NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393133 |
1qfa   |
4398 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qfa
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 293
_Distance_constraint_stats_list.Viol_count 563
_Distance_constraint_stats_list.Viol_total 657.456
_Distance_constraint_stats_list.Viol_max 0.913
_Distance_constraint_stats_list.Viol_rms 0.0397
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0584
_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 LEU 2.706 0.110 14 0 "[ . 1 . 2]"
1 3 ARG 14.677 0.913 19 12 "[ .****-****. *+*]"
1 4 HIS 2.200 0.108 8 0 "[ . 1 . 2]"
1 5 TYR 1.548 0.115 19 0 "[ . 1 . 2]"
1 6 LEU 3.671 0.100 10 0 "[ . 1 . 2]"
1 7 ASN 7.360 0.115 19 0 "[ . 1 . 2]"
1 8 LEU 1.963 0.084 16 0 "[ . 1 . 2]"
1 9 LEU 3.389 0.107 20 0 "[ . 1 . 2]"
1 10 THR 2.144 0.084 19 0 "[ . 1 . 2]"
1 11 ARG 1.796 0.082 17 0 "[ . 1 . 2]"
1 12 GLN 1.306 0.082 17 0 "[ . 1 . 2]"
1 13 ARG 1.543 0.107 20 0 "[ . 1 . 2]"
1 14 TYR 2.591 0.118 6 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 LEU H 1 2 LEU HB2 0.000 . 2.500 2.368 2.246 2.508 0.008 12 0 "[ . 1 . 2]" 1
2 1 2 LEU H 1 2 LEU HB3 0.000 . 2.500 2.499 2.338 2.526 0.026 15 0 "[ . 1 . 2]" 1
3 1 2 LEU H 1 2 LEU MD1 0.000 . 5.100 4.025 3.952 4.178 . 0 0 "[ . 1 . 2]" 1
4 1 2 LEU H 1 2 LEU QD 0.000 . 4.750 3.651 3.630 3.685 . 0 0 "[ . 1 . 2]" 1
5 1 2 LEU H 1 2 LEU MD2 0.000 . 5.100 4.189 3.998 4.229 . 0 0 "[ . 1 . 2]" 1
6 1 2 LEU H 1 3 ARG H 0.000 . 2.600 2.635 2.607 2.669 0.069 7 0 "[ . 1 . 2]" 1
7 1 2 LEU H 1 3 ARG QD 0.000 . 7.100 4.082 3.419 4.673 . 0 0 "[ . 1 . 2]" 1
8 1 2 LEU H 1 5 TYR QB 0.000 . 6.580 5.642 5.355 5.748 . 0 0 "[ . 1 . 2]" 1
9 1 2 LEU H 1 5 TYR QD 0.000 . 8.200 7.061 6.650 7.282 . 0 0 "[ . 1 . 2]" 1
10 1 2 LEU HA 1 3 ARG H 0.000 . 3.100 3.180 3.154 3.210 0.110 14 0 "[ . 1 . 2]" 1
11 1 2 LEU HA 1 3 ARG QD 0.000 . 5.700 4.906 4.784 4.976 . 0 0 "[ . 1 . 2]" 1
12 1 2 LEU HA 1 5 TYR H 0.000 . 3.300 3.294 3.226 3.332 0.032 2 0 "[ . 1 . 2]" 1
13 1 2 LEU HA 1 5 TYR QB 0.000 . 5.080 3.132 2.897 3.239 . 0 0 "[ . 1 . 2]" 1
14 1 2 LEU HA 1 5 TYR QD 0.000 . 8.900 4.633 4.127 4.896 . 0 0 "[ . 1 . 2]" 1
15 1 2 LEU HA 1 6 LEU H 0.000 . 5.000 4.220 3.910 4.347 . 0 0 "[ . 1 . 2]" 1
16 1 2 LEU QB 1 5 TYR H 0.000 . 5.480 4.821 4.693 4.966 . 0 0 "[ . 1 . 2]" 1
17 1 2 LEU QB 1 5 TYR QE 0.000 . 9.580 6.937 6.427 7.420 . 0 0 "[ . 1 . 2]" 1
18 1 2 LEU QD 1 5 TYR H 0.000 . 7.470 3.795 3.194 4.448 . 0 0 "[ . 1 . 2]" 1
19 1 2 LEU QD 1 5 TYR QB 0.000 . 7.020 2.577 2.053 3.600 . 0 0 "[ . 1 . 2]" 1
20 1 2 LEU QD 1 5 TYR QD 0.000 . 11.570 2.601 2.029 3.272 . 0 0 "[ . 1 . 2]" 1
21 1 2 LEU QD 1 5 TYR QE 0.000 . 11.570 3.945 3.393 4.488 . 0 0 "[ . 1 . 2]" 1
22 1 2 LEU QD 1 6 LEU H 0.000 . 6.970 3.593 2.961 4.242 . 0 0 "[ . 1 . 2]" 1
23 1 2 LEU QD 1 6 LEU QB 0.000 . 7.950 2.757 1.915 3.233 . 0 0 "[ . 1 . 2]" 1
24 1 2 LEU MD1 1 3 ARG H 0.000 . 6.200 4.609 3.813 5.179 . 0 0 "[ . 1 . 2]" 1
25 1 2 LEU MD1 1 5 TYR HB2 0.000 . 8.940 4.164 3.526 5.464 . 0 0 "[ . 1 . 2]" 1
26 1 2 LEU MD1 1 5 TYR HB3 0.000 . 8.940 2.862 2.069 4.082 . 0 0 "[ . 1 . 2]" 1
27 1 2 LEU MD2 1 3 ARG H 0.000 . 6.200 4.748 4.041 5.103 . 0 0 "[ . 1 . 2]" 1
28 1 2 LEU MD2 1 5 TYR HB2 0.000 . 8.940 5.935 3.525 7.080 . 0 0 "[ . 1 . 2]" 1
29 1 2 LEU MD2 1 5 TYR HB3 0.000 . 8.940 4.541 2.091 5.628 . 0 0 "[ . 1 . 2]" 1
30 1 3 ARG H 1 3 ARG QB 0.000 . 3.280 2.313 2.168 2.647 . 0 0 "[ . 1 . 2]" 1
31 1 3 ARG H 1 3 ARG QD 0.000 . 5.700 2.552 2.025 3.168 . 0 0 "[ . 1 . 2]" 1
32 1 3 ARG H 1 3 ARG QG 0.000 . 4.300 3.491 2.012 3.915 . 0 0 "[ . 1 . 2]" 1
33 1 3 ARG H 1 3 ARG QH2 0.000 . 6.670 5.674 4.030 6.577 . 0 0 "[ . 1 . 2]" 1
34 1 3 ARG H 1 4 HIS H 0.000 . 2.400 2.343 2.267 2.402 0.002 8 0 "[ . 1 . 2]" 1
35 1 3 ARG H 1 4 HIS HA 0.000 . 4.900 4.981 4.952 5.008 0.108 8 0 "[ . 1 . 2]" 1
36 1 3 ARG H 1 4 HIS QB 0.000 . 5.600 4.091 4.008 4.228 . 0 0 "[ . 1 . 2]" 1
37 1 3 ARG H 1 5 TYR QD 0.000 . 9.000 6.723 6.448 6.894 . 0 0 "[ . 1 . 2]" 1
38 1 3 ARG H 1 6 LEU QB 0.000 . 6.980 4.495 4.239 4.754 . 0 0 "[ . 1 . 2]" 1
39 1 3 ARG H 1 6 LEU QD 0.000 . 7.570 5.347 4.950 5.700 . 0 0 "[ . 1 . 2]" 1
40 1 3 ARG HA 1 3 ARG QH2 0.000 . 5.370 5.383 3.657 6.283 0.913 19 12 "[ .****-****. *+*]" 1
41 1 3 ARG HA 1 6 LEU H 0.000 . 3.300 2.792 2.442 3.119 . 0 0 "[ . 1 . 2]" 1
42 1 3 ARG HA 1 6 LEU QD 0.000 . 6.370 3.939 3.547 4.361 . 0 0 "[ . 1 . 2]" 1
43 1 3 ARG HA 1 7 ASN H 0.000 . 4.000 2.454 2.278 2.591 . 0 0 "[ . 1 . 2]" 1
44 1 3 ARG QB 1 4 HIS H 0.000 . 4.080 2.669 2.314 2.922 . 0 0 "[ . 1 . 2]" 1
45 1 3 ARG QB 1 7 ASN QD 0.000 . 6.540 4.541 3.869 4.964 . 0 0 "[ . 1 . 2]" 1
46 1 3 ARG HB2 1 3 ARG HE 0.000 . 3.900 3.213 2.573 3.868 . 0 0 "[ . 1 . 2]" 1
47 1 3 ARG HB3 1 3 ARG HE 0.000 . 3.900 3.602 2.060 3.966 0.066 10 0 "[ . 1 . 2]" 1
48 1 3 ARG QD 1 6 LEU QB 0.000 . 8.680 3.492 2.631 4.748 . 0 0 "[ . 1 . 2]" 1
49 1 3 ARG QD 1 6 LEU MD1 0.000 . 9.000 4.919 3.494 6.683 . 0 0 "[ . 1 . 2]" 1
50 1 3 ARG QD 1 6 LEU QD 0.000 . 8.510 3.704 2.755 5.400 . 0 0 "[ . 1 . 2]" 1
51 1 3 ARG QD 1 6 LEU MD2 0.000 . 9.000 4.042 2.793 6.492 . 0 0 "[ . 1 . 2]" 1
52 1 3 ARG QD 1 7 ASN QD 0.000 . 8.070 6.362 5.730 6.500 . 0 0 "[ . 1 . 2]" 1
53 1 3 ARG QG 1 7 ASN QD 0.000 . 7.170 5.020 4.679 5.680 . 0 0 "[ . 1 . 2]" 1
54 1 4 HIS H 1 4 HIS QB 0.000 . 3.000 2.244 2.203 2.283 . 0 0 "[ . 1 . 2]" 1
55 1 4 HIS H 1 7 ASN QB 0.000 . 6.480 4.336 4.100 4.674 . 0 0 "[ . 1 . 2]" 1
56 1 4 HIS HA 1 4 HIS HD2 0.000 . 2.900 2.929 2.912 2.947 0.047 7 0 "[ . 1 . 2]" 1
57 1 4 HIS HA 1 7 ASN H 0.000 . 5.000 4.577 4.317 4.789 . 0 0 "[ . 1 . 2]" 1
58 1 4 HIS HA 1 7 ASN HB2 0.000 . 5.800 5.131 4.784 5.615 . 0 0 "[ . 1 . 2]" 1
59 1 4 HIS HA 1 7 ASN QB 0.000 . 5.490 3.706 3.500 3.985 . 0 0 "[ . 1 . 2]" 1
60 1 4 HIS HA 1 7 ASN HB3 0.000 . 5.800 3.802 3.574 4.089 . 0 0 "[ . 1 . 2]" 1
61 1 4 HIS QB 1 5 TYR QE 0.000 . 9.880 7.209 6.740 7.533 . 0 0 "[ . 1 . 2]" 1
62 1 4 HIS QB 1 6 LEU H 0.000 . 6.200 4.863 4.722 5.056 . 0 0 "[ . 1 . 2]" 1
63 1 4 HIS QB 1 7 ASN HB2 0.000 . 7.500 6.343 6.071 6.720 . 0 0 "[ . 1 . 2]" 1
64 1 4 HIS QB 1 7 ASN QB 0.000 . 7.350 5.175 5.005 5.349 . 0 0 "[ . 1 . 2]" 1
65 1 4 HIS QB 1 7 ASN HB3 0.000 . 7.500 5.486 5.279 5.631 . 0 0 "[ . 1 . 2]" 1
66 1 4 HIS QB 1 7 ASN QD 0.000 . 8.470 6.534 6.227 6.681 . 0 0 "[ . 1 . 2]" 1
67 1 4 HIS QB 1 8 LEU H 0.000 . 7.100 5.321 4.986 5.553 . 0 0 "[ . 1 . 2]" 1
68 1 4 HIS QB 1 8 LEU QB 0.000 . 7.880 4.524 4.077 4.886 . 0 0 "[ . 1 . 2]" 1
69 1 4 HIS HE1 1 8 LEU HB2 0.000 . 6.400 5.267 4.731 5.691 . 0 0 "[ . 1 . 2]" 1
70 1 4 HIS HE1 1 8 LEU QB 0.000 . 5.680 4.902 4.457 5.114 . 0 0 "[ . 1 . 2]" 1
71 1 4 HIS HE1 1 8 LEU HB3 0.000 . 6.400 5.864 5.400 6.242 . 0 0 "[ . 1 . 2]" 1
72 1 4 HIS HE1 1 8 LEU QD 0.000 . 5.600 3.196 2.352 4.203 . 0 0 "[ . 1 . 2]" 1
73 1 5 TYR H 1 5 TYR QE 0.000 . 6.700 6.225 6.085 6.301 . 0 0 "[ . 1 . 2]" 1
74 1 5 TYR H 1 6 LEU H 0.000 . 2.400 2.109 1.945 2.302 . 0 0 "[ . 1 . 2]" 1
75 1 5 TYR H 1 6 LEU QB 0.000 . 5.880 3.803 3.614 4.032 . 0 0 "[ . 1 . 2]" 1
76 1 5 TYR H 1 6 LEU QD 0.000 . 7.570 4.995 4.762 5.226 . 0 0 "[ . 1 . 2]" 1
77 1 5 TYR H 1 7 ASN H 0.000 . 4.800 3.345 3.123 3.540 . 0 0 "[ . 1 . 2]" 1
78 1 5 TYR HA 1 5 TYR QE 0.000 . 5.500 4.635 4.431 4.894 . 0 0 "[ . 1 . 2]" 1
79 1 5 TYR HA 1 7 ASN H 0.000 . 4.300 4.361 4.318 4.415 0.115 19 0 "[ . 1 . 2]" 1
80 1 5 TYR HA 1 8 LEU H 0.000 . 5.000 3.482 3.205 3.713 . 0 0 "[ . 1 . 2]" 1
81 1 5 TYR HA 1 8 LEU HB2 0.000 . 4.800 3.646 3.216 4.169 . 0 0 "[ . 1 . 2]" 1
82 1 5 TYR HA 1 8 LEU HB3 0.000 . 4.800 2.444 2.085 2.820 . 0 0 "[ . 1 . 2]" 1
83 1 5 TYR HA 1 8 LEU QD 0.000 . 8.700 3.122 2.862 3.437 . 0 0 "[ . 1 . 2]" 1
84 1 5 TYR HA 1 9 LEU H 0.000 . 3.900 3.818 3.523 3.934 0.034 15 0 "[ . 1 . 2]" 1
85 1 5 TYR QB 1 6 LEU H 0.000 . 3.880 2.982 2.806 3.154 . 0 0 "[ . 1 . 2]" 1
86 1 5 TYR QB 1 6 LEU QB 0.000 . 7.250 3.919 3.643 4.098 . 0 0 "[ . 1 . 2]" 1
87 1 5 TYR QB 1 7 ASN H 0.000 . 5.680 4.668 4.497 4.817 . 0 0 "[ . 1 . 2]" 1
88 1 5 TYR QB 1 8 LEU H 0.000 . 5.430 4.912 4.741 4.968 . 0 0 "[ . 1 . 2]" 1
89 1 5 TYR QB 1 9 LEU H 0.000 . 6.380 5.334 5.213 5.465 . 0 0 "[ . 1 . 2]" 1
90 1 5 TYR QB 1 9 LEU QD 0.000 . 8.290 4.690 4.170 5.475 . 0 0 "[ . 1 . 2]" 1
91 1 5 TYR HB2 1 8 LEU H 0.000 . 5.700 5.581 5.412 5.651 . 0 0 "[ . 1 . 2]" 1
92 1 5 TYR HB2 1 9 LEU MD1 0.000 . 9.750 7.202 5.632 7.904 . 0 0 "[ . 1 . 2]" 1
93 1 5 TYR HB2 1 9 LEU MD2 0.000 . 9.750 5.681 4.692 7.175 . 0 0 "[ . 1 . 2]" 1
94 1 5 TYR HB3 1 8 LEU H 0.000 . 5.700 5.453 5.241 5.572 . 0 0 "[ . 1 . 2]" 1
95 1 5 TYR HB3 1 9 LEU MD1 0.000 . 9.750 7.054 5.287 7.695 . 0 0 "[ . 1 . 2]" 1
96 1 5 TYR HB3 1 9 LEU MD2 0.000 . 9.750 5.622 4.746 6.968 . 0 0 "[ . 1 . 2]" 1
97 1 5 TYR QD 1 6 LEU H 0.000 . 6.100 3.913 3.393 4.289 . 0 0 "[ . 1 . 2]" 1
98 1 5 TYR QD 1 6 LEU HA 0.000 . 9.000 3.939 3.443 4.560 . 0 0 "[ . 1 . 2]" 1
99 1 5 TYR QD 1 6 LEU QB 0.000 . 9.880 3.923 3.400 4.464 . 0 0 "[ . 1 . 2]" 1
100 1 5 TYR QD 1 6 LEU QD 0.000 . 11.470 3.521 2.757 4.874 . 0 0 "[ . 1 . 2]" 1
101 1 5 TYR QD 1 7 ASN H 0.000 . 8.700 5.495 5.150 5.726 . 0 0 "[ . 1 . 2]" 1
102 1 5 TYR QD 1 8 LEU H 0.000 . 8.100 5.574 5.203 5.902 . 0 0 "[ . 1 . 2]" 1
103 1 5 TYR QD 1 8 LEU QB 0.000 . 9.780 4.283 3.532 4.807 . 0 0 "[ . 1 . 2]" 1
104 1 5 TYR QD 1 9 LEU H 0.000 . 7.900 5.222 4.748 5.595 . 0 0 "[ . 1 . 2]" 1
105 1 5 TYR QD 1 9 LEU QB 0.000 . 9.880 4.248 3.430 4.632 . 0 0 "[ . 1 . 2]" 1
106 1 5 TYR QD 1 9 LEU QD 0.000 . 11.570 3.575 2.394 4.496 . 0 0 "[ . 1 . 2]" 1
107 1 5 TYR QE 1 6 LEU H 0.000 . 8.400 5.801 5.251 6.243 . 0 0 "[ . 1 . 2]" 1
108 1 5 TYR QE 1 8 LEU QB 0.000 . 9.180 5.783 4.857 6.285 . 0 0 "[ . 1 . 2]" 1
109 1 5 TYR QE 1 9 LEU H 0.000 . 9.000 6.197 5.530 6.674 . 0 0 "[ . 1 . 2]" 1
110 1 5 TYR QE 1 9 LEU HB2 0.000 . 7.300 4.754 3.622 5.274 . 0 0 "[ . 1 . 2]" 1
111 1 5 TYR QE 1 9 LEU HB3 0.000 . 7.300 5.722 4.709 6.334 . 0 0 "[ . 1 . 2]" 1
112 1 5 TYR QE 1 9 LEU MD1 0.000 . 9.600 4.601 2.850 5.601 . 0 0 "[ . 1 . 2]" 1
113 1 5 TYR QE 1 9 LEU QD 0.000 . 8.600 3.143 2.419 4.056 . 0 0 "[ . 1 . 2]" 1
114 1 5 TYR QE 1 9 LEU MD2 0.000 . 9.600 3.460 2.430 4.928 . 0 0 "[ . 1 . 2]" 1
115 1 6 LEU H 1 6 LEU HB2 0.000 . 2.700 2.244 2.129 2.362 . 0 0 "[ . 1 . 2]" 1
116 1 6 LEU H 1 6 LEU QB 0.000 . 2.400 2.146 2.061 2.226 . 0 0 "[ . 1 . 2]" 1
117 1 6 LEU H 1 6 LEU HB3 0.000 . 2.700 2.744 2.721 2.775 0.075 12 0 "[ . 1 . 2]" 1
118 1 6 LEU H 1 6 LEU QD 0.000 . 4.920 3.625 3.489 3.783 . 0 0 "[ . 1 . 2]" 1
119 1 6 LEU H 1 7 ASN H 0.000 . 2.400 1.983 1.928 2.067 . 0 0 "[ . 1 . 2]" 1
120 1 6 LEU H 1 7 ASN HA 0.000 . 4.700 4.765 4.748 4.800 0.100 10 0 "[ . 1 . 2]" 1
121 1 6 LEU H 1 7 ASN HB2 0.000 . 5.100 4.281 4.153 4.386 . 0 0 "[ . 1 . 2]" 1
122 1 6 LEU H 1 7 ASN QB 0.000 . 4.780 3.802 3.706 3.894 . 0 0 "[ . 1 . 2]" 1
123 1 6 LEU H 1 7 ASN HB3 0.000 . 5.100 4.257 4.135 4.369 . 0 0 "[ . 1 . 2]" 1
124 1 6 LEU H 1 8 LEU H 0.000 . 4.300 3.418 3.280 3.528 . 0 0 "[ . 1 . 2]" 1
125 1 6 LEU H 1 9 LEU QB 0.000 . 4.980 4.309 4.208 4.506 . 0 0 "[ . 1 . 2]" 1
126 1 6 LEU H 1 10 THR MG 0.000 . 8.000 6.408 5.615 6.586 . 0 0 "[ . 1 . 2]" 1
127 1 6 LEU QB 1 8 LEU H 0.000 . 5.480 4.467 4.336 4.606 . 0 0 "[ . 1 . 2]" 1
128 1 6 LEU HB2 1 7 ASN H 0.000 . 3.200 3.275 3.242 3.295 0.095 16 0 "[ . 1 . 2]" 1
129 1 6 LEU HB3 1 7 ASN H 0.000 . 3.200 2.548 2.404 2.689 . 0 0 "[ . 1 . 2]" 1
130 1 6 LEU QD 1 7 ASN H 0.000 . 6.080 3.937 3.655 4.111 . 0 0 "[ . 1 . 2]" 1
131 1 6 LEU QD 1 8 LEU H 0.000 . 8.470 5.337 4.754 5.671 . 0 0 "[ . 1 . 2]" 1
132 1 6 LEU QD 1 10 THR H 0.000 . 7.970 4.812 3.594 5.844 . 0 0 "[ . 1 . 2]" 1
133 1 6 LEU MD1 1 7 ASN H 0.000 . 7.400 4.593 3.867 4.825 . 0 0 "[ . 1 . 2]" 1
134 1 6 LEU MD2 1 7 ASN H 0.000 . 7.400 4.324 3.834 4.566 . 0 0 "[ . 1 . 2]" 1
135 1 7 ASN H 1 7 ASN HB2 0.000 . 2.500 2.505 2.415 2.578 0.078 2 0 "[ . 1 . 2]" 1
136 1 7 ASN H 1 7 ASN HB3 0.000 . 2.500 2.559 2.533 2.591 0.091 17 0 "[ . 1 . 2]" 1
137 1 7 ASN H 1 7 ASN QD 0.000 . 5.370 4.349 4.215 4.407 . 0 0 "[ . 1 . 2]" 1
138 1 7 ASN H 1 8 LEU H 0.000 . 2.400 2.375 2.284 2.438 0.038 2 0 "[ . 1 . 2]" 1
139 1 7 ASN H 1 9 LEU H 0.000 . 6.800 3.497 3.421 3.583 . 0 0 "[ . 1 . 2]" 1
140 1 7 ASN H 1 10 THR MG 0.000 . 7.100 4.929 4.170 5.106 . 0 0 "[ . 1 . 2]" 1
141 1 7 ASN HA 1 7 ASN HD21 0.000 . 4.100 3.537 3.287 3.653 . 0 0 "[ . 1 . 2]" 1
142 1 7 ASN HA 1 7 ASN QD 0.000 . 3.710 3.333 3.151 3.412 . 0 0 "[ . 1 . 2]" 1
143 1 7 ASN HA 1 7 ASN HD22 0.000 . 4.100 4.082 4.040 4.117 0.017 7 0 "[ . 1 . 2]" 1
144 1 7 ASN HA 1 9 LEU H 0.000 . 3.800 3.808 3.684 3.855 0.055 8 0 "[ . 1 . 2]" 1
145 1 7 ASN QB 1 8 LEU H 0.000 . 3.880 2.550 2.402 2.844 . 0 0 "[ . 1 . 2]" 1
146 1 7 ASN QB 1 8 LEU QB 0.000 . 7.830 3.761 3.585 3.956 . 0 0 "[ . 1 . 2]" 1
147 1 7 ASN QB 1 11 ARG H 0.000 . 6.880 5.277 4.913 5.734 . 0 0 "[ . 1 . 2]" 1
148 1 7 ASN HB2 1 8 LEU HB2 0.000 . 8.750 5.680 5.421 5.926 . 0 0 "[ . 1 . 2]" 1
149 1 7 ASN HB2 1 8 LEU HB3 0.000 . 8.750 6.124 5.938 6.236 . 0 0 "[ . 1 . 2]" 1
150 1 7 ASN HB2 1 8 LEU QD 0.000 . 9.400 6.277 6.159 6.427 . 0 0 "[ . 1 . 2]" 1
151 1 7 ASN HB2 1 9 LEU H 0.000 . 5.200 5.225 5.130 5.253 0.053 6 0 "[ . 1 . 2]" 1
152 1 7 ASN HB2 1 10 THR H 0.000 . 5.800 5.446 5.073 5.808 0.008 10 0 "[ . 1 . 2]" 1
153 1 7 ASN HB3 1 7 ASN HD22 0.000 . 3.800 3.511 3.450 3.549 . 0 0 "[ . 1 . 2]" 1
154 1 7 ASN HB3 1 8 LEU HB2 0.000 . 8.750 4.064 3.793 4.330 . 0 0 "[ . 1 . 2]" 1
155 1 7 ASN HB3 1 8 LEU HB3 0.000 . 8.750 4.802 4.619 4.939 . 0 0 "[ . 1 . 2]" 1
156 1 7 ASN HB3 1 8 LEU QD 0.000 . 9.400 5.120 4.935 5.339 . 0 0 "[ . 1 . 2]" 1
157 1 7 ASN HB3 1 9 LEU H 0.000 . 5.200 4.577 4.508 4.702 . 0 0 "[ . 1 . 2]" 1
158 1 7 ASN HB3 1 10 THR H 0.000 . 5.800 5.329 4.989 5.819 0.019 4 0 "[ . 1 . 2]" 1
159 1 7 ASN QD 1 8 LEU H 0.000 . 5.700 3.452 3.157 3.684 . 0 0 "[ . 1 . 2]" 1
160 1 7 ASN QD 1 8 LEU QB 0.000 . 5.810 3.917 3.751 4.037 . 0 0 "[ . 1 . 2]" 1
161 1 7 ASN QD 1 11 ARG QD 0.000 . 7.570 3.552 2.456 4.806 . 0 0 "[ . 1 . 2]" 1
162 1 7 ASN HD21 1 8 LEU H 0.000 . 6.100 3.512 3.203 3.754 . 0 0 "[ . 1 . 2]" 1
163 1 7 ASN HD21 1 8 LEU HB2 0.000 . 6.850 4.167 3.942 4.332 . 0 0 "[ . 1 . 2]" 1
164 1 7 ASN HD21 1 8 LEU HB3 0.000 . 6.850 5.206 5.029 5.277 . 0 0 "[ . 1 . 2]" 1
165 1 7 ASN HD21 1 8 LEU QD 0.000 . 9.400 4.894 4.267 5.121 . 0 0 "[ . 1 . 2]" 1
166 1 7 ASN HD22 1 8 LEU H 0.000 . 6.100 5.097 4.776 5.353 . 0 0 "[ . 1 . 2]" 1
167 1 7 ASN HD22 1 8 LEU HB2 0.000 . 6.850 5.823 5.603 6.003 . 0 0 "[ . 1 . 2]" 1
168 1 7 ASN HD22 1 8 LEU HB3 0.000 . 6.850 6.862 6.554 6.930 0.080 16 0 "[ . 1 . 2]" 1
169 1 7 ASN HD22 1 8 LEU QD 0.000 . 9.400 6.025 5.297 6.289 . 0 0 "[ . 1 . 2]" 1
170 1 8 LEU H 1 8 LEU HB2 0.000 . 2.400 2.434 2.355 2.484 0.084 16 0 "[ . 1 . 2]" 1
171 1 8 LEU H 1 8 LEU HB3 0.000 . 2.400 2.395 2.246 2.450 0.050 6 0 "[ . 1 . 2]" 1
172 1 8 LEU H 1 9 LEU H 0.000 . 2.400 2.365 2.095 2.449 0.049 20 0 "[ . 1 . 2]" 1
173 1 8 LEU H 1 10 THR H 0.000 . 7.000 4.125 3.925 4.389 . 0 0 "[ . 1 . 2]" 1
174 1 8 LEU H 1 10 THR MG 0.000 . 7.700 4.770 4.065 5.215 . 0 0 "[ . 1 . 2]" 1
175 1 8 LEU H 1 11 ARG QB 0.000 . 8.000 4.947 4.588 5.389 . 0 0 "[ . 1 . 2]" 1
176 1 8 LEU HA 1 11 ARG QB 0.000 . 5.700 2.600 2.016 3.897 . 0 0 "[ . 1 . 2]" 1
177 1 8 LEU HA 1 11 ARG QD 0.000 . 7.300 4.388 2.672 5.029 . 0 0 "[ . 1 . 2]" 1
178 1 8 LEU QB 1 9 LEU H 0.000 . 3.880 2.772 2.534 2.938 . 0 0 "[ . 1 . 2]" 1
179 1 8 LEU QB 1 9 LEU QD 0.000 . 10.450 4.093 3.098 5.041 . 0 0 "[ . 1 . 2]" 1
180 1 8 LEU QB 1 10 THR H 0.000 . 5.780 4.852 4.561 5.137 . 0 0 "[ . 1 . 2]" 1
181 1 8 LEU QD 1 9 LEU H 0.000 . 7.300 3.516 3.193 4.089 . 0 0 "[ . 1 . 2]" 1
182 1 8 LEU QD 1 11 ARG H 0.000 . 9.100 4.648 3.855 5.110 . 0 0 "[ . 1 . 2]" 1
183 1 8 LEU QD 1 11 ARG QD 0.000 . 10.400 5.175 3.929 6.197 . 0 0 "[ . 1 . 2]" 1
184 1 8 LEU QD 1 11 ARG HE 0.000 . 9.400 5.602 3.299 7.031 . 0 0 "[ . 1 . 2]" 1
185 1 8 LEU QD 1 12 GLN HB2 0.000 . 9.400 3.847 3.201 4.422 . 0 0 "[ . 1 . 2]" 1
186 1 8 LEU QD 1 12 GLN HB3 0.000 . 9.400 3.058 2.123 4.706 . 0 0 "[ . 1 . 2]" 1
187 1 8 LEU QD 1 12 GLN HE21 0.000 . 8.400 4.564 3.673 5.428 . 0 0 "[ . 1 . 2]" 1
188 1 8 LEU QD 1 12 GLN QE 0.000 . 8.260 4.256 3.513 4.907 . 0 0 "[ . 1 . 2]" 1
189 1 8 LEU QD 1 12 GLN HE22 0.000 . 8.400 5.197 4.475 5.676 . 0 0 "[ . 1 . 2]" 1
190 1 8 LEU QD 1 13 ARG QD 0.000 . 10.400 6.193 5.869 6.579 . 0 0 "[ . 1 . 2]" 1
191 1 9 LEU H 1 9 LEU QB 0.000 . 3.280 2.179 2.092 2.295 . 0 0 "[ . 1 . 2]" 1
192 1 9 LEU H 1 10 THR H 0.000 . 2.500 2.528 2.500 2.569 0.069 20 0 "[ . 1 . 2]" 1
193 1 9 LEU H 1 10 THR MG 0.000 . 6.000 4.351 3.533 4.677 . 0 0 "[ . 1 . 2]" 1
194 1 9 LEU H 1 11 ARG H 0.000 . 7.000 3.723 3.504 3.916 . 0 0 "[ . 1 . 2]" 1
195 1 9 LEU H 1 12 GLN QG 0.000 . 7.100 4.341 4.016 4.741 . 0 0 "[ . 1 . 2]" 1
196 1 9 LEU HA 1 12 GLN H 0.000 . 3.200 3.152 2.959 3.252 0.052 12 0 "[ . 1 . 2]" 1
197 1 9 LEU HA 1 12 GLN HB2 0.000 . 5.700 4.393 2.462 4.896 . 0 0 "[ . 1 . 2]" 1
198 1 9 LEU HA 1 12 GLN QB 0.000 . 5.430 3.490 2.445 4.012 . 0 0 "[ . 1 . 2]" 1
199 1 9 LEU HA 1 12 GLN HB3 0.000 . 5.700 3.875 3.387 5.041 . 0 0 "[ . 1 . 2]" 1
200 1 9 LEU HA 1 12 GLN QG 0.000 . 5.000 2.171 1.835 3.553 . 0 0 "[ . 1 . 2]" 1
201 1 9 LEU HA 1 13 ARG H 0.000 . 3.500 3.557 3.514 3.607 0.107 20 0 "[ . 1 . 2]" 1
202 1 9 LEU QB 1 10 THR H 0.000 . 3.980 2.692 2.419 3.036 . 0 0 "[ . 1 . 2]" 1
203 1 9 LEU QB 1 11 ARG H 0.000 . 6.180 4.509 4.269 4.732 . 0 0 "[ . 1 . 2]" 1
204 1 9 LEU QB 1 12 GLN H 0.000 . 6.680 4.781 4.656 4.883 . 0 0 "[ . 1 . 2]" 1
205 1 9 LEU QD 1 10 THR H 0.000 . 6.970 3.708 3.093 3.994 . 0 0 "[ . 1 . 2]" 1
206 1 9 LEU QD 1 11 ARG H 0.000 . 9.570 4.758 4.440 5.086 . 0 0 "[ . 1 . 2]" 1
207 1 9 LEU QD 1 12 GLN H 0.000 . 6.780 4.134 3.758 4.758 . 0 0 "[ . 1 . 2]" 1
208 1 9 LEU QD 1 12 GLN QB 0.000 . 10.450 3.945 2.808 5.083 . 0 0 "[ . 1 . 2]" 1
209 1 9 LEU QD 1 12 GLN QE 0.000 . 8.480 4.092 3.344 5.474 . 0 0 "[ . 1 . 2]" 1
210 1 9 LEU MD1 1 11 ARG QB 0.000 . 9.000 6.246 5.763 6.608 . 0 0 "[ . 1 . 2]" 1
211 1 9 LEU MD1 1 12 GLN H 0.000 . 7.200 4.518 3.951 5.482 . 0 0 "[ . 1 . 2]" 1
212 1 9 LEU MD1 1 12 GLN HE21 0.000 . 10.140 5.086 4.110 6.546 . 0 0 "[ . 1 . 2]" 1
213 1 9 LEU MD1 1 12 GLN HE22 0.000 . 10.140 5.095 3.838 7.401 . 0 0 "[ . 1 . 2]" 1
214 1 9 LEU MD2 1 11 ARG QB 0.000 . 9.000 6.155 5.711 6.570 . 0 0 "[ . 1 . 2]" 1
215 1 9 LEU MD2 1 12 GLN H 0.000 . 7.200 4.859 4.086 5.523 . 0 0 "[ . 1 . 2]" 1
216 1 9 LEU MD2 1 12 GLN HE21 0.000 . 10.140 5.620 4.045 7.614 . 0 0 "[ . 1 . 2]" 1
217 1 9 LEU MD2 1 12 GLN HE22 0.000 . 10.140 5.650 4.156 7.826 . 0 0 "[ . 1 . 2]" 1
218 1 10 THR H 1 10 THR HB 0.000 . 2.400 2.397 2.269 2.484 0.084 19 0 "[ . 1 . 2]" 1
219 1 10 THR H 1 10 THR MG 0.000 . 3.600 2.641 1.995 2.888 . 0 0 "[ . 1 . 2]" 1
220 1 10 THR H 1 11 ARG H 0.000 . 2.500 2.445 2.116 2.552 0.052 19 0 "[ . 1 . 2]" 1
221 1 10 THR H 1 11 ARG QB 0.000 . 6.200 4.436 3.924 4.808 . 0 0 "[ . 1 . 2]" 1
222 1 10 THR H 1 12 GLN QB 0.000 . 7.200 5.653 4.747 6.198 . 0 0 "[ . 1 . 2]" 1
223 1 10 THR HA 1 12 GLN H 0.000 . 4.400 4.008 3.666 4.403 0.003 19 0 "[ . 1 . 2]" 1
224 1 10 THR HA 1 14 TYR H 0.000 . 7.000 2.497 2.366 2.664 . 0 0 "[ . 1 . 2]" 1
225 1 10 THR HA 1 14 TYR QD 0.000 . 8.600 2.515 2.166 3.586 . 0 0 "[ . 1 . 2]" 1
226 1 10 THR HB 1 11 ARG H 0.000 . 5.000 3.839 3.526 4.073 . 0 0 "[ . 1 . 2]" 1
227 1 10 THR HB 1 14 TYR H 0.000 . 4.900 4.950 4.929 4.978 0.078 9 0 "[ . 1 . 2]" 1
228 1 10 THR HB 1 14 TYR QD 0.000 . 8.800 4.090 3.481 4.978 . 0 0 "[ . 1 . 2]" 1
229 1 10 THR HB 1 14 TYR QE 0.000 . 9.000 5.267 4.726 6.320 . 0 0 "[ . 1 . 2]" 1
230 1 10 THR MG 1 11 ARG H 0.000 . 4.500 2.281 2.044 2.525 . 0 0 "[ . 1 . 2]" 1
231 1 10 THR MG 1 12 GLN H 0.000 . 6.400 4.380 4.147 4.592 . 0 0 "[ . 1 . 2]" 1
232 1 10 THR MG 1 14 TYR H 0.000 . 6.500 4.432 4.088 4.782 . 0 0 "[ . 1 . 2]" 1
233 1 10 THR MG 1 14 TYR QB 0.000 . 6.980 3.448 3.024 4.168 . 0 0 "[ . 1 . 2]" 1
234 1 10 THR MG 1 14 TYR QD 0.000 . 10.000 4.433 3.755 5.043 . 0 0 "[ . 1 . 2]" 1
235 1 10 THR MG 1 14 TYR QE 0.000 . 10.000 5.741 5.173 6.297 . 0 0 "[ . 1 . 2]" 1
236 1 11 ARG H 1 11 ARG QB 0.000 . 3.300 2.371 2.175 2.621 . 0 0 "[ . 1 . 2]" 1
237 1 11 ARG H 1 11 ARG QD 0.000 . 5.800 4.231 3.355 4.584 . 0 0 "[ . 1 . 2]" 1
238 1 11 ARG H 1 11 ARG HE 0.000 . 5.100 4.804 3.726 5.182 0.082 7 0 "[ . 1 . 2]" 1
239 1 11 ARG H 1 11 ARG HG2 0.000 . 3.400 2.826 2.003 3.425 0.025 4 0 "[ . 1 . 2]" 1
240 1 11 ARG H 1 11 ARG QG 0.000 . 3.130 2.471 1.991 2.891 . 0 0 "[ . 1 . 2]" 1
241 1 11 ARG H 1 11 ARG HG3 0.000 . 3.400 3.046 2.195 3.454 0.054 2 0 "[ . 1 . 2]" 1
242 1 11 ARG H 1 12 GLN H 0.000 . 2.500 2.525 2.423 2.582 0.082 17 0 "[ . 1 . 2]" 1
243 1 11 ARG H 1 12 GLN QB 0.000 . 6.300 4.540 4.258 4.784 . 0 0 "[ . 1 . 2]" 1
244 1 11 ARG H 1 12 GLN HG2 0.000 . 6.800 5.052 3.621 5.457 . 0 0 "[ . 1 . 2]" 1
245 1 11 ARG H 1 12 GLN QG 0.000 . 6.310 4.213 3.560 4.674 . 0 0 "[ . 1 . 2]" 1
246 1 11 ARG H 1 12 GLN HG3 0.000 . 6.800 4.604 4.052 5.258 . 0 0 "[ . 1 . 2]" 1
247 1 11 ARG H 1 13 ARG QB 0.000 . 6.480 5.056 4.698 5.515 . 0 0 "[ . 1 . 2]" 1
248 1 11 ARG HA 1 14 TYR QB 0.000 . 6.680 4.258 4.161 4.391 . 0 0 "[ . 1 . 2]" 1
249 1 11 ARG HA 1 14 TYR QD 0.000 . 8.200 6.083 5.970 6.347 . 0 0 "[ . 1 . 2]" 1
250 1 11 ARG HA 1 14 TYR QE 0.000 . 9.000 8.158 8.073 8.245 . 0 0 "[ . 1 . 2]" 1
251 1 11 ARG QB 1 11 ARG HE 0.000 . 4.900 3.474 2.169 4.240 . 0 0 "[ . 1 . 2]" 1
252 1 11 ARG QB 1 12 GLN H 0.000 . 4.400 2.999 2.572 3.820 . 0 0 "[ . 1 . 2]" 1
253 1 11 ARG QB 1 13 ARG H 0.000 . 8.000 4.753 4.378 5.254 . 0 0 "[ . 1 . 2]" 1
254 1 11 ARG QB 1 14 TYR H 0.000 . 8.000 5.556 5.408 5.640 . 0 0 "[ . 1 . 2]" 1
255 1 11 ARG QD 1 12 GLN H 0.000 . 6.900 5.062 3.813 5.770 . 0 0 "[ . 1 . 2]" 1
256 1 11 ARG HE 1 11 ARG HG2 0.000 . 3.500 2.845 2.149 3.555 0.055 16 0 "[ . 1 . 2]" 1
257 1 11 ARG HE 1 11 ARG HG3 0.000 . 3.500 2.850 2.342 3.546 0.046 8 0 "[ . 1 . 2]" 1
258 1 11 ARG QG 1 12 GLN H 0.000 . 5.380 3.989 2.681 4.477 . 0 0 "[ . 1 . 2]" 1
259 1 12 GLN H 1 12 GLN QB 0.000 . 3.000 2.528 2.426 2.599 . 0 0 "[ . 1 . 2]" 1
260 1 12 GLN H 1 12 GLN HG2 0.000 . 3.400 3.216 1.996 3.452 0.052 13 0 "[ . 1 . 2]" 1
261 1 12 GLN H 1 12 GLN HG3 0.000 . 3.400 2.590 2.069 3.464 0.064 18 0 "[ . 1 . 2]" 1
262 1 12 GLN H 1 13 ARG H 0.000 . 2.700 2.103 1.848 2.280 . 0 0 "[ . 1 . 2]" 1
263 1 12 GLN H 1 14 TYR QD 0.000 . 9.000 5.922 5.262 6.226 . 0 0 "[ . 1 . 2]" 1
264 1 12 GLN HA 1 12 GLN HE21 0.000 . 5.200 3.532 2.201 4.472 . 0 0 "[ . 1 . 2]" 1
265 1 12 GLN HA 1 12 GLN QE 0.000 . 4.880 3.425 2.188 4.232 . 0 0 "[ . 1 . 2]" 1
266 1 12 GLN HA 1 12 GLN HE22 0.000 . 5.200 4.838 3.483 5.248 0.048 17 0 "[ . 1 . 2]" 1
267 1 12 GLN QB 1 13 ARG H 0.000 . 4.200 3.438 2.739 3.659 . 0 0 "[ . 1 . 2]" 1
268 1 12 GLN HB2 1 12 GLN HE22 0.000 . 4.900 3.580 3.176 4.903 0.003 18 0 "[ . 1 . 2]" 1
269 1 12 GLN HB3 1 12 GLN HE22 0.000 . 4.900 4.534 3.450 4.810 . 0 0 "[ . 1 . 2]" 1
270 1 12 GLN QE 1 13 ARG QB 0.000 . 8.240 4.464 3.461 6.318 . 0 0 "[ . 1 . 2]" 1
271 1 12 GLN QG 1 13 ARG H 0.000 . 5.130 2.496 2.038 4.204 . 0 0 "[ . 1 . 2]" 1
272 1 12 GLN QG 1 13 ARG QB 0.000 . 6.680 3.040 2.402 5.194 . 0 0 "[ . 1 . 2]" 1
273 1 12 GLN QG 1 13 ARG QD 0.000 . 6.900 4.044 3.242 5.342 . 0 0 "[ . 1 . 2]" 1
274 1 12 GLN QG 1 13 ARG HE 0.000 . 8.000 5.933 3.695 7.083 . 0 0 "[ . 1 . 2]" 1
275 1 12 GLN QG 1 14 TYR H 0.000 . 7.100 4.732 4.342 5.988 . 0 0 "[ . 1 . 2]" 1
276 1 12 GLN HG2 1 13 ARG H 0.000 . 5.300 3.957 3.731 4.647 . 0 0 "[ . 1 . 2]" 1
277 1 12 GLN HG3 1 13 ARG H 0.000 . 5.300 2.624 2.047 4.811 . 0 0 "[ . 1 . 2]" 1
278 1 13 ARG H 1 13 ARG HB2 0.000 . 2.800 2.506 2.265 2.777 . 0 0 "[ . 1 . 2]" 1
279 1 13 ARG H 1 13 ARG HB3 0.000 . 2.800 2.802 2.678 2.882 0.082 6 0 "[ . 1 . 2]" 1
280 1 13 ARG H 1 14 TYR H 0.000 . 3.200 2.465 2.307 2.583 . 0 0 "[ . 1 . 2]" 1
281 1 13 ARG H 1 14 TYR HA 0.000 . 5.200 5.086 4.981 5.166 . 0 0 "[ . 1 . 2]" 1
282 1 13 ARG H 1 14 TYR QB 0.000 . 5.880 4.287 4.132 4.411 . 0 0 "[ . 1 . 2]" 1
283 1 13 ARG H 1 14 TYR QD 0.000 . 8.600 4.564 3.670 4.998 . 0 0 "[ . 1 . 2]" 1
284 1 13 ARG QB 1 14 TYR H 0.000 . 3.700 2.622 2.369 2.893 . 0 0 "[ . 1 . 2]" 1
285 1 13 ARG QB 1 14 TYR QD 0.000 . 9.880 2.838 2.155 3.502 . 0 0 "[ . 1 . 2]" 1
286 1 13 ARG QB 1 14 TYR QE 0.000 . 9.880 4.149 3.206 4.817 . 0 0 "[ . 1 . 2]" 1
287 1 13 ARG HB2 1 14 TYR H 0.000 . 3.900 3.741 3.618 3.906 0.006 1 0 "[ . 1 . 2]" 1
288 1 13 ARG HB3 1 14 TYR H 0.000 . 3.900 2.681 2.400 3.027 . 0 0 "[ . 1 . 2]" 1
289 1 13 ARG QG 1 14 TYR H 0.000 . 6.900 4.094 3.598 4.516 . 0 0 "[ . 1 . 2]" 1
290 1 14 TYR H 1 14 TYR HB2 0.000 . 3.300 2.140 2.113 2.185 . 0 0 "[ . 1 . 2]" 1
291 1 14 TYR H 1 14 TYR QB 0.000 . 2.980 2.118 2.092 2.161 . 0 0 "[ . 1 . 2]" 1
292 1 14 TYR H 1 14 TYR HB3 0.000 . 3.300 3.379 3.357 3.418 0.118 6 0 "[ . 1 . 2]" 1
293 1 14 TYR H 1 14 TYR QE 0.000 . 5.600 5.001 4.633 5.169 . 0 0 "[ . 1 . 2]" 1
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