NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598469 |
2n40   |
25663 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n40
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 1383
_Distance_constraint_stats_list.Viol_count 888
_Distance_constraint_stats_list.Viol_total 2117.047
_Distance_constraint_stats_list.Viol_max 0.879
_Distance_constraint_stats_list.Viol_rms 0.0291
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.1192
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 1.656 0.290 18 0 "[ . 1 . 2]"
1 3 TYR 0.762 0.145 2 0 "[ . 1 . 2]"
1 4 HIS 0.282 0.072 16 0 "[ . 1 . 2]"
1 5 ARG 2.834 0.644 6 1 "[ .+ 1 . 2]"
1 6 GLU 1.738 0.321 14 0 "[ . 1 . 2]"
1 7 ALA 1.771 0.321 14 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.371 0.143 9 0 "[ . 1 . 2]"
1 10 GLY 0.906 0.300 9 0 "[ . 1 . 2]"
1 11 LYS 1.778 0.372 20 0 "[ . 1 . 2]"
1 12 TYR 0.193 0.055 14 0 "[ . 1 . 2]"
1 13 LYS 5.636 0.427 5 0 "[ . 1 . 2]"
1 14 LEU 5.155 0.386 17 0 "[ . 1 . 2]"
1 15 THR 1.009 0.170 7 0 "[ . 1 . 2]"
1 16 TYR 2.986 0.374 14 0 "[ . 1 . 2]"
1 17 ALA 1.521 0.474 14 0 "[ . 1 . 2]"
1 18 GLU 4.943 0.386 17 0 "[ . 1 . 2]"
1 19 ALA 0.651 0.132 8 0 "[ . 1 . 2]"
1 20 LYS 6.355 0.548 10 2 "[ - + . 2]"
1 21 ALA 2.677 0.468 3 0 "[ . 1 . 2]"
1 22 VAL 0.466 0.166 9 0 "[ . 1 . 2]"
1 23 CYS 3.123 0.513 1 1 "[+ . 1 . 2]"
1 24 GLU 5.644 0.468 3 0 "[ . 1 . 2]"
1 25 PHE 0.951 0.390 20 0 "[ . 1 . 2]"
1 26 GLU 0.307 0.059 15 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.190 0.095 15 0 "[ . 1 . 2]"
1 29 HIS 0.127 0.059 15 0 "[ . 1 . 2]"
1 30 LEU 4.568 0.513 1 1 "[+ . 1 . 2]"
1 31 ALA 1.419 0.234 15 0 "[ . 1 . 2]"
1 32 THR 4.459 0.337 9 0 "[ . 1 . 2]"
1 33 TYR 9.883 0.491 9 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 1.237 0.198 12 0 "[ . 1 . 2]"
1 36 LEU 8.468 0.491 9 0 "[ . 1 . 2]"
1 37 GLU 0.198 0.059 15 0 "[ . 1 . 2]"
1 38 ALA 0.044 0.044 1 0 "[ . 1 . 2]"
1 39 ALA 0.186 0.066 5 0 "[ . 1 . 2]"
1 40 ARG 4.972 0.391 1 0 "[ . 1 . 2]"
1 41 LYS 0.185 0.149 9 0 "[ . 1 . 2]"
1 42 ILE 1.080 0.189 8 0 "[ . 1 . 2]"
1 43 GLY 2.336 0.257 9 0 "[ . 1 . 2]"
1 44 PHE 3.921 0.265 15 0 "[ . 1 . 2]"
1 45 HIS 3.029 0.257 9 0 "[ . 1 . 2]"
1 46 VAL 0.150 0.070 11 0 "[ . 1 . 2]"
1 47 CYS 0.607 0.201 5 0 "[ . 1 . 2]"
1 48 ALA 0.228 0.093 4 0 "[ . 1 . 2]"
1 49 ALA 1.695 0.249 8 0 "[ . 1 . 2]"
1 50 GLY 0.235 0.235 6 0 "[ . 1 . 2]"
1 51 TRP 9.087 0.374 14 0 "[ . 1 . 2]"
1 52 MET 4.892 0.377 11 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 3.028 0.879 8 3 "[ -. + 1 .* 2]"
1 55 GLY 0.747 0.253 6 0 "[ . 1 . 2]"
1 56 ARG 11.740 0.879 8 3 "[ -. + 1 .* 2]"
1 57 VAL 6.044 0.341 2 0 "[ . 1 . 2]"
1 58 GLY 1.916 0.384 18 0 "[ . 1 . 2]"
1 59 TYR 2.594 0.296 2 0 "[ . 1 . 2]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 2.857 0.257 13 0 "[ . 1 . 2]"
1 62 VAL 3.748 0.434 15 0 "[ . 1 . 2]"
1 63 LYS 1.312 0.293 2 0 "[ . 1 . 2]"
1 64 PRO 2.461 0.323 2 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.009 0.009 7 0 "[ . 1 . 2]"
1 68 CYS 1.734 0.249 8 0 "[ . 1 . 2]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.708 0.160 4 0 "[ . 1 . 2]"
1 73 THR 3.463 0.323 2 0 "[ . 1 . 2]"
1 74 GLY 3.212 0.434 15 0 "[ . 1 . 2]"
1 75 ILE 2.981 0.384 18 0 "[ . 1 . 2]"
1 76 ILE 2.004 0.296 2 0 "[ . 1 . 2]"
1 77 ASP 1.427 0.236 5 0 "[ . 1 . 2]"
1 78 TYR 0.960 0.225 2 0 "[ . 1 . 2]"
1 79 GLY 3.762 0.430 4 0 "[ . 1 . 2]"
1 80 ILE 2.616 0.253 6 0 "[ . 1 . 2]"
1 81 ARG 2.532 0.430 12 0 "[ . 1 . 2]"
1 82 LEU 0.096 0.088 13 0 "[ . 1 . 2]"
1 83 ASN 1.314 0.231 14 0 "[ . 1 . 2]"
1 84 ARG 2.299 0.474 14 0 "[ . 1 . 2]"
1 85 SER 2.256 0.239 16 0 "[ . 1 . 2]"
1 86 GLU 2.624 0.199 1 0 "[ . 1 . 2]"
1 87 ARG 0.437 0.114 1 0 "[ . 1 . 2]"
1 88 TRP 1.210 0.198 12 0 "[ . 1 . 2]"
1 89 ASP 0.441 0.161 2 0 "[ . 1 . 2]"
1 90 ALA 0.416 0.139 12 0 "[ . 1 . 2]"
1 91 TYR 0.815 0.256 6 0 "[ . 1 . 2]"
1 92 CYS 0.013 0.013 2 0 "[ . 1 . 2]"
1 93 TYR 5.110 0.644 6 1 "[ .+ 1 . 2]"
1 94 ASN 0.485 0.095 15 0 "[ . 1 . 2]"
1 95 PRO 0.212 0.162 15 0 "[ . 1 . 2]"
1 96 HIS 0.029 0.018 15 0 "[ . 1 . 2]"
1 97 ALA 0.661 0.162 15 0 "[ . 1 . 2]"
1 98 LYS 2.671 0.228 3 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 1 GLY HA3 1 2 VAL H 3.360 . 5.360 2.859 2.146 3.568 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY HA2 1 2 VAL H 3.360 . 5.360 3.014 2.186 3.571 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 2 VAL HB 4.500 . 6.500 4.785 4.202 5.725 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY QA 1 2 VAL QG 4.680 . 6.680 3.429 2.996 4.108 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY QA 1 2 VAL H 2.870 . 3.870 2.480 2.118 2.920 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLY QA 1 93 TYR QE 4.280 . 6.280 3.138 2.190 5.166 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLY QA 1 94 ASN H 4.230 . 6.230 4.782 2.848 6.122 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL HA 1 2 VAL MG1 3.500 . 5.500 2.533 2.276 3.209 . 0 0 "[ . 1 . 2]" 1
9 1 2 VAL HA 1 2 VAL MG2 3.500 . 5.500 2.543 2.294 3.209 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL HA 1 31 ALA MB 5.220 . 7.220 4.502 3.412 5.542 . 0 0 "[ . 1 . 2]" 1
11 1 2 VAL HA 1 3 TYR H 3.190 . 5.190 2.236 2.133 2.367 . 0 0 "[ . 1 . 2]" 1
12 1 2 VAL HA 1 93 TYR HA 3.460 . 5.460 3.186 2.415 3.801 . 0 0 "[ . 1 . 2]" 1
13 1 2 VAL HA 1 93 TYR HB3 4.490 . 6.490 5.394 3.883 6.530 0.040 2 0 "[ . 1 . 2]" 1
14 1 2 VAL HA 1 93 TYR HB2 5.460 . 7.460 4.006 2.358 5.791 . 0 0 "[ . 1 . 2]" 1
15 1 2 VAL HA 1 93 TYR QE 4.500 . 6.500 4.636 3.198 5.832 . 0 0 "[ . 1 . 2]" 1
16 1 2 VAL HA 1 94 ASN H 3.810 . 5.810 4.126 3.412 4.566 . 0 0 "[ . 1 . 2]" 1
17 1 2 VAL HB 1 3 TYR H 4.090 . 6.090 3.683 2.648 4.128 . 0 0 "[ . 1 . 2]" 1
18 1 2 VAL MG1 1 36 LEU HA 3.820 . 5.820 4.160 2.778 5.049 . 0 0 "[ . 1 . 2]" 1
19 1 2 VAL MG1 1 3 TYR H 4.020 . 6.020 2.884 1.916 3.941 . 0 0 "[ . 1 . 2]" 1
20 1 2 VAL MG1 1 93 TYR HB3 4.190 . 6.190 5.339 3.676 6.480 0.290 18 0 "[ . 1 . 2]" 1
21 1 2 VAL MG1 1 93 TYR QD 3.780 . 5.780 3.619 2.103 4.809 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL MG2 1 36 LEU HA 3.820 . 5.820 3.759 2.667 5.672 . 0 0 "[ . 1 . 2]" 1
23 1 2 VAL MG2 1 3 TYR H 4.020 . 6.020 3.447 1.833 4.059 . 0 0 "[ . 1 . 2]" 1
24 1 2 VAL MG2 1 93 TYR HB3 4.190 . 6.190 5.180 2.919 6.378 0.188 19 0 "[ . 1 . 2]" 1
25 1 2 VAL MG2 1 93 TYR QD 3.780 . 5.780 3.190 2.238 4.710 . 0 0 "[ . 1 . 2]" 1
26 1 2 VAL QG 1 31 ALA H 3.450 . 5.450 4.388 3.805 5.368 . 0 0 "[ . 1 . 2]" 1
27 1 2 VAL QG 1 32 THR H 4.360 . 6.360 5.074 4.270 6.247 . 0 0 "[ . 1 . 2]" 1
28 1 2 VAL QG 1 36 LEU HA 3.160 . 5.160 3.333 2.605 4.341 . 0 0 "[ . 1 . 2]" 1
29 1 2 VAL QG 1 36 LEU HB3 4.570 . 6.570 4.935 4.391 6.049 . 0 0 "[ . 1 . 2]" 1
30 1 2 VAL QG 1 36 LEU MD2 2.970 . 3.970 2.537 2.018 3.602 . 0 0 "[ . 1 . 2]" 1
31 1 2 VAL QG 1 39 ALA MB 3.480 . 5.480 2.268 1.895 3.195 . 0 0 "[ . 1 . 2]" 1
32 1 2 VAL QG 1 39 ALA H 4.070 . 6.070 4.325 3.730 5.554 . 0 0 "[ . 1 . 2]" 1
33 1 2 VAL QG 1 3 TYR HA 4.410 . 6.410 3.527 3.069 3.985 . 0 0 "[ . 1 . 2]" 1
34 1 2 VAL QG 1 3 TYR HB2 3.780 . 5.780 4.879 4.276 5.660 . 0 0 "[ . 1 . 2]" 1
35 1 2 VAL QG 1 3 TYR H 3.180 . 5.180 2.411 1.826 3.505 . 0 0 "[ . 1 . 2]" 1
36 1 2 VAL QG 1 40 ARG H 3.860 . 5.860 5.156 4.368 5.871 0.011 2 0 "[ . 1 . 2]" 1
37 1 2 VAL QG 1 93 TYR HA 2.870 . 3.870 3.456 2.295 3.928 0.058 19 0 "[ . 1 . 2]" 1
38 1 2 VAL QG 1 93 TYR HB2 4.400 . 6.400 3.134 2.255 4.434 . 0 0 "[ . 1 . 2]" 1
39 1 2 VAL QG 1 93 TYR QD 3.160 . 5.160 2.726 2.099 3.790 . 0 0 "[ . 1 . 2]" 1
40 1 2 VAL QG 1 94 ASN H 4.220 . 6.220 4.610 3.298 5.122 . 0 0 "[ . 1 . 2]" 1
41 1 2 VAL H 1 2 VAL HB 3.210 . 5.210 2.862 2.427 3.937 . 0 0 "[ . 1 . 2]" 1
42 1 2 VAL H 1 2 VAL QG 3.290 . 5.290 2.058 1.764 2.891 0.036 3 0 "[ . 1 . 2]" 1
43 1 2 VAL H 1 39 ALA H 5.380 . 7.380 6.644 4.872 7.446 0.066 5 0 "[ . 1 . 2]" 1
44 1 2 VAL H 1 3 TYR H 3.820 . 5.820 4.534 4.209 4.604 . 0 0 "[ . 1 . 2]" 1
45 1 2 VAL H 1 93 TYR QE 4.580 . 6.580 4.390 3.071 6.123 . 0 0 "[ . 1 . 2]" 1
46 1 2 VAL H 1 94 ASN H 4.830 . 6.830 5.838 4.284 6.913 0.083 7 0 "[ . 1 . 2]" 1
47 1 3 TYR HA 1 44 PHE QE 4.120 . 6.120 3.804 2.420 5.318 . 0 0 "[ . 1 . 2]" 1
48 1 3 TYR HA 1 44 PHE HZ 4.490 . 6.490 4.128 2.499 6.436 . 0 0 "[ . 1 . 2]" 1
49 1 3 TYR HB3 1 4 HIS H 3.970 . 5.970 3.932 3.438 4.204 . 0 0 "[ . 1 . 2]" 1
50 1 3 TYR HB2 1 4 HIS H 4.710 . 6.710 3.196 2.286 4.430 . 0 0 "[ . 1 . 2]" 1
51 1 3 TYR QD 1 5 ARG QD 4.280 . 6.280 4.222 2.425 5.690 . 0 0 "[ . 1 . 2]" 1
52 1 3 TYR QD 1 5 ARG QG 3.950 . 5.950 3.915 2.324 5.143 . 0 0 "[ . 1 . 2]" 1
53 1 3 TYR QD 1 93 TYR H 4.250 . 6.250 6.051 5.462 6.395 0.145 2 0 "[ . 1 . 2]" 1
54 1 3 TYR QE 1 5 ARG QB 5.070 . 7.070 3.779 2.335 5.950 . 0 0 "[ . 1 . 2]" 1
55 1 3 TYR QE 1 5 ARG HD3 4.430 . 6.430 3.759 2.366 5.442 . 0 0 "[ . 1 . 2]" 1
56 1 3 TYR QE 1 5 ARG HD2 4.430 . 6.430 4.356 2.777 5.425 . 0 0 "[ . 1 . 2]" 1
57 1 3 TYR QE 1 5 ARG QD 3.820 . 5.820 3.406 2.348 4.841 . 0 0 "[ . 1 . 2]" 1
58 1 3 TYR QE 1 92 CYS HB3 5.060 . 7.060 4.594 2.985 6.694 . 0 0 "[ . 1 . 2]" 1
59 1 3 TYR QE 1 92 CYS HB2 5.060 . 7.060 4.771 3.202 6.581 . 0 0 "[ . 1 . 2]" 1
60 1 3 TYR H 1 3 TYR HB3 4.050 . 6.050 3.127 2.532 3.522 . 0 0 "[ . 1 . 2]" 1
61 1 3 TYR H 1 3 TYR QD 3.920 . 5.920 3.286 1.941 4.373 . 0 0 "[ . 1 . 2]" 1
62 1 3 TYR H 1 44 PHE HZ 5.080 . 7.080 5.019 3.714 6.836 . 0 0 "[ . 1 . 2]" 1
63 1 3 TYR H 1 4 HIS H 4.620 . 6.620 4.379 4.184 4.556 . 0 0 "[ . 1 . 2]" 1
64 1 3 TYR H 1 91 TYR HB2 4.970 . 6.970 6.510 4.909 7.070 0.100 2 0 "[ . 1 . 2]" 1
65 1 3 TYR H 1 92 CYS H 4.060 . 6.060 4.232 3.428 5.433 . 0 0 "[ . 1 . 2]" 1
66 1 3 TYR H 1 94 ASN H 5.220 . 7.220 5.023 3.349 6.023 . 0 0 "[ . 1 . 2]" 1
67 1 4 HIS HA 1 44 PHE QE 4.010 . 6.010 5.104 4.465 5.857 . 0 0 "[ . 1 . 2]" 1
68 1 4 HIS HA 1 5 ARG QG 4.530 . 6.530 4.652 3.448 5.889 . 0 0 "[ . 1 . 2]" 1
69 1 4 HIS HA 1 5 ARG H 3.300 . 5.300 2.180 2.119 2.255 . 0 0 "[ . 1 . 2]" 1
70 1 4 HIS HA 1 91 TYR QD 4.230 . 6.230 2.956 2.343 3.844 . 0 0 "[ . 1 . 2]" 1
71 1 4 HIS HB3 1 44 PHE QE 4.430 . 6.430 4.853 3.475 6.502 0.072 16 0 "[ . 1 . 2]" 1
72 1 4 HIS HB3 1 91 TYR QE 4.400 . 6.400 4.178 2.466 6.459 0.059 9 0 "[ . 1 . 2]" 1
73 1 4 HIS HB2 1 44 PHE QE 4.430 . 6.430 5.668 3.651 6.468 0.038 1 0 "[ . 1 . 2]" 1
74 1 4 HIS HB2 1 91 TYR QE 4.400 . 6.400 4.187 2.502 6.180 . 0 0 "[ . 1 . 2]" 1
75 1 4 HIS QB 1 46 VAL QG 3.180 . 5.180 3.111 2.095 4.448 . 0 0 "[ . 1 . 2]" 1
76 1 4 HIS QB 1 5 ARG H 3.870 . 5.870 3.104 2.713 3.767 . 0 0 "[ . 1 . 2]" 1
77 1 4 HIS HD2 1 5 ARG H 4.510 . 6.510 5.088 3.886 6.445 . 0 0 "[ . 1 . 2]" 1
78 1 4 HIS HE1 1 46 VAL QG 4.980 . 6.980 5.123 2.139 6.990 0.010 7 0 "[ . 1 . 2]" 1
79 1 4 HIS H 1 44 PHE HZ 4.240 . 6.240 4.395 2.624 5.917 . 0 0 "[ . 1 . 2]" 1
80 1 4 HIS H 1 46 VAL QG 5.340 . 7.340 4.753 3.522 5.854 . 0 0 "[ . 1 . 2]" 1
81 1 4 HIS H 1 4 HIS HB3 3.990 . 5.990 2.805 2.451 3.619 . 0 0 "[ . 1 . 2]" 1
82 1 4 HIS H 1 4 HIS HB2 3.990 . 5.990 3.326 2.453 3.700 . 0 0 "[ . 1 . 2]" 1
83 1 4 HIS H 1 5 ARG H 4.780 . 6.780 4.565 4.407 4.624 . 0 0 "[ . 1 . 2]" 1
84 1 5 ARG HA 1 22 VAL QG 4.990 . 6.990 6.325 5.361 7.156 0.166 9 0 "[ . 1 . 2]" 1
85 1 5 ARG HA 1 5 ARG HD3 3.900 . 5.900 3.947 2.185 4.839 . 0 0 "[ . 1 . 2]" 1
86 1 5 ARG HA 1 5 ARG HD2 3.900 . 5.900 4.150 2.348 5.526 . 0 0 "[ . 1 . 2]" 1
87 1 5 ARG HA 1 5 ARG QD 3.340 . 5.340 3.515 2.136 4.475 . 0 0 "[ . 1 . 2]" 1
88 1 5 ARG HA 1 5 ARG QG 3.780 . 5.780 2.605 2.287 3.342 . 0 0 "[ . 1 . 2]" 1
89 1 5 ARG HA 1 6 GLU H 3.300 . 5.300 2.216 2.121 2.396 . 0 0 "[ . 1 . 2]" 1
90 1 5 ARG QB 1 22 VAL HB 5.200 . 7.200 6.268 4.413 7.321 0.121 1 0 "[ . 1 . 2]" 1
91 1 5 ARG QB 1 22 VAL QG 3.450 . 5.450 4.445 3.366 5.430 . 0 0 "[ . 1 . 2]" 1
92 1 5 ARG QB 1 5 ARG HD3 3.590 . 5.590 2.774 2.296 3.347 . 0 0 "[ . 1 . 2]" 1
93 1 5 ARG QB 1 5 ARG HD2 3.590 . 5.590 2.578 2.293 3.478 . 0 0 "[ . 1 . 2]" 1
94 1 5 ARG QB 1 6 GLU H 3.570 . 5.570 3.122 2.339 3.816 . 0 0 "[ . 1 . 2]" 1
95 1 5 ARG QB 1 90 ALA H 3.890 . 5.890 4.832 3.321 6.001 0.111 4 0 "[ . 1 . 2]" 1
96 1 5 ARG HD3 1 6 GLU H 4.120 . 6.120 4.828 3.078 6.039 . 0 0 "[ . 1 . 2]" 1
97 1 5 ARG HD2 1 6 GLU H 4.120 . 6.120 4.757 3.370 6.001 . 0 0 "[ . 1 . 2]" 1
98 1 5 ARG QD 1 22 VAL QG 4.020 . 6.020 3.337 2.292 4.961 . 0 0 "[ . 1 . 2]" 1
99 1 5 ARG QD 1 6 GLU HA 4.470 . 6.470 5.580 4.933 6.417 . 0 0 "[ . 1 . 2]" 1
100 1 5 ARG QD 1 6 GLU H 3.540 . 5.540 4.199 2.852 5.000 . 0 0 "[ . 1 . 2]" 1
101 1 5 ARG HE 1 93 TYR H 4.560 . 6.560 6.070 4.536 7.204 0.644 6 1 "[ .+ 1 . 2]" 1
102 1 5 ARG QG 1 22 VAL HB 5.410 . 7.410 5.941 4.217 7.334 . 0 0 "[ . 1 . 2]" 1
103 1 5 ARG H 1 48 ALA MB 4.430 . 6.430 5.714 4.419 6.467 0.037 7 0 "[ . 1 . 2]" 1
104 1 5 ARG H 1 5 ARG QB 3.340 . 5.340 2.655 2.342 3.191 . 0 0 "[ . 1 . 2]" 1
105 1 5 ARG H 1 5 ARG HD3 4.390 . 6.390 5.214 4.244 6.450 0.060 7 0 "[ . 1 . 2]" 1
106 1 5 ARG H 1 5 ARG HD2 4.390 . 6.390 5.267 4.256 6.405 0.015 9 0 "[ . 1 . 2]" 1
107 1 5 ARG H 1 5 ARG QD 3.800 . 5.800 4.593 4.020 5.237 . 0 0 "[ . 1 . 2]" 1
108 1 5 ARG H 1 6 GLU H 4.650 . 6.650 4.383 4.199 4.548 . 0 0 "[ . 1 . 2]" 1
109 1 5 ARG H 1 90 ALA MB 4.210 . 6.210 5.591 4.419 6.211 0.001 9 0 "[ . 1 . 2]" 1
110 1 5 ARG H 1 90 ALA H 4.680 . 6.680 5.165 4.196 5.785 . 0 0 "[ . 1 . 2]" 1
111 1 5 ARG H 1 91 TYR HB2 5.210 . 7.210 6.102 3.768 7.286 0.076 4 0 "[ . 1 . 2]" 1
112 1 5 ARG H 1 92 CYS H 4.140 . 6.140 4.769 3.626 5.816 . 0 0 "[ . 1 . 2]" 1
113 1 6 GLU HA 1 14 LEU MD1 4.630 . 6.630 3.935 2.250 6.042 . 0 0 "[ . 1 . 2]" 1
114 1 6 GLU HA 1 14 LEU MD2 4.630 . 6.630 5.181 3.006 6.450 . 0 0 "[ . 1 . 2]" 1
115 1 6 GLU HA 1 14 LEU QD 3.470 . 5.470 3.603 2.244 5.169 . 0 0 "[ . 1 . 2]" 1
116 1 6 GLU HA 1 6 GLU QG 3.570 . 5.570 2.637 2.314 3.508 . 0 0 "[ . 1 . 2]" 1
117 1 6 GLU HA 1 7 ALA MB 3.720 . 5.720 4.077 3.963 4.305 . 0 0 "[ . 1 . 2]" 1
118 1 6 GLU HA 1 7 ALA H 3.460 . 5.460 2.278 2.112 2.594 . 0 0 "[ . 1 . 2]" 1
119 1 6 GLU HA 1 89 ASP HA 4.030 . 6.030 5.103 3.552 6.191 0.161 2 0 "[ . 1 . 2]" 1
120 1 6 GLU HA 1 90 ALA H 4.040 . 6.040 4.784 3.636 6.079 0.039 17 0 "[ . 1 . 2]" 1
121 1 6 GLU QB 1 7 ALA H 3.620 . 5.620 3.295 2.001 3.888 . 0 0 "[ . 1 . 2]" 1
122 1 6 GLU HG3 1 11 LYS HA 4.940 . 6.940 4.286 3.247 6.781 . 0 0 "[ . 1 . 2]" 1
123 1 6 GLU HG2 1 11 LYS HA 4.940 . 6.940 4.652 2.395 7.097 0.157 17 0 "[ . 1 . 2]" 1
124 1 6 GLU QG 1 10 GLY H 5.340 . 7.340 4.874 3.373 6.751 . 0 0 "[ . 1 . 2]" 1
125 1 6 GLU QG 1 11 LYS HA 4.090 . 6.090 3.862 2.347 6.104 0.014 15 0 "[ . 1 . 2]" 1
126 1 6 GLU QG 1 7 ALA MB 2.820 . 3.820 3.549 2.913 4.141 0.321 14 0 "[ . 1 . 2]" 1
127 1 6 GLU QG 1 7 ALA H 4.490 . 6.490 2.550 1.941 3.225 . 0 0 "[ . 1 . 2]" 1
128 1 6 GLU H 1 6 GLU QB 3.700 . 5.700 2.783 2.394 3.284 . 0 0 "[ . 1 . 2]" 1
129 1 6 GLU H 1 6 GLU HG3 4.660 . 6.660 4.521 3.549 4.779 . 0 0 "[ . 1 . 2]" 1
130 1 6 GLU H 1 6 GLU HG2 4.660 . 6.660 4.280 2.525 5.119 . 0 0 "[ . 1 . 2]" 1
131 1 6 GLU H 1 7 ALA H 4.460 . 6.460 4.286 3.947 4.453 . 0 0 "[ . 1 . 2]" 1
132 1 7 ALA HA 1 10 GLY H 4.760 . 6.760 4.434 4.037 4.713 . 0 0 "[ . 1 . 2]" 1
133 1 7 ALA HA 1 14 LEU QD 3.080 . 5.080 3.346 2.377 4.092 . 0 0 "[ . 1 . 2]" 1
134 1 7 ALA HA 1 8 ARG QB 3.700 . 5.700 4.401 4.064 4.612 . 0 0 "[ . 1 . 2]" 1
135 1 7 ALA HA 1 8 ARG H 2.720 . 3.720 2.269 2.131 2.568 . 0 0 "[ . 1 . 2]" 1
136 1 7 ALA HA 1 9 SER H 4.730 . 6.730 4.147 3.765 4.734 . 0 0 "[ . 1 . 2]" 1
137 1 7 ALA MB 1 10 GLY HA3 4.260 . 6.260 3.353 2.381 4.882 . 0 0 "[ . 1 . 2]" 1
138 1 7 ALA MB 1 10 GLY HA2 4.200 . 6.200 3.869 2.878 4.653 . 0 0 "[ . 1 . 2]" 1
139 1 7 ALA MB 1 10 GLY H 3.020 . 5.020 2.573 2.037 2.897 . 0 0 "[ . 1 . 2]" 1
140 1 7 ALA MB 1 14 LEU HB3 4.060 . 6.060 5.150 3.977 6.115 0.055 5 0 "[ . 1 . 2]" 1
141 1 7 ALA MB 1 14 LEU QD 2.610 . 3.610 2.486 1.846 3.332 . 0 0 "[ . 1 . 2]" 1
142 1 7 ALA MB 1 14 LEU HG 3.330 . 5.330 3.718 2.344 5.445 0.115 8 0 "[ . 1 . 2]" 1
143 1 7 ALA MB 1 89 ASP HA 4.590 . 6.590 5.358 4.591 6.232 . 0 0 "[ . 1 . 2]" 1
144 1 7 ALA MB 1 8 ARG H 2.960 . 3.960 2.740 2.077 3.159 . 0 0 "[ . 1 . 2]" 1
145 1 7 ALA MB 1 9 SER HB3 4.290 . 6.290 5.035 3.365 5.925 . 0 0 "[ . 1 . 2]" 1
146 1 7 ALA MB 1 9 SER HB2 3.570 . 5.570 4.690 3.230 5.695 0.125 12 0 "[ . 1 . 2]" 1
147 1 7 ALA MB 1 9 SER H 2.890 . 3.890 2.969 2.476 3.483 . 0 0 "[ . 1 . 2]" 1
148 1 7 ALA H 1 10 GLY H 4.640 . 6.640 4.829 3.575 6.119 . 0 0 "[ . 1 . 2]" 1
149 1 7 ALA H 1 13 LYS H 5.260 . 7.260 5.156 3.565 6.858 . 0 0 "[ . 1 . 2]" 1
150 1 7 ALA H 1 14 LEU QD 4.000 . 6.000 3.242 2.502 4.437 . 0 0 "[ . 1 . 2]" 1
151 1 7 ALA H 1 7 ALA MB 3.160 . 5.160 2.233 2.215 2.252 . 0 0 "[ . 1 . 2]" 1
152 1 7 ALA H 1 89 ASP HA 5.310 . 7.310 5.304 4.294 6.161 . 0 0 "[ . 1 . 2]" 1
153 1 7 ALA H 1 89 ASP QB 5.340 . 7.340 6.024 5.321 7.087 . 0 0 "[ . 1 . 2]" 1
154 1 7 ALA H 1 8 ARG H 4.880 . 6.880 4.573 4.515 4.646 . 0 0 "[ . 1 . 2]" 1
155 1 8 ARG HA 1 8 ARG QB 2.550 . 3.550 2.360 2.173 2.509 . 0 0 "[ . 1 . 2]" 1
156 1 8 ARG HA 1 8 ARG QD 3.420 . 5.420 3.299 2.131 4.464 . 0 0 "[ . 1 . 2]" 1
157 1 8 ARG HA 1 8 ARG HG3 3.650 . 5.650 3.227 2.340 4.267 . 0 0 "[ . 1 . 2]" 1
158 1 8 ARG HA 1 8 ARG HG2 3.650 . 5.650 3.121 2.401 3.818 . 0 0 "[ . 1 . 2]" 1
159 1 8 ARG QB 1 8 ARG QD 3.110 . 5.110 2.265 2.074 2.734 . 0 0 "[ . 1 . 2]" 1
160 1 8 ARG QB 1 9 SER HA 5.050 . 7.050 4.149 3.890 4.392 . 0 0 "[ . 1 . 2]" 1
161 1 8 ARG QB 1 9 SER H 3.000 . 5.000 2.748 2.332 3.454 . 0 0 "[ . 1 . 2]" 1
162 1 8 ARG HD3 1 9 SER H 5.500 . 7.500 5.140 3.879 6.294 . 0 0 "[ . 1 . 2]" 1
163 1 8 ARG HD2 1 9 SER H 5.500 . 7.500 5.120 3.734 6.154 . 0 0 "[ . 1 . 2]" 1
164 1 8 ARG QD 1 9 SER H 4.840 . 6.840 4.518 3.387 5.233 . 0 0 "[ . 1 . 2]" 1
165 1 8 ARG QD 1 8 ARG QG 2.270 . 3.270 2.085 2.017 2.115 . 0 0 "[ . 1 . 2]" 1
166 1 8 ARG H 1 10 GLY H 4.140 . 6.140 3.842 3.480 4.194 . 0 0 "[ . 1 . 2]" 1
167 1 8 ARG H 1 8 ARG QB 2.620 . 3.620 2.406 2.190 2.899 . 0 0 "[ . 1 . 2]" 1
168 1 8 ARG H 1 8 ARG QD 3.980 . 5.980 3.462 1.856 4.723 . 0 0 "[ . 1 . 2]" 1
169 1 8 ARG H 1 8 ARG HG3 4.350 . 6.350 3.322 2.280 4.471 . 0 0 "[ . 1 . 2]" 1
170 1 8 ARG H 1 8 ARG HG2 4.350 . 6.350 3.251 1.901 4.657 . 0 0 "[ . 1 . 2]" 1
171 1 8 ARG H 1 9 SER HB3 4.770 . 6.770 5.594 4.771 6.305 . 0 0 "[ . 1 . 2]" 1
172 1 8 ARG H 1 9 SER H 3.280 . 5.280 2.530 2.404 2.769 . 0 0 "[ . 1 . 2]" 1
173 1 9 SER HA 1 10 GLY H 3.380 . 5.380 3.260 2.918 3.522 . 0 0 "[ . 1 . 2]" 1
174 1 9 SER HA 1 9 SER HB3 2.820 . 3.820 2.503 2.376 3.029 . 0 0 "[ . 1 . 2]" 1
175 1 9 SER HA 1 9 SER HB2 2.830 . 3.830 2.721 2.404 3.027 . 0 0 "[ . 1 . 2]" 1
176 1 9 SER HB2 1 10 GLY H 3.660 . 5.660 3.834 2.769 4.552 . 0 0 "[ . 1 . 2]" 1
177 1 9 SER HB2 1 13 LYS QB 5.340 . 7.340 5.880 3.280 7.483 0.143 9 0 "[ . 1 . 2]" 1
178 1 9 SER HB2 1 13 LYS QD 5.340 . 7.340 5.634 3.726 7.146 . 0 0 "[ . 1 . 2]" 1
179 1 9 SER H 1 10 GLY HA2 4.200 . 6.200 4.933 4.603 5.197 . 0 0 "[ . 1 . 2]" 1
180 1 9 SER H 1 10 GLY H 2.540 . 3.540 2.479 1.964 2.773 . 0 0 "[ . 1 . 2]" 1
181 1 9 SER H 1 14 LEU QD 5.210 . 7.210 5.346 3.873 6.402 . 0 0 "[ . 1 . 2]" 1
182 1 9 SER H 1 9 SER HB3 3.200 . 5.200 3.194 2.502 3.759 . 0 0 "[ . 1 . 2]" 1
183 1 9 SER H 1 9 SER HB2 3.160 . 5.160 3.059 2.405 3.731 . 0 0 "[ . 1 . 2]" 1
184 1 10 GLY HA3 1 11 LYS QG 4.670 . 6.670 4.984 3.710 6.370 . 0 0 "[ . 1 . 2]" 1
185 1 10 GLY HA3 1 11 LYS H 3.090 . 5.090 2.488 2.124 3.553 . 0 0 "[ . 1 . 2]" 1
186 1 10 GLY HA2 1 11 LYS H 3.050 . 5.050 2.846 2.335 3.449 . 0 0 "[ . 1 . 2]" 1
187 1 10 GLY HA2 1 12 TYR H 5.070 . 7.070 5.200 3.643 6.754 . 0 0 "[ . 1 . 2]" 1
188 1 10 GLY HA2 1 13 LYS QG 4.370 . 6.370 5.328 3.920 6.501 0.131 13 0 "[ . 1 . 2]" 1
189 1 10 GLY H 1 10 GLY HA3 2.870 . 3.870 2.693 2.313 2.988 . 0 0 "[ . 1 . 2]" 1
190 1 10 GLY H 1 11 LYS QD 5.190 . 7.190 6.587 5.261 7.280 0.090 20 0 "[ . 1 . 2]" 1
191 1 10 GLY H 1 11 LYS H 3.650 . 5.650 4.007 3.017 4.526 . 0 0 "[ . 1 . 2]" 1
192 1 10 GLY H 1 13 LYS H 4.620 . 6.620 6.196 4.909 6.920 0.300 9 0 "[ . 1 . 2]" 1
193 1 10 GLY H 1 14 LEU QD 4.540 . 6.540 5.359 3.741 6.591 0.051 8 0 "[ . 1 . 2]" 1
194 1 11 LYS HA 1 11 LYS HD3 4.920 . 6.920 4.001 2.265 4.799 . 0 0 "[ . 1 . 2]" 1
195 1 11 LYS HA 1 11 LYS HD2 4.920 . 6.920 4.077 2.326 4.829 . 0 0 "[ . 1 . 2]" 1
196 1 11 LYS HA 1 11 LYS QG 3.490 . 5.490 2.553 2.268 3.333 . 0 0 "[ . 1 . 2]" 1
197 1 11 LYS HA 1 12 TYR QD 5.170 . 7.170 4.358 2.888 5.217 . 0 0 "[ . 1 . 2]" 1
198 1 11 LYS QE 1 12 TYR QE 4.610 . 6.610 4.665 2.371 6.618 0.008 15 0 "[ . 1 . 2]" 1
199 1 11 LYS QE 1 12 TYR H 5.060 . 7.060 5.816 4.223 6.931 . 0 0 "[ . 1 . 2]" 1
200 1 11 LYS HG3 1 12 TYR QD 5.280 . 7.280 4.245 2.372 5.320 . 0 0 "[ . 1 . 2]" 1
201 1 11 LYS HG3 1 12 TYR H 4.450 . 6.450 4.408 2.222 5.861 . 0 0 "[ . 1 . 2]" 1
202 1 11 LYS HG2 1 12 TYR QD 5.280 . 7.280 4.439 2.380 5.772 . 0 0 "[ . 1 . 2]" 1
203 1 11 LYS HG2 1 12 TYR H 4.450 . 6.450 4.418 2.701 5.735 . 0 0 "[ . 1 . 2]" 1
204 1 11 LYS QE 1 11 LYS QG 3.300 . 5.300 2.230 2.123 2.329 . 0 0 "[ . 1 . 2]" 1
205 1 11 LYS QG 1 12 TYR QD 4.550 . 6.550 3.706 2.153 4.822 . 0 0 "[ . 1 . 2]" 1
206 1 11 LYS QG 1 12 TYR H 3.720 . 5.720 3.860 2.124 4.804 . 0 0 "[ . 1 . 2]" 1
207 1 11 LYS H 1 11 LYS HB3 4.040 . 6.040 3.466 2.959 3.951 . 0 0 "[ . 1 . 2]" 1
208 1 11 LYS H 1 11 LYS HB2 4.040 . 6.040 3.185 2.423 4.043 . 0 0 "[ . 1 . 2]" 1
209 1 11 LYS H 1 11 LYS QE 4.710 . 6.710 5.677 4.487 6.607 . 0 0 "[ . 1 . 2]" 1
210 1 11 LYS H 1 11 LYS HG3 4.130 . 6.130 4.052 2.332 5.339 . 0 0 "[ . 1 . 2]" 1
211 1 11 LYS H 1 11 LYS HG2 4.130 . 6.130 4.027 1.996 5.254 . 0 0 "[ . 1 . 2]" 1
212 1 11 LYS H 1 11 LYS QG 3.490 . 5.490 3.490 1.972 4.422 . 0 0 "[ . 1 . 2]" 1
213 1 11 LYS H 1 12 TYR H 4.310 . 6.310 2.908 1.771 4.413 0.029 11 0 "[ . 1 . 2]" 1
214 1 11 LYS H 1 13 LYS QB 2.970 . 3.970 3.674 2.954 4.342 0.372 20 0 "[ . 1 . 2]" 1
215 1 12 TYR HA 1 12 TYR QD 3.470 . 5.470 2.794 2.367 3.661 . 0 0 "[ . 1 . 2]" 1
216 1 12 TYR HA 1 14 LEU H 4.850 . 6.850 3.470 3.225 3.663 . 0 0 "[ . 1 . 2]" 1
217 1 12 TYR HA 1 88 TRP HA 3.810 . 5.810 3.636 2.372 4.919 . 0 0 "[ . 1 . 2]" 1
218 1 12 TYR QB 1 88 TRP HA 4.670 . 6.670 2.838 2.221 3.723 . 0 0 "[ . 1 . 2]" 1
219 1 12 TYR QB 1 88 TRP QB 5.180 . 7.180 4.564 3.405 5.502 . 0 0 "[ . 1 . 2]" 1
220 1 12 TYR QD 1 13 LYS H 4.340 . 6.340 4.759 4.299 4.948 . 0 0 "[ . 1 . 2]" 1
221 1 12 TYR QD 1 88 TRP HA 4.770 . 6.770 3.335 2.415 4.451 . 0 0 "[ . 1 . 2]" 1
222 1 12 TYR QD 1 89 ASP H 5.080 . 7.080 3.335 2.147 4.992 . 0 0 "[ . 1 . 2]" 1
223 1 12 TYR QE 1 48 ALA MB 3.880 . 5.880 3.785 2.373 5.921 0.041 7 0 "[ . 1 . 2]" 1
224 1 12 TYR QE 1 49 ALA H 4.630 . 6.630 4.466 2.632 6.685 0.055 14 0 "[ . 1 . 2]" 1
225 1 12 TYR H 1 12 TYR QD 3.760 . 5.760 2.901 1.924 3.687 . 0 0 "[ . 1 . 2]" 1
226 1 12 TYR H 1 13 LYS QB 3.970 . 5.970 4.428 3.473 4.915 . 0 0 "[ . 1 . 2]" 1
227 1 12 TYR H 1 13 LYS H 4.120 . 6.120 3.070 2.021 3.856 . 0 0 "[ . 1 . 2]" 1
228 1 13 LYS HA 1 13 LYS HD3 3.220 . 5.220 4.184 2.454 4.760 . 0 0 "[ . 1 . 2]" 1
229 1 13 LYS HA 1 13 LYS HD2 3.220 . 5.220 4.318 2.327 5.321 0.101 17 0 "[ . 1 . 2]" 1
230 1 13 LYS HA 1 13 LYS QD 2.790 . 3.790 3.721 2.290 4.217 0.427 5 0 "[ . 1 . 2]" 1
231 1 13 LYS HA 1 13 LYS QG 3.140 . 5.140 2.423 2.255 3.390 . 0 0 "[ . 1 . 2]" 1
232 1 13 LYS HA 1 87 ARG HB3 3.980 . 5.980 2.633 2.319 4.065 . 0 0 "[ . 1 . 2]" 1
233 1 13 LYS HA 1 87 ARG HB2 3.980 . 5.980 3.180 2.370 4.685 . 0 0 "[ . 1 . 2]" 1
234 1 13 LYS HA 1 87 ARG QB 3.430 . 5.430 2.373 2.125 3.065 . 0 0 "[ . 1 . 2]" 1
235 1 13 LYS HA 1 87 ARG HD3 3.640 . 5.640 3.515 2.286 5.062 . 0 0 "[ . 1 . 2]" 1
236 1 13 LYS HA 1 87 ARG HD2 3.640 . 5.640 3.257 2.328 4.627 . 0 0 "[ . 1 . 2]" 1
237 1 13 LYS HA 1 87 ARG QD 3.060 . 5.060 2.794 2.142 3.931 . 0 0 "[ . 1 . 2]" 1
238 1 13 LYS QB 1 13 LYS QD 3.260 . 5.260 2.178 2.103 2.435 . 0 0 "[ . 1 . 2]" 1
239 1 13 LYS QB 1 14 LEU H 3.610 . 5.610 3.850 3.750 4.047 . 0 0 "[ . 1 . 2]" 1
240 1 13 LYS QE 1 13 LYS QG 2.730 . 3.730 2.269 2.118 2.524 . 0 0 "[ . 1 . 2]" 1
241 1 13 LYS H 1 13 LYS HB3 3.680 . 5.680 3.507 2.667 3.891 . 0 0 "[ . 1 . 2]" 1
242 1 13 LYS H 1 13 LYS HB2 3.680 . 5.680 2.776 2.404 3.630 . 0 0 "[ . 1 . 2]" 1
243 1 13 LYS H 1 13 LYS QB 3.130 . 5.130 2.593 2.341 2.766 . 0 0 "[ . 1 . 2]" 1
244 1 13 LYS H 1 13 LYS QG 3.640 . 5.640 3.213 1.949 4.316 . 0 0 "[ . 1 . 2]" 1
245 1 13 LYS H 1 14 LEU MD1 4.750 . 6.750 4.140 2.343 5.522 . 0 0 "[ . 1 . 2]" 1
246 1 13 LYS H 1 14 LEU MD2 4.750 . 6.750 4.340 3.485 6.100 . 0 0 "[ . 1 . 2]" 1
247 1 13 LYS H 1 14 LEU QD 3.950 . 5.950 3.659 2.339 5.090 . 0 0 "[ . 1 . 2]" 1
248 1 13 LYS H 1 14 LEU H 3.580 . 5.580 2.590 2.195 3.417 . 0 0 "[ . 1 . 2]" 1
249 1 13 LYS H 1 87 ARG QD 4.330 . 6.330 5.218 4.513 6.444 0.114 1 0 "[ . 1 . 2]" 1
250 1 14 LEU HA 1 14 LEU QD 3.090 . 5.090 2.287 2.164 3.042 . 0 0 "[ . 1 . 2]" 1
251 1 14 LEU HA 1 14 LEU HG 3.680 . 5.680 2.993 2.336 3.233 . 0 0 "[ . 1 . 2]" 1
252 1 14 LEU HA 1 15 THR MG 4.450 . 6.450 4.258 3.344 5.489 . 0 0 "[ . 1 . 2]" 1
253 1 14 LEU HA 1 15 THR H 3.270 . 5.270 2.132 2.114 2.197 . 0 0 "[ . 1 . 2]" 1
254 1 14 LEU HA 1 18 GLU HB3 4.360 . 6.360 3.842 3.134 4.816 . 0 0 "[ . 1 . 2]" 1
255 1 14 LEU HA 1 18 GLU HB2 4.410 . 6.410 3.705 2.977 4.680 . 0 0 "[ . 1 . 2]" 1
256 1 14 LEU HA 1 18 GLU QG 3.650 . 5.650 3.893 2.745 4.982 . 0 0 "[ . 1 . 2]" 1
257 1 14 LEU HA 1 18 GLU H 5.500 . 7.500 5.514 5.082 5.839 . 0 0 "[ . 1 . 2]" 1
258 1 14 LEU HB3 1 15 THR H 4.320 . 6.320 3.464 2.976 4.150 . 0 0 "[ . 1 . 2]" 1
259 1 14 LEU HB3 1 18 GLU H 4.660 . 6.660 5.805 4.805 6.750 0.090 8 0 "[ . 1 . 2]" 1
260 1 14 LEU HB3 1 19 ALA H 3.960 . 5.960 4.367 3.623 5.782 . 0 0 "[ . 1 . 2]" 1
261 1 14 LEU HB3 1 51 TRP HE1 4.650 . 6.650 6.413 5.488 6.786 0.136 8 0 "[ . 1 . 2]" 1
262 1 14 LEU HB3 1 88 TRP H 4.970 . 6.970 5.156 3.801 6.178 . 0 0 "[ . 1 . 2]" 1
263 1 14 LEU HB3 1 89 ASP HA 4.630 . 6.630 4.692 3.229 5.504 . 0 0 "[ . 1 . 2]" 1
264 1 14 LEU HB3 1 90 ALA MB 4.380 . 6.380 3.113 2.519 4.035 . 0 0 "[ . 1 . 2]" 1
265 1 14 LEU HB2 1 15 THR H 4.360 . 6.360 4.163 3.854 4.358 . 0 0 "[ . 1 . 2]" 1
266 1 14 LEU HB2 1 18 GLU H 4.880 . 6.880 6.899 5.959 7.266 0.386 17 0 "[ . 1 . 2]" 1
267 1 14 LEU MD1 1 89 ASP HA 3.600 . 5.600 3.603 2.649 5.690 0.090 17 0 "[ . 1 . 2]" 1
268 1 14 LEU MD2 1 89 ASP HA 3.600 . 5.600 4.864 3.425 5.659 0.059 6 0 "[ . 1 . 2]" 1
269 1 14 LEU QD 1 15 THR H 3.550 . 5.550 3.627 2.594 4.214 . 0 0 "[ . 1 . 2]" 1
270 1 14 LEU QD 1 18 GLU HA 3.860 . 5.860 5.086 4.077 5.688 . 0 0 "[ . 1 . 2]" 1
271 1 14 LEU QD 1 18 GLU HB2 3.440 . 5.440 3.743 2.317 4.667 . 0 0 "[ . 1 . 2]" 1
272 1 14 LEU QD 1 18 GLU QG 3.250 . 5.250 3.555 2.205 5.087 . 0 0 "[ . 1 . 2]" 1
273 1 14 LEU QD 1 18 GLU H 3.650 . 5.650 5.371 4.171 5.835 0.185 5 0 "[ . 1 . 2]" 1
274 1 14 LEU QD 1 19 ALA H 3.380 . 5.380 4.326 3.000 5.165 . 0 0 "[ . 1 . 2]" 1
275 1 14 LEU QD 1 51 TRP HD1 5.440 . 7.440 5.134 4.470 5.456 . 0 0 "[ . 1 . 2]" 1
276 1 14 LEU QD 1 88 TRP H 4.990 . 6.990 5.111 4.647 5.644 . 0 0 "[ . 1 . 2]" 1
277 1 14 LEU QD 1 89 ASP HA 3.010 . 5.010 3.206 2.637 4.058 . 0 0 "[ . 1 . 2]" 1
278 1 14 LEU QD 1 90 ALA HA 4.620 . 6.620 4.488 3.826 5.224 . 0 0 "[ . 1 . 2]" 1
279 1 14 LEU QD 1 90 ALA MB 2.630 . 3.630 2.290 1.924 2.953 . 0 0 "[ . 1 . 2]" 1
280 1 14 LEU QD 1 90 ALA H 3.630 . 5.630 3.491 2.699 4.124 . 0 0 "[ . 1 . 2]" 1
281 1 14 LEU HG 1 15 THR H 3.600 . 5.600 4.575 2.675 5.233 . 0 0 "[ . 1 . 2]" 1
282 1 14 LEU HG 1 51 TRP HE1 5.500 . 7.500 7.466 6.229 7.653 0.153 5 0 "[ . 1 . 2]" 1
283 1 14 LEU HG 1 89 ASP HA 4.380 . 6.380 4.484 3.431 6.210 . 0 0 "[ . 1 . 2]" 1
284 1 14 LEU H 1 14 LEU HB3 3.860 . 5.860 3.605 2.728 3.863 . 0 0 "[ . 1 . 2]" 1
285 1 14 LEU H 1 14 LEU MD1 4.900 . 6.900 3.859 2.418 4.384 . 0 0 "[ . 1 . 2]" 1
286 1 14 LEU H 1 14 LEU MD2 4.900 . 6.900 3.863 3.427 4.549 . 0 0 "[ . 1 . 2]" 1
287 1 14 LEU H 1 14 LEU QD 3.610 . 5.610 3.356 2.408 3.962 . 0 0 "[ . 1 . 2]" 1
288 1 14 LEU H 1 14 LEU HG 3.820 . 5.820 3.135 2.549 4.578 . 0 0 "[ . 1 . 2]" 1
289 1 14 LEU H 1 15 THR H 4.010 . 6.010 4.357 4.214 4.465 . 0 0 "[ . 1 . 2]" 1
290 1 14 LEU H 1 88 TRP H 4.190 . 6.190 3.142 2.522 3.597 . 0 0 "[ . 1 . 2]" 1
291 1 14 LEU H 1 89 ASP HA 4.960 . 6.960 4.093 3.379 4.835 . 0 0 "[ . 1 . 2]" 1
292 1 15 THR HA 1 15 THR MG 3.220 . 5.220 2.341 2.281 2.488 . 0 0 "[ . 1 . 2]" 1
293 1 15 THR HA 1 51 TRP HE1 3.410 . 5.410 3.021 2.523 4.231 . 0 0 "[ . 1 . 2]" 1
294 1 15 THR HA 1 87 ARG H 5.180 . 7.180 6.097 5.135 7.044 . 0 0 "[ . 1 . 2]" 1
295 1 15 THR HB 1 16 TYR HA 5.000 . 7.000 4.957 4.699 5.323 . 0 0 "[ . 1 . 2]" 1
296 1 15 THR HB 1 17 ALA MB 4.480 . 6.480 3.753 3.149 4.283 . 0 0 "[ . 1 . 2]" 1
297 1 15 THR HB 1 17 ALA H 4.150 . 6.150 3.353 2.927 3.825 . 0 0 "[ . 1 . 2]" 1
298 1 15 THR HB 1 18 GLU H 4.330 . 6.330 3.416 2.527 4.170 . 0 0 "[ . 1 . 2]" 1
299 1 15 THR MG 1 18 GLU QG 3.820 . 5.820 4.184 3.287 5.598 . 0 0 "[ . 1 . 2]" 1
300 1 15 THR MG 1 18 GLU H 5.140 . 7.140 3.958 3.034 4.529 . 0 0 "[ . 1 . 2]" 1
301 1 15 THR MG 1 51 TRP HD1 5.500 . 7.500 4.838 3.913 5.753 . 0 0 "[ . 1 . 2]" 1
302 1 15 THR MG 1 51 TRP HE1 3.800 . 5.800 4.029 3.337 4.933 . 0 0 "[ . 1 . 2]" 1
303 1 15 THR MG 1 85 SER HA 3.250 . 5.250 4.523 3.317 4.933 . 0 0 "[ . 1 . 2]" 1
304 1 15 THR MG 1 85 SER QB 3.830 . 5.830 5.710 4.744 6.000 0.170 7 0 "[ . 1 . 2]" 1
305 1 15 THR MG 1 85 SER H 4.900 . 6.900 6.007 5.041 6.657 . 0 0 "[ . 1 . 2]" 1
306 1 15 THR H 1 15 THR MG 3.250 . 5.250 2.928 2.134 3.859 . 0 0 "[ . 1 . 2]" 1
307 1 15 THR H 1 17 ALA H 4.870 . 6.870 5.362 5.103 5.644 . 0 0 "[ . 1 . 2]" 1
308 1 15 THR H 1 18 GLU HB3 3.890 . 5.890 3.220 1.907 4.338 . 0 0 "[ . 1 . 2]" 1
309 1 15 THR H 1 18 GLU HB2 3.930 . 5.930 2.510 1.927 3.197 . 0 0 "[ . 1 . 2]" 1
310 1 15 THR H 1 18 GLU QG 3.230 . 5.230 3.215 2.359 3.849 . 0 0 "[ . 1 . 2]" 1
311 1 15 THR H 1 18 GLU H 4.220 . 6.220 3.676 3.451 3.962 . 0 0 "[ . 1 . 2]" 1
312 1 15 THR H 1 51 TRP HE1 5.140 . 7.140 5.687 5.149 6.933 . 0 0 "[ . 1 . 2]" 1
313 1 16 TYR HA 1 16 TYR QD 3.470 . 5.470 3.176 2.357 3.728 . 0 0 "[ . 1 . 2]" 1
314 1 16 TYR HA 1 19 ALA MB 3.630 . 5.630 2.687 2.367 2.865 . 0 0 "[ . 1 . 2]" 1
315 1 16 TYR HA 1 20 LYS H 4.420 . 6.420 4.363 3.970 4.697 . 0 0 "[ . 1 . 2]" 1
316 1 16 TYR HA 1 51 TRP HB3 4.870 . 6.870 2.994 2.441 4.182 . 0 0 "[ . 1 . 2]" 1
317 1 16 TYR HA 1 51 TRP HB2 4.870 . 6.870 2.932 2.385 3.821 . 0 0 "[ . 1 . 2]" 1
318 1 16 TYR HA 1 51 TRP QB 4.230 . 6.230 2.571 2.172 3.477 . 0 0 "[ . 1 . 2]" 1
319 1 16 TYR HA 1 51 TRP HE1 5.250 . 7.250 5.306 4.543 6.022 . 0 0 "[ . 1 . 2]" 1
320 1 16 TYR HB3 1 17 ALA H 3.740 . 5.740 3.121 2.288 3.947 . 0 0 "[ . 1 . 2]" 1
321 1 16 TYR HB3 1 51 TRP HA 4.290 . 6.290 5.865 4.941 6.559 0.269 3 0 "[ . 1 . 2]" 1
322 1 16 TYR HB3 1 51 TRP HB3 3.890 . 5.890 3.831 2.707 4.677 . 0 0 "[ . 1 . 2]" 1
323 1 16 TYR HB3 1 51 TRP HB2 3.890 . 5.890 4.628 3.264 5.667 . 0 0 "[ . 1 . 2]" 1
324 1 16 TYR HB3 1 84 ARG HA 4.700 . 6.700 5.084 4.183 6.006 . 0 0 "[ . 1 . 2]" 1
325 1 16 TYR HB3 1 84 ARG HB3 4.140 . 6.140 4.648 3.360 5.473 . 0 0 "[ . 1 . 2]" 1
326 1 16 TYR HB2 1 17 ALA H 3.470 . 5.470 3.644 3.216 3.946 . 0 0 "[ . 1 . 2]" 1
327 1 16 TYR QD 1 17 ALA HA 4.260 . 6.260 3.265 2.698 4.068 . 0 0 "[ . 1 . 2]" 1
328 1 16 TYR QD 1 17 ALA MB 4.420 . 6.420 3.339 2.810 4.234 . 0 0 "[ . 1 . 2]" 1
329 1 16 TYR QD 1 17 ALA H 3.860 . 5.860 2.862 2.309 3.731 . 0 0 "[ . 1 . 2]" 1
330 1 16 TYR QD 1 20 LYS QD 4.370 . 6.370 4.335 2.764 5.991 . 0 0 "[ . 1 . 2]" 1
331 1 16 TYR QD 1 30 LEU QD 4.270 . 6.270 4.378 2.954 5.903 . 0 0 "[ . 1 . 2]" 1
332 1 16 TYR QD 1 51 TRP HA 4.560 . 6.560 5.574 3.948 6.934 0.374 14 0 "[ . 1 . 2]" 1
333 1 16 TYR QD 1 51 TRP HB3 4.630 . 6.630 3.754 2.327 5.743 . 0 0 "[ . 1 . 2]" 1
334 1 16 TYR QD 1 51 TRP HB2 4.630 . 6.630 4.509 2.354 6.318 . 0 0 "[ . 1 . 2]" 1
335 1 16 TYR QD 1 51 TRP QB 3.810 . 5.810 3.520 2.200 5.330 . 0 0 "[ . 1 . 2]" 1
336 1 16 TYR QD 1 51 TRP HE1 5.030 . 7.030 5.526 3.977 7.055 0.025 18 0 "[ . 1 . 2]" 1
337 1 16 TYR QD 1 84 ARG HD3 4.890 . 6.890 5.235 3.466 7.013 0.123 18 0 "[ . 1 . 2]" 1
338 1 16 TYR QD 1 84 ARG HD2 4.890 . 6.890 5.239 2.960 6.607 . 0 0 "[ . 1 . 2]" 1
339 1 16 TYR QD 1 84 ARG QD 4.170 . 6.170 4.509 2.910 5.975 . 0 0 "[ . 1 . 2]" 1
340 1 16 TYR H 1 84 ARG HA 3.510 . 5.510 5.170 4.338 5.627 0.117 11 0 "[ . 1 . 2]" 1
341 1 17 ALA HA 1 19 ALA H 4.290 . 6.290 4.654 4.038 4.875 . 0 0 "[ . 1 . 2]" 1
342 1 17 ALA HA 1 20 LYS QD 3.360 . 5.360 3.710 2.366 5.152 . 0 0 "[ . 1 . 2]" 1
343 1 17 ALA HA 1 20 LYS H 3.420 . 5.420 3.642 3.464 3.836 . 0 0 "[ . 1 . 2]" 1
344 1 17 ALA MB 1 18 GLU QG 3.770 . 5.770 3.903 3.031 5.415 . 0 0 "[ . 1 . 2]" 1
345 1 17 ALA MB 1 18 GLU H 3.000 . 5.000 2.523 2.371 2.652 . 0 0 "[ . 1 . 2]" 1
346 1 17 ALA H 1 17 ALA MB 2.790 . 3.790 2.234 2.214 2.245 . 0 0 "[ . 1 . 2]" 1
347 1 17 ALA H 1 18 GLU H 3.430 . 5.430 2.806 2.750 2.866 . 0 0 "[ . 1 . 2]" 1
348 1 17 ALA H 1 19 ALA MB 5.000 . 7.000 4.898 4.639 5.045 . 0 0 "[ . 1 . 2]" 1
349 1 17 ALA H 1 84 ARG HB3 4.250 . 6.250 6.190 5.283 6.724 0.474 14 0 "[ . 1 . 2]" 1
350 1 18 GLU HA 1 18 GLU HG3 3.510 . 5.510 2.939 2.337 3.728 . 0 0 "[ . 1 . 2]" 1
351 1 18 GLU HA 1 18 GLU HG2 3.510 . 5.510 2.964 2.442 3.727 . 0 0 "[ . 1 . 2]" 1
352 1 18 GLU HA 1 18 GLU QG 2.710 . 3.710 2.510 2.310 2.850 . 0 0 "[ . 1 . 2]" 1
353 1 18 GLU HA 1 21 ALA MB 2.970 . 3.970 2.833 2.543 3.290 . 0 0 "[ . 1 . 2]" 1
354 1 18 GLU HB3 1 19 ALA HA 4.100 . 6.100 4.243 4.072 4.503 . 0 0 "[ . 1 . 2]" 1
355 1 18 GLU HB3 1 20 LYS H 4.440 . 6.440 5.182 4.779 5.703 . 0 0 "[ . 1 . 2]" 1
356 1 18 GLU HB2 1 18 GLU QG 2.590 . 3.590 2.353 2.190 2.426 . 0 0 "[ . 1 . 2]" 1
357 1 18 GLU HB2 1 19 ALA H 3.640 . 5.640 2.904 2.353 4.079 . 0 0 "[ . 1 . 2]" 1
358 1 18 GLU QG 1 19 ALA H 3.160 . 5.160 3.967 3.496 4.659 . 0 0 "[ . 1 . 2]" 1
359 1 18 GLU H 1 18 GLU HB3 4.120 . 6.120 3.285 2.549 3.618 . 0 0 "[ . 1 . 2]" 1
360 1 18 GLU H 1 18 GLU HB2 3.340 . 5.340 2.436 2.213 2.548 . 0 0 "[ . 1 . 2]" 1
361 1 18 GLU H 1 18 GLU QG 2.720 . 3.720 2.907 2.142 4.041 0.321 6 0 "[ . 1 . 2]" 1
362 1 18 GLU H 1 19 ALA H 3.160 . 5.160 2.696 2.552 2.788 . 0 0 "[ . 1 . 2]" 1
363 1 18 GLU H 1 20 LYS H 3.970 . 5.970 4.060 3.953 4.333 . 0 0 "[ . 1 . 2]" 1
364 1 19 ALA HA 1 20 LYS HA 3.900 . 5.900 4.792 4.757 4.849 . 0 0 "[ . 1 . 2]" 1
365 1 19 ALA HA 1 30 LEU QD 2.850 . 3.850 3.774 3.275 3.982 0.132 8 0 "[ . 1 . 2]" 1
366 1 19 ALA HA 1 90 ALA MB 3.390 . 5.390 3.283 2.418 3.764 . 0 0 "[ . 1 . 2]" 1
367 1 19 ALA MB 1 20 LYS H 3.490 . 5.490 2.685 2.558 2.772 . 0 0 "[ . 1 . 2]" 1
368 1 19 ALA MB 1 30 LEU MD1 2.930 . 3.930 2.999 2.127 3.990 0.060 2 0 "[ . 1 . 2]" 1
369 1 19 ALA MB 1 30 LEU MD2 2.930 . 3.930 2.379 2.081 3.827 . 0 0 "[ . 1 . 2]" 1
370 1 19 ALA MB 1 30 LEU QD 2.500 . 3.500 2.195 1.912 2.504 . 0 0 "[ . 1 . 2]" 1
371 1 19 ALA MB 1 51 TRP HB3 3.530 . 5.530 4.023 2.881 5.464 . 0 0 "[ . 1 . 2]" 1
372 1 19 ALA MB 1 51 TRP HB2 3.530 . 5.530 3.164 2.338 4.281 . 0 0 "[ . 1 . 2]" 1
373 1 19 ALA MB 1 51 TRP QB 3.090 . 5.090 3.051 2.251 4.135 . 0 0 "[ . 1 . 2]" 1
374 1 19 ALA MB 1 51 TRP H 3.960 . 5.960 4.407 3.734 4.951 . 0 0 "[ . 1 . 2]" 1
375 1 19 ALA MB 1 90 ALA HA 3.940 . 5.940 3.779 3.067 4.299 . 0 0 "[ . 1 . 2]" 1
376 1 19 ALA MB 1 90 ALA MB 2.540 . 3.540 2.131 1.940 2.580 . 0 0 "[ . 1 . 2]" 1
377 1 19 ALA MB 1 91 TYR H 4.370 . 6.370 3.857 3.276 4.402 . 0 0 "[ . 1 . 2]" 1
378 1 19 ALA H 1 19 ALA MB 2.870 . 3.870 2.225 2.189 2.244 . 0 0 "[ . 1 . 2]" 1
379 1 19 ALA H 1 20 LYS H 3.450 . 5.450 2.752 2.526 2.858 . 0 0 "[ . 1 . 2]" 1
380 1 19 ALA H 1 30 LEU QD 4.210 . 6.210 4.509 4.110 4.794 . 0 0 "[ . 1 . 2]" 1
381 1 19 ALA H 1 90 ALA MB 3.880 . 5.880 4.250 3.867 4.746 . 0 0 "[ . 1 . 2]" 1
382 1 20 LYS HA 1 20 LYS QD 4.800 . 6.800 3.477 2.218 4.171 . 0 0 "[ . 1 . 2]" 1
383 1 20 LYS HA 1 20 LYS QG 2.990 . 3.990 2.415 2.242 2.887 . 0 0 "[ . 1 . 2]" 1
384 1 20 LYS HA 1 23 CYS HB3 5.210 . 7.210 4.345 3.043 5.163 . 0 0 "[ . 1 . 2]" 1
385 1 20 LYS HA 1 23 CYS HB2 5.210 . 7.210 3.499 2.662 4.493 . 0 0 "[ . 1 . 2]" 1
386 1 20 LYS HA 1 23 CYS QB 4.440 . 6.440 3.190 2.637 4.044 . 0 0 "[ . 1 . 2]" 1
387 1 20 LYS HA 1 23 CYS H 4.040 . 6.040 3.603 3.343 3.866 . 0 0 "[ . 1 . 2]" 1
388 1 20 LYS HA 1 24 GLU HG3 4.310 . 6.310 5.433 3.462 6.448 0.138 12 0 "[ . 1 . 2]" 1
389 1 20 LYS HA 1 24 GLU HG2 4.390 . 6.390 5.784 3.746 6.504 0.114 5 0 "[ . 1 . 2]" 1
390 1 20 LYS HA 1 30 LEU QB 4.880 . 6.880 5.327 4.861 5.760 . 0 0 "[ . 1 . 2]" 1
391 1 20 LYS HA 1 30 LEU MD1 3.350 . 5.350 2.861 2.287 3.642 . 0 0 "[ . 1 . 2]" 1
392 1 20 LYS HA 1 30 LEU MD2 3.350 . 5.350 2.991 2.290 3.517 . 0 0 "[ . 1 . 2]" 1
393 1 20 LYS HA 1 30 LEU QD 2.910 . 3.910 2.524 2.155 2.944 . 0 0 "[ . 1 . 2]" 1
394 1 20 LYS HA 1 30 LEU HG 3.380 . 5.380 3.881 2.893 4.898 . 0 0 "[ . 1 . 2]" 1
395 1 20 LYS HA 1 30 LEU H 4.910 . 6.910 5.325 4.848 5.650 . 0 0 "[ . 1 . 2]" 1
396 1 20 LYS HB3 1 21 ALA H 4.610 . 6.610 3.310 2.610 4.000 . 0 0 "[ . 1 . 2]" 1
397 1 20 LYS HB2 1 21 ALA H 4.610 . 6.610 3.281 2.585 3.981 . 0 0 "[ . 1 . 2]" 1
398 1 20 LYS QB 1 20 LYS QE 4.120 . 6.120 3.107 2.160 3.855 . 0 0 "[ . 1 . 2]" 1
399 1 20 LYS QB 1 20 LYS QG 2.310 . 3.310 2.095 2.050 2.116 . 0 0 "[ . 1 . 2]" 1
400 1 20 LYS QB 1 21 ALA HA 3.870 . 5.870 3.957 3.838 4.128 . 0 0 "[ . 1 . 2]" 1
401 1 20 LYS QB 1 21 ALA H 3.830 . 5.830 2.736 2.531 2.944 . 0 0 "[ . 1 . 2]" 1
402 1 20 LYS QB 1 23 CYS QB 4.760 . 6.760 4.955 4.486 5.641 . 0 0 "[ . 1 . 2]" 1
403 1 20 LYS QB 1 23 CYS H 3.680 . 5.680 5.000 4.757 5.261 . 0 0 "[ . 1 . 2]" 1
404 1 20 LYS QB 1 24 GLU HG2 4.540 . 6.540 5.845 4.282 6.695 0.155 5 0 "[ . 1 . 2]" 1
405 1 20 LYS QB 1 30 LEU QD 3.080 . 5.080 3.446 2.677 4.010 . 0 0 "[ . 1 . 2]" 1
406 1 20 LYS QD 1 30 LEU QD 2.790 . 3.790 3.330 2.069 3.904 0.114 7 0 "[ . 1 . 2]" 1
407 1 20 LYS QE 1 20 LYS QG 3.300 . 5.300 2.268 2.119 2.695 . 0 0 "[ . 1 . 2]" 1
408 1 20 LYS QG 1 21 ALA H 3.380 . 5.380 4.092 3.763 4.280 . 0 0 "[ . 1 . 2]" 1
409 1 20 LYS QG 1 24 GLU HG2 4.390 . 6.390 5.330 3.243 6.573 0.183 7 0 "[ . 1 . 2]" 1
410 1 20 LYS H 1 20 LYS HB3 4.050 . 6.050 3.184 2.548 3.618 . 0 0 "[ . 1 . 2]" 1
411 1 20 LYS H 1 20 LYS HB2 4.050 . 6.050 2.404 2.270 2.543 . 0 0 "[ . 1 . 2]" 1
412 1 20 LYS H 1 20 LYS QB 3.550 . 5.550 2.310 2.171 2.494 . 0 0 "[ . 1 . 2]" 1
413 1 20 LYS H 1 20 LYS QD 2.880 . 3.880 4.010 3.583 4.428 0.548 10 2 "[ - + . 2]" 1
414 1 20 LYS H 1 20 LYS QG 3.090 . 5.090 3.080 2.066 4.093 . 0 0 "[ . 1 . 2]" 1
415 1 20 LYS H 1 21 ALA H 3.410 . 5.410 2.556 2.491 2.711 . 0 0 "[ . 1 . 2]" 1
416 1 20 LYS H 1 30 LEU MD1 4.210 . 6.210 3.908 3.252 4.476 . 0 0 "[ . 1 . 2]" 1
417 1 20 LYS H 1 30 LEU MD2 4.210 . 6.210 3.929 3.542 4.494 . 0 0 "[ . 1 . 2]" 1
418 1 20 LYS H 1 30 LEU QD 3.440 . 5.440 3.452 3.099 3.837 . 0 0 "[ . 1 . 2]" 1
419 1 20 LYS H 1 51 TRP QB 5.340 . 7.340 5.741 4.998 6.559 . 0 0 "[ . 1 . 2]" 1
420 1 21 ALA HA 1 24 GLU HB3 3.830 . 5.830 5.526 4.850 6.298 0.468 3 0 "[ . 1 . 2]" 1
421 1 21 ALA HA 1 24 GLU HG2 5.500 . 7.500 6.965 5.494 7.515 0.015 18 0 "[ . 1 . 2]" 1
422 1 21 ALA MB 1 22 VAL HA 4.580 . 6.580 3.788 3.762 3.853 . 0 0 "[ . 1 . 2]" 1
423 1 21 ALA MB 1 22 VAL H 2.980 . 3.980 2.315 2.212 2.445 . 0 0 "[ . 1 . 2]" 1
424 1 21 ALA H 1 21 ALA MB 2.690 . 3.690 2.238 2.227 2.256 . 0 0 "[ . 1 . 2]" 1
425 1 21 ALA H 1 22 VAL H 3.090 . 5.090 2.774 2.724 2.859 . 0 0 "[ . 1 . 2]" 1
426 1 22 VAL HA 1 22 VAL MG1 3.130 . 5.130 2.509 2.294 3.215 . 0 0 "[ . 1 . 2]" 1
427 1 22 VAL HA 1 22 VAL MG2 3.130 . 5.130 2.643 2.306 3.200 . 0 0 "[ . 1 . 2]" 1
428 1 22 VAL HA 1 22 VAL QG 2.570 . 3.570 2.192 2.080 2.302 . 0 0 "[ . 1 . 2]" 1
429 1 22 VAL HA 1 25 PHE HB3 3.630 . 5.630 4.875 4.354 5.540 . 0 0 "[ . 1 . 2]" 1
430 1 22 VAL HA 1 25 PHE HB2 4.120 . 6.120 4.696 4.143 6.218 0.098 20 0 "[ . 1 . 2]" 1
431 1 22 VAL HA 1 25 PHE H 4.410 . 6.410 5.410 5.198 5.866 . 0 0 "[ . 1 . 2]" 1
432 1 22 VAL HB 1 23 CYS H 3.250 . 5.250 3.337 2.519 4.103 . 0 0 "[ . 1 . 2]" 1
433 1 22 VAL QG 1 23 CYS HA 3.810 . 5.810 3.582 3.264 3.783 . 0 0 "[ . 1 . 2]" 1
434 1 22 VAL QG 1 23 CYS QB 3.980 . 5.980 3.455 2.388 4.518 . 0 0 "[ . 1 . 2]" 1
435 1 22 VAL QG 1 23 CYS H 3.160 . 5.160 2.652 1.912 3.437 . 0 0 "[ . 1 . 2]" 1
436 1 22 VAL QG 1 25 PHE HB3 4.940 . 6.940 5.258 4.799 5.949 . 0 0 "[ . 1 . 2]" 1
437 1 22 VAL QG 1 25 PHE HB2 4.890 . 6.890 5.318 4.889 6.059 . 0 0 "[ . 1 . 2]" 1
438 1 22 VAL H 1 22 VAL HB 2.840 . 3.840 2.910 2.493 3.601 . 0 0 "[ . 1 . 2]" 1
439 1 22 VAL H 1 22 VAL MG1 3.100 . 5.100 2.852 1.896 3.766 . 0 0 "[ . 1 . 2]" 1
440 1 22 VAL H 1 22 VAL MG2 3.100 . 5.100 2.285 1.784 3.775 0.016 3 0 "[ . 1 . 2]" 1
441 1 22 VAL H 1 23 CYS QB 4.370 . 6.370 4.749 4.443 5.150 . 0 0 "[ . 1 . 2]" 1
442 1 22 VAL H 1 23 CYS H 2.980 . 3.980 2.661 2.431 2.747 . 0 0 "[ . 1 . 2]" 1
443 1 23 CYS HA 1 92 CYS HA 4.830 . 6.830 5.464 4.512 6.410 . 0 0 "[ . 1 . 2]" 1
444 1 23 CYS HA 1 92 CYS QB 4.710 . 6.710 4.404 3.063 5.174 . 0 0 "[ . 1 . 2]" 1
445 1 23 CYS HB3 1 24 GLU H 3.150 . 5.150 2.395 2.074 3.180 . 0 0 "[ . 1 . 2]" 1
446 1 23 CYS HB3 1 30 LEU HG 5.500 . 7.500 3.916 2.656 5.246 . 0 0 "[ . 1 . 2]" 1
447 1 23 CYS HB2 1 24 GLU H 3.150 . 5.150 3.448 2.897 3.925 . 0 0 "[ . 1 . 2]" 1
448 1 23 CYS HB2 1 30 LEU HG 5.500 . 7.500 3.799 2.400 4.979 . 0 0 "[ . 1 . 2]" 1
449 1 23 CYS QB 1 29 HIS HA 3.510 . 5.510 3.568 2.586 4.487 . 0 0 "[ . 1 . 2]" 1
450 1 23 CYS QB 1 29 HIS QB 3.940 . 5.940 5.042 4.235 5.976 0.036 13 0 "[ . 1 . 2]" 1
451 1 23 CYS QB 1 29 HIS H 4.310 . 6.310 4.397 2.724 5.673 . 0 0 "[ . 1 . 2]" 1
452 1 23 CYS QB 1 30 LEU H 3.940 . 5.940 3.816 3.522 4.149 . 0 0 "[ . 1 . 2]" 1
453 1 23 CYS QB 1 92 CYS HA 4.130 . 6.130 3.690 3.083 4.274 . 0 0 "[ . 1 . 2]" 1
454 1 23 CYS QB 1 92 CYS QB 4.070 . 6.070 3.652 2.311 4.386 . 0 0 "[ . 1 . 2]" 1
455 1 23 CYS H 1 23 CYS HB3 3.340 . 5.340 3.475 2.640 3.749 . 0 0 "[ . 1 . 2]" 1
456 1 23 CYS H 1 23 CYS HB2 3.340 . 5.340 2.541 2.288 2.812 . 0 0 "[ . 1 . 2]" 1
457 1 23 CYS H 1 23 CYS QB 2.910 . 3.910 2.465 2.262 2.736 . 0 0 "[ . 1 . 2]" 1
458 1 23 CYS H 1 25 PHE H 4.760 . 6.760 4.331 4.118 4.861 . 0 0 "[ . 1 . 2]" 1
459 1 23 CYS H 1 30 LEU H 4.690 . 6.690 6.844 6.698 7.203 0.513 1 1 "[+ . 1 . 2]" 1
460 1 24 GLU HA 1 24 GLU HG3 3.300 . 5.300 2.641 2.353 3.787 . 0 0 "[ . 1 . 2]" 1
461 1 24 GLU HA 1 24 GLU HG2 3.800 . 5.800 2.893 2.458 3.614 . 0 0 "[ . 1 . 2]" 1
462 1 24 GLU HA 1 26 GLU H 4.970 . 6.970 4.327 3.937 4.675 . 0 0 "[ . 1 . 2]" 1
463 1 24 GLU HA 1 27 GLY H 3.830 . 5.830 3.485 2.887 3.914 . 0 0 "[ . 1 . 2]" 1
464 1 24 GLU HA 1 28 GLY H 3.480 . 5.480 3.184 1.884 3.906 . 0 0 "[ . 1 . 2]" 1
465 1 24 GLU HB3 1 25 PHE HB3 4.990 . 6.990 5.786 4.885 6.482 . 0 0 "[ . 1 . 2]" 1
466 1 24 GLU HB2 1 25 PHE H 4.270 . 6.270 3.777 3.026 4.286 . 0 0 "[ . 1 . 2]" 1
467 1 24 GLU HB2 1 28 GLY H 4.730 . 6.730 5.745 4.868 6.687 . 0 0 "[ . 1 . 2]" 1
468 1 24 GLU HG3 1 25 PHE H 4.860 . 6.860 4.888 4.471 5.203 . 0 0 "[ . 1 . 2]" 1
469 1 24 GLU HG3 1 29 HIS HA 3.690 . 5.690 3.624 2.379 4.690 . 0 0 "[ . 1 . 2]" 1
470 1 24 GLU HG3 1 30 LEU H 4.050 . 6.050 5.034 3.339 6.142 0.092 9 0 "[ . 1 . 2]" 1
471 1 24 GLU HG2 1 29 HIS HA 4.350 . 6.350 4.399 2.373 5.903 . 0 0 "[ . 1 . 2]" 1
472 1 24 GLU H 1 24 GLU HB3 3.980 . 5.980 3.896 3.671 4.178 . 0 0 "[ . 1 . 2]" 1
473 1 24 GLU H 1 24 GLU HB2 3.990 . 5.990 3.383 3.136 3.749 . 0 0 "[ . 1 . 2]" 1
474 1 24 GLU H 1 24 GLU HG3 4.290 . 6.290 4.002 2.954 4.508 . 0 0 "[ . 1 . 2]" 1
475 1 24 GLU H 1 24 GLU HG2 4.060 . 6.060 4.429 2.997 4.952 . 0 0 "[ . 1 . 2]" 1
476 1 24 GLU H 1 25 PHE HB3 3.940 . 5.940 4.992 4.798 5.378 . 0 0 "[ . 1 . 2]" 1
477 1 24 GLU H 1 25 PHE HB2 3.680 . 5.680 5.457 5.152 6.070 0.390 20 0 "[ . 1 . 2]" 1
478 1 24 GLU H 1 25 PHE H 3.540 . 5.540 2.972 2.515 3.392 . 0 0 "[ . 1 . 2]" 1
479 1 24 GLU H 1 26 GLU H 3.280 . 5.280 3.994 3.748 4.158 . 0 0 "[ . 1 . 2]" 1
480 1 25 PHE HA 1 25 PHE QD 3.470 . 5.470 2.789 2.604 3.698 . 0 0 "[ . 1 . 2]" 1
481 1 25 PHE HB3 1 26 GLU HG3 5.130 . 7.130 5.225 3.202 5.606 . 0 0 "[ . 1 . 2]" 1
482 1 25 PHE HB3 1 26 GLU H 4.480 . 6.480 2.509 2.361 3.833 . 0 0 "[ . 1 . 2]" 1
483 1 25 PHE HB2 1 26 GLU HB2 5.110 . 7.110 7.083 6.685 7.161 0.051 18 0 "[ . 1 . 2]" 1
484 1 25 PHE HB2 1 26 GLU H 4.630 . 6.630 3.799 3.730 3.916 . 0 0 "[ . 1 . 2]" 1
485 1 25 PHE QD 1 26 GLU HG3 3.580 . 5.580 5.275 3.290 5.602 0.022 17 0 "[ . 1 . 2]" 1
486 1 25 PHE QD 1 26 GLU HG2 4.120 . 6.120 4.642 4.148 5.641 . 0 0 "[ . 1 . 2]" 1
487 1 25 PHE QE 1 26 GLU HA 4.270 . 6.270 4.710 3.992 4.950 . 0 0 "[ . 1 . 2]" 1
488 1 25 PHE QE 1 26 GLU HB2 4.320 . 6.320 5.939 4.148 6.328 0.008 15 0 "[ . 1 . 2]" 1
489 1 25 PHE H 1 25 PHE HB3 3.870 . 5.870 2.491 2.438 2.545 . 0 0 "[ . 1 . 2]" 1
490 1 25 PHE H 1 25 PHE HB2 3.720 . 5.720 2.545 2.431 3.577 . 0 0 "[ . 1 . 2]" 1
491 1 25 PHE H 1 26 GLU H 4.350 . 6.350 2.730 2.517 2.794 . 0 0 "[ . 1 . 2]" 1
492 1 25 PHE H 1 27 GLY H 4.740 . 6.740 3.908 3.709 4.090 . 0 0 "[ . 1 . 2]" 1
493 1 26 GLU HA 1 26 GLU HG3 3.170 . 5.170 3.862 3.616 4.266 . 0 0 "[ . 1 . 2]" 1
494 1 26 GLU HB3 1 26 GLU HG3 2.810 . 3.810 2.860 2.442 3.036 . 0 0 "[ . 1 . 2]" 1
495 1 26 GLU HB3 1 27 GLY H 4.110 . 6.110 4.536 4.289 4.642 . 0 0 "[ . 1 . 2]" 1
496 1 26 GLU HB2 1 28 GLY H 4.580 . 6.580 4.326 3.925 5.637 . 0 0 "[ . 1 . 2]" 1
497 1 26 GLU HG3 1 27 GLY H 4.020 . 6.020 4.121 3.468 5.051 . 0 0 "[ . 1 . 2]" 1
498 1 26 GLU HG2 1 27 GLY H 4.590 . 6.590 3.868 2.596 5.182 . 0 0 "[ . 1 . 2]" 1
499 1 26 GLU HG2 1 28 GLY QA 4.410 . 6.410 3.706 3.047 4.418 . 0 0 "[ . 1 . 2]" 1
500 1 26 GLU HG2 1 28 GLY H 4.580 . 6.580 2.949 1.889 4.241 . 0 0 "[ . 1 . 2]" 1
501 1 26 GLU HG2 1 29 HIS H 4.320 . 6.320 6.025 5.374 6.379 0.059 15 0 "[ . 1 . 2]" 1
502 1 26 GLU H 1 26 GLU HB3 3.860 . 5.860 2.835 2.633 3.130 . 0 0 "[ . 1 . 2]" 1
503 1 26 GLU H 1 26 GLU HG3 4.040 . 6.040 3.098 1.785 3.652 0.015 15 0 "[ . 1 . 2]" 1
504 1 26 GLU H 1 27 GLY HA3 5.210 . 7.210 5.196 5.058 5.335 . 0 0 "[ . 1 . 2]" 1
505 1 26 GLU H 1 27 GLY HA2 5.210 . 7.210 4.966 4.806 5.128 . 0 0 "[ . 1 . 2]" 1
506 1 26 GLU H 1 27 GLY QA 4.440 . 6.440 4.518 4.384 4.646 . 0 0 "[ . 1 . 2]" 1
507 1 26 GLU H 1 27 GLY H 3.670 . 5.670 2.680 2.360 2.913 . 0 0 "[ . 1 . 2]" 1
508 1 26 GLU H 1 28 GLY H 4.140 . 6.140 3.315 3.094 3.853 . 0 0 "[ . 1 . 2]" 1
509 1 28 GLY HA3 1 29 HIS H 3.520 . 5.520 2.512 2.247 3.200 . 0 0 "[ . 1 . 2]" 1
510 1 28 GLY HA3 1 94 ASN HA 4.290 . 6.290 4.164 3.170 5.197 . 0 0 "[ . 1 . 2]" 1
511 1 28 GLY HA2 1 29 HIS H 3.520 . 5.520 2.663 2.149 2.938 . 0 0 "[ . 1 . 2]" 1
512 1 28 GLY HA2 1 94 ASN HA 4.290 . 6.290 4.579 2.373 5.993 . 0 0 "[ . 1 . 2]" 1
513 1 28 GLY QA 1 94 ASN HA 3.560 . 5.560 3.749 2.335 4.899 . 0 0 "[ . 1 . 2]" 1
514 1 28 GLY H 1 29 HIS HA 5.230 . 7.230 5.318 4.695 5.502 . 0 0 "[ . 1 . 2]" 1
515 1 28 GLY H 1 29 HIS H 4.440 . 6.440 4.406 4.189 4.614 . 0 0 "[ . 1 . 2]" 1
516 1 28 GLY H 1 94 ASN QB 5.500 . 7.500 6.510 4.865 7.595 0.095 15 0 "[ . 1 . 2]" 1
517 1 28 GLY H 1 94 ASN QD 4.960 . 6.960 5.851 3.827 6.977 0.017 15 0 "[ . 1 . 2]" 1
518 1 29 HIS HA 1 30 LEU H 3.310 . 5.310 2.317 2.129 2.564 . 0 0 "[ . 1 . 2]" 1
519 1 29 HIS HB3 1 30 LEU H 3.590 . 5.590 3.496 2.264 4.305 . 0 0 "[ . 1 . 2]" 1
520 1 29 HIS HB2 1 30 LEU H 3.590 . 5.590 3.499 2.147 4.237 . 0 0 "[ . 1 . 2]" 1
521 1 29 HIS QB 1 29 HIS HE1 4.620 . 6.620 4.479 4.376 4.543 . 0 0 "[ . 1 . 2]" 1
522 1 29 HIS QB 1 30 LEU QB 5.180 . 7.180 4.506 3.886 5.271 . 0 0 "[ . 1 . 2]" 1
523 1 29 HIS QB 1 30 LEU H 3.130 . 5.130 2.942 2.132 3.664 . 0 0 "[ . 1 . 2]" 1
524 1 29 HIS H 1 29 HIS QB 3.650 . 5.650 2.907 2.398 3.311 . 0 0 "[ . 1 . 2]" 1
525 1 29 HIS H 1 30 LEU H 3.930 . 5.930 4.327 3.984 4.565 . 0 0 "[ . 1 . 2]" 1
526 1 29 HIS H 1 92 CYS HA 4.800 . 6.800 5.325 3.357 6.777 . 0 0 "[ . 1 . 2]" 1
527 1 29 HIS H 1 93 TYR QE 5.410 . 7.410 5.665 4.828 7.064 . 0 0 "[ . 1 . 2]" 1
528 1 30 LEU HA 1 31 ALA HA 4.370 . 6.370 4.340 4.312 4.363 . 0 0 "[ . 1 . 2]" 1
529 1 30 LEU HA 1 31 ALA MB 3.900 . 5.900 4.021 3.963 4.081 . 0 0 "[ . 1 . 2]" 1
530 1 30 LEU HA 1 31 ALA H 3.150 . 5.150 2.204 2.169 2.257 . 0 0 "[ . 1 . 2]" 1
531 1 30 LEU HA 1 93 TYR HB2 4.880 . 6.880 4.816 3.456 6.530 . 0 0 "[ . 1 . 2]" 1
532 1 30 LEU HB3 1 53 ALA HA 4.240 . 6.240 4.664 3.038 5.507 . 0 0 "[ . 1 . 2]" 1
533 1 30 LEU HB2 1 53 ALA HA 4.240 . 6.240 3.562 2.367 4.323 . 0 0 "[ . 1 . 2]" 1
534 1 30 LEU QB 1 31 ALA H 4.000 . 6.000 2.936 2.718 3.087 . 0 0 "[ . 1 . 2]" 1
535 1 30 LEU QB 1 52 MET HA 5.080 . 7.080 2.609 2.259 3.175 . 0 0 "[ . 1 . 2]" 1
536 1 30 LEU MD1 1 90 ALA HA 5.300 . 7.300 5.811 4.694 6.870 . 0 0 "[ . 1 . 2]" 1
537 1 30 LEU MD2 1 90 ALA HA 5.300 . 7.300 4.838 3.669 7.367 0.067 1 0 "[ . 1 . 2]" 1
538 1 30 LEU QD 1 31 ALA HA 4.320 . 6.320 5.442 5.112 5.659 . 0 0 "[ . 1 . 2]" 1
539 1 30 LEU QD 1 31 ALA MB 3.020 . 5.020 4.650 4.254 5.070 0.050 19 0 "[ . 1 . 2]" 1
540 1 30 LEU QD 1 31 ALA H 3.740 . 5.740 3.691 3.243 4.228 . 0 0 "[ . 1 . 2]" 1
541 1 30 LEU QD 1 52 MET HA 4.050 . 6.050 2.794 2.248 3.523 . 0 0 "[ . 1 . 2]" 1
542 1 30 LEU QD 1 52 MET HB2 3.390 . 5.390 4.990 4.484 5.487 0.097 16 0 "[ . 1 . 2]" 1
543 1 30 LEU QD 1 53 ALA H 3.850 . 5.850 3.477 2.815 4.105 . 0 0 "[ . 1 . 2]" 1
544 1 30 LEU QD 1 54 LYS H 4.270 . 6.270 4.692 3.516 5.835 . 0 0 "[ . 1 . 2]" 1
545 1 30 LEU QD 1 90 ALA HA 4.240 . 6.240 4.486 3.613 5.358 . 0 0 "[ . 1 . 2]" 1
546 1 30 LEU QD 1 91 TYR HA 4.560 . 6.560 4.983 4.543 5.731 . 0 0 "[ . 1 . 2]" 1
547 1 30 LEU QD 1 91 TYR HB3 4.900 . 6.900 5.248 4.662 5.850 . 0 0 "[ . 1 . 2]" 1
548 1 30 LEU QD 1 91 TYR H 4.000 . 6.000 3.439 2.767 4.334 . 0 0 "[ . 1 . 2]" 1
549 1 30 LEU QD 1 92 CYS HA 3.910 . 5.910 3.142 2.385 3.998 . 0 0 "[ . 1 . 2]" 1
550 1 30 LEU H 1 30 LEU QB 3.280 . 5.280 2.484 2.223 2.730 . 0 0 "[ . 1 . 2]" 1
551 1 30 LEU H 1 30 LEU QD 3.370 . 5.370 2.573 1.761 3.168 0.039 2 0 "[ . 1 . 2]" 1
552 1 30 LEU H 1 30 LEU HG 4.250 . 6.250 2.478 1.792 3.925 0.008 6 0 "[ . 1 . 2]" 1
553 1 30 LEU H 1 31 ALA HA 5.010 . 7.010 5.639 5.459 5.787 . 0 0 "[ . 1 . 2]" 1
554 1 30 LEU H 1 53 ALA HA 5.500 . 7.500 5.326 4.500 6.088 . 0 0 "[ . 1 . 2]" 1
555 1 31 ALA HA 1 32 THR HB 4.700 . 6.700 4.988 4.504 5.725 . 0 0 "[ . 1 . 2]" 1
556 1 31 ALA HA 1 32 THR H 3.170 . 5.170 2.206 2.151 2.314 . 0 0 "[ . 1 . 2]" 1
557 1 31 ALA HA 1 35 GLN QB 4.240 . 6.240 3.263 2.611 5.232 . 0 0 "[ . 1 . 2]" 1
558 1 31 ALA HA 1 36 LEU MD2 4.130 . 6.130 4.813 3.754 6.012 . 0 0 "[ . 1 . 2]" 1
559 1 31 ALA HA 1 93 TYR HB3 3.560 . 5.560 4.244 3.035 5.375 . 0 0 "[ . 1 . 2]" 1
560 1 31 ALA HA 1 93 TYR HB2 3.750 . 5.750 3.673 2.763 4.306 . 0 0 "[ . 1 . 2]" 1
561 1 31 ALA HA 1 93 TYR QE 4.480 . 6.480 6.059 4.488 6.611 0.131 7 0 "[ . 1 . 2]" 1
562 1 31 ALA HA 1 93 TYR H 4.290 . 6.290 5.802 4.284 6.524 0.234 15 0 "[ . 1 . 2]" 1
563 1 31 ALA MB 1 35 GLN HE21 4.240 . 6.240 5.354 3.317 6.311 0.071 3 0 "[ . 1 . 2]" 1
564 1 31 ALA MB 1 91 TYR HB3 3.350 . 5.350 2.989 2.246 4.395 . 0 0 "[ . 1 . 2]" 1
565 1 31 ALA MB 1 91 TYR HB2 3.960 . 5.960 2.924 2.296 4.147 . 0 0 "[ . 1 . 2]" 1
566 1 31 ALA MB 1 92 CYS HA 3.990 . 5.990 4.266 3.558 4.818 . 0 0 "[ . 1 . 2]" 1
567 1 31 ALA MB 1 92 CYS H 3.580 . 5.580 4.217 3.543 5.106 . 0 0 "[ . 1 . 2]" 1
568 1 31 ALA MB 1 93 TYR HB3 3.220 . 5.220 4.224 3.002 5.297 0.077 11 0 "[ . 1 . 2]" 1
569 1 31 ALA MB 1 93 TYR HB2 3.460 . 5.460 3.178 2.303 4.370 . 0 0 "[ . 1 . 2]" 1
570 1 31 ALA MB 1 93 TYR QD 4.220 . 6.220 4.018 2.733 5.087 . 0 0 "[ . 1 . 2]" 1
571 1 31 ALA MB 1 93 TYR H 4.060 . 6.060 4.865 3.599 5.736 . 0 0 "[ . 1 . 2]" 1
572 1 31 ALA H 1 31 ALA MB 3.130 . 5.130 2.220 2.160 2.241 . 0 0 "[ . 1 . 2]" 1
573 1 31 ALA H 1 32 THR H 4.020 . 6.020 4.434 4.009 4.627 . 0 0 "[ . 1 . 2]" 1
574 1 31 ALA H 1 53 ALA H 4.550 . 6.550 5.066 3.647 5.866 . 0 0 "[ . 1 . 2]" 1
575 1 31 ALA H 1 91 TYR HB3 4.060 . 6.060 3.989 3.038 5.424 . 0 0 "[ . 1 . 2]" 1
576 1 31 ALA H 1 91 TYR HB2 4.030 . 6.030 3.574 2.772 5.146 . 0 0 "[ . 1 . 2]" 1
577 1 31 ALA H 1 92 CYS HA 3.610 . 5.610 3.317 2.597 4.179 . 0 0 "[ . 1 . 2]" 1
578 1 31 ALA H 1 93 TYR QD 5.220 . 7.220 5.455 4.141 6.241 . 0 0 "[ . 1 . 2]" 1
579 1 32 THR HA 1 32 THR MG 3.410 . 5.410 2.684 2.271 3.214 . 0 0 "[ . 1 . 2]" 1
580 1 32 THR HA 1 33 TYR H 3.280 . 5.280 2.424 2.218 2.566 . 0 0 "[ . 1 . 2]" 1
581 1 32 THR HA 1 52 MET ME 4.470 . 6.470 3.816 2.494 4.864 . 0 0 "[ . 1 . 2]" 1
582 1 32 THR HA 1 53 ALA MB 3.100 . 5.100 3.335 2.312 4.114 . 0 0 "[ . 1 . 2]" 1
583 1 32 THR HA 1 53 ALA H 3.970 . 5.970 3.504 2.815 4.345 . 0 0 "[ . 1 . 2]" 1
584 1 32 THR HB 1 33 TYR H 3.390 . 5.390 3.235 2.287 3.846 . 0 0 "[ . 1 . 2]" 1
585 1 32 THR HB 1 34 LYS QB 4.930 . 6.930 4.208 2.849 5.159 . 0 0 "[ . 1 . 2]" 1
586 1 32 THR HB 1 34 LYS H 3.610 . 5.610 3.869 2.734 4.835 . 0 0 "[ . 1 . 2]" 1
587 1 32 THR HB 1 35 GLN HG3 4.900 . 6.900 5.064 2.774 7.072 0.172 20 0 "[ . 1 . 2]" 1
588 1 32 THR HB 1 35 GLN H 4.420 . 6.420 3.778 2.401 4.800 . 0 0 "[ . 1 . 2]" 1
589 1 32 THR HB 1 36 LEU H 5.490 . 7.490 5.043 3.928 5.928 . 0 0 "[ . 1 . 2]" 1
590 1 32 THR HB 1 52 MET ME 4.680 . 6.680 5.696 4.235 6.797 0.117 16 0 "[ . 1 . 2]" 1
591 1 32 THR MG 1 33 TYR HA 4.160 . 6.160 4.718 3.916 5.758 . 0 0 "[ . 1 . 2]" 1
592 1 32 THR MG 1 34 LYS H 4.180 . 6.180 2.986 1.807 4.751 . 0 0 "[ . 1 . 2]" 1
593 1 32 THR MG 1 35 GLN HA 4.220 . 6.220 5.073 3.706 6.204 . 0 0 "[ . 1 . 2]" 1
594 1 32 THR MG 1 35 GLN HE21 5.000 . 7.000 4.631 2.170 6.916 . 0 0 "[ . 1 . 2]" 1
595 1 32 THR H 1 32 THR MG 3.270 . 5.270 2.705 1.762 3.922 0.038 4 0 "[ . 1 . 2]" 1
596 1 32 THR H 1 34 LYS QB 5.150 . 7.150 5.306 4.275 6.089 . 0 0 "[ . 1 . 2]" 1
597 1 32 THR H 1 35 GLN HA 4.590 . 6.590 5.281 4.831 6.213 . 0 0 "[ . 1 . 2]" 1
598 1 32 THR H 1 35 GLN QB 3.500 . 5.500 2.380 1.835 4.148 . 0 0 "[ . 1 . 2]" 1
599 1 32 THR H 1 35 GLN HE21 4.610 . 6.610 4.531 2.093 6.228 . 0 0 "[ . 1 . 2]" 1
600 1 32 THR H 1 35 GLN HE22 4.860 . 6.860 5.114 3.319 7.031 0.171 8 0 "[ . 1 . 2]" 1
601 1 32 THR H 1 35 GLN HG2 4.030 . 6.030 4.416 2.231 6.036 0.006 9 0 "[ . 1 . 2]" 1
602 1 32 THR H 1 35 GLN H 4.550 . 6.550 3.706 2.973 4.562 . 0 0 "[ . 1 . 2]" 1
603 1 32 THR H 1 36 LEU MD1 4.810 . 6.810 4.430 3.432 5.786 . 0 0 "[ . 1 . 2]" 1
604 1 32 THR H 1 36 LEU MD2 5.230 . 7.230 5.063 3.090 6.394 . 0 0 "[ . 1 . 2]" 1
605 1 32 THR H 1 36 LEU HG 3.170 . 5.170 3.975 2.972 5.273 0.103 17 0 "[ . 1 . 2]" 1
606 1 32 THR H 1 52 MET HB2 4.130 . 6.130 6.194 4.796 6.467 0.337 9 0 "[ . 1 . 2]" 1
607 1 32 THR H 1 52 MET ME 4.840 . 6.840 5.667 4.402 6.807 . 0 0 "[ . 1 . 2]" 1
608 1 32 THR H 1 93 TYR HB2 4.370 . 6.370 5.642 4.768 6.272 . 0 0 "[ . 1 . 2]" 1
609 1 33 TYR HA 1 33 TYR QD 4.290 . 6.290 3.026 2.678 3.731 . 0 0 "[ . 1 . 2]" 1
610 1 33 TYR HA 1 36 LEU MD1 4.740 . 6.740 2.638 2.296 4.869 . 0 0 "[ . 1 . 2]" 1
611 1 33 TYR HA 1 37 GLU H 4.210 . 6.210 4.052 3.619 4.972 . 0 0 "[ . 1 . 2]" 1
612 1 33 TYR HA 1 52 MET ME 3.070 . 5.070 3.869 2.280 5.090 0.020 18 0 "[ . 1 . 2]" 1
613 1 33 TYR HA 1 75 ILE MG 5.060 . 7.060 4.527 3.659 5.465 . 0 0 "[ . 1 . 2]" 1
614 1 33 TYR HB3 1 34 LYS H 3.700 . 5.700 2.657 2.269 3.642 . 0 0 "[ . 1 . 2]" 1
615 1 33 TYR HB3 1 56 ARG HB2 4.500 . 6.500 6.273 4.940 6.667 0.167 1 0 "[ . 1 . 2]" 1
616 1 33 TYR HB2 1 34 LYS H 3.700 . 5.700 3.867 3.561 4.366 . 0 0 "[ . 1 . 2]" 1
617 1 33 TYR HB2 1 56 ARG HB2 4.500 . 6.500 5.973 5.520 6.690 0.190 13 0 "[ . 1 . 2]" 1
618 1 33 TYR QB 1 34 LYS H 3.100 . 5.100 2.589 2.245 3.261 . 0 0 "[ . 1 . 2]" 1
619 1 33 TYR QB 1 52 MET ME 3.460 . 5.460 3.743 2.117 5.135 . 0 0 "[ . 1 . 2]" 1
620 1 33 TYR QD 1 34 LYS HA 4.200 . 6.200 3.023 2.646 3.586 . 0 0 "[ . 1 . 2]" 1
621 1 33 TYR QD 1 34 LYS H 4.140 . 6.140 3.019 2.639 3.792 . 0 0 "[ . 1 . 2]" 1
622 1 33 TYR QD 1 52 MET ME 3.650 . 5.650 4.467 3.320 5.658 0.008 16 0 "[ . 1 . 2]" 1
623 1 33 TYR QD 1 56 ARG HD2 3.890 . 5.890 5.427 3.851 5.936 0.046 1 0 "[ . 1 . 2]" 1
624 1 33 TYR QD 1 75 ILE MD 4.810 . 6.810 3.926 2.952 4.831 . 0 0 "[ . 1 . 2]" 1
625 1 33 TYR QE 1 75 ILE HB 4.450 . 6.450 3.720 2.397 6.451 0.001 13 0 "[ . 1 . 2]" 1
626 1 33 TYR QE 1 75 ILE MG 3.740 . 5.740 2.546 2.103 4.357 . 0 0 "[ . 1 . 2]" 1
627 1 33 TYR QE 1 77 ASP HB3 5.500 . 7.500 5.190 2.638 7.556 0.056 6 0 "[ . 1 . 2]" 1
628 1 33 TYR QE 1 77 ASP HB2 5.500 . 7.500 5.148 2.522 7.698 0.198 2 0 "[ . 1 . 2]" 1
629 1 33 TYR QE 1 77 ASP QB 4.760 . 6.760 4.462 2.497 6.429 . 0 0 "[ . 1 . 2]" 1
630 1 33 TYR H 1 33 TYR HB3 3.410 . 5.410 2.421 2.144 2.748 . 0 0 "[ . 1 . 2]" 1
631 1 33 TYR H 1 33 TYR HB2 3.410 . 5.410 2.656 2.258 3.562 . 0 0 "[ . 1 . 2]" 1
632 1 33 TYR H 1 33 TYR QD 4.280 . 6.280 3.964 2.011 4.189 . 0 0 "[ . 1 . 2]" 1
633 1 33 TYR H 1 34 LYS H 3.440 . 5.440 2.844 2.632 2.931 . 0 0 "[ . 1 . 2]" 1
634 1 33 TYR H 1 36 LEU HB3 3.670 . 5.670 6.037 5.768 6.161 0.491 9 0 "[ . 1 . 2]" 1
635 1 33 TYR H 1 53 ALA MB 4.830 . 6.830 4.389 3.085 5.260 . 0 0 "[ . 1 . 2]" 1
636 1 33 TYR H 1 56 ARG HB2 3.780 . 5.780 5.643 4.846 6.075 0.295 4 0 "[ . 1 . 2]" 1
637 1 34 LYS HA 1 34 LYS QB 2.610 . 3.610 2.393 2.375 2.419 . 0 0 "[ . 1 . 2]" 1
638 1 34 LYS HA 1 34 LYS QG 3.050 . 5.050 2.424 2.337 2.860 . 0 0 "[ . 1 . 2]" 1
639 1 34 LYS HA 1 37 GLU HB3 5.260 . 7.260 3.452 3.055 4.649 . 0 0 "[ . 1 . 2]" 1
640 1 34 LYS HA 1 37 GLU HB2 4.410 . 6.410 3.892 3.549 5.030 . 0 0 "[ . 1 . 2]" 1
641 1 34 LYS HB3 1 34 LYS QE 4.680 . 6.680 3.792 2.263 4.528 . 0 0 "[ . 1 . 2]" 1
642 1 34 LYS HB2 1 34 LYS QE 4.680 . 6.680 3.574 2.230 4.206 . 0 0 "[ . 1 . 2]" 1
643 1 34 LYS QB 1 34 LYS QE 4.040 . 6.040 3.216 2.173 3.843 . 0 0 "[ . 1 . 2]" 1
644 1 34 LYS QB 1 35 GLN H 3.450 . 5.450 2.377 2.172 2.518 . 0 0 "[ . 1 . 2]" 1
645 1 34 LYS QD 1 34 LYS QG 2.060 . 3.060 2.092 2.033 2.115 . 0 0 "[ . 1 . 2]" 1
646 1 34 LYS QE 1 34 LYS QG 3.140 . 5.140 2.300 2.129 2.625 . 0 0 "[ . 1 . 2]" 1
647 1 34 LYS QG 1 35 GLN H 3.370 . 5.370 3.716 3.342 4.081 . 0 0 "[ . 1 . 2]" 1
648 1 34 LYS H 1 34 LYS HB3 3.610 . 5.610 2.933 2.521 3.606 . 0 0 "[ . 1 . 2]" 1
649 1 34 LYS H 1 34 LYS HB2 3.610 . 5.610 2.454 2.358 2.578 . 0 0 "[ . 1 . 2]" 1
650 1 34 LYS H 1 34 LYS QB 2.810 . 3.810 2.298 2.208 2.463 . 0 0 "[ . 1 . 2]" 1
651 1 34 LYS H 1 34 LYS HG3 4.700 . 6.700 3.646 2.121 4.515 . 0 0 "[ . 1 . 2]" 1
652 1 34 LYS H 1 34 LYS HG2 4.700 . 6.700 4.136 3.358 4.656 . 0 0 "[ . 1 . 2]" 1
653 1 34 LYS H 1 34 LYS QG 4.100 . 6.100 3.344 2.100 4.077 . 0 0 "[ . 1 . 2]" 1
654 1 34 LYS H 1 35 GLN H 3.810 . 5.810 2.781 2.664 2.940 . 0 0 "[ . 1 . 2]" 1
655 1 35 GLN HA 1 35 GLN HE21 4.810 . 6.810 4.447 1.888 5.165 . 0 0 "[ . 1 . 2]" 1
656 1 35 GLN HA 1 35 GLN HG3 3.230 . 5.230 3.108 2.385 3.755 . 0 0 "[ . 1 . 2]" 1
657 1 35 GLN HA 1 35 GLN HG2 4.040 . 6.040 2.833 2.347 3.742 . 0 0 "[ . 1 . 2]" 1
658 1 35 GLN HB3 1 36 LEU H 4.070 . 6.070 3.437 2.623 3.988 . 0 0 "[ . 1 . 2]" 1
659 1 35 GLN HB2 1 36 LEU H 4.070 . 6.070 3.178 2.566 3.996 . 0 0 "[ . 1 . 2]" 1
660 1 35 GLN QB 1 36 LEU H 3.400 . 5.400 2.740 2.508 3.536 . 0 0 "[ . 1 . 2]" 1
661 1 35 GLN HG2 1 36 LEU H 3.880 . 5.880 4.727 2.399 5.154 . 0 0 "[ . 1 . 2]" 1
662 1 35 GLN H 1 35 GLN QB 3.310 . 5.310 2.363 2.251 2.494 . 0 0 "[ . 1 . 2]" 1
663 1 35 GLN H 1 35 GLN HE21 4.520 . 6.520 4.792 2.831 6.328 . 0 0 "[ . 1 . 2]" 1
664 1 35 GLN H 1 35 GLN HG3 4.650 . 6.650 3.243 2.225 4.644 . 0 0 "[ . 1 . 2]" 1
665 1 35 GLN H 1 35 GLN HG2 3.390 . 5.390 3.645 2.106 4.657 . 0 0 "[ . 1 . 2]" 1
666 1 35 GLN H 1 36 LEU HG 3.930 . 5.930 5.064 4.332 6.128 0.198 12 0 "[ . 1 . 2]" 1
667 1 35 GLN H 1 36 LEU H 3.440 . 5.440 2.562 2.511 2.623 . 0 0 "[ . 1 . 2]" 1
668 1 36 LEU HA 1 36 LEU MD1 4.100 . 6.100 3.739 2.293 3.860 . 0 0 "[ . 1 . 2]" 1
669 1 36 LEU HA 1 36 LEU MD2 3.170 . 5.170 2.234 2.199 2.290 . 0 0 "[ . 1 . 2]" 1
670 1 36 LEU HA 1 40 ARG H 3.790 . 5.790 4.313 3.869 4.912 . 0 0 "[ . 1 . 2]" 1
671 1 36 LEU HB3 1 37 GLU H 3.840 . 5.840 3.340 2.908 3.585 . 0 0 "[ . 1 . 2]" 1
672 1 36 LEU HB3 1 75 ILE MD 3.250 . 5.250 4.200 2.425 5.284 0.034 1 0 "[ . 1 . 2]" 1
673 1 36 LEU HB2 1 36 LEU MD1 3.040 . 5.040 2.324 2.249 3.192 . 0 0 "[ . 1 . 2]" 1
674 1 36 LEU HB2 1 36 LEU MD2 3.280 . 5.280 3.179 2.543 3.227 . 0 0 "[ . 1 . 2]" 1
675 1 36 LEU MD1 1 52 MET ME 2.780 . 3.780 2.470 1.919 3.640 . 0 0 "[ . 1 . 2]" 1
676 1 36 LEU MD1 1 52 MET HG3 4.980 . 6.980 4.252 3.406 5.832 . 0 0 "[ . 1 . 2]" 1
677 1 36 LEU MD1 1 52 MET HG2 4.980 . 6.980 3.738 2.231 5.531 . 0 0 "[ . 1 . 2]" 1
678 1 36 LEU MD2 1 37 GLU H 4.980 . 6.980 4.686 4.237 4.834 . 0 0 "[ . 1 . 2]" 1
679 1 36 LEU MD2 1 44 PHE HB3 5.500 . 7.500 4.883 3.788 6.318 . 0 0 "[ . 1 . 2]" 1
680 1 36 LEU MD2 1 44 PHE QD 3.500 . 5.500 3.724 2.648 4.889 . 0 0 "[ . 1 . 2]" 1
681 1 36 LEU MD2 1 44 PHE QE 3.400 . 5.400 3.580 2.600 4.909 . 0 0 "[ . 1 . 2]" 1
682 1 36 LEU MD2 1 52 MET ME 4.350 . 6.350 4.183 3.145 5.302 . 0 0 "[ . 1 . 2]" 1
683 1 36 LEU MD2 1 52 MET QG 5.340 . 7.340 4.890 3.469 6.028 . 0 0 "[ . 1 . 2]" 1
684 1 36 LEU MD2 1 91 TYR HB3 4.530 . 6.530 4.645 3.106 6.382 . 0 0 "[ . 1 . 2]" 1
685 1 36 LEU MD2 1 91 TYR HB2 4.200 . 6.200 4.780 3.389 5.758 . 0 0 "[ . 1 . 2]" 1
686 1 36 LEU HG 1 52 MET ME 4.080 . 6.080 4.556 2.935 5.335 . 0 0 "[ . 1 . 2]" 1
687 1 36 LEU HG 1 75 ILE MG 4.840 . 6.840 6.641 5.904 6.980 0.140 9 0 "[ . 1 . 2]" 1
688 1 36 LEU H 1 36 LEU HB3 3.980 . 5.980 3.478 3.154 3.585 . 0 0 "[ . 1 . 2]" 1
689 1 36 LEU H 1 36 LEU HB2 3.710 . 5.710 2.212 2.084 2.392 . 0 0 "[ . 1 . 2]" 1
690 1 36 LEU H 1 36 LEU MD1 3.940 . 5.940 3.601 3.409 4.155 . 0 0 "[ . 1 . 2]" 1
691 1 36 LEU H 1 36 LEU MD2 3.960 . 5.960 3.901 2.244 4.279 . 0 0 "[ . 1 . 2]" 1
692 1 36 LEU H 1 36 LEU HG 3.120 . 5.120 2.926 2.357 3.856 . 0 0 "[ . 1 . 2]" 1
693 1 37 GLU HA 1 37 GLU HG2 3.060 . 5.060 3.457 3.023 4.291 . 0 0 "[ . 1 . 2]" 1
694 1 37 GLU HA 1 40 ARG HB3 4.060 . 6.060 3.721 2.387 5.109 . 0 0 "[ . 1 . 2]" 1
695 1 37 GLU HA 1 40 ARG HB2 3.510 . 5.510 2.972 2.363 4.202 . 0 0 "[ . 1 . 2]" 1
696 1 37 GLU HA 1 75 ILE MD 3.600 . 5.600 3.174 2.230 3.992 . 0 0 "[ . 1 . 2]" 1
697 1 37 GLU HB3 1 75 ILE MD 4.050 . 6.050 4.705 2.318 5.398 . 0 0 "[ . 1 . 2]" 1
698 1 37 GLU HB2 1 38 ALA H 3.270 . 5.270 3.911 3.719 4.201 . 0 0 "[ . 1 . 2]" 1
699 1 37 GLU HB2 1 75 ILE MD 2.910 . 3.910 3.575 2.276 3.969 0.059 15 0 "[ . 1 . 2]" 1
700 1 37 GLU HG3 1 38 ALA HA 4.800 . 6.800 4.522 3.180 5.357 . 0 0 "[ . 1 . 2]" 1
701 1 37 GLU HG3 1 38 ALA H 4.040 . 6.040 4.136 2.178 4.864 . 0 0 "[ . 1 . 2]" 1
702 1 37 GLU HG2 1 38 ALA HA 3.430 . 5.430 4.428 3.573 5.414 . 0 0 "[ . 1 . 2]" 1
703 1 37 GLU HG2 1 38 ALA H 3.890 . 5.890 4.083 1.942 4.997 . 0 0 "[ . 1 . 2]" 1
704 1 37 GLU H 1 37 GLU HB3 3.870 . 5.870 2.541 2.194 2.738 . 0 0 "[ . 1 . 2]" 1
705 1 37 GLU H 1 37 GLU HB2 3.040 . 5.040 2.600 2.327 3.529 . 0 0 "[ . 1 . 2]" 1
706 1 37 GLU H 1 37 GLU HG3 3.940 . 5.940 4.251 2.880 4.494 . 0 0 "[ . 1 . 2]" 1
707 1 37 GLU H 1 37 GLU HG2 4.820 . 6.820 4.374 2.775 4.641 . 0 0 "[ . 1 . 2]" 1
708 1 37 GLU H 1 38 ALA H 3.480 . 5.480 2.749 2.579 2.908 . 0 0 "[ . 1 . 2]" 1
709 1 37 GLU H 1 39 ALA H 5.500 . 7.500 4.147 3.923 4.441 . 0 0 "[ . 1 . 2]" 1
710 1 37 GLU H 1 75 ILE MD 3.690 . 5.690 4.451 3.007 5.262 . 0 0 "[ . 1 . 2]" 1
711 1 38 ALA MB 1 39 ALA H 3.550 . 5.550 2.698 2.519 2.893 . 0 0 "[ . 1 . 2]" 1
712 1 38 ALA H 1 38 ALA MB 2.750 . 3.750 2.239 2.216 2.262 . 0 0 "[ . 1 . 2]" 1
713 1 38 ALA H 1 39 ALA H 3.350 . 5.350 2.619 2.342 2.792 . 0 0 "[ . 1 . 2]" 1
714 1 38 ALA H 1 40 ARG H 4.140 . 6.140 4.095 3.844 4.414 . 0 0 "[ . 1 . 2]" 1
715 1 38 ALA H 1 75 ILE MD 4.740 . 6.740 5.954 4.662 6.784 0.044 1 0 "[ . 1 . 2]" 1
716 1 39 ALA HA 1 41 LYS H 4.280 . 6.280 3.968 3.506 4.283 . 0 0 "[ . 1 . 2]" 1
717 1 39 ALA HA 1 42 ILE MD 3.420 . 5.420 3.337 2.137 4.565 . 0 0 "[ . 1 . 2]" 1
718 1 39 ALA HA 1 42 ILE QG 3.420 . 5.420 2.970 2.234 5.324 . 0 0 "[ . 1 . 2]" 1
719 1 39 ALA HA 1 42 ILE H 3.810 . 5.810 3.518 3.291 3.842 . 0 0 "[ . 1 . 2]" 1
720 1 39 ALA MB 1 40 ARG H 4.120 . 6.120 2.677 2.423 2.982 . 0 0 "[ . 1 . 2]" 1
721 1 39 ALA MB 1 41 LYS H 4.960 . 6.960 4.435 4.207 4.746 . 0 0 "[ . 1 . 2]" 1
722 1 39 ALA MB 1 42 ILE MD 3.760 . 5.760 4.204 2.798 5.473 . 0 0 "[ . 1 . 2]" 1
723 1 39 ALA MB 1 44 PHE HB3 3.680 . 5.680 3.395 2.551 4.487 . 0 0 "[ . 1 . 2]" 1
724 1 39 ALA MB 1 44 PHE HB2 3.770 . 5.770 2.821 2.195 3.868 . 0 0 "[ . 1 . 2]" 1
725 1 39 ALA MB 1 44 PHE QD 3.740 . 5.740 3.278 2.668 4.384 . 0 0 "[ . 1 . 2]" 1
726 1 39 ALA MB 1 44 PHE H 4.130 . 6.130 4.489 3.944 5.301 . 0 0 "[ . 1 . 2]" 1
727 1 39 ALA H 1 39 ALA MB 2.800 . 3.800 2.264 2.231 2.283 . 0 0 "[ . 1 . 2]" 1
728 1 39 ALA H 1 40 ARG HB3 4.520 . 6.520 5.502 4.604 6.139 . 0 0 "[ . 1 . 2]" 1
729 1 39 ALA H 1 40 ARG HG3 4.930 . 6.930 6.106 5.295 6.885 . 0 0 "[ . 1 . 2]" 1
730 1 39 ALA H 1 40 ARG H 3.520 . 5.520 2.435 2.307 2.595 . 0 0 "[ . 1 . 2]" 1
731 1 39 ALA H 1 41 LYS H 4.780 . 6.780 4.091 3.915 4.512 . 0 0 "[ . 1 . 2]" 1
732 1 40 ARG HA 1 40 ARG HG3 3.500 . 5.500 3.531 2.917 3.878 . 0 0 "[ . 1 . 2]" 1
733 1 40 ARG HA 1 44 PHE HB3 3.740 . 5.740 2.391 2.333 2.576 . 0 0 "[ . 1 . 2]" 1
734 1 40 ARG HA 1 44 PHE HB2 4.110 . 6.110 3.150 2.442 3.731 . 0 0 "[ . 1 . 2]" 1
735 1 40 ARG HA 1 44 PHE H 4.200 . 6.200 2.911 2.683 3.257 . 0 0 "[ . 1 . 2]" 1
736 1 40 ARG HB3 1 41 LYS H 4.500 . 6.500 3.401 2.604 4.077 . 0 0 "[ . 1 . 2]" 1
737 1 40 ARG HB3 1 75 ILE MD 3.820 . 5.820 4.073 3.235 5.193 . 0 0 "[ . 1 . 2]" 1
738 1 40 ARG HB2 1 41 LYS H 4.340 . 6.340 3.301 2.561 4.081 . 0 0 "[ . 1 . 2]" 1
739 1 40 ARG QD 1 41 LYS QG 4.310 . 6.310 5.728 3.953 6.459 0.149 9 0 "[ . 1 . 2]" 1
740 1 40 ARG QD 1 44 PHE HA 4.500 . 6.500 4.938 4.587 5.611 . 0 0 "[ . 1 . 2]" 1
741 1 40 ARG QD 1 44 PHE HB2 2.860 . 3.860 4.022 3.829 4.125 0.265 15 0 "[ . 1 . 2]" 1
742 1 40 ARG QD 1 75 ILE MD 3.890 . 5.890 4.006 2.691 5.534 . 0 0 "[ . 1 . 2]" 1
743 1 40 ARG QD 1 75 ILE QG 4.270 . 6.270 3.780 2.528 4.840 . 0 0 "[ . 1 . 2]" 1
744 1 40 ARG HE 1 74 GLY H 5.250 . 7.250 6.570 4.517 7.641 0.391 1 0 "[ . 1 . 2]" 1
745 1 40 ARG HE 1 75 ILE QG 5.340 . 7.340 4.024 2.206 5.608 . 0 0 "[ . 1 . 2]" 1
746 1 40 ARG HE 1 75 ILE H 4.630 . 6.630 5.667 3.604 6.968 0.338 9 0 "[ . 1 . 2]" 1
747 1 40 ARG HG2 1 75 ILE QG 3.210 . 5.210 4.012 3.153 4.840 . 0 0 "[ . 1 . 2]" 1
748 1 40 ARG H 1 40 ARG HB3 3.290 . 5.290 3.220 2.496 3.645 . 0 0 "[ . 1 . 2]" 1
749 1 40 ARG H 1 40 ARG HB2 4.200 . 6.200 2.490 2.106 2.846 . 0 0 "[ . 1 . 2]" 1
750 1 40 ARG H 1 40 ARG QD 3.550 . 5.550 3.701 2.445 4.560 . 0 0 "[ . 1 . 2]" 1
751 1 40 ARG H 1 40 ARG HE 4.680 . 6.680 5.458 4.255 6.514 . 0 0 "[ . 1 . 2]" 1
752 1 40 ARG H 1 40 ARG HG3 3.140 . 5.140 3.987 3.354 4.575 . 0 0 "[ . 1 . 2]" 1
753 1 40 ARG H 1 41 LYS QG 3.090 . 5.090 4.282 3.661 4.721 . 0 0 "[ . 1 . 2]" 1
754 1 40 ARG H 1 41 LYS H 3.650 . 5.650 2.721 2.678 2.782 . 0 0 "[ . 1 . 2]" 1
755 1 40 ARG H 1 42 ILE H 4.230 . 6.230 4.037 3.860 4.261 . 0 0 "[ . 1 . 2]" 1
756 1 40 ARG H 1 44 PHE HB2 4.620 . 6.620 4.412 4.108 4.902 . 0 0 "[ . 1 . 2]" 1
757 1 40 ARG H 1 44 PHE H 5.190 . 7.190 5.043 4.666 5.556 . 0 0 "[ . 1 . 2]" 1
758 1 40 ARG H 1 75 ILE MD 4.510 . 6.510 5.229 4.188 5.947 . 0 0 "[ . 1 . 2]" 1
759 1 41 LYS HA 1 41 LYS HG3 3.840 . 5.840 3.185 2.840 3.827 . 0 0 "[ . 1 . 2]" 1
760 1 41 LYS HA 1 41 LYS HG2 3.840 . 5.840 2.743 2.402 4.227 . 0 0 "[ . 1 . 2]" 1
761 1 41 LYS HA 1 41 LYS QG 3.040 . 5.040 2.565 2.300 3.428 . 0 0 "[ . 1 . 2]" 1
762 1 41 LYS HA 1 43 GLY H 4.150 . 6.150 3.526 3.323 3.655 . 0 0 "[ . 1 . 2]" 1
763 1 41 LYS HB3 1 41 LYS QE 4.820 . 6.820 3.470 2.218 4.572 . 0 0 "[ . 1 . 2]" 1
764 1 41 LYS HB3 1 42 ILE H 3.520 . 5.520 4.205 3.887 4.481 . 0 0 "[ . 1 . 2]" 1
765 1 41 LYS HB3 1 43 GLY H 4.210 . 6.210 5.236 4.765 5.590 . 0 0 "[ . 1 . 2]" 1
766 1 41 LYS HB2 1 41 LYS QE 4.870 . 6.870 3.751 2.644 4.440 . 0 0 "[ . 1 . 2]" 1
767 1 41 LYS HB2 1 42 ILE H 4.720 . 6.720 3.550 3.090 4.365 . 0 0 "[ . 1 . 2]" 1
768 1 41 LYS H 1 41 LYS HB3 2.990 . 3.990 3.472 2.575 3.632 . 0 0 "[ . 1 . 2]" 1
769 1 41 LYS H 1 41 LYS HB2 3.840 . 5.840 2.607 2.310 3.636 . 0 0 "[ . 1 . 2]" 1
770 1 41 LYS H 1 41 LYS HG3 3.370 . 5.370 2.592 2.188 3.530 . 0 0 "[ . 1 . 2]" 1
771 1 41 LYS H 1 41 LYS HG2 3.370 . 5.370 3.217 1.967 3.889 . 0 0 "[ . 1 . 2]" 1
772 1 41 LYS H 1 41 LYS QG 2.910 . 3.910 2.298 1.915 2.688 . 0 0 "[ . 1 . 2]" 1
773 1 41 LYS H 1 42 ILE HB 4.580 . 6.580 4.789 4.289 5.186 . 0 0 "[ . 1 . 2]" 1
774 1 41 LYS H 1 42 ILE MD 4.030 . 6.030 4.784 4.155 6.066 0.036 9 0 "[ . 1 . 2]" 1
775 1 41 LYS H 1 42 ILE H 3.520 . 5.520 2.586 2.441 2.752 . 0 0 "[ . 1 . 2]" 1
776 1 41 LYS H 1 43 GLY H 3.970 . 5.970 4.329 4.151 4.650 . 0 0 "[ . 1 . 2]" 1
777 1 41 LYS H 1 44 PHE H 4.370 . 6.370 4.898 4.685 5.152 . 0 0 "[ . 1 . 2]" 1
778 1 42 ILE HA 1 42 ILE HB 2.970 . 3.970 2.978 2.649 3.038 . 0 0 "[ . 1 . 2]" 1
779 1 42 ILE HA 1 42 ILE MG 2.800 . 3.800 2.442 2.258 3.220 . 0 0 "[ . 1 . 2]" 1
780 1 42 ILE HA 1 43 GLY HA2 4.500 . 6.500 4.964 4.910 5.010 . 0 0 "[ . 1 . 2]" 1
781 1 42 ILE HB 1 42 ILE MD 2.720 . 3.720 2.723 2.282 3.245 . 0 0 "[ . 1 . 2]" 1
782 1 42 ILE HB 1 43 GLY H 3.790 . 5.790 3.846 3.571 4.374 . 0 0 "[ . 1 . 2]" 1
783 1 42 ILE QG 1 43 GLY H 3.850 . 5.850 4.376 4.254 4.639 . 0 0 "[ . 1 . 2]" 1
784 1 42 ILE QG 1 42 ILE MG 2.670 . 3.670 2.288 2.118 2.470 . 0 0 "[ . 1 . 2]" 1
785 1 42 ILE MG 1 43 GLY HA3 3.690 . 5.690 4.257 3.948 4.530 . 0 0 "[ . 1 . 2]" 1
786 1 42 ILE MG 1 43 GLY HA2 3.450 . 5.450 5.140 4.402 5.456 0.006 16 0 "[ . 1 . 2]" 1
787 1 42 ILE MG 1 43 GLY H 3.260 . 5.260 4.042 3.153 4.313 . 0 0 "[ . 1 . 2]" 1
788 1 42 ILE MG 1 44 PHE H 3.760 . 5.760 4.030 2.276 4.684 . 0 0 "[ . 1 . 2]" 1
789 1 42 ILE MG 1 45 HIS H 4.780 . 6.780 6.571 5.079 6.969 0.189 8 0 "[ . 1 . 2]" 1
790 1 42 ILE H 1 42 ILE HB 3.620 . 5.620 2.576 2.475 2.698 . 0 0 "[ . 1 . 2]" 1
791 1 42 ILE H 1 42 ILE QG 3.060 . 5.060 2.651 1.994 4.171 . 0 0 "[ . 1 . 2]" 1
792 1 42 ILE H 1 42 ILE MG 3.110 . 5.110 3.656 2.461 3.885 . 0 0 "[ . 1 . 2]" 1
793 1 42 ILE H 1 43 GLY HA2 4.150 . 6.150 4.718 4.590 5.025 . 0 0 "[ . 1 . 2]" 1
794 1 42 ILE H 1 43 GLY H 3.100 . 5.100 2.441 2.293 2.883 . 0 0 "[ . 1 . 2]" 1
795 1 43 GLY HA3 1 44 PHE HB3 4.120 . 6.120 6.056 5.898 6.254 0.134 16 0 "[ . 1 . 2]" 1
796 1 43 GLY HA3 1 44 PHE H 3.240 . 5.240 3.454 3.354 3.523 . 0 0 "[ . 1 . 2]" 1
797 1 43 GLY HA3 1 45 HIS HB3 4.240 . 6.240 6.254 5.657 6.497 0.257 9 0 "[ . 1 . 2]" 1
798 1 43 GLY HA3 1 45 HIS HB2 4.240 . 6.240 5.831 5.513 6.044 . 0 0 "[ . 1 . 2]" 1
799 1 43 GLY HA3 1 62 VAL MG1 4.270 . 6.270 5.924 4.886 6.357 0.087 1 0 "[ . 1 . 2]" 1
800 1 43 GLY HA3 1 62 VAL MG2 4.270 . 6.270 5.664 4.778 6.406 0.136 15 0 "[ . 1 . 2]" 1
801 1 43 GLY HA2 1 62 VAL QG 4.290 . 6.290 3.963 3.507 4.300 . 0 0 "[ . 1 . 2]" 1
802 1 43 GLY H 1 43 GLY HA3 2.900 . 3.900 2.917 2.841 2.961 . 0 0 "[ . 1 . 2]" 1
803 1 43 GLY H 1 44 PHE HB2 4.070 . 6.070 4.407 4.163 4.546 . 0 0 "[ . 1 . 2]" 1
804 1 43 GLY H 1 44 PHE H 3.320 . 5.320 2.369 2.252 2.587 . 0 0 "[ . 1 . 2]" 1
805 1 44 PHE HA 1 44 PHE QD 3.610 . 5.610 2.564 2.332 2.923 . 0 0 "[ . 1 . 2]" 1
806 1 44 PHE HA 1 45 HIS H 3.440 . 5.440 2.165 2.134 2.233 . 0 0 "[ . 1 . 2]" 1
807 1 44 PHE HB2 1 45 HIS H 3.920 . 5.920 4.387 4.228 4.570 . 0 0 "[ . 1 . 2]" 1
808 1 44 PHE QD 1 45 HIS H 4.500 . 6.500 3.614 3.373 4.072 . 0 0 "[ . 1 . 2]" 1
809 1 44 PHE QD 1 46 VAL HB 4.540 . 6.540 4.750 3.901 6.305 . 0 0 "[ . 1 . 2]" 1
810 1 44 PHE QD 1 46 VAL MG1 4.440 . 6.440 4.453 2.855 5.486 . 0 0 "[ . 1 . 2]" 1
811 1 44 PHE QD 1 46 VAL MG2 4.440 . 6.440 3.273 2.235 5.506 . 0 0 "[ . 1 . 2]" 1
812 1 44 PHE QD 1 46 VAL QG 3.450 . 5.450 2.984 2.207 3.597 . 0 0 "[ . 1 . 2]" 1
813 1 44 PHE QE 1 46 VAL QG 4.900 . 6.900 2.398 2.080 3.021 . 0 0 "[ . 1 . 2]" 1
814 1 44 PHE H 1 44 PHE HB3 3.280 . 5.280 2.761 2.565 2.995 . 0 0 "[ . 1 . 2]" 1
815 1 44 PHE H 1 44 PHE HB2 3.250 . 5.250 2.303 2.143 2.444 . 0 0 "[ . 1 . 2]" 1
816 1 44 PHE H 1 44 PHE QD 4.130 . 6.130 4.029 3.800 4.169 . 0 0 "[ . 1 . 2]" 1
817 1 44 PHE H 1 45 HIS H 3.800 . 5.800 4.526 4.321 4.624 . 0 0 "[ . 1 . 2]" 1
818 1 45 HIS HB3 1 62 VAL HB 4.200 . 6.200 5.451 4.183 6.433 0.233 15 0 "[ . 1 . 2]" 1
819 1 45 HIS HB2 1 62 VAL HB 4.200 . 6.200 3.932 2.656 5.140 . 0 0 "[ . 1 . 2]" 1
820 1 45 HIS QB 1 62 VAL HB 3.690 . 5.690 3.842 2.628 4.946 . 0 0 "[ . 1 . 2]" 1
821 1 45 HIS QB 1 62 VAL QG 3.440 . 5.440 2.483 2.102 3.532 . 0 0 "[ . 1 . 2]" 1
822 1 45 HIS HD2 1 46 VAL HA 4.500 . 6.500 5.078 4.116 6.338 . 0 0 "[ . 1 . 2]" 1
823 1 45 HIS HE1 1 61 ILE HB 4.580 . 6.580 4.390 2.399 6.602 0.023 9 0 "[ . 1 . 2]" 1
824 1 45 HIS HE1 1 64 PRO HA 3.920 . 5.920 5.445 4.322 6.011 0.091 12 0 "[ . 1 . 2]" 1
825 1 45 HIS H 1 46 VAL QG 3.390 . 5.390 3.175 2.688 4.122 . 0 0 "[ . 1 . 2]" 1
826 1 45 HIS H 1 46 VAL H 5.500 . 7.500 3.962 3.710 4.511 . 0 0 "[ . 1 . 2]" 1
827 1 45 HIS H 1 62 VAL QG 5.090 . 7.090 4.659 4.255 5.028 . 0 0 "[ . 1 . 2]" 1
828 1 46 VAL HA 1 46 VAL MG1 3.390 . 5.390 2.387 2.261 3.230 . 0 0 "[ . 1 . 2]" 1
829 1 46 VAL HA 1 46 VAL MG2 3.390 . 5.390 2.626 2.291 3.230 . 0 0 "[ . 1 . 2]" 1
830 1 46 VAL HA 1 46 VAL QG 2.960 . 3.960 2.147 2.075 2.267 . 0 0 "[ . 1 . 2]" 1
831 1 46 VAL HA 1 47 CYS HA 5.170 . 7.170 4.447 4.406 4.526 . 0 0 "[ . 1 . 2]" 1
832 1 46 VAL HA 1 47 CYS H 3.560 . 5.560 2.174 2.124 2.323 . 0 0 "[ . 1 . 2]" 1
833 1 46 VAL HA 1 61 ILE MG 5.140 . 7.140 5.551 4.229 6.986 . 0 0 "[ . 1 . 2]" 1
834 1 46 VAL HB 1 47 CYS H 5.110 . 7.110 3.878 3.259 4.350 . 0 0 "[ . 1 . 2]" 1
835 1 46 VAL QG 1 47 CYS H 4.300 . 6.300 2.819 1.848 3.671 . 0 0 "[ . 1 . 2]" 1
836 1 46 VAL QG 1 48 ALA HA 4.610 . 6.610 4.728 4.133 5.741 . 0 0 "[ . 1 . 2]" 1
837 1 46 VAL QG 1 48 ALA MB 3.030 . 5.030 2.843 2.169 3.849 . 0 0 "[ . 1 . 2]" 1
838 1 46 VAL QG 1 48 ALA H 4.010 . 6.010 3.035 1.801 3.846 . 0 0 "[ . 1 . 2]" 1
839 1 46 VAL H 1 48 ALA H 5.090 . 7.090 5.435 4.874 5.918 . 0 0 "[ . 1 . 2]" 1
840 1 46 VAL H 1 61 ILE MD 4.850 . 6.850 6.432 5.343 6.920 0.070 11 0 "[ . 1 . 2]" 1
841 1 47 CYS HA 1 61 ILE MD 4.140 . 6.140 4.226 2.829 5.028 . 0 0 "[ . 1 . 2]" 1
842 1 47 CYS QB 1 48 ALA H 4.420 . 6.420 4.001 3.850 4.063 . 0 0 "[ . 1 . 2]" 1
843 1 47 CYS QB 1 61 ILE MD 4.160 . 6.160 4.482 3.533 5.713 . 0 0 "[ . 1 . 2]" 1
844 1 47 CYS H 1 61 ILE MD 4.490 . 6.490 6.266 5.169 6.691 0.201 5 0 "[ . 1 . 2]" 1
845 1 47 CYS H 1 61 ILE MG 4.180 . 6.180 4.943 3.492 6.242 0.062 17 0 "[ . 1 . 2]" 1
846 1 47 CYS H 1 68 CYS QB 5.280 . 7.280 6.160 5.094 6.644 . 0 0 "[ . 1 . 2]" 1
847 1 48 ALA HA 1 49 ALA MB 4.240 . 6.240 4.005 3.872 4.121 . 0 0 "[ . 1 . 2]" 1
848 1 48 ALA HA 1 67 ASN QD 4.340 . 6.340 5.524 3.741 6.349 0.009 7 0 "[ . 1 . 2]" 1
849 1 48 ALA MB 1 49 ALA MB 4.820 . 6.820 4.456 4.238 4.680 . 0 0 "[ . 1 . 2]" 1
850 1 48 ALA MB 1 49 ALA H 3.970 . 5.970 3.246 2.691 3.573 . 0 0 "[ . 1 . 2]" 1
851 1 48 ALA MB 1 90 ALA H 4.240 . 6.240 4.986 3.982 5.658 . 0 0 "[ . 1 . 2]" 1
852 1 48 ALA H 1 49 ALA MB 4.560 . 6.560 4.873 4.452 5.263 . 0 0 "[ . 1 . 2]" 1
853 1 48 ALA H 1 49 ALA H 5.060 . 7.060 3.895 3.472 4.330 . 0 0 "[ . 1 . 2]" 1
854 1 48 ALA H 1 59 TYR HB3 4.450 . 6.450 3.898 3.044 5.169 . 0 0 "[ . 1 . 2]" 1
855 1 48 ALA H 1 59 TYR HB2 4.450 . 6.450 3.567 2.355 6.543 0.093 4 0 "[ . 1 . 2]" 1
856 1 49 ALA HA 1 50 GLY HA2 3.880 . 5.880 4.459 4.434 4.532 . 0 0 "[ . 1 . 2]" 1
857 1 49 ALA HA 1 57 VAL QG 4.730 . 6.730 3.744 2.689 5.352 . 0 0 "[ . 1 . 2]" 1
858 1 49 ALA HA 1 59 TYR QB 4.740 . 6.740 2.850 2.306 4.879 . 0 0 "[ . 1 . 2]" 1
859 1 49 ALA HA 1 91 TYR QE 5.030 . 7.030 3.709 2.390 5.061 . 0 0 "[ . 1 . 2]" 1
860 1 49 ALA MB 1 50 GLY H 4.040 . 6.040 3.052 2.637 3.438 . 0 0 "[ . 1 . 2]" 1
861 1 49 ALA MB 1 57 VAL QG 3.110 . 5.110 2.701 2.010 4.115 . 0 0 "[ . 1 . 2]" 1
862 1 49 ALA MB 1 58 GLY H 4.370 . 6.370 4.220 2.395 6.079 . 0 0 "[ . 1 . 2]" 1
863 1 49 ALA MB 1 59 TYR QB 5.030 . 7.030 3.186 2.291 4.558 . 0 0 "[ . 1 . 2]" 1
864 1 49 ALA MB 1 59 TYR QE 4.230 . 6.230 3.656 2.188 5.444 . 0 0 "[ . 1 . 2]" 1
865 1 49 ALA MB 1 68 CYS HB3 4.210 . 6.210 5.732 4.431 6.307 0.097 16 0 "[ . 1 . 2]" 1
866 1 49 ALA MB 1 68 CYS HB2 4.210 . 6.210 6.030 5.379 6.459 0.249 8 0 "[ . 1 . 2]" 1
867 1 49 ALA MB 1 68 CYS QB 3.640 . 5.640 5.160 4.301 5.581 . 0 0 "[ . 1 . 2]" 1
868 1 49 ALA MB 1 88 TRP HE3 3.410 . 5.410 2.568 2.155 4.404 . 0 0 "[ . 1 . 2]" 1
869 1 49 ALA MB 1 88 TRP HZ2 4.380 . 6.380 5.471 4.576 5.979 . 0 0 "[ . 1 . 2]" 1
870 1 49 ALA MB 1 89 ASP QB 5.340 . 7.340 4.255 3.920 4.664 . 0 0 "[ . 1 . 2]" 1
871 1 49 ALA H 1 50 GLY H 4.710 . 6.710 4.516 4.319 4.630 . 0 0 "[ . 1 . 2]" 1
872 1 50 GLY HA3 1 51 TRP H 3.560 . 5.560 2.698 2.202 2.991 . 0 0 "[ . 1 . 2]" 1
873 1 50 GLY HA3 1 88 TRP HB3 4.430 . 6.430 4.470 4.058 5.252 . 0 0 "[ . 1 . 2]" 1
874 1 50 GLY HA3 1 88 TRP HB2 4.430 . 6.430 5.185 4.487 6.111 . 0 0 "[ . 1 . 2]" 1
875 1 50 GLY HA3 1 88 TRP QB 3.580 . 5.580 4.215 3.818 4.919 . 0 0 "[ . 1 . 2]" 1
876 1 50 GLY HA3 1 89 ASP QB 4.180 . 6.180 2.705 2.389 3.328 . 0 0 "[ . 1 . 2]" 1
877 1 50 GLY HA3 1 89 ASP H 3.650 . 5.650 4.153 3.667 4.763 . 0 0 "[ . 1 . 2]" 1
878 1 50 GLY HA3 1 90 ALA HA 4.420 . 6.420 2.864 2.374 3.571 . 0 0 "[ . 1 . 2]" 1
879 1 50 GLY HA3 1 90 ALA MB 4.880 . 6.880 4.299 3.812 4.996 . 0 0 "[ . 1 . 2]" 1
880 1 50 GLY HA2 1 51 TRP H 3.390 . 5.390 2.425 2.188 2.989 . 0 0 "[ . 1 . 2]" 1
881 1 50 GLY HA2 1 88 TRP QB 4.680 . 6.680 2.652 2.293 3.330 . 0 0 "[ . 1 . 2]" 1
882 1 50 GLY HA2 1 90 ALA HA 4.340 . 6.340 3.689 3.131 4.295 . 0 0 "[ . 1 . 2]" 1
883 1 50 GLY HA2 1 90 ALA H 4.230 . 6.230 4.208 3.733 4.925 . 0 0 "[ . 1 . 2]" 1
884 1 50 GLY HA2 1 91 TYR QD 4.070 . 6.070 4.847 4.085 5.705 . 0 0 "[ . 1 . 2]" 1
885 1 50 GLY HA2 1 91 TYR H 5.290 . 7.290 5.614 4.975 6.206 . 0 0 "[ . 1 . 2]" 1
886 1 50 GLY H 1 57 VAL MG1 5.130 . 7.130 5.105 2.983 5.836 . 0 0 "[ . 1 . 2]" 1
887 1 50 GLY H 1 57 VAL MG2 5.130 . 7.130 3.318 1.926 5.555 . 0 0 "[ . 1 . 2]" 1
888 1 50 GLY H 1 57 VAL QG 4.100 . 6.100 2.994 1.925 4.553 . 0 0 "[ . 1 . 2]" 1
889 1 50 GLY H 1 58 GLY H 4.020 . 6.020 3.255 2.727 4.829 . 0 0 "[ . 1 . 2]" 1
890 1 50 GLY H 1 59 TYR QB 4.360 . 6.360 4.307 3.058 6.595 0.235 6 0 "[ . 1 . 2]" 1
891 1 50 GLY H 1 59 TYR QD 5.230 . 7.230 4.686 3.230 6.256 . 0 0 "[ . 1 . 2]" 1
892 1 50 GLY H 1 89 ASP QB 4.630 . 6.630 4.045 3.539 4.863 . 0 0 "[ . 1 . 2]" 1
893 1 50 GLY H 1 90 ALA H 5.310 . 7.310 6.037 5.581 7.017 . 0 0 "[ . 1 . 2]" 1
894 1 50 GLY H 1 91 TYR QE 3.960 . 5.960 2.880 2.112 3.833 . 0 0 "[ . 1 . 2]" 1
895 1 51 TRP HA 1 51 TRP HE3 3.880 . 5.880 2.658 2.311 3.422 . 0 0 "[ . 1 . 2]" 1
896 1 51 TRP HA 1 52 MET QG 4.530 . 6.530 3.942 3.355 5.655 . 0 0 "[ . 1 . 2]" 1
897 1 51 TRP HA 1 52 MET H 3.330 . 5.330 2.245 2.157 2.344 . 0 0 "[ . 1 . 2]" 1
898 1 51 TRP HA 1 57 VAL HA 3.550 . 5.550 3.168 2.495 3.853 . 0 0 "[ . 1 . 2]" 1
899 1 51 TRP HA 1 57 VAL QG 3.460 . 5.460 3.130 2.069 4.052 . 0 0 "[ . 1 . 2]" 1
900 1 51 TRP HB3 1 52 MET H 4.280 . 6.280 3.097 2.516 3.894 . 0 0 "[ . 1 . 2]" 1
901 1 51 TRP HB3 1 90 ALA MB 4.240 . 6.240 5.008 4.060 6.379 0.139 12 0 "[ . 1 . 2]" 1
902 1 51 TRP HB2 1 52 MET H 4.280 . 6.280 4.070 3.531 4.558 . 0 0 "[ . 1 . 2]" 1
903 1 51 TRP HB2 1 90 ALA MB 4.240 . 6.240 3.592 2.645 4.911 . 0 0 "[ . 1 . 2]" 1
904 1 51 TRP QB 1 51 TRP HE1 4.450 . 6.450 4.397 4.372 4.421 . 0 0 "[ . 1 . 2]" 1
905 1 51 TRP QB 1 52 MET H 3.710 . 5.710 2.992 2.479 3.683 . 0 0 "[ . 1 . 2]" 1
906 1 51 TRP QB 1 57 VAL HB 4.430 . 6.430 5.022 4.326 6.303 . 0 0 "[ . 1 . 2]" 1
907 1 51 TRP QB 1 57 VAL QG 4.480 . 6.480 4.413 3.300 5.312 . 0 0 "[ . 1 . 2]" 1
908 1 51 TRP QB 1 90 ALA HA 3.950 . 5.950 3.822 3.163 4.834 . 0 0 "[ . 1 . 2]" 1
909 1 51 TRP QB 1 90 ALA MB 3.730 . 5.730 3.513 2.613 4.758 . 0 0 "[ . 1 . 2]" 1
910 1 51 TRP HD1 1 88 TRP HB3 4.790 . 6.790 4.296 3.344 4.989 . 0 0 "[ . 1 . 2]" 1
911 1 51 TRP HD1 1 88 TRP HB2 4.790 . 6.790 2.999 2.528 4.042 . 0 0 "[ . 1 . 2]" 1
912 1 51 TRP HD1 1 88 TRP QB 4.190 . 6.190 2.938 2.457 3.856 . 0 0 "[ . 1 . 2]" 1
913 1 51 TRP HD1 1 90 ALA MB 4.930 . 6.930 3.815 2.889 4.689 . 0 0 "[ . 1 . 2]" 1
914 1 51 TRP HE1 1 57 VAL HB 4.200 . 6.200 6.338 5.920 6.541 0.341 2 0 "[ . 1 . 2]" 1
915 1 51 TRP HE1 1 57 VAL QG 4.950 . 6.950 5.106 3.500 5.778 . 0 0 "[ . 1 . 2]" 1
916 1 51 TRP HE1 1 86 GLU HA 4.930 . 6.930 6.371 5.147 6.984 0.054 2 0 "[ . 1 . 2]" 1
917 1 51 TRP HE1 1 86 GLU HB3 3.680 . 5.680 5.386 4.114 5.852 0.172 9 0 "[ . 1 . 2]" 1
918 1 51 TRP HE1 1 87 ARG HA 3.690 . 5.690 3.198 2.561 3.952 . 0 0 "[ . 1 . 2]" 1
919 1 51 TRP HE1 1 88 TRP QB 4.080 . 6.080 2.342 2.095 2.807 . 0 0 "[ . 1 . 2]" 1
920 1 51 TRP HE1 1 88 TRP HE1 4.840 . 6.840 5.018 4.164 6.483 . 0 0 "[ . 1 . 2]" 1
921 1 51 TRP HE1 1 88 TRP H 3.480 . 5.480 2.704 1.602 3.306 0.198 12 0 "[ . 1 . 2]" 1
922 1 51 TRP HE3 1 52 MET H 4.270 . 6.270 3.420 2.326 4.394 . 0 0 "[ . 1 . 2]" 1
923 1 51 TRP HE3 1 57 VAL QG 4.190 . 6.190 3.381 2.332 5.110 . 0 0 "[ . 1 . 2]" 1
924 1 51 TRP HH2 1 84 ARG H 4.280 . 6.280 3.854 2.900 5.526 . 0 0 "[ . 1 . 2]" 1
925 1 51 TRP H 1 51 TRP QB 3.320 . 5.320 2.404 2.236 2.654 . 0 0 "[ . 1 . 2]" 1
926 1 51 TRP H 1 51 TRP HE1 5.100 . 7.100 4.913 3.814 6.133 . 0 0 "[ . 1 . 2]" 1
927 1 51 TRP H 1 52 MET H 4.580 . 6.580 4.479 3.995 4.636 . 0 0 "[ . 1 . 2]" 1
928 1 51 TRP H 1 57 VAL HB 4.170 . 6.170 5.276 4.297 6.510 0.340 3 0 "[ . 1 . 2]" 1
929 1 51 TRP H 1 57 VAL MG1 4.870 . 6.870 5.704 3.195 6.972 0.102 10 0 "[ . 1 . 2]" 1
930 1 51 TRP H 1 57 VAL MG2 4.870 . 6.870 4.694 3.777 6.550 . 0 0 "[ . 1 . 2]" 1
931 1 51 TRP H 1 57 VAL QG 4.280 . 6.280 4.218 3.125 4.851 . 0 0 "[ . 1 . 2]" 1
932 1 51 TRP H 1 88 TRP QB 4.100 . 6.100 3.609 3.061 4.148 . 0 0 "[ . 1 . 2]" 1
933 1 51 TRP H 1 88 TRP HD1 4.900 . 6.900 6.464 5.698 6.992 0.092 5 0 "[ . 1 . 2]" 1
934 1 51 TRP H 1 90 ALA HA 3.480 . 5.480 2.722 2.026 3.513 . 0 0 "[ . 1 . 2]" 1
935 1 51 TRP H 1 90 ALA MB 4.040 . 6.040 3.514 2.769 4.620 . 0 0 "[ . 1 . 2]" 1
936 1 51 TRP HZ2 1 57 VAL QG 4.840 . 6.840 4.566 3.419 5.557 . 0 0 "[ . 1 . 2]" 1
937 1 51 TRP HZ2 1 86 GLU HB3 4.660 . 6.660 4.218 2.410 5.212 . 0 0 "[ . 1 . 2]" 1
938 1 51 TRP HZ2 1 86 GLU HB2 4.550 . 6.550 3.925 2.410 6.305 . 0 0 "[ . 1 . 2]" 1
939 1 51 TRP HZ2 1 87 ARG H 5.140 . 7.140 5.145 2.939 6.501 . 0 0 "[ . 1 . 2]" 1
940 1 52 MET HA 1 52 MET ME 4.610 . 6.610 4.496 3.852 5.320 . 0 0 "[ . 1 . 2]" 1
941 1 52 MET HA 1 52 MET HG3 4.170 . 6.170 3.004 2.326 3.807 . 0 0 "[ . 1 . 2]" 1
942 1 52 MET HA 1 52 MET HG2 4.170 . 6.170 2.993 2.438 3.810 . 0 0 "[ . 1 . 2]" 1
943 1 52 MET HA 1 52 MET QG 3.590 . 5.590 2.531 2.296 3.332 . 0 0 "[ . 1 . 2]" 1
944 1 52 MET HA 1 53 ALA H 3.340 . 5.340 2.515 2.301 2.648 . 0 0 "[ . 1 . 2]" 1
945 1 52 MET HA 1 55 GLY H 5.500 . 7.500 5.468 4.827 6.456 . 0 0 "[ . 1 . 2]" 1
946 1 52 MET HB3 1 53 ALA H 3.680 . 5.680 2.350 1.946 3.494 . 0 0 "[ . 1 . 2]" 1
947 1 52 MET HB3 1 56 ARG HB2 3.990 . 5.990 5.419 4.384 6.367 0.377 11 0 "[ . 1 . 2]" 1
948 1 52 MET HB3 1 56 ARG H 3.770 . 5.770 5.041 3.432 5.777 0.007 4 0 "[ . 1 . 2]" 1
949 1 52 MET HB2 1 52 MET ME 3.120 . 5.120 2.608 2.123 4.193 . 0 0 "[ . 1 . 2]" 1
950 1 52 MET HB2 1 53 ALA MB 4.420 . 6.420 4.267 3.360 5.295 . 0 0 "[ . 1 . 2]" 1
951 1 52 MET HB2 1 53 ALA H 3.270 . 5.270 3.158 1.911 3.940 . 0 0 "[ . 1 . 2]" 1
952 1 52 MET HB2 1 56 ARG H 4.230 . 6.230 4.129 3.502 5.105 . 0 0 "[ . 1 . 2]" 1
953 1 52 MET ME 1 53 ALA H 5.120 . 7.120 4.866 3.877 5.768 . 0 0 "[ . 1 . 2]" 1
954 1 52 MET ME 1 57 VAL MG1 5.490 . 7.490 4.717 4.140 5.650 . 0 0 "[ . 1 . 2]" 1
955 1 52 MET ME 1 57 VAL MG2 5.490 . 7.490 4.132 3.210 5.537 . 0 0 "[ . 1 . 2]" 1
956 1 52 MET ME 1 58 GLY QA 4.440 . 6.440 2.878 2.183 3.938 . 0 0 "[ . 1 . 2]" 1
957 1 52 MET ME 1 58 GLY H 4.160 . 6.160 2.612 1.830 4.785 . 0 0 "[ . 1 . 2]" 1
958 1 52 MET ME 1 59 TYR H 4.740 . 6.740 4.645 3.977 5.946 . 0 0 "[ . 1 . 2]" 1
959 1 52 MET HG3 1 91 TYR QD 5.060 . 7.060 3.954 3.044 6.241 . 0 0 "[ . 1 . 2]" 1
960 1 52 MET HG2 1 91 TYR QD 5.060 . 7.060 3.858 2.756 6.585 . 0 0 "[ . 1 . 2]" 1
961 1 52 MET QG 1 53 ALA H 4.720 . 6.720 3.714 1.844 4.416 . 0 0 "[ . 1 . 2]" 1
962 1 52 MET QG 1 56 ARG HB2 4.300 . 6.300 5.678 3.191 6.411 0.111 14 0 "[ . 1 . 2]" 1
963 1 52 MET QG 1 58 GLY H 4.390 . 6.390 3.873 1.934 4.996 . 0 0 "[ . 1 . 2]" 1
964 1 52 MET QG 1 90 ALA MB 5.090 . 7.090 5.617 4.566 7.132 0.042 9 0 "[ . 1 . 2]" 1
965 1 52 MET H 1 52 MET HB3 4.080 . 6.080 3.751 2.865 3.971 . 0 0 "[ . 1 . 2]" 1
966 1 52 MET H 1 52 MET HB2 3.990 . 5.990 2.916 2.502 3.944 . 0 0 "[ . 1 . 2]" 1
967 1 52 MET H 1 52 MET QG 4.310 . 6.310 3.002 2.219 4.149 . 0 0 "[ . 1 . 2]" 1
968 1 52 MET H 1 53 ALA H 4.630 . 6.630 4.424 4.336 4.571 . 0 0 "[ . 1 . 2]" 1
969 1 52 MET H 1 55 GLY H 4.780 . 6.780 4.663 3.685 6.139 . 0 0 "[ . 1 . 2]" 1
970 1 52 MET H 1 56 ARG HB2 4.350 . 6.350 5.312 4.544 6.108 . 0 0 "[ . 1 . 2]" 1
971 1 52 MET H 1 56 ARG H 4.380 . 6.380 3.844 3.277 4.771 . 0 0 "[ . 1 . 2]" 1
972 1 52 MET H 1 57 VAL HA 4.290 . 6.290 3.367 2.113 4.322 . 0 0 "[ . 1 . 2]" 1
973 1 52 MET H 1 57 VAL HB 4.540 . 6.540 4.417 3.184 5.646 . 0 0 "[ . 1 . 2]" 1
974 1 52 MET H 1 57 VAL QG 4.070 . 6.070 3.995 2.925 4.880 . 0 0 "[ . 1 . 2]" 1
975 1 52 MET H 1 58 GLY H 4.840 . 6.840 5.130 3.578 6.492 . 0 0 "[ . 1 . 2]" 1
976 1 52 MET H 1 90 ALA MB 5.500 . 7.500 6.254 5.407 7.299 . 0 0 "[ . 1 . 2]" 1
977 1 53 ALA HA 1 54 LYS HA 4.430 . 6.430 4.421 4.347 4.539 . 0 0 "[ . 1 . 2]" 1
978 1 53 ALA HA 1 54 LYS H 3.230 . 5.230 2.239 2.127 2.433 . 0 0 "[ . 1 . 2]" 1
979 1 53 ALA HA 1 55 GLY H 3.960 . 5.960 3.433 3.001 3.677 . 0 0 "[ . 1 . 2]" 1
980 1 53 ALA HA 1 56 ARG H 4.690 . 6.690 4.581 4.435 4.775 . 0 0 "[ . 1 . 2]" 1
981 1 53 ALA MB 1 54 LYS H 3.400 . 5.400 2.725 2.254 3.126 . 0 0 "[ . 1 . 2]" 1
982 1 53 ALA H 1 53 ALA MB 2.970 . 3.970 2.245 2.209 2.293 . 0 0 "[ . 1 . 2]" 1
983 1 53 ALA H 1 54 LYS H 4.270 . 6.270 4.616 4.503 4.658 . 0 0 "[ . 1 . 2]" 1
984 1 53 ALA H 1 55 GLY H 4.600 . 6.600 4.983 4.373 5.559 . 0 0 "[ . 1 . 2]" 1
985 1 53 ALA H 1 56 ARG H 4.810 . 6.810 4.832 4.435 5.197 . 0 0 "[ . 1 . 2]" 1
986 1 54 LYS HA 1 54 LYS QD 3.860 . 5.860 3.815 2.242 4.179 . 0 0 "[ . 1 . 2]" 1
987 1 54 LYS HA 1 54 LYS QG 3.590 . 5.590 2.376 2.261 2.995 . 0 0 "[ . 1 . 2]" 1
988 1 54 LYS HB3 1 55 GLY H 4.470 . 6.470 4.328 3.691 4.497 . 0 0 "[ . 1 . 2]" 1
989 1 54 LYS HB3 1 80 ILE MD 4.300 . 6.300 3.377 2.117 4.830 . 0 0 "[ . 1 . 2]" 1
990 1 54 LYS HB2 1 55 GLY H 4.470 . 6.470 4.167 3.706 4.618 . 0 0 "[ . 1 . 2]" 1
991 1 54 LYS HB2 1 80 ILE MD 4.300 . 6.300 4.256 3.175 5.965 . 0 0 "[ . 1 . 2]" 1
992 1 54 LYS QB 1 56 ARG HD2 4.590 . 6.590 4.257 2.993 5.409 . 0 0 "[ . 1 . 2]" 1
993 1 54 LYS QB 1 56 ARG H 4.020 . 6.020 3.078 2.860 3.334 . 0 0 "[ . 1 . 2]" 1
994 1 54 LYS QB 1 80 ILE MD 3.590 . 5.590 3.232 2.096 4.634 . 0 0 "[ . 1 . 2]" 1
995 1 54 LYS QG 1 55 GLY H 3.770 . 5.770 4.479 4.295 4.917 . 0 0 "[ . 1 . 2]" 1
996 1 54 LYS H 1 55 GLY H 3.710 . 5.710 2.742 2.597 2.898 . 0 0 "[ . 1 . 2]" 1
997 1 54 LYS H 1 56 ARG HB3 4.080 . 6.080 6.081 5.542 6.959 0.879 8 3 "[ -. + 1 .* 2]" 1
998 1 54 LYS H 1 56 ARG H 4.540 . 6.540 4.263 4.119 4.501 . 0 0 "[ . 1 . 2]" 1
999 1 55 GLY HA3 1 80 ILE MG 4.240 . 6.240 3.535 2.492 4.673 . 0 0 "[ . 1 . 2]" 1
1000 1 55 GLY HA2 1 80 ILE MG 4.240 . 6.240 4.846 3.747 6.033 . 0 0 "[ . 1 . 2]" 1
1001 1 55 GLY H 1 56 ARG HB3 4.900 . 6.900 5.307 4.713 6.393 . 0 0 "[ . 1 . 2]" 1
1002 1 55 GLY H 1 56 ARG H 3.120 . 5.120 2.719 2.420 2.879 . 0 0 "[ . 1 . 2]" 1
1003 1 55 GLY H 1 80 ILE MD 4.630 . 6.630 5.754 4.484 6.692 0.062 11 0 "[ . 1 . 2]" 1
1004 1 55 GLY H 1 80 ILE MG 3.870 . 5.870 5.364 4.473 6.123 0.253 6 0 "[ . 1 . 2]" 1
1005 1 56 ARG HA 1 56 ARG HD3 3.300 . 5.300 4.508 3.378 4.665 . 0 0 "[ . 1 . 2]" 1
1006 1 56 ARG HA 1 80 ILE HA 3.400 . 5.400 2.784 2.326 3.752 . 0 0 "[ . 1 . 2]" 1
1007 1 56 ARG HA 1 80 ILE MD 4.160 . 6.160 4.616 3.586 5.582 . 0 0 "[ . 1 . 2]" 1
1008 1 56 ARG HA 1 80 ILE MG 4.670 . 6.670 3.985 2.935 5.338 . 0 0 "[ . 1 . 2]" 1
1009 1 56 ARG HA 1 80 ILE H 4.640 . 6.640 3.955 1.813 5.638 . 0 0 "[ . 1 . 2]" 1
1010 1 56 ARG HA 1 81 ARG H 4.370 . 6.370 4.059 3.569 5.407 . 0 0 "[ . 1 . 2]" 1
1011 1 56 ARG HB3 1 79 GLY H 4.600 . 6.600 6.725 5.819 7.030 0.430 4 0 "[ . 1 . 2]" 1
1012 1 56 ARG HB3 1 80 ILE MD 4.490 . 6.490 5.737 4.575 6.677 0.187 16 0 "[ . 1 . 2]" 1
1013 1 56 ARG HB2 1 56 ARG HE 4.920 . 6.920 4.149 2.542 4.799 . 0 0 "[ . 1 . 2]" 1
1014 1 56 ARG HB2 1 80 ILE MD 4.430 . 6.430 4.426 3.223 6.058 . 0 0 "[ . 1 . 2]" 1
1015 1 56 ARG HD3 1 80 ILE QG 3.440 . 5.440 4.900 3.491 5.474 0.034 12 0 "[ . 1 . 2]" 1
1016 1 56 ARG HD2 1 79 GLY H 4.620 . 6.620 5.689 2.347 6.577 . 0 0 "[ . 1 . 2]" 1
1017 1 56 ARG HD2 1 80 ILE QG 2.980 . 3.980 3.998 3.465 4.219 0.239 4 0 "[ . 1 . 2]" 1
1018 1 56 ARG HD2 1 80 ILE H 5.500 . 7.500 5.388 3.491 6.951 . 0 0 "[ . 1 . 2]" 1
1019 1 56 ARG HE 1 79 GLY H 5.460 . 7.460 5.122 3.407 7.201 . 0 0 "[ . 1 . 2]" 1
1020 1 56 ARG H 1 56 ARG HB2 3.010 . 5.010 2.389 2.072 2.568 . 0 0 "[ . 1 . 2]" 1
1021 1 56 ARG H 1 56 ARG HD3 4.590 . 6.590 4.879 4.076 5.703 . 0 0 "[ . 1 . 2]" 1
1022 1 56 ARG H 1 56 ARG HD2 4.260 . 6.260 4.948 4.334 5.941 . 0 0 "[ . 1 . 2]" 1
1023 1 56 ARG H 1 57 VAL QG 4.980 . 6.980 5.014 4.190 5.586 . 0 0 "[ . 1 . 2]" 1
1024 1 56 ARG H 1 57 VAL H 3.720 . 5.720 4.477 3.467 4.644 . 0 0 "[ . 1 . 2]" 1
1025 1 56 ARG H 1 80 ILE MD 3.700 . 5.700 4.925 4.002 5.716 0.016 16 0 "[ . 1 . 2]" 1
1026 1 57 VAL HA 1 58 GLY H 3.400 . 5.400 2.195 2.111 2.361 . 0 0 "[ . 1 . 2]" 1
1027 1 57 VAL HB 1 58 GLY H 4.380 . 6.380 3.867 2.613 4.339 . 0 0 "[ . 1 . 2]" 1
1028 1 57 VAL HB 1 78 TYR QB 5.050 . 7.050 5.793 4.156 7.275 0.225 2 0 "[ . 1 . 2]" 1
1029 1 57 VAL HB 1 81 ARG HD3 3.690 . 5.690 4.490 2.615 5.939 0.249 4 0 "[ . 1 . 2]" 1
1030 1 57 VAL HB 1 81 ARG HD2 3.690 . 5.690 4.848 2.561 5.822 0.132 18 0 "[ . 1 . 2]" 1
1031 1 57 VAL HB 1 81 ARG HG3 4.760 . 6.760 4.766 2.450 5.659 . 0 0 "[ . 1 . 2]" 1
1032 1 57 VAL HB 1 81 ARG HG2 4.760 . 6.760 5.905 3.178 6.955 0.195 13 0 "[ . 1 . 2]" 1
1033 1 57 VAL HB 1 81 ARG QG 4.160 . 6.160 4.524 2.373 5.419 . 0 0 "[ . 1 . 2]" 1
1034 1 57 VAL HB 1 88 TRP HE3 4.720 . 6.720 6.432 3.208 6.806 0.086 14 0 "[ . 1 . 2]" 1
1035 1 57 VAL MG1 1 58 GLY H 4.010 . 6.010 3.808 2.650 4.132 . 0 0 "[ . 1 . 2]" 1
1036 1 57 VAL MG1 1 81 ARG HD3 4.400 . 6.400 2.735 2.091 4.179 . 0 0 "[ . 1 . 2]" 1
1037 1 57 VAL MG1 1 81 ARG HD2 4.400 . 6.400 3.109 2.048 5.111 . 0 0 "[ . 1 . 2]" 1
1038 1 57 VAL MG1 1 88 TRP HB3 5.360 . 7.360 5.580 2.791 6.589 . 0 0 "[ . 1 . 2]" 1
1039 1 57 VAL MG1 1 88 TRP HB2 5.360 . 7.360 5.455 3.023 6.704 . 0 0 "[ . 1 . 2]" 1
1040 1 57 VAL MG2 1 58 GLY H 4.010 . 6.010 2.684 1.904 4.334 . 0 0 "[ . 1 . 2]" 1
1041 1 57 VAL MG2 1 81 ARG HD3 4.400 . 6.400 3.831 2.300 5.563 . 0 0 "[ . 1 . 2]" 1
1042 1 57 VAL MG2 1 81 ARG HD2 4.400 . 6.400 3.998 2.343 6.044 . 0 0 "[ . 1 . 2]" 1
1043 1 57 VAL MG2 1 88 TRP HB3 5.360 . 7.360 4.424 3.518 6.213 . 0 0 "[ . 1 . 2]" 1
1044 1 57 VAL MG2 1 88 TRP HB2 5.360 . 7.360 4.652 3.905 6.312 . 0 0 "[ . 1 . 2]" 1
1045 1 57 VAL QG 1 58 GLY QA 4.800 . 6.800 3.093 2.867 3.602 . 0 0 "[ . 1 . 2]" 1
1046 1 57 VAL QG 1 58 GLY H 3.320 . 5.320 2.494 1.899 3.512 . 0 0 "[ . 1 . 2]" 1
1047 1 57 VAL QG 1 78 TYR QB 4.100 . 6.100 3.287 1.936 4.692 . 0 0 "[ . 1 . 2]" 1
1048 1 57 VAL QG 1 78 TYR H 5.080 . 7.080 4.231 2.942 6.561 . 0 0 "[ . 1 . 2]" 1
1049 1 57 VAL QG 1 81 ARG QB 4.350 . 6.350 3.001 2.215 3.662 . 0 0 "[ . 1 . 2]" 1
1050 1 57 VAL QG 1 81 ARG QD 3.300 . 5.300 2.221 1.968 3.051 . 0 0 "[ . 1 . 2]" 1
1051 1 57 VAL QG 1 81 ARG QG 3.490 . 5.490 2.591 1.929 4.111 . 0 0 "[ . 1 . 2]" 1
1052 1 57 VAL QG 1 81 ARG H 4.680 . 6.680 3.134 2.148 4.417 . 0 0 "[ . 1 . 2]" 1
1053 1 57 VAL QG 1 88 TRP QB 4.050 . 6.050 3.649 2.534 4.407 . 0 0 "[ . 1 . 2]" 1
1054 1 57 VAL QG 1 88 TRP HD1 4.090 . 6.090 4.883 3.036 5.680 . 0 0 "[ . 1 . 2]" 1
1055 1 57 VAL QG 1 88 TRP HE1 4.860 . 6.860 5.074 3.887 5.781 . 0 0 "[ . 1 . 2]" 1
1056 1 57 VAL QG 1 88 TRP HE3 3.680 . 5.680 4.284 2.579 5.828 0.148 2 0 "[ . 1 . 2]" 1
1057 1 57 VAL H 1 57 VAL HB 4.100 . 6.100 3.207 2.478 3.926 . 0 0 "[ . 1 . 2]" 1
1058 1 57 VAL H 1 57 VAL MG1 4.500 . 6.500 2.347 1.789 3.988 0.011 9 0 "[ . 1 . 2]" 1
1059 1 57 VAL H 1 57 VAL MG2 4.500 . 6.500 3.477 2.192 3.921 . 0 0 "[ . 1 . 2]" 1
1060 1 57 VAL H 1 57 VAL QG 3.930 . 5.930 2.111 1.785 2.496 0.015 9 0 "[ . 1 . 2]" 1
1061 1 57 VAL H 1 58 GLY H 4.450 . 6.450 4.414 4.196 4.660 . 0 0 "[ . 1 . 2]" 1
1062 1 57 VAL H 1 78 TYR QB 4.630 . 6.630 4.557 2.963 6.049 . 0 0 "[ . 1 . 2]" 1
1063 1 57 VAL H 1 79 GLY H 4.540 . 6.540 4.846 3.418 6.342 . 0 0 "[ . 1 . 2]" 1
1064 1 57 VAL H 1 80 ILE HA 4.400 . 6.400 3.892 3.129 5.011 . 0 0 "[ . 1 . 2]" 1
1065 1 57 VAL H 1 81 ARG HD3 4.360 . 6.360 5.356 2.677 6.614 0.254 20 0 "[ . 1 . 2]" 1
1066 1 57 VAL H 1 81 ARG HD2 4.360 . 6.360 5.250 2.964 6.328 . 0 0 "[ . 1 . 2]" 1
1067 1 57 VAL H 1 81 ARG H 4.780 . 6.780 4.229 3.202 5.138 . 0 0 "[ . 1 . 2]" 1
1068 1 58 GLY HA3 1 75 ILE MG 4.630 . 6.630 4.411 3.535 5.355 . 0 0 "[ . 1 . 2]" 1
1069 1 58 GLY HA3 1 78 TYR H 4.550 . 6.550 4.680 3.181 6.083 . 0 0 "[ . 1 . 2]" 1
1070 1 58 GLY HA2 1 75 ILE MG 4.630 . 6.630 5.201 3.993 6.574 . 0 0 "[ . 1 . 2]" 1
1071 1 58 GLY HA2 1 78 TYR H 4.550 . 6.550 4.337 3.070 6.317 . 0 0 "[ . 1 . 2]" 1
1072 1 58 GLY QA 1 75 ILE MG 4.060 . 6.060 4.173 3.405 5.131 . 0 0 "[ . 1 . 2]" 1
1073 1 58 GLY QA 1 77 ASP HA 4.270 . 6.270 3.394 2.287 5.147 . 0 0 "[ . 1 . 2]" 1
1074 1 58 GLY QA 1 77 ASP QB 5.180 . 7.180 3.933 2.195 6.418 . 0 0 "[ . 1 . 2]" 1
1075 1 58 GLY H 1 59 TYR QB 3.890 . 5.890 4.817 4.069 6.041 0.151 4 0 "[ . 1 . 2]" 1
1076 1 58 GLY H 1 59 TYR H 4.310 . 6.310 4.237 2.808 4.419 . 0 0 "[ . 1 . 2]" 1
1077 1 58 GLY H 1 75 ILE MG 4.790 . 6.790 6.494 5.603 7.174 0.384 18 0 "[ . 1 . 2]" 1
1078 1 58 GLY H 1 78 TYR H 4.970 . 6.970 6.136 5.116 7.160 0.190 2 0 "[ . 1 . 2]" 1
1079 1 59 TYR HA 1 60 PRO QD 3.480 . 5.480 2.152 2.058 2.297 . 0 0 "[ . 1 . 2]" 1
1080 1 59 TYR HB3 1 91 TYR QE 5.500 . 7.500 4.999 2.745 7.069 . 0 0 "[ . 1 . 2]" 1
1081 1 59 TYR HB2 1 91 TYR QE 5.500 . 7.500 5.723 3.727 7.756 0.256 6 0 "[ . 1 . 2]" 1
1082 1 59 TYR QB 1 91 TYR QE 4.720 . 6.720 4.672 2.678 6.523 . 0 0 "[ . 1 . 2]" 1
1083 1 59 TYR H 1 59 TYR QB 3.410 . 5.410 3.139 2.300 3.357 . 0 0 "[ . 1 . 2]" 1
1084 1 59 TYR H 1 75 ILE MG 3.400 . 5.400 4.312 2.952 5.466 0.066 13 0 "[ . 1 . 2]" 1
1085 1 59 TYR H 1 76 ILE HB 5.500 . 7.500 4.426 2.083 7.232 . 0 0 "[ . 1 . 2]" 1
1086 1 59 TYR H 1 76 ILE QG 4.670 . 6.670 4.906 2.487 6.709 0.039 17 0 "[ . 1 . 2]" 1
1087 1 59 TYR H 1 76 ILE MG 4.040 . 6.040 5.225 3.440 6.336 0.296 2 0 "[ . 1 . 2]" 1
1088 1 59 TYR H 1 76 ILE H 3.940 . 5.940 4.075 3.451 6.047 0.107 17 0 "[ . 1 . 2]" 1
1089 1 59 TYR H 1 77 ASP HA 4.440 . 6.440 4.827 3.134 6.411 . 0 0 "[ . 1 . 2]" 1
1090 1 59 TYR H 1 77 ASP QB 5.180 . 7.180 5.373 3.018 7.416 0.236 5 0 "[ . 1 . 2]" 1
1091 1 59 TYR H 1 91 TYR QE 5.330 . 7.330 6.471 5.393 7.362 0.032 3 0 "[ . 1 . 2]" 1
1092 1 60 PRO HA 1 75 ILE HB 5.150 . 7.150 5.036 4.405 5.792 . 0 0 "[ . 1 . 2]" 1
1093 1 60 PRO HA 1 75 ILE QG 5.050 . 7.050 3.081 2.315 4.772 . 0 0 "[ . 1 . 2]" 1
1094 1 61 ILE HA 1 61 ILE MD 3.510 . 5.510 3.948 3.444 4.172 . 0 0 "[ . 1 . 2]" 1
1095 1 61 ILE HA 1 61 ILE MG 3.410 . 5.410 2.307 2.239 2.382 . 0 0 "[ . 1 . 2]" 1
1096 1 61 ILE HB 1 73 THR HA 4.020 . 6.020 4.411 2.336 5.970 . 0 0 "[ . 1 . 2]" 1
1097 1 61 ILE HB 1 76 ILE MD 4.270 . 6.270 5.038 3.612 6.417 0.147 13 0 "[ . 1 . 2]" 1
1098 1 61 ILE MD 1 62 VAL H 5.180 . 7.180 5.205 4.423 5.545 . 0 0 "[ . 1 . 2]" 1
1099 1 61 ILE MD 1 68 CYS HB3 4.460 . 6.460 4.779 2.501 6.588 0.128 18 0 "[ . 1 . 2]" 1
1100 1 61 ILE MD 1 68 CYS HB2 4.460 . 6.460 3.713 2.122 5.257 . 0 0 "[ . 1 . 2]" 1
1101 1 61 ILE MD 1 68 CYS QB 3.810 . 5.810 3.572 2.013 5.039 . 0 0 "[ . 1 . 2]" 1
1102 1 61 ILE MD 1 76 ILE HA 4.900 . 6.900 6.438 5.134 7.157 0.257 13 0 "[ . 1 . 2]" 1
1103 1 61 ILE QG 1 74 GLY H 4.450 . 6.450 4.638 2.580 6.537 0.087 15 0 "[ . 1 . 2]" 1
1104 1 61 ILE MD 1 61 ILE MG 3.320 . 5.320 1.946 1.838 2.038 . 0 0 "[ . 1 . 2]" 1
1105 1 61 ILE MG 1 62 VAL HA 5.500 . 7.500 4.927 4.118 5.803 . 0 0 "[ . 1 . 2]" 1
1106 1 61 ILE MG 1 62 VAL H 4.710 . 6.710 3.509 2.657 4.091 . 0 0 "[ . 1 . 2]" 1
1107 1 61 ILE MG 1 63 LYS HA 4.150 . 6.150 4.769 3.058 6.266 0.116 20 0 "[ . 1 . 2]" 1
1108 1 61 ILE MG 1 63 LYS H 4.710 . 6.710 3.475 1.985 5.090 . 0 0 "[ . 1 . 2]" 1
1109 1 61 ILE MG 1 73 THR HA 3.680 . 5.680 4.723 3.336 5.774 0.094 13 0 "[ . 1 . 2]" 1
1110 1 61 ILE MG 1 73 THR HB 4.880 . 6.880 6.092 3.919 7.046 0.166 19 0 "[ . 1 . 2]" 1
1111 1 61 ILE MG 1 74 GLY H 5.080 . 7.080 5.157 3.910 6.200 . 0 0 "[ . 1 . 2]" 1
1112 1 62 VAL HA 1 62 VAL MG1 3.300 . 5.300 2.411 2.253 3.210 . 0 0 "[ . 1 . 2]" 1
1113 1 62 VAL HA 1 62 VAL MG2 3.300 . 5.300 2.580 2.296 3.209 . 0 0 "[ . 1 . 2]" 1
1114 1 62 VAL HA 1 62 VAL QG 2.710 . 3.710 2.155 2.074 2.321 . 0 0 "[ . 1 . 2]" 1
1115 1 62 VAL HB 1 63 LYS HE3 4.340 . 6.340 5.461 3.691 6.633 0.293 2 0 "[ . 1 . 2]" 1
1116 1 62 VAL HB 1 63 LYS HE2 4.340 . 6.340 5.615 4.796 6.527 0.187 5 0 "[ . 1 . 2]" 1
1117 1 62 VAL HB 1 63 LYS QE 3.660 . 5.660 4.781 3.632 5.715 0.055 15 0 "[ . 1 . 2]" 1
1118 1 62 VAL HB 1 63 LYS H 4.340 . 6.340 3.077 1.945 4.102 . 0 0 "[ . 1 . 2]" 1
1119 1 62 VAL HB 1 74 GLY H 4.120 . 6.120 6.134 5.289 6.554 0.434 15 0 "[ . 1 . 2]" 1
1120 1 62 VAL MG1 1 63 LYS H 4.540 . 6.540 3.544 2.368 4.276 . 0 0 "[ . 1 . 2]" 1
1121 1 62 VAL MG2 1 63 LYS H 4.540 . 6.540 3.386 2.037 3.984 . 0 0 "[ . 1 . 2]" 1
1122 1 62 VAL QG 1 63 LYS QB 3.090 . 5.090 3.188 2.435 4.103 . 0 0 "[ . 1 . 2]" 1
1123 1 62 VAL QG 1 63 LYS QE 3.060 . 5.060 3.511 2.302 5.085 0.025 13 0 "[ . 1 . 2]" 1
1124 1 62 VAL QG 1 74 GLY H 4.540 . 6.540 4.558 3.488 5.387 . 0 0 "[ . 1 . 2]" 1
1125 1 62 VAL H 1 63 LYS H 5.000 . 7.000 2.570 1.932 2.893 . 0 0 "[ . 1 . 2]" 1
1126 1 63 LYS HA 1 63 LYS QD 4.520 . 6.520 3.901 2.187 4.535 . 0 0 "[ . 1 . 2]" 1
1127 1 63 LYS HA 1 63 LYS QE 3.640 . 5.640 4.716 3.830 5.646 0.006 13 0 "[ . 1 . 2]" 1
1128 1 63 LYS HA 1 64 PRO HD3 3.170 . 5.170 2.757 2.083 4.273 . 0 0 "[ . 1 . 2]" 1
1129 1 63 LYS HA 1 64 PRO HD2 3.120 . 5.120 2.873 2.254 4.212 . 0 0 "[ . 1 . 2]" 1
1130 1 63 LYS HA 1 73 THR HB 4.550 . 6.550 4.724 2.399 6.694 0.144 3 0 "[ . 1 . 2]" 1
1131 1 63 LYS HA 1 73 THR MG 3.720 . 5.720 3.539 2.215 5.206 . 0 0 "[ . 1 . 2]" 1
1132 1 63 LYS QB 1 63 LYS QE 2.660 . 3.660 2.943 1.996 3.682 0.022 14 0 "[ . 1 . 2]" 1
1133 1 63 LYS QB 1 64 PRO HD3 3.630 . 5.630 3.301 2.076 4.282 . 0 0 "[ . 1 . 2]" 1
1134 1 63 LYS QB 1 64 PRO HD2 3.640 . 5.640 2.783 2.337 4.260 . 0 0 "[ . 1 . 2]" 1
1135 1 63 LYS QG 1 64 PRO HD3 4.520 . 6.520 4.110 2.365 4.958 . 0 0 "[ . 1 . 2]" 1
1136 1 64 PRO QB 1 73 THR MG 4.110 . 6.110 5.427 3.769 6.283 0.173 2 0 "[ . 1 . 2]" 1
1137 1 64 PRO HD3 1 73 THR HB 5.080 . 7.080 5.610 3.436 7.168 0.088 10 0 "[ . 1 . 2]" 1
1138 1 64 PRO HD3 1 73 THR MG 3.860 . 5.860 3.880 2.335 5.766 . 0 0 "[ . 1 . 2]" 1
1139 1 64 PRO HD2 1 73 THR MG 3.200 . 5.200 4.719 3.405 5.523 0.323 2 0 "[ . 1 . 2]" 1
1140 1 64 PRO QG 1 73 THR MG 4.440 . 6.440 4.519 2.150 6.387 . 0 0 "[ . 1 . 2]" 1
1141 1 65 GLY QA 1 66 PRO QD 3.090 . 5.090 2.133 2.016 2.349 . 0 0 "[ . 1 . 2]" 1
1142 1 65 GLY QA 1 66 PRO QG 4.390 . 6.390 3.848 3.708 4.104 . 0 0 "[ . 1 . 2]" 1
1143 1 65 GLY QA 1 68 CYS H 4.800 . 6.800 3.359 3.032 4.270 . 0 0 "[ . 1 . 2]" 1
1144 1 65 GLY H 1 66 PRO HA 4.940 . 6.940 4.887 4.118 5.635 . 0 0 "[ . 1 . 2]" 1
1145 1 66 PRO HA 1 68 CYS H 4.710 . 6.710 4.222 3.604 4.621 . 0 0 "[ . 1 . 2]" 1
1146 1 66 PRO QD 1 67 ASN H 4.710 . 6.710 2.692 2.372 2.862 . 0 0 "[ . 1 . 2]" 1
1147 1 66 PRO QG 1 67 ASN H 4.210 . 6.210 2.492 1.841 3.831 . 0 0 "[ . 1 . 2]" 1
1148 1 67 ASN QD 1 68 CYS QB 4.770 . 6.770 4.610 3.123 5.985 . 0 0 "[ . 1 . 2]" 1
1149 1 67 ASN H 1 68 CYS H 3.930 . 5.930 2.544 2.272 2.996 . 0 0 "[ . 1 . 2]" 1
1150 1 68 CYS H 1 68 CYS QB 3.690 . 5.690 3.212 2.801 3.457 . 0 0 "[ . 1 . 2]" 1
1151 1 70 PHE HA 1 70 PHE QD 4.110 . 6.110 3.053 2.383 3.724 . 0 0 "[ . 1 . 2]" 1
1152 1 71 GLY HA3 1 72 LYS QB 4.890 . 6.890 4.548 3.947 5.485 . 0 0 "[ . 1 . 2]" 1
1153 1 71 GLY HA2 1 72 LYS QB 4.890 . 6.890 4.694 3.959 5.521 . 0 0 "[ . 1 . 2]" 1
1154 1 71 GLY QA 1 72 LYS QB 4.220 . 6.220 4.079 3.523 4.713 . 0 0 "[ . 1 . 2]" 1
1155 1 72 LYS QB 1 73 THR H 3.020 . 5.020 2.345 1.761 3.873 0.039 4 0 "[ . 1 . 2]" 1
1156 1 72 LYS QB 1 76 ILE MD 3.010 . 5.010 3.069 2.093 5.112 0.102 15 0 "[ . 1 . 2]" 1
1157 1 72 LYS QB 1 76 ILE MG 4.370 . 6.370 4.232 2.245 6.479 0.109 17 0 "[ . 1 . 2]" 1
1158 1 72 LYS QG 1 73 THR H 3.950 . 5.950 3.569 1.789 4.722 0.011 19 0 "[ . 1 . 2]" 1
1159 1 72 LYS QG 1 76 ILE MD 3.730 . 5.730 4.067 3.316 5.685 . 0 0 "[ . 1 . 2]" 1
1160 1 72 LYS H 1 73 THR HB 5.330 . 7.330 6.826 4.863 7.490 0.160 4 0 "[ . 1 . 2]" 1
1161 1 72 LYS H 1 73 THR H 4.580 . 6.580 4.148 2.446 4.628 . 0 0 "[ . 1 . 2]" 1
1162 1 73 THR HA 1 73 THR MG 3.190 . 5.190 2.381 2.187 2.557 . 0 0 "[ . 1 . 2]" 1
1163 1 73 THR HA 1 74 GLY H 3.280 . 5.280 2.374 2.108 2.500 . 0 0 "[ . 1 . 2]" 1
1164 1 73 THR HA 1 76 ILE MD 4.490 . 6.490 4.298 2.587 5.897 . 0 0 "[ . 1 . 2]" 1
1165 1 73 THR HB 1 74 GLY QA 5.330 . 7.330 3.917 3.671 4.230 . 0 0 "[ . 1 . 2]" 1
1166 1 73 THR HB 1 74 GLY H 3.750 . 5.750 2.575 2.214 3.569 . 0 0 "[ . 1 . 2]" 1
1167 1 73 THR MG 1 74 GLY H 3.750 . 5.750 3.501 1.756 3.994 0.044 3 0 "[ . 1 . 2]" 1
1168 1 73 THR H 1 73 THR HA 2.790 . 3.790 2.947 2.757 2.980 . 0 0 "[ . 1 . 2]" 1
1169 1 73 THR H 1 73 THR HB 3.390 . 5.390 3.724 2.815 3.952 . 0 0 "[ . 1 . 2]" 1
1170 1 73 THR H 1 73 THR MG 3.670 . 5.670 2.895 2.107 4.003 . 0 0 "[ . 1 . 2]" 1
1171 1 73 THR H 1 76 ILE MD 4.570 . 6.570 4.031 2.643 5.631 . 0 0 "[ . 1 . 2]" 1
1172 1 74 GLY HA3 1 75 ILE H 3.270 . 5.270 2.776 2.178 3.559 . 0 0 "[ . 1 . 2]" 1
1173 1 74 GLY HA2 1 75 ILE H 3.270 . 5.270 2.637 2.218 3.553 . 0 0 "[ . 1 . 2]" 1
1174 1 74 GLY QA 1 75 ILE H 2.840 . 3.840 2.269 2.134 2.658 . 0 0 "[ . 1 . 2]" 1
1175 1 74 GLY QA 1 76 ILE H 4.410 . 6.410 5.252 2.769 5.947 . 0 0 "[ . 1 . 2]" 1
1176 1 74 GLY H 1 75 ILE H 4.530 . 6.530 3.999 2.640 4.590 . 0 0 "[ . 1 . 2]" 1
1177 1 74 GLY H 1 76 ILE MD 4.450 . 6.450 5.086 3.775 6.475 0.025 4 0 "[ . 1 . 2]" 1
1178 1 75 ILE HA 1 75 ILE MD 3.140 . 5.140 3.833 3.609 3.893 . 0 0 "[ . 1 . 2]" 1
1179 1 75 ILE HA 1 75 ILE QG 3.630 . 5.630 2.457 2.241 2.577 . 0 0 "[ . 1 . 2]" 1
1180 1 75 ILE HA 1 75 ILE MG 3.410 . 5.410 2.327 2.269 2.849 . 0 0 "[ . 1 . 2]" 1
1181 1 75 ILE HA 1 76 ILE MD 4.190 . 6.190 4.658 3.812 6.114 . 0 0 "[ . 1 . 2]" 1
1182 1 75 ILE HB 1 76 ILE H 4.550 . 6.550 4.007 2.177 4.426 . 0 0 "[ . 1 . 2]" 1
1183 1 75 ILE QG 1 76 ILE H 4.300 . 6.300 4.157 3.531 4.423 . 0 0 "[ . 1 . 2]" 1
1184 1 75 ILE MG 1 76 ILE H 3.470 . 5.470 2.727 2.225 4.124 . 0 0 "[ . 1 . 2]" 1
1185 1 75 ILE MG 1 77 ASP HA 4.660 . 6.660 4.189 3.513 5.648 . 0 0 "[ . 1 . 2]" 1
1186 1 75 ILE MG 1 77 ASP HB3 4.540 . 6.540 4.108 2.544 5.955 . 0 0 "[ . 1 . 2]" 1
1187 1 75 ILE MG 1 77 ASP HB2 4.540 . 6.540 4.256 2.547 5.939 . 0 0 "[ . 1 . 2]" 1
1188 1 75 ILE MG 1 77 ASP QB 3.830 . 5.830 3.516 2.354 5.298 . 0 0 "[ . 1 . 2]" 1
1189 1 75 ILE H 1 75 ILE HB 3.170 . 5.170 2.939 2.497 3.736 . 0 0 "[ . 1 . 2]" 1
1190 1 75 ILE H 1 75 ILE MG 3.610 . 5.610 3.844 3.718 4.018 . 0 0 "[ . 1 . 2]" 1
1191 1 75 ILE H 1 76 ILE QG 3.590 . 5.590 4.538 3.156 5.398 . 0 0 "[ . 1 . 2]" 1
1192 1 75 ILE H 1 76 ILE H 4.360 . 6.360 4.198 2.464 4.658 . 0 0 "[ . 1 . 2]" 1
1193 1 76 ILE HA 1 76 ILE MD 3.210 . 5.210 3.321 2.129 4.173 . 0 0 "[ . 1 . 2]" 1
1194 1 76 ILE HA 1 76 ILE MG 3.230 . 5.230 2.285 2.252 2.308 . 0 0 "[ . 1 . 2]" 1
1195 1 76 ILE HA 1 77 ASP QB 4.550 . 6.550 4.582 4.046 5.245 . 0 0 "[ . 1 . 2]" 1
1196 1 76 ILE HA 1 77 ASP H 3.360 . 5.360 2.450 2.123 3.532 . 0 0 "[ . 1 . 2]" 1
1197 1 76 ILE HB 1 77 ASP QB 4.330 . 6.330 5.700 4.537 6.063 . 0 0 "[ . 1 . 2]" 1
1198 1 76 ILE MD 1 77 ASP H 3.830 . 5.830 4.808 3.634 5.680 . 0 0 "[ . 1 . 2]" 1
1199 1 76 ILE MD 1 76 ILE MG 2.890 . 3.890 1.953 1.866 2.065 . 0 0 "[ . 1 . 2]" 1
1200 1 76 ILE MG 1 77 ASP HA 4.390 . 6.390 4.402 3.594 5.635 . 0 0 "[ . 1 . 2]" 1
1201 1 76 ILE MG 1 77 ASP H 3.830 . 5.830 3.479 2.481 4.435 . 0 0 "[ . 1 . 2]" 1
1202 1 76 ILE H 1 76 ILE MD 5.080 . 7.080 3.661 3.079 4.238 . 0 0 "[ . 1 . 2]" 1
1203 1 76 ILE H 1 76 ILE QG 3.830 . 5.830 2.390 1.841 2.696 . 0 0 "[ . 1 . 2]" 1
1204 1 77 ASP HB3 1 78 TYR H 5.500 . 7.500 3.882 2.785 4.426 . 0 0 "[ . 1 . 2]" 1
1205 1 77 ASP HB2 1 78 TYR H 5.500 . 7.500 3.764 2.711 4.551 . 0 0 "[ . 1 . 2]" 1
1206 1 77 ASP H 1 77 ASP HB3 3.870 . 5.870 2.947 2.456 3.875 . 0 0 "[ . 1 . 2]" 1
1207 1 77 ASP H 1 77 ASP HB2 3.870 . 5.870 3.005 2.368 3.851 . 0 0 "[ . 1 . 2]" 1
1208 1 77 ASP H 1 77 ASP QB 3.350 . 5.350 2.512 2.231 3.124 . 0 0 "[ . 1 . 2]" 1
1209 1 77 ASP H 1 78 TYR QE 5.220 . 7.220 6.362 5.317 7.393 0.173 6 0 "[ . 1 . 2]" 1
1210 1 77 ASP H 1 78 TYR H 5.340 . 7.340 4.449 4.157 4.622 . 0 0 "[ . 1 . 2]" 1
1211 1 78 TYR QB 1 79 GLY H 4.170 . 6.170 2.743 1.688 3.922 0.112 13 0 "[ . 1 . 2]" 1
1212 1 78 TYR QD 1 79 GLY H 4.810 . 6.810 3.966 2.088 4.924 . 0 0 "[ . 1 . 2]" 1
1213 1 78 TYR H 1 79 GLY H 3.700 . 5.700 3.094 1.744 4.428 0.056 3 0 "[ . 1 . 2]" 1
1214 1 79 GLY HA3 1 80 ILE MD 5.340 . 7.340 4.989 3.372 5.602 . 0 0 "[ . 1 . 2]" 1
1215 1 79 GLY HA3 1 80 ILE QG 4.680 . 6.680 4.045 3.248 5.112 . 0 0 "[ . 1 . 2]" 1
1216 1 79 GLY HA3 1 80 ILE H 3.280 . 5.280 2.731 2.137 3.557 . 0 0 "[ . 1 . 2]" 1
1217 1 79 GLY HA2 1 80 ILE MD 5.340 . 7.340 4.787 2.435 5.930 . 0 0 "[ . 1 . 2]" 1
1218 1 79 GLY HA2 1 80 ILE QG 4.680 . 6.680 3.601 3.285 4.664 . 0 0 "[ . 1 . 2]" 1
1219 1 79 GLY HA2 1 80 ILE H 3.280 . 5.280 2.795 2.204 3.562 . 0 0 "[ . 1 . 2]" 1
1220 1 79 GLY QA 1 80 ILE MD 4.540 . 6.540 4.317 2.381 4.612 . 0 0 "[ . 1 . 2]" 1
1221 1 79 GLY QA 1 80 ILE QG 3.990 . 5.990 3.319 3.091 4.286 . 0 0 "[ . 1 . 2]" 1
1222 1 79 GLY H 1 80 ILE QG 4.270 . 6.270 5.169 4.435 5.673 . 0 0 "[ . 1 . 2]" 1
1223 1 79 GLY H 1 80 ILE MG 5.040 . 7.040 6.380 5.752 6.748 . 0 0 "[ . 1 . 2]" 1
1224 1 79 GLY H 1 80 ILE H 4.090 . 6.090 3.827 2.580 4.570 . 0 0 "[ . 1 . 2]" 1
1225 1 80 ILE HA 1 80 ILE MD 3.430 . 5.430 3.808 3.086 3.881 . 0 0 "[ . 1 . 2]" 1
1226 1 80 ILE HA 1 80 ILE MG 3.330 . 5.330 2.352 2.285 2.961 . 0 0 "[ . 1 . 2]" 1
1227 1 80 ILE HA 1 81 ARG H 3.570 . 5.570 2.190 2.122 2.570 . 0 0 "[ . 1 . 2]" 1
1228 1 80 ILE HB 1 80 ILE MD 3.090 . 5.090 2.327 2.274 2.433 . 0 0 "[ . 1 . 2]" 1
1229 1 80 ILE QG 1 80 ILE MG 2.990 . 3.990 2.292 2.089 2.371 . 0 0 "[ . 1 . 2]" 1
1230 1 80 ILE MG 1 81 ARG H 3.790 . 5.790 3.044 2.335 3.966 . 0 0 "[ . 1 . 2]" 1
1231 1 80 ILE H 1 80 ILE HB 3.070 . 5.070 3.042 2.494 3.587 . 0 0 "[ . 1 . 2]" 1
1232 1 80 ILE H 1 80 ILE QG 3.170 . 5.170 2.668 2.086 4.056 . 0 0 "[ . 1 . 2]" 1
1233 1 80 ILE H 1 80 ILE MG 3.350 . 5.350 3.892 3.724 4.022 . 0 0 "[ . 1 . 2]" 1
1234 1 81 ARG HA 1 81 ARG HD3 3.840 . 5.840 4.409 3.733 4.664 . 0 0 "[ . 1 . 2]" 1
1235 1 81 ARG HA 1 81 ARG HD2 3.840 . 5.840 4.344 2.276 5.172 . 0 0 "[ . 1 . 2]" 1
1236 1 81 ARG HA 1 82 LEU QB 4.270 . 6.270 4.308 4.002 4.576 . 0 0 "[ . 1 . 2]" 1
1237 1 81 ARG HA 1 83 ASN QB 3.620 . 5.620 5.329 4.786 5.851 0.231 14 0 "[ . 1 . 2]" 1
1238 1 81 ARG HA 1 83 ASN H 4.260 . 6.260 3.665 3.372 3.968 . 0 0 "[ . 1 . 2]" 1
1239 1 81 ARG QB 1 83 ASN QB 4.400 . 6.400 3.470 2.569 4.202 . 0 0 "[ . 1 . 2]" 1
1240 1 81 ARG QB 1 83 ASN H 3.960 . 5.960 2.434 2.253 2.664 . 0 0 "[ . 1 . 2]" 1
1241 1 81 ARG H 1 81 ARG HD3 4.320 . 6.320 4.174 1.757 5.062 0.043 12 0 "[ . 1 . 2]" 1
1242 1 81 ARG H 1 81 ARG HD2 4.320 . 6.320 4.296 2.235 5.007 . 0 0 "[ . 1 . 2]" 1
1243 1 81 ARG H 1 81 ARG HE 5.330 . 7.330 5.119 1.370 5.832 0.430 12 0 "[ . 1 . 2]" 1
1244 1 81 ARG H 1 81 ARG HG3 4.130 . 6.130 2.821 2.159 3.859 . 0 0 "[ . 1 . 2]" 1
1245 1 81 ARG H 1 81 ARG HG2 4.130 . 6.130 3.490 1.984 4.293 . 0 0 "[ . 1 . 2]" 1
1246 1 81 ARG H 1 81 ARG QG 3.630 . 5.630 2.537 1.974 3.545 . 0 0 "[ . 1 . 2]" 1
1247 1 81 ARG H 1 83 ASN HD21 5.360 . 7.360 6.906 4.882 7.426 0.066 1 0 "[ . 1 . 2]" 1
1248 1 82 LEU HA 1 82 LEU QB 2.620 . 3.620 2.356 2.174 2.482 . 0 0 "[ . 1 . 2]" 1
1249 1 82 LEU HA 1 82 LEU QD 2.940 . 3.940 2.427 2.039 3.443 . 0 0 "[ . 1 . 2]" 1
1250 1 82 LEU HA 1 84 ARG H 4.090 . 6.090 3.182 2.998 3.651 . 0 0 "[ . 1 . 2]" 1
1251 1 82 LEU QB 1 82 LEU QD 2.630 . 3.630 1.959 1.923 2.046 . 0 0 "[ . 1 . 2]" 1
1252 1 82 LEU QB 1 83 ASN H 3.980 . 5.980 3.433 2.873 3.878 . 0 0 "[ . 1 . 2]" 1
1253 1 82 LEU QD 1 83 ASN H 4.160 . 6.160 3.767 2.074 4.421 . 0 0 "[ . 1 . 2]" 1
1254 1 82 LEU H 1 82 LEU HB3 4.090 . 6.090 3.187 2.411 3.651 . 0 0 "[ . 1 . 2]" 1
1255 1 82 LEU H 1 82 LEU HB2 4.090 . 6.090 2.692 2.242 3.645 . 0 0 "[ . 1 . 2]" 1
1256 1 82 LEU H 1 82 LEU QB 3.570 . 5.570 2.394 2.218 2.849 . 0 0 "[ . 1 . 2]" 1
1257 1 82 LEU H 1 82 LEU HG 4.700 . 6.700 3.348 1.792 4.524 0.008 13 0 "[ . 1 . 2]" 1
1258 1 82 LEU H 1 83 ASN HD21 4.870 . 6.870 5.652 3.982 6.958 0.088 13 0 "[ . 1 . 2]" 1
1259 1 82 LEU H 1 83 ASN H 3.880 . 5.880 2.469 2.346 2.620 . 0 0 "[ . 1 . 2]" 1
1260 1 83 ASN HA 1 84 ARG QG 4.230 . 6.230 4.885 3.948 6.191 . 0 0 "[ . 1 . 2]" 1
1261 1 83 ASN HA 1 84 ARG H 3.250 . 5.250 3.003 2.869 3.115 . 0 0 "[ . 1 . 2]" 1
1262 1 83 ASN HA 1 85 SER H 3.760 . 5.760 2.993 2.841 3.431 . 0 0 "[ . 1 . 2]" 1
1263 1 83 ASN QB 1 86 GLU HB3 4.180 . 6.180 4.143 2.527 5.848 . 0 0 "[ . 1 . 2]" 1
1264 1 83 ASN HD21 1 84 ARG H 4.740 . 6.740 5.255 2.656 6.331 . 0 0 "[ . 1 . 2]" 1
1265 1 83 ASN HD22 1 86 GLU HA 5.500 . 7.500 7.022 5.286 7.699 0.199 1 0 "[ . 1 . 2]" 1
1266 1 83 ASN HD22 1 86 GLU HB3 4.960 . 6.960 4.962 3.445 6.548 . 0 0 "[ . 1 . 2]" 1
1267 1 83 ASN HD22 1 86 GLU QG 3.950 . 5.950 4.717 2.924 5.805 . 0 0 "[ . 1 . 2]" 1
1268 1 83 ASN H 1 83 ASN HB3 3.450 . 5.450 2.736 2.417 3.555 . 0 0 "[ . 1 . 2]" 1
1269 1 83 ASN H 1 83 ASN HB2 3.450 . 5.450 3.454 2.199 3.711 . 0 0 "[ . 1 . 2]" 1
1270 1 83 ASN H 1 83 ASN QB 3.010 . 5.010 2.544 2.178 2.777 . 0 0 "[ . 1 . 2]" 1
1271 1 83 ASN H 1 83 ASN HD21 4.610 . 6.610 3.808 2.078 4.683 . 0 0 "[ . 1 . 2]" 1
1272 1 83 ASN H 1 83 ASN HD22 4.540 . 6.540 4.145 3.279 5.785 . 0 0 "[ . 1 . 2]" 1
1273 1 83 ASN H 1 84 ARG H 2.640 . 3.640 2.880 2.603 3.131 . 0 0 "[ . 1 . 2]" 1
1274 1 84 ARG HA 1 84 ARG QD 3.930 . 5.930 4.081 3.922 4.464 . 0 0 "[ . 1 . 2]" 1
1275 1 84 ARG HA 1 84 ARG QG 3.670 . 5.670 2.485 2.215 3.339 . 0 0 "[ . 1 . 2]" 1
1276 1 84 ARG HA 1 85 SER H 3.370 . 5.370 3.386 3.203 3.536 . 0 0 "[ . 1 . 2]" 1
1277 1 84 ARG QD 1 85 SER HA 5.340 . 7.340 6.199 5.159 6.686 . 0 0 "[ . 1 . 2]" 1
1278 1 84 ARG QD 1 85 SER QB 4.850 . 6.850 6.281 4.980 7.089 0.239 16 0 "[ . 1 . 2]" 1
1279 1 84 ARG QG 1 85 SER H 3.780 . 5.780 4.058 2.158 4.635 . 0 0 "[ . 1 . 2]" 1
1280 1 84 ARG QG 1 86 GLU H 4.710 . 6.710 5.271 4.289 5.869 . 0 0 "[ . 1 . 2]" 1
1281 1 84 ARG H 1 84 ARG QG 4.090 . 6.090 2.284 1.754 3.963 0.046 14 0 "[ . 1 . 2]" 1
1282 1 85 SER QB 1 86 GLU H 4.580 . 6.580 3.271 2.529 3.896 . 0 0 "[ . 1 . 2]" 1
1283 1 85 SER H 1 85 SER QB 3.070 . 5.070 2.461 2.289 2.731 . 0 0 "[ . 1 . 2]" 1
1284 1 85 SER H 1 86 GLU HB3 4.210 . 6.210 5.645 4.526 6.371 0.161 8 0 "[ . 1 . 2]" 1
1285 1 85 SER H 1 86 GLU QG 3.970 . 5.970 4.888 3.552 6.065 0.095 10 0 "[ . 1 . 2]" 1
1286 1 85 SER H 1 86 GLU H 3.380 . 5.380 2.490 2.155 2.841 . 0 0 "[ . 1 . 2]" 1
1287 1 86 GLU HA 1 87 ARG H 3.070 . 5.070 2.565 2.240 3.067 . 0 0 "[ . 1 . 2]" 1
1288 1 86 GLU HB3 1 87 ARG H 3.560 . 5.560 2.435 1.777 3.861 0.023 18 0 "[ . 1 . 2]" 1
1289 1 86 GLU HB3 1 88 TRP HE1 4.450 . 6.450 2.676 1.992 4.375 . 0 0 "[ . 1 . 2]" 1
1290 1 86 GLU HB2 1 87 ARG H 3.690 . 5.690 3.525 2.938 4.042 . 0 0 "[ . 1 . 2]" 1
1291 1 86 GLU HB2 1 88 TRP HE1 4.290 . 6.290 3.052 1.841 5.407 . 0 0 "[ . 1 . 2]" 1
1292 1 86 GLU QG 1 87 ARG H 4.190 . 6.190 3.120 1.745 4.427 0.055 16 0 "[ . 1 . 2]" 1
1293 1 86 GLU QG 1 88 TRP HE1 5.110 . 7.110 3.548 2.307 4.420 . 0 0 "[ . 1 . 2]" 1
1294 1 86 GLU H 1 86 GLU HB3 3.830 . 5.830 3.278 2.517 3.616 . 0 0 "[ . 1 . 2]" 1
1295 1 86 GLU H 1 86 GLU HB2 4.160 . 6.160 2.431 2.126 2.741 . 0 0 "[ . 1 . 2]" 1
1296 1 86 GLU H 1 86 GLU QG 4.210 . 6.210 3.057 2.229 4.148 . 0 0 "[ . 1 . 2]" 1
1297 1 86 GLU H 1 88 TRP HE1 5.070 . 7.070 4.884 3.991 7.251 0.181 12 0 "[ . 1 . 2]" 1
1298 1 87 ARG QB 1 87 ARG QD 2.650 . 3.650 2.201 2.098 2.511 . 0 0 "[ . 1 . 2]" 1
1299 1 87 ARG QB 1 88 TRP H 3.970 . 5.970 2.856 2.515 3.204 . 0 0 "[ . 1 . 2]" 1
1300 1 87 ARG QD 1 88 TRP H 4.540 . 6.540 4.856 3.495 5.626 . 0 0 "[ . 1 . 2]" 1
1301 1 87 ARG QG 1 88 TRP H 4.480 . 6.480 4.029 3.841 4.483 . 0 0 "[ . 1 . 2]" 1
1302 1 87 ARG H 1 87 ARG QB 3.140 . 5.140 2.654 2.306 3.284 . 0 0 "[ . 1 . 2]" 1
1303 1 87 ARG H 1 87 ARG QD 3.890 . 5.890 4.086 2.303 4.804 . 0 0 "[ . 1 . 2]" 1
1304 1 87 ARG H 1 87 ARG QG 3.640 . 5.640 2.636 2.225 3.153 . 0 0 "[ . 1 . 2]" 1
1305 1 87 ARG H 1 88 TRP HE1 4.370 . 6.370 4.168 3.563 5.478 . 0 0 "[ . 1 . 2]" 1
1306 1 87 ARG H 1 88 TRP H 4.430 . 6.430 4.445 4.195 4.608 . 0 0 "[ . 1 . 2]" 1
1307 1 88 TRP HA 1 88 TRP HE3 4.000 . 6.000 3.416 2.594 5.162 . 0 0 "[ . 1 . 2]" 1
1308 1 88 TRP HB3 1 89 ASP H 4.760 . 6.760 2.112 1.869 2.224 . 0 0 "[ . 1 . 2]" 1
1309 1 88 TRP HB2 1 89 ASP H 4.760 . 6.760 3.390 3.084 3.658 . 0 0 "[ . 1 . 2]" 1
1310 1 88 TRP QB 1 89 ASP HA 5.340 . 7.340 4.328 4.257 4.394 . 0 0 "[ . 1 . 2]" 1
1311 1 88 TRP QB 1 89 ASP H 3.950 . 5.950 2.092 1.854 2.206 . 0 0 "[ . 1 . 2]" 1
1312 1 88 TRP H 1 88 TRP HD1 4.630 . 6.630 3.514 3.038 4.478 . 0 0 "[ . 1 . 2]" 1
1313 1 88 TRP H 1 89 ASP H 4.780 . 6.780 4.383 4.331 4.399 . 0 0 "[ . 1 . 2]" 1
1314 1 89 ASP HA 1 90 ALA MB 4.460 . 6.460 3.804 3.782 3.827 . 0 0 "[ . 1 . 2]" 1
1315 1 89 ASP HB3 1 90 ALA H 3.210 . 5.210 2.497 1.829 3.146 . 0 0 "[ . 1 . 2]" 1
1316 1 89 ASP HB2 1 90 ALA H 3.210 . 5.210 3.357 2.707 3.665 . 0 0 "[ . 1 . 2]" 1
1317 1 89 ASP QB 1 90 ALA MB 4.030 . 6.030 4.286 3.935 4.505 . 0 0 "[ . 1 . 2]" 1
1318 1 90 ALA MB 1 91 TYR HA 4.640 . 6.640 4.052 3.883 4.155 . 0 0 "[ . 1 . 2]" 1
1319 1 90 ALA MB 1 91 TYR H 3.660 . 5.660 2.607 2.269 3.038 . 0 0 "[ . 1 . 2]" 1
1320 1 90 ALA H 1 90 ALA MB 3.240 . 5.240 2.808 2.739 2.866 . 0 0 "[ . 1 . 2]" 1
1321 1 91 TYR HA 1 91 TYR QD 4.290 . 6.290 2.749 2.357 3.673 . 0 0 "[ . 1 . 2]" 1
1322 1 91 TYR HA 1 92 CYS H 3.210 . 5.210 2.280 2.145 2.331 . 0 0 "[ . 1 . 2]" 1
1323 1 91 TYR HB3 1 92 CYS H 4.100 . 6.100 2.699 2.492 3.414 . 0 0 "[ . 1 . 2]" 1
1324 1 91 TYR HB2 1 92 CYS H 4.140 . 6.140 3.729 2.707 4.147 . 0 0 "[ . 1 . 2]" 1
1325 1 91 TYR H 1 91 TYR HB3 3.940 . 5.940 3.795 3.686 3.984 . 0 0 "[ . 1 . 2]" 1
1326 1 91 TYR H 1 91 TYR HB2 3.970 . 5.970 2.725 2.481 3.758 . 0 0 "[ . 1 . 2]" 1
1327 1 91 TYR H 1 91 TYR QD 4.450 . 6.450 3.097 2.619 3.574 . 0 0 "[ . 1 . 2]" 1
1328 1 92 CYS HA 1 93 TYR HA 3.560 . 5.560 4.547 4.442 4.638 . 0 0 "[ . 1 . 2]" 1
1329 1 92 CYS HA 1 93 TYR HB2 5.500 . 7.500 4.396 4.067 5.403 . 0 0 "[ . 1 . 2]" 1
1330 1 92 CYS HA 1 93 TYR H 3.370 . 5.370 2.474 2.175 2.714 . 0 0 "[ . 1 . 2]" 1
1331 1 92 CYS QB 1 93 TYR H 3.680 . 5.680 2.642 1.787 3.574 0.013 2 0 "[ . 1 . 2]" 1
1332 1 92 CYS H 1 92 CYS HB3 4.040 . 6.040 3.369 2.662 3.921 . 0 0 "[ . 1 . 2]" 1
1333 1 92 CYS H 1 92 CYS HB2 4.040 . 6.040 2.863 2.413 3.381 . 0 0 "[ . 1 . 2]" 1
1334 1 92 CYS H 1 92 CYS QB 3.480 . 5.480 2.650 2.378 2.842 . 0 0 "[ . 1 . 2]" 1
1335 1 92 CYS H 1 93 TYR H 3.900 . 5.900 4.369 4.291 4.460 . 0 0 "[ . 1 . 2]" 1
1336 1 93 TYR HA 1 94 ASN H 3.190 . 5.190 2.172 2.109 2.263 . 0 0 "[ . 1 . 2]" 1
1337 1 93 TYR HB3 1 94 ASN H 4.390 . 6.390 4.167 3.787 4.520 . 0 0 "[ . 1 . 2]" 1
1338 1 93 TYR QE 1 94 ASN H 4.040 . 6.040 4.295 3.271 5.144 . 0 0 "[ . 1 . 2]" 1
1339 1 93 TYR QE 1 95 PRO HA 4.540 . 6.540 3.907 2.721 5.705 . 0 0 "[ . 1 . 2]" 1
1340 1 93 TYR QE 1 95 PRO QB 4.590 . 6.590 4.320 2.348 5.631 . 0 0 "[ . 1 . 2]" 1
1341 1 93 TYR QE 1 95 PRO HD3 4.700 . 6.700 4.364 2.862 5.804 . 0 0 "[ . 1 . 2]" 1
1342 1 93 TYR QE 1 95 PRO HD2 4.700 . 6.700 5.543 3.765 6.623 . 0 0 "[ . 1 . 2]" 1
1343 1 93 TYR QE 1 95 PRO QD 4.040 . 6.040 4.195 2.779 5.454 . 0 0 "[ . 1 . 2]" 1
1344 1 93 TYR H 1 93 TYR HB3 3.850 . 5.850 2.792 2.487 3.037 . 0 0 "[ . 1 . 2]" 1
1345 1 93 TYR H 1 94 ASN H 4.900 . 6.900 4.222 3.884 4.493 . 0 0 "[ . 1 . 2]" 1
1346 1 94 ASN HA 1 95 PRO HA 4.620 . 6.620 4.480 4.415 4.654 . 0 0 "[ . 1 . 2]" 1
1347 1 94 ASN HA 1 95 PRO HD3 3.500 . 5.500 2.352 2.087 2.607 . 0 0 "[ . 1 . 2]" 1
1348 1 94 ASN HA 1 95 PRO HD2 3.500 . 5.500 2.478 2.282 3.097 . 0 0 "[ . 1 . 2]" 1
1349 1 94 ASN HA 1 95 PRO QD 3.050 . 5.050 2.119 2.052 2.161 . 0 0 "[ . 1 . 2]" 1
1350 1 94 ASN HA 1 95 PRO HG3 4.950 . 6.950 4.515 4.154 4.677 . 0 0 "[ . 1 . 2]" 1
1351 1 94 ASN HA 1 95 PRO HG2 4.950 . 6.950 4.589 4.489 4.828 . 0 0 "[ . 1 . 2]" 1
1352 1 94 ASN HA 1 95 PRO QG 4.330 . 6.330 4.048 3.892 4.100 . 0 0 "[ . 1 . 2]" 1
1353 1 94 ASN QB 1 95 PRO QD 4.600 . 6.600 2.669 2.126 3.812 . 0 0 "[ . 1 . 2]" 1
1354 1 94 ASN QB 1 96 HIS H 4.260 . 6.260 3.627 2.325 6.122 . 0 0 "[ . 1 . 2]" 1
1355 1 94 ASN QB 1 97 ALA MB 3.270 . 5.270 3.982 2.295 5.327 0.057 1 0 "[ . 1 . 2]" 1
1356 1 94 ASN QB 1 97 ALA H 3.760 . 5.760 4.607 3.256 5.780 0.020 4 0 "[ . 1 . 2]" 1
1357 1 94 ASN H 1 94 ASN QB 3.480 . 5.480 2.710 2.270 3.320 . 0 0 "[ . 1 . 2]" 1
1358 1 94 ASN H 1 95 PRO QD 5.350 . 7.350 4.219 3.275 4.495 . 0 0 "[ . 1 . 2]" 1
1359 1 94 ASN H 1 97 ALA MB 4.680 . 6.680 5.427 2.781 6.723 0.043 5 0 "[ . 1 . 2]" 1
1360 1 95 PRO QB 1 96 HIS H 3.910 . 5.910 3.482 2.320 3.981 . 0 0 "[ . 1 . 2]" 1
1361 1 95 PRO QD 1 96 HIS H 3.730 . 5.730 3.645 2.524 5.046 . 0 0 "[ . 1 . 2]" 1
1362 1 95 PRO QD 1 97 ALA H 4.840 . 6.840 5.743 4.000 7.002 0.162 15 0 "[ . 1 . 2]" 1
1363 1 95 PRO HG3 1 96 HIS H 4.280 . 6.280 4.819 4.161 5.804 . 0 0 "[ . 1 . 2]" 1
1364 1 95 PRO HG2 1 96 HIS H 4.280 . 6.280 4.100 2.719 5.675 . 0 0 "[ . 1 . 2]" 1
1365 1 95 PRO QG 1 96 HIS H 3.590 . 5.590 3.791 2.686 4.728 . 0 0 "[ . 1 . 2]" 1
1366 1 95 PRO QG 1 97 ALA H 5.040 . 7.040 5.934 4.965 7.028 . 0 0 "[ . 1 . 2]" 1
1367 1 96 HIS HA 1 97 ALA H 3.490 . 5.490 2.930 2.136 3.572 . 0 0 "[ . 1 . 2]" 1
1368 1 96 HIS HB3 1 97 ALA H 3.940 . 5.940 3.468 1.805 4.478 . 0 0 "[ . 1 . 2]" 1
1369 1 96 HIS HB2 1 97 ALA H 3.940 . 5.940 3.494 1.836 4.648 . 0 0 "[ . 1 . 2]" 1
1370 1 96 HIS QB 1 97 ALA MB 4.560 . 6.560 4.057 3.209 5.163 . 0 0 "[ . 1 . 2]" 1
1371 1 96 HIS QB 1 97 ALA H 3.450 . 5.450 2.948 1.782 4.055 0.018 15 0 "[ . 1 . 2]" 1
1372 1 96 HIS H 1 96 HIS HB3 3.490 . 5.490 3.282 2.495 4.008 . 0 0 "[ . 1 . 2]" 1
1373 1 96 HIS H 1 96 HIS HB2 3.490 . 5.490 3.074 2.423 3.950 . 0 0 "[ . 1 . 2]" 1
1374 1 96 HIS H 1 96 HIS QB 2.970 . 3.970 2.715 2.228 3.343 . 0 0 "[ . 1 . 2]" 1
1375 1 96 HIS H 1 97 ALA MB 4.400 . 6.400 4.345 3.483 5.034 . 0 0 "[ . 1 . 2]" 1
1376 1 96 HIS H 1 97 ALA H 3.070 . 5.070 3.438 1.943 4.509 . 0 0 "[ . 1 . 2]" 1
1377 1 97 ALA HA 1 98 LYS H 2.640 . 3.640 3.044 2.235 3.548 . 0 0 "[ . 1 . 2]" 1
1378 1 97 ALA MB 1 98 LYS H 3.160 . 5.160 2.353 1.712 3.709 0.088 7 0 "[ . 1 . 2]" 1
1379 1 97 ALA H 1 97 ALA MB 2.840 . 3.840 2.630 2.197 2.860 . 0 0 "[ . 1 . 2]" 1
1380 1 97 ALA H 1 98 LYS H 3.950 . 5.950 3.406 1.715 4.630 0.085 16 0 "[ . 1 . 2]" 1
1381 1 98 LYS HA 1 98 LYS QD 3.510 . 5.510 3.972 2.190 4.506 . 0 0 "[ . 1 . 2]" 1
1382 1 98 LYS QB 1 98 LYS QE 2.420 . 3.420 3.185 2.069 3.648 0.228 3 0 "[ . 1 . 2]" 1
1383 1 98 LYS H 1 98 LYS QB 2.930 . 3.930 2.937 2.354 3.437 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 23 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 CYS 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 23 CYS SG 1 92 CYS SG 2.100 . 2.200 2.025 2.021 2.033 . 0 0 "[ . 1 . 2]" 2
2 1 47 CYS SG 1 68 CYS SG 2.100 . 2.200 2.020 2.017 2.024 . 0 0 "[ . 1 . 2]" 2
3 1 23 CYS SG 1 92 CYS CB 3.100 3.000 3.200 3.062 3.013 3.158 . 0 0 "[ . 1 . 2]" 2
4 1 47 CYS SG 1 68 CYS CB 3.100 3.000 3.200 3.026 3.007 3.070 . 0 0 "[ . 1 . 2]" 2
5 1 23 CYS CB 1 92 CYS SG 3.100 3.000 3.200 3.065 3.033 3.114 . 0 0 "[ . 1 . 2]" 2
6 1 47 CYS CB 1 68 CYS SG 3.100 3.000 3.200 3.038 3.015 3.058 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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