NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644987 |
6oc4   |
30595 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6oc4
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 199
_Distance_constraint_stats_list.Viol_count 1325
_Distance_constraint_stats_list.Viol_total 8116.704
_Distance_constraint_stats_list.Viol_max 1.128
_Distance_constraint_stats_list.Viol_rms 0.1932
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1020
_Distance_constraint_stats_list.Viol_average_violations_only 0.3063
_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 MET 9.863 0.600 14 1 "[ . 1 +. 2]"
1 3 ARG 60.837 0.810 11 17 "[******** *+** -** **]"
1 4 LEU 85.382 0.968 17 20 [**************-*+***]
1 5 SER 42.249 0.968 17 20 [*-**************+***]
1 7 PHE 63.952 0.830 9 20 [********+*****-*****]
1 8 PHE 156.331 1.128 18 20 [***-*************+**]
1 9 ARG 60.419 0.760 3 20 [**+-****************]
1 10 GLN 42.305 0.690 18 16 "[ ******* 1*** ***+*-]"
1 11 PHE 68.274 1.128 18 20 [**************-**+**]
1 12 ILE 69.412 0.690 18 20 [-****************+**]
1 13 LEU 73.406 0.542 9 12 "[*** .* *+* ***-* 2]"
1 14 GLN 7.610 0.494 18 0 "[ . 1 . 2]"
1 15 ARG 2.411 0.290 19 0 "[ . 1 . 2]"
1 16 LYS 11.255 0.372 20 0 "[ . 1 . 2]"
1 17 LYS 10.846 0.372 20 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 MET HA 1 2 MET QB 2.500 . 3.400 2.422 2.223 2.494 . 0 0 "[ . 1 . 2]" 1
2 1 2 MET HA 1 2 MET QG 2.900 . 3.900 2.494 2.381 3.360 . 0 0 "[ . 1 . 2]" 1
3 1 2 MET HA 1 3 ARG H 2.500 . 3.400 2.325 2.292 2.436 . 0 0 "[ . 1 . 2]" 1
4 1 2 MET HA 1 3 ARG QB 3.000 . 4.200 4.429 4.229 4.646 0.446 11 0 "[ . 1 . 2]" 1
5 1 2 MET QB 1 3 ARG H 2.600 . 3.500 2.616 2.296 2.736 . 0 0 "[ . 1 . 2]" 1
6 1 2 MET QB 1 3 ARG HA 2.800 . 3.800 3.869 3.743 4.106 0.306 18 0 "[ . 1 . 2]" 1
7 1 2 MET QB 1 4 LEU H 2.700 . 3.600 3.759 3.113 4.200 0.600 14 1 "[ . 1 +. 2]" 1
8 1 2 MET QB 1 4 LEU QD 2.800 . 3.600 2.610 2.023 3.013 . 0 0 "[ . 1 . 2]" 1
9 1 2 MET QG 1 3 ARG H 3.000 . 4.000 3.887 3.531 4.166 0.166 1 0 "[ . 1 . 2]" 1
10 1 3 ARG H 1 3 ARG HA 2.700 . 3.600 2.883 2.844 2.899 . 0 0 "[ . 1 . 2]" 1
11 1 3 ARG H 1 3 ARG QB 2.700 . 3.500 3.189 2.934 3.316 . 0 0 "[ . 1 . 2]" 1
12 1 3 ARG H 1 3 ARG QG 2.800 . 3.800 2.223 1.886 3.444 0.014 10 0 "[ . 1 . 2]" 1
13 1 3 ARG H 1 4 LEU HG 2.700 . 3.600 3.035 2.660 3.670 0.070 16 0 "[ . 1 . 2]" 1
14 1 3 ARG HA 1 3 ARG QB 2.500 . 3.400 2.198 2.182 2.211 . 0 0 "[ . 1 . 2]" 1
15 1 3 ARG HA 1 3 ARG QD 2.500 . 3.400 3.897 3.462 4.026 0.626 5 14 "[****+*** * -* * **]" 1
16 1 3 ARG HA 1 3 ARG QG 2.600 . 3.500 3.349 3.192 3.510 0.010 17 0 "[ . 1 . 2]" 1
17 1 3 ARG HA 1 4 LEU H 2.500 . 3.400 2.187 2.052 3.536 0.136 18 0 "[ . 1 . 2]" 1
18 1 3 ARG HA 1 4 LEU QB 2.500 . 4.000 4.434 4.232 4.560 0.560 8 9 "[*** .* + 1 ** * - 2]" 1
19 1 3 ARG HA 1 4 LEU QD 3.100 . 4.200 4.134 3.747 4.394 0.194 20 0 "[ . 1 . 2]" 1
20 1 3 ARG HA 1 4 LEU HG 2.600 . 3.500 3.827 3.606 3.937 0.437 20 0 "[ . 1 . 2]" 1
21 1 3 ARG HA 1 5 SER H 3.000 . 4.000 3.647 3.023 4.164 0.164 11 0 "[ . 1 . 2]" 1
22 1 3 ARG QB 1 3 ARG QD 2.300 . 3.100 2.090 1.937 2.496 . 0 0 "[ . 1 . 2]" 1
23 1 3 ARG QB 1 4 LEU H 2.800 . 3.500 3.587 2.451 3.876 0.376 17 0 "[ . 1 . 2]" 1
24 1 3 ARG QB 1 4 LEU HA 2.400 . 4.000 4.298 4.137 4.557 0.557 16 1 "[ . 1 .+ 2]" 1
25 1 3 ARG QD 1 3 ARG HE 2.900 . 3.900 2.527 2.297 2.565 . 0 0 "[ . 1 . 2]" 1
26 1 3 ARG QD 1 3 ARG QG 2.300 . 3.100 2.093 2.067 2.149 . 0 0 "[ . 1 . 2]" 1
27 1 3 ARG QD 1 4 LEU QD 2.800 . 3.400 3.516 3.334 3.573 0.173 19 0 "[ . 1 . 2]" 1
28 1 3 ARG QD 1 7 PHE HZ 2.600 . 3.500 3.765 3.660 3.841 0.341 2 0 "[ . 1 . 2]" 1
29 1 3 ARG QG 1 4 LEU H 2.900 . 3.900 4.264 1.561 4.710 0.810 11 14 "[******* *+** - **]" 1
30 1 4 LEU H 1 4 LEU HA 2.600 . 3.500 2.882 2.164 2.934 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU H 1 4 LEU QB 2.500 . 3.400 2.603 2.365 3.406 0.006 18 0 "[ . 1 . 2]" 1
32 1 4 LEU H 1 4 LEU QD 2.900 . 3.900 3.223 2.003 3.565 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU H 1 4 LEU HG 2.600 . 3.500 2.614 2.141 3.018 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU H 1 5 SER H 2.800 . 3.800 2.574 1.787 3.536 0.013 12 0 "[ . 1 . 2]" 1
35 1 4 LEU HA 1 4 LEU QB 2.400 . 3.200 2.385 2.321 2.459 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU HA 1 4 LEU QD 2.500 . 3.400 1.916 1.870 2.034 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU HA 1 4 LEU HG 2.500 . 3.400 2.932 2.551 3.303 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU HA 1 7 PHE H 2.300 . 3.100 2.832 2.490 3.116 0.016 20 0 "[ . 1 . 2]" 1
39 1 4 LEU HA 1 7 PHE QB 2.500 . 3.400 2.539 2.037 2.754 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU HA 1 7 PHE QD 2.800 . 3.800 2.505 2.148 3.119 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU HA 1 7 PHE HZ 3.100 . 4.500 5.118 4.975 5.265 0.765 9 16 "[* **** +*****- ****]" 1
42 1 4 LEU QB 1 4 LEU QD 2.500 . 3.200 1.991 1.936 2.022 . 0 0 "[ . 1 . 2]" 1
43 1 4 LEU QB 1 5 SER H 2.800 . 3.800 3.512 3.050 3.857 0.057 14 0 "[ . 1 . 2]" 1
44 1 4 LEU QB 1 8 PHE QE 3.200 2.100 4.300 2.008 1.955 2.249 0.145 19 0 "[ . 1 . 2]" 1
45 1 4 LEU QD 1 5 SER H 3.000 . 4.000 3.898 3.674 4.139 0.139 16 0 "[ . 1 . 2]" 1
46 1 4 LEU QD 1 7 PHE QB 2.900 . 3.400 3.085 2.689 3.479 0.079 15 0 "[ . 1 . 2]" 1
47 1 4 LEU QD 1 7 PHE QD 3.100 . 4.200 2.805 2.556 3.123 . 0 0 "[ . 1 . 2]" 1
48 1 4 LEU QD 1 7 PHE HZ 3.300 2.100 4.200 3.324 2.954 3.735 . 0 0 "[ . 1 . 2]" 1
49 1 4 LEU QD 1 8 PHE QE 2.800 . 3.800 3.185 2.895 3.334 . 0 0 "[ . 1 . 2]" 1
50 1 4 LEU HG 1 5 SER H 2.700 . 3.600 4.272 3.959 4.568 0.968 17 11 "[ ** * *** *. +-**]" 1
51 1 4 LEU HG 1 8 PHE QE 2.900 . 3.900 4.590 4.451 4.770 0.870 18 20 [*-***************+**] 1
52 1 5 SER H 1 5 SER HA 2.500 . 3.400 2.863 2.839 2.890 . 0 0 "[ . 1 . 2]" 1
53 1 5 SER H 1 5 SER QB 2.700 . 3.500 3.042 2.663 3.348 . 0 0 "[ . 1 . 2]" 1
54 1 5 SER H 1 8 PHE H 2.800 . 3.800 4.076 3.635 4.473 0.673 2 9 "[-+* .* * 1 ** ** 2]" 1
55 1 5 SER HA 1 5 SER QB 2.500 . 3.400 2.197 2.189 2.202 . 0 0 "[ . 1 . 2]" 1
56 1 5 SER HA 1 7 PHE H 2.600 . 3.500 3.684 3.631 3.727 0.227 2 0 "[ . 1 . 2]" 1
57 1 5 SER HA 1 8 PHE H 2.700 . 3.600 2.797 2.618 2.958 . 0 0 "[ . 1 . 2]" 1
58 1 5 SER QB 1 8 PHE H 2.900 . 3.900 4.176 4.121 4.230 0.330 14 0 "[ . 1 . 2]" 1
59 1 5 SER QB 1 8 PHE QE 2.900 . 3.900 4.450 4.349 4.634 0.734 18 13 "[ - ** * *** *.**+**]" 1
60 1 7 PHE H 1 7 PHE HA 2.600 . 3.500 2.762 2.735 2.790 . 0 0 "[ . 1 . 2]" 1
61 1 7 PHE H 1 7 PHE QB 2.500 . 3.400 2.088 2.005 2.188 . 0 0 "[ . 1 . 2]" 1
62 1 7 PHE H 1 7 PHE QD 2.800 . 3.800 1.970 1.824 2.139 . 0 0 "[ . 1 . 2]" 1
63 1 7 PHE H 1 8 PHE H 2.600 . 3.500 2.537 2.437 2.633 . 0 0 "[ . 1 . 2]" 1
64 1 7 PHE H 1 8 PHE QE 3.100 . 4.200 4.213 4.098 4.330 0.130 2 0 "[ . 1 . 2]" 1
65 1 7 PHE H 1 11 PHE QE 3.100 . 4.200 4.115 3.944 4.265 0.065 1 0 "[ . 1 . 2]" 1
66 1 7 PHE HA 1 7 PHE QB 2.500 . 3.400 2.466 2.450 2.484 . 0 0 "[ . 1 . 2]" 1
67 1 7 PHE HA 1 7 PHE QD 2.600 . 3.500 2.952 2.670 3.029 . 0 0 "[ . 1 . 2]" 1
68 1 7 PHE HA 1 10 GLN QB 3.000 . 4.000 3.587 3.177 4.365 0.365 9 0 "[ . 1 . 2]" 1
69 1 7 PHE HA 1 11 PHE QD 2.900 . 3.900 1.773 1.717 1.851 0.183 18 0 "[ . 1 . 2]" 1
70 1 7 PHE QB 1 7 PHE QD 2.500 . 3.400 2.139 2.117 2.170 . 0 0 "[ . 1 . 2]" 1
71 1 7 PHE QB 1 8 PHE HA 2.500 . 3.400 3.760 3.718 3.800 0.400 16 0 "[ . 1 . 2]" 1
72 1 7 PHE QB 1 8 PHE QE 2.500 . 3.400 2.058 1.935 2.170 . 0 0 "[ . 1 . 2]" 1
73 1 7 PHE QB 1 9 ARG H 2.700 . 3.600 4.003 3.938 4.103 0.503 18 1 "[ . 1 . + 2]" 1
74 1 7 PHE QD 1 8 PHE QE 2.800 . 3.800 3.341 3.261 3.400 . 0 0 "[ . 1 . 2]" 1
75 1 7 PHE HZ 1 11 PHE QB 2.800 . 3.800 4.457 4.376 4.630 0.830 9 20 [********+*****-*****] 1
76 1 7 PHE HZ 1 12 ILE MD 2.900 . 4.600 5.042 4.828 5.111 0.511 15 2 "[- . 1 + 2]" 1
77 1 8 PHE H 1 8 PHE HA 2.400 . 3.200 2.924 2.913 2.935 . 0 0 "[ . 1 . 2]" 1
78 1 8 PHE HA 1 12 ILE HB 2.500 . 3.600 4.106 4.050 4.168 0.568 16 11 "[*** . * 1*** *+ * -]" 1
79 1 8 PHE HA 1 12 ILE MD 2.800 . 3.800 3.651 3.616 3.694 . 0 0 "[ . 1 . 2]" 1
80 1 8 PHE HA 1 12 ILE MD 2.200 . 3.200 3.581 3.552 3.612 0.412 9 0 "[ . 1 . 2]" 1
81 1 8 PHE QB 1 9 ARG H 2.900 . 3.900 3.868 3.838 3.896 . 0 0 "[ . 1 . 2]" 1
82 1 8 PHE QB 1 13 LEU QD 3.000 . 4.000 2.990 2.860 3.127 . 0 0 "[ . 1 . 2]" 1
83 1 8 PHE QE 1 9 ARG H 2.900 . 4.500 5.006 4.979 5.040 0.540 18 12 "[* -* * *** *. *+**]" 1
84 1 8 PHE QE 1 9 ARG QG 3.200 2.100 5.200 5.900 5.817 5.960 0.760 3 20 [**+*******-*********] 1
85 1 8 PHE QE 1 10 GLN H 2.900 . 4.900 5.323 5.241 5.432 0.532 18 2 "[ . 1 . + -]" 1
86 1 8 PHE QE 1 11 PHE QB 2.700 . 3.600 4.420 4.320 4.474 0.874 7 20 [******+**********-**] 1
87 1 8 PHE QE 1 11 PHE QD 2.500 . 4.400 5.148 5.039 5.528 1.128 18 20 [-****************+**] 1
88 1 8 PHE QE 1 12 ILE H 2.900 . 3.900 4.131 4.030 4.206 0.306 15 0 "[ . 1 . 2]" 1
89 1 8 PHE QE 1 12 ILE HB 2.800 . 3.800 3.338 3.033 3.619 . 0 0 "[ . 1 . 2]" 1
90 1 8 PHE QE 1 12 ILE MD 2.900 . 3.900 1.768 1.752 1.801 0.148 1 0 "[ . 1 . 2]" 1
91 1 8 PHE QE 1 12 ILE MD 2.600 . 3.500 1.766 1.751 1.797 . 0 0 "[ . 1 . 2]" 1
92 1 8 PHE QE 1 12 ILE QG 2.900 . 3.900 2.758 2.536 3.078 . 0 0 "[ . 1 . 2]" 1
93 1 8 PHE QE 1 13 LEU QB 2.800 . 5.900 6.316 6.210 6.397 0.497 13 0 "[ . 1 . 2]" 1
94 1 8 PHE QE 1 13 LEU QD 2.600 . 3.500 3.685 3.573 3.805 0.305 12 0 "[ . 1 . 2]" 1
95 1 8 PHE QE 1 13 LEU HG 2.600 . 4.200 4.647 4.532 4.735 0.535 13 9 "[*** .* * 1 *+ -* 2]" 1
96 1 9 ARG H 1 9 ARG HA 2.600 . 3.500 2.828 2.816 2.837 . 0 0 "[ . 1 . 2]" 1
97 1 9 ARG H 1 9 ARG QB 2.500 . 3.400 3.192 3.009 3.394 . 0 0 "[ . 1 . 2]" 1
98 1 9 ARG H 1 9 ARG QD 2.700 . 3.600 3.970 3.877 4.103 0.503 1 1 "[+ . 1 . 2]" 1
99 1 9 ARG H 1 9 ARG QG 2.900 . 3.900 2.472 2.309 2.605 . 0 0 "[ . 1 . 2]" 1
100 1 9 ARG HA 1 9 ARG QB 2.500 . 3.400 2.208 2.197 2.232 . 0 0 "[ . 1 . 2]" 1
101 1 9 ARG HA 1 9 ARG QD 2.600 . 3.500 4.001 3.655 4.224 0.724 8 12 "[-** .* + * **** * *2]" 1
102 1 9 ARG HA 1 9 ARG QG 2.600 . 3.500 3.015 2.774 3.301 . 0 0 "[ . 1 . 2]" 1
103 1 9 ARG HA 1 13 LEU QB 2.500 . 3.400 3.443 3.279 3.513 0.113 18 0 "[ . 1 . 2]" 1
104 1 9 ARG HA 1 13 LEU QD 2.600 . 3.500 1.887 1.850 1.950 . 0 0 "[ . 1 . 2]" 1
105 1 9 ARG HA 1 13 LEU HG 2.500 . 3.400 3.838 3.795 3.887 0.487 18 0 "[ . 1 . 2]" 1
106 1 9 ARG QB 1 9 ARG QD 2.500 . 3.400 2.100 1.893 2.400 . 0 0 "[ . 1 . 2]" 1
107 1 9 ARG QB 1 9 ARG HE 2.800 . 3.500 2.890 2.464 3.300 . 0 0 "[ . 1 . 2]" 1
108 1 9 ARG QB 1 10 GLN H 5.000 3.200 6.800 3.407 3.191 3.649 0.009 14 0 "[ . 1 . 2]" 1
109 1 9 ARG QB 1 13 LEU QD 2.700 . 3.600 3.651 3.593 3.731 0.131 10 0 "[ . 1 . 2]" 1
110 1 9 ARG HE 1 9 ARG QG 2.800 . 3.800 2.331 2.058 2.971 . 0 0 "[ . 1 . 2]" 1
111 1 10 GLN H 1 10 GLN HA 2.800 . 3.800 2.883 2.857 2.895 . 0 0 "[ . 1 . 2]" 1
112 1 10 GLN H 1 10 GLN QB 2.800 . 3.600 3.210 3.170 3.258 . 0 0 "[ . 1 . 2]" 1
113 1 10 GLN H 1 10 GLN QG 2.600 . 3.500 2.669 2.560 2.913 . 0 0 "[ . 1 . 2]" 1
114 1 10 GLN H 1 11 PHE QE 2.800 . 4.800 5.114 5.055 5.178 0.378 11 0 "[ . 1 . 2]" 1
115 1 10 GLN HA 1 10 GLN QB 2.500 . 3.400 2.240 2.205 2.257 . 0 0 "[ . 1 . 2]" 1
116 1 10 GLN HA 1 10 GLN QG 2.600 . 3.000 3.098 3.003 3.410 0.410 14 0 "[ . 1 . 2]" 1
117 1 10 GLN HA 1 11 PHE H 2.800 . 3.800 2.659 2.575 2.854 . 0 0 "[ . 1 . 2]" 1
118 1 10 GLN HA 1 13 LEU QB 2.900 . 3.900 3.042 2.896 3.143 . 0 0 "[ . 1 . 2]" 1
119 1 10 GLN HA 1 13 LEU QD 3.000 . 3.900 4.137 4.053 4.230 0.330 15 0 "[ . 1 . 2]" 1
120 1 10 GLN HA 1 13 LEU HG 2.800 . 3.800 3.994 3.903 4.062 0.262 15 0 "[ . 1 . 2]" 1
121 1 10 GLN QB 1 11 PHE H 2.600 . 3.500 2.205 2.033 2.304 . 0 0 "[ . 1 . 2]" 1
122 1 10 GLN QB 1 11 PHE HA 2.600 . 3.500 3.774 3.658 3.957 0.457 9 0 "[ . 1 . 2]" 1
123 1 10 GLN QG 1 12 ILE MD 3.000 . 4.900 5.298 4.293 5.590 0.690 18 16 "[ ******* 1*** ***+-*]" 1
124 1 11 PHE H 1 11 PHE HA 2.700 . 3.600 2.192 2.185 2.198 . 0 0 "[ . 1 . 2]" 1
125 1 11 PHE H 1 11 PHE QB 2.700 . 3.600 3.498 3.430 3.552 . 0 0 "[ . 1 . 2]" 1
126 1 11 PHE H 1 11 PHE QD 2.900 . 3.900 3.630 3.431 3.783 . 0 0 "[ . 1 . 2]" 1
127 1 11 PHE H 1 12 ILE H 2.800 . 3.800 3.903 3.810 4.027 0.227 18 0 "[ . 1 . 2]" 1
128 1 11 PHE HA 1 11 PHE QB 2.500 . 3.400 2.428 2.421 2.454 . 0 0 "[ . 1 . 2]" 1
129 1 11 PHE HA 1 11 PHE QD 2.700 . 3.600 2.383 2.220 2.826 . 0 0 "[ . 1 . 2]" 1
130 1 11 PHE HA 1 11 PHE QE 3.000 . 4.000 4.340 4.287 4.453 0.453 18 0 "[ . 1 . 2]" 1
131 1 11 PHE HA 1 12 ILE H 2.700 . 3.600 3.615 3.555 3.632 0.032 14 0 "[ . 1 . 2]" 1
132 1 11 PHE QB 1 11 PHE QD 2.600 . 3.500 2.061 2.049 2.081 . 0 0 "[ . 1 . 2]" 1
133 1 11 PHE QB 1 12 ILE H 2.800 . 3.800 2.034 1.878 2.132 . 0 0 "[ . 1 . 2]" 1
134 1 11 PHE QD 1 12 ILE H 2.900 . 3.900 3.817 3.752 3.915 0.015 20 0 "[ . 1 . 2]" 1
135 1 11 PHE QD 1 12 ILE MD 3.000 . 4.100 3.250 3.118 3.448 . 0 0 "[ . 1 . 2]" 1
136 1 11 PHE QD 1 12 ILE MD 3.200 2.100 4.300 3.240 3.110 3.432 . 0 0 "[ . 1 . 2]" 1
137 1 12 ILE H 1 12 ILE HA 2.700 . 3.600 2.871 2.845 2.892 . 0 0 "[ . 1 . 2]" 1
138 1 12 ILE H 1 12 ILE HB 2.600 . 3.500 2.505 2.466 2.520 . 0 0 "[ . 1 . 2]" 1
139 1 12 ILE H 1 12 ILE MD 2.900 . 3.900 1.761 1.729 1.811 0.171 18 0 "[ . 1 . 2]" 1
140 1 12 ILE H 1 12 ILE MD 2.700 . 3.600 1.758 1.726 1.807 0.074 18 0 "[ . 1 . 2]" 1
141 1 12 ILE H 1 12 ILE QG 2.700 . 3.600 2.948 2.878 3.009 . 0 0 "[ . 1 . 2]" 1
142 1 12 ILE H 1 13 LEU H 2.700 . 3.600 2.300 2.236 2.372 . 0 0 "[ . 1 . 2]" 1
143 1 12 ILE H 1 13 LEU HG 2.700 . 3.600 3.628 3.570 3.706 0.106 9 0 "[ . 1 . 2]" 1
144 1 12 ILE HA 1 12 ILE HB 2.500 . 3.400 3.064 3.061 3.067 . 0 0 "[ . 1 . 2]" 1
145 1 12 ILE HA 1 12 ILE MD 2.500 . 3.400 3.305 3.281 3.322 . 0 0 "[ . 1 . 2]" 1
146 1 12 ILE HA 1 12 ILE MD 2.500 . 3.400 2.200 2.185 2.215 . 0 0 "[ . 1 . 2]" 1
147 1 12 ILE HA 1 12 ILE QG 2.600 . 3.500 2.428 2.403 2.455 . 0 0 "[ . 1 . 2]" 1
148 1 12 ILE HA 1 13 LEU H 2.600 . 3.500 3.557 3.546 3.568 0.068 14 0 "[ . 1 . 2]" 1
149 1 12 ILE HB 1 12 ILE MD 2.600 . 3.500 2.118 2.092 2.142 . 0 0 "[ . 1 . 2]" 1
150 1 12 ILE HB 1 12 ILE MD 2.400 . 3.200 1.909 1.897 1.920 . 0 0 "[ . 1 . 2]" 1
151 1 12 ILE HB 1 12 ILE QG 2.600 . 3.500 2.495 2.488 2.505 . 0 0 "[ . 1 . 2]" 1
152 1 12 ILE HB 1 13 LEU H 2.800 . 3.800 2.398 2.285 2.452 . 0 0 "[ . 1 . 2]" 1
153 1 12 ILE HB 1 13 LEU HA 2.600 . 3.500 3.877 3.843 3.915 0.415 18 0 "[ . 1 . 2]" 1
154 1 12 ILE HB 1 13 LEU QD 2.800 . 3.800 1.935 1.893 1.962 . 0 0 "[ . 1 . 2]" 1
155 1 12 ILE MD 1 13 LEU H 2.700 . 3.600 2.921 2.854 2.969 . 0 0 "[ . 1 . 2]" 1
156 1 12 ILE MD 1 13 LEU HA 3.100 . 4.200 3.285 3.235 3.332 . 0 0 "[ . 1 . 2]" 1
157 1 12 ILE MD 1 13 LEU QB 4.100 2.700 5.500 4.146 4.113 4.187 . 0 0 "[ . 1 . 2]" 1
158 1 12 ILE MD 1 13 LEU HG 2.600 . 3.500 3.287 3.243 3.346 . 0 0 "[ . 1 . 2]" 1
159 1 12 ILE MD 1 13 LEU HG 2.200 . 3.000 3.448 3.382 3.542 0.542 9 3 "[ . +- *. 2]" 1
160 1 12 ILE QG 1 13 LEU QD 2.700 . 3.600 3.647 3.597 3.702 0.102 14 0 "[ . 1 . 2]" 1
161 1 13 LEU H 1 13 LEU HA 2.500 . 3.400 2.837 2.826 2.846 . 0 0 "[ . 1 . 2]" 1
162 1 13 LEU H 1 13 LEU QB 2.600 . 3.500 2.653 2.630 2.676 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU H 1 13 LEU QD 2.800 . 3.800 2.599 2.538 2.651 . 0 0 "[ . 1 . 2]" 1
164 1 13 LEU H 1 13 LEU HG 2.600 . 3.500 2.018 1.967 2.059 . 0 0 "[ . 1 . 2]" 1
165 1 13 LEU HA 1 13 LEU QB 2.500 . 3.400 2.287 2.274 2.297 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU HA 1 13 LEU QD 2.600 . 3.200 2.004 1.973 2.050 . 0 0 "[ . 1 . 2]" 1
167 1 13 LEU HA 1 13 LEU HG 2.400 . 3.200 3.509 3.471 3.551 0.351 12 0 "[ . 1 . 2]" 1
168 1 13 LEU QB 1 13 LEU QD 2.300 . 3.100 1.995 1.987 2.002 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU HG 1 14 GLN H 2.400 . 3.200 3.580 3.471 3.694 0.494 18 0 "[ . 1 . 2]" 1
170 1 14 GLN H 1 14 GLN HA 2.700 . 3.600 2.732 2.223 2.952 . 0 0 "[ . 1 . 2]" 1
171 1 14 GLN HA 1 14 GLN QB 2.500 . 3.400 2.404 2.219 2.479 . 0 0 "[ . 1 . 2]" 1
172 1 14 GLN HA 1 14 GLN QG 2.800 . 3.500 2.626 2.370 3.391 . 0 0 "[ . 1 . 2]" 1
173 1 15 ARG H 1 15 ARG HA 2.400 . 3.200 2.893 2.840 2.942 . 0 0 "[ . 1 . 2]" 1
174 1 15 ARG H 1 15 ARG QB 2.600 . 3.400 2.767 2.373 3.282 . 0 0 "[ . 1 . 2]" 1
175 1 15 ARG H 1 15 ARG QG 2.400 . 3.200 2.637 2.293 3.212 0.012 9 0 "[ . 1 . 2]" 1
176 1 15 ARG HA 1 15 ARG QB 2.400 . 3.200 2.356 2.219 2.464 . 0 0 "[ . 1 . 2]" 1
177 1 15 ARG HA 1 15 ARG QG 2.500 . 3.400 2.830 2.412 3.375 . 0 0 "[ . 1 . 2]" 1
178 1 15 ARG HA 1 16 LYS QD 2.400 . 3.200 3.281 3.222 3.449 0.249 1 0 "[ . 1 . 2]" 1
179 1 15 ARG QB 1 15 ARG QD 2.500 . 3.400 2.290 2.198 2.382 . 0 0 "[ . 1 . 2]" 1
180 1 15 ARG QB 1 16 LYS H 2.800 . 3.800 2.706 2.413 3.091 . 0 0 "[ . 1 . 2]" 1
181 1 15 ARG QB 1 17 LYS H 2.600 . 3.500 2.393 2.136 3.790 0.290 19 0 "[ . 1 . 2]" 1
182 1 15 ARG QD 1 15 ARG HE 2.600 . 3.500 2.465 2.275 2.563 . 0 0 "[ . 1 . 2]" 1
183 1 15 ARG QD 1 17 LYS QB 2.500 . 3.400 3.077 2.039 3.493 0.093 12 0 "[ . 1 . 2]" 1
184 1 15 ARG HE 1 15 ARG QG 2.900 . 3.900 2.548 2.232 3.231 . 0 0 "[ . 1 . 2]" 1
185 1 16 LYS H 1 16 LYS HA 2.400 . 3.200 2.887 2.828 2.929 . 0 0 "[ . 1 . 2]" 1
186 1 16 LYS H 1 16 LYS QB 2.600 . 3.400 2.714 2.398 2.933 . 0 0 "[ . 1 . 2]" 1
187 1 16 LYS H 1 16 LYS QD 2.800 . 3.800 2.118 1.787 3.094 0.013 13 0 "[ . 1 . 2]" 1
188 1 16 LYS H 1 16 LYS QG 2.800 . 3.800 2.417 1.941 3.872 0.072 19 0 "[ . 1 . 2]" 1
189 1 16 LYS H 1 17 LYS H 2.800 . 3.800 2.296 2.064 3.586 . 0 0 "[ . 1 . 2]" 1
190 1 16 LYS HA 1 16 LYS QB 2.400 . 3.200 2.290 2.201 2.519 . 0 0 "[ . 1 . 2]" 1
191 1 16 LYS HA 1 16 LYS QG 2.500 . 3.400 2.897 2.077 3.449 0.049 5 0 "[ . 1 . 2]" 1
192 1 16 LYS HA 1 17 LYS H 2.400 . 3.200 3.344 2.289 3.523 0.323 10 0 "[ . 1 . 2]" 1
193 1 16 LYS QB 1 17 LYS H 2.600 . 3.500 3.386 2.518 3.867 0.367 19 0 "[ . 1 . 2]" 1
194 1 16 LYS QG 1 17 LYS H 2.900 . 3.900 3.668 2.297 4.272 0.372 20 0 "[ . 1 . 2]" 1
195 1 17 LYS H 1 17 LYS HA 2.600 . 3.500 2.864 2.824 2.905 . 0 0 "[ . 1 . 2]" 1
196 1 17 LYS H 1 17 LYS QB 2.700 . 3.500 2.362 2.225 2.575 . 0 0 "[ . 1 . 2]" 1
197 1 17 LYS H 1 17 LYS QG 2.900 . 3.900 3.208 2.108 3.996 0.096 18 0 "[ . 1 . 2]" 1
198 1 17 LYS HA 1 17 LYS QB 2.600 . 3.500 2.452 2.373 2.528 . 0 0 "[ . 1 . 2]" 1
199 1 17 LYS HA 1 17 LYS QG 2.600 . 3.500 2.502 2.281 3.082 . 0 0 "[ . 1 . 2]" 1
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