NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
616404 |
5lo2   |
34031 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lo2
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 392
_Distance_constraint_stats_list.Viol_count 190
_Distance_constraint_stats_list.Viol_total 1003.112
_Distance_constraint_stats_list.Viol_max 1.833
_Distance_constraint_stats_list.Viol_rms 0.0580
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.2640
_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 PRO 0.698 0.468 5 0 "[ . 1 . 2]"
1 3 PRO 3.575 0.394 7 0 "[ . 1 . 2]"
1 4 THR 0.034 0.034 5 0 "[ . 1 . 2]"
1 5 LYS 0.240 0.062 7 0 "[ . 1 . 2]"
1 6 PRO 5.922 0.684 11 3 "[ . *+ - 2]"
1 7 THR 16.602 0.717 16 20 [***************+-***]
1 8 LYS 12.622 0.717 16 20 [***************+-***]
1 9 PRO 8.204 1.833 3 7 "[**+ * *1 -.* 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 9.198 1.833 3 7 "[**+ * *1 -.* 2]"
1 13 ALA 3.184 0.405 1 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.202 0.202 4 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.202 0.202 4 0 "[ . 1 . 2]"
1 21 TYR 6.408 0.684 11 3 "[ . *+ - 2]"
1 22 GLN 2.915 0.573 10 1 "[ . + . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 4.960 0.769 18 6 "[ * 1 -** + *]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 TYR 3.539 0.228 5 0 "[ . 1 . 2]"
1 29 GLN 7.488 0.769 18 6 "[ * 1 -** + *]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 4.535 0.394 7 0 "[ . 1 . 2]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 TYR 0.698 0.468 5 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 PRO HA 1 2 PRO HB3 2.485 . 3.257 2.289 2.282 2.310 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 3 PRO HD2 2.420 . 3.152 2.096 2.038 2.232 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO HA 1 3 PRO HD3 2.385 . 3.096 2.416 2.320 2.486 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO HA 1 35 TYR QD 3.017 . 4.154 2.994 2.376 3.511 . 0 0 "[ . 1 . 2]" 1
5 1 2 PRO HA 1 35 TYR QE 2.929 . 4.002 3.256 2.921 3.572 . 0 0 "[ . 1 . 2]" 1
6 1 2 PRO HB2 1 35 TYR QE 4.122 . 6.246 4.307 4.154 4.432 . 0 0 "[ . 1 . 2]" 1
7 1 2 PRO HB3 1 2 PRO HD3 3.430 . 4.901 2.664 2.641 2.697 . 0 0 "[ . 1 . 2]" 1
8 1 2 PRO HB3 1 35 TYR QD 3.438 . 4.915 3.798 3.320 4.103 . 0 0 "[ . 1 . 2]" 1
9 1 2 PRO HB3 1 35 TYR QE 3.653 2.410 4.896 2.903 2.639 3.125 . 0 0 "[ . 1 . 2]" 1
10 1 2 PRO HD2 1 2 PRO HG2 2.718 . 3.642 2.329 2.305 2.337 . 0 0 "[ . 1 . 2]" 1
11 1 2 PRO HD2 1 35 TYR QE 3.809 2.681 4.937 4.443 3.815 5.405 0.468 5 0 "[ . 1 . 2]" 1
12 1 2 PRO HD3 1 2 PRO HG3 2.842 . 3.851 2.319 2.295 2.330 . 0 0 "[ . 1 . 2]" 1
13 1 2 PRO HD3 1 35 TYR QD 4.002 2.720 5.284 3.868 3.656 4.161 . 0 0 "[ . 1 . 2]" 1
14 1 2 PRO HG3 1 35 TYR QE 3.932 . 5.865 3.718 2.011 4.352 . 0 0 "[ . 1 . 2]" 1
15 1 3 PRO HA 1 3 PRO HB3 2.556 . 3.373 2.295 2.278 2.320 . 0 0 "[ . 1 . 2]" 1
16 1 3 PRO HA 1 4 THR H 2.181 . 2.776 2.189 2.148 2.252 . 0 0 "[ . 1 . 2]" 1
17 1 3 PRO HB2 1 4 THR H 3.351 . 4.755 3.327 3.043 3.642 . 0 0 "[ . 1 . 2]" 1
18 1 3 PRO HB2 1 28 TYR QD 2.543 . 3.351 2.374 2.181 2.526 . 0 0 "[ . 1 . 2]" 1
19 1 3 PRO HB2 1 28 TYR QE 2.938 . 4.017 2.850 2.619 3.025 . 0 0 "[ . 1 . 2]" 1
20 1 3 PRO HB3 1 4 THR H 3.785 . 5.576 3.807 3.610 4.099 . 0 0 "[ . 1 . 2]" 1
21 1 3 PRO HB3 1 28 TYR QD 3.646 . 5.308 3.926 3.713 4.103 . 0 0 "[ . 1 . 2]" 1
22 1 3 PRO HD2 1 3 PRO HG2 2.860 . 3.882 2.320 2.308 2.334 . 0 0 "[ . 1 . 2]" 1
23 1 3 PRO HD2 1 3 PRO HG3 2.890 . 3.934 2.694 2.672 2.735 . 0 0 "[ . 1 . 2]" 1
24 1 3 PRO HD2 1 32 LEU QD 3.905 2.850 4.960 3.290 2.456 3.787 0.394 7 0 "[ . 1 . 2]" 1
25 1 3 PRO HD3 1 3 PRO HG2 2.752 . 3.698 2.996 2.982 3.007 . 0 0 "[ . 1 . 2]" 1
26 1 3 PRO HD3 1 3 PRO HG3 2.883 . 3.922 2.311 2.293 2.327 . 0 0 "[ . 1 . 2]" 1
27 1 3 PRO HD3 1 28 TYR QE 3.521 . 5.070 4.247 4.206 4.288 . 0 0 "[ . 1 . 2]" 1
28 1 3 PRO HD3 1 35 TYR QE 3.275 . 4.615 3.762 3.680 3.814 . 0 0 "[ . 1 . 2]" 1
29 1 3 PRO HG2 1 28 TYR QE 3.124 . 4.344 2.988 2.752 3.386 . 0 0 "[ . 1 . 2]" 1
30 1 3 PRO HG2 1 32 LEU QD 3.344 2.657 4.031 2.620 2.315 3.029 0.342 20 0 "[ . 1 . 2]" 1
31 1 3 PRO HG3 1 32 LEU HA 3.293 . 4.648 2.267 1.850 2.657 0.088 4 0 "[ . 1 . 2]" 1
32 1 4 THR H 1 4 THR HA 2.969 . 4.071 2.893 2.824 2.932 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR H 1 4 THR HB 2.571 . 3.397 2.567 2.462 2.635 . 0 0 "[ . 1 . 2]" 1
34 1 4 THR H 1 4 THR MG 3.330 . 4.717 3.779 3.746 3.815 . 0 0 "[ . 1 . 2]" 1
35 1 4 THR HA 1 4 THR HB 2.749 . 3.693 3.020 3.013 3.025 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR HA 1 4 THR MG 2.130 . 2.697 2.340 2.294 2.406 . 0 0 "[ . 1 . 2]" 1
37 1 4 THR HA 1 5 LYS H 2.103 . 2.656 2.175 2.119 2.263 . 0 0 "[ . 1 . 2]" 1
38 1 4 THR HA 1 28 TYR QE 3.654 . 5.323 3.640 3.147 4.446 . 0 0 "[ . 1 . 2]" 1
39 1 4 THR HB 1 4 THR MG 1.924 . 2.387 2.133 2.131 2.136 . 0 0 "[ . 1 . 2]" 1
40 1 4 THR HB 1 28 TYR QD 3.457 . 4.951 3.826 3.677 4.015 . 0 0 "[ . 1 . 2]" 1
41 1 4 THR MG 1 5 LYS H 2.298 . 2.958 2.573 2.302 2.992 0.034 5 0 "[ . 1 . 2]" 1
42 1 5 LYS H 1 5 LYS HA 2.914 . 3.975 2.822 2.780 2.863 . 0 0 "[ . 1 . 2]" 1
43 1 5 LYS H 1 5 LYS HB2 2.699 . 3.610 2.460 2.374 2.515 . 0 0 "[ . 1 . 2]" 1
44 1 5 LYS H 1 5 LYS HB3 2.726 . 3.655 3.589 3.570 3.604 . 0 0 "[ . 1 . 2]" 1
45 1 5 LYS H 1 5 LYS HD2 4.720 . 7.505 4.396 3.798 4.865 . 0 0 "[ . 1 . 2]" 1
46 1 5 LYS H 1 5 LYS HG2 3.172 . 4.429 3.448 3.316 3.653 . 0 0 "[ . 1 . 2]" 1
47 1 5 LYS H 1 28 TYR QE 3.326 . 4.709 3.391 3.142 3.569 . 0 0 "[ . 1 . 2]" 1
48 1 5 LYS HA 1 5 LYS HD2 3.501 2.220 4.782 4.545 4.209 4.844 0.062 7 0 "[ . 1 . 2]" 1
49 1 5 LYS HA 1 5 LYS HG2 3.404 . 4.853 2.541 2.460 2.638 . 0 0 "[ . 1 . 2]" 1
50 1 5 LYS HA 1 5 LYS HG3 3.309 2.522 4.096 3.062 2.906 3.188 . 0 0 "[ . 1 . 2]" 1
51 1 5 LYS HA 1 28 TYR QD 2.644 . 3.518 2.934 2.547 3.308 . 0 0 "[ . 1 . 2]" 1
52 1 5 LYS HA 1 28 TYR QE 3.029 . 4.176 3.130 2.793 3.514 . 0 0 "[ . 1 . 2]" 1
53 1 5 LYS HB3 1 5 LYS HG2 2.809 . 3.795 2.443 2.371 2.504 . 0 0 "[ . 1 . 2]" 1
54 1 5 LYS HD2 1 5 LYS HG2 2.540 . 3.346 2.707 2.422 3.014 . 0 0 "[ . 1 . 2]" 1
55 1 5 LYS HD2 1 28 TYR QE 4.085 2.736 5.434 4.872 4.306 5.485 0.051 13 0 "[ . 1 . 2]" 1
56 1 6 PRO HA 1 6 PRO HB2 2.562 . 3.382 2.840 2.754 2.969 . 0 0 "[ . 1 . 2]" 1
57 1 6 PRO HA 1 6 PRO HB3 2.700 . 3.611 2.277 2.268 2.290 . 0 0 "[ . 1 . 2]" 1
58 1 6 PRO HA 1 7 THR H 2.120 . 2.682 2.120 2.104 2.141 . 0 0 "[ . 1 . 2]" 1
59 1 6 PRO HB2 1 7 THR H 3.826 . 5.656 3.781 3.557 4.120 . 0 0 "[ . 1 . 2]" 1
60 1 6 PRO HB3 1 7 THR H 3.449 . 4.936 3.871 3.452 4.157 . 0 0 "[ . 1 . 2]" 1
61 1 6 PRO HB3 1 21 TYR QD 2.863 . 3.888 4.002 3.388 4.416 0.528 10 1 "[ . + . 2]" 1
62 1 6 PRO HD2 1 6 PRO HG3 2.379 . 3.086 2.778 2.669 2.997 . 0 0 "[ . 1 . 2]" 1
63 1 6 PRO HD3 1 6 PRO HG2 2.629 . 3.493 2.635 2.520 2.689 . 0 0 "[ . 1 . 2]" 1
64 1 6 PRO HD3 1 28 TYR QD 3.373 . 4.795 3.378 3.027 3.724 . 0 0 "[ . 1 . 2]" 1
65 1 6 PRO HG3 1 21 TYR QD 3.356 . 4.764 4.721 4.199 5.448 0.684 11 2 "[ . 1+ - 2]" 1
66 1 7 THR H 1 7 THR HA 2.676 . 3.571 2.871 2.851 2.878 . 0 0 "[ . 1 . 2]" 1
67 1 7 THR H 1 7 THR HB 2.435 . 3.176 2.626 2.570 2.715 . 0 0 "[ . 1 . 2]" 1
68 1 7 THR H 1 7 THR MG 2.825 2.028 3.622 3.753 3.741 3.764 0.142 6 0 "[ . 1 . 2]" 1
69 1 7 THR HA 1 7 THR HB 2.284 . 2.936 3.012 3.001 3.018 0.082 11 0 "[ . 1 . 2]" 1
70 1 7 THR HA 1 7 THR MG 2.447 . 3.195 2.298 2.260 2.337 . 0 0 "[ . 1 . 2]" 1
71 1 7 THR HA 1 8 LYS H 2.802 2.150 3.454 3.356 3.253 3.424 . 0 0 "[ . 1 . 2]" 1
72 1 7 THR HB 1 7 THR MG 1.873 . 2.312 2.134 2.132 2.137 . 0 0 "[ . 1 . 2]" 1
73 1 7 THR HB 1 8 LYS H 3.049 . 4.211 3.223 3.040 3.517 . 0 0 "[ . 1 . 2]" 1
74 1 7 THR MG 1 8 LYS H 2.823 2.205 3.441 4.064 3.986 4.158 0.717 16 20 [***************+-***] 1
75 1 8 LYS H 1 8 LYS HA 2.799 . 3.779 2.807 2.773 2.844 . 0 0 "[ . 1 . 2]" 1
76 1 8 LYS H 1 8 LYS HB2 2.466 . 3.226 2.520 2.310 2.712 . 0 0 "[ . 1 . 2]" 1
77 1 8 LYS H 1 8 LYS HB3 3.083 . 4.271 3.571 3.550 3.597 . 0 0 "[ . 1 . 2]" 1
78 1 8 LYS H 1 8 LYS HG2 4.260 . 6.528 3.160 2.010 3.749 . 0 0 "[ . 1 . 2]" 1
79 1 8 LYS H 1 8 LYS HG3 3.207 . 4.492 2.346 1.889 3.647 0.033 17 0 "[ . 1 . 2]" 1
80 1 8 LYS HA 1 8 LYS HB2 2.873 . 3.905 3.020 3.005 3.029 . 0 0 "[ . 1 . 2]" 1
81 1 8 LYS HA 1 8 LYS HB2 2.849 . 3.864 2.833 1.994 2.985 . 0 0 "[ . 1 . 2]" 1
82 1 8 LYS HA 1 8 LYS HB3 2.737 . 3.673 2.466 2.386 2.592 . 0 0 "[ . 1 . 2]" 1
83 1 8 LYS HA 1 8 LYS HG2 2.997 . 4.120 2.690 2.426 3.184 . 0 0 "[ . 1 . 2]" 1
84 1 8 LYS HA 1 8 LYS HG3 3.196 . 4.473 3.197 2.896 3.824 . 0 0 "[ . 1 . 2]" 1
85 1 8 LYS HA 1 9 PRO HD3 2.451 . 3.202 2.373 2.032 2.544 . 0 0 "[ . 1 . 2]" 1
86 1 8 LYS QD 1 8 LYS HE3 2.511 . 3.299 2.253 2.168 2.375 . 0 0 "[ . 1 . 2]" 1
87 1 8 LYS HE2 1 8 LYS HG2 3.537 . 5.101 3.514 3.071 3.748 . 0 0 "[ . 1 . 2]" 1
88 1 8 LYS HE2 1 8 LYS HG3 4.162 . 6.327 3.099 2.478 3.751 . 0 0 "[ . 1 . 2]" 1
89 1 8 LYS HE3 1 8 LYS HG2 3.038 . 4.192 3.272 2.499 4.237 0.045 1 0 "[ . 1 . 2]" 1
90 1 8 LYS HE3 1 8 LYS HG3 3.007 . 4.138 3.408 2.991 3.746 . 0 0 "[ . 1 . 2]" 1
91 1 9 PRO HA 1 10 GLY H 2.171 . 2.760 2.151 2.116 2.197 . 0 0 "[ . 1 . 2]" 1
92 1 9 PRO QB 1 9 PRO HD3 3.307 . 4.674 2.938 2.835 3.518 . 0 0 "[ . 1 . 2]" 1
93 1 9 PRO QB 1 10 GLY H 3.342 . 4.739 3.233 3.018 3.430 . 0 0 "[ . 1 . 2]" 1
94 1 9 PRO QB 1 12 ASN QD 4.051 2.562 5.540 5.151 2.327 7.373 1.833 3 7 "[**+ * *1 -.* 2]" 1
95 1 9 PRO HD3 1 9 PRO HG3 2.992 . 4.111 2.314 2.289 2.331 . 0 0 "[ . 1 . 2]" 1
96 1 10 GLY H 1 10 GLY HA2 2.734 . 3.668 2.934 2.880 2.950 . 0 0 "[ . 1 . 2]" 1
97 1 10 GLY H 1 10 GLY HA3 2.543 . 3.352 2.565 2.423 2.699 . 0 0 "[ . 1 . 2]" 1
98 1 10 GLY H 1 13 ALA MB 3.991 2.872 5.110 4.034 3.515 4.756 . 0 0 "[ . 1 . 2]" 1
99 1 10 GLY HA2 1 11 ASP H 2.742 . 3.682 3.164 2.847 3.490 . 0 0 "[ . 1 . 2]" 1
100 1 10 GLY HA3 1 11 ASP H 2.722 . 3.648 3.304 2.924 3.489 . 0 0 "[ . 1 . 2]" 1
101 1 11 ASP H 1 11 ASP HA 2.872 . 3.903 2.928 2.850 2.946 . 0 0 "[ . 1 . 2]" 1
102 1 11 ASP H 1 11 ASP HB2 2.623 . 3.483 2.578 2.456 2.737 . 0 0 "[ . 1 . 2]" 1
103 1 11 ASP H 1 11 ASP HB3 2.873 . 3.905 3.726 3.614 3.828 . 0 0 "[ . 1 . 2]" 1
104 1 11 ASP HA 1 11 ASP HB3 2.598 . 3.441 2.493 2.446 2.568 . 0 0 "[ . 1 . 2]" 1
105 1 11 ASP HA 1 12 ASN H 2.909 . 3.967 3.480 2.329 3.567 . 0 0 "[ . 1 . 2]" 1
106 1 12 ASN H 1 12 ASN HA 2.744 . 3.685 2.896 2.274 2.950 . 0 0 "[ . 1 . 2]" 1
107 1 12 ASN H 1 12 ASN HB2 2.911 . 3.970 3.294 2.472 3.775 . 0 0 "[ . 1 . 2]" 1
108 1 12 ASN H 1 12 ASN QB 2.854 . 3.872 2.683 2.320 3.289 . 0 0 "[ . 1 . 2]" 1
109 1 12 ASN H 1 13 ALA H 2.817 . 3.809 2.993 2.333 4.075 0.266 1 0 "[ . 1 . 2]" 1
110 1 12 ASN HA 1 12 ASN QB 2.309 . 2.976 2.288 2.183 2.419 . 0 0 "[ . 1 . 2]" 1
111 1 12 ASN HA 1 13 ALA H 2.730 . 3.661 2.757 2.123 3.220 . 0 0 "[ . 1 . 2]" 1
112 1 12 ASN QB 1 12 ASN QD 2.454 . 3.207 2.160 2.115 2.226 . 0 0 "[ . 1 . 2]" 1
113 1 12 ASN QB 1 13 ALA H 3.613 . 5.245 3.901 3.690 4.036 . 0 0 "[ . 1 . 2]" 1
114 1 12 ASN QD 1 13 ALA H 3.892 . 5.786 4.063 3.679 4.440 . 0 0 "[ . 1 . 2]" 1
115 1 13 ALA H 1 13 ALA HA 2.654 . 3.534 2.870 2.816 2.940 . 0 0 "[ . 1 . 2]" 1
116 1 13 ALA H 1 13 ALA MB 1.947 . 2.421 2.435 2.211 2.826 0.405 1 0 "[ . 1 . 2]" 1
117 1 13 ALA HA 1 13 ALA MB 1.988 . 2.482 2.124 2.115 2.132 . 0 0 "[ . 1 . 2]" 1
118 1 13 ALA HA 1 14 THR H 2.141 . 2.714 2.355 2.208 2.496 . 0 0 "[ . 1 . 2]" 1
119 1 13 ALA HA 1 14 THR MG 3.398 . 4.841 3.716 3.586 3.824 . 0 0 "[ . 1 . 2]" 1
120 1 13 ALA MB 1 14 THR H 2.350 . 3.040 2.452 2.206 2.825 . 0 0 "[ . 1 . 2]" 1
121 1 13 ALA MB 1 17 LYS HB3 3.427 . 4.895 2.276 2.104 2.422 . 0 0 "[ . 1 . 2]" 1
122 1 13 ALA MB 1 18 LEU H 3.338 . 4.730 3.373 3.230 3.562 . 0 0 "[ . 1 . 2]" 1
123 1 14 THR H 1 14 THR HA 2.638 . 3.508 2.837 2.810 2.876 . 0 0 "[ . 1 . 2]" 1
124 1 14 THR H 1 14 THR MG 2.018 . 2.527 2.282 2.182 2.348 . 0 0 "[ . 1 . 2]" 1
125 1 14 THR H 1 17 LYS HB2 3.993 2.874 5.112 3.584 3.386 3.948 . 0 0 "[ . 1 . 2]" 1
126 1 14 THR H 1 17 LYS HB3 3.105 . 4.310 2.820 2.600 2.972 . 0 0 "[ . 1 . 2]" 1
127 1 14 THR HA 1 14 THR HB 2.747 . 3.691 2.499 2.467 2.518 . 0 0 "[ . 1 . 2]" 1
128 1 14 THR HA 1 14 THR MG 1.994 . 2.491 2.302 2.273 2.340 . 0 0 "[ . 1 . 2]" 1
129 1 14 THR HA 1 15 PRO HB3 4.120 . 6.241 4.626 4.571 4.666 . 0 0 "[ . 1 . 2]" 1
130 1 14 THR HA 1 15 PRO HD2 2.651 . 3.529 2.285 2.212 2.362 . 0 0 "[ . 1 . 2]" 1
131 1 14 THR HA 1 15 PRO HD3 2.116 . 2.676 2.539 2.481 2.597 . 0 0 "[ . 1 . 2]" 1
132 1 14 THR HA 1 15 PRO HG2 4.246 . 6.499 4.096 4.023 4.183 . 0 0 "[ . 1 . 2]" 1
133 1 14 THR HA 1 15 PRO HG3 4.236 . 6.478 4.584 4.526 4.638 . 0 0 "[ . 1 . 2]" 1
134 1 14 THR HA 1 16 GLU H 3.682 . 5.376 4.222 4.040 4.373 . 0 0 "[ . 1 . 2]" 1
135 1 14 THR HB 1 14 THR MG 1.963 . 2.445 2.129 2.126 2.132 . 0 0 "[ . 1 . 2]" 1
136 1 14 THR HB 1 15 PRO HD2 2.467 . 3.228 2.056 1.960 2.174 . 0 0 "[ . 1 . 2]" 1
137 1 14 THR HB 1 15 PRO HD3 3.100 . 4.301 3.622 3.527 3.728 . 0 0 "[ . 1 . 2]" 1
138 1 14 THR HB 1 16 GLU H 2.695 . 3.603 2.763 2.608 2.873 . 0 0 "[ . 1 . 2]" 1
139 1 14 THR MG 1 15 PRO HD2 3.155 . 4.399 2.958 2.861 3.109 . 0 0 "[ . 1 . 2]" 1
140 1 14 THR MG 1 15 PRO HD3 3.261 . 4.591 3.954 3.876 4.085 . 0 0 "[ . 1 . 2]" 1
141 1 15 PRO HA 1 15 PRO HB3 2.666 . 3.555 2.290 2.284 2.299 . 0 0 "[ . 1 . 2]" 1
142 1 15 PRO HA 1 15 PRO HG2 3.468 . 4.971 3.875 3.866 3.884 . 0 0 "[ . 1 . 2]" 1
143 1 15 PRO HA 1 15 PRO HG3 3.050 . 4.213 3.950 3.929 3.971 . 0 0 "[ . 1 . 2]" 1
144 1 15 PRO HA 1 18 LEU H 2.441 . 3.186 2.687 2.661 2.705 . 0 0 "[ . 1 . 2]" 1
145 1 15 PRO HA 1 18 LEU HB2 2.730 . 3.662 2.408 2.058 2.607 . 0 0 "[ . 1 . 2]" 1
146 1 15 PRO HA 1 18 LEU HB3 3.057 . 4.225 3.965 3.594 4.151 . 0 0 "[ . 1 . 2]" 1
147 1 15 PRO HA 1 18 LEU MD1 2.353 . 3.045 2.452 2.143 2.730 . 0 0 "[ . 1 . 2]" 1
148 1 15 PRO HB2 1 15 PRO HD2 3.330 . 4.716 4.038 4.027 4.049 . 0 0 "[ . 1 . 2]" 1
149 1 15 PRO HB2 1 15 PRO HD3 3.914 . 5.829 3.880 3.868 3.890 . 0 0 "[ . 1 . 2]" 1
150 1 15 PRO HB2 1 16 GLU H 2.903 . 3.957 3.137 3.021 3.255 . 0 0 "[ . 1 . 2]" 1
151 1 15 PRO HB2 1 16 GLU HA 3.439 . 4.917 4.043 3.960 4.132 . 0 0 "[ . 1 . 2]" 1
152 1 15 PRO HB3 1 15 PRO HD2 3.864 . 5.731 3.876 3.864 3.889 . 0 0 "[ . 1 . 2]" 1
153 1 15 PRO HB3 1 15 PRO HD2 3.696 . 5.403 3.753 3.722 3.780 . 0 0 "[ . 1 . 2]" 1
154 1 15 PRO HB3 1 15 PRO HD3 4.147 . 6.297 2.946 2.920 2.974 . 0 0 "[ . 1 . 2]" 1
155 1 15 PRO HB3 1 15 PRO HG3 2.485 . 3.257 2.275 2.269 2.282 . 0 0 "[ . 1 . 2]" 1
156 1 15 PRO HD2 1 15 PRO HG2 2.805 . 3.789 2.336 2.332 2.341 . 0 0 "[ . 1 . 2]" 1
157 1 15 PRO HD2 1 16 GLU H 2.999 . 4.124 3.035 2.947 3.141 . 0 0 "[ . 1 . 2]" 1
158 1 15 PRO HD3 1 15 PRO HG3 2.612 . 3.465 2.322 2.318 2.325 . 0 0 "[ . 1 . 2]" 1
159 1 15 PRO HD3 1 16 GLU H 3.892 . 5.785 4.040 3.973 4.101 . 0 0 "[ . 1 . 2]" 1
160 1 16 GLU H 1 16 GLU HA 2.564 . 3.386 2.820 2.809 2.833 . 0 0 "[ . 1 . 2]" 1
161 1 16 GLU H 1 16 GLU HB2 2.502 . 3.284 2.543 2.477 2.611 . 0 0 "[ . 1 . 2]" 1
162 1 16 GLU H 1 16 GLU HB3 2.720 . 3.645 2.482 2.412 2.535 . 0 0 "[ . 1 . 2]" 1
163 1 16 GLU H 1 16 GLU HG3 4.406 . 6.833 4.467 4.425 4.490 . 0 0 "[ . 1 . 2]" 1
164 1 16 GLU H 1 17 LYS H 2.624 . 3.484 2.608 2.552 2.663 . 0 0 "[ . 1 . 2]" 1
165 1 16 GLU HA 1 16 GLU HB2 2.556 . 3.373 2.408 2.377 2.453 . 0 0 "[ . 1 . 2]" 1
166 1 16 GLU HA 1 16 GLU HB3 2.609 . 3.460 3.022 3.015 3.025 . 0 0 "[ . 1 . 2]" 1
167 1 16 GLU HA 1 16 GLU HG2 2.899 . 3.950 3.089 2.949 3.207 . 0 0 "[ . 1 . 2]" 1
168 1 16 GLU HA 1 16 GLU HG3 2.673 . 3.566 2.620 2.517 2.698 . 0 0 "[ . 1 . 2]" 1
169 1 16 GLU HA 1 17 LYS H 2.548 . 3.360 2.738 2.723 2.752 . 0 0 "[ . 1 . 2]" 1
170 1 16 GLU HA 1 19 ALA MB 3.013 . 4.102 2.934 2.730 3.180 . 0 0 "[ . 1 . 2]" 1
171 1 16 GLU HB2 1 16 GLU HG3 2.940 . 4.020 2.417 2.369 2.467 . 0 0 "[ . 1 . 2]" 1
172 1 16 GLU HB3 1 17 LYS H 3.872 . 5.746 2.552 2.380 2.712 . 0 0 "[ . 1 . 2]" 1
173 1 17 LYS H 1 17 LYS HB2 2.765 . 3.721 2.508 2.376 2.600 . 0 0 "[ . 1 . 2]" 1
174 1 17 LYS H 1 17 LYS HB3 2.806 2.021 3.591 2.548 2.438 2.681 . 0 0 "[ . 1 . 2]" 1
175 1 17 LYS H 1 18 LEU H 2.442 . 3.187 2.478 2.400 2.568 . 0 0 "[ . 1 . 2]" 1
176 1 17 LYS HA 1 17 LYS HB2 2.702 . 3.615 2.507 2.439 2.579 . 0 0 "[ . 1 . 2]" 1
177 1 17 LYS HA 1 18 LEU H 2.592 . 3.432 2.609 2.602 2.618 . 0 0 "[ . 1 . 2]" 1
178 1 17 LYS HA 1 20 LYS H 2.860 . 3.882 3.316 3.159 3.556 . 0 0 "[ . 1 . 2]" 1
179 1 17 LYS HA 1 20 LYS HB3 2.744 . 3.685 3.103 2.667 3.887 0.202 4 0 "[ . 1 . 2]" 1
180 1 17 LYS HA 1 20 LYS HB3 2.491 . 3.266 2.557 2.414 2.792 . 0 0 "[ . 1 . 2]" 1
181 1 17 LYS HB2 1 18 LEU H 3.007 . 4.137 3.845 3.749 3.966 . 0 0 "[ . 1 . 2]" 1
182 1 18 LEU H 1 18 LEU HA 2.607 . 3.456 2.794 2.786 2.806 . 0 0 "[ . 1 . 2]" 1
183 1 18 LEU H 1 18 LEU HA 2.591 . 3.430 2.689 2.680 2.700 . 0 0 "[ . 1 . 2]" 1
184 1 18 LEU H 1 18 LEU HB2 2.381 . 3.090 2.265 2.230 2.332 . 0 0 "[ . 1 . 2]" 1
185 1 18 LEU H 1 18 LEU HB3 2.876 2.110 3.642 3.572 3.563 3.586 . 0 0 "[ . 1 . 2]" 1
186 1 18 LEU H 1 18 LEU MD1 3.156 . 4.401 3.699 3.625 3.772 . 0 0 "[ . 1 . 2]" 1
187 1 18 LEU H 1 18 LEU MD1 3.364 . 4.779 3.571 3.497 3.644 . 0 0 "[ . 1 . 2]" 1
188 1 18 LEU H 1 18 LEU MD2 3.050 . 4.212 3.374 3.159 3.502 . 0 0 "[ . 1 . 2]" 1
189 1 18 LEU H 1 18 LEU MD2 3.225 . 4.525 3.300 3.108 3.412 . 0 0 "[ . 1 . 2]" 1
190 1 18 LEU HA 1 18 LEU HB3 2.657 . 3.539 2.533 2.492 2.555 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU HA 1 18 LEU MD1 2.965 . 4.064 3.810 3.786 3.827 . 0 0 "[ . 1 . 2]" 1
192 1 18 LEU HA 1 18 LEU MD2 2.029 . 2.544 1.961 1.928 1.999 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU HA 1 21 TYR H 2.741 . 3.680 2.654 2.582 2.701 . 0 0 "[ . 1 . 2]" 1
194 1 18 LEU HA 1 21 TYR HB3 2.784 . 3.753 2.196 2.066 2.435 . 0 0 "[ . 1 . 2]" 1
195 1 18 LEU HB2 1 18 LEU MD1 2.249 . 2.881 2.340 2.308 2.364 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU HB2 1 18 LEU MD2 2.944 . 4.027 3.190 3.187 3.195 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU HB3 1 18 LEU MD1 2.056 . 2.584 2.350 2.324 2.378 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU HB3 1 18 LEU MD2 1.988 . 2.482 2.373 2.341 2.401 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU MD1 1 22 GLN HE21 4.077 3.266 4.888 3.919 3.533 4.614 . 0 0 "[ . 1 . 2]" 1
200 1 19 ALA H 1 19 ALA HA 2.411 . 3.138 2.804 2.790 2.816 . 0 0 "[ . 1 . 2]" 1
201 1 19 ALA H 1 19 ALA MB 2.045 . 2.568 2.227 2.218 2.235 . 0 0 "[ . 1 . 2]" 1
202 1 19 ALA H 1 20 LYS H 2.465 . 3.224 2.659 2.622 2.724 . 0 0 "[ . 1 . 2]" 1
203 1 19 ALA HA 1 19 ALA MB 1.793 . 2.195 2.125 2.122 2.127 . 0 0 "[ . 1 . 2]" 1
204 1 19 ALA HA 1 20 LYS H 3.220 . 4.516 3.528 3.502 3.553 . 0 0 "[ . 1 . 2]" 1
205 1 19 ALA HA 1 22 GLN H 2.997 . 4.120 3.354 3.173 3.458 . 0 0 "[ . 1 . 2]" 1
206 1 19 ALA HA 1 22 GLN HB2 2.758 . 3.709 2.690 2.432 2.927 . 0 0 "[ . 1 . 2]" 1
207 1 19 ALA HA 1 22 GLN HB3 3.746 . 5.501 3.867 3.735 3.969 . 0 0 "[ . 1 . 2]" 1
208 1 19 ALA HA 1 22 GLN QG 3.133 . 4.360 3.216 2.850 3.550 . 0 0 "[ . 1 . 2]" 1
209 1 19 ALA MB 1 20 LYS H 2.446 . 3.194 2.504 2.416 2.637 . 0 0 "[ . 1 . 2]" 1
210 1 19 ALA MB 1 21 TYR H 3.250 . 4.570 3.356 3.266 3.455 . 0 0 "[ . 1 . 2]" 1
211 1 20 LYS H 1 20 LYS HA 2.582 . 3.415 2.840 2.817 2.864 . 0 0 "[ . 1 . 2]" 1
212 1 20 LYS H 1 20 LYS HB2 2.525 . 3.322 2.508 2.381 2.575 . 0 0 "[ . 1 . 2]" 1
213 1 20 LYS H 1 20 LYS HB3 2.525 . 3.322 2.547 2.478 2.683 . 0 0 "[ . 1 . 2]" 1
214 1 20 LYS H 1 21 TYR H 3.087 . 4.278 2.519 2.429 2.620 . 0 0 "[ . 1 . 2]" 1
215 1 20 LYS HA 1 20 LYS HB2 2.383 . 3.093 2.489 2.448 2.548 . 0 0 "[ . 1 . 2]" 1
216 1 20 LYS HA 1 20 LYS HB3 2.706 . 3.622 2.547 2.438 2.696 . 0 0 "[ . 1 . 2]" 1
217 1 20 LYS HA 1 20 LYS HG3 2.033 . 2.549 2.045 2.000 2.096 . 0 0 "[ . 1 . 2]" 1
218 1 20 LYS HA 1 21 TYR H 2.923 . 3.991 3.002 2.862 3.098 . 0 0 "[ . 1 . 2]" 1
219 1 20 LYS HA 1 23 ALA MB 2.462 . 3.220 2.543 2.299 2.779 . 0 0 "[ . 1 . 2]" 1
220 1 20 LYS HB3 1 21 TYR H 2.857 . 3.877 2.665 2.579 2.811 . 0 0 "[ . 1 . 2]" 1
221 1 21 TYR H 1 21 TYR HA 2.800 . 3.780 2.808 2.797 2.817 . 0 0 "[ . 1 . 2]" 1
222 1 21 TYR H 1 21 TYR HB2 2.389 . 3.103 2.595 2.498 2.679 . 0 0 "[ . 1 . 2]" 1
223 1 21 TYR H 1 21 TYR HB2 2.438 . 3.181 2.133 2.096 2.229 . 0 0 "[ . 1 . 2]" 1
224 1 21 TYR H 1 21 TYR HB3 2.545 . 3.355 2.443 2.358 2.535 . 0 0 "[ . 1 . 2]" 1
225 1 21 TYR H 1 21 TYR QD 3.060 . 4.230 3.737 3.721 3.769 . 0 0 "[ . 1 . 2]" 1
226 1 21 TYR H 1 22 GLN H 2.467 . 3.228 2.374 2.359 2.390 . 0 0 "[ . 1 . 2]" 1
227 1 21 TYR H 1 22 GLN HG3 3.910 . 5.821 3.920 3.798 4.248 . 0 0 "[ . 1 . 2]" 1
228 1 21 TYR HA 1 21 TYR HB2 2.576 . 3.405 2.426 2.382 2.471 . 0 0 "[ . 1 . 2]" 1
229 1 21 TYR HA 1 21 TYR QD 2.829 . 3.830 2.763 2.639 2.867 . 0 0 "[ . 1 . 2]" 1
230 1 21 TYR HA 1 24 ASP H 3.382 . 4.812 3.385 3.230 3.491 . 0 0 "[ . 1 . 2]" 1
231 1 21 TYR HA 1 24 ASP HB3 3.064 . 4.238 2.972 2.767 3.263 . 0 0 "[ . 1 . 2]" 1
232 1 21 TYR HB2 1 21 TYR QD 2.262 . 2.902 2.021 2.004 2.044 . 0 0 "[ . 1 . 2]" 1
233 1 21 TYR HB2 1 22 GLN H 3.640 . 5.296 3.888 3.810 3.971 . 0 0 "[ . 1 . 2]" 1
234 1 21 TYR HB3 1 21 TYR QD 2.638 . 3.508 2.332 2.299 2.367 . 0 0 "[ . 1 . 2]" 1
235 1 21 TYR HB3 1 22 GLN H 2.851 . 3.867 2.551 2.452 2.632 . 0 0 "[ . 1 . 2]" 1
236 1 21 TYR QD 1 22 GLN H 3.438 . 4.915 3.382 3.231 3.521 . 0 0 "[ . 1 . 2]" 1
237 1 21 TYR QD 1 22 GLN HG3 3.273 . 4.612 3.519 2.874 4.851 0.239 11 0 "[ . 1 . 2]" 1
238 1 21 TYR QD 1 25 LEU QD 4.020 2.955 5.085 4.440 3.543 4.907 . 0 0 "[ . 1 . 2]" 1
239 1 22 GLN H 1 22 GLN HA 2.705 . 3.620 2.812 2.803 2.827 . 0 0 "[ . 1 . 2]" 1
240 1 22 GLN H 1 22 GLN HB2 2.576 . 3.406 2.429 2.376 2.481 . 0 0 "[ . 1 . 2]" 1
241 1 22 GLN H 1 22 GLN HB3 3.268 . 4.603 3.583 3.571 3.598 . 0 0 "[ . 1 . 2]" 1
242 1 22 GLN H 1 22 GLN HG3 2.486 . 3.258 2.660 2.232 3.831 0.573 10 1 "[ . + . 2]" 1
243 1 22 GLN HA 1 22 GLN HB2 2.963 . 4.060 3.018 3.005 3.023 . 0 0 "[ . 1 . 2]" 1
244 1 22 GLN HA 1 22 GLN HB3 2.478 . 3.246 2.514 2.490 2.548 . 0 0 "[ . 1 . 2]" 1
245 1 22 GLN HA 1 22 GLN QG 2.649 . 3.526 2.530 2.382 2.949 . 0 0 "[ . 1 . 2]" 1
246 1 22 GLN HA 1 23 ALA H 3.327 . 4.711 3.505 3.467 3.528 . 0 0 "[ . 1 . 2]" 1
247 1 22 GLN HA 1 25 LEU H 3.181 . 4.446 3.348 3.103 3.561 . 0 0 "[ . 1 . 2]" 1
248 1 22 GLN HA 1 25 LEU HB3 2.637 . 3.506 2.359 2.064 2.517 . 0 0 "[ . 1 . 2]" 1
249 1 22 GLN HA 1 25 LEU QD 3.207 . 4.492 3.530 2.956 3.754 . 0 0 "[ . 1 . 2]" 1
250 1 22 GLN HA 1 26 ALA H 3.610 . 5.239 3.822 3.630 3.955 . 0 0 "[ . 1 . 2]" 1
251 1 22 GLN HB2 1 22 GLN QG 2.454 . 3.207 2.315 2.162 2.413 . 0 0 "[ . 1 . 2]" 1
252 1 22 GLN HB2 1 23 ALA H 2.977 . 4.085 2.763 2.659 2.965 . 0 0 "[ . 1 . 2]" 1
253 1 22 GLN HB3 1 22 GLN QG 2.529 . 3.328 2.320 2.269 2.352 . 0 0 "[ . 1 . 2]" 1
254 1 22 GLN HB3 1 23 ALA H 3.559 . 5.142 3.686 3.573 3.774 . 0 0 "[ . 1 . 2]" 1
255 1 22 GLN HE21 1 22 GLN QG 2.564 . 3.386 2.180 2.168 2.191 . 0 0 "[ . 1 . 2]" 1
256 1 23 ALA H 1 23 ALA HA 2.524 . 3.320 2.826 2.808 2.846 . 0 0 "[ . 1 . 2]" 1
257 1 23 ALA H 1 23 ALA MB 1.930 . 2.395 2.226 2.217 2.236 . 0 0 "[ . 1 . 2]" 1
258 1 23 ALA H 1 24 ASP H 2.482 . 3.252 2.592 2.539 2.688 . 0 0 "[ . 1 . 2]" 1
259 1 23 ALA HA 1 23 ALA MB 1.881 . 2.323 2.129 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
260 1 23 ALA HA 1 24 ASP H 3.215 . 4.507 3.522 3.499 3.542 . 0 0 "[ . 1 . 2]" 1
261 1 23 ALA HA 1 26 ALA H 3.049 . 4.211 3.451 3.315 3.725 . 0 0 "[ . 1 . 2]" 1
262 1 23 ALA MB 1 24 ASP H 2.346 . 3.034 2.549 2.442 2.640 . 0 0 "[ . 1 . 2]" 1
263 1 24 ASP H 1 24 ASP HA 2.741 . 3.680 2.867 2.847 2.895 . 0 0 "[ . 1 . 2]" 1
264 1 24 ASP H 1 24 ASP HB2 3.241 . 4.554 2.511 2.420 2.715 . 0 0 "[ . 1 . 2]" 1
265 1 24 ASP H 1 24 ASP HB3 2.686 . 3.588 2.620 2.448 2.706 . 0 0 "[ . 1 . 2]" 1
266 1 24 ASP HA 1 26 ALA MB 3.083 . 4.271 3.303 3.168 3.489 . 0 0 "[ . 1 . 2]" 1
267 1 24 ASP HA 1 27 LYS H 3.196 . 4.472 3.173 2.979 3.353 . 0 0 "[ . 1 . 2]" 1
268 1 24 ASP HA 1 27 LYS HB2 3.363 . 4.777 3.127 2.803 3.477 . 0 0 "[ . 1 . 2]" 1
269 1 24 ASP HA 1 27 LYS HB3 3.009 . 4.140 2.722 2.468 3.115 . 0 0 "[ . 1 . 2]" 1
270 1 25 LEU H 1 25 LEU HA 2.790 . 3.763 2.821 2.806 2.832 . 0 0 "[ . 1 . 2]" 1
271 1 25 LEU H 1 25 LEU HB3 2.572 . 3.399 2.559 2.448 2.669 . 0 0 "[ . 1 . 2]" 1
272 1 25 LEU H 1 25 LEU QD 3.039 . 4.193 3.651 3.606 3.720 . 0 0 "[ . 1 . 2]" 1
273 1 25 LEU H 1 26 ALA H 2.604 . 3.452 2.623 2.576 2.665 . 0 0 "[ . 1 . 2]" 1
274 1 25 LEU HA 1 25 LEU QD 1.990 . 2.485 1.977 1.914 2.074 . 0 0 "[ . 1 . 2]" 1
275 1 25 LEU HA 1 28 TYR H 3.034 . 4.184 3.159 3.088 3.264 . 0 0 "[ . 1 . 2]" 1
276 1 25 LEU HA 1 28 TYR HB2 2.828 . 3.828 3.120 2.899 3.302 . 0 0 "[ . 1 . 2]" 1
277 1 25 LEU HA 1 28 TYR HB3 2.716 . 3.638 2.403 2.264 2.518 . 0 0 "[ . 1 . 2]" 1
278 1 25 LEU HB2 1 25 LEU QD 3.091 . 4.286 2.062 1.946 2.095 . 0 0 "[ . 1 . 2]" 1
279 1 25 LEU HB3 1 25 LEU QD 2.403 . 2.666 2.200 2.183 2.227 . 0 0 "[ . 1 . 2]" 1
280 1 25 LEU HB3 1 26 ALA H 2.834 . 3.701 2.631 2.516 2.716 . 0 0 "[ . 1 . 2]" 1
281 1 25 LEU QD 1 26 ALA H 3.312 2.101 4.181 3.323 3.094 3.918 . 0 0 "[ . 1 . 2]" 1
282 1 25 LEU QD 1 28 TYR H 3.459 . 4.954 3.828 3.685 4.224 . 0 0 "[ . 1 . 2]" 1
283 1 25 LEU QD 1 28 TYR HB3 2.843 . 3.853 2.221 2.082 2.455 . 0 0 "[ . 1 . 2]" 1
284 1 25 LEU QD 1 29 GLN H 3.013 . 4.148 3.326 3.191 3.908 . 0 0 "[ . 1 . 2]" 1
285 1 25 LEU QD 1 29 GLN HA 3.877 . 5.756 2.880 2.693 3.124 . 0 0 "[ . 1 . 2]" 1
286 1 25 LEU QD 1 29 GLN HE21 3.370 2.468 4.272 2.514 1.699 3.689 0.769 18 6 "[ * 1 -** + *]" 1
287 1 25 LEU QD 1 29 GLN HG2 3.382 . 4.812 3.097 2.783 3.536 . 0 0 "[ . 1 . 2]" 1
288 1 25 LEU QD 1 29 GLN HG3 2.548 . 3.360 2.215 2.016 3.162 . 0 0 "[ . 1 . 2]" 1
289 1 25 LEU QD 1 30 LYS H 3.390 . 4.826 3.783 3.695 3.908 . 0 0 "[ . 1 . 2]" 1
290 1 26 ALA H 1 26 ALA HA 2.602 . 3.448 2.801 2.795 2.810 . 0 0 "[ . 1 . 2]" 1
291 1 26 ALA H 1 26 ALA MB 1.957 . 2.436 2.221 2.215 2.229 . 0 0 "[ . 1 . 2]" 1
292 1 26 ALA H 1 27 LYS H 2.610 . 3.461 2.685 2.629 2.746 . 0 0 "[ . 1 . 2]" 1
293 1 26 ALA HA 1 29 GLN H 3.130 . 4.355 3.305 3.193 3.458 . 0 0 "[ . 1 . 2]" 1
294 1 26 ALA MB 1 27 LYS H 2.446 . 3.194 2.485 2.328 2.593 . 0 0 "[ . 1 . 2]" 1
295 1 26 ALA MB 1 28 TYR H 3.401 . 4.846 3.499 3.345 3.799 . 0 0 "[ . 1 . 2]" 1
296 1 26 ALA MB 1 29 GLN HG3 3.444 . 4.926 3.578 3.475 3.683 . 0 0 "[ . 1 . 2]" 1
297 1 27 LYS H 1 27 LYS HA 2.619 . 3.477 2.811 2.788 2.840 . 0 0 "[ . 1 . 2]" 1
298 1 27 LYS H 1 27 LYS HB2 2.631 . 3.496 2.523 2.434 2.666 . 0 0 "[ . 1 . 2]" 1
299 1 27 LYS H 1 27 LYS HB3 2.544 . 3.353 2.522 2.441 2.609 . 0 0 "[ . 1 . 2]" 1
300 1 27 LYS H 1 28 TYR H 2.600 . 3.445 2.638 2.551 2.695 . 0 0 "[ . 1 . 2]" 1
301 1 27 LYS HA 1 27 LYS HB2 2.303 . 2.966 2.465 2.415 2.510 . 0 0 "[ . 1 . 2]" 1
302 1 27 LYS HA 1 27 LYS HB2 2.230 . 2.852 2.193 2.172 2.226 . 0 0 "[ . 1 . 2]" 1
303 1 27 LYS HA 1 27 LYS QG 2.827 2.313 3.341 2.577 2.410 3.074 . 0 0 "[ . 1 . 2]" 1
304 1 27 LYS HA 1 27 LYS HG3 1.947 . 2.421 1.986 1.943 2.062 . 0 0 "[ . 1 . 2]" 1
305 1 27 LYS HA 1 31 ASP H 2.944 . 4.027 3.249 3.179 3.323 . 0 0 "[ . 1 . 2]" 1
306 1 27 LYS HA 1 30 LYS HB3 2.576 . 3.406 2.596 2.443 2.800 . 0 0 "[ . 1 . 2]" 1
307 1 27 LYS HB2 1 28 TYR H 3.813 . 5.630 3.842 3.770 3.946 . 0 0 "[ . 1 . 2]" 1
308 1 27 LYS HB3 1 28 TYR H 2.900 . 3.951 2.567 2.472 2.637 . 0 0 "[ . 1 . 2]" 1
309 1 28 TYR H 1 28 TYR HA 2.720 . 3.645 2.805 2.796 2.818 . 0 0 "[ . 1 . 2]" 1
310 1 28 TYR H 1 28 TYR HB2 2.624 . 3.485 2.632 2.521 2.721 . 0 0 "[ . 1 . 2]" 1
311 1 28 TYR H 1 28 TYR HB3 2.572 . 3.399 2.422 2.355 2.503 . 0 0 "[ . 1 . 2]" 1
312 1 28 TYR H 1 28 TYR QD 3.521 . 5.071 4.186 4.160 4.211 . 0 0 "[ . 1 . 2]" 1
313 1 28 TYR H 1 29 GLN H 2.835 . 3.839 2.700 2.669 2.758 . 0 0 "[ . 1 . 2]" 1
314 1 28 TYR HA 1 28 TYR HB3 2.751 . 3.697 3.022 3.012 3.027 . 0 0 "[ . 1 . 2]" 1
315 1 28 TYR HA 1 28 TYR QD 2.716 . 3.638 2.823 2.591 2.927 . 0 0 "[ . 1 . 2]" 1
316 1 28 TYR HA 1 31 ASP H 3.110 . 4.319 3.315 3.093 3.516 . 0 0 "[ . 1 . 2]" 1
317 1 28 TYR HB2 1 28 TYR QD 2.592 . 3.432 2.473 2.436 2.580 . 0 0 "[ . 1 . 2]" 1
318 1 28 TYR HB2 1 29 GLN H 2.818 . 3.811 3.937 3.874 4.013 0.202 3 0 "[ . 1 . 2]" 1
319 1 28 TYR HB3 1 28 TYR QD 2.483 . 3.253 2.346 2.289 2.372 . 0 0 "[ . 1 . 2]" 1
320 1 28 TYR HB3 1 29 GLN H 3.557 . 5.138 2.611 2.484 2.755 . 0 0 "[ . 1 . 2]" 1
321 1 28 TYR QD 1 29 GLN H 3.503 . 5.036 3.332 3.165 3.620 . 0 0 "[ . 1 . 2]" 1
322 1 28 TYR QD 1 29 GLN HA 3.382 . 4.812 3.401 3.168 3.766 . 0 0 "[ . 1 . 2]" 1
323 1 28 TYR QD 1 29 GLN HG3 3.686 . 5.385 3.050 2.814 3.266 . 0 0 "[ . 1 . 2]" 1
324 1 28 TYR QD 1 32 LEU QD 2.880 2.286 3.474 3.300 2.988 3.630 0.156 11 0 "[ . 1 . 2]" 1
325 1 28 TYR QE 1 32 LEU QD 2.810 2.264 3.356 2.283 2.036 2.524 0.228 5 0 "[ . 1 . 2]" 1
326 1 29 GLN H 1 29 GLN HA 2.700 . 3.611 2.806 2.794 2.816 . 0 0 "[ . 1 . 2]" 1
327 1 29 GLN H 1 29 GLN HB2 2.501 . 3.283 2.484 2.420 2.538 . 0 0 "[ . 1 . 2]" 1
328 1 29 GLN H 1 29 GLN HB3 3.106 . 4.312 3.601 3.590 3.615 . 0 0 "[ . 1 . 2]" 1
329 1 29 GLN H 1 29 GLN HG2 3.529 . 5.085 3.454 3.340 3.567 . 0 0 "[ . 1 . 2]" 1
330 1 29 GLN H 1 29 GLN HG3 2.702 . 3.615 2.299 2.200 2.477 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLN H 1 30 LYS H 2.622 . 3.482 2.682 2.603 2.756 . 0 0 "[ . 1 . 2]" 1
332 1 29 GLN H 1 31 ASP H 3.568 . 5.159 3.970 3.852 4.147 . 0 0 "[ . 1 . 2]" 1
333 1 29 GLN HA 1 29 GLN HB2 2.817 . 3.809 3.025 3.016 3.030 . 0 0 "[ . 1 . 2]" 1
334 1 29 GLN HA 1 29 GLN HB3 2.712 . 3.631 2.503 2.483 2.542 . 0 0 "[ . 1 . 2]" 1
335 1 29 GLN HA 1 29 GLN HG2 2.972 . 4.076 2.543 2.436 2.600 . 0 0 "[ . 1 . 2]" 1
336 1 29 GLN HA 1 29 GLN HG3 3.050 . 4.213 3.090 2.986 3.172 . 0 0 "[ . 1 . 2]" 1
337 1 29 GLN HA 1 30 LYS H 3.450 . 4.938 3.526 3.482 3.549 . 0 0 "[ . 1 . 2]" 1
338 1 29 GLN HA 1 32 LEU H 3.419 . 4.880 3.483 3.303 3.664 . 0 0 "[ . 1 . 2]" 1
339 1 29 GLN HA 1 32 LEU HB2 3.428 . 4.897 3.137 2.868 3.527 . 0 0 "[ . 1 . 2]" 1
340 1 29 GLN HA 1 32 LEU QD 3.341 2.259 4.423 2.929 2.722 3.233 . 0 0 "[ . 1 . 2]" 1
341 1 29 GLN HB2 1 29 GLN HG3 2.933 . 4.008 2.437 2.391 2.474 . 0 0 "[ . 1 . 2]" 1
342 1 29 GLN HB2 1 30 LYS H 2.482 . 3.252 2.277 2.193 2.348 . 0 0 "[ . 1 . 2]" 1
343 1 29 GLN HB3 1 30 LYS H 3.268 . 4.603 3.593 3.465 3.804 . 0 0 "[ . 1 . 2]" 1
344 1 29 GLN HE21 1 29 GLN HG2 3.351 . 4.754 2.920 2.236 3.496 . 0 0 "[ . 1 . 2]" 1
345 1 29 GLN HE21 1 29 GLN HG3 3.023 . 4.166 2.620 2.226 2.948 . 0 0 "[ . 1 . 2]" 1
346 1 29 GLN HE22 1 29 GLN HG2 3.608 . 5.235 3.794 3.483 4.062 . 0 0 "[ . 1 . 2]" 1
347 1 29 GLN HE22 1 29 GLN HG3 3.898 . 5.798 3.650 3.482 3.788 . 0 0 "[ . 1 . 2]" 1
348 1 29 GLN HG3 1 32 LEU H 3.381 . 4.810 4.171 3.766 4.592 . 0 0 "[ . 1 . 2]" 1
349 1 30 LYS H 1 30 LYS HA 2.466 . 3.226 2.808 2.790 2.825 . 0 0 "[ . 1 . 2]" 1
350 1 30 LYS H 1 30 LYS HA 2.358 . 3.053 2.501 2.487 2.509 . 0 0 "[ . 1 . 2]" 1
351 1 30 LYS H 1 30 LYS HB2 2.625 . 3.486 2.519 2.423 2.678 . 0 0 "[ . 1 . 2]" 1
352 1 30 LYS H 1 31 ASP H 2.465 . 3.225 2.745 2.675 2.880 . 0 0 "[ . 1 . 2]" 1
353 1 30 LYS H 1 31 ASP H 2.486 . 3.258 2.411 2.367 2.479 . 0 0 "[ . 1 . 2]" 1
354 1 30 LYS HB2 1 31 ASP H 3.529 . 5.085 3.772 3.700 3.840 . 0 0 "[ . 1 . 2]" 1
355 1 30 LYS HB3 1 31 ASP H 2.731 . 3.663 2.413 2.241 2.517 . 0 0 "[ . 1 . 2]" 1
356 1 30 LYS HG2 1 31 ASP H 3.076 . 4.259 2.396 2.336 2.475 . 0 0 "[ . 1 . 2]" 1
357 1 31 ASP H 1 31 ASP HA 2.641 . 3.513 2.713 2.700 2.729 . 0 0 "[ . 1 . 2]" 1
358 1 31 ASP H 1 31 ASP HB2 2.646 . 3.521 2.378 2.241 2.586 . 0 0 "[ . 1 . 2]" 1
359 1 31 ASP H 1 31 ASP HB3 2.772 . 3.732 3.261 2.531 3.606 . 0 0 "[ . 1 . 2]" 1
360 1 31 ASP H 1 31 ASP HB3 2.869 . 3.898 2.903 2.295 3.296 . 0 0 "[ . 1 . 2]" 1
361 1 31 ASP H 1 34 ASP H 3.570 . 5.163 3.802 3.611 3.976 . 0 0 "[ . 1 . 2]" 1
362 1 31 ASP HA 1 34 ASP H 3.191 . 4.464 3.373 3.179 3.632 . 0 0 "[ . 1 . 2]" 1
363 1 31 ASP HA 1 34 ASP QB 2.747 . 3.690 2.512 1.944 3.063 . 0 0 "[ . 1 . 2]" 1
364 1 32 LEU H 1 32 LEU HA 2.811 . 3.799 2.817 2.804 2.829 . 0 0 "[ . 1 . 2]" 1
365 1 32 LEU H 1 32 LEU HB2 2.998 . 4.121 2.440 2.353 2.502 . 0 0 "[ . 1 . 2]" 1
366 1 32 LEU H 1 32 LEU HB2 3.128 . 4.351 2.427 2.343 2.486 . 0 0 "[ . 1 . 2]" 1
367 1 32 LEU H 1 32 LEU QD 3.050 2.339 4.213 3.671 3.618 3.697 . 0 0 "[ . 1 . 2]" 1
368 1 32 LEU H 1 33 ALA H 2.413 . 3.141 2.673 2.616 2.740 . 0 0 "[ . 1 . 2]" 1
369 1 32 LEU HA 1 32 LEU HB2 2.909 . 3.967 2.494 2.449 2.533 . 0 0 "[ . 1 . 2]" 1
370 1 32 LEU HA 1 32 LEU QD 2.823 . 3.305 2.100 2.064 2.153 . 0 0 "[ . 1 . 2]" 1
371 1 32 LEU HA 1 33 ALA H 3.400 . 4.845 3.532 3.502 3.554 . 0 0 "[ . 1 . 2]" 1
372 1 32 LEU HA 1 35 TYR H 3.190 . 4.462 3.364 3.211 3.464 . 0 0 "[ . 1 . 2]" 1
373 1 32 LEU HA 1 35 TYR QB 3.343 2.186 4.197 2.675 2.327 3.874 . 0 0 "[ . 1 . 2]" 1
374 1 32 LEU HB2 1 32 LEU QD 2.570 . 2.841 2.101 2.092 2.106 . 0 0 "[ . 1 . 2]" 1
375 1 32 LEU QD 1 33 ALA H 3.321 . 4.699 3.882 3.777 4.020 . 0 0 "[ . 1 . 2]" 1
376 1 33 ALA H 1 33 ALA HA 2.336 . 3.018 2.808 2.789 2.818 . 0 0 "[ . 1 . 2]" 1
377 1 33 ALA H 1 33 ALA MB 2.082 . 2.624 2.218 2.209 2.224 . 0 0 "[ . 1 . 2]" 1
378 1 33 ALA H 1 34 ASP H 2.496 . 3.275 2.621 2.548 2.666 . 0 0 "[ . 1 . 2]" 1
379 1 33 ALA HA 1 34 ASP H 3.009 . 4.141 3.507 3.474 3.530 . 0 0 "[ . 1 . 2]" 1
380 1 33 ALA MB 1 34 ASP H 2.248 . 2.879 2.518 2.415 2.658 . 0 0 "[ . 1 . 2]" 1
381 1 34 ASP H 1 34 ASP HA 2.605 . 3.453 2.835 2.800 2.885 . 0 0 "[ . 1 . 2]" 1
382 1 34 ASP H 1 34 ASP QB 2.480 . 3.249 2.253 2.214 2.304 . 0 0 "[ . 1 . 2]" 1
383 1 34 ASP H 1 35 TYR H 2.580 . 3.412 2.541 2.411 2.692 . 0 0 "[ . 1 . 2]" 1
384 1 34 ASP HA 1 34 ASP QB 2.528 . 3.327 2.348 2.279 2.392 . 0 0 "[ . 1 . 2]" 1
385 1 34 ASP HA 1 35 TYR H 3.393 . 4.832 3.485 3.424 3.556 . 0 0 "[ . 1 . 2]" 1
386 1 34 ASP QB 1 35 TYR H 3.001 . 4.127 2.739 2.401 2.944 . 0 0 "[ . 1 . 2]" 1
387 1 35 TYR H 1 35 TYR HA 2.752 . 3.699 2.872 2.812 2.943 . 0 0 "[ . 1 . 2]" 1
388 1 35 TYR H 1 35 TYR QB 2.604 . 3.451 2.271 2.209 2.435 . 0 0 "[ . 1 . 2]" 1
389 1 35 TYR HA 1 35 TYR QB 2.421 . 3.154 2.366 2.321 2.410 . 0 0 "[ . 1 . 2]" 1
390 1 35 TYR HA 1 35 TYR QD 2.594 . 3.435 2.540 2.173 2.859 . 0 0 "[ . 1 . 2]" 1
391 1 35 TYR HA 1 35 TYR QE 3.711 . 5.432 4.535 4.393 4.651 . 0 0 "[ . 1 . 2]" 1
392 1 35 TYR QB 1 35 TYR QD 2.436 . 3.098 2.139 2.128 2.168 . 0 0 "[ . 1 . 2]" 1
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