 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 48 PHE QB 1 49 CYS H 0.000 . 3.400 3.088 2.977 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 48 PHE QB 1 49 CYS QB 0.000 . 4.550 3.436 3.205 3.846 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 48 PHE QD 1 49 CYS H 0.000 . 4.380 4.427 4.400 4.461 0.081 16 0 "[ . 1 . 2 . 3]" 1
1084 1 49 CYS H 1 49 CYS HB2 0.000 . 3.880 2.953 2.470 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 49 CYS H 1 49 CYS QB 0.000 . 3.190 2.696 2.431 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 49 CYS H 1 49 CYS HB3 0.000 . 3.880 3.259 2.988 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 49 CYS H 1 50 GLU H 0.000 . 4.460 4.423 4.391 4.493 0.033 29 0 "[ . 1 . 2 . 3]" 1
1088 1 49 CYS HA 1 50 GLU H 0.000 . 2.600 2.533 2.426 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 49 CYS QB 1 50 GLU H 0.000 . 2.900 2.797 2.351 2.954 0.054 12 0 "[ . 1 . 2 . 3]" 1
1090 1 50 GLU H 1 50 GLU QB 0.000 . 2.890 2.468 2.226 2.907 0.017 7 0 "[ . 1 . 2 . 3]" 1
1091 1 50 GLU H 1 50 GLU QG 0.000 . 3.660 2.960 1.779 3.670 0.021 4 0 "[ . 1 . 2 . 3]" 1
1092 1 50 GLU H 1 51 PRO HA 0.000 . 5.410 5.354 5.128 5.476 0.066 21 0 "[ . 1 . 2 . 3]" 1
1093 1 50 GLU H 1 51 PRO QD 0.000 . 4.750 4.344 4.110 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 50 GLU HA 1 50 GLU QG 0.000 . 3.510 2.572 2.140 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 50 GLU HA 1 51 PRO HD2 0.000 . 3.820 2.404 2.153 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 50 GLU HA 1 51 PRO QD 0.000 . 2.970 2.057 1.973 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 50 GLU HA 1 51 PRO HD3 0.000 . 3.820 2.250 2.076 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 50 GLU HA 1 51 PRO QG 0.000 . 4.750 3.991 3.898 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 50 GLU QB 1 51 PRO QD 0.000 . 3.810 2.456 2.114 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 50 GLU QG 1 51 PRO QD 0.000 . 3.840 3.172 2.157 3.882 0.042 7 0 "[ . 1 . 2 . 3]" 1
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