NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
642700 |
6mi9   |
30516 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6mi9
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 179
_Distance_constraint_stats_list.Viol_count 606
_Distance_constraint_stats_list.Viol_total 4139.568
_Distance_constraint_stats_list.Viol_max 3.318
_Distance_constraint_stats_list.Viol_rms 0.5387
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2313
_Distance_constraint_stats_list.Viol_average_violations_only 0.6831
_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 PRO 0.367 0.097 3 0 "[ . 1]"
1 2 MET 9.495 0.902 6 10 [-****+****]
1 3 ALA 20.441 1.364 9 10 [-*******+*]
1 4 ARG 42.581 1.979 8 10 [*****-*+**]
1 5 ASN 12.508 1.479 4 10 [***+*-****]
1 6 LYS 30.783 1.979 8 10 [-******+**]
1 7 ILE 25.305 2.009 1 10 [+***-*****]
1 8 LEU 11.714 2.009 1 4 "[+* . ** 1]"
1 9 GLY 0.368 0.279 4 0 "[ . 1]"
1 10 LYS 12.741 0.859 5 6 "[ -**+ * *]"
1 11 ILE 91.933 3.252 1 10 [+-********]
1 12 LEU 22.554 1.104 4 10 [***+***-**]
1 13 ARG 153.476 3.318 1 10 [+****-****]
1 14 LYS 54.889 2.684 2 10 [*+*****-**]
1 15 ILE 74.001 3.318 1 10 [+*********]
1 16 ALA 6.178 1.360 2 1 "[ + . 1]"
1 17 ALA 43.890 1.913 1 10 [+-********]
1 18 PHE 58.981 2.864 5 10 [****+*-***]
1 19 LYS 82.748 2.864 5 10 [****+*-***]
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 PRO HA 1 2 MET H 5.000 . 5.000 2.990 2.223 3.576 . 0 0 "[ . 1]" 1
2 1 1 PRO HB2 1 1 PRO HD2 3.400 . 3.400 3.239 3.156 3.378 . 0 0 "[ . 1]" 1
3 1 1 PRO HB2 1 2 MET HA 5.000 . 5.000 4.403 3.769 5.037 0.037 3 0 "[ . 1]" 1
4 1 1 PRO HD2 1 2 MET HA 5.000 . 5.000 4.967 4.483 5.097 0.097 3 0 "[ . 1]" 1
5 1 2 MET H 1 2 MET HA 2.800 . 2.800 2.778 2.754 2.816 0.016 5 0 "[ . 1]" 1
6 1 2 MET H 1 2 MET QB 2.800 . 2.800 2.446 2.063 2.700 . 0 0 "[ . 1]" 1
7 1 2 MET H 1 2 MET HG2 3.400 . 3.400 3.046 2.138 4.302 0.902 6 1 "[ .+ 1]" 1
8 1 2 MET H 1 3 ALA H 5.000 . 5.000 2.781 2.660 2.873 . 0 0 "[ . 1]" 1
9 1 2 MET H 1 3 ALA MB 5.000 . 5.000 4.419 4.315 4.496 . 0 0 "[ . 1]" 1
10 1 2 MET HA 1 3 ALA H 2.800 . 2.800 3.515 3.420 3.560 0.760 9 10 [-*******+*] 1
11 1 2 MET QB 1 3 ALA H 5.000 . 5.000 2.901 2.472 3.476 . 0 0 "[ . 1]" 1
12 1 2 MET HG2 1 3 ALA H 5.000 . 5.000 4.422 1.955 5.201 0.201 7 0 "[ . 1]" 1
13 1 3 ALA H 1 3 ALA MB 2.800 . 2.800 2.182 2.063 2.257 . 0 0 "[ . 1]" 1
14 1 3 ALA H 1 4 ARG H 5.000 . 5.000 2.734 2.544 2.818 . 0 0 "[ . 1]" 1
15 1 3 ALA H 1 4 ARG QB 5.000 . 5.000 4.623 4.266 4.980 . 0 0 "[ . 1]" 1
16 1 3 ALA H 1 4 ARG QG 5.000 . 5.000 5.226 3.934 6.364 1.364 9 4 "[ .**-+1]" 1
17 1 3 ALA HA 1 4 ARG H 2.800 . 2.800 3.546 3.508 3.567 0.767 2 10 [*+***-****] 1
18 1 3 ALA MB 1 4 ARG H 2.800 . 2.800 2.529 2.391 2.738 . 0 0 "[ . 1]" 1
19 1 4 ARG H 1 4 ARG HA 2.800 . 2.800 2.818 2.774 2.877 0.077 3 0 "[ . 1]" 1
20 1 4 ARG H 1 4 ARG QB 2.800 . 2.800 2.357 2.196 2.638 . 0 0 "[ . 1]" 1
21 1 4 ARG H 1 4 ARG QD 5.000 . 5.000 4.108 2.759 5.020 0.020 7 0 "[ . 1]" 1
22 1 4 ARG H 1 4 ARG HE 5.000 . 5.000 4.350 3.075 5.087 0.087 4 0 "[ . 1]" 1
23 1 4 ARG H 1 6 LYS HA 5.000 . 5.000 6.838 6.732 6.979 1.979 8 10 [-******+**] 1
24 1 4 ARG HA 1 4 ARG HE 5.000 . 5.000 3.891 2.072 4.902 . 0 0 "[ . 1]" 1
25 1 4 ARG QB 1 4 ARG HE 5.000 . 5.000 2.229 1.691 3.146 0.109 2 0 "[ . 1]" 1
26 1 4 ARG QB 1 5 ASN H 2.800 . 2.800 2.495 2.375 2.582 . 0 0 "[ . 1]" 1
27 1 4 ARG QD 1 4 ARG HE 2.800 . 2.800 2.432 2.258 2.510 . 0 0 "[ . 1]" 1
28 1 4 ARG QD 1 5 ASN H 5.000 . 5.000 4.779 4.148 5.157 0.157 3 0 "[ . 1]" 1
29 1 4 ARG HE 1 4 ARG QG 3.400 . 3.400 2.670 2.274 3.202 . 0 0 "[ . 1]" 1
30 1 4 ARG QG 1 5 ASN H 2.800 . 2.800 3.853 3.314 4.279 1.479 4 10 [***+*-****] 1
31 1 5 ASN H 1 5 ASN HB2 2.800 . 2.800 2.519 2.201 3.162 0.362 10 0 "[ . 1]" 1
32 1 5 ASN H 1 5 ASN QD 5.000 . 5.000 4.271 3.439 4.706 . 0 0 "[ . 1]" 1
33 1 5 ASN HA 1 6 LYS H 3.400 . 3.400 3.537 3.507 3.552 0.152 9 0 "[ . 1]" 1
34 1 5 ASN HB2 1 5 ASN QD 3.400 . 3.400 2.927 2.342 3.296 . 0 0 "[ . 1]" 1
35 1 6 LYS H 1 7 ILE H 5.000 . 5.000 2.667 2.580 2.820 . 0 0 "[ . 1]" 1
36 1 6 LYS H 1 7 ILE HA 5.000 . 5.000 5.277 5.193 5.398 0.398 7 0 "[ . 1]" 1
37 1 6 LYS HA 1 6 LYS HB2 . . 2.800 2.770 2.521 2.932 0.132 9 0 "[ . 1]" 1
38 1 6 LYS HA 1 6 LYS QD 5.000 . 5.000 2.325 1.850 3.353 . 0 0 "[ . 1]" 1
39 1 6 LYS HA 1 7 ILE H 5.000 . 5.000 3.563 3.540 3.585 . 0 0 "[ . 1]" 1
40 1 6 LYS HB3 1 7 ILE H 2.800 . 2.800 2.710 2.460 3.048 0.248 9 0 "[ . 1]" 1
41 1 6 LYS QD 1 7 ILE H 3.400 . 3.400 4.127 3.218 4.499 1.099 9 8 "[-** *** +*]" 1
42 1 6 LYS QD 1 7 ILE HA 5.000 . 5.000 4.125 2.993 4.759 . 0 0 "[ . 1]" 1
43 1 7 ILE H 1 7 ILE MD 2.800 . 2.800 3.552 3.309 3.732 0.932 3 10 [**+*-*****] 1
44 1 7 ILE H 1 7 ILE HG13 5.000 . 5.000 3.138 2.224 3.542 . 0 0 "[ . 1]" 1
45 1 7 ILE H 1 8 LEU H . . 3.400 2.686 2.509 2.830 . 0 0 "[ . 1]" 1
46 1 7 ILE H 1 8 LEU HG 5.000 . 5.000 5.300 4.029 7.009 2.009 1 4 "[+* . -* 1]" 1
47 1 7 ILE HA 1 8 LEU H 5.000 . 5.000 3.564 3.507 3.606 . 0 0 "[ . 1]" 1
48 1 7 ILE HB 1 8 LEU HA 5.000 . 5.000 4.401 4.203 4.554 . 0 0 "[ . 1]" 1
49 1 8 LEU H 1 8 LEU HA 2.800 . 2.800 2.832 2.790 2.866 0.066 3 0 "[ . 1]" 1
50 1 8 LEU H 1 8 LEU QD 2.800 . 2.800 3.231 2.920 3.762 0.962 7 3 "[- . +* 1]" 1
51 1 8 LEU QD 1 9 GLY HA2 5.000 . 5.000 2.931 2.204 3.857 . 0 0 "[ . 1]" 1
52 1 9 GLY H 1 9 GLY HA2 2.800 . 2.800 2.798 2.777 2.826 0.026 5 0 "[ . 1]" 1
53 1 9 GLY H 1 10 LYS H 3.400 . 3.400 2.702 2.662 2.741 . 0 0 "[ . 1]" 1
54 1 9 GLY HA2 1 10 LYS H 5.000 . 5.000 3.527 3.503 3.553 . 0 0 "[ . 1]" 1
55 1 9 GLY HA2 1 12 LEU HB2 5.000 . 5.000 2.866 2.319 3.499 . 0 0 "[ . 1]" 1
56 1 9 GLY HA2 1 13 ARG H 5.000 . 5.000 4.813 4.393 5.279 0.279 4 0 "[ . 1]" 1
57 1 10 LYS H 1 10 LYS HB3 3.400 . 3.400 2.820 2.332 3.231 . 0 0 "[ . 1]" 1
58 1 10 LYS H 1 10 LYS HD2 5.000 . 5.000 4.831 4.641 5.036 0.036 4 0 "[ . 1]" 1
59 1 10 LYS H 1 10 LYS QG 3.400 . 3.400 3.798 3.459 4.023 0.623 10 4 "[ * - * +]" 1
60 1 10 LYS H 1 11 ILE H 3.400 . 3.400 2.593 2.476 2.693 . 0 0 "[ . 1]" 1
61 1 10 LYS H 1 11 ILE HA 5.000 . 5.000 5.232 5.135 5.308 0.308 5 0 "[ . 1]" 1
62 1 10 LYS H 1 11 ILE MD 5.000 . 5.000 5.229 4.443 5.859 0.859 5 3 "[ - *+ 1]" 1
63 1 10 LYS HA 1 10 LYS HB3 2.800 . 2.800 2.979 2.873 3.029 0.229 3 0 "[ . 1]" 1
64 1 10 LYS HA 1 11 ILE H . . 3.400 3.521 3.504 3.542 0.142 5 0 "[ . 1]" 1
65 1 10 LYS HB3 1 11 ILE H 2.800 . 2.800 2.757 2.612 2.972 0.172 9 0 "[ . 1]" 1
66 1 10 LYS HD2 1 11 ILE HA 5.000 . 5.000 4.166 3.044 4.885 . 0 0 "[ . 1]" 1
67 1 10 LYS QG 1 11 ILE H 5.000 . 5.000 4.213 3.239 4.564 . 0 0 "[ . 1]" 1
68 1 11 ILE H 1 11 ILE MD . . 2.800 3.397 2.776 3.875 1.075 5 6 "[ *-*+* *]" 1
69 1 11 ILE H 1 11 ILE QG 5.000 . 5.000 2.045 1.700 2.410 0.100 7 0 "[ . 1]" 1
70 1 11 ILE H 1 13 ARG H 3.400 . 3.400 4.436 4.228 4.670 1.270 1 10 [+*-*******] 1
71 1 11 ILE HA 1 11 ILE MD 3.400 . 3.400 2.151 2.015 2.502 . 0 0 "[ . 1]" 1
72 1 11 ILE HA 1 11 ILE QG 2.800 . 2.800 2.822 2.544 3.147 0.347 7 0 "[ . 1]" 1
73 1 11 ILE HA 1 11 ILE MG 3.400 . 3.400 2.280 2.133 2.420 . 0 0 "[ . 1]" 1
74 1 11 ILE HA 1 12 LEU H 5.000 . 5.000 3.510 3.484 3.540 . 0 0 "[ . 1]" 1
75 1 11 ILE HA 1 13 ARG H 5.000 . 5.000 4.295 4.103 4.461 . 0 0 "[ . 1]" 1
76 1 11 ILE HA 1 14 LYS H 5.000 . 5.000 3.308 3.133 3.426 . 0 0 "[ . 1]" 1
77 1 11 ILE HA 1 15 ILE H 5.000 . 5.000 4.426 4.036 4.893 . 0 0 "[ . 1]" 1
78 1 11 ILE QG 1 13 ARG H 5.000 . 5.000 5.794 5.585 5.928 0.928 1 10 [+*-*******] 1
79 1 11 ILE QG 1 13 ARG HA 5.000 . 5.000 8.136 7.977 8.252 3.252 1 10 [+*-*******] 1
80 1 11 ILE MG 1 13 ARG H 3.400 . 3.400 5.074 4.804 5.321 1.921 1 10 [+**-******] 1
81 1 11 ILE MG 1 13 ARG QD 5.000 . 5.000 6.163 5.379 6.383 1.383 3 9 "[**+ *****-]" 1
82 1 12 LEU H 1 12 LEU HB2 2.800 . 2.800 2.393 2.197 2.646 . 0 0 "[ . 1]" 1
83 1 12 LEU H 1 13 ARG H . . 3.400 2.800 2.694 2.931 . 0 0 "[ . 1]" 1
84 1 12 LEU H 1 13 ARG QD 5.000 . 5.000 3.735 3.155 4.083 . 0 0 "[ . 1]" 1
85 1 12 LEU H 1 13 ARG QG 2.800 . 2.800 3.649 3.547 3.904 1.104 4 10 [**-+******] 1
86 1 12 LEU H 1 14 LYS H 3.400 . 3.400 4.042 3.845 4.193 0.793 4 9 "[***+***- *]" 1
87 1 12 LEU HA 1 13 ARG QD 5.000 . 5.000 4.619 4.418 4.895 . 0 0 "[ . 1]" 1
88 1 12 LEU HA 1 13 ARG QG 5.000 . 5.000 4.916 4.893 4.936 . 0 0 "[ . 1]" 1
89 1 12 LEU HA 1 14 LYS H . . 3.400 4.003 3.842 4.288 0.888 1 8 "[+ **-** **]" 1
90 1 12 LEU HA 1 14 LYS HG2 5.000 . 5.000 5.074 5.006 5.123 0.123 9 0 "[ . 1]" 1
91 1 12 LEU HB2 1 13 ARG H 2.800 . 2.800 2.702 2.483 2.971 0.171 4 0 "[ . 1]" 1
92 1 12 LEU HB2 1 13 ARG QD . . 2.800 2.577 2.248 3.084 0.284 4 0 "[ . 1]" 1
93 1 12 LEU HB2 1 13 ARG HE 5.000 . 5.000 4.896 4.639 5.043 0.043 7 0 "[ . 1]" 1
94 1 13 ARG H 1 13 ARG HB2 2.800 . 2.800 3.127 2.850 3.454 0.654 4 2 "[- +. 1]" 1
95 1 13 ARG H 1 13 ARG QG 3.400 . 3.400 1.642 1.581 1.833 0.219 5 0 "[ . 1]" 1
96 1 13 ARG H 1 14 LYS H 5.000 . 5.000 2.634 2.584 2.701 . 0 0 "[ . 1]" 1
97 1 13 ARG H 1 14 LYS QB 3.400 . 3.400 4.966 4.879 5.083 1.683 3 10 [**+-******] 1
98 1 13 ARG H 1 14 LYS QD 5.000 . 5.000 5.327 4.698 5.616 0.616 4 4 "[ * +.- * 1]" 1
99 1 13 ARG H 1 15 ILE H 5.000 . 5.000 4.163 4.026 4.361 . 0 0 "[ . 1]" 1
100 1 13 ARG HA 1 13 ARG QD 3.400 . 3.400 3.127 2.671 3.769 0.369 4 0 "[ . 1]" 1
101 1 13 ARG HA 1 13 ARG HE 5.000 . 5.000 2.216 1.931 2.536 . 0 0 "[ . 1]" 1
102 1 13 ARG HA 1 14 LYS H 5.000 . 5.000 3.498 3.467 3.526 . 0 0 "[ . 1]" 1
103 1 13 ARG HA 1 14 LYS HE2 5.000 . 5.000 4.631 4.257 4.933 . 0 0 "[ . 1]" 1
104 1 13 ARG HA 1 15 ILE H 3.400 . 3.400 4.421 4.245 4.585 1.185 10 10 [********-+] 1
105 1 13 ARG HB2 1 13 ARG HE . . 3.400 3.280 3.194 3.366 . 0 0 "[ . 1]" 1
106 1 13 ARG HB2 1 14 LYS H 5.000 . 5.000 3.007 2.765 3.271 . 0 0 "[ . 1]" 1
107 1 13 ARG HB2 1 14 LYS HE2 2.800 . 2.800 2.269 1.896 2.819 0.019 4 0 "[ . 1]" 1
108 1 13 ARG QD 1 15 ILE HA 5.000 . 5.000 8.064 7.862 8.318 3.318 1 10 [+*****-***] 1
109 1 13 ARG QG 1 14 LYS H 5.000 . 5.000 3.095 2.419 3.565 . 0 0 "[ . 1]" 1
110 1 14 LYS H 1 14 LYS HA 2.800 . 2.800 2.861 2.823 2.882 0.082 3 0 "[ . 1]" 1
111 1 14 LYS H 1 14 LYS QB 2.800 . 2.800 2.717 2.664 2.823 0.023 3 0 "[ . 1]" 1
112 1 14 LYS H 1 14 LYS QD 3.400 . 3.400 3.402 2.704 3.749 0.349 2 0 "[ . 1]" 1
113 1 14 LYS H 1 14 LYS HE2 5.000 . 5.000 2.799 2.450 3.086 . 0 0 "[ . 1]" 1
114 1 14 LYS H 1 14 LYS HG2 3.400 . 3.400 1.691 1.589 1.759 0.211 3 0 "[ . 1]" 1
115 1 14 LYS H 1 15 ILE H 3.400 . 3.400 2.519 2.424 2.639 . 0 0 "[ . 1]" 1
116 1 14 LYS H 1 15 ILE HA 5.000 . 5.000 5.160 5.080 5.281 0.281 6 0 "[ . 1]" 1
117 1 14 LYS H 1 15 ILE HB 3.400 . 3.400 4.827 4.364 6.084 2.684 2 10 [*+****-***] 1
118 1 14 LYS H 1 15 ILE MD 5.000 . 5.000 5.308 4.805 6.045 1.045 2 3 "[-+ . * 1]" 1
119 1 14 LYS H 1 16 ALA H 5.000 . 5.000 3.949 3.758 4.192 . 0 0 "[ . 1]" 1
120 1 14 LYS HA 1 14 LYS HE2 5.000 . 5.000 3.055 2.167 4.367 . 0 0 "[ . 1]" 1
121 1 14 LYS HA 1 15 ILE H 5.000 . 5.000 3.535 3.522 3.560 . 0 0 "[ . 1]" 1
122 1 14 LYS HE2 1 14 LYS HG2 3.400 . 3.400 2.450 1.974 2.701 . 0 0 "[ . 1]" 1
123 1 15 ILE H 1 15 ILE HA . . 2.800 2.820 2.785 2.874 0.074 6 0 "[ . 1]" 1
124 1 15 ILE H 1 15 ILE HB 2.800 . 2.800 2.639 2.360 3.526 0.726 2 1 "[ + . 1]" 1
125 1 15 ILE H 1 15 ILE MD 3.400 . 3.400 3.432 3.042 4.170 0.770 2 1 "[ + . 1]" 1
126 1 15 ILE H 1 15 ILE QG 5.000 . 5.000 2.117 1.913 2.954 . 0 0 "[ . 1]" 1
127 1 15 ILE H 1 15 ILE MG 2.800 . 2.800 3.555 1.784 3.765 0.965 9 9 "[* ****-*+*]" 1
128 1 15 ILE H 1 16 ALA MB 5.000 . 5.000 4.281 4.160 4.405 . 0 0 "[ . 1]" 1
129 1 15 ILE HA 1 16 ALA H 5.000 . 5.000 3.543 3.507 3.558 . 0 0 "[ . 1]" 1
130 1 15 ILE HA 1 17 ALA H 5.000 . 5.000 4.398 4.159 4.543 . 0 0 "[ . 1]" 1
131 1 15 ILE HA 1 18 PHE H 5.000 . 5.000 3.267 3.188 3.430 . 0 0 "[ . 1]" 1
132 1 15 ILE HA 1 18 PHE HD1 5.000 . 5.000 2.468 2.125 2.997 . 0 0 "[ . 1]" 1
133 1 15 ILE HB 1 16 ALA H 2.800 . 2.800 2.687 2.396 4.160 1.360 2 1 "[ + . 1]" 1
134 1 15 ILE HB 1 17 ALA H 5.000 . 5.000 5.093 4.910 6.109 1.109 2 1 "[ + . 1]" 1
135 1 15 ILE MD 1 18 PHE HD1 5.000 . 5.000 2.691 2.375 3.022 . 0 0 "[ . 1]" 1
136 1 15 ILE MD 1 18 PHE HE1 5.000 . 5.000 3.755 3.361 4.126 . 0 0 "[ . 1]" 1
137 1 15 ILE MG 1 18 PHE H 5.000 . 5.000 4.604 4.485 5.021 0.021 2 0 "[ . 1]" 1
138 1 16 ALA H 1 16 ALA HA 2.800 . 2.800 2.813 2.798 2.837 0.037 2 0 "[ . 1]" 1
139 1 16 ALA H 1 16 ALA MB 2.800 . 2.800 2.187 2.049 2.237 . 0 0 "[ . 1]" 1
140 1 16 ALA H 1 17 ALA H 3.400 . 3.400 2.700 2.579 2.782 . 0 0 "[ . 1]" 1
141 1 16 ALA H 1 17 ALA HA 5.000 . 5.000 5.323 5.226 5.378 0.378 7 0 "[ . 1]" 1
142 1 16 ALA HA 1 17 ALA H . . 3.400 3.545 3.523 3.559 0.159 7 0 "[ . 1]" 1
143 1 16 ALA HA 1 18 PHE H 5.000 . 5.000 4.462 4.157 4.750 . 0 0 "[ . 1]" 1
144 1 16 ALA HA 1 19 LYS H 5.000 . 5.000 3.555 3.296 3.934 . 0 0 "[ . 1]" 1
145 1 16 ALA MB 1 17 ALA H . . 2.800 2.467 2.392 2.550 . 0 0 "[ . 1]" 1
146 1 17 ALA H 1 17 ALA HA 2.800 . 2.800 2.854 2.822 2.886 0.086 5 0 "[ . 1]" 1
147 1 17 ALA H 1 17 ALA MB 2.800 . 2.800 2.203 2.079 2.273 . 0 0 "[ . 1]" 1
148 1 17 ALA H 1 18 PHE H 2.800 . 2.800 2.533 2.406 2.632 . 0 0 "[ . 1]" 1
149 1 17 ALA H 1 18 PHE QB 5.000 . 5.000 4.210 4.048 4.299 . 0 0 "[ . 1]" 1
150 1 17 ALA H 1 19 LYS H 5.000 . 5.000 4.060 3.983 4.162 . 0 0 "[ . 1]" 1
151 1 17 ALA H 1 19 LYS HA 5.000 . 5.000 6.826 6.635 6.913 1.913 1 10 [+***-*****] 1
152 1 17 ALA HA 1 18 PHE H 3.400 . 3.400 3.523 3.467 3.559 0.159 3 0 "[ . 1]" 1
153 1 17 ALA HA 1 18 PHE QB 3.400 . 3.400 5.189 5.136 5.235 1.835 3 10 [*-+*******] 1
154 1 17 ALA MB 1 18 PHE H 3.400 . 3.400 2.558 2.409 2.743 . 0 0 "[ . 1]" 1
155 1 17 ALA MB 1 19 LYS H 5.000 . 5.000 4.569 4.496 4.631 . 0 0 "[ . 1]" 1
156 1 18 PHE H 1 18 PHE QB . . 2.800 2.102 2.058 2.206 . 0 0 "[ . 1]" 1
157 1 18 PHE H 1 19 LYS H 2.800 . 2.800 2.616 2.468 2.678 . 0 0 "[ . 1]" 1
158 1 18 PHE H 1 19 LYS HA 5.000 . 5.000 5.247 5.149 5.299 0.299 10 0 "[ . 1]" 1
159 1 18 PHE H 1 19 LYS HB2 5.000 . 5.000 4.697 4.520 5.071 0.071 5 0 "[ . 1]" 1
160 1 18 PHE H 1 19 LYS QD 5.000 . 5.000 6.024 5.247 6.657 1.657 5 8 "[ * *+*-***]" 1
161 1 18 PHE H 1 19 LYS QE 5.000 . 5.000 7.345 6.713 7.864 2.864 5 10 [****+**-**] 1
162 1 18 PHE H 1 19 LYS QG 5.000 . 5.000 5.119 4.482 6.353 1.353 3 2 "[ + . - 1]" 1
163 1 18 PHE HA 1 18 PHE HD1 5.000 . 5.000 4.597 4.412 4.755 . 0 0 "[ . 1]" 1
164 1 18 PHE HA 1 19 LYS H 5.000 . 5.000 3.554 3.515 3.571 . 0 0 "[ . 1]" 1
165 1 18 PHE QB 1 18 PHE HE1 5.000 . 5.000 4.384 4.351 4.431 . 0 0 "[ . 1]" 1
166 1 18 PHE QB 1 19 LYS H 5.000 . 5.000 2.745 2.548 2.921 . 0 0 "[ . 1]" 1
167 1 18 PHE QB 1 19 LYS HA 5.000 . 5.000 4.593 4.446 4.868 . 0 0 "[ . 1]" 1
168 1 18 PHE HD1 1 19 LYS HA 5.000 . 5.000 4.242 3.366 4.701 . 0 0 "[ . 1]" 1
169 1 18 PHE HD1 1 19 LYS QG 5.000 . 5.000 2.977 2.269 4.542 . 0 0 "[ . 1]" 1
170 1 18 PHE HE1 1 19 LYS HA 5.000 . 5.000 4.600 3.896 5.044 0.044 5 0 "[ . 1]" 1
171 1 18 PHE HE1 1 19 LYS QE 5.000 . 5.000 2.989 2.205 4.055 . 0 0 "[ . 1]" 1
172 1 19 LYS H 1 19 LYS HA 2.800 . 2.800 2.896 2.847 2.953 0.153 5 0 "[ . 1]" 1
173 1 19 LYS H 1 19 LYS HB2 2.800 . 2.800 2.311 2.142 2.596 . 0 0 "[ . 1]" 1
174 1 19 LYS H 1 19 LYS QD 2.800 . 2.800 4.005 3.281 4.500 1.700 5 9 "[-* *+*****]" 1
175 1 19 LYS H 1 19 LYS QE 5.000 . 5.000 5.357 4.796 5.924 0.924 5 2 "[ + - 1]" 1
176 1 19 LYS H 1 19 LYS QG 3.400 . 3.400 3.047 2.461 4.038 0.638 7 2 "[ - . + 1]" 1
177 1 19 LYS HA 1 19 LYS QD . . 2.800 3.181 2.012 4.010 1.210 4 6 "[*- +.* **]" 1
178 1 19 LYS HB2 1 19 LYS QE 5.000 . 5.000 4.246 3.987 4.467 . 0 0 "[ . 1]" 1
179 1 19 LYS QE 1 19 LYS QG 2.800 . 2.800 2.309 2.137 2.419 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 10:35:30 AM GMT (wattos1)