NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378831 |
1ho7   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ho7
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 260
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 1.135
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0182
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0757
_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 HIS 0.071 0.071 1 0 "[ ]"
1 2 SER 0.071 0.071 1 0 "[ ]"
1 3 LYS 0.000 0.000 . 0 "[ ]"
1 4 GLY 0.124 0.071 1 0 "[ ]"
1 5 LEU 0.142 0.072 1 0 "[ ]"
1 6 GLN 0.000 0.000 . 0 "[ ]"
1 7 ILE 0.125 0.071 1 0 "[ ]"
1 8 LEU 0.289 0.101 1 0 "[ ]"
1 9 GLY 0.174 0.088 1 0 "[ ]"
1 10 ARG 0.160 0.088 1 0 "[ ]"
1 11 THR 0.180 0.079 1 0 "[ ]"
1 12 LEU 0.180 0.101 1 0 "[ ]"
1 13 LYS 0.091 0.091 1 0 "[ ]"
1 14 ALA 0.089 0.089 1 0 "[ ]"
1 15 SER 0.169 0.091 1 0 "[ ]"
1 16 MET 0.089 0.089 1 0 "[ ]"
1 17 ARG 0.000 0.000 . 0 "[ ]"
1 18 GLU 0.161 0.083 1 0 "[ ]"
1 19 LEU 0.083 0.083 1 0 "[ ]"
1 20 GLY 0.000 0.000 . 0 "[ ]"
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 HIS H1 1 2 SER HA . . 4.200 4.271 4.271 4.271 0.071 1 0 "[ ]" 1
2 1 1 HIS H1 1 2 SER QB . . 6.380 5.150 5.150 5.150 . 0 0 "[ ]" 1
3 1 1 HIS HB2 1 2 SER H . . 5.500 4.006 4.006 4.006 . 0 0 "[ ]" 1
4 1 1 HIS HB3 1 2 SER H . . 5.500 3.014 3.014 3.014 . 0 0 "[ ]" 1
5 1 2 SER HA 1 4 GLY H . . 4.500 3.687 3.687 3.687 . 0 0 "[ ]" 1
6 1 2 SER HA 1 5 LEU H . . 5.500 4.078 4.078 4.078 . 0 0 "[ ]" 1
7 1 2 SER HA 1 5 LEU QB . . 6.380 5.070 5.070 5.070 . 0 0 "[ ]" 1
8 1 2 SER QB 1 3 LYS QB . . 8.250 5.349 5.349 5.349 . 0 0 "[ ]" 1
9 1 2 SER QB 1 5 LEU QD . . 9.970 3.232 3.232 3.232 . 0 0 "[ ]" 1
10 1 2 SER QB 1 6 GLN H . . 5.280 3.587 3.587 3.587 . 0 0 "[ ]" 1
11 1 2 SER HB2 1 3 LYS H . . 5.500 4.011 4.011 4.011 . 0 0 "[ ]" 1
12 1 2 SER HB3 1 3 LYS H . . 5.500 4.252 4.252 4.252 . 0 0 "[ ]" 1
13 1 3 LYS HA 1 5 LEU QD . . 7.200 4.909 4.909 4.909 . 0 0 "[ ]" 1
14 1 3 LYS HA 1 6 GLN H . . 4.700 3.787 3.787 3.787 . 0 0 "[ ]" 1
15 1 3 LYS HA 1 6 GLN HB2 . . 5.300 4.938 4.938 4.938 . 0 0 "[ ]" 1
16 1 3 LYS HA 1 6 GLN QB . . 4.610 3.944 3.944 3.944 . 0 0 "[ ]" 1
17 1 3 LYS HA 1 6 GLN HB3 . . 5.300 4.147 4.147 4.147 . 0 0 "[ ]" 1
18 1 3 LYS HA 1 7 ILE H . . 5.500 4.406 4.406 4.406 . 0 0 "[ ]" 1
19 1 3 LYS QB 1 4 GLY H . . 6.280 3.472 3.472 3.472 . 0 0 "[ ]" 1
20 1 3 LYS QB 1 7 ILE QG . . 7.350 4.100 4.100 4.100 . 0 0 "[ ]" 1
21 1 3 LYS QD 1 4 GLY H . . 7.380 6.026 6.026 6.026 . 0 0 "[ ]" 1
22 1 3 LYS QD 1 7 ILE MD . . 7.500 4.266 4.266 4.266 . 0 0 "[ ]" 1
23 1 4 GLY H 1 5 LEU H . . 4.700 2.604 2.604 2.604 . 0 0 "[ ]" 1
24 1 4 GLY H 1 5 LEU HA . . 4.900 4.971 4.971 4.971 0.071 1 0 "[ ]" 1
25 1 4 GLY H 1 7 ILE HB . . 5.500 5.553 5.553 5.553 0.053 1 0 "[ ]" 1
26 1 4 GLY QA 1 7 ILE H . . 4.770 3.929 3.929 3.929 . 0 0 "[ ]" 1
27 1 4 GLY QA 1 7 ILE HB . . 4.690 3.600 3.600 3.600 . 0 0 "[ ]" 1
28 1 4 GLY QA 1 7 ILE MD . . 7.400 3.868 3.868 3.868 . 0 0 "[ ]" 1
29 1 4 GLY QA 1 8 LEU H . . 5.280 3.997 3.997 3.997 . 0 0 "[ ]" 1
30 1 4 GLY HA2 1 7 ILE H . . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
31 1 4 GLY HA2 1 7 ILE HB . . 5.500 3.675 3.675 3.675 . 0 0 "[ ]" 1
32 1 4 GLY HA2 1 8 LEU H . . 5.500 4.247 4.247 4.247 . 0 0 "[ ]" 1
33 1 4 GLY HA3 1 7 ILE H . . 5.000 4.884 4.884 4.884 . 0 0 "[ ]" 1
34 1 4 GLY HA3 1 7 ILE HB . . 5.500 5.146 5.146 5.146 . 0 0 "[ ]" 1
35 1 4 GLY HA3 1 8 LEU H . . 5.500 4.872 4.872 4.872 . 0 0 "[ ]" 1
36 1 5 LEU H 1 5 LEU QB . . 3.850 2.475 2.475 2.475 . 0 0 "[ ]" 1
37 1 5 LEU H 1 5 LEU HG . . 4.800 3.362 3.362 3.362 . 0 0 "[ ]" 1
38 1 5 LEU H 1 6 GLN H . . 4.400 3.008 3.008 3.008 . 0 0 "[ ]" 1
39 1 5 LEU H 1 7 ILE H . . 5.500 4.259 4.259 4.259 . 0 0 "[ ]" 1
40 1 5 LEU H 1 8 LEU QD . . 9.100 4.352 4.352 4.352 . 0 0 "[ ]" 1
41 1 5 LEU HA 1 5 LEU HG . . 3.600 3.672 3.672 3.672 0.072 1 0 "[ ]" 1
42 1 5 LEU HA 1 7 ILE H . . 5.400 3.472 3.472 3.472 . 0 0 "[ ]" 1
43 1 5 LEU HA 1 8 LEU H . . 4.300 2.591 2.591 2.591 . 0 0 "[ ]" 1
44 1 5 LEU HA 1 8 LEU HB2 . . 4.200 2.151 2.151 2.151 . 0 0 "[ ]" 1
45 1 5 LEU HA 1 8 LEU QB . . 3.670 2.131 2.131 2.131 . 0 0 "[ ]" 1
46 1 5 LEU HA 1 8 LEU HB3 . . 4.200 3.462 3.462 3.462 . 0 0 "[ ]" 1
47 1 5 LEU HA 1 8 LEU MD1 . . 7.530 3.871 3.871 3.871 . 0 0 "[ ]" 1
48 1 5 LEU HA 1 8 LEU QD . . 6.460 3.470 3.470 3.470 . 0 0 "[ ]" 1
49 1 5 LEU HA 1 8 LEU MD2 . . 7.530 3.920 3.920 3.920 . 0 0 "[ ]" 1
50 1 5 LEU HA 1 9 GLY H . . 5.500 2.160 2.160 2.160 . 0 0 "[ ]" 1
51 1 5 LEU QB 1 6 GLN H . . 5.280 3.827 3.827 3.827 . 0 0 "[ ]" 1
52 1 5 LEU QB 1 8 LEU H . . 4.680 4.279 4.279 4.279 . 0 0 "[ ]" 1
53 1 5 LEU QB 1 8 LEU QB . . 4.290 3.484 3.484 3.484 . 0 0 "[ ]" 1
54 1 5 LEU QB 1 8 LEU QD . . 6.570 4.203 4.203 4.203 . 0 0 "[ ]" 1
55 1 5 LEU HB2 1 6 GLN H . . 5.500 4.223 4.223 4.223 . 0 0 "[ ]" 1
56 1 5 LEU HB2 1 8 LEU HB2 . . 5.350 4.130 4.130 4.130 . 0 0 "[ ]" 1
57 1 5 LEU HB2 1 8 LEU HB3 . . 5.350 4.817 4.817 4.817 . 0 0 "[ ]" 1
58 1 5 LEU HB3 1 6 GLN H . . 5.500 4.378 4.378 4.378 . 0 0 "[ ]" 1
59 1 5 LEU HB3 1 8 LEU HB2 . . 5.350 4.079 4.079 4.079 . 0 0 "[ ]" 1
60 1 5 LEU HB3 1 8 LEU HB3 . . 5.350 5.044 5.044 5.044 . 0 0 "[ ]" 1
61 1 5 LEU QD 1 7 ILE H . . 9.100 4.671 4.671 4.671 . 0 0 "[ ]" 1
62 1 5 LEU QD 1 8 LEU H . . 9.100 5.034 5.034 5.034 . 0 0 "[ ]" 1
63 1 5 LEU QD 1 9 GLY QA . . 8.070 3.707 3.707 3.707 . 0 0 "[ ]" 1
64 1 5 LEU HG 1 9 GLY H . . 5.500 5.095 5.095 5.095 . 0 0 "[ ]" 1
65 1 6 GLN H 1 6 GLN HB2 . . 3.800 3.648 3.648 3.648 . 0 0 "[ ]" 1
66 1 6 GLN H 1 6 GLN QB . . 3.500 2.431 2.431 2.431 . 0 0 "[ ]" 1
67 1 6 GLN H 1 6 GLN HB3 . . 3.800 2.468 2.468 2.468 . 0 0 "[ ]" 1
68 1 6 GLN H 1 6 GLN HG2 . . 5.200 2.504 2.504 2.504 . 0 0 "[ ]" 1
69 1 6 GLN H 1 6 GLN HG3 . . 5.200 3.779 3.779 3.779 . 0 0 "[ ]" 1
70 1 6 GLN HA 1 7 ILE HA . . 5.300 4.643 4.643 4.643 . 0 0 "[ ]" 1
71 1 6 GLN HA 1 9 GLY H . . 5.500 5.482 5.482 5.482 . 0 0 "[ ]" 1
72 1 6 GLN HA 1 9 GLY QA . . 6.180 5.467 5.467 5.467 . 0 0 "[ ]" 1
73 1 6 GLN QB 1 7 ILE H . . 4.320 3.819 3.819 3.819 . 0 0 "[ ]" 1
74 1 6 GLN HB2 1 7 ILE H . . 4.600 4.368 4.368 4.368 . 0 0 "[ ]" 1
75 1 6 GLN HB3 1 7 ILE H . . 4.600 4.214 4.214 4.214 . 0 0 "[ ]" 1
76 1 6 GLN QG 1 7 ILE H . . 6.380 2.826 2.826 2.826 . 0 0 "[ ]" 1
77 1 7 ILE H 1 7 ILE HB . . 3.400 2.550 2.550 2.550 . 0 0 "[ ]" 1
78 1 7 ILE H 1 8 LEU H . . 3.500 2.188 2.188 2.188 . 0 0 "[ ]" 1
79 1 7 ILE H 1 8 LEU HA . . 4.900 4.824 4.824 4.824 . 0 0 "[ ]" 1
80 1 7 ILE H 1 9 GLY H . . 5.500 4.650 4.650 4.650 . 0 0 "[ ]" 1
81 1 7 ILE HA 1 8 LEU HA . . 4.900 4.689 4.689 4.689 . 0 0 "[ ]" 1
82 1 7 ILE HA 1 10 ARG H . . 4.700 4.771 4.771 4.771 0.071 1 0 "[ ]" 1
83 1 7 ILE HA 1 10 ARG QB . . 6.080 3.942 3.942 3.942 . 0 0 "[ ]" 1
84 1 7 ILE HA 1 10 ARG QD . . 7.380 4.877 4.877 4.877 . 0 0 "[ ]" 1
85 1 7 ILE HA 1 11 THR H . . 5.500 3.912 3.912 3.912 . 0 0 "[ ]" 1
86 1 7 ILE HB 1 8 LEU H . . 3.800 2.814 2.814 2.814 . 0 0 "[ ]" 1
87 1 7 ILE HB 1 8 LEU QB . . 5.080 4.373 4.373 4.373 . 0 0 "[ ]" 1
88 1 7 ILE HB 1 8 LEU QD . . 5.800 2.734 2.734 2.734 . 0 0 "[ ]" 1
89 1 7 ILE QG 1 8 LEU H . . 7.180 4.085 4.085 4.085 . 0 0 "[ ]" 1
90 1 7 ILE QG 1 10 ARG H . . 7.380 6.025 6.025 6.025 . 0 0 "[ ]" 1
91 1 7 ILE QG 1 10 ARG QB . . 7.950 5.193 5.193 5.193 . 0 0 "[ ]" 1
92 1 7 ILE QG 1 10 ARG QD . . 8.350 5.571 5.571 5.571 . 0 0 "[ ]" 1
93 1 7 ILE MG 1 8 LEU QD . . 8.530 2.665 2.665 2.665 . 0 0 "[ ]" 1
94 1 7 ILE MG 1 10 ARG QB . . 9.300 5.456 5.456 5.456 . 0 0 "[ ]" 1
95 1 8 LEU H 1 9 GLY H . . 3.900 3.046 3.046 3.046 . 0 0 "[ ]" 1
96 1 8 LEU H 1 9 GLY HA2 . . 5.500 5.380 5.380 5.380 . 0 0 "[ ]" 1
97 1 8 LEU H 1 9 GLY QA . . 5.180 4.651 4.651 4.651 . 0 0 "[ ]" 1
98 1 8 LEU H 1 9 GLY HA3 . . 5.500 5.089 5.089 5.089 . 0 0 "[ ]" 1
99 1 8 LEU H 1 10 ARG H . . 4.200 3.784 3.784 3.784 . 0 0 "[ ]" 1
100 1 8 LEU H 1 10 ARG QB . . 6.480 4.793 4.793 4.793 . 0 0 "[ ]" 1
101 1 8 LEU H 1 11 THR H . . 4.500 4.525 4.525 4.525 0.025 1 0 "[ ]" 1
102 1 8 LEU H 1 12 LEU HG . . 4.600 4.701 4.701 4.701 0.101 1 0 "[ ]" 1
103 1 8 LEU HA 1 8 LEU HG . . 3.900 2.406 2.406 2.406 . 0 0 "[ ]" 1
104 1 8 LEU HA 1 9 GLY QA . . 5.780 4.354 4.354 4.354 . 0 0 "[ ]" 1
105 1 8 LEU HA 1 11 THR H . . 3.900 3.977 3.977 3.977 0.077 1 0 "[ ]" 1
106 1 8 LEU HA 1 11 THR MG . . 7.530 4.928 4.928 4.928 . 0 0 "[ ]" 1
107 1 8 LEU QB 1 9 GLY QA . . 5.790 3.228 3.228 3.228 . 0 0 "[ ]" 1
108 1 8 LEU QB 1 12 LEU H . . 5.080 4.543 4.543 4.543 . 0 0 "[ ]" 1
109 1 8 LEU QB 1 12 LEU QD . . 9.070 2.360 2.360 2.360 . 0 0 "[ ]" 1
110 1 8 LEU HB2 1 9 GLY HA2 . . 7.250 4.652 4.652 4.652 . 0 0 "[ ]" 1
111 1 8 LEU HB2 1 9 GLY HA3 . . 7.250 4.355 4.355 4.355 . 0 0 "[ ]" 1
112 1 8 LEU HB3 1 9 GLY HA2 . . 7.250 3.695 3.695 3.695 . 0 0 "[ ]" 1
113 1 8 LEU HB3 1 9 GLY HA3 . . 7.250 3.996 3.996 3.996 . 0 0 "[ ]" 1
114 1 8 LEU QD 1 12 LEU H . . 9.100 5.162 5.162 5.162 . 0 0 "[ ]" 1
115 1 8 LEU QD 1 12 LEU QD . . 9.190 2.741 2.741 2.741 . 0 0 "[ ]" 1
116 1 8 LEU HG 1 9 GLY H . . 4.200 4.286 4.286 4.286 0.086 1 0 "[ ]" 1
117 1 8 LEU HG 1 12 LEU QD . . 6.000 2.327 2.327 2.327 . 0 0 "[ ]" 1
118 1 9 GLY H 1 10 ARG H . . 4.000 3.096 3.096 3.096 . 0 0 "[ ]" 1
119 1 9 GLY H 1 10 ARG HA . . 5.500 5.588 5.588 5.588 0.088 1 0 "[ ]" 1
120 1 9 GLY QA 1 10 ARG QB . . 6.950 4.452 4.452 4.452 . 0 0 "[ ]" 1
121 1 9 GLY QA 1 11 THR HB . . 6.380 5.654 5.654 5.654 . 0 0 "[ ]" 1
122 1 9 GLY QA 1 13 LYS H . . 5.330 4.017 4.017 4.017 . 0 0 "[ ]" 1
123 1 9 GLY HA2 1 12 LEU H . . 5.500 3.712 3.712 3.712 . 0 0 "[ ]" 1
124 1 9 GLY HA2 1 13 LYS H . . 5.500 4.137 4.137 4.137 . 0 0 "[ ]" 1
125 1 9 GLY HA3 1 12 LEU H . . 5.500 5.031 5.031 5.031 . 0 0 "[ ]" 1
126 1 9 GLY HA3 1 13 LYS H . . 5.500 5.443 5.443 5.443 . 0 0 "[ ]" 1
127 1 10 ARG H 1 11 THR HA . . 5.500 5.214 5.214 5.214 . 0 0 "[ ]" 1
128 1 10 ARG H 1 13 LYS QB . . 5.280 4.473 4.473 4.473 . 0 0 "[ ]" 1
129 1 10 ARG HA 1 10 ARG QG . . 3.820 2.429 2.429 2.429 . 0 0 "[ ]" 1
130 1 10 ARG HA 1 13 LYS H . . 4.400 3.657 3.657 3.657 . 0 0 "[ ]" 1
131 1 10 ARG HA 1 13 LYS QB . . 4.480 2.620 2.620 2.620 . 0 0 "[ ]" 1
132 1 10 ARG HA 1 14 ALA H . . 5.500 4.229 4.229 4.229 . 0 0 "[ ]" 1
133 1 10 ARG HA 1 14 ALA MB . . 7.530 4.766 4.766 4.766 . 0 0 "[ ]" 1
134 1 10 ARG QB 1 13 LYS H . . 6.380 4.889 4.889 4.889 . 0 0 "[ ]" 1
135 1 10 ARG QB 1 14 ALA H . . 7.380 5.375 5.375 5.375 . 0 0 "[ ]" 1
136 1 10 ARG QD 1 11 THR H . . 7.380 4.423 4.423 4.423 . 0 0 "[ ]" 1
137 1 10 ARG QG 1 11 THR H . . 6.080 3.569 3.569 3.569 . 0 0 "[ ]" 1
138 1 10 ARG QG 1 13 LYS H . . 5.080 4.522 4.522 4.522 . 0 0 "[ ]" 1
139 1 10 ARG QG 1 13 LYS QG . . 5.450 4.109 4.109 4.109 . 0 0 "[ ]" 1
140 1 10 ARG QG 1 14 ALA H . . 5.080 4.188 4.188 4.188 . 0 0 "[ ]" 1
141 1 10 ARG QG 1 14 ALA MB . . 5.800 3.532 3.532 3.532 . 0 0 "[ ]" 1
142 1 11 THR H 1 11 THR HB . . 3.800 2.681 2.681 2.681 . 0 0 "[ ]" 1
143 1 11 THR H 1 12 LEU H . . 3.600 2.526 2.526 2.526 . 0 0 "[ ]" 1
144 1 11 THR H 1 14 ALA MB . . 6.330 4.863 4.863 4.863 . 0 0 "[ ]" 1
145 1 11 THR HA 1 13 LYS H . . 5.500 3.788 3.788 3.788 . 0 0 "[ ]" 1
146 1 11 THR HA 1 14 ALA H . . 4.700 3.507 3.507 3.507 . 0 0 "[ ]" 1
147 1 11 THR HA 1 14 ALA MB . . 4.830 2.704 2.704 2.704 . 0 0 "[ ]" 1
148 1 11 THR HA 1 15 SER H . . 3.900 3.900 3.900 3.900 . 0 0 "[ ]" 1
149 1 11 THR HB 1 12 LEU H . . 3.900 2.460 2.460 2.460 . 0 0 "[ ]" 1
150 1 11 THR HB 1 12 LEU HA . . 3.800 3.879 3.879 3.879 0.079 1 0 "[ ]" 1
151 1 11 THR HB 1 12 LEU QB . . 6.380 4.459 4.459 4.459 . 0 0 "[ ]" 1
152 1 11 THR HB 1 12 LEU QD . . 9.100 2.998 2.998 2.998 . 0 0 "[ ]" 1
153 1 11 THR HB 1 13 LYS H . . 5.500 4.628 4.628 4.628 . 0 0 "[ ]" 1
154 1 11 THR MG 1 12 LEU H . . 7.530 3.786 3.786 3.786 . 0 0 "[ ]" 1
155 1 11 THR MG 1 12 LEU HA . . 6.930 3.905 3.905 3.905 . 0 0 "[ ]" 1
156 1 11 THR MG 1 15 SER QB . . 7.400 3.315 3.315 3.315 . 0 0 "[ ]" 1
157 1 12 LEU H 1 13 LYS H . . 3.900 2.717 2.717 2.717 . 0 0 "[ ]" 1
158 1 12 LEU H 1 13 LYS QB . . 4.880 4.295 4.295 4.295 . 0 0 "[ ]" 1
159 1 12 LEU H 1 15 SER QB . . 4.880 4.467 4.467 4.467 . 0 0 "[ ]" 1
160 1 12 LEU HA 1 15 SER H . . 3.900 3.426 3.426 3.426 . 0 0 "[ ]" 1
161 1 12 LEU QB 1 13 LYS QB . . 5.350 3.984 3.984 3.984 . 0 0 "[ ]" 1
162 1 12 LEU QB 1 15 SER QB . . 5.150 3.848 3.848 3.848 . 0 0 "[ ]" 1
163 1 12 LEU QB 1 16 MET H . . 5.680 4.554 4.554 4.554 . 0 0 "[ ]" 1
164 1 12 LEU QD 1 13 LYS H . . 9.100 4.380 4.380 4.380 . 0 0 "[ ]" 1
165 1 12 LEU QD 1 15 SER QB . . 7.170 3.409 3.409 3.409 . 0 0 "[ ]" 1
166 1 12 LEU HG 1 13 LYS H . . 5.500 4.738 4.738 4.738 . 0 0 "[ ]" 1
167 1 13 LYS H 1 13 LYS HB2 . . 3.700 3.317 3.317 3.317 . 0 0 "[ ]" 1
168 1 13 LYS H 1 13 LYS QB . . 3.490 2.196 2.196 2.196 . 0 0 "[ ]" 1
169 1 13 LYS H 1 13 LYS HB3 . . 3.700 2.229 2.229 2.229 . 0 0 "[ ]" 1
170 1 13 LYS H 1 13 LYS HG2 . . 5.500 3.762 3.762 3.762 . 0 0 "[ ]" 1
171 1 13 LYS H 1 13 LYS QG . . 4.860 3.557 3.557 3.557 . 0 0 "[ ]" 1
172 1 13 LYS H 1 13 LYS HG3 . . 5.500 4.383 4.383 4.383 . 0 0 "[ ]" 1
173 1 13 LYS H 1 14 ALA H . . 3.500 1.993 1.993 1.993 . 0 0 "[ ]" 1
174 1 13 LYS H 1 14 ALA HA . . 5.500 4.790 4.790 4.790 . 0 0 "[ ]" 1
175 1 13 LYS H 1 15 SER H . . 3.200 3.291 3.291 3.291 0.091 1 0 "[ ]" 1
176 1 13 LYS HA 1 16 MET H . . 5.000 3.025 3.025 3.025 . 0 0 "[ ]" 1
177 1 13 LYS HA 1 16 MET HB2 . . 4.400 2.294 2.294 2.294 . 0 0 "[ ]" 1
178 1 13 LYS HA 1 16 MET QB . . 4.210 2.279 2.279 2.279 . 0 0 "[ ]" 1
179 1 13 LYS HA 1 16 MET HB3 . . 4.400 3.933 3.933 3.933 . 0 0 "[ ]" 1
180 1 13 LYS HA 1 16 MET QG . . 6.380 3.881 3.881 3.881 . 0 0 "[ ]" 1
181 1 13 LYS QB 1 14 ALA H . . 4.690 2.822 2.822 2.822 . 0 0 "[ ]" 1
182 1 13 LYS QB 1 14 ALA HA . . 5.880 4.686 4.686 4.686 . 0 0 "[ ]" 1
183 1 13 LYS QB 1 14 ALA MB . . 8.400 4.191 4.191 4.191 . 0 0 "[ ]" 1
184 1 13 LYS QB 1 15 SER H . . 6.380 4.740 4.740 4.740 . 0 0 "[ ]" 1
185 1 13 LYS QB 1 16 MET QB . . 6.320 4.070 4.070 4.070 . 0 0 "[ ]" 1
186 1 13 LYS HB2 1 14 ALA H . . 5.200 4.070 4.070 4.070 . 0 0 "[ ]" 1
187 1 13 LYS HB2 1 16 MET HB2 . . 7.250 4.407 4.407 4.407 . 0 0 "[ ]" 1
188 1 13 LYS HB2 1 16 MET HB3 . . 7.250 5.818 5.818 5.818 . 0 0 "[ ]" 1
189 1 13 LYS HB3 1 14 ALA H . . 5.200 2.877 2.877 2.877 . 0 0 "[ ]" 1
190 1 13 LYS HB3 1 16 MET HB2 . . 7.250 5.242 5.242 5.242 . 0 0 "[ ]" 1
191 1 13 LYS HB3 1 16 MET HB3 . . 7.250 6.863 6.863 6.863 . 0 0 "[ ]" 1
192 1 13 LYS QD 1 14 ALA MB . . 8.500 5.179 5.179 5.179 . 0 0 "[ ]" 1
193 1 13 LYS QD 1 17 ARG HB2 . . 6.880 5.632 5.632 5.632 . 0 0 "[ ]" 1
194 1 13 LYS QD 1 17 ARG QB . . 6.430 5.161 5.161 5.161 . 0 0 "[ ]" 1
195 1 13 LYS QD 1 17 ARG HB3 . . 6.880 5.994 5.994 5.994 . 0 0 "[ ]" 1
196 1 13 LYS QD 1 17 ARG QD . . 8.150 6.534 6.534 6.534 . 0 0 "[ ]" 1
197 1 13 LYS QE 1 17 ARG QG . . 9.250 4.895 4.895 4.895 . 0 0 "[ ]" 1
198 1 13 LYS QG 1 14 ALA MB . . 4.900 3.451 3.451 3.451 . 0 0 "[ ]" 1
199 1 13 LYS QG 1 17 ARG QB . . 6.150 3.479 3.479 3.479 . 0 0 "[ ]" 1
200 1 14 ALA H 1 15 SER H . . 3.200 2.477 2.477 2.477 . 0 0 "[ ]" 1
201 1 14 ALA H 1 15 SER QB . . 6.380 4.214 4.214 4.214 . 0 0 "[ ]" 1
202 1 14 ALA H 1 16 MET H . . 3.800 3.889 3.889 3.889 0.089 1 0 "[ ]" 1
203 1 14 ALA HA 1 15 SER HA . . 4.900 4.855 4.855 4.855 . 0 0 "[ ]" 1
204 1 14 ALA HA 1 17 ARG H . . 4.500 3.401 3.401 3.401 . 0 0 "[ ]" 1
205 1 14 ALA HA 1 17 ARG QB . . 4.780 2.610 2.610 2.610 . 0 0 "[ ]" 1
206 1 14 ALA HA 1 18 GLU H . . 5.200 4.616 4.616 4.616 . 0 0 "[ ]" 1
207 1 14 ALA MB 1 15 SER HA . . 7.530 3.977 3.977 3.977 . 0 0 "[ ]" 1
208 1 14 ALA MB 1 15 SER QB . . 5.600 3.872 3.872 3.872 . 0 0 "[ ]" 1
209 1 14 ALA MB 1 17 ARG QB . . 8.400 4.092 4.092 4.092 . 0 0 "[ ]" 1
210 1 15 SER H 1 15 SER HB2 . . 3.900 2.340 2.340 2.340 . 0 0 "[ ]" 1
211 1 15 SER H 1 15 SER HB3 . . 3.900 2.738 2.738 2.738 . 0 0 "[ ]" 1
212 1 15 SER H 1 16 MET H . . 3.100 2.775 2.775 2.775 . 0 0 "[ ]" 1
213 1 15 SER H 1 16 MET HA . . 5.500 5.410 5.410 5.410 . 0 0 "[ ]" 1
214 1 15 SER H 1 17 ARG QB . . 6.380 5.056 5.056 5.056 . 0 0 "[ ]" 1
215 1 15 SER HA 1 18 GLU HB2 . . 3.700 2.244 2.244 2.244 . 0 0 "[ ]" 1
216 1 15 SER HA 1 18 GLU QB . . 3.490 2.228 2.228 2.228 . 0 0 "[ ]" 1
217 1 15 SER HA 1 18 GLU HB3 . . 3.700 3.778 3.778 3.778 0.078 1 0 "[ ]" 1
218 1 15 SER QB 1 16 MET H . . 4.480 2.491 2.491 2.491 . 0 0 "[ ]" 1
219 1 15 SER QB 1 16 MET HA . . 5.880 4.081 4.081 4.081 . 0 0 "[ ]" 1
220 1 15 SER QB 1 16 MET QB . . 5.650 4.167 4.167 4.167 . 0 0 "[ ]" 1
221 1 15 SER QB 1 16 MET QG . . 7.250 3.302 3.302 3.302 . 0 0 "[ ]" 1
222 1 16 MET H 1 16 MET HB2 . . 3.800 2.285 2.285 2.285 . 0 0 "[ ]" 1
223 1 16 MET H 1 16 MET HB3 . . 3.800 3.577 3.577 3.577 . 0 0 "[ ]" 1
224 1 16 MET H 1 16 MET HG2 . . 5.100 3.870 3.870 3.870 . 0 0 "[ ]" 1
225 1 16 MET H 1 16 MET QG . . 4.870 2.745 2.745 2.745 . 0 0 "[ ]" 1
226 1 16 MET H 1 16 MET HG3 . . 5.100 2.808 2.808 2.808 . 0 0 "[ ]" 1
227 1 16 MET H 1 17 ARG H . . 3.500 2.751 2.751 2.751 . 0 0 "[ ]" 1
228 1 16 MET H 1 17 ARG HA . . 5.500 5.376 5.376 5.376 . 0 0 "[ ]" 1
229 1 16 MET H 1 17 ARG QB . . 5.480 4.367 4.367 4.367 . 0 0 "[ ]" 1
230 1 16 MET HA 1 19 LEU HB2 . . 5.000 3.159 3.159 3.159 . 0 0 "[ ]" 1
231 1 16 MET HA 1 19 LEU QB . . 4.770 3.118 3.118 3.118 . 0 0 "[ ]" 1
232 1 16 MET HA 1 19 LEU HB3 . . 5.000 4.794 4.794 4.794 . 0 0 "[ ]" 1
233 1 16 MET HA 1 19 LEU QD . . 9.100 2.801 2.801 2.801 . 0 0 "[ ]" 1
234 1 16 MET HA 1 19 LEU HG . . 5.500 4.355 4.355 4.355 . 0 0 "[ ]" 1
235 1 16 MET QB 1 17 ARG QB . . 5.150 3.915 3.915 3.915 . 0 0 "[ ]" 1
236 1 16 MET QB 1 19 LEU H . . 6.380 5.372 5.372 5.372 . 0 0 "[ ]" 1
237 1 16 MET HB2 1 17 ARG H . . 5.300 3.646 3.646 3.646 . 0 0 "[ ]" 1
238 1 16 MET HB2 1 17 ARG HB2 . . 5.750 4.599 4.599 4.599 . 0 0 "[ ]" 1
239 1 16 MET HB2 1 17 ARG HB3 . . 5.750 5.214 5.214 5.214 . 0 0 "[ ]" 1
240 1 16 MET HB3 1 17 ARG H . . 5.300 4.138 4.138 4.138 . 0 0 "[ ]" 1
241 1 16 MET HB3 1 17 ARG HB2 . . 5.750 4.698 4.698 4.698 . 0 0 "[ ]" 1
242 1 16 MET HB3 1 17 ARG HB3 . . 5.750 5.698 5.698 5.698 . 0 0 "[ ]" 1
243 1 17 ARG H 1 17 ARG HB2 . . 4.200 2.968 2.968 2.968 . 0 0 "[ ]" 1
244 1 17 ARG H 1 17 ARG HB3 . . 4.200 2.525 2.525 2.525 . 0 0 "[ ]" 1
245 1 17 ARG H 1 18 GLU H . . 4.800 2.123 2.123 2.123 . 0 0 "[ ]" 1
246 1 17 ARG HA 1 17 ARG HD2 . . 5.200 4.800 4.800 4.800 . 0 0 "[ ]" 1
247 1 17 ARG HA 1 17 ARG QD . . 4.740 3.717 3.717 3.717 . 0 0 "[ ]" 1
248 1 17 ARG HA 1 17 ARG HD3 . . 5.200 3.871 3.871 3.871 . 0 0 "[ ]" 1
249 1 17 ARG QB 1 18 GLU QB . . 7.250 4.823 4.823 4.823 . 0 0 "[ ]" 1
250 1 17 ARG QG 1 18 GLU H . . 7.380 4.714 4.714 4.714 . 0 0 "[ ]" 1
251 1 18 GLU H 1 18 GLU HB2 . . 3.800 2.287 2.287 2.287 . 0 0 "[ ]" 1
252 1 18 GLU H 1 18 GLU HB3 . . 3.800 3.510 3.510 3.510 . 0 0 "[ ]" 1
253 1 18 GLU H 1 18 GLU HG2 . . 5.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
254 1 18 GLU H 1 18 GLU HG3 . . 5.500 4.506 4.506 4.506 . 0 0 "[ ]" 1
255 1 18 GLU H 1 19 LEU H . . 5.100 1.954 1.954 1.954 . 0 0 "[ ]" 1
256 1 18 GLU H 1 19 LEU HA . . 4.500 4.583 4.583 4.583 0.083 1 0 "[ ]" 1
257 1 18 GLU QB 1 19 LEU HA . . 4.380 3.680 3.680 3.680 . 0 0 "[ ]" 1
258 1 18 GLU QB 1 20 GLY H . . 6.180 5.590 5.590 5.590 . 0 0 "[ ]" 1
259 1 18 GLU HB2 1 19 LEU H . . 5.400 2.759 2.759 2.759 . 0 0 "[ ]" 1
260 1 18 GLU HB3 1 19 LEU H . . 5.400 3.545 3.545 3.545 . 0 0 "[ ]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, June 23, 2024 3:12:29 AM GMT (wattos1)