NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401974 |
1wco   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wco
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 4
_Distance_constraint_stats_list.Viol_count 39
_Distance_constraint_stats_list.Viol_total 149.851
_Distance_constraint_stats_list.Viol_max 0.598
_Distance_constraint_stats_list.Viol_rms 0.1664
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0937
_Distance_constraint_stats_list.Viol_average_violations_only 0.1921
_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
2 1 ILE 0.042 0.042 2 0 "[ . 1 . 2]"
2 6 LEU 0.042 0.042 2 0 "[ . 1 . 2]"
2 9 PRO 7.450 0.598 16 4 "[- . 1 * .+ * 2]"
5 1 FPP 7.493 0.598 16 4 "[- . 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 2 1 ILE MD 5 1 FPP H2 4.000 . 4.000 3.272 2.357 4.042 0.042 2 0 "[ . 1 . 2]" 1
2 2 9 PRO HB2 5 1 FPP H2 6.000 3.000 6.000 4.157 3.116 4.790 . 0 0 "[ . 1 . 2]" 1
3 2 9 PRO HD2 5 1 FPP H11 6.000 3.000 6.000 6.325 6.003 6.598 0.598 16 4 "[- . 1 * .+ * 2]" 1
4 2 9 PRO QG 5 1 FPP H2 6.000 3.000 6.000 2.968 2.901 3.276 0.099 16 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 309
_Distance_constraint_stats_list.Viol_count 345
_Distance_constraint_stats_list.Viol_total 747.226
_Distance_constraint_stats_list.Viol_max 0.838
_Distance_constraint_stats_list.Viol_rms 0.0339
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.1083
_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
2 1 ILE 0.166 0.065 17 0 "[ . 1 . 2]"
2 2 DBU 0.009 0.008 14 0 "[ . 1 . 2]"
2 3 DAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 ILE 1.445 0.142 9 0 "[ . 1 . 2]"
2 6 LEU 1.664 0.257 17 0 "[ . 1 . 2]"
2 7 CYS 0.009 0.009 14 0 "[ . 1 . 2]"
2 9 PRO 7.029 0.342 11 0 "[ . 1 . 2]"
2 10 GLY 7.263 0.342 11 0 "[ . 1 . 2]"
2 11 CYS 6.273 0.383 2 0 "[ . 1 . 2]"
2 12 LYS 11.938 0.838 15 1 "[ . 1 + 2]"
2 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 ALA 3.243 0.245 15 0 "[ . 1 . 2]"
2 16 LEU 4.489 0.259 9 0 "[ . 1 . 2]"
2 17 MET 5.663 0.690 16 2 "[ . - 1 .+ 2]"
2 18 GLY 0.070 0.027 19 0 "[ . 1 . 2]"
2 19 CYS 0.224 0.097 16 0 "[ . 1 . 2]"
2 20 ASN 2.439 0.690 16 2 "[ . - 1 .+ 2]"
2 21 MET 1.252 0.227 2 0 "[ . 1 . 2]"
2 22 LYS 1.525 0.227 2 0 "[ . 1 . 2]"
2 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 CYS 1.982 0.179 15 0 "[ . 1 . 2]"
2 27 ASN 2.522 0.216 2 0 "[ . 1 . 2]"
2 28 CYS 5.031 0.216 2 0 "[ . 1 . 2]"
2 29 SER 0.083 0.046 8 0 "[ . 1 . 2]"
2 30 ILE 1.564 0.107 5 0 "[ . 1 . 2]"
2 31 HIS 1.710 0.217 3 0 "[ . 1 . 2]"
2 32 VAL 1.756 0.217 3 0 "[ . 1 . 2]"
2 34 LYS 0.023 0.022 1 0 "[ . 1 . 2]"
5 1 FPP 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 2 6 LEU H 2 6 LEU HA 2.500 . 3.300 2.906 2.881 2.936 . 0 0 "[ . 1 . 2]" 2
2 2 6 LEU H 2 6 LEU HB2 4.100 . 6.000 2.863 2.362 3.598 . 0 0 "[ . 1 . 2]" 2
3 2 6 LEU H 2 6 LEU HG 3.300 . 4.700 2.650 1.829 3.296 0.071 17 0 "[ . 1 . 2]" 2
4 2 6 LEU H 2 6 LEU QD 3.000 . 6.000 1.927 1.605 3.179 . 0 0 "[ . 1 . 2]" 2
5 2 10 GLY H 2 10 GLY HA3 2.900 . 6.000 2.841 2.792 2.892 . 0 0 "[ . 1 . 2]" 2
6 2 9 PRO HB3 2 10 GLY H 3.800 . 5.600 3.957 3.815 4.145 . 0 0 "[ . 1 . 2]" 2
7 2 9 PRO HD3 2 10 GLY H 4.500 . 6.000 3.991 3.896 4.129 . 0 0 "[ . 1 . 2]" 2
8 2 9 PRO HB2 2 10 GLY H 3.700 . 5.400 2.797 2.489 3.164 . 0 0 "[ . 1 . 2]" 2
9 2 14 GLY QA 2 15 ALA H 2.700 . 3.600 2.116 2.030 2.163 . 0 0 "[ . 1 . 2]" 2
10 2 12 LYS HA 2 15 ALA H 3.500 . 6.000 6.147 6.060 6.245 0.245 15 0 "[ . 1 . 2]" 2
11 2 12 LYS H 2 12 LYS HA 2.700 . 3.600 2.944 2.904 2.956 . 0 0 "[ . 1 . 2]" 2
12 2 11 CYS HA 2 12 LYS H 2.300 . 6.000 3.408 3.348 3.475 . 0 0 "[ . 1 . 2]" 2
13 2 11 CYS QB 2 12 LYS H 3.000 . 4.100 2.794 2.591 3.009 . 0 0 "[ . 1 . 2]" 2
14 2 12 LYS H 2 12 LYS HB3 3.000 . 6.000 3.666 3.357 3.800 . 0 0 "[ . 1 . 2]" 2
15 2 12 LYS H 2 12 LYS HB2 2.900 . 6.000 3.208 2.932 3.846 . 0 0 "[ . 1 . 2]" 2
16 2 12 LYS H 2 12 LYS HD3 3.200 . 4.500 3.872 2.771 4.260 . 0 0 "[ . 1 . 2]" 2
17 2 12 LYS H 2 12 LYS HD2 2.900 . 3.900 3.390 2.837 3.866 . 0 0 "[ . 1 . 2]" 2
18 2 6 LEU HA 2 7 CYS H 2.500 . 3.300 2.372 2.307 2.596 . 0 0 "[ . 1 . 2]" 2
19 2 7 CYS H 2 7 CYS HB3 2.800 . 3.800 3.505 3.188 3.585 . 0 0 "[ . 1 . 2]" 2
20 2 7 CYS H 2 7 CYS HB2 3.600 . 5.200 2.540 1.991 2.722 0.009 14 0 "[ . 1 . 2]" 2
21 2 6 LEU QD 2 7 CYS H 3.300 . 6.000 4.377 3.775 4.524 . 0 0 "[ . 1 . 2]" 2
22 2 16 LEU H 2 16 LEU HA 2.800 . 3.800 2.890 2.799 2.941 . 0 0 "[ . 1 . 2]" 2
23 2 16 LEU H 2 16 LEU HB2 2.400 . 3.100 2.852 2.628 3.076 . 0 0 "[ . 1 . 2]" 2
24 2 16 LEU H 2 16 LEU HG 2.400 . 3.100 1.822 1.648 2.204 0.052 15 0 "[ . 1 . 2]" 2
25 2 19 CYS HA 2 20 ASN H 2.400 . 6.000 2.562 2.121 3.553 . 0 0 "[ . 1 . 2]" 2
26 2 20 ASN H 2 20 ASN HB3 3.200 . 4.500 3.413 2.603 4.138 . 0 0 "[ . 1 . 2]" 2
27 2 20 ASN H 2 20 ASN HB2 3.100 . 4.300 2.666 2.074 3.541 . 0 0 "[ . 1 . 2]" 2
28 2 4 ILE H 2 4 ILE MG 3.000 . 6.000 3.824 3.750 3.906 . 0 0 "[ . 1 . 2]" 2
29 2 4 ILE H 2 4 ILE HA 2.700 . 3.600 2.941 2.926 2.948 . 0 0 "[ . 1 . 2]" 2
30 2 4 ILE H 2 4 ILE HB 2.500 . 3.300 2.586 2.465 2.770 . 0 0 "[ . 1 . 2]" 2
31 2 4 ILE H 2 4 ILE HG13 2.500 . 3.300 2.993 2.359 3.313 0.013 9 0 "[ . 1 . 2]" 2
32 2 4 ILE H 2 4 ILE HG12 3.200 . 4.500 4.185 3.789 4.507 0.007 7 0 "[ . 1 . 2]" 2
33 2 4 ILE H 2 4 ILE MD 3.500 . 5.000 2.721 2.075 3.473 . 0 0 "[ . 1 . 2]" 2
34 2 28 CYS HA 2 29 SER H 2.400 . 3.100 2.357 2.147 3.146 0.046 8 0 "[ . 1 . 2]" 2
35 2 29 SER H 2 29 SER QB 3.000 . 4.100 2.662 2.224 2.933 . 0 0 "[ . 1 . 2]" 2
36 2 28 CYS QB 2 29 SER H 3.600 . 6.000 2.963 1.869 3.908 . 0 0 "[ . 1 . 2]" 2
37 2 29 SER H 2 29 SER HA 2.700 . 3.600 2.869 2.814 2.945 . 0 0 "[ . 1 . 2]" 2
38 2 21 MET HG3 2 22 LYS H 3.500 . 5.000 4.761 4.237 5.063 0.063 20 0 "[ . 1 . 2]" 2
39 2 22 LYS H 2 22 LYS QG 2.600 . 3.500 2.127 1.746 3.435 . 0 0 "[ . 1 . 2]" 2
40 2 14 GLY H 2 15 ALA HA 4.500 . 6.000 5.134 4.992 5.624 . 0 0 "[ . 1 . 2]" 2
41 2 14 GLY H 2 14 GLY QA 2.400 . 3.000 2.451 2.291 2.492 . 0 0 "[ . 1 . 2]" 2
42 2 12 LYS HA 2 14 GLY H 2.900 . 4.000 3.461 3.029 3.804 . 0 0 "[ . 1 . 2]" 2
43 2 21 MET HG2 2 22 LYS H 3.400 . 6.000 5.126 4.830 5.282 . 0 0 "[ . 1 . 2]" 2
44 2 22 LYS H 2 22 LYS QB 2.400 . 3.100 2.668 2.074 2.937 . 0 0 "[ . 1 . 2]" 2
45 2 22 LYS H 2 22 LYS QD 4.000 . 6.000 3.943 3.561 4.944 . 0 0 "[ . 1 . 2]" 2
46 2 31 HIS H 2 31 HIS HA 2.900 . 3.900 2.926 2.868 2.954 . 0 0 "[ . 1 . 2]" 2
47 2 30 ILE HA 2 31 HIS H 2.200 . 2.800 2.306 2.115 2.866 0.066 6 0 "[ . 1 . 2]" 2
48 2 31 HIS H 2 31 HIS HB3 3.200 . 4.500 3.613 3.441 3.886 . 0 0 "[ . 1 . 2]" 2
49 2 31 HIS H 2 31 HIS HB2 2.800 . 3.800 2.524 2.305 2.878 . 0 0 "[ . 1 . 2]" 2
50 2 30 ILE HB 2 31 HIS H 3.300 . 4.700 4.076 2.638 4.406 . 0 0 "[ . 1 . 2]" 2
51 2 30 ILE MG 2 31 HIS H 3.200 . 4.500 3.283 2.206 4.390 . 0 0 "[ . 1 . 2]" 2
52 2 22 LYS HA 2 24 ALA H 2.900 . 6.000 3.659 3.201 4.546 . 0 0 "[ . 1 . 2]" 2
53 2 24 ALA H 2 24 ALA MB 2.300 . 6.000 2.328 2.237 2.555 . 0 0 "[ . 1 . 2]" 2
54 2 20 ASN HA 2 21 MET H 2.700 . 3.600 3.507 3.367 3.585 . 0 0 "[ . 1 . 2]" 2
55 2 31 HIS HA 2 32 VAL H 2.500 . 3.300 2.577 2.105 3.517 0.217 3 0 "[ . 1 . 2]" 2
56 2 31 HIS HB3 2 32 VAL H 3.500 . 5.000 3.152 2.422 3.834 . 0 0 "[ . 1 . 2]" 2
57 2 31 HIS HB2 2 32 VAL H 3.800 . 5.600 3.763 2.053 4.553 . 0 0 "[ . 1 . 2]" 2
58 2 32 VAL H 2 32 VAL QG 2.600 . 3.400 2.072 1.779 2.628 0.021 13 0 "[ . 1 . 2]" 2
59 2 21 MET H 2 21 MET HA 2.700 . 3.600 2.269 2.258 2.293 . 0 0 "[ . 1 . 2]" 2
60 2 20 ASN HB3 2 21 MET H 3.400 . 4.900 2.498 1.923 3.357 . 0 0 "[ . 1 . 2]" 2
61 2 21 MET H 2 21 MET HB2 3.800 . 5.600 3.523 3.365 3.653 . 0 0 "[ . 1 . 2]" 2
62 2 21 MET H 2 21 MET HG3 3.100 . 4.300 3.116 2.921 3.401 . 0 0 "[ . 1 . 2]" 2
63 2 21 MET H 2 21 MET HG2 3.100 . 4.300 3.736 3.359 3.955 . 0 0 "[ . 1 . 2]" 2
64 2 27 ASN H 2 27 ASN HA 2.400 . 3.100 2.934 2.908 2.947 . 0 0 "[ . 1 . 2]" 2
65 2 26 CYS HA 2 27 ASN H 2.700 . 3.600 3.431 3.333 3.488 . 0 0 "[ . 1 . 2]" 2
66 2 26 CYS HB2 2 27 ASN H 3.800 . 5.600 2.991 2.782 3.370 . 0 0 "[ . 1 . 2]" 2
67 2 27 ASN H 2 27 ASN HB3 2.800 . 3.800 3.026 2.859 3.227 . 0 0 "[ . 1 . 2]" 2
68 2 27 ASN H 2 27 ASN HB2 3.000 . 4.100 3.703 3.582 3.774 . 0 0 "[ . 1 . 2]" 2
69 2 29 SER HA 2 30 ILE H 2.500 . 3.300 2.545 2.148 3.311 0.011 3 0 "[ . 1 . 2]" 2
70 2 30 ILE H 2 30 ILE HA 2.800 . 3.800 2.884 2.716 2.948 . 0 0 "[ . 1 . 2]" 2
71 2 29 SER QB 2 30 ILE H 3.700 . 5.400 3.682 3.257 3.957 . 0 0 "[ . 1 . 2]" 2
72 2 30 ILE H 2 30 ILE HB 2.900 . 3.900 2.856 2.572 3.610 . 0 0 "[ . 1 . 2]" 2
73 2 30 ILE H 2 30 ILE QG 3.400 . 4.800 2.037 1.896 2.693 0.104 12 0 "[ . 1 . 2]" 2
74 2 30 ILE H 2 30 ILE MD 3.200 . 4.500 3.546 3.294 3.912 . 0 0 "[ . 1 . 2]" 2
75 2 30 ILE H 2 30 ILE MG 3.300 . 4.700 3.562 2.311 3.922 . 0 0 "[ . 1 . 2]" 2
76 2 26 CYS H 2 26 CYS HA 2.800 . 3.800 2.847 2.814 2.886 . 0 0 "[ . 1 . 2]" 2
77 2 26 CYS H 2 26 CYS HB2 2.900 . 3.900 2.781 2.427 3.444 . 0 0 "[ . 1 . 2]" 2
78 2 17 MET HA 2 18 GLY H 3.200 . 4.500 3.483 3.346 3.534 . 0 0 "[ . 1 . 2]" 2
79 2 20 ASN HB3 2 20 ASN HD21 2.800 . 3.800 3.047 2.141 3.577 . 0 0 "[ . 1 . 2]" 2
80 2 20 ASN HB2 2 20 ASN HD21 2.700 . 3.600 2.496 2.118 3.545 . 0 0 "[ . 1 . 2]" 2
81 2 27 ASN HA 2 28 CYS H 2.600 . 3.500 2.945 2.773 3.035 . 0 0 "[ . 1 . 2]" 2
82 2 28 CYS H 2 28 CYS HA 2.800 . 3.800 2.876 2.828 2.916 . 0 0 "[ . 1 . 2]" 2
83 2 28 CYS H 2 28 CYS HB3 3.200 . 4.400 3.448 3.383 3.518 . 0 0 "[ . 1 . 2]" 2
84 2 17 MET H 2 19 CYS HA 4.100 . 6.000 5.637 5.169 6.097 0.097 16 0 "[ . 1 . 2]" 2
85 2 27 ASN HB3 2 27 ASN HD21 2.700 . 3.600 2.820 2.203 3.363 . 0 0 "[ . 1 . 2]" 2
86 2 27 ASN HB2 2 27 ASN HD21 2.800 . 3.800 2.353 2.147 2.956 . 0 0 "[ . 1 . 2]" 2
87 2 17 MET H 2 17 MET HA 3.000 . 4.100 2.868 2.773 2.929 . 0 0 "[ . 1 . 2]" 2
88 2 16 LEU HA 2 17 MET H 3.800 . 5.600 3.317 3.119 3.501 . 0 0 "[ . 1 . 2]" 2
89 2 16 LEU HB2 2 17 MET H 3.700 . 5.400 3.343 2.258 3.838 . 0 0 "[ . 1 . 2]" 2
90 2 10 GLY QA 2 11 CYS H 3.200 . 6.000 2.858 2.792 2.889 . 0 0 "[ . 1 . 2]" 2
91 2 11 CYS H 2 11 CYS HA 2.600 . 3.500 2.797 2.765 2.843 . 0 0 "[ . 1 . 2]" 2
92 2 11 CYS H 2 11 CYS QB 2.700 . 3.600 2.530 2.468 2.653 . 0 0 "[ . 1 . 2]" 2
93 2 20 ASN HB3 2 20 ASN HD22 3.800 . 5.600 3.855 3.444 4.106 . 0 0 "[ . 1 . 2]" 2
94 2 20 ASN HD22 2 22 LYS QG 4.000 . 6.000 4.143 2.331 5.802 . 0 0 "[ . 1 . 2]" 2
95 2 31 HIS HA 2 31 HIS HD2 3.700 . 5.400 3.284 2.187 4.691 . 0 0 "[ . 1 . 2]" 2
96 2 31 HIS HB3 2 31 HIS HD2 4.000 . 6.000 3.921 3.542 3.980 . 0 0 "[ . 1 . 2]" 2
97 2 27 ASN HB3 2 27 ASN HD22 3.600 . 5.300 3.747 3.478 4.004 . 0 0 "[ . 1 . 2]" 2
98 2 27 ASN HB2 2 27 ASN HD22 3.900 . 5.800 3.542 3.456 3.803 . 0 0 "[ . 1 . 2]" 2
99 2 31 HIS HB2 2 31 HIS HD2 3.500 . 5.000 3.108 2.684 3.826 . 0 0 "[ . 1 . 2]" 2
100 2 6 LEU H 2 7 CYS H 3.200 . 4.400 3.653 2.973 3.824 . 0 0 "[ . 1 . 2]" 2
101 2 10 GLY H 2 11 CYS H 2.600 . 3.400 2.516 2.334 2.614 . 0 0 "[ . 1 . 2]" 2
102 2 20 ASN H 2 21 MET H 2.900 . 4.000 2.792 1.726 4.071 0.074 19 0 "[ . 1 . 2]" 2
103 2 16 LEU H 2 17 MET H 2.900 . 4.000 2.259 1.811 2.558 . 0 0 "[ . 1 . 2]" 2
104 2 29 SER H 2 30 ILE H 3.200 . 4.500 3.606 2.395 4.392 . 0 0 "[ . 1 . 2]" 2
105 2 28 CYS H 2 29 SER H 3.400 . 4.800 4.353 2.476 4.620 . 0 0 "[ . 1 . 2]" 2
106 2 30 ILE H 2 31 HIS H 3.300 . 4.600 4.109 2.915 4.607 0.007 8 0 "[ . 1 . 2]" 2
107 2 26 CYS H 2 27 ASN H 2.600 . 3.400 2.399 2.209 2.532 . 0 0 "[ . 1 . 2]" 2
108 2 27 ASN H 2 28 CYS H 2.600 . 3.400 2.404 2.227 2.527 . 0 0 "[ . 1 . 2]" 2
109 2 17 MET H 2 18 GLY H 2.500 . 3.300 1.907 1.673 2.327 0.027 19 0 "[ . 1 . 2]" 2
110 2 7 CYS HA 2 7 CYS HB3 2.800 . 3.800 2.473 2.363 2.870 . 0 0 "[ . 1 . 2]" 2
111 2 7 CYS HA 2 7 CYS HB2 2.900 . 3.900 2.978 2.804 3.013 . 0 0 "[ . 1 . 2]" 2
112 2 7 CYS HA 2 9 PRO HD3 3.800 . 5.600 5.203 4.704 5.421 . 0 0 "[ . 1 . 2]" 2
113 2 7 CYS HA 2 9 PRO HD2 3.400 . 6.000 3.622 3.242 3.890 . 0 0 "[ . 1 . 2]" 2
114 2 24 ALA HA 2 24 ALA MB 1.900 . 6.000 2.128 2.121 2.136 . 0 0 "[ . 1 . 2]" 2
115 2 31 HIS HA 2 32 VAL QG 4.200 . 6.000 3.632 3.188 4.889 . 0 0 "[ . 1 . 2]" 2
116 2 15 ALA HA 2 16 LEU HG 3.400 . 4.900 4.625 3.940 5.016 0.116 13 0 "[ . 1 . 2]" 2
117 2 9 PRO HA 2 9 PRO HG2 3.200 . 4.500 3.947 3.896 4.021 . 0 0 "[ . 1 . 2]" 2
118 2 9 PRO HA 2 9 PRO HB3 2.700 . 3.600 2.264 2.248 2.271 . 0 0 "[ . 1 . 2]" 2
119 2 17 MET HA 2 17 MET QG 2.500 . 6.000 2.314 2.091 2.680 . 0 0 "[ . 1 . 2]" 2
120 2 21 MET HA 2 21 MET HG3 2.600 . 3.400 2.985 2.808 3.216 . 0 0 "[ . 1 . 2]" 2
121 2 21 MET HA 2 21 MET HG2 2.600 . 3.400 2.471 2.273 2.695 . 0 0 "[ . 1 . 2]" 2
122 2 1 ILE HA 2 1 ILE HG13 3.200 . 4.400 3.669 2.685 4.073 . 0 0 "[ . 1 . 2]" 2
123 2 16 LEU HG 2 17 MET HA 2.500 . 6.000 6.196 6.163 6.259 0.259 9 0 "[ . 1 . 2]" 2
124 2 1 ILE HA 2 1 ILE HG12 3.000 . 4.100 3.302 2.892 3.759 . 0 0 "[ . 1 . 2]" 2
125 2 1 ILE HA 2 1 ILE MG 2.500 . 3.300 2.150 2.022 2.231 . 0 0 "[ . 1 . 2]" 2
126 2 9 PRO HB3 2 10 GLY HA2 2.600 . 6.000 5.817 5.689 5.966 . 0 0 "[ . 1 . 2]" 2
127 2 14 GLY QA 2 16 LEU HB2 3.300 . 6.000 4.762 4.378 4.930 . 0 0 "[ . 1 . 2]" 2
128 2 22 LYS HA 2 22 LYS HD3 3.100 . 6.000 4.910 4.120 5.533 . 0 0 "[ . 1 . 2]" 2
129 2 32 VAL HA 2 32 VAL QG 2.600 . 3.400 2.186 2.126 2.347 . 0 0 "[ . 1 . 2]" 2
130 2 32 VAL HA 2 32 VAL HB 2.900 . 4.000 2.772 2.402 3.028 . 0 0 "[ . 1 . 2]" 2
131 2 22 LYS HA 2 22 LYS HB3 2.500 . 6.000 2.428 2.278 2.793 . 0 0 "[ . 1 . 2]" 2
132 2 22 LYS HA 2 22 LYS HB2 2.300 . 6.000 2.597 2.473 2.932 . 0 0 "[ . 1 . 2]" 2
133 2 30 ILE HA 2 30 ILE MG 2.600 . 3.400 2.291 2.177 2.348 . 0 0 "[ . 1 . 2]" 2
134 2 30 ILE HA 2 30 ILE HB 2.600 . 3.400 2.925 2.480 3.025 . 0 0 "[ . 1 . 2]" 2
135 2 30 ILE HA 2 30 ILE MD 3.800 . 5.600 3.939 3.816 4.187 . 0 0 "[ . 1 . 2]" 2
136 2 12 LYS HA 2 12 LYS HB3 2.700 . 6.000 2.270 2.238 2.362 . 0 0 "[ . 1 . 2]" 2
137 2 12 LYS HA 2 12 LYS HD3 3.300 . 4.700 4.421 3.847 4.903 0.203 4 0 "[ . 1 . 2]" 2
138 2 12 LYS HA 2 12 LYS HB2 2.600 . 6.000 2.844 2.517 2.957 . 0 0 "[ . 1 . 2]" 2
139 2 34 LYS HA 2 34 LYS QG 3.000 . 4.100 2.707 2.269 3.434 . 0 0 "[ . 1 . 2]" 2
140 2 16 LEU HA 2 16 LEU HB3 2.400 . 3.100 2.305 2.276 2.397 . 0 0 "[ . 1 . 2]" 2
141 2 16 LEU HA 2 16 LEU HB2 2.400 . 3.100 2.972 2.940 3.018 . 0 0 "[ . 1 . 2]" 2
142 2 16 LEU HA 2 16 LEU QD 2.200 . 6.000 2.475 2.222 2.810 . 0 0 "[ . 1 . 2]" 2
143 2 34 LYS HA 2 34 LYS HB3 2.900 . 3.900 2.874 2.314 3.033 . 0 0 "[ . 1 . 2]" 2
144 2 4 ILE HA 2 4 ILE HB 2.500 . 3.300 3.028 3.021 3.034 . 0 0 "[ . 1 . 2]" 2
145 2 4 ILE HA 2 4 ILE HG13 3.000 . 4.100 2.488 2.278 2.946 . 0 0 "[ . 1 . 2]" 2
146 2 4 ILE HA 2 4 ILE HG12 2.800 . 3.800 3.210 2.796 3.491 . 0 0 "[ . 1 . 2]" 2
147 2 4 ILE HA 2 4 ILE MG 2.400 . 3.100 2.403 2.311 2.521 . 0 0 "[ . 1 . 2]" 2
148 2 4 ILE HA 2 4 ILE MD 3.300 . 4.700 3.687 3.410 3.953 . 0 0 "[ . 1 . 2]" 2
149 2 14 GLY QA 2 16 LEU HG 2.700 . 6.000 3.263 3.048 3.957 . 0 0 "[ . 1 . 2]" 2
150 2 14 GLY QA 2 16 LEU MD1 3.500 . 6.000 3.725 3.067 4.061 . 0 0 "[ . 1 . 2]" 2
151 2 9 PRO HD3 2 9 PRO HG3 2.600 . 3.400 2.279 2.239 2.306 . 0 0 "[ . 1 . 2]" 2
152 2 6 LEU HA 2 6 LEU HB3 2.900 . 4.000 2.348 2.226 2.521 . 0 0 "[ . 1 . 2]" 2
153 2 6 LEU HA 2 6 LEU HB2 2.600 . 3.400 2.926 2.618 3.024 . 0 0 "[ . 1 . 2]" 2
154 2 6 LEU HA 2 6 LEU HG 2.500 . 3.300 2.903 2.532 3.557 0.257 17 0 "[ . 1 . 2]" 2
155 2 6 LEU HA 2 6 LEU QD 2.400 . 6.000 3.131 2.294 3.373 . 0 0 "[ . 1 . 2]" 2
156 2 31 HIS HA 2 31 HIS HB3 2.600 . 3.500 2.643 2.391 2.798 . 0 0 "[ . 1 . 2]" 2
157 2 31 HIS HA 2 31 HIS HB2 2.900 . 4.000 2.974 2.895 3.023 . 0 0 "[ . 1 . 2]" 2
158 2 27 ASN HA 2 27 ASN HB3 2.600 . 3.400 2.448 2.349 2.518 . 0 0 "[ . 1 . 2]" 2
159 2 27 ASN HA 2 27 ASN HB2 2.400 . 3.100 2.487 2.425 2.605 . 0 0 "[ . 1 . 2]" 2
160 2 20 ASN HA 2 20 ASN HB3 2.500 . 3.300 2.841 2.528 3.030 . 0 0 "[ . 1 . 2]" 2
161 2 20 ASN HA 2 20 ASN HB2 2.500 . 3.300 2.794 2.473 3.019 . 0 0 "[ . 1 . 2]" 2
162 2 20 ASN HB3 2 21 MET HA 3.200 . 6.000 4.333 3.870 5.026 . 0 0 "[ . 1 . 2]" 2
163 2 21 MET HA 2 21 MET HB3 2.900 . 4.000 2.541 2.462 2.624 . 0 0 "[ . 1 . 2]" 2
164 2 21 MET HA 2 21 MET HB2 2.800 . 3.800 3.012 2.986 3.029 . 0 0 "[ . 1 . 2]" 2
165 2 19 CYS HA 2 19 CYS HB2 2.700 . 3.600 3.006 2.978 3.019 . 0 0 "[ . 1 . 2]" 2
166 2 19 CYS HA 2 19 CYS HB3 2.900 . 4.000 2.515 2.324 2.609 . 0 0 "[ . 1 . 2]" 2
167 2 3 DAL HA 2 7 CYS HB3 2.900 . 6.000 4.043 3.715 5.101 . 0 0 "[ . 1 . 2]" 2
168 2 28 CYS HA 2 28 CYS HB3 2.400 . 3.100 2.647 2.587 2.714 . 0 0 "[ . 1 . 2]" 2
169 2 29 SER HA 2 29 SER QB 2.500 . 3.300 2.272 2.160 2.474 . 0 0 "[ . 1 . 2]" 2
170 2 14 GLY QA 2 15 ALA HA 4.100 . 6.000 3.915 3.902 3.933 . 0 0 "[ . 1 . 2]" 2
171 2 11 CYS HA 2 11 CYS QB 2.300 . 2.900 2.299 2.223 2.348 . 0 0 "[ . 1 . 2]" 2
172 2 12 LYS HA 2 17 MET QB 4.100 . 6.000 3.480 2.380 4.294 . 0 0 "[ . 1 . 2]" 2
173 2 3 DAL HB1 2 7 CYS HB2 3.300 . 4.600 3.720 3.209 3.996 . 0 0 "[ . 1 . 2]" 2
174 2 20 ASN HB3 2 21 MET HG3 3.300 . 6.000 5.252 4.712 5.609 . 0 0 "[ . 1 . 2]" 2
175 2 20 ASN HB3 2 22 LYS HG3 2.600 . 3.400 3.217 1.904 3.482 0.082 7 0 "[ . 1 . 2]" 2
176 2 22 LYS QE 2 22 LYS QG 2.800 . 6.000 2.386 2.118 2.851 . 0 0 "[ . 1 . 2]" 2
177 2 34 LYS QE 2 34 LYS QG 2.800 . 3.800 2.368 2.086 2.864 . 0 0 "[ . 1 . 2]" 2
178 2 12 LYS QB 2 12 LYS QE 1.900 . 2.400 2.057 1.748 2.479 0.079 1 0 "[ . 1 . 2]" 2
179 2 21 MET HB2 2 21 MET HG3 2.400 . 3.100 2.431 2.321 2.547 . 0 0 "[ . 1 . 2]" 2
180 2 21 MET HB2 2 21 MET HG2 3.000 . 4.200 3.006 2.990 3.013 . 0 0 "[ . 1 . 2]" 2
181 2 6 LEU MD2 2 9 PRO HB2 2.700 . 6.000 4.952 4.527 5.757 . 0 0 "[ . 1 . 2]" 2
182 2 4 ILE HB 2 4 ILE MG 2.200 . 2.800 2.129 2.121 2.132 . 0 0 "[ . 1 . 2]" 2
183 2 4 ILE HB 2 4 ILE MD 2.600 . 3.500 2.234 2.208 2.313 . 0 0 "[ . 1 . 2]" 2
184 2 30 ILE HB 2 30 ILE MD 3.000 . 4.100 2.360 2.219 2.465 . 0 0 "[ . 1 . 2]" 2
185 2 4 ILE MD 2 4 ILE HG13 2.300 . 3.000 2.116 2.114 2.120 . 0 0 "[ . 1 . 2]" 2
186 2 4 ILE HG13 2 4 ILE MG 2.800 . 3.800 2.927 2.712 3.173 . 0 0 "[ . 1 . 2]" 2
187 2 16 LEU HB2 2 16 LEU MD2 2.100 . 6.000 3.178 3.114 3.196 . 0 0 "[ . 1 . 2]" 2
188 2 6 LEU HB3 2 6 LEU QD 2.100 . 2.600 2.139 2.057 2.224 . 0 0 "[ . 1 . 2]" 2
189 2 4 ILE HG12 2 4 ILE MG 2.400 . 3.100 2.156 2.127 2.247 . 0 0 "[ . 1 . 2]" 2
190 2 4 ILE MD 2 4 ILE HG12 2.400 . 3.100 2.117 2.114 2.119 . 0 0 "[ . 1 . 2]" 2
191 2 30 ILE HG13 2 30 ILE MG 2.500 . 6.000 3.157 2.795 3.205 . 0 0 "[ . 1 . 2]" 2
192 2 30 ILE MD 2 30 ILE HG13 3.600 . 5.300 2.120 2.118 2.124 . 0 0 "[ . 1 . 2]" 2
193 2 9 PRO HB2 2 9 PRO HG3 2.600 . 3.500 2.761 2.705 2.866 . 0 0 "[ . 1 . 2]" 2
194 2 9 PRO HB2 2 9 PRO HG2 2.400 . 3.100 2.259 2.230 2.285 . 0 0 "[ . 1 . 2]" 2
195 2 4 ILE HB 2 4 ILE HG13 2.200 . 2.800 2.825 2.603 2.942 0.142 9 0 "[ . 1 . 2]" 2
196 2 30 ILE MD 2 30 ILE QG 2.000 . 6.000 1.888 1.885 1.892 . 0 0 "[ . 1 . 2]" 2
197 2 30 ILE MD 2 30 ILE MG 2.100 . 6.000 1.904 1.817 2.039 . 0 0 "[ . 1 . 2]" 2
198 2 1 ILE MD 2 1 ILE QG 2.200 . 6.000 1.884 1.873 1.888 . 0 0 "[ . 1 . 2]" 2
199 2 1 ILE HB 2 1 ILE HG13 2.400 . 3.100 2.495 2.335 2.990 . 0 0 "[ . 1 . 2]" 2
200 2 1 ILE HB 2 1 ILE MD 2.000 . 6.000 2.852 2.239 3.238 . 0 0 "[ . 1 . 2]" 2
201 2 12 LYS HA 2 18 GLY H 4.300 . 6.000 5.551 4.702 6.023 0.023 19 0 "[ . 1 . 2]" 2
202 2 6 LEU MD2 2 10 GLY H 3.900 . 6.000 6.019 5.799 6.137 0.137 17 0 "[ . 1 . 2]" 2
203 2 31 HIS H 2 32 VAL QG 4.600 . 6.000 4.372 2.725 5.151 . 0 0 "[ . 1 . 2]" 2
204 2 30 ILE MD 2 31 HIS H 4.100 . 6.000 5.205 3.487 5.654 . 0 0 "[ . 1 . 2]" 2
205 2 6 LEU HB2 2 7 CYS H 4.000 . 6.000 4.328 4.177 4.457 . 0 0 "[ . 1 . 2]" 2
206 2 14 GLY H 2 17 MET QB 4.000 . 6.000 3.402 3.200 4.071 . 0 0 "[ . 1 . 2]" 2
207 2 17 MET QG 2 18 GLY H 3.900 . 6.000 4.370 3.875 4.675 . 0 0 "[ . 1 . 2]" 2
208 2 17 MET H 2 17 MET QB 3.500 . 5.000 2.738 2.199 2.988 . 0 0 "[ . 1 . 2]" 2
209 2 9 PRO HB2 2 10 GLY HA2 4.200 . 6.000 4.304 4.115 4.547 . 0 0 "[ . 1 . 2]" 2
210 2 22 LYS HA 2 22 LYS QE 4.200 . 6.000 4.863 4.191 5.530 . 0 0 "[ . 1 . 2]" 2
211 2 9 PRO HB3 2 9 PRO HD2 4.100 . 6.000 3.998 3.938 4.047 . 0 0 "[ . 1 . 2]" 2
212 2 9 PRO HD2 2 10 GLY H 4.000 . 6.000 2.982 2.670 3.257 . 0 0 "[ . 1 . 2]" 2
213 2 10 GLY H 2 10 GLY HA2 2.600 . 3.500 2.257 2.226 2.291 . 0 0 "[ . 1 . 2]" 2
214 2 28 CYS H 2 30 ILE HG13 3.600 . 5.200 4.719 3.270 5.278 0.078 12 0 "[ . 1 . 2]" 2
215 2 14 GLY QA 2 16 LEU H 3.500 . 5.000 3.149 3.037 3.379 . 0 0 "[ . 1 . 2]" 2
216 2 15 ALA H 2 16 LEU H 3.600 . 5.200 2.639 1.854 3.062 0.146 13 0 "[ . 1 . 2]" 2
217 2 9 PRO HA 2 10 GLY H 4.400 . 6.000 3.493 3.464 3.521 . 0 0 "[ . 1 . 2]" 2
218 2 30 ILE MG 2 31 HIS HD2 4.500 . 6.000 5.054 4.431 6.051 0.051 1 0 "[ . 1 . 2]" 2
219 2 21 MET HB2 2 22 LYS H 3.400 . 4.900 3.479 2.228 4.307 . 0 0 "[ . 1 . 2]" 2
220 2 20 ASN HD21 2 22 LYS QG 3.900 . 5.800 4.195 2.585 5.642 . 0 0 "[ . 1 . 2]" 2
221 2 14 GLY QA 2 17 MET QB 4.200 . 6.000 4.869 4.180 5.203 . 0 0 "[ . 1 . 2]" 2
222 2 30 ILE MG 2 31 HIS HA 3.900 . 5.800 4.249 3.543 5.545 . 0 0 "[ . 1 . 2]" 2
223 2 31 HIS HB3 2 32 VAL HB 4.000 . 6.000 5.523 4.360 6.091 0.091 8 0 "[ . 1 . 2]" 2
224 2 28 CYS HB2 2 30 ILE MG 4.800 . 6.000 5.649 5.060 6.107 0.107 5 0 "[ . 1 . 2]" 2
225 2 21 MET HB2 2 22 LYS QG 3.500 . 5.100 4.681 3.312 5.327 0.227 2 0 "[ . 1 . 2]" 2
226 2 9 PRO HB2 2 12 LYS QG 3.900 . 6.000 5.883 5.404 6.139 0.139 1 0 "[ . 1 . 2]" 2
227 2 12 LYS HA 2 12 LYS HD2 4.000 2.800 4.000 3.090 2.720 4.838 0.838 15 1 "[ . 1 + 2]" 2
228 2 1 ILE HA 2 1 ILE MD 3.600 . 5.200 3.137 2.496 4.058 . 0 0 "[ . 1 . 2]" 2
229 2 11 CYS HA 2 12 LYS HB2 4.300 . 6.000 6.205 6.126 6.383 0.383 2 0 "[ . 1 . 2]" 2
230 2 11 CYS HA 2 12 LYS HB3 3.800 . 6.000 5.934 5.002 6.245 0.245 19 0 "[ . 1 . 2]" 2
231 2 17 MET QB 2 20 ASN HA 4.600 . 6.000 4.820 4.364 6.690 0.690 16 2 "[ . - 1 .+ 2]" 2
232 2 9 PRO HB2 2 9 PRO HD2 3.900 . 5.800 3.895 3.547 4.014 . 0 0 "[ . 1 . 2]" 2
233 2 9 PRO HB3 2 9 PRO HD3 3.500 . 5.100 3.253 3.032 3.699 . 0 0 "[ . 1 . 2]" 2
234 2 26 CYS HA 2 27 ASN HA 3.500 . 5.000 4.576 4.521 4.632 . 0 0 "[ . 1 . 2]" 2
235 2 16 LEU HA 2 18 GLY H 4.000 . 6.000 5.104 4.195 5.778 . 0 0 "[ . 1 . 2]" 2
236 2 12 LYS H 2 12 LYS QG 2.600 . 3.500 2.020 1.757 2.260 . 0 0 "[ . 1 . 2]" 2
237 2 12 LYS HB2 2 14 GLY H 4.100 . 6.000 4.291 4.036 4.573 . 0 0 "[ . 1 . 2]" 2
238 2 6 LEU HG 2 7 CYS H 4.000 . 6.000 4.891 4.567 5.097 . 0 0 "[ . 1 . 2]" 2
239 2 30 ILE MG 2 32 VAL H 3.300 . 6.000 4.922 3.584 6.080 0.080 8 0 "[ . 1 . 2]" 2
240 2 16 LEU HB3 2 17 MET H 4.700 . 6.000 4.335 3.603 4.575 . 0 0 "[ . 1 . 2]" 2
241 2 24 ALA H 2 24 ALA HA 2.800 . 6.000 2.909 2.845 2.955 . 0 0 "[ . 1 . 2]" 2
242 2 3 DAL HA 2 4 ILE H 3.200 . 4.500 3.550 3.507 3.566 . 0 0 "[ . 1 . 2]" 2
243 2 19 CYS H 2 19 CYS HB2 3.400 . 4.800 3.509 3.418 3.767 . 0 0 "[ . 1 . 2]" 2
244 2 31 HIS H 2 31 HIS HD2 5.200 . 6.000 3.586 2.282 4.479 . 0 0 "[ . 1 . 2]" 2
245 2 11 CYS HA 2 12 LYS HG2 4.400 . 6.000 4.769 4.383 6.081 0.081 15 0 "[ . 1 . 2]" 2
246 2 22 LYS QB 2 22 LYS QE 3.000 . 4.100 2.756 1.872 3.624 0.028 5 0 "[ . 1 . 2]" 2
247 2 1 ILE HB 2 1 ILE MG 2.200 . 2.800 2.117 2.088 2.129 . 0 0 "[ . 1 . 2]" 2
248 2 21 MET HB3 2 21 MET HG2 2.600 . 3.400 2.454 2.349 2.581 . 0 0 "[ . 1 . 2]" 2
249 2 30 ILE HB 2 30 ILE MG 2.300 . 2.900 2.128 2.121 2.134 . 0 0 "[ . 1 . 2]" 2
250 2 34 LYS HB3 2 34 LYS QE 4.400 . 6.000 3.604 1.878 4.528 0.022 1 0 "[ . 1 . 2]" 2
251 2 6 LEU H 2 6 LEU HB3 3.700 . 5.400 3.551 3.057 3.714 . 0 0 "[ . 1 . 2]" 2
252 2 10 GLY H 2 11 CYS QB 6.000 . 6.000 4.709 4.494 4.908 . 0 0 "[ . 1 . 2]" 2
253 2 1 ILE HB 2 1 ILE HG12 2.800 . 3.800 2.698 2.486 3.034 . 0 0 "[ . 1 . 2]" 2
254 2 1 ILE QG 2 1 ILE MG 2.400 . 6.000 2.288 1.904 2.460 . 0 0 "[ . 1 . 2]" 2
255 2 30 ILE HB 2 30 ILE QG 2.600 . 6.000 2.420 2.346 2.536 . 0 0 "[ . 1 . 2]" 2
256 2 6 LEU HB2 2 6 LEU MD2 2.200 . 6.000 2.665 2.404 3.139 . 0 0 "[ . 1 . 2]" 2
257 2 6 LEU MD1 2 6 LEU HG 2.200 . 6.000 2.127 2.114 2.131 . 0 0 "[ . 1 . 2]" 2
258 2 9 PRO HG3 2 10 GLY HA2 6.000 . 6.000 6.081 5.888 6.258 0.258 5 0 "[ . 1 . 2]" 2
259 2 1 ILE HB 2 4 ILE MD 4.100 . 6.000 5.623 4.992 6.065 0.065 17 0 "[ . 1 . 2]" 2
260 2 31 HIS HD2 2 32 VAL H 6.000 . 6.000 5.307 4.639 6.030 0.030 6 0 "[ . 1 . 2]" 2
261 2 34 LYS HA 2 34 LYS HB2 2.900 . 4.000 2.576 2.419 3.024 . 0 0 "[ . 1 . 2]" 2
262 2 16 LEU HA 2 17 MET HA 4.000 . 6.000 4.491 4.439 4.589 . 0 0 "[ . 1 . 2]" 2
263 2 31 HIS HB3 2 32 VAL MG2 5.700 . 6.000 4.337 2.241 6.067 0.067 8 0 "[ . 1 . 2]" 2
264 2 30 ILE MG 2 31 HIS HB2 5.600 . 6.000 5.071 4.104 6.036 0.036 3 0 "[ . 1 . 2]" 2
265 2 1 ILE MD 2 1 ILE HG13 2.200 . 2.800 2.114 2.102 2.120 . 0 0 "[ . 1 . 2]" 2
266 2 9 PRO HA 2 11 CYS H 4.400 . 6.000 3.909 3.726 4.070 . 0 0 "[ . 1 . 2]" 2
267 2 20 ASN HA 2 20 ASN HD22 5.300 . 6.000 4.066 3.236 4.575 . 0 0 "[ . 1 . 2]" 2
268 2 27 ASN HA 2 27 ASN HD21 3.900 . 5.800 4.521 4.252 4.593 . 0 0 "[ . 1 . 2]" 2
269 2 20 ASN HA 2 20 ASN HD21 4.100 . 6.000 3.563 1.987 4.389 0.013 1 0 "[ . 1 . 2]" 2
270 2 14 GLY QA 2 18 GLY QA 3.100 . 4.300 4.137 3.823 4.209 . 0 0 "[ . 1 . 2]" 2
271 2 30 ILE HA 2 31 HIS HA 3.600 . 5.200 4.379 4.329 4.425 . 0 0 "[ . 1 . 2]" 2
272 2 27 ASN HA 2 28 CYS HA 3.600 . 5.200 4.656 4.575 4.755 . 0 0 "[ . 1 . 2]" 2
273 2 9 PRO HD3 2 10 GLY HA2 4.100 . 6.000 6.233 6.089 6.342 0.342 11 0 "[ . 1 . 2]" 2
274 2 19 CYS HA 2 20 ASN HB2 3.500 . 5.100 4.443 3.946 5.141 0.041 16 0 "[ . 1 . 2]" 2
275 2 28 CYS HA 2 28 CYS HB2 2.700 . 3.600 2.977 2.949 2.998 . 0 0 "[ . 1 . 2]" 2
276 2 3 DAL HA 2 7 CYS HB2 4.000 . 6.000 4.722 4.177 4.855 . 0 0 "[ . 1 . 2]" 2
277 2 6 LEU HA 2 6 LEU MD2 4.400 . 6.000 3.553 2.311 4.042 . 0 0 "[ . 1 . 2]" 2
278 2 11 CYS H 2 12 LYS H 4.100 . 6.000 2.504 2.422 2.681 . 0 0 "[ . 1 . 2]" 2
279 2 7 CYS HA 2 10 GLY H 5.400 . 6.000 4.760 4.473 5.046 . 0 0 "[ . 1 . 2]" 2
280 2 10 GLY H 2 11 CYS HA 4.400 . 6.000 5.013 4.820 5.162 . 0 0 "[ . 1 . 2]" 2
281 2 28 CYS HB3 2 29 SER H 3.200 . 4.500 3.082 1.878 4.303 0.022 5 0 "[ . 1 . 2]" 2
282 2 19 CYS HB3 2 20 ASN H 3.700 . 5.400 4.043 2.280 4.555 . 0 0 "[ . 1 . 2]" 2
283 2 26 CYS HA 2 28 CYS H 4.200 . 6.000 3.687 3.503 3.883 . 0 0 "[ . 1 . 2]" 2
284 2 26 CYS H 2 26 CYS HB3 3.100 . 4.300 3.487 2.957 3.625 . 0 0 "[ . 1 . 2]" 2
285 2 28 CYS HB3 2 30 ILE H 4.600 . 6.000 4.055 2.264 5.364 . 0 0 "[ . 1 . 2]" 2
286 2 26 CYS H 2 27 ASN HA 4.500 . 6.000 5.104 4.969 5.199 . 0 0 "[ . 1 . 2]" 2
287 2 6 LEU HB3 2 7 CYS H 4.300 . 6.000 4.308 4.180 4.607 . 0 0 "[ . 1 . 2]" 2
288 2 16 LEU H 2 16 LEU MD1 3.300 . 4.700 3.394 3.215 3.658 . 0 0 "[ . 1 . 2]" 2
289 2 27 ASN HA 2 28 CYS HB3 4.800 . 6.000 6.125 5.988 6.216 0.216 2 0 "[ . 1 . 2]" 2
290 2 6 LEU HA 2 7 CYS HA 4.100 . 6.000 4.572 4.512 4.735 . 0 0 "[ . 1 . 2]" 2
291 2 26 CYS HA 2 26 CYS HB3 2.600 . 3.500 2.370 2.282 2.487 . 0 0 "[ . 1 . 2]" 2
292 2 26 CYS H 2 28 CYS HB2 4.700 . 6.000 4.493 4.432 4.597 . 0 0 "[ . 1 . 2]" 2
293 2 1 ILE HB 2 4 ILE H 5.200 . 6.000 5.091 4.836 5.297 . 0 0 "[ . 1 . 2]" 2
294 2 32 VAL H 2 32 VAL HB 2.700 . 3.600 3.053 2.547 3.706 0.106 3 0 "[ . 1 . 2]" 2
295 2 27 ASN H 2 28 CYS HB3 4.500 . 6.000 5.475 5.260 5.697 . 0 0 "[ . 1 . 2]" 2
296 2 26 CYS HB3 2 27 ASN H 3.700 . 5.400 4.052 3.957 4.177 . 0 0 "[ . 1 . 2]" 2
297 2 27 ASN HB2 2 28 CYS H 4.200 . 6.000 4.412 4.310 4.460 . 0 0 "[ . 1 . 2]" 2
298 2 21 MET HB3 2 22 LYS H 5.500 . 6.000 4.032 3.073 4.403 . 0 0 "[ . 1 . 2]" 2
299 2 26 CYS H 2 28 CYS HB3 5.600 . 6.000 6.099 6.040 6.179 0.179 15 0 "[ . 1 . 2]" 2
300 2 14 GLY QA 2 16 LEU HB3 5.800 . 6.000 5.816 5.765 5.879 . 0 0 "[ . 1 . 2]" 2
301 2 19 CYS HA 2 21 MET HG3 4.000 . 6.000 4.783 3.627 6.055 0.055 14 0 "[ . 1 . 2]" 2
302 2 9 PRO HG3 2 10 GLY H 6.000 . 6.000 4.043 3.829 4.192 . 0 0 "[ . 1 . 2]" 2
303 2 22 LYS H 2 22 LYS HA 3.000 . 4.100 2.881 2.802 2.914 . 0 0 "[ . 1 . 2]" 2
304 2 16 LEU H 2 17 MET HA 4.200 . 6.000 4.897 4.466 5.183 . 0 0 "[ . 1 . 2]" 2
305 2 31 HIS HB2 2 32 VAL QG 4.900 . 6.000 4.585 2.829 5.518 . 0 0 "[ . 1 . 2]" 2
306 2 2 DBU HB1 2 4 ILE HG13 6.000 3.200 6.000 3.626 3.192 4.181 0.008 14 0 "[ . 1 . 2]" 2
307 2 30 ILE HG13 2 31 HIS HD2 6.000 3.200 6.000 5.527 3.164 6.068 0.068 2 0 "[ . 1 . 2]" 2
308 2 30 ILE HB 2 31 HIS HD2 6.000 3.200 6.000 4.988 3.560 5.826 . 0 0 "[ . 1 . 2]" 2
309 5 1 FPP H11 5 1 FPP H2 3.400 . 3.400 2.978 2.771 3.023 . 0 0 "[ . 1 . 2]" 2
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