NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407165 |
1y2p   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y2p
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 379
_Distance_constraint_stats_list.Viol_count 1729
_Distance_constraint_stats_list.Viol_total 4849.652
_Distance_constraint_stats_list.Viol_max 1.979
_Distance_constraint_stats_list.Viol_rms 0.1411
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0320
_Distance_constraint_stats_list.Viol_average_violations_only 0.1402
_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 ALA 0.161 0.073 10 0 "[ . 1 . 2]"
1 2 SER 1.729 0.258 11 0 "[ . 1 . 2]"
1 3 CYS 7.246 0.288 13 0 "[ . 1 . 2]"
1 4 ARG 11.468 0.288 13 0 "[ . 1 . 2]"
1 5 THR 80.306 1.979 11 20 [**********+********-]
1 6 PRO 76.955 1.979 11 20 [**********+*-*******]
1 7 LYS 5.938 0.199 3 0 "[ . 1 . 2]"
1 8 ASP 2.888 0.342 19 0 "[ . 1 . 2]"
1 9 CYS 9.277 0.299 1 0 "[ . 1 . 2]"
1 10 ALA 14.458 0.584 17 6 "[ * . *1 * * + -]"
1 11 ASP 4.086 0.170 13 0 "[ . 1 . 2]"
1 12 PRO 8.812 0.268 11 0 "[ . 1 . 2]"
1 13 CYS 19.729 0.299 1 0 "[ . 1 . 2]"
1 14 ARG 18.918 0.584 17 6 "[ * . *1 * * + -]"
1 15 LYS 4.619 0.268 11 0 "[ . 1 . 2]"
1 16 GLU 7.488 0.492 1 0 "[ . 1 . 2]"
1 17 THR 7.349 0.232 5 0 "[ . 1 . 2]"
1 18 GLY 0.702 0.085 10 0 "[ . 1 . 2]"
1 19 CYS 3.534 0.196 11 0 "[ . 1 . 2]"
1 20 PRO 0.861 0.102 1 0 "[ . 1 . 2]"
1 21 TYR 8.193 0.298 10 0 "[ . 1 . 2]"
1 22 GLY 5.759 0.158 2 0 "[ . 1 . 2]"
1 23 LYS 5.886 0.177 20 0 "[ . 1 . 2]"
1 24 CYS 7.805 0.881 15 2 "[ . 1 - + 2]"
1 25 MET 30.228 0.578 15 8 "[ * **1 +*-**2]"
1 26 ASN 7.950 0.208 19 0 "[ . 1 . 2]"
1 27 ARG 2.024 0.129 16 0 "[ . 1 . 2]"
1 28 LYS 28.650 0.578 15 8 "[ * **1 +*-**2]"
1 29 CYS 11.780 0.388 10 0 "[ . 1 . 2]"
1 30 LYS 15.436 0.449 14 0 "[ . 1 . 2]"
1 31 CYS 11.193 0.458 6 0 "[ . 1 . 2]"
1 32 ASN 2.942 0.349 12 0 "[ . 1 . 2]"
1 33 ARG 1.834 0.238 19 0 "[ . 1 . 2]"
1 34 CYS 0.699 0.186 16 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 ALA HA 1 2 SER H 2.400 . 2.400 2.217 2.124 2.473 0.073 10 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 11 ASP QB 7.900 . 7.900 6.239 5.676 6.647 . 0 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 16 GLU HB2 7.000 . 7.000 5.037 3.336 6.243 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA MB 1 16 GLU QB 6.500 . 6.500 4.735 3.205 5.792 . 0 0 "[ . 1 . 2]" 1
5 1 1 ALA MB 1 16 GLU HB3 7.000 . 7.000 5.794 4.144 7.027 0.027 7 0 "[ . 1 . 2]" 1
6 1 2 SER H 1 2 SER HA 2.900 . 2.900 2.909 2.838 2.943 0.043 19 0 "[ . 1 . 2]" 1
7 1 2 SER H 1 2 SER QB 3.500 . 3.500 2.557 2.236 2.803 . 0 0 "[ . 1 . 2]" 1
8 1 2 SER H 1 3 CYS H 4.300 . 4.300 4.276 3.761 4.558 0.258 11 0 "[ . 1 . 2]" 1
9 1 2 SER HA 1 3 CYS H 2.700 . 2.700 2.300 2.109 2.739 0.039 13 0 "[ . 1 . 2]" 1
10 1 2 SER QB 1 3 CYS H 3.900 . 3.900 3.404 2.647 3.956 0.056 20 0 "[ . 1 . 2]" 1
11 1 3 CYS CB 1 24 CYS SG 3.100 . 3.100 3.046 3.019 3.084 . 0 0 "[ . 1 . 2]" 1
12 1 3 CYS H 1 3 CYS HA 2.900 . 2.900 2.899 2.820 2.940 0.040 2 0 "[ . 1 . 2]" 1
13 1 3 CYS H 1 3 CYS HB2 3.600 . 3.600 3.467 2.728 3.864 0.264 5 0 "[ . 1 . 2]" 1
14 1 3 CYS H 1 3 CYS HB3 3.600 . 3.600 2.849 2.334 3.520 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS H 1 4 ARG H 4.700 . 4.700 4.419 4.175 4.565 . 0 0 "[ . 1 . 2]" 1
16 1 3 CYS HA 1 4 ARG H 2.800 . 2.800 2.218 2.028 2.477 . 0 0 "[ . 1 . 2]" 1
17 1 3 CYS HA 1 5 THR H 4.200 . 4.200 3.670 3.326 4.062 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS QB 1 8 ASP H 6.300 . 6.300 4.573 3.511 5.304 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS QB 1 24 CYS QB 6.200 . 6.200 3.201 2.356 3.985 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS HB2 1 4 ARG H 3.600 . 3.600 3.044 2.394 3.666 0.066 4 0 "[ . 1 . 2]" 1
21 1 3 CYS HB2 1 5 THR H 4.300 . 4.300 3.408 2.393 4.315 0.015 3 0 "[ . 1 . 2]" 1
22 1 3 CYS HB3 1 4 ARG H 3.600 . 3.600 3.750 3.610 3.888 0.288 13 0 "[ . 1 . 2]" 1
23 1 3 CYS HB3 1 5 THR H 4.300 . 4.300 4.339 4.074 4.500 0.200 7 0 "[ . 1 . 2]" 1
24 1 3 CYS SG 1 24 CYS CB 3.100 . 3.100 3.023 2.985 3.069 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS SG 1 24 CYS SG 2.100 . 2.100 2.024 2.019 2.031 . 0 0 "[ . 1 . 2]" 1
26 1 4 ARG H 1 4 ARG HA 2.900 . 2.900 2.931 2.907 2.945 0.045 16 0 "[ . 1 . 2]" 1
27 1 4 ARG H 1 4 ARG HB2 3.300 . 3.300 2.575 2.253 2.942 . 0 0 "[ . 1 . 2]" 1
28 1 4 ARG H 1 4 ARG HB3 3.300 . 3.300 3.121 2.590 3.582 0.282 3 0 "[ . 1 . 2]" 1
29 1 4 ARG H 1 4 ARG NE 6.000 . 6.000 5.049 3.643 5.882 . 0 0 "[ . 1 . 2]" 1
30 1 4 ARG H 1 5 THR H 3.500 . 3.500 1.782 1.597 2.042 0.203 16 0 "[ . 1 . 2]" 1
31 1 4 ARG H 1 5 THR HG1 7.000 . 7.000 3.718 2.873 4.388 . 0 0 "[ . 1 . 2]" 1
32 1 4 ARG HA 1 4 ARG NE 6.000 . 6.000 4.428 2.666 4.952 . 0 0 "[ . 1 . 2]" 1
33 1 4 ARG HA 1 5 THR H 3.300 . 3.300 3.420 3.356 3.468 0.168 8 0 "[ . 1 . 2]" 1
34 1 4 ARG HA 1 27 ARG NE 5.000 . 5.000 4.869 3.126 5.129 0.129 16 0 "[ . 1 . 2]" 1
35 1 4 ARG QB 1 5 THR HG1 7.900 . 7.900 2.694 2.295 3.435 . 0 0 "[ . 1 . 2]" 1
36 1 4 ARG HB2 1 5 THR H 3.600 . 3.600 3.366 2.548 3.878 0.278 18 0 "[ . 1 . 2]" 1
37 1 4 ARG HB3 1 5 THR H 3.600 . 3.600 3.174 2.619 3.696 0.096 13 0 "[ . 1 . 2]" 1
38 1 4 ARG QG 1 5 THR H 6.600 . 6.600 4.303 3.921 4.713 . 0 0 "[ . 1 . 2]" 1
39 1 5 THR H 1 5 THR HA 2.800 . 2.800 2.880 2.804 2.924 0.124 6 0 "[ . 1 . 2]" 1
40 1 5 THR H 1 5 THR HB 3.800 . 3.800 3.805 3.683 3.870 0.070 4 0 "[ . 1 . 2]" 1
41 1 5 THR H 1 8 ASP H 3.400 . 3.400 3.433 3.227 3.565 0.165 19 0 "[ . 1 . 2]" 1
42 1 5 THR HA 1 6 PRO HA 2.800 . 2.800 4.446 4.394 4.531 1.731 19 20 [******************+-] 1
43 1 5 THR HB 1 6 PRO HA 2.900 . 2.900 4.774 4.570 4.879 1.979 11 20 [**********+*******-*] 1
44 1 5 THR HB 1 7 LYS H 3.000 . 3.000 2.815 2.265 3.063 0.063 14 0 "[ . 1 . 2]" 1
45 1 5 THR HG1 1 6 PRO HA 7.000 . 7.000 5.165 4.780 5.364 . 0 0 "[ . 1 . 2]" 1
46 1 5 THR HG1 1 7 LYS H 7.000 . 7.000 3.891 3.437 4.225 . 0 0 "[ . 1 . 2]" 1
47 1 5 THR HG1 1 8 ASP H 7.000 . 7.000 3.347 2.386 3.936 . 0 0 "[ . 1 . 2]" 1
48 1 6 PRO HA 1 7 LYS H 3.400 . 3.400 3.548 3.485 3.578 0.178 14 0 "[ . 1 . 2]" 1
49 1 6 PRO HA 1 8 ASP H 3.900 . 3.900 3.875 3.732 4.242 0.342 19 0 "[ . 1 . 2]" 1
50 1 6 PRO HA 1 24 CYS H 3.400 . 3.400 2.977 1.665 4.281 0.881 15 2 "[ . 1 - + 2]" 1
51 1 6 PRO HB2 1 7 LYS H 4.100 . 4.100 2.615 2.167 3.333 . 0 0 "[ . 1 . 2]" 1
52 1 6 PRO HB3 1 7 LYS H 4.100 . 4.100 3.876 3.630 4.138 0.038 15 0 "[ . 1 . 2]" 1
53 1 7 LYS H 1 7 LYS HA 2.700 . 2.700 2.813 2.765 2.866 0.166 7 0 "[ . 1 . 2]" 1
54 1 7 LYS H 1 7 LYS QB 3.300 . 3.300 2.289 2.164 2.478 . 0 0 "[ . 1 . 2]" 1
55 1 7 LYS H 1 7 LYS QD 5.600 . 5.600 4.091 2.200 4.678 . 0 0 "[ . 1 . 2]" 1
56 1 7 LYS H 1 7 LYS QE 5.800 . 5.800 4.761 3.770 5.999 0.199 3 0 "[ . 1 . 2]" 1
57 1 7 LYS H 1 8 ASP H 3.400 . 3.400 2.620 2.537 2.749 . 0 0 "[ . 1 . 2]" 1
58 1 7 LYS HA 1 7 LYS NZ 6.000 . 6.000 5.259 4.035 6.076 0.076 16 0 "[ . 1 . 2]" 1
59 1 7 LYS HA 1 8 ASP H 3.600 . 3.600 3.407 3.245 3.515 . 0 0 "[ . 1 . 2]" 1
60 1 7 LYS HA 1 10 ALA H 3.800 . 3.800 3.366 3.038 3.716 . 0 0 "[ . 1 . 2]" 1
61 1 7 LYS QB 1 8 ASP H 4.400 . 4.400 3.144 2.839 3.472 . 0 0 "[ . 1 . 2]" 1
62 1 7 LYS QD 1 8 ASP H 7.000 . 7.000 5.169 4.249 5.954 . 0 0 "[ . 1 . 2]" 1
63 1 8 ASP H 1 8 ASP HA 2.900 . 2.900 2.871 2.773 2.907 0.007 13 0 "[ . 1 . 2]" 1
64 1 8 ASP H 1 8 ASP QB 3.500 . 3.500 2.306 2.247 2.533 . 0 0 "[ . 1 . 2]" 1
65 1 8 ASP H 1 9 CYS H 3.300 . 3.300 2.499 2.303 2.859 . 0 0 "[ . 1 . 2]" 1
66 1 8 ASP HA 1 9 CYS H 3.400 . 3.400 3.462 3.367 3.528 0.128 15 0 "[ . 1 . 2]" 1
67 1 8 ASP HA 1 10 ALA H 4.500 . 4.500 3.714 3.269 4.149 . 0 0 "[ . 1 . 2]" 1
68 1 9 CYS CB 1 29 CYS SG 3.100 . 3.100 3.012 2.954 3.054 . 0 0 "[ . 1 . 2]" 1
69 1 9 CYS H 1 9 CYS HA 2.900 . 2.900 2.904 2.881 2.925 0.025 10 0 "[ . 1 . 2]" 1
70 1 9 CYS H 1 9 CYS HB2 3.500 . 3.500 2.904 2.283 3.649 0.149 10 0 "[ . 1 . 2]" 1
71 1 9 CYS H 1 9 CYS HB3 3.500 . 3.500 3.501 3.051 3.679 0.179 8 0 "[ . 1 . 2]" 1
72 1 9 CYS H 1 10 ALA H 2.800 . 2.800 2.461 2.333 2.684 . 0 0 "[ . 1 . 2]" 1
73 1 9 CYS H 1 11 ASP H 4.700 . 4.700 4.647 4.395 4.810 0.110 18 0 "[ . 1 . 2]" 1
74 1 9 CYS HA 1 11 ASP H 4.300 . 4.300 3.635 3.434 4.010 . 0 0 "[ . 1 . 2]" 1
75 1 9 CYS HA 1 12 PRO HD2 4.500 . 4.500 2.426 1.867 3.029 . 0 0 "[ . 1 . 2]" 1
76 1 9 CYS HA 1 12 PRO QD 3.800 . 3.800 2.388 1.856 2.953 . 0 0 "[ . 1 . 2]" 1
77 1 9 CYS HA 1 12 PRO HD3 4.500 . 4.500 3.609 3.224 4.093 . 0 0 "[ . 1 . 2]" 1
78 1 9 CYS HA 1 13 CYS H 4.300 . 4.300 3.724 3.443 3.958 . 0 0 "[ . 1 . 2]" 1
79 1 9 CYS QB 1 29 CYS QB 6.000 . 6.000 3.193 2.275 4.016 . 0 0 "[ . 1 . 2]" 1
80 1 9 CYS HB2 1 13 CYS H 4.300 . 4.300 4.066 3.028 4.599 0.299 1 0 "[ . 1 . 2]" 1
81 1 9 CYS HB3 1 13 CYS H 4.300 . 4.300 3.876 2.940 4.539 0.239 20 0 "[ . 1 . 2]" 1
82 1 9 CYS O 1 13 CYS H 2.000 . 2.000 1.703 1.635 1.815 0.165 14 0 "[ . 1 . 2]" 1
83 1 9 CYS O 1 13 CYS N 3.000 . 3.000 2.662 2.586 2.775 . 0 0 "[ . 1 . 2]" 1
84 1 9 CYS SG 1 29 CYS CB 3.100 . 3.100 3.036 2.998 3.121 0.021 1 0 "[ . 1 . 2]" 1
85 1 9 CYS SG 1 29 CYS SG 2.100 . 2.100 2.023 2.016 2.032 . 0 0 "[ . 1 . 2]" 1
86 1 10 ALA H 1 10 ALA HA 2.900 . 2.900 2.816 2.794 2.846 . 0 0 "[ . 1 . 2]" 1
87 1 10 ALA H 1 11 ASP H 2.900 . 2.900 2.611 2.484 2.717 . 0 0 "[ . 1 . 2]" 1
88 1 10 ALA H 1 12 PRO HD2 6.000 . 6.000 3.417 3.189 3.602 . 0 0 "[ . 1 . 2]" 1
89 1 10 ALA H 1 12 PRO QD 5.300 . 5.300 3.358 3.110 3.549 . 0 0 "[ . 1 . 2]" 1
90 1 10 ALA H 1 12 PRO HD3 6.000 . 6.000 4.976 4.323 5.345 . 0 0 "[ . 1 . 2]" 1
91 1 10 ALA HA 1 13 CYS H 3.500 . 3.500 3.670 3.542 3.763 0.263 2 0 "[ . 1 . 2]" 1
92 1 10 ALA HA 1 21 TYR H 4.100 . 4.100 3.884 3.028 4.186 0.086 11 0 "[ . 1 . 2]" 1
93 1 10 ALA O 1 14 ARG H 2.000 . 2.000 2.360 2.125 2.584 0.584 17 6 "[ * . *1 * * + -]" 1
94 1 10 ALA O 1 14 ARG N 3.000 . 3.000 3.170 2.937 3.409 0.409 17 0 "[ . 1 . 2]" 1
95 1 11 ASP H 1 11 ASP HA 2.900 . 2.900 2.882 2.864 2.899 . 0 0 "[ . 1 . 2]" 1
96 1 11 ASP H 1 11 ASP HB2 3.000 . 3.000 2.631 2.489 2.758 . 0 0 "[ . 1 . 2]" 1
97 1 11 ASP H 1 11 ASP QB 2.800 . 2.800 2.326 2.281 2.347 . 0 0 "[ . 1 . 2]" 1
98 1 11 ASP H 1 11 ASP HB3 3.000 . 3.000 2.601 2.492 2.733 . 0 0 "[ . 1 . 2]" 1
99 1 11 ASP H 1 12 PRO HB2 5.700 . 5.700 5.160 4.629 5.553 . 0 0 "[ . 1 . 2]" 1
100 1 11 ASP H 1 12 PRO QB 5.500 . 5.500 4.787 4.448 5.016 . 0 0 "[ . 1 . 2]" 1
101 1 11 ASP H 1 12 PRO HB3 5.700 . 5.700 5.739 5.591 5.822 0.122 13 0 "[ . 1 . 2]" 1
102 1 11 ASP H 1 12 PRO HD2 3.500 . 3.500 1.938 1.787 2.117 0.013 14 0 "[ . 1 . 2]" 1
103 1 11 ASP H 1 12 PRO QD 3.000 . 3.000 1.903 1.779 2.014 0.021 14 0 "[ . 1 . 2]" 1
104 1 11 ASP H 1 12 PRO HD3 3.500 . 3.500 3.088 2.442 3.426 . 0 0 "[ . 1 . 2]" 1
105 1 11 ASP H 1 13 CYS H 4.300 . 4.300 3.895 3.664 4.156 . 0 0 "[ . 1 . 2]" 1
106 1 11 ASP QB 1 12 PRO QD 3.300 . 3.300 1.760 1.630 1.928 0.170 13 0 "[ . 1 . 2]" 1
107 1 11 ASP HB2 1 12 PRO HD2 4.000 . 4.000 3.616 3.312 4.139 0.139 19 0 "[ . 1 . 2]" 1
108 1 11 ASP HB2 1 12 PRO HD3 4.000 . 4.000 3.504 3.158 3.767 . 0 0 "[ . 1 . 2]" 1
109 1 11 ASP HB3 1 12 PRO HD2 4.000 . 4.000 2.503 2.140 3.096 . 0 0 "[ . 1 . 2]" 1
110 1 11 ASP HB3 1 12 PRO HD3 4.000 . 4.000 1.842 1.642 2.057 0.158 13 0 "[ . 1 . 2]" 1
111 1 12 PRO HA 1 13 CYS H 3.500 . 3.500 3.599 3.559 3.624 0.124 8 0 "[ . 1 . 2]" 1
112 1 12 PRO HA 1 15 LYS H 3.200 . 3.200 3.327 3.265 3.468 0.268 11 0 "[ . 1 . 2]" 1
113 1 12 PRO QB 1 13 CYS H 4.200 . 4.200 2.610 2.179 2.989 . 0 0 "[ . 1 . 2]" 1
114 1 12 PRO HB2 1 13 CYS H 4.700 . 4.700 2.651 2.196 3.062 . 0 0 "[ . 1 . 2]" 1
115 1 12 PRO HB3 1 13 CYS H 4.700 . 4.700 3.962 3.653 4.169 . 0 0 "[ . 1 . 2]" 1
116 1 12 PRO QD 1 13 CYS H 4.500 . 4.500 3.132 2.647 3.532 . 0 0 "[ . 1 . 2]" 1
117 1 12 PRO HD2 1 13 CYS H 5.200 . 5.200 3.226 2.685 3.663 . 0 0 "[ . 1 . 2]" 1
118 1 12 PRO HD3 1 13 CYS H 5.200 . 5.200 4.286 4.006 4.630 . 0 0 "[ . 1 . 2]" 1
119 1 12 PRO QG 1 13 CYS H 4.600 . 4.600 3.206 2.537 3.793 . 0 0 "[ . 1 . 2]" 1
120 1 12 PRO O 1 16 GLU H 2.000 . 2.000 1.788 1.689 1.905 0.111 11 0 "[ . 1 . 2]" 1
121 1 12 PRO O 1 16 GLU N 3.000 . 3.000 2.658 2.572 2.758 . 0 0 "[ . 1 . 2]" 1
122 1 13 CYS CB 1 31 CYS SG 3.100 . 3.100 3.013 2.981 3.046 . 0 0 "[ . 1 . 2]" 1
123 1 13 CYS H 1 13 CYS HB2 3.300 . 3.300 2.349 2.233 2.520 . 0 0 "[ . 1 . 2]" 1
124 1 13 CYS H 1 13 CYS QB 3.000 . 3.000 2.280 2.209 2.440 . 0 0 "[ . 1 . 2]" 1
125 1 13 CYS H 1 13 CYS HB3 3.300 . 3.300 3.318 2.596 3.546 0.246 17 0 "[ . 1 . 2]" 1
126 1 13 CYS H 1 14 ARG H 2.800 . 2.800 2.606 2.474 2.759 . 0 0 "[ . 1 . 2]" 1
127 1 13 CYS HA 1 16 GLU H 3.000 . 3.000 2.903 2.698 3.093 0.093 6 0 "[ . 1 . 2]" 1
128 1 13 CYS HA 1 17 THR H 3.000 . 3.000 3.101 3.012 3.232 0.232 5 0 "[ . 1 . 2]" 1
129 1 13 CYS QB 1 14 ARG H 3.400 . 3.400 2.747 2.576 2.907 . 0 0 "[ . 1 . 2]" 1
130 1 13 CYS QB 1 31 CYS QB 5.000 . 5.000 2.310 1.766 2.939 0.034 9 0 "[ . 1 . 2]" 1
131 1 13 CYS QB 1 32 ASN H 6.500 . 6.500 3.891 3.168 4.560 . 0 0 "[ . 1 . 2]" 1
132 1 13 CYS HB2 1 14 ARG H 3.600 . 3.600 3.124 2.628 3.858 0.258 1 0 "[ . 1 . 2]" 1
133 1 13 CYS HB2 1 21 TYR H 4.200 . 4.200 3.978 3.519 4.275 0.075 8 0 "[ . 1 . 2]" 1
134 1 13 CYS HB3 1 14 ARG H 3.600 . 3.600 3.418 2.622 3.754 0.154 4 0 "[ . 1 . 2]" 1
135 1 13 CYS HB3 1 21 TYR H 4.200 . 4.200 3.568 2.885 4.211 0.011 9 0 "[ . 1 . 2]" 1
136 1 13 CYS O 1 17 THR H 2.000 . 2.000 1.746 1.665 1.842 0.135 14 0 "[ . 1 . 2]" 1
137 1 13 CYS O 1 17 THR N 3.000 . 3.000 2.684 2.618 2.741 . 0 0 "[ . 1 . 2]" 1
138 1 13 CYS SG 1 31 CYS CB 3.100 . 3.100 3.022 2.987 3.046 . 0 0 "[ . 1 . 2]" 1
139 1 13 CYS SG 1 31 CYS SG 2.100 . 2.100 2.025 2.016 2.033 . 0 0 "[ . 1 . 2]" 1
140 1 14 ARG H 1 14 ARG HA 2.800 . 2.800 2.825 2.782 2.852 0.052 18 0 "[ . 1 . 2]" 1
141 1 14 ARG H 1 14 ARG HB2 2.800 . 2.800 2.537 2.313 2.698 . 0 0 "[ . 1 . 2]" 1
142 1 14 ARG H 1 14 ARG HB3 2.800 . 2.800 2.510 2.309 2.805 0.005 19 0 "[ . 1 . 2]" 1
143 1 14 ARG H 1 14 ARG HG2 5.600 . 5.600 4.442 4.302 4.512 . 0 0 "[ . 1 . 2]" 1
144 1 14 ARG H 1 14 ARG HG3 5.600 . 5.600 4.483 4.360 4.586 . 0 0 "[ . 1 . 2]" 1
145 1 14 ARG H 1 14 ARG NE 6.000 . 6.000 5.292 4.908 6.218 0.218 13 0 "[ . 1 . 2]" 1
146 1 14 ARG H 1 15 LYS H 2.800 . 2.800 2.580 2.475 2.684 . 0 0 "[ . 1 . 2]" 1
147 1 14 ARG H 1 20 PRO HA 3.200 . 3.200 3.243 3.197 3.302 0.102 1 0 "[ . 1 . 2]" 1
148 1 14 ARG HA 1 14 ARG QG 4.000 . 4.000 2.506 2.312 3.042 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG HA 1 14 ARG NE 6.000 . 6.000 4.887 4.291 5.200 . 0 0 "[ . 1 . 2]" 1
150 1 14 ARG HA 1 15 LYS H 3.400 . 3.400 3.429 3.359 3.474 0.074 8 0 "[ . 1 . 2]" 1
151 1 14 ARG HA 1 16 GLU H 4.300 . 4.300 4.365 4.305 4.425 0.125 17 0 "[ . 1 . 2]" 1
152 1 14 ARG HA 1 17 THR H 3.800 . 3.800 3.882 3.833 3.932 0.132 4 0 "[ . 1 . 2]" 1
153 1 14 ARG HA 1 18 GLY H 3.800 . 3.800 2.651 2.438 2.995 . 0 0 "[ . 1 . 2]" 1
154 1 14 ARG HA 1 18 GLY QA 4.800 . 4.800 2.671 2.256 3.058 . 0 0 "[ . 1 . 2]" 1
155 1 14 ARG HA 1 19 CYS H 2.800 . 2.800 2.766 2.129 2.869 0.069 9 0 "[ . 1 . 2]" 1
156 1 14 ARG QD 1 19 CYS H 7.000 . 7.000 5.935 3.923 6.623 . 0 0 "[ . 1 . 2]" 1
157 1 15 LYS H 1 15 LYS HA 2.900 . 2.900 2.914 2.884 2.942 0.042 11 0 "[ . 1 . 2]" 1
158 1 15 LYS H 1 15 LYS QB 3.500 . 3.500 2.317 2.131 2.584 . 0 0 "[ . 1 . 2]" 1
159 1 15 LYS H 1 15 LYS QE 7.000 . 7.000 4.821 3.326 5.973 . 0 0 "[ . 1 . 2]" 1
160 1 15 LYS H 1 15 LYS NZ 6.000 . 6.000 5.324 4.412 6.133 0.133 12 0 "[ . 1 . 2]" 1
161 1 15 LYS H 1 16 GLU H 2.900 . 2.900 2.157 1.931 2.341 . 0 0 "[ . 1 . 2]" 1
162 1 15 LYS H 1 16 GLU QB 4.800 . 4.800 3.784 3.673 3.876 . 0 0 "[ . 1 . 2]" 1
163 1 15 LYS HA 1 15 LYS NZ 6.000 . 6.000 4.793 3.544 5.855 . 0 0 "[ . 1 . 2]" 1
164 1 15 LYS HA 1 16 GLU H 3.600 . 3.600 3.473 3.433 3.511 . 0 0 "[ . 1 . 2]" 1
165 1 15 LYS HA 1 18 GLY H 4.400 . 4.400 4.398 3.996 4.485 0.085 10 0 "[ . 1 . 2]" 1
166 1 15 LYS QB 1 16 GLU H 3.500 . 3.500 2.603 2.526 2.682 . 0 0 "[ . 1 . 2]" 1
167 1 16 GLU H 1 16 GLU HA 2.900 . 2.900 2.840 2.797 2.905 0.005 4 0 "[ . 1 . 2]" 1
168 1 16 GLU H 1 16 GLU HB2 2.900 . 2.900 2.201 1.921 2.739 . 0 0 "[ . 1 . 2]" 1
169 1 16 GLU H 1 16 GLU QB 2.500 . 2.500 2.051 1.905 2.219 . 0 0 "[ . 1 . 2]" 1
170 1 16 GLU H 1 16 GLU HB3 2.900 . 2.900 2.932 2.300 3.392 0.492 1 0 "[ . 1 . 2]" 1
171 1 16 GLU HA 1 17 THR H 3.500 . 3.500 3.548 3.521 3.576 0.076 3 0 "[ . 1 . 2]" 1
172 1 16 GLU QB 1 17 THR H 3.500 . 3.500 2.392 1.888 2.637 . 0 0 "[ . 1 . 2]" 1
173 1 16 GLU QB 1 17 THR HG1 6.800 . 6.800 2.942 2.092 3.639 . 0 0 "[ . 1 . 2]" 1
174 1 16 GLU HB2 1 17 THR HG1 7.000 . 7.000 4.166 3.360 5.053 . 0 0 "[ . 1 . 2]" 1
175 1 16 GLU HB3 1 17 THR HG1 7.000 . 7.000 3.048 2.105 3.758 . 0 0 "[ . 1 . 2]" 1
176 1 17 THR H 1 17 THR HA 2.900 . 2.900 2.946 2.934 2.955 0.055 10 0 "[ . 1 . 2]" 1
177 1 17 THR H 1 17 THR HB 3.500 . 3.500 2.868 2.535 3.696 0.196 20 0 "[ . 1 . 2]" 1
178 1 17 THR H 1 18 GLY H 2.400 . 2.400 1.878 1.799 1.987 0.001 14 0 "[ . 1 . 2]" 1
179 1 17 THR H 1 18 GLY QA 4.900 . 4.900 3.878 3.817 3.951 . 0 0 "[ . 1 . 2]" 1
180 1 17 THR HB 1 18 GLY H 5.100 . 5.100 3.250 2.728 4.268 . 0 0 "[ . 1 . 2]" 1
181 1 17 THR HG1 1 18 GLY H 7.000 . 7.000 3.492 2.721 4.110 . 0 0 "[ . 1 . 2]" 1
182 1 17 THR HG1 1 19 CYS H 7.000 . 7.000 3.025 1.754 4.045 0.046 2 0 "[ . 1 . 2]" 1
183 1 17 THR HG1 1 31 CYS HB2 7.000 . 7.000 3.839 2.486 5.970 . 0 0 "[ . 1 . 2]" 1
184 1 17 THR HG1 1 31 CYS QB 6.800 . 6.800 3.389 2.372 4.923 . 0 0 "[ . 1 . 2]" 1
185 1 17 THR HG1 1 31 CYS HB3 7.000 . 7.000 3.875 2.789 5.268 . 0 0 "[ . 1 . 2]" 1
186 1 17 THR HG1 1 32 ASN H 7.000 . 7.000 4.808 3.725 6.614 . 0 0 "[ . 1 . 2]" 1
187 1 17 THR HG1 1 33 ARG H 7.000 . 7.000 4.251 3.439 5.640 . 0 0 "[ . 1 . 2]" 1
188 1 17 THR HG1 1 34 CYS H 7.000 . 7.000 4.151 1.896 7.021 0.021 6 0 "[ . 1 . 2]" 1
189 1 18 GLY HA2 1 19 CYS H 3.400 . 3.400 3.278 2.982 3.366 . 0 0 "[ . 1 . 2]" 1
190 1 18 GLY HA3 1 19 CYS H 3.400 . 3.400 3.218 3.109 3.451 0.051 4 0 "[ . 1 . 2]" 1
191 1 19 CYS H 1 19 CYS HB2 3.500 . 3.500 2.573 2.484 3.212 . 0 0 "[ . 1 . 2]" 1
192 1 19 CYS H 1 19 CYS QB 3.300 . 3.300 2.502 2.444 2.666 . 0 0 "[ . 1 . 2]" 1
193 1 19 CYS H 1 19 CYS HB3 3.500 . 3.500 3.604 2.848 3.696 0.196 11 0 "[ . 1 . 2]" 1
194 1 19 CYS QB 1 20 PRO QD 5.600 . 5.600 2.970 2.662 3.542 . 0 0 "[ . 1 . 2]" 1
195 1 19 CYS QB 1 21 TYR CG 7.200 . 7.200 3.866 3.336 5.334 . 0 0 "[ . 1 . 2]" 1
196 1 19 CYS QB 1 21 TYR CZ 8.600 . 8.600 4.842 2.799 6.941 . 0 0 "[ . 1 . 2]" 1
197 1 19 CYS QB 1 21 TYR H 3.800 . 3.800 2.977 2.781 3.125 . 0 0 "[ . 1 . 2]" 1
198 1 19 CYS HB2 1 20 PRO QD 6.200 . 6.200 4.063 3.885 4.270 . 0 0 "[ . 1 . 2]" 1
199 1 19 CYS HB2 1 21 TYR CG 8.000 . 8.000 5.068 4.382 6.301 . 0 0 "[ . 1 . 2]" 1
200 1 19 CYS HB2 1 21 TYR H 4.300 . 4.300 3.396 3.179 4.368 0.068 4 0 "[ . 1 . 2]" 1
201 1 19 CYS HB3 1 20 PRO QD 6.200 . 6.200 3.073 2.707 4.083 . 0 0 "[ . 1 . 2]" 1
202 1 19 CYS HB3 1 21 TYR CG 8.000 . 8.000 4.019 3.439 5.757 . 0 0 "[ . 1 . 2]" 1
203 1 19 CYS HB3 1 21 TYR H 4.300 . 4.300 3.331 2.948 3.632 . 0 0 "[ . 1 . 2]" 1
204 1 20 PRO QD 1 21 TYR CG 8.500 . 8.500 4.089 3.754 4.612 . 0 0 "[ . 1 . 2]" 1
205 1 20 PRO QD 1 21 TYR CZ 8.400 . 8.400 3.932 3.147 4.858 . 0 0 "[ . 1 . 2]" 1
206 1 20 PRO QG 1 21 TYR CG 8.600 . 8.600 4.115 3.702 4.797 . 0 0 "[ . 1 . 2]" 1
207 1 20 PRO QG 1 21 TYR CZ 8.500 . 8.500 3.708 3.141 4.787 . 0 0 "[ . 1 . 2]" 1
208 1 20 PRO QG 1 21 TYR H 5.200 . 5.200 4.149 3.773 4.389 . 0 0 "[ . 1 . 2]" 1
209 1 21 TYR CG 1 22 GLY H 7.800 . 7.800 4.040 3.824 4.305 . 0 0 "[ . 1 . 2]" 1
210 1 21 TYR CZ 1 22 GLY H 8.000 . 8.000 6.651 6.349 6.989 . 0 0 "[ . 1 . 2]" 1
211 1 21 TYR H 1 21 TYR HA 2.900 . 2.900 2.926 2.905 2.945 0.045 14 0 "[ . 1 . 2]" 1
212 1 21 TYR H 1 21 TYR HB2 3.500 . 3.500 2.706 2.489 3.659 0.159 2 0 "[ . 1 . 2]" 1
213 1 21 TYR H 1 21 TYR QB 3.300 . 3.300 2.631 2.451 3.173 . 0 0 "[ . 1 . 2]" 1
214 1 21 TYR H 1 21 TYR HB3 3.500 . 3.500 3.730 3.480 3.798 0.298 10 0 "[ . 1 . 2]" 1
215 1 21 TYR H 1 22 GLY H 4.900 . 4.900 4.376 4.329 4.426 . 0 0 "[ . 1 . 2]" 1
216 1 21 TYR H 1 32 ASN H 4.800 . 4.800 4.155 3.722 4.745 . 0 0 "[ . 1 . 2]" 1
217 1 21 TYR HA 1 22 GLY H 2.500 . 2.500 2.514 2.369 2.627 0.127 14 0 "[ . 1 . 2]" 1
218 1 21 TYR QB 1 22 GLY H 3.000 . 3.000 2.145 1.904 2.411 . 0 0 "[ . 1 . 2]" 1
219 1 21 TYR QB 1 32 ASN H 6.900 . 6.900 3.298 2.749 4.224 . 0 0 "[ . 1 . 2]" 1
220 1 21 TYR QB 1 32 ASN QD 6.300 . 6.300 3.101 2.373 3.921 . 0 0 "[ . 1 . 2]" 1
221 1 21 TYR HB2 1 22 GLY H 3.200 . 3.200 3.226 2.354 3.326 0.126 11 0 "[ . 1 . 2]" 1
222 1 21 TYR HB3 1 22 GLY H 3.200 . 3.200 2.227 1.918 3.358 0.158 2 0 "[ . 1 . 2]" 1
223 1 22 GLY H 1 22 GLY HA2 2.800 . 2.800 2.610 2.429 2.749 . 0 0 "[ . 1 . 2]" 1
224 1 22 GLY H 1 22 GLY HA3 2.800 . 2.800 2.902 2.839 2.933 0.133 1 0 "[ . 1 . 2]" 1
225 1 22 GLY H 1 32 ASN H 4.000 . 4.000 3.901 3.298 4.103 0.103 7 0 "[ . 1 . 2]" 1
226 1 22 GLY QA 1 23 LYS H 2.800 . 2.800 2.226 2.142 2.266 . 0 0 "[ . 1 . 2]" 1
227 1 22 GLY QA 1 31 CYS HA 4.000 . 4.000 1.916 1.650 2.159 0.150 14 0 "[ . 1 . 2]" 1
228 1 22 GLY HA2 1 23 LYS H 3.300 . 3.300 2.517 2.198 2.756 . 0 0 "[ . 1 . 2]" 1
229 1 22 GLY HA2 1 31 CYS HA 4.700 . 4.700 2.445 1.756 3.139 0.044 14 0 "[ . 1 . 2]" 1
230 1 22 GLY HA2 1 32 ASN H 3.300 . 3.300 2.529 1.918 2.970 . 0 0 "[ . 1 . 2]" 1
231 1 22 GLY HA3 1 23 LYS H 3.300 . 3.300 2.551 2.324 2.960 . 0 0 "[ . 1 . 2]" 1
232 1 22 GLY HA3 1 31 CYS HA 4.700 . 4.700 2.088 1.807 2.535 . 0 0 "[ . 1 . 2]" 1
233 1 22 GLY HA3 1 32 ASN H 3.300 . 3.300 3.061 2.195 3.397 0.097 6 0 "[ . 1 . 2]" 1
234 1 23 LYS H 1 23 LYS HB2 3.100 . 3.100 2.902 2.461 3.111 0.011 1 0 "[ . 1 . 2]" 1
235 1 23 LYS H 1 23 LYS HB3 3.100 . 3.100 3.045 2.722 3.249 0.149 19 0 "[ . 1 . 2]" 1
236 1 23 LYS H 1 23 LYS QE 7.000 . 7.000 4.451 3.737 5.485 . 0 0 "[ . 1 . 2]" 1
237 1 23 LYS H 1 23 LYS NZ 6.000 . 6.000 5.731 4.505 6.177 0.177 20 0 "[ . 1 . 2]" 1
238 1 23 LYS H 1 24 CYS H 5.000 . 5.000 4.333 4.254 4.423 . 0 0 "[ . 1 . 2]" 1
239 1 23 LYS H 1 30 LYS H 3.300 . 3.300 3.295 3.135 3.371 0.071 16 0 "[ . 1 . 2]" 1
240 1 23 LYS H 1 30 LYS O 2.000 . 2.000 1.727 1.665 1.846 0.135 19 0 "[ . 1 . 2]" 1
241 1 23 LYS H 1 31 CYS HA 3.200 . 3.200 3.118 2.431 3.304 0.104 13 0 "[ . 1 . 2]" 1
242 1 23 LYS HA 1 23 LYS QD 5.000 . 5.000 2.950 1.885 4.199 . 0 0 "[ . 1 . 2]" 1
243 1 23 LYS HA 1 23 LYS QE 4.000 . 4.000 3.579 2.739 4.099 0.099 13 0 "[ . 1 . 2]" 1
244 1 23 LYS HA 1 23 LYS NZ 6.000 . 6.000 4.853 3.711 6.059 0.059 9 0 "[ . 1 . 2]" 1
245 1 23 LYS HA 1 24 CYS H 2.400 . 2.400 2.310 2.190 2.482 0.082 14 0 "[ . 1 . 2]" 1
246 1 23 LYS QB 1 24 CYS H 3.900 . 3.900 3.298 3.168 3.380 . 0 0 "[ . 1 . 2]" 1
247 1 23 LYS HB2 1 24 CYS H 4.600 . 4.600 4.180 3.904 4.410 . 0 0 "[ . 1 . 2]" 1
248 1 23 LYS HB3 1 24 CYS H 4.600 . 4.600 3.455 3.351 3.581 . 0 0 "[ . 1 . 2]" 1
249 1 23 LYS QD 1 24 CYS H 7.000 . 7.000 3.472 1.816 4.736 . 0 0 "[ . 1 . 2]" 1
250 1 23 LYS QG 1 30 LYS H 7.000 . 7.000 5.375 4.750 6.102 . 0 0 "[ . 1 . 2]" 1
251 1 23 LYS N 1 30 LYS O 3.000 . 3.000 2.684 2.631 2.779 . 0 0 "[ . 1 . 2]" 1
252 1 23 LYS O 1 30 LYS H 2.000 . 2.000 1.748 1.645 1.968 0.155 5 0 "[ . 1 . 2]" 1
253 1 23 LYS O 1 30 LYS N 3.000 . 3.000 2.680 2.611 2.874 . 0 0 "[ . 1 . 2]" 1
254 1 24 CYS H 1 24 CYS HA 2.900 . 2.900 2.936 2.916 2.948 0.048 3 0 "[ . 1 . 2]" 1
255 1 24 CYS H 1 24 CYS HB2 2.900 . 2.900 2.812 2.543 2.970 0.070 2 0 "[ . 1 . 2]" 1
256 1 24 CYS H 1 24 CYS HB3 2.900 . 2.900 2.608 2.412 2.858 . 0 0 "[ . 1 . 2]" 1
257 1 24 CYS HA 1 24 CYS HB2 3.000 . 3.000 2.515 2.412 2.644 . 0 0 "[ . 1 . 2]" 1
258 1 24 CYS HA 1 24 CYS QB 2.700 . 2.700 2.397 2.321 2.477 . 0 0 "[ . 1 . 2]" 1
259 1 24 CYS HA 1 24 CYS HB3 3.000 . 3.000 3.024 2.988 3.037 0.037 2 0 "[ . 1 . 2]" 1
260 1 24 CYS HA 1 25 MET H 2.400 . 2.400 2.226 2.159 2.309 . 0 0 "[ . 1 . 2]" 1
261 1 24 CYS HA 1 30 LYS H 2.500 . 2.500 2.668 2.581 2.778 0.278 2 0 "[ . 1 . 2]" 1
262 1 24 CYS QB 1 25 MET H 4.300 . 4.300 3.630 3.433 3.793 . 0 0 "[ . 1 . 2]" 1
263 1 24 CYS HB2 1 25 MET H 4.600 . 4.600 4.197 4.036 4.421 . 0 0 "[ . 1 . 2]" 1
264 1 24 CYS HB3 1 25 MET H 4.600 . 4.600 3.985 3.631 4.168 . 0 0 "[ . 1 . 2]" 1
265 1 25 MET H 1 25 MET HA 2.900 . 2.900 2.931 2.914 2.950 0.050 10 0 "[ . 1 . 2]" 1
266 1 25 MET H 1 25 MET HB2 3.200 . 3.200 2.521 2.164 2.777 . 0 0 "[ . 1 . 2]" 1
267 1 25 MET H 1 25 MET QB 2.900 . 2.900 2.312 2.140 2.515 . 0 0 "[ . 1 . 2]" 1
268 1 25 MET H 1 25 MET HB3 3.200 . 3.200 2.803 2.518 3.378 0.178 19 0 "[ . 1 . 2]" 1
269 1 25 MET H 1 26 ASN H 4.600 . 4.600 4.469 4.231 4.542 . 0 0 "[ . 1 . 2]" 1
270 1 25 MET H 1 28 LYS H 2.900 . 2.900 3.050 2.973 3.169 0.269 12 0 "[ . 1 . 2]" 1
271 1 25 MET H 1 28 LYS QB 5.200 . 5.200 3.538 2.911 4.106 . 0 0 "[ . 1 . 2]" 1
272 1 25 MET H 1 28 LYS O 2.000 . 2.000 1.709 1.617 1.849 0.183 19 0 "[ . 1 . 2]" 1
273 1 25 MET H 1 29 CYS H 3.700 . 3.700 3.970 3.862 4.088 0.388 10 0 "[ . 1 . 2]" 1
274 1 25 MET H 1 29 CYS HA 2.800 . 2.800 2.400 2.102 2.884 0.084 6 0 "[ . 1 . 2]" 1
275 1 25 MET H 1 30 LYS H 3.800 . 3.800 3.794 3.430 3.929 0.129 19 0 "[ . 1 . 2]" 1
276 1 25 MET HA 1 25 MET HB2 2.900 . 2.900 2.635 2.485 2.929 0.029 19 0 "[ . 1 . 2]" 1
277 1 25 MET HA 1 25 MET HB3 2.900 . 2.900 2.943 2.723 2.996 0.096 7 0 "[ . 1 . 2]" 1
278 1 25 MET HA 1 26 ASN H 2.400 . 2.400 2.521 2.072 2.608 0.208 19 0 "[ . 1 . 2]" 1
279 1 25 MET QB 1 26 ASN H 3.800 . 3.800 2.878 1.997 3.432 . 0 0 "[ . 1 . 2]" 1
280 1 25 MET HB2 1 26 ASN H 4.200 . 4.200 3.829 3.528 4.385 0.185 10 0 "[ . 1 . 2]" 1
281 1 25 MET HB3 1 26 ASN H 4.200 . 4.200 2.995 2.008 3.585 . 0 0 "[ . 1 . 2]" 1
282 1 25 MET QG 1 26 ASN H 7.000 . 7.000 1.963 1.698 3.086 0.102 18 0 "[ . 1 . 2]" 1
283 1 25 MET N 1 28 LYS O 3.000 . 3.000 2.580 2.490 2.740 . 0 0 "[ . 1 . 2]" 1
284 1 25 MET O 1 28 LYS H 2.000 . 2.000 2.390 2.048 2.578 0.578 15 8 "[ * **1 +*-**2]" 1
285 1 25 MET O 1 28 LYS N 3.000 . 3.000 3.250 2.809 3.486 0.486 17 0 "[ . 1 . 2]" 1
286 1 26 ASN H 1 26 ASN HA 2.800 . 2.800 2.648 2.274 2.713 . 0 0 "[ . 1 . 2]" 1
287 1 26 ASN H 1 26 ASN HB2 3.700 . 3.700 2.621 2.191 3.654 . 0 0 "[ . 1 . 2]" 1
288 1 26 ASN H 1 26 ASN QB 3.400 . 3.400 2.399 2.144 2.808 . 0 0 "[ . 1 . 2]" 1
289 1 26 ASN H 1 26 ASN HB3 3.700 . 3.700 3.068 2.438 3.659 . 0 0 "[ . 1 . 2]" 1
290 1 26 ASN H 1 27 ARG H 3.300 . 3.300 3.154 2.925 3.341 0.041 13 0 "[ . 1 . 2]" 1
291 1 26 ASN H 1 28 LYS H 4.600 . 4.600 3.897 3.715 4.111 . 0 0 "[ . 1 . 2]" 1
292 1 26 ASN HA 1 26 ASN HB2 2.900 . 2.900 2.648 2.375 3.000 0.100 1 0 "[ . 1 . 2]" 1
293 1 26 ASN HA 1 26 ASN HB3 2.900 . 2.900 2.778 2.336 3.004 0.104 17 0 "[ . 1 . 2]" 1
294 1 26 ASN HA 1 27 ARG H 3.500 . 3.500 3.499 2.581 3.568 0.068 9 0 "[ . 1 . 2]" 1
295 1 26 ASN HA 1 28 LYS H 4.500 . 4.500 4.566 4.237 4.704 0.204 8 0 "[ . 1 . 2]" 1
296 1 26 ASN QB 1 27 ARG H 4.300 . 4.300 2.578 2.180 3.947 . 0 0 "[ . 1 . 2]" 1
297 1 26 ASN HB2 1 27 ARG H 4.500 . 4.500 3.341 2.245 4.585 0.085 10 0 "[ . 1 . 2]" 1
298 1 26 ASN HB3 1 27 ARG H 4.500 . 4.500 2.975 2.206 4.306 . 0 0 "[ . 1 . 2]" 1
299 1 27 ARG H 1 27 ARG HA 2.900 . 2.900 2.883 2.260 2.939 0.039 12 0 "[ . 1 . 2]" 1
300 1 27 ARG H 1 27 ARG HB2 3.800 . 3.800 2.954 2.609 3.242 . 0 0 "[ . 1 . 2]" 1
301 1 27 ARG H 1 27 ARG QB 3.500 . 3.500 2.695 2.563 2.914 . 0 0 "[ . 1 . 2]" 1
302 1 27 ARG H 1 27 ARG HB3 3.800 . 3.800 3.366 2.809 3.810 0.010 3 0 "[ . 1 . 2]" 1
303 1 27 ARG H 1 27 ARG QG 4.500 . 4.500 3.905 3.149 4.418 . 0 0 "[ . 1 . 2]" 1
304 1 27 ARG H 1 27 ARG NE 6.000 . 6.000 4.907 3.998 5.561 . 0 0 "[ . 1 . 2]" 1
305 1 27 ARG H 1 28 LYS H 3.300 . 3.300 2.238 1.853 2.657 . 0 0 "[ . 1 . 2]" 1
306 1 27 ARG HA 1 27 ARG NE 5.500 . 5.500 2.285 1.981 3.075 . 0 0 "[ . 1 . 2]" 1
307 1 27 ARG HA 1 28 LYS H 3.600 . 3.600 2.950 2.569 3.325 . 0 0 "[ . 1 . 2]" 1
308 1 27 ARG HB2 1 28 LYS H 4.900 . 4.900 4.316 3.691 4.554 . 0 0 "[ . 1 . 2]" 1
309 1 27 ARG HB3 1 28 LYS H 4.900 . 4.900 4.152 3.619 4.398 . 0 0 "[ . 1 . 2]" 1
310 1 28 LYS H 1 28 LYS HA 2.900 . 2.900 2.923 2.900 2.940 0.040 19 0 "[ . 1 . 2]" 1
311 1 28 LYS H 1 28 LYS HB2 3.700 . 3.700 2.835 2.629 3.084 . 0 0 "[ . 1 . 2]" 1
312 1 28 LYS H 1 28 LYS QB 3.300 . 3.300 2.734 2.579 2.955 . 0 0 "[ . 1 . 2]" 1
313 1 28 LYS H 1 28 LYS HB3 3.700 . 3.700 3.737 2.801 3.945 0.245 5 0 "[ . 1 . 2]" 1
314 1 28 LYS H 1 28 LYS QD 6.200 . 6.200 4.263 2.520 5.247 . 0 0 "[ . 1 . 2]" 1
315 1 28 LYS H 1 28 LYS QE 4.900 . 4.900 4.623 3.732 4.999 0.099 1 0 "[ . 1 . 2]" 1
316 1 28 LYS H 1 29 CYS H 5.000 . 5.000 4.264 4.086 4.366 . 0 0 "[ . 1 . 2]" 1
317 1 28 LYS HA 1 28 LYS HB2 2.900 . 2.900 2.947 2.525 3.011 0.111 16 0 "[ . 1 . 2]" 1
318 1 28 LYS HA 1 28 LYS HB3 2.900 . 2.900 2.501 2.254 3.006 0.106 3 0 "[ . 1 . 2]" 1
319 1 28 LYS HA 1 28 LYS NZ 6.000 . 6.000 5.573 4.631 6.227 0.227 10 0 "[ . 1 . 2]" 1
320 1 28 LYS HA 1 29 CYS H 2.400 . 2.400 2.387 2.055 2.613 0.213 10 0 "[ . 1 . 2]" 1
321 1 28 LYS QB 1 29 CYS H 3.300 . 3.300 2.494 1.996 3.180 . 0 0 "[ . 1 . 2]" 1
322 1 28 LYS HB2 1 29 CYS H 3.600 . 3.600 3.593 3.210 3.937 0.337 9 0 "[ . 1 . 2]" 1
323 1 28 LYS HB3 1 29 CYS H 3.600 . 3.600 2.567 2.012 3.379 . 0 0 "[ . 1 . 2]" 1
324 1 28 LYS QD 1 29 CYS H 5.800 . 5.800 4.439 2.480 5.410 . 0 0 "[ . 1 . 2]" 1
325 1 28 LYS QE 1 29 CYS H 7.000 . 7.000 5.489 4.220 6.881 . 0 0 "[ . 1 . 2]" 1
326 1 29 CYS H 1 29 CYS HB2 3.100 . 3.100 2.950 2.507 3.389 0.289 8 0 "[ . 1 . 2]" 1
327 1 29 CYS H 1 29 CYS QB 2.900 . 2.900 2.534 2.251 2.781 . 0 0 "[ . 1 . 2]" 1
328 1 29 CYS H 1 29 CYS HB3 3.100 . 3.100 2.808 2.378 3.235 0.135 6 0 "[ . 1 . 2]" 1
329 1 29 CYS H 1 30 LYS H 4.600 . 4.600 4.363 4.237 4.531 . 0 0 "[ . 1 . 2]" 1
330 1 29 CYS HA 1 29 CYS HB2 3.000 . 3.000 2.533 2.329 2.817 . 0 0 "[ . 1 . 2]" 1
331 1 29 CYS HA 1 29 CYS HB3 3.000 . 3.000 2.955 2.294 3.022 0.022 11 0 "[ . 1 . 2]" 1
332 1 29 CYS HA 1 30 LYS H 2.400 . 2.400 2.156 2.088 2.214 . 0 0 "[ . 1 . 2]" 1
333 1 29 CYS QB 1 30 LYS H 3.800 . 3.800 3.473 3.037 3.593 . 0 0 "[ . 1 . 2]" 1
334 1 29 CYS HB2 1 30 LYS H 4.100 . 4.100 4.047 3.182 4.373 0.273 6 0 "[ . 1 . 2]" 1
335 1 29 CYS HB3 1 30 LYS H 4.100 . 4.100 3.820 3.539 4.160 0.060 3 0 "[ . 1 . 2]" 1
336 1 30 LYS H 1 30 LYS HA 2.900 . 2.900 2.938 2.924 2.949 0.049 13 0 "[ . 1 . 2]" 1
337 1 30 LYS H 1 30 LYS HB2 2.900 . 2.900 2.947 2.632 3.050 0.150 2 0 "[ . 1 . 2]" 1
338 1 30 LYS H 1 30 LYS HB3 2.900 . 2.900 2.843 2.710 3.031 0.131 9 0 "[ . 1 . 2]" 1
339 1 30 LYS H 1 30 LYS NZ 6.000 . 6.000 5.798 5.103 6.124 0.124 18 0 "[ . 1 . 2]" 1
340 1 30 LYS H 1 31 CYS H 4.700 . 4.700 4.243 3.439 4.432 . 0 0 "[ . 1 . 2]" 1
341 1 30 LYS HA 1 30 LYS HB2 2.900 . 2.900 2.566 2.516 2.705 . 0 0 "[ . 1 . 2]" 1
342 1 30 LYS HA 1 30 LYS HB3 2.900 . 2.900 2.971 2.901 2.995 0.095 18 0 "[ . 1 . 2]" 1
343 1 30 LYS HA 1 30 LYS QE 5.400 . 5.400 3.982 2.463 4.938 . 0 0 "[ . 1 . 2]" 1
344 1 30 LYS HA 1 30 LYS NZ 6.000 . 6.000 4.661 3.428 5.630 . 0 0 "[ . 1 . 2]" 1
345 1 30 LYS HA 1 31 CYS H 2.400 . 2.400 2.172 2.001 2.338 . 0 0 "[ . 1 . 2]" 1
346 1 30 LYS QB 1 31 CYS H 3.800 . 3.800 3.546 3.404 3.918 0.118 14 0 "[ . 1 . 2]" 1
347 1 30 LYS HB2 1 30 LYS NZ 6.000 . 6.000 3.588 2.509 4.751 . 0 0 "[ . 1 . 2]" 1
348 1 30 LYS HB2 1 31 CYS H 4.100 . 4.100 4.207 4.088 4.549 0.449 14 0 "[ . 1 . 2]" 1
349 1 30 LYS HB3 1 30 LYS NZ 6.000 . 6.000 3.874 2.478 5.342 . 0 0 "[ . 1 . 2]" 1
350 1 30 LYS HB3 1 31 CYS H 4.100 . 4.100 3.819 3.643 4.276 0.176 14 0 "[ . 1 . 2]" 1
351 1 30 LYS QD 1 31 CYS H 7.000 . 7.000 3.794 2.032 4.712 . 0 0 "[ . 1 . 2]" 1
352 1 30 LYS QG 1 31 CYS H 7.000 . 7.000 2.664 2.129 4.130 . 0 0 "[ . 1 . 2]" 1
353 1 31 CYS H 1 31 CYS HA 2.900 . 2.900 2.879 2.829 2.930 0.030 8 0 "[ . 1 . 2]" 1
354 1 31 CYS H 1 31 CYS HB2 3.100 . 3.100 2.645 2.328 3.312 0.212 3 0 "[ . 1 . 2]" 1
355 1 31 CYS H 1 31 CYS HB3 3.100 . 3.100 3.258 2.322 3.558 0.458 6 0 "[ . 1 . 2]" 1
356 1 31 CYS H 1 32 ASN H 4.900 . 4.900 4.485 4.363 4.552 . 0 0 "[ . 1 . 2]" 1
357 1 31 CYS HA 1 32 ASN H 2.400 . 2.400 2.387 2.206 2.512 0.112 12 0 "[ . 1 . 2]" 1
358 1 31 CYS QB 1 32 ASN H 3.800 . 3.800 2.580 2.017 3.239 . 0 0 "[ . 1 . 2]" 1
359 1 31 CYS QB 1 33 ARG H 4.700 . 4.700 3.458 2.391 3.812 . 0 0 "[ . 1 . 2]" 1
360 1 31 CYS HB2 1 32 ASN H 4.500 . 4.500 3.463 3.216 3.745 . 0 0 "[ . 1 . 2]" 1
361 1 31 CYS HB3 1 32 ASN H 4.500 . 4.500 2.736 2.032 3.982 . 0 0 "[ . 1 . 2]" 1
362 1 32 ASN H 1 32 ASN HB2 3.200 . 3.200 2.711 2.431 3.549 0.349 12 0 "[ . 1 . 2]" 1
363 1 32 ASN H 1 32 ASN HB3 3.200 . 3.200 2.621 2.503 2.772 . 0 0 "[ . 1 . 2]" 1
364 1 32 ASN H 1 32 ASN HD21 6.000 . 6.000 4.671 4.453 4.864 . 0 0 "[ . 1 . 2]" 1
365 1 32 ASN H 1 32 ASN HD22 6.000 . 6.000 5.774 4.445 5.961 . 0 0 "[ . 1 . 2]" 1
366 1 32 ASN HA 1 33 ARG H 2.400 . 2.400 2.434 2.221 2.638 0.238 19 0 "[ . 1 . 2]" 1
367 1 32 ASN HB2 1 33 ARG H 4.700 . 4.700 4.593 4.371 4.632 . 0 0 "[ . 1 . 2]" 1
368 1 32 ASN HB3 1 33 ARG H 4.700 . 4.700 4.400 4.189 4.588 . 0 0 "[ . 1 . 2]" 1
369 1 33 ARG H 1 33 ARG HA 2.900 . 2.900 2.875 2.791 2.939 0.039 15 0 "[ . 1 . 2]" 1
370 1 33 ARG H 1 33 ARG HB2 3.100 . 3.100 2.614 2.146 3.033 . 0 0 "[ . 1 . 2]" 1
371 1 33 ARG H 1 33 ARG QB 2.900 . 2.900 2.293 2.094 2.629 . 0 0 "[ . 1 . 2]" 1
372 1 33 ARG H 1 33 ARG HB3 3.100 . 3.100 2.598 2.391 3.013 . 0 0 "[ . 1 . 2]" 1
373 1 33 ARG H 1 33 ARG NE 6.000 . 6.000 5.267 4.989 6.096 0.096 18 0 "[ . 1 . 2]" 1
374 1 33 ARG H 1 34 CYS H 4.300 . 4.300 4.103 2.848 4.419 0.119 16 0 "[ . 1 . 2]" 1
375 1 33 ARG HA 1 33 ARG NE 6.000 . 6.000 4.225 2.717 5.002 . 0 0 "[ . 1 . 2]" 1
376 1 33 ARG HA 1 34 CYS H 2.500 . 2.500 2.221 2.090 2.533 0.033 6 0 "[ . 1 . 2]" 1
377 1 34 CYS H 1 34 CYS HB2 3.800 . 3.800 3.042 2.504 3.595 . 0 0 "[ . 1 . 2]" 1
378 1 34 CYS H 1 34 CYS QB 3.500 . 3.500 2.668 2.290 3.270 . 0 0 "[ . 1 . 2]" 1
379 1 34 CYS H 1 34 CYS HB3 3.800 . 3.800 3.112 2.549 3.986 0.186 16 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 9:47:12 AM GMT (wattos1)