NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
648694 |
6n68   |
30544 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6n68
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 135
_Distance_constraint_stats_list.Viol_count 318
_Distance_constraint_stats_list.Viol_total 1721.183
_Distance_constraint_stats_list.Viol_max 1.379
_Distance_constraint_stats_list.Viol_rms 0.1196
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0319
_Distance_constraint_stats_list.Viol_average_violations_only 0.2706
_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 ILE 8.287 0.914 1 5 "[+ . **1 * . - 2]"
1 2 LEU 3.037 0.219 4 0 "[ . 1 . 2]"
1 3 GLY 19.486 0.914 1 10 "[+ . **1*** ** -*2]"
1 4 THR 18.855 0.614 18 8 "[ . *1**- ** +*2]"
1 5 ILE 11.081 0.566 8 1 "[ . + 1 . 2]"
1 6 LEU 10.868 0.537 19 4 "[ . 1* .- *+2]"
1 7 GLY 18.770 0.654 18 4 "[ . 1* .- +*2]"
1 8 LEU 16.301 0.566 8 1 "[ . + 1 . 2]"
1 9 LEU 30.904 1.379 20 20 [******************-+]
1 10 LYS 5.673 0.654 18 1 "[ . 1 . + 2]"
1 11 GLY 0.361 0.129 19 0 "[ . 1 . 2]"
1 12 LEU 25.550 1.379 20 20 [******************-+]
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 ILE HA 1 1 ILE MD 4.700 . 4.700 3.914 3.325 4.188 . 0 0 "[ . 1 . 2]" 1
2 1 1 ILE HA 1 1 ILE MG 3.600 . 3.600 2.181 2.078 2.489 . 0 0 "[ . 1 . 2]" 1
3 1 1 ILE HA 1 3 GLY H 4.690 . 4.690 4.187 3.540 5.439 0.749 9 4 "[ . -+1 * . * 2]" 1
4 1 1 ILE HA 1 4 THR H 4.920 . 4.920 4.133 3.290 4.498 . 0 0 "[ . 1 . 2]" 1
5 1 1 ILE HB 1 2 LEU H 4.180 . 4.180 3.455 2.302 4.178 . 0 0 "[ . 1 . 2]" 1
6 1 1 ILE HB 1 3 GLY H 4.910 . 4.910 4.745 4.337 5.824 0.914 1 2 "[+ . 1 . - 2]" 1
7 1 1 ILE MD 1 4 THR H 5.180 . 5.180 4.360 3.846 5.635 0.455 20 0 "[ . 1 . 2]" 1
8 1 1 ILE MG 1 2 LEU H 4.430 . 4.430 3.856 2.845 4.374 . 0 0 "[ . 1 . 2]" 1
9 1 1 ILE MG 1 3 GLY H 5.130 . 5.130 4.966 4.537 5.825 0.695 18 3 "[* . -1 . + 2]" 1
10 1 2 LEU H 1 2 LEU HB2 4.050 . 4.050 2.677 2.263 3.824 . 0 0 "[ . 1 . 2]" 1
11 1 2 LEU H 1 2 LEU HB3 3.940 . 3.940 3.523 3.031 3.739 . 0 0 "[ . 1 . 2]" 1
12 1 2 LEU H 1 2 LEU MD1 4.620 . 4.620 2.941 2.288 4.091 . 0 0 "[ . 1 . 2]" 1
13 1 2 LEU H 1 2 LEU MD2 4.760 . 4.760 3.882 1.992 4.414 . 0 0 "[ . 1 . 2]" 1
14 1 2 LEU H 1 2 LEU HG 5.500 . 5.500 3.006 2.006 3.872 . 0 0 "[ . 1 . 2]" 1
15 1 2 LEU H 1 3 GLY H 4.290 . 4.290 2.427 2.049 2.954 . 0 0 "[ . 1 . 2]" 1
16 1 2 LEU HA 1 3 GLY H 3.500 . 3.500 3.599 3.549 3.639 0.139 8 0 "[ . 1 . 2]" 1
17 1 2 LEU HA 1 4 THR H 4.390 . 4.390 3.944 3.632 4.179 . 0 0 "[ . 1 . 2]" 1
18 1 2 LEU HA 1 5 ILE HB 4.250 . 4.250 4.126 3.620 4.361 0.111 19 0 "[ . 1 . 2]" 1
19 1 2 LEU HA 1 6 LEU H 4.850 . 4.850 4.389 4.125 4.534 . 0 0 "[ . 1 . 2]" 1
20 1 2 LEU HB2 1 3 GLY H 4.150 . 4.150 3.008 2.345 3.842 . 0 0 "[ . 1 . 2]" 1
21 1 2 LEU HB2 1 4 THR H 5.270 . 5.270 5.114 4.763 5.412 0.142 4 0 "[ . 1 . 2]" 1
22 1 2 LEU HB3 1 2 LEU MD1 3.560 . 3.560 3.007 2.551 3.264 . 0 0 "[ . 1 . 2]" 1
23 1 2 LEU HB3 1 2 LEU MD2 3.310 . 3.310 2.245 2.157 2.348 . 0 0 "[ . 1 . 2]" 1
24 1 2 LEU HB3 1 3 GLY H 3.950 . 3.950 3.722 3.198 4.169 0.219 4 0 "[ . 1 . 2]" 1
25 1 2 LEU MD1 1 3 GLY H 4.840 . 4.840 3.983 2.541 4.538 . 0 0 "[ . 1 . 2]" 1
26 1 2 LEU MD2 1 3 GLY H 5.500 . 5.500 4.720 3.126 5.126 . 0 0 "[ . 1 . 2]" 1
27 1 2 LEU HG 1 3 GLY H 5.350 . 5.350 4.339 2.075 5.158 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLY H 1 4 THR H 3.550 . 3.550 2.743 2.639 2.845 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLY H 1 4 THR HA 4.790 . 4.790 5.249 5.142 5.404 0.614 18 8 "[ . *1**- ** +*2]" 1
30 1 3 GLY HA2 1 6 LEU H 4.770 . 4.770 3.714 3.520 4.286 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLY HA2 1 6 LEU HB2 4.450 . 4.450 2.862 2.283 3.519 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLY HA2 1 6 LEU HB3 4.830 . 4.830 3.139 2.348 4.063 . 0 0 "[ . 1 . 2]" 1
33 1 3 GLY HA2 1 6 LEU MD1 4.810 . 4.810 3.342 3.097 3.978 . 0 0 "[ . 1 . 2]" 1
34 1 4 THR H 1 4 THR HB 3.330 . 3.330 2.706 2.589 2.824 . 0 0 "[ . 1 . 2]" 1
35 1 4 THR H 1 4 THR MG 3.900 . 3.900 3.800 3.743 3.876 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR H 1 5 ILE H 3.770 . 3.770 2.740 2.535 2.955 . 0 0 "[ . 1 . 2]" 1
37 1 4 THR H 1 5 ILE HB 4.770 . 4.770 5.023 4.653 5.258 0.488 4 0 "[ . 1 . 2]" 1
38 1 4 THR HA 1 4 THR MG 3.360 . 3.360 2.288 2.232 2.378 . 0 0 "[ . 1 . 2]" 1
39 1 4 THR HA 1 5 ILE QG 4.960 . 4.960 4.850 4.665 5.193 0.233 19 0 "[ . 1 . 2]" 1
40 1 4 THR HA 1 6 LEU H 4.870 . 4.870 4.607 4.250 4.827 . 0 0 "[ . 1 . 2]" 1
41 1 4 THR HA 1 8 LEU QD 5.500 . 5.500 3.845 3.656 4.067 . 0 0 "[ . 1 . 2]" 1
42 1 4 THR HB 1 5 ILE H 4.270 . 4.270 2.428 2.325 2.551 . 0 0 "[ . 1 . 2]" 1
43 1 4 THR HB 1 7 GLY H 5.480 . 5.480 5.435 5.185 5.732 0.252 16 0 "[ . 1 . 2]" 1
44 1 4 THR MG 1 5 ILE H 3.980 . 3.980 3.602 3.418 3.806 . 0 0 "[ . 1 . 2]" 1
45 1 4 THR MG 1 5 ILE HA 3.820 . 3.820 3.666 3.446 3.839 0.019 9 0 "[ . 1 . 2]" 1
46 1 4 THR MG 1 5 ILE QG 3.510 . 3.510 3.411 3.197 3.656 0.146 13 0 "[ . 1 . 2]" 1
47 1 4 THR MG 1 6 LEU H 5.100 . 5.100 5.196 5.009 5.346 0.246 8 0 "[ . 1 . 2]" 1
48 1 4 THR MG 1 7 GLY H 5.350 . 5.350 4.821 4.679 4.978 . 0 0 "[ . 1 . 2]" 1
49 1 4 THR MG 1 8 LEU H 5.090 . 5.090 4.619 4.417 5.114 0.024 18 0 "[ . 1 . 2]" 1
50 1 5 ILE H 1 5 ILE HB 3.600 . 3.600 2.534 2.465 2.644 . 0 0 "[ . 1 . 2]" 1
51 1 5 ILE H 1 5 ILE QG 4.060 . 4.060 2.146 2.065 2.698 . 0 0 "[ . 1 . 2]" 1
52 1 5 ILE H 1 5 ILE MG 4.280 . 4.280 3.789 3.764 3.819 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE H 1 6 LEU H 3.910 . 3.910 2.531 2.327 2.706 . 0 0 "[ . 1 . 2]" 1
54 1 5 ILE HA 1 5 ILE MG 3.160 . 3.160 2.340 2.271 2.382 . 0 0 "[ . 1 . 2]" 1
55 1 5 ILE HA 1 8 LEU H 3.900 . 3.900 3.494 3.297 3.645 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE HA 1 8 LEU HB2 4.010 . 4.010 2.825 2.566 3.117 . 0 0 "[ . 1 . 2]" 1
57 1 5 ILE HA 1 8 LEU HB3 4.190 . 4.190 4.449 4.191 4.756 0.566 8 1 "[ . + 1 . 2]" 1
58 1 5 ILE HA 1 8 LEU HG 4.410 . 4.410 3.955 3.613 4.235 . 0 0 "[ . 1 . 2]" 1
59 1 5 ILE HB 1 6 LEU H 3.700 . 3.700 2.836 2.672 3.264 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU H 1 6 LEU HB2 3.510 . 3.510 2.072 1.835 2.197 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU H 1 6 LEU HB3 3.670 . 3.670 3.095 2.463 3.490 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU H 1 6 LEU MD1 4.270 . 4.270 3.541 3.135 3.944 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU H 1 7 GLY H 3.570 . 3.570 2.796 2.559 2.920 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU H 1 7 GLY HA3 4.630 . 4.630 5.045 4.809 5.167 0.537 19 4 "[ . 1* .- *+2]" 1
65 1 6 LEU H 1 8 LEU H 4.670 . 4.670 4.211 3.992 4.483 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU H 1 9 LEU QB 5.310 . 5.310 5.097 4.682 5.257 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU HA 1 6 LEU MD1 3.800 . 3.800 3.748 3.583 3.856 0.056 2 0 "[ . 1 . 2]" 1
68 1 6 LEU HA 1 6 LEU MD2 3.320 . 3.320 2.686 2.335 3.342 0.022 18 0 "[ . 1 . 2]" 1
69 1 6 LEU HA 1 9 LEU H 3.950 . 3.950 3.846 3.649 4.129 0.179 18 0 "[ . 1 . 2]" 1
70 1 6 LEU HA 1 9 LEU QB 3.500 . 3.500 3.099 2.481 3.437 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU HB2 1 6 LEU MD1 3.440 . 3.440 2.218 2.121 2.307 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU HB2 1 7 GLY H 4.020 . 4.020 3.416 2.983 4.033 0.013 18 0 "[ . 1 . 2]" 1
73 1 6 LEU HB3 1 6 LEU MD2 3.630 . 3.630 2.312 2.229 2.363 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU HB3 1 7 GLY H 3.980 . 3.980 3.242 2.655 3.663 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU MD1 1 7 GLY H 5.080 . 5.080 4.910 4.753 5.121 0.041 18 0 "[ . 1 . 2]" 1
76 1 6 LEU MD1 1 10 LYS QE 5.340 . 5.340 4.312 4.042 4.696 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU MD2 1 10 LYS QE 5.310 . 5.310 2.134 1.968 2.291 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLY H 1 8 LEU H 3.500 . 3.500 2.560 2.414 2.714 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLY H 1 8 LEU HA 4.810 . 4.810 5.177 5.058 5.296 0.486 19 0 "[ . 1 . 2]" 1
80 1 7 GLY H 1 8 LEU HB2 5.030 . 5.030 4.593 4.408 4.725 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLY H 1 8 LEU QD 4.530 . 4.530 4.403 4.092 4.686 0.156 6 0 "[ . 1 . 2]" 1
82 1 7 GLY H 1 8 LEU HG 5.020 . 5.020 4.278 4.043 4.567 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLY H 1 9 LEU QB 5.100 . 5.100 5.008 4.627 5.248 0.148 15 0 "[ . 1 . 2]" 1
84 1 7 GLY HA2 1 9 LEU H 5.330 . 5.330 3.794 3.387 4.392 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLY HA2 1 10 LYS H 4.460 . 4.460 3.550 3.074 4.650 0.190 18 0 "[ . 1 . 2]" 1
86 1 7 GLY HA3 1 9 LEU H 4.840 . 4.840 4.461 4.202 4.791 . 0 0 "[ . 1 . 2]" 1
87 1 7 GLY HA3 1 10 LYS H 4.990 . 4.990 4.830 4.560 5.644 0.654 18 1 "[ . 1 . + 2]" 1
88 1 8 LEU H 1 8 LEU HB2 3.460 . 3.460 2.305 2.243 2.384 . 0 0 "[ . 1 . 2]" 1
89 1 8 LEU H 1 8 LEU HB3 3.630 . 3.630 3.569 3.532 3.625 . 0 0 "[ . 1 . 2]" 1
90 1 8 LEU H 1 8 LEU QD 3.720 . 3.720 3.088 2.962 3.275 . 0 0 "[ . 1 . 2]" 1
91 1 8 LEU H 1 8 LEU HG 3.700 . 3.700 2.517 2.235 2.820 . 0 0 "[ . 1 . 2]" 1
92 1 8 LEU H 1 9 LEU H 3.490 . 3.490 2.534 2.317 2.784 . 0 0 "[ . 1 . 2]" 1
93 1 8 LEU H 1 9 LEU HA 5.260 . 5.260 5.086 4.819 5.326 0.066 11 0 "[ . 1 . 2]" 1
94 1 8 LEU H 1 9 LEU QB 4.300 . 4.300 4.061 3.745 4.367 0.067 11 0 "[ . 1 . 2]" 1
95 1 8 LEU H 1 9 LEU QD 5.230 . 5.230 5.205 4.852 5.371 0.141 16 0 "[ . 1 . 2]" 1
96 1 8 LEU HA 1 8 LEU QD 2.850 . 2.850 2.190 2.031 2.432 . 0 0 "[ . 1 . 2]" 1
97 1 8 LEU HA 1 8 LEU HG 4.060 . 4.060 2.837 2.752 2.925 . 0 0 "[ . 1 . 2]" 1
98 1 8 LEU HA 1 10 LYS H 4.660 . 4.660 4.185 3.565 4.808 0.148 2 0 "[ . 1 . 2]" 1
99 1 8 LEU HA 1 11 GLY H 4.030 . 4.030 3.839 3.608 4.159 0.129 19 0 "[ . 1 . 2]" 1
100 1 8 LEU HB2 1 9 LEU H 3.880 . 3.880 3.230 2.699 3.682 . 0 0 "[ . 1 . 2]" 1
101 1 8 LEU HB3 1 8 LEU QD 3.210 . 3.210 2.126 2.089 2.161 . 0 0 "[ . 1 . 2]" 1
102 1 8 LEU HB3 1 9 LEU H 4.040 . 4.040 4.041 3.585 4.343 0.303 18 0 "[ . 1 . 2]" 1
103 1 9 LEU H 1 9 LEU QB 3.120 . 3.120 2.242 2.041 2.430 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU H 1 9 LEU QD 4.030 . 4.030 3.708 3.454 3.873 . 0 0 "[ . 1 . 2]" 1
105 1 9 LEU H 1 10 LYS H 3.490 . 3.490 2.295 1.974 2.732 . 0 0 "[ . 1 . 2]" 1
106 1 9 LEU H 1 12 LEU MD1 4.860 . 4.860 4.608 4.489 4.756 . 0 0 "[ . 1 . 2]" 1
107 1 9 LEU HA 1 9 LEU QD 3.160 . 3.160 2.125 1.913 2.275 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU HA 1 9 LEU HG 3.620 . 3.620 2.899 2.517 3.327 . 0 0 "[ . 1 . 2]" 1
109 1 9 LEU HA 1 12 LEU H 3.870 . 3.870 4.733 4.460 5.249 1.379 20 20 [**-****************+] 1
110 1 9 LEU HA 1 12 LEU MD1 3.830 . 3.830 2.316 2.144 2.484 . 0 0 "[ . 1 . 2]" 1
111 1 9 LEU QB 1 10 LYS H 3.210 . 3.210 2.942 2.447 3.771 0.561 18 1 "[ . 1 . + 2]" 1
112 1 9 LEU QD 1 10 LYS H 4.660 . 4.660 4.195 3.829 4.558 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU QD 1 11 GLY H 5.490 . 5.490 4.908 4.320 5.599 0.109 18 0 "[ . 1 . 2]" 1
114 1 9 LEU QD 1 12 LEU H 5.070 . 5.070 5.331 4.751 5.713 0.643 18 5 "[ . *1* .* +-2]" 1
115 1 9 LEU HG 1 10 LYS H 4.640 . 4.640 4.281 3.624 4.871 0.231 9 0 "[ . 1 . 2]" 1
116 1 9 LEU HG 1 10 LYS HA 4.670 . 4.670 4.314 3.684 4.948 0.278 18 0 "[ . 1 . 2]" 1
117 1 10 LYS H 1 10 LYS QB 3.320 . 3.320 2.293 2.205 2.536 . 0 0 "[ . 1 . 2]" 1
118 1 10 LYS H 1 10 LYS HD2 4.170 . 4.170 3.855 3.462 4.530 0.360 18 0 "[ . 1 . 2]" 1
119 1 10 LYS H 1 10 LYS QE 5.500 . 5.500 4.608 4.141 5.337 . 0 0 "[ . 1 . 2]" 1
120 1 10 LYS H 1 10 LYS QG 4.110 . 4.110 2.605 2.336 3.174 . 0 0 "[ . 1 . 2]" 1
121 1 10 LYS H 1 11 GLY H 3.490 . 3.490 2.403 1.834 2.708 . 0 0 "[ . 1 . 2]" 1
122 1 10 LYS H 1 12 LEU MD1 5.150 . 5.150 4.833 3.903 5.024 . 0 0 "[ . 1 . 2]" 1
123 1 10 LYS HA 1 10 LYS HD2 4.800 . 4.800 4.638 4.566 4.708 . 0 0 "[ . 1 . 2]" 1
124 1 10 LYS HA 1 10 LYS QE 5.290 . 5.290 4.748 4.556 4.992 . 0 0 "[ . 1 . 2]" 1
125 1 10 LYS HA 1 10 LYS QG 3.840 . 3.840 2.432 2.262 2.517 . 0 0 "[ . 1 . 2]" 1
126 1 11 GLY H 1 12 LEU H 3.350 . 3.350 2.685 2.378 2.948 . 0 0 "[ . 1 . 2]" 1
127 1 11 GLY H 1 12 LEU MD1 5.410 . 5.410 4.176 3.993 4.352 . 0 0 "[ . 1 . 2]" 1
128 1 11 GLY H 1 12 LEU MD2 4.990 . 4.990 4.413 4.031 4.697 . 0 0 "[ . 1 . 2]" 1
129 1 11 GLY H 1 12 LEU HG 4.930 . 4.930 3.073 2.714 3.326 . 0 0 "[ . 1 . 2]" 1
130 1 12 LEU H 1 12 LEU QB 2.990 . 2.990 2.399 2.263 3.264 0.274 18 0 "[ . 1 . 2]" 1
131 1 12 LEU H 1 12 LEU MD1 3.910 . 3.910 3.920 2.973 4.109 0.199 9 0 "[ . 1 . 2]" 1
132 1 12 LEU H 1 12 LEU MD2 4.060 . 4.060 3.967 3.774 4.192 0.132 18 0 "[ . 1 . 2]" 1
133 1 12 LEU H 1 12 LEU HG 3.650 . 3.650 3.048 2.635 3.306 . 0 0 "[ . 1 . 2]" 1
134 1 12 LEU QB 1 12 LEU MD1 3.100 . 3.100 2.110 2.063 2.399 . 0 0 "[ . 1 . 2]" 1
135 1 12 LEU QB 1 12 LEU MD2 3.010 . 3.010 2.381 2.053 2.477 . 0 0 "[ . 1 . 2]" 1
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