NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588305 |
2mg3   |
19583 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mg3
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 291
_Distance_constraint_stats_list.Viol_count 788
_Distance_constraint_stats_list.Viol_total 568.177
_Distance_constraint_stats_list.Viol_max 0.148
_Distance_constraint_stats_list.Viol_rms 0.0160
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0361
_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 LYS 0.158 0.064 12 0 "[ . 1 . 2]"
1 2 LYS 0.006 0.006 8 0 "[ . 1 . 2]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 TRP 0.149 0.043 1 0 "[ . 1 . 2]"
1 6 PHE 1.298 0.066 9 0 "[ . 1 . 2]"
1 7 ASP 0.311 0.071 10 0 "[ . 1 . 2]"
1 8 ILE 1.905 0.083 17 0 "[ . 1 . 2]"
1 9 THR 0.898 0.129 7 0 "[ . 1 . 2]"
1 10 ASN 0.078 0.015 9 0 "[ . 1 . 2]"
1 11 TRP 2.709 0.083 17 0 "[ . 1 . 2]"
1 12 LEU 2.012 0.129 7 0 "[ . 1 . 2]"
1 13 TRP 4.380 0.123 17 0 "[ . 1 . 2]"
1 14 TYR 2.045 0.057 17 0 "[ . 1 . 2]"
1 15 ILE 4.464 0.123 17 0 "[ . 1 . 2]"
1 16 LYS 1.758 0.148 7 0 "[ . 1 . 2]"
1 17 LEU 3.612 0.085 9 0 "[ . 1 . 2]"
1 18 PHE 5.169 0.099 5 0 "[ . 1 . 2]"
1 19 ILE 4.422 0.093 7 0 "[ . 1 . 2]"
1 20 MET 0.466 0.035 20 0 "[ . 1 . 2]"
1 21 ILE 0.871 0.046 11 0 "[ . 1 . 2]"
1 22 VAL 7.733 0.099 5 0 "[ . 1 . 2]"
1 23 GLY 1.544 0.054 12 0 "[ . 1 . 2]"
1 24 GLY 0.866 0.054 12 0 "[ . 1 . 2]"
1 25 LEU 1.580 0.068 10 0 "[ . 1 . 2]"
1 26 VAL 1.350 0.050 17 0 "[ . 1 . 2]"
1 27 LYS 1.018 0.111 16 0 "[ . 1 . 2]"
1 28 LYS 0.654 0.109 4 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 LYS HA 1 1 LYS QG . . 3.320 2.514 2.076 3.384 0.064 12 0 "[ . 1 . 2]" 1
2 1 2 LYS HA 1 2 LYS QE . . 5.500 4.067 3.611 4.469 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS QD 1 5 TRP HD1 . . 5.240 4.548 3.599 5.130 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS QD 1 5 TRP HE3 . . 5.460 4.713 4.127 5.466 0.006 8 0 "[ . 1 . 2]" 1
5 1 3 LYS H 1 3 LYS QB . . 2.790 2.339 2.066 2.578 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS HA 1 3 LYS QD . . 4.660 3.494 2.090 4.574 . 0 0 "[ . 1 . 2]" 1
7 1 3 LYS HA 1 3 LYS QE . . 5.500 4.312 2.603 4.834 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS HA 1 3 LYS QG . . 3.710 2.543 2.148 3.373 . 0 0 "[ . 1 . 2]" 1
9 1 5 TRP H 1 5 TRP HD1 . . 5.500 5.186 4.974 5.440 . 0 0 "[ . 1 . 2]" 1
10 1 5 TRP HA 1 5 TRP HD1 . . 4.520 4.255 3.901 4.488 . 0 0 "[ . 1 . 2]" 1
11 1 5 TRP HA 1 5 TRP HZ3 . . 5.100 4.916 4.657 5.135 0.035 20 0 "[ . 1 . 2]" 1
12 1 5 TRP HB2 1 5 TRP HE3 . . 3.680 2.836 2.660 3.199 . 0 0 "[ . 1 . 2]" 1
13 1 5 TRP HB3 1 6 PHE QD . . 5.500 4.891 4.150 5.543 0.043 1 0 "[ . 1 . 2]" 1
14 1 6 PHE H 1 6 PHE QB . . 3.300 2.099 2.015 2.255 . 0 0 "[ . 1 . 2]" 1
15 1 6 PHE H 1 6 PHE QD . . 3.920 3.916 3.631 3.986 0.066 9 0 "[ . 1 . 2]" 1
16 1 6 PHE H 1 7 ASP H . . 4.940 2.806 2.702 2.981 . 0 0 "[ . 1 . 2]" 1
17 1 6 PHE HA 1 6 PHE QD . . 3.900 2.655 2.364 2.998 . 0 0 "[ . 1 . 2]" 1
18 1 6 PHE HA 1 6 PHE QE . . 5.100 4.369 4.216 4.420 . 0 0 "[ . 1 . 2]" 1
19 1 6 PHE HA 1 8 ILE MG . . 4.710 4.314 3.179 4.751 0.041 13 0 "[ . 1 . 2]" 1
20 1 6 PHE QD 1 7 ASP HA . . 5.300 5.126 4.914 5.332 0.032 10 0 "[ . 1 . 2]" 1
21 1 6 PHE QD 1 8 ILE HA . . 5.500 5.385 4.960 5.563 0.063 17 0 "[ . 1 . 2]" 1
22 1 6 PHE QD 1 8 ILE MG . . 3.770 3.252 2.813 3.799 0.029 9 0 "[ . 1 . 2]" 1
23 1 6 PHE QE 1 8 ILE MG . . 4.640 4.194 3.666 4.674 0.034 9 0 "[ . 1 . 2]" 1
24 1 7 ASP QB 1 8 ILE H . . 3.780 3.758 3.579 3.851 0.071 10 0 "[ . 1 . 2]" 1
25 1 8 ILE H 1 8 ILE HG13 . . 3.980 3.501 3.122 3.835 . 0 0 "[ . 1 . 2]" 1
26 1 8 ILE H 1 8 ILE MG . . 3.650 2.101 1.940 2.264 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE HA 1 8 ILE HB . . 2.630 2.396 2.309 2.449 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE HA 1 8 ILE HG12 . . 3.800 3.820 3.803 3.834 0.034 2 0 "[ . 1 . 2]" 1
29 1 8 ILE HA 1 8 ILE MG . . 3.590 2.293 2.213 2.438 . 0 0 "[ . 1 . 2]" 1
30 1 8 ILE HA 1 11 TRP H . . 5.100 3.140 2.798 3.583 . 0 0 "[ . 1 . 2]" 1
31 1 8 ILE HA 1 11 TRP HD1 . . 4.270 3.066 2.358 4.023 . 0 0 "[ . 1 . 2]" 1
32 1 8 ILE HA 1 11 TRP HE1 . . 5.480 3.781 2.875 4.436 . 0 0 "[ . 1 . 2]" 1
33 1 8 ILE HA 1 11 TRP HE3 . . 5.500 5.321 4.948 5.583 0.083 17 0 "[ . 1 . 2]" 1
34 1 8 ILE HB 1 9 THR H . . 5.000 4.144 4.060 4.279 . 0 0 "[ . 1 . 2]" 1
35 1 8 ILE HG13 1 12 LEU MD1 . . 5.500 3.754 2.418 4.650 . 0 0 "[ . 1 . 2]" 1
36 1 8 ILE HG13 1 12 LEU MD2 . . 4.190 3.936 3.496 4.211 0.021 16 0 "[ . 1 . 2]" 1
37 1 8 ILE MG 1 11 TRP HD1 . . 5.280 4.415 3.767 5.307 0.027 1 0 "[ . 1 . 2]" 1
38 1 8 ILE MG 1 11 TRP HE1 . . 5.250 4.064 3.432 4.628 . 0 0 "[ . 1 . 2]" 1
39 1 9 THR H 1 9 THR HB . . 3.560 3.157 2.380 3.604 0.044 9 0 "[ . 1 . 2]" 1
40 1 9 THR H 1 9 THR MG . . 3.410 2.464 2.024 3.359 . 0 0 "[ . 1 . 2]" 1
41 1 9 THR HA 1 9 THR MG . . 3.710 2.621 2.191 3.276 . 0 0 "[ . 1 . 2]" 1
42 1 9 THR HA 1 12 LEU HB3 . . 5.500 4.521 3.498 5.245 . 0 0 "[ . 1 . 2]" 1
43 1 9 THR HA 1 12 LEU MD1 . . 4.340 2.400 2.026 2.743 . 0 0 "[ . 1 . 2]" 1
44 1 9 THR HA 1 12 LEU MD2 . . 4.310 3.963 3.557 4.281 . 0 0 "[ . 1 . 2]" 1
45 1 9 THR HA 1 12 LEU HG . . 2.870 2.697 2.384 2.999 0.129 7 0 "[ . 1 . 2]" 1
46 1 10 ASN H 1 10 ASN QB . . 3.230 2.243 2.137 2.364 . 0 0 "[ . 1 . 2]" 1
47 1 10 ASN HA 1 11 TRP HD1 . . 5.500 5.476 5.320 5.515 0.015 9 0 "[ . 1 . 2]" 1
48 1 10 ASN QB 1 10 ASN QD . . 3.050 2.297 2.148 2.517 . 0 0 "[ . 1 . 2]" 1
49 1 10 ASN QB 1 11 TRP H . . 4.090 2.778 2.426 3.086 . 0 0 "[ . 1 . 2]" 1
50 1 10 ASN QB 1 11 TRP HD1 . . 3.970 3.243 2.830 3.614 . 0 0 "[ . 1 . 2]" 1
51 1 11 TRP H 1 11 TRP HD1 . . 4.140 2.511 2.287 2.801 . 0 0 "[ . 1 . 2]" 1
52 1 11 TRP H 1 11 TRP HE3 . . 5.500 5.158 4.555 5.566 0.066 16 0 "[ . 1 . 2]" 1
53 1 11 TRP H 1 12 LEU H . . 3.670 2.644 2.475 2.807 . 0 0 "[ . 1 . 2]" 1
54 1 11 TRP H 1 14 TYR QD . . 5.500 4.816 4.704 4.955 . 0 0 "[ . 1 . 2]" 1
55 1 11 TRP HA 1 11 TRP HD1 . . 4.450 3.895 3.596 4.314 . 0 0 "[ . 1 . 2]" 1
56 1 11 TRP HA 1 11 TRP HE3 . . 4.430 4.033 3.717 4.449 0.019 8 0 "[ . 1 . 2]" 1
57 1 11 TRP HA 1 14 TYR QD . . 3.960 2.130 2.054 2.245 . 0 0 "[ . 1 . 2]" 1
58 1 11 TRP HA 1 14 TYR QE . . 3.830 3.007 2.461 3.537 . 0 0 "[ . 1 . 2]" 1
59 1 11 TRP HA 1 15 ILE MD . . 5.500 5.444 5.308 5.552 0.052 5 0 "[ . 1 . 2]" 1
60 1 11 TRP QB 1 11 TRP HE3 . . 3.620 2.492 2.337 2.708 . 0 0 "[ . 1 . 2]" 1
61 1 11 TRP QB 1 12 LEU H . . 4.260 3.298 2.840 3.939 . 0 0 "[ . 1 . 2]" 1
62 1 11 TRP QB 1 14 TYR QD . . 5.010 3.290 2.339 3.952 . 0 0 "[ . 1 . 2]" 1
63 1 11 TRP HD1 1 14 TYR QE . . 5.500 5.355 5.103 5.554 0.054 8 0 "[ . 1 . 2]" 1
64 1 11 TRP HE3 1 14 TYR QD . . 4.370 4.369 4.255 4.427 0.057 17 0 "[ . 1 . 2]" 1
65 1 11 TRP HE3 1 15 ILE MD . . 3.890 3.152 2.339 3.702 . 0 0 "[ . 1 . 2]" 1
66 1 11 TRP HE3 1 15 ILE HG12 . . 5.260 3.473 2.343 4.274 . 0 0 "[ . 1 . 2]" 1
67 1 11 TRP HE3 1 15 ILE HG13 . . 5.040 4.088 2.793 5.033 . 0 0 "[ . 1 . 2]" 1
68 1 11 TRP HZ3 1 15 ILE MD . . 4.700 3.809 2.391 4.749 0.049 14 0 "[ . 1 . 2]" 1
69 1 12 LEU H 1 12 LEU HB2 . . 2.700 2.495 2.139 2.726 0.026 12 0 "[ . 1 . 2]" 1
70 1 12 LEU H 1 12 LEU MD2 . . 5.500 3.339 2.797 4.063 . 0 0 "[ . 1 . 2]" 1
71 1 12 LEU H 1 12 LEU HG . . 3.750 2.545 2.045 3.253 . 0 0 "[ . 1 . 2]" 1
72 1 12 LEU H 1 13 TRP H . . 2.810 2.854 2.837 2.874 0.064 6 0 "[ . 1 . 2]" 1
73 1 12 LEU HA 1 12 LEU HB3 . . 3.000 2.577 2.410 2.829 . 0 0 "[ . 1 . 2]" 1
74 1 12 LEU HA 1 12 LEU MD2 . . 3.170 2.181 2.057 2.286 . 0 0 "[ . 1 . 2]" 1
75 1 12 LEU HA 1 12 LEU HG . . 3.360 3.135 2.753 3.387 0.027 18 0 "[ . 1 . 2]" 1
76 1 12 LEU HB3 1 12 LEU MD1 . . 3.410 2.332 2.261 2.389 . 0 0 "[ . 1 . 2]" 1
77 1 12 LEU HB3 1 12 LEU MD2 . . 3.370 2.472 2.398 2.533 . 0 0 "[ . 1 . 2]" 1
78 1 13 TRP H 1 14 TYR QD . . 4.120 4.144 4.123 4.165 0.045 1 0 "[ . 1 . 2]" 1
79 1 13 TRP HA 1 13 TRP HD1 . . 3.690 2.919 2.804 3.018 . 0 0 "[ . 1 . 2]" 1
80 1 13 TRP HB2 1 13 TRP HD1 . . 3.650 2.734 2.697 2.780 . 0 0 "[ . 1 . 2]" 1
81 1 13 TRP HB2 1 14 TYR H . . 3.830 3.781 3.726 3.843 0.013 1 0 "[ . 1 . 2]" 1
82 1 13 TRP HB2 1 14 TYR QE . . 5.500 5.514 5.498 5.541 0.041 5 0 "[ . 1 . 2]" 1
83 1 13 TRP HB2 1 15 ILE H . . 5.500 5.594 5.563 5.623 0.123 17 0 "[ . 1 . 2]" 1
84 1 13 TRP HB3 1 13 TRP HE3 . . 4.170 2.580 2.539 2.613 . 0 0 "[ . 1 . 2]" 1
85 1 13 TRP HB3 1 14 TYR QD . . 4.540 3.843 3.684 4.041 . 0 0 "[ . 1 . 2]" 1
86 1 13 TRP HB3 1 15 ILE H . . 4.920 4.812 4.774 4.849 . 0 0 "[ . 1 . 2]" 1
87 1 13 TRP HD1 1 16 LYS QB . . 4.980 4.640 4.250 4.924 . 0 0 "[ . 1 . 2]" 1
88 1 13 TRP HD1 1 16 LYS QD . . 5.350 5.055 4.404 5.373 0.023 13 0 "[ . 1 . 2]" 1
89 1 13 TRP HE3 1 14 TYR H . . 4.860 3.137 2.999 3.295 . 0 0 "[ . 1 . 2]" 1
90 1 13 TRP HE3 1 14 TYR HA . . 3.940 3.197 3.027 3.395 . 0 0 "[ . 1 . 2]" 1
91 1 13 TRP HE3 1 14 TYR QD . . 3.960 3.081 3.016 3.151 . 0 0 "[ . 1 . 2]" 1
92 1 13 TRP HE3 1 14 TYR QE . . 4.560 3.291 3.135 3.398 . 0 0 "[ . 1 . 2]" 1
93 1 13 TRP HE3 1 17 LEU MD1 . . 4.880 4.299 4.213 4.378 . 0 0 "[ . 1 . 2]" 1
94 1 13 TRP HE3 1 17 LEU MD2 . . 4.850 4.586 4.442 4.698 . 0 0 "[ . 1 . 2]" 1
95 1 13 TRP HH2 1 14 TYR QD . . 5.420 5.193 5.156 5.270 . 0 0 "[ . 1 . 2]" 1
96 1 13 TRP HH2 1 17 LEU MD1 . . 4.270 2.568 2.355 2.693 . 0 0 "[ . 1 . 2]" 1
97 1 13 TRP HH2 1 17 LEU MD2 . . 3.930 3.966 3.945 3.993 0.063 1 0 "[ . 1 . 2]" 1
98 1 13 TRP HZ2 1 17 LEU MD1 . . 4.360 2.946 2.832 3.020 . 0 0 "[ . 1 . 2]" 1
99 1 13 TRP HZ2 1 17 LEU MD2 . . 5.090 5.089 5.079 5.097 0.007 12 0 "[ . 1 . 2]" 1
100 1 13 TRP HZ3 1 14 TYR HA . . 4.540 4.149 4.010 4.299 . 0 0 "[ . 1 . 2]" 1
101 1 13 TRP HZ3 1 14 TYR QD . . 4.400 2.954 2.882 3.034 . 0 0 "[ . 1 . 2]" 1
102 1 13 TRP HZ3 1 14 TYR QE . . 4.940 2.705 2.577 2.843 . 0 0 "[ . 1 . 2]" 1
103 1 13 TRP HZ3 1 17 LEU MD1 . . 4.710 3.343 3.228 3.403 . 0 0 "[ . 1 . 2]" 1
104 1 13 TRP HZ3 1 17 LEU MD2 . . 3.950 3.624 3.522 3.723 . 0 0 "[ . 1 . 2]" 1
105 1 14 TYR H 1 14 TYR HB3 . . 4.070 3.621 3.608 3.631 . 0 0 "[ . 1 . 2]" 1
106 1 14 TYR H 1 14 TYR QD . . 3.980 2.456 2.364 2.550 . 0 0 "[ . 1 . 2]" 1
107 1 14 TYR H 1 14 TYR QE . . 4.350 4.080 4.036 4.128 . 0 0 "[ . 1 . 2]" 1
108 1 14 TYR H 1 15 ILE H . . 4.310 2.657 2.628 2.687 . 0 0 "[ . 1 . 2]" 1
109 1 14 TYR HA 1 14 TYR QD . . 3.910 2.780 2.723 2.833 . 0 0 "[ . 1 . 2]" 1
110 1 14 TYR HA 1 14 TYR QE . . 4.730 4.710 4.608 4.735 0.005 6 0 "[ . 1 . 2]" 1
111 1 14 TYR HA 1 17 LEU HB3 . . 2.750 2.373 2.341 2.408 . 0 0 "[ . 1 . 2]" 1
112 1 14 TYR HA 1 17 LEU MD1 . . 4.270 4.179 4.117 4.221 . 0 0 "[ . 1 . 2]" 1
113 1 14 TYR HA 1 17 LEU MD2 . . 4.290 3.247 3.193 3.301 . 0 0 "[ . 1 . 2]" 1
114 1 14 TYR HB2 1 15 ILE H . . 3.040 2.816 2.704 2.896 . 0 0 "[ . 1 . 2]" 1
115 1 14 TYR HB3 1 15 ILE H . . 5.500 3.911 3.769 4.011 . 0 0 "[ . 1 . 2]" 1
116 1 14 TYR QD 1 15 ILE H . . 4.000 4.011 3.992 4.034 0.034 17 0 "[ . 1 . 2]" 1
117 1 14 TYR QD 1 17 LEU HB2 . . 5.500 5.453 5.375 5.510 0.010 15 0 "[ . 1 . 2]" 1
118 1 14 TYR QD 1 17 LEU MD1 . . 4.730 4.680 4.545 4.750 0.020 10 0 "[ . 1 . 2]" 1
119 1 14 TYR QD 1 17 LEU MD2 . . 4.220 3.578 3.519 3.629 . 0 0 "[ . 1 . 2]" 1
120 1 14 TYR QE 1 17 LEU MD1 . . 5.500 5.494 5.396 5.518 0.018 18 0 "[ . 1 . 2]" 1
121 1 14 TYR QE 1 17 LEU MD2 . . 5.260 5.053 4.846 5.169 . 0 0 "[ . 1 . 2]" 1
122 1 15 ILE H 1 15 ILE HG12 . . 2.600 2.252 2.207 2.296 . 0 0 "[ . 1 . 2]" 1
123 1 15 ILE H 1 16 LYS H . . 4.090 2.703 2.665 2.744 . 0 0 "[ . 1 . 2]" 1
124 1 15 ILE HA 1 15 ILE MD . . 2.630 2.213 2.177 2.245 . 0 0 "[ . 1 . 2]" 1
125 1 15 ILE HA 1 15 ILE HG13 . . 4.150 3.802 3.789 3.812 . 0 0 "[ . 1 . 2]" 1
126 1 15 ILE HA 1 15 ILE MG . . 3.140 2.332 2.272 2.359 . 0 0 "[ . 1 . 2]" 1
127 1 15 ILE HA 1 18 PHE H . . 5.050 3.390 3.341 3.456 . 0 0 "[ . 1 . 2]" 1
128 1 15 ILE HA 1 18 PHE HB2 . . 3.350 3.258 3.145 3.319 . 0 0 "[ . 1 . 2]" 1
129 1 15 ILE HA 1 18 PHE HB3 . . 3.290 3.016 2.966 3.075 . 0 0 "[ . 1 . 2]" 1
130 1 15 ILE HA 1 18 PHE QD . . 4.210 4.131 4.081 4.228 0.018 10 0 "[ . 1 . 2]" 1
131 1 15 ILE HB 1 15 ILE MD . . 3.350 3.297 3.287 3.305 . 0 0 "[ . 1 . 2]" 1
132 1 15 ILE HB 1 16 LYS H . . 3.940 2.594 2.555 2.653 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE HG12 1 16 LYS H . . 4.220 4.227 4.101 4.301 0.081 13 0 "[ . 1 . 2]" 1
134 1 15 ILE MG 1 16 LYS H . . 3.920 3.455 3.375 3.562 . 0 0 "[ . 1 . 2]" 1
135 1 15 ILE MG 1 18 PHE HB3 . . 3.680 3.733 3.698 3.753 0.073 12 0 "[ . 1 . 2]" 1
136 1 15 ILE MG 1 18 PHE QD . . 3.950 3.736 3.687 3.829 . 0 0 "[ . 1 . 2]" 1
137 1 15 ILE MG 1 19 ILE H . . 5.500 5.035 4.929 5.131 . 0 0 "[ . 1 . 2]" 1
138 1 16 LYS H 1 16 LYS QB . . 2.600 2.238 2.158 2.350 . 0 0 "[ . 1 . 2]" 1
139 1 16 LYS H 1 16 LYS QD . . 5.500 3.776 2.598 4.749 . 0 0 "[ . 1 . 2]" 1
140 1 16 LYS H 1 16 LYS QG . . 4.480 3.532 2.743 4.080 . 0 0 "[ . 1 . 2]" 1
141 1 16 LYS H 1 17 LEU H . . 3.900 2.757 2.728 2.789 . 0 0 "[ . 1 . 2]" 1
142 1 16 LYS HA 1 16 LYS QD . . 3.740 3.676 3.257 3.888 0.148 7 0 "[ . 1 . 2]" 1
143 1 16 LYS HA 1 16 LYS QG . . 2.550 2.213 2.058 2.438 . 0 0 "[ . 1 . 2]" 1
144 1 16 LYS HA 1 19 ILE H . . 5.500 3.830 3.695 3.927 . 0 0 "[ . 1 . 2]" 1
145 1 16 LYS HA 1 19 ILE HB . . 4.240 4.019 3.939 4.175 . 0 0 "[ . 1 . 2]" 1
146 1 16 LYS HA 1 19 ILE MD . . 3.590 2.428 2.308 2.518 . 0 0 "[ . 1 . 2]" 1
147 1 16 LYS HA 1 19 ILE MG . . 5.410 5.283 5.221 5.412 0.002 16 0 "[ . 1 . 2]" 1
148 1 16 LYS QB 1 16 LYS QE . . 3.740 3.449 2.173 3.792 0.052 17 0 "[ . 1 . 2]" 1
149 1 16 LYS QB 1 17 LEU H . . 4.530 2.658 2.553 2.838 . 0 0 "[ . 1 . 2]" 1
150 1 16 LYS QD 1 17 LEU H . . 4.970 4.404 3.113 4.903 . 0 0 "[ . 1 . 2]" 1
151 1 17 LEU H 1 17 LEU HB2 . . 4.160 2.531 2.482 2.600 . 0 0 "[ . 1 . 2]" 1
152 1 17 LEU H 1 17 LEU MD1 . . 4.700 4.287 4.242 4.364 . 0 0 "[ . 1 . 2]" 1
153 1 17 LEU H 1 17 LEU MD2 . . 4.710 4.224 4.196 4.245 . 0 0 "[ . 1 . 2]" 1
154 1 17 LEU H 1 17 LEU HG . . 4.710 4.458 4.441 4.476 . 0 0 "[ . 1 . 2]" 1
155 1 17 LEU H 1 18 PHE H . . 4.460 2.859 2.815 2.880 . 0 0 "[ . 1 . 2]" 1
156 1 17 LEU HA 1 17 LEU HB2 . . 2.600 2.430 2.420 2.442 . 0 0 "[ . 1 . 2]" 1
157 1 17 LEU HA 1 17 LEU MD1 . . 3.490 3.219 3.183 3.272 . 0 0 "[ . 1 . 2]" 1
158 1 17 LEU HA 1 17 LEU MD2 . . 3.740 3.631 3.621 3.646 . 0 0 "[ . 1 . 2]" 1
159 1 17 LEU HA 1 17 LEU HG . . 2.760 2.431 2.410 2.458 . 0 0 "[ . 1 . 2]" 1
160 1 17 LEU HA 1 20 MET HB2 . . 3.800 2.350 2.264 2.566 . 0 0 "[ . 1 . 2]" 1
161 1 17 LEU HA 1 20 MET HB3 . . 4.560 3.905 3.831 4.044 . 0 0 "[ . 1 . 2]" 1
162 1 17 LEU HA 1 20 MET ME . . 5.500 4.236 2.547 4.396 . 0 0 "[ . 1 . 2]" 1
163 1 17 LEU HA 1 20 MET HG2 . . 4.500 3.088 2.792 4.132 . 0 0 "[ . 1 . 2]" 1
164 1 17 LEU HA 1 20 MET QG . . 3.720 2.434 2.304 2.716 . 0 0 "[ . 1 . 2]" 1
165 1 17 LEU HA 1 20 MET HG3 . . 4.500 2.564 2.347 2.754 . 0 0 "[ . 1 . 2]" 1
166 1 17 LEU HB2 1 17 LEU MD2 . . 3.570 3.084 3.076 3.095 . 0 0 "[ . 1 . 2]" 1
167 1 17 LEU HB2 1 18 PHE H . . 5.500 4.166 4.127 4.207 . 0 0 "[ . 1 . 2]" 1
168 1 17 LEU HB2 1 21 ILE MG . . 5.500 5.533 5.512 5.546 0.046 11 0 "[ . 1 . 2]" 1
169 1 17 LEU HB3 1 17 LEU MD1 . . 3.500 2.871 2.859 2.885 . 0 0 "[ . 1 . 2]" 1
170 1 17 LEU HB3 1 17 LEU MD2 . . 3.220 2.226 2.221 2.230 . 0 0 "[ . 1 . 2]" 1
171 1 17 LEU HB3 1 18 PHE H . . 5.500 2.992 2.946 3.034 . 0 0 "[ . 1 . 2]" 1
172 1 17 LEU MD1 1 18 PHE H . . 5.110 5.097 5.070 5.119 0.009 4 0 "[ . 1 . 2]" 1
173 1 17 LEU MD1 1 20 MET HB2 . . 4.580 3.575 3.514 3.645 . 0 0 "[ . 1 . 2]" 1
174 1 17 LEU MD1 1 20 MET HB3 . . 4.810 4.304 4.209 4.444 . 0 0 "[ . 1 . 2]" 1
175 1 17 LEU MD1 1 20 MET ME . . 4.150 4.145 3.763 4.185 0.035 20 0 "[ . 1 . 2]" 1
176 1 17 LEU MD1 1 20 MET HG2 . . 5.500 5.209 5.054 5.493 . 0 0 "[ . 1 . 2]" 1
177 1 17 LEU MD1 1 20 MET QG . . 4.800 3.951 3.781 4.645 . 0 0 "[ . 1 . 2]" 1
178 1 17 LEU MD1 1 20 MET HG3 . . 5.500 4.099 3.904 5.011 . 0 0 "[ . 1 . 2]" 1
179 1 17 LEU MD1 1 21 ILE MD . . 5.270 4.495 4.278 4.762 . 0 0 "[ . 1 . 2]" 1
180 1 17 LEU MD1 1 21 ILE MG . . 4.830 4.527 4.446 4.582 . 0 0 "[ . 1 . 2]" 1
181 1 17 LEU MD2 1 20 MET HB2 . . 4.960 4.042 3.995 4.090 . 0 0 "[ . 1 . 2]" 1
182 1 17 LEU MD2 1 20 MET HB3 . . 5.500 5.207 5.152 5.339 . 0 0 "[ . 1 . 2]" 1
183 1 17 LEU MD2 1 21 ILE HB . . 5.500 2.682 2.611 2.780 . 0 0 "[ . 1 . 2]" 1
184 1 17 LEU HG 1 18 PHE H . . 4.360 4.434 4.415 4.445 0.085 9 0 "[ . 1 . 2]" 1
185 1 17 LEU HG 1 21 ILE MG . . 3.720 3.693 3.631 3.727 0.007 16 0 "[ . 1 . 2]" 1
186 1 18 PHE H 1 18 PHE HB2 . . 3.900 2.600 2.571 2.615 . 0 0 "[ . 1 . 2]" 1
187 1 18 PHE H 1 18 PHE HB3 . . 3.820 2.526 2.500 2.555 . 0 0 "[ . 1 . 2]" 1
188 1 18 PHE H 1 18 PHE QD . . 4.230 4.268 4.258 4.275 0.045 11 0 "[ . 1 . 2]" 1
189 1 18 PHE H 1 20 MET H . . 4.210 4.190 4.166 4.205 . 0 0 "[ . 1 . 2]" 1
190 1 18 PHE HA 1 18 PHE QD . . 3.720 2.285 2.257 2.302 . 0 0 "[ . 1 . 2]" 1
191 1 18 PHE HA 1 18 PHE QE . . 4.850 4.583 4.549 4.599 . 0 0 "[ . 1 . 2]" 1
192 1 18 PHE HA 1 21 ILE MG . . 3.860 2.105 2.060 2.127 . 0 0 "[ . 1 . 2]" 1
193 1 18 PHE HA 1 22 VAL MG1 . . 4.630 3.768 3.751 3.789 . 0 0 "[ . 1 . 2]" 1
194 1 18 PHE HB2 1 19 ILE H . . 4.140 4.116 4.050 4.150 0.010 19 0 "[ . 1 . 2]" 1
195 1 18 PHE HB2 1 21 ILE MG . . 4.610 4.044 3.973 4.100 . 0 0 "[ . 1 . 2]" 1
196 1 18 PHE HB3 1 19 ILE H . . 5.500 2.851 2.746 2.912 . 0 0 "[ . 1 . 2]" 1
197 1 18 PHE QD 1 19 ILE H . . 4.130 4.085 3.943 4.147 0.017 1 0 "[ . 1 . 2]" 1
198 1 18 PHE QD 1 21 ILE MG . . 2.740 2.722 2.632 2.768 0.028 12 0 "[ . 1 . 2]" 1
199 1 18 PHE QD 1 22 VAL HB . . 5.500 5.578 5.561 5.599 0.099 5 0 "[ . 1 . 2]" 1
200 1 18 PHE QD 1 22 VAL MG1 . . 4.030 2.697 2.666 2.730 . 0 0 "[ . 1 . 2]" 1
201 1 18 PHE QD 1 22 VAL MG2 . . 4.000 4.005 3.985 4.016 0.016 10 0 "[ . 1 . 2]" 1
202 1 18 PHE QE 1 22 VAL MG1 . . 3.890 2.437 2.392 2.506 . 0 0 "[ . 1 . 2]" 1
203 1 18 PHE HZ 1 22 VAL MG1 . . 4.190 3.467 3.179 3.568 . 0 0 "[ . 1 . 2]" 1
204 1 19 ILE H 1 19 ILE HB . . 3.870 2.500 2.485 2.521 . 0 0 "[ . 1 . 2]" 1
205 1 19 ILE H 1 19 ILE MD . . 2.600 1.980 1.924 2.019 . 0 0 "[ . 1 . 2]" 1
206 1 19 ILE H 1 19 ILE HG13 . . 4.310 3.366 3.300 3.418 . 0 0 "[ . 1 . 2]" 1
207 1 19 ILE H 1 20 MET H . . 4.050 2.608 2.571 2.678 . 0 0 "[ . 1 . 2]" 1
208 1 19 ILE HA 1 19 ILE MD . . 3.310 3.278 3.238 3.318 0.008 16 0 "[ . 1 . 2]" 1
209 1 19 ILE HA 1 19 ILE HG13 . . 3.540 2.493 2.448 2.514 . 0 0 "[ . 1 . 2]" 1
210 1 19 ILE HA 1 19 ILE MG . . 3.590 2.378 2.370 2.388 . 0 0 "[ . 1 . 2]" 1
211 1 19 ILE HA 1 22 VAL HB . . 4.930 4.786 4.765 4.799 . 0 0 "[ . 1 . 2]" 1
212 1 19 ILE HA 1 22 VAL MG1 . . 3.720 3.800 3.788 3.808 0.088 5 0 "[ . 1 . 2]" 1
213 1 19 ILE HA 1 22 VAL MG2 . . 3.310 2.016 1.981 2.031 . 0 0 "[ . 1 . 2]" 1
214 1 19 ILE HA 1 23 GLY H . . 4.240 4.036 3.998 4.080 . 0 0 "[ . 1 . 2]" 1
215 1 19 ILE HB 1 20 MET H . . 5.390 2.945 2.880 3.012 . 0 0 "[ . 1 . 2]" 1
216 1 19 ILE HB 1 22 VAL MG2 . . 4.330 4.416 4.406 4.423 0.093 7 0 "[ . 1 . 2]" 1
217 1 19 ILE MG 1 20 MET H . . 3.780 3.623 3.561 3.668 . 0 0 "[ . 1 . 2]" 1
218 1 19 ILE MG 1 22 VAL MG1 . . 4.990 5.040 5.035 5.045 0.055 5 0 "[ . 1 . 2]" 1
219 1 19 ILE MG 1 23 GLY H . . 5.500 4.106 4.069 4.135 . 0 0 "[ . 1 . 2]" 1
220 1 20 MET H 1 20 MET HB2 . . 4.010 2.490 2.447 2.622 . 0 0 "[ . 1 . 2]" 1
221 1 20 MET H 1 20 MET QG . . 3.740 2.299 2.135 2.366 . 0 0 "[ . 1 . 2]" 1
222 1 20 MET HA 1 20 MET ME . . 5.500 3.867 3.632 4.755 . 0 0 "[ . 1 . 2]" 1
223 1 20 MET HA 1 20 MET HG2 . . 4.110 2.841 2.581 2.945 . 0 0 "[ . 1 . 2]" 1
224 1 20 MET HA 1 20 MET QG . . 3.550 2.756 2.463 2.854 . 0 0 "[ . 1 . 2]" 1
225 1 20 MET HA 1 20 MET HG3 . . 4.110 3.728 3.020 3.828 . 0 0 "[ . 1 . 2]" 1
226 1 20 MET HB2 1 21 ILE H . . 4.350 2.550 2.508 2.615 . 0 0 "[ . 1 . 2]" 1
227 1 20 MET HB3 1 20 MET ME . . 4.240 2.412 2.232 4.144 . 0 0 "[ . 1 . 2]" 1
228 1 20 MET HB3 1 21 ILE H . . 4.560 3.565 3.509 3.696 . 0 0 "[ . 1 . 2]" 1
229 1 21 ILE H 1 21 ILE MG . . 3.720 2.062 2.023 2.103 . 0 0 "[ . 1 . 2]" 1
230 1 21 ILE HA 1 21 ILE HB . . 2.750 2.416 2.404 2.427 . 0 0 "[ . 1 . 2]" 1
231 1 21 ILE HA 1 21 ILE MD . . 3.750 3.656 2.199 3.767 0.017 19 0 "[ . 1 . 2]" 1
232 1 21 ILE HA 1 21 ILE QG . . 3.590 2.354 2.275 3.042 . 0 0 "[ . 1 . 2]" 1
233 1 21 ILE HA 1 21 ILE MG . . 3.360 3.262 3.257 3.270 . 0 0 "[ . 1 . 2]" 1
234 1 21 ILE MG 1 22 VAL H . . 3.530 2.267 2.210 2.354 . 0 0 "[ . 1 . 2]" 1
235 1 22 VAL H 1 22 VAL MG1 . . 3.500 2.308 2.284 2.339 . 0 0 "[ . 1 . 2]" 1
236 1 22 VAL H 1 22 VAL MG2 . . 3.740 2.077 2.056 2.119 . 0 0 "[ . 1 . 2]" 1
237 1 22 VAL H 1 23 GLY H . . 4.160 2.663 2.647 2.683 . 0 0 "[ . 1 . 2]" 1
238 1 22 VAL HA 1 22 VAL MG1 . . 3.240 2.363 2.346 2.374 . 0 0 "[ . 1 . 2]" 1
239 1 22 VAL HA 1 22 VAL MG2 . . 3.400 3.245 3.240 3.249 . 0 0 "[ . 1 . 2]" 1
240 1 22 VAL HA 1 25 LEU H . . 4.700 3.883 3.850 3.915 . 0 0 "[ . 1 . 2]" 1
241 1 22 VAL HA 1 25 LEU HB2 . . 3.510 3.441 3.380 3.486 . 0 0 "[ . 1 . 2]" 1
242 1 22 VAL HA 1 25 LEU HB3 . . 5.070 5.048 4.990 5.091 0.021 10 0 "[ . 1 . 2]" 1
243 1 22 VAL HA 1 25 LEU MD1 . . 3.390 3.119 3.047 3.174 . 0 0 "[ . 1 . 2]" 1
244 1 22 VAL HA 1 25 LEU HG . . 3.460 3.325 3.286 3.368 . 0 0 "[ . 1 . 2]" 1
245 1 22 VAL HB 1 23 GLY H . . 4.040 3.814 3.794 3.826 . 0 0 "[ . 1 . 2]" 1
246 1 22 VAL MG1 1 23 GLY H . . 4.230 4.024 4.017 4.034 . 0 0 "[ . 1 . 2]" 1
247 1 22 VAL MG1 1 25 LEU HB2 . . 4.560 2.803 2.750 2.843 . 0 0 "[ . 1 . 2]" 1
248 1 22 VAL MG1 1 25 LEU MD1 . . 4.110 3.085 3.062 3.114 . 0 0 "[ . 1 . 2]" 1
249 1 22 VAL MG1 1 25 LEU HG . . 4.090 4.149 4.140 4.158 0.068 10 0 "[ . 1 . 2]" 1
250 1 22 VAL MG1 1 26 VAL MG2 . . 4.360 4.363 4.327 4.377 0.017 4 0 "[ . 1 . 2]" 1
251 1 22 VAL MG2 1 23 GLY H . . 4.890 2.265 2.234 2.309 . 0 0 "[ . 1 . 2]" 1
252 1 22 VAL MG2 1 25 LEU MD1 . . 4.630 4.648 4.638 4.658 0.028 18 0 "[ . 1 . 2]" 1
253 1 22 VAL MG2 1 26 VAL HB . . 4.590 2.134 2.111 2.171 . 0 0 "[ . 1 . 2]" 1
254 1 22 VAL MG2 1 26 VAL MG1 . . 4.160 3.448 3.411 3.479 . 0 0 "[ . 1 . 2]" 1
255 1 22 VAL MG2 1 26 VAL MG2 . . 3.550 2.768 2.738 2.805 . 0 0 "[ . 1 . 2]" 1
256 1 23 GLY H 1 24 GLY H . . 4.180 4.223 4.214 4.234 0.054 12 0 "[ . 1 . 2]" 1
257 1 23 GLY HA2 1 26 VAL HB . . 4.390 4.350 4.315 4.395 0.005 7 0 "[ . 1 . 2]" 1
258 1 23 GLY HA2 1 26 VAL MG1 . . 5.500 4.646 4.567 4.719 . 0 0 "[ . 1 . 2]" 1
259 1 23 GLY HA2 1 26 VAL MG2 . . 5.290 5.324 5.315 5.332 0.042 18 0 "[ . 1 . 2]" 1
260 1 24 GLY H 1 25 LEU H . . 4.190 2.659 2.603 2.701 . 0 0 "[ . 1 . 2]" 1
261 1 25 LEU H 1 25 LEU HB2 . . 4.090 2.984 2.967 2.999 . 0 0 "[ . 1 . 2]" 1
262 1 25 LEU H 1 25 LEU MD2 . . 3.680 2.828 2.761 2.865 . 0 0 "[ . 1 . 2]" 1
263 1 25 LEU H 1 25 LEU HG . . 3.270 2.144 2.124 2.166 . 0 0 "[ . 1 . 2]" 1
264 1 25 LEU H 1 26 VAL H . . 4.470 2.756 2.732 2.800 . 0 0 "[ . 1 . 2]" 1
265 1 25 LEU HA 1 25 LEU HB3 . . 2.600 2.276 2.267 2.285 . 0 0 "[ . 1 . 2]" 1
266 1 25 LEU HA 1 25 LEU MD2 . . 3.020 2.490 2.465 2.528 . 0 0 "[ . 1 . 2]" 1
267 1 26 VAL H 1 26 VAL HB . . 3.910 2.400 2.361 2.468 . 0 0 "[ . 1 . 2]" 1
268 1 26 VAL H 1 26 VAL MG1 . . 3.120 2.304 2.247 2.332 . 0 0 "[ . 1 . 2]" 1
269 1 26 VAL H 1 26 VAL MG2 . . 3.930 3.756 3.742 3.773 . 0 0 "[ . 1 . 2]" 1
270 1 26 VAL H 1 27 LYS H . . 3.930 2.890 2.827 2.945 . 0 0 "[ . 1 . 2]" 1
271 1 26 VAL HA 1 26 VAL MG1 . . 3.560 3.280 3.276 3.288 . 0 0 "[ . 1 . 2]" 1
272 1 26 VAL HA 1 26 VAL MG2 . . 3.330 2.312 2.293 2.326 . 0 0 "[ . 1 . 2]" 1
273 1 26 VAL HB 1 27 LYS H . . 3.960 3.984 3.936 4.010 0.050 17 0 "[ . 1 . 2]" 1
274 1 26 VAL MG1 1 27 LYS H . . 3.940 2.355 2.275 2.432 . 0 0 "[ . 1 . 2]" 1
275 1 26 VAL MG2 1 27 LYS H . . 3.860 3.787 3.712 3.868 0.008 17 0 "[ . 1 . 2]" 1
276 1 27 LYS H 1 27 LYS QB . . 2.900 2.156 2.018 2.337 . 0 0 "[ . 1 . 2]" 1
277 1 27 LYS H 1 27 LYS QD . . 5.180 4.094 3.490 4.828 . 0 0 "[ . 1 . 2]" 1
278 1 27 LYS HA 1 27 LYS QD . . 4.090 4.021 3.937 4.145 0.055 12 0 "[ . 1 . 2]" 1
279 1 27 LYS HA 1 27 LYS QE . . 5.500 4.327 3.781 4.834 . 0 0 "[ . 1 . 2]" 1
280 1 27 LYS HA 1 27 LYS HG2 . . 2.750 2.541 2.283 2.836 0.086 8 0 "[ . 1 . 2]" 1
281 1 27 LYS HA 1 27 LYS HG3 . . 2.750 2.575 2.350 2.861 0.111 16 0 "[ . 1 . 2]" 1
282 1 27 LYS QB 1 27 LYS QD . . 3.460 2.209 2.102 2.400 . 0 0 "[ . 1 . 2]" 1
283 1 27 LYS QB 1 27 LYS QE . . 4.100 3.081 2.022 3.689 . 0 0 "[ . 1 . 2]" 1
284 1 27 LYS QB 1 28 LYS H . . 4.480 3.084 2.576 3.328 . 0 0 "[ . 1 . 2]" 1
285 1 28 LYS H 1 28 LYS QG . . 3.110 2.717 2.243 3.122 0.012 2 0 "[ . 1 . 2]" 1
286 1 28 LYS HA 1 28 LYS QB . . 2.600 2.345 2.127 2.543 . 0 0 "[ . 1 . 2]" 1
287 1 28 LYS HA 1 28 LYS QD . . 3.680 3.298 2.102 3.789 0.109 4 0 "[ . 1 . 2]" 1
288 1 28 LYS HA 1 28 LYS QE . . 4.690 4.126 2.043 4.742 0.052 13 0 "[ . 1 . 2]" 1
289 1 28 LYS HA 1 28 LYS QG . . 3.650 2.741 2.118 3.508 . 0 0 "[ . 1 . 2]" 1
290 1 28 LYS QB 1 28 LYS QE . . 4.340 3.067 2.046 3.874 . 0 0 "[ . 1 . 2]" 1
291 1 28 LYS QE 1 28 LYS QG . . 3.210 2.251 2.041 2.629 . 0 0 "[ . 1 . 2]" 1
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