NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394901 |
1rim   |
6063 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rim
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 259
_Distance_constraint_stats_list.Viol_count 1523
_Distance_constraint_stats_list.Viol_total 3274.862
_Distance_constraint_stats_list.Viol_max 0.354
_Distance_constraint_stats_list.Viol_rms 0.0423
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.0741
_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 TYR 0.191 0.031 1 0 "[ . 1 . 2 . ]"
1 2 LYS 0.051 0.026 29 0 "[ . 1 . 2 . ]"
1 3 PHE 2.545 0.070 1 0 "[ . 1 . 2 . ]"
1 4 ALA 5.142 0.176 10 0 "[ . 1 . 2 . ]"
1 5 CYS 3.803 0.088 8 0 "[ . 1 . 2 . ]"
1 6 PRO 0.784 0.049 5 0 "[ . 1 . 2 . ]"
1 7 GLU 0.608 0.096 14 0 "[ . 1 . 2 . ]"
1 8 CYS 22.843 0.199 4 0 "[ . 1 . 2 . ]"
1 9 PRO 13.986 0.199 4 0 "[ . 1 . 2 . ]"
1 10 LYS 2.303 0.074 6 0 "[ . 1 . 2 . ]"
1 11 ARG 1.857 0.074 6 0 "[ . 1 . 2 . ]"
1 12 PHE 10.616 0.183 5 0 "[ . 1 . 2 . ]"
1 13 MET 0.101 0.031 1 0 "[ . 1 . 2 . ]"
1 14 ARG 2.832 0.066 29 0 "[ . 1 . 2 . ]"
1 15 SER 2.682 0.122 17 0 "[ . 1 . 2 . ]"
1 16 ASP 1.639 0.083 18 0 "[ . 1 . 2 . ]"
1 17 HIS 0.834 0.038 4 0 "[ . 1 . 2 . ]"
1 18 LEU 13.179 0.213 4 0 "[ . 1 . 2 . ]"
1 19 SER 11.543 0.186 17 0 "[ . 1 . 2 . ]"
1 20 LYS 1.065 0.062 24 0 "[ . 1 . 2 . ]"
1 21 HIS 14.484 0.213 5 0 "[ . 1 . 2 . ]"
1 22 ILE 24.661 0.265 18 0 "[ . 1 . 2 . ]"
1 23 THR 11.254 0.257 25 0 "[ . 1 . 2 . ]"
1 24 LEU 13.967 0.354 6 0 "[ . 1 . 2 . ]"
1 25 HIS 36.260 0.265 18 0 "[ . 1 . 2 . ]"
1 26 GLU 6.910 0.257 25 0 "[ . 1 . 2 . ]"
1 27 LEU 10.899 0.354 6 0 "[ . 1 . 2 . ]"
1 28 LEU 0.020 0.020 19 0 "[ . 1 . 2 . ]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 30 GLU 0.000 0.000 . 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 1 TYR HA 1 1 TYR QD 4.010 . 6.910 3.185 2.670 3.745 . 0 0 "[ . 1 . 2 . ]" 1
2 1 1 TYR HA 1 2 LYS H 2.310 . 2.810 2.315 2.143 2.836 0.026 29 0 "[ . 1 . 2 . ]" 1
3 1 1 TYR HA 1 13 MET HA 2.510 . 3.010 2.307 1.797 3.009 0.013 5 0 "[ . 1 . 2 . ]" 1
4 1 1 TYR QB 1 2 LYS H 2.870 . 5.140 3.690 2.782 4.053 . 0 0 "[ . 1 . 2 . ]" 1
5 1 1 TYR QB 1 11 ARG HB2 2.800 . 4.800 2.956 1.956 3.486 . 0 0 "[ . 1 . 2 . ]" 1
6 1 1 TYR QB 1 11 ARG HB3 2.800 . 4.800 4.443 3.466 4.818 0.018 29 0 "[ . 1 . 2 . ]" 1
7 1 1 TYR QB 1 13 MET HA 3.620 . 6.120 3.668 2.268 4.642 . 0 0 "[ . 1 . 2 . ]" 1
8 1 1 TYR QD 1 13 MET QG 3.530 . 6.330 3.472 2.035 5.582 . 0 0 "[ . 1 . 2 . ]" 1
9 1 1 TYR QE 1 13 MET QB 3.570 . 7.370 4.639 2.130 7.401 0.031 1 0 "[ . 1 . 2 . ]" 1
10 1 1 TYR QE 1 13 MET QG 4.170 . 7.970 4.011 1.990 7.182 . 0 0 "[ . 1 . 2 . ]" 1
11 1 2 LYS H 1 2 LYS HA 2.550 . 3.060 2.902 2.811 2.946 . 0 0 "[ . 1 . 2 . ]" 1
12 1 2 LYS H 1 2 LYS QB 2.410 . 4.410 2.824 2.533 3.399 . 0 0 "[ . 1 . 2 . ]" 1
13 1 2 LYS H 1 3 PHE H 2.560 . 3.060 2.598 2.094 3.079 0.019 28 0 "[ . 1 . 2 . ]" 1
14 1 2 LYS H 1 3 PHE QD 3.310 . 6.070 5.203 4.884 5.628 . 0 0 "[ . 1 . 2 . ]" 1
15 1 2 LYS HA 1 3 PHE H 3.030 . 3.630 2.739 2.531 3.557 . 0 0 "[ . 1 . 2 . ]" 1
16 1 2 LYS QB 1 3 PHE H 2.860 . 5.130 3.894 2.508 4.057 . 0 0 "[ . 1 . 2 . ]" 1
17 1 3 PHE H 1 3 PHE HB2 2.700 . 3.400 3.041 2.336 3.328 . 0 0 "[ . 1 . 2 . ]" 1
18 1 3 PHE H 1 3 PHE HB3 3.100 . 3.720 3.149 2.883 3.370 . 0 0 "[ . 1 . 2 . ]" 1
19 1 3 PHE H 1 3 PHE QD 2.570 . 5.170 4.443 3.929 4.537 . 0 0 "[ . 1 . 2 . ]" 1
20 1 3 PHE H 1 4 ALA H 3.900 . 4.700 4.005 3.783 4.438 . 0 0 "[ . 1 . 2 . ]" 1
21 1 3 PHE H 1 12 PHE H 2.940 . 3.240 3.267 3.100 3.304 0.064 1 0 "[ . 1 . 2 . ]" 1
22 1 3 PHE HB2 1 3 PHE QD 2.440 . 4.840 2.444 2.255 2.762 . 0 0 "[ . 1 . 2 . ]" 1
23 1 3 PHE HB2 1 4 ALA H 3.810 . 4.570 4.489 3.710 4.586 0.016 5 0 "[ . 1 . 2 . ]" 1
24 1 3 PHE HB2 1 12 PHE H 3.820 . 4.920 4.721 4.088 4.977 0.057 7 0 "[ . 1 . 2 . ]" 1
25 1 3 PHE HB3 1 3 PHE QD 2.460 . 4.860 2.376 2.253 2.659 . 0 0 "[ . 1 . 2 . ]" 1
26 1 3 PHE HB3 1 4 ALA H 3.490 . 4.190 4.051 2.423 4.219 0.029 13 0 "[ . 1 . 2 . ]" 1
27 1 3 PHE HB3 1 12 PHE H 3.530 . 4.230 3.487 3.113 3.766 . 0 0 "[ . 1 . 2 . ]" 1
28 1 3 PHE HB3 1 18 LEU HB2 3.310 . 5.310 4.799 3.006 5.324 0.014 21 0 "[ . 1 . 2 . ]" 1
29 1 3 PHE HB3 1 18 LEU MD1 3.500 . 6.000 1.941 1.730 2.366 0.070 1 0 "[ . 1 . 2 . ]" 1
30 1 3 PHE QD 1 4 ALA H 3.530 . 6.330 3.635 2.381 3.936 . 0 0 "[ . 1 . 2 . ]" 1
31 1 3 PHE QD 1 12 PHE HB2 3.560 . 6.360 4.162 3.742 4.701 . 0 0 "[ . 1 . 2 . ]" 1
32 1 3 PHE QD 1 15 SER H 3.600 . 6.420 4.320 3.775 4.633 . 0 0 "[ . 1 . 2 . ]" 1
33 1 3 PHE QD 1 15 SER HA 4.200 . 7.140 2.672 1.829 3.054 . 0 0 "[ . 1 . 2 . ]" 1
34 1 3 PHE QD 1 15 SER HB2 3.680 . 6.510 4.193 2.935 5.151 . 0 0 "[ . 1 . 2 . ]" 1
35 1 3 PHE QE 1 14 ARG HA 3.400 . 6.180 6.222 6.190 6.246 0.066 29 0 "[ . 1 . 2 . ]" 1
36 1 3 PHE QE 1 15 SER HA 3.510 . 6.310 2.999 2.116 3.501 . 0 0 "[ . 1 . 2 . ]" 1
37 1 3 PHE QE 1 15 SER HB2 2.920 . 5.600 3.447 2.489 4.581 . 0 0 "[ . 1 . 2 . ]" 1
38 1 3 PHE QE 1 15 SER HB3 2.910 . 5.310 3.357 2.186 4.460 . 0 0 "[ . 1 . 2 . ]" 1
39 1 4 ALA H 1 4 ALA HA 2.250 . 2.750 2.920 2.832 2.926 0.176 10 0 "[ . 1 . 2 . ]" 1
40 1 4 ALA H 1 18 LEU MD2 3.060 . 4.660 3.281 2.346 4.681 0.021 4 0 "[ . 1 . 2 . ]" 1
41 1 4 ALA MB 1 5 CYS H 3.210 . 4.850 2.822 2.667 3.218 . 0 0 "[ . 1 . 2 . ]" 1
42 1 4 ALA MB 1 5 CYS HB2 3.060 . 4.660 4.505 4.381 4.719 0.059 1 0 "[ . 1 . 2 . ]" 1
43 1 5 CYS H 1 12 PHE QD 3.410 . 5.810 3.926 3.619 4.266 . 0 0 "[ . 1 . 2 . ]" 1
44 1 5 CYS H 1 12 PHE QE 3.130 . 5.530 3.072 2.872 3.615 . 0 0 "[ . 1 . 2 . ]" 1
45 1 5 CYS H 1 22 ILE MG 2.720 . 4.260 4.332 4.302 4.348 0.088 8 0 "[ . 1 . 2 . ]" 1
46 1 5 CYS HA 1 6 PRO HD2 2.430 . 2.930 2.684 2.337 2.958 0.028 24 0 "[ . 1 . 2 . ]" 1
47 1 5 CYS HA 1 6 PRO HD3 2.360 . 2.860 2.154 1.900 2.477 . 0 0 "[ . 1 . 2 . ]" 1
48 1 5 CYS HB2 1 7 GLU H 3.390 . 4.090 2.946 2.777 3.426 . 0 0 "[ . 1 . 2 . ]" 1
49 1 5 CYS HB2 1 8 CYS H 3.070 . 3.690 2.163 2.055 2.485 . 0 0 "[ . 1 . 2 . ]" 1
50 1 5 CYS HB2 1 10 LYS H 3.970 . 4.770 4.576 3.762 4.777 0.007 24 0 "[ . 1 . 2 . ]" 1
51 1 5 CYS HB2 1 12 PHE QE 3.210 . 5.710 4.152 3.742 4.445 . 0 0 "[ . 1 . 2 . ]" 1
52 1 5 CYS HB2 1 18 LEU MD2 3.170 . 4.800 3.883 3.659 4.468 . 0 0 "[ . 1 . 2 . ]" 1
53 1 5 CYS HB3 1 7 GLU H 3.650 . 4.370 2.725 2.488 2.853 . 0 0 "[ . 1 . 2 . ]" 1
54 1 5 CYS HB3 1 8 CYS H 3.310 . 3.970 3.183 2.582 3.397 . 0 0 "[ . 1 . 2 . ]" 1
55 1 5 CYS HB3 1 18 LEU MD2 2.580 . 4.100 3.818 3.520 4.169 0.069 20 0 "[ . 1 . 2 . ]" 1
56 1 5 CYS SG 1 8 CYS SG 3.500 3.400 3.600 3.617 3.516 3.634 0.034 15 0 "[ . 1 . 2 . ]" 1
57 1 5 CYS SG 1 21 HIS NE2 3.500 3.400 3.600 3.422 3.379 3.605 0.021 1 0 "[ . 1 . 2 . ]" 1
58 1 5 CYS SG 1 25 HIS NE2 3.500 3.400 3.600 3.621 3.583 3.649 0.049 20 0 "[ . 1 . 2 . ]" 1
59 1 6 PRO QB 1 7 GLU H 3.710 . 6.140 3.257 2.992 3.522 . 0 0 "[ . 1 . 2 . ]" 1
60 1 6 PRO HD2 1 7 GLU H 5.670 . 6.970 2.706 2.499 2.991 . 0 0 "[ . 1 . 2 . ]" 1
61 1 6 PRO HD2 1 22 ILE MD 2.700 . 4.240 4.224 4.086 4.289 0.049 5 0 "[ . 1 . 2 . ]" 1
62 1 6 PRO HD2 1 22 ILE MG 2.840 . 4.410 1.910 1.810 2.087 0.030 6 0 "[ . 1 . 2 . ]" 1
63 1 6 PRO HD3 1 7 GLU H 4.050 . 4.850 3.879 3.751 4.052 . 0 0 "[ . 1 . 2 . ]" 1
64 1 6 PRO HG2 1 7 GLU H 4.320 . 5.180 3.565 2.803 4.290 . 0 0 "[ . 1 . 2 . ]" 1
65 1 6 PRO HG3 1 7 GLU H 3.740 . 4.600 4.452 4.213 4.641 0.041 16 0 "[ . 1 . 2 . ]" 1
66 1 7 GLU H 1 7 GLU HB2 2.730 . 3.430 2.531 2.253 3.280 . 0 0 "[ . 1 . 2 . ]" 1
67 1 7 GLU H 1 7 GLU HB3 2.950 . 3.550 3.123 2.428 3.646 0.096 14 0 "[ . 1 . 2 . ]" 1
68 1 7 GLU H 1 7 GLU QG 2.900 . 4.900 3.670 1.844 4.179 . 0 0 "[ . 1 . 2 . ]" 1
69 1 7 GLU H 1 8 CYS H 2.450 . 2.940 2.384 2.265 2.479 . 0 0 "[ . 1 . 2 . ]" 1
70 1 7 GLU HA 1 8 CYS H 3.680 . 4.420 3.599 3.588 3.608 . 0 0 "[ . 1 . 2 . ]" 1
71 1 7 GLU HB2 1 8 CYS H 3.520 . 5.220 3.114 2.303 3.870 . 0 0 "[ . 1 . 2 . ]" 1
72 1 7 GLU HB2 1 25 HIS HE1 3.590 . 5.990 3.066 1.994 3.955 . 0 0 "[ . 1 . 2 . ]" 1
73 1 8 CYS H 1 8 CYS HA 3.000 . 3.600 2.938 2.930 2.942 . 0 0 "[ . 1 . 2 . ]" 1
74 1 8 CYS H 1 8 CYS HB2 3.510 . 4.210 3.742 3.719 3.758 . 0 0 "[ . 1 . 2 . ]" 1
75 1 8 CYS H 1 8 CYS HB3 3.200 . 3.800 2.890 2.783 2.936 . 0 0 "[ . 1 . 2 . ]" 1
76 1 8 CYS HA 1 9 PRO HA 3.590 . 4.290 4.361 4.351 4.369 0.079 6 0 "[ . 1 . 2 . ]" 1
77 1 8 CYS HA 1 9 PRO QB 3.760 . 6.260 4.364 4.325 4.398 . 0 0 "[ . 1 . 2 . ]" 1
78 1 8 CYS HA 1 9 PRO HD2 2.340 . 2.640 2.726 2.705 2.773 0.133 4 0 "[ . 1 . 2 . ]" 1
79 1 8 CYS HA 1 9 PRO HD3 2.450 . 2.940 1.993 1.959 2.038 . 0 0 "[ . 1 . 2 . ]" 1
80 1 8 CYS HA 1 9 PRO QG 2.760 . 5.010 3.932 3.904 3.975 . 0 0 "[ . 1 . 2 . ]" 1
81 1 8 CYS HA 1 25 HIS HE1 3.500 . 4.330 3.502 3.380 3.738 . 0 0 "[ . 1 . 2 . ]" 1
82 1 8 CYS HB2 1 9 PRO QG 3.010 . 5.310 3.629 3.573 3.680 . 0 0 "[ . 1 . 2 . ]" 1
83 1 8 CYS HB2 1 25 HIS HE1 2.960 . 3.560 3.648 3.621 3.669 0.109 7 0 "[ . 1 . 2 . ]" 1
84 1 8 CYS HB3 1 9 PRO HD2 2.790 . 3.090 3.251 3.223 3.266 0.176 6 0 "[ . 1 . 2 . ]" 1
85 1 8 CYS HB3 1 9 PRO HD3 2.670 . 3.570 3.734 3.715 3.769 0.199 4 0 "[ . 1 . 2 . ]" 1
86 1 8 CYS HB3 1 25 HIS HE1 2.520 . 3.020 1.998 1.954 2.056 . 0 0 "[ . 1 . 2 . ]" 1
87 1 8 CYS SG 1 21 HIS NE2 3.500 3.400 3.600 3.657 3.568 3.705 0.105 20 0 "[ . 1 . 2 . ]" 1
88 1 8 CYS SG 1 25 HIS NE2 3.500 3.400 3.600 3.261 3.241 3.284 0.159 15 0 "[ . 1 . 2 . ]" 1
89 1 9 PRO HA 1 10 LYS H 3.490 . 4.190 3.365 3.288 3.443 . 0 0 "[ . 1 . 2 . ]" 1
90 1 9 PRO HD3 1 10 LYS H 3.220 . 3.860 3.783 3.689 3.870 0.010 1 0 "[ . 1 . 2 . ]" 1
91 1 10 LYS H 1 10 LYS HA 2.550 . 2.850 2.762 2.708 2.827 . 0 0 "[ . 1 . 2 . ]" 1
92 1 10 LYS H 1 10 LYS HB2 2.800 . 4.800 2.204 2.062 2.472 . 0 0 "[ . 1 . 2 . ]" 1
93 1 10 LYS H 1 10 LYS HB3 2.320 . 4.320 3.428 3.033 3.594 . 0 0 "[ . 1 . 2 . ]" 1
94 1 10 LYS H 1 11 ARG H 3.480 . 4.480 4.528 4.503 4.554 0.074 6 0 "[ . 1 . 2 . ]" 1
95 1 10 LYS HA 1 10 LYS HB2 2.490 . 4.440 2.925 2.692 3.019 . 0 0 "[ . 1 . 2 . ]" 1
96 1 10 LYS HA 1 10 LYS HB3 2.600 . 4.600 2.724 2.527 2.963 . 0 0 "[ . 1 . 2 . ]" 1
97 1 10 LYS HA 1 10 LYS QG 3.020 . 5.020 2.271 2.022 2.678 . 0 0 "[ . 1 . 2 . ]" 1
98 1 10 LYS HA 1 11 ARG H 2.000 . 2.500 2.131 2.120 2.138 . 0 0 "[ . 1 . 2 . ]" 1
99 1 10 LYS HB2 1 11 ARG H 2.800 . 4.800 4.392 4.292 4.499 . 0 0 "[ . 1 . 2 . ]" 1
100 1 10 LYS HB2 1 12 PHE QE 2.420 . 6.420 2.743 2.222 3.468 . 0 0 "[ . 1 . 2 . ]" 1
101 1 10 LYS HB2 1 12 PHE HZ 2.810 . 4.810 3.853 2.927 4.593 . 0 0 "[ . 1 . 2 . ]" 1
102 1 10 LYS HB2 1 21 HIS HE1 4.030 2.030 6.030 4.278 3.964 4.817 . 0 0 "[ . 1 . 2 . ]" 1
103 1 10 LYS HB3 1 12 PHE H 2.900 . 4.900 4.930 4.912 4.962 0.062 23 0 "[ . 1 . 2 . ]" 1
104 1 10 LYS HB3 1 12 PHE QD 4.030 . 8.030 3.561 3.367 4.049 . 0 0 "[ . 1 . 2 . ]" 1
105 1 10 LYS HB3 1 12 PHE QE 2.790 . 6.790 2.381 1.907 2.894 . 0 0 "[ . 1 . 2 . ]" 1
106 1 10 LYS HB3 1 12 PHE HZ 3.150 . 5.150 3.560 2.803 4.099 . 0 0 "[ . 1 . 2 . ]" 1
107 1 10 LYS HB3 1 21 HIS HE1 2.950 . 4.950 4.596 4.091 4.901 . 0 0 "[ . 1 . 2 . ]" 1
108 1 10 LYS QG 1 12 PHE QE 3.390 . 7.390 4.017 3.591 4.273 . 0 0 "[ . 1 . 2 . ]" 1
109 1 10 LYS QG 1 12 PHE HZ 2.980 . 4.980 4.367 3.421 4.969 . 0 0 "[ . 1 . 2 . ]" 1
110 1 10 LYS QG 1 21 HIS HE1 2.700 . 4.700 3.822 2.501 4.469 . 0 0 "[ . 1 . 2 . ]" 1
111 1 11 ARG H 1 11 ARG HB3 2.620 . 3.220 2.998 2.850 3.162 . 0 0 "[ . 1 . 2 . ]" 1
112 1 11 ARG H 1 11 ARG QG 3.400 . 4.100 2.054 1.892 2.237 . 0 0 "[ . 1 . 2 . ]" 1
113 1 11 ARG H 1 12 PHE H 3.630 . 4.350 4.357 4.265 4.377 0.027 14 0 "[ . 1 . 2 . ]" 1
114 1 11 ARG HB2 1 12 PHE H 3.110 . 3.730 3.513 3.406 3.670 . 0 0 "[ . 1 . 2 . ]" 1
115 1 11 ARG HB3 1 12 PHE H 4.130 . 6.630 4.254 4.150 4.341 . 0 0 "[ . 1 . 2 . ]" 1
116 1 12 PHE H 1 12 PHE HA 2.750 . 3.050 2.930 2.913 2.940 . 0 0 "[ . 1 . 2 . ]" 1
117 1 12 PHE H 1 12 PHE HB2 3.190 . 3.830 2.561 2.508 2.720 . 0 0 "[ . 1 . 2 . ]" 1
118 1 12 PHE H 1 12 PHE HB3 2.920 . 3.820 3.687 3.660 3.722 . 0 0 "[ . 1 . 2 . ]" 1
119 1 12 PHE H 1 18 LEU MD2 3.440 . 5.440 3.460 2.431 5.509 0.069 4 0 "[ . 1 . 2 . ]" 1
120 1 12 PHE HA 1 12 PHE QE 3.100 . 5.500 4.836 4.767 4.911 . 0 0 "[ . 1 . 2 . ]" 1
121 1 12 PHE HB2 1 13 MET H 3.430 . 4.110 2.909 1.814 3.689 0.016 15 0 "[ . 1 . 2 . ]" 1
122 1 12 PHE HB2 1 14 ARG H 2.760 . 3.360 3.389 3.369 3.405 0.045 18 0 "[ . 1 . 2 . ]" 1
123 1 12 PHE HB2 1 17 HIS HB2 2.840 . 3.440 3.008 2.723 3.400 . 0 0 "[ . 1 . 2 . ]" 1
124 1 12 PHE HB2 1 17 HIS HB3 3.110 . 3.710 3.564 2.758 3.748 0.038 4 0 "[ . 1 . 2 . ]" 1
125 1 12 PHE HB2 1 18 LEU MD1 3.520 . 4.870 1.863 1.724 3.198 0.096 21 0 "[ . 1 . 2 . ]" 1
126 1 12 PHE HB3 1 13 MET H 3.840 . 4.600 2.138 1.887 2.578 . 0 0 "[ . 1 . 2 . ]" 1
127 1 12 PHE HB3 1 14 ARG H 3.250 . 3.900 3.102 2.673 3.830 . 0 0 "[ . 1 . 2 . ]" 1
128 1 12 PHE QD 1 17 HIS HA 3.500 . 6.000 4.066 3.819 5.056 . 0 0 "[ . 1 . 2 . ]" 1
129 1 12 PHE QD 1 18 LEU HA 3.060 . 3.760 3.645 3.352 3.795 0.035 8 0 "[ . 1 . 2 . ]" 1
130 1 12 PHE QD 1 18 LEU HB2 3.160 . 5.660 4.897 2.371 5.098 . 0 0 "[ . 1 . 2 . ]" 1
131 1 12 PHE QD 1 18 LEU MD1 3.040 . 6.140 2.823 1.946 4.066 . 0 0 "[ . 1 . 2 . ]" 1
132 1 12 PHE QD 1 18 LEU MD2 2.320 . 5.420 2.795 1.976 4.171 . 0 0 "[ . 1 . 2 . ]" 1
133 1 12 PHE QE 1 18 LEU HB2 2.850 . 5.250 5.202 3.633 5.289 0.039 8 0 "[ . 1 . 2 . ]" 1
134 1 12 PHE HZ 1 21 HIS HB3 3.050 . 3.660 3.447 3.236 3.651 . 0 0 "[ . 1 . 2 . ]" 1
135 1 12 PHE HZ 1 25 HIS HB2 4.230 . 5.080 5.125 5.090 5.168 0.088 18 0 "[ . 1 . 2 . ]" 1
136 1 12 PHE HZ 1 25 HIS HB3 3.840 . 4.600 4.737 4.680 4.783 0.183 5 0 "[ . 1 . 2 . ]" 1
137 1 13 MET H 1 14 ARG H 3.240 . 3.880 2.303 2.069 2.508 . 0 0 "[ . 1 . 2 . ]" 1
138 1 14 ARG H 1 17 HIS HB2 3.310 . 4.310 2.354 2.202 2.655 . 0 0 "[ . 1 . 2 . ]" 1
139 1 14 ARG H 1 17 HIS HB3 3.090 . 4.090 3.601 3.408 3.864 . 0 0 "[ . 1 . 2 . ]" 1
140 1 14 ARG HA 1 14 ARG HB2 2.610 . 3.130 3.022 3.013 3.027 . 0 0 "[ . 1 . 2 . ]" 1
141 1 14 ARG HA 1 14 ARG HB3 2.860 . 3.460 2.508 2.444 2.553 . 0 0 "[ . 1 . 2 . ]" 1
142 1 14 ARG HA 1 15 SER H 3.300 . 3.960 2.372 2.262 2.605 . 0 0 "[ . 1 . 2 . ]" 1
143 1 14 ARG HB2 1 16 ASP H 2.980 . 3.580 3.559 3.354 3.611 0.031 10 0 "[ . 1 . 2 . ]" 1
144 1 14 ARG HB3 1 16 ASP H 3.710 . 4.510 2.823 2.592 3.038 . 0 0 "[ . 1 . 2 . ]" 1
145 1 14 ARG HB3 1 17 HIS H 2.940 . 3.540 3.466 3.005 3.558 0.018 15 0 "[ . 1 . 2 . ]" 1
146 1 14 ARG HB3 1 17 HIS HD2 3.540 . 4.340 4.304 3.706 4.368 0.028 1 0 "[ . 1 . 2 . ]" 1
147 1 14 ARG HD2 1 17 HIS HE1 3.110 . 3.730 3.446 2.527 3.751 0.021 5 0 "[ . 1 . 2 . ]" 1
148 1 14 ARG HD3 1 17 HIS HE1 3.320 . 3.980 3.496 2.855 4.008 0.028 10 0 "[ . 1 . 2 . ]" 1
149 1 15 SER H 1 15 SER HA 2.840 . 3.140 2.801 2.776 2.851 . 0 0 "[ . 1 . 2 . ]" 1
150 1 15 SER H 1 15 SER HB2 2.940 . 3.520 3.041 2.283 3.584 0.064 5 0 "[ . 1 . 2 . ]" 1
151 1 15 SER HA 1 16 ASP H 3.390 . 4.070 3.547 3.499 3.561 . 0 0 "[ . 1 . 2 . ]" 1
152 1 15 SER HA 1 18 LEU H 3.070 . 3.970 3.695 3.410 3.862 . 0 0 "[ . 1 . 2 . ]" 1
153 1 15 SER HA 1 18 LEU HB2 2.650 . 4.650 3.676 3.470 4.659 0.009 20 0 "[ . 1 . 2 . ]" 1
154 1 15 SER HA 1 18 LEU MD1 3.120 . 4.430 2.296 1.804 3.781 0.016 17 0 "[ . 1 . 2 . ]" 1
155 1 15 SER HA 1 18 LEU MD2 2.910 . 3.810 3.868 3.828 3.932 0.122 17 0 "[ . 1 . 2 . ]" 1
156 1 15 SER HB2 1 16 ASP H 3.460 . 4.160 3.453 2.489 4.036 . 0 0 "[ . 1 . 2 . ]" 1
157 1 15 SER HB2 1 18 LEU MD1 3.610 . 4.970 4.452 3.567 5.091 0.121 4 0 "[ . 1 . 2 . ]" 1
158 1 15 SER HB3 1 16 ASP H 3.330 . 3.990 3.541 2.572 3.997 0.007 18 0 "[ . 1 . 2 . ]" 1
159 1 16 ASP H 1 16 ASP HA 2.810 . 3.110 2.822 2.808 2.885 . 0 0 "[ . 1 . 2 . ]" 1
160 1 16 ASP H 1 17 HIS H 3.350 . 4.020 2.649 2.373 2.698 . 0 0 "[ . 1 . 2 . ]" 1
161 1 16 ASP HB2 1 17 HIS H 3.810 . 4.570 3.664 2.998 3.892 . 0 0 "[ . 1 . 2 . ]" 1
162 1 16 ASP HB2 1 17 HIS HD2 4.120 . 4.940 3.943 3.138 4.336 . 0 0 "[ . 1 . 2 . ]" 1
163 1 16 ASP HB2 1 19 SER HB3 3.460 . 4.160 3.966 3.636 4.243 0.083 18 0 "[ . 1 . 2 . ]" 1
164 1 16 ASP HB3 1 17 HIS H 3.710 . 4.450 4.175 4.071 4.225 . 0 0 "[ . 1 . 2 . ]" 1
165 1 16 ASP HB3 1 19 SER HB3 3.380 . 4.060 4.080 3.269 4.122 0.062 1 0 "[ . 1 . 2 . ]" 1
166 1 17 HIS H 1 17 HIS HA 2.620 . 2.920 2.786 2.770 2.807 . 0 0 "[ . 1 . 2 . ]" 1
167 1 17 HIS HA 1 18 LEU H 3.110 . 3.730 3.497 3.477 3.533 . 0 0 "[ . 1 . 2 . ]" 1
168 1 17 HIS HA 1 20 LYS H 3.060 . 5.060 4.311 3.844 4.495 . 0 0 "[ . 1 . 2 . ]" 1
169 1 17 HIS HA 1 20 LYS QB 2.570 . 4.570 3.986 3.302 4.359 . 0 0 "[ . 1 . 2 . ]" 1
170 1 18 LEU H 1 18 LEU HB2 2.480 . 2.980 2.497 2.399 3.079 0.099 20 0 "[ . 1 . 2 . ]" 1
171 1 18 LEU H 1 18 LEU HB3 4.020 . 4.830 3.583 2.302 3.670 . 0 0 "[ . 1 . 2 . ]" 1
172 1 18 LEU H 1 18 LEU MD1 2.610 . 3.910 2.072 1.767 4.085 0.175 4 0 "[ . 1 . 2 . ]" 1
173 1 18 LEU H 1 18 LEU MD2 3.160 . 4.790 3.988 3.733 4.055 . 0 0 "[ . 1 . 2 . ]" 1
174 1 18 LEU H 1 19 SER H 2.680 . 2.980 2.348 2.256 2.382 . 0 0 "[ . 1 . 2 . ]" 1
175 1 18 LEU H 1 19 SER HA 3.690 . 4.890 4.939 4.873 4.999 0.109 4 0 "[ . 1 . 2 . ]" 1
176 1 18 LEU HA 1 19 SER H 3.490 . 4.190 3.550 3.533 3.558 . 0 0 "[ . 1 . 2 . ]" 1
177 1 18 LEU HB2 1 21 HIS H 3.000 . 5.000 5.098 4.999 5.213 0.213 4 0 "[ . 1 . 2 . ]" 1
178 1 18 LEU MD1 1 19 SER H 3.260 . 4.590 3.413 2.411 4.594 0.004 4 0 "[ . 1 . 2 . ]" 1
179 1 18 LEU MD2 1 19 SER H 2.930 . 4.220 4.329 3.008 4.406 0.186 17 0 "[ . 1 . 2 . ]" 1
180 1 19 SER H 1 19 SER HA 2.690 . 2.990 2.683 2.656 2.785 . 0 0 "[ . 1 . 2 . ]" 1
181 1 19 SER H 1 19 SER HB2 2.350 . 3.350 2.544 2.483 2.619 . 0 0 "[ . 1 . 2 . ]" 1
182 1 19 SER H 1 20 LYS H 2.850 . 3.140 3.030 2.647 3.138 . 0 0 "[ . 1 . 2 . ]" 1
183 1 19 SER HA 1 22 ILE H 3.020 . 3.620 3.718 3.636 3.750 0.130 20 0 "[ . 1 . 2 . ]" 1
184 1 19 SER HA 1 22 ILE HB 2.590 . 4.590 4.610 4.574 4.641 0.051 3 0 "[ . 1 . 2 . ]" 1
185 1 19 SER HA 1 22 ILE MD 2.600 . 3.860 1.971 1.859 2.132 . 0 0 "[ . 1 . 2 . ]" 1
186 1 19 SER HA 1 22 ILE MG 2.560 . 3.820 3.846 3.771 3.885 0.065 5 0 "[ . 1 . 2 . ]" 1
187 1 19 SER HB2 1 20 LYS H 3.060 . 4.560 4.024 3.995 4.072 . 0 0 "[ . 1 . 2 . ]" 1
188 1 19 SER HB3 1 20 LYS H 2.690 . 2.990 2.739 2.688 2.884 . 0 0 "[ . 1 . 2 . ]" 1
189 1 20 LYS H 1 20 LYS HA 2.610 . 2.910 2.894 2.882 2.905 . 0 0 "[ . 1 . 2 . ]" 1
190 1 20 LYS H 1 20 LYS QB 2.210 . 4.110 2.271 2.118 2.376 . 0 0 "[ . 1 . 2 . ]" 1
191 1 20 LYS HA 1 20 LYS QG 3.030 . 5.030 2.326 2.123 2.868 . 0 0 "[ . 1 . 2 . ]" 1
192 1 20 LYS HA 1 21 HIS H 3.070 . 3.670 3.513 3.505 3.534 . 0 0 "[ . 1 . 2 . ]" 1
193 1 20 LYS HA 1 23 THR HB 3.160 . 3.800 3.831 3.817 3.862 0.062 24 0 "[ . 1 . 2 . ]" 1
194 1 20 LYS HA 1 23 THR HG1 3.190 . 4.510 3.710 2.940 4.513 0.003 8 0 "[ . 1 . 2 . ]" 1
195 1 20 LYS QB 1 21 HIS H 2.490 . 2.790 2.776 2.583 2.823 0.033 9 0 "[ . 1 . 2 . ]" 1
196 1 21 HIS H 1 21 HIS HA 2.730 . 3.030 2.878 2.844 2.891 . 0 0 "[ . 1 . 2 . ]" 1
197 1 21 HIS H 1 21 HIS HB2 2.570 . 3.170 3.066 3.025 3.100 . 0 0 "[ . 1 . 2 . ]" 1
198 1 21 HIS H 1 21 HIS HB3 2.570 . 3.170 2.170 2.145 2.185 . 0 0 "[ . 1 . 2 . ]" 1
199 1 21 HIS H 1 22 ILE H 3.900 . 4.700 2.498 2.451 2.625 . 0 0 "[ . 1 . 2 . ]" 1
200 1 21 HIS HB3 1 22 ILE H 3.120 . 3.740 3.109 2.974 3.199 . 0 0 "[ . 1 . 2 . ]" 1
201 1 21 HIS HD2 1 24 LEU MD1 2.990 . 4.290 4.383 4.342 4.425 0.135 6 0 "[ . 1 . 2 . ]" 1
202 1 21 HIS HD2 1 24 LEU MD2 3.930 . 5.230 5.291 5.244 5.337 0.107 20 0 "[ . 1 . 2 . ]" 1
203 1 21 HIS NE2 1 25 HIS NE2 3.400 3.300 3.500 3.679 3.637 3.713 0.213 5 0 "[ . 1 . 2 . ]" 1
204 1 22 ILE H 1 22 ILE HA 2.610 . 2.910 2.817 2.798 2.830 . 0 0 "[ . 1 . 2 . ]" 1
205 1 22 ILE H 1 22 ILE MD 3.470 . 5.470 3.512 3.484 3.557 . 0 0 "[ . 1 . 2 . ]" 1
206 1 22 ILE H 1 22 ILE HG13 2.580 . 2.880 1.759 1.735 1.826 0.065 20 0 "[ . 1 . 2 . ]" 1
207 1 22 ILE H 1 22 ILE MG 2.680 . 3.950 2.808 2.722 2.884 . 0 0 "[ . 1 . 2 . ]" 1
208 1 22 ILE H 1 23 THR H 2.670 . 2.970 2.763 2.699 2.828 . 0 0 "[ . 1 . 2 . ]" 1
209 1 22 ILE HA 1 23 THR H 3.040 . 3.640 3.536 3.524 3.545 . 0 0 "[ . 1 . 2 . ]" 1
210 1 22 ILE HA 1 24 LEU H 3.630 . 4.350 3.870 3.760 4.176 . 0 0 "[ . 1 . 2 . ]" 1
211 1 22 ILE HA 1 25 HIS H 2.610 . 3.210 3.222 3.110 3.278 0.068 4 0 "[ . 1 . 2 . ]" 1
212 1 22 ILE HA 1 25 HIS HB2 3.710 . 5.010 4.441 4.164 4.621 . 0 0 "[ . 1 . 2 . ]" 1
213 1 22 ILE HA 1 25 HIS HB3 3.120 . 5.000 2.930 2.580 3.173 . 0 0 "[ . 1 . 2 . ]" 1
214 1 22 ILE HA 1 25 HIS HD2 2.270 . 2.870 1.607 1.595 1.627 0.205 12 0 "[ . 1 . 2 . ]" 1
215 1 22 ILE HB 1 23 THR H 2.840 . 3.140 3.282 3.254 3.318 0.178 18 0 "[ . 1 . 2 . ]" 1
216 1 22 ILE HB 1 25 HIS HD2 4.030 . 4.840 3.711 3.436 3.859 . 0 0 "[ . 1 . 2 . ]" 1
217 1 22 ILE HG12 1 25 HIS HD2 4.220 . 5.070 4.767 4.720 4.828 . 0 0 "[ . 1 . 2 . ]" 1
218 1 22 ILE HG13 1 25 HIS HD2 3.490 . 4.490 4.712 4.672 4.755 0.265 18 0 "[ . 1 . 2 . ]" 1
219 1 22 ILE MG 1 23 THR H 3.000 2.120 4.540 4.127 4.082 4.155 . 0 0 "[ . 1 . 2 . ]" 1
220 1 22 ILE MG 1 25 HIS HD2 3.120 . 4.430 2.141 1.946 2.312 . 0 0 "[ . 1 . 2 . ]" 1
221 1 23 THR H 1 23 THR HA 2.710 . 3.010 2.763 2.728 2.788 . 0 0 "[ . 1 . 2 . ]" 1
222 1 23 THR H 1 23 THR HB 2.640 . 2.940 2.536 2.176 2.697 . 0 0 "[ . 1 . 2 . ]" 1
223 1 23 THR H 1 24 LEU H 4.250 . 5.110 2.823 2.756 2.914 . 0 0 "[ . 1 . 2 . ]" 1
224 1 23 THR HA 1 23 THR HG1 2.170 . 3.390 2.311 2.121 2.619 . 0 0 "[ . 1 . 2 . ]" 1
225 1 23 THR HA 1 26 GLU H 2.990 . 3.890 4.098 4.047 4.147 0.257 25 0 "[ . 1 . 2 . ]" 1
226 1 23 THR HA 1 26 GLU QB 2.630 . 4.630 3.731 3.096 4.408 . 0 0 "[ . 1 . 2 . ]" 1
227 1 23 THR HA 1 26 GLU QG 4.010 . 6.510 3.389 2.224 4.885 . 0 0 "[ . 1 . 2 . ]" 1
228 1 23 THR HB 1 23 THR HG1 2.140 . 3.350 1.943 1.876 2.062 . 0 0 "[ . 1 . 2 . ]" 1
229 1 23 THR HB 1 24 LEU H 2.880 . 3.780 3.164 2.692 3.844 0.064 25 0 "[ . 1 . 2 . ]" 1
230 1 24 LEU H 1 25 HIS H 3.500 . 4.200 2.186 2.104 2.346 . 0 0 "[ . 1 . 2 . ]" 1
231 1 24 LEU HA 1 25 HIS H 2.920 . 3.500 3.550 3.540 3.561 0.061 29 0 "[ . 1 . 2 . ]" 1
232 1 24 LEU HA 1 27 LEU QB 2.890 . 3.190 2.629 2.048 3.196 0.006 13 0 "[ . 1 . 2 . ]" 1
233 1 24 LEU QB 1 25 HIS H 4.130 . 6.630 3.345 3.304 3.380 . 0 0 "[ . 1 . 2 . ]" 1
234 1 24 LEU QB 1 27 LEU H 3.500 . 5.000 4.684 4.605 4.849 . 0 0 "[ . 1 . 2 . ]" 1
235 1 24 LEU MD1 1 25 HIS H 3.350 . 5.010 2.393 2.333 2.472 . 0 0 "[ . 1 . 2 . ]" 1
236 1 24 LEU MD2 1 25 HIS H 3.800 . 5.560 3.689 3.597 3.782 . 0 0 "[ . 1 . 2 . ]" 1
237 1 24 LEU HG 1 25 HIS H 3.170 . 3.810 1.954 1.829 2.082 . 0 0 "[ . 1 . 2 . ]" 1
238 1 24 LEU HG 1 27 LEU H 3.500 . 5.000 5.271 5.175 5.354 0.354 6 0 "[ . 1 . 2 . ]" 1
239 1 25 HIS H 1 25 HIS HB2 2.790 . 3.290 3.329 3.268 3.375 0.085 8 0 "[ . 1 . 2 . ]" 1
240 1 25 HIS H 1 25 HIS HB3 2.850 . 3.350 2.127 2.104 2.139 . 0 0 "[ . 1 . 2 . ]" 1
241 1 25 HIS H 1 26 GLU H 2.700 . 3.200 2.563 2.502 2.596 . 0 0 "[ . 1 . 2 . ]" 1
242 1 25 HIS HA 1 26 GLU H 3.250 . 3.910 3.502 3.480 3.525 . 0 0 "[ . 1 . 2 . ]" 1
243 1 25 HIS HA 1 27 LEU QD 3.000 . 5.000 5.093 4.998 5.182 0.182 28 0 "[ . 1 . 2 . ]" 1
244 1 25 HIS HA 1 28 LEU H 3.500 . 5.000 3.909 3.114 5.020 0.020 19 0 "[ . 1 . 2 . ]" 1
245 1 25 HIS HB2 1 26 GLU H 3.610 . 4.330 4.348 4.313 4.390 0.060 6 0 "[ . 1 . 2 . ]" 1
246 1 25 HIS HB3 1 25 HIS HD2 2.910 . 3.210 2.694 2.678 2.732 . 0 0 "[ . 1 . 2 . ]" 1
247 1 25 HIS HB3 1 26 GLU H 3.160 . 3.800 3.488 3.423 3.566 . 0 0 "[ . 1 . 2 . ]" 1
248 1 26 GLU H 1 26 GLU HA 2.710 . 3.520 2.879 2.836 2.922 . 0 0 "[ . 1 . 2 . ]" 1
249 1 26 GLU H 1 26 GLU QB 2.420 . 4.420 2.369 2.208 2.496 . 0 0 "[ . 1 . 2 . ]" 1
250 1 26 GLU H 1 26 GLU QG 3.430 . 6.110 3.126 2.236 4.065 . 0 0 "[ . 1 . 2 . ]" 1
251 1 26 GLU H 1 27 LEU H 3.950 . 4.750 2.390 2.203 2.538 . 0 0 "[ . 1 . 2 . ]" 1
252 1 26 GLU HA 1 27 LEU H 3.050 . 4.050 3.448 3.376 3.485 . 0 0 "[ . 1 . 2 . ]" 1
253 1 26 GLU HA 1 27 LEU QB 3.670 . 6.070 5.314 5.062 5.525 . 0 0 "[ . 1 . 2 . ]" 1
254 1 26 GLU QB 1 27 LEU H 2.750 . 4.750 3.409 2.898 3.774 . 0 0 "[ . 1 . 2 . ]" 1
255 1 26 GLU HG3 1 27 LEU H 3.550 . 4.250 3.442 2.281 4.317 0.067 11 0 "[ . 1 . 2 . ]" 1
256 1 28 LEU QB 1 29 GLY QA 3.500 . 5.000 3.906 3.497 4.334 . 0 0 "[ . 1 . 2 . ]" 1
257 1 29 GLY H 1 29 GLY QA 2.240 . 4.440 2.296 2.211 2.502 . 0 0 "[ . 1 . 2 . ]" 1
258 1 29 GLY QA 1 30 GLU H 2.920 . 4.920 2.291 2.113 2.702 . 0 0 "[ . 1 . 2 . ]" 1
259 1 29 GLY QA 1 30 GLU QB 3.920 2.800 5.020 4.112 3.545 4.613 . 0 0 "[ . 1 . 2 . ]" 1
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