NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386926 |
1m36   |
5464 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1m36
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 353
_Distance_constraint_stats_list.Viol_count 434
_Distance_constraint_stats_list.Viol_total 883.177
_Distance_constraint_stats_list.Viol_max 0.960
_Distance_constraint_stats_list.Viol_rms 0.0424
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.1017
_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 3 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 5.093 0.693 17 3 "[ . 1 - + *]"
1 6 LYS 4.810 0.693 17 3 "[ . 1 - + *]"
1 7 LEU 4.752 0.842 6 2 "[- .+ 1 . 2]"
1 8 TYR 0.925 0.338 18 0 "[ . 1 . 2]"
1 9 LEU 0.888 0.353 12 0 "[ . 1 . 2]"
1 10 CYS 4.385 0.360 1 0 "[ . 1 . 2]"
1 11 GLU 5.084 0.631 13 1 "[ . 1 + . 2]"
1 12 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 2.835 0.270 18 0 "[ . 1 . 2]"
1 14 LEU 1.226 0.162 2 0 "[ . 1 . 2]"
1 15 LYS 0.544 0.092 19 0 "[ . 1 . 2]"
1 16 TYR 1.446 0.126 2 0 "[ . 1 . 2]"
1 17 MET 9.101 0.960 11 5 "[- .** 1+ .* 2]"
1 18 LYS 0.893 0.282 5 0 "[ . 1 . 2]"
1 19 SER 3.172 0.960 11 2 "[ . 1+ .- 2]"
1 20 ARG 3.188 0.759 11 2 "[ . 1+ .- 2]"
1 21 THR 0.054 0.025 17 0 "[ . 1 . 2]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 2.747 0.242 10 0 "[ . 1 . 2]"
1 24 GLN 2.662 0.418 7 0 "[ . 1 . 2]"
1 25 GLN 0.148 0.045 13 0 "[ . 1 . 2]"
1 26 HIS 1.308 0.243 3 0 "[ . 1 . 2]"
1 27 MET 2.489 0.760 15 1 "[ . 1 + 2]"
1 28 LYS 2.169 0.760 15 1 "[ . 1 + 2]"
1 29 LYS 2.725 0.316 14 0 "[ . 1 . 2]"
1 30 CYS 3.402 0.195 3 0 "[ . 1 . 2]"
1 31 GLY 0.316 0.316 14 0 "[ . 1 . 2]"
1 32 TRP 2.243 0.343 17 0 "[ . 1 . 2]"
1 33 PHE 2.380 0.690 18 2 "[- . 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 3 ARG H 1 3 ARG QD 6.000 . 6.000 4.618 3.698 5.282 . 0 0 "[ . 1 . 2]" 1
2 1 3 ARG H 1 4 LEU H 6.000 . 6.000 3.476 2.106 4.532 . 0 0 "[ . 1 . 2]" 1
3 1 3 ARG HA 1 3 ARG HE 6.000 . 6.000 4.064 2.016 5.690 . 0 0 "[ . 1 . 2]" 1
4 1 3 ARG HA 1 4 LEU H 6.000 . 6.000 2.803 2.117 3.552 . 0 0 "[ . 1 . 2]" 1
5 1 3 ARG QB 1 4 LEU H 6.000 . 6.000 2.987 1.649 4.027 . 0 0 "[ . 1 . 2]" 1
6 1 3 ARG HG2 1 4 LEU H 6.000 . 6.000 4.458 2.873 5.623 . 0 0 "[ . 1 . 2]" 1
7 1 3 ARG HG3 1 4 LEU H 6.000 . 6.000 4.738 2.708 5.727 . 0 0 "[ . 1 . 2]" 1
8 1 4 LEU H 1 5 PRO HD2 4.000 . 6.000 4.913 3.967 5.425 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU H 1 5 PRO HD3 3.900 . 5.800 4.306 2.387 5.195 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU HA 1 5 PRO HD2 2.500 . 3.300 2.443 1.924 3.081 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU HA 1 5 PRO HD3 2.400 . 3.100 2.134 1.703 2.634 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU HB2 1 5 PRO HD2 6.000 . 6.000 4.371 3.668 5.354 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU HB2 1 5 PRO HD3 6.000 . 6.000 4.653 4.166 5.115 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU HG 1 5 PRO HD2 6.000 . 6.000 3.384 1.673 5.632 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU HG 1 5 PRO HD3 6.000 . 6.000 3.953 2.732 5.507 . 0 0 "[ . 1 . 2]" 1
16 1 5 PRO HA 1 5 PRO HB3 2.300 . 2.900 2.281 2.263 2.302 . 0 0 "[ . 1 . 2]" 1
17 1 5 PRO HA 1 5 PRO QG 3.200 . 4.500 3.247 2.879 3.514 . 0 0 "[ . 1 . 2]" 1
18 1 5 PRO HA 1 6 LYS H 6.000 . 6.000 2.812 2.117 3.549 . 0 0 "[ . 1 . 2]" 1
19 1 5 PRO HB2 1 5 PRO HD2 2.900 . 3.900 3.456 2.905 4.053 0.153 2 0 "[ . 1 . 2]" 1
20 1 5 PRO HB2 1 5 PRO HD3 3.100 . 4.300 3.910 3.869 4.027 . 0 0 "[ . 1 . 2]" 1
21 1 5 PRO HB2 1 6 LYS H 3.100 . 4.300 2.896 1.777 3.896 0.123 11 0 "[ . 1 . 2]" 1
22 1 5 PRO HB3 1 6 LYS H 2.700 . 3.600 3.511 2.448 4.293 0.693 17 3 "[ . 1 - + *]" 1
23 1 5 PRO HD2 1 5 PRO QG 2.200 . 2.800 2.217 2.167 2.262 . 0 0 "[ . 1 . 2]" 1
24 1 5 PRO HD2 1 6 LYS H 6.000 . 6.000 4.366 2.610 5.721 . 0 0 "[ . 1 . 2]" 1
25 1 5 PRO HD3 1 5 PRO HG3 2.100 . 2.700 2.312 2.273 2.331 . 0 0 "[ . 1 . 2]" 1
26 1 5 PRO HD3 1 6 LYS H 6.000 . 6.000 4.998 3.793 5.807 . 0 0 "[ . 1 . 2]" 1
27 1 5 PRO HG2 1 6 LYS H 3.800 . 5.600 4.122 1.828 5.673 0.172 6 0 "[ . 1 . 2]" 1
28 1 6 LYS H 1 6 LYS HA 2.500 . 3.300 2.767 2.259 2.942 . 0 0 "[ . 1 . 2]" 1
29 1 6 LYS H 1 6 LYS QD 6.000 . 6.000 4.217 2.394 5.157 . 0 0 "[ . 1 . 2]" 1
30 1 6 LYS H 1 6 LYS QE 6.000 . 6.000 5.046 3.590 5.957 . 0 0 "[ . 1 . 2]" 1
31 1 6 LYS H 1 6 LYS HG2 3.200 . 4.500 3.842 2.221 4.742 0.242 19 0 "[ . 1 . 2]" 1
32 1 6 LYS H 1 6 LYS HG3 3.300 . 4.700 3.456 2.007 4.454 . 0 0 "[ . 1 . 2]" 1
33 1 6 LYS H 1 7 LEU H 2.700 . 6.000 3.841 2.599 4.585 . 0 0 "[ . 1 . 2]" 1
34 1 6 LYS HA 1 6 LYS QB 2.500 . 3.300 2.398 2.173 2.540 . 0 0 "[ . 1 . 2]" 1
35 1 6 LYS HA 1 6 LYS QE 6.000 . 6.000 4.294 2.634 5.420 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS HA 1 6 LYS HG2 3.100 . 4.300 3.036 2.094 4.204 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS HA 1 6 LYS HG3 3.400 . 4.900 3.166 2.332 3.905 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS HA 1 7 LEU H 1.900 . 2.400 2.280 2.108 2.509 0.109 18 0 "[ . 1 . 2]" 1
39 1 6 LYS HG2 1 7 LEU H 6.000 . 6.000 4.816 3.648 5.858 . 0 0 "[ . 1 . 2]" 1
40 1 7 LEU H 1 7 LEU HB3 3.100 . 4.300 3.605 3.395 4.137 . 0 0 "[ . 1 . 2]" 1
41 1 7 LEU H 1 8 TYR H 2.800 . 6.000 4.293 3.900 4.598 . 0 0 "[ . 1 . 2]" 1
42 1 7 LEU HA 1 7 LEU HB2 2.700 . 3.600 2.973 2.878 3.015 . 0 0 "[ . 1 . 2]" 1
43 1 7 LEU HA 1 7 LEU HB3 2.900 . 3.900 2.626 2.349 2.818 . 0 0 "[ . 1 . 2]" 1
44 1 7 LEU HA 1 8 TYR H 2.300 . 3.000 2.844 2.613 3.089 0.089 13 0 "[ . 1 . 2]" 1
45 1 7 LEU HB2 1 8 TYR H 2.700 . 3.600 2.989 2.084 3.718 0.118 6 0 "[ . 1 . 2]" 1
46 1 7 LEU HB2 1 16 TYR H 3.300 . 6.000 5.388 4.812 5.909 . 0 0 "[ . 1 . 2]" 1
47 1 7 LEU HB2 1 17 MET H 3.100 . 4.300 4.191 3.117 5.142 0.842 6 2 "[- .+ 1 . 2]" 1
48 1 7 LEU HB2 1 17 MET HA 2.800 . 6.000 5.751 4.680 6.665 0.665 6 1 "[ .+ 1 . 2]" 1
49 1 7 LEU HB2 1 18 LYS QE 3.500 . 6.000 4.766 3.905 5.868 . 0 0 "[ . 1 . 2]" 1
50 1 7 LEU HB3 1 8 TYR H 3.400 . 6.000 1.670 1.280 2.274 . 0 0 "[ . 1 . 2]" 1
51 1 7 LEU HB3 1 8 TYR HB3 3.500 . 6.000 5.274 5.007 5.679 . 0 0 "[ . 1 . 2]" 1
52 1 7 LEU HG 1 8 TYR H 3.600 . 5.200 3.761 3.298 4.619 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU HG 1 16 TYR H 4.000 . 6.000 6.053 5.963 6.126 0.126 2 0 "[ . 1 . 2]" 1
54 1 7 LEU HG 1 18 LYS QE 2.900 . 3.900 2.893 1.946 3.983 0.083 11 0 "[ . 1 . 2]" 1
55 1 8 TYR H 1 8 TYR HB2 2.400 . 3.100 2.641 2.247 2.954 . 0 0 "[ . 1 . 2]" 1
56 1 8 TYR H 1 8 TYR HB3 2.600 . 6.000 3.686 3.481 3.806 . 0 0 "[ . 1 . 2]" 1
57 1 8 TYR H 1 9 LEU H 4.300 . 6.000 4.141 3.766 4.494 . 0 0 "[ . 1 . 2]" 1
58 1 8 TYR H 1 17 MET H 2.800 . 3.800 3.028 2.583 3.670 . 0 0 "[ . 1 . 2]" 1
59 1 8 TYR HA 1 8 TYR HB2 2.800 . 3.800 3.020 2.981 3.034 . 0 0 "[ . 1 . 2]" 1
60 1 8 TYR HA 1 8 TYR HB3 2.500 . 3.300 2.407 2.303 2.517 . 0 0 "[ . 1 . 2]" 1
61 1 8 TYR HA 1 9 LEU H 2.400 . 3.100 2.176 2.097 2.305 . 0 0 "[ . 1 . 2]" 1
62 1 8 TYR HA 1 9 LEU HB2 6.000 . 6.000 4.500 4.017 5.686 . 0 0 "[ . 1 . 2]" 1
63 1 8 TYR HB2 1 9 LEU H 3.400 . 4.800 4.276 3.853 4.498 . 0 0 "[ . 1 . 2]" 1
64 1 8 TYR HB2 1 17 MET H 3.100 . 4.300 3.161 2.596 3.775 . 0 0 "[ . 1 . 2]" 1
65 1 8 TYR HB2 1 23 LEU HB2 3.300 . 4.700 2.784 2.292 3.642 . 0 0 "[ . 1 . 2]" 1
66 1 8 TYR HB3 1 9 LEU H 2.900 . 6.000 3.750 3.093 4.128 . 0 0 "[ . 1 . 2]" 1
67 1 8 TYR HB3 1 17 MET HB3 3.400 . 6.000 5.262 4.457 6.338 0.338 18 0 "[ . 1 . 2]" 1
68 1 8 TYR HB3 1 20 ARG QG 3.700 . 5.400 4.020 2.715 4.925 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU H 1 9 LEU HA 2.700 . 3.600 2.876 2.826 2.936 . 0 0 "[ . 1 . 2]" 1
70 1 9 LEU H 1 9 LEU HB2 2.500 . 3.300 2.567 2.144 3.653 0.353 12 0 "[ . 1 . 2]" 1
71 1 9 LEU H 1 9 LEU HG 3.500 . 5.000 4.361 2.592 4.616 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU H 1 10 CYS H 3.900 . 5.800 4.517 4.375 4.576 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU HA 1 9 LEU HB2 2.500 . 3.300 2.508 2.313 2.720 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU HA 1 10 CYS H 2.000 . 2.500 2.164 2.107 2.301 . 0 0 "[ . 1 . 2]" 1
75 1 9 LEU HA 1 17 MET H 2.900 . 4.000 3.434 2.666 3.955 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU HB2 1 10 CYS H 3.200 . 4.500 4.160 2.521 4.520 0.020 7 0 "[ . 1 . 2]" 1
77 1 9 LEU HB3 1 10 CYS H 6.000 . 6.000 4.047 3.766 4.287 . 0 0 "[ . 1 . 2]" 1
78 1 9 LEU HG 1 10 CYS H 2.800 . 3.800 3.110 2.519 3.880 0.080 17 0 "[ . 1 . 2]" 1
79 1 9 LEU HG 1 11 GLU H 3.500 . 5.000 4.048 1.979 5.076 0.076 2 0 "[ . 1 . 2]" 1
80 1 10 CYS H 1 10 CYS QB . . 3.000 2.172 1.944 2.857 . 0 0 "[ . 1 . 2]" 1
81 1 10 CYS H 1 11 GLU H 3.000 . 4.100 3.757 2.560 4.460 0.360 1 0 "[ . 1 . 2]" 1
82 1 10 CYS H 1 15 LYS H 3.400 . 4.900 2.778 2.210 3.303 . 0 0 "[ . 1 . 2]" 1
83 1 10 CYS HA 1 11 GLU H 2.800 . 3.800 2.682 2.108 3.525 . 0 0 "[ . 1 . 2]" 1
84 1 10 CYS HA 1 14 LEU H 3.600 . 5.200 4.870 4.234 5.272 0.072 13 0 "[ . 1 . 2]" 1
85 1 10 CYS HA 1 26 HIS HD2 3.500 . 5.000 4.249 3.816 4.862 . 0 0 "[ . 1 . 2]" 1
86 1 10 CYS QB 1 11 GLU H 6.000 . 6.000 3.281 1.628 3.877 . 0 0 "[ . 1 . 2]" 1
87 1 10 CYS QB 1 12 PHE H 3.900 . 5.800 3.398 2.023 3.618 . 0 0 "[ . 1 . 2]" 1
88 1 10 CYS QB 1 13 CYS H 3.000 . 4.100 3.215 2.471 3.708 . 0 0 "[ . 1 . 2]" 1
89 1 10 CYS QB 1 14 LEU H 2.900 . 4.000 3.062 2.269 3.645 . 0 0 "[ . 1 . 2]" 1
90 1 10 CYS QB 1 15 LYS H 2.600 . 3.400 2.293 1.708 3.398 0.092 19 0 "[ . 1 . 2]" 1
91 1 10 CYS QB 1 26 HIS HD2 2.500 . 3.300 2.680 2.178 2.987 . 0 0 "[ . 1 . 2]" 1
92 1 11 GLU H 1 11 GLU HA 2.500 . 3.300 2.666 2.244 2.940 . 0 0 "[ . 1 . 2]" 1
93 1 11 GLU H 1 11 GLU HB3 3.700 . 5.400 3.727 3.216 4.146 . 0 0 "[ . 1 . 2]" 1
94 1 11 GLU H 1 11 GLU HG2 3.100 . 4.300 3.696 2.236 4.403 0.103 3 0 "[ . 1 . 2]" 1
95 1 11 GLU H 1 11 GLU HG3 3.100 . 4.300 3.353 2.354 4.482 0.182 13 0 "[ . 1 . 2]" 1
96 1 11 GLU H 1 12 PHE H 2.400 . 3.100 2.558 1.712 2.988 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLU HA 1 11 GLU HB2 2.700 . 3.600 2.947 2.238 3.025 . 0 0 "[ . 1 . 2]" 1
98 1 11 GLU HA 1 11 GLU HG2 2.500 . 3.300 2.693 2.153 3.931 0.631 13 1 "[ . 1 + . 2]" 1
99 1 11 GLU HA 1 11 GLU HG3 3.200 . 4.500 2.999 2.071 3.843 . 0 0 "[ . 1 . 2]" 1
100 1 11 GLU HA 1 12 PHE H 2.900 . 3.900 3.282 3.069 3.425 . 0 0 "[ . 1 . 2]" 1
101 1 11 GLU HB2 1 12 PHE H 3.500 . 5.000 3.655 3.321 4.394 . 0 0 "[ . 1 . 2]" 1
102 1 11 GLU HB3 1 12 PHE H 6.000 . 6.000 4.119 3.729 4.452 . 0 0 "[ . 1 . 2]" 1
103 1 11 GLU HG2 1 12 PHE H 6.000 . 6.000 5.032 3.236 5.801 . 0 0 "[ . 1 . 2]" 1
104 1 11 GLU HG3 1 12 PHE H 6.000 . 6.000 4.893 3.133 5.462 . 0 0 "[ . 1 . 2]" 1
105 1 12 PHE H 1 12 PHE HA 2.400 . 3.100 2.940 2.898 2.955 . 0 0 "[ . 1 . 2]" 1
106 1 12 PHE H 1 12 PHE HB2 2.500 . 3.300 2.649 2.494 2.847 . 0 0 "[ . 1 . 2]" 1
107 1 12 PHE H 1 12 PHE HB3 2.400 . 6.000 3.721 3.639 3.789 . 0 0 "[ . 1 . 2]" 1
108 1 12 PHE H 1 13 CYS H 2.200 . 2.800 2.167 1.992 2.460 . 0 0 "[ . 1 . 2]" 1
109 1 12 PHE H 1 14 LEU H 2.800 . 3.800 2.776 2.270 3.264 . 0 0 "[ . 1 . 2]" 1
110 1 12 PHE HA 1 12 PHE HB3 3.000 . 4.200 2.411 2.321 2.492 . 0 0 "[ . 1 . 2]" 1
111 1 12 PHE HA 1 13 CYS H 2.700 . 3.600 3.535 3.469 3.591 . 0 0 "[ . 1 . 2]" 1
112 1 12 PHE HB2 1 13 CYS H 2.500 . 3.300 2.579 2.105 2.995 . 0 0 "[ . 1 . 2]" 1
113 1 12 PHE HB2 1 14 LEU H 3.900 . 5.800 4.336 3.973 4.965 . 0 0 "[ . 1 . 2]" 1
114 1 12 PHE HB3 1 13 CYS H 2.400 . 6.000 3.745 3.429 4.151 . 0 0 "[ . 1 . 2]" 1
115 1 13 CYS H 1 13 CYS HA 2.700 . 3.600 2.942 2.925 2.950 . 0 0 "[ . 1 . 2]" 1
116 1 13 CYS H 1 13 CYS HB2 2.700 . 3.600 3.223 2.415 3.870 0.270 18 0 "[ . 1 . 2]" 1
117 1 13 CYS H 1 13 CYS HB3 3.000 . 4.100 3.347 2.463 3.709 . 0 0 "[ . 1 . 2]" 1
118 1 13 CYS H 1 14 LEU H 2.500 . 3.300 1.908 1.773 2.073 . 0 0 "[ . 1 . 2]" 1
119 1 13 CYS H 1 14 LEU HA 3.000 . 4.100 4.102 3.959 4.262 0.162 2 0 "[ . 1 . 2]" 1
120 1 13 CYS H 1 15 LYS H 3.300 . 4.700 3.874 3.537 4.592 . 0 0 "[ . 1 . 2]" 1
121 1 13 CYS HA 1 13 CYS HB2 2.600 . 3.400 2.709 2.290 3.029 . 0 0 "[ . 1 . 2]" 1
122 1 13 CYS HA 1 13 CYS HB3 2.200 . 2.800 2.460 2.324 2.672 . 0 0 "[ . 1 . 2]" 1
123 1 13 CYS HA 1 14 LEU H 3.100 . 4.300 3.348 3.224 3.474 . 0 0 "[ . 1 . 2]" 1
124 1 13 CYS HB2 1 14 LEU H 3.200 . 4.500 3.611 2.632 4.364 . 0 0 "[ . 1 . 2]" 1
125 1 13 CYS HB3 1 14 LEU H 6.000 . 6.000 4.096 3.660 4.325 . 0 0 "[ . 1 . 2]" 1
126 1 14 LEU H 1 14 LEU HA 2.000 . 2.500 2.245 2.221 2.260 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU H 1 14 LEU HB2 2.700 . 3.600 3.515 3.364 3.606 0.006 17 0 "[ . 1 . 2]" 1
128 1 14 LEU H 1 14 LEU HB3 3.100 . 4.300 4.064 3.988 4.118 . 0 0 "[ . 1 . 2]" 1
129 1 14 LEU H 1 14 LEU HG 2.700 . 3.600 2.774 2.575 3.130 . 0 0 "[ . 1 . 2]" 1
130 1 14 LEU H 1 15 LYS H 2.400 . 3.100 2.727 2.390 3.102 0.002 2 0 "[ . 1 . 2]" 1
131 1 14 LEU HA 1 14 LEU HB2 2.300 . 3.000 3.009 2.985 3.017 0.017 12 0 "[ . 1 . 2]" 1
132 1 14 LEU HA 1 14 LEU HB3 3.000 . 4.200 2.506 2.424 2.641 . 0 0 "[ . 1 . 2]" 1
133 1 14 LEU HA 1 14 LEU HG 2.700 . 3.600 2.629 2.397 2.847 . 0 0 "[ . 1 . 2]" 1
134 1 14 LEU HA 1 15 LYS H 3.100 . 4.300 2.613 2.342 2.872 . 0 0 "[ . 1 . 2]" 1
135 1 14 LEU HB3 1 14 LEU HG 2.200 . 6.000 2.958 2.877 2.986 . 0 0 "[ . 1 . 2]" 1
136 1 15 LYS H 1 15 LYS HB3 3.600 . 5.300 3.297 2.471 3.829 . 0 0 "[ . 1 . 2]" 1
137 1 15 LYS H 1 15 LYS QD 6.000 . 6.000 4.153 3.299 4.935 . 0 0 "[ . 1 . 2]" 1
138 1 15 LYS H 1 16 TYR H 3.300 . 4.600 4.438 4.176 4.530 . 0 0 "[ . 1 . 2]" 1
139 1 15 LYS HA 1 15 LYS QD 2.700 . 3.600 2.365 1.762 3.603 0.038 2 0 "[ . 1 . 2]" 1
140 1 15 LYS HA 1 16 TYR H 2.000 . 2.500 2.268 2.121 2.397 . 0 0 "[ . 1 . 2]" 1
141 1 15 LYS HA 1 16 TYR HB3 3.100 . 6.000 5.661 5.595 5.711 . 0 0 "[ . 1 . 2]" 1
142 1 15 LYS HB2 1 16 TYR H 3.200 . 4.500 4.099 3.685 4.480 . 0 0 "[ . 1 . 2]" 1
143 1 15 LYS HB3 1 16 TYR H 6.000 . 6.000 3.244 2.549 4.272 . 0 0 "[ . 1 . 2]" 1
144 1 15 LYS QD 1 16 TYR H 2.700 . 3.600 3.450 3.000 3.683 0.083 7 0 "[ . 1 . 2]" 1
145 1 15 LYS QG 1 16 TYR H 3.700 . 5.400 3.386 2.084 4.516 . 0 0 "[ . 1 . 2]" 1
146 1 16 TYR H 1 17 MET H 3.800 . 5.600 4.392 4.248 4.514 . 0 0 "[ . 1 . 2]" 1
147 1 16 TYR HA 1 16 TYR HB2 2.700 . 3.600 3.003 2.964 3.020 . 0 0 "[ . 1 . 2]" 1
148 1 16 TYR HA 1 16 TYR HB3 2.500 . 3.300 2.587 2.531 2.686 . 0 0 "[ . 1 . 2]" 1
149 1 16 TYR HA 1 17 MET H 2.500 . 3.300 2.131 2.099 2.169 . 0 0 "[ . 1 . 2]" 1
150 1 16 TYR HB2 1 17 MET H 3.200 . 4.500 4.405 4.263 4.534 0.034 8 0 "[ . 1 . 2]" 1
151 1 16 TYR HB3 1 17 MET H 3.000 . 4.100 3.526 3.233 3.803 . 0 0 "[ . 1 . 2]" 1
152 1 17 MET H 1 17 MET HA 2.600 . 3.500 2.919 2.884 2.938 . 0 0 "[ . 1 . 2]" 1
153 1 17 MET H 1 17 MET HB2 2.800 . 3.800 2.573 2.357 2.897 . 0 0 "[ . 1 . 2]" 1
154 1 17 MET H 1 17 MET HG2 2.600 . 3.400 2.544 1.958 3.997 0.597 7 1 "[ . + 1 . 2]" 1
155 1 17 MET H 1 17 MET HG3 2.900 . 3.900 3.693 2.717 3.966 0.066 18 0 "[ . 1 . 2]" 1
156 1 17 MET H 1 18 LYS H 4.000 . 6.000 4.555 4.509 4.598 . 0 0 "[ . 1 . 2]" 1
157 1 17 MET HA 1 17 MET HB2 2.300 . 2.900 3.011 2.977 3.026 0.126 7 0 "[ . 1 . 2]" 1
158 1 17 MET HA 1 17 MET HB3 2.500 . 3.300 2.435 2.298 2.537 . 0 0 "[ . 1 . 2]" 1
159 1 17 MET HA 1 17 MET HG2 3.000 . 4.100 3.149 2.431 3.611 . 0 0 "[ . 1 . 2]" 1
160 1 17 MET HA 1 17 MET HG3 3.100 . 4.300 3.703 2.378 4.004 . 0 0 "[ . 1 . 2]" 1
161 1 17 MET HA 1 18 LYS H 2.000 . 2.500 2.244 2.173 2.325 . 0 0 "[ . 1 . 2]" 1
162 1 17 MET HA 1 19 SER H 3.200 . 4.400 4.083 3.848 4.337 . 0 0 "[ . 1 . 2]" 1
163 1 17 MET HB2 1 17 MET HG2 2.800 . 3.800 2.487 2.288 2.926 . 0 0 "[ . 1 . 2]" 1
164 1 17 MET HB2 1 17 MET HG3 2.500 . 3.300 2.427 2.232 2.989 . 0 0 "[ . 1 . 2]" 1
165 1 17 MET HB2 1 18 LYS H 6.000 . 6.000 3.852 3.493 4.144 . 0 0 "[ . 1 . 2]" 1
166 1 17 MET HB2 1 23 LEU H 3.200 . 4.500 3.690 3.141 4.095 . 0 0 "[ . 1 . 2]" 1
167 1 17 MET HB3 1 18 LYS H 3.100 . 4.300 2.914 2.766 3.150 . 0 0 "[ . 1 . 2]" 1
168 1 17 MET HB3 1 19 SER H 3.200 . 4.400 2.999 2.584 3.432 . 0 0 "[ . 1 . 2]" 1
169 1 17 MET HB3 1 19 SER HB2 3.500 . 6.000 5.281 4.619 6.960 0.960 11 2 "[ . 1+ .- 2]" 1
170 1 17 MET HG2 1 18 LYS H 6.000 . 6.000 4.989 4.404 5.252 . 0 0 "[ . 1 . 2]" 1
171 1 17 MET HG3 1 18 LYS H 3.600 . 5.200 5.096 4.119 5.482 0.282 5 0 "[ . 1 . 2]" 1
172 1 17 MET HG3 1 23 LEU HB2 3.200 . 4.500 3.006 1.923 4.240 . 0 0 "[ . 1 . 2]" 1
173 1 18 LYS H 1 18 LYS HA 2.300 . 3.000 2.868 2.847 2.900 . 0 0 "[ . 1 . 2]" 1
174 1 18 LYS H 1 18 LYS QD 3.100 . 4.300 3.440 2.520 4.308 0.008 11 0 "[ . 1 . 2]" 1
175 1 18 LYS H 1 18 LYS QE 6.000 . 6.000 3.871 2.426 4.925 . 0 0 "[ . 1 . 2]" 1
176 1 18 LYS H 1 18 LYS HG2 3.400 . 4.900 3.460 1.875 4.687 0.025 3 0 "[ . 1 . 2]" 1
177 1 18 LYS H 1 18 LYS HG3 2.900 . 6.000 3.878 2.818 4.443 . 0 0 "[ . 1 . 2]" 1
178 1 18 LYS H 1 19 SER H 2.500 . 3.300 2.511 2.358 2.639 . 0 0 "[ . 1 . 2]" 1
179 1 18 LYS HA 1 18 LYS HB2 2.700 . 3.600 2.917 2.559 3.026 . 0 0 "[ . 1 . 2]" 1
180 1 18 LYS HA 1 18 LYS HB3 2.500 . 3.300 2.656 2.333 3.009 . 0 0 "[ . 1 . 2]" 1
181 1 18 LYS HA 1 18 LYS QE 6.000 . 6.000 2.959 2.258 4.473 . 0 0 "[ . 1 . 2]" 1
182 1 18 LYS HA 1 18 LYS HG2 3.100 . 4.300 3.261 2.566 3.649 . 0 0 "[ . 1 . 2]" 1
183 1 18 LYS HA 1 18 LYS HG3 3.500 . 5.000 2.985 2.115 3.937 . 0 0 "[ . 1 . 2]" 1
184 1 18 LYS HA 1 19 SER H 2.800 . 3.800 3.458 3.271 3.528 . 0 0 "[ . 1 . 2]" 1
185 1 18 LYS HB2 1 19 SER H 6.000 . 6.000 3.263 2.648 3.889 . 0 0 "[ . 1 . 2]" 1
186 1 18 LYS HB3 1 19 SER H 6.000 . 6.000 3.619 2.874 4.450 . 0 0 "[ . 1 . 2]" 1
187 1 18 LYS QD 1 19 SER H 6.000 . 6.000 4.924 4.385 5.708 . 0 0 "[ . 1 . 2]" 1
188 1 18 LYS HG2 1 19 SER H 6.000 . 6.000 4.908 4.163 5.569 . 0 0 "[ . 1 . 2]" 1
189 1 18 LYS HG3 1 19 SER H 6.000 . 6.000 5.016 4.467 5.350 . 0 0 "[ . 1 . 2]" 1
190 1 19 SER H 1 19 SER HB2 3.300 . 4.700 3.045 2.750 3.966 . 0 0 "[ . 1 . 2]" 1
191 1 19 SER H 1 19 SER HB3 3.000 . 4.100 3.771 2.830 3.950 . 0 0 "[ . 1 . 2]" 1
192 1 19 SER H 1 20 ARG H 3.900 . 5.800 4.417 4.304 4.487 . 0 0 "[ . 1 . 2]" 1
193 1 19 SER H 1 23 LEU H 3.100 . 4.300 4.147 3.903 4.362 0.062 19 0 "[ . 1 . 2]" 1
194 1 19 SER HA 1 19 SER HB2 2.600 . 3.400 2.931 2.280 3.028 . 0 0 "[ . 1 . 2]" 1
195 1 19 SER HA 1 20 ARG H 6.000 . 6.000 2.287 2.209 2.472 . 0 0 "[ . 1 . 2]" 1
196 1 19 SER HA 1 21 THR H 3.100 . 4.300 4.181 3.987 4.325 0.025 17 0 "[ . 1 . 2]" 1
197 1 19 SER HB2 1 20 ARG H 2.300 . 6.000 3.509 2.500 4.072 . 0 0 "[ . 1 . 2]" 1
198 1 19 SER HB2 1 20 ARG HA 2.900 . 6.000 5.033 4.778 5.409 . 0 0 "[ . 1 . 2]" 1
199 1 19 SER HB3 1 20 ARG H 2.500 . 3.300 2.988 2.665 4.059 0.759 11 2 "[ . 1+ .- 2]" 1
200 1 19 SER HB3 1 21 THR H 6.000 . 6.000 3.313 2.827 4.561 . 0 0 "[ . 1 . 2]" 1
201 1 20 ARG H 1 20 ARG HB2 2.500 . 3.300 2.186 2.051 2.321 . 0 0 "[ . 1 . 2]" 1
202 1 20 ARG H 1 20 ARG HB3 2.400 . 3.100 2.964 2.729 3.360 0.260 6 0 "[ . 1 . 2]" 1
203 1 20 ARG H 1 20 ARG QD 3.600 . 5.200 4.326 3.874 4.742 . 0 0 "[ . 1 . 2]" 1
204 1 20 ARG H 1 20 ARG QG 2.800 . 3.800 3.777 3.249 3.934 0.134 16 0 "[ . 1 . 2]" 1
205 1 20 ARG H 1 23 LEU H 2.400 . 6.000 4.730 4.499 4.983 . 0 0 "[ . 1 . 2]" 1
206 1 20 ARG HA 1 20 ARG HB2 2.400 . 3.100 2.695 2.596 2.921 . 0 0 "[ . 1 . 2]" 1
207 1 20 ARG HA 1 20 ARG HB3 2.500 . 3.300 2.953 2.769 3.005 . 0 0 "[ . 1 . 2]" 1
208 1 20 ARG HA 1 20 ARG HE 6.000 . 6.000 4.736 4.008 5.288 . 0 0 "[ . 1 . 2]" 1
209 1 20 ARG HA 1 20 ARG QG 2.600 . 3.500 2.197 2.074 2.334 . 0 0 "[ . 1 . 2]" 1
210 1 20 ARG HA 1 23 LEU H 6.000 . 6.000 3.249 2.823 3.673 . 0 0 "[ . 1 . 2]" 1
211 1 20 ARG HA 1 23 LEU HB2 2.900 . 4.000 3.067 2.219 3.796 . 0 0 "[ . 1 . 2]" 1
212 1 20 ARG HA 1 23 LEU HB3 6.000 . 6.000 2.859 2.052 3.583 . 0 0 "[ . 1 . 2]" 1
213 1 20 ARG HA 1 24 GLN H 3.200 . 4.500 3.998 3.521 4.387 . 0 0 "[ . 1 . 2]" 1
214 1 20 ARG HB2 1 20 ARG QD 3.000 . 4.100 2.404 1.985 3.081 . 0 0 "[ . 1 . 2]" 1
215 1 20 ARG HB2 1 23 LEU H 6.000 . 6.000 5.616 5.330 5.993 . 0 0 "[ . 1 . 2]" 1
216 1 20 ARG HB3 1 20 ARG QD 2.900 . 4.000 2.660 1.988 3.158 . 0 0 "[ . 1 . 2]" 1
217 1 20 ARG HB3 1 21 THR H 6.000 . 6.000 2.797 2.506 3.297 . 0 0 "[ . 1 . 2]" 1
218 1 20 ARG QD 1 20 ARG HG2 2.100 . 2.600 2.157 1.963 2.374 . 0 0 "[ . 1 . 2]" 1
219 1 20 ARG QD 1 21 THR H 6.000 . 6.000 5.068 4.304 5.442 . 0 0 "[ . 1 . 2]" 1
220 1 20 ARG HE 1 20 ARG QG 3.800 . 5.600 2.622 2.145 3.272 . 0 0 "[ . 1 . 2]" 1
221 1 20 ARG QG 1 21 THR H 6.000 . 6.000 4.234 3.998 4.458 . 0 0 "[ . 1 . 2]" 1
222 1 20 ARG HG2 1 24 GLN HG2 3.900 . 5.800 3.934 3.024 5.403 . 0 0 "[ . 1 . 2]" 1
223 1 20 ARG HG2 1 24 GLN HG3 3.700 . 5.400 4.265 2.778 5.818 0.418 7 0 "[ . 1 . 2]" 1
224 1 21 THR HA 1 24 GLN H 6.000 . 6.000 3.472 2.970 3.755 . 0 0 "[ . 1 . 2]" 1
225 1 21 THR HB 1 22 ILE H 2.800 . 6.000 3.339 2.944 4.049 . 0 0 "[ . 1 . 2]" 1
226 1 21 THR HB 1 24 GLN H 6.000 . 6.000 5.480 5.219 5.896 . 0 0 "[ . 1 . 2]" 1
227 1 22 ILE H 1 22 ILE HA 2.400 . 3.100 2.841 2.799 2.882 . 0 0 "[ . 1 . 2]" 1
228 1 22 ILE H 1 22 ILE HB 2.400 . 3.100 2.297 2.185 2.424 . 0 0 "[ . 1 . 2]" 1
229 1 22 ILE H 1 23 LEU H 6.000 . 6.000 2.555 2.361 2.809 . 0 0 "[ . 1 . 2]" 1
230 1 22 ILE H 1 23 LEU HA 3.200 . 6.000 5.181 5.024 5.368 . 0 0 "[ . 1 . 2]" 1
231 1 22 ILE H 1 23 LEU HB2 6.000 . 6.000 4.696 4.235 5.157 . 0 0 "[ . 1 . 2]" 1
232 1 22 ILE H 1 24 GLN H 3.800 . 5.600 3.966 3.702 4.253 . 0 0 "[ . 1 . 2]" 1
233 1 22 ILE HA 1 22 ILE HB 2.700 . 3.600 3.003 2.962 3.022 . 0 0 "[ . 1 . 2]" 1
234 1 22 ILE HA 1 22 ILE HG12 2.500 . 3.300 2.637 2.428 3.188 . 0 0 "[ . 1 . 2]" 1
235 1 22 ILE HA 1 23 LEU H 6.000 . 6.000 3.541 3.517 3.575 . 0 0 "[ . 1 . 2]" 1
236 1 22 ILE HA 1 25 GLN H 2.900 . 3.900 3.550 3.181 3.874 . 0 0 "[ . 1 . 2]" 1
237 1 23 LEU H 1 23 LEU HA 2.200 . 2.800 2.815 2.789 2.853 0.053 11 0 "[ . 1 . 2]" 1
238 1 23 LEU H 1 23 LEU HB3 2.200 . 2.800 2.716 2.331 2.911 0.111 10 0 "[ . 1 . 2]" 1
239 1 23 LEU H 1 24 GLN H 2.400 . 3.100 2.649 2.469 2.754 . 0 0 "[ . 1 . 2]" 1
240 1 23 LEU H 1 24 GLN HB3 3.400 . 6.000 5.973 5.357 6.242 0.242 10 0 "[ . 1 . 2]" 1
241 1 23 LEU HA 1 23 LEU HB2 2.500 . 3.300 2.570 2.370 2.676 . 0 0 "[ . 1 . 2]" 1
242 1 23 LEU HA 1 23 LEU HG 2.900 . 4.000 3.186 2.953 3.458 . 0 0 "[ . 1 . 2]" 1
243 1 23 LEU HA 1 24 GLN H 3.100 . 4.300 3.526 3.497 3.582 . 0 0 "[ . 1 . 2]" 1
244 1 23 LEU HA 1 26 HIS H 2.800 . 3.700 3.340 3.031 3.705 0.005 5 0 "[ . 1 . 2]" 1
245 1 23 LEU HA 1 26 HIS HB3 2.700 . 3.600 2.311 1.944 2.705 . 0 0 "[ . 1 . 2]" 1
246 1 23 LEU HA 1 26 HIS HD2 3.600 . 5.200 4.492 3.538 4.813 . 0 0 "[ . 1 . 2]" 1
247 1 23 LEU HB2 1 24 GLN H 3.300 . 4.600 3.698 3.430 4.047 . 0 0 "[ . 1 . 2]" 1
248 1 24 GLN H 1 24 GLN HB2 2.100 . 6.000 2.289 2.051 3.619 . 0 0 "[ . 1 . 2]" 1
249 1 24 GLN H 1 24 GLN HB3 2.200 . 6.000 3.426 2.709 3.593 . 0 0 "[ . 1 . 2]" 1
250 1 24 GLN H 1 24 GLN HG2 3.000 . 4.100 3.176 2.420 4.493 0.393 8 0 "[ . 1 . 2]" 1
251 1 24 GLN H 1 24 GLN HG3 2.400 . 6.000 3.653 2.078 4.221 . 0 0 "[ . 1 . 2]" 1
252 1 24 GLN H 1 25 GLN H 2.300 . 3.000 2.708 2.560 2.826 . 0 0 "[ . 1 . 2]" 1
253 1 24 GLN H 1 26 HIS H 2.800 . 6.000 3.943 3.706 4.106 . 0 0 "[ . 1 . 2]" 1
254 1 24 GLN HA 1 24 GLN HE21 6.000 . 6.000 3.659 2.200 5.023 . 0 0 "[ . 1 . 2]" 1
255 1 24 GLN HA 1 24 GLN HE22 6.000 . 6.000 4.264 3.021 5.889 . 0 0 "[ . 1 . 2]" 1
256 1 24 GLN HA 1 25 GLN H 6.000 . 6.000 3.533 3.450 3.581 . 0 0 "[ . 1 . 2]" 1
257 1 24 GLN HB2 1 25 GLN H 6.000 . 6.000 2.898 2.383 3.936 . 0 0 "[ . 1 . 2]" 1
258 1 24 GLN HB3 1 25 GLN H 6.000 . 6.000 3.287 2.736 4.194 . 0 0 "[ . 1 . 2]" 1
259 1 24 GLN HE21 1 24 GLN HG2 2.800 . 3.800 2.506 2.113 3.551 . 0 0 "[ . 1 . 2]" 1
260 1 24 GLN HG2 1 25 GLN H 6.000 . 6.000 4.751 4.080 5.135 . 0 0 "[ . 1 . 2]" 1
261 1 24 GLN HG3 1 25 GLN H 6.000 . 6.000 4.859 2.365 5.447 . 0 0 "[ . 1 . 2]" 1
262 1 25 GLN H 1 25 GLN HA 2.600 . 3.500 2.863 2.813 2.915 . 0 0 "[ . 1 . 2]" 1
263 1 25 GLN H 1 25 GLN HG2 2.900 . 4.000 3.296 2.009 4.034 0.034 1 0 "[ . 1 . 2]" 1
264 1 25 GLN H 1 25 GLN HG3 3.000 . 4.100 3.042 1.979 4.095 . 0 0 "[ . 1 . 2]" 1
265 1 25 GLN H 1 26 HIS H 2.300 . 2.900 2.460 2.215 2.619 . 0 0 "[ . 1 . 2]" 1
266 1 25 GLN H 1 26 HIS HB2 4.200 . 6.000 4.911 4.549 5.123 . 0 0 "[ . 1 . 2]" 1
267 1 25 GLN HA 1 26 HIS H 6.000 . 6.000 3.493 3.407 3.533 . 0 0 "[ . 1 . 2]" 1
268 1 25 GLN HB2 1 26 HIS H 6.000 . 6.000 3.151 2.459 4.227 . 0 0 "[ . 1 . 2]" 1
269 1 25 GLN HB3 1 26 HIS H 6.000 . 6.000 3.727 3.199 4.101 . 0 0 "[ . 1 . 2]" 1
270 1 25 GLN HG2 1 26 HIS H 3.800 . 5.600 4.219 2.195 5.318 . 0 0 "[ . 1 . 2]" 1
271 1 25 GLN HG3 1 26 HIS H 3.400 . 4.800 4.123 1.992 4.845 0.045 13 0 "[ . 1 . 2]" 1
272 1 26 HIS HA 1 26 HIS HB2 2.300 . 3.000 2.421 2.352 2.486 . 0 0 "[ . 1 . 2]" 1
273 1 26 HIS HA 1 26 HIS HE1 6.000 . 6.000 5.204 5.048 5.423 . 0 0 "[ . 1 . 2]" 1
274 1 26 HIS HA 1 27 MET H 6.000 . 6.000 3.550 3.510 3.580 . 0 0 "[ . 1 . 2]" 1
275 1 26 HIS HB2 1 27 MET H 6.000 . 6.000 3.896 3.769 4.098 . 0 0 "[ . 1 . 2]" 1
276 1 26 HIS HB3 1 26 HIS HD2 2.500 . 3.300 2.853 2.758 2.915 . 0 0 "[ . 1 . 2]" 1
277 1 26 HIS HB3 1 27 MET H 6.000 . 6.000 2.548 2.317 2.819 . 0 0 "[ . 1 . 2]" 1
278 1 26 HIS HD2 1 27 MET H 6.000 . 6.000 3.418 2.999 3.815 . 0 0 "[ . 1 . 2]" 1
279 1 26 HIS HD2 1 27 MET HA 2.800 . 3.700 2.829 2.426 3.492 . 0 0 "[ . 1 . 2]" 1
280 1 26 HIS HD2 1 27 MET HG2 2.700 . 3.600 3.267 2.390 3.843 0.243 3 0 "[ . 1 . 2]" 1
281 1 26 HIS HD2 1 27 MET HG3 2.800 . 3.800 3.318 2.501 3.836 0.036 19 0 "[ . 1 . 2]" 1
282 1 26 HIS HD2 1 30 CYS HB2 2.900 . 4.000 2.782 2.383 3.334 . 0 0 "[ . 1 . 2]" 1
283 1 26 HIS HD2 1 30 CYS HB3 2.900 . 4.000 3.712 3.013 4.076 0.076 19 0 "[ . 1 . 2]" 1
284 1 26 HIS HE1 1 30 CYS H 4.000 . 6.000 5.936 5.266 6.142 0.142 14 0 "[ . 1 . 2]" 1
285 1 26 HIS HE1 1 30 CYS HB2 3.300 . 6.000 4.498 3.867 4.809 . 0 0 "[ . 1 . 2]" 1
286 1 27 MET H 1 27 MET HB3 2.700 . 3.600 3.520 3.484 3.666 0.066 15 0 "[ . 1 . 2]" 1
287 1 27 MET H 1 27 MET HG2 2.400 . 6.000 3.685 3.105 3.935 . 0 0 "[ . 1 . 2]" 1
288 1 27 MET H 1 27 MET HG3 2.800 . 3.800 2.849 2.291 3.215 . 0 0 "[ . 1 . 2]" 1
289 1 27 MET H 1 28 LYS H 6.000 . 6.000 2.931 2.602 4.535 . 0 0 "[ . 1 . 2]" 1
290 1 27 MET H 1 28 LYS QB 3.300 . 6.000 4.571 4.306 5.244 . 0 0 "[ . 1 . 2]" 1
291 1 27 MET H 1 28 LYS QD 3.000 . 4.100 4.129 3.974 4.169 0.069 8 0 "[ . 1 . 2]" 1
292 1 27 MET HA 1 27 MET HG2 2.600 . 3.500 2.279 2.087 2.607 . 0 0 "[ . 1 . 2]" 1
293 1 27 MET HA 1 27 MET HG3 2.800 . 3.800 3.003 2.753 3.416 . 0 0 "[ . 1 . 2]" 1
294 1 27 MET HA 1 28 LYS H 3.300 . 4.700 3.245 1.968 3.459 . 0 0 "[ . 1 . 2]" 1
295 1 27 MET HB2 1 27 MET HG2 2.500 . 3.300 2.981 2.877 3.013 . 0 0 "[ . 1 . 2]" 1
296 1 27 MET HB2 1 27 MET HG3 2.800 . 3.800 2.347 2.213 2.486 . 0 0 "[ . 1 . 2]" 1
297 1 27 MET HB2 1 28 LYS H 2.600 . 3.400 3.355 3.099 4.160 0.760 15 1 "[ . 1 + 2]" 1
298 1 27 MET HB3 1 27 MET HG2 2.900 . 3.900 2.560 2.399 2.790 . 0 0 "[ . 1 . 2]" 1
299 1 27 MET HB3 1 28 LYS H 2.900 . 3.900 3.588 1.996 3.933 0.033 17 0 "[ . 1 . 2]" 1
300 1 27 MET HG2 1 28 LYS H 6.000 . 6.000 4.930 3.450 5.242 . 0 0 "[ . 1 . 2]" 1
301 1 27 MET HG3 1 28 LYS H 6.000 . 6.000 4.942 4.418 5.239 . 0 0 "[ . 1 . 2]" 1
302 1 28 LYS H 1 28 LYS HA 2.500 . 3.300 2.810 2.271 2.942 . 0 0 "[ . 1 . 2]" 1
303 1 28 LYS H 1 28 LYS QD 6.000 . 6.000 2.602 2.368 2.956 . 0 0 "[ . 1 . 2]" 1
304 1 28 LYS H 1 28 LYS QE 6.000 . 6.000 4.328 3.568 4.933 . 0 0 "[ . 1 . 2]" 1
305 1 28 LYS H 1 30 CYS HB2 3.700 . 5.400 4.870 3.961 5.401 0.001 19 0 "[ . 1 . 2]" 1
306 1 28 LYS HA 1 28 LYS QB 2.100 . 2.600 2.465 2.162 2.530 . 0 0 "[ . 1 . 2]" 1
307 1 28 LYS HA 1 28 LYS QD 2.500 . 3.300 2.698 2.125 3.449 0.149 15 0 "[ . 1 . 2]" 1
308 1 28 LYS HA 1 28 LYS QE 3.400 . 4.900 3.484 2.301 4.834 . 0 0 "[ . 1 . 2]" 1
309 1 28 LYS HA 1 28 LYS QG 2.600 . 3.500 2.479 2.111 3.465 . 0 0 "[ . 1 . 2]" 1
310 1 28 LYS HA 1 29 LYS H 6.000 . 6.000 3.451 3.097 3.567 . 0 0 "[ . 1 . 2]" 1
311 1 28 LYS QB 1 29 LYS H 6.000 . 6.000 2.916 2.410 3.736 . 0 0 "[ . 1 . 2]" 1
312 1 28 LYS QD 1 29 LYS H 6.000 . 6.000 4.245 2.092 4.657 . 0 0 "[ . 1 . 2]" 1
313 1 28 LYS QD 1 30 CYS H 2.800 . 6.000 5.515 3.631 6.019 0.019 1 0 "[ . 1 . 2]" 1
314 1 28 LYS QE 1 29 LYS H 6.000 . 6.000 5.678 3.887 6.083 0.083 5 0 "[ . 1 . 2]" 1
315 1 28 LYS QG 1 29 LYS H 6.000 . 6.000 4.478 3.660 4.876 . 0 0 "[ . 1 . 2]" 1
316 1 29 LYS H 1 29 LYS HA 2.700 . 3.600 2.901 2.817 2.946 . 0 0 "[ . 1 . 2]" 1
317 1 29 LYS H 1 29 LYS QD 6.000 . 6.000 3.860 2.512 4.683 . 0 0 "[ . 1 . 2]" 1
318 1 29 LYS H 1 29 LYS QE 6.000 . 6.000 5.200 4.050 6.029 0.029 18 0 "[ . 1 . 2]" 1
319 1 29 LYS H 1 29 LYS QG 3.100 . 6.000 3.427 1.434 4.146 0.066 17 0 "[ . 1 . 2]" 1
320 1 29 LYS H 1 30 CYS H 2.400 . 3.100 2.194 1.588 2.629 0.112 14 0 "[ . 1 . 2]" 1
321 1 29 LYS H 1 31 GLY H 3.500 . 5.100 3.954 3.297 5.416 0.316 14 0 "[ . 1 . 2]" 1
322 1 29 LYS HA 1 29 LYS QD 3.000 . 4.100 3.904 3.231 4.178 0.078 20 0 "[ . 1 . 2]" 1
323 1 29 LYS HA 1 29 LYS QE 6.000 . 6.000 4.783 3.934 5.683 . 0 0 "[ . 1 . 2]" 1
324 1 29 LYS HA 1 29 LYS QG 3.800 . 4.000 2.697 2.108 3.365 . 0 0 "[ . 1 . 2]" 1
325 1 29 LYS HA 1 30 CYS H 2.600 . 3.400 3.468 3.263 3.522 0.122 1 0 "[ . 1 . 2]" 1
326 1 29 LYS HA 1 32 TRP HD1 3.300 . 4.600 2.823 1.975 4.212 0.025 11 0 "[ . 1 . 2]" 1
327 1 29 LYS HA 1 32 TRP HE1 4.000 . 6.000 4.231 2.599 6.109 0.109 17 0 "[ . 1 . 2]" 1
328 1 29 LYS QD 1 30 CYS H 2.900 . 4.000 3.543 2.575 4.046 0.046 12 0 "[ . 1 . 2]" 1
329 1 29 LYS QG 1 32 TRP H 6.000 . 6.000 5.337 4.173 5.843 . 0 0 "[ . 1 . 2]" 1
330 1 30 CYS H 1 30 CYS HB3 2.300 . 3.000 2.913 2.217 3.195 0.195 3 0 "[ . 1 . 2]" 1
331 1 30 CYS H 1 31 GLY H 6.000 . 6.000 2.760 2.472 4.112 . 0 0 "[ . 1 . 2]" 1
332 1 30 CYS HA 1 31 GLY H 2.300 . 6.000 3.320 2.050 3.566 . 0 0 "[ . 1 . 2]" 1
333 1 30 CYS HB3 1 31 GLY H 3.300 . 4.600 3.089 2.191 4.459 . 0 0 "[ . 1 . 2]" 1
334 1 31 GLY H 1 31 GLY HA2 2.300 . 3.000 2.865 2.472 2.948 . 0 0 "[ . 1 . 2]" 1
335 1 31 GLY H 1 31 GLY HA3 2.300 . 3.000 2.409 2.301 2.808 . 0 0 "[ . 1 . 2]" 1
336 1 31 GLY H 1 32 TRP H 6.000 . 6.000 2.942 2.127 3.962 . 0 0 "[ . 1 . 2]" 1
337 1 31 GLY H 1 32 TRP HD1 4.200 . 6.000 4.880 3.592 5.922 . 0 0 "[ . 1 . 2]" 1
338 1 31 GLY HA2 1 32 TRP H 3.400 . 4.800 2.919 2.235 3.530 . 0 0 "[ . 1 . 2]" 1
339 1 31 GLY HA3 1 32 TRP H 3.100 . 4.300 3.379 2.712 3.582 . 0 0 "[ . 1 . 2]" 1
340 1 32 TRP H 1 32 TRP HA 2.600 . 3.400 2.900 2.795 2.945 . 0 0 "[ . 1 . 2]" 1
341 1 32 TRP H 1 32 TRP HD1 3.100 . 4.300 3.866 3.487 4.464 0.164 17 0 "[ . 1 . 2]" 1
342 1 32 TRP H 1 32 TRP HE3 2.900 . 6.000 5.222 4.487 5.681 . 0 0 "[ . 1 . 2]" 1
343 1 32 TRP H 1 33 PHE H 3.000 . 4.100 2.901 1.885 4.194 0.094 12 0 "[ . 1 . 2]" 1
344 1 32 TRP HA 1 32 TRP HB3 2.500 . 3.300 2.747 2.472 3.009 . 0 0 "[ . 1 . 2]" 1
345 1 32 TRP HA 1 32 TRP HZ2 6.000 . 6.000 6.070 5.857 6.343 0.343 17 0 "[ . 1 . 2]" 1
346 1 32 TRP HA 1 33 PHE H 6.000 . 6.000 3.171 2.369 3.565 . 0 0 "[ . 1 . 2]" 1
347 1 32 TRP HB2 1 33 PHE H 6.000 . 6.000 3.493 2.043 4.625 . 0 0 "[ . 1 . 2]" 1
348 1 32 TRP HB3 1 32 TRP HE3 2.600 . 6.000 2.832 2.411 4.179 . 0 0 "[ . 1 . 2]" 1
349 1 32 TRP HB3 1 33 PHE H 6.000 . 6.000 3.270 1.573 4.321 . 0 0 "[ . 1 . 2]" 1
350 1 33 PHE H 1 33 PHE HA 2.600 . 3.400 2.870 2.266 2.946 . 0 0 "[ . 1 . 2]" 1
351 1 33 PHE H 1 33 PHE HB2 2.500 . 3.300 3.074 2.175 3.990 0.690 18 2 "[- . 1 . + 2]" 1
352 1 33 PHE HA 1 33 PHE HB2 2.700 . 3.600 2.780 2.318 3.026 . 0 0 "[ . 1 . 2]" 1
353 1 33 PHE HA 1 33 PHE HB3 2.400 . 3.100 2.667 2.266 2.993 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 5:33:53 PM GMT (wattos1)