NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370846 |
1c2u   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1c2u
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 297
_Distance_constraint_stats_list.Viol_count 822
_Distance_constraint_stats_list.Viol_total 955.342
_Distance_constraint_stats_list.Viol_max 0.765
_Distance_constraint_stats_list.Viol_rms 0.0360
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0581
_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 ARG 1.391 0.098 10 0 "[ . 1 . 2]"
1 2 SER 1.014 0.098 10 0 "[ . 1 . 2]"
1 3 ABA 0.757 0.092 18 0 "[ . 1 . 2]"
1 4 ILE 1.181 0.131 15 0 "[ . 1 . 2]"
1 5 ASP 1.134 0.071 20 0 "[ . 1 . 2]"
1 6 THR 0.217 0.061 9 0 "[ . 1 . 2]"
1 7 ILE 0.061 0.043 20 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.095 0.055 8 0 "[ . 1 . 2]"
1 10 SER 0.439 0.058 11 0 "[ . 1 . 2]"
1 11 ARG 2.206 0.098 12 0 "[ . 1 . 2]"
1 12 CYS 2.332 0.092 18 0 "[ . 1 . 2]"
1 13 THR 2.561 0.130 18 0 "[ . 1 . 2]"
1 14 ALA 1.234 0.096 17 0 "[ . 1 . 2]"
1 15 PHE 2.805 0.122 8 0 "[ . 1 . 2]"
1 16 GLN 1.774 0.056 11 0 "[ . 1 . 2]"
1 17 CYS 4.118 0.124 12 0 "[ . 1 . 2]"
1 18 LYS 1.285 0.088 8 0 "[ . 1 . 2]"
1 19 HIS 2.085 0.065 15 0 "[ . 1 . 2]"
1 20 SER 0.867 0.108 20 0 "[ . 1 . 2]"
1 21 ALA 2.612 0.127 5 0 "[ . 1 . 2]"
1 22 LYS 0.875 0.108 20 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 13.233 0.765 15 10 "[ * .**- 1*** +* *2]"
1 25 LEU 6.532 0.153 2 0 "[ . 1 . 2]"
1 26 SER 0.067 0.049 20 0 "[ . 1 . 2]"
1 27 PHE 3.736 0.153 2 0 "[ . 1 . 2]"
1 28 CYS 2.256 0.146 20 0 "[ . 1 . 2]"
1 29 ARG 3.382 0.146 20 0 "[ . 1 . 2]"
1 30 LYS 0.260 0.052 9 0 "[ . 1 . 2]"
1 31 THR 1.891 0.177 7 0 "[ . 1 . 2]"
1 32 CYS 5.101 0.177 7 0 "[ . 1 . 2]"
1 33 GLY 0.008 0.008 11 0 "[ . 1 . 2]"
1 34 THR 1.703 0.111 3 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 ARG HA 1 1 ARG HE 0.000 . 3.700 3.623 3.066 3.747 0.047 15 0 "[ . 1 . 2]" 1
2 1 1 ARG HA 1 2 SER HA 0.000 . 4.300 4.351 4.314 4.398 0.098 10 0 "[ . 1 . 2]" 1
3 1 3 ABA HA 1 12 CYS H 0.000 . 3.000 2.990 2.733 3.092 0.092 18 0 "[ . 1 . 2]" 1
4 1 3 ABA HB2 1 4 ILE H 0.000 . 4.000 3.673 2.271 4.081 0.081 19 0 "[ . 1 . 2]" 1
5 1 4 ILE H 1 4 ILE HB 0.000 . 3.400 3.389 2.934 3.531 0.131 15 0 "[ . 1 . 2]" 1
6 1 4 ILE H 1 4 ILE MD 0.000 . 4.400 3.046 1.613 3.764 . 0 0 "[ . 1 . 2]" 1
7 1 4 ILE H 1 4 ILE QG 0.000 . 5.100 3.620 2.371 4.166 . 0 0 "[ . 1 . 2]" 1
8 1 4 ILE H 1 4 ILE MG 0.000 . 3.400 2.092 1.786 2.742 . 0 0 "[ . 1 . 2]" 1
9 1 4 ILE H 1 5 ASP H 0.000 . 3.500 2.924 1.969 3.566 0.066 14 0 "[ . 1 . 2]" 1
10 1 4 ILE MD 1 5 ASP H 0.000 . 4.000 2.256 1.655 3.425 . 0 0 "[ . 1 . 2]" 1
11 1 4 ILE MD 1 6 THR H 0.000 . 4.000 2.940 1.991 3.308 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE QG 1 5 ASP H 0.000 . 5.200 2.404 1.725 3.873 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE MG 1 5 ASP H 0.000 . 4.000 2.675 1.678 3.461 . 0 0 "[ . 1 . 2]" 1
14 1 5 ASP H 1 5 ASP HA 0.000 . 2.900 2.846 2.294 2.967 0.067 9 0 "[ . 1 . 2]" 1
15 1 5 ASP H 1 5 ASP HB2 0.000 . 3.800 3.080 2.275 3.721 . 0 0 "[ . 1 . 2]" 1
16 1 5 ASP H 1 5 ASP QB 0.000 . 3.500 2.612 2.195 2.893 . 0 0 "[ . 1 . 2]" 1
17 1 5 ASP H 1 5 ASP HB3 0.000 . 3.800 3.088 2.494 3.871 0.071 20 0 "[ . 1 . 2]" 1
18 1 5 ASP H 1 6 THR H 3.000 3.000 102.000 3.247 2.939 3.959 0.061 9 0 "[ . 1 . 2]" 1
19 1 5 ASP H 1 15 PHE QE 0.000 . 6.600 5.448 4.531 5.933 . 0 0 "[ . 1 . 2]" 1
20 1 6 THR H 1 6 THR HB 0.000 . 3.600 3.227 2.362 3.614 0.014 8 0 "[ . 1 . 2]" 1
21 1 6 THR H 1 6 THR MG 0.000 . 4.400 2.619 1.849 3.759 . 0 0 "[ . 1 . 2]" 1
22 1 7 ILE H 1 7 ILE HB 0.000 . 3.800 3.450 2.386 3.843 0.043 20 0 "[ . 1 . 2]" 1
23 1 7 ILE H 1 7 ILE MD 0.000 . 4.400 3.040 1.813 3.811 . 0 0 "[ . 1 . 2]" 1
24 1 7 ILE H 1 7 ILE HG12 0.000 . 4.500 2.707 1.864 4.497 . 0 0 "[ . 1 . 2]" 1
25 1 7 ILE H 1 7 ILE QG 0.000 . 3.980 2.262 1.759 3.421 . 0 0 "[ . 1 . 2]" 1
26 1 7 ILE H 1 7 ILE HG13 0.000 . 4.500 2.849 1.904 3.828 . 0 0 "[ . 1 . 2]" 1
27 1 7 ILE H 1 7 ILE MG 0.000 . 4.400 3.216 1.735 3.767 . 0 0 "[ . 1 . 2]" 1
28 1 7 ILE H 1 28 CYS QB 0.000 . 4.780 4.218 3.705 4.441 . 0 0 "[ . 1 . 2]" 1
29 1 7 ILE QG 1 8 PRO HA 0.000 . 5.980 4.897 4.019 5.465 . 0 0 "[ . 1 . 2]" 1
30 1 8 PRO HA 1 9 LYS H 0.000 . 2.900 2.250 1.998 2.550 . 0 0 "[ . 1 . 2]" 1
31 1 8 PRO HA 1 9 LYS QB 0.000 . 4.800 4.126 3.969 4.262 . 0 0 "[ . 1 . 2]" 1
32 1 8 PRO QB 1 9 LYS H 0.000 . 4.200 3.581 2.375 3.866 . 0 0 "[ . 1 . 2]" 1
33 1 8 PRO QB 1 10 SER H 0.000 . 5.000 3.270 2.667 4.000 . 0 0 "[ . 1 . 2]" 1
34 1 8 PRO QB 1 11 ARG H 0.000 . 5.400 4.540 4.212 4.714 . 0 0 "[ . 1 . 2]" 1
35 1 8 PRO QD 1 9 LYS H 0.000 . 5.300 4.543 3.893 4.835 . 0 0 "[ . 1 . 2]" 1
36 1 8 PRO QG 1 9 LYS H 0.000 . 5.300 4.629 3.779 4.845 . 0 0 "[ . 1 . 2]" 1
37 1 9 LYS H 1 9 LYS QD 0.000 . 5.500 4.451 4.074 4.826 . 0 0 "[ . 1 . 2]" 1
38 1 9 LYS H 1 9 LYS QG 0.000 . 4.400 3.832 2.033 4.041 . 0 0 "[ . 1 . 2]" 1
39 1 9 LYS HA 1 10 SER H 0.000 . 2.900 2.601 2.301 2.955 0.055 8 0 "[ . 1 . 2]" 1
40 1 9 LYS QG 1 10 SER H 0.000 . 4.800 4.128 3.816 4.382 . 0 0 "[ . 1 . 2]" 1
41 1 10 SER HA 1 11 ARG H 0.000 . 3.400 3.377 3.047 3.458 0.058 11 0 "[ . 1 . 2]" 1
42 1 10 SER QB 1 11 ARG H 0.000 . 4.300 1.924 1.745 2.366 . 0 0 "[ . 1 . 2]" 1
43 1 10 SER QB 1 11 ARG HE 0.000 . 4.700 3.767 2.739 4.320 . 0 0 "[ . 1 . 2]" 1
44 1 10 SER QB 1 12 CYS H 0.000 . 4.800 4.066 2.881 4.396 . 0 0 "[ . 1 . 2]" 1
45 1 11 ARG H 1 11 ARG HA 0.000 . 2.900 2.937 2.906 2.955 0.055 13 0 "[ . 1 . 2]" 1
46 1 11 ARG H 1 11 ARG HB2 0.000 . 3.600 3.414 2.514 3.698 0.098 12 0 "[ . 1 . 2]" 1
47 1 11 ARG H 1 11 ARG QB 0.000 . 3.390 2.881 2.430 3.131 . 0 0 "[ . 1 . 2]" 1
48 1 11 ARG H 1 11 ARG HB3 0.000 . 3.600 3.203 2.504 3.540 . 0 0 "[ . 1 . 2]" 1
49 1 11 ARG H 1 11 ARG HE 0.000 . 4.600 3.638 2.132 4.201 . 0 0 "[ . 1 . 2]" 1
50 1 11 ARG H 1 11 ARG QG 0.000 . 4.700 2.762 1.792 4.214 . 0 0 "[ . 1 . 2]" 1
51 1 11 ARG HA 1 11 ARG HE 0.000 . 4.200 4.037 2.646 4.249 0.049 9 0 "[ . 1 . 2]" 1
52 1 11 ARG HA 1 12 CYS H 0.000 . 2.900 2.562 2.259 2.954 0.054 1 0 "[ . 1 . 2]" 1
53 1 11 ARG HA 1 13 THR MG 0.000 . 4.400 3.636 3.471 3.741 . 0 0 "[ . 1 . 2]" 1
54 1 11 ARG QB 1 11 ARG HE 0.000 . 4.780 2.139 1.820 3.190 . 0 0 "[ . 1 . 2]" 1
55 1 11 ARG QG 1 12 CYS H 0.000 . 4.500 3.931 3.550 4.137 . 0 0 "[ . 1 . 2]" 1
56 1 12 CYS CB 1 28 CYS SG 0.000 . 3.100 3.110 3.027 3.187 0.087 20 0 "[ . 1 . 2]" 1
57 1 12 CYS H 1 12 CYS HA 0.000 . 2.900 2.955 2.928 2.974 0.074 9 0 "[ . 1 . 2]" 1
58 1 12 CYS HA 1 17 CYS H 0.000 . 4.000 3.625 3.232 3.921 . 0 0 "[ . 1 . 2]" 1
59 1 12 CYS QB 1 28 CYS QB 0.000 . 5.480 3.654 3.437 3.779 . 0 0 "[ . 1 . 2]" 1
60 1 12 CYS QB 1 31 THR HA 0.000 . 5.100 4.623 4.534 4.690 . 0 0 "[ . 1 . 2]" 1
61 1 12 CYS SG 1 28 CYS CB 0.000 . 3.100 3.103 3.082 3.140 0.040 12 0 "[ . 1 . 2]" 1
62 1 12 CYS SG 1 28 CYS SG 0.000 . 2.100 2.027 2.021 2.035 . 0 0 "[ . 1 . 2]" 1
63 1 13 THR H 1 13 THR HA 0.000 . 2.900 2.889 2.836 2.927 0.027 9 0 "[ . 1 . 2]" 1
64 1 13 THR H 1 13 THR HB 0.000 . 3.800 3.874 3.490 3.930 0.130 18 0 "[ . 1 . 2]" 1
65 1 13 THR H 1 13 THR MG 0.000 . 4.400 2.309 1.648 2.494 . 0 0 "[ . 1 . 2]" 1
66 1 13 THR HB 1 15 PHE H 0.000 . 3.900 3.109 2.985 3.293 . 0 0 "[ . 1 . 2]" 1
67 1 13 THR HB 1 15 PHE QE 0.000 . 6.200 2.860 2.610 3.157 . 0 0 "[ . 1 . 2]" 1
68 1 13 THR HG1 1 14 ALA H 0.000 . 5.000 4.068 3.496 4.464 . 0 0 "[ . 1 . 2]" 1
69 1 13 THR HG1 1 15 PHE H 0.000 . 4.000 2.339 1.815 2.604 . 0 0 "[ . 1 . 2]" 1
70 1 13 THR HG1 1 15 PHE HB2 0.000 . 4.000 2.255 2.007 2.710 . 0 0 "[ . 1 . 2]" 1
71 1 13 THR HG1 1 15 PHE QB 0.000 . 3.800 2.238 1.998 2.673 . 0 0 "[ . 1 . 2]" 1
72 1 13 THR HG1 1 15 PHE HB3 0.000 . 4.000 3.844 3.674 4.090 0.090 19 0 "[ . 1 . 2]" 1
73 1 13 THR HG1 1 15 PHE QE 0.000 . 6.600 4.432 4.237 4.775 . 0 0 "[ . 1 . 2]" 1
74 1 13 THR HG1 1 16 GLN H 0.000 . 3.600 2.812 1.930 3.207 . 0 0 "[ . 1 . 2]" 1
75 1 13 THR HG1 1 16 GLN HA 0.000 . 4.700 4.602 4.209 4.754 0.054 17 0 "[ . 1 . 2]" 1
76 1 13 THR HG1 1 16 GLN QB 0.000 . 5.180 3.746 3.451 3.873 . 0 0 "[ . 1 . 2]" 1
77 1 13 THR HG1 1 16 GLN HG2 0.000 . 3.800 2.263 1.969 2.926 . 0 0 "[ . 1 . 2]" 1
78 1 13 THR HG1 1 16 GLN HG3 0.000 . 3.800 1.878 1.776 2.002 . 0 0 "[ . 1 . 2]" 1
79 1 13 THR MG 1 15 PHE H 0.000 . 4.400 3.668 3.607 3.745 . 0 0 "[ . 1 . 2]" 1
80 1 13 THR MG 1 15 PHE QB 0.000 . 5.280 3.387 3.105 3.502 . 0 0 "[ . 1 . 2]" 1
81 1 13 THR MG 1 15 PHE QE 0.000 . 5.900 3.906 3.793 4.093 . 0 0 "[ . 1 . 2]" 1
82 1 13 THR MG 1 16 GLN H 0.000 . 4.700 3.894 3.801 3.944 . 0 0 "[ . 1 . 2]" 1
83 1 13 THR MG 1 16 GLN HE21 0.000 . 4.900 3.634 3.343 3.792 . 0 0 "[ . 1 . 2]" 1
84 1 13 THR MG 1 16 GLN QE 0.000 . 4.390 3.218 3.056 3.307 . 0 0 "[ . 1 . 2]" 1
85 1 13 THR MG 1 16 GLN HE22 0.000 . 4.900 3.605 3.392 3.894 . 0 0 "[ . 1 . 2]" 1
86 1 14 ALA H 1 14 ALA HA 0.000 . 2.900 2.890 2.777 2.921 0.021 16 0 "[ . 1 . 2]" 1
87 1 14 ALA H 1 15 PHE H 0.000 . 2.900 2.524 2.357 2.786 . 0 0 "[ . 1 . 2]" 1
88 1 14 ALA H 1 15 PHE QE 0.000 . 7.000 3.737 3.433 4.114 . 0 0 "[ . 1 . 2]" 1
89 1 14 ALA H 1 16 GLN H 0.000 . 4.400 4.088 3.916 4.339 . 0 0 "[ . 1 . 2]" 1
90 1 14 ALA HA 1 15 PHE H 0.000 . 3.500 3.289 3.159 3.501 0.001 20 0 "[ . 1 . 2]" 1
91 1 14 ALA HA 1 17 CYS H 0.000 . 4.100 3.949 3.795 4.107 0.007 19 0 "[ . 1 . 2]" 1
92 1 14 ALA HA 1 17 CYS HB2 0.000 . 3.500 3.534 3.387 3.596 0.096 17 0 "[ . 1 . 2]" 1
93 1 14 ALA HA 1 17 CYS QB 0.000 . 3.290 3.022 2.885 3.120 . 0 0 "[ . 1 . 2]" 1
94 1 14 ALA HA 1 17 CYS HB3 0.000 . 3.500 3.295 3.063 3.531 0.031 13 0 "[ . 1 . 2]" 1
95 1 14 ALA MB 1 15 PHE QE 0.000 . 5.900 3.021 2.681 3.366 . 0 0 "[ . 1 . 2]" 1
96 1 14 ALA MB 1 19 HIS HA 0.000 . 5.400 4.000 3.621 4.396 . 0 0 "[ . 1 . 2]" 1
97 1 15 PHE H 1 15 PHE HA 0.000 . 2.900 2.898 2.867 2.913 0.013 17 0 "[ . 1 . 2]" 1
98 1 15 PHE H 1 15 PHE HB2 0.000 . 3.400 2.815 2.760 2.879 . 0 0 "[ . 1 . 2]" 1
99 1 15 PHE H 1 15 PHE HB3 0.000 . 3.400 3.499 3.464 3.522 0.122 8 0 "[ . 1 . 2]" 1
100 1 15 PHE H 1 15 PHE QE 0.000 . 5.300 3.929 3.622 4.075 . 0 0 "[ . 1 . 2]" 1
101 1 15 PHE H 1 16 GLN H 0.000 . 3.000 2.256 1.952 2.691 . 0 0 "[ . 1 . 2]" 1
102 1 15 PHE HA 1 15 PHE QE 0.000 . 5.200 4.749 4.706 4.782 . 0 0 "[ . 1 . 2]" 1
103 1 15 PHE HA 1 19 HIS HE1 0.000 . 3.300 3.323 3.299 3.340 0.040 6 0 "[ . 1 . 2]" 1
104 1 15 PHE QB 1 16 GLN H 0.000 . 3.880 3.441 3.403 3.492 . 0 0 "[ . 1 . 2]" 1
105 1 15 PHE QB 1 19 HIS HE1 0.000 . 4.480 3.763 3.367 3.910 . 0 0 "[ . 1 . 2]" 1
106 1 15 PHE QD 1 17 CYS H 0.000 . 6.400 5.851 5.660 6.002 . 0 0 "[ . 1 . 2]" 1
107 1 15 PHE QE 1 16 GLN HA 0.000 . 9.600 7.895 7.836 7.956 . 0 0 "[ . 1 . 2]" 1
108 1 15 PHE QE 1 16 GLN HG2 0.000 . 6.800 6.072 5.948 6.173 . 0 0 "[ . 1 . 2]" 1
109 1 15 PHE QE 1 16 GLN QG 0.000 . 6.500 5.317 5.230 5.413 . 0 0 "[ . 1 . 2]" 1
110 1 15 PHE QE 1 16 GLN HG3 0.000 . 6.800 5.879 5.655 6.036 . 0 0 "[ . 1 . 2]" 1
111 1 15 PHE QE 1 22 LYS QB 0.000 . 7.180 4.903 4.371 5.285 . 0 0 "[ . 1 . 2]" 1
112 1 16 GLN H 1 16 GLN HA 0.000 . 2.900 2.922 2.907 2.930 0.030 10 0 "[ . 1 . 2]" 1
113 1 16 GLN H 1 16 GLN HB2 0.000 . 4.000 3.531 3.408 3.751 . 0 0 "[ . 1 . 2]" 1
114 1 16 GLN H 1 16 GLN QB 0.000 . 3.610 3.292 3.225 3.371 . 0 0 "[ . 1 . 2]" 1
115 1 16 GLN H 1 16 GLN HB3 0.000 . 4.000 3.943 3.820 3.998 . 0 0 "[ . 1 . 2]" 1
116 1 16 GLN H 1 16 GLN HG2 0.000 . 3.400 3.074 2.877 3.243 . 0 0 "[ . 1 . 2]" 1
117 1 16 GLN H 1 16 GLN HG3 0.000 . 3.400 2.611 2.461 2.958 . 0 0 "[ . 1 . 2]" 1
118 1 16 GLN H 1 17 CYS H 0.000 . 2.900 2.336 2.192 2.431 . 0 0 "[ . 1 . 2]" 1
119 1 16 GLN HA 1 16 GLN QE 0.000 . 4.770 4.064 3.986 4.189 . 0 0 "[ . 1 . 2]" 1
120 1 16 GLN HA 1 16 GLN HG2 0.000 . 3.800 3.134 2.983 3.467 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLN HA 1 16 GLN QG 0.000 . 3.600 2.954 2.867 3.164 . 0 0 "[ . 1 . 2]" 1
122 1 16 GLN HA 1 16 GLN HG3 0.000 . 3.800 3.629 3.526 3.800 . 0 0 "[ . 1 . 2]" 1
123 1 16 GLN HA 1 17 CYS H 0.000 . 3.600 3.524 3.469 3.569 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLN HA 1 19 HIS H 0.000 . 4.000 3.986 3.798 4.056 0.056 11 0 "[ . 1 . 2]" 1
125 1 16 GLN HA 1 19 HIS QB 0.000 . 5.680 5.106 4.983 5.143 . 0 0 "[ . 1 . 2]" 1
126 1 16 GLN HA 1 19 HIS HD2 0.000 . 3.200 3.213 3.112 3.240 0.040 14 0 "[ . 1 . 2]" 1
127 1 16 GLN HA 1 19 HIS HE1 0.000 . 3.700 3.486 3.164 3.710 0.010 20 0 "[ . 1 . 2]" 1
128 1 16 GLN QB 1 17 CYS H 0.000 . 3.880 2.349 2.048 2.616 . 0 0 "[ . 1 . 2]" 1
129 1 16 GLN QB 1 18 LYS H 0.000 . 5.280 4.574 4.407 4.663 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLN QB 1 19 HIS H 0.000 . 6.180 5.361 5.133 5.517 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLN QG 1 17 CYS H 0.000 . 3.650 2.537 2.051 2.857 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLN QG 1 18 LYS H 0.000 . 5.480 4.854 4.524 5.009 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLN QG 1 19 HIS HE1 0.000 . 5.080 4.376 4.277 4.493 . 0 0 "[ . 1 . 2]" 1
134 1 16 GLN HG2 1 17 CYS H 0.000 . 3.900 3.872 3.609 3.952 0.052 9 0 "[ . 1 . 2]" 1
135 1 16 GLN HG3 1 17 CYS H 0.000 . 3.900 2.575 2.063 2.935 . 0 0 "[ . 1 . 2]" 1
136 1 17 CYS CB 1 32 CYS SG 0.000 . 3.100 3.091 3.033 3.126 0.026 3 0 "[ . 1 . 2]" 1
137 1 17 CYS H 1 17 CYS HA 0.000 . 2.900 2.689 2.635 2.774 . 0 0 "[ . 1 . 2]" 1
138 1 17 CYS H 1 17 CYS HB2 0.000 . 3.400 2.395 2.260 2.493 . 0 0 "[ . 1 . 2]" 1
139 1 17 CYS H 1 17 CYS HB3 0.000 . 3.400 3.311 3.215 3.439 0.039 13 0 "[ . 1 . 2]" 1
140 1 17 CYS H 1 18 LYS H 0.000 . 2.900 2.935 2.893 2.970 0.070 18 0 "[ . 1 . 2]" 1
141 1 17 CYS H 1 31 THR MG 0.000 . 5.600 4.436 3.901 4.570 . 0 0 "[ . 1 . 2]" 1
142 1 17 CYS QB 1 18 LYS H 0.000 . 2.980 2.264 2.032 2.572 . 0 0 "[ . 1 . 2]" 1
143 1 17 CYS QB 1 25 LEU QD 0.000 . 7.450 4.161 3.859 4.509 . 0 0 "[ . 1 . 2]" 1
144 1 17 CYS QB 1 29 ARG HA 0.000 . 6.080 5.280 4.877 5.463 . 0 0 "[ . 1 . 2]" 1
145 1 17 CYS HB2 1 18 LYS H 0.000 . 3.200 3.137 2.911 3.236 0.036 20 0 "[ . 1 . 2]" 1
146 1 17 CYS HB3 1 18 LYS H 0.000 . 3.200 2.333 2.067 2.737 . 0 0 "[ . 1 . 2]" 1
147 1 17 CYS SG 1 32 CYS CB 0.000 . 3.100 3.179 3.102 3.224 0.124 12 0 "[ . 1 . 2]" 1
148 1 17 CYS SG 1 32 CYS SG 0.000 . 2.100 2.012 2.010 2.016 . 0 0 "[ . 1 . 2]" 1
149 1 18 LYS H 1 18 LYS HA 0.000 . 2.900 2.852 2.800 2.907 0.007 7 0 "[ . 1 . 2]" 1
150 1 18 LYS H 1 18 LYS HB2 0.000 . 3.400 3.374 3.034 3.488 0.088 8 0 "[ . 1 . 2]" 1
151 1 18 LYS H 1 18 LYS HB3 0.000 . 3.400 3.163 2.975 3.387 . 0 0 "[ . 1 . 2]" 1
152 1 18 LYS H 1 18 LYS QD 0.000 . 5.400 4.525 4.105 4.641 . 0 0 "[ . 1 . 2]" 1
153 1 18 LYS H 1 18 LYS QE 0.000 . 6.200 5.183 4.600 5.651 . 0 0 "[ . 1 . 2]" 1
154 1 18 LYS H 1 18 LYS QG 0.000 . 5.100 4.381 4.227 4.512 . 0 0 "[ . 1 . 2]" 1
155 1 18 LYS HA 1 18 LYS QD 0.000 . 5.100 2.106 1.902 2.541 . 0 0 "[ . 1 . 2]" 1
156 1 18 LYS QB 1 19 HIS QB 0.000 . 6.950 5.432 5.355 5.487 . 0 0 "[ . 1 . 2]" 1
157 1 18 LYS QB 1 25 LEU QD 0.000 . 5.450 2.813 2.310 3.169 . 0 0 "[ . 1 . 2]" 1
158 1 18 LYS QB 1 31 THR HB 0.000 . 5.880 5.189 4.987 5.328 . 0 0 "[ . 1 . 2]" 1
159 1 18 LYS QG 1 25 LEU H 0.000 . 6.100 5.475 5.175 5.584 . 0 0 "[ . 1 . 2]" 1
160 1 19 HIS H 1 19 HIS HB2 0.000 . 3.500 2.545 2.436 2.727 . 0 0 "[ . 1 . 2]" 1
161 1 19 HIS H 1 19 HIS HB3 0.000 . 3.500 3.548 3.532 3.565 0.065 15 0 "[ . 1 . 2]" 1
162 1 19 HIS H 1 19 HIS HD2 0.000 . 3.900 2.266 2.112 2.618 . 0 0 "[ . 1 . 2]" 1
163 1 19 HIS H 1 19 HIS HE1 0.000 . 5.600 5.082 4.868 5.204 . 0 0 "[ . 1 . 2]" 1
164 1 19 HIS HA 1 19 HIS HD2 0.000 . 4.600 4.105 4.020 4.287 . 0 0 "[ . 1 . 2]" 1
165 1 19 HIS HA 1 19 HIS HE1 0.000 . 4.900 4.771 4.467 4.907 0.007 17 0 "[ . 1 . 2]" 1
166 1 19 HIS HA 1 22 LYS QB 0.000 . 5.480 4.251 3.649 4.571 . 0 0 "[ . 1 . 2]" 1
167 1 19 HIS HA 1 22 LYS QD 0.000 . 5.700 4.554 3.610 4.838 . 0 0 "[ . 1 . 2]" 1
168 1 19 HIS QB 1 19 HIS HE1 0.000 . 4.880 4.319 4.286 4.343 . 0 0 "[ . 1 . 2]" 1
169 1 19 HIS HB2 1 19 HIS HE1 0.000 . 5.300 5.125 5.082 5.169 . 0 0 "[ . 1 . 2]" 1
170 1 19 HIS HB3 1 19 HIS HE1 0.000 . 5.300 4.650 4.617 4.680 . 0 0 "[ . 1 . 2]" 1
171 1 20 SER H 1 20 SER HB2 0.000 . 4.200 3.105 2.926 3.530 . 0 0 "[ . 1 . 2]" 1
172 1 20 SER H 1 20 SER HB3 0.000 . 4.200 3.337 2.921 3.474 . 0 0 "[ . 1 . 2]" 1
173 1 20 SER HA 1 22 LYS H 0.000 . 3.600 3.643 3.607 3.708 0.108 20 0 "[ . 1 . 2]" 1
174 1 20 SER QB 1 22 LYS H 0.000 . 5.680 5.143 5.082 5.179 . 0 0 "[ . 1 . 2]" 1
175 1 20 SER QB 1 23 TYR QE 0.000 . 7.580 3.370 3.005 3.960 . 0 0 "[ . 1 . 2]" 1
176 1 21 ALA H 1 22 LYS H 0.000 . 3.000 1.612 1.528 1.745 . 0 0 "[ . 1 . 2]" 1
177 1 21 ALA H 1 24 ARG H 0.000 . 4.700 4.780 4.712 4.827 0.127 5 0 "[ . 1 . 2]" 1
178 1 21 ALA HA 1 22 LYS H 0.000 . 3.400 3.318 3.219 3.405 0.005 2 0 "[ . 1 . 2]" 1
179 1 21 ALA HA 1 24 ARG H 0.000 . 4.400 3.146 2.847 3.426 . 0 0 "[ . 1 . 2]" 1
180 1 21 ALA HA 1 24 ARG QB 0.000 . 4.280 2.190 2.035 2.371 . 0 0 "[ . 1 . 2]" 1
181 1 21 ALA HA 1 24 ARG HE 0.000 . 3.500 2.346 1.757 3.462 . 0 0 "[ . 1 . 2]" 1
182 1 21 ALA HA 1 25 LEU H 0.000 . 4.200 4.250 4.207 4.316 0.116 6 0 "[ . 1 . 2]" 1
183 1 21 ALA MB 1 23 TYR QD 0.000 . 6.400 5.028 4.924 5.078 . 0 0 "[ . 1 . 2]" 1
184 1 21 ALA MB 1 24 ARG QH2 0.000 . 5.500 3.077 1.926 3.808 . 0 0 "[ . 1 . 2]" 1
185 1 22 LYS H 1 22 LYS HA 0.000 . 2.900 2.833 2.800 2.890 . 0 0 "[ . 1 . 2]" 1
186 1 22 LYS H 1 22 LYS HB2 0.000 . 3.900 3.636 3.579 3.742 . 0 0 "[ . 1 . 2]" 1
187 1 22 LYS H 1 22 LYS QB 0.000 . 3.550 2.469 2.319 2.658 . 0 0 "[ . 1 . 2]" 1
188 1 22 LYS H 1 22 LYS HB3 0.000 . 3.900 2.513 2.348 2.720 . 0 0 "[ . 1 . 2]" 1
189 1 22 LYS H 1 22 LYS QD 0.000 . 5.300 3.900 3.665 4.170 . 0 0 "[ . 1 . 2]" 1
190 1 22 LYS H 1 22 LYS QG 0.000 . 4.900 2.253 1.902 2.514 . 0 0 "[ . 1 . 2]" 1
191 1 22 LYS H 1 23 TYR QD 0.000 . 5.900 3.589 3.259 4.139 . 0 0 "[ . 1 . 2]" 1
192 1 22 LYS H 1 23 TYR QE 0.000 . 6.500 3.750 3.412 4.183 . 0 0 "[ . 1 . 2]" 1
193 1 22 LYS HA 1 24 ARG QB 0.000 . 5.380 4.699 4.619 4.816 . 0 0 "[ . 1 . 2]" 1
194 1 22 LYS HA 1 25 LEU MD1 0.000 . 4.900 3.960 3.930 4.006 . 0 0 "[ . 1 . 2]" 1
195 1 22 LYS HA 1 25 LEU QD 0.000 . 4.190 1.970 1.862 2.225 . 0 0 "[ . 1 . 2]" 1
196 1 22 LYS HA 1 25 LEU MD2 0.000 . 4.900 1.975 1.865 2.237 . 0 0 "[ . 1 . 2]" 1
197 1 22 LYS QB 1 23 TYR QD 0.000 . 6.480 4.135 3.965 4.352 . 0 0 "[ . 1 . 2]" 1
198 1 22 LYS QB 1 27 PHE QE 0.000 . 6.180 4.156 3.579 4.775 . 0 0 "[ . 1 . 2]" 1
199 1 22 LYS QD 1 23 TYR H 0.000 . 6.100 4.296 3.849 4.621 . 0 0 "[ . 1 . 2]" 1
200 1 22 LYS QD 1 23 TYR QB 0.000 . 6.280 4.705 4.596 4.805 . 0 0 "[ . 1 . 2]" 1
201 1 22 LYS QD 1 23 TYR QD 0.000 . 7.700 3.991 3.795 4.259 . 0 0 "[ . 1 . 2]" 1
202 1 22 LYS QD 1 23 TYR QE 0.000 . 7.700 5.081 4.571 5.493 . 0 0 "[ . 1 . 2]" 1
203 1 22 LYS QD 1 27 PHE QB 0.000 . 6.680 5.131 4.910 5.305 . 0 0 "[ . 1 . 2]" 1
204 1 22 LYS QD 1 27 PHE QE 0.000 . 7.000 3.652 2.955 4.304 . 0 0 "[ . 1 . 2]" 1
205 1 22 LYS QG 1 23 TYR QD 0.000 . 7.400 2.106 1.960 2.285 . 0 0 "[ . 1 . 2]" 1
206 1 22 LYS QG 1 23 TYR QE 0.000 . 8.500 3.263 2.872 3.581 . 0 0 "[ . 1 . 2]" 1
207 1 22 LYS QG 1 27 PHE QE 0.000 . 7.200 5.094 4.749 5.572 . 0 0 "[ . 1 . 2]" 1
208 1 23 TYR QD 1 24 ARG H 0.000 . 6.000 3.738 3.025 3.967 . 0 0 "[ . 1 . 2]" 1
209 1 23 TYR QD 1 25 LEU QD 0.000 . 7.570 4.882 4.763 5.072 . 0 0 "[ . 1 . 2]" 1
210 1 24 ARG H 1 24 ARG HA 0.000 . 2.900 2.937 2.905 2.953 0.053 7 0 "[ . 1 . 2]" 1
211 1 24 ARG H 1 24 ARG HB2 0.000 . 3.500 2.261 2.023 2.391 . 0 0 "[ . 1 . 2]" 1
212 1 24 ARG H 1 24 ARG HB3 0.000 . 3.500 3.402 3.178 3.523 0.023 18 0 "[ . 1 . 2]" 1
213 1 24 ARG H 1 24 ARG QD 0.000 . 4.600 3.918 3.818 4.018 . 0 0 "[ . 1 . 2]" 1
214 1 24 ARG H 1 24 ARG QG 0.000 . 5.000 3.462 3.061 4.056 . 0 0 "[ . 1 . 2]" 1
215 1 24 ARG H 1 24 ARG QH2 0.000 . 6.000 5.540 4.538 6.577 0.577 2 2 "[ + . 1 . -2]" 1
216 1 24 ARG H 1 25 LEU H 0.000 . 3.000 2.267 2.114 2.417 . 0 0 "[ . 1 . 2]" 1
217 1 24 ARG HA 1 24 ARG QD 0.000 . 4.700 3.765 2.958 4.077 . 0 0 "[ . 1 . 2]" 1
218 1 24 ARG HA 1 24 ARG HE 0.000 . 4.900 4.869 4.659 4.975 0.075 9 0 "[ . 1 . 2]" 1
219 1 24 ARG HA 1 24 ARG QH2 0.000 . 5.700 5.262 4.015 6.465 0.765 15 10 "[ * .**- 1*** +* *2]" 1
220 1 24 ARG HA 1 25 LEU H 0.000 . 3.500 3.577 3.539 3.608 0.108 2 0 "[ . 1 . 2]" 1
221 1 24 ARG QB 1 24 ARG QH2 0.000 . 5.480 2.912 1.702 4.142 . 0 0 "[ . 1 . 2]" 1
222 1 24 ARG QB 1 25 LEU HA 0.000 . 4.980 3.924 3.730 4.037 . 0 0 "[ . 1 . 2]" 1
223 1 24 ARG QB 1 26 SER H 0.000 . 5.580 4.746 4.575 5.060 . 0 0 "[ . 1 . 2]" 1
224 1 24 ARG HB2 1 24 ARG HE 0.000 . 3.900 2.345 2.124 2.714 . 0 0 "[ . 1 . 2]" 1
225 1 24 ARG HB2 1 24 ARG QH2 0.000 . 5.700 3.650 2.567 4.665 . 0 0 "[ . 1 . 2]" 1
226 1 24 ARG HB3 1 24 ARG HE 0.000 . 3.900 2.931 2.417 3.506 . 0 0 "[ . 1 . 2]" 1
227 1 24 ARG HB3 1 24 ARG QH2 0.000 . 5.700 3.260 1.723 4.944 . 0 0 "[ . 1 . 2]" 1
228 1 24 ARG QD 1 25 LEU QD 0.000 . 6.570 4.078 3.882 4.167 . 0 0 "[ . 1 . 2]" 1
229 1 24 ARG HE 1 25 LEU QD 0.000 . 5.070 3.142 2.766 3.488 . 0 0 "[ . 1 . 2]" 1
230 1 25 LEU H 1 25 LEU HB2 0.000 . 3.400 3.368 3.213 3.454 0.054 7 0 "[ . 1 . 2]" 1
231 1 25 LEU H 1 25 LEU HB3 0.000 . 3.400 3.492 3.435 3.547 0.147 3 0 "[ . 1 . 2]" 1
232 1 25 LEU H 1 25 LEU MD1 0.000 . 4.400 1.911 1.801 2.051 . 0 0 "[ . 1 . 2]" 1
233 1 25 LEU H 1 25 LEU MD2 0.000 . 4.400 1.789 1.682 1.944 . 0 0 "[ . 1 . 2]" 1
234 1 25 LEU H 1 27 PHE H 0.000 . 4.400 4.501 4.454 4.553 0.153 2 0 "[ . 1 . 2]" 1
235 1 25 LEU HA 1 25 LEU MD1 0.000 . 4.400 2.846 2.655 3.196 . 0 0 "[ . 1 . 2]" 1
236 1 25 LEU HA 1 25 LEU MD2 0.000 . 4.400 3.672 3.640 3.725 . 0 0 "[ . 1 . 2]" 1
237 1 25 LEU HA 1 25 LEU HG 0.000 . 4.200 4.085 3.900 4.214 0.014 7 0 "[ . 1 . 2]" 1
238 1 25 LEU QB 1 26 SER H 0.000 . 4.880 2.249 1.816 2.500 . 0 0 "[ . 1 . 2]" 1
239 1 25 LEU QB 1 28 CYS QB 0.000 . 6.650 5.049 4.289 5.228 . 0 0 "[ . 1 . 2]" 1
240 1 25 LEU QD 1 26 SER H 0.000 . 3.900 1.722 1.630 1.815 . 0 0 "[ . 1 . 2]" 1
241 1 25 LEU QD 1 27 PHE H 0.000 . 5.570 2.532 1.963 2.898 . 0 0 "[ . 1 . 2]" 1
242 1 25 LEU QD 1 29 ARG HE 0.000 . 5.570 2.974 1.885 4.142 . 0 0 "[ . 1 . 2]" 1
243 1 25 LEU QD 1 30 LYS H 0.000 . 5.270 3.938 3.789 4.028 . 0 0 "[ . 1 . 2]" 1
244 1 25 LEU MD1 1 26 SER H 0.000 . 4.400 3.636 3.521 3.699 . 0 0 "[ . 1 . 2]" 1
245 1 25 LEU MD2 1 26 SER H 0.000 . 4.400 1.725 1.632 1.819 . 0 0 "[ . 1 . 2]" 1
246 1 26 SER H 1 26 SER HB2 0.000 . 4.200 3.264 2.864 3.946 . 0 0 "[ . 1 . 2]" 1
247 1 26 SER H 1 26 SER HB3 0.000 . 4.200 4.018 3.840 4.123 . 0 0 "[ . 1 . 2]" 1
248 1 26 SER H 1 27 PHE H 0.000 . 2.600 2.117 1.843 2.446 . 0 0 "[ . 1 . 2]" 1
249 1 26 SER HA 1 27 PHE H 0.000 . 3.600 3.444 3.341 3.501 . 0 0 "[ . 1 . 2]" 1
250 1 26 SER QB 1 27 PHE QE 0.000 . 6.040 3.919 3.487 4.384 . 0 0 "[ . 1 . 2]" 1
251 1 26 SER HB2 1 27 PHE H 0.000 . 3.500 2.431 2.220 2.689 . 0 0 "[ . 1 . 2]" 1
252 1 26 SER HB2 1 27 PHE QE 0.000 . 6.400 5.381 4.046 5.772 . 0 0 "[ . 1 . 2]" 1
253 1 26 SER HB3 1 27 PHE H 0.000 . 3.500 3.190 2.810 3.549 0.049 20 0 "[ . 1 . 2]" 1
254 1 26 SER HB3 1 27 PHE QE 0.000 . 6.400 4.101 3.541 5.144 . 0 0 "[ . 1 . 2]" 1
255 1 27 PHE H 1 27 PHE HA 0.000 . 2.900 2.893 2.850 2.931 0.031 20 0 "[ . 1 . 2]" 1
256 1 27 PHE H 1 27 PHE HB2 0.000 . 3.800 2.922 2.761 2.996 . 0 0 "[ . 1 . 2]" 1
257 1 27 PHE H 1 27 PHE QB 0.000 . 3.500 2.841 2.694 2.904 . 0 0 "[ . 1 . 2]" 1
258 1 27 PHE H 1 27 PHE HB3 0.000 . 3.800 3.876 3.753 3.911 0.111 17 0 "[ . 1 . 2]" 1
259 1 27 PHE H 1 28 CYS H 0.000 . 2.900 2.344 2.069 2.905 0.005 18 0 "[ . 1 . 2]" 1
260 1 27 PHE HA 1 27 PHE QE 0.000 . 4.700 4.395 4.272 4.527 . 0 0 "[ . 1 . 2]" 1
261 1 28 CYS H 1 28 CYS HB2 0.000 . 4.100 2.209 2.085 2.345 . 0 0 "[ . 1 . 2]" 1
262 1 28 CYS H 1 28 CYS QB 0.000 . 3.850 2.182 2.064 2.311 . 0 0 "[ . 1 . 2]" 1
263 1 28 CYS H 1 28 CYS HB3 0.000 . 4.100 3.393 3.211 3.493 . 0 0 "[ . 1 . 2]" 1
264 1 28 CYS QB 1 29 ARG H 0.000 . 3.610 2.983 2.796 3.250 . 0 0 "[ . 1 . 2]" 1
265 1 28 CYS QB 1 29 ARG HA 0.000 . 4.750 3.871 3.715 4.012 . 0 0 "[ . 1 . 2]" 1
266 1 28 CYS QB 1 29 ARG QG 0.000 . 6.680 5.157 4.796 5.314 . 0 0 "[ . 1 . 2]" 1
267 1 28 CYS QB 1 32 CYS H 0.000 . 5.580 4.561 4.206 4.709 . 0 0 "[ . 1 . 2]" 1
268 1 28 CYS HB2 1 29 ARG H 0.000 . 4.000 4.084 4.013 4.146 0.146 20 0 "[ . 1 . 2]" 1
269 1 28 CYS HB2 1 29 ARG HA 0.000 . 5.600 5.164 5.041 5.320 . 0 0 "[ . 1 . 2]" 1
270 1 28 CYS HB2 1 32 CYS HB2 3.000 3.000 102.000 4.235 3.857 4.477 . 0 0 "[ . 1 . 2]" 1
271 1 28 CYS HB3 1 29 ARG H 0.000 . 4.000 3.069 2.851 3.399 . 0 0 "[ . 1 . 2]" 1
272 1 28 CYS HB3 1 29 ARG HA 0.000 . 5.600 4.000 3.820 4.151 . 0 0 "[ . 1 . 2]" 1
273 1 29 ARG H 1 29 ARG HA 0.000 . 2.900 2.861 2.803 2.944 0.044 16 0 "[ . 1 . 2]" 1
274 1 29 ARG H 1 29 ARG HB2 0.000 . 3.400 3.226 2.769 3.431 0.031 5 0 "[ . 1 . 2]" 1
275 1 29 ARG H 1 29 ARG HB3 0.000 . 3.400 3.358 3.128 3.483 0.083 20 0 "[ . 1 . 2]" 1
276 1 29 ARG H 1 30 LYS H 0.000 . 3.300 2.912 2.096 3.352 0.052 9 0 "[ . 1 . 2]" 1
277 1 29 ARG HA 1 29 ARG HE 0.000 . 4.500 4.305 3.465 4.562 0.062 15 0 "[ . 1 . 2]" 1
278 1 29 ARG HA 1 32 CYS QB 0.000 . 3.780 2.326 1.950 3.068 . 0 0 "[ . 1 . 2]" 1
279 1 29 ARG HB2 1 29 ARG HE 0.000 . 3.500 3.290 2.317 3.588 0.088 9 0 "[ . 1 . 2]" 1
280 1 29 ARG HB3 1 29 ARG HE 0.000 . 3.500 2.161 1.942 2.436 . 0 0 "[ . 1 . 2]" 1
281 1 30 LYS H 1 30 LYS QD 0.000 . 4.900 4.322 4.090 4.451 . 0 0 "[ . 1 . 2]" 1
282 1 31 THR H 1 31 THR HB 0.000 . 4.000 2.337 2.081 2.501 . 0 0 "[ . 1 . 2]" 1
283 1 31 THR H 1 31 THR MG 0.000 . 4.400 3.738 3.469 3.805 . 0 0 "[ . 1 . 2]" 1
284 1 31 THR H 1 32 CYS H 0.000 . 3.500 2.091 1.731 2.548 . 0 0 "[ . 1 . 2]" 1
285 1 31 THR HA 1 32 CYS H 0.000 . 3.500 3.120 2.884 3.224 . 0 0 "[ . 1 . 2]" 1
286 1 31 THR HB 1 32 CYS H 0.000 . 3.000 3.095 3.044 3.177 0.177 7 0 "[ . 1 . 2]" 1
287 1 32 CYS H 1 32 CYS HB2 0.000 . 4.100 2.718 2.456 3.097 . 0 0 "[ . 1 . 2]" 1
288 1 32 CYS H 1 32 CYS QB 0.000 . 3.810 2.614 2.412 2.812 . 0 0 "[ . 1 . 2]" 1
289 1 32 CYS H 1 32 CYS HB3 0.000 . 4.100 3.493 3.196 3.647 . 0 0 "[ . 1 . 2]" 1
290 1 32 CYS HA 1 34 THR H 0.000 . 4.000 4.074 4.011 4.111 0.111 3 0 "[ . 1 . 2]" 1
291 1 32 CYS QB 1 33 GLY H 0.000 . 3.820 2.740 1.843 3.267 . 0 0 "[ . 1 . 2]" 1
292 1 32 CYS HB2 1 33 GLY H 0.000 . 4.300 3.137 1.858 4.075 . 0 0 "[ . 1 . 2]" 1
293 1 32 CYS HB2 1 34 THR MG 0.000 . 4.000 2.390 1.901 2.918 . 0 0 "[ . 1 . 2]" 1
294 1 32 CYS HB3 1 33 GLY H 0.000 . 4.300 3.437 2.477 4.308 0.008 11 0 "[ . 1 . 2]" 1
295 1 32 CYS HB3 1 34 THR MG 0.000 . 4.000 2.461 1.925 3.158 . 0 0 "[ . 1 . 2]" 1
296 1 34 THR H 1 34 THR HB 0.000 . 3.400 3.052 2.383 3.481 0.081 6 0 "[ . 1 . 2]" 1
297 1 34 THR H 1 34 THR MG 0.000 . 4.400 2.189 1.842 2.656 . 0 0 "[ . 1 . 2]" 1
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