NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610191 |
2n92   |
25877 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n92
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 298
_Distance_constraint_stats_list.Viol_count 1462
_Distance_constraint_stats_list.Viol_total 4022.757
_Distance_constraint_stats_list.Viol_max 1.843
_Distance_constraint_stats_list.Viol_rms 0.1137
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0337
_Distance_constraint_stats_list.Viol_average_violations_only 0.1376
_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 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.000 0.000 14 0 "[ . 1 . 2]"
1 4 SER 0.064 0.064 12 0 "[ . 1 . 2]"
1 5 LYS 0.238 0.070 12 0 "[ . 1 . 2]"
1 6 THR 0.319 0.067 12 0 "[ . 1 . 2]"
1 7 ALA 1.475 0.108 9 0 "[ . 1 . 2]"
1 8 LYS 18.071 0.615 9 19 "[*******-+*** *******]"
1 9 LYS 8.389 0.260 8 0 "[ . 1 . 2]"
1 10 LEU 15.190 0.615 9 19 "[*******-+*** *******]"
1 11 GLU 1.481 0.174 6 0 "[ . 1 . 2]"
1 12 ASN 0.141 0.100 17 0 "[ . 1 . 2]"
1 13 SER 4.759 1.843 20 1 "[ . 1 . +]"
1 14 ALA 10.487 1.843 20 2 "[ . - . +]"
1 15 LYS 8.253 0.285 17 0 "[ . 1 . 2]"
1 16 LYS 15.431 0.629 16 17 "[*****-* *1*****+***2]"
1 17 ARG 36.042 1.140 14 20 [*************+*-****]
1 18 ILE 11.403 0.501 10 1 "[ . + . 2]"
1 19 SER 22.780 0.586 3 11 "[ + * ***** **-* 2]"
1 20 GLU 49.409 0.629 16 20 [***************+****]
1 21 GLY 41.068 1.140 14 20 [*************+-*****]
1 22 ILE 17.175 0.311 18 0 "[ . 1 . 2]"
1 23 ALA 24.227 0.562 15 12 "[ *** ***** -*+* 2]"
1 24 ILE 22.023 0.498 13 0 "[ . 1 . 2]"
1 25 ALA 20.467 0.893 15 20 [***********-**+*****]
1 26 ILE 18.764 0.562 15 12 "[ *** ***** -*+* 2]"
1 27 GLN 9.326 0.209 1 0 "[ . 1 . 2]"
1 28 GLY 19.360 0.893 15 20 [***********-**+*****]
1 29 GLY 2.822 0.207 1 0 "[ . 1 . 2]"
1 30 PRO 0.064 0.064 12 0 "[ . 1 . 2]"
1 31 ARG 0.070 0.064 12 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 TRP QB 1 3 LEU H . . 6.000 3.035 2.108 3.983 . 0 0 "[ . 1 . 2]" 1
2 1 3 LEU QB 1 5 LYS H . . 4.300 3.942 2.340 4.300 0.000 14 0 "[ . 1 . 2]" 1
3 1 4 SER H 1 5 LYS QG . . 6.000 5.187 4.095 6.000 . 9 0 "[ . 1 . 2]" 1
4 1 4 SER QB 1 6 THR HA . . 6.000 5.678 4.745 6.064 0.064 12 0 "[ . 1 . 2]" 1
5 1 5 LYS H 1 5 LYS HB3 . . 3.300 3.032 2.479 3.370 0.070 12 0 "[ . 1 . 2]" 1
6 1 5 LYS H 1 5 LYS HD2 . . 3.300 3.060 2.160 3.346 0.046 16 0 "[ . 1 . 2]" 1
7 1 5 LYS H 1 6 THR MG . . 5.500 4.667 2.996 5.501 0.001 11 0 "[ . 1 . 2]" 1
8 1 5 LYS HA 1 6 THR H . . 3.500 2.789 2.139 3.560 0.060 14 0 "[ . 1 . 2]" 1
9 1 5 LYS QG 1 6 THR HA . . 6.000 4.638 3.403 5.670 . 0 0 "[ . 1 . 2]" 1
10 1 6 THR HA 1 7 ALA H . . 3.500 2.719 2.142 3.567 0.067 12 0 "[ . 1 . 2]" 1
11 1 6 THR HA 1 10 LEU MD1 . . 6.500 4.992 3.420 6.386 . 0 0 "[ . 1 . 2]" 1
12 1 6 THR HB 1 10 LEU MD1 . . 6.500 4.869 2.145 6.500 0.000 3 0 "[ . 1 . 2]" 1
13 1 7 ALA H 1 8 LYS QG . . 6.000 4.753 3.063 6.108 0.108 9 0 "[ . 1 . 2]" 1
14 1 7 ALA HA 1 10 LEU H . . 2.700 2.759 2.742 2.770 0.070 2 0 "[ . 1 . 2]" 1
15 1 7 ALA MB 1 8 LYS H . . 5.000 3.544 3.479 3.586 . 0 0 "[ . 1 . 2]" 1
16 1 7 ALA MB 1 10 LEU HG . . 6.000 4.166 3.630 5.763 . 0 0 "[ . 1 . 2]" 1
17 1 8 LYS H 1 8 LYS HA . . 2.700 2.771 2.759 2.777 0.077 13 0 "[ . 1 . 2]" 1
18 1 8 LYS H 1 8 LYS HB2 . . 3.300 2.436 2.234 2.719 . 0 0 "[ . 1 . 2]" 1
19 1 8 LYS H 1 9 LYS H . . 2.500 2.724 2.708 2.760 0.260 8 0 "[ . 1 . 2]" 1
20 1 8 LYS HA 1 9 LYS H . . 3.500 3.459 3.452 3.481 . 0 0 "[ . 1 . 2]" 1
21 1 8 LYS HA 1 10 LEU H . . 4.400 4.995 4.744 5.015 0.615 9 19 "[*******-+*** *******]" 1
22 1 8 LYS HA 1 10 LEU MD2 . . 6.500 5.087 4.421 6.570 0.070 13 0 "[ . 1 . 2]" 1
23 1 8 LYS QG 1 9 LYS H . . 6.000 4.135 3.629 4.467 . 0 0 "[ . 1 . 2]" 1
24 1 8 LYS QG 1 10 LEU H . . 6.000 5.791 5.367 6.049 0.049 11 0 "[ . 1 . 2]" 1
25 1 9 LYS H 1 9 LYS HA . . 2.700 2.798 2.792 2.865 0.165 13 0 "[ . 1 . 2]" 1
26 1 9 LYS H 1 9 LYS QD . . 6.000 4.065 2.343 4.844 . 0 0 "[ . 1 . 2]" 1
27 1 9 LYS H 1 11 GLU H . . 5.000 4.335 3.513 5.024 0.024 6 0 "[ . 1 . 2]" 1
28 1 9 LYS HA 1 10 LEU H . . 2.700 2.794 2.781 2.826 0.126 11 0 "[ . 1 . 2]" 1
29 1 9 LYS QB 1 10 LEU H . . 6.000 3.969 3.849 4.037 . 0 0 "[ . 1 . 2]" 1
30 1 9 LYS QD 1 10 LEU H . . 6.000 4.670 3.359 5.668 . 0 0 "[ . 1 . 2]" 1
31 1 9 LYS QD 1 10 LEU HG . . 6.000 5.808 4.224 6.009 0.009 1 0 "[ . 1 . 2]" 1
32 1 10 LEU MD2 1 14 ALA MB . . 7.500 6.759 4.730 7.502 0.002 4 0 "[ . 1 . 2]" 1
33 1 10 LEU HG 1 11 GLU HB2 . . 5.000 4.418 3.186 5.026 0.026 9 0 "[ . 1 . 2]" 1
34 1 11 GLU H 1 11 GLU HA . . 2.700 2.658 2.275 2.874 0.174 6 0 "[ . 1 . 2]" 1
35 1 11 GLU QB 1 14 ALA MB . . 7.000 3.373 2.096 6.111 . 0 0 "[ . 1 . 2]" 1
36 1 11 GLU QB 1 15 LYS HA . . 6.000 5.381 3.652 6.034 0.034 12 0 "[ . 1 . 2]" 1
37 1 11 GLU QG 1 15 LYS QD . . 7.000 5.272 2.066 7.022 0.022 17 0 "[ . 1 . 2]" 1
38 1 12 ASN QB 1 13 SER H . . 6.000 2.774 1.922 4.016 . 0 0 "[ . 1 . 2]" 1
39 1 12 ASN QB 1 15 LYS QD . . 7.000 6.535 5.523 7.100 0.100 17 0 "[ . 1 . 2]" 1
40 1 13 SER H 1 14 ALA H . . 2.500 2.182 1.855 4.343 1.843 20 1 "[ . 1 . +]" 1
41 1 13 SER H 1 15 LYS H . . 4.000 3.886 2.695 4.057 0.057 19 0 "[ . 1 . 2]" 1
42 1 13 SER HA 1 14 ALA H . . 3.500 3.094 2.443 3.497 . 0 0 "[ . 1 . 2]" 1
43 1 13 SER HA 1 15 LYS H . . 4.400 3.372 2.991 3.652 . 0 0 "[ . 1 . 2]" 1
44 1 13 SER HA 1 15 LYS HA . . 6.000 6.090 5.891 6.285 0.285 17 0 "[ . 1 . 2]" 1
45 1 13 SER HA 1 16 LYS HB2 . . 5.000 3.365 2.582 4.697 . 0 0 "[ . 1 . 2]" 1
46 1 13 SER HA 1 16 LYS HB3 . . 5.000 4.472 3.515 5.022 0.022 7 0 "[ . 1 . 2]" 1
47 1 13 SER HA 1 16 LYS QG . . 6.000 4.988 3.253 6.141 0.141 20 0 "[ . 1 . 2]" 1
48 1 13 SER HA 1 17 ARG QD . . 6.000 5.582 5.002 6.009 0.009 10 0 "[ . 1 . 2]" 1
49 1 14 ALA H 1 14 ALA HA . . 2.800 2.853 2.282 2.943 0.143 9 0 "[ . 1 . 2]" 1
50 1 14 ALA H 1 15 LYS H . . 2.500 2.436 2.143 2.636 0.136 13 0 "[ . 1 . 2]" 1
51 1 14 ALA H 1 17 ARG QG . . 6.000 5.293 4.746 5.742 . 0 0 "[ . 1 . 2]" 1
52 1 14 ALA HA 1 15 LYS H . . 3.500 3.342 3.104 3.495 . 0 0 "[ . 1 . 2]" 1
53 1 14 ALA HA 1 16 LYS QB . . 6.000 5.001 4.576 5.308 . 0 0 "[ . 1 . 2]" 1
54 1 14 ALA HA 1 17 ARG H . . 3.500 3.546 3.433 3.698 0.198 20 0 "[ . 1 . 2]" 1
55 1 14 ALA HA 1 17 ARG HB2 . . 5.000 4.991 4.732 5.114 0.114 20 0 "[ . 1 . 2]" 1
56 1 14 ALA HA 1 17 ARG QB . . 6.000 3.639 3.439 3.885 . 0 0 "[ . 1 . 2]" 1
57 1 14 ALA HA 1 17 ARG HB3 . . 5.000 3.740 3.531 4.037 . 0 0 "[ . 1 . 2]" 1
58 1 14 ALA HA 1 17 ARG QD . . 6.000 1.964 1.885 2.325 . 0 0 "[ . 1 . 2]" 1
59 1 14 ALA HA 1 18 ILE H . . 4.400 4.613 4.390 4.901 0.501 10 1 "[ . + . 2]" 1
60 1 14 ALA MB 1 15 LYS HA . . 6.000 3.950 3.839 4.097 . 0 0 "[ . 1 . 2]" 1
61 1 14 ALA MB 1 15 LYS QE . . 7.000 5.183 3.903 6.521 . 0 0 "[ . 1 . 2]" 1
62 1 14 ALA MB 1 17 ARG QD . . 7.000 2.686 2.353 3.140 . 0 0 "[ . 1 . 2]" 1
63 1 15 LYS H 1 15 LYS HA . . 2.800 2.910 2.879 2.948 0.148 16 0 "[ . 1 . 2]" 1
64 1 15 LYS H 1 16 LYS H . . 2.500 2.235 1.923 2.442 . 0 0 "[ . 1 . 2]" 1
65 1 15 LYS H 1 16 LYS QD . . 6.000 5.288 4.500 6.049 0.049 10 0 "[ . 1 . 2]" 1
66 1 15 LYS H 1 18 ILE QG . . 6.000 4.452 4.125 4.925 . 0 0 "[ . 1 . 2]" 1
67 1 15 LYS H 1 18 ILE MG . . 6.500 4.789 4.506 4.947 . 0 0 "[ . 1 . 2]" 1
68 1 15 LYS HA 1 16 LYS H . . 3.500 3.420 3.355 3.497 . 0 0 "[ . 1 . 2]" 1
69 1 15 LYS HA 1 17 ARG H . . 4.400 4.261 4.144 4.481 0.081 18 0 "[ . 1 . 2]" 1
70 1 15 LYS HA 1 18 ILE H . . 3.500 3.539 3.440 3.665 0.165 16 0 "[ . 1 . 2]" 1
71 1 15 LYS HA 1 18 ILE HB . . 5.000 4.830 4.646 5.025 0.025 19 0 "[ . 1 . 2]" 1
72 1 15 LYS HA 1 19 SER H . . 4.400 4.245 4.161 4.303 . 0 0 "[ . 1 . 2]" 1
73 1 15 LYS HA 1 19 SER HA . . 6.000 5.977 5.765 6.077 0.077 10 0 "[ . 1 . 2]" 1
74 1 15 LYS QB 1 17 ARG H . . 6.000 5.167 4.861 5.360 . 0 0 "[ . 1 . 2]" 1
75 1 15 LYS HB2 1 18 ILE MG . . 6.500 5.245 4.812 5.753 . 0 0 "[ . 1 . 2]" 1
76 1 15 LYS HB3 1 18 ILE MG . . 6.500 5.295 4.844 5.781 . 0 0 "[ . 1 . 2]" 1
77 1 15 LYS QD 1 17 ARG QD . . 7.000 6.657 5.930 7.040 0.040 6 0 "[ . 1 . 2]" 1
78 1 15 LYS QD 1 18 ILE QG . . 7.000 4.702 3.955 5.312 . 0 0 "[ . 1 . 2]" 1
79 1 15 LYS QD 1 19 SER QB . . 7.000 4.633 3.328 6.275 . 0 0 "[ . 1 . 2]" 1
80 1 15 LYS QE 1 17 ARG HA . . 6.000 6.067 6.024 6.153 0.153 13 0 "[ . 1 . 2]" 1
81 1 15 LYS QE 1 17 ARG QD . . 7.000 5.828 5.113 7.016 0.016 12 0 "[ . 1 . 2]" 1
82 1 15 LYS QG 1 16 LYS H . . 6.000 2.784 2.339 4.092 . 0 0 "[ . 1 . 2]" 1
83 1 15 LYS QG 1 18 ILE MD . . 7.500 4.464 2.868 4.915 . 0 0 "[ . 1 . 2]" 1
84 1 15 LYS HG2 1 18 ILE MD . . 6.500 5.001 2.973 5.603 . 0 0 "[ . 1 . 2]" 1
85 1 15 LYS HG3 1 18 ILE MD . . 6.500 5.072 3.772 5.439 . 0 0 "[ . 1 . 2]" 1
86 1 16 LYS H 1 16 LYS HA . . 2.800 2.890 2.861 2.930 0.130 16 0 "[ . 1 . 2]" 1
87 1 16 LYS H 1 16 LYS QD . . 6.000 3.743 3.124 4.407 . 0 0 "[ . 1 . 2]" 1
88 1 16 LYS H 1 17 ARG H . . 2.500 2.357 2.122 2.480 . 0 0 "[ . 1 . 2]" 1
89 1 16 LYS H 1 18 ILE H . . 4.000 3.855 3.672 3.984 . 0 0 "[ . 1 . 2]" 1
90 1 16 LYS H 1 18 ILE MG . . 6.500 4.796 4.461 5.046 . 0 0 "[ . 1 . 2]" 1
91 1 16 LYS HA 1 17 ARG H . . 3.500 3.499 3.435 3.537 0.037 18 0 "[ . 1 . 2]" 1
92 1 16 LYS HA 1 17 ARG QB . . 6.000 5.370 5.282 5.418 . 0 0 "[ . 1 . 2]" 1
93 1 16 LYS HA 1 18 ILE H . . 4.400 4.159 3.950 4.229 . 0 0 "[ . 1 . 2]" 1
94 1 16 LYS HA 1 19 SER H . . 3.500 3.332 3.198 3.487 . 0 0 "[ . 1 . 2]" 1
95 1 16 LYS HA 1 19 SER QB . . 6.000 2.597 2.247 3.288 . 0 0 "[ . 1 . 2]" 1
96 1 16 LYS HA 1 20 GLU H . . 4.400 4.986 4.815 5.029 0.629 16 17 "[*****-* *1*****+***2]" 1
97 1 16 LYS QB 1 18 ILE H . . 6.000 4.656 4.565 4.762 . 0 0 "[ . 1 . 2]" 1
98 1 16 LYS QB 1 20 GLU H . . 6.000 5.932 5.738 6.053 0.053 10 0 "[ . 1 . 2]" 1
99 1 16 LYS HB2 1 18 ILE MG . . 6.500 6.499 6.204 6.629 0.129 10 0 "[ . 1 . 2]" 1
100 1 16 LYS HB3 1 18 ILE MG . . 6.500 6.384 5.938 6.679 0.179 13 0 "[ . 1 . 2]" 1
101 1 16 LYS QD 1 17 ARG H . . 6.000 4.822 2.702 5.378 . 0 0 "[ . 1 . 2]" 1
102 1 16 LYS QD 1 19 SER QB . . 7.000 4.285 3.138 5.644 . 0 0 "[ . 1 . 2]" 1
103 1 16 LYS QE 1 18 ILE MD . . 7.500 6.918 5.600 7.554 0.054 17 0 "[ . 1 . 2]" 1
104 1 16 LYS QE 1 18 ILE MG . . 7.500 7.349 6.446 7.544 0.044 17 0 "[ . 1 . 2]" 1
105 1 16 LYS QE 1 19 SER QB . . 7.000 4.354 2.626 6.630 . 0 0 "[ . 1 . 2]" 1
106 1 16 LYS QG 1 17 ARG H . . 6.000 4.386 3.888 4.680 . 0 0 "[ . 1 . 2]" 1
107 1 16 LYS QG 1 17 ARG HA . . 6.000 4.899 3.945 5.852 . 0 0 "[ . 1 . 2]" 1
108 1 16 LYS QG 1 19 SER QB . . 7.000 4.118 3.663 4.758 . 0 0 "[ . 1 . 2]" 1
109 1 17 ARG H 1 17 ARG HA . . 2.800 2.855 2.831 2.903 0.103 16 0 "[ . 1 . 2]" 1
110 1 17 ARG H 1 18 ILE H . . 2.500 2.485 2.279 2.571 0.071 18 0 "[ . 1 . 2]" 1
111 1 17 ARG H 1 19 SER H . . 4.000 3.875 3.761 3.980 . 0 0 "[ . 1 . 2]" 1
112 1 17 ARG HA 1 18 ILE H . . 3.500 3.485 3.446 3.503 0.003 2 0 "[ . 1 . 2]" 1
113 1 17 ARG HA 1 18 ILE HA . . 5.000 4.673 4.640 4.688 . 0 0 "[ . 1 . 2]" 1
114 1 17 ARG HA 1 18 ILE MG . . 6.500 4.741 4.576 4.859 . 0 0 "[ . 1 . 2]" 1
115 1 17 ARG HA 1 19 SER H . . 4.400 4.254 4.190 4.344 . 0 0 "[ . 1 . 2]" 1
116 1 17 ARG HA 1 19 SER QB . . 6.000 5.391 4.978 5.886 . 0 0 "[ . 1 . 2]" 1
117 1 17 ARG HA 1 20 GLU H . . 3.500 4.032 3.969 4.072 0.572 6 19 [*****+********.-****] 1
118 1 17 ARG HA 1 20 GLU HB2 . . 5.000 3.541 3.385 3.621 . 0 0 "[ . 1 . 2]" 1
119 1 17 ARG HA 1 20 GLU HB3 . . 5.000 4.688 4.497 4.880 . 0 0 "[ . 1 . 2]" 1
120 1 17 ARG HA 1 20 GLU QG . . 6.000 4.968 4.630 5.202 . 0 0 "[ . 1 . 2]" 1
121 1 17 ARG HA 1 21 GLY H . . 4.400 5.375 5.283 5.540 1.140 14 20 [*************+-*****] 1
122 1 17 ARG QB 1 20 GLU H . . 6.000 5.261 5.212 5.342 . 0 0 "[ . 1 . 2]" 1
123 1 17 ARG HB3 1 18 ILE MD . . 6.500 6.498 6.396 6.656 0.156 18 0 "[ . 1 . 2]" 1
124 1 17 ARG QD 1 18 ILE HB . . 6.000 5.964 5.811 6.039 0.039 19 0 "[ . 1 . 2]" 1
125 1 17 ARG QG 1 18 ILE H . . 6.000 2.120 1.978 2.349 . 0 0 "[ . 1 . 2]" 1
126 1 17 ARG QG 1 18 ILE HA . . 6.000 3.348 3.207 3.439 . 0 0 "[ . 1 . 2]" 1
127 1 17 ARG QG 1 19 SER H . . 6.000 4.229 4.142 4.383 . 0 0 "[ . 1 . 2]" 1
128 1 17 ARG HG2 1 18 ILE HB . . 5.000 4.814 4.609 5.006 0.006 3 0 "[ . 1 . 2]" 1
129 1 17 ARG HG3 1 18 ILE HA . . 5.000 3.634 3.385 3.869 . 0 0 "[ . 1 . 2]" 1
130 1 17 ARG HG3 1 18 ILE HB . . 5.000 4.984 4.814 5.064 0.064 18 0 "[ . 1 . 2]" 1
131 1 18 ILE H 1 18 ILE HA . . 2.800 2.897 2.888 2.915 0.115 10 0 "[ . 1 . 2]" 1
132 1 18 ILE H 1 19 SER H . . 2.500 2.318 2.227 2.360 . 0 0 "[ . 1 . 2]" 1
133 1 18 ILE H 1 20 GLU H . . 4.000 3.965 3.867 4.024 0.024 2 0 "[ . 1 . 2]" 1
134 1 18 ILE H 1 20 GLU QB . . 6.000 4.977 4.865 5.052 . 0 0 "[ . 1 . 2]" 1
135 1 18 ILE HA 1 19 SER H . . 3.500 3.469 3.451 3.482 . 0 0 "[ . 1 . 2]" 1
136 1 18 ILE HA 1 20 GLU H . . 4.400 3.512 3.483 3.548 . 0 0 "[ . 1 . 2]" 1
137 1 18 ILE HA 1 20 GLU HB2 . . 5.000 4.973 4.801 5.020 0.020 19 0 "[ . 1 . 2]" 1
138 1 18 ILE HA 1 20 GLU HB3 . . 5.000 5.072 5.056 5.089 0.089 19 0 "[ . 1 . 2]" 1
139 1 18 ILE HA 1 21 GLY H . . 3.500 3.252 3.181 3.361 . 0 0 "[ . 1 . 2]" 1
140 1 18 ILE HA 1 21 GLY QA . . 6.000 4.203 4.112 4.391 . 0 0 "[ . 1 . 2]" 1
141 1 18 ILE HA 1 22 ILE H . . 4.400 3.803 3.722 4.010 . 0 0 "[ . 1 . 2]" 1
142 1 18 ILE HB 1 19 SER H . . 5.000 4.027 3.925 4.102 . 0 0 "[ . 1 . 2]" 1
143 1 18 ILE HB 1 22 ILE H . . 5.000 4.287 4.183 4.457 . 0 0 "[ . 1 . 2]" 1
144 1 18 ILE QG 1 21 GLY H . . 6.000 5.223 5.047 5.634 . 0 0 "[ . 1 . 2]" 1
145 1 18 ILE MG 1 19 SER H . . 6.500 3.865 3.725 3.969 . 0 0 "[ . 1 . 2]" 1
146 1 18 ILE MG 1 19 SER HA . . 6.500 5.394 5.313 5.431 . 0 0 "[ . 1 . 2]" 1
147 1 18 ILE MG 1 19 SER QB . . 7.500 5.201 4.992 5.397 . 0 0 "[ . 1 . 2]" 1
148 1 18 ILE MG 1 19 SER HB3 . . 6.500 5.696 5.307 6.557 0.057 13 0 "[ . 1 . 2]" 1
149 1 18 ILE MG 1 20 GLU H . . 6.500 5.006 4.959 5.031 . 0 0 "[ . 1 . 2]" 1
150 1 18 ILE MG 1 20 GLU QG . . 7.500 7.328 7.202 7.397 . 0 0 "[ . 1 . 2]" 1
151 1 18 ILE MG 1 21 GLY H . . 6.500 5.163 5.036 5.253 . 0 0 "[ . 1 . 2]" 1
152 1 19 SER H 1 19 SER HA . . 2.800 2.819 2.806 2.828 0.028 15 0 "[ . 1 . 2]" 1
153 1 19 SER H 1 21 GLY H . . 4.000 4.497 4.401 4.586 0.586 3 11 "[ + * ***** **-* 2]" 1
154 1 19 SER H 1 22 ILE H . . 4.900 4.800 4.783 4.850 . 0 0 "[ . 1 . 2]" 1
155 1 19 SER HA 1 20 GLU H . . 3.500 3.385 3.363 3.403 . 0 0 "[ . 1 . 2]" 1
156 1 19 SER HA 1 20 GLU QG . . 6.000 6.090 6.079 6.107 0.107 16 0 "[ . 1 . 2]" 1
157 1 19 SER HA 1 21 GLY H . . 4.400 4.615 4.501 4.676 0.276 9 0 "[ . 1 . 2]" 1
158 1 19 SER HA 1 22 ILE H . . 3.500 3.696 3.566 3.765 0.265 7 0 "[ . 1 . 2]" 1
159 1 19 SER HA 1 23 ALA H . . 4.400 3.828 3.794 3.855 . 0 0 "[ . 1 . 2]" 1
160 1 19 SER HA 1 23 ALA HA . . 5.000 5.094 5.078 5.107 0.107 14 0 "[ . 1 . 2]" 1
161 1 19 SER HA 1 23 ALA MB . . 6.000 3.849 3.817 3.920 . 0 0 "[ . 1 . 2]" 1
162 1 19 SER QB 1 20 GLU HA . . 6.000 4.524 3.932 4.776 . 0 0 "[ . 1 . 2]" 1
163 1 19 SER QB 1 20 GLU QG . . 7.000 5.305 4.676 5.535 . 0 0 "[ . 1 . 2]" 1
164 1 19 SER QB 1 21 GLY QA . . 7.000 6.549 6.331 6.626 . 0 0 "[ . 1 . 2]" 1
165 1 19 SER QB 1 23 ALA HA . . 6.000 5.851 5.612 6.035 0.035 3 0 "[ . 1 . 2]" 1
166 1 19 SER QB 1 23 ALA MB . . 7.000 4.061 3.813 4.346 . 0 0 "[ . 1 . 2]" 1
167 1 20 GLU H 1 20 GLU HA . . 2.800 2.894 2.877 2.902 0.102 12 0 "[ . 1 . 2]" 1
168 1 20 GLU H 1 21 GLY H . . 2.500 2.430 2.365 2.515 0.015 3 0 "[ . 1 . 2]" 1
169 1 20 GLU H 1 21 GLY QA . . 6.000 4.359 4.318 4.427 . 0 0 "[ . 1 . 2]" 1
170 1 20 GLU H 1 22 ILE H . . 4.000 3.680 3.648 3.714 . 0 0 "[ . 1 . 2]" 1
171 1 20 GLU HA 1 21 GLY H . . 3.500 3.552 3.538 3.562 0.062 13 0 "[ . 1 . 2]" 1
172 1 20 GLU HA 1 22 ILE H . . 4.400 4.623 4.553 4.652 0.252 19 0 "[ . 1 . 2]" 1
173 1 20 GLU HA 1 23 ALA H . . 3.500 3.844 3.822 3.858 0.358 19 0 "[ . 1 . 2]" 1
174 1 20 GLU HA 1 23 ALA MB . . 6.000 2.890 2.853 2.946 . 0 0 "[ . 1 . 2]" 1
175 1 20 GLU HA 1 24 ILE H . . 4.400 4.846 4.747 4.898 0.498 13 0 "[ . 1 . 2]" 1
176 1 20 GLU HA 1 24 ILE MG . . 6.500 4.379 4.210 4.526 . 0 0 "[ . 1 . 2]" 1
177 1 20 GLU QB 1 21 GLY H . . 6.000 2.536 2.474 2.636 . 0 0 "[ . 1 . 2]" 1
178 1 20 GLU QB 1 24 ILE H . . 6.000 5.768 5.719 5.825 . 0 0 "[ . 1 . 2]" 1
179 1 20 GLU QB 1 25 ALA MB . . 7.000 6.991 6.899 7.045 0.045 1 0 "[ . 1 . 2]" 1
180 1 20 GLU QG 1 21 GLY H . . 6.000 4.313 4.248 4.401 . 0 0 "[ . 1 . 2]" 1
181 1 21 GLY H 1 22 ILE H . . 2.400 2.438 2.393 2.462 0.062 10 0 "[ . 1 . 2]" 1
182 1 21 GLY H 1 22 ILE HB . . 5.000 4.681 4.590 4.722 . 0 0 "[ . 1 . 2]" 1
183 1 21 GLY H 1 22 ILE QG . . 6.000 4.702 3.908 6.083 0.083 17 0 "[ . 1 . 2]" 1
184 1 21 GLY H 1 23 ALA H . . 4.000 3.814 3.749 3.865 . 0 0 "[ . 1 . 2]" 1
185 1 21 GLY H 1 24 ILE H . . 4.900 5.095 5.074 5.123 0.223 14 0 "[ . 1 . 2]" 1
186 1 21 GLY QA 1 22 ILE H . . 3.400 2.766 2.757 2.790 . 0 0 "[ . 1 . 2]" 1
187 1 21 GLY QA 1 23 ALA H . . 4.400 3.725 3.704 3.747 . 0 0 "[ . 1 . 2]" 1
188 1 21 GLY QA 1 23 ALA HA . . 6.000 6.054 6.046 6.064 0.064 12 0 "[ . 1 . 2]" 1
189 1 21 GLY QA 1 23 ALA MB . . 7.000 4.415 4.394 4.434 . 0 0 "[ . 1 . 2]" 1
190 1 21 GLY QA 1 24 ILE H . . 4.500 3.541 3.504 3.596 . 0 0 "[ . 1 . 2]" 1
191 1 21 GLY QA 1 24 ILE HA . . 6.000 5.835 5.782 5.923 . 0 0 "[ . 1 . 2]" 1
192 1 21 GLY QA 1 24 ILE HB . . 6.000 5.219 5.105 5.367 . 0 0 "[ . 1 . 2]" 1
193 1 21 GLY QA 1 24 ILE MD . . 7.500 2.964 2.493 3.629 . 0 0 "[ . 1 . 2]" 1
194 1 21 GLY QA 1 24 ILE MG . . 7.500 3.738 3.569 3.886 . 0 0 "[ . 1 . 2]" 1
195 1 21 GLY QA 1 25 ALA H . . 5.400 4.005 3.921 4.077 . 0 0 "[ . 1 . 2]" 1
196 1 22 ILE H 1 22 ILE HA . . 2.800 2.862 2.856 2.869 0.069 18 0 "[ . 1 . 2]" 1
197 1 22 ILE H 1 23 ALA H . . 2.500 2.464 2.444 2.484 . 0 0 "[ . 1 . 2]" 1
198 1 22 ILE H 1 24 ILE H . . 4.000 4.272 4.235 4.311 0.311 18 0 "[ . 1 . 2]" 1
199 1 22 ILE H 1 24 ILE QG . . 6.000 4.557 4.438 4.702 . 0 0 "[ . 1 . 2]" 1
200 1 22 ILE HA 1 23 ALA H . . 3.500 3.436 3.422 3.445 . 0 0 "[ . 1 . 2]" 1
201 1 22 ILE HA 1 23 ALA HA . . 5.000 4.764 4.756 4.773 . 0 0 "[ . 1 . 2]" 1
202 1 22 ILE HA 1 24 ILE H . . 4.400 4.244 4.194 4.325 . 0 0 "[ . 1 . 2]" 1
203 1 22 ILE HA 1 24 ILE QG . . 6.000 4.449 4.409 4.511 . 0 0 "[ . 1 . 2]" 1
204 1 22 ILE HA 1 25 ALA H . . 3.500 3.248 3.215 3.285 . 0 0 "[ . 1 . 2]" 1
205 1 22 ILE HA 1 25 ALA HA . . 5.000 5.014 5.002 5.039 0.039 1 0 "[ . 1 . 2]" 1
206 1 22 ILE HA 1 25 ALA MB . . 6.000 2.200 2.059 2.379 . 0 0 "[ . 1 . 2]" 1
207 1 22 ILE HA 1 26 ILE H . . 4.000 3.903 3.691 4.014 0.014 13 0 "[ . 1 . 2]" 1
208 1 22 ILE HA 1 26 ILE QG . . 6.000 3.464 3.254 3.697 . 0 0 "[ . 1 . 2]" 1
209 1 22 ILE HB 1 25 ALA MB . . 6.000 4.665 4.355 4.880 . 0 0 "[ . 1 . 2]" 1
210 1 22 ILE MD 1 25 ALA MB . . 7.500 4.748 2.907 5.011 . 0 0 "[ . 1 . 2]" 1
211 1 22 ILE QG 1 24 ILE H . . 6.000 5.574 5.378 5.859 . 0 0 "[ . 1 . 2]" 1
212 1 22 ILE QG 1 25 ALA MB . . 7.000 3.618 3.215 4.299 . 0 0 "[ . 1 . 2]" 1
213 1 22 ILE QG 1 26 ILE H . . 6.000 5.164 3.838 6.035 0.035 14 0 "[ . 1 . 2]" 1
214 1 22 ILE MG 1 23 ALA H . . 6.500 3.269 2.287 3.831 . 0 0 "[ . 1 . 2]" 1
215 1 22 ILE MG 1 23 ALA HA . . 6.500 3.475 3.087 3.786 . 0 0 "[ . 1 . 2]" 1
216 1 22 ILE MG 1 26 ILE HA . . 6.500 5.685 4.904 6.564 0.064 1 0 "[ . 1 . 2]" 1
217 1 23 ALA H 1 23 ALA HA . . 2.800 2.850 2.844 2.856 0.056 16 0 "[ . 1 . 2]" 1
218 1 23 ALA H 1 24 ILE H . . 2.500 2.540 2.526 2.563 0.063 20 0 "[ . 1 . 2]" 1
219 1 23 ALA H 1 24 ILE QG . . 6.000 3.846 3.710 3.969 . 0 0 "[ . 1 . 2]" 1
220 1 23 ALA H 1 25 ALA H . . 4.000 3.758 3.710 3.816 . 0 0 "[ . 1 . 2]" 1
221 1 23 ALA H 1 25 ALA MB . . 6.000 4.430 4.314 4.557 . 0 0 "[ . 1 . 2]" 1
222 1 23 ALA H 1 26 ILE HB . . 6.000 5.826 5.620 5.968 . 0 0 "[ . 1 . 2]" 1
223 1 23 ALA H 1 26 ILE QG . . 6.000 5.166 5.046 5.629 . 0 0 "[ . 1 . 2]" 1
224 1 23 ALA HA 1 24 ILE H . . 3.500 3.525 3.518 3.535 0.035 12 0 "[ . 1 . 2]" 1
225 1 23 ALA HA 1 24 ILE HA . . 5.000 4.647 4.641 4.659 . 0 0 "[ . 1 . 2]" 1
226 1 23 ALA HA 1 25 ALA H . . 4.400 4.452 4.408 4.509 0.109 10 0 "[ . 1 . 2]" 1
227 1 23 ALA HA 1 26 ILE H . . 3.500 4.015 3.964 4.062 0.562 15 12 "[ *** ***** -*+* 2]" 1
228 1 23 ALA HA 1 26 ILE HB . . 5.000 3.854 3.713 4.000 . 0 0 "[ . 1 . 2]" 1
229 1 23 ALA HA 1 26 ILE QG . . 6.000 4.330 4.208 4.867 . 0 0 "[ . 1 . 2]" 1
230 1 23 ALA HA 1 26 ILE MG . . 6.500 5.127 4.966 5.278 . 0 0 "[ . 1 . 2]" 1
231 1 23 ALA MB 1 24 ILE H . . 6.000 2.662 2.617 2.694 . 0 0 "[ . 1 . 2]" 1
232 1 23 ALA MB 1 25 ALA H . . 6.000 4.400 4.363 4.448 . 0 0 "[ . 1 . 2]" 1
233 1 23 ALA MB 1 27 GLN HA . . 6.000 6.029 6.011 6.063 0.063 14 0 "[ . 1 . 2]" 1
234 1 24 ILE H 1 24 ILE HA . . 2.800 2.907 2.900 2.909 0.109 3 0 "[ . 1 . 2]" 1
235 1 24 ILE H 1 25 ALA H . . 2.400 2.270 2.258 2.310 . 0 0 "[ . 1 . 2]" 1
236 1 24 ILE H 1 26 ILE H . . 4.000 4.011 4.000 4.033 0.033 12 0 "[ . 1 . 2]" 1
237 1 24 ILE H 1 26 ILE HB . . 6.000 5.700 5.608 5.789 . 0 0 "[ . 1 . 2]" 1
238 1 24 ILE H 1 26 ILE QG . . 6.000 5.433 5.366 5.685 . 0 0 "[ . 1 . 2]" 1
239 1 24 ILE H 1 27 GLN H . . 4.900 4.513 4.482 4.526 . 0 0 "[ . 1 . 2]" 1
240 1 24 ILE HA 1 25 ALA H . . 3.500 3.477 3.464 3.489 . 0 0 "[ . 1 . 2]" 1
241 1 24 ILE HA 1 26 ILE H . . 4.400 4.123 3.995 4.250 . 0 0 "[ . 1 . 2]" 1
242 1 24 ILE HA 1 27 GLN H . . 3.500 3.139 3.029 3.239 . 0 0 "[ . 1 . 2]" 1
243 1 24 ILE HA 1 27 GLN HA . . 5.000 4.810 4.668 4.951 . 0 0 "[ . 1 . 2]" 1
244 1 24 ILE HA 1 27 GLN HB2 . . 5.000 2.819 2.565 3.196 . 0 0 "[ . 1 . 2]" 1
245 1 24 ILE HA 1 28 GLY QA . . 6.000 5.610 4.898 5.740 . 0 0 "[ . 1 . 2]" 1
246 1 24 ILE HB 1 25 ALA MB . . 6.000 5.076 4.990 5.142 . 0 0 "[ . 1 . 2]" 1
247 1 24 ILE HB 1 27 GLN HA . . 7.000 6.887 6.714 7.028 0.028 1 0 "[ . 1 . 2]" 1
248 1 24 ILE MG 1 25 ALA HA . . 6.500 5.421 5.405 5.438 . 0 0 "[ . 1 . 2]" 1
249 1 24 ILE MG 1 25 ALA MB . . 7.500 5.019 4.956 5.092 . 0 0 "[ . 1 . 2]" 1
250 1 24 ILE MG 1 27 GLN HA . . 6.500 6.234 6.074 6.411 . 0 0 "[ . 1 . 2]" 1
251 1 24 ILE MG 1 27 GLN QG . . 7.500 4.533 4.017 5.125 . 0 0 "[ . 1 . 2]" 1
252 1 25 ALA H 1 25 ALA HA . . 2.800 2.826 2.814 2.848 0.048 18 0 "[ . 1 . 2]" 1
253 1 25 ALA H 1 26 ILE H . . 2.500 2.601 2.535 2.646 0.146 10 0 "[ . 1 . 2]" 1
254 1 25 ALA H 1 26 ILE HB . . 5.000 4.956 4.835 5.013 0.013 15 0 "[ . 1 . 2]" 1
255 1 25 ALA H 1 26 ILE QG . . 6.000 4.219 4.171 4.344 . 0 0 "[ . 1 . 2]" 1
256 1 25 ALA H 1 26 ILE MG . . 6.500 5.928 5.857 5.958 . 0 0 "[ . 1 . 2]" 1
257 1 25 ALA HA 1 26 ILE H . . 3.500 3.512 3.498 3.526 0.026 14 0 "[ . 1 . 2]" 1
258 1 25 ALA HA 1 27 GLN H . . 4.400 4.433 4.356 4.599 0.199 20 0 "[ . 1 . 2]" 1
259 1 25 ALA HA 1 27 GLN QB . . 6.000 5.088 5.010 5.316 . 0 0 "[ . 1 . 2]" 1
260 1 25 ALA HA 1 27 GLN QG . . 7.000 6.728 6.581 6.872 . 0 0 "[ . 1 . 2]" 1
261 1 25 ALA HA 1 28 GLY H . . 3.500 4.258 4.143 4.393 0.893 15 20 [***********-**+*****] 1
262 1 25 ALA HA 1 28 GLY QA . . 6.000 5.374 4.878 5.634 . 0 0 "[ . 1 . 2]" 1
263 1 25 ALA HA 1 29 GLY QA . . 6.000 5.122 4.436 6.029 0.029 12 0 "[ . 1 . 2]" 1
264 1 25 ALA MB 1 26 ILE H . . 6.000 2.736 2.615 2.816 . 0 0 "[ . 1 . 2]" 1
265 1 25 ALA MB 1 27 GLN QG . . 7.000 6.874 6.766 6.969 . 0 0 "[ . 1 . 2]" 1
266 1 25 ALA MB 1 28 GLY QA . . 7.000 6.104 5.840 6.284 . 0 0 "[ . 1 . 2]" 1
267 1 26 ILE H 1 26 ILE HA . . 2.800 2.915 2.904 2.927 0.127 15 0 "[ . 1 . 2]" 1
268 1 26 ILE H 1 27 GLN H . . 2.500 2.223 2.149 2.287 . 0 0 "[ . 1 . 2]" 1
269 1 26 ILE H 1 28 GLY H . . 4.000 4.009 3.922 4.030 0.030 18 0 "[ . 1 . 2]" 1
270 1 26 ILE H 1 29 GLY H . . 4.900 4.890 4.652 5.000 0.100 9 0 "[ . 1 . 2]" 1
271 1 26 ILE HA 1 27 GLN H . . 3.500 3.467 3.450 3.506 0.006 20 0 "[ . 1 . 2]" 1
272 1 26 ILE HA 1 28 GLY H . . 4.400 3.666 3.591 4.281 . 0 0 "[ . 1 . 2]" 1
273 1 26 ILE HA 1 28 GLY QA . . 6.000 5.195 5.150 5.487 . 0 0 "[ . 1 . 2]" 1
274 1 26 ILE HA 1 29 GLY H . . 3.500 2.978 2.845 3.301 . 0 0 "[ . 1 . 2]" 1
275 1 26 ILE HB 1 27 GLN H . . 5.000 2.962 2.794 3.027 . 0 0 "[ . 1 . 2]" 1
276 1 26 ILE HB 1 28 GLY H . . 6.000 4.996 4.925 5.306 . 0 0 "[ . 1 . 2]" 1
277 1 26 ILE MD 1 27 GLN HB2 . . 6.500 6.507 6.058 6.625 0.125 14 0 "[ . 1 . 2]" 1
278 1 26 ILE MD 1 27 GLN HB3 . . 6.500 6.531 6.504 6.547 0.047 18 0 "[ . 1 . 2]" 1
279 1 26 ILE MD 1 27 GLN QG . . 7.500 7.157 7.073 7.257 . 0 0 "[ . 1 . 2]" 1
280 1 26 ILE QG 1 27 GLN H . . 6.000 4.093 4.046 4.158 . 0 0 "[ . 1 . 2]" 1
281 1 26 ILE QG 1 29 GLY H . . 6.000 5.489 4.925 5.766 . 0 0 "[ . 1 . 2]" 1
282 1 26 ILE MG 1 27 GLN QG . . 7.500 5.675 5.447 5.961 . 0 0 "[ . 1 . 2]" 1
283 1 26 ILE MG 1 28 GLY H . . 6.500 4.579 4.499 5.134 . 0 0 "[ . 1 . 2]" 1
284 1 26 ILE MG 1 29 GLY H . . 6.500 3.770 3.570 4.488 . 0 0 "[ . 1 . 2]" 1
285 1 27 GLN H 1 27 GLN HA . . 2.800 2.785 2.778 2.841 0.041 12 0 "[ . 1 . 2]" 1
286 1 27 GLN H 1 28 GLY H . . 2.500 2.691 2.574 2.709 0.209 1 0 "[ . 1 . 2]" 1
287 1 27 GLN H 1 29 GLY H . . 4.000 4.094 3.897 4.207 0.207 1 0 "[ . 1 . 2]" 1
288 1 27 GLN HA 1 28 GLY H . . 3.500 3.462 3.444 3.531 0.031 12 0 "[ . 1 . 2]" 1
289 1 27 GLN HA 1 28 GLY QA . . 6.000 4.242 4.219 4.397 . 0 0 "[ . 1 . 2]" 1
290 1 27 GLN HA 1 29 GLY H . . 4.400 4.264 4.053 4.451 0.051 12 0 "[ . 1 . 2]" 1
291 1 27 GLN QB 1 28 GLY H . . 6.000 2.935 2.646 2.998 . 0 0 "[ . 1 . 2]" 1
292 1 27 GLN QB 1 29 GLY H . . 6.000 4.785 4.674 4.871 . 0 0 "[ . 1 . 2]" 1
293 1 27 GLN QB 1 29 GLY QA . . 7.000 6.006 5.938 6.077 . 0 0 "[ . 1 . 2]" 1
294 1 27 GLN QG 1 28 GLY H . . 6.000 3.825 3.499 3.915 . 0 0 "[ . 1 . 2]" 1
295 1 28 GLY H 1 29 GLY H . . 2.400 2.286 2.145 2.417 0.017 12 0 "[ . 1 . 2]" 1
296 1 28 GLY QA 1 29 GLY H . . 3.700 2.847 2.801 2.878 . 0 0 "[ . 1 . 2]" 1
297 1 29 GLY H 1 31 ARG H . . 4.000 3.677 3.297 4.002 0.002 4 0 "[ . 1 . 2]" 1
298 1 30 PRO HA 1 31 ARG H . . 3.500 3.477 3.423 3.564 0.064 12 0 "[ . 1 . 2]" 1
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