NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387495 |
1mhi   |
1585 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mhi
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 333
_Distance_constraint_stats_list.Viol_count 671
_Distance_constraint_stats_list.Viol_total 1395.709
_Distance_constraint_stats_list.Viol_max 0.389
_Distance_constraint_stats_list.Viol_rms 0.0405
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0105
_Distance_constraint_stats_list.Viol_average_violations_only 0.1040
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 6.366 0.389 11 0 "[ . 1 . 2]"
1 3 VAL 6.253 0.389 11 0 "[ . 1 . 2]"
1 4 GLU 3.670 0.354 19 0 "[ . 1 . 2]"
1 5 GLN 0.174 0.174 20 0 "[ . 1 . 2]"
1 6 CYS 0.465 0.174 20 0 "[ . 1 . 2]"
1 7 CYS 1.402 0.341 16 0 "[ . 1 . 2]"
1 8 THR 2.580 0.341 16 0 "[ . 1 . 2]"
1 9 SER 0.016 0.016 10 0 "[ . 1 . 2]"
1 10 ILE 6.849 0.287 14 0 "[ . 1 . 2]"
1 11 CYS 0.284 0.151 13 0 "[ . 1 . 2]"
1 12 SER 4.263 0.273 12 0 "[ . 1 . 2]"
1 13 LEU 4.901 0.359 8 0 "[ . 1 . 2]"
1 14 TYR 3.493 0.359 8 0 "[ . 1 . 2]"
1 15 GLN 5.239 0.273 12 0 "[ . 1 . 2]"
1 16 LEU 6.172 0.300 16 0 "[ . 1 . 2]"
1 17 GLU 1.287 0.214 9 0 "[ . 1 . 2]"
1 18 ASN 0.171 0.091 12 0 "[ . 1 . 2]"
1 19 TYR 0.004 0.004 9 0 "[ . 1 . 2]"
1 20 CYS 3.079 0.204 8 0 "[ . 1 . 2]"
1 21 ASN 1.072 0.137 1 0 "[ . 1 . 2]"
2 1 PHE 0.103 0.078 6 0 "[ . 1 . 2]"
2 2 VAL 4.860 0.194 3 0 "[ . 1 . 2]"
2 3 ASN 2.130 0.192 12 0 "[ . 1 . 2]"
2 4 GLN 2.522 0.243 1 0 "[ . 1 . 2]"
2 5 HIS 0.599 0.155 14 0 "[ . 1 . 2]"
2 6 LEU 2.811 0.175 2 0 "[ . 1 . 2]"
2 7 CYS 0.622 0.110 16 0 "[ . 1 . 2]"
2 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 HIS 0.201 0.110 16 0 "[ . 1 . 2]"
2 11 LEU 0.772 0.201 16 0 "[ . 1 . 2]"
2 12 VAL 5.191 0.308 3 0 "[ . 1 . 2]"
2 13 GLU 3.676 0.308 3 0 "[ . 1 . 2]"
2 14 ALA 2.231 0.300 16 0 "[ . 1 . 2]"
2 15 LEU 8.196 0.363 9 0 "[ . 1 . 2]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 LEU 1.452 0.124 10 0 "[ . 1 . 2]"
2 18 VAL 2.242 0.315 7 0 "[ . 1 . 2]"
2 19 CYS 2.289 0.204 8 0 "[ . 1 . 2]"
2 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLU 0.598 0.159 16 0 "[ . 1 . 2]"
2 22 ARG 5.312 0.370 15 0 "[ . 1 . 2]"
2 23 GLY 2.455 0.370 15 0 "[ . 1 . 2]"
2 24 PHE 1.138 0.134 14 0 "[ . 1 . 2]"
2 25 PHE 0.218 0.095 17 0 "[ . 1 . 2]"
2 26 TYR 0.109 0.109 4 0 "[ . 1 . 2]"
2 27 THR 0.207 0.086 16 0 "[ . 1 . 2]"
2 28 PRO 0.756 0.133 10 0 "[ . 1 . 2]"
2 29 LYS 1.518 0.133 10 0 "[ . 1 . 2]"
2 30 THR 0.814 0.132 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ILE HA 1 2 ILE MD 3.380 . 5.880 3.949 3.549 4.261 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE HA 1 2 ILE QG 1.350 . 3.850 2.205 2.052 2.399 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE MD 1 2 ILE QG 4.050 . 6.550 1.782 1.690 1.949 0.310 11 0 "[ . 1 . 2]" 1
4 1 2 ILE MD 1 3 VAL QG 5.840 . 8.340 3.652 2.359 4.487 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE MD 1 19 TYR QD 6.660 . 9.160 3.553 2.581 4.687 . 0 0 "[ . 1 . 2]" 1
6 1 2 ILE MD 1 20 CYS H 4.530 . 7.030 5.193 4.367 5.814 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE MD 2 12 VAL HB 3.530 . 6.030 5.041 4.735 5.128 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE MD 2 15 LEU H 3.530 . 6.030 4.664 3.414 4.991 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE MD 2 26 TYR QD 5.660 . 8.160 3.061 2.110 5.877 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE MD 2 26 TYR QE 5.660 . 8.160 3.070 2.010 4.834 . 0 0 "[ . 1 . 2]" 1
11 1 2 ILE QG 1 3 VAL H 4.810 . 7.310 2.542 1.611 3.806 0.389 11 0 "[ . 1 . 2]" 1
12 1 2 ILE QG 1 19 TYR H 4.810 . 7.310 4.427 3.521 5.620 . 0 0 "[ . 1 . 2]" 1
13 1 2 ILE QG 1 20 CYS H 4.810 . 7.310 4.683 3.584 5.552 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE QG 2 11 LEU HA 4.810 . 7.310 5.067 3.806 5.705 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL HA 1 7 CYS QB 3.380 . 5.880 2.358 1.884 3.103 0.116 18 0 "[ . 1 . 2]" 1
16 1 3 VAL HB 1 3 VAL QG 1.460 . 3.960 1.940 1.879 1.964 0.121 16 0 "[ . 1 . 2]" 1
17 1 3 VAL QG 1 4 GLU H 4.810 . 7.310 2.042 1.646 3.087 0.354 19 0 "[ . 1 . 2]" 1
18 1 3 VAL QG 1 4 GLU HA 4.810 . 7.310 3.977 3.326 4.505 . 0 0 "[ . 1 . 2]" 1
19 1 3 VAL QG 1 7 CYS H 4.810 . 7.310 4.623 4.058 5.155 . 0 0 "[ . 1 . 2]" 1
20 1 3 VAL QG 1 7 CYS QB 5.690 . 8.190 3.533 2.629 4.116 . 0 0 "[ . 1 . 2]" 1
21 1 3 VAL QG 1 19 TYR QB 5.690 . 8.190 5.305 4.777 5.459 . 0 0 "[ . 1 . 2]" 1
22 1 3 VAL QG 2 26 TYR QE 6.940 . 9.440 3.822 1.891 5.967 0.109 4 0 "[ . 1 . 2]" 1
23 1 3 VAL QG 2 28 PRO HA 4.810 . 7.310 4.483 2.450 5.347 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLU HA 1 4 GLU QB 1.910 . 4.410 2.371 2.210 2.551 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLU HA 1 8 THR HA 2.500 . 5.000 4.668 4.206 5.178 0.178 13 0 "[ . 1 . 2]" 1
26 1 4 GLU HA 1 8 THR HB 2.500 . 5.000 2.460 1.970 4.219 0.030 20 0 "[ . 1 . 2]" 1
27 1 4 GLU HA 1 8 THR HG1 3.530 . 6.030 2.642 1.709 3.299 0.291 13 0 "[ . 1 . 2]" 1
28 1 4 GLU QG 1 8 THR HG1 4.410 . 6.910 3.731 2.122 4.944 . 0 0 "[ . 1 . 2]" 1
29 1 5 GLN H 1 5 GLN QB 1.320 . 3.820 2.628 2.067 3.463 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLN HA 1 5 GLN QB 1.910 . 4.410 2.365 2.185 2.522 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLN QB 1 19 TYR QE 6.510 . 9.010 5.133 3.638 7.246 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLN QG 1 6 CYS H 3.380 . 5.880 3.441 1.826 4.381 0.174 20 0 "[ . 1 . 2]" 1
33 1 5 GLN QG 1 19 TYR QE 6.510 . 9.010 5.117 2.705 7.269 . 0 0 "[ . 1 . 2]" 1
34 1 6 CYS H 1 6 CYS QB 1.320 . 3.820 2.440 2.297 2.743 . 0 0 "[ . 1 . 2]" 1
35 1 6 CYS HA 2 5 HIS HA 2.500 . 5.000 4.580 3.756 5.113 0.113 5 0 "[ . 1 . 2]" 1
36 1 7 CYS H 1 8 THR H 0.200 . 2.700 2.244 1.659 2.729 0.341 16 0 "[ . 1 . 2]" 1
37 1 7 CYS H 1 8 THR HG1 3.530 . 6.030 4.338 3.359 4.873 . 0 0 "[ . 1 . 2]" 1
38 1 7 CYS HA 2 5 HIS QB 3.380 . 5.880 4.244 3.272 5.125 . 0 0 "[ . 1 . 2]" 1
39 1 7 CYS HA 2 6 LEU H 2.500 . 5.000 3.461 2.510 5.057 0.057 5 0 "[ . 1 . 2]" 1
40 1 7 CYS HA 2 7 CYS HA 2.500 . 5.000 3.414 2.486 4.325 . 0 0 "[ . 1 . 2]" 1
41 1 7 CYS QB 1 16 LEU QD 5.690 . 8.190 5.323 5.138 5.547 . 0 0 "[ . 1 . 2]" 1
42 1 7 CYS QB 2 7 CYS HA 3.380 . 5.880 2.186 1.898 3.031 0.102 10 0 "[ . 1 . 2]" 1
43 1 8 THR H 1 10 ILE QG 5.380 . 7.880 5.535 4.373 6.125 . 0 0 "[ . 1 . 2]" 1
44 1 8 THR HA 1 8 THR HG1 1.380 . 3.880 2.265 1.985 2.947 0.015 11 0 "[ . 1 . 2]" 1
45 1 8 THR HB 1 8 THR HG1 0.880 . 3.380 2.000 1.858 2.142 0.142 20 0 "[ . 1 . 2]" 1
46 1 9 SER HA 2 5 HIS HE1 2.500 . 5.000 3.788 2.139 5.016 0.016 10 0 "[ . 1 . 2]" 1
47 1 10 ILE H 1 10 ILE HB 1.700 . 4.200 2.925 2.336 3.986 . 0 0 "[ . 1 . 2]" 1
48 1 10 ILE H 2 5 HIS HE1 2.500 . 5.000 3.970 2.028 5.009 0.009 15 0 "[ . 1 . 2]" 1
49 1 10 ILE HA 1 10 ILE MD 2.680 . 5.180 3.616 1.915 3.956 0.085 13 0 "[ . 1 . 2]" 1
50 1 10 ILE HA 1 10 ILE QG 2.390 . 4.850 2.152 1.948 2.421 0.052 14 0 "[ . 1 . 2]" 1
51 1 10 ILE HB 1 10 ILE QG . . 3.850 2.013 1.901 2.100 0.099 10 0 "[ . 1 . 2]" 1
52 1 10 ILE HB 2 5 HIS HE1 2.500 . 5.000 4.193 2.212 5.016 0.016 3 0 "[ . 1 . 2]" 1
53 1 10 ILE MD 1 10 ILE QG . . 3.200 1.752 1.713 1.807 0.287 14 0 "[ . 1 . 2]" 1
54 1 10 ILE MD 2 4 GLN NE2 3.530 . 6.030 4.267 2.401 5.082 . 0 0 "[ . 1 . 2]" 1
55 1 10 ILE MD 2 5 HIS HE1 3.530 . 6.030 3.547 2.124 5.070 . 0 0 "[ . 1 . 2]" 1
56 1 10 ILE QG 1 12 SER H 4.560 . 6.030 3.889 2.254 4.645 . 0 0 "[ . 1 . 2]" 1
57 1 10 ILE QG 2 3 ASN HA 5.530 . 8.030 4.067 1.953 6.111 0.047 14 0 "[ . 1 . 2]" 1
58 1 10 ILE QG 2 3 ASN QB 6.410 . 8.760 4.059 1.808 5.637 0.192 12 0 "[ . 1 . 2]" 1
59 1 10 ILE QG 2 4 GLN H 3.530 . 6.030 3.232 1.837 4.462 0.163 6 0 "[ . 1 . 2]" 1
60 1 10 ILE QG 2 4 GLN HA 3.380 . 5.880 2.837 1.757 4.513 0.243 1 0 "[ . 1 . 2]" 1
61 1 10 ILE QG 2 4 GLN QB 3.380 . 5.880 3.160 1.920 4.004 0.080 10 0 "[ . 1 . 2]" 1
62 1 10 ILE QG 2 4 GLN NE2 3.380 . 5.880 3.598 2.303 4.553 . 0 0 "[ . 1 . 2]" 1
63 1 10 ILE QG 2 5 HIS HD1 3.380 . 5.880 3.085 1.937 4.432 0.063 13 0 "[ . 1 . 2]" 1
64 1 10 ILE QG 2 5 HIS HE1 3.380 . 5.030 2.409 1.995 3.543 0.005 6 0 "[ . 1 . 2]" 1
65 1 11 CYS QB 1 12 SER H 2.360 . 4.860 3.275 1.849 4.196 0.151 13 0 "[ . 1 . 2]" 1
66 1 12 SER H 1 14 TYR QD 4.810 . 7.310 4.772 3.610 6.117 . 0 0 "[ . 1 . 2]" 1
67 1 12 SER H 1 14 TYR QE 4.810 . 7.310 4.102 1.979 5.982 0.021 4 0 "[ . 1 . 2]" 1
68 1 12 SER H 1 15 GLN H 2.500 . 5.000 4.035 2.805 4.965 . 0 0 "[ . 1 . 2]" 1
69 1 12 SER H 1 15 GLN QB 3.380 . 5.880 3.274 1.886 5.249 0.114 15 0 "[ . 1 . 2]" 1
70 1 12 SER HA 1 12 SER QB 1.910 . 4.410 2.289 2.012 2.450 . 0 0 "[ . 1 . 2]" 1
71 1 12 SER HA 1 13 LEU H 0.200 . 2.700 2.302 1.834 2.854 0.166 1 0 "[ . 1 . 2]" 1
72 1 12 SER HA 1 13 LEU QB 3.380 . 5.880 4.293 3.871 4.986 . 0 0 "[ . 1 . 2]" 1
73 1 12 SER HA 1 15 GLN H 2.500 . 4.000 4.158 3.909 4.273 0.273 12 0 "[ . 1 . 2]" 1
74 1 12 SER QB 1 15 GLN H 3.380 . 5.880 3.729 2.444 5.402 . 0 0 "[ . 1 . 2]" 1
75 1 13 LEU H 1 14 TYR H 0.200 . 2.700 2.799 2.524 3.003 0.303 11 0 "[ . 1 . 2]" 1
76 1 13 LEU HA 1 13 LEU QB 0.910 . 3.410 2.391 2.211 2.606 . 0 0 "[ . 1 . 2]" 1
77 1 13 LEU HA 1 13 LEU QD 2.380 . 4.880 2.255 2.002 3.281 . 0 0 "[ . 1 . 2]" 1
78 1 13 LEU HA 1 16 LEU QB 2.380 . 4.880 2.418 1.847 2.962 0.153 12 0 "[ . 1 . 2]" 1
79 1 13 LEU HA 2 18 VAL QG 4.810 . 7.310 3.221 2.147 4.019 . 0 0 "[ . 1 . 2]" 1
80 1 13 LEU QB 1 14 TYR H 2.360 . 4.860 2.272 1.878 3.521 0.122 10 0 "[ . 1 . 2]" 1
81 1 13 LEU QD 1 14 TYR H 4.810 . 7.310 3.312 1.641 3.852 0.359 8 0 "[ . 1 . 2]" 1
82 1 13 LEU QD 1 14 TYR QE 4.940 . 7.440 4.231 3.655 4.859 . 0 0 "[ . 1 . 2]" 1
83 1 13 LEU QD 1 17 GLU H 4.810 . 7.310 4.124 3.154 5.440 . 0 0 "[ . 1 . 2]" 1
84 1 13 LEU QD 1 17 GLU QG 5.690 . 8.190 4.243 2.688 5.156 . 0 0 "[ . 1 . 2]" 1
85 1 13 LEU QD 2 1 PHE QB 5.690 . 8.190 3.735 2.162 5.278 . 0 0 "[ . 1 . 2]" 1
86 1 13 LEU QD 2 1 PHE QD 6.940 . 9.440 3.711 2.335 5.026 . 0 0 "[ . 1 . 2]" 1
87 1 13 LEU QD 2 1 PHE QE 6.940 . 9.440 4.255 2.284 5.983 . 0 0 "[ . 1 . 2]" 1
88 1 13 LEU QD 2 18 VAL H 4.810 . 7.310 4.928 4.182 5.374 . 0 0 "[ . 1 . 2]" 1
89 1 13 LEU QD 2 18 VAL HA 4.810 . 7.310 3.727 2.749 5.107 . 0 0 "[ . 1 . 2]" 1
90 1 13 LEU QD 2 18 VAL HB 4.810 . 7.310 3.978 2.697 5.274 . 0 0 "[ . 1 . 2]" 1
91 1 13 LEU QD 2 18 VAL QG 7.120 . 9.620 2.231 1.685 2.935 0.315 7 0 "[ . 1 . 2]" 1
92 1 13 LEU HG 1 14 TYR HA 2.500 . 5.000 4.027 3.244 5.178 0.178 5 0 "[ . 1 . 2]" 1
93 1 14 TYR H 1 14 TYR QB 1.320 . 3.820 2.968 2.342 3.206 . 0 0 "[ . 1 . 2]" 1
94 1 14 TYR HA 1 14 TYR QB 0.910 . 3.410 2.196 2.111 2.269 . 0 0 "[ . 1 . 2]" 1
95 1 14 TYR HA 1 17 GLU QB 2.380 . 4.880 3.370 2.012 4.275 . 0 0 "[ . 1 . 2]" 1
96 1 14 TYR QB 1 15 GLN HA 3.380 . 5.880 4.132 3.497 4.748 . 0 0 "[ . 1 . 2]" 1
97 1 14 TYR QB 1 15 GLN QB 4.260 . 6.760 4.589 3.569 5.211 . 0 0 "[ . 1 . 2]" 1
98 1 14 TYR QB 1 18 ASN QB 4.260 . 6.760 5.035 3.934 5.409 . 0 0 "[ . 1 . 2]" 1
99 1 14 TYR QD 1 15 GLN QG 5.510 . 8.010 3.201 2.000 5.696 . 0 0 "[ . 1 . 2]" 1
100 1 14 TYR QD 1 17 GLU QG 5.510 . 8.010 5.338 4.614 6.481 . 0 0 "[ . 1 . 2]" 1
101 1 14 TYR QE 1 15 GLN HA 4.630 . 7.130 6.108 3.599 6.594 . 0 0 "[ . 1 . 2]" 1
102 1 15 GLN H 1 15 GLN QB 1.320 . 3.820 2.447 2.166 2.951 . 0 0 "[ . 1 . 2]" 1
103 1 15 GLN HA 1 15 GLN QB 0.410 . 2.910 2.426 2.162 2.577 . 0 0 "[ . 1 . 2]" 1
104 1 15 GLN HA 1 16 LEU H 0.700 . 3.200 3.113 2.531 3.419 0.219 7 0 "[ . 1 . 2]" 1
105 1 15 GLN HA 1 18 ASN QB 3.380 . 5.880 2.433 2.003 2.810 . 0 0 "[ . 1 . 2]" 1
106 1 15 GLN QB 1 16 LEU H 2.380 . 4.880 3.126 2.323 3.953 . 0 0 "[ . 1 . 2]" 1
107 1 15 GLN QB 1 18 ASN OD1 3.380 . 5.880 4.944 4.458 5.228 . 0 0 "[ . 1 . 2]" 1
108 1 15 GLN QG 1 16 LEU QD 5.690 . 8.190 4.585 3.439 5.487 . 0 0 "[ . 1 . 2]" 1
109 1 16 LEU H 1 16 LEU HA 0.200 . 2.700 2.829 2.711 2.890 0.190 16 0 "[ . 1 . 2]" 1
110 1 16 LEU H 1 16 LEU QB 2.320 . 4.820 2.412 2.186 2.820 . 0 0 "[ . 1 . 2]" 1
111 1 16 LEU H 1 16 LEU HG 1.700 . 4.200 3.447 2.185 4.311 0.111 12 0 "[ . 1 . 2]" 1
112 1 16 LEU HA 1 16 LEU QB 0.410 . 2.910 2.550 2.445 2.631 . 0 0 "[ . 1 . 2]" 1
113 1 16 LEU HA 1 16 LEU QD 3.380 . 5.880 2.104 1.825 2.976 0.175 20 0 "[ . 1 . 2]" 1
114 1 16 LEU HA 1 19 TYR QB 2.380 . 4.880 3.856 2.904 4.470 . 0 0 "[ . 1 . 2]" 1
115 1 16 LEU HA 2 11 LEU QD 4.810 . 7.310 4.645 3.833 5.220 . 0 0 "[ . 1 . 2]" 1
116 1 16 LEU HA 2 15 LEU QD 4.810 . 7.310 3.832 2.403 5.360 . 0 0 "[ . 1 . 2]" 1
117 1 16 LEU QB 1 17 GLU H 2.380 . 4.880 2.514 2.236 2.786 . 0 0 "[ . 1 . 2]" 1
118 1 16 LEU QB 1 19 TYR QE 6.510 . 9.010 4.831 2.453 6.294 . 0 0 "[ . 1 . 2]" 1
119 1 16 LEU QB 2 18 VAL HA 3.380 . 5.880 5.243 4.946 5.392 . 0 0 "[ . 1 . 2]" 1
120 1 16 LEU QD 1 17 GLU H 4.810 . 7.310 3.982 3.686 4.273 . 0 0 "[ . 1 . 2]" 1
121 1 16 LEU QD 1 17 GLU HA 4.810 . 7.310 5.171 4.785 5.421 . 0 0 "[ . 1 . 2]" 1
122 1 16 LEU QD 1 17 GLU QG 5.690 . 8.190 5.068 4.147 5.583 . 0 0 "[ . 1 . 2]" 1
123 1 16 LEU QD 2 14 ALA MB 5.840 . 8.340 2.235 1.700 2.965 0.300 16 0 "[ . 1 . 2]" 1
124 1 16 LEU QD 2 18 VAL QG 7.120 . 9.620 2.747 1.963 3.349 0.037 1 0 "[ . 1 . 2]" 1
125 1 16 LEU HG 1 17 GLU H 2.500 . 5.000 4.607 4.091 5.013 0.013 20 0 "[ . 1 . 2]" 1
126 1 16 LEU HG 2 15 LEU QD 4.810 . 7.310 4.368 2.889 5.391 . 0 0 "[ . 1 . 2]" 1
127 1 17 GLU H 1 17 GLU QB 0.820 . 3.320 2.426 1.967 2.631 0.033 17 0 "[ . 1 . 2]" 1
128 1 17 GLU H 1 17 GLU QG 2.570 . 5.070 2.391 1.829 3.727 0.171 19 0 "[ . 1 . 2]" 1
129 1 17 GLU H 1 18 ASN QB 3.380 . 5.880 4.166 3.443 4.458 . 0 0 "[ . 1 . 2]" 1
130 1 17 GLU H 2 18 VAL QG 4.810 . 7.310 2.775 2.095 4.038 . 0 0 "[ . 1 . 2]" 1
131 1 17 GLU HA 1 17 GLU QB 1.910 . 4.410 2.305 2.207 2.538 . 0 0 "[ . 1 . 2]" 1
132 1 17 GLU HA 1 18 ASN QB 3.380 . 5.880 5.033 4.685 5.200 . 0 0 "[ . 1 . 2]" 1
133 1 17 GLU HA 1 20 CYS QB 3.380 . 5.880 2.535 1.877 3.978 0.123 8 0 "[ . 1 . 2]" 1
134 1 17 GLU QB 1 18 ASN H 2.380 . 4.880 2.964 2.046 3.464 . 0 0 "[ . 1 . 2]" 1
135 1 17 GLU QG 1 19 TYR QE 5.510 . 8.010 6.074 5.442 6.721 . 0 0 "[ . 1 . 2]" 1
136 1 17 GLU QG 2 18 VAL QG 5.690 . 8.190 3.172 1.786 5.414 0.214 9 0 "[ . 1 . 2]" 1
137 1 18 ASN H 1 18 ASN QB 0.820 . 3.320 2.165 1.909 2.382 0.091 12 0 "[ . 1 . 2]" 1
138 1 18 ASN H 1 19 TYR H 2.100 . 4.600 2.883 1.996 3.095 0.004 9 0 "[ . 1 . 2]" 1
139 1 18 ASN HA 1 18 ASN QB 1.910 . 4.410 2.439 2.343 2.546 . 0 0 "[ . 1 . 2]" 1
140 1 18 ASN HA 1 19 TYR H 2.100 . 4.600 3.392 3.177 3.480 . 0 0 "[ . 1 . 2]" 1
141 1 18 ASN QB 1 19 TYR H 2.360 . 4.860 2.908 2.570 3.436 . 0 0 "[ . 1 . 2]" 1
142 1 18 ASN QB 1 19 TYR QB 4.260 . 6.760 4.266 3.554 4.836 . 0 0 "[ . 1 . 2]" 1
143 1 18 ASN QB 1 20 CYS H 3.380 . 5.880 4.675 4.329 5.235 . 0 0 "[ . 1 . 2]" 1
144 1 19 TYR H 1 19 TYR QB 1.320 . 3.820 2.712 2.338 3.174 . 0 0 "[ . 1 . 2]" 1
145 1 19 TYR HA 1 19 TYR QB 1.910 . 4.410 2.339 2.215 2.455 . 0 0 "[ . 1 . 2]" 1
146 1 19 TYR QB 2 15 LEU QD 5.690 . 8.010 3.300 2.121 5.322 . 0 0 "[ . 1 . 2]" 1
147 1 19 TYR QD 2 15 LEU QD 7.140 . 9.640 3.441 2.017 4.424 . 0 0 "[ . 1 . 2]" 1
148 1 19 TYR QD 2 15 LEU HG 4.810 . 7.310 5.659 4.328 6.642 . 0 0 "[ . 1 . 2]" 1
149 1 19 TYR QE 1 20 CYS QB 5.610 . 8.110 5.207 2.141 6.566 . 0 0 "[ . 1 . 2]" 1
150 1 20 CYS H 1 20 CYS QB 1.320 . 3.820 2.229 2.003 2.399 . 0 0 "[ . 1 . 2]" 1
151 1 20 CYS H 2 25 PHE H 2.500 . 5.000 4.866 4.571 5.095 0.095 17 0 "[ . 1 . 2]" 1
152 1 20 CYS HA 1 21 ASN H 0.700 . 3.200 2.652 1.988 3.337 0.137 1 0 "[ . 1 . 2]" 1
153 1 20 CYS HA 2 19 CYS H 2.500 . 5.000 5.105 5.017 5.204 0.204 8 0 "[ . 1 . 2]" 1
154 1 20 CYS QB 1 21 ASN H 2.580 . 5.080 3.435 2.027 3.988 . 0 0 "[ . 1 . 2]" 1
155 1 20 CYS QB 2 15 LEU H 3.380 . 5.880 5.022 4.510 5.353 . 0 0 "[ . 1 . 2]" 1
156 1 21 ASN CG 1 21 ASN H 0.700 . 3.200 2.747 2.271 3.231 0.031 6 0 "[ . 1 . 2]" 1
157 1 21 ASN H 1 21 ASN QB 2.350 . 4.850 2.795 2.237 3.508 . 0 0 "[ . 1 . 2]" 1
158 1 21 ASN H 2 22 ARG QB 3.380 . 5.880 4.724 2.770 5.380 . 0 0 "[ . 1 . 2]" 1
159 1 21 ASN H 2 24 PHE H 2.500 . 5.000 4.712 3.909 5.061 0.061 7 0 "[ . 1 . 2]" 1
160 1 21 ASN H 2 24 PHE HA 2.500 . 5.000 4.094 1.987 5.064 0.064 8 0 "[ . 1 . 2]" 1
161 1 21 ASN H 2 25 PHE H 4.500 . 7.000 3.970 2.215 5.234 . 0 0 "[ . 1 . 2]" 1
162 1 21 ASN QB 1 21 ASN OD1 2.580 . 5.080 2.521 2.326 2.692 . 0 0 "[ . 1 . 2]" 1
163 1 21 ASN OD1 2 22 ARG H 5.500 . 8.000 6.475 1.991 8.037 0.037 8 0 "[ . 1 . 2]" 1
164 1 21 ASN OD1 2 25 PHE QE 4.630 . 7.130 4.976 2.290 6.626 . 0 0 "[ . 1 . 2]" 1
165 2 1 PHE HA 2 2 VAL H 0.200 . 2.700 2.573 2.237 2.778 0.078 6 0 "[ . 1 . 2]" 1
166 2 1 PHE HA 2 2 VAL QG 4.810 . 7.310 3.659 3.032 4.274 . 0 0 "[ . 1 . 2]" 1
167 2 1 PHE QB 2 1 PHE QD 3.210 . 5.710 2.171 2.139 2.307 . 0 0 "[ . 1 . 2]" 1
168 2 1 PHE QB 2 2 VAL H 2.360 . 4.860 3.570 2.196 4.127 . 0 0 "[ . 1 . 2]" 1
169 2 1 PHE QD 2 2 VAL H 4.810 . 7.310 3.773 2.268 4.930 . 0 0 "[ . 1 . 2]" 1
170 2 1 PHE QD 2 2 VAL QG 6.940 . 9.440 3.969 2.904 5.109 . 0 0 "[ . 1 . 2]" 1
171 2 1 PHE QE 2 2 VAL QG 6.940 . 9.440 4.693 2.334 6.278 . 0 0 "[ . 1 . 2]" 1
172 2 2 VAL H 2 2 VAL HA 0.200 . 2.700 2.830 2.716 2.894 0.194 3 0 "[ . 1 . 2]" 1
173 2 2 VAL H 2 3 ASN ND2 2.500 . 5.000 4.743 3.836 5.147 0.147 12 0 "[ . 1 . 2]" 1
174 2 2 VAL HA 2 2 VAL QG 0.700 . 3.200 2.297 2.140 2.448 . 0 0 "[ . 1 . 2]" 1
175 2 2 VAL HA 2 3 ASN H 0.200 . 2.700 2.327 1.917 2.777 0.083 16 0 "[ . 1 . 2]" 1
176 2 2 VAL HA 2 3 ASN QB 3.380 . 5.880 4.506 3.909 4.955 . 0 0 "[ . 1 . 2]" 1
177 2 2 VAL HB 2 2 VAL QG 3.010 . 5.510 1.948 1.930 1.969 0.070 6 0 "[ . 1 . 2]" 1
178 2 2 VAL HB 2 4 GLN NE2 2.500 . 5.000 4.446 2.503 5.064 0.064 1 0 "[ . 1 . 2]" 1
179 2 2 VAL QG 2 3 ASN QB 5.690 . 8.190 4.340 3.161 5.089 . 0 0 "[ . 1 . 2]" 1
180 2 2 VAL QG 2 4 GLN H 4.810 . 7.310 4.167 2.933 4.970 . 0 0 "[ . 1 . 2]" 1
181 2 3 ASN HA 2 4 GLN H 0.700 . 3.200 2.919 2.247 3.338 0.138 20 0 "[ . 1 . 2]" 1
182 2 3 ASN QB 2 4 GLN H 2.360 . 4.860 3.299 2.126 4.003 . 0 0 "[ . 1 . 2]" 1
183 2 3 ASN QB 2 6 LEU QD 5.690 . 8.190 4.128 1.844 5.455 0.156 4 0 "[ . 1 . 2]" 1
184 2 4 GLN H 2 4 GLN QB 1.320 . 3.820 2.933 2.288 3.480 . 0 0 "[ . 1 . 2]" 1
185 2 4 GLN HA 2 4 GLN QB 0.910 . 3.410 2.334 2.179 2.500 . 0 0 "[ . 1 . 2]" 1
186 2 4 GLN QB 2 6 LEU QB 6.260 . 8.760 5.358 3.525 7.001 . 0 0 "[ . 1 . 2]" 1
187 2 4 GLN QB 2 6 LEU QD 5.690 . 8.190 3.863 1.830 5.314 0.170 17 0 "[ . 1 . 2]" 1
188 2 4 GLN QG 2 5 HIS H 3.380 . 5.880 3.846 1.845 4.842 0.155 14 0 "[ . 1 . 2]" 1
189 2 4 GLN QG 2 6 LEU QD 7.490 . 9.990 4.425 2.038 5.794 . 0 0 "[ . 1 . 2]" 1
190 2 5 HIS H 2 5 HIS QB 2.320 . 4.820 2.594 2.271 3.050 . 0 0 "[ . 1 . 2]" 1
191 2 5 HIS HA 2 5 HIS QB 1.910 . 4.410 2.378 2.200 2.540 . 0 0 "[ . 1 . 2]" 1
192 2 5 HIS HA 2 6 LEU H 0.200 . 2.700 2.347 2.070 2.710 0.010 6 0 "[ . 1 . 2]" 1
193 2 5 HIS QB 2 6 LEU H 2.360 . 4.860 3.689 1.973 3.952 0.027 5 0 "[ . 1 . 2]" 1
194 2 6 LEU HA 2 6 LEU QB 1.910 . 4.410 2.321 2.193 2.507 . 0 0 "[ . 1 . 2]" 1
195 2 6 LEU HA 2 6 LEU QD 3.010 . 5.510 2.836 2.026 3.446 . 0 0 "[ . 1 . 2]" 1
196 2 6 LEU HA 2 7 CYS QB 3.380 . 5.880 3.990 3.809 4.395 . 0 0 "[ . 1 . 2]" 1
197 2 6 LEU HA 2 10 HIS QB 3.380 . 5.880 3.618 2.287 4.759 . 0 0 "[ . 1 . 2]" 1
198 2 6 LEU QB 2 6 LEU QD 3.890 . 6.390 1.943 1.858 2.113 0.142 7 0 "[ . 1 . 2]" 1
199 2 6 LEU QB 2 11 LEU HA 3.380 . 5.880 2.972 1.981 5.040 0.019 5 0 "[ . 1 . 2]" 1
200 2 6 LEU QB 2 11 LEU QD 5.690 . 8.190 3.128 1.907 4.908 0.093 18 0 "[ . 1 . 2]" 1
201 2 6 LEU QD 2 10 HIS HA 6.810 . 9.310 4.370 3.360 5.102 . 0 0 "[ . 1 . 2]" 1
202 2 6 LEU QD 2 10 HIS QB 5.690 . 8.190 3.570 2.376 4.499 . 0 0 "[ . 1 . 2]" 1
203 2 6 LEU QD 2 11 LEU HA 4.810 . 7.310 2.723 1.847 4.782 0.153 7 0 "[ . 1 . 2]" 1
204 2 6 LEU QD 2 14 ALA H 4.810 . 7.310 4.237 3.296 5.381 . 0 0 "[ . 1 . 2]" 1
205 2 6 LEU QD 2 14 ALA MB 5.690 . 8.190 2.480 1.825 4.019 0.175 2 0 "[ . 1 . 2]" 1
206 2 6 LEU HG 2 7 CYS H 2.500 . 5.000 4.657 4.182 5.061 0.061 15 0 "[ . 1 . 2]" 1
207 2 6 LEU HG 2 11 LEU HA 2.500 . 5.000 3.997 2.151 5.075 0.075 16 0 "[ . 1 . 2]" 1
208 2 7 CYS H 2 7 CYS QB 2.320 . 4.820 2.431 2.282 2.629 . 0 0 "[ . 1 . 2]" 1
209 2 7 CYS H 2 10 HIS H 2.500 . 5.000 4.796 4.337 5.110 0.110 16 0 "[ . 1 . 2]" 1
210 2 7 CYS H 2 10 HIS QB 3.380 . 5.880 3.249 2.242 4.714 . 0 0 "[ . 1 . 2]" 1
211 2 7 CYS QB 2 8 GLY H 2.360 . 4.860 2.793 2.290 4.015 . 0 0 "[ . 1 . 2]" 1
212 2 7 CYS QB 2 8 GLY QA 4.180 . 6.680 3.970 3.711 4.423 . 0 0 "[ . 1 . 2]" 1
213 2 8 GLY H 2 8 GLY QA 0.870 . 3.370 2.328 2.223 2.471 . 0 0 "[ . 1 . 2]" 1
214 2 8 GLY QA 2 9 ASP QB 4.180 . 6.680 4.065 3.900 4.232 . 0 0 "[ . 1 . 2]" 1
215 2 8 GLY QA 2 10 HIS H 2.140 . 4.640 4.094 3.703 4.219 . 0 0 "[ . 1 . 2]" 1
216 2 8 GLY QA 2 12 VAL H 2.140 . 4.640 4.038 3.859 4.155 . 0 0 "[ . 1 . 2]" 1
217 2 9 ASP H 2 9 ASP QB 0.820 . 3.320 2.434 2.229 2.664 . 0 0 "[ . 1 . 2]" 1
218 2 9 ASP HA 2 9 ASP QB 0.910 . 3.410 2.328 2.240 2.426 . 0 0 "[ . 1 . 2]" 1
219 2 10 HIS H 2 10 HIS QB 1.320 . 3.820 2.199 2.043 2.493 . 0 0 "[ . 1 . 2]" 1
220 2 10 HIS HA 2 10 HIS QB 1.910 . 4.410 2.365 2.133 2.518 . 0 0 "[ . 1 . 2]" 1
221 2 10 HIS HA 2 13 GLU QB 3.380 . 5.880 2.721 2.151 3.884 . 0 0 "[ . 1 . 2]" 1
222 2 10 HIS HA 2 13 GLU QG 3.380 . 5.880 3.465 2.166 4.687 . 0 0 "[ . 1 . 2]" 1
223 2 10 HIS QB 2 12 VAL QG 5.610 . 8.110 4.940 4.859 5.052 . 0 0 "[ . 1 . 2]" 1
224 2 11 LEU HA 2 14 ALA MB 3.530 . 6.030 2.635 1.799 3.554 0.201 16 0 "[ . 1 . 2]" 1
225 2 11 LEU QD 2 12 VAL HA 4.810 . 7.310 4.029 2.491 4.538 . 0 0 "[ . 1 . 2]" 1
226 2 11 LEU QD 2 14 ALA MB 3.510 . 6.010 2.958 2.554 3.701 . 0 0 "[ . 1 . 2]" 1
227 2 11 LEU QD 2 15 LEU HG 4.810 . 7.310 3.656 2.135 4.891 . 0 0 "[ . 1 . 2]" 1
228 2 11 LEU QD 2 26 TYR QE 7.120 . 9.620 3.967 2.040 5.508 . 0 0 "[ . 1 . 2]" 1
229 2 11 LEU HG 2 12 VAL HA 2.500 . 5.000 3.943 3.377 5.009 0.009 6 0 "[ . 1 . 2]" 1
230 2 11 LEU HG 2 26 TYR QE 4.810 . 7.310 5.139 2.508 6.608 . 0 0 "[ . 1 . 2]" 1
231 2 12 VAL HA 2 12 VAL QG 3.010 . 5.510 2.348 2.274 2.467 . 0 0 "[ . 1 . 2]" 1
232 2 12 VAL HA 2 15 LEU QB 3.380 . 5.880 2.934 2.038 4.445 . 0 0 "[ . 1 . 2]" 1
233 2 12 VAL HA 2 15 LEU QD 6.810 . 9.310 2.051 1.741 3.966 0.259 9 0 "[ . 1 . 2]" 1
234 2 12 VAL HA 2 15 LEU HG 4.500 . 7.000 2.776 1.962 4.242 0.038 15 0 "[ . 1 . 2]" 1
235 2 12 VAL HB 2 24 PHE QD 4.810 . 7.310 6.067 4.317 6.844 . 0 0 "[ . 1 . 2]" 1
236 2 12 VAL HB 2 24 PHE QE 4.810 . 7.310 5.086 3.529 6.531 . 0 0 "[ . 1 . 2]" 1
237 2 12 VAL QG 2 13 GLU H 4.810 . 7.310 1.818 1.692 2.006 0.308 3 0 "[ . 1 . 2]" 1
238 2 12 VAL QG 2 14 ALA H 4.810 . 7.310 3.789 3.579 3.982 . 0 0 "[ . 1 . 2]" 1
239 2 12 VAL QG 2 14 ALA HA 4.810 . 7.310 5.534 5.468 5.583 . 0 0 "[ . 1 . 2]" 1
240 2 12 VAL QG 2 15 LEU H 4.810 . 7.310 4.075 3.848 4.368 . 0 0 "[ . 1 . 2]" 1
241 2 13 GLU H 2 13 GLU QB 2.320 . 4.820 2.252 1.974 2.557 0.026 6 0 "[ . 1 . 2]" 1
242 2 13 GLU H 2 13 GLU QG 1.570 . 4.070 2.920 2.069 3.819 . 0 0 "[ . 1 . 2]" 1
243 2 13 GLU H 2 14 ALA MB 3.530 . 6.030 4.363 4.183 4.517 . 0 0 "[ . 1 . 2]" 1
244 2 13 GLU H 2 16 TYR QD 4.810 . 7.310 5.499 4.165 6.791 . 0 0 "[ . 1 . 2]" 1
245 2 13 GLU HA 2 13 GLU QG 2.350 . 4.850 2.743 2.254 3.408 . 0 0 "[ . 1 . 2]" 1
246 2 13 GLU HA 2 16 TYR QB 3.380 . 5.880 3.231 2.090 4.532 . 0 0 "[ . 1 . 2]" 1
247 2 13 GLU HA 2 16 TYR QD 4.810 . 7.310 3.347 2.002 5.231 . 0 0 "[ . 1 . 2]" 1
248 2 13 GLU QB 2 14 ALA H 2.360 . 4.860 2.702 2.248 3.604 . 0 0 "[ . 1 . 2]" 1
249 2 14 ALA H 2 14 ALA MB 0.890 . 3.390 2.235 2.150 2.328 . 0 0 "[ . 1 . 2]" 1
250 2 14 ALA H 2 15 LEU H 0.200 . 2.700 2.615 2.090 2.791 0.091 7 0 "[ . 1 . 2]" 1
251 2 14 ALA H 2 15 LEU QB 3.380 . 5.880 4.663 3.629 5.276 . 0 0 "[ . 1 . 2]" 1
252 2 14 ALA H 2 15 LEU HG 2.500 . 5.000 4.506 3.376 5.156 0.156 18 0 "[ . 1 . 2]" 1
253 2 14 ALA HA 2 14 ALA MB 0.410 . 2.910 2.251 2.214 2.299 . 0 0 "[ . 1 . 2]" 1
254 2 14 ALA HA 2 17 LEU QB 3.380 . 5.880 2.865 2.145 4.406 . 0 0 "[ . 1 . 2]" 1
255 2 14 ALA HA 2 17 LEU QD 4.810 . 7.310 3.207 2.288 3.859 . 0 0 "[ . 1 . 2]" 1
256 2 14 ALA HA 2 18 VAL QG 4.810 . 7.310 3.853 3.108 4.658 . 0 0 "[ . 1 . 2]" 1
257 2 14 ALA MB 2 15 LEU HA 3.530 . 6.030 3.926 3.833 3.992 . 0 0 "[ . 1 . 2]" 1
258 2 14 ALA MB 2 15 LEU QB 4.410 . 6.910 4.270 3.870 4.547 . 0 0 "[ . 1 . 2]" 1
259 2 14 ALA MB 2 18 VAL QG 5.840 . 8.340 3.301 2.121 4.263 . 0 0 "[ . 1 . 2]" 1
260 2 15 LEU H 2 15 LEU QD 4.010 . 6.510 2.722 1.637 3.222 0.363 9 0 "[ . 1 . 2]" 1
261 2 15 LEU HA 2 15 LEU QB 0.910 . 3.410 2.341 2.139 2.549 . 0 0 "[ . 1 . 2]" 1
262 2 15 LEU HA 2 15 LEU QD 2.380 . 4.880 2.588 2.019 3.465 . 0 0 "[ . 1 . 2]" 1
263 2 15 LEU HA 2 15 LEU HG 1.700 . 4.200 3.160 2.098 3.902 . 0 0 "[ . 1 . 2]" 1
264 2 15 LEU HA 2 18 VAL HB 2.500 . 5.000 3.291 1.980 5.066 0.066 5 0 "[ . 1 . 2]" 1
265 2 15 LEU HA 2 18 VAL QG 4.810 . 7.310 2.563 1.821 3.425 0.179 19 0 "[ . 1 . 2]" 1
266 2 15 LEU QB 2 15 LEU QD 3.390 . 5.890 1.921 1.827 2.101 0.173 19 0 "[ . 1 . 2]" 1
267 2 15 LEU QB 2 15 LEU HG 1.580 . 4.080 2.399 2.200 2.571 . 0 0 "[ . 1 . 2]" 1
268 2 15 LEU QB 2 18 VAL QG 5.690 . 8.190 3.929 3.067 4.741 . 0 0 "[ . 1 . 2]" 1
269 2 15 LEU QB 2 19 CYS QB 4.260 . 6.760 4.759 3.916 5.234 . 0 0 "[ . 1 . 2]" 1
270 2 15 LEU QB 2 24 PHE QD 5.510 . 8.010 3.320 2.016 4.982 . 0 0 "[ . 1 . 2]" 1
271 2 15 LEU QB 2 24 PHE QE 5.510 . 8.010 3.244 1.895 5.785 0.105 5 0 "[ . 1 . 2]" 1
272 2 15 LEU QD 2 15 LEU HG 0.700 . 3.200 1.923 1.862 1.957 0.138 15 0 "[ . 1 . 2]" 1
273 2 15 LEU QD 2 24 PHE QD 7.120 . 9.620 2.749 1.866 4.512 0.134 14 0 "[ . 1 . 2]" 1
274 2 15 LEU QD 2 24 PHE QE 7.120 . 9.620 3.007 1.911 4.788 0.089 20 0 "[ . 1 . 2]" 1
275 2 16 TYR H 2 16 TYR QB 1.320 . 3.820 2.420 2.102 2.925 . 0 0 "[ . 1 . 2]" 1
276 2 16 TYR H 2 17 LEU QD 4.810 . 7.310 5.005 3.857 5.491 . 0 0 "[ . 1 . 2]" 1
277 2 16 TYR HA 2 16 TYR QB 1.910 . 4.410 2.415 2.186 2.560 . 0 0 "[ . 1 . 2]" 1
278 2 16 TYR HA 2 24 PHE QE 4.630 . 7.130 4.045 2.191 6.664 . 0 0 "[ . 1 . 2]" 1
279 2 16 TYR QB 2 16 TYR QD 3.710 . 6.210 2.197 2.133 2.319 . 0 0 "[ . 1 . 2]" 1
280 2 16 TYR QB 2 17 LEU H 2.360 . 4.860 2.612 2.003 3.934 . 0 0 "[ . 1 . 2]" 1
281 2 16 TYR QB 2 24 PHE QE 5.510 . 8.010 4.283 2.088 6.585 . 0 0 "[ . 1 . 2]" 1
282 2 17 LEU H 2 17 LEU QB 1.320 . 3.820 2.270 2.094 2.660 . 0 0 "[ . 1 . 2]" 1
283 2 17 LEU HA 2 17 LEU QB 0.410 . 2.910 2.421 2.193 2.585 . 0 0 "[ . 1 . 2]" 1
284 2 17 LEU QB 2 17 LEU QD 3.890 . 6.390 1.941 1.876 2.099 0.124 10 0 "[ . 1 . 2]" 1
285 2 17 LEU QB 2 18 VAL QG 5.690 . 8.190 3.345 2.649 4.779 . 0 0 "[ . 1 . 2]" 1
286 2 17 LEU QD 2 18 VAL HA 4.810 . 7.310 3.973 2.569 5.227 . 0 0 "[ . 1 . 2]" 1
287 2 18 VAL HA 2 18 VAL QG . . 3.960 2.173 2.036 2.387 . 0 0 "[ . 1 . 2]" 1
288 2 18 VAL HB 2 19 CYS H 2.560 . 5.060 3.032 2.023 4.106 . 0 0 "[ . 1 . 2]" 1
289 2 18 VAL QG 2 20 GLY QA 5.610 . 8.110 5.073 3.842 5.467 . 0 0 "[ . 1 . 2]" 1
290 2 18 VAL QG 2 21 GLU QG 7.490 . 9.990 6.056 3.601 6.735 . 0 0 "[ . 1 . 2]" 1
291 2 19 CYS QB 2 22 ARG QD 2.500 . 5.000 3.417 1.814 4.059 0.186 11 0 "[ . 1 . 2]" 1
292 2 20 GLY H 2 20 GLY QA 0.700 . 3.200 2.311 2.222 2.487 . 0 0 "[ . 1 . 2]" 1
293 2 20 GLY QA 2 21 GLU QG 4.380 . 6.880 3.650 2.546 5.536 . 0 0 "[ . 1 . 2]" 1
294 2 20 GLY QA 2 22 ARG H 2.300 . 4.800 3.986 3.130 4.385 . 0 0 "[ . 1 . 2]" 1
295 2 21 GLU H 2 21 GLU QB 1.700 . 4.200 2.944 2.330 3.407 . 0 0 "[ . 1 . 2]" 1
296 2 21 GLU H 2 22 ARG H 0.200 . 2.700 2.445 1.848 2.859 0.159 16 0 "[ . 1 . 2]" 1
297 2 21 GLU HA 2 21 GLU QB 0.910 . 3.410 2.274 2.163 2.494 . 0 0 "[ . 1 . 2]" 1
298 2 21 GLU HA 2 21 GLU QG 2.350 . 4.850 3.037 2.034 3.747 . 0 0 "[ . 1 . 2]" 1
299 2 21 GLU QB 2 22 ARG QD 4.260 . 6.760 4.819 2.076 5.539 . 0 0 "[ . 1 . 2]" 1
300 2 22 ARG H 2 22 ARG HA 0.200 . 2.700 2.754 2.481 2.891 0.191 20 0 "[ . 1 . 2]" 1
301 2 22 ARG HA 2 22 ARG QB 0.410 . 2.910 2.335 2.138 2.544 . 0 0 "[ . 1 . 2]" 1
302 2 22 ARG HA 2 23 GLY H 0.700 . 3.200 2.676 1.630 3.345 0.370 15 0 "[ . 1 . 2]" 1
303 2 22 ARG QB 2 22 ARG NE 2.580 . 5.080 3.436 2.184 3.984 . 0 0 "[ . 1 . 2]" 1
304 2 22 ARG QB 2 23 GLY H 2.360 . 4.860 2.870 1.659 4.097 0.341 5 0 "[ . 1 . 2]" 1
305 2 22 ARG QB 2 24 PHE QD 5.510 . 8.010 5.620 2.849 6.562 . 0 0 "[ . 1 . 2]" 1
306 2 23 GLY H 2 23 GLY QA 1.870 . 4.370 2.383 2.187 2.568 . 0 0 "[ . 1 . 2]" 1
307 2 23 GLY QA 2 24 PHE H 2.020 . 4.520 2.490 2.041 2.898 . 0 0 "[ . 1 . 2]" 1
308 2 24 PHE HA 2 24 PHE QD 3.630 . 6.130 2.860 1.931 3.708 0.069 2 0 "[ . 1 . 2]" 1
309 2 24 PHE QB 2 24 PHE QD 3.710 . 6.210 2.187 2.093 2.324 . 0 0 "[ . 1 . 2]" 1
310 2 24 PHE QB 2 25 PHE H 2.560 . 5.060 3.501 2.177 4.148 . 0 0 "[ . 1 . 2]" 1
311 2 24 PHE QD 2 25 PHE H 4.630 . 7.130 4.228 2.978 5.064 . 0 0 "[ . 1 . 2]" 1
312 2 24 PHE QD 2 26 TYR H 4.810 . 7.310 4.659 3.058 5.925 . 0 0 "[ . 1 . 2]" 1
313 2 24 PHE QD 2 26 TYR QB 5.510 . 8.010 4.560 2.583 6.024 . 0 0 "[ . 1 . 2]" 1
314 2 25 PHE HA 2 25 PHE QD 3.630 . 6.130 2.574 1.998 3.753 0.002 17 0 "[ . 1 . 2]" 1
315 2 25 PHE QD 2 26 TYR QB 5.510 . 8.010 5.538 3.813 6.360 . 0 0 "[ . 1 . 2]" 1
316 2 26 TYR HA 2 26 TYR QE 3.630 . 6.130 4.660 4.169 5.689 . 0 0 "[ . 1 . 2]" 1
317 2 26 TYR QD 2 28 PRO QB 7.490 . 9.990 5.743 2.965 7.991 . 0 0 "[ . 1 . 2]" 1
318 2 27 THR H 2 29 LYS QB 3.380 . 5.880 4.741 2.729 5.237 . 0 0 "[ . 1 . 2]" 1
319 2 27 THR HA 2 27 THR HG1 2.380 . 4.880 2.595 2.136 3.047 . 0 0 "[ . 1 . 2]" 1
320 2 27 THR HA 2 28 PRO QD 2.380 . 4.880 3.001 1.951 3.990 0.049 7 0 "[ . 1 . 2]" 1
321 2 27 THR HG1 2 28 PRO QD 4.560 . 7.060 3.161 1.928 4.022 0.072 18 0 "[ . 1 . 2]" 1
322 2 27 THR HG1 2 29 LYS H 3.530 . 6.030 3.301 1.914 4.861 0.086 16 0 "[ . 1 . 2]" 1
323 2 27 THR HG1 2 29 LYS QE 4.410 . 6.910 4.148 2.915 4.759 . 0 0 "[ . 1 . 2]" 1
324 2 28 PRO HA 2 28 PRO QB 0.410 . 2.910 2.309 2.268 2.335 . 0 0 "[ . 1 . 2]" 1
325 2 28 PRO HA 2 28 PRO QD 2.550 . 5.050 3.239 3.080 3.459 . 0 0 "[ . 1 . 2]" 1
326 2 28 PRO HA 2 28 PRO QG 1.350 . 3.850 2.568 2.430 2.786 . 0 0 "[ . 1 . 2]" 1
327 2 28 PRO HA 2 29 LYS H 0.700 . 3.200 2.785 2.178 3.333 0.133 10 0 "[ . 1 . 2]" 1
328 2 28 PRO QD 2 29 LYS H 2.380 . 4.880 3.926 3.162 4.425 . 0 0 "[ . 1 . 2]" 1
329 2 29 LYS H 2 29 LYS QB 2.320 . 4.820 2.515 2.300 3.264 . 0 0 "[ . 1 . 2]" 1
330 2 29 LYS HA 2 29 LYS QB 0.410 . 2.910 2.409 2.168 2.601 . 0 0 "[ . 1 . 2]" 1
331 2 29 LYS HA 2 30 THR H 0.700 . 3.200 2.729 2.109 3.332 0.132 19 0 "[ . 1 . 2]" 1
332 2 29 LYS QB 2 30 THR H 2.360 . 4.860 3.350 2.230 4.104 . 0 0 "[ . 1 . 2]" 1
333 2 30 THR HA 2 30 THR HG1 2.380 . 4.880 2.575 1.982 3.005 0.018 20 0 "[ . 1 . 2]" 1
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