NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451300 |
2roo   |
11044 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2roo
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 527
_Distance_constraint_stats_list.Viol_count 675
_Distance_constraint_stats_list.Viol_total 1185.961
_Distance_constraint_stats_list.Viol_max 0.603
_Distance_constraint_stats_list.Viol_rms 0.0284
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0878
_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 CYS 1.743 0.170 6 0 "[ . 1 . 2]"
1 2 GLY 2.754 0.289 11 0 "[ . 1 . 2]"
1 3 SER 2.371 0.603 15 1 "[ . 1 + 2]"
1 4 LYS 1.536 0.603 15 1 "[ . 1 + 2]"
1 5 ARG 1.259 0.184 3 0 "[ . 1 . 2]"
1 6 ALA 2.275 0.254 7 0 "[ . 1 . 2]"
1 7 TRP 1.971 0.168 17 0 "[ . 1 . 2]"
1 8 CYS 3.002 0.179 17 0 "[ . 1 . 2]"
1 9 LYS 0.545 0.125 18 0 "[ . 1 . 2]"
1 10 GLU 3.080 0.270 16 0 "[ . 1 . 2]"
1 11 LYS 2.253 0.270 16 0 "[ . 1 . 2]"
1 12 LYS 1.623 0.271 14 0 "[ . 1 . 2]"
1 13 ASP 3.340 0.207 7 0 "[ . 1 . 2]"
1 14 CYS 4.136 0.256 6 0 "[ . 1 . 2]"
1 15 CYS 2.178 0.392 20 0 "[ . 1 . 2]"
1 16 CYS 5.155 0.392 20 0 "[ . 1 . 2]"
1 17 GLY 2.010 0.262 8 0 "[ . 1 . 2]"
1 18 TYR 3.735 0.183 14 0 "[ . 1 . 2]"
1 19 ASN 0.893 0.109 12 0 "[ . 1 . 2]"
1 20 CYS 2.862 0.212 13 0 "[ . 1 . 2]"
1 21 VAL 0.486 0.109 12 0 "[ . 1 . 2]"
1 22 TYR 0.617 0.119 10 0 "[ . 1 . 2]"
1 23 ALA 1.304 0.274 2 0 "[ . 1 . 2]"
1 24 TRP 1.326 0.274 2 0 "[ . 1 . 2]"
1 25 TYR 0.238 0.079 16 0 "[ . 1 . 2]"
1 26 ASN 0.720 0.170 4 0 "[ . 1 . 2]"
1 27 GLN 0.651 0.082 18 0 "[ . 1 . 2]"
1 28 GLN 0.653 0.112 17 0 "[ . 1 . 2]"
1 29 SER 1.626 0.168 17 0 "[ . 1 . 2]"
1 30 SER 5.184 0.252 12 0 "[ . 1 . 2]"
1 31 CYS 1.038 0.139 19 0 "[ . 1 . 2]"
1 32 GLU 3.672 0.264 13 0 "[ . 1 . 2]"
1 33 ARG 1.343 0.154 10 0 "[ . 1 . 2]"
1 34 LYS 6.439 0.245 14 0 "[ . 1 . 2]"
1 35 TRP 3.157 0.251 9 0 "[ . 1 . 2]"
1 36 LYS 3.342 0.251 9 0 "[ . 1 . 2]"
1 37 TYR 2.373 0.221 8 0 "[ . 1 . 2]"
1 38 LEU 4.350 0.236 1 0 "[ . 1 . 2]"
1 39 PHE 2.281 0.213 19 0 "[ . 1 . 2]"
1 40 THR 1.681 0.213 19 0 "[ . 1 . 2]"
1 41 GLY 0.443 0.129 12 0 "[ . 1 . 2]"
1 42 GLU 0.502 0.189 11 0 "[ . 1 . 2]"
1 43 CYS 1.777 0.273 13 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 CYS HA 1 2 GLY H 4.000 . 5.000 2.305 2.175 2.783 . 0 0 "[ . 1 . 2]" 1
2 1 1 CYS HB2 1 2 GLY H 4.000 . 5.000 3.253 2.553 4.491 . 0 0 "[ . 1 . 2]" 1
3 1 1 CYS HB2 1 14 CYS HA 4.000 . 6.000 3.272 2.384 5.839 . 0 0 "[ . 1 . 2]" 1
4 1 1 CYS HB2 1 15 CYS H 4.000 . 5.000 2.405 1.774 4.587 0.026 7 0 "[ . 1 . 2]" 1
5 1 1 CYS HB2 1 15 CYS HA 4.000 . 5.000 2.472 2.024 4.882 . 0 0 "[ . 1 . 2]" 1
6 1 1 CYS HB3 1 2 GLY H 4.000 . 5.000 4.222 3.629 4.605 . 0 0 "[ . 1 . 2]" 1
7 1 1 CYS HB3 1 14 CYS HA 4.000 . 5.000 4.594 3.450 5.106 0.106 8 0 "[ . 1 . 2]" 1
8 1 1 CYS HB3 1 15 CYS H 4.000 . 5.000 3.974 3.414 4.466 . 0 0 "[ . 1 . 2]" 1
9 1 1 CYS HB3 1 15 CYS HA 4.000 . 5.000 3.188 2.936 4.001 . 0 0 "[ . 1 . 2]" 1
10 1 1 CYS HB3 1 16 CYS H 4.000 . 5.000 5.064 4.868 5.170 0.170 6 0 "[ . 1 . 2]" 1
11 1 2 GLY H 1 2 GLY HA3 3.000 . 3.300 2.358 2.318 2.385 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLY H 1 6 ALA MB 4.000 . 6.000 4.365 3.771 4.849 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLY H 1 8 CYS HA 3.000 . 3.300 3.376 3.117 3.479 0.179 17 0 "[ . 1 . 2]" 1
14 1 2 GLY H 1 14 CYS HA 3.000 . 3.300 2.510 1.889 3.071 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLY H 1 15 CYS H 4.000 . 5.000 3.268 2.884 3.652 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLY HA2 1 3 SER H 3.000 . 3.300 2.501 2.186 3.589 0.289 11 0 "[ . 1 . 2]" 1
17 1 2 GLY HA2 1 6 ALA MB 3.000 . 3.300 2.282 2.011 2.921 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLY HA2 1 15 CYS H 4.000 . 6.000 4.665 4.280 5.625 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLY HA3 1 3 SER H 4.000 . 5.000 3.062 2.290 3.510 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLY HA3 1 6 ALA MB 3.000 . 3.300 2.566 1.905 3.311 0.011 15 0 "[ . 1 . 2]" 1
21 1 2 GLY HA3 1 8 CYS HA 4.000 . 5.000 3.485 2.980 4.118 . 0 0 "[ . 1 . 2]" 1
22 1 2 GLY HA3 1 14 CYS HA 4.000 . 5.000 3.778 2.957 4.700 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLY HA3 1 15 CYS H 4.000 . 5.000 4.242 3.764 5.056 0.056 7 0 "[ . 1 . 2]" 1
24 1 3 SER H 1 4 LYS H 4.000 . 6.000 4.402 4.052 4.630 . 0 0 "[ . 1 . 2]" 1
25 1 3 SER H 1 6 ALA MB 2.500 . 2.700 2.159 1.779 2.954 0.254 7 0 "[ . 1 . 2]" 1
26 1 3 SER HA 1 4 LYS H 4.000 . 5.000 2.751 2.235 3.129 . 0 0 "[ . 1 . 2]" 1
27 1 3 SER HA 1 6 ALA MB 4.000 . 6.000 3.941 3.693 4.270 . 0 0 "[ . 1 . 2]" 1
28 1 3 SER HA 1 14 CYS HA 4.000 . 6.000 5.097 4.258 5.913 . 0 0 "[ . 1 . 2]" 1
29 1 3 SER HA 1 15 CYS H 4.000 . 5.000 3.517 2.821 4.227 . 0 0 "[ . 1 . 2]" 1
30 1 3 SER HA 1 18 TYR QD 4.000 . 5.000 3.110 2.384 3.749 . 0 0 "[ . 1 . 2]" 1
31 1 3 SER QB 1 4 LYS H 3.000 . 3.300 2.403 1.753 3.903 0.603 15 1 "[ . 1 + 2]" 1
32 1 3 SER QB 1 18 TYR QD 4.000 . 6.000 4.146 3.410 5.142 . 0 0 "[ . 1 . 2]" 1
33 1 3 SER QB 1 18 TYR QE 4.000 . 6.000 3.719 2.843 4.796 . 0 0 "[ . 1 . 2]" 1
34 1 4 LYS H 1 4 LYS HA 3.000 . 3.300 2.742 2.343 2.865 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS H 1 4 LYS HB2 3.000 . 3.300 2.465 2.166 3.210 . 0 0 "[ . 1 . 2]" 1
36 1 4 LYS H 1 4 LYS HB3 3.000 . 3.300 2.842 2.225 3.314 0.014 6 0 "[ . 1 . 2]" 1
37 1 4 LYS H 1 4 LYS QD 4.000 . 5.000 4.462 4.056 5.023 0.023 15 0 "[ . 1 . 2]" 1
38 1 4 LYS H 1 4 LYS HG2 4.000 . 5.000 4.458 4.137 4.866 . 0 0 "[ . 1 . 2]" 1
39 1 4 LYS H 1 4 LYS HG3 4.000 . 5.000 4.367 3.738 4.950 . 0 0 "[ . 1 . 2]" 1
40 1 4 LYS H 1 5 ARG H 4.000 . 5.000 4.465 3.603 4.692 . 0 0 "[ . 1 . 2]" 1
41 1 4 LYS H 1 18 TYR QE 3.000 . 3.300 3.022 2.287 3.399 0.099 16 0 "[ . 1 . 2]" 1
42 1 4 LYS HA 1 4 LYS HB2 3.000 . 3.300 2.549 2.293 2.819 . 0 0 "[ . 1 . 2]" 1
43 1 4 LYS HA 1 4 LYS HG2 4.000 . 5.000 2.767 2.076 3.551 . 0 0 "[ . 1 . 2]" 1
44 1 4 LYS HA 1 5 ARG H 2.500 . 2.700 2.228 2.161 2.633 . 0 0 "[ . 1 . 2]" 1
45 1 4 LYS HA 1 6 ALA H 4.000 . 5.000 4.942 4.576 5.139 0.139 16 0 "[ . 1 . 2]" 1
46 1 4 LYS HA 1 18 TYR QE 4.000 . 5.000 3.279 2.249 4.160 . 0 0 "[ . 1 . 2]" 1
47 1 4 LYS HA 1 32 GLU HA 4.000 . 5.000 3.107 2.297 4.374 . 0 0 "[ . 1 . 2]" 1
48 1 4 LYS HB2 1 5 ARG H 4.000 . 5.000 4.395 3.987 4.665 . 0 0 "[ . 1 . 2]" 1
49 1 4 LYS HB2 1 18 TYR QE 4.000 . 5.000 2.400 2.034 3.304 . 0 0 "[ . 1 . 2]" 1
50 1 4 LYS HB3 1 5 ARG H 4.000 . 5.000 4.154 3.683 4.571 . 0 0 "[ . 1 . 2]" 1
51 1 4 LYS HB3 1 18 TYR QE 4.000 . 5.000 3.781 2.400 4.476 . 0 0 "[ . 1 . 2]" 1
52 1 4 LYS QD 1 18 TYR QE 4.000 . 5.000 3.834 2.541 4.909 . 0 0 "[ . 1 . 2]" 1
53 1 4 LYS HG2 1 5 ARG H 4.000 . 5.000 3.166 2.132 4.563 . 0 0 "[ . 1 . 2]" 1
54 1 4 LYS HG2 1 18 TYR QE 4.000 . 5.000 4.293 2.843 5.010 0.010 11 0 "[ . 1 . 2]" 1
55 1 5 ARG H 1 5 ARG HA 2.500 . 2.700 2.356 2.304 2.590 . 0 0 "[ . 1 . 2]" 1
56 1 5 ARG H 1 5 ARG HB2 4.000 . 5.000 3.451 2.945 4.256 . 0 0 "[ . 1 . 2]" 1
57 1 5 ARG H 1 5 ARG HB3 4.000 . 5.000 3.759 2.874 4.116 . 0 0 "[ . 1 . 2]" 1
58 1 5 ARG H 1 5 ARG HG2 4.000 . 5.000 3.879 2.408 5.100 0.100 4 0 "[ . 1 . 2]" 1
59 1 5 ARG H 1 5 ARG HG3 4.000 . 5.000 4.045 2.618 4.798 . 0 0 "[ . 1 . 2]" 1
60 1 5 ARG H 1 6 ALA H 3.000 . 3.300 3.311 2.658 3.484 0.184 3 0 "[ . 1 . 2]" 1
61 1 5 ARG H 1 6 ALA MB 4.000 . 6.000 4.290 3.509 4.549 . 0 0 "[ . 1 . 2]" 1
62 1 5 ARG H 1 18 TYR QD 4.000 . 6.000 4.759 3.922 5.444 . 0 0 "[ . 1 . 2]" 1
63 1 5 ARG H 1 31 CYS H 4.000 . 5.000 4.540 3.798 5.056 0.056 4 0 "[ . 1 . 2]" 1
64 1 5 ARG H 1 32 GLU HA 4.000 . 5.000 3.261 1.978 5.052 0.052 16 0 "[ . 1 . 2]" 1
65 1 5 ARG HA 1 5 ARG HB3 3.000 . 3.300 2.701 2.268 3.039 . 0 0 "[ . 1 . 2]" 1
66 1 5 ARG HA 1 5 ARG QD 4.000 . 5.000 3.730 2.182 4.511 . 0 0 "[ . 1 . 2]" 1
67 1 5 ARG HA 1 5 ARG HG2 4.000 . 5.000 2.983 2.173 3.741 . 0 0 "[ . 1 . 2]" 1
68 1 5 ARG HA 1 5 ARG HG3 4.000 . 5.000 3.102 2.218 4.078 . 0 0 "[ . 1 . 2]" 1
69 1 5 ARG HA 1 6 ALA H 4.000 . 5.000 2.341 2.184 2.464 . 0 0 "[ . 1 . 2]" 1
70 1 5 ARG HB2 1 5 ARG HE 4.000 . 5.000 3.585 2.205 4.945 . 0 0 "[ . 1 . 2]" 1
71 1 5 ARG HB2 1 6 ALA H 4.000 . 5.000 4.494 3.984 4.722 . 0 0 "[ . 1 . 2]" 1
72 1 5 ARG HB3 1 5 ARG HE 4.000 . 5.000 3.588 1.767 4.850 0.033 17 0 "[ . 1 . 2]" 1
73 1 5 ARG HB3 1 6 ALA H 4.000 . 5.000 4.338 4.102 4.649 . 0 0 "[ . 1 . 2]" 1
74 1 6 ALA H 1 6 ALA MB 3.000 . 3.300 2.884 2.800 2.965 . 0 0 "[ . 1 . 2]" 1
75 1 6 ALA H 1 30 SER HB2 4.000 . 5.000 3.507 2.035 4.691 . 0 0 "[ . 1 . 2]" 1
76 1 6 ALA H 1 30 SER HB3 4.000 . 5.000 4.258 3.574 4.918 . 0 0 "[ . 1 . 2]" 1
77 1 6 ALA H 1 31 CYS H 4.000 . 5.000 2.586 1.970 3.368 . 0 0 "[ . 1 . 2]" 1
78 1 6 ALA H 1 31 CYS HB2 4.000 . 6.000 3.683 3.133 4.921 . 0 0 "[ . 1 . 2]" 1
79 1 6 ALA H 1 31 CYS HB3 4.000 . 6.000 4.872 4.488 5.147 . 0 0 "[ . 1 . 2]" 1
80 1 6 ALA HA 1 7 TRP H 2.500 . 2.700 2.178 2.120 2.289 . 0 0 "[ . 1 . 2]" 1
81 1 6 ALA MB 1 7 TRP H 3.000 . 3.300 3.021 2.662 3.254 . 0 0 "[ . 1 . 2]" 1
82 1 6 ALA MB 1 7 TRP QB 4.000 . 6.000 4.117 3.838 4.394 . 0 0 "[ . 1 . 2]" 1
83 1 6 ALA MB 1 31 CYS H 4.000 . 5.000 3.583 3.062 4.291 . 0 0 "[ . 1 . 2]" 1
84 1 6 ALA MB 1 31 CYS HB2 4.000 . 5.000 3.168 2.509 4.412 . 0 0 "[ . 1 . 2]" 1
85 1 6 ALA MB 1 31 CYS HB3 4.000 . 5.000 4.337 3.725 4.797 . 0 0 "[ . 1 . 2]" 1
86 1 7 TRP H 1 7 TRP HA 3.000 . 3.300 2.758 2.637 2.799 . 0 0 "[ . 1 . 2]" 1
87 1 7 TRP H 1 7 TRP QB 2.500 . 2.700 2.225 2.123 2.307 . 0 0 "[ . 1 . 2]" 1
88 1 7 TRP H 1 7 TRP HD1 4.000 . 5.000 4.980 4.797 5.102 0.102 10 0 "[ . 1 . 2]" 1
89 1 7 TRP H 1 8 CYS H 4.000 . 5.000 4.616 4.486 4.671 . 0 0 "[ . 1 . 2]" 1
90 1 7 TRP HA 1 7 TRP HD1 4.000 . 5.000 2.857 2.403 3.337 . 0 0 "[ . 1 . 2]" 1
91 1 7 TRP HA 1 8 CYS H 2.500 . 2.700 2.203 2.151 2.289 . 0 0 "[ . 1 . 2]" 1
92 1 7 TRP HA 1 29 SER HB2 4.000 . 5.000 4.040 3.478 4.683 . 0 0 "[ . 1 . 2]" 1
93 1 7 TRP HA 1 29 SER HB3 4.000 . 5.000 5.028 4.670 5.168 0.168 17 0 "[ . 1 . 2]" 1
94 1 7 TRP HA 1 31 CYS H 4.000 . 5.000 4.122 3.528 5.057 0.057 19 0 "[ . 1 . 2]" 1
95 1 7 TRP QB 1 7 TRP HD1 3.000 . 3.300 2.745 2.543 2.954 . 0 0 "[ . 1 . 2]" 1
96 1 7 TRP HD1 1 28 GLN HB2 4.000 . 5.000 4.450 2.544 5.112 0.112 17 0 "[ . 1 . 2]" 1
97 1 7 TRP HD1 1 28 GLN HB3 4.000 . 6.000 3.963 2.281 5.574 . 0 0 "[ . 1 . 2]" 1
98 1 7 TRP HD1 1 28 GLN QG 4.000 . 6.000 3.089 2.044 5.184 . 0 0 "[ . 1 . 2]" 1
99 1 7 TRP HE1 1 8 CYS H 4.000 . 5.000 4.169 3.249 4.821 . 0 0 "[ . 1 . 2]" 1
100 1 7 TRP HZ2 1 9 LYS HB2 4.000 . 5.000 3.474 2.593 4.971 . 0 0 "[ . 1 . 2]" 1
101 1 7 TRP HZ2 1 9 LYS HB3 4.000 . 5.000 4.798 4.313 5.067 0.067 20 0 "[ . 1 . 2]" 1
102 1 7 TRP HZ2 1 9 LYS QG 4.000 . 6.000 3.007 2.175 4.376 . 0 0 "[ . 1 . 2]" 1
103 1 8 CYS H 1 8 CYS HB2 4.000 . 5.000 3.605 2.388 3.825 . 0 0 "[ . 1 . 2]" 1
104 1 8 CYS H 1 8 CYS HB3 4.000 . 5.000 2.914 2.318 3.681 . 0 0 "[ . 1 . 2]" 1
105 1 8 CYS H 1 9 LYS H 4.000 . 6.000 4.485 4.390 4.557 . 0 0 "[ . 1 . 2]" 1
106 1 8 CYS H 1 29 SER HA 4.000 . 5.000 4.454 4.028 5.029 0.029 18 0 "[ . 1 . 2]" 1
107 1 8 CYS H 1 29 SER HB3 4.000 . 6.000 3.584 3.162 4.378 . 0 0 "[ . 1 . 2]" 1
108 1 8 CYS H 1 30 SER HA 4.000 . 5.000 3.490 2.501 4.408 . 0 0 "[ . 1 . 2]" 1
109 1 8 CYS H 1 31 CYS H 4.000 . 6.000 4.313 3.508 5.470 . 0 0 "[ . 1 . 2]" 1
110 1 8 CYS HA 1 8 CYS HB2 3.000 . 3.300 2.445 2.243 2.947 . 0 0 "[ . 1 . 2]" 1
111 1 8 CYS HA 1 8 CYS HB3 3.000 . 3.300 2.673 2.249 3.019 . 0 0 "[ . 1 . 2]" 1
112 1 8 CYS HA 1 9 LYS H 2.500 . 2.700 2.340 2.213 2.549 . 0 0 "[ . 1 . 2]" 1
113 1 8 CYS HA 1 13 ASP HB2 4.000 . 5.000 4.962 4.369 5.154 0.154 20 0 "[ . 1 . 2]" 1
114 1 8 CYS HA 1 13 ASP HB3 4.000 . 5.000 3.776 2.956 4.732 . 0 0 "[ . 1 . 2]" 1
115 1 8 CYS HA 1 15 CYS H 4.000 . 6.000 5.960 5.610 6.158 0.158 8 0 "[ . 1 . 2]" 1
116 1 8 CYS HB2 1 9 LYS H 4.000 . 5.000 3.282 2.648 4.214 . 0 0 "[ . 1 . 2]" 1
117 1 8 CYS HB2 1 10 GLU H 4.000 . 5.000 3.821 2.708 5.007 0.007 16 0 "[ . 1 . 2]" 1
118 1 8 CYS HB3 1 9 LYS H 4.000 . 5.000 4.018 2.985 4.402 . 0 0 "[ . 1 . 2]" 1
119 1 9 LYS H 1 9 LYS HB2 3.000 . 3.300 2.614 2.148 3.099 . 0 0 "[ . 1 . 2]" 1
120 1 9 LYS H 1 9 LYS HB3 3.000 . 3.300 2.752 2.278 3.425 0.125 18 0 "[ . 1 . 2]" 1
121 1 9 LYS H 1 9 LYS QG 4.000 . 5.000 3.939 3.179 4.184 . 0 0 "[ . 1 . 2]" 1
122 1 9 LYS H 1 10 GLU H 2.500 . 2.700 2.237 1.847 2.363 . 0 0 "[ . 1 . 2]" 1
123 1 9 LYS H 1 13 ASP H 4.000 . 5.000 4.717 4.285 5.102 0.102 7 0 "[ . 1 . 2]" 1
124 1 9 LYS H 1 13 ASP HB2 4.000 . 5.000 2.990 2.372 3.303 . 0 0 "[ . 1 . 2]" 1
125 1 9 LYS H 1 13 ASP HB3 4.000 . 5.000 2.187 1.797 3.103 0.003 1 0 "[ . 1 . 2]" 1
126 1 9 LYS HA 1 10 GLU H 4.000 . 5.000 3.528 3.470 3.570 . 0 0 "[ . 1 . 2]" 1
127 1 9 LYS HB2 1 10 GLU H 4.000 . 5.000 3.661 2.715 4.098 . 0 0 "[ . 1 . 2]" 1
128 1 9 LYS HB3 1 10 GLU H 3.000 . 3.300 2.718 2.407 3.166 . 0 0 "[ . 1 . 2]" 1
129 1 9 LYS QG 1 10 GLU QG 4.000 . 5.000 3.250 2.021 4.859 . 0 0 "[ . 1 . 2]" 1
130 1 10 GLU H 1 10 GLU HB2 4.000 . 5.000 3.180 2.782 3.944 . 0 0 "[ . 1 . 2]" 1
131 1 10 GLU H 1 10 GLU HB3 4.000 . 5.000 3.789 2.959 4.026 . 0 0 "[ . 1 . 2]" 1
132 1 10 GLU H 1 10 GLU QG 4.000 . 5.000 3.110 2.238 4.370 . 0 0 "[ . 1 . 2]" 1
133 1 10 GLU H 1 11 LYS H 4.000 . 5.000 4.369 4.227 4.473 . 0 0 "[ . 1 . 2]" 1
134 1 10 GLU H 1 13 ASP HB2 4.000 . 5.000 1.880 1.698 2.759 0.102 10 0 "[ . 1 . 2]" 1
135 1 10 GLU H 1 13 ASP HB3 3.000 . 3.300 2.211 1.687 3.153 0.113 1 0 "[ . 1 . 2]" 1
136 1 10 GLU HA 1 10 GLU HB2 3.000 . 3.300 2.886 2.395 3.044 . 0 0 "[ . 1 . 2]" 1
137 1 10 GLU HA 1 11 LYS H 2.500 . 2.700 2.623 2.435 2.821 0.121 15 0 "[ . 1 . 2]" 1
138 1 10 GLU HA 1 20 CYS HB2 4.000 . 5.000 4.577 3.927 5.098 0.098 13 0 "[ . 1 . 2]" 1
139 1 10 GLU HA 1 20 CYS HB3 4.000 . 5.000 4.346 3.290 5.100 0.100 3 0 "[ . 1 . 2]" 1
140 1 10 GLU HB2 1 11 LYS H 3.000 . 3.300 3.028 1.851 3.570 0.270 16 0 "[ . 1 . 2]" 1
141 1 10 GLU HB2 1 12 LYS H 4.000 . 5.000 3.246 2.471 4.799 . 0 0 "[ . 1 . 2]" 1
142 1 10 GLU HB2 1 13 ASP H 4.000 . 5.000 3.026 2.050 4.344 . 0 0 "[ . 1 . 2]" 1
143 1 10 GLU HB3 1 11 LYS H 3.000 . 3.300 2.504 1.882 3.353 0.053 20 0 "[ . 1 . 2]" 1
144 1 10 GLU HB3 1 13 ASP H 4.000 . 5.000 3.786 2.638 4.703 . 0 0 "[ . 1 . 2]" 1
145 1 10 GLU QG 1 12 LYS H 4.000 . 5.000 4.254 1.908 5.020 0.020 5 0 "[ . 1 . 2]" 1
146 1 10 GLU QG 1 13 ASP H 4.000 . 5.000 3.887 1.794 4.950 0.006 12 0 "[ . 1 . 2]" 1
147 1 11 LYS H 1 11 LYS HB2 3.000 . 3.300 2.623 2.432 3.356 0.056 4 0 "[ . 1 . 2]" 1
148 1 11 LYS H 1 11 LYS HB3 2.500 . 2.700 2.493 2.086 2.669 . 0 0 "[ . 1 . 2]" 1
149 1 11 LYS H 1 12 LYS H 3.000 . 3.300 2.747 2.618 2.889 . 0 0 "[ . 1 . 2]" 1
150 1 11 LYS H 1 13 ASP H 4.000 . 6.000 3.943 3.713 4.223 . 0 0 "[ . 1 . 2]" 1
151 1 11 LYS HA 1 11 LYS HB2 3.000 . 3.300 2.446 2.254 2.537 . 0 0 "[ . 1 . 2]" 1
152 1 11 LYS HA 1 13 ASP H 4.000 . 5.000 4.232 3.776 4.790 . 0 0 "[ . 1 . 2]" 1
153 1 11 LYS HA 1 19 ASN HA 4.000 . 5.000 4.481 3.717 5.025 0.025 3 0 "[ . 1 . 2]" 1
154 1 11 LYS HA 1 20 CYS H 4.000 . 5.000 3.026 2.310 3.418 . 0 0 "[ . 1 . 2]" 1
155 1 11 LYS HA 1 20 CYS HA 4.000 . 5.000 4.669 4.125 5.082 0.082 7 0 "[ . 1 . 2]" 1
156 1 11 LYS HA 1 20 CYS HB2 4.000 . 5.000 2.493 1.965 3.154 . 0 0 "[ . 1 . 2]" 1
157 1 11 LYS HA 1 20 CYS HB3 3.000 . 3.300 2.806 2.038 3.423 0.123 19 0 "[ . 1 . 2]" 1
158 1 11 LYS HB2 1 12 LYS H 4.000 . 5.000 3.889 3.687 4.280 . 0 0 "[ . 1 . 2]" 1
159 1 11 LYS HB2 1 20 CYS H 4.000 . 5.000 4.529 3.465 5.110 0.110 3 0 "[ . 1 . 2]" 1
160 1 12 LYS H 1 12 LYS HA 3.000 . 3.300 2.909 2.849 2.956 . 0 0 "[ . 1 . 2]" 1
161 1 12 LYS H 1 12 LYS HB2 3.000 . 3.300 2.757 2.100 3.458 0.158 4 0 "[ . 1 . 2]" 1
162 1 12 LYS H 1 12 LYS HB3 3.000 . 3.300 2.805 2.074 3.545 0.245 14 0 "[ . 1 . 2]" 1
163 1 12 LYS H 1 13 ASP H 3.000 . 3.300 2.523 2.328 2.740 . 0 0 "[ . 1 . 2]" 1
164 1 12 LYS HA 1 12 LYS HB2 2.500 . 2.700 2.599 2.265 2.971 0.271 14 0 "[ . 1 . 2]" 1
165 1 12 LYS HA 1 12 LYS HB3 3.000 . 3.300 2.801 2.256 3.035 . 0 0 "[ . 1 . 2]" 1
166 1 12 LYS HA 1 13 ASP H 4.000 . 5.000 3.459 3.257 3.590 . 0 0 "[ . 1 . 2]" 1
167 1 12 LYS HB2 1 13 ASP H 4.000 . 5.000 3.904 3.235 4.472 . 0 0 "[ . 1 . 2]" 1
168 1 12 LYS HB3 1 13 ASP H 4.000 . 5.000 3.448 2.472 4.563 . 0 0 "[ . 1 . 2]" 1
169 1 13 ASP H 1 13 ASP HB2 4.000 . 5.000 2.272 2.070 2.536 . 0 0 "[ . 1 . 2]" 1
170 1 13 ASP H 1 13 ASP HB3 3.000 . 3.300 3.126 2.677 3.507 0.207 7 0 "[ . 1 . 2]" 1
171 1 13 ASP H 1 14 CYS H 3.000 . 3.300 2.724 2.464 2.991 . 0 0 "[ . 1 . 2]" 1
172 1 13 ASP HA 1 14 CYS H 4.000 . 5.000 3.376 3.221 3.506 . 0 0 "[ . 1 . 2]" 1
173 1 13 ASP HB2 1 14 CYS H 4.000 . 5.000 3.922 3.311 4.343 . 0 0 "[ . 1 . 2]" 1
174 1 13 ASP HB3 1 14 CYS H 4.000 . 5.000 3.671 3.029 4.123 . 0 0 "[ . 1 . 2]" 1
175 1 13 ASP HB3 1 14 CYS HA 4.000 . 5.000 4.285 4.047 4.499 . 0 0 "[ . 1 . 2]" 1
176 1 14 CYS H 1 14 CYS HB2 3.000 . 3.300 2.473 2.183 3.018 . 0 0 "[ . 1 . 2]" 1
177 1 14 CYS H 1 14 CYS HB3 3.000 . 3.300 3.125 2.326 3.556 0.256 6 0 "[ . 1 . 2]" 1
178 1 14 CYS H 1 15 CYS H 4.000 . 5.000 4.581 4.452 4.638 . 0 0 "[ . 1 . 2]" 1
179 1 14 CYS HA 1 15 CYS H 2.500 . 2.700 2.277 2.141 2.433 . 0 0 "[ . 1 . 2]" 1
180 1 14 CYS HB2 1 15 CYS H 4.000 . 5.000 4.136 3.803 4.368 . 0 0 "[ . 1 . 2]" 1
181 1 14 CYS HB2 1 18 TYR H 4.000 . 6.000 5.083 4.304 6.052 0.052 19 0 "[ . 1 . 2]" 1
182 1 14 CYS HB2 1 18 TYR HB3 4.000 . 5.000 4.653 3.810 5.091 0.091 12 0 "[ . 1 . 2]" 1
183 1 14 CYS HB2 1 18 TYR QD 4.000 . 6.000 5.729 5.286 6.183 0.183 14 0 "[ . 1 . 2]" 1
184 1 14 CYS HB2 1 31 CYS HB3 4.000 . 5.000 4.442 4.144 4.960 . 0 0 "[ . 1 . 2]" 1
185 1 14 CYS HB3 1 15 CYS H 4.000 . 5.000 3.422 2.828 4.123 . 0 0 "[ . 1 . 2]" 1
186 1 14 CYS HB3 1 18 TYR H 4.000 . 6.000 4.146 3.644 4.908 . 0 0 "[ . 1 . 2]" 1
187 1 14 CYS HB3 1 18 TYR HB2 4.000 . 5.000 2.936 2.068 4.564 . 0 0 "[ . 1 . 2]" 1
188 1 15 CYS H 1 15 CYS HB2 3.000 . 3.300 2.294 2.074 2.681 . 0 0 "[ . 1 . 2]" 1
189 1 15 CYS H 1 15 CYS HB3 4.000 . 5.000 3.436 3.215 3.547 . 0 0 "[ . 1 . 2]" 1
190 1 15 CYS H 1 16 CYS H 4.000 . 5.000 4.604 4.495 4.666 . 0 0 "[ . 1 . 2]" 1
191 1 15 CYS H 1 18 TYR HB2 4.000 . 5.000 3.444 2.938 3.806 . 0 0 "[ . 1 . 2]" 1
192 1 15 CYS H 1 18 TYR HB3 4.000 . 5.000 4.711 3.746 5.082 0.082 8 0 "[ . 1 . 2]" 1
193 1 15 CYS H 1 18 TYR QD 4.000 . 5.000 3.918 3.431 4.246 . 0 0 "[ . 1 . 2]" 1
194 1 15 CYS HA 1 15 CYS HB2 3.000 . 3.300 2.944 2.797 3.031 . 0 0 "[ . 1 . 2]" 1
195 1 15 CYS HA 1 15 CYS HB3 3.000 . 3.300 2.663 2.403 2.918 . 0 0 "[ . 1 . 2]" 1
196 1 15 CYS HA 1 16 CYS H 2.500 . 2.700 2.279 2.111 2.702 0.002 8 0 "[ . 1 . 2]" 1
197 1 15 CYS HB2 1 16 CYS H 4.000 . 5.000 4.096 3.501 4.519 . 0 0 "[ . 1 . 2]" 1
198 1 15 CYS HB2 1 18 TYR QD 4.000 . 5.000 2.695 2.102 4.035 . 0 0 "[ . 1 . 2]" 1
199 1 15 CYS HB2 1 18 TYR QE 4.000 . 5.000 3.882 2.820 5.148 0.148 8 0 "[ . 1 . 2]" 1
200 1 15 CYS HB3 1 16 CYS H 3.000 . 3.300 3.066 2.067 3.692 0.392 20 0 "[ . 1 . 2]" 1
201 1 15 CYS HB3 1 18 TYR QD 4.000 . 6.000 2.838 2.244 3.375 . 0 0 "[ . 1 . 2]" 1
202 1 15 CYS HB3 1 18 TYR QE 4.000 . 6.000 3.545 2.962 4.437 . 0 0 "[ . 1 . 2]" 1
203 1 16 CYS H 1 16 CYS HB2 3.000 . 3.300 2.369 2.068 3.213 . 0 0 "[ . 1 . 2]" 1
204 1 16 CYS H 1 16 CYS HB3 3.000 . 3.300 3.248 2.264 3.560 0.260 6 0 "[ . 1 . 2]" 1
205 1 16 CYS H 1 17 GLY H 4.000 . 5.000 4.545 3.853 4.724 . 0 0 "[ . 1 . 2]" 1
206 1 16 CYS H 1 18 TYR QD 4.000 . 6.000 4.484 3.529 5.496 . 0 0 "[ . 1 . 2]" 1
207 1 16 CYS HA 1 17 GLY H 2.500 . 2.700 2.294 2.094 2.962 0.262 8 0 "[ . 1 . 2]" 1
208 1 16 CYS HA 1 18 TYR H 4.000 . 5.000 3.422 3.120 4.332 . 0 0 "[ . 1 . 2]" 1
209 1 16 CYS HA 1 43 CYS HB2 4.000 . 5.000 3.853 2.483 5.096 0.096 6 0 "[ . 1 . 2]" 1
210 1 16 CYS HB2 1 17 GLY H 4.000 . 5.000 4.221 3.202 4.533 . 0 0 "[ . 1 . 2]" 1
211 1 16 CYS HB3 1 17 GLY H 4.000 . 5.000 3.525 1.804 4.510 . 0 0 "[ . 1 . 2]" 1
212 1 16 CYS HB3 1 43 CYS HB2 4.000 . 5.000 4.292 3.615 5.150 0.150 10 0 "[ . 1 . 2]" 1
213 1 17 GLY H 1 17 GLY HA3 3.000 . 3.300 2.908 2.387 3.000 . 0 0 "[ . 1 . 2]" 1
214 1 17 GLY H 1 18 TYR H 2.500 . 2.700 2.357 1.724 2.870 0.170 8 0 "[ . 1 . 2]" 1
215 1 17 GLY H 1 43 CYS HA 4.000 . 5.000 4.372 1.801 5.186 0.186 18 0 "[ . 1 . 2]" 1
216 1 17 GLY H 1 43 CYS HB2 4.000 . 5.000 3.534 2.181 5.137 0.137 17 0 "[ . 1 . 2]" 1
217 1 17 GLY H 1 43 CYS HB3 4.000 . 5.000 2.872 1.771 4.754 0.029 6 0 "[ . 1 . 2]" 1
218 1 17 GLY HA2 1 18 TYR H 4.000 . 5.000 3.312 2.887 3.509 . 0 0 "[ . 1 . 2]" 1
219 1 17 GLY HA2 1 18 TYR QD 4.000 . 5.000 4.903 4.613 5.162 0.162 7 0 "[ . 1 . 2]" 1
220 1 17 GLY HA3 1 18 TYR H 4.000 . 5.000 3.291 2.965 3.501 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLY HA3 1 18 TYR QD 4.000 . 5.000 3.969 3.487 5.141 0.141 8 0 "[ . 1 . 2]" 1
222 1 18 TYR H 1 18 TYR HB2 3.000 . 3.300 2.620 2.363 2.803 . 0 0 "[ . 1 . 2]" 1
223 1 18 TYR H 1 18 TYR HB3 4.000 . 5.000 3.802 3.626 3.911 . 0 0 "[ . 1 . 2]" 1
224 1 18 TYR H 1 18 TYR QD 4.000 . 5.000 2.919 2.356 3.511 . 0 0 "[ . 1 . 2]" 1
225 1 18 TYR H 1 19 ASN H 4.000 . 5.000 4.528 4.461 4.659 . 0 0 "[ . 1 . 2]" 1
226 1 18 TYR H 1 31 CYS HB3 4.000 . 6.000 5.518 4.944 6.003 0.003 16 0 "[ . 1 . 2]" 1
227 1 18 TYR H 1 43 CYS HB3 4.000 . 5.000 4.671 3.843 5.108 0.108 15 0 "[ . 1 . 2]" 1
228 1 18 TYR HA 1 19 ASN H 2.500 . 2.700 2.273 2.201 2.337 . 0 0 "[ . 1 . 2]" 1
229 1 18 TYR HA 1 32 GLU H 4.000 . 5.000 4.104 3.704 4.473 . 0 0 "[ . 1 . 2]" 1
230 1 18 TYR HA 1 33 ARG HA 4.000 . 5.000 2.643 2.239 3.416 . 0 0 "[ . 1 . 2]" 1
231 1 18 TYR HB2 1 19 ASN H 4.000 . 5.000 3.998 3.801 4.201 . 0 0 "[ . 1 . 2]" 1
232 1 18 TYR HB2 1 31 CYS HB3 4.000 . 5.000 3.056 2.234 3.575 . 0 0 "[ . 1 . 2]" 1
233 1 18 TYR HB2 1 32 GLU H 4.000 . 5.000 4.762 4.221 5.023 0.023 20 0 "[ . 1 . 2]" 1
234 1 18 TYR HB3 1 19 ASN H 4.000 . 5.000 2.944 2.673 3.214 . 0 0 "[ . 1 . 2]" 1
235 1 18 TYR HB3 1 31 CYS HA 4.000 . 5.000 3.919 3.564 4.198 . 0 0 "[ . 1 . 2]" 1
236 1 18 TYR QD 1 19 ASN H 4.000 . 5.000 3.828 3.469 4.362 . 0 0 "[ . 1 . 2]" 1
237 1 18 TYR QD 1 31 CYS HB2 4.000 . 5.000 4.691 3.693 5.094 0.094 7 0 "[ . 1 . 2]" 1
238 1 18 TYR QD 1 31 CYS HB3 4.000 . 5.000 3.657 2.740 4.077 . 0 0 "[ . 1 . 2]" 1
239 1 18 TYR QD 1 32 GLU H 4.000 . 5.000 4.023 3.019 4.661 . 0 0 "[ . 1 . 2]" 1
240 1 18 TYR QD 1 32 GLU HA 4.000 . 5.000 3.235 2.374 3.958 . 0 0 "[ . 1 . 2]" 1
241 1 18 TYR QD 1 33 ARG H 4.000 . 5.000 2.940 2.030 4.445 . 0 0 "[ . 1 . 2]" 1
242 1 18 TYR QD 1 33 ARG HA 4.000 . 5.000 3.114 2.053 4.340 . 0 0 "[ . 1 . 2]" 1
243 1 18 TYR QD 1 33 ARG HB2 4.000 . 5.000 3.711 2.383 4.970 . 0 0 "[ . 1 . 2]" 1
244 1 18 TYR QD 1 33 ARG HB3 4.000 . 5.000 3.856 2.993 4.830 . 0 0 "[ . 1 . 2]" 1
245 1 18 TYR QE 1 32 GLU HA 4.000 . 5.000 4.664 3.637 5.048 0.048 9 0 "[ . 1 . 2]" 1
246 1 18 TYR QE 1 33 ARG H 4.000 . 5.000 3.839 3.141 5.075 0.075 10 0 "[ . 1 . 2]" 1
247 1 18 TYR QE 1 33 ARG HB2 4.000 . 5.000 3.557 2.234 4.804 . 0 0 "[ . 1 . 2]" 1
248 1 18 TYR QE 1 33 ARG HB3 4.000 . 5.000 3.611 2.399 4.866 . 0 0 "[ . 1 . 2]" 1
249 1 19 ASN H 1 19 ASN HB2 4.000 . 5.000 3.362 2.371 3.745 . 0 0 "[ . 1 . 2]" 1
250 1 19 ASN H 1 19 ASN HB3 4.000 . 5.000 2.663 2.229 3.351 . 0 0 "[ . 1 . 2]" 1
251 1 19 ASN H 1 20 CYS H 4.000 . 5.000 4.564 4.411 4.639 . 0 0 "[ . 1 . 2]" 1
252 1 19 ASN H 1 32 GLU H 4.000 . 5.000 2.540 1.837 2.930 . 0 0 "[ . 1 . 2]" 1
253 1 19 ASN H 1 34 LYS QG 4.000 . 5.000 4.259 2.957 5.033 0.033 8 0 "[ . 1 . 2]" 1
254 1 19 ASN HA 1 19 ASN HB2 3.000 . 3.300 2.441 2.264 2.737 . 0 0 "[ . 1 . 2]" 1
255 1 19 ASN HA 1 20 CYS H 2.500 . 2.700 2.401 2.216 2.757 0.057 9 0 "[ . 1 . 2]" 1
256 1 19 ASN HB2 1 19 ASN HD22 4.000 . 5.000 3.734 3.518 4.102 . 0 0 "[ . 1 . 2]" 1
257 1 19 ASN HB2 1 21 VAL QG 4.000 . 6.000 4.775 3.707 6.062 0.062 20 0 "[ . 1 . 2]" 1
258 1 19 ASN HB2 1 34 LYS QG 4.000 . 6.000 4.151 2.194 6.027 0.027 1 0 "[ . 1 . 2]" 1
259 1 19 ASN HB3 1 19 ASN HD22 4.000 . 5.000 3.762 3.502 4.082 . 0 0 "[ . 1 . 2]" 1
260 1 19 ASN HB3 1 20 CYS H 4.000 . 5.000 3.900 2.411 4.465 . 0 0 "[ . 1 . 2]" 1
261 1 19 ASN HB3 1 21 VAL QG 4.000 . 6.000 4.626 3.019 6.109 0.109 12 0 "[ . 1 . 2]" 1
262 1 19 ASN HB3 1 34 LYS QG 4.000 . 5.000 3.564 2.349 5.082 0.082 3 0 "[ . 1 . 2]" 1
263 1 19 ASN HD21 1 21 VAL HA 4.000 . 5.000 4.636 3.826 5.072 0.072 1 0 "[ . 1 . 2]" 1
264 1 19 ASN HD21 1 21 VAL QG 4.000 . 5.000 3.044 2.202 3.751 . 0 0 "[ . 1 . 2]" 1
265 1 19 ASN HD21 1 34 LYS QD 4.000 . 5.000 3.923 2.349 5.069 0.069 10 0 "[ . 1 . 2]" 1
266 1 19 ASN HD21 1 34 LYS QG 4.000 . 5.000 3.913 2.635 5.039 0.039 1 0 "[ . 1 . 2]" 1
267 1 19 ASN HD22 1 21 VAL QG 4.000 . 5.000 2.917 1.942 4.303 . 0 0 "[ . 1 . 2]" 1
268 1 19 ASN HD22 1 34 LYS QG 4.000 . 5.000 3.995 1.768 5.083 0.083 20 0 "[ . 1 . 2]" 1
269 1 20 CYS H 1 20 CYS HB2 3.000 . 3.300 2.581 2.162 3.301 0.001 9 0 "[ . 1 . 2]" 1
270 1 20 CYS H 1 20 CYS HB3 3.000 . 3.300 2.866 2.391 3.512 0.212 13 0 "[ . 1 . 2]" 1
271 1 20 CYS H 1 21 VAL H 4.000 . 5.000 4.498 4.297 4.604 . 0 0 "[ . 1 . 2]" 1
272 1 20 CYS H 1 21 VAL QG 4.000 . 6.000 4.625 3.288 5.389 . 0 0 "[ . 1 . 2]" 1
273 1 20 CYS HA 1 20 CYS HB3 3.000 . 3.300 2.908 2.591 3.038 . 0 0 "[ . 1 . 2]" 1
274 1 20 CYS HA 1 21 VAL H 2.500 . 2.700 2.196 2.137 2.253 . 0 0 "[ . 1 . 2]" 1
275 1 20 CYS HA 1 21 VAL HB 4.000 . 5.000 4.419 4.092 4.839 . 0 0 "[ . 1 . 2]" 1
276 1 20 CYS HA 1 21 VAL QG 4.000 . 5.000 3.924 3.249 4.422 . 0 0 "[ . 1 . 2]" 1
277 1 20 CYS HA 1 30 SER H 4.000 . 5.000 4.743 3.948 5.065 0.065 1 0 "[ . 1 . 2]" 1
278 1 20 CYS HA 1 31 CYS HA 4.000 . 5.000 2.405 2.143 2.770 . 0 0 "[ . 1 . 2]" 1
279 1 20 CYS HA 1 31 CYS HB2 4.000 . 6.000 4.760 3.399 5.505 . 0 0 "[ . 1 . 2]" 1
280 1 20 CYS HA 1 31 CYS HB3 4.000 . 5.000 4.549 4.140 4.914 . 0 0 "[ . 1 . 2]" 1
281 1 20 CYS HA 1 32 GLU H 4.000 . 5.000 3.934 3.402 4.343 . 0 0 "[ . 1 . 2]" 1
282 1 20 CYS HB2 1 21 VAL H 4.000 . 5.000 4.317 4.120 4.563 . 0 0 "[ . 1 . 2]" 1
283 1 20 CYS HB3 1 21 VAL H 4.000 . 5.000 3.890 3.096 4.319 . 0 0 "[ . 1 . 2]" 1
284 1 21 VAL H 1 21 VAL HB 3.000 . 3.300 2.631 2.274 3.197 . 0 0 "[ . 1 . 2]" 1
285 1 21 VAL H 1 21 VAL QG 4.000 . 5.000 2.765 2.314 3.108 . 0 0 "[ . 1 . 2]" 1
286 1 21 VAL H 1 30 SER H 4.000 . 5.000 3.010 2.172 3.449 . 0 0 "[ . 1 . 2]" 1
287 1 21 VAL H 1 31 CYS HA 4.000 . 5.000 3.165 2.743 3.690 . 0 0 "[ . 1 . 2]" 1
288 1 21 VAL HA 1 22 TYR H 2.500 . 2.700 2.250 2.149 2.455 . 0 0 "[ . 1 . 2]" 1
289 1 21 VAL HA 1 22 TYR HB3 4.000 . 5.000 4.868 4.585 5.018 0.018 10 0 "[ . 1 . 2]" 1
290 1 21 VAL HB 1 22 TYR H 4.000 . 5.000 4.291 3.657 4.545 . 0 0 "[ . 1 . 2]" 1
291 1 21 VAL HB 1 30 SER H 4.000 . 5.000 3.673 2.493 4.855 . 0 0 "[ . 1 . 2]" 1
292 1 21 VAL QG 1 22 TYR H 4.000 . 5.000 2.526 1.907 3.213 . 0 0 "[ . 1 . 2]" 1
293 1 21 VAL QG 1 22 TYR HB2 4.000 . 6.000 4.421 3.930 5.024 . 0 0 "[ . 1 . 2]" 1
294 1 21 VAL QG 1 22 TYR HB3 4.000 . 6.000 4.083 3.578 4.582 . 0 0 "[ . 1 . 2]" 1
295 1 21 VAL QG 1 30 SER H 4.000 . 5.000 3.087 1.764 4.080 0.036 20 0 "[ . 1 . 2]" 1
296 1 21 VAL QG 1 32 GLU H 4.000 . 5.000 3.898 3.037 4.854 . 0 0 "[ . 1 . 2]" 1
297 1 21 VAL QG 1 32 GLU QB 4.000 . 5.000 3.035 2.246 4.308 . 0 0 "[ . 1 . 2]" 1
298 1 21 VAL QG 1 32 GLU HG2 4.000 . 5.000 3.084 2.011 4.754 . 0 0 "[ . 1 . 2]" 1
299 1 21 VAL QG 1 32 GLU HG3 4.000 . 5.000 3.718 2.763 5.016 0.016 19 0 "[ . 1 . 2]" 1
300 1 22 TYR H 1 22 TYR HB2 4.000 . 5.000 2.563 2.269 3.047 . 0 0 "[ . 1 . 2]" 1
301 1 22 TYR H 1 22 TYR HB3 3.000 . 3.300 2.671 2.388 2.840 . 0 0 "[ . 1 . 2]" 1
302 1 22 TYR H 1 22 TYR QD 4.000 . 5.000 4.215 4.089 4.330 . 0 0 "[ . 1 . 2]" 1
303 1 22 TYR H 1 23 ALA H 4.000 . 5.000 4.547 4.332 4.685 . 0 0 "[ . 1 . 2]" 1
304 1 22 TYR H 1 29 SER HA 4.000 . 5.000 4.712 4.507 5.000 0.000 3 0 "[ . 1 . 2]" 1
305 1 22 TYR HA 1 22 TYR QD 3.000 . 3.300 2.539 2.027 3.053 . 0 0 "[ . 1 . 2]" 1
306 1 22 TYR HA 1 23 ALA H 3.000 . 3.300 2.210 2.177 2.245 . 0 0 "[ . 1 . 2]" 1
307 1 22 TYR HA 1 29 SER HA 4.000 . 5.000 2.365 2.130 2.968 . 0 0 "[ . 1 . 2]" 1
308 1 22 TYR HA 1 30 SER H 4.000 . 5.000 3.871 3.355 4.337 . 0 0 "[ . 1 . 2]" 1
309 1 22 TYR HB2 1 22 TYR QD 3.000 . 3.300 2.513 2.293 2.762 . 0 0 "[ . 1 . 2]" 1
310 1 22 TYR HB2 1 22 TYR QE 4.000 . 5.000 4.472 4.414 4.541 . 0 0 "[ . 1 . 2]" 1
311 1 22 TYR HB2 1 23 ALA H 4.000 . 5.000 4.407 4.059 4.614 . 0 0 "[ . 1 . 2]" 1
312 1 22 TYR HB3 1 22 TYR QD 3.000 . 3.300 2.426 2.306 2.789 . 0 0 "[ . 1 . 2]" 1
313 1 22 TYR HB3 1 22 TYR QE 4.000 . 5.000 4.450 4.415 4.546 . 0 0 "[ . 1 . 2]" 1
314 1 22 TYR HB3 1 23 ALA H 4.000 . 5.000 4.154 3.941 4.425 . 0 0 "[ . 1 . 2]" 1
315 1 22 TYR QD 1 23 ALA H 4.000 . 5.000 3.177 2.189 3.857 . 0 0 "[ . 1 . 2]" 1
316 1 22 TYR QD 1 23 ALA HA 4.000 . 5.000 4.430 3.470 5.022 0.022 14 0 "[ . 1 . 2]" 1
317 1 22 TYR QD 1 24 TRP H 4.000 . 6.000 4.032 3.102 5.480 . 0 0 "[ . 1 . 2]" 1
318 1 22 TYR QD 1 24 TRP HA 4.000 . 6.000 3.776 2.707 5.726 . 0 0 "[ . 1 . 2]" 1
319 1 22 TYR QD 1 27 GLN HA 4.000 . 5.000 4.462 3.826 5.043 0.043 18 0 "[ . 1 . 2]" 1
320 1 22 TYR QD 1 29 SER HA 4.000 . 5.000 3.888 3.041 4.544 . 0 0 "[ . 1 . 2]" 1
321 1 22 TYR QD 1 29 SER HB3 4.000 . 5.000 4.344 3.578 5.119 0.119 10 0 "[ . 1 . 2]" 1
322 1 22 TYR QE 1 24 TRP H 4.000 . 6.000 4.952 3.936 6.021 0.021 16 0 "[ . 1 . 2]" 1
323 1 22 TYR QE 1 27 GLN H 4.000 . 5.000 4.653 3.151 5.082 0.082 18 0 "[ . 1 . 2]" 1
324 1 23 ALA H 1 23 ALA HA 3.000 . 3.300 2.967 2.940 2.997 . 0 0 "[ . 1 . 2]" 1
325 1 23 ALA H 1 23 ALA MB 3.000 . 3.300 2.267 2.121 2.427 . 0 0 "[ . 1 . 2]" 1
326 1 23 ALA H 1 28 GLN H 4.000 . 5.000 4.087 3.265 4.998 . 0 0 "[ . 1 . 2]" 1
327 1 23 ALA H 1 29 SER HA 4.000 . 5.000 2.377 1.716 3.172 0.084 16 0 "[ . 1 . 2]" 1
328 1 23 ALA H 1 30 SER H 4.000 . 5.000 3.906 3.180 4.438 . 0 0 "[ . 1 . 2]" 1
329 1 23 ALA HA 1 24 TRP H 2.500 . 2.700 2.345 2.119 2.974 0.274 2 0 "[ . 1 . 2]" 1
330 1 23 ALA HA 1 24 TRP HD1 4.000 . 6.000 4.301 2.727 6.131 0.131 16 0 "[ . 1 . 2]" 1
331 1 23 ALA MB 1 24 TRP H 4.000 . 5.000 3.235 1.751 3.700 0.049 16 0 "[ . 1 . 2]" 1
332 1 23 ALA MB 1 24 TRP HD1 4.000 . 5.000 4.421 3.065 5.080 0.080 20 0 "[ . 1 . 2]" 1
333 1 23 ALA MB 1 25 TYR H 4.000 . 5.000 3.287 2.284 5.032 0.032 16 0 "[ . 1 . 2]" 1
334 1 23 ALA MB 1 28 GLN H 4.000 . 5.000 3.357 1.937 4.818 . 0 0 "[ . 1 . 2]" 1
335 1 23 ALA MB 1 28 GLN HB2 4.000 . 5.000 4.110 3.174 5.040 0.040 17 0 "[ . 1 . 2]" 1
336 1 23 ALA MB 1 28 GLN HB3 4.000 . 5.000 3.767 2.709 4.713 . 0 0 "[ . 1 . 2]" 1
337 1 23 ALA MB 1 28 GLN QG 4.000 . 5.000 4.267 2.612 5.040 0.040 1 0 "[ . 1 . 2]" 1
338 1 24 TRP H 1 24 TRP HA 3.000 . 3.300 2.795 2.430 2.888 . 0 0 "[ . 1 . 2]" 1
339 1 24 TRP H 1 24 TRP HB2 4.000 . 5.000 3.504 2.624 4.002 . 0 0 "[ . 1 . 2]" 1
340 1 24 TRP H 1 24 TRP HB3 4.000 . 5.000 2.827 2.083 3.813 . 0 0 "[ . 1 . 2]" 1
341 1 24 TRP H 1 24 TRP HD1 4.000 . 5.000 2.921 1.771 4.161 0.029 11 0 "[ . 1 . 2]" 1
342 1 24 TRP H 1 25 TYR H 4.000 . 5.000 2.919 2.146 4.566 . 0 0 "[ . 1 . 2]" 1
343 1 24 TRP HA 1 24 TRP HD1 4.000 . 5.000 4.034 1.756 4.447 0.044 16 0 "[ . 1 . 2]" 1
344 1 24 TRP HA 1 25 TYR H 4.000 . 5.000 3.393 2.190 3.640 . 0 0 "[ . 1 . 2]" 1
345 1 24 TRP HA 1 27 GLN H 4.000 . 5.000 3.926 2.846 5.017 0.017 16 0 "[ . 1 . 2]" 1
346 1 24 TRP HA 1 27 GLN QE 4.000 . 6.000 3.080 2.046 6.049 0.049 16 0 "[ . 1 . 2]" 1
347 1 24 TRP HB2 1 25 TYR H 4.000 . 6.000 3.844 3.083 4.658 . 0 0 "[ . 1 . 2]" 1
348 1 24 TRP HB2 1 27 GLN QE 4.000 . 5.000 4.191 3.008 4.785 . 0 0 "[ . 1 . 2]" 1
349 1 24 TRP HB3 1 25 TYR H 4.000 . 6.000 4.088 2.822 4.539 . 0 0 "[ . 1 . 2]" 1
350 1 24 TRP HB3 1 27 GLN QE 4.000 . 5.000 4.566 3.587 5.052 0.052 10 0 "[ . 1 . 2]" 1
351 1 24 TRP HD1 1 25 TYR QD 3.000 . 3.300 2.803 2.154 3.306 0.006 9 0 "[ . 1 . 2]" 1
352 1 24 TRP HE1 1 25 TYR QD 4.000 . 5.000 3.375 2.375 5.041 0.041 16 0 "[ . 1 . 2]" 1
353 1 25 TYR H 1 25 TYR HB2 4.000 . 5.000 3.360 2.047 3.810 . 0 0 "[ . 1 . 2]" 1
354 1 25 TYR H 1 25 TYR HB3 4.000 . 5.000 2.920 2.287 3.746 . 0 0 "[ . 1 . 2]" 1
355 1 25 TYR H 1 25 TYR QD 4.000 . 5.000 2.613 1.775 4.516 0.025 2 0 "[ . 1 . 2]" 1
356 1 25 TYR H 1 27 GLN H 4.000 . 6.000 4.025 2.586 5.229 . 0 0 "[ . 1 . 2]" 1
357 1 25 TYR HA 1 25 TYR HB2 3.000 . 3.300 2.552 2.310 2.965 . 0 0 "[ . 1 . 2]" 1
358 1 25 TYR HA 1 25 TYR QD 4.000 . 5.000 3.415 2.296 3.728 . 0 0 "[ . 1 . 2]" 1
359 1 25 TYR HA 1 26 ASN H 4.000 . 5.000 3.007 2.173 3.613 . 0 0 "[ . 1 . 2]" 1
360 1 25 TYR HA 1 27 GLN H 4.000 . 5.000 3.916 3.095 4.941 . 0 0 "[ . 1 . 2]" 1
361 1 25 TYR HB2 1 25 TYR QD 3.000 . 3.300 2.455 2.298 2.676 . 0 0 "[ . 1 . 2]" 1
362 1 25 TYR HB2 1 25 TYR QE 4.000 . 5.000 4.455 4.415 4.509 . 0 0 "[ . 1 . 2]" 1
363 1 25 TYR HB3 1 25 TYR QD 3.000 . 3.300 2.440 2.294 2.754 . 0 0 "[ . 1 . 2]" 1
364 1 25 TYR HB3 1 25 TYR QE 4.000 . 5.000 4.452 4.414 4.538 . 0 0 "[ . 1 . 2]" 1
365 1 25 TYR HB3 1 26 ASN H 4.000 . 5.000 3.738 1.766 4.555 0.034 13 0 "[ . 1 . 2]" 1
366 1 25 TYR QD 1 26 ASN HB3 4.000 . 5.000 3.798 2.271 5.079 0.079 16 0 "[ . 1 . 2]" 1
367 1 25 TYR QD 1 26 ASN HD22 4.000 . 5.000 3.524 2.095 4.965 . 0 0 "[ . 1 . 2]" 1
368 1 26 ASN H 1 27 GLN H 3.000 . 3.300 2.505 1.750 2.856 0.050 2 0 "[ . 1 . 2]" 1
369 1 26 ASN HA 1 26 ASN HB3 3.000 . 3.300 2.537 2.297 2.979 . 0 0 "[ . 1 . 2]" 1
370 1 26 ASN HA 1 26 ASN HD22 4.000 . 5.000 4.624 3.520 5.170 0.170 4 0 "[ . 1 . 2]" 1
371 1 26 ASN HA 1 27 GLN H 4.000 . 5.000 3.116 2.668 3.582 . 0 0 "[ . 1 . 2]" 1
372 1 26 ASN HB2 1 26 ASN HD22 4.000 . 5.000 3.918 3.511 4.123 . 0 0 "[ . 1 . 2]" 1
373 1 26 ASN HB2 1 27 GLN H 4.000 . 5.000 4.147 2.179 4.642 . 0 0 "[ . 1 . 2]" 1
374 1 26 ASN HB3 1 26 ASN HD22 4.000 . 5.000 3.769 3.480 4.121 . 0 0 "[ . 1 . 2]" 1
375 1 26 ASN HB3 1 27 GLN H 4.000 . 5.000 4.323 3.542 4.694 . 0 0 "[ . 1 . 2]" 1
376 1 26 ASN HD22 1 28 GLN HB2 4.000 . 6.000 4.746 2.457 6.065 0.065 8 0 "[ . 1 . 2]" 1
377 1 27 GLN H 1 27 GLN HA 2.500 . 2.700 2.377 2.319 2.776 0.076 16 0 "[ . 1 . 2]" 1
378 1 27 GLN H 1 27 GLN HB2 4.000 . 5.000 3.393 2.830 4.054 . 0 0 "[ . 1 . 2]" 1
379 1 27 GLN H 1 27 GLN HB3 4.000 . 5.000 3.967 3.201 4.086 . 0 0 "[ . 1 . 2]" 1
380 1 27 GLN H 1 28 GLN H 4.000 . 5.000 3.329 1.900 4.717 . 0 0 "[ . 1 . 2]" 1
381 1 27 GLN HA 1 27 GLN QE 4.000 . 6.000 2.795 1.776 3.214 0.024 3 0 "[ . 1 . 2]" 1
382 1 27 GLN HA 1 28 GLN H 3.000 . 3.300 2.877 2.556 3.227 . 0 0 "[ . 1 . 2]" 1
383 1 27 GLN HB2 1 28 GLN H 4.000 . 5.000 3.925 2.539 4.712 . 0 0 "[ . 1 . 2]" 1
384 1 27 GLN HB3 1 28 GLN H 4.000 . 5.000 3.733 1.723 4.556 0.077 17 0 "[ . 1 . 2]" 1
385 1 27 GLN QG 1 28 GLN H 4.000 . 6.000 4.406 3.137 5.043 . 0 0 "[ . 1 . 2]" 1
386 1 28 GLN H 1 28 GLN HA 3.000 . 3.300 2.833 2.329 3.006 . 0 0 "[ . 1 . 2]" 1
387 1 28 GLN H 1 28 GLN HB2 4.000 . 5.000 3.009 2.505 3.674 . 0 0 "[ . 1 . 2]" 1
388 1 28 GLN H 1 28 GLN HB3 4.000 . 5.000 3.252 2.408 4.112 . 0 0 "[ . 1 . 2]" 1
389 1 28 GLN H 1 28 GLN QG 4.000 . 5.000 3.561 2.610 4.486 . 0 0 "[ . 1 . 2]" 1
390 1 28 GLN H 1 29 SER H 4.000 . 6.000 4.444 4.145 4.658 . 0 0 "[ . 1 . 2]" 1
391 1 28 GLN HA 1 29 SER H 2.500 . 2.700 2.361 2.170 2.742 0.042 18 0 "[ . 1 . 2]" 1
392 1 28 GLN HB2 1 29 SER H 4.000 . 5.000 3.916 3.129 4.479 . 0 0 "[ . 1 . 2]" 1
393 1 28 GLN HB3 1 29 SER H 4.000 . 5.000 3.359 1.828 4.318 . 0 0 "[ . 1 . 2]" 1
394 1 28 GLN QG 1 29 SER H 4.000 . 5.000 3.039 1.752 4.565 0.048 18 0 "[ . 1 . 2]" 1
395 1 29 SER H 1 29 SER HB2 3.000 . 3.300 2.620 2.362 2.908 . 0 0 "[ . 1 . 2]" 1
396 1 29 SER H 1 29 SER HB3 4.000 . 5.000 3.717 3.627 3.891 . 0 0 "[ . 1 . 2]" 1
397 1 29 SER HA 1 29 SER HB3 3.000 . 3.300 2.436 2.307 2.576 . 0 0 "[ . 1 . 2]" 1
398 1 29 SER HA 1 30 SER H 2.500 . 2.700 2.307 2.189 2.544 . 0 0 "[ . 1 . 2]" 1
399 1 29 SER HB2 1 30 SER H 4.000 . 5.000 3.942 3.331 4.321 . 0 0 "[ . 1 . 2]" 1
400 1 29 SER HB3 1 30 SER H 4.000 . 5.000 3.071 2.348 3.802 . 0 0 "[ . 1 . 2]" 1
401 1 30 SER H 1 30 SER HA 2.500 . 2.700 2.934 2.906 2.952 0.252 12 0 "[ . 1 . 2]" 1
402 1 30 SER H 1 30 SER HB2 4.000 . 5.000 3.398 2.607 3.920 . 0 0 "[ . 1 . 2]" 1
403 1 30 SER H 1 30 SER HB3 3.000 . 3.300 2.781 2.410 3.218 . 0 0 "[ . 1 . 2]" 1
404 1 30 SER H 1 31 CYS H 4.000 . 6.000 4.325 4.114 4.540 . 0 0 "[ . 1 . 2]" 1
405 1 30 SER HA 1 30 SER HB3 3.000 . 3.300 2.812 2.348 3.024 . 0 0 "[ . 1 . 2]" 1
406 1 30 SER HA 1 31 CYS H 2.500 . 2.700 2.250 2.180 2.839 0.139 19 0 "[ . 1 . 2]" 1
407 1 30 SER HB2 1 31 CYS H 4.000 . 5.000 3.886 3.072 4.546 . 0 0 "[ . 1 . 2]" 1
408 1 30 SER HB3 1 31 CYS H 4.000 . 5.000 4.192 2.325 4.594 . 0 0 "[ . 1 . 2]" 1
409 1 31 CYS H 1 31 CYS HA 3.000 . 3.300 2.877 2.853 2.902 . 0 0 "[ . 1 . 2]" 1
410 1 31 CYS H 1 31 CYS HB2 3.000 . 3.300 2.386 2.117 3.062 . 0 0 "[ . 1 . 2]" 1
411 1 31 CYS H 1 31 CYS HB3 4.000 . 5.000 3.503 2.995 3.646 . 0 0 "[ . 1 . 2]" 1
412 1 31 CYS H 1 32 GLU H 4.000 . 5.000 4.635 4.238 4.705 . 0 0 "[ . 1 . 2]" 1
413 1 31 CYS HA 1 32 GLU H 2.500 . 2.700 2.281 2.179 2.391 . 0 0 "[ . 1 . 2]" 1
414 1 31 CYS HA 1 32 GLU HG2 4.000 . 5.000 4.788 3.974 5.138 0.138 6 0 "[ . 1 . 2]" 1
415 1 31 CYS HB2 1 32 GLU H 4.000 . 5.000 4.144 3.924 4.367 . 0 0 "[ . 1 . 2]" 1
416 1 32 GLU H 1 32 GLU HG2 4.000 . 5.000 3.351 2.767 4.261 . 0 0 "[ . 1 . 2]" 1
417 1 32 GLU H 1 32 GLU HG3 4.000 . 5.000 3.709 2.024 4.732 . 0 0 "[ . 1 . 2]" 1
418 1 32 GLU HA 1 32 GLU HG2 4.000 . 5.000 3.448 2.381 4.133 . 0 0 "[ . 1 . 2]" 1
419 1 32 GLU HA 1 32 GLU HG3 3.000 . 3.300 3.335 2.891 3.564 0.264 13 0 "[ . 1 . 2]" 1
420 1 32 GLU HA 1 33 ARG H 2.500 . 2.700 2.272 2.160 2.854 0.154 10 0 "[ . 1 . 2]" 1
421 1 32 GLU HA 1 33 ARG HB3 4.000 . 6.000 4.581 3.977 5.322 . 0 0 "[ . 1 . 2]" 1
422 1 32 GLU QB 1 33 ARG H 4.000 . 5.000 3.076 1.700 3.588 0.100 10 0 "[ . 1 . 2]" 1
423 1 32 GLU HG2 1 33 ARG H 4.000 . 5.000 4.411 3.938 4.839 . 0 0 "[ . 1 . 2]" 1
424 1 32 GLU HG2 1 34 LYS QG 4.000 . 5.000 4.009 2.419 5.204 0.204 6 0 "[ . 1 . 2]" 1
425 1 32 GLU HG3 1 33 ARG H 4.000 . 5.000 3.809 2.709 5.065 0.065 13 0 "[ . 1 . 2]" 1
426 1 33 ARG H 1 33 ARG HB2 4.000 . 5.000 3.104 2.161 3.784 . 0 0 "[ . 1 . 2]" 1
427 1 33 ARG H 1 33 ARG HB3 3.000 . 3.300 2.475 2.056 3.161 . 0 0 "[ . 1 . 2]" 1
428 1 33 ARG H 1 33 ARG QG 4.000 . 5.000 3.575 2.479 4.140 . 0 0 "[ . 1 . 2]" 1
429 1 33 ARG HA 1 34 LYS H 2.500 . 2.700 2.365 2.134 2.783 0.083 13 0 "[ . 1 . 2]" 1
430 1 33 ARG HB2 1 33 ARG HD2 4.000 . 5.000 3.515 2.335 3.853 . 0 0 "[ . 1 . 2]" 1
431 1 33 ARG HB2 1 33 ARG HD3 4.000 . 5.000 3.625 2.353 4.275 . 0 0 "[ . 1 . 2]" 1
432 1 33 ARG HB2 1 33 ARG HE 4.000 . 5.000 3.821 2.403 4.818 . 0 0 "[ . 1 . 2]" 1
433 1 33 ARG HB3 1 33 ARG HD2 4.000 . 5.000 2.901 2.069 4.222 . 0 0 "[ . 1 . 2]" 1
434 1 33 ARG HB3 1 33 ARG HD3 4.000 . 5.000 3.521 2.850 3.902 . 0 0 "[ . 1 . 2]" 1
435 1 33 ARG HB3 1 33 ARG HE 4.000 . 5.000 3.586 2.140 4.685 . 0 0 "[ . 1 . 2]" 1
436 1 33 ARG HD2 1 34 LYS QG 4.000 . 5.000 4.531 2.546 5.101 0.101 18 0 "[ . 1 . 2]" 1
437 1 33 ARG HD3 1 33 ARG HE 3.000 . 3.300 2.742 2.332 3.012 . 0 0 "[ . 1 . 2]" 1
438 1 33 ARG HD3 1 34 LYS QG 4.000 . 5.000 4.651 3.697 5.091 0.091 17 0 "[ . 1 . 2]" 1
439 1 33 ARG QG 1 34 LYS H 4.000 . 5.000 3.237 1.961 4.608 . 0 0 "[ . 1 . 2]" 1
440 1 33 ARG QG 1 35 TRP H 4.000 . 5.000 3.756 1.896 5.138 0.138 19 0 "[ . 1 . 2]" 1
441 1 33 ARG QG 1 35 TRP HD1 4.000 . 6.000 4.911 2.400 6.035 0.035 8 0 "[ . 1 . 2]" 1
442 1 34 LYS H 1 34 LYS HA 2.500 . 2.700 2.858 2.478 2.945 0.245 14 0 "[ . 1 . 2]" 1
443 1 34 LYS H 1 34 LYS QB 3.000 . 3.300 2.819 2.103 3.436 0.136 3 0 "[ . 1 . 2]" 1
444 1 34 LYS H 1 34 LYS QG 4.000 . 5.000 2.983 1.768 4.246 0.032 2 0 "[ . 1 . 2]" 1
445 1 34 LYS H 1 35 TRP H 3.000 . 3.300 2.630 1.721 3.436 0.136 16 0 "[ . 1 . 2]" 1
446 1 34 LYS HA 1 35 TRP H 3.000 . 3.300 2.949 2.153 3.485 0.185 8 0 "[ . 1 . 2]" 1
447 1 34 LYS HA 1 35 TRP HD1 4.000 . 6.000 4.066 2.496 5.089 . 0 0 "[ . 1 . 2]" 1
448 1 34 LYS QB 1 35 TRP H 4.000 . 5.000 3.499 1.778 4.029 0.022 4 0 "[ . 1 . 2]" 1
449 1 34 LYS QB 1 35 TRP HD1 4.000 . 5.000 4.109 2.290 5.189 0.189 17 0 "[ . 1 . 2]" 1
450 1 34 LYS QE 1 34 LYS QG 3.000 . 3.300 2.221 2.057 2.734 . 0 0 "[ . 1 . 2]" 1
451 1 34 LYS QG 1 35 TRP H 4.000 . 5.000 4.132 2.671 4.783 . 0 0 "[ . 1 . 2]" 1
452 1 34 LYS QG 1 35 TRP HD1 4.000 . 6.000 4.929 2.216 5.911 . 0 0 "[ . 1 . 2]" 1
453 1 35 TRP H 1 35 TRP HB2 4.000 . 5.000 3.156 2.432 4.018 . 0 0 "[ . 1 . 2]" 1
454 1 35 TRP H 1 35 TRP HB3 4.000 . 5.000 3.666 2.886 4.071 . 0 0 "[ . 1 . 2]" 1
455 1 35 TRP H 1 35 TRP HD1 4.000 . 5.000 2.653 1.624 3.854 0.176 17 0 "[ . 1 . 2]" 1
456 1 35 TRP H 1 36 LYS H 4.000 . 5.000 3.827 1.880 4.714 . 0 0 "[ . 1 . 2]" 1
457 1 35 TRP HA 1 35 TRP HD1 4.000 . 5.000 3.468 2.239 4.455 . 0 0 "[ . 1 . 2]" 1
458 1 35 TRP HA 1 36 LYS H 3.000 . 3.300 2.929 2.139 3.551 0.251 9 0 "[ . 1 . 2]" 1
459 1 35 TRP HA 1 37 TYR H 4.000 . 5.000 3.838 2.918 4.726 . 0 0 "[ . 1 . 2]" 1
460 1 35 TRP HB2 1 36 LYS H 3.000 . 3.300 2.702 1.725 3.453 0.153 4 0 "[ . 1 . 2]" 1
461 1 35 TRP HB2 1 37 TYR H 4.000 . 5.000 3.843 2.409 5.054 0.054 8 0 "[ . 1 . 2]" 1
462 1 35 TRP HB3 1 36 LYS H 4.000 . 5.000 2.981 1.794 4.264 0.006 8 0 "[ . 1 . 2]" 1
463 1 35 TRP HB3 1 37 TYR H 4.000 . 5.000 4.027 2.479 5.055 0.055 5 0 "[ . 1 . 2]" 1
464 1 35 TRP HD1 1 36 LYS H 4.000 . 6.000 4.878 3.403 5.674 . 0 0 "[ . 1 . 2]" 1
465 1 36 LYS H 1 36 LYS HA 3.000 . 3.300 2.639 2.294 2.887 . 0 0 "[ . 1 . 2]" 1
466 1 36 LYS H 1 36 LYS QB 3.000 . 3.300 2.812 2.057 3.426 0.126 2 0 "[ . 1 . 2]" 1
467 1 36 LYS H 1 36 LYS HG2 4.000 . 5.000 4.108 2.524 5.030 0.030 9 0 "[ . 1 . 2]" 1
468 1 36 LYS H 1 36 LYS HG3 4.000 . 5.000 3.903 2.038 5.019 0.019 10 0 "[ . 1 . 2]" 1
469 1 36 LYS H 1 37 TYR H 4.000 . 5.000 2.642 1.850 3.829 . 0 0 "[ . 1 . 2]" 1
470 1 36 LYS HA 1 36 LYS HG2 4.000 . 5.000 2.942 2.392 4.134 . 0 0 "[ . 1 . 2]" 1
471 1 36 LYS HA 1 36 LYS HG3 4.000 . 5.000 2.857 2.219 3.708 . 0 0 "[ . 1 . 2]" 1
472 1 36 LYS HA 1 37 TYR H 3.000 . 3.300 3.170 2.395 3.521 0.221 8 0 "[ . 1 . 2]" 1
473 1 36 LYS HA 1 38 LEU H 4.000 . 5.000 4.175 3.210 5.091 0.091 18 0 "[ . 1 . 2]" 1
474 1 36 LYS QB 1 37 TYR H 4.000 . 5.000 3.449 2.101 4.058 . 0 0 "[ . 1 . 2]" 1
475 1 36 LYS QB 1 37 TYR QD 4.000 . 5.000 4.114 2.671 5.069 0.069 18 0 "[ . 1 . 2]" 1
476 1 37 TYR H 1 37 TYR HB2 4.000 . 5.000 3.064 2.403 4.130 . 0 0 "[ . 1 . 2]" 1
477 1 37 TYR H 1 37 TYR HB3 4.000 . 5.000 3.499 2.569 4.290 . 0 0 "[ . 1 . 2]" 1
478 1 37 TYR H 1 37 TYR QD 4.000 . 5.000 3.250 1.733 4.605 0.067 16 0 "[ . 1 . 2]" 1
479 1 37 TYR H 1 38 LEU H 4.000 . 5.000 2.801 1.629 4.247 0.171 17 0 "[ . 1 . 2]" 1
480 1 37 TYR HA 1 37 TYR QD 4.000 . 5.000 2.814 2.060 3.712 . 0 0 "[ . 1 . 2]" 1
481 1 37 TYR HA 1 37 TYR QE 4.000 . 6.000 4.694 4.178 5.620 . 0 0 "[ . 1 . 2]" 1
482 1 37 TYR HA 1 38 LEU H 3.000 . 3.300 2.935 2.233 3.440 0.140 8 0 "[ . 1 . 2]" 1
483 1 37 TYR HB2 1 37 TYR QE 4.000 . 5.000 4.449 4.417 4.507 . 0 0 "[ . 1 . 2]" 1
484 1 37 TYR HB3 1 37 TYR QE 4.000 . 5.000 4.463 4.415 4.550 . 0 0 "[ . 1 . 2]" 1
485 1 37 TYR HB3 1 38 LEU H 4.000 . 5.000 4.174 2.966 4.695 . 0 0 "[ . 1 . 2]" 1
486 1 37 TYR QD 1 38 LEU H 4.000 . 5.000 4.545 3.815 4.975 . 0 0 "[ . 1 . 2]" 1
487 1 38 LEU H 1 38 LEU HA 2.500 . 2.700 2.731 2.344 2.936 0.236 1 0 "[ . 1 . 2]" 1
488 1 38 LEU H 1 38 LEU QB 3.000 . 3.300 2.726 1.983 3.435 0.135 16 0 "[ . 1 . 2]" 1
489 1 38 LEU H 1 38 LEU MD1 4.000 . 5.000 3.865 1.854 4.568 . 0 0 "[ . 1 . 2]" 1
490 1 38 LEU H 1 38 LEU MD2 4.000 . 5.000 4.109 2.055 5.138 0.138 8 0 "[ . 1 . 2]" 1
491 1 38 LEU H 1 38 LEU HG 4.000 . 5.000 4.028 2.182 5.007 0.007 20 0 "[ . 1 . 2]" 1
492 1 38 LEU H 1 39 PHE H 4.000 . 5.000 3.757 2.605 4.658 . 0 0 "[ . 1 . 2]" 1
493 1 38 LEU HA 1 39 PHE H 4.000 . 5.000 3.023 2.217 3.585 . 0 0 "[ . 1 . 2]" 1
494 1 38 LEU QB 1 39 PHE H 3.000 . 3.300 2.512 1.694 3.319 0.106 9 0 "[ . 1 . 2]" 1
495 1 38 LEU MD1 1 39 PHE H 4.000 . 5.000 3.566 1.687 4.986 0.113 5 0 "[ . 1 . 2]" 1
496 1 38 LEU MD2 1 39 PHE H 4.000 . 5.000 3.631 1.771 4.671 0.029 6 0 "[ . 1 . 2]" 1
497 1 38 LEU HG 1 39 PHE H 4.000 . 5.000 3.524 1.736 5.042 0.064 8 0 "[ . 1 . 2]" 1
498 1 39 PHE H 1 39 PHE HA 3.000 . 3.300 2.711 2.378 2.886 . 0 0 "[ . 1 . 2]" 1
499 1 39 PHE H 1 39 PHE HB2 3.000 . 3.300 2.742 2.061 3.433 0.133 6 0 "[ . 1 . 2]" 1
500 1 39 PHE H 1 39 PHE HB3 4.000 . 5.000 3.400 2.465 4.145 . 0 0 "[ . 1 . 2]" 1
501 1 39 PHE H 1 39 PHE QD 4.000 . 5.000 3.708 2.127 4.538 . 0 0 "[ . 1 . 2]" 1
502 1 39 PHE HA 1 39 PHE QD 4.000 . 5.000 2.502 2.037 3.078 . 0 0 "[ . 1 . 2]" 1
503 1 39 PHE HA 1 40 THR H 3.000 . 3.300 2.878 2.174 3.513 0.213 19 0 "[ . 1 . 2]" 1
504 1 39 PHE HB2 1 39 PHE QD 3.000 . 3.300 2.497 2.301 2.789 . 0 0 "[ . 1 . 2]" 1
505 1 39 PHE HB2 1 39 PHE QE 4.000 . 5.000 4.469 4.409 4.544 . 0 0 "[ . 1 . 2]" 1
506 1 39 PHE HB3 1 39 PHE QD 3.000 . 3.300 2.463 2.290 2.756 . 0 0 "[ . 1 . 2]" 1
507 1 39 PHE HB3 1 39 PHE QE 4.000 . 5.000 4.460 4.411 4.530 . 0 0 "[ . 1 . 2]" 1
508 1 39 PHE QD 1 40 THR H 4.000 . 5.000 3.720 1.860 4.717 . 0 0 "[ . 1 . 2]" 1
509 1 40 THR H 1 40 THR HG1 4.000 . 5.000 3.406 1.795 4.622 0.005 16 0 "[ . 1 . 2]" 1
510 1 40 THR H 1 41 GLY H 4.000 . 5.000 3.720 2.321 4.705 . 0 0 "[ . 1 . 2]" 1
511 1 40 THR HA 1 41 GLY H 3.000 . 3.300 2.861 2.218 3.429 0.129 12 0 "[ . 1 . 2]" 1
512 1 40 THR HG1 1 41 GLY H 4.000 . 5.000 3.964 2.154 4.789 . 0 0 "[ . 1 . 2]" 1
513 1 41 GLY H 1 41 GLY HA2 3.000 . 3.300 2.637 2.356 3.000 . 0 0 "[ . 1 . 2]" 1
514 1 41 GLY H 1 41 GLY HA3 3.000 . 3.300 2.707 2.343 2.999 . 0 0 "[ . 1 . 2]" 1
515 1 41 GLY H 1 42 GLU H 4.000 . 5.000 3.380 1.730 4.696 0.070 18 0 "[ . 1 . 2]" 1
516 1 41 GLY HA2 1 42 GLU H 4.000 . 5.000 2.968 2.269 3.559 . 0 0 "[ . 1 . 2]" 1
517 1 41 GLY HA3 1 42 GLU H 4.000 . 5.000 2.980 2.212 3.574 . 0 0 "[ . 1 . 2]" 1
518 1 42 GLU H 1 42 GLU HB2 4.000 . 5.000 3.459 2.759 4.073 . 0 0 "[ . 1 . 2]" 1
519 1 42 GLU H 1 42 GLU HB3 3.000 . 3.300 2.999 2.502 3.489 0.189 11 0 "[ . 1 . 2]" 1
520 1 42 GLU H 1 42 GLU QG 4.000 . 5.000 3.534 1.728 4.339 0.072 11 0 "[ . 1 . 2]" 1
521 1 42 GLU H 1 43 CYS H 4.000 . 5.000 4.163 2.936 4.545 . 0 0 "[ . 1 . 2]" 1
522 1 42 GLU HA 1 43 CYS H 2.500 . 2.700 2.318 2.156 2.799 0.099 13 0 "[ . 1 . 2]" 1
523 1 42 GLU HB2 1 43 CYS H 4.000 . 5.000 3.813 2.293 4.598 . 0 0 "[ . 1 . 2]" 1
524 1 42 GLU HB3 1 43 CYS H 4.000 . 5.000 4.144 3.492 4.671 . 0 0 "[ . 1 . 2]" 1
525 1 42 GLU QG 1 43 CYS H 4.000 . 5.000 3.355 1.774 4.591 0.026 2 0 "[ . 1 . 2]" 1
526 1 43 CYS H 1 43 CYS HB2 4.000 . 5.000 3.175 2.130 3.936 . 0 0 "[ . 1 . 2]" 1
527 1 43 CYS H 1 43 CYS HB3 3.000 . 3.300 2.974 2.081 3.573 0.273 13 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 2:27:16 AM GMT (wattos1)