NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
494311 |
2l79   |
17347 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l79
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 318
_Distance_constraint_stats_list.Viol_count 170
_Distance_constraint_stats_list.Viol_total 118.001
_Distance_constraint_stats_list.Viol_max 0.456
_Distance_constraint_stats_list.Viol_rms 0.0241
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0694
_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 5 GLN 0.000 0.000 . 0 "[ . 1]"
1 6 LYS 0.000 0.000 . 0 "[ . 1]"
1 7 GLU 0.000 0.000 . 0 "[ . 1]"
1 8 LYS 0.278 0.152 4 0 "[ . 1]"
1 9 SER 0.000 0.000 . 0 "[ . 1]"
1 11 LEU 0.000 0.000 . 0 "[ . 1]"
1 12 GLN 0.000 0.000 . 0 "[ . 1]"
1 13 GLY 0.000 0.000 . 0 "[ . 1]"
1 14 GLY 0.070 0.038 4 0 "[ . 1]"
1 15 VAL 0.000 0.000 9 0 "[ . 1]"
1 16 LEU 0.070 0.038 4 0 "[ . 1]"
1 17 VAL 0.207 0.064 8 0 "[ . 1]"
1 18 ASN 0.251 0.064 8 0 "[ . 1]"
1 19 GLU 0.707 0.071 8 0 "[ . 1]"
1 20 ILE 0.650 0.073 6 0 "[ . 1]"
1 21 LEU 1.435 0.217 9 0 "[ . 1]"
1 22 ASN 4.408 0.265 7 0 "[ . 1]"
1 23 HIS 5.150 0.456 9 0 "[ . 1]"
1 24 MET 1.437 0.456 9 0 "[ . 1]"
1 25 LYS 2.004 0.265 7 0 "[ . 1]"
1 26 ARG 0.033 0.027 5 0 "[ . 1]"
1 27 ALA 0.003 0.003 7 0 "[ . 1]"
1 28 THR 0.326 0.296 5 0 "[ . 1]"
1 29 GLN 0.319 0.122 3 0 "[ . 1]"
1 30 ILE 0.159 0.122 3 0 "[ . 1]"
1 31 PRO 0.072 0.049 10 0 "[ . 1]"
1 32 SER 0.000 0.000 . 0 "[ . 1]"
1 33 TYR 1.750 0.293 10 0 "[ . 1]"
1 34 LYS 1.671 0.293 10 0 "[ . 1]"
1 35 LYS 0.695 0.288 10 0 "[ . 1]"
1 36 LEU 0.288 0.288 10 0 "[ . 1]"
1 37 ILE 0.242 0.109 2 0 "[ . 1]"
1 38 MET 0.008 0.004 1 0 "[ . 1]"
1 39 TYR 0.250 0.109 2 0 "[ . 1]"
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 5 GLN QB 1 6 LYS H . . 4.830 3.168 2.284 3.987 . 0 0 "[ . 1]" 1
2 1 6 LYS QG 1 7 GLU H . . 5.500 3.520 2.247 4.506 . 0 0 "[ . 1]" 1
3 1 7 GLU H 1 7 GLU QB . . 3.730 2.627 2.256 3.019 . 0 0 "[ . 1]" 1
4 1 7 GLU H 1 7 GLU QG . . 4.110 2.846 1.937 4.072 . 0 0 "[ . 1]" 1
5 1 7 GLU H 1 8 LYS H . . 4.970 3.180 1.936 4.614 . 0 0 "[ . 1]" 1
6 1 7 GLU QB 1 8 LYS H . . 4.070 2.949 2.048 4.013 . 0 0 "[ . 1]" 1
7 1 7 GLU QG 1 8 LYS H . . 4.490 3.779 2.099 4.404 . 0 0 "[ . 1]" 1
8 1 8 LYS H 1 8 LYS HB2 . . 4.000 3.060 2.291 3.742 . 0 0 "[ . 1]" 1
9 1 8 LYS H 1 8 LYS HB3 . . 4.000 3.342 2.583 3.795 . 0 0 "[ . 1]" 1
10 1 8 LYS H 1 8 LYS HD2 . . 4.690 4.061 2.730 4.750 0.060 4 0 "[ . 1]" 1
11 1 8 LYS H 1 8 LYS QD . . 4.080 3.670 2.622 4.232 0.152 4 0 "[ . 1]" 1
12 1 8 LYS H 1 8 LYS HD3 . . 4.690 4.306 3.391 4.751 0.061 4 0 "[ . 1]" 1
13 1 8 LYS H 1 8 LYS QG . . 4.740 2.764 2.034 4.492 . 0 0 "[ . 1]" 1
14 1 8 LYS QB 1 9 SER H . . 4.390 3.138 2.202 3.897 . 0 0 "[ . 1]" 1
15 1 11 LEU H 1 11 LEU HB2 . . 3.900 2.763 2.231 3.732 . 0 0 "[ . 1]" 1
16 1 11 LEU H 1 11 LEU QB . . 3.310 2.487 2.208 3.082 . 0 0 "[ . 1]" 1
17 1 11 LEU H 1 11 LEU HB3 . . 3.900 3.398 2.669 3.643 . 0 0 "[ . 1]" 1
18 1 11 LEU H 1 11 LEU QD . . 3.950 2.865 1.966 3.486 . 0 0 "[ . 1]" 1
19 1 11 LEU H 1 11 LEU HG . . 3.680 2.653 2.052 3.476 . 0 0 "[ . 1]" 1
20 1 11 LEU QD 1 12 GLN H . . 4.540 3.193 2.407 4.036 . 0 0 "[ . 1]" 1
21 1 12 GLN H 1 12 GLN QB . . 3.680 2.412 2.205 3.143 . 0 0 "[ . 1]" 1
22 1 12 GLN H 1 12 GLN HG2 . . 4.380 3.246 2.064 3.964 . 0 0 "[ . 1]" 1
23 1 12 GLN H 1 12 GLN QG . . 3.770 2.635 2.047 3.438 . 0 0 "[ . 1]" 1
24 1 12 GLN H 1 12 GLN HG3 . . 4.380 3.144 2.107 3.856 . 0 0 "[ . 1]" 1
25 1 12 GLN QB 1 13 GLY H . . 4.820 2.754 2.250 3.816 . 0 0 "[ . 1]" 1
26 1 13 GLY QA 1 15 VAL H . . 4.570 3.529 3.143 3.654 . 0 0 "[ . 1]" 1
27 1 14 GLY H 1 15 VAL H . . 4.510 2.875 2.850 2.957 . 0 0 "[ . 1]" 1
28 1 14 GLY H 1 15 VAL HA . . 5.390 5.371 5.326 5.390 0.000 9 0 "[ . 1]" 1
29 1 14 GLY H 1 15 VAL MG1 . . 4.830 4.108 4.058 4.137 . 0 0 "[ . 1]" 1
30 1 14 GLY H 1 15 VAL MG2 . . 4.830 4.100 4.011 4.401 . 0 0 "[ . 1]" 1
31 1 14 GLY H 1 16 LEU H . . 4.980 4.525 4.414 4.842 . 0 0 "[ . 1]" 1
32 1 14 GLY H 1 16 LEU QB . . 5.500 5.234 5.089 5.538 0.038 4 0 "[ . 1]" 1
33 1 15 VAL H 1 15 VAL HB . . 3.970 3.618 3.617 3.620 . 0 0 "[ . 1]" 1
34 1 15 VAL H 1 15 VAL MG1 . . 3.530 2.001 1.961 2.056 . 0 0 "[ . 1]" 1
35 1 15 VAL H 1 15 VAL QG . . 2.890 1.849 1.839 1.859 . 0 0 "[ . 1]" 1
36 1 15 VAL H 1 15 VAL MG2 . . 3.530 2.179 2.119 2.224 . 0 0 "[ . 1]" 1
37 1 15 VAL HA 1 18 ASN H . . 3.980 3.625 3.391 3.716 . 0 0 "[ . 1]" 1
38 1 15 VAL HA 1 18 ASN QD . . 4.570 3.633 2.503 4.534 . 0 0 "[ . 1]" 1
39 1 15 VAL HB 1 16 LEU H . . 4.820 3.844 3.805 3.881 . 0 0 "[ . 1]" 1
40 1 15 VAL QG 1 16 LEU H . . 3.540 2.170 2.131 2.203 . 0 0 "[ . 1]" 1
41 1 15 VAL QG 1 18 ASN QB . . 4.790 4.128 3.739 4.343 . 0 0 "[ . 1]" 1
42 1 15 VAL MG1 1 16 LEU H . . 4.460 3.930 3.908 3.975 . 0 0 "[ . 1]" 1
43 1 15 VAL MG2 1 16 LEU H . . 4.460 2.181 2.140 2.214 . 0 0 "[ . 1]" 1
44 1 16 LEU H 1 16 LEU QB . . 3.290 2.152 2.035 2.376 . 0 0 "[ . 1]" 1
45 1 16 LEU H 1 16 LEU MD1 . . 4.730 3.705 2.149 4.295 . 0 0 "[ . 1]" 1
46 1 16 LEU H 1 16 LEU MD2 . . 4.730 3.847 2.236 4.401 . 0 0 "[ . 1]" 1
47 1 16 LEU H 1 17 VAL H . . 3.940 2.856 2.814 3.012 . 0 0 "[ . 1]" 1
48 1 16 LEU H 1 17 VAL QG . . 4.960 3.934 3.592 4.301 . 0 0 "[ . 1]" 1
49 1 16 LEU HA 1 19 GLU H . . 4.070 3.672 3.567 3.737 . 0 0 "[ . 1]" 1
50 1 16 LEU QB 1 17 VAL H . . 3.810 2.685 2.176 2.846 . 0 0 "[ . 1]" 1
51 1 16 LEU QB 1 19 GLU H . . 5.500 4.704 4.434 4.998 . 0 0 "[ . 1]" 1
52 1 16 LEU QD 1 19 GLU H . . 5.440 4.150 3.309 5.179 . 0 0 "[ . 1]" 1
53 1 17 VAL H 1 17 VAL HB . . 3.820 2.854 2.450 3.617 . 0 0 "[ . 1]" 1
54 1 17 VAL H 1 17 VAL MG1 . . 4.020 2.765 1.964 3.774 . 0 0 "[ . 1]" 1
55 1 17 VAL H 1 17 VAL QG . . 3.030 2.012 1.840 2.215 . 0 0 "[ . 1]" 1
56 1 17 VAL H 1 17 VAL MG2 . . 4.020 2.595 1.985 3.760 . 0 0 "[ . 1]" 1
57 1 17 VAL H 1 18 ASN H . . 4.490 2.836 2.818 2.878 . 0 0 "[ . 1]" 1
58 1 17 VAL HA 1 19 GLU H . . 4.700 3.813 3.733 3.956 . 0 0 "[ . 1]" 1
59 1 17 VAL HA 1 20 ILE H . . 3.980 3.771 3.736 3.792 . 0 0 "[ . 1]" 1
60 1 17 VAL HB 1 18 ASN H . . 4.170 3.407 2.569 3.979 . 0 0 "[ . 1]" 1
61 1 17 VAL QG 1 18 ASN H . . 3.740 2.575 2.159 3.259 . 0 0 "[ . 1]" 1
62 1 17 VAL QG 1 18 ASN QB . . 4.210 3.835 3.216 4.274 0.064 8 0 "[ . 1]" 1
63 1 17 VAL QG 1 19 GLU H . . 4.460 4.137 3.940 4.342 . 0 0 "[ . 1]" 1
64 1 17 VAL QG 1 20 ILE H . . 4.600 3.928 3.614 4.422 . 0 0 "[ . 1]" 1
65 1 17 VAL MG1 1 18 ASN H . . 4.400 3.183 2.173 3.907 . 0 0 "[ . 1]" 1
66 1 17 VAL MG1 1 18 ASN QB . . 5.450 4.513 3.267 5.448 . 0 0 "[ . 1]" 1
67 1 17 VAL MG1 1 19 GLU H . . 5.500 4.685 4.271 5.239 . 0 0 "[ . 1]" 1
68 1 17 VAL MG2 1 18 ASN H . . 4.400 3.320 2.175 3.931 . 0 0 "[ . 1]" 1
69 1 17 VAL MG2 1 18 ASN QB . . 5.450 4.683 3.646 5.346 . 0 0 "[ . 1]" 1
70 1 17 VAL MG2 1 19 GLU H . . 5.500 4.764 4.281 5.235 . 0 0 "[ . 1]" 1
71 1 18 ASN H 1 18 ASN QB . . 3.040 2.173 2.045 2.403 . 0 0 "[ . 1]" 1
72 1 18 ASN H 1 18 ASN HD21 . . 4.750 2.854 2.149 3.989 . 0 0 "[ . 1]" 1
73 1 18 ASN H 1 18 ASN QD . . 4.180 2.787 2.138 3.678 . 0 0 "[ . 1]" 1
74 1 18 ASN H 1 18 ASN HD22 . . 4.750 4.237 3.792 4.768 0.018 8 0 "[ . 1]" 1
75 1 18 ASN H 1 19 GLU H . . 3.800 2.810 2.806 2.815 . 0 0 "[ . 1]" 1
76 1 18 ASN H 1 20 ILE H . . 4.850 4.361 4.314 4.404 . 0 0 "[ . 1]" 1
77 1 18 ASN HA 1 18 ASN QD . . 4.400 3.025 2.138 4.127 . 0 0 "[ . 1]" 1
78 1 18 ASN HA 1 20 ILE H . . 5.000 3.665 3.611 3.737 . 0 0 "[ . 1]" 1
79 1 18 ASN HA 1 21 LEU H . . 4.100 3.743 3.670 3.813 . 0 0 "[ . 1]" 1
80 1 18 ASN QB 1 18 ASN HD22 . . 3.570 3.344 3.226 3.396 . 0 0 "[ . 1]" 1
81 1 18 ASN QB 1 19 GLU H . . 3.730 2.962 2.801 3.494 . 0 0 "[ . 1]" 1
82 1 18 ASN QB 1 21 LEU MD1 . . 5.500 4.341 3.363 5.028 . 0 0 "[ . 1]" 1
83 1 18 ASN QB 1 21 LEU QD . . 4.070 3.008 2.506 3.931 . 0 0 "[ . 1]" 1
84 1 18 ASN QB 1 21 LEU MD2 . . 5.500 3.536 2.516 5.143 . 0 0 "[ . 1]" 1
85 1 19 GLU H 1 19 GLU HB2 . . 3.600 3.535 3.515 3.582 . 0 0 "[ . 1]" 1
86 1 19 GLU H 1 19 GLU HB3 . . 3.530 2.238 2.199 2.355 . 0 0 "[ . 1]" 1
87 1 19 GLU H 1 19 GLU HG2 . . 3.720 2.806 2.490 2.900 . 0 0 "[ . 1]" 1
88 1 19 GLU H 1 19 GLU HG3 . . 4.350 4.078 3.857 4.129 . 0 0 "[ . 1]" 1
89 1 19 GLU H 1 20 ILE H . . 3.910 2.800 2.793 2.813 . 0 0 "[ . 1]" 1
90 1 19 GLU H 1 20 ILE MG . . 5.240 3.976 3.947 3.993 . 0 0 "[ . 1]" 1
91 1 19 GLU H 1 21 LEU QD . . 5.440 4.703 4.285 5.323 . 0 0 "[ . 1]" 1
92 1 19 GLU HA 1 21 LEU H . . 5.050 4.011 3.955 4.114 . 0 0 "[ . 1]" 1
93 1 19 GLU HA 1 22 ASN H . . 3.970 3.423 3.416 3.445 . 0 0 "[ . 1]" 1
94 1 19 GLU HA 1 22 ASN HD21 . . 3.980 2.989 1.949 3.259 . 0 0 "[ . 1]" 1
95 1 19 GLU HA 1 22 ASN HD22 . . 4.920 4.411 2.369 4.932 0.012 10 0 "[ . 1]" 1
96 1 19 GLU HA 1 23 HIS H . . 5.500 5.226 5.025 5.571 0.071 8 0 "[ . 1]" 1
97 1 19 GLU HB2 1 22 ASN H . . 5.000 4.849 4.788 4.948 . 0 0 "[ . 1]" 1
98 1 19 GLU HB3 1 20 ILE H . . 4.230 3.844 3.826 3.938 . 0 0 "[ . 1]" 1
99 1 19 GLU HG2 1 20 ILE H . . 5.500 2.196 2.089 2.273 . 0 0 "[ . 1]" 1
100 1 19 GLU HG2 1 23 HIS HD1 . . 5.500 5.502 5.244 5.541 0.041 2 0 "[ . 1]" 1
101 1 19 GLU HG3 1 20 ILE H . . 4.970 3.293 2.987 3.390 . 0 0 "[ . 1]" 1
102 1 19 GLU HG3 1 23 HIS HD1 . . 5.010 4.925 4.423 5.059 0.049 7 0 "[ . 1]" 1
103 1 20 ILE H 1 20 ILE HB . . 3.560 2.494 2.476 2.502 . 0 0 "[ . 1]" 1
104 1 20 ILE H 1 20 ILE MD . . 4.370 4.164 4.045 4.197 . 0 0 "[ . 1]" 1
105 1 20 ILE H 1 20 ILE QG . . 4.280 4.030 4.019 4.069 . 0 0 "[ . 1]" 1
106 1 20 ILE H 1 20 ILE MG . . 3.840 2.147 2.130 2.176 . 0 0 "[ . 1]" 1
107 1 20 ILE H 1 21 LEU H . . 4.170 2.879 2.851 2.889 . 0 0 "[ . 1]" 1
108 1 20 ILE H 1 21 LEU QD . . 5.440 4.400 4.343 4.490 . 0 0 "[ . 1]" 1
109 1 20 ILE H 1 22 ASN H . . 4.950 4.487 4.394 4.579 . 0 0 "[ . 1]" 1
110 1 20 ILE H 1 22 ASN HB2 . . 5.500 5.264 5.229 5.363 . 0 0 "[ . 1]" 1
111 1 20 ILE HA 1 22 ASN H . . 4.590 4.330 4.112 4.490 . 0 0 "[ . 1]" 1
112 1 20 ILE HA 1 23 HIS H . . 3.920 3.781 3.742 3.961 0.041 9 0 "[ . 1]" 1
113 1 20 ILE HA 1 23 HIS HD1 . . 3.560 2.102 1.914 2.180 . 0 0 "[ . 1]" 1
114 1 20 ILE HA 1 24 MET H . . 4.880 4.194 4.103 4.223 . 0 0 "[ . 1]" 1
115 1 20 ILE HB 1 21 LEU H . . 3.960 3.891 3.866 3.916 . 0 0 "[ . 1]" 1
116 1 20 ILE HB 1 23 HIS HD1 . . 4.360 4.026 3.979 4.238 . 0 0 "[ . 1]" 1
117 1 20 ILE MD 1 21 LEU H . . 5.340 4.824 4.671 4.882 . 0 0 "[ . 1]" 1
118 1 20 ILE MD 1 23 HIS H . . 5.500 5.397 4.588 5.573 0.073 6 0 "[ . 1]" 1
119 1 20 ILE MD 1 23 HIS HD1 . . 4.260 2.776 2.224 2.875 . 0 0 "[ . 1]" 1
120 1 20 ILE MD 1 23 HIS HE1 . . 3.800 2.220 1.932 3.436 . 0 0 "[ . 1]" 1
121 1 20 ILE MD 1 24 MET H . . 5.500 4.722 3.781 4.939 . 0 0 "[ . 1]" 1
122 1 20 ILE QG 1 21 LEU H . . 4.100 3.632 3.586 3.686 . 0 0 "[ . 1]" 1
123 1 20 ILE QG 1 23 HIS H . . 5.360 4.802 4.721 5.048 . 0 0 "[ . 1]" 1
124 1 20 ILE QG 1 23 HIS QB . . 4.840 4.325 4.261 4.446 . 0 0 "[ . 1]" 1
125 1 20 ILE QG 1 23 HIS HD1 . . 3.790 2.277 2.002 3.209 . 0 0 "[ . 1]" 1
126 1 20 ILE QG 1 23 HIS HE1 . . 4.540 2.630 2.121 4.577 0.037 9 0 "[ . 1]" 1
127 1 20 ILE QG 1 24 MET H . . 4.540 3.591 3.431 3.627 . 0 0 "[ . 1]" 1
128 1 20 ILE QG 1 24 MET HG2 . . 3.610 3.397 2.602 3.615 0.005 6 0 "[ . 1]" 1
129 1 20 ILE QG 1 24 MET QG . . 3.140 2.780 2.330 2.918 . 0 0 "[ . 1]" 1
130 1 20 ILE QG 1 24 MET HG3 . . 3.610 2.964 2.542 3.094 . 0 0 "[ . 1]" 1
131 1 20 ILE MG 1 21 LEU H . . 4.630 1.943 1.880 2.027 . 0 0 "[ . 1]" 1
132 1 20 ILE MG 1 23 HIS HD1 . . 4.690 4.227 4.179 4.415 . 0 0 "[ . 1]" 1
133 1 21 LEU H 1 21 LEU HB2 . . 3.690 3.218 2.621 3.596 . 0 0 "[ . 1]" 1
134 1 21 LEU H 1 21 LEU QB . . 3.230 2.487 2.343 2.601 . 0 0 "[ . 1]" 1
135 1 21 LEU H 1 21 LEU HB3 . . 3.690 2.912 2.375 3.593 . 0 0 "[ . 1]" 1
136 1 21 LEU H 1 21 LEU MD1 . . 4.680 3.802 3.748 3.899 . 0 0 "[ . 1]" 1
137 1 21 LEU H 1 21 LEU QD . . 3.230 2.722 2.453 2.991 . 0 0 "[ . 1]" 1
138 1 21 LEU H 1 21 LEU MD2 . . 4.680 2.796 2.487 3.107 . 0 0 "[ . 1]" 1
139 1 21 LEU H 1 21 LEU HG . . 3.910 2.296 2.147 2.533 . 0 0 "[ . 1]" 1
140 1 21 LEU H 1 22 ASN H . . 3.820 2.874 2.809 2.900 . 0 0 "[ . 1]" 1
141 1 21 LEU H 1 22 ASN HB2 . . 5.450 4.683 4.628 4.887 . 0 0 "[ . 1]" 1
142 1 21 LEU QD 1 22 ASN H . . 3.880 2.968 2.258 3.965 0.085 5 0 "[ . 1]" 1
143 1 21 LEU QD 1 23 HIS H . . 5.440 4.969 4.492 5.657 0.217 9 0 "[ . 1]" 1
144 1 21 LEU MD1 1 22 ASN H . . 4.720 3.200 2.279 4.513 . 0 0 "[ . 1]" 1
145 1 21 LEU MD2 1 22 ASN H . . 4.720 3.965 3.668 4.394 . 0 0 "[ . 1]" 1
146 1 21 LEU HG 1 22 ASN H . . 4.030 2.794 1.914 4.121 0.091 9 0 "[ . 1]" 1
147 1 22 ASN H 1 22 ASN HB2 . . 3.480 2.158 2.069 2.533 . 0 0 "[ . 1]" 1
148 1 22 ASN H 1 22 ASN HB3 . . 3.640 3.403 3.342 3.624 . 0 0 "[ . 1]" 1
149 1 22 ASN H 1 22 ASN HD21 . . 4.500 3.275 2.772 3.466 . 0 0 "[ . 1]" 1
150 1 22 ASN H 1 22 ASN HD22 . . 4.930 4.500 3.639 4.734 . 0 0 "[ . 1]" 1
151 1 22 ASN H 1 23 HIS H . . 4.260 3.117 3.089 3.270 . 0 0 "[ . 1]" 1
152 1 22 ASN HA 1 22 ASN HD21 . . 4.140 3.827 3.597 4.163 0.023 9 0 "[ . 1]" 1
153 1 22 ASN HA 1 22 ASN HD22 . . 4.690 4.144 3.984 4.458 . 0 0 "[ . 1]" 1
154 1 22 ASN HA 1 24 MET H . . 5.110 4.521 4.376 5.012 . 0 0 "[ . 1]" 1
155 1 22 ASN HA 1 25 LYS H . . 4.020 3.767 3.731 3.881 . 0 0 "[ . 1]" 1
156 1 22 ASN HB2 1 22 ASN HD22 . . 3.770 3.444 3.441 3.451 . 0 0 "[ . 1]" 1
157 1 22 ASN HB2 1 23 HIS H . . 3.960 2.667 2.097 2.808 . 0 0 "[ . 1]" 1
158 1 22 ASN HB2 1 23 HIS HD1 . . 5.500 5.263 3.939 5.605 0.105 5 0 "[ . 1]" 1
159 1 22 ASN HB2 1 24 MET H . . 5.500 4.954 4.703 5.020 . 0 0 "[ . 1]" 1
160 1 22 ASN HB2 1 25 LYS H . . 5.500 5.684 5.363 5.765 0.265 7 0 "[ . 1]" 1
161 1 22 ASN HB3 1 22 ASN HD22 . . 4.010 3.971 3.946 4.007 . 0 0 "[ . 1]" 1
162 1 22 ASN HB3 1 23 HIS H . . 4.030 2.445 2.304 2.936 . 0 0 "[ . 1]" 1
163 1 22 ASN HB3 1 23 HIS HD1 . . 5.500 5.566 5.288 5.661 0.161 4 0 "[ . 1]" 1
164 1 22 ASN HB3 1 24 MET H . . 5.500 4.920 4.752 5.512 0.012 8 0 "[ . 1]" 1
165 1 22 ASN HB3 1 25 LYS H . . 5.500 5.192 5.119 5.436 . 0 0 "[ . 1]" 1
166 1 23 HIS H 1 23 HIS HB2 . . 3.570 3.316 3.108 3.369 . 0 0 "[ . 1]" 1
167 1 23 HIS H 1 23 HIS HB3 . . 3.570 2.342 2.068 3.429 . 0 0 "[ . 1]" 1
168 1 23 HIS H 1 23 HIS HD1 . . 4.560 3.186 2.528 3.341 . 0 0 "[ . 1]" 1
169 1 23 HIS H 1 24 MET H . . 3.800 2.812 2.794 2.879 . 0 0 "[ . 1]" 1
170 1 23 HIS H 1 25 LYS H . . 5.410 4.208 4.073 4.236 . 0 0 "[ . 1]" 1
171 1 23 HIS HA 1 23 HIS HD1 . . 4.830 4.580 4.444 4.612 . 0 0 "[ . 1]" 1
172 1 23 HIS HA 1 25 LYS H . . 4.850 3.883 3.786 4.065 . 0 0 "[ . 1]" 1
173 1 23 HIS QB 1 23 HIS HD1 . . 3.180 2.523 2.512 2.568 . 0 0 "[ . 1]" 1
174 1 23 HIS QB 1 24 MET H . . 3.560 3.070 2.361 3.248 . 0 0 "[ . 1]" 1
175 1 23 HIS HB2 1 24 MET H . . 4.180 3.778 2.383 4.128 . 0 0 "[ . 1]" 1
176 1 23 HIS HB3 1 24 MET H . . 4.180 3.479 3.373 3.917 . 0 0 "[ . 1]" 1
177 1 23 HIS HD1 1 24 MET H . . 4.830 2.786 2.776 2.822 . 0 0 "[ . 1]" 1
178 1 23 HIS HD1 1 24 MET HB2 . . 4.450 4.022 3.950 4.331 . 0 0 "[ . 1]" 1
179 1 23 HIS HD1 1 24 MET HB3 . . 5.500 5.618 5.535 5.956 0.456 9 0 "[ . 1]" 1
180 1 23 HIS HD1 1 24 MET QG . . 3.990 3.930 3.866 4.044 0.054 9 0 "[ . 1]" 1
181 1 24 MET H 1 24 MET HB2 . . 3.480 2.092 2.066 2.190 . 0 0 "[ . 1]" 1
182 1 24 MET H 1 24 MET HB3 . . 3.740 3.386 3.351 3.510 . 0 0 "[ . 1]" 1
183 1 24 MET H 1 24 MET HG2 . . 3.840 3.426 2.896 3.579 . 0 0 "[ . 1]" 1
184 1 24 MET H 1 24 MET QG . . 3.260 3.178 2.819 3.273 0.013 10 0 "[ . 1]" 1
185 1 24 MET H 1 24 MET HG3 . . 3.840 3.820 3.732 3.869 0.029 9 0 "[ . 1]" 1
186 1 24 MET H 1 25 LYS H . . 3.790 2.787 2.770 2.853 . 0 0 "[ . 1]" 1
187 1 24 MET H 1 26 ARG H . . 5.000 4.520 4.408 4.680 . 0 0 "[ . 1]" 1
188 1 24 MET HA 1 26 ARG H . . 4.270 3.989 3.725 4.273 0.003 5 0 "[ . 1]" 1
189 1 24 MET HB2 1 25 LYS H . . 3.790 3.233 2.966 3.320 . 0 0 "[ . 1]" 1
190 1 24 MET QG 1 25 LYS H . . 4.600 4.557 4.464 4.589 . 0 0 "[ . 1]" 1
191 1 24 MET HG2 1 25 LYS H . . 5.420 4.967 4.867 4.998 . 0 0 "[ . 1]" 1
192 1 24 MET HG3 1 25 LYS H . . 5.420 5.301 5.191 5.344 . 0 0 "[ . 1]" 1
193 1 25 LYS H 1 25 LYS HB2 . . 3.750 2.507 2.238 3.553 . 0 0 "[ . 1]" 1
194 1 25 LYS H 1 25 LYS QB . . 3.230 2.293 2.162 2.582 . 0 0 "[ . 1]" 1
195 1 25 LYS H 1 25 LYS HB3 . . 3.750 2.968 2.271 3.603 . 0 0 "[ . 1]" 1
196 1 25 LYS H 1 25 LYS QD . . 5.140 4.141 3.585 4.746 . 0 0 "[ . 1]" 1
197 1 25 LYS H 1 25 LYS HG2 . . 4.870 3.768 2.173 4.629 . 0 0 "[ . 1]" 1
198 1 25 LYS H 1 25 LYS QG . . 4.240 3.276 2.146 4.065 . 0 0 "[ . 1]" 1
199 1 25 LYS H 1 25 LYS HG3 . . 4.870 3.848 2.165 4.511 . 0 0 "[ . 1]" 1
200 1 25 LYS H 1 26 ARG H . . 3.800 2.857 2.805 2.924 . 0 0 "[ . 1]" 1
201 1 25 LYS H 1 27 ALA H . . 5.500 4.396 4.202 4.635 . 0 0 "[ . 1]" 1
202 1 25 LYS HA 1 28 THR H . . 4.510 3.671 2.916 4.456 . 0 0 "[ . 1]" 1
203 1 25 LYS QB 1 26 ARG H . . 3.930 2.660 2.365 3.507 . 0 0 "[ . 1]" 1
204 1 25 LYS QG 1 26 ARG H . . 4.670 3.831 2.197 4.401 . 0 0 "[ . 1]" 1
205 1 26 ARG H 1 26 ARG HB2 . . 3.660 2.613 2.096 3.575 . 0 0 "[ . 1]" 1
206 1 26 ARG H 1 26 ARG HB3 . . 3.660 3.015 2.313 3.604 . 0 0 "[ . 1]" 1
207 1 26 ARG H 1 26 ARG QG . . 4.130 2.990 2.144 3.980 . 0 0 "[ . 1]" 1
208 1 26 ARG H 1 27 ALA H . . 3.600 2.848 2.785 2.999 . 0 0 "[ . 1]" 1
209 1 26 ARG H 1 27 ALA MB . . 5.480 4.532 4.472 4.615 . 0 0 "[ . 1]" 1
210 1 26 ARG HA 1 28 THR H . . 5.020 4.084 3.422 5.047 0.027 5 0 "[ . 1]" 1
211 1 26 ARG QB 1 27 ALA H . . 3.720 2.816 2.278 3.514 . 0 0 "[ . 1]" 1
212 1 26 ARG QG 1 27 ALA H . . 4.450 3.739 2.088 4.453 0.003 7 0 "[ . 1]" 1
213 1 27 ALA H 1 27 ALA MB . . 2.860 2.264 2.237 2.281 . 0 0 "[ . 1]" 1
214 1 27 ALA H 1 28 THR H . . 4.030 2.758 2.352 3.008 . 0 0 "[ . 1]" 1
215 1 27 ALA MB 1 28 THR H . . 3.810 2.994 2.304 3.644 . 0 0 "[ . 1]" 1
216 1 27 ALA MB 1 29 GLN H . . 4.920 3.789 2.642 4.340 . 0 0 "[ . 1]" 1
217 1 28 THR H 1 28 THR HB . . 3.720 3.369 2.517 4.016 0.296 5 0 "[ . 1]" 1
218 1 28 THR H 1 28 THR HG1 . . 3.260 2.811 2.087 3.257 . 0 0 "[ . 1]" 1
219 1 28 THR H 1 29 GLN H . . 4.290 2.731 2.566 2.937 . 0 0 "[ . 1]" 1
220 1 28 THR HG1 1 29 GLN H . . 5.370 4.288 2.269 4.947 . 0 0 "[ . 1]" 1
221 1 29 GLN H 1 29 GLN HB2 . . 3.770 3.310 2.548 3.690 . 0 0 "[ . 1]" 1
222 1 29 GLN H 1 29 GLN QB . . 3.270 2.598 2.400 3.336 0.066 3 0 "[ . 1]" 1
223 1 29 GLN H 1 29 GLN HB3 . . 3.770 3.003 2.437 3.806 0.036 3 0 "[ . 1]" 1
224 1 29 GLN H 1 29 GLN HG2 . . 3.910 2.727 1.996 3.062 . 0 0 "[ . 1]" 1
225 1 29 GLN H 1 29 GLN HG3 . . 3.910 2.912 2.167 3.794 . 0 0 "[ . 1]" 1
226 1 29 GLN HA 1 29 GLN HE21 . . 5.500 4.092 3.456 4.590 . 0 0 "[ . 1]" 1
227 1 29 GLN HA 1 29 GLN QE . . 4.690 3.959 3.404 4.372 . 0 0 "[ . 1]" 1
228 1 29 GLN HA 1 29 GLN HE22 . . 5.500 5.364 5.102 5.538 0.038 7 0 "[ . 1]" 1
229 1 29 GLN QB 1 30 ILE H . . 4.240 3.607 3.176 3.845 . 0 0 "[ . 1]" 1
230 1 29 GLN QG 1 30 ILE H . . 4.210 3.245 2.526 4.332 0.122 3 0 "[ . 1]" 1
231 1 29 GLN HG2 1 30 ILE H . . 4.970 3.973 2.549 4.899 . 0 0 "[ . 1]" 1
232 1 29 GLN HG3 1 30 ILE H . . 4.970 3.896 2.549 4.996 0.026 3 0 "[ . 1]" 1
233 1 30 ILE H 1 30 ILE MD . . 5.300 4.096 2.560 5.013 . 0 0 "[ . 1]" 1
234 1 30 ILE H 1 30 ILE QG . . 4.920 3.043 2.220 4.294 . 0 0 "[ . 1]" 1
235 1 30 ILE H 1 30 ILE MG . . 4.150 3.385 2.291 3.990 . 0 0 "[ . 1]" 1
236 1 30 ILE H 1 31 PRO HD2 . . 3.890 3.409 2.955 3.901 0.011 3 0 "[ . 1]" 1
237 1 30 ILE H 1 31 PRO HD3 . . 3.890 2.720 2.477 3.081 . 0 0 "[ . 1]" 1
238 1 31 PRO QB 1 33 TYR QD . . 4.220 2.759 2.042 3.801 . 0 0 "[ . 1]" 1
239 1 31 PRO QD 1 33 TYR QD . . 5.350 4.589 3.369 5.399 0.049 10 0 "[ . 1]" 1
240 1 31 PRO QD 1 33 TYR QE . . 5.350 4.302 3.793 4.905 . 0 0 "[ . 1]" 1
241 1 32 SER H 1 33 TYR H . . 4.740 2.512 1.985 2.778 . 0 0 "[ . 1]" 1
242 1 32 SER HA 1 33 TYR QD . . 5.230 4.355 3.759 5.141 . 0 0 "[ . 1]" 1
243 1 33 TYR H 1 33 TYR QB . . 3.610 2.394 2.264 2.664 . 0 0 "[ . 1]" 1
244 1 33 TYR H 1 33 TYR QD . . 4.020 2.081 1.901 2.724 . 0 0 "[ . 1]" 1
245 1 33 TYR HA 1 33 TYR QD . . 3.890 3.689 3.587 3.738 . 0 0 "[ . 1]" 1
246 1 33 TYR QB 1 34 LYS H . . 3.970 2.315 1.917 3.431 . 0 0 "[ . 1]" 1
247 1 33 TYR QD 1 34 LYS H . . 4.390 2.573 2.219 3.021 . 0 0 "[ . 1]" 1
248 1 33 TYR QD 1 34 LYS HA . . 4.370 4.088 3.496 4.486 0.116 1 0 "[ . 1]" 1
249 1 33 TYR QD 1 34 LYS QB . . 5.200 4.530 3.828 5.036 . 0 0 "[ . 1]" 1
250 1 33 TYR QD 1 34 LYS HD2 . . 5.500 4.239 2.507 5.504 0.004 5 0 "[ . 1]" 1
251 1 33 TYR QD 1 34 LYS QD . . 4.660 3.639 2.485 4.686 0.026 3 0 "[ . 1]" 1
252 1 33 TYR QD 1 34 LYS HD3 . . 5.500 4.319 3.056 5.534 0.034 10 0 "[ . 1]" 1
253 1 33 TYR QD 1 34 LYS QG . . 4.760 3.657 2.060 4.564 . 0 0 "[ . 1]" 1
254 1 33 TYR QD 1 35 LYS HA . . 4.690 3.830 3.356 4.682 . 0 0 "[ . 1]" 1
255 1 33 TYR QD 1 35 LYS QB . . 4.520 3.647 1.907 4.583 0.063 4 0 "[ . 1]" 1
256 1 33 TYR QD 1 35 LYS QD . . 5.500 4.778 3.866 5.513 0.013 1 0 "[ . 1]" 1
257 1 33 TYR QD 1 35 LYS QG . . 4.660 4.146 2.751 4.672 0.012 7 0 "[ . 1]" 1
258 1 33 TYR QE 1 34 LYS HA . . 5.190 4.904 4.196 5.332 0.142 4 0 "[ . 1]" 1
259 1 33 TYR QE 1 34 LYS QD . . 5.000 4.693 3.631 5.230 0.230 10 0 "[ . 1]" 1
260 1 33 TYR QE 1 34 LYS QG . . 5.340 4.946 3.412 5.633 0.293 10 0 "[ . 1]" 1
261 1 33 TYR QE 1 35 LYS HA . . 4.530 3.204 2.077 4.085 . 0 0 "[ . 1]" 1
262 1 33 TYR QE 1 35 LYS HB2 . . 4.610 3.231 1.994 4.657 0.047 4 0 "[ . 1]" 1
263 1 33 TYR QE 1 35 LYS QB . . 3.920 2.792 1.886 3.874 . 0 0 "[ . 1]" 1
264 1 33 TYR QE 1 35 LYS HB3 . . 4.610 3.526 1.936 4.677 0.067 6 0 "[ . 1]" 1
265 1 33 TYR QE 1 35 LYS QG . . 3.910 3.047 1.917 3.890 . 0 0 "[ . 1]" 1
266 1 34 LYS H 1 34 LYS QD . . 3.460 2.598 1.849 3.602 0.142 1 0 "[ . 1]" 1
267 1 34 LYS H 1 34 LYS HG2 . . 4.400 3.064 2.424 3.604 . 0 0 "[ . 1]" 1
268 1 34 LYS H 1 34 LYS QG . . 3.850 2.417 1.859 3.293 . 0 0 "[ . 1]" 1
269 1 34 LYS H 1 34 LYS HG3 . . 4.400 3.148 1.872 4.224 . 0 0 "[ . 1]" 1
270 1 34 LYS HA 1 35 LYS H . . 3.450 2.400 2.146 3.487 0.037 10 0 "[ . 1]" 1
271 1 34 LYS QB 1 35 LYS H . . 4.070 3.516 2.977 3.980 . 0 0 "[ . 1]" 1
272 1 34 LYS QD 1 35 LYS H . . 5.000 4.213 2.408 5.049 0.049 4 0 "[ . 1]" 1
273 1 34 LYS QG 1 35 LYS H . . 5.340 4.163 2.363 4.898 . 0 0 "[ . 1]" 1
274 1 35 LYS H 1 35 LYS QB . . 3.450 2.345 2.040 2.984 . 0 0 "[ . 1]" 1
275 1 35 LYS H 1 35 LYS QD . . 4.900 4.123 2.953 4.822 . 0 0 "[ . 1]" 1
276 1 35 LYS H 1 35 LYS HG2 . . 5.230 4.125 2.114 4.662 . 0 0 "[ . 1]" 1
277 1 35 LYS H 1 35 LYS QG . . 4.400 3.469 2.012 4.060 . 0 0 "[ . 1]" 1
278 1 35 LYS H 1 35 LYS HG3 . . 5.230 3.857 2.255 4.551 . 0 0 "[ . 1]" 1
279 1 35 LYS H 1 36 LEU QB . . 5.500 4.695 4.007 5.788 0.288 10 0 "[ . 1]" 1
280 1 35 LYS QG 1 36 LEU H . . 4.720 3.585 2.484 4.545 . 0 0 "[ . 1]" 1
281 1 35 LYS HG2 1 36 LEU H . . 5.500 4.147 2.522 5.487 . 0 0 "[ . 1]" 1
282 1 35 LYS HG3 1 36 LEU H . . 5.500 4.232 2.624 5.177 . 0 0 "[ . 1]" 1
283 1 36 LEU H 1 36 LEU QB . . 3.040 2.444 2.209 2.794 . 0 0 "[ . 1]" 1
284 1 36 LEU H 1 36 LEU QD . . 5.200 3.156 2.122 3.955 . 0 0 "[ . 1]" 1
285 1 36 LEU H 1 36 LEU HG . . 4.900 3.568 1.955 4.709 . 0 0 "[ . 1]" 1
286 1 36 LEU H 1 37 ILE H . . 3.490 2.547 2.210 3.148 . 0 0 "[ . 1]" 1
287 1 36 LEU QB 1 37 ILE H . . 3.760 2.784 1.951 3.655 . 0 0 "[ . 1]" 1
288 1 36 LEU HG 1 37 ILE H . . 4.500 3.307 1.967 4.498 . 0 0 "[ . 1]" 1
289 1 37 ILE H 1 37 ILE HB . . 3.800 3.080 2.586 3.780 . 0 0 "[ . 1]" 1
290 1 37 ILE H 1 37 ILE MD . . 3.870 3.404 2.909 3.802 . 0 0 "[ . 1]" 1
291 1 37 ILE H 1 37 ILE QG . . 3.390 2.157 1.917 2.872 . 0 0 "[ . 1]" 1
292 1 37 ILE H 1 37 ILE MG . . 3.940 3.351 2.186 3.885 . 0 0 "[ . 1]" 1
293 1 37 ILE HA 1 38 MET H . . 3.030 2.362 2.153 2.927 . 0 0 "[ . 1]" 1
294 1 37 ILE HA 1 39 TYR H . . 4.700 4.093 3.039 4.673 . 0 0 "[ . 1]" 1
295 1 37 ILE HB 1 38 MET H . . 4.120 3.367 1.950 4.118 . 0 0 "[ . 1]" 1
296 1 37 ILE MD 1 39 TYR H . . 4.670 4.013 2.537 4.779 0.109 2 0 "[ . 1]" 1
297 1 37 ILE QG 1 38 MET H . . 4.740 4.220 3.142 4.696 . 0 0 "[ . 1]" 1
298 1 37 ILE MG 1 38 MET H . . 4.310 3.120 2.423 4.214 . 0 0 "[ . 1]" 1
299 1 38 MET H 1 38 MET HB2 . . 3.830 2.649 2.197 3.709 . 0 0 "[ . 1]" 1
300 1 38 MET H 1 38 MET QB . . 3.210 2.401 2.176 2.764 . 0 0 "[ . 1]" 1
301 1 38 MET H 1 38 MET HB3 . . 3.830 3.259 2.663 3.667 . 0 0 "[ . 1]" 1
302 1 38 MET H 1 38 MET HG2 . . 4.770 3.421 2.032 4.529 . 0 0 "[ . 1]" 1
303 1 38 MET H 1 38 MET QG . . 4.040 2.802 2.022 4.005 . 0 0 "[ . 1]" 1
304 1 38 MET H 1 38 MET HG3 . . 4.770 3.293 2.215 4.463 . 0 0 "[ . 1]" 1
305 1 38 MET H 1 39 TYR H . . 3.650 2.369 2.110 2.626 . 0 0 "[ . 1]" 1
306 1 38 MET HB2 1 39 TYR H . . 3.930 3.158 2.361 3.871 . 0 0 "[ . 1]" 1
307 1 38 MET HB2 1 39 TYR QD . . 4.770 3.826 2.626 4.763 . 0 0 "[ . 1]" 1
308 1 38 MET HB3 1 39 TYR H . . 3.930 3.455 2.277 3.934 0.004 1 0 "[ . 1]" 1
309 1 38 MET HB3 1 39 TYR QD . . 4.770 4.144 3.263 4.767 . 0 0 "[ . 1]" 1
310 1 38 MET QG 1 39 TYR H . . 4.550 3.717 1.933 4.464 . 0 0 "[ . 1]" 1
311 1 38 MET HG2 1 39 TYR H . . 5.310 4.216 1.958 5.063 . 0 0 "[ . 1]" 1
312 1 38 MET HG3 1 39 TYR H . . 5.310 4.301 2.461 5.311 0.001 2 0 "[ . 1]" 1
313 1 39 TYR H 1 39 TYR HB2 . . 3.720 2.298 2.174 2.561 . 0 0 "[ . 1]" 1
314 1 39 TYR H 1 39 TYR QB . . 3.040 2.270 2.154 2.511 . 0 0 "[ . 1]" 1
315 1 39 TYR H 1 39 TYR HB3 . . 3.720 3.553 3.498 3.629 . 0 0 "[ . 1]" 1
316 1 39 TYR H 1 39 TYR QD . . 3.990 2.390 2.005 2.960 . 0 0 "[ . 1]" 1
317 1 39 TYR HA 1 39 TYR QD . . 3.510 2.883 2.522 3.078 . 0 0 "[ . 1]" 1
318 1 39 TYR HA 1 39 TYR QE . . 4.840 4.533 4.370 4.676 . 0 0 "[ . 1]" 1
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