NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
652649 |
6nzl   |
30571 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6nzl
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 1000
_Distance_constraint_stats_list.Viol_count 417
_Distance_constraint_stats_list.Viol_total 516.830
_Distance_constraint_stats_list.Viol_max 0.315
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0620
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.796 0.163 4 0 "[ . 1 . 2]"
1 4 PHE 3.468 0.315 14 0 "[ . 1 . 2]"
1 5 LYS 4.302 0.315 14 0 "[ . 1 . 2]"
1 6 THR 0.552 0.091 6 0 "[ . 1 . 2]"
1 7 ALA 1.657 0.170 17 0 "[ . 1 . 2]"
1 8 LEU 0.687 0.192 12 0 "[ . 1 . 2]"
1 9 CYS 0.116 0.043 18 0 "[ . 1 . 2]"
1 10 ASP 1.252 0.191 3 0 "[ . 1 . 2]"
1 11 ALA 1.665 0.161 3 0 "[ . 1 . 2]"
1 12 TYR 1.715 0.250 18 0 "[ . 1 . 2]"
1 13 LYS 1.269 0.191 3 0 "[ . 1 . 2]"
1 14 ARG 0.735 0.161 3 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLN 0.774 0.250 18 0 "[ . 1 . 2]"
1 17 ALA 0.034 0.034 19 0 "[ . 1 . 2]"
1 18 CYS 0.056 0.039 6 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 TYR 0.058 0.028 2 0 "[ . 1 . 2]"
1 21 GLY 0.039 0.039 6 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLN 0.016 0.016 14 0 "[ . 1 . 2]"
1 24 CYS 0.993 0.254 20 0 "[ . 1 . 2]"
1 25 ARG 0.367 0.066 20 0 "[ . 1 . 2]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.987 0.124 15 0 "[ . 1 . 2]"
1 28 HIS 0.244 0.180 10 0 "[ . 1 . 2]"
1 29 GLY 0.222 0.071 10 0 "[ . 1 . 2]"
1 30 VAL 1.746 0.245 13 0 "[ . 1 . 2]"
1 31 HIS 1.107 0.245 13 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 4.078 0.308 16 0 "[ . 1 . 2]"
1 34 ARG 0.471 0.308 16 0 "[ . 1 . 2]"
1 35 LEU 1.162 0.228 15 0 "[ . 1 . 2]"
1 36 PRO 1.228 0.233 17 0 "[ . 1 . 2]"
1 37 MET 1.520 0.233 17 0 "[ . 1 . 2]"
1 38 ASN 0.029 0.015 18 0 "[ . 1 . 2]"
1 39 PRO 0.088 0.059 7 0 "[ . 1 . 2]"
1 40 ARG 0.059 0.059 7 0 "[ . 1 . 2]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 HIS 0.163 0.073 5 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.957 0.187 14 0 "[ . 1 . 2]"
1 47 TYR 2.472 0.243 15 0 "[ . 1 . 2]"
1 48 LYS 1.259 0.219 5 0 "[ . 1 . 2]"
1 49 THR 2.654 0.243 15 0 "[ . 1 . 2]"
1 50 VAL 0.335 0.068 5 0 "[ . 1 . 2]"
1 51 LEU 0.580 0.102 20 0 "[ . 1 . 2]"
1 52 CYS 0.020 0.020 18 0 "[ . 1 . 2]"
1 53 ASP 0.119 0.037 19 0 "[ . 1 . 2]"
1 54 LYS 1.200 0.131 8 0 "[ . 1 . 2]"
1 55 PHE 0.348 0.129 18 0 "[ . 1 . 2]"
1 56 SER 0.058 0.037 19 0 "[ . 1 . 2]"
1 57 MET 0.033 0.013 18 0 "[ . 1 . 2]"
1 58 THR 1.123 0.131 8 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.140 0.077 18 0 "[ . 1 . 2]"
1 61 CYS 0.245 0.129 18 0 "[ . 1 . 2]"
1 62 LYS 0.461 0.169 12 0 "[ . 1 . 2]"
1 63 TYR 0.624 0.169 12 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 0.130 0.067 15 0 "[ . 1 . 2]"
1 67 CYS 0.253 0.106 4 0 "[ . 1 . 2]"
1 68 GLN 0.385 0.122 13 0 "[ . 1 . 2]"
1 69 PHE 0.042 0.042 12 0 "[ . 1 . 2]"
1 70 ILE 1.131 0.124 6 0 "[ . 1 . 2]"
1 71 HIS 0.020 0.020 18 0 "[ . 1 . 2]"
1 72 LYS 0.500 0.110 7 0 "[ . 1 . 2]"
1 73 ILE 0.185 0.085 7 0 "[ . 1 . 2]"
1 74 VAL 0.492 0.067 2 0 "[ . 1 . 2]"
1 75 ASP 0.335 0.067 2 0 "[ . 1 . 2]"
1 76 GLY 0.039 0.039 11 0 "[ . 1 . 2]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP QB 1 3 ALA H 3.990 . 4.390 2.737 2.283 3.575 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASP HB2 1 3 ALA H 4.600 . 5.060 3.476 2.335 4.119 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASP HB3 1 3 ALA H 4.600 . 5.060 3.209 2.314 4.228 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA HA 1 4 PHE H 3.530 . 3.880 2.778 2.239 3.523 . 0 0 "[ . 1 . 2]" 1
5 1 3 ALA HA 1 5 LYS H 5.310 . 5.840 5.500 4.409 6.003 0.163 4 0 "[ . 1 . 2]" 1
6 1 3 ALA HA 1 6 THR MG 3.960 . 4.360 3.231 2.109 4.444 0.084 8 0 "[ . 1 . 2]" 1
7 1 3 ALA MB 1 4 PHE H 4.320 . 4.750 3.426 2.723 3.731 . 0 0 "[ . 1 . 2]" 1
8 1 3 ALA MB 1 4 PHE QB 5.100 . 5.610 4.572 3.847 5.094 . 0 0 "[ . 1 . 2]" 1
9 1 4 PHE H 1 4 PHE HB2 4.030 . 4.430 2.656 2.294 3.293 . 0 0 "[ . 1 . 2]" 1
10 1 4 PHE H 1 4 PHE QB 3.300 . 3.630 2.482 2.228 2.830 . 0 0 "[ . 1 . 2]" 1
11 1 4 PHE H 1 4 PHE HB3 4.030 . 4.430 3.239 2.660 3.752 . 0 0 "[ . 1 . 2]" 1
12 1 4 PHE H 1 5 LYS H 3.910 . 4.300 4.183 3.654 4.525 0.225 4 0 "[ . 1 . 2]" 1
13 1 4 PHE H 1 6 THR MG 5.080 . 5.590 3.116 1.845 4.380 . 0 0 "[ . 1 . 2]" 1
14 1 4 PHE HA 1 4 PHE QD 3.610 . 3.970 2.911 2.191 3.133 . 0 0 "[ . 1 . 2]" 1
15 1 4 PHE HA 1 4 PHE QE 4.360 . 4.800 4.569 4.411 4.743 . 0 0 "[ . 1 . 2]" 1
16 1 4 PHE HA 1 6 THR MG 5.020 . 5.520 4.436 3.738 5.266 . 0 0 "[ . 1 . 2]" 1
17 1 4 PHE HA 1 25 ARG HB2 4.290 . 4.720 3.323 2.529 4.527 . 0 0 "[ . 1 . 2]" 1
18 1 4 PHE HA 1 25 ARG HB3 5.500 . 6.050 4.829 4.159 6.016 . 0 0 "[ . 1 . 2]" 1
19 1 4 PHE QB 1 5 LYS H 3.910 . 4.300 3.614 2.973 4.037 . 0 0 "[ . 1 . 2]" 1
20 1 4 PHE QB 1 5 LYS QE 3.530 . 3.880 3.745 2.952 4.195 0.315 14 0 "[ . 1 . 2]" 1
21 1 4 PHE QB 1 25 ARG HA 5.340 . 5.870 4.665 3.051 5.422 . 0 0 "[ . 1 . 2]" 1
22 1 4 PHE HB2 1 6 THR MG 5.500 . 6.050 4.889 3.990 5.699 . 0 0 "[ . 1 . 2]" 1
23 1 4 PHE HB3 1 6 THR MG 5.500 . 6.050 4.773 3.764 5.722 . 0 0 "[ . 1 . 2]" 1
24 1 4 PHE QD 1 5 LYS H 4.640 . 5.100 3.880 3.311 4.401 . 0 0 "[ . 1 . 2]" 1
25 1 4 PHE QD 1 25 ARG HA 3.930 . 4.320 3.149 2.115 4.028 . 0 0 "[ . 1 . 2]" 1
26 1 4 PHE QD 1 25 ARG HB2 4.610 . 5.070 3.434 1.975 4.364 . 0 0 "[ . 1 . 2]" 1
27 1 4 PHE QD 1 25 ARG HB3 4.850 . 5.330 3.987 3.224 5.083 . 0 0 "[ . 1 . 2]" 1
28 1 4 PHE QD 1 25 ARG QD 5.340 . 5.870 5.147 4.047 5.912 0.042 5 0 "[ . 1 . 2]" 1
29 1 4 PHE QE 1 5 LYS QE 4.150 . 4.570 3.461 2.170 4.708 0.138 18 0 "[ . 1 . 2]" 1
30 1 4 PHE QE 1 25 ARG HA 3.980 . 4.380 3.109 2.340 3.909 . 0 0 "[ . 1 . 2]" 1
31 1 4 PHE QE 1 25 ARG HB2 4.780 . 5.260 3.784 3.138 4.431 . 0 0 "[ . 1 . 2]" 1
32 1 4 PHE QE 1 25 ARG QD 5.340 . 5.870 5.033 4.010 5.606 . 0 0 "[ . 1 . 2]" 1
33 1 5 LYS H 1 5 LYS HB2 4.170 . 4.590 3.794 3.582 4.013 . 0 0 "[ . 1 . 2]" 1
34 1 5 LYS H 1 5 LYS QB 3.510 . 3.860 3.184 2.876 3.445 . 0 0 "[ . 1 . 2]" 1
35 1 5 LYS H 1 5 LYS HB3 4.170 . 4.590 3.595 2.953 4.134 . 0 0 "[ . 1 . 2]" 1
36 1 5 LYS H 1 5 LYS HG2 4.240 . 4.660 3.462 2.969 3.893 . 0 0 "[ . 1 . 2]" 1
37 1 5 LYS H 1 5 LYS QG 3.630 . 3.990 3.124 2.667 3.718 . 0 0 "[ . 1 . 2]" 1
38 1 5 LYS H 1 5 LYS HG3 4.240 . 4.660 3.946 2.824 4.710 0.050 13 0 "[ . 1 . 2]" 1
39 1 5 LYS H 1 6 THR H 4.150 . 4.570 2.789 2.513 3.120 . 0 0 "[ . 1 . 2]" 1
40 1 5 LYS H 1 6 THR MG 4.780 . 5.260 4.351 4.032 4.889 . 0 0 "[ . 1 . 2]" 1
41 1 5 LYS H 1 25 ARG HA 5.500 . 6.050 4.026 2.932 4.669 . 0 0 "[ . 1 . 2]" 1
42 1 5 LYS HA 1 7 ALA H 4.060 . 4.470 3.158 2.584 3.719 . 0 0 "[ . 1 . 2]" 1
43 1 5 LYS HA 1 27 ALA H 4.240 . 4.660 2.670 2.101 3.445 . 0 0 "[ . 1 . 2]" 1
44 1 5 LYS HA 1 27 ALA MB 4.470 . 4.920 2.937 2.280 4.010 . 0 0 "[ . 1 . 2]" 1
45 1 5 LYS HA 1 33 LEU QD 5.250 . 5.780 4.228 3.651 4.878 . 0 0 "[ . 1 . 2]" 1
46 1 5 LYS QB 1 6 THR H 4.220 . 4.640 3.869 3.385 4.094 . 0 0 "[ . 1 . 2]" 1
47 1 5 LYS QB 1 6 THR HA 5.190 . 5.710 4.626 4.217 4.971 . 0 0 "[ . 1 . 2]" 1
48 1 5 LYS QB 1 7 ALA H 5.160 . 5.680 4.551 3.906 4.974 . 0 0 "[ . 1 . 2]" 1
49 1 5 LYS QB 1 27 ALA H 4.480 . 4.930 3.522 2.566 4.891 . 0 0 "[ . 1 . 2]" 1
50 1 5 LYS QB 1 27 ALA HA 5.090 . 5.600 2.914 2.181 4.192 . 0 0 "[ . 1 . 2]" 1
51 1 5 LYS QB 1 27 ALA MB 3.820 . 4.200 2.241 1.792 2.934 0.008 7 0 "[ . 1 . 2]" 1
52 1 5 LYS QB 1 33 LEU HA 5.140 . 5.650 3.575 2.815 5.293 . 0 0 "[ . 1 . 2]" 1
53 1 5 LYS HB2 1 6 THR H 4.910 . 5.400 4.209 3.536 4.592 . 0 0 "[ . 1 . 2]" 1
54 1 5 LYS HB3 1 6 THR H 4.910 . 5.400 4.538 4.319 4.657 . 0 0 "[ . 1 . 2]" 1
55 1 5 LYS QD 1 27 ALA HA 3.990 . 4.390 3.080 1.997 4.346 . 0 0 "[ . 1 . 2]" 1
56 1 5 LYS QE 1 25 ARG HA 4.950 . 5.440 4.316 3.088 5.506 0.066 20 0 "[ . 1 . 2]" 1
57 1 6 THR H 1 6 THR MG 3.480 . 3.830 2.506 2.349 2.702 . 0 0 "[ . 1 . 2]" 1
58 1 6 THR H 1 7 ALA H 2.900 . 3.190 2.405 2.219 2.560 . 0 0 "[ . 1 . 2]" 1
59 1 6 THR H 1 7 ALA MB 4.890 . 5.380 4.276 3.953 4.496 . 0 0 "[ . 1 . 2]" 1
60 1 6 THR HA 1 6 THR MG 3.180 . 3.500 2.367 2.324 2.412 . 0 0 "[ . 1 . 2]" 1
61 1 6 THR HA 1 7 ALA H 3.510 . 3.860 3.395 3.278 3.492 . 0 0 "[ . 1 . 2]" 1
62 1 6 THR HA 1 33 LEU MD1 5.230 . 5.750 4.601 2.784 5.841 0.091 6 0 "[ . 1 . 2]" 1
63 1 6 THR HA 1 33 LEU QD 3.900 . 4.290 3.272 2.300 3.904 . 0 0 "[ . 1 . 2]" 1
64 1 6 THR HA 1 33 LEU MD2 5.230 . 5.750 4.050 2.306 5.750 . 0 0 "[ . 1 . 2]" 1
65 1 6 THR HA 1 34 ARG H 3.710 . 4.080 2.942 2.350 3.892 . 0 0 "[ . 1 . 2]" 1
66 1 6 THR HA 1 34 ARG HB2 5.500 . 6.050 3.626 2.414 5.170 . 0 0 "[ . 1 . 2]" 1
67 1 6 THR HB 1 7 ALA H 4.610 . 5.070 4.069 3.714 4.222 . 0 0 "[ . 1 . 2]" 1
68 1 6 THR HB 1 7 ALA MB 4.830 . 5.310 4.323 3.972 4.579 . 0 0 "[ . 1 . 2]" 1
69 1 6 THR HB 1 33 LEU QD 5.010 . 5.510 4.686 3.865 5.190 . 0 0 "[ . 1 . 2]" 1
70 1 6 THR HB 1 36 PRO HD2 5.340 . 5.870 4.688 3.233 5.852 . 0 0 "[ . 1 . 2]" 1
71 1 6 THR HB 1 36 PRO HD3 4.860 . 5.350 3.090 1.999 4.342 . 0 0 "[ . 1 . 2]" 1
72 1 6 THR HB 1 36 PRO QG 5.350 . 5.890 3.731 2.205 5.923 0.033 20 0 "[ . 1 . 2]" 1
73 1 6 THR MG 1 7 ALA H 5.030 . 5.530 4.185 4.029 4.307 . 0 0 "[ . 1 . 2]" 1
74 1 6 THR MG 1 7 ALA MB 5.240 . 5.760 4.962 4.789 5.108 . 0 0 "[ . 1 . 2]" 1
75 1 6 THR MG 1 34 ARG H 4.280 . 4.710 4.029 3.471 4.756 0.046 1 0 "[ . 1 . 2]" 1
76 1 6 THR MG 1 34 ARG HB2 4.760 . 5.240 3.170 2.108 4.658 . 0 0 "[ . 1 . 2]" 1
77 1 6 THR MG 1 34 ARG HB3 4.880 . 5.370 3.625 2.628 4.945 . 0 0 "[ . 1 . 2]" 1
78 1 6 THR MG 1 36 PRO HA 4.150 . 4.570 3.437 2.181 4.340 . 0 0 "[ . 1 . 2]" 1
79 1 6 THR MG 1 36 PRO QB 4.850 . 5.330 3.933 1.895 4.935 . 0 0 "[ . 1 . 2]" 1
80 1 6 THR MG 1 36 PRO HD3 4.590 . 5.050 3.626 2.121 4.985 . 0 0 "[ . 1 . 2]" 1
81 1 6 THR MG 1 36 PRO QG 4.760 . 5.240 3.986 2.536 5.287 0.047 16 0 "[ . 1 . 2]" 1
82 1 6 THR MG 1 37 MET ME 5.110 . 5.620 4.260 2.214 5.451 . 0 0 "[ . 1 . 2]" 1
83 1 7 ALA H 1 7 ALA MB 3.020 . 3.320 2.584 2.501 2.702 . 0 0 "[ . 1 . 2]" 1
84 1 7 ALA H 1 8 LEU H 4.900 . 5.390 4.413 4.352 4.463 . 0 0 "[ . 1 . 2]" 1
85 1 7 ALA H 1 26 PHE QD 3.970 . 4.370 2.984 2.171 3.882 . 0 0 "[ . 1 . 2]" 1
86 1 7 ALA H 1 27 ALA H 4.220 . 4.640 3.764 3.262 4.180 . 0 0 "[ . 1 . 2]" 1
87 1 7 ALA H 1 27 ALA MB 3.730 . 4.100 4.010 3.489 4.193 0.093 10 0 "[ . 1 . 2]" 1
88 1 7 ALA H 1 33 LEU MD1 5.320 . 5.850 5.014 3.346 6.020 0.170 17 0 "[ . 1 . 2]" 1
89 1 7 ALA H 1 33 LEU QD 3.820 . 4.200 3.446 3.303 3.718 . 0 0 "[ . 1 . 2]" 1
90 1 7 ALA H 1 33 LEU MD2 5.320 . 5.850 4.194 3.321 5.927 0.077 19 0 "[ . 1 . 2]" 1
91 1 7 ALA HA 1 8 LEU H 3.090 . 3.400 2.373 2.230 2.445 . 0 0 "[ . 1 . 2]" 1
92 1 7 ALA HA 1 33 LEU QD 3.820 . 4.200 2.563 2.313 2.845 . 0 0 "[ . 1 . 2]" 1
93 1 7 ALA MB 1 8 LEU H 3.290 . 3.620 2.568 2.368 2.933 . 0 0 "[ . 1 . 2]" 1
94 1 7 ALA MB 1 8 LEU HA 5.180 . 5.700 4.406 4.315 4.578 . 0 0 "[ . 1 . 2]" 1
95 1 7 ALA MB 1 8 LEU QD 5.280 . 5.810 4.600 4.438 4.794 . 0 0 "[ . 1 . 2]" 1
96 1 7 ALA MB 1 26 PHE HB3 4.940 . 5.430 4.098 3.591 4.588 . 0 0 "[ . 1 . 2]" 1
97 1 7 ALA MB 1 26 PHE QD 3.140 . 3.450 2.380 1.982 3.133 . 0 0 "[ . 1 . 2]" 1
98 1 7 ALA MB 1 27 ALA H 4.750 . 5.220 4.566 4.357 4.709 . 0 0 "[ . 1 . 2]" 1
99 1 7 ALA MB 1 27 ALA MB 5.500 . 6.050 4.808 4.543 4.959 . 0 0 "[ . 1 . 2]" 1
100 1 7 ALA MB 1 33 LEU MD1 4.820 . 5.300 4.760 3.693 5.359 0.059 11 0 "[ . 1 . 2]" 1
101 1 7 ALA MB 1 33 LEU QD 4.020 . 4.420 3.740 3.605 3.932 . 0 0 "[ . 1 . 2]" 1
102 1 7 ALA MB 1 33 LEU MD2 4.820 . 5.300 4.303 3.692 5.419 0.119 12 0 "[ . 1 . 2]" 1
103 1 8 LEU H 1 8 LEU HB2 3.090 . 3.400 2.412 2.368 2.469 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU H 1 8 LEU HB3 3.630 . 3.990 3.612 3.590 3.639 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU H 1 8 LEU MD1 4.220 . 4.640 3.721 3.636 3.797 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU H 1 8 LEU QD 3.680 . 4.050 3.251 3.166 3.340 . 0 0 "[ . 1 . 2]" 1
107 1 8 LEU H 1 8 LEU MD2 4.220 . 4.640 3.593 3.423 3.749 . 0 0 "[ . 1 . 2]" 1
108 1 8 LEU H 1 8 LEU HG 3.380 . 3.720 2.573 2.444 2.724 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU H 1 27 ALA MB 4.770 . 5.250 4.262 3.894 4.727 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU H 1 33 LEU MD1 4.390 . 4.830 4.015 2.912 4.931 0.101 9 0 "[ . 1 . 2]" 1
111 1 8 LEU H 1 33 LEU QD 3.720 . 4.090 3.017 2.641 3.348 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU H 1 33 LEU MD2 4.390 . 4.830 3.504 2.655 4.906 0.076 13 0 "[ . 1 . 2]" 1
113 1 8 LEU HA 1 8 LEU MD1 4.310 . 4.740 3.919 3.897 3.935 . 0 0 "[ . 1 . 2]" 1
114 1 8 LEU HA 1 8 LEU QD 2.960 . 3.260 2.041 1.979 2.095 . 0 0 "[ . 1 . 2]" 1
115 1 8 LEU HA 1 8 LEU MD2 4.310 . 4.740 2.048 1.985 2.103 . 0 0 "[ . 1 . 2]" 1
116 1 8 LEU HA 1 8 LEU HG 4.240 . 4.660 3.051 2.936 3.137 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU HA 1 9 CYS H 2.800 . 3.080 2.271 2.160 2.353 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU HA 1 9 CYS HA 4.570 . 5.030 4.365 4.313 4.422 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU HA 1 9 CYS HB3 5.050 . 5.560 4.575 4.493 4.687 . 0 0 "[ . 1 . 2]" 1
120 1 8 LEU HA 1 26 PHE HB3 4.430 . 4.870 3.587 3.256 3.969 . 0 0 "[ . 1 . 2]" 1
121 1 8 LEU HA 1 27 ALA H 3.590 . 3.950 2.914 2.543 3.361 . 0 0 "[ . 1 . 2]" 1
122 1 8 LEU HA 1 27 ALA MB 3.270 . 3.600 2.408 1.994 2.840 . 0 0 "[ . 1 . 2]" 1
123 1 8 LEU HA 1 33 LEU MD1 5.300 . 5.830 4.304 3.196 5.671 . 0 0 "[ . 1 . 2]" 1
124 1 8 LEU HA 1 33 LEU QD 4.400 . 4.840 3.086 2.797 3.835 . 0 0 "[ . 1 . 2]" 1
125 1 8 LEU HA 1 33 LEU MD2 5.300 . 5.830 3.546 2.805 5.413 . 0 0 "[ . 1 . 2]" 1
126 1 8 LEU HB2 1 9 CYS H 4.280 . 4.710 3.857 3.711 4.116 . 0 0 "[ . 1 . 2]" 1
127 1 8 LEU HB3 1 8 LEU MD1 3.400 . 3.740 2.466 2.424 2.522 . 0 0 "[ . 1 . 2]" 1
128 1 8 LEU HB3 1 8 LEU QD 2.930 . 3.220 2.182 2.173 2.189 . 0 0 "[ . 1 . 2]" 1
129 1 8 LEU HB3 1 8 LEU MD2 3.400 . 3.740 2.434 2.389 2.472 . 0 0 "[ . 1 . 2]" 1
130 1 8 LEU HB3 1 9 CYS H 3.790 . 4.170 2.657 2.462 3.099 . 0 0 "[ . 1 . 2]" 1
131 1 8 LEU QD 1 9 CYS H 3.830 . 4.210 3.198 2.970 3.435 . 0 0 "[ . 1 . 2]" 1
132 1 8 LEU QD 1 12 TYR QD 4.400 . 4.840 3.778 2.755 4.584 . 0 0 "[ . 1 . 2]" 1
133 1 8 LEU QD 1 12 TYR QE 4.530 . 4.980 4.046 2.515 5.029 0.049 18 0 "[ . 1 . 2]" 1
134 1 8 LEU QD 1 13 LYS QB 4.850 . 5.330 4.361 2.869 5.116 . 0 0 "[ . 1 . 2]" 1
135 1 8 LEU QD 1 13 LYS QD 4.520 . 4.970 2.991 2.198 4.826 . 0 0 "[ . 1 . 2]" 1
136 1 8 LEU QD 1 13 LYS QE 3.760 . 4.140 3.309 2.311 4.170 0.030 2 0 "[ . 1 . 2]" 1
137 1 8 LEU QD 1 27 ALA H 4.870 . 5.360 3.906 3.666 4.384 . 0 0 "[ . 1 . 2]" 1
138 1 8 LEU QD 1 27 ALA HA 5.440 . 5.980 4.458 4.143 5.245 . 0 0 "[ . 1 . 2]" 1
139 1 8 LEU QD 1 27 ALA MB 3.130 . 3.440 2.090 1.789 2.744 0.011 14 0 "[ . 1 . 2]" 1
140 1 8 LEU QD 1 28 HIS HA 4.480 . 4.930 3.939 3.466 4.643 . 0 0 "[ . 1 . 2]" 1
141 1 8 LEU QD 1 29 GLY QA 3.910 . 4.300 3.124 2.755 4.317 0.017 12 0 "[ . 1 . 2]" 1
142 1 8 LEU QD 1 30 VAL H 4.820 . 5.300 3.786 3.176 4.755 . 0 0 "[ . 1 . 2]" 1
143 1 8 LEU QD 1 30 VAL HA 3.410 . 3.750 3.079 2.347 3.801 0.051 2 0 "[ . 1 . 2]" 1
144 1 8 LEU QD 1 33 LEU QB 3.830 . 4.210 3.452 2.192 4.402 0.192 12 0 "[ . 1 . 2]" 1
145 1 8 LEU QD 1 33 LEU QD 2.550 . 2.800 2.013 1.800 2.258 . 0 0 "[ . 1 . 2]" 1
146 1 8 LEU MD1 1 12 TYR QD 5.500 . 6.050 4.655 3.409 5.494 . 0 0 "[ . 1 . 2]" 1
147 1 8 LEU MD1 1 12 TYR QE 5.500 . 6.050 4.978 3.036 6.060 0.010 12 0 "[ . 1 . 2]" 1
148 1 8 LEU MD2 1 12 TYR QD 5.500 . 6.050 4.010 2.902 4.918 . 0 0 "[ . 1 . 2]" 1
149 1 8 LEU MD2 1 12 TYR QE 5.500 . 6.050 4.294 2.667 5.389 . 0 0 "[ . 1 . 2]" 1
150 1 8 LEU HG 1 33 LEU MD1 4.260 . 4.690 2.787 2.131 4.415 . 0 0 "[ . 1 . 2]" 1
151 1 8 LEU HG 1 33 LEU QD 3.560 . 3.920 2.281 1.900 2.793 . 0 0 "[ . 1 . 2]" 1
152 1 8 LEU HG 1 33 LEU MD2 4.260 . 4.690 2.607 2.011 4.755 0.065 13 0 "[ . 1 . 2]" 1
153 1 9 CYS H 1 9 CYS HB2 3.280 . 3.610 2.670 2.570 2.795 . 0 0 "[ . 1 . 2]" 1
154 1 9 CYS H 1 9 CYS HB3 3.200 . 3.520 2.384 2.300 2.522 . 0 0 "[ . 1 . 2]" 1
155 1 9 CYS H 1 26 PHE HB2 5.000 . 5.500 4.187 3.721 4.521 . 0 0 "[ . 1 . 2]" 1
156 1 9 CYS H 1 26 PHE HB3 3.580 . 3.940 3.319 3.105 3.502 . 0 0 "[ . 1 . 2]" 1
157 1 9 CYS H 1 27 ALA H 3.910 . 4.300 3.705 3.129 4.128 . 0 0 "[ . 1 . 2]" 1
158 1 9 CYS H 1 27 ALA MB 4.450 . 4.890 3.785 3.490 4.071 . 0 0 "[ . 1 . 2]" 1
159 1 9 CYS H 1 28 HIS HA 5.100 . 5.610 3.815 3.571 4.095 . 0 0 "[ . 1 . 2]" 1
160 1 9 CYS H 1 28 HIS HD2 4.520 . 4.970 3.631 3.261 3.876 . 0 0 "[ . 1 . 2]" 1
161 1 9 CYS HA 1 10 ASP H 3.400 . 3.740 2.158 2.122 2.194 . 0 0 "[ . 1 . 2]" 1
162 1 9 CYS HA 1 10 ASP QB 4.920 . 5.410 4.203 4.032 4.465 . 0 0 "[ . 1 . 2]" 1
163 1 9 CYS HA 1 11 ALA H 4.120 . 4.530 3.931 3.768 4.304 . 0 0 "[ . 1 . 2]" 1
164 1 9 CYS HA 1 26 PHE HB2 4.100 . 4.510 2.473 2.035 2.793 . 0 0 "[ . 1 . 2]" 1
165 1 9 CYS HA 1 26 PHE HB3 3.410 . 3.750 2.471 2.094 2.945 . 0 0 "[ . 1 . 2]" 1
166 1 9 CYS HA 1 26 PHE QD 4.650 . 5.120 3.591 2.950 3.869 . 0 0 "[ . 1 . 2]" 1
167 1 9 CYS HB2 1 11 ALA H 4.670 . 5.140 5.049 4.768 5.183 0.043 18 0 "[ . 1 . 2]" 1
168 1 9 CYS HB2 1 26 PHE H 4.600 . 5.060 4.084 3.809 4.362 . 0 0 "[ . 1 . 2]" 1
169 1 9 CYS HB2 1 26 PHE HB2 3.850 . 4.230 2.574 2.207 2.888 . 0 0 "[ . 1 . 2]" 1
170 1 9 CYS HB2 1 26 PHE HB3 3.780 . 4.160 2.967 2.634 3.499 . 0 0 "[ . 1 . 2]" 1
171 1 9 CYS HB2 1 27 ALA H 4.590 . 5.050 3.954 3.601 4.377 . 0 0 "[ . 1 . 2]" 1
172 1 9 CYS HB2 1 28 HIS HA 4.950 . 5.440 4.132 3.643 4.578 . 0 0 "[ . 1 . 2]" 1
173 1 9 CYS HB2 1 28 HIS HD2 3.760 . 4.140 2.313 2.013 2.686 . 0 0 "[ . 1 . 2]" 1
174 1 9 CYS HB3 1 10 ASP H 5.070 . 5.580 4.352 4.126 4.431 . 0 0 "[ . 1 . 2]" 1
175 1 9 CYS HB3 1 11 ALA H 4.430 . 4.870 4.629 4.266 4.880 0.010 13 0 "[ . 1 . 2]" 1
176 1 9 CYS HB3 1 11 ALA MB 5.050 . 5.560 4.615 4.289 4.961 . 0 0 "[ . 1 . 2]" 1
177 1 9 CYS HB3 1 28 HIS HA 4.670 . 5.140 3.296 3.018 3.674 . 0 0 "[ . 1 . 2]" 1
178 1 9 CYS HB3 1 28 HIS HD2 3.670 . 4.040 2.110 1.800 2.470 . 0 0 "[ . 1 . 2]" 1
179 1 10 ASP H 1 10 ASP HB2 3.920 . 4.310 2.629 2.431 3.629 . 0 0 "[ . 1 . 2]" 1
180 1 10 ASP H 1 10 ASP QB 3.330 . 3.660 2.328 2.225 2.538 . 0 0 "[ . 1 . 2]" 1
181 1 10 ASP H 1 10 ASP HB3 3.920 . 4.310 2.807 2.448 3.631 . 0 0 "[ . 1 . 2]" 1
182 1 10 ASP H 1 11 ALA H 3.590 . 3.950 2.656 2.539 2.801 . 0 0 "[ . 1 . 2]" 1
183 1 10 ASP H 1 26 PHE HB3 5.500 . 6.050 4.404 3.917 4.974 . 0 0 "[ . 1 . 2]" 1
184 1 10 ASP HA 1 13 LYS H 3.920 . 4.310 3.358 3.004 3.657 . 0 0 "[ . 1 . 2]" 1
185 1 10 ASP HA 1 13 LYS QB 3.510 . 3.860 3.113 2.302 4.051 0.191 3 0 "[ . 1 . 2]" 1
186 1 10 ASP HA 1 13 LYS HD2 5.500 . 6.050 3.994 2.683 5.091 . 0 0 "[ . 1 . 2]" 1
187 1 10 ASP HA 1 13 LYS HD3 5.500 . 6.050 3.655 2.353 5.324 . 0 0 "[ . 1 . 2]" 1
188 1 10 ASP HA 1 13 LYS HE2 5.330 . 5.860 4.235 2.583 5.870 0.010 19 0 "[ . 1 . 2]" 1
189 1 10 ASP HA 1 13 LYS QE 4.590 . 5.050 3.413 1.993 5.063 0.013 19 0 "[ . 1 . 2]" 1
190 1 10 ASP HA 1 13 LYS HE3 5.330 . 5.860 3.867 2.004 5.585 . 0 0 "[ . 1 . 2]" 1
191 1 10 ASP HA 1 13 LYS QG 4.370 . 4.810 2.914 1.815 4.068 . 0 0 "[ . 1 . 2]" 1
192 1 10 ASP HA 1 14 ARG H 5.160 . 5.680 4.125 3.706 4.638 . 0 0 "[ . 1 . 2]" 1
193 1 10 ASP HB2 1 11 ALA H 3.480 . 3.830 3.609 2.713 3.918 0.088 12 0 "[ . 1 . 2]" 1
194 1 10 ASP HB3 1 11 ALA H 3.480 . 3.830 3.039 2.514 3.936 0.106 19 0 "[ . 1 . 2]" 1
195 1 11 ALA H 1 11 ALA MB 2.570 . 2.830 2.241 2.225 2.255 . 0 0 "[ . 1 . 2]" 1
196 1 11 ALA H 1 14 ARG QB 5.340 . 5.870 5.292 4.918 5.834 . 0 0 "[ . 1 . 2]" 1
197 1 11 ALA HA 1 14 ARG H 4.270 . 4.700 3.722 3.378 4.061 . 0 0 "[ . 1 . 2]" 1
198 1 11 ALA HA 1 14 ARG HB2 4.690 . 5.160 3.716 2.765 5.161 0.001 18 0 "[ . 1 . 2]" 1
199 1 11 ALA HA 1 14 ARG QB 3.840 . 4.220 3.461 2.738 4.230 0.010 3 0 "[ . 1 . 2]" 1
200 1 11 ALA HA 1 14 ARG HB3 4.690 . 5.160 4.809 4.359 5.216 0.056 8 0 "[ . 1 . 2]" 1
201 1 11 ALA MB 1 14 ARG QB 4.720 . 5.190 4.792 4.203 5.351 0.161 3 0 "[ . 1 . 2]" 1
202 1 11 ALA MB 1 18 CYS HA 3.930 . 4.320 2.545 2.039 3.411 . 0 0 "[ . 1 . 2]" 1
203 1 11 ALA MB 1 18 CYS HB2 4.030 . 4.430 3.083 2.361 4.055 . 0 0 "[ . 1 . 2]" 1
204 1 11 ALA MB 1 18 CYS HB3 5.290 . 5.820 4.237 3.766 5.085 . 0 0 "[ . 1 . 2]" 1
205 1 12 TYR HA 1 16 GLN H 4.090 . 4.500 3.427 2.852 4.438 . 0 0 "[ . 1 . 2]" 1
206 1 12 TYR QB 1 13 LYS H 3.660 . 4.030 2.746 2.268 2.921 . 0 0 "[ . 1 . 2]" 1
207 1 12 TYR QB 1 16 GLN H 4.720 . 5.190 5.102 4.722 5.440 0.250 18 0 "[ . 1 . 2]" 1
208 1 12 TYR QB 1 28 HIS HA 4.690 . 5.160 3.188 2.686 3.518 . 0 0 "[ . 1 . 2]" 1
209 1 12 TYR HB2 1 13 LYS H 4.320 . 4.750 4.044 3.739 4.180 . 0 0 "[ . 1 . 2]" 1
210 1 12 TYR HB2 1 28 HIS HD2 4.950 . 5.440 2.927 2.258 3.545 . 0 0 "[ . 1 . 2]" 1
211 1 12 TYR HB3 1 13 LYS H 4.320 . 4.750 2.795 2.288 2.982 . 0 0 "[ . 1 . 2]" 1
212 1 12 TYR HB3 1 28 HIS HD2 4.950 . 5.440 3.440 2.996 3.852 . 0 0 "[ . 1 . 2]" 1
213 1 12 TYR QD 1 13 LYS H 4.110 . 4.520 3.707 3.139 4.082 . 0 0 "[ . 1 . 2]" 1
214 1 12 TYR QD 1 13 LYS HA 4.520 . 4.970 3.678 3.208 4.240 . 0 0 "[ . 1 . 2]" 1
215 1 12 TYR QD 1 16 GLN H 5.020 . 5.520 5.163 4.745 5.432 . 0 0 "[ . 1 . 2]" 1
216 1 12 TYR QD 1 17 ALA HA 5.000 . 5.500 4.282 2.223 5.534 0.034 19 0 "[ . 1 . 2]" 1
217 1 12 TYR QD 1 18 CYS H 4.840 . 5.320 3.864 2.294 5.332 0.012 19 0 "[ . 1 . 2]" 1
218 1 12 TYR QD 1 18 CYS HB2 5.010 . 5.510 3.724 2.437 4.999 . 0 0 "[ . 1 . 2]" 1
219 1 12 TYR QD 1 18 CYS HB3 5.500 . 6.050 4.199 3.007 5.807 . 0 0 "[ . 1 . 2]" 1
220 1 12 TYR QD 1 28 HIS HA 4.260 . 4.690 3.222 3.018 3.449 . 0 0 "[ . 1 . 2]" 1
221 1 12 TYR QE 1 13 LYS QB 5.340 . 5.870 5.618 4.494 6.037 0.167 13 0 "[ . 1 . 2]" 1
222 1 12 TYR QE 1 28 HIS HA 4.880 . 5.370 3.864 3.434 4.216 . 0 0 "[ . 1 . 2]" 1
223 1 12 TYR QE 1 28 HIS HB3 3.830 . 4.210 3.445 3.062 4.238 0.028 15 0 "[ . 1 . 2]" 1
224 1 12 TYR QE 1 29 GLY QA 4.200 . 4.620 3.525 2.702 4.326 . 0 0 "[ . 1 . 2]" 1
225 1 13 LYS H 1 13 LYS QB 2.640 . 2.900 2.506 2.396 2.703 . 0 0 "[ . 1 . 2]" 1
226 1 13 LYS H 1 13 LYS HD2 5.500 . 6.050 4.638 3.760 5.110 . 0 0 "[ . 1 . 2]" 1
227 1 13 LYS H 1 13 LYS QD 4.810 . 5.290 4.080 3.561 4.526 . 0 0 "[ . 1 . 2]" 1
228 1 13 LYS H 1 13 LYS HD3 5.500 . 6.050 4.595 3.977 5.051 . 0 0 "[ . 1 . 2]" 1
229 1 13 LYS H 1 13 LYS HG2 3.840 . 4.220 3.120 2.098 3.690 . 0 0 "[ . 1 . 2]" 1
230 1 13 LYS H 1 13 LYS QG 3.150 . 3.470 2.306 2.077 2.552 . 0 0 "[ . 1 . 2]" 1
231 1 13 LYS H 1 13 LYS HG3 3.840 . 4.220 2.718 2.250 3.486 . 0 0 "[ . 1 . 2]" 1
232 1 13 LYS H 1 14 ARG H 3.230 . 3.550 2.515 2.399 2.717 . 0 0 "[ . 1 . 2]" 1
233 1 13 LYS HA 1 13 LYS HD2 5.430 . 5.970 4.727 4.203 5.625 . 0 0 "[ . 1 . 2]" 1
234 1 13 LYS HA 1 13 LYS QD 4.660 . 5.130 4.267 3.945 4.593 . 0 0 "[ . 1 . 2]" 1
235 1 13 LYS HA 1 13 LYS HD3 5.430 . 5.970 4.955 4.443 5.623 . 0 0 "[ . 1 . 2]" 1
236 1 13 LYS HA 1 13 LYS HG2 3.790 . 4.170 2.939 2.468 3.812 . 0 0 "[ . 1 . 2]" 1
237 1 13 LYS HA 1 13 LYS HG3 3.790 . 4.170 3.359 2.995 3.908 . 0 0 "[ . 1 . 2]" 1
238 1 13 LYS HA 1 15 SER H 5.170 . 5.690 4.950 4.364 5.232 . 0 0 "[ . 1 . 2]" 1
239 1 13 LYS QB 1 13 LYS QD 3.210 . 3.530 2.373 2.185 2.487 . 0 0 "[ . 1 . 2]" 1
240 1 13 LYS QB 1 13 LYS QE 3.900 . 4.290 2.420 1.977 3.603 . 0 0 "[ . 1 . 2]" 1
241 1 13 LYS QB 1 14 ARG H 3.820 . 4.200 3.049 2.440 3.768 . 0 0 "[ . 1 . 2]" 1
242 1 14 ARG H 1 14 ARG HB2 3.710 . 4.080 2.787 2.395 3.732 . 0 0 "[ . 1 . 2]" 1
243 1 14 ARG H 1 14 ARG QB 3.040 . 3.340 2.496 2.362 2.728 . 0 0 "[ . 1 . 2]" 1
244 1 14 ARG H 1 14 ARG HB3 3.710 . 4.080 3.422 2.536 3.703 . 0 0 "[ . 1 . 2]" 1
245 1 14 ARG H 1 14 ARG QD 5.270 . 5.800 3.830 3.324 4.485 . 0 0 "[ . 1 . 2]" 1
246 1 14 ARG H 1 14 ARG HG2 4.230 . 4.650 2.796 2.142 3.897 . 0 0 "[ . 1 . 2]" 1
247 1 14 ARG H 1 14 ARG QG 3.380 . 3.720 2.468 2.114 2.770 . 0 0 "[ . 1 . 2]" 1
248 1 14 ARG H 1 14 ARG HG3 4.230 . 4.650 3.470 2.548 4.016 . 0 0 "[ . 1 . 2]" 1
249 1 14 ARG H 1 15 SER H 3.340 . 3.670 2.436 2.335 2.653 . 0 0 "[ . 1 . 2]" 1
250 1 14 ARG H 1 16 GLN H 4.190 . 4.610 3.578 3.407 3.862 . 0 0 "[ . 1 . 2]" 1
251 1 14 ARG HA 1 14 ARG HG2 4.060 . 4.470 3.191 2.561 3.817 . 0 0 "[ . 1 . 2]" 1
252 1 14 ARG HA 1 14 ARG QG 3.500 . 3.850 2.980 2.442 3.411 . 0 0 "[ . 1 . 2]" 1
253 1 14 ARG HA 1 14 ARG HG3 4.060 . 4.470 3.632 2.949 3.875 . 0 0 "[ . 1 . 2]" 1
254 1 14 ARG HA 1 15 SER HA 4.680 . 5.150 4.669 4.628 4.714 . 0 0 "[ . 1 . 2]" 1
255 1 14 ARG HA 1 16 GLN H 5.500 . 6.050 4.537 4.287 4.798 . 0 0 "[ . 1 . 2]" 1
256 1 14 ARG QB 1 14 ARG QD 3.270 . 3.600 2.405 2.165 2.849 . 0 0 "[ . 1 . 2]" 1
257 1 14 ARG QB 1 15 SER H 3.510 . 3.860 2.756 2.404 3.670 . 0 0 "[ . 1 . 2]" 1
258 1 14 ARG HB2 1 15 SER H 4.050 . 4.460 2.893 2.450 4.106 . 0 0 "[ . 1 . 2]" 1
259 1 14 ARG HB3 1 15 SER H 4.050 . 4.460 3.684 3.436 4.133 . 0 0 "[ . 1 . 2]" 1
260 1 15 SER H 1 15 SER QB 3.290 . 3.620 2.491 2.310 2.952 . 0 0 "[ . 1 . 2]" 1
261 1 15 SER H 1 16 GLN H 3.250 . 3.580 2.192 2.026 2.374 . 0 0 "[ . 1 . 2]" 1
262 1 15 SER QB 1 16 GLN H 4.050 . 4.460 3.344 3.000 3.892 . 0 0 "[ . 1 . 2]" 1
263 1 16 GLN H 1 17 ALA HA 5.500 . 6.050 5.513 5.156 5.812 . 0 0 "[ . 1 . 2]" 1
264 1 17 ALA HA 1 18 CYS H 3.260 . 3.590 2.194 2.149 2.264 . 0 0 "[ . 1 . 2]" 1
265 1 17 ALA HA 1 18 CYS HB2 5.340 . 5.870 4.664 4.475 4.865 . 0 0 "[ . 1 . 2]" 1
266 1 17 ALA MB 1 18 CYS H 3.780 . 4.160 3.283 2.796 3.581 . 0 0 "[ . 1 . 2]" 1
267 1 18 CYS H 1 18 CYS HB3 3.660 . 4.030 2.456 2.293 2.649 . 0 0 "[ . 1 . 2]" 1
268 1 18 CYS HB2 1 28 HIS HE1 3.950 . 4.350 3.719 3.021 4.293 . 0 0 "[ . 1 . 2]" 1
269 1 18 CYS HB3 1 20 TYR H 4.740 . 5.210 4.349 4.111 4.634 . 0 0 "[ . 1 . 2]" 1
270 1 18 CYS HB3 1 21 GLY H 3.760 . 4.140 3.126 2.602 3.640 . 0 0 "[ . 1 . 2]" 1
271 1 18 CYS HB3 1 21 GLY HA2 5.140 . 5.650 3.249 2.309 4.437 . 0 0 "[ . 1 . 2]" 1
272 1 18 CYS HB3 1 21 GLY HA3 5.350 . 5.890 4.826 4.007 5.929 0.039 6 0 "[ . 1 . 2]" 1
273 1 18 CYS HB3 1 28 HIS HE1 4.470 . 4.920 2.522 2.164 2.839 . 0 0 "[ . 1 . 2]" 1
274 1 19 SER HA 1 21 GLY H 5.070 . 5.580 4.311 3.915 4.540 . 0 0 "[ . 1 . 2]" 1
275 1 19 SER QB 1 20 TYR H 4.470 . 4.920 3.003 2.386 3.667 . 0 0 "[ . 1 . 2]" 1
276 1 19 SER QB 1 20 TYR HA 4.680 . 5.150 4.222 4.014 4.468 . 0 0 "[ . 1 . 2]" 1
277 1 19 SER QB 1 20 TYR QD 4.730 . 5.200 3.863 2.619 4.762 . 0 0 "[ . 1 . 2]" 1
278 1 20 TYR H 1 20 TYR HB2 3.710 . 4.080 2.471 2.293 2.575 . 0 0 "[ . 1 . 2]" 1
279 1 20 TYR H 1 20 TYR QB 3.110 . 3.420 2.431 2.267 2.525 . 0 0 "[ . 1 . 2]" 1
280 1 20 TYR H 1 20 TYR HB3 3.710 . 4.080 3.623 3.571 3.655 . 0 0 "[ . 1 . 2]" 1
281 1 20 TYR H 1 20 TYR QD 3.780 . 4.160 2.544 1.810 3.367 . 0 0 "[ . 1 . 2]" 1
282 1 20 TYR H 1 21 GLY H 3.040 . 3.340 2.508 2.287 2.703 . 0 0 "[ . 1 . 2]" 1
283 1 20 TYR HA 1 20 TYR QD 3.420 . 3.760 2.826 2.080 3.249 . 0 0 "[ . 1 . 2]" 1
284 1 20 TYR HA 1 20 TYR QE 5.010 . 5.510 4.651 4.361 4.880 . 0 0 "[ . 1 . 2]" 1
285 1 20 TYR QB 1 23 GLN H 4.040 . 4.440 3.646 3.215 4.211 . 0 0 "[ . 1 . 2]" 1
286 1 20 TYR QB 1 23 GLN HB2 4.710 . 5.180 2.657 1.912 3.399 . 0 0 "[ . 1 . 2]" 1
287 1 20 TYR QB 1 23 GLN HB3 4.730 . 5.200 3.644 3.008 4.312 . 0 0 "[ . 1 . 2]" 1
288 1 20 TYR QB 1 24 CYS H 3.220 . 3.540 3.030 2.542 3.474 . 0 0 "[ . 1 . 2]" 1
289 1 20 TYR QB 1 24 CYS HA 3.210 . 3.530 2.555 2.183 3.326 . 0 0 "[ . 1 . 2]" 1
290 1 20 TYR QB 1 24 CYS HB3 4.190 . 4.610 3.783 3.335 4.280 . 0 0 "[ . 1 . 2]" 1
291 1 20 TYR HB2 1 21 GLY H 3.810 . 4.190 2.900 2.527 3.220 . 0 0 "[ . 1 . 2]" 1
292 1 20 TYR HB2 1 23 GLN H 4.750 . 5.220 4.708 4.343 5.210 . 0 0 "[ . 1 . 2]" 1
293 1 20 TYR HB2 1 24 CYS H 3.710 . 4.080 3.615 3.184 4.095 0.015 14 0 "[ . 1 . 2]" 1
294 1 20 TYR HB2 1 24 CYS HA 3.700 . 4.070 2.894 2.229 3.952 . 0 0 "[ . 1 . 2]" 1
295 1 20 TYR HB2 1 24 CYS HB3 4.770 . 5.250 4.010 3.446 4.590 . 0 0 "[ . 1 . 2]" 1
296 1 20 TYR HB3 1 21 GLY H 3.810 . 4.190 3.848 3.618 4.074 . 0 0 "[ . 1 . 2]" 1
297 1 20 TYR HB3 1 23 GLN H 4.750 . 5.220 3.804 3.312 4.459 . 0 0 "[ . 1 . 2]" 1
298 1 20 TYR HB3 1 24 CYS H 3.710 . 4.080 3.278 2.649 3.756 . 0 0 "[ . 1 . 2]" 1
299 1 20 TYR HB3 1 24 CYS HA 3.700 . 4.070 2.922 2.358 3.653 . 0 0 "[ . 1 . 2]" 1
300 1 20 TYR HB3 1 24 CYS HB3 4.770 . 5.250 4.672 4.362 5.278 0.028 2 0 "[ . 1 . 2]" 1
301 1 20 TYR QD 1 21 GLY H 4.630 . 5.090 4.306 3.821 4.533 . 0 0 "[ . 1 . 2]" 1
302 1 20 TYR QD 1 24 CYS HA 5.090 . 5.600 3.777 2.988 4.387 . 0 0 "[ . 1 . 2]" 1
303 1 21 GLY H 1 21 GLY HA2 2.700 . 2.970 2.289 2.282 2.294 . 0 0 "[ . 1 . 2]" 1
304 1 21 GLY HA2 1 24 CYS H 5.030 . 5.530 4.682 4.310 5.055 . 0 0 "[ . 1 . 2]" 1
305 1 21 GLY HA2 1 28 HIS HE1 4.500 . 4.950 2.440 1.909 3.174 . 0 0 "[ . 1 . 2]" 1
306 1 21 GLY HA3 1 22 ASP QB 5.340 . 5.870 4.455 4.408 4.493 . 0 0 "[ . 1 . 2]" 1
307 1 21 GLY HA3 1 23 GLN H 4.140 . 4.550 3.677 3.402 3.911 . 0 0 "[ . 1 . 2]" 1
308 1 21 GLY HA3 1 24 CYS H 5.470 . 6.020 4.718 4.493 4.922 . 0 0 "[ . 1 . 2]" 1
309 1 21 GLY HA3 1 28 HIS HE1 5.090 . 5.600 4.008 3.637 4.550 . 0 0 "[ . 1 . 2]" 1
310 1 22 ASP H 1 22 ASP QB 3.680 . 4.050 2.433 2.380 2.495 . 0 0 "[ . 1 . 2]" 1
311 1 22 ASP H 1 23 GLN H 4.130 . 4.540 2.498 2.425 2.659 . 0 0 "[ . 1 . 2]" 1
312 1 22 ASP HA 1 24 CYS H 3.900 . 4.290 3.534 3.369 3.738 . 0 0 "[ . 1 . 2]" 1
313 1 22 ASP QB 1 23 GLN H 3.820 . 4.200 3.049 2.765 3.285 . 0 0 "[ . 1 . 2]" 1
314 1 22 ASP HB2 1 24 CYS H 5.500 . 6.050 5.058 4.923 5.272 . 0 0 "[ . 1 . 2]" 1
315 1 22 ASP HB3 1 24 CYS H 5.500 . 6.050 5.157 5.039 5.326 . 0 0 "[ . 1 . 2]" 1
316 1 23 GLN H 1 23 GLN HB2 2.930 . 3.220 2.491 2.443 2.580 . 0 0 "[ . 1 . 2]" 1
317 1 23 GLN H 1 23 GLN HG2 3.940 . 4.330 2.951 2.285 4.038 . 0 0 "[ . 1 . 2]" 1
318 1 23 GLN H 1 23 GLN HG3 3.940 . 4.330 3.376 2.376 3.903 . 0 0 "[ . 1 . 2]" 1
319 1 23 GLN H 1 24 CYS H 2.880 . 3.170 2.590 2.439 2.745 . 0 0 "[ . 1 . 2]" 1
320 1 23 GLN H 1 24 CYS HA 5.330 . 5.860 4.983 4.855 5.176 . 0 0 "[ . 1 . 2]" 1
321 1 23 GLN H 1 24 CYS HB2 4.490 . 4.940 4.579 4.413 4.816 . 0 0 "[ . 1 . 2]" 1
322 1 23 GLN HA 1 23 GLN QG 3.190 . 3.510 2.803 2.429 3.136 . 0 0 "[ . 1 . 2]" 1
323 1 23 GLN HA 1 24 CYS H 3.490 . 3.840 3.276 3.103 3.450 . 0 0 "[ . 1 . 2]" 1
324 1 23 GLN HB2 1 24 CYS H 4.020 . 4.420 3.639 3.268 3.951 . 0 0 "[ . 1 . 2]" 1
325 1 23 GLN HB3 1 24 CYS H 4.060 . 4.470 4.340 4.130 4.486 0.016 14 0 "[ . 1 . 2]" 1
326 1 24 CYS H 1 24 CYS HB2 2.860 . 3.150 2.535 2.274 2.698 . 0 0 "[ . 1 . 2]" 1
327 1 24 CYS H 1 24 CYS HB3 3.000 . 3.300 2.661 2.374 3.554 0.254 20 0 "[ . 1 . 2]" 1
328 1 24 CYS H 1 25 ARG H 4.780 . 5.260 4.527 4.445 4.581 . 0 0 "[ . 1 . 2]" 1
329 1 24 CYS HA 1 25 ARG H 2.730 . 3.000 2.170 2.105 2.207 . 0 0 "[ . 1 . 2]" 1
330 1 24 CYS HA 1 25 ARG HB3 5.310 . 5.840 4.626 4.490 4.942 . 0 0 "[ . 1 . 2]" 1
331 1 24 CYS HA 1 25 ARG QG 5.340 . 5.870 4.027 3.728 5.052 . 0 0 "[ . 1 . 2]" 1
332 1 24 CYS HA 1 26 PHE H 4.150 . 4.570 3.675 3.243 3.964 . 0 0 "[ . 1 . 2]" 1
333 1 24 CYS HB2 1 25 ARG H 5.170 . 5.690 4.292 4.183 4.400 . 0 0 "[ . 1 . 2]" 1
334 1 24 CYS HB2 1 26 PHE H 5.260 . 5.790 4.420 3.548 4.900 . 0 0 "[ . 1 . 2]" 1
335 1 24 CYS HB2 1 28 HIS HE1 3.860 . 4.250 3.256 2.874 3.822 . 0 0 "[ . 1 . 2]" 1
336 1 24 CYS HB3 1 25 ARG H 4.700 . 5.170 4.080 3.150 4.336 . 0 0 "[ . 1 . 2]" 1
337 1 24 CYS HB3 1 26 PHE H 4.230 . 4.650 3.572 2.293 4.345 . 0 0 "[ . 1 . 2]" 1
338 1 24 CYS HB3 1 28 HIS HE1 4.060 . 4.470 3.419 2.534 4.650 0.180 10 0 "[ . 1 . 2]" 1
339 1 25 ARG H 1 25 ARG HB3 3.340 . 3.670 2.760 2.640 3.214 . 0 0 "[ . 1 . 2]" 1
340 1 25 ARG H 1 25 ARG HD2 5.500 . 6.050 4.179 1.766 4.840 0.034 11 0 "[ . 1 . 2]" 1
341 1 25 ARG H 1 25 ARG QD 4.740 . 5.210 3.523 1.761 4.214 0.039 11 0 "[ . 1 . 2]" 1
342 1 25 ARG H 1 25 ARG HD3 5.500 . 6.050 4.040 1.785 4.866 0.015 19 0 "[ . 1 . 2]" 1
343 1 25 ARG H 1 25 ARG HG2 3.640 . 4.000 2.261 1.972 3.313 . 0 0 "[ . 1 . 2]" 1
344 1 25 ARG H 1 25 ARG HG3 3.640 . 4.000 3.308 3.023 3.954 . 0 0 "[ . 1 . 2]" 1
345 1 25 ARG H 1 26 PHE H 3.270 . 3.600 2.583 2.188 2.841 . 0 0 "[ . 1 . 2]" 1
346 1 25 ARG H 1 26 PHE HB2 4.730 . 5.200 4.619 4.093 4.901 . 0 0 "[ . 1 . 2]" 1
347 1 25 ARG H 1 26 PHE QD 4.800 . 5.280 4.023 2.931 4.969 . 0 0 "[ . 1 . 2]" 1
348 1 25 ARG HA 1 25 ARG HD2 5.500 . 6.050 4.956 4.091 5.618 . 0 0 "[ . 1 . 2]" 1
349 1 25 ARG HA 1 25 ARG HD3 5.500 . 6.050 4.931 3.755 5.619 . 0 0 "[ . 1 . 2]" 1
350 1 25 ARG HB2 1 25 ARG QD 3.700 . 4.070 2.742 2.392 3.604 . 0 0 "[ . 1 . 2]" 1
351 1 25 ARG HB2 1 26 PHE H 4.800 . 5.280 4.267 3.867 4.517 . 0 0 "[ . 1 . 2]" 1
352 1 25 ARG HB3 1 26 PHE H 4.770 . 5.250 4.385 4.064 4.620 . 0 0 "[ . 1 . 2]" 1
353 1 25 ARG QD 1 26 PHE H 5.340 . 5.870 4.728 3.217 5.668 . 0 0 "[ . 1 . 2]" 1
354 1 25 ARG QD 1 26 PHE QD 5.340 . 5.870 4.045 2.827 4.935 . 0 0 "[ . 1 . 2]" 1
355 1 25 ARG QG 1 26 PHE H 4.340 . 4.770 3.076 2.310 3.861 . 0 0 "[ . 1 . 2]" 1
356 1 25 ARG HG2 1 26 PHE H 5.040 . 5.540 3.474 2.613 4.383 . 0 0 "[ . 1 . 2]" 1
357 1 25 ARG HG3 1 26 PHE H 5.040 . 5.540 3.625 2.463 5.358 . 0 0 "[ . 1 . 2]" 1
358 1 26 PHE H 1 26 PHE HB2 3.260 . 3.590 2.569 2.312 2.736 . 0 0 "[ . 1 . 2]" 1
359 1 26 PHE H 1 26 PHE QD 3.640 . 4.000 3.210 2.233 3.603 . 0 0 "[ . 1 . 2]" 1
360 1 26 PHE HA 1 26 PHE QD 3.900 . 4.290 2.675 2.290 3.170 . 0 0 "[ . 1 . 2]" 1
361 1 26 PHE HB2 1 27 ALA H 4.380 . 4.820 3.788 3.642 4.029 . 0 0 "[ . 1 . 2]" 1
362 1 26 PHE HB3 1 27 ALA H 3.280 . 3.610 2.575 2.344 2.927 . 0 0 "[ . 1 . 2]" 1
363 1 26 PHE QD 1 27 ALA H 4.440 . 4.880 3.558 3.209 3.853 . 0 0 "[ . 1 . 2]" 1
364 1 27 ALA H 1 27 ALA MB 3.010 . 3.310 2.229 2.206 2.256 . 0 0 "[ . 1 . 2]" 1
365 1 27 ALA H 1 33 LEU MD1 5.500 . 6.050 5.372 3.849 6.174 0.124 15 0 "[ . 1 . 2]" 1
366 1 27 ALA H 1 33 LEU QD 4.720 . 5.190 3.747 3.447 4.856 . 0 0 "[ . 1 . 2]" 1
367 1 27 ALA H 1 33 LEU MD2 5.500 . 6.050 4.357 3.469 6.078 0.028 19 0 "[ . 1 . 2]" 1
368 1 27 ALA HA 1 28 HIS H 3.330 . 3.660 2.185 2.126 2.228 . 0 0 "[ . 1 . 2]" 1
369 1 27 ALA HA 1 28 HIS HA 4.610 . 5.070 4.481 4.446 4.505 . 0 0 "[ . 1 . 2]" 1
370 1 27 ALA HA 1 32 GLU HB2 4.680 . 5.150 3.268 2.462 4.860 . 0 0 "[ . 1 . 2]" 1
371 1 27 ALA HA 1 32 GLU QB 4.090 . 4.500 2.708 2.324 3.138 . 0 0 "[ . 1 . 2]" 1
372 1 27 ALA HA 1 32 GLU HB3 4.680 . 5.150 2.988 2.434 3.808 . 0 0 "[ . 1 . 2]" 1
373 1 27 ALA MB 1 28 HIS H 4.150 . 4.570 2.986 2.771 3.166 . 0 0 "[ . 1 . 2]" 1
374 1 27 ALA MB 1 32 GLU H 4.710 . 5.180 3.672 3.311 4.009 . 0 0 "[ . 1 . 2]" 1
375 1 27 ALA MB 1 32 GLU QB 3.120 . 3.430 2.090 1.824 2.663 . 0 0 "[ . 1 . 2]" 1
376 1 27 ALA MB 1 33 LEU H 4.160 . 4.580 3.187 2.843 3.557 . 0 0 "[ . 1 . 2]" 1
377 1 27 ALA MB 1 33 LEU HA 3.400 . 3.740 2.541 2.029 2.965 . 0 0 "[ . 1 . 2]" 1
378 1 27 ALA MB 1 33 LEU QD 3.510 . 3.860 2.202 1.956 3.080 . 0 0 "[ . 1 . 2]" 1
379 1 27 ALA MB 1 34 ARG H 4.680 . 5.150 3.838 3.197 4.289 . 0 0 "[ . 1 . 2]" 1
380 1 27 ALA MB 1 34 ARG QD 5.340 . 5.870 4.997 4.308 5.590 . 0 0 "[ . 1 . 2]" 1
381 1 28 HIS H 1 28 HIS HB2 4.020 . 4.420 2.457 2.417 2.544 . 0 0 "[ . 1 . 2]" 1
382 1 28 HIS H 1 32 GLU HB2 4.410 . 4.850 2.960 2.376 3.545 . 0 0 "[ . 1 . 2]" 1
383 1 28 HIS H 1 32 GLU HB3 4.410 . 4.850 3.348 2.145 4.309 . 0 0 "[ . 1 . 2]" 1
384 1 28 HIS H 1 32 GLU QG 4.910 . 5.400 3.246 2.071 4.267 . 0 0 "[ . 1 . 2]" 1
385 1 28 HIS HA 1 28 HIS HD2 3.610 . 3.970 2.434 2.306 2.646 . 0 0 "[ . 1 . 2]" 1
386 1 29 GLY QA 1 30 VAL QG 4.370 . 4.810 3.579 3.262 3.772 . 0 0 "[ . 1 . 2]" 1
387 1 29 GLY QA 1 31 HIS H 5.230 . 5.750 3.192 3.063 3.342 . 0 0 "[ . 1 . 2]" 1
388 1 29 GLY QA 1 31 HIS HE1 4.330 . 4.760 3.289 2.152 4.831 0.071 10 0 "[ . 1 . 2]" 1
389 1 30 VAL H 1 30 VAL HB 3.810 . 4.190 2.564 2.505 2.701 . 0 0 "[ . 1 . 2]" 1
390 1 30 VAL H 1 30 VAL MG1 3.900 . 4.290 2.470 2.051 3.837 . 0 0 "[ . 1 . 2]" 1
391 1 30 VAL H 1 30 VAL QG 3.150 . 3.470 2.091 1.918 2.197 . 0 0 "[ . 1 . 2]" 1
392 1 30 VAL H 1 30 VAL MG2 3.900 . 4.290 3.454 1.923 3.856 . 0 0 "[ . 1 . 2]" 1
393 1 30 VAL H 1 32 GLU H 4.820 . 5.300 4.186 3.824 4.601 . 0 0 "[ . 1 . 2]" 1
394 1 30 VAL H 1 33 LEU QD 4.970 . 5.470 4.541 3.981 5.547 0.077 9 0 "[ . 1 . 2]" 1
395 1 30 VAL HA 1 30 VAL MG1 3.350 . 3.690 3.106 2.410 3.281 . 0 0 "[ . 1 . 2]" 1
396 1 30 VAL HA 1 30 VAL MG2 3.350 . 3.690 2.407 2.327 2.552 . 0 0 "[ . 1 . 2]" 1
397 1 30 VAL HA 1 32 GLU H 4.840 . 5.320 4.073 3.799 4.324 . 0 0 "[ . 1 . 2]" 1
398 1 30 VAL HA 1 33 LEU H 4.270 . 4.700 3.268 2.785 3.741 . 0 0 "[ . 1 . 2]" 1
399 1 30 VAL HA 1 33 LEU QB 4.140 . 4.550 2.650 1.840 3.721 . 0 0 "[ . 1 . 2]" 1
400 1 30 VAL HA 1 33 LEU QD 3.420 . 3.760 2.467 1.805 3.642 . 0 0 "[ . 1 . 2]" 1
401 1 30 VAL HA 1 33 LEU HG 3.870 . 4.260 3.165 2.136 4.387 0.127 1 0 "[ . 1 . 2]" 1
402 1 30 VAL HB 1 33 LEU QD 4.680 . 5.150 3.907 3.235 5.000 . 0 0 "[ . 1 . 2]" 1
403 1 30 VAL QG 1 31 HIS H 4.750 . 5.220 2.657 2.307 3.463 . 0 0 "[ . 1 . 2]" 1
404 1 30 VAL QG 1 33 LEU QB 5.170 . 5.690 3.097 2.490 3.729 . 0 0 "[ . 1 . 2]" 1
405 1 30 VAL QG 1 33 LEU QD 2.730 . 3.000 2.451 1.916 3.194 0.194 9 0 "[ . 1 . 2]" 1
406 1 30 VAL MG1 1 31 HIS HA 4.770 . 5.250 3.509 3.259 4.107 . 0 0 "[ . 1 . 2]" 1
407 1 30 VAL MG1 1 33 LEU H 5.500 . 6.050 4.825 4.291 5.203 . 0 0 "[ . 1 . 2]" 1
408 1 30 VAL MG2 1 31 HIS HA 4.770 . 5.250 4.374 3.927 5.495 0.245 13 0 "[ . 1 . 2]" 1
409 1 30 VAL MG2 1 33 LEU H 5.500 . 6.050 4.527 4.095 5.393 . 0 0 "[ . 1 . 2]" 1
410 1 31 HIS H 1 32 GLU H 4.890 . 5.380 2.581 2.475 2.715 . 0 0 "[ . 1 . 2]" 1
411 1 31 HIS HA 1 33 LEU H 4.750 . 5.220 4.037 3.845 4.305 . 0 0 "[ . 1 . 2]" 1
412 1 31 HIS QB 1 31 HIS HD2 3.480 . 3.830 2.681 2.620 2.840 . 0 0 "[ . 1 . 2]" 1
413 1 32 GLU H 1 32 GLU HB2 4.100 . 4.510 2.440 2.222 2.627 . 0 0 "[ . 1 . 2]" 1
414 1 32 GLU H 1 32 GLU QB 3.340 . 3.670 2.398 2.157 2.574 . 0 0 "[ . 1 . 2]" 1
415 1 32 GLU H 1 32 GLU HB3 4.100 . 4.510 3.565 2.833 3.707 . 0 0 "[ . 1 . 2]" 1
416 1 32 GLU H 1 32 GLU HG2 4.320 . 4.750 3.418 2.440 4.370 . 0 0 "[ . 1 . 2]" 1
417 1 32 GLU H 1 32 GLU QG 3.770 . 4.150 2.779 2.362 3.974 . 0 0 "[ . 1 . 2]" 1
418 1 32 GLU H 1 32 GLU HG3 4.320 . 4.750 3.342 2.403 4.566 . 0 0 "[ . 1 . 2]" 1
419 1 32 GLU H 1 33 LEU H 3.250 . 3.580 2.419 2.131 2.609 . 0 0 "[ . 1 . 2]" 1
420 1 32 GLU HA 1 32 GLU HG2 3.820 . 4.200 2.830 2.365 3.803 . 0 0 "[ . 1 . 2]" 1
421 1 32 GLU HA 1 32 GLU QG 3.130 . 3.440 2.618 2.336 2.989 . 0 0 "[ . 1 . 2]" 1
422 1 32 GLU HA 1 32 GLU HG3 3.820 . 4.200 3.360 2.569 3.833 . 0 0 "[ . 1 . 2]" 1
423 1 33 LEU H 1 33 LEU HB2 3.680 . 4.050 2.422 2.299 2.647 . 0 0 "[ . 1 . 2]" 1
424 1 33 LEU H 1 33 LEU QB 2.930 . 3.220 2.298 2.193 2.386 . 0 0 "[ . 1 . 2]" 1
425 1 33 LEU H 1 33 LEU HB3 3.680 . 4.050 3.189 2.420 3.623 . 0 0 "[ . 1 . 2]" 1
426 1 33 LEU H 1 33 LEU MD1 4.300 . 4.730 3.989 3.722 4.380 . 0 0 "[ . 1 . 2]" 1
427 1 33 LEU H 1 33 LEU QD 3.780 . 4.160 3.454 2.389 3.842 . 0 0 "[ . 1 . 2]" 1
428 1 33 LEU H 1 33 LEU MD2 4.300 . 4.730 3.830 2.411 4.383 . 0 0 "[ . 1 . 2]" 1
429 1 33 LEU H 1 33 LEU HG 4.230 . 4.650 3.498 2.573 4.597 . 0 0 "[ . 1 . 2]" 1
430 1 33 LEU H 1 34 ARG H 4.640 . 5.100 4.388 4.309 4.517 . 0 0 "[ . 1 . 2]" 1
431 1 33 LEU H 1 34 ARG QD 4.590 . 5.050 4.564 3.800 5.358 0.308 16 0 "[ . 1 . 2]" 1
432 1 33 LEU HA 1 33 LEU MD1 4.050 . 4.460 3.275 1.987 3.916 . 0 0 "[ . 1 . 2]" 1
433 1 33 LEU HA 1 33 LEU QD 3.080 . 3.390 2.057 1.918 2.704 . 0 0 "[ . 1 . 2]" 1
434 1 33 LEU HA 1 33 LEU MD2 4.050 . 4.460 2.555 1.923 3.967 . 0 0 "[ . 1 . 2]" 1
435 1 33 LEU HA 1 34 ARG H 2.700 . 2.970 2.134 2.078 2.181 . 0 0 "[ . 1 . 2]" 1
436 1 33 LEU HA 1 34 ARG HA 4.520 . 4.970 4.446 4.397 4.485 . 0 0 "[ . 1 . 2]" 1
437 1 33 LEU HA 1 35 LEU H 5.500 . 6.050 5.561 4.370 6.278 0.228 15 0 "[ . 1 . 2]" 1
438 1 33 LEU QB 1 33 LEU QD 2.650 . 2.920 2.014 1.982 2.109 . 0 0 "[ . 1 . 2]" 1
439 1 33 LEU QB 1 34 ARG H 3.700 . 4.070 3.669 3.416 3.965 . 0 0 "[ . 1 . 2]" 1
440 1 33 LEU QD 1 34 ARG H 3.720 . 4.090 3.147 2.400 3.596 . 0 0 "[ . 1 . 2]" 1
441 1 33 LEU MD1 1 34 ARG H 4.860 . 5.350 4.320 2.408 5.364 0.014 17 0 "[ . 1 . 2]" 1
442 1 33 LEU MD2 1 34 ARG H 4.860 . 5.350 3.813 2.769 5.053 . 0 0 "[ . 1 . 2]" 1
443 1 34 ARG H 1 34 ARG HB2 3.100 . 3.410 2.511 2.319 2.784 . 0 0 "[ . 1 . 2]" 1
444 1 34 ARG H 1 34 ARG HB3 4.050 . 4.460 3.653 3.378 3.851 . 0 0 "[ . 1 . 2]" 1
445 1 34 ARG H 1 34 ARG QD 4.480 . 4.930 3.073 2.182 4.151 . 0 0 "[ . 1 . 2]" 1
446 1 34 ARG H 1 34 ARG QG 4.330 . 4.760 3.436 2.356 4.097 . 0 0 "[ . 1 . 2]" 1
447 1 34 ARG H 1 35 LEU H 4.180 . 4.600 4.221 3.550 4.581 . 0 0 "[ . 1 . 2]" 1
448 1 34 ARG HA 1 34 ARG HD2 4.600 . 5.060 3.355 2.195 4.719 . 0 0 "[ . 1 . 2]" 1
449 1 34 ARG HA 1 34 ARG QD 4.010 . 4.410 2.695 2.120 3.507 . 0 0 "[ . 1 . 2]" 1
450 1 34 ARG HA 1 34 ARG HD3 4.600 . 5.060 3.293 2.134 4.295 . 0 0 "[ . 1 . 2]" 1
451 1 34 ARG HA 1 34 ARG QG 3.670 . 4.040 2.685 2.389 3.232 . 0 0 "[ . 1 . 2]" 1
452 1 34 ARG HA 1 35 LEU H 2.860 . 3.150 2.257 2.092 2.538 . 0 0 "[ . 1 . 2]" 1
453 1 34 ARG HA 1 35 LEU HB3 5.120 . 5.630 4.769 4.486 5.081 . 0 0 "[ . 1 . 2]" 1
454 1 34 ARG HA 1 35 LEU HG 3.780 . 4.160 3.933 3.674 4.169 0.009 19 0 "[ . 1 . 2]" 1
455 1 34 ARG HB2 1 35 LEU H 5.500 . 6.050 4.271 3.394 4.651 . 0 0 "[ . 1 . 2]" 1
456 1 34 ARG HB2 1 37 MET ME 5.500 . 6.050 4.539 3.214 5.986 . 0 0 "[ . 1 . 2]" 1
457 1 34 ARG HB3 1 35 LEU H 4.100 . 4.510 3.453 2.005 4.306 . 0 0 "[ . 1 . 2]" 1
458 1 34 ARG QG 1 35 LEU H 5.110 . 5.620 4.272 3.314 4.987 . 0 0 "[ . 1 . 2]" 1
459 1 35 LEU H 1 35 LEU HB2 3.840 . 4.220 3.637 3.580 3.798 . 0 0 "[ . 1 . 2]" 1
460 1 35 LEU H 1 35 LEU HB3 2.920 . 3.210 2.807 2.496 3.272 0.062 12 0 "[ . 1 . 2]" 1
461 1 35 LEU H 1 35 LEU MD1 4.350 . 4.790 3.315 2.939 3.854 . 0 0 "[ . 1 . 2]" 1
462 1 35 LEU H 1 35 LEU MD2 4.550 . 5.010 3.380 3.020 3.698 . 0 0 "[ . 1 . 2]" 1
463 1 35 LEU H 1 35 LEU HG 3.340 . 3.670 2.032 1.869 2.391 . 0 0 "[ . 1 . 2]" 1
464 1 35 LEU HA 1 35 LEU MD1 3.790 . 4.170 3.779 3.735 3.804 . 0 0 "[ . 1 . 2]" 1
465 1 35 LEU HA 1 35 LEU MD2 4.090 . 4.500 4.142 4.122 4.164 . 0 0 "[ . 1 . 2]" 1
466 1 35 LEU HA 1 35 LEU HG 4.230 . 4.650 3.766 3.731 3.798 . 0 0 "[ . 1 . 2]" 1
467 1 35 LEU HA 1 36 PRO HD2 3.090 . 3.400 2.657 2.234 3.032 . 0 0 "[ . 1 . 2]" 1
468 1 35 LEU HA 1 36 PRO HD3 2.950 . 3.250 2.290 1.960 2.722 . 0 0 "[ . 1 . 2]" 1
469 1 35 LEU HA 1 36 PRO HG2 4.930 . 5.420 4.638 4.431 4.796 . 0 0 "[ . 1 . 2]" 1
470 1 35 LEU HA 1 36 PRO QG 4.250 . 4.680 4.026 3.839 4.166 . 0 0 "[ . 1 . 2]" 1
471 1 35 LEU HA 1 36 PRO HG3 4.930 . 5.420 4.440 4.145 4.707 . 0 0 "[ . 1 . 2]" 1
472 1 35 LEU HB2 1 35 LEU MD1 3.380 . 3.720 2.367 2.289 2.457 . 0 0 "[ . 1 . 2]" 1
473 1 35 LEU HB2 1 35 LEU MD2 3.370 . 3.710 2.639 2.502 2.791 . 0 0 "[ . 1 . 2]" 1
474 1 35 LEU HB2 1 36 PRO HA 5.090 . 5.600 5.085 4.927 5.248 . 0 0 "[ . 1 . 2]" 1
475 1 35 LEU HB2 1 36 PRO HD2 3.570 . 3.930 2.494 2.199 2.951 . 0 0 "[ . 1 . 2]" 1
476 1 35 LEU HB2 1 36 PRO HD3 4.270 . 4.700 3.592 3.100 4.117 . 0 0 "[ . 1 . 2]" 1
477 1 35 LEU HB2 1 37 MET ME 5.500 . 6.050 5.432 4.803 6.079 0.029 4 0 "[ . 1 . 2]" 1
478 1 35 LEU HB3 1 35 LEU MD2 3.420 . 3.760 2.259 2.229 2.302 . 0 0 "[ . 1 . 2]" 1
479 1 35 LEU HB3 1 36 PRO HD2 4.170 . 4.590 3.668 3.341 4.150 . 0 0 "[ . 1 . 2]" 1
480 1 35 LEU HB3 1 36 PRO HD3 4.790 . 5.270 4.243 3.894 4.678 . 0 0 "[ . 1 . 2]" 1
481 1 35 LEU MD1 1 36 PRO HA 4.660 . 5.130 4.223 4.010 4.505 . 0 0 "[ . 1 . 2]" 1
482 1 35 LEU MD1 1 36 PRO HD2 3.710 . 4.080 3.858 3.287 4.169 0.089 11 0 "[ . 1 . 2]" 1
483 1 35 LEU MD1 1 36 PRO HD3 4.730 . 5.200 4.681 4.222 4.981 . 0 0 "[ . 1 . 2]" 1
484 1 35 LEU MD1 1 37 MET HA 4.830 . 5.310 3.084 2.408 4.043 . 0 0 "[ . 1 . 2]" 1
485 1 35 LEU MD1 1 37 MET ME 4.190 . 4.610 3.188 2.185 4.276 . 0 0 "[ . 1 . 2]" 1
486 1 35 LEU MD2 1 36 PRO HD2 4.590 . 5.050 4.693 4.304 5.179 0.129 19 0 "[ . 1 . 2]" 1
487 1 35 LEU MD2 1 36 PRO HD3 5.500 . 6.050 5.564 5.242 5.946 . 0 0 "[ . 1 . 2]" 1
488 1 35 LEU HG 1 37 MET ME 4.990 . 5.490 4.183 2.889 5.572 0.082 12 0 "[ . 1 . 2]" 1
489 1 36 PRO HA 1 37 MET H 3.250 . 3.580 2.283 2.137 3.081 . 0 0 "[ . 1 . 2]" 1
490 1 36 PRO HA 1 37 MET ME 4.460 . 4.910 4.111 2.829 4.831 . 0 0 "[ . 1 . 2]" 1
491 1 36 PRO QB 1 37 MET H 4.070 . 4.480 3.481 2.311 4.068 . 0 0 "[ . 1 . 2]" 1
492 1 36 PRO HB2 1 37 MET H 4.650 . 5.120 3.926 2.354 4.459 . 0 0 "[ . 1 . 2]" 1
493 1 36 PRO HB3 1 37 MET H 4.650 . 5.120 3.977 3.119 4.694 . 0 0 "[ . 1 . 2]" 1
494 1 36 PRO HD3 1 37 MET ME 5.500 . 6.050 5.985 5.402 6.283 0.233 17 0 "[ . 1 . 2]" 1
495 1 37 MET H 1 37 MET QB 3.440 . 3.780 2.543 2.259 3.364 . 0 0 "[ . 1 . 2]" 1
496 1 37 MET H 1 37 MET QG 4.660 . 5.130 2.792 2.037 3.571 . 0 0 "[ . 1 . 2]" 1
497 1 37 MET HA 1 37 MET ME 3.830 . 4.210 3.809 1.854 4.362 0.152 6 0 "[ . 1 . 2]" 1
498 1 37 MET QB 1 38 ASN H 4.340 . 4.770 3.547 2.347 3.929 . 0 0 "[ . 1 . 2]" 1
499 1 37 MET HB2 1 38 ASN H 5.090 . 5.600 4.268 2.371 4.597 . 0 0 "[ . 1 . 2]" 1
500 1 37 MET HB3 1 38 ASN H 5.090 . 5.600 3.894 2.651 4.485 . 0 0 "[ . 1 . 2]" 1
501 1 38 ASN HA 1 39 PRO HD2 3.050 . 3.360 2.575 2.135 2.999 . 0 0 "[ . 1 . 2]" 1
502 1 38 ASN HA 1 39 PRO HD3 3.050 . 3.360 2.297 2.037 2.835 . 0 0 "[ . 1 . 2]" 1
503 1 38 ASN HA 1 39 PRO HG2 5.350 . 5.890 4.580 4.360 4.726 . 0 0 "[ . 1 . 2]" 1
504 1 38 ASN HA 1 39 PRO QG 4.700 . 5.170 3.999 3.893 4.154 . 0 0 "[ . 1 . 2]" 1
505 1 38 ASN HA 1 39 PRO HG3 5.350 . 5.890 4.429 4.211 4.789 . 0 0 "[ . 1 . 2]" 1
506 1 38 ASN QB 1 39 PRO QD 3.540 . 3.890 2.786 2.150 3.798 . 0 0 "[ . 1 . 2]" 1
507 1 38 ASN HB2 1 39 PRO HD2 4.720 . 5.190 3.579 2.357 4.789 . 0 0 "[ . 1 . 2]" 1
508 1 38 ASN HB2 1 39 PRO HD3 4.720 . 5.190 4.308 3.155 5.205 0.015 18 0 "[ . 1 . 2]" 1
509 1 38 ASN HB3 1 39 PRO HD2 4.720 . 5.190 3.624 2.180 4.934 . 0 0 "[ . 1 . 2]" 1
510 1 38 ASN HB3 1 39 PRO HD3 4.720 . 5.190 4.297 3.541 5.204 0.014 10 0 "[ . 1 . 2]" 1
511 1 39 PRO HA 1 40 ARG H 3.200 . 3.520 2.350 2.157 3.579 0.059 7 0 "[ . 1 . 2]" 1
512 1 40 ARG H 1 40 ARG QB 3.340 . 3.670 2.516 2.248 3.425 . 0 0 "[ . 1 . 2]" 1
513 1 40 ARG HA 1 40 ARG HD2 5.500 . 6.050 3.712 2.093 5.612 . 0 0 "[ . 1 . 2]" 1
514 1 40 ARG HA 1 40 ARG QD 4.820 . 5.300 3.260 2.045 4.622 . 0 0 "[ . 1 . 2]" 1
515 1 40 ARG HA 1 40 ARG HD3 5.500 . 6.050 4.015 2.080 5.476 . 0 0 "[ . 1 . 2]" 1
516 1 40 ARG QB 1 40 ARG QD 3.330 . 3.660 2.451 2.160 2.907 . 0 0 "[ . 1 . 2]" 1
517 1 42 ARG HA 1 42 ARG QD 4.220 . 4.640 3.009 2.007 4.612 . 0 0 "[ . 1 . 2]" 1
518 1 42 ARG HA 1 42 ARG QG 3.710 . 4.080 2.992 2.436 3.417 . 0 0 "[ . 1 . 2]" 1
519 1 42 ARG QB 1 42 ARG QD 3.330 . 3.660 2.452 2.157 2.878 . 0 0 "[ . 1 . 2]" 1
520 1 44 HIS QB 1 45 PRO QD 3.930 . 4.320 2.990 2.067 3.932 . 0 0 "[ . 1 . 2]" 1
521 1 44 HIS HB2 1 45 PRO HD2 5.500 . 6.050 3.403 2.100 4.892 . 0 0 "[ . 1 . 2]" 1
522 1 44 HIS HB2 1 45 PRO HD3 5.500 . 6.050 4.019 3.018 4.957 . 0 0 "[ . 1 . 2]" 1
523 1 44 HIS HB3 1 45 PRO HD2 5.500 . 6.050 4.322 3.566 5.128 . 0 0 "[ . 1 . 2]" 1
524 1 44 HIS HB3 1 45 PRO HD3 5.500 . 6.050 4.626 3.941 5.160 . 0 0 "[ . 1 . 2]" 1
525 1 44 HIS HE1 1 46 LYS QB 4.020 . 4.420 3.181 2.211 4.493 0.073 5 0 "[ . 1 . 2]" 1
526 1 46 LYS HA 1 46 LYS HE2 5.500 . 6.050 5.080 4.337 6.237 0.187 14 0 "[ . 1 . 2]" 1
527 1 46 LYS HA 1 46 LYS HE3 5.500 . 6.050 4.924 3.352 6.093 0.043 10 0 "[ . 1 . 2]" 1
528 1 46 LYS HA 1 46 LYS HG2 3.950 . 4.350 3.266 2.363 3.963 . 0 0 "[ . 1 . 2]" 1
529 1 46 LYS HA 1 46 LYS QG 3.420 . 3.760 2.807 2.332 3.407 . 0 0 "[ . 1 . 2]" 1
530 1 46 LYS HA 1 46 LYS HG3 3.950 . 4.350 3.203 2.579 3.895 . 0 0 "[ . 1 . 2]" 1
531 1 46 LYS HA 1 49 THR MG 4.970 . 5.470 4.208 1.799 5.420 0.001 4 0 "[ . 1 . 2]" 1
532 1 46 LYS QB 1 49 THR HA 5.050 . 5.560 4.565 2.721 5.707 0.147 4 0 "[ . 1 . 2]" 1
533 1 46 LYS QB 1 49 THR MG 3.610 . 3.970 2.702 1.739 4.055 0.085 19 0 "[ . 1 . 2]" 1
534 1 46 LYS HB2 1 47 TYR H 5.270 . 5.800 4.202 3.700 4.675 . 0 0 "[ . 1 . 2]" 1
535 1 46 LYS HB3 1 47 TYR H 5.270 . 5.800 4.194 2.561 4.532 . 0 0 "[ . 1 . 2]" 1
536 1 46 LYS HE2 1 49 THR MG 5.500 . 6.050 4.089 1.787 6.172 0.122 20 0 "[ . 1 . 2]" 1
537 1 46 LYS HE3 1 49 THR MG 5.500 . 6.050 4.289 2.357 5.653 . 0 0 "[ . 1 . 2]" 1
538 1 47 TYR H 1 47 TYR QB 3.680 . 4.050 2.448 2.212 3.196 . 0 0 "[ . 1 . 2]" 1
539 1 47 TYR H 1 47 TYR QD 4.510 . 4.960 3.153 1.773 4.308 0.027 14 0 "[ . 1 . 2]" 1
540 1 47 TYR H 1 49 THR MG 4.830 . 5.310 4.496 3.070 5.156 . 0 0 "[ . 1 . 2]" 1
541 1 47 TYR HA 1 47 TYR QD 3.870 . 4.260 3.219 2.190 3.827 . 0 0 "[ . 1 . 2]" 1
542 1 47 TYR HB2 1 48 LYS H 4.350 . 4.790 3.828 3.624 4.139 . 0 0 "[ . 1 . 2]" 1
543 1 47 TYR HB3 1 48 LYS H 4.350 . 4.790 3.205 2.124 4.123 . 0 0 "[ . 1 . 2]" 1
544 1 47 TYR QD 1 48 LYS H 4.660 . 5.130 3.219 2.404 3.707 . 0 0 "[ . 1 . 2]" 1
545 1 47 TYR QD 1 48 LYS HG2 5.500 . 6.050 4.219 2.229 6.148 0.098 12 0 "[ . 1 . 2]" 1
546 1 47 TYR QD 1 48 LYS QG 4.650 . 5.120 3.397 2.091 5.150 0.030 12 0 "[ . 1 . 2]" 1
547 1 47 TYR QD 1 48 LYS HG3 5.500 . 6.050 3.821 2.102 5.581 . 0 0 "[ . 1 . 2]" 1
548 1 47 TYR QD 1 49 THR MG 5.020 . 5.520 5.187 4.755 5.573 0.053 7 0 "[ . 1 . 2]" 1
549 1 47 TYR QD 1 68 GLN HA 4.170 . 4.590 3.257 2.234 4.634 0.044 5 0 "[ . 1 . 2]" 1
550 1 47 TYR QD 1 68 GLN QB 4.710 . 5.180 3.066 1.805 4.440 . 0 0 "[ . 1 . 2]" 1
551 1 47 TYR QE 1 48 LYS HE2 5.060 . 5.570 4.137 2.144 5.607 0.037 9 0 "[ . 1 . 2]" 1
552 1 47 TYR QE 1 48 LYS QE 4.320 . 4.750 3.251 1.978 4.831 0.081 8 0 "[ . 1 . 2]" 1
553 1 47 TYR QE 1 48 LYS HE3 5.060 . 5.570 3.777 1.987 5.789 0.219 5 0 "[ . 1 . 2]" 1
554 1 47 TYR QE 1 48 LYS HG2 5.500 . 6.050 4.804 3.606 6.023 . 0 0 "[ . 1 . 2]" 1
555 1 47 TYR QE 1 48 LYS QG 4.700 . 5.170 4.026 2.741 5.122 . 0 0 "[ . 1 . 2]" 1
556 1 47 TYR QE 1 48 LYS HG3 5.500 . 6.050 4.570 2.772 6.082 0.032 2 0 "[ . 1 . 2]" 1
557 1 47 TYR QE 1 49 THR MG 5.500 . 6.050 6.080 5.776 6.293 0.243 15 0 "[ . 1 . 2]" 1
558 1 47 TYR QE 1 68 GLN HA 3.950 . 4.350 3.179 2.053 4.472 0.122 13 0 "[ . 1 . 2]" 1
559 1 47 TYR QE 1 68 GLN QB 4.270 . 4.700 3.383 2.127 4.707 0.007 4 0 "[ . 1 . 2]" 1
560 1 48 LYS H 1 48 LYS QB 3.550 . 3.900 2.427 2.239 2.572 . 0 0 "[ . 1 . 2]" 1
561 1 48 LYS H 1 48 LYS QD 5.210 . 5.730 4.128 2.096 5.100 . 0 0 "[ . 1 . 2]" 1
562 1 48 LYS H 1 48 LYS QG 4.660 . 5.130 3.183 2.093 4.184 . 0 0 "[ . 1 . 2]" 1
563 1 48 LYS H 1 49 THR MG 4.820 . 5.300 3.996 3.309 4.804 . 0 0 "[ . 1 . 2]" 1
564 1 48 LYS H 1 70 ILE HG12 5.500 . 6.050 5.543 4.764 6.133 0.083 13 0 "[ . 1 . 2]" 1
565 1 48 LYS H 1 70 ILE HG13 5.500 . 6.050 5.665 5.253 6.065 0.015 5 0 "[ . 1 . 2]" 1
566 1 48 LYS HA 1 48 LYS HD2 5.080 . 5.590 4.273 2.567 4.809 . 0 0 "[ . 1 . 2]" 1
567 1 48 LYS HA 1 48 LYS QD 4.390 . 4.830 3.689 2.039 4.314 . 0 0 "[ . 1 . 2]" 1
568 1 48 LYS HA 1 48 LYS HD3 5.080 . 5.590 4.156 2.065 4.930 . 0 0 "[ . 1 . 2]" 1
569 1 48 LYS HA 1 50 VAL H 4.740 . 5.210 3.829 2.931 4.552 . 0 0 "[ . 1 . 2]" 1
570 1 48 LYS HA 1 70 ILE HG12 4.920 . 5.410 3.984 3.063 4.765 . 0 0 "[ . 1 . 2]" 1
571 1 48 LYS HA 1 70 ILE HG13 4.920 . 5.410 3.502 2.461 4.315 . 0 0 "[ . 1 . 2]" 1
572 1 48 LYS QB 1 48 LYS QD 2.860 . 3.150 2.312 2.172 2.424 . 0 0 "[ . 1 . 2]" 1
573 1 48 LYS QB 1 48 LYS QE 4.360 . 4.800 3.220 1.983 3.931 . 0 0 "[ . 1 . 2]" 1
574 1 48 LYS QB 1 50 VAL H 5.340 . 5.870 5.123 4.635 5.791 . 0 0 "[ . 1 . 2]" 1
575 1 48 LYS QB 1 70 ILE QG 3.840 . 4.220 2.717 1.736 4.194 0.064 6 0 "[ . 1 . 2]" 1
576 1 48 LYS HB2 1 49 THR H 5.500 . 6.050 4.509 4.368 4.666 . 0 0 "[ . 1 . 2]" 1
577 1 48 LYS HB3 1 49 THR H 5.500 . 6.050 4.136 3.616 4.508 . 0 0 "[ . 1 . 2]" 1
578 1 48 LYS QD 1 70 ILE HA 4.140 . 4.550 3.373 2.144 4.615 0.065 16 0 "[ . 1 . 2]" 1
579 1 48 LYS HE2 1 68 GLN HA 5.500 . 6.050 4.114 2.110 6.155 0.105 16 0 "[ . 1 . 2]" 1
580 1 48 LYS HE3 1 68 GLN HA 5.500 . 6.050 4.123 3.099 6.107 0.057 1 0 "[ . 1 . 2]" 1
581 1 49 THR H 1 49 THR MG 4.490 . 4.940 2.784 1.963 3.253 . 0 0 "[ . 1 . 2]" 1
582 1 49 THR H 1 50 VAL H 3.700 . 4.070 2.087 1.732 2.647 0.068 5 0 "[ . 1 . 2]" 1
583 1 49 THR HA 1 49 THR MG 3.010 . 3.310 2.505 2.308 3.268 . 0 0 "[ . 1 . 2]" 1
584 1 49 THR HA 1 50 VAL H 3.540 . 3.890 3.509 3.281 3.591 . 0 0 "[ . 1 . 2]" 1
585 1 49 THR HA 1 50 VAL MG2 4.980 . 5.480 4.636 4.075 4.861 . 0 0 "[ . 1 . 2]" 1
586 1 49 THR HA 1 70 ILE MD 3.560 . 3.920 2.739 1.875 3.688 . 0 0 "[ . 1 . 2]" 1
587 1 49 THR HA 1 70 ILE QG 5.210 . 5.730 3.796 3.106 4.691 . 0 0 "[ . 1 . 2]" 1
588 1 49 THR HB 1 50 VAL H 4.680 . 5.150 3.722 3.051 4.278 . 0 0 "[ . 1 . 2]" 1
589 1 49 THR HB 1 50 VAL MG2 4.500 . 4.950 3.720 2.465 4.705 . 0 0 "[ . 1 . 2]" 1
590 1 49 THR HB 1 70 ILE MD 5.100 . 5.610 4.716 3.966 5.593 . 0 0 "[ . 1 . 2]" 1
591 1 49 THR MG 1 50 VAL H 4.350 . 4.790 3.731 2.022 4.366 . 0 0 "[ . 1 . 2]" 1
592 1 49 THR MG 1 70 ILE MD 4.370 . 4.810 4.333 3.338 4.934 0.124 6 0 "[ . 1 . 2]" 1
593 1 50 VAL H 1 50 VAL HB 3.350 . 3.690 2.579 2.506 2.698 . 0 0 "[ . 1 . 2]" 1
594 1 50 VAL H 1 50 VAL MG2 3.310 . 3.640 2.350 2.079 2.851 . 0 0 "[ . 1 . 2]" 1
595 1 50 VAL H 1 51 LEU H 4.570 . 5.030 4.566 4.416 4.637 . 0 0 "[ . 1 . 2]" 1
596 1 50 VAL H 1 51 LEU MD2 5.160 . 5.680 5.503 5.079 5.743 0.063 13 0 "[ . 1 . 2]" 1
597 1 50 VAL H 1 69 PHE QD 4.510 . 4.960 3.247 2.268 3.934 . 0 0 "[ . 1 . 2]" 1
598 1 50 VAL H 1 70 ILE HB 5.500 . 6.050 5.652 4.689 6.066 0.016 11 0 "[ . 1 . 2]" 1
599 1 50 VAL H 1 70 ILE MD 4.440 . 4.880 4.099 3.258 4.447 . 0 0 "[ . 1 . 2]" 1
600 1 50 VAL H 1 70 ILE QG 4.430 . 4.870 3.796 2.989 4.211 . 0 0 "[ . 1 . 2]" 1
601 1 50 VAL HA 1 50 VAL MG1 3.460 . 3.810 2.460 2.381 2.503 . 0 0 "[ . 1 . 2]" 1
602 1 50 VAL HA 1 50 VAL MG2 3.290 . 3.620 2.509 2.460 2.611 . 0 0 "[ . 1 . 2]" 1
603 1 50 VAL HA 1 51 LEU H 3.100 . 3.410 2.297 2.190 2.422 . 0 0 "[ . 1 . 2]" 1
604 1 50 VAL HA 1 51 LEU HG 4.380 . 4.820 3.939 3.786 4.081 . 0 0 "[ . 1 . 2]" 1
605 1 50 VAL HA 1 70 ILE MD 4.330 . 4.760 4.046 3.431 4.767 0.007 5 0 "[ . 1 . 2]" 1
606 1 50 VAL HA 1 70 ILE QG 5.330 . 5.860 4.643 4.030 5.188 . 0 0 "[ . 1 . 2]" 1
607 1 50 VAL HB 1 51 LEU H 4.330 . 4.760 3.924 3.619 4.165 . 0 0 "[ . 1 . 2]" 1
608 1 50 VAL HB 1 69 PHE QD 3.710 . 4.080 2.216 1.812 2.905 . 0 0 "[ . 1 . 2]" 1
609 1 50 VAL MG1 1 51 LEU H 3.570 . 3.930 2.347 2.069 2.665 . 0 0 "[ . 1 . 2]" 1
610 1 50 VAL MG1 1 51 LEU QB 4.880 . 5.370 3.556 3.327 3.843 . 0 0 "[ . 1 . 2]" 1
611 1 50 VAL MG1 1 51 LEU HG 5.450 . 6.000 4.201 3.751 4.560 . 0 0 "[ . 1 . 2]" 1
612 1 50 VAL MG1 1 52 CYS H 5.500 . 6.050 5.013 4.731 5.193 . 0 0 "[ . 1 . 2]" 1
613 1 50 VAL MG1 1 69 PHE QD 3.930 . 4.320 3.280 2.558 4.101 . 0 0 "[ . 1 . 2]" 1
614 1 50 VAL MG2 1 51 LEU H 4.350 . 4.790 4.065 3.986 4.112 . 0 0 "[ . 1 . 2]" 1
615 1 50 VAL MG2 1 51 LEU HG 5.500 . 6.050 5.689 5.482 5.824 . 0 0 "[ . 1 . 2]" 1
616 1 50 VAL MG2 1 69 PHE QD 4.480 . 4.930 3.690 3.293 4.168 . 0 0 "[ . 1 . 2]" 1
617 1 51 LEU H 1 51 LEU HB2 3.830 . 4.210 2.541 2.457 2.641 . 0 0 "[ . 1 . 2]" 1
618 1 51 LEU H 1 51 LEU QB 3.350 . 3.690 2.494 2.419 2.581 . 0 0 "[ . 1 . 2]" 1
619 1 51 LEU H 1 51 LEU HB3 3.830 . 4.210 3.628 3.616 3.651 . 0 0 "[ . 1 . 2]" 1
620 1 51 LEU H 1 51 LEU MD1 4.520 . 4.970 3.747 3.669 3.822 . 0 0 "[ . 1 . 2]" 1
621 1 51 LEU H 1 51 LEU MD2 4.470 . 4.920 3.214 2.942 3.428 . 0 0 "[ . 1 . 2]" 1
622 1 51 LEU H 1 51 LEU HG 3.220 . 3.540 2.338 2.222 2.474 . 0 0 "[ . 1 . 2]" 1
623 1 51 LEU H 1 52 CYS H 4.890 . 5.380 4.634 4.587 4.673 . 0 0 "[ . 1 . 2]" 1
624 1 51 LEU HA 1 51 LEU MD1 4.040 . 4.440 3.927 3.897 3.955 . 0 0 "[ . 1 . 2]" 1
625 1 51 LEU HA 1 51 LEU MD2 3.210 . 3.530 2.122 2.053 2.193 . 0 0 "[ . 1 . 2]" 1
626 1 51 LEU HA 1 52 CYS H 3.080 . 3.390 2.319 2.228 2.396 . 0 0 "[ . 1 . 2]" 1
627 1 51 LEU HA 1 52 CYS HA 4.970 . 5.470 4.373 4.313 4.442 . 0 0 "[ . 1 . 2]" 1
628 1 51 LEU HA 1 52 CYS HB2 5.110 . 5.620 4.359 4.225 4.635 . 0 0 "[ . 1 . 2]" 1
629 1 51 LEU HA 1 69 PHE QB 4.560 . 5.020 3.544 3.248 3.907 . 0 0 "[ . 1 . 2]" 1
630 1 51 LEU HA 1 70 ILE H 3.870 . 4.260 2.962 2.677 3.324 . 0 0 "[ . 1 . 2]" 1
631 1 51 LEU HA 1 70 ILE HB 3.120 . 3.430 2.232 1.950 2.881 . 0 0 "[ . 1 . 2]" 1
632 1 51 LEU HA 1 70 ILE MD 4.650 . 5.120 3.627 3.170 4.303 . 0 0 "[ . 1 . 2]" 1
633 1 51 LEU HA 1 70 ILE HG12 5.500 . 6.050 4.931 4.551 5.453 . 0 0 "[ . 1 . 2]" 1
634 1 51 LEU HA 1 70 ILE QG 4.750 . 5.220 3.597 3.205 4.012 . 0 0 "[ . 1 . 2]" 1
635 1 51 LEU HA 1 70 ILE HG13 5.500 . 6.050 3.697 3.276 4.135 . 0 0 "[ . 1 . 2]" 1
636 1 51 LEU HA 1 70 ILE MG 3.940 . 4.330 3.818 3.649 4.352 0.022 5 0 "[ . 1 . 2]" 1
637 1 51 LEU QB 1 51 LEU MD1 2.980 . 3.280 2.152 2.141 2.165 . 0 0 "[ . 1 . 2]" 1
638 1 51 LEU QB 1 52 CYS H 3.630 . 3.990 2.625 2.428 2.988 . 0 0 "[ . 1 . 2]" 1
639 1 51 LEU HB2 1 51 LEU MD1 3.460 . 3.810 2.410 2.381 2.457 . 0 0 "[ . 1 . 2]" 1
640 1 51 LEU HB2 1 52 CYS H 4.210 . 4.630 3.768 3.599 4.019 . 0 0 "[ . 1 . 2]" 1
641 1 51 LEU HB3 1 51 LEU MD1 3.460 . 3.810 2.423 2.389 2.461 . 0 0 "[ . 1 . 2]" 1
642 1 51 LEU HB3 1 52 CYS H 4.210 . 4.630 2.680 2.467 3.081 . 0 0 "[ . 1 . 2]" 1
643 1 51 LEU MD1 1 52 CYS H 4.950 . 5.440 4.638 4.436 4.974 . 0 0 "[ . 1 . 2]" 1
644 1 51 LEU MD1 1 72 LYS H 5.010 . 5.510 4.997 4.184 5.542 0.032 11 0 "[ . 1 . 2]" 1
645 1 51 LEU MD1 1 72 LYS QG 4.460 . 4.910 3.725 2.457 4.690 . 0 0 "[ . 1 . 2]" 1
646 1 51 LEU MD2 1 52 CYS H 4.420 . 4.860 3.600 3.461 3.787 . 0 0 "[ . 1 . 2]" 1
647 1 51 LEU MD2 1 70 ILE H 4.840 . 5.320 3.946 3.714 4.319 . 0 0 "[ . 1 . 2]" 1
648 1 51 LEU MD2 1 70 ILE HB 3.950 . 4.350 2.035 1.850 2.547 . 0 0 "[ . 1 . 2]" 1
649 1 51 LEU MD2 1 72 LYS H 4.510 . 4.960 3.753 3.011 4.401 . 0 0 "[ . 1 . 2]" 1
650 1 51 LEU MD2 1 72 LYS HB2 4.230 . 4.650 3.040 1.844 4.752 0.102 20 0 "[ . 1 . 2]" 1
651 1 51 LEU MD2 1 72 LYS HB3 4.230 . 4.650 3.613 2.156 4.686 0.036 10 0 "[ . 1 . 2]" 1
652 1 51 LEU MD2 1 72 LYS HE2 5.490 . 6.040 3.907 2.110 5.538 . 0 0 "[ . 1 . 2]" 1
653 1 51 LEU MD2 1 72 LYS QE 4.700 . 5.170 3.413 2.070 4.649 . 0 0 "[ . 1 . 2]" 1
654 1 51 LEU MD2 1 72 LYS HE3 5.490 . 6.040 4.037 2.125 5.541 . 0 0 "[ . 1 . 2]" 1
655 1 51 LEU MD2 1 72 LYS QG 3.860 . 4.250 2.773 2.001 4.196 . 0 0 "[ . 1 . 2]" 1
656 1 52 CYS H 1 52 CYS HB2 3.550 . 3.900 2.534 2.400 2.660 . 0 0 "[ . 1 . 2]" 1
657 1 52 CYS H 1 52 CYS HB3 3.650 . 4.020 2.541 2.386 2.621 . 0 0 "[ . 1 . 2]" 1
658 1 52 CYS H 1 69 PHE QB 4.000 . 4.400 3.213 3.093 3.407 . 0 0 "[ . 1 . 2]" 1
659 1 52 CYS H 1 70 ILE H 4.090 . 4.500 3.831 3.466 4.300 . 0 0 "[ . 1 . 2]" 1
660 1 52 CYS H 1 70 ILE HB 4.120 . 4.530 3.685 3.217 4.127 . 0 0 "[ . 1 . 2]" 1
661 1 52 CYS H 1 71 HIS HD2 4.420 . 4.860 3.941 3.574 4.267 . 0 0 "[ . 1 . 2]" 1
662 1 52 CYS H 1 72 LYS H 4.680 . 5.150 3.920 3.252 4.435 . 0 0 "[ . 1 . 2]" 1
663 1 52 CYS HA 1 53 ASP HA 5.340 . 5.870 4.431 4.377 4.467 . 0 0 "[ . 1 . 2]" 1
664 1 52 CYS HA 1 53 ASP QB 5.000 . 5.500 4.419 4.033 4.583 . 0 0 "[ . 1 . 2]" 1
665 1 52 CYS HA 1 54 LYS H 4.270 . 4.700 4.046 3.760 4.358 . 0 0 "[ . 1 . 2]" 1
666 1 52 CYS HA 1 69 PHE HB2 3.980 . 4.380 2.538 1.933 2.962 . 0 0 "[ . 1 . 2]" 1
667 1 52 CYS HA 1 69 PHE QB 3.420 . 3.760 2.188 1.896 2.520 . 0 0 "[ . 1 . 2]" 1
668 1 52 CYS HA 1 69 PHE HB3 3.980 . 4.380 2.471 2.153 2.895 . 0 0 "[ . 1 . 2]" 1
669 1 52 CYS HA 1 69 PHE QD 4.730 . 5.200 3.540 2.960 4.154 . 0 0 "[ . 1 . 2]" 1
670 1 52 CYS HB2 1 55 PHE HB2 4.180 . 4.600 4.034 3.766 4.323 . 0 0 "[ . 1 . 2]" 1
671 1 52 CYS HB2 1 69 PHE H 4.480 . 4.930 4.434 3.801 4.786 . 0 0 "[ . 1 . 2]" 1
672 1 52 CYS HB2 1 69 PHE QB 3.770 . 4.150 2.510 2.215 2.872 . 0 0 "[ . 1 . 2]" 1
673 1 52 CYS HB2 1 71 HIS HD2 3.590 . 3.950 2.030 1.780 2.284 0.020 18 0 "[ . 1 . 2]" 1
674 1 52 CYS HB3 1 55 PHE H 4.660 . 5.130 3.248 2.849 3.458 . 0 0 "[ . 1 . 2]" 1
675 1 52 CYS HB3 1 55 PHE HB2 4.350 . 4.790 2.839 2.436 3.233 . 0 0 "[ . 1 . 2]" 1
676 1 52 CYS HB3 1 56 SER H 4.560 . 5.020 4.053 3.794 4.290 . 0 0 "[ . 1 . 2]" 1
677 1 52 CYS HB3 1 71 HIS HA 4.760 . 5.240 3.053 2.690 3.611 . 0 0 "[ . 1 . 2]" 1
678 1 52 CYS HB3 1 71 HIS HD2 3.630 . 3.990 2.480 2.108 2.824 . 0 0 "[ . 1 . 2]" 1
679 1 53 ASP H 1 53 ASP QB 3.600 . 3.960 2.495 2.212 2.666 . 0 0 "[ . 1 . 2]" 1
680 1 53 ASP H 1 54 LYS H 3.880 . 4.270 2.677 2.522 2.844 . 0 0 "[ . 1 . 2]" 1
681 1 53 ASP HA 1 56 SER H 3.700 . 4.070 3.628 3.250 4.008 . 0 0 "[ . 1 . 2]" 1
682 1 53 ASP HA 1 56 SER QB 3.800 . 4.180 3.242 2.262 4.217 0.037 19 0 "[ . 1 . 2]" 1
683 1 53 ASP HA 1 57 MET ME 4.590 . 5.050 3.696 3.003 4.499 . 0 0 "[ . 1 . 2]" 1
684 1 53 ASP QB 1 54 LYS H 3.160 . 3.480 2.660 2.325 3.516 0.036 18 0 "[ . 1 . 2]" 1
685 1 53 ASP QB 1 54 LYS QG 5.180 . 5.700 3.446 2.786 4.407 . 0 0 "[ . 1 . 2]" 1
686 1 53 ASP QB 1 55 PHE H 4.890 . 5.380 4.786 4.490 5.306 . 0 0 "[ . 1 . 2]" 1
687 1 53 ASP QB 1 57 MET ME 4.400 . 4.840 2.348 1.826 3.903 . 0 0 "[ . 1 . 2]" 1
688 1 53 ASP HB2 1 57 MET ME 5.080 . 5.590 3.158 1.833 4.876 . 0 0 "[ . 1 . 2]" 1
689 1 53 ASP HB3 1 57 MET ME 5.080 . 5.590 2.708 2.000 4.183 . 0 0 "[ . 1 . 2]" 1
690 1 54 LYS H 1 54 LYS HB2 2.740 . 3.010 2.495 2.321 2.573 . 0 0 "[ . 1 . 2]" 1
691 1 54 LYS H 1 54 LYS HD2 5.500 . 6.050 4.350 3.402 4.981 . 0 0 "[ . 1 . 2]" 1
692 1 54 LYS H 1 54 LYS HD3 5.500 . 6.050 3.949 2.472 4.903 . 0 0 "[ . 1 . 2]" 1
693 1 54 LYS H 1 54 LYS HE2 5.500 . 6.050 4.743 2.123 5.633 . 0 0 "[ . 1 . 2]" 1
694 1 54 LYS H 1 54 LYS HE3 5.500 . 6.050 4.737 3.560 5.941 . 0 0 "[ . 1 . 2]" 1
695 1 54 LYS H 1 54 LYS QG 3.190 . 3.510 2.286 2.076 3.557 0.047 10 0 "[ . 1 . 2]" 1
696 1 54 LYS H 1 55 PHE H 3.320 . 3.650 2.684 2.575 2.815 . 0 0 "[ . 1 . 2]" 1
697 1 54 LYS H 1 55 PHE HB3 5.500 . 6.050 5.041 4.839 5.206 . 0 0 "[ . 1 . 2]" 1
698 1 54 LYS H 1 56 SER H 4.800 . 5.280 4.066 3.810 4.367 . 0 0 "[ . 1 . 2]" 1
699 1 54 LYS H 1 58 THR MG 5.500 . 6.050 5.885 5.435 6.113 0.063 1 0 "[ . 1 . 2]" 1
700 1 54 LYS HA 1 54 LYS HD2 5.020 . 5.520 3.221 2.113 4.745 . 0 0 "[ . 1 . 2]" 1
701 1 54 LYS HA 1 54 LYS QD 4.160 . 4.580 2.459 2.043 4.017 . 0 0 "[ . 1 . 2]" 1
702 1 54 LYS HA 1 54 LYS HD3 5.020 . 5.520 2.849 2.072 4.336 . 0 0 "[ . 1 . 2]" 1
703 1 54 LYS HA 1 54 LYS HE2 5.500 . 6.050 3.897 1.811 5.013 . 0 0 "[ . 1 . 2]" 1
704 1 54 LYS HA 1 54 LYS HE3 5.500 . 6.050 4.111 2.875 5.340 . 0 0 "[ . 1 . 2]" 1
705 1 54 LYS HA 1 57 MET H 4.610 . 5.070 3.623 3.079 4.100 . 0 0 "[ . 1 . 2]" 1
706 1 54 LYS HA 1 57 MET HB2 4.740 . 5.210 3.177 2.524 3.578 . 0 0 "[ . 1 . 2]" 1
707 1 54 LYS HA 1 57 MET QB 4.050 . 4.460 3.137 2.506 3.520 . 0 0 "[ . 1 . 2]" 1
708 1 54 LYS HA 1 57 MET HB3 4.740 . 5.210 4.867 4.236 5.223 0.013 18 0 "[ . 1 . 2]" 1
709 1 54 LYS HA 1 57 MET ME 3.320 . 3.650 2.691 2.134 3.626 . 0 0 "[ . 1 . 2]" 1
710 1 54 LYS HA 1 58 THR H 4.820 . 5.300 3.576 2.933 4.401 . 0 0 "[ . 1 . 2]" 1
711 1 54 LYS HA 1 58 THR MG 3.890 . 4.280 3.472 2.988 3.748 . 0 0 "[ . 1 . 2]" 1
712 1 54 LYS HB2 1 55 PHE H 3.690 . 4.060 2.676 2.341 3.105 . 0 0 "[ . 1 . 2]" 1
713 1 54 LYS HB2 1 61 CYS HA 4.820 . 5.300 2.990 2.077 4.096 . 0 0 "[ . 1 . 2]" 1
714 1 54 LYS HB2 1 61 CYS HB2 4.540 . 4.990 3.465 2.677 4.639 . 0 0 "[ . 1 . 2]" 1
715 1 54 LYS HB2 1 61 CYS HB3 5.500 . 6.050 4.922 4.276 6.071 0.021 8 0 "[ . 1 . 2]" 1
716 1 54 LYS HB3 1 61 CYS HA 5.310 . 5.840 2.984 2.266 4.003 . 0 0 "[ . 1 . 2]" 1
717 1 54 LYS QD 1 58 THR MG 3.920 . 4.310 3.837 2.953 4.426 0.116 5 0 "[ . 1 . 2]" 1
718 1 54 LYS QE 1 54 LYS QG 3.320 . 3.650 2.350 2.190 2.836 . 0 0 "[ . 1 . 2]" 1
719 1 54 LYS HE2 1 57 MET ME 5.430 . 5.970 3.882 2.229 5.195 . 0 0 "[ . 1 . 2]" 1
720 1 54 LYS HE2 1 58 THR MG 5.500 . 6.050 4.908 2.491 6.131 0.081 12 0 "[ . 1 . 2]" 1
721 1 54 LYS HE3 1 57 MET ME 5.430 . 5.970 4.011 2.792 5.380 . 0 0 "[ . 1 . 2]" 1
722 1 54 LYS HE3 1 58 THR MG 5.500 . 6.050 5.148 3.018 6.181 0.131 8 0 "[ . 1 . 2]" 1
723 1 55 PHE H 1 55 PHE HB2 3.680 . 4.050 2.469 2.385 2.533 . 0 0 "[ . 1 . 2]" 1
724 1 55 PHE H 1 55 PHE HB3 3.740 . 4.110 2.613 2.532 2.678 . 0 0 "[ . 1 . 2]" 1
725 1 55 PHE H 1 55 PHE QD 5.000 . 5.500 4.225 4.177 4.265 . 0 0 "[ . 1 . 2]" 1
726 1 55 PHE H 1 56 SER H 3.640 . 4.000 2.544 2.465 2.643 . 0 0 "[ . 1 . 2]" 1
727 1 55 PHE H 1 61 CYS HB2 4.500 . 4.950 3.379 2.931 4.021 . 0 0 "[ . 1 . 2]" 1
728 1 55 PHE HA 1 58 THR H 4.650 . 5.120 4.293 3.850 4.769 . 0 0 "[ . 1 . 2]" 1
729 1 55 PHE HA 1 59 GLY H 4.610 . 5.070 3.290 2.845 3.745 . 0 0 "[ . 1 . 2]" 1
730 1 55 PHE HA 1 60 ASN H 3.280 . 3.610 3.053 2.569 3.628 0.018 17 0 "[ . 1 . 2]" 1
731 1 55 PHE HA 1 61 CYS HB2 4.840 . 5.320 3.483 2.714 3.833 . 0 0 "[ . 1 . 2]" 1
732 1 55 PHE HA 1 61 CYS HB3 5.250 . 5.780 4.710 3.747 5.222 . 0 0 "[ . 1 . 2]" 1
733 1 55 PHE HB2 1 56 SER H 4.090 . 4.500 4.007 3.777 4.126 . 0 0 "[ . 1 . 2]" 1
734 1 55 PHE HB2 1 61 CYS HA 5.500 . 6.050 4.094 3.643 4.752 . 0 0 "[ . 1 . 2]" 1
735 1 55 PHE HB2 1 61 CYS HB2 3.680 . 4.050 2.081 1.823 2.629 . 0 0 "[ . 1 . 2]" 1
736 1 55 PHE HB2 1 71 HIS HA 5.500 . 6.050 4.167 3.697 4.714 . 0 0 "[ . 1 . 2]" 1
737 1 55 PHE HB2 1 71 HIS HD2 4.270 . 4.700 3.468 3.056 3.878 . 0 0 "[ . 1 . 2]" 1
738 1 55 PHE HB3 1 56 SER H 3.570 . 3.930 2.969 2.503 3.126 . 0 0 "[ . 1 . 2]" 1
739 1 55 PHE HB3 1 71 HIS HA 4.540 . 4.990 3.489 2.904 4.405 . 0 0 "[ . 1 . 2]" 1
740 1 55 PHE HB3 1 71 HIS QB 5.150 . 5.670 4.634 4.143 5.579 . 0 0 "[ . 1 . 2]" 1
741 1 55 PHE HB3 1 71 HIS HD2 4.120 . 4.530 3.619 2.844 4.329 . 0 0 "[ . 1 . 2]" 1
742 1 55 PHE QD 1 56 SER H 4.600 . 5.060 4.181 3.510 4.403 . 0 0 "[ . 1 . 2]" 1
743 1 55 PHE QD 1 56 SER HA 4.880 . 5.370 3.953 3.178 4.408 . 0 0 "[ . 1 . 2]" 1
744 1 55 PHE QD 1 60 ASN H 5.020 . 5.520 4.545 4.124 5.081 . 0 0 "[ . 1 . 2]" 1
745 1 55 PHE QD 1 61 CYS H 4.010 . 4.410 2.486 1.900 3.330 . 0 0 "[ . 1 . 2]" 1
746 1 55 PHE QD 1 61 CYS HA 4.870 . 5.360 4.254 3.790 4.959 . 0 0 "[ . 1 . 2]" 1
747 1 55 PHE QD 1 61 CYS HB2 4.250 . 4.680 2.809 2.259 3.336 . 0 0 "[ . 1 . 2]" 1
748 1 55 PHE QD 1 61 CYS HB3 4.290 . 4.720 2.949 2.109 3.853 . 0 0 "[ . 1 . 2]" 1
749 1 55 PHE QD 1 71 HIS HA 4.340 . 4.770 3.222 2.648 4.151 . 0 0 "[ . 1 . 2]" 1
750 1 55 PHE QD 1 72 LYS H 4.030 . 4.430 3.251 2.576 4.100 . 0 0 "[ . 1 . 2]" 1
751 1 55 PHE QE 1 61 CYS HB2 4.780 . 5.260 4.988 4.341 5.389 0.129 18 0 "[ . 1 . 2]" 1
752 1 55 PHE QE 1 72 LYS HA 4.890 . 5.380 4.238 3.495 5.172 . 0 0 "[ . 1 . 2]" 1
753 1 55 PHE QE 1 73 ILE HA 4.760 . 5.240 2.495 1.715 4.383 0.085 7 0 "[ . 1 . 2]" 1
754 1 55 PHE QE 1 73 ILE MD 4.850 . 5.330 3.280 1.821 4.846 . 0 0 "[ . 1 . 2]" 1
755 1 56 SER H 1 56 SER QB 3.140 . 3.450 2.502 2.261 2.737 . 0 0 "[ . 1 . 2]" 1
756 1 56 SER H 1 57 MET H 3.780 . 4.160 2.475 2.365 2.635 . 0 0 "[ . 1 . 2]" 1
757 1 56 SER H 1 57 MET HA 5.010 . 5.510 5.148 5.049 5.276 . 0 0 "[ . 1 . 2]" 1
758 1 56 SER H 1 59 GLY H 5.210 . 5.730 4.393 4.147 4.857 . 0 0 "[ . 1 . 2]" 1
759 1 56 SER HA 1 59 GLY H 4.610 . 5.070 4.435 4.103 4.592 . 0 0 "[ . 1 . 2]" 1
760 1 56 SER HA 1 74 VAL MG2 4.530 . 4.980 2.752 1.814 3.984 . 0 0 "[ . 1 . 2]" 1
761 1 56 SER QB 1 57 MET H 3.820 . 4.200 3.062 2.540 3.559 . 0 0 "[ . 1 . 2]" 1
762 1 56 SER QB 1 74 VAL MG2 4.110 . 4.520 3.185 2.148 4.541 0.021 15 0 "[ . 1 . 2]" 1
763 1 57 MET H 1 57 MET HB2 3.730 . 4.100 2.475 2.441 2.515 . 0 0 "[ . 1 . 2]" 1
764 1 57 MET H 1 57 MET QB 3.210 . 3.530 2.438 2.407 2.476 . 0 0 "[ . 1 . 2]" 1
765 1 57 MET H 1 57 MET HB3 3.730 . 4.100 3.662 3.640 3.711 . 0 0 "[ . 1 . 2]" 1
766 1 57 MET H 1 57 MET HG2 4.150 . 4.570 3.715 3.582 3.880 . 0 0 "[ . 1 . 2]" 1
767 1 57 MET H 1 57 MET HG3 4.150 . 4.570 2.629 2.515 2.839 . 0 0 "[ . 1 . 2]" 1
768 1 57 MET H 1 58 THR MG 4.820 . 5.300 4.276 4.112 4.542 . 0 0 "[ . 1 . 2]" 1
769 1 57 MET HA 1 57 MET ME 4.420 . 4.860 4.503 4.458 4.559 . 0 0 "[ . 1 . 2]" 1
770 1 57 MET HA 1 57 MET QG 3.500 . 3.850 2.437 2.399 2.482 . 0 0 "[ . 1 . 2]" 1
771 1 57 MET HA 1 58 THR MG 4.720 . 5.190 4.618 4.530 4.711 . 0 0 "[ . 1 . 2]" 1
772 1 57 MET HA 1 59 GLY H 4.820 . 5.300 4.658 4.288 5.240 . 0 0 "[ . 1 . 2]" 1
773 1 57 MET HB2 1 58 THR H 4.010 . 4.410 2.550 2.415 2.863 . 0 0 "[ . 1 . 2]" 1
774 1 57 MET HB2 1 58 THR MG 3.530 . 3.880 2.800 2.487 3.032 . 0 0 "[ . 1 . 2]" 1
775 1 57 MET HB3 1 58 THR H 4.010 . 4.410 3.505 3.385 3.756 . 0 0 "[ . 1 . 2]" 1
776 1 57 MET HB3 1 58 THR MG 3.530 . 3.880 3.263 3.106 3.522 . 0 0 "[ . 1 . 2]" 1
777 1 57 MET ME 1 58 THR MG 4.100 . 4.510 3.238 2.696 3.609 . 0 0 "[ . 1 . 2]" 1
778 1 57 MET HG2 1 58 THR MG 5.320 . 5.850 5.249 5.026 5.430 . 0 0 "[ . 1 . 2]" 1
779 1 57 MET HG3 1 58 THR MG 5.320 . 5.850 4.982 4.663 5.209 . 0 0 "[ . 1 . 2]" 1
780 1 58 THR H 1 58 THR MG 3.440 . 3.780 2.492 2.310 2.714 . 0 0 "[ . 1 . 2]" 1
781 1 58 THR H 1 59 GLY H 3.100 . 3.410 2.210 2.071 2.394 . 0 0 "[ . 1 . 2]" 1
782 1 58 THR H 1 59 GLY HA2 5.370 . 5.910 4.529 4.400 4.735 . 0 0 "[ . 1 . 2]" 1
783 1 58 THR H 1 59 GLY QA 4.560 . 5.020 4.197 4.090 4.353 . 0 0 "[ . 1 . 2]" 1
784 1 58 THR H 1 59 GLY HA3 5.370 . 5.910 4.962 4.861 5.080 . 0 0 "[ . 1 . 2]" 1
785 1 58 THR H 1 60 ASN H 4.500 . 4.950 3.836 3.443 4.512 . 0 0 "[ . 1 . 2]" 1
786 1 58 THR HA 1 58 THR MG 3.110 . 3.420 2.460 2.364 2.545 . 0 0 "[ . 1 . 2]" 1
787 1 58 THR HB 1 59 GLY H 5.110 . 5.620 4.087 3.724 4.382 . 0 0 "[ . 1 . 2]" 1
788 1 58 THR HB 1 60 ASN H 4.020 . 4.420 3.663 3.419 3.974 . 0 0 "[ . 1 . 2]" 1
789 1 58 THR MG 1 59 GLY H 4.390 . 4.830 4.022 3.764 4.320 . 0 0 "[ . 1 . 2]" 1
790 1 58 THR MG 1 60 ASN H 4.480 . 4.930 4.341 4.043 5.007 0.077 18 0 "[ . 1 . 2]" 1
791 1 59 GLY H 1 60 ASN H 3.330 . 3.660 2.566 2.319 3.233 . 0 0 "[ . 1 . 2]" 1
792 1 60 ASN H 1 60 ASN HB2 3.400 . 3.740 2.744 2.617 2.873 . 0 0 "[ . 1 . 2]" 1
793 1 60 ASN H 1 60 ASN HB3 3.990 . 4.390 3.846 3.771 3.909 . 0 0 "[ . 1 . 2]" 1
794 1 60 ASN H 1 61 CYS H 4.580 . 5.040 4.353 4.219 4.470 . 0 0 "[ . 1 . 2]" 1
795 1 60 ASN HB2 1 61 CYS H 3.930 . 4.320 4.039 3.646 4.288 . 0 0 "[ . 1 . 2]" 1
796 1 60 ASN HB3 1 61 CYS H 3.630 . 3.990 2.988 2.444 3.430 . 0 0 "[ . 1 . 2]" 1
797 1 61 CYS H 1 61 CYS HB2 3.630 . 3.990 3.024 2.617 3.256 . 0 0 "[ . 1 . 2]" 1
798 1 61 CYS H 1 61 CYS HB3 3.330 . 3.660 2.553 2.401 2.653 . 0 0 "[ . 1 . 2]" 1
799 1 61 CYS H 1 62 LYS HA 5.180 . 5.700 4.932 4.715 5.348 . 0 0 "[ . 1 . 2]" 1
800 1 61 CYS H 1 64 GLY H 5.220 . 5.740 4.842 4.416 5.424 . 0 0 "[ . 1 . 2]" 1
801 1 61 CYS H 1 71 HIS HE1 5.500 . 6.050 4.836 4.281 5.666 . 0 0 "[ . 1 . 2]" 1
802 1 61 CYS HA 1 62 LYS HA 5.010 . 5.510 4.403 4.345 4.456 . 0 0 "[ . 1 . 2]" 1
803 1 61 CYS HB2 1 71 HIS HE1 4.220 . 4.640 3.941 3.238 4.338 . 0 0 "[ . 1 . 2]" 1
804 1 61 CYS HB3 1 63 TYR H 4.470 . 4.920 4.288 4.029 4.773 . 0 0 "[ . 1 . 2]" 1
805 1 61 CYS HB3 1 64 GLY H 3.860 . 4.250 3.240 2.795 3.845 . 0 0 "[ . 1 . 2]" 1
806 1 61 CYS HB3 1 71 HIS HE1 3.330 . 3.660 2.693 2.257 3.140 . 0 0 "[ . 1 . 2]" 1
807 1 62 LYS HA 1 62 LYS HD2 5.500 . 6.050 4.964 4.363 5.630 . 0 0 "[ . 1 . 2]" 1
808 1 62 LYS HA 1 62 LYS HD3 5.500 . 6.050 5.095 4.057 5.630 . 0 0 "[ . 1 . 2]" 1
809 1 62 LYS HA 1 63 TYR HA 5.500 . 6.050 4.809 4.744 4.863 . 0 0 "[ . 1 . 2]" 1
810 1 62 LYS HA 1 64 GLY H 4.890 . 5.380 4.246 3.798 4.534 . 0 0 "[ . 1 . 2]" 1
811 1 62 LYS QB 1 62 LYS QD 3.260 . 3.590 2.340 2.174 2.720 . 0 0 "[ . 1 . 2]" 1
812 1 62 LYS HB2 1 63 TYR H 4.300 . 4.730 4.030 3.809 4.168 . 0 0 "[ . 1 . 2]" 1
813 1 62 LYS HB3 1 63 TYR H 4.300 . 4.730 4.012 2.421 4.293 . 0 0 "[ . 1 . 2]" 1
814 1 62 LYS HD2 1 63 TYR QE 5.500 . 6.050 4.494 2.954 5.425 . 0 0 "[ . 1 . 2]" 1
815 1 62 LYS HD3 1 63 TYR QE 5.500 . 6.050 3.967 3.119 4.997 . 0 0 "[ . 1 . 2]" 1
816 1 62 LYS HE2 1 63 TYR QE 5.500 . 6.050 4.550 2.643 6.145 0.095 5 0 "[ . 1 . 2]" 1
817 1 62 LYS HE3 1 63 TYR QE 5.500 . 6.050 4.553 2.870 6.055 0.005 18 0 "[ . 1 . 2]" 1
818 1 62 LYS QG 1 63 TYR QE 4.650 . 5.120 3.302 2.913 4.181 . 0 0 "[ . 1 . 2]" 1
819 1 62 LYS HG2 1 63 TYR H 3.970 . 4.370 3.136 2.866 4.416 0.046 15 0 "[ . 1 . 2]" 1
820 1 62 LYS HG3 1 63 TYR H 3.970 . 4.370 3.069 2.508 4.539 0.169 12 0 "[ . 1 . 2]" 1
821 1 63 TYR H 1 63 TYR HB2 2.960 . 3.260 2.475 2.369 2.582 . 0 0 "[ . 1 . 2]" 1
822 1 63 TYR H 1 63 TYR HB3 3.710 . 4.080 3.618 3.578 3.640 . 0 0 "[ . 1 . 2]" 1
823 1 63 TYR H 1 63 TYR QD 3.340 . 3.670 2.476 1.875 3.294 . 0 0 "[ . 1 . 2]" 1
824 1 63 TYR H 1 63 TYR QE 5.010 . 5.510 4.384 4.082 4.833 . 0 0 "[ . 1 . 2]" 1
825 1 63 TYR H 1 64 GLY H 2.980 . 3.280 2.512 2.338 2.721 . 0 0 "[ . 1 . 2]" 1
826 1 63 TYR H 1 64 GLY QA 5.170 . 5.690 4.366 4.245 4.560 . 0 0 "[ . 1 . 2]" 1
827 1 63 TYR H 1 67 CYS HA 5.500 . 6.050 5.348 4.891 5.917 . 0 0 "[ . 1 . 2]" 1
828 1 63 TYR HA 1 63 TYR QD 3.720 . 4.090 2.863 2.151 3.216 . 0 0 "[ . 1 . 2]" 1
829 1 63 TYR HA 1 63 TYR QE 5.390 . 5.930 4.670 4.318 4.821 . 0 0 "[ . 1 . 2]" 1
830 1 63 TYR HB2 1 67 CYS HA 4.220 . 4.640 2.922 2.373 3.546 . 0 0 "[ . 1 . 2]" 1
831 1 63 TYR HB2 1 67 CYS QB 4.760 . 5.240 2.070 1.781 2.597 0.019 13 0 "[ . 1 . 2]" 1
832 1 63 TYR HB3 1 64 GLY H 5.500 . 6.050 3.820 3.574 4.052 . 0 0 "[ . 1 . 2]" 1
833 1 63 TYR HB3 1 66 ARG H 4.120 . 4.530 3.759 3.322 4.550 0.020 4 0 "[ . 1 . 2]" 1
834 1 63 TYR HB3 1 67 CYS H 3.150 . 3.470 3.155 2.544 3.576 0.106 4 0 "[ . 1 . 2]" 1
835 1 63 TYR HB3 1 67 CYS HA 3.490 . 3.840 2.883 2.370 3.404 . 0 0 "[ . 1 . 2]" 1
836 1 63 TYR QD 1 64 GLY H 4.560 . 5.020 4.247 4.040 4.554 . 0 0 "[ . 1 . 2]" 1
837 1 63 TYR QD 1 67 CYS HA 4.530 . 4.980 3.697 3.185 4.268 . 0 0 "[ . 1 . 2]" 1
838 1 64 GLY H 1 67 CYS H 4.550 . 5.010 4.270 3.897 4.765 . 0 0 "[ . 1 . 2]" 1
839 1 64 GLY H 1 67 CYS QB 3.510 . 3.860 3.121 2.748 3.559 . 0 0 "[ . 1 . 2]" 1
840 1 64 GLY QA 1 65 THR MG 4.500 . 4.950 3.665 3.539 3.829 . 0 0 "[ . 1 . 2]" 1
841 1 64 GLY QA 1 66 ARG H 4.480 . 4.930 3.529 3.281 3.667 . 0 0 "[ . 1 . 2]" 1
842 1 64 GLY QA 1 71 HIS HE1 3.770 . 4.150 2.461 1.876 3.198 . 0 0 "[ . 1 . 2]" 1
843 1 64 GLY HA2 1 65 THR MG 5.130 . 5.640 4.626 4.228 5.134 . 0 0 "[ . 1 . 2]" 1
844 1 64 GLY HA2 1 66 ARG H 5.190 . 5.710 4.566 4.380 4.805 . 0 0 "[ . 1 . 2]" 1
845 1 64 GLY HA2 1 71 HIS HE1 4.390 . 4.830 2.484 1.883 3.249 . 0 0 "[ . 1 . 2]" 1
846 1 64 GLY HA3 1 65 THR MG 5.130 . 5.640 3.858 3.715 4.040 . 0 0 "[ . 1 . 2]" 1
847 1 64 GLY HA3 1 66 ARG H 5.190 . 5.710 3.674 3.389 3.842 . 0 0 "[ . 1 . 2]" 1
848 1 64 GLY HA3 1 71 HIS HE1 4.390 . 4.830 4.064 3.568 4.772 . 0 0 "[ . 1 . 2]" 1
849 1 65 THR HA 1 65 THR HB 2.960 . 3.260 2.514 2.456 2.551 . 0 0 "[ . 1 . 2]" 1
850 1 65 THR HA 1 65 THR MG 3.210 . 3.530 2.648 2.355 3.273 . 0 0 "[ . 1 . 2]" 1
851 1 65 THR HA 1 67 CYS H 4.120 . 4.530 3.621 3.294 3.849 . 0 0 "[ . 1 . 2]" 1
852 1 65 THR HB 1 66 ARG H 4.890 . 5.380 4.088 3.836 4.359 . 0 0 "[ . 1 . 2]" 1
853 1 65 THR MG 1 66 ARG H 4.430 . 4.870 3.718 2.520 4.308 . 0 0 "[ . 1 . 2]" 1
854 1 66 ARG H 1 66 ARG HB2 3.070 . 3.380 2.501 2.406 2.602 . 0 0 "[ . 1 . 2]" 1
855 1 66 ARG H 1 66 ARG HB3 3.690 . 4.060 3.639 3.600 3.682 . 0 0 "[ . 1 . 2]" 1
856 1 66 ARG H 1 66 ARG HD2 5.500 . 6.050 4.428 3.606 4.997 . 0 0 "[ . 1 . 2]" 1
857 1 66 ARG H 1 66 ARG HD3 5.500 . 6.050 4.699 3.947 5.023 . 0 0 "[ . 1 . 2]" 1
858 1 66 ARG H 1 66 ARG HG2 3.550 . 3.900 3.255 2.504 3.723 . 0 0 "[ . 1 . 2]" 1
859 1 66 ARG H 1 66 ARG QG 3.050 . 3.360 2.391 2.155 2.605 . 0 0 "[ . 1 . 2]" 1
860 1 66 ARG H 1 66 ARG HG3 3.550 . 3.900 2.822 2.178 3.931 0.031 19 0 "[ . 1 . 2]" 1
861 1 66 ARG H 1 67 CYS H 3.040 . 3.340 2.537 2.342 2.679 . 0 0 "[ . 1 . 2]" 1
862 1 66 ARG H 1 67 CYS HA 5.300 . 5.830 4.974 4.633 5.150 . 0 0 "[ . 1 . 2]" 1
863 1 66 ARG HA 1 66 ARG HD2 5.430 . 5.970 4.314 2.202 5.008 . 0 0 "[ . 1 . 2]" 1
864 1 66 ARG HA 1 66 ARG QD 4.690 . 5.160 3.702 2.187 4.360 . 0 0 "[ . 1 . 2]" 1
865 1 66 ARG HA 1 66 ARG HD3 5.430 . 5.970 4.210 2.947 4.937 . 0 0 "[ . 1 . 2]" 1
866 1 66 ARG HA 1 66 ARG HG2 3.850 . 4.230 2.801 2.502 3.292 . 0 0 "[ . 1 . 2]" 1
867 1 66 ARG HA 1 66 ARG QG 3.190 . 3.510 2.667 2.401 3.113 . 0 0 "[ . 1 . 2]" 1
868 1 66 ARG HA 1 66 ARG HG3 3.850 . 4.230 3.355 3.044 3.853 . 0 0 "[ . 1 . 2]" 1
869 1 66 ARG HA 1 67 CYS H 3.520 . 3.870 3.317 3.145 3.476 . 0 0 "[ . 1 . 2]" 1
870 1 66 ARG HB2 1 66 ARG QD 3.690 . 4.060 2.856 2.372 3.556 . 0 0 "[ . 1 . 2]" 1
871 1 66 ARG HB2 1 67 CYS H 4.080 . 4.490 3.524 3.013 3.859 . 0 0 "[ . 1 . 2]" 1
872 1 66 ARG HB3 1 66 ARG QD 3.720 . 4.090 2.617 2.372 3.101 . 0 0 "[ . 1 . 2]" 1
873 1 66 ARG HB3 1 67 CYS H 4.400 . 4.840 4.289 4.059 4.476 . 0 0 "[ . 1 . 2]" 1
874 1 66 ARG HG2 1 67 CYS H 5.230 . 5.750 5.106 4.697 5.348 . 0 0 "[ . 1 . 2]" 1
875 1 66 ARG HG3 1 67 CYS H 5.230 . 5.750 4.951 4.294 5.817 0.067 15 0 "[ . 1 . 2]" 1
876 1 67 CYS H 1 67 CYS HB2 3.260 . 3.590 2.591 2.486 2.713 . 0 0 "[ . 1 . 2]" 1
877 1 67 CYS H 1 67 CYS QB 2.760 . 3.040 2.265 2.226 2.298 . 0 0 "[ . 1 . 2]" 1
878 1 67 CYS H 1 67 CYS HB3 3.260 . 3.590 2.505 2.450 2.624 . 0 0 "[ . 1 . 2]" 1
879 1 67 CYS H 1 68 GLN H 4.900 . 5.390 4.528 4.429 4.639 . 0 0 "[ . 1 . 2]" 1
880 1 67 CYS H 1 69 PHE H 5.390 . 5.930 5.408 5.109 5.972 0.042 12 0 "[ . 1 . 2]" 1
881 1 67 CYS H 1 71 HIS HE1 4.920 . 5.410 4.396 4.033 4.750 . 0 0 "[ . 1 . 2]" 1
882 1 67 CYS HA 1 68 GLN H 2.870 . 3.160 2.174 2.128 2.294 . 0 0 "[ . 1 . 2]" 1
883 1 67 CYS HA 1 69 PHE H 4.360 . 4.800 3.711 3.348 4.235 . 0 0 "[ . 1 . 2]" 1
884 1 67 CYS QB 1 68 GLN H 4.400 . 4.840 3.745 3.418 3.897 . 0 0 "[ . 1 . 2]" 1
885 1 67 CYS QB 1 69 PHE H 4.020 . 4.420 3.641 3.310 4.216 . 0 0 "[ . 1 . 2]" 1
886 1 67 CYS QB 1 71 HIS HE1 3.230 . 3.550 2.822 2.449 3.035 . 0 0 "[ . 1 . 2]" 1
887 1 67 CYS HB2 1 68 GLN H 5.130 . 5.640 4.238 3.896 4.414 . 0 0 "[ . 1 . 2]" 1
888 1 67 CYS HB2 1 69 PHE H 4.720 . 5.190 4.519 4.228 4.973 . 0 0 "[ . 1 . 2]" 1
889 1 67 CYS HB2 1 71 HIS HE1 3.960 . 4.360 3.324 2.930 3.671 . 0 0 "[ . 1 . 2]" 1
890 1 67 CYS HB3 1 68 GLN H 5.130 . 5.640 4.172 3.783 4.362 . 0 0 "[ . 1 . 2]" 1
891 1 67 CYS HB3 1 69 PHE H 4.720 . 5.190 3.848 3.434 4.583 . 0 0 "[ . 1 . 2]" 1
892 1 67 CYS HB3 1 71 HIS HE1 3.960 . 4.360 3.110 2.498 3.643 . 0 0 "[ . 1 . 2]" 1
893 1 68 GLN H 1 68 GLN QB 3.200 . 3.520 2.666 2.457 2.926 . 0 0 "[ . 1 . 2]" 1
894 1 68 GLN H 1 68 GLN QE 4.340 . 4.770 3.837 3.271 4.728 . 0 0 "[ . 1 . 2]" 1
895 1 68 GLN H 1 68 GLN QG 3.460 . 3.810 2.316 1.909 3.167 . 0 0 "[ . 1 . 2]" 1
896 1 68 GLN H 1 69 PHE H 3.440 . 3.780 2.514 2.149 2.793 . 0 0 "[ . 1 . 2]" 1
897 1 68 GLN HA 1 68 GLN QG 3.670 . 4.040 3.388 2.512 3.551 . 0 0 "[ . 1 . 2]" 1
898 1 68 GLN QB 1 69 PHE H 4.230 . 4.650 3.796 2.499 4.032 . 0 0 "[ . 1 . 2]" 1
899 1 68 GLN HB2 1 69 PHE H 4.930 . 5.420 4.218 2.546 4.488 . 0 0 "[ . 1 . 2]" 1
900 1 68 GLN HB3 1 69 PHE H 4.930 . 5.420 4.336 3.628 4.578 . 0 0 "[ . 1 . 2]" 1
901 1 68 GLN QG 1 69 PHE H 4.410 . 4.850 3.144 2.409 4.028 . 0 0 "[ . 1 . 2]" 1
902 1 69 PHE H 1 69 PHE HB2 3.810 . 4.190 2.553 2.426 2.710 . 0 0 "[ . 1 . 2]" 1
903 1 69 PHE H 1 69 PHE QB 3.180 . 3.500 2.510 2.392 2.657 . 0 0 "[ . 1 . 2]" 1
904 1 69 PHE H 1 69 PHE HB3 3.810 . 4.190 3.706 3.625 3.832 . 0 0 "[ . 1 . 2]" 1
905 1 69 PHE H 1 69 PHE QD 3.850 . 4.230 3.134 2.665 3.800 . 0 0 "[ . 1 . 2]" 1
906 1 69 PHE H 1 70 ILE H 4.840 . 5.320 4.530 4.453 4.616 . 0 0 "[ . 1 . 2]" 1
907 1 69 PHE HA 1 69 PHE QD 3.780 . 4.160 2.556 2.026 2.989 . 0 0 "[ . 1 . 2]" 1
908 1 69 PHE QB 1 70 ILE H 3.560 . 3.920 2.681 2.542 2.755 . 0 0 "[ . 1 . 2]" 1
909 1 69 PHE HB2 1 70 ILE H 4.440 . 4.880 3.848 3.779 3.928 . 0 0 "[ . 1 . 2]" 1
910 1 69 PHE HB3 1 70 ILE H 4.440 . 4.880 2.737 2.582 2.825 . 0 0 "[ . 1 . 2]" 1
911 1 70 ILE H 1 70 ILE HB 3.500 . 3.850 2.627 2.541 2.706 . 0 0 "[ . 1 . 2]" 1
912 1 70 ILE H 1 70 ILE MD 4.440 . 4.880 3.584 3.502 3.675 . 0 0 "[ . 1 . 2]" 1
913 1 70 ILE H 1 70 ILE HG12 4.000 . 4.400 3.238 3.083 3.364 . 0 0 "[ . 1 . 2]" 1
914 1 70 ILE H 1 70 ILE QG 3.360 . 3.700 2.000 1.872 2.093 . 0 0 "[ . 1 . 2]" 1
915 1 70 ILE H 1 70 ILE HG13 4.000 . 4.400 2.019 1.888 2.114 . 0 0 "[ . 1 . 2]" 1
916 1 70 ILE H 1 70 ILE MG 4.390 . 4.830 3.816 3.789 3.841 . 0 0 "[ . 1 . 2]" 1
917 1 70 ILE HA 1 70 ILE MD 4.130 . 4.540 3.931 3.884 3.977 . 0 0 "[ . 1 . 2]" 1
918 1 70 ILE HA 1 70 ILE QG 3.600 . 3.960 2.542 2.473 2.608 . 0 0 "[ . 1 . 2]" 1
919 1 70 ILE HA 1 70 ILE MG 3.440 . 3.780 2.441 2.386 2.493 . 0 0 "[ . 1 . 2]" 1
920 1 70 ILE HB 1 70 ILE MD 3.350 . 3.690 2.476 2.435 2.524 . 0 0 "[ . 1 . 2]" 1
921 1 70 ILE MD 1 70 ILE MG 2.770 . 3.050 2.019 1.980 2.071 . 0 0 "[ . 1 . 2]" 1
922 1 70 ILE QG 1 71 HIS H 4.830 . 5.310 4.389 4.234 4.561 . 0 0 "[ . 1 . 2]" 1
923 1 70 ILE MG 1 71 HIS H 4.300 . 4.730 2.958 2.554 3.243 . 0 0 "[ . 1 . 2]" 1
924 1 70 ILE MG 1 71 HIS HA 5.000 . 5.500 3.977 3.763 4.321 . 0 0 "[ . 1 . 2]" 1
925 1 70 ILE MG 1 72 LYS H 4.220 . 4.640 3.344 2.996 4.130 . 0 0 "[ . 1 . 2]" 1
926 1 70 ILE MG 1 72 LYS HA 4.190 . 4.610 3.833 3.283 4.324 . 0 0 "[ . 1 . 2]" 1
927 1 70 ILE MG 1 72 LYS HB2 4.510 . 4.960 3.511 2.037 4.420 . 0 0 "[ . 1 . 2]" 1
928 1 70 ILE MG 1 72 LYS QB 3.810 . 4.190 3.212 2.012 4.076 . 0 0 "[ . 1 . 2]" 1
929 1 70 ILE MG 1 72 LYS HB3 4.510 . 4.960 4.083 2.807 4.779 . 0 0 "[ . 1 . 2]" 1
930 1 70 ILE MG 1 72 LYS HD2 5.460 . 6.010 3.689 2.655 4.888 . 0 0 "[ . 1 . 2]" 1
931 1 70 ILE MG 1 72 LYS QD 4.680 . 5.150 3.282 2.270 4.575 . 0 0 "[ . 1 . 2]" 1
932 1 70 ILE MG 1 72 LYS HD3 5.460 . 6.010 3.894 2.446 5.512 . 0 0 "[ . 1 . 2]" 1
933 1 70 ILE MG 1 72 LYS HE2 5.460 . 6.010 4.066 1.923 5.401 . 0 0 "[ . 1 . 2]" 1
934 1 70 ILE MG 1 72 LYS QE 4.690 . 5.160 3.613 1.913 4.887 . 0 0 "[ . 1 . 2]" 1
935 1 70 ILE MG 1 72 LYS HE3 5.460 . 6.010 4.303 2.144 5.872 . 0 0 "[ . 1 . 2]" 1
936 1 70 ILE MG 1 72 LYS QG 3.810 . 4.190 2.825 1.852 4.300 0.110 7 0 "[ . 1 . 2]" 1
937 1 71 HIS HA 1 71 HIS HD2 3.660 . 4.030 2.392 2.290 2.533 . 0 0 "[ . 1 . 2]" 1
938 1 71 HIS HA 1 72 LYS H 3.170 . 3.490 2.210 2.120 2.269 . 0 0 "[ . 1 . 2]" 1
939 1 71 HIS HB2 1 72 LYS H 5.500 . 6.050 4.546 4.494 4.567 . 0 0 "[ . 1 . 2]" 1
940 1 71 HIS HB3 1 72 LYS H 5.500 . 6.050 3.997 3.765 4.066 . 0 0 "[ . 1 . 2]" 1
941 1 71 HIS HD2 1 72 LYS H 5.000 . 5.500 4.453 4.248 4.637 . 0 0 "[ . 1 . 2]" 1
942 1 72 LYS H 1 72 LYS HB2 3.740 . 4.110 2.769 2.387 3.782 . 0 0 "[ . 1 . 2]" 1
943 1 72 LYS H 1 72 LYS HB3 3.740 . 4.110 3.246 2.492 3.769 . 0 0 "[ . 1 . 2]" 1
944 1 72 LYS H 1 72 LYS HG2 5.500 . 6.050 3.811 2.307 4.806 . 0 0 "[ . 1 . 2]" 1
945 1 72 LYS H 1 72 LYS QG 4.660 . 5.130 3.216 2.232 4.117 . 0 0 "[ . 1 . 2]" 1
946 1 72 LYS H 1 72 LYS HG3 5.500 . 6.050 3.736 2.690 4.701 . 0 0 "[ . 1 . 2]" 1
947 1 72 LYS H 1 73 ILE H 4.620 . 5.080 4.394 4.034 4.555 . 0 0 "[ . 1 . 2]" 1
948 1 72 LYS HA 1 72 LYS HD2 5.500 . 6.050 3.833 2.101 5.634 . 0 0 "[ . 1 . 2]" 1
949 1 72 LYS HA 1 72 LYS QD 4.770 . 5.250 3.420 2.090 4.621 . 0 0 "[ . 1 . 2]" 1
950 1 72 LYS HA 1 72 LYS HD3 5.500 . 6.050 4.188 3.107 4.951 . 0 0 "[ . 1 . 2]" 1
951 1 72 LYS HA 1 72 LYS HG2 4.230 . 4.650 3.145 2.492 3.882 . 0 0 "[ . 1 . 2]" 1
952 1 72 LYS HA 1 72 LYS QG 3.540 . 3.890 2.758 2.380 3.416 . 0 0 "[ . 1 . 2]" 1
953 1 72 LYS HA 1 72 LYS HG3 4.230 . 4.650 3.243 2.561 3.830 . 0 0 "[ . 1 . 2]" 1
954 1 72 LYS HA 1 73 ILE H 2.640 . 2.900 2.185 2.125 2.263 . 0 0 "[ . 1 . 2]" 1
955 1 72 LYS QB 1 73 ILE H 3.760 . 4.140 3.433 2.946 3.879 . 0 0 "[ . 1 . 2]" 1
956 1 72 LYS QG 1 73 ILE H 5.330 . 5.860 3.868 2.683 4.881 . 0 0 "[ . 1 . 2]" 1
957 1 73 ILE H 1 73 ILE HB 3.010 . 3.310 2.541 2.450 2.645 . 0 0 "[ . 1 . 2]" 1
958 1 73 ILE H 1 73 ILE MD 4.610 . 5.070 3.409 2.027 3.712 . 0 0 "[ . 1 . 2]" 1
959 1 73 ILE H 1 73 ILE HG12 3.730 . 4.100 2.928 2.133 3.958 . 0 0 "[ . 1 . 2]" 1
960 1 73 ILE H 1 73 ILE QG 3.260 . 3.590 2.259 2.022 3.366 . 0 0 "[ . 1 . 2]" 1
961 1 73 ILE H 1 73 ILE HG13 3.730 . 4.100 2.946 2.040 4.013 . 0 0 "[ . 1 . 2]" 1
962 1 73 ILE H 1 73 ILE MG 3.960 . 4.360 3.821 3.800 3.851 . 0 0 "[ . 1 . 2]" 1
963 1 73 ILE HA 1 73 ILE MD 4.040 . 4.440 3.058 2.061 3.930 . 0 0 "[ . 1 . 2]" 1
964 1 73 ILE HA 1 73 ILE HG12 4.250 . 4.680 2.906 2.510 3.725 . 0 0 "[ . 1 . 2]" 1
965 1 73 ILE HA 1 73 ILE QG 3.580 . 3.940 2.713 2.394 3.062 . 0 0 "[ . 1 . 2]" 1
966 1 73 ILE HA 1 73 ILE HG13 4.250 . 4.680 3.385 2.490 3.837 . 0 0 "[ . 1 . 2]" 1
967 1 73 ILE HA 1 73 ILE MG 3.190 . 3.510 2.485 2.423 2.592 . 0 0 "[ . 1 . 2]" 1
968 1 73 ILE HA 1 74 VAL H 2.630 . 2.890 2.175 2.094 2.244 . 0 0 "[ . 1 . 2]" 1
969 1 73 ILE HA 1 74 VAL MG2 5.000 . 5.500 3.633 3.404 3.969 . 0 0 "[ . 1 . 2]" 1
970 1 73 ILE HB 1 73 ILE MD 3.540 . 3.890 2.847 2.475 3.292 . 0 0 "[ . 1 . 2]" 1
971 1 73 ILE HB 1 74 VAL H 4.300 . 4.730 4.343 4.063 4.493 . 0 0 "[ . 1 . 2]" 1
972 1 73 ILE QG 1 73 ILE MG 3.100 . 3.410 2.361 2.142 2.423 . 0 0 "[ . 1 . 2]" 1
973 1 73 ILE QG 1 74 VAL H 4.640 . 5.100 4.523 4.115 4.910 . 0 0 "[ . 1 . 2]" 1
974 1 73 ILE HG12 1 74 VAL H 5.300 . 5.830 4.937 4.350 5.480 . 0 0 "[ . 1 . 2]" 1
975 1 73 ILE HG13 1 74 VAL H 5.300 . 5.830 5.310 4.352 5.878 0.048 2 0 "[ . 1 . 2]" 1
976 1 73 ILE MG 1 74 VAL H 3.200 . 3.520 3.064 2.505 3.516 . 0 0 "[ . 1 . 2]" 1
977 1 73 ILE MG 1 74 VAL HA 4.370 . 4.810 4.311 3.966 4.495 . 0 0 "[ . 1 . 2]" 1
978 1 74 VAL H 1 74 VAL HB 3.210 . 3.530 2.582 2.525 2.677 . 0 0 "[ . 1 . 2]" 1
979 1 74 VAL H 1 74 VAL MG2 3.400 . 3.740 2.117 1.984 2.705 . 0 0 "[ . 1 . 2]" 1
980 1 74 VAL HA 1 74 VAL MG1 3.390 . 3.730 2.459 2.424 2.493 . 0 0 "[ . 1 . 2]" 1
981 1 74 VAL HA 1 74 VAL MG2 3.310 . 3.640 2.480 2.447 2.513 . 0 0 "[ . 1 . 2]" 1
982 1 74 VAL HA 1 75 ASP H 2.730 . 3.000 2.154 2.086 2.209 . 0 0 "[ . 1 . 2]" 1
983 1 74 VAL HB 1 75 ASP H 3.920 . 4.310 4.285 4.154 4.377 0.067 2 0 "[ . 1 . 2]" 1
984 1 74 VAL MG1 1 75 ASP H 3.420 . 3.760 2.950 2.676 3.212 . 0 0 "[ . 1 . 2]" 1
985 1 74 VAL MG1 1 75 ASP HA 4.420 . 4.860 4.177 3.555 4.478 . 0 0 "[ . 1 . 2]" 1
986 1 74 VAL MG1 1 75 ASP HB2 5.030 . 5.530 4.806 3.825 5.543 0.013 11 0 "[ . 1 . 2]" 1
987 1 74 VAL MG1 1 75 ASP QB 4.390 . 4.830 4.318 3.701 4.772 . 0 0 "[ . 1 . 2]" 1
988 1 74 VAL MG1 1 75 ASP HB3 5.030 . 5.530 5.057 4.182 5.460 . 0 0 "[ . 1 . 2]" 1
989 1 74 VAL MG1 1 76 GLY H 4.760 . 5.240 4.118 1.908 5.279 0.039 11 0 "[ . 1 . 2]" 1
990 1 74 VAL MG1 1 76 GLY QA 4.590 . 5.050 3.956 2.576 4.772 . 0 0 "[ . 1 . 2]" 1
991 1 75 ASP H 1 75 ASP HB2 3.960 . 4.360 2.794 2.471 3.639 . 0 0 "[ . 1 . 2]" 1
992 1 75 ASP H 1 75 ASP QB 3.230 . 3.550 2.448 2.250 2.658 . 0 0 "[ . 1 . 2]" 1
993 1 75 ASP H 1 75 ASP HB3 3.960 . 4.360 3.062 2.433 3.667 . 0 0 "[ . 1 . 2]" 1
994 1 75 ASP QB 1 76 GLY H 4.480 . 4.930 3.001 2.192 3.968 . 0 0 "[ . 1 . 2]" 1
995 1 75 ASP HB2 1 76 GLY H 5.090 . 5.600 3.752 2.593 4.479 . 0 0 "[ . 1 . 2]" 1
996 1 75 ASP HB3 1 76 GLY H 5.090 . 5.600 3.401 2.221 4.443 . 0 0 "[ . 1 . 2]" 1
997 1 77 ASN H 1 78 ALA H 5.140 . 5.650 3.669 2.441 4.571 . 0 0 "[ . 1 . 2]" 1
998 1 77 ASN QB 1 78 ALA H 4.100 . 4.510 3.434 2.115 4.096 . 0 0 "[ . 1 . 2]" 1
999 1 77 ASN HB2 1 78 ALA H 4.680 . 5.150 4.004 2.430 4.645 . 0 0 "[ . 1 . 2]" 1
1000 1 77 ASN HB3 1 78 ALA H 4.680 . 5.150 3.953 2.129 4.646 . 0 0 "[ . 1 . 2]" 1
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