NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385096 |
1kuz   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kuz
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 319
_Distance_constraint_stats_list.Viol_count 366
_Distance_constraint_stats_list.Viol_total 908.338
_Distance_constraint_stats_list.Viol_max 0.706
_Distance_constraint_stats_list.Viol_rms 0.0406
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.1241
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 TRP 15.055 0.356 14 0 "[ . 1 . 2]"
1 3 LYS 9.175 0.392 14 0 "[ . 1 . 2]"
1 4 VAL 3.063 0.607 11 3 "[ *- 1+ . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PHE 1.463 0.151 17 0 "[ . 1 . 2]"
1 7 PHE 3.989 0.302 17 0 "[ . 1 . 2]"
1 8 LYS 16.477 0.452 2 0 "[ . 1 . 2]"
1 9 ARG 3.208 0.452 2 0 "[ . 1 . 2]"
1 10 ASN 0.509 0.145 5 0 "[ . 1 . 2]"
1 11 ARG 5.055 0.607 11 3 "[ *- 1+ . 2]"
2 1 LYS 2.534 0.452 2 0 "[ . 1 . 2]"
2 2 LEU 3.445 0.238 18 0 "[ . 1 . 2]"
2 3 LEU 9.183 0.346 2 0 "[ . 1 . 2]"
2 4 ILE 14.053 0.372 6 0 "[ . 1 . 2]"
2 5 THR 0.057 0.021 11 0 "[ . 1 . 2]"
2 6 ILE 4.539 0.324 9 0 "[ . 1 . 2]"
2 7 HIS 4.471 0.324 9 0 "[ . 1 . 2]"
2 8 ASP 0.156 0.040 19 0 "[ . 1 . 2]"
2 9 ARG 2.122 0.475 19 0 "[ . 1 . 2]"
2 10 LYS 0.397 0.093 20 0 "[ . 1 . 2]"
2 11 GLU 0.915 0.115 15 0 "[ . 1 . 2]"
2 12 PHE 5.801 0.706 12 3 "[* - 1 + . 2]"
2 13 ALA 0.448 0.105 20 0 "[ . 1 . 2]"
2 14 LYS 8.611 0.706 12 3 "[* - 1 + . 2]"
2 15 PHE 10.414 0.706 12 5 "[* *- 1*+ . 2]"
2 16 GLU 1.666 0.274 14 0 "[ . 1 . 2]"
2 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 GLU 1.734 0.607 11 3 "[ *- 1+ . 2]"
2 19 ARG 5.078 0.392 14 0 "[ . 1 . 2]"
2 20 ALA 1.807 0.312 19 0 "[ . 1 . 2]"
2 21 ARG 0.174 0.058 15 0 "[ . 1 . 2]"
2 22 ALA 0.049 0.036 4 0 "[ . 1 . 2]"
2 23 LYS 2.099 0.312 19 0 "[ . 1 . 2]"
2 24 TRP 2.252 0.172 17 0 "[ . 1 . 2]"
2 25 ASP 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 1 MET HA 1 2 TRP HA 4.000 . 6.000 3.325 3.092 3.467 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 TRP HE3 4.600 . 6.000 4.154 4.024 4.224 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HB2 1 1 MET ME 2.800 . 3.800 2.264 2.104 2.318 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HB2 1 2 TRP HZ3 3.900 . 5.800 3.970 3.723 4.132 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HB2 1 2 TRP HZ3 4.400 . 6.000 3.647 3.302 3.860 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET ME 1 1 MET HG2 3.400 . 4.900 3.207 3.176 3.234 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET ME 1 1 MET HG2 3.300 . 4.700 2.449 2.371 2.494 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET ME 1 2 TRP HA 4.300 . 6.000 4.880 4.822 4.953 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET ME 2 3 LEU HG 3.500 . 5.000 4.430 4.112 4.656 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET HG2 1 2 TRP HH2 4.500 . 6.000 5.214 4.219 5.444 . 0 0 "[ . 1 . 2]" 1
11 1 1 MET HG2 1 8 LYS HD3 4.000 . 6.000 4.830 4.352 5.145 . 0 0 "[ . 1 . 2]" 1
12 1 1 MET HG2 1 8 LYS HD3 3.900 . 5.800 5.142 4.464 5.447 . 0 0 "[ . 1 . 2]" 1
13 1 1 MET HG2 1 8 LYS HD3 4.000 . 6.000 5.237 4.494 5.578 . 0 0 "[ . 1 . 2]" 1
14 1 2 TRP H 1 3 LYS HB2 4.500 . 6.000 4.007 3.923 4.114 . 0 0 "[ . 1 . 2]" 1
15 1 2 TRP H 1 5 GLY H 3.100 . 4.300 2.927 2.833 3.006 . 0 0 "[ . 1 . 2]" 1
16 1 2 TRP HA 1 2 TRP HD1 4.000 . 6.000 3.079 2.890 3.466 . 0 0 "[ . 1 . 2]" 1
17 1 2 TRP HB2 1 2 TRP HZ3 4.900 . 6.000 4.599 4.440 4.805 . 0 0 "[ . 1 . 2]" 1
18 1 2 TRP HB2 1 3 LYS H 2.300 . 2.900 1.604 1.552 1.662 0.148 18 0 "[ . 1 . 2]" 1
19 1 2 TRP HB2 1 3 LYS HB2 3.700 . 5.400 3.212 2.626 4.380 . 0 0 "[ . 1 . 2]" 1
20 1 2 TRP HB2 1 3 LYS HB2 4.700 . 6.000 4.519 4.418 4.602 . 0 0 "[ . 1 . 2]" 1
21 1 2 TRP HB2 1 4 VAL MG1 4.200 . 6.000 2.793 2.568 3.365 . 0 0 "[ . 1 . 2]" 1
22 1 2 TRP HB2 1 4 VAL MG1 4.400 . 6.000 3.757 3.358 4.155 . 0 0 "[ . 1 . 2]" 1
23 1 2 TRP HB2 1 4 VAL MG2 4.000 . 6.000 3.820 3.346 4.369 . 0 0 "[ . 1 . 2]" 1
24 1 2 TRP HB2 2 4 ILE HB 4.300 . 6.000 5.206 3.236 5.616 . 0 0 "[ . 1 . 2]" 1
25 1 2 TRP HB2 2 1 LYS QG 4.700 . 6.000 3.640 3.071 4.073 . 0 0 "[ . 1 . 2]" 1
26 1 2 TRP HB2 2 4 ILE MD 4.500 . 6.000 3.545 3.437 3.891 . 0 0 "[ . 1 . 2]" 1
27 1 2 TRP HB2 2 4 ILE QG 4.800 . 6.000 4.793 4.362 5.246 . 0 0 "[ . 1 . 2]" 1
28 1 2 TRP HD1 1 4 VAL HB 3.500 . 6.000 5.026 4.690 5.365 . 0 0 "[ . 1 . 2]" 1
29 1 2 TRP HE3 1 3 LYS HG2 3.600 . 5.300 2.699 2.345 3.540 . 0 0 "[ . 1 . 2]" 1
30 1 2 TRP HE3 1 8 LYS HB3 5.300 . 6.000 5.724 5.260 6.034 0.034 19 0 "[ . 1 . 2]" 1
31 1 2 TRP HE3 1 8 LYS HD3 4.900 . 6.000 6.158 6.075 6.346 0.346 2 0 "[ . 1 . 2]" 1
32 1 2 TRP HE3 1 8 LYS QG 4.600 . 6.000 3.628 3.194 4.158 . 0 0 "[ . 1 . 2]" 1
33 1 2 TRP HH2 2 2 LEU HA 4.300 . 6.000 4.267 3.747 4.563 . 0 0 "[ . 1 . 2]" 1
34 1 2 TRP HH2 2 3 LEU HA 3.900 . 5.800 5.169 4.873 5.401 . 0 0 "[ . 1 . 2]" 1
35 1 2 TRP HH2 2 4 ILE MD 3.400 . 4.900 1.867 1.689 2.205 0.211 2 0 "[ . 1 . 2]" 1
36 1 2 TRP HH2 2 3 LEU MD1 3.600 . 5.200 2.074 1.776 2.428 0.224 2 0 "[ . 1 . 2]" 1
37 1 2 TRP HH2 2 4 ILE MD 3.500 . 5.100 2.072 1.865 2.825 0.035 3 0 "[ . 1 . 2]" 1
38 1 2 TRP HH2 2 4 ILE QG 3.500 . 5.000 2.111 1.977 2.481 0.023 11 0 "[ . 1 . 2]" 1
39 1 2 TRP HH2 2 3 LEU HG 3.000 . 4.200 2.224 2.072 2.439 . 0 0 "[ . 1 . 2]" 1
40 1 2 TRP HH2 2 4 ILE QG 3.900 . 5.800 2.155 1.987 2.529 0.013 11 0 "[ . 1 . 2]" 1
41 1 2 TRP HZ2 1 8 LYS HB3 4.000 . 6.000 6.222 6.097 6.356 0.356 14 0 "[ . 1 . 2]" 1
42 1 2 TRP HZ3 1 3 LYS HA 3.800 . 5.600 4.022 3.340 4.697 . 0 0 "[ . 1 . 2]" 1
43 1 2 TRP HZ3 1 3 LYS HB2 4.400 . 6.000 5.323 4.739 5.585 . 0 0 "[ . 1 . 2]" 1
44 1 2 TRP HZ3 1 7 PHE HB3 4.400 . 6.000 3.738 3.479 3.968 . 0 0 "[ . 1 . 2]" 1
45 1 2 TRP HZ3 1 7 PHE HB3 4.000 . 6.000 3.854 3.538 4.121 . 0 0 "[ . 1 . 2]" 1
46 1 2 TRP HZ3 1 7 PHE HB3 3.400 . 4.800 3.966 3.637 4.271 . 0 0 "[ . 1 . 2]" 1
47 1 2 TRP HZ3 1 8 LYS HB3 4.800 . 6.000 4.025 3.480 4.306 . 0 0 "[ . 1 . 2]" 1
48 1 2 TRP HZ3 1 8 LYS QG 4.500 . 6.000 3.481 3.267 3.678 . 0 0 "[ . 1 . 2]" 1
49 1 2 TRP HZ3 1 8 LYS QG 4.600 . 6.000 4.211 3.941 4.396 . 0 0 "[ . 1 . 2]" 1
50 1 2 TRP HZ3 2 2 LEU HA 4.400 . 6.000 6.172 6.086 6.238 0.238 18 0 "[ . 1 . 2]" 1
51 1 2 TRP HZ3 2 3 LEU MD1 4.500 . 6.000 3.420 2.946 3.627 . 0 0 "[ . 1 . 2]" 1
52 1 2 TRP HZ3 2 7 HIS HB2 3.400 . 6.000 5.834 5.612 5.874 . 0 0 "[ . 1 . 2]" 1
53 1 3 LYS HA 1 6 PHE HB2 2.800 . 3.800 3.668 3.494 3.849 0.049 12 0 "[ . 1 . 2]" 1
54 1 3 LYS HA 1 3 LYS HB2 2.000 . 2.500 1.868 1.791 2.037 . 0 0 "[ . 1 . 2]" 1
55 1 3 LYS HA 1 3 LYS HD3 3.100 . 4.300 2.973 2.315 3.182 . 0 0 "[ . 1 . 2]" 1
56 1 3 LYS HA 1 3 LYS HD3 2.300 . 3.000 3.245 2.908 3.392 0.392 14 0 "[ . 1 . 2]" 1
57 1 3 LYS HA 1 3 LYS HE3 4.500 . 6.000 4.777 4.493 5.050 . 0 0 "[ . 1 . 2]" 1
58 1 3 LYS HA 1 6 PHE HA 3.900 . 6.000 6.044 5.892 6.151 0.151 17 0 "[ . 1 . 2]" 1
59 1 3 LYS HA 1 6 PHE QE 3.100 . 4.300 2.093 1.888 2.762 0.012 18 0 "[ . 1 . 2]" 1
60 1 3 LYS HA 1 6 PHE QE 2.700 . 3.600 2.094 1.888 2.770 . 0 0 "[ . 1 . 2]" 1
61 1 3 LYS HA 1 6 PHE QE 2.900 . 4.000 2.077 1.882 2.667 . 0 0 "[ . 1 . 2]" 1
62 1 3 LYS HA 1 7 PHE HB2 2.900 . 4.000 2.965 2.491 3.687 . 0 0 "[ . 1 . 2]" 1
63 1 3 LYS HA 1 10 ASN HB3 4.500 . 6.000 5.438 4.807 6.060 0.060 11 0 "[ . 1 . 2]" 1
64 1 3 LYS HB2 1 4 VAL HB 3.800 . 5.600 4.773 3.976 5.358 . 0 0 "[ . 1 . 2]" 1
65 1 3 LYS HB2 1 4 VAL MG2 3.200 . 4.500 3.715 3.419 3.859 . 0 0 "[ . 1 . 2]" 1
66 1 3 LYS HB2 1 4 VAL MG1 3.200 . 4.500 3.122 1.904 3.703 . 0 0 "[ . 1 . 2]" 1
67 1 3 LYS HB2 1 6 PHE QE 3.000 . 4.100 3.216 2.527 3.708 . 0 0 "[ . 1 . 2]" 1
68 1 3 LYS HB2 1 6 PHE QE 3.300 . 4.600 2.635 2.118 3.171 . 0 0 "[ . 1 . 2]" 1
69 1 3 LYS HB2 2 4 ILE MD 3.700 . 5.400 4.103 2.924 4.891 . 0 0 "[ . 1 . 2]" 1
70 1 3 LYS HB2 2 4 ILE QG 4.000 . 6.000 4.910 4.186 5.263 . 0 0 "[ . 1 . 2]" 1
71 1 3 LYS HB2 2 4 ILE MD 4.100 . 6.000 3.553 2.896 4.093 . 0 0 "[ . 1 . 2]" 1
72 1 3 LYS HB2 2 4 ILE MD 3.200 . 4.500 3.227 1.896 3.987 0.004 15 0 "[ . 1 . 2]" 1
73 1 3 LYS HB3 1 4 VAL HB 3.400 . 4.800 4.071 2.876 4.773 . 0 0 "[ . 1 . 2]" 1
74 1 3 LYS HB3 1 7 PHE QD 3.000 . 4.100 3.167 2.710 3.504 . 0 0 "[ . 1 . 2]" 1
75 1 3 LYS HD3 1 4 VAL HB 4.400 . 6.000 3.968 2.990 4.321 . 0 0 "[ . 1 . 2]" 1
76 1 3 LYS HD3 1 4 VAL HB 4.300 . 6.000 3.957 3.002 4.396 . 0 0 "[ . 1 . 2]" 1
77 1 3 LYS HD3 1 7 PHE HB2 3.600 . 5.300 3.295 1.598 3.952 0.302 17 0 "[ . 1 . 2]" 1
78 1 3 LYS HD3 1 7 PHE HB2 3.000 . 4.200 3.621 2.298 4.323 0.123 1 0 "[ . 1 . 2]" 1
79 1 3 LYS HD3 1 7 PHE QE 3.500 . 5.000 3.062 1.989 4.613 0.011 15 0 "[ . 1 . 2]" 1
80 1 3 LYS HD3 1 11 ARG HE 4.200 . 6.000 5.157 4.814 5.425 . 0 0 "[ . 1 . 2]" 1
81 1 3 LYS HD3 2 1 LYS QG 3.600 . 5.200 3.294 2.621 4.039 . 0 0 "[ . 1 . 2]" 1
82 1 3 LYS HE3 1 7 PHE HZ 4.300 . 6.000 5.167 4.249 5.692 . 0 0 "[ . 1 . 2]" 1
83 1 3 LYS HE3 2 4 ILE HB 4.500 . 6.000 3.736 2.905 4.326 . 0 0 "[ . 1 . 2]" 1
84 1 3 LYS HE3 2 1 LYS HB2 3.500 . 5.000 4.742 4.401 5.145 0.145 5 0 "[ . 1 . 2]" 1
85 1 3 LYS HE3 2 4 ILE MG 5.000 . 6.000 3.515 2.811 3.908 . 0 0 "[ . 1 . 2]" 1
86 1 3 LYS HG2 1 7 PHE QD 3.900 . 5.800 2.573 2.317 2.905 . 0 0 "[ . 1 . 2]" 1
87 1 3 LYS HG2 1 7 PHE QE 4.500 . 6.000 3.940 3.623 4.231 . 0 0 "[ . 1 . 2]" 1
88 1 3 LYS HG2 1 8 LYS HB2 4.500 . 6.000 5.789 5.071 6.122 0.122 11 0 "[ . 1 . 2]" 1
89 1 3 LYS HG2 1 8 LYS HB3 4.800 . 6.000 5.420 4.873 5.781 . 0 0 "[ . 1 . 2]" 1
90 1 3 LYS HG2 1 8 LYS QG 4.600 . 6.000 4.747 4.212 5.077 . 0 0 "[ . 1 . 2]" 1
91 1 4 VAL HA 1 8 LYS HB3 4.500 . 6.000 3.503 3.224 3.927 . 0 0 "[ . 1 . 2]" 1
92 1 4 VAL HA 1 4 VAL QG 1.600 . 6.000 1.910 1.752 2.027 . 0 0 "[ . 1 . 2]" 1
93 1 4 VAL HA 1 7 PHE HB3 3.100 . 4.300 2.010 1.814 2.258 0.086 19 0 "[ . 1 . 2]" 1
94 1 4 VAL HA 1 7 PHE QE 4.400 . 6.000 5.203 5.005 5.308 . 0 0 "[ . 1 . 2]" 1
95 1 4 VAL HA 1 8 LYS HB3 3.500 . 5.000 2.636 2.462 2.888 . 0 0 "[ . 1 . 2]" 1
96 1 4 VAL HA 2 4 ILE MD 3.400 . 4.900 2.281 1.856 2.539 0.044 15 0 "[ . 1 . 2]" 1
97 1 4 VAL HB 1 7 PHE HB3 3.800 . 5.600 3.895 3.741 4.218 . 0 0 "[ . 1 . 2]" 1
98 1 4 VAL HB 1 7 PHE HB3 3.700 . 5.400 4.037 3.804 4.578 . 0 0 "[ . 1 . 2]" 1
99 1 4 VAL HB 1 7 PHE QE 3.500 . 5.000 4.353 3.935 4.683 . 0 0 "[ . 1 . 2]" 1
100 1 4 VAL HB 1 8 LYS HB3 3.800 . 5.600 3.645 3.476 3.795 . 0 0 "[ . 1 . 2]" 1
101 1 4 VAL HB 1 8 LYS QG 4.100 . 6.000 4.014 3.607 4.257 . 0 0 "[ . 1 . 2]" 1
102 1 4 VAL HB 1 11 ARG HE 3.700 . 5.400 4.737 4.150 6.007 0.607 11 3 "[ *- 1+ . 2]" 1
103 1 4 VAL QG 1 8 LYS HB3 4.100 . 6.000 1.966 1.869 2.266 0.131 20 0 "[ . 1 . 2]" 1
104 1 4 VAL QG 1 8 LYS HD3 3.100 . 4.300 3.337 3.004 3.583 . 0 0 "[ . 1 . 2]" 1
105 1 4 VAL QG 2 8 ASP HA 3.700 . 5.400 4.597 4.314 4.923 . 0 0 "[ . 1 . 2]" 1
106 1 4 VAL MG1 1 6 PHE QE 2.000 . 6.000 5.695 5.266 5.987 . 0 0 "[ . 1 . 2]" 1
107 1 4 VAL MG1 1 7 PHE HB2 3.800 . 5.600 3.239 2.042 4.073 . 0 0 "[ . 1 . 2]" 1
108 1 4 VAL MG1 1 7 PHE HB3 3.300 . 4.700 3.068 2.847 3.311 . 0 0 "[ . 1 . 2]" 1
109 1 6 PHE H 1 7 PHE HB3 3.600 . 5.200 3.456 3.326 3.551 . 0 0 "[ . 1 . 2]" 1
110 1 6 PHE H 1 10 ASN HB2 4.200 . 6.000 4.896 4.606 5.235 . 0 0 "[ . 1 . 2]" 1
111 1 6 PHE HA 1 6 PHE HB2 2.200 . 2.800 2.315 2.207 2.477 . 0 0 "[ . 1 . 2]" 1
112 1 6 PHE HA 1 6 PHE QE 3.300 . 6.000 5.485 5.319 5.534 . 0 0 "[ . 1 . 2]" 1
113 1 6 PHE HA 1 7 PHE H 2.100 . 2.700 2.437 2.423 2.449 . 0 0 "[ . 1 . 2]" 1
114 1 6 PHE HA 1 9 ARG HD3 3.000 . 4.100 2.112 1.813 2.210 0.087 13 0 "[ . 1 . 2]" 1
115 1 6 PHE HB2 1 7 PHE H 4.000 . 6.000 3.675 3.432 3.945 . 0 0 "[ . 1 . 2]" 1
116 1 6 PHE HB2 1 10 ASN HA 4.000 . 6.000 5.979 5.881 6.056 0.056 14 0 "[ . 1 . 2]" 1
117 1 6 PHE HB2 1 10 ASN HB2 3.200 . 4.500 4.066 3.725 4.320 . 0 0 "[ . 1 . 2]" 1
118 1 7 PHE H 1 7 PHE HB3 2.900 . 3.900 2.103 1.995 2.178 . 0 0 "[ . 1 . 2]" 1
119 1 7 PHE H 1 7 PHE HB3 2.700 . 3.600 2.041 1.909 2.153 . 0 0 "[ . 1 . 2]" 1
120 1 7 PHE H 1 9 ARG H 2.400 . 3.100 2.586 2.452 2.665 . 0 0 "[ . 1 . 2]" 1
121 1 7 PHE H 1 10 ASN HB2 4.100 . 6.000 3.997 3.474 4.431 . 0 0 "[ . 1 . 2]" 1
122 1 7 PHE HA 1 7 PHE QD 2.200 . 2.800 1.911 1.657 2.139 . 0 0 "[ . 1 . 2]" 1
123 1 7 PHE HA 1 7 PHE QE 3.300 . 4.700 3.849 3.736 4.021 . 0 0 "[ . 1 . 2]" 1
124 1 7 PHE HA 1 11 ARG HB3 3.900 . 5.800 4.728 4.560 4.875 . 0 0 "[ . 1 . 2]" 1
125 1 7 PHE HB2 1 7 PHE QD 3.300 . 4.600 2.325 2.174 2.411 . 0 0 "[ . 1 . 2]" 1
126 1 7 PHE HB2 2 4 ILE MG 3.700 . 5.400 3.341 2.044 4.321 . 0 0 "[ . 1 . 2]" 1
127 1 7 PHE HB2 2 4 ILE MD 4.300 . 6.000 4.450 3.848 4.949 . 0 0 "[ . 1 . 2]" 1
128 1 7 PHE HB2 2 4 ILE QG 4.100 . 6.000 4.108 3.453 4.614 . 0 0 "[ . 1 . 2]" 1
129 1 7 PHE HB3 1 7 PHE QD 2.300 . 3.000 1.840 1.815 1.887 . 0 0 "[ . 1 . 2]" 1
130 1 7 PHE HB3 1 7 PHE QD 2.100 . 2.700 1.950 1.931 1.983 . 0 0 "[ . 1 . 2]" 1
131 1 7 PHE HB3 1 7 PHE QD 2.400 . 3.100 2.270 2.223 2.372 . 0 0 "[ . 1 . 2]" 1
132 1 7 PHE HB3 1 7 PHE QE 3.500 . 5.000 3.653 3.641 3.666 . 0 0 "[ . 1 . 2]" 1
133 1 7 PHE HB3 1 7 PHE QE 3.900 . 5.800 3.369 3.360 3.379 . 0 0 "[ . 1 . 2]" 1
134 1 7 PHE HB3 1 8 LYS HD3 4.200 . 6.000 3.273 1.815 4.183 0.185 3 0 "[ . 1 . 2]" 1
135 1 7 PHE HB3 1 8 LYS QG 3.800 . 5.600 3.219 2.185 3.626 . 0 0 "[ . 1 . 2]" 1
136 1 7 PHE HB3 1 11 ARG HB3 3.900 . 5.800 4.382 4.074 4.876 . 0 0 "[ . 1 . 2]" 1
137 1 7 PHE HB3 1 11 ARG HB3 4.300 . 6.000 5.651 5.017 5.915 . 0 0 "[ . 1 . 2]" 1
138 1 7 PHE HB3 2 1 LYS QG 4.700 . 6.000 3.895 3.400 4.197 . 0 0 "[ . 1 . 2]" 1
139 1 7 PHE HB3 2 1 LYS QG 3.300 . 4.700 3.575 3.218 4.195 . 0 0 "[ . 1 . 2]" 1
140 1 7 PHE HB3 2 4 ILE MD 2.900 . 3.900 2.723 2.021 2.998 . 0 0 "[ . 1 . 2]" 1
141 1 7 PHE QD 2 4 ILE HA 2.700 . 3.600 2.101 1.885 2.692 . 0 0 "[ . 1 . 2]" 1
142 1 7 PHE QD 1 8 LYS QG 3.900 . 5.800 5.213 4.752 5.312 . 0 0 "[ . 1 . 2]" 1
143 1 7 PHE QD 1 10 ASN HA 3.200 . 4.400 3.904 3.850 3.946 . 0 0 "[ . 1 . 2]" 1
144 1 7 PHE QD 1 10 ASN HB2 4.100 . 6.000 2.981 2.572 3.711 . 0 0 "[ . 1 . 2]" 1
145 1 7 PHE QD 1 11 ARG HE 2.700 . 3.600 1.943 1.907 2.010 . 0 0 "[ . 1 . 2]" 1
146 1 7 PHE QD 2 4 ILE MG 3.300 . 4.600 2.171 1.795 2.611 0.205 2 0 "[ . 1 . 2]" 1
147 1 7 PHE QD 2 5 THR HA 4.700 . 6.000 5.834 5.732 5.936 . 0 0 "[ . 1 . 2]" 1
148 1 7 PHE QE 2 1 LYS QG 3.800 . 5.600 4.089 3.117 4.309 . 0 0 "[ . 1 . 2]" 1
149 1 7 PHE QE 1 8 LYS QG 4.400 . 6.000 5.331 5.010 5.452 . 0 0 "[ . 1 . 2]" 1
150 1 7 PHE QE 1 11 ARG HB2 4.000 . 6.000 3.636 3.066 4.305 . 0 0 "[ . 1 . 2]" 1
151 1 7 PHE QE 1 11 ARG HB3 3.700 . 5.400 3.689 2.954 4.354 . 0 0 "[ . 1 . 2]" 1
152 1 7 PHE QE 1 11 ARG HE 3.200 . 4.500 2.458 1.982 2.907 . 0 0 "[ . 1 . 2]" 1
153 1 7 PHE QE 1 11 ARG HE 3.500 . 5.000 2.469 1.984 2.939 0.016 2 0 "[ . 1 . 2]" 1
154 1 7 PHE QE 1 11 ARG HG3 3.200 . 4.500 3.364 2.700 3.736 . 0 0 "[ . 1 . 2]" 1
155 1 7 PHE QE 2 1 LYS QG 3.600 . 5.200 4.462 3.157 4.849 . 0 0 "[ . 1 . 2]" 1
156 1 7 PHE QE 2 1 LYS QG 3.600 . 5.200 4.561 3.163 4.948 . 0 0 "[ . 1 . 2]" 1
157 1 7 PHE QE 2 2 LEU HA 4.200 . 6.000 4.813 3.942 5.451 . 0 0 "[ . 1 . 2]" 1
158 1 7 PHE QE 2 4 ILE MG 3.700 . 5.500 2.480 1.875 3.055 0.025 15 0 "[ . 1 . 2]" 1
159 1 7 PHE QE 2 4 ILE HB 3.500 . 5.100 2.777 2.145 3.436 . 0 0 "[ . 1 . 2]" 1
160 1 7 PHE QE 2 4 ILE HB 3.800 . 5.600 2.866 2.172 3.614 . 0 0 "[ . 1 . 2]" 1
161 1 7 PHE QE 2 4 ILE MG 3.900 . 5.800 2.176 1.986 2.975 0.014 2 0 "[ . 1 . 2]" 1
162 1 7 PHE QE 2 4 ILE MD 3.800 . 5.600 2.315 2.082 3.509 . 0 0 "[ . 1 . 2]" 1
163 1 7 PHE QE 2 4 ILE QG 4.800 . 6.000 3.729 3.341 3.917 . 0 0 "[ . 1 . 2]" 1
164 1 7 PHE HZ 1 11 ARG HA 3.800 . 5.600 3.158 2.917 3.420 . 0 0 "[ . 1 . 2]" 1
165 1 7 PHE HZ 2 4 ILE HB 3.700 . 5.400 2.836 2.162 3.484 . 0 0 "[ . 1 . 2]" 1
166 1 8 LYS H 1 8 LYS HA 2.100 . 2.600 2.014 1.960 2.072 . 0 0 "[ . 1 . 2]" 1
167 1 8 LYS H 2 4 ILE QG 4.400 . 6.000 3.028 1.979 3.563 0.021 11 0 "[ . 1 . 2]" 1
168 1 8 LYS H 2 4 ILE MG 3.600 . 5.200 2.779 2.201 3.344 . 0 0 "[ . 1 . 2]" 1
169 1 8 LYS HA 1 8 LYS HB3 2.200 . 2.800 2.195 2.045 2.241 . 0 0 "[ . 1 . 2]" 1
170 1 8 LYS HA 1 9 ARG H 2.300 . 2.900 2.874 2.691 2.940 0.040 19 0 "[ . 1 . 2]" 1
171 1 8 LYS HA 1 10 ASN HB3 4.300 . 6.000 5.023 4.522 5.571 . 0 0 "[ . 1 . 2]" 1
172 1 8 LYS HA 2 4 ILE MD 3.700 . 5.400 1.879 1.628 2.049 0.372 6 0 "[ . 1 . 2]" 1
173 1 8 LYS HA 2 4 ILE MG 2.700 . 3.600 2.312 2.129 2.465 . 0 0 "[ . 1 . 2]" 1
174 1 8 LYS HB2 2 8 ASP HB2 3.700 . 5.400 4.025 3.587 4.452 . 0 0 "[ . 1 . 2]" 1
175 1 8 LYS HB3 1 8 LYS HE2 3.200 . 4.500 2.468 1.867 3.665 0.033 18 0 "[ . 1 . 2]" 1
176 1 8 LYS HB3 1 8 LYS QG 2.300 . 2.900 2.000 1.987 2.018 . 0 0 "[ . 1 . 2]" 1
177 1 8 LYS HB3 2 4 ILE MD 4.300 . 6.000 2.305 1.785 2.691 0.215 6 0 "[ . 1 . 2]" 1
178 1 8 LYS HB3 2 11 GLU HG3 3.000 . 4.100 3.578 2.861 4.004 . 0 0 "[ . 1 . 2]" 1
179 1 8 LYS HD3 1 8 LYS HE2 1.700 . 2.200 2.122 1.761 2.652 0.452 2 0 "[ . 1 . 2]" 1
180 1 8 LYS HD3 1 8 LYS HE2 2.200 . 2.800 2.398 1.562 3.000 0.200 2 0 "[ . 1 . 2]" 1
181 1 8 LYS HD3 1 8 LYS QG 2.000 . 2.500 1.886 1.817 1.998 . 0 0 "[ . 1 . 2]" 1
182 1 8 LYS HD3 1 8 LYS QG 2.100 . 2.600 1.929 1.835 2.049 . 0 0 "[ . 1 . 2]" 1
183 1 8 LYS HE2 1 8 LYS QG 2.300 . 2.900 2.130 1.919 2.307 . 0 0 "[ . 1 . 2]" 1
184 1 8 LYS HE2 1 9 ARG HB3 4.300 . 6.000 2.450 1.867 3.586 0.033 18 0 "[ . 1 . 2]" 1
185 1 8 LYS HE2 2 11 GLU HB2 4.300 . 6.000 4.122 3.777 4.501 . 0 0 "[ . 1 . 2]" 1
186 1 8 LYS QG 1 11 ARG HE 3.500 . 5.000 4.461 4.124 4.724 . 0 0 "[ . 1 . 2]" 1
187 1 8 LYS QG 2 4 ILE MG 2.600 . 3.400 3.033 2.729 3.154 . 0 0 "[ . 1 . 2]" 1
188 1 8 LYS QG 2 4 ILE MD 2.900 . 4.000 2.921 2.386 3.365 . 0 0 "[ . 1 . 2]" 1
189 1 8 LYS QG 2 8 ASP HB2 4.300 . 6.000 4.943 4.754 5.102 . 0 0 "[ . 1 . 2]" 1
190 1 8 LYS QG 2 11 GLU HB2 3.600 . 5.200 3.173 2.438 3.669 . 0 0 "[ . 1 . 2]" 1
191 1 8 LYS QG 2 11 GLU HG2 4.100 . 6.000 3.905 1.907 4.611 0.093 20 0 "[ . 1 . 2]" 1
192 1 8 LYS QG 2 11 GLU HB2 3.500 . 5.100 3.221 2.959 3.401 . 0 0 "[ . 1 . 2]" 1
193 1 9 ARG HA 1 9 ARG HG3 2.600 . 3.400 2.699 2.180 3.255 . 0 0 "[ . 1 . 2]" 1
194 1 9 ARG HA 1 10 ASN HB2 4.300 . 6.000 4.865 4.569 5.141 . 0 0 "[ . 1 . 2]" 1
195 1 9 ARG HA 2 11 GLU HG3 4.100 . 6.000 5.925 5.724 6.063 0.063 11 0 "[ . 1 . 2]" 1
196 1 9 ARG HB2 1 9 ARG QD 2.300 . 3.000 2.398 1.821 2.657 . 0 0 "[ . 1 . 2]" 1
197 1 9 ARG HB2 1 9 ARG HG3 2.000 . 2.500 2.000 1.862 2.115 . 0 0 "[ . 1 . 2]" 1
198 1 9 ARG HB3 1 9 ARG QD 2.400 . 3.100 1.972 1.649 2.361 0.051 11 0 "[ . 1 . 2]" 1
199 1 9 ARG HB3 1 9 ARG HG3 2.200 . 2.800 2.151 2.013 2.213 . 0 0 "[ . 1 . 2]" 1
200 1 9 ARG QD 1 9 ARG HG3 2.000 . 2.500 1.938 1.691 2.030 . 0 0 "[ . 1 . 2]" 1
201 1 9 ARG HG3 1 10 ASN HB2 3.900 . 5.800 4.681 3.215 5.395 . 0 0 "[ . 1 . 2]" 1
202 1 10 ASN HA 1 11 ARG HG3 3.800 . 5.600 5.135 4.404 5.526 . 0 0 "[ . 1 . 2]" 1
203 1 10 ASN HB2 1 11 ARG HG3 4.200 . 6.000 5.093 3.234 5.660 . 0 0 "[ . 1 . 2]" 1
204 1 10 ASN HB3 2 1 LYS QG 4.800 . 6.000 5.771 5.430 5.913 . 0 0 "[ . 1 . 2]" 1
205 1 11 ARG H 1 11 ARG HD2 4.100 . 6.000 3.516 2.337 3.940 . 0 0 "[ . 1 . 2]" 1
206 1 11 ARG HA 2 4 ILE QG 4.600 . 6.000 5.798 5.272 6.018 0.018 14 0 "[ . 1 . 2]" 1
207 1 11 ARG HB3 1 11 ARG HE 2.200 . 2.800 2.415 2.013 3.275 0.475 19 0 "[ . 1 . 2]" 1
208 1 11 ARG HB3 2 5 THR HA 4.200 . 6.000 5.486 5.235 5.621 . 0 0 "[ . 1 . 2]" 1
209 1 11 ARG HD3 2 4 ILE QG 3.900 . 5.800 4.555 4.182 5.890 0.090 11 0 "[ . 1 . 2]" 1
210 1 11 ARG HD3 2 4 ILE MG 3.600 . 5.200 1.962 1.676 3.175 0.324 9 0 "[ . 1 . 2]" 1
211 1 11 ARG HG3 2 4 ILE MG 3.200 . 4.500 3.072 1.904 3.558 . 0 0 "[ . 1 . 2]" 1
212 1 11 ARG HG3 2 4 ILE MG 3.600 . 5.200 2.815 2.219 3.665 . 0 0 "[ . 1 . 2]" 1
213 1 11 ARG HG3 2 8 ASP HA 4.600 . 6.000 5.094 4.378 5.448 . 0 0 "[ . 1 . 2]" 1
214 1 11 ARG HG3 2 8 ASP HB3 3.900 . 5.800 4.227 2.487 5.145 . 0 0 "[ . 1 . 2]" 1
215 2 1 LYS HA 2 3 LEU MD1 4.100 . 6.000 3.918 3.621 4.227 . 0 0 "[ . 1 . 2]" 1
216 2 1 LYS HD2 2 2 LEU MD1 3.300 . 4.700 3.193 1.906 3.900 . 0 0 "[ . 1 . 2]" 1
217 2 1 LYS QG 2 2 LEU HB2 3.700 . 5.400 4.119 3.982 4.236 . 0 0 "[ . 1 . 2]" 1
218 2 1 LYS QG 2 2 LEU MD1 2.900 . 3.900 3.142 3.066 3.236 . 0 0 "[ . 1 . 2]" 1
219 2 1 LYS QG 2 4 ILE H 2.700 . 3.600 3.273 3.163 3.386 . 0 0 "[ . 1 . 2]" 1
220 2 1 LYS QG 2 4 ILE MD 3.200 . 4.500 3.373 2.707 3.879 . 0 0 "[ . 1 . 2]" 1
221 2 2 LEU HA 2 2 LEU HB2 3.400 . 4.800 2.392 2.355 2.450 . 0 0 "[ . 1 . 2]" 1
222 2 2 LEU HA 2 2 LEU MD1 2.500 . 3.300 2.019 1.873 2.207 . 0 0 "[ . 1 . 2]" 1
223 2 2 LEU HA 2 3 LEU H 2.500 . 3.300 2.624 2.578 2.651 . 0 0 "[ . 1 . 2]" 1
224 2 2 LEU HA 2 4 ILE MD 4.300 . 6.000 3.353 3.225 3.447 . 0 0 "[ . 1 . 2]" 1
225 2 2 LEU HA 2 4 ILE HB 3.700 . 5.400 3.649 3.399 3.835 . 0 0 "[ . 1 . 2]" 1
226 2 2 LEU HA 2 4 ILE MD 4.100 . 6.000 3.718 3.473 3.844 . 0 0 "[ . 1 . 2]" 1
227 2 2 LEU HB2 2 3 LEU H 2.800 . 3.700 3.305 3.240 3.387 . 0 0 "[ . 1 . 2]" 1
228 2 3 LEU HA 2 5 THR HB 3.100 . 4.300 2.832 2.496 2.979 . 0 0 "[ . 1 . 2]" 1
229 2 3 LEU HA 2 7 HIS HD1 3.700 . 5.400 3.025 2.903 3.151 . 0 0 "[ . 1 . 2]" 1
230 2 3 LEU HB2 2 7 HIS HD1 3.400 . 4.800 2.689 1.942 3.640 0.058 15 0 "[ . 1 . 2]" 1
231 2 3 LEU HB2 2 6 ILE H 3.700 . 5.400 3.469 3.129 3.604 . 0 0 "[ . 1 . 2]" 1
232 2 3 LEU HB2 2 6 ILE H 3.400 . 4.800 2.482 1.688 3.602 0.312 19 0 "[ . 1 . 2]" 1
233 2 3 LEU MD1 2 7 HIS HD1 3.000 . 4.100 2.163 1.882 2.508 0.018 15 0 "[ . 1 . 2]" 1
234 2 3 LEU MD1 2 7 HIS HB2 4.200 . 6.000 3.313 3.146 3.521 . 0 0 "[ . 1 . 2]" 1
235 2 3 LEU HG 2 4 ILE MD 4.100 . 6.000 2.945 2.235 4.113 . 0 0 "[ . 1 . 2]" 1
236 2 4 ILE HA 2 4 ILE QG 3.500 . 5.000 2.048 2.007 2.083 . 0 0 "[ . 1 . 2]" 1
237 2 4 ILE HB 2 4 ILE MD 3.900 . 5.800 2.814 2.323 2.871 . 0 0 "[ . 1 . 2]" 1
238 2 4 ILE QG 2 4 ILE MG 2.800 . 3.800 2.043 1.961 2.140 . 0 0 "[ . 1 . 2]" 1
239 2 4 ILE MG 2 11 GLU HG3 2.700 . 6.000 5.462 5.148 5.547 . 0 0 "[ . 1 . 2]" 1
240 2 5 THR MG 2 6 ILE H 4.000 . 6.000 3.071 1.979 3.694 0.021 11 0 "[ . 1 . 2]" 1
241 2 6 ILE H 2 6 ILE HB 2.900 . 3.900 1.936 1.864 2.007 0.036 4 0 "[ . 1 . 2]" 1
242 2 6 ILE H 2 7 HIS HB3 3.600 . 5.200 2.754 2.339 3.363 . 0 0 "[ . 1 . 2]" 1
243 2 6 ILE HA 2 7 HIS HB3 3.700 . 5.400 2.940 1.970 3.756 0.030 14 0 "[ . 1 . 2]" 1
244 2 6 ILE HB 2 6 ILE MD 3.400 . 4.800 2.023 1.872 2.070 0.128 17 0 "[ . 1 . 2]" 1
245 2 7 HIS HA 2 8 ASP H 2.700 . 3.600 2.724 2.692 2.738 . 0 0 "[ . 1 . 2]" 1
246 2 7 HIS HA 2 9 ARG H 2.700 . 3.600 3.170 2.862 3.386 . 0 0 "[ . 1 . 2]" 1
247 2 7 HIS HB2 2 9 ARG HB2 4.500 . 6.000 5.588 3.563 5.959 . 0 0 "[ . 1 . 2]" 1
248 2 7 HIS HB3 2 7 HIS HD1 3.200 . 4.500 2.047 2.032 2.096 . 0 0 "[ . 1 . 2]" 1
249 2 7 HIS HB3 2 10 LYS QG 3.200 . 4.500 3.209 3.016 3.631 . 0 0 "[ . 1 . 2]" 1
250 2 7 HIS HB3 2 10 LYS QG 3.500 . 5.000 3.493 3.330 3.811 . 0 0 "[ . 1 . 2]" 1
251 2 7 HIS HB3 2 11 GLU HB2 4.100 . 6.000 4.067 2.795 4.293 . 0 0 "[ . 1 . 2]" 1
252 2 7 HIS HB3 2 11 GLU HB2 4.200 . 6.000 3.912 2.780 4.130 . 0 0 "[ . 1 . 2]" 1
253 2 7 HIS HB3 2 11 GLU QG 3.800 . 5.600 3.970 1.896 4.247 0.104 15 0 "[ . 1 . 2]" 1
254 2 7 HIS HB3 2 11 GLU HG3 3.700 . 5.400 4.058 1.932 4.368 0.068 15 0 "[ . 1 . 2]" 1
255 2 7 HIS HD1 2 11 GLU HB2 4.100 . 6.000 3.466 3.008 3.884 . 0 0 "[ . 1 . 2]" 1
256 2 7 HIS HD1 2 11 GLU HG3 3.300 . 4.700 3.735 2.737 4.815 0.115 15 0 "[ . 1 . 2]" 1
257 2 8 ASP HB3 2 9 ARG HB2 4.500 . 6.000 4.232 4.133 4.388 . 0 0 "[ . 1 . 2]" 1
258 2 9 ARG H 2 9 ARG HB2 2.200 . 2.800 2.196 2.045 3.074 0.274 14 0 "[ . 1 . 2]" 1
259 2 9 ARG HA 2 11 GLU HB2 3.500 . 5.000 4.945 4.792 5.061 0.061 15 0 "[ . 1 . 2]" 1
260 2 10 LYS HA 2 10 LYS QG 2.100 . 2.700 2.003 1.872 2.058 . 0 0 "[ . 1 . 2]" 1
261 2 10 LYS HA 2 10 LYS QG 2.400 . 3.100 2.533 2.086 2.762 . 0 0 "[ . 1 . 2]" 1
262 2 10 LYS HA 2 11 GLU H 2.400 . 3.100 2.701 2.627 2.735 . 0 0 "[ . 1 . 2]" 1
263 2 10 LYS HA 2 12 PHE H 2.400 . 3.100 2.981 2.842 3.161 0.061 15 0 "[ . 1 . 2]" 1
264 2 10 LYS HA 2 12 PHE H 2.500 . 3.300 2.239 2.203 2.296 . 0 0 "[ . 1 . 2]" 1
265 2 10 LYS HB2 2 11 GLU HG2 3.300 . 4.700 4.012 3.582 4.596 . 0 0 "[ . 1 . 2]" 1
266 2 10 LYS HB2 2 12 PHE H 3.400 . 4.900 3.421 3.329 3.594 . 0 0 "[ . 1 . 2]" 1
267 2 11 GLU H 2 12 PHE H 2.500 . 3.300 1.899 1.767 2.199 . 0 0 "[ . 1 . 2]" 1
268 2 11 GLU HA 2 11 GLU HB2 3.500 . 5.000 2.269 2.204 2.379 . 0 0 "[ . 1 . 2]" 1
269 2 11 GLU HB2 2 11 GLU QG 3.100 . 4.300 2.088 2.078 2.100 . 0 0 "[ . 1 . 2]" 1
270 2 11 GLU HB2 2 14 LYS HD2 4.000 . 6.000 4.983 4.424 5.816 . 0 0 "[ . 1 . 2]" 1
271 2 11 GLU HB2 2 14 LYS HD2 4.100 . 6.000 5.498 4.481 6.007 0.007 13 0 "[ . 1 . 2]" 1
272 2 12 PHE HA 2 12 PHE HB2 1.900 . 2.400 2.064 2.003 2.131 . 0 0 "[ . 1 . 2]" 1
273 2 12 PHE HA 2 12 PHE QD 2.700 . 3.600 2.452 2.186 2.761 . 0 0 "[ . 1 . 2]" 1
274 2 12 PHE HA 2 14 LYS HB2 3.400 . 4.800 4.301 4.144 4.452 . 0 0 "[ . 1 . 2]" 1
275 2 12 PHE HA 2 14 LYS HD2 3.000 . 4.100 3.959 2.137 4.806 0.706 12 3 "[* - 1 + . 2]" 1
276 2 12 PHE HA 2 14 LYS HG2 3.800 . 5.600 3.591 3.354 3.853 . 0 0 "[ . 1 . 2]" 1
277 2 12 PHE HA 2 15 PHE QE 3.300 . 6.000 4.977 4.784 5.276 . 0 0 "[ . 1 . 2]" 1
278 2 12 PHE HB2 2 12 PHE QD 3.000 . 4.100 2.016 1.952 2.056 . 0 0 "[ . 1 . 2]" 1
279 2 12 PHE HB2 2 16 GLU HG3 4.400 . 6.000 4.508 4.309 4.625 . 0 0 "[ . 1 . 2]" 1
280 2 12 PHE HB3 2 12 PHE QE 3.800 . 5.600 3.658 3.650 3.679 . 0 0 "[ . 1 . 2]" 1
281 2 12 PHE HB3 2 16 GLU HB2 3.800 . 5.600 4.028 3.842 4.449 . 0 0 "[ . 1 . 2]" 1
282 2 12 PHE HB3 2 16 GLU HG3 3.900 . 5.800 4.297 3.938 4.690 . 0 0 "[ . 1 . 2]" 1
283 2 12 PHE HB3 2 16 GLU HG3 4.000 . 6.000 4.119 3.700 4.435 . 0 0 "[ . 1 . 2]" 1
284 2 12 PHE QD 2 14 LYS HD3 3.200 . 6.000 5.329 2.674 6.172 0.172 17 0 "[ . 1 . 2]" 1
285 2 12 PHE QE 2 16 GLU HB3 4.200 . 6.000 3.801 3.168 4.542 . 0 0 "[ . 1 . 2]" 1
286 2 12 PHE QE 2 16 GLU HG2 3.800 . 5.600 3.734 2.667 4.178 . 0 0 "[ . 1 . 2]" 1
287 2 12 PHE QE 2 16 GLU HG3 3.300 . 4.700 2.676 2.258 3.198 . 0 0 "[ . 1 . 2]" 1
288 2 13 ALA HA 2 16 GLU HB3 3.500 . 5.000 2.353 2.273 2.505 . 0 0 "[ . 1 . 2]" 1
289 2 13 ALA MB 2 15 PHE H 3.100 . 4.300 2.830 1.795 3.421 0.105 20 0 "[ . 1 . 2]" 1
290 2 13 ALA MB 2 16 GLU HG3 3.700 . 5.400 4.226 3.365 4.468 . 0 0 "[ . 1 . 2]" 1
291 2 14 LYS H 2 15 PHE H 2.400 . 3.100 1.663 1.600 1.746 0.100 20 0 "[ . 1 . 2]" 1
292 2 14 LYS HA 2 15 PHE QD 4.100 . 6.000 3.762 3.410 3.995 . 0 0 "[ . 1 . 2]" 1
293 2 14 LYS HB2 2 15 PHE HA 3.400 . 4.900 4.283 4.105 4.473 . 0 0 "[ . 1 . 2]" 1
294 2 14 LYS HD2 2 16 GLU HG2 3.700 . 5.400 4.192 3.471 4.829 . 0 0 "[ . 1 . 2]" 1
295 2 14 LYS HD3 2 15 PHE QE 3.300 . 4.600 3.302 2.298 4.256 . 0 0 "[ . 1 . 2]" 1
296 2 15 PHE QB 2 16 GLU HG3 3.800 . 5.600 4.876 4.764 4.995 . 0 0 "[ . 1 . 2]" 1
297 2 16 GLU HG2 2 19 ARG HB2 3.800 . 5.600 4.372 3.260 4.960 . 0 0 "[ . 1 . 2]" 1
298 2 16 GLU HG2 2 19 ARG QB 3.900 . 5.800 4.175 3.191 4.815 . 0 0 "[ . 1 . 2]" 1
299 2 16 GLU HG3 2 19 ARG QB 4.100 . 6.000 4.647 4.405 5.125 . 0 0 "[ . 1 . 2]" 1
300 2 16 GLU HG3 2 19 ARG QB 3.900 . 5.800 4.085 3.210 4.452 . 0 0 "[ . 1 . 2]" 1
301 2 16 GLU HG3 2 19 ARG HB2 4.000 . 6.000 4.580 3.306 5.335 . 0 0 "[ . 1 . 2]" 1
302 2 16 GLU HG3 2 19 ARG HB2 4.000 . 6.000 5.087 4.500 5.718 . 0 0 "[ . 1 . 2]" 1
303 2 16 GLU HG3 2 19 ARG H 2.400 . 6.000 5.575 4.798 6.003 0.003 11 0 "[ . 1 . 2]" 1
304 2 17 GLU H 2 21 ARG H 3.800 . 5.600 4.299 3.908 4.686 . 0 0 "[ . 1 . 2]" 1
305 2 17 GLU H 2 21 ARG HB2 3.300 . 4.600 4.065 3.634 4.488 . 0 0 "[ . 1 . 2]" 1
306 2 17 GLU HA 2 17 GLU HB3 3.500 . 5.000 2.298 2.051 2.396 . 0 0 "[ . 1 . 2]" 1
307 2 17 GLU HA 2 18 GLU H 2.400 . 3.100 2.749 2.727 2.772 . 0 0 "[ . 1 . 2]" 1
308 2 17 GLU HB3 2 17 GLU HG2 3.100 . 4.300 2.252 2.171 2.421 . 0 0 "[ . 1 . 2]" 1
309 2 18 GLU HG2 2 19 ARG HB3 3.900 . 5.800 4.842 4.095 5.140 . 0 0 "[ . 1 . 2]" 1
310 2 19 ARG H 2 19 ARG HB2 2.500 . 3.300 2.622 2.101 3.315 0.015 7 0 "[ . 1 . 2]" 1
311 2 19 ARG H 2 19 ARG HB3 2.700 . 3.600 2.432 2.079 2.916 . 0 0 "[ . 1 . 2]" 1
312 2 19 ARG H 2 21 ARG H 2.500 . 3.300 2.210 1.955 2.560 . 0 0 "[ . 1 . 2]" 1
313 2 19 ARG H 2 21 ARG HB2 3.700 . 5.400 3.520 3.393 3.729 . 0 0 "[ . 1 . 2]" 1
314 2 19 ARG HA 2 21 ARG H 2.500 . 3.300 3.054 2.963 3.234 . 0 0 "[ . 1 . 2]" 1
315 2 19 ARG HA 2 22 ALA H 2.500 . 6.000 4.210 3.760 4.778 . 0 0 "[ . 1 . 2]" 1
316 2 20 ALA HA 2 21 ARG H 2.400 . 3.100 2.712 2.671 2.742 . 0 0 "[ . 1 . 2]" 1
317 2 20 ALA HA 2 21 ARG H 2.600 . 3.400 2.582 2.552 2.610 . 0 0 "[ . 1 . 2]" 1
318 2 20 ALA HA 2 23 LYS QG 2.000 . 2.500 2.305 1.875 2.484 . 0 0 "[ . 1 . 2]" 1
319 2 23 LYS H 2 24 TRP H 2.300 . 3.000 2.115 2.010 2.283 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, June 23, 2024 8:07:51 PM GMT (wattos1)