NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369657 |
1bei   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bei
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 316
_Distance_constraint_stats_list.Viol_count 770
_Distance_constraint_stats_list.Viol_total 843.380
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0228
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0548
_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 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 CYS 0.920 0.119 14 0 "[ . 1 . 2]"
1 4 ILE 2.208 0.119 14 0 "[ . 1 . 2]"
1 5 ASP 5.650 0.155 11 0 "[ . 1 . 2]"
1 6 THR 0.538 0.047 7 0 "[ . 1 . 2]"
1 7 ILE 1.317 0.054 13 0 "[ . 1 . 2]"
1 8 PRO 1.751 0.163 12 0 "[ . 1 . 2]"
1 9 LYS 2.012 0.134 8 0 "[ . 1 . 2]"
1 10 SER 1.688 0.097 20 0 "[ . 1 . 2]"
1 11 ARG 2.152 0.163 12 0 "[ . 1 . 2]"
1 12 CYS 1.521 0.104 19 0 "[ . 1 . 2]"
1 13 THR 2.277 0.125 19 0 "[ . 1 . 2]"
1 14 ALA 2.282 0.160 7 0 "[ . 1 . 2]"
1 15 PHE 1.516 0.125 19 0 "[ . 1 . 2]"
1 16 GLN 6.232 0.160 7 0 "[ . 1 . 2]"
1 17 CYS 5.068 0.145 14 0 "[ . 1 . 2]"
1 18 LYS 1.493 0.101 20 0 "[ . 1 . 2]"
1 19 HIS 0.255 0.057 16 0 "[ . 1 . 2]"
1 20 SER 0.537 0.063 16 0 "[ . 1 . 2]"
1 21 MET 1.496 0.114 6 0 "[ . 1 . 2]"
1 23 TYR 2.296 0.129 17 0 "[ . 1 . 2]"
1 24 ARG 3.474 0.139 15 0 "[ . 1 . 2]"
1 25 LEU 6.246 0.200 18 0 "[ . 1 . 2]"
1 26 SER 1.366 0.102 10 0 "[ . 1 . 2]"
1 27 PHE 5.726 0.200 18 0 "[ . 1 . 2]"
1 28 CYS 4.134 0.155 11 0 "[ . 1 . 2]"
1 29 ARG 1.213 0.087 17 0 "[ . 1 . 2]"
1 30 LYS 1.255 0.122 11 0 "[ . 1 . 2]"
1 31 THR 0.410 0.051 19 0 "[ . 1 . 2]"
1 32 CYS 1.788 0.122 7 0 "[ . 1 . 2]"
1 33 GLY 1.600 0.116 20 0 "[ . 1 . 2]"
1 34 THR 2.932 0.147 16 0 "[ . 1 . 2]"
1 35 CYS 2.637 0.170 11 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 2 SER HA 1 3 CYS H 0.000 . 3.600 2.272 2.141 2.471 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 30 LYS QE 0.000 . 5.000 4.326 3.706 4.572 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER QB 1 4 ILE H 0.000 . 7.200 5.391 4.463 6.054 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER QB 1 4 ILE QG 0.000 . 6.780 5.019 4.203 5.508 . 0 0 "[ . 1 . 2]" 1
5 1 3 CYS CB 1 35 CYS SG 0.000 . 3.100 3.054 2.985 3.110 0.010 18 0 "[ . 1 . 2]" 1
6 1 3 CYS H 1 4 ILE H 0.000 . 4.100 4.131 3.946 4.219 0.119 14 0 "[ . 1 . 2]" 1
7 1 3 CYS HA 1 4 ILE H 0.000 . 3.400 2.255 2.077 2.381 . 0 0 "[ . 1 . 2]" 1
8 1 3 CYS QB 1 29 ARG QB 0.000 . 5.880 2.705 2.032 3.753 . 0 0 "[ . 1 . 2]" 1
9 1 3 CYS QB 1 30 LYS QG 0.000 . 6.400 3.870 1.884 4.970 . 0 0 "[ . 1 . 2]" 1
10 1 3 CYS SG 1 35 CYS CB 0.000 . 3.100 3.056 3.016 3.089 . 0 0 "[ . 1 . 2]" 1
11 1 3 CYS SG 1 35 CYS SG 0.000 . 2.100 2.025 2.019 2.030 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE H 1 4 ILE MD 0.000 . 4.400 3.268 2.796 3.683 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE H 1 4 ILE HG12 0.000 . 3.600 3.550 2.411 3.648 0.048 14 0 "[ . 1 . 2]" 1
14 1 4 ILE H 1 4 ILE QG 0.000 . 3.390 2.081 1.993 2.380 . 0 0 "[ . 1 . 2]" 1
15 1 4 ILE H 1 4 ILE HG13 0.000 . 3.600 2.157 2.003 3.667 0.067 16 0 "[ . 1 . 2]" 1
16 1 4 ILE H 1 4 ILE MG 0.000 . 4.400 2.978 2.605 3.780 . 0 0 "[ . 1 . 2]" 1
17 1 4 ILE H 1 5 ASP H 0.000 . 4.300 4.339 4.228 4.392 0.092 9 0 "[ . 1 . 2]" 1
18 1 4 ILE HA 1 5 ASP H 0.000 . 3.400 2.241 2.072 2.445 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE HB 1 5 ASP H 0.000 . 3.400 2.884 2.497 3.424 0.024 16 0 "[ . 1 . 2]" 1
20 1 4 ILE MD 1 5 ASP H 0.000 . 4.400 3.482 3.357 3.567 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE QG 1 5 ASP H 0.000 . 5.080 4.380 4.292 4.502 . 0 0 "[ . 1 . 2]" 1
22 1 5 ASP H 1 28 CYS HA 0.000 . 5.000 5.105 5.074 5.155 0.155 11 0 "[ . 1 . 2]" 1
23 1 5 ASP H 1 29 ARG HB2 0.000 . 4.700 3.624 3.390 3.781 . 0 0 "[ . 1 . 2]" 1
24 1 5 ASP H 1 29 ARG QB 0.000 . 4.140 3.513 3.321 3.631 . 0 0 "[ . 1 . 2]" 1
25 1 5 ASP H 1 29 ARG HB3 0.000 . 4.700 4.736 4.625 4.787 0.087 17 0 "[ . 1 . 2]" 1
26 1 5 ASP H 1 30 LYS H 0.000 . 4.100 3.838 3.669 4.121 0.021 12 0 "[ . 1 . 2]" 1
27 1 5 ASP H 1 30 LYS QG 0.000 . 5.100 3.574 2.603 4.212 . 0 0 "[ . 1 . 2]" 1
28 1 5 ASP HA 1 6 THR H 0.000 . 3.400 2.305 2.179 2.414 . 0 0 "[ . 1 . 2]" 1
29 1 5 ASP HA 1 7 ILE H 0.000 . 3.800 3.822 3.764 3.854 0.054 13 0 "[ . 1 . 2]" 1
30 1 5 ASP HA 1 29 ARG H 0.000 . 3.500 2.708 2.475 2.909 . 0 0 "[ . 1 . 2]" 1
31 1 5 ASP HA 1 30 LYS H 0.000 . 3.800 3.853 3.819 3.922 0.122 11 0 "[ . 1 . 2]" 1
32 1 5 ASP HB2 1 6 THR H 0.000 . 3.800 3.430 3.245 3.596 . 0 0 "[ . 1 . 2]" 1
33 1 5 ASP HB2 1 7 ILE H 0.000 . 3.400 3.364 3.135 3.441 0.041 7 0 "[ . 1 . 2]" 1
34 1 5 ASP HB3 1 6 THR H 0.000 . 4.300 2.605 2.418 3.080 . 0 0 "[ . 1 . 2]" 1
35 1 5 ASP HB3 1 7 ILE H 0.000 . 3.900 2.722 2.552 3.331 . 0 0 "[ . 1 . 2]" 1
36 1 5 ASP HB3 1 28 CYS HA 0.000 . 4.100 2.285 2.038 2.461 . 0 0 "[ . 1 . 2]" 1
37 1 6 THR H 1 6 THR MG 0.000 . 4.400 2.434 2.258 2.783 . 0 0 "[ . 1 . 2]" 1
38 1 6 THR H 1 7 ILE H 0.000 . 2.900 1.926 1.806 2.145 . 0 0 "[ . 1 . 2]" 1
39 1 6 THR H 1 7 ILE HA 0.000 . 5.000 4.309 4.198 4.468 . 0 0 "[ . 1 . 2]" 1
40 1 6 THR H 1 28 CYS HA 0.000 . 4.400 3.539 3.360 3.783 . 0 0 "[ . 1 . 2]" 1
41 1 6 THR H 1 29 ARG H 0.000 . 4.600 4.207 3.948 4.400 . 0 0 "[ . 1 . 2]" 1
42 1 6 THR HB 1 7 ILE H 0.000 . 4.400 4.427 4.401 4.447 0.047 7 0 "[ . 1 . 2]" 1
43 1 6 THR MG 1 27 PHE QD 0.000 . 6.400 3.589 2.938 4.055 . 0 0 "[ . 1 . 2]" 1
44 1 7 ILE H 1 7 ILE HB 0.000 . 3.800 2.946 2.769 3.119 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE MD 1 27 PHE QD 0.000 . 6.400 2.477 1.921 3.199 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE QG 1 8 PRO QD 0.000 . 5.310 2.569 2.183 3.305 . 0 0 "[ . 1 . 2]" 1
47 1 7 ILE QG 1 11 ARG QB 0.000 . 5.150 2.294 2.157 2.414 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE QG 1 11 ARG QG 0.000 . 5.480 3.468 3.217 3.712 . 0 0 "[ . 1 . 2]" 1
49 1 7 ILE QG 1 23 TYR QE 0.000 . 7.050 4.830 4.122 5.246 . 0 0 "[ . 1 . 2]" 1
50 1 7 ILE QG 1 27 PHE QB 0.000 . 5.650 2.945 2.638 3.212 . 0 0 "[ . 1 . 2]" 1
51 1 7 ILE QG 1 27 PHE QD 0.000 . 7.780 3.908 3.062 4.687 . 0 0 "[ . 1 . 2]" 1
52 1 7 ILE QG 1 28 CYS HA 0.000 . 5.180 4.649 4.585 4.746 . 0 0 "[ . 1 . 2]" 1
53 1 7 ILE HG12 1 8 PRO HD2 0.000 . 6.350 4.038 3.717 4.690 . 0 0 "[ . 1 . 2]" 1
54 1 7 ILE HG12 1 8 PRO HD3 0.000 . 6.350 5.596 5.329 6.103 . 0 0 "[ . 1 . 2]" 1
55 1 7 ILE HG12 1 23 TYR QE 0.000 . 7.300 5.151 4.407 5.531 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE HG13 1 8 PRO HD2 0.000 . 6.350 2.647 2.214 3.490 . 0 0 "[ . 1 . 2]" 1
57 1 7 ILE HG13 1 8 PRO HD3 0.000 . 6.350 4.031 3.740 4.635 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE HG13 1 23 TYR QE 0.000 . 7.300 5.849 4.959 6.519 . 0 0 "[ . 1 . 2]" 1
59 1 7 ILE MG 1 11 ARG QB 0.000 . 5.280 3.766 3.588 3.843 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE MG 1 23 TYR QD 0.000 . 6.400 4.646 4.118 4.859 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE MG 1 27 PHE QB 0.000 . 5.280 2.711 2.208 3.170 . 0 0 "[ . 1 . 2]" 1
62 1 7 ILE MG 1 27 PHE QD 0.000 . 6.400 4.398 3.853 4.827 . 0 0 "[ . 1 . 2]" 1
63 1 7 ILE MG 1 28 CYS HA 0.000 . 4.400 2.219 2.120 2.314 . 0 0 "[ . 1 . 2]" 1
64 1 8 PRO HA 1 9 LYS H 0.000 . 3.400 2.105 2.046 2.159 . 0 0 "[ . 1 . 2]" 1
65 1 8 PRO HA 1 10 SER H 0.000 . 3.800 3.343 3.221 3.572 . 0 0 "[ . 1 . 2]" 1
66 1 8 PRO HA 1 11 ARG H 0.000 . 4.400 4.488 4.434 4.563 0.163 12 0 "[ . 1 . 2]" 1
67 1 8 PRO QB 1 10 SER H 0.000 . 4.780 2.772 2.628 3.005 . 0 0 "[ . 1 . 2]" 1
68 1 8 PRO QB 1 11 ARG H 0.000 . 5.180 3.048 2.760 3.550 . 0 0 "[ . 1 . 2]" 1
69 1 8 PRO QD 1 10 SER H 0.000 . 5.880 5.322 5.287 5.351 . 0 0 "[ . 1 . 2]" 1
70 1 8 PRO QD 1 11 ARG H 0.000 . 5.480 4.639 4.131 5.001 . 0 0 "[ . 1 . 2]" 1
71 1 8 PRO QG 1 11 ARG QD 0.000 . 5.550 3.593 3.382 3.917 . 0 0 "[ . 1 . 2]" 1
72 1 9 LYS H 1 9 LYS QB 0.000 . 3.720 2.252 2.194 2.396 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS H 1 9 LYS QD 0.000 . 4.900 4.421 4.340 4.470 . 0 0 "[ . 1 . 2]" 1
74 1 9 LYS H 1 9 LYS QG 0.000 . 4.700 3.921 2.628 4.060 . 0 0 "[ . 1 . 2]" 1
75 1 9 LYS HA 1 12 CYS HB2 0.000 . 3.700 2.345 2.031 2.660 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS HA 1 12 CYS QB 0.000 . 3.490 2.309 2.018 2.584 . 0 0 "[ . 1 . 2]" 1
77 1 9 LYS HA 1 12 CYS HB3 0.000 . 3.700 3.619 3.393 3.729 0.029 7 0 "[ . 1 . 2]" 1
78 1 9 LYS HA 1 28 CYS HB3 0.000 . 3.400 3.457 3.271 3.534 0.134 8 0 "[ . 1 . 2]" 1
79 1 9 LYS QB 1 10 SER H 0.000 . 3.440 2.660 2.592 3.272 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS HB2 1 10 SER H 0.000 . 3.700 3.729 3.673 3.777 0.077 8 0 "[ . 1 . 2]" 1
81 1 9 LYS HB3 1 10 SER H 0.000 . 3.700 2.735 2.643 3.672 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS QE 1 15 PHE QD 0.000 . 8.000 6.585 6.507 6.652 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS QE 1 15 PHE QE 0.000 . 8.300 6.460 6.178 6.764 . 0 0 "[ . 1 . 2]" 1
84 1 9 LYS QG 1 10 SER H 0.000 . 4.900 4.078 1.897 4.249 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS QG 1 10 SER HA 0.000 . 5.300 4.690 3.278 4.824 . 0 0 "[ . 1 . 2]" 1
86 1 9 LYS QG 1 11 ARG H 0.000 . 6.500 5.131 4.472 5.359 . 0 0 "[ . 1 . 2]" 1
87 1 9 LYS QG 1 12 CYS H 0.000 . 6.300 4.014 3.867 4.849 . 0 0 "[ . 1 . 2]" 1
88 1 10 SER H 1 11 ARG H 0.000 . 2.900 2.792 2.682 2.901 0.001 13 0 "[ . 1 . 2]" 1
89 1 10 SER H 1 12 CYS H 0.000 . 3.800 3.853 3.801 3.897 0.097 20 0 "[ . 1 . 2]" 1
90 1 11 ARG H 1 11 ARG QB 0.000 . 3.820 2.156 2.083 2.232 . 0 0 "[ . 1 . 2]" 1
91 1 11 ARG H 1 11 ARG HD2 0.000 . 4.500 4.170 3.812 4.375 . 0 0 "[ . 1 . 2]" 1
92 1 11 ARG H 1 11 ARG QD 0.000 . 4.210 3.833 3.616 3.918 . 0 0 "[ . 1 . 2]" 1
93 1 11 ARG H 1 11 ARG HD3 0.000 . 4.500 4.493 4.364 4.595 0.095 10 0 "[ . 1 . 2]" 1
94 1 11 ARG H 1 12 CYS H 0.000 . 2.900 2.249 2.127 2.350 . 0 0 "[ . 1 . 2]" 1
95 1 11 ARG H 1 23 TYR QB 0.000 . 5.880 5.272 5.163 5.372 . 0 0 "[ . 1 . 2]" 1
96 1 11 ARG HA 1 13 THR MG 0.000 . 4.400 3.180 2.892 3.358 . 0 0 "[ . 1 . 2]" 1
97 1 11 ARG HA 1 16 GLN QB 0.000 . 6.580 4.284 3.719 4.452 . 0 0 "[ . 1 . 2]" 1
98 1 11 ARG HA 1 23 TYR QE 0.000 . 7.200 4.775 4.389 5.412 . 0 0 "[ . 1 . 2]" 1
99 1 11 ARG QB 1 12 CYS H 0.000 . 3.900 2.686 2.425 3.247 . 0 0 "[ . 1 . 2]" 1
100 1 11 ARG QB 1 13 THR H 0.000 . 4.880 4.388 4.332 4.477 . 0 0 "[ . 1 . 2]" 1
101 1 11 ARG QB 1 23 TYR QE 0.000 . 5.730 4.186 3.229 4.407 . 0 0 "[ . 1 . 2]" 1
102 1 11 ARG HB2 1 12 CYS H 0.000 . 4.100 3.582 3.328 3.801 . 0 0 "[ . 1 . 2]" 1
103 1 11 ARG HB2 1 23 TYR QD 0.000 . 6.200 4.861 3.872 5.086 . 0 0 "[ . 1 . 2]" 1
104 1 11 ARG HB2 1 23 TYR QE 0.000 . 5.900 5.084 4.215 5.340 . 0 0 "[ . 1 . 2]" 1
105 1 11 ARG HB3 1 12 CYS H 0.000 . 4.100 2.781 2.491 3.524 . 0 0 "[ . 1 . 2]" 1
106 1 11 ARG HB3 1 23 TYR QD 0.000 . 6.200 3.704 2.340 4.012 . 0 0 "[ . 1 . 2]" 1
107 1 11 ARG HB3 1 23 TYR QE 0.000 . 5.900 4.458 3.353 4.718 . 0 0 "[ . 1 . 2]" 1
108 1 11 ARG QD 1 16 GLN QG 0.000 . 6.150 4.324 3.943 4.520 . 0 0 "[ . 1 . 2]" 1
109 1 11 ARG QD 1 23 TYR QD 0.000 . 6.680 4.732 4.470 4.938 . 0 0 "[ . 1 . 2]" 1
110 1 11 ARG QD 1 23 TYR QE 0.000 . 8.080 4.017 3.651 4.317 . 0 0 "[ . 1 . 2]" 1
111 1 11 ARG HE 1 16 GLN QB 0.000 . 5.480 4.745 4.331 4.969 . 0 0 "[ . 1 . 2]" 1
112 1 11 ARG QG 1 12 CYS H 0.000 . 5.400 4.171 4.005 4.563 . 0 0 "[ . 1 . 2]" 1
113 1 11 ARG QG 1 16 GLN QB 0.000 . 5.280 3.696 3.224 3.933 . 0 0 "[ . 1 . 2]" 1
114 1 11 ARG QG 1 23 TYR QE 0.000 . 9.300 2.556 2.022 2.722 . 0 0 "[ . 1 . 2]" 1
115 1 12 CYS CB 1 28 CYS SG 0.000 . 3.100 2.873 2.818 2.926 . 0 0 "[ . 1 . 2]" 1
116 1 12 CYS H 1 12 CYS HB2 0.000 . 3.500 2.425 2.284 2.569 . 0 0 "[ . 1 . 2]" 1
117 1 12 CYS H 1 12 CYS HB3 0.000 . 3.500 3.483 3.357 3.604 0.104 19 0 "[ . 1 . 2]" 1
118 1 12 CYS H 1 13 THR H 0.000 . 3.500 2.930 2.136 3.222 . 0 0 "[ . 1 . 2]" 1
119 1 12 CYS H 1 23 TYR QE 0.000 . 7.000 6.138 5.839 6.468 . 0 0 "[ . 1 . 2]" 1
120 1 12 CYS HA 1 13 THR H 0.000 . 3.400 2.655 2.413 2.984 . 0 0 "[ . 1 . 2]" 1
121 1 12 CYS HA 1 16 GLN H 0.000 . 5.000 4.310 3.905 4.670 . 0 0 "[ . 1 . 2]" 1
122 1 12 CYS QB 1 13 THR H 0.000 . 5.280 3.789 3.650 3.871 . 0 0 "[ . 1 . 2]" 1
123 1 12 CYS QB 1 28 CYS HA 0.000 . 5.080 4.517 4.425 4.596 . 0 0 "[ . 1 . 2]" 1
124 1 12 CYS QB 1 31 THR HB 0.000 . 4.380 3.987 3.818 4.039 . 0 0 "[ . 1 . 2]" 1
125 1 12 CYS SG 1 28 CYS CB 0.000 . 3.100 3.052 3.041 3.069 . 0 0 "[ . 1 . 2]" 1
126 1 12 CYS SG 1 28 CYS SG 0.000 . 2.100 2.020 2.016 2.024 . 0 0 "[ . 1 . 2]" 1
127 1 13 THR H 1 13 THR HB 0.000 . 3.500 2.888 2.726 3.143 . 0 0 "[ . 1 . 2]" 1
128 1 13 THR H 1 14 ALA H 0.000 . 4.600 4.564 4.395 4.621 0.021 18 0 "[ . 1 . 2]" 1
129 1 13 THR H 1 16 GLN H 0.000 . 3.500 3.510 3.250 3.571 0.071 10 0 "[ . 1 . 2]" 1
130 1 13 THR H 1 16 GLN QB 0.000 . 4.480 2.880 2.598 3.263 . 0 0 "[ . 1 . 2]" 1
131 1 13 THR H 1 16 GLN QG 0.000 . 4.980 2.884 2.543 3.133 . 0 0 "[ . 1 . 2]" 1
132 1 13 THR HA 1 14 ALA H 0.000 . 3.400 2.353 2.137 2.561 . 0 0 "[ . 1 . 2]" 1
133 1 13 THR HA 1 15 PHE H 0.000 . 3.900 3.976 3.919 4.025 0.125 19 0 "[ . 1 . 2]" 1
134 1 13 THR MG 1 15 PHE H 0.000 . 4.400 2.430 2.019 3.085 . 0 0 "[ . 1 . 2]" 1
135 1 13 THR MG 1 16 GLN H 0.000 . 4.400 2.150 2.012 2.396 . 0 0 "[ . 1 . 2]" 1
136 1 13 THR MG 1 16 GLN HG2 0.000 . 4.400 2.610 2.255 2.989 . 0 0 "[ . 1 . 2]" 1
137 1 13 THR MG 1 16 GLN HG3 0.000 . 4.400 1.935 1.795 2.181 . 0 0 "[ . 1 . 2]" 1
138 1 14 ALA H 1 15 PHE H 0.000 . 2.900 2.604 2.418 2.718 . 0 0 "[ . 1 . 2]" 1
139 1 14 ALA H 1 16 GLN H 0.000 . 4.200 4.267 4.112 4.360 0.160 7 0 "[ . 1 . 2]" 1
140 1 14 ALA HA 1 17 CYS H 0.000 . 3.500 3.514 3.260 3.593 0.093 9 0 "[ . 1 . 2]" 1
141 1 14 ALA HA 1 17 CYS QB 0.000 . 4.380 2.308 1.879 2.721 . 0 0 "[ . 1 . 2]" 1
142 1 14 ALA MB 1 15 PHE H 0.000 . 4.400 2.664 2.292 3.006 . 0 0 "[ . 1 . 2]" 1
143 1 14 ALA MB 1 15 PHE QD 0.000 . 6.400 2.518 2.329 2.775 . 0 0 "[ . 1 . 2]" 1
144 1 15 PHE QB 1 16 GLN H 0.000 . 4.380 2.757 2.209 3.350 . 0 0 "[ . 1 . 2]" 1
145 1 15 PHE QD 1 16 GLN H 0.000 . 5.800 4.121 3.868 4.288 . 0 0 "[ . 1 . 2]" 1
146 1 15 PHE QD 1 16 GLN QB 0.000 . 7.680 5.499 5.343 5.617 . 0 0 "[ . 1 . 2]" 1
147 1 15 PHE QD 1 16 GLN HG2 0.000 . 6.100 4.074 3.832 4.262 . 0 0 "[ . 1 . 2]" 1
148 1 15 PHE QD 1 16 GLN HG3 0.000 . 6.100 4.326 4.050 4.565 . 0 0 "[ . 1 . 2]" 1
149 1 15 PHE QE 1 16 GLN QG 0.000 . 6.780 5.442 5.257 5.545 . 0 0 "[ . 1 . 2]" 1
150 1 16 GLN H 1 17 CYS H 0.000 . 2.900 2.056 1.783 2.551 . 0 0 "[ . 1 . 2]" 1
151 1 16 GLN HA 1 16 GLN HE21 0.000 . 4.800 3.014 2.331 3.930 . 0 0 "[ . 1 . 2]" 1
152 1 16 GLN HA 1 16 GLN QE 0.000 . 4.430 2.964 2.316 3.761 . 0 0 "[ . 1 . 2]" 1
153 1 16 GLN HA 1 16 GLN HE22 0.000 . 4.800 4.465 3.993 4.839 0.039 1 0 "[ . 1 . 2]" 1
154 1 16 GLN HA 1 16 GLN QG 0.000 . 3.950 2.607 2.456 2.755 . 0 0 "[ . 1 . 2]" 1
155 1 16 GLN QB 1 17 CYS H 0.000 . 4.280 2.731 2.190 3.314 . 0 0 "[ . 1 . 2]" 1
156 1 16 GLN QB 1 23 TYR H 0.000 . 5.280 4.748 4.609 4.862 . 0 0 "[ . 1 . 2]" 1
157 1 16 GLN QB 1 23 TYR QE 0.000 . 7.780 2.690 2.357 3.897 . 0 0 "[ . 1 . 2]" 1
158 1 16 GLN HB2 1 23 TYR QD 0.000 . 5.900 2.791 2.334 4.337 . 0 0 "[ . 1 . 2]" 1
159 1 16 GLN HB3 1 23 TYR QD 0.000 . 5.900 2.276 1.929 2.907 . 0 0 "[ . 1 . 2]" 1
160 1 16 GLN HE21 1 23 TYR QD 0.000 . 6.700 4.742 2.668 5.152 . 0 0 "[ . 1 . 2]" 1
161 1 16 GLN HE22 1 16 GLN HG2 0.000 . 3.900 3.546 3.466 3.975 0.075 19 0 "[ . 1 . 2]" 1
162 1 16 GLN HE22 1 16 GLN HG3 0.000 . 3.900 3.976 3.819 4.001 0.101 14 0 "[ . 1 . 2]" 1
163 1 16 GLN HE22 1 23 TYR QD 0.000 . 6.700 4.839 3.360 5.183 . 0 0 "[ . 1 . 2]" 1
164 1 16 GLN QG 1 23 TYR QD 0.000 . 7.580 3.940 3.610 4.658 . 0 0 "[ . 1 . 2]" 1
165 1 16 GLN HG2 1 17 CYS H 0.000 . 4.100 4.140 4.100 4.213 0.113 19 0 "[ . 1 . 2]" 1
166 1 16 GLN HG3 1 17 CYS H 0.000 . 4.100 4.178 4.119 4.245 0.145 14 0 "[ . 1 . 2]" 1
167 1 17 CYS CB 1 32 CYS SG 0.000 . 3.100 3.093 3.056 3.139 0.039 16 0 "[ . 1 . 2]" 1
168 1 17 CYS H 1 17 CYS HB2 0.000 . 3.400 2.310 2.153 2.699 . 0 0 "[ . 1 . 2]" 1
169 1 17 CYS H 1 17 CYS HB3 0.000 . 3.400 2.820 2.535 3.479 0.079 19 0 "[ . 1 . 2]" 1
170 1 17 CYS H 1 18 LYS H 0.000 . 2.900 2.594 2.285 2.949 0.049 11 0 "[ . 1 . 2]" 1
171 1 17 CYS HA 1 23 TYR QB 0.000 . 5.680 4.413 3.693 4.863 . 0 0 "[ . 1 . 2]" 1
172 1 17 CYS HA 1 24 ARG HB2 0.000 . 4.200 2.586 1.848 3.562 . 0 0 "[ . 1 . 2]" 1
173 1 17 CYS HA 1 24 ARG QB 0.000 . 3.960 2.530 1.813 3.399 . 0 0 "[ . 1 . 2]" 1
174 1 17 CYS HA 1 24 ARG HB3 0.000 . 4.200 3.739 2.620 4.294 0.094 5 0 "[ . 1 . 2]" 1
175 1 17 CYS HA 1 24 ARG HG2 0.000 . 4.400 3.064 1.826 4.444 0.044 14 0 "[ . 1 . 2]" 1
176 1 17 CYS HA 1 24 ARG QG 0.000 . 4.110 2.625 1.766 3.796 . 0 0 "[ . 1 . 2]" 1
177 1 17 CYS HA 1 24 ARG HG3 0.000 . 4.400 3.069 2.099 4.476 0.076 17 0 "[ . 1 . 2]" 1
178 1 17 CYS QB 1 18 LYS H 0.000 . 3.440 2.772 2.409 3.117 . 0 0 "[ . 1 . 2]" 1
179 1 17 CYS HB2 1 18 LYS H 0.000 . 3.700 3.702 2.908 3.801 0.101 20 0 "[ . 1 . 2]" 1
180 1 17 CYS HB3 1 18 LYS H 0.000 . 3.700 2.887 2.441 3.354 . 0 0 "[ . 1 . 2]" 1
181 1 17 CYS SG 1 32 CYS CB 0.000 . 3.100 3.073 3.035 3.128 0.028 12 0 "[ . 1 . 2]" 1
182 1 17 CYS SG 1 32 CYS SG 0.000 . 2.100 2.025 2.018 2.029 . 0 0 "[ . 1 . 2]" 1
183 1 18 LYS H 1 18 LYS HB2 0.000 . 3.400 2.772 2.301 3.106 . 0 0 "[ . 1 . 2]" 1
184 1 18 LYS H 1 18 LYS HB3 0.000 . 3.400 2.789 2.431 3.472 0.072 6 0 "[ . 1 . 2]" 1
185 1 18 LYS H 1 18 LYS QD 0.000 . 5.800 4.504 3.965 5.031 . 0 0 "[ . 1 . 2]" 1
186 1 18 LYS H 1 20 SER H 0.000 . 3.800 3.768 3.396 3.863 0.063 16 0 "[ . 1 . 2]" 1
187 1 18 LYS HA 1 18 LYS QZ 0.000 . 6.500 4.569 3.236 5.504 . 0 0 "[ . 1 . 2]" 1
188 1 18 LYS HA 1 24 ARG QD 0.000 . 4.880 4.191 3.973 4.430 . 0 0 "[ . 1 . 2]" 1
189 1 18 LYS QB 1 24 ARG QH1 0.000 . 6.880 4.802 3.680 6.780 . 0 0 "[ . 1 . 2]" 1
190 1 19 HIS H 1 19 HIS HB3 0.000 . 3.800 3.765 3.634 3.857 0.057 16 0 "[ . 1 . 2]" 1
191 1 19 HIS HA 1 19 HIS HE1 0.000 . 4.800 4.603 4.469 4.806 0.006 10 0 "[ . 1 . 2]" 1
192 1 20 SER H 1 20 SER QB 0.000 . 3.720 2.671 2.442 2.874 . 0 0 "[ . 1 . 2]" 1
193 1 20 SER HA 1 23 TYR QD 0.000 . 5.900 4.813 3.851 5.123 . 0 0 "[ . 1 . 2]" 1
194 1 20 SER HA 1 23 TYR QE 0.000 . 6.000 4.801 4.016 5.161 . 0 0 "[ . 1 . 2]" 1
195 1 20 SER QB 1 23 TYR H 0.000 . 4.060 3.223 2.753 3.731 . 0 0 "[ . 1 . 2]" 1
196 1 20 SER QB 1 23 TYR QB 0.000 . 6.450 3.490 3.052 3.922 . 0 0 "[ . 1 . 2]" 1
197 1 20 SER QB 1 23 TYR QD 0.000 . 5.320 2.170 1.973 2.499 . 0 0 "[ . 1 . 2]" 1
198 1 20 SER QB 1 23 TYR QE 0.000 . 6.950 2.489 2.029 2.750 . 0 0 "[ . 1 . 2]" 1
199 1 20 SER HB2 1 23 TYR H 0.000 . 4.400 3.723 3.320 4.439 0.039 11 0 "[ . 1 . 2]" 1
200 1 20 SER HB2 1 23 TYR QD 0.000 . 6.000 2.311 2.066 2.746 . 0 0 "[ . 1 . 2]" 1
201 1 20 SER HB2 1 23 TYR QE 0.000 . 7.100 3.139 2.561 3.757 . 0 0 "[ . 1 . 2]" 1
202 1 20 SER HB3 1 23 TYR H 0.000 . 4.400 3.576 2.940 4.406 0.006 9 0 "[ . 1 . 2]" 1
203 1 20 SER HB3 1 23 TYR QD 0.000 . 6.000 2.855 2.079 3.527 . 0 0 "[ . 1 . 2]" 1
204 1 20 SER HB3 1 23 TYR QE 0.000 . 7.100 2.667 2.080 2.965 . 0 0 "[ . 1 . 2]" 1
205 1 21 MET HA 1 21 MET ME 0.000 . 4.400 2.794 2.084 3.532 . 0 0 "[ . 1 . 2]" 1
206 1 21 MET HA 1 24 ARG H 0.000 . 3.500 3.281 2.670 3.552 0.052 14 0 "[ . 1 . 2]" 1
207 1 21 MET HA 1 24 ARG HB2 0.000 . 3.900 3.351 2.565 3.924 0.024 17 0 "[ . 1 . 2]" 1
208 1 21 MET HA 1 24 ARG QB 0.000 . 3.700 2.171 1.940 2.356 . 0 0 "[ . 1 . 2]" 1
209 1 21 MET HA 1 24 ARG HB3 0.000 . 3.900 2.212 1.974 2.530 . 0 0 "[ . 1 . 2]" 1
210 1 21 MET HA 1 24 ARG QG 0.000 . 4.580 3.873 2.729 4.219 . 0 0 "[ . 1 . 2]" 1
211 1 21 MET HA 1 25 LEU H 0.000 . 3.800 3.303 2.843 3.914 0.114 6 0 "[ . 1 . 2]" 1
212 1 21 MET HA 1 25 LEU HB3 0.000 . 4.400 4.452 4.404 4.507 0.107 1 0 "[ . 1 . 2]" 1
213 1 21 MET ME 1 25 LEU H 0.000 . 4.400 3.462 2.438 3.695 . 0 0 "[ . 1 . 2]" 1
214 1 21 MET ME 1 25 LEU MD1 0.000 . 5.400 2.173 1.822 3.239 . 0 0 "[ . 1 . 2]" 1
215 1 21 MET ME 1 25 LEU MD2 0.000 . 5.400 3.306 1.906 3.622 . 0 0 "[ . 1 . 2]" 1
216 1 23 TYR H 1 23 TYR HB2 0.000 . 3.900 2.858 2.698 2.949 . 0 0 "[ . 1 . 2]" 1
217 1 23 TYR H 1 23 TYR HB3 0.000 . 3.900 3.766 3.578 3.882 . 0 0 "[ . 1 . 2]" 1
218 1 23 TYR H 1 23 TYR QE 0.000 . 6.000 4.501 3.981 4.912 . 0 0 "[ . 1 . 2]" 1
219 1 23 TYR HA 1 23 TYR QE 0.000 . 5.500 4.719 4.478 4.931 . 0 0 "[ . 1 . 2]" 1
220 1 23 TYR HA 1 27 PHE H 0.000 . 3.400 3.441 3.222 3.529 0.129 17 0 "[ . 1 . 2]" 1
221 1 23 TYR HA 1 27 PHE QB 0.000 . 4.280 1.927 1.869 2.022 . 0 0 "[ . 1 . 2]" 1
222 1 23 TYR HA 1 27 PHE QD 0.000 . 4.700 2.623 2.154 2.983 . 0 0 "[ . 1 . 2]" 1
223 1 23 TYR HA 1 27 PHE QE 0.000 . 5.400 3.970 3.738 4.113 . 0 0 "[ . 1 . 2]" 1
224 1 23 TYR HA 1 27 PHE HZ 0.000 . 5.100 5.152 5.105 5.203 0.103 10 0 "[ . 1 . 2]" 1
225 1 23 TYR HA 1 28 CYS H 0.000 . 3.800 3.723 3.440 3.840 0.040 4 0 "[ . 1 . 2]" 1
226 1 23 TYR QB 1 24 ARG H 0.000 . 3.480 2.235 1.990 2.603 . 0 0 "[ . 1 . 2]" 1
227 1 23 TYR QB 1 27 PHE QD 0.000 . 6.100 3.857 3.259 4.364 . 0 0 "[ . 1 . 2]" 1
228 1 23 TYR QB 1 27 PHE QE 0.000 . 7.780 5.309 4.933 5.606 . 0 0 "[ . 1 . 2]" 1
229 1 23 TYR HB2 1 27 PHE QD 0.000 . 6.500 5.009 4.599 5.370 . 0 0 "[ . 1 . 2]" 1
230 1 23 TYR HB3 1 27 PHE QD 0.000 . 6.500 4.044 3.334 4.683 . 0 0 "[ . 1 . 2]" 1
231 1 23 TYR QD 1 24 ARG H 0.000 . 6.200 3.630 3.343 3.864 . 0 0 "[ . 1 . 2]" 1
232 1 23 TYR QD 1 25 LEU H 0.000 . 6.400 5.492 5.212 5.761 . 0 0 "[ . 1 . 2]" 1
233 1 23 TYR QD 1 27 PHE QB 0.000 . 7.080 3.471 3.198 3.747 . 0 0 "[ . 1 . 2]" 1
234 1 23 TYR QE 1 27 PHE QB 0.000 . 7.880 5.406 5.088 5.715 . 0 0 "[ . 1 . 2]" 1
235 1 23 TYR QE 1 27 PHE QD 0.000 . 8.800 4.575 3.846 5.491 . 0 0 "[ . 1 . 2]" 1
236 1 24 ARG H 1 24 ARG QB 0.000 . 3.720 1.991 1.907 2.085 . 0 0 "[ . 1 . 2]" 1
237 1 24 ARG H 1 24 ARG QD 0.000 . 5.180 4.410 3.919 4.633 . 0 0 "[ . 1 . 2]" 1
238 1 24 ARG H 1 24 ARG HG2 0.000 . 4.200 3.929 3.408 4.254 0.054 19 0 "[ . 1 . 2]" 1
239 1 24 ARG H 1 24 ARG QG 0.000 . 3.960 3.563 3.247 3.723 . 0 0 "[ . 1 . 2]" 1
240 1 24 ARG H 1 24 ARG HG3 0.000 . 4.200 4.113 3.969 4.212 0.012 6 0 "[ . 1 . 2]" 1
241 1 24 ARG H 1 25 LEU H 0.000 . 2.900 2.925 2.798 2.990 0.090 3 0 "[ . 1 . 2]" 1
242 1 24 ARG HA 1 24 ARG HD2 0.000 . 3.900 3.157 2.222 3.987 0.087 19 0 "[ . 1 . 2]" 1
243 1 24 ARG HA 1 24 ARG QD 0.000 . 3.650 2.916 2.205 3.425 . 0 0 "[ . 1 . 2]" 1
244 1 24 ARG HA 1 24 ARG HD3 0.000 . 3.900 3.756 3.495 3.919 0.019 15 0 "[ . 1 . 2]" 1
245 1 24 ARG HA 1 24 ARG QG 0.000 . 3.820 2.268 1.946 3.084 . 0 0 "[ . 1 . 2]" 1
246 1 24 ARG HA 1 32 CYS QB 0.000 . 4.380 2.877 2.463 3.238 . 0 0 "[ . 1 . 2]" 1
247 1 24 ARG HA 1 33 GLY H 0.000 . 5.100 5.154 5.108 5.216 0.116 20 0 "[ . 1 . 2]" 1
248 1 24 ARG QB 1 32 CYS QB 0.000 . 5.550 3.880 3.269 4.481 . 0 0 "[ . 1 . 2]" 1
249 1 24 ARG HB2 1 24 ARG HE 0.000 . 3.800 3.715 3.294 3.939 0.139 15 0 "[ . 1 . 2]" 1
250 1 24 ARG HB3 1 24 ARG HE 0.000 . 3.800 2.774 2.092 3.897 0.097 9 0 "[ . 1 . 2]" 1
251 1 24 ARG QD 1 25 LEU H 0.000 . 5.680 4.828 4.338 5.127 . 0 0 "[ . 1 . 2]" 1
252 1 24 ARG HE 1 24 ARG HG2 0.000 . 3.900 3.175 2.068 3.779 . 0 0 "[ . 1 . 2]" 1
253 1 24 ARG HE 1 24 ARG HG3 0.000 . 3.900 3.227 2.535 3.746 . 0 0 "[ . 1 . 2]" 1
254 1 24 ARG HE 1 34 THR MG 0.000 . 4.400 3.373 2.279 3.778 . 0 0 "[ . 1 . 2]" 1
255 1 24 ARG QG 1 32 CYS QB 0.000 . 5.150 2.562 1.842 3.863 . 0 0 "[ . 1 . 2]" 1
256 1 25 LEU H 1 26 SER H 0.000 . 2.900 2.836 2.404 3.002 0.102 10 0 "[ . 1 . 2]" 1
257 1 25 LEU HB2 1 27 PHE H 0.000 . 4.700 4.865 4.822 4.900 0.200 18 0 "[ . 1 . 2]" 1
258 1 25 LEU HB3 1 27 PHE H 0.000 . 3.600 3.561 3.395 3.624 0.024 4 0 "[ . 1 . 2]" 1
259 1 25 LEU QD 1 26 SER H 0.000 . 5.970 3.156 2.038 3.443 . 0 0 "[ . 1 . 2]" 1
260 1 26 SER H 1 26 SER QB 0.000 . 3.860 2.785 2.443 3.095 . 0 0 "[ . 1 . 2]" 1
261 1 26 SER HA 1 28 CYS H 0.000 . 4.400 4.378 3.992 4.480 0.080 3 0 "[ . 1 . 2]" 1
262 1 26 SER QB 1 27 PHE H 0.000 . 4.280 3.734 3.488 3.942 . 0 0 "[ . 1 . 2]" 1
263 1 26 SER QB 1 27 PHE QD 0.000 . 7.180 3.397 2.715 4.060 . 0 0 "[ . 1 . 2]" 1
264 1 26 SER QB 1 27 PHE QE 0.000 . 7.480 3.903 3.241 4.444 . 0 0 "[ . 1 . 2]" 1
265 1 27 PHE H 1 27 PHE QB 0.000 . 3.800 2.736 2.572 2.883 . 0 0 "[ . 1 . 2]" 1
266 1 27 PHE H 1 29 ARG H 0.000 . 4.100 3.947 3.681 4.133 0.033 18 0 "[ . 1 . 2]" 1
267 1 27 PHE HA 1 27 PHE QE 0.000 . 5.200 4.796 4.631 4.924 . 0 0 "[ . 1 . 2]" 1
268 1 27 PHE QD 1 28 CYS H 0.000 . 6.900 3.957 3.324 4.413 . 0 0 "[ . 1 . 2]" 1
269 1 28 CYS HA 1 29 ARG H 0.000 . 3.400 2.619 2.511 2.726 . 0 0 "[ . 1 . 2]" 1
270 1 28 CYS HA 1 30 LYS H 0.000 . 4.300 3.986 3.807 4.189 . 0 0 "[ . 1 . 2]" 1
271 1 28 CYS HA 1 31 THR H 0.000 . 4.700 3.743 3.388 3.983 . 0 0 "[ . 1 . 2]" 1
272 1 28 CYS HA 1 31 THR HB 0.000 . 4.200 2.338 2.075 2.593 . 0 0 "[ . 1 . 2]" 1
273 1 28 CYS HA 1 32 CYS H 0.000 . 4.600 4.335 4.118 4.614 0.014 14 0 "[ . 1 . 2]" 1
274 1 28 CYS HB2 1 29 ARG H 0.000 . 4.500 4.173 4.094 4.302 . 0 0 "[ . 1 . 2]" 1
275 1 28 CYS HB2 1 31 THR HB 0.000 . 3.900 2.882 2.529 3.220 . 0 0 "[ . 1 . 2]" 1
276 1 28 CYS HB2 1 32 CYS H 0.000 . 4.200 3.060 2.710 3.269 . 0 0 "[ . 1 . 2]" 1
277 1 28 CYS HB2 1 32 CYS QB 0.000 . 4.280 2.384 2.116 2.797 . 0 0 "[ . 1 . 2]" 1
278 1 28 CYS HB3 1 31 THR H 0.000 . 4.500 4.374 3.931 4.516 0.016 15 0 "[ . 1 . 2]" 1
279 1 28 CYS HB3 1 31 THR MG 0.000 . 4.400 2.140 2.025 2.373 . 0 0 "[ . 1 . 2]" 1
280 1 29 ARG H 1 29 ARG QB 0.000 . 3.720 2.214 2.100 2.356 . 0 0 "[ . 1 . 2]" 1
281 1 29 ARG H 1 29 ARG HD2 0.000 . 4.100 3.371 2.265 4.027 . 0 0 "[ . 1 . 2]" 1
282 1 29 ARG H 1 29 ARG QD 0.000 . 3.810 2.943 2.107 3.529 . 0 0 "[ . 1 . 2]" 1
283 1 29 ARG H 1 29 ARG HD3 0.000 . 4.100 3.527 2.123 4.169 0.069 1 0 "[ . 1 . 2]" 1
284 1 29 ARG H 1 29 ARG QG 0.000 . 4.400 2.579 1.827 3.754 . 0 0 "[ . 1 . 2]" 1
285 1 29 ARG H 1 30 LYS QG 0.000 . 5.700 4.846 4.416 5.028 . 0 0 "[ . 1 . 2]" 1
286 1 29 ARG HA 1 29 ARG HE 0.000 . 5.400 4.733 4.187 5.431 0.031 19 0 "[ . 1 . 2]" 1
287 1 29 ARG HA 1 34 THR H 0.000 . 3.700 3.111 2.639 3.471 . 0 0 "[ . 1 . 2]" 1
288 1 29 ARG HA 1 35 CYS H 0.000 . 4.200 3.227 2.655 3.640 . 0 0 "[ . 1 . 2]" 1
289 1 29 ARG QB 1 31 THR H 0.000 . 4.580 3.941 3.742 4.116 . 0 0 "[ . 1 . 2]" 1
290 1 29 ARG QB 1 32 CYS H 0.000 . 5.480 5.014 4.978 5.063 . 0 0 "[ . 1 . 2]" 1
291 1 29 ARG QB 1 34 THR H 0.000 . 5.180 4.498 4.292 4.648 . 0 0 "[ . 1 . 2]" 1
292 1 29 ARG QB 1 35 CYS H 0.000 . 4.680 3.857 3.198 4.134 . 0 0 "[ . 1 . 2]" 1
293 1 30 LYS H 1 30 LYS QE 0.000 . 5.600 4.570 3.873 4.876 . 0 0 "[ . 1 . 2]" 1
294 1 30 LYS H 1 30 LYS QG 0.000 . 4.500 2.296 1.963 2.543 . 0 0 "[ . 1 . 2]" 1
295 1 30 LYS H 1 31 THR H 0.000 . 3.200 2.122 1.975 2.314 . 0 0 "[ . 1 . 2]" 1
296 1 30 LYS H 1 32 CYS H 0.000 . 4.000 3.851 3.575 3.999 . 0 0 "[ . 1 . 2]" 1
297 1 30 LYS HA 1 30 LYS QE 0.000 . 5.000 4.048 2.560 4.504 . 0 0 "[ . 1 . 2]" 1
298 1 30 LYS HA 1 33 GLY H 0.000 . 3.600 3.484 3.198 3.654 0.054 20 0 "[ . 1 . 2]" 1
299 1 31 THR H 1 31 THR HB 0.000 . 3.600 2.412 2.233 2.566 . 0 0 "[ . 1 . 2]" 1
300 1 31 THR H 1 32 CYS H 0.000 . 3.500 2.909 2.247 3.130 . 0 0 "[ . 1 . 2]" 1
301 1 31 THR H 1 33 GLY H 0.000 . 4.300 4.252 3.573 4.351 0.051 19 0 "[ . 1 . 2]" 1
302 1 31 THR HB 1 32 CYS H 0.000 . 3.500 2.942 2.671 3.112 . 0 0 "[ . 1 . 2]" 1
303 1 31 THR MG 1 32 CYS H 0.000 . 4.400 3.454 3.227 3.608 . 0 0 "[ . 1 . 2]" 1
304 1 32 CYS H 1 32 CYS QB 0.000 . 3.720 2.414 2.279 2.558 . 0 0 "[ . 1 . 2]" 1
305 1 32 CYS H 1 33 GLY H 0.000 . 2.900 1.939 1.838 2.039 . 0 0 "[ . 1 . 2]" 1
306 1 32 CYS H 1 34 THR H 0.000 . 3.800 3.879 3.807 3.922 0.122 7 0 "[ . 1 . 2]" 1
307 1 32 CYS QB 1 33 GLY H 0.000 . 3.960 2.470 2.209 2.709 . 0 0 "[ . 1 . 2]" 1
308 1 32 CYS QB 1 34 THR H 0.000 . 4.780 3.723 3.439 4.263 . 0 0 "[ . 1 . 2]" 1
309 1 32 CYS HB2 1 33 GLY H 0.000 . 4.200 3.023 2.285 3.861 . 0 0 "[ . 1 . 2]" 1
310 1 32 CYS HB3 1 33 GLY H 0.000 . 4.200 2.871 2.323 3.406 . 0 0 "[ . 1 . 2]" 1
311 1 33 GLY H 1 34 THR H 0.000 . 2.900 2.232 2.104 2.362 . 0 0 "[ . 1 . 2]" 1
312 1 34 THR H 1 34 THR HB 0.000 . 3.400 3.467 3.394 3.547 0.147 16 0 "[ . 1 . 2]" 1
313 1 34 THR H 1 34 THR MG 0.000 . 4.400 2.871 1.827 3.574 . 0 0 "[ . 1 . 2]" 1
314 1 34 THR H 1 35 CYS H 0.000 . 2.900 2.373 2.126 2.723 . 0 0 "[ . 1 . 2]" 1
315 1 35 CYS H 1 35 CYS HB2 0.000 . 3.400 3.531 3.424 3.570 0.170 11 0 "[ . 1 . 2]" 1
316 1 35 CYS H 1 35 CYS HB3 0.000 . 3.400 2.931 2.410 3.393 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 2:21:51 PM GMT (wattos1)