NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601841 |
2mzf   |
25486 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mzf
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 290
_Distance_constraint_stats_list.Viol_count 769
_Distance_constraint_stats_list.Viol_total 1735.242
_Distance_constraint_stats_list.Viol_max 0.763
_Distance_constraint_stats_list.Viol_rms 0.0627
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.1128
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.954 0.119 7 0 "[ . 1 . 2]"
1 4 CYS 1.239 0.119 7 0 "[ . 1 . 2]"
1 5 THR 4.654 0.200 18 0 "[ . 1 . 2]"
1 6 PRO 3.334 0.200 18 0 "[ . 1 . 2]"
1 7 LEU 1.491 0.143 5 0 "[ . 1 . 2]"
1 8 LEU 4.556 0.143 5 0 "[ . 1 . 2]"
1 9 HIS 2.180 0.131 12 0 "[ . 1 . 2]"
1 10 ASP 6.659 0.763 8 5 "[ * .- + 1 **. 2]"
1 11 CYS 0.216 0.055 11 0 "[ . 1 . 2]"
1 12 SER 2.771 0.533 14 5 "[ * .- * 1 *+. 2]"
1 13 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.447 0.066 14 0 "[ . 1 . 2]"
1 15 ARG 13.025 0.534 3 7 "[**+*. * 1 . -*]"
1 16 HIS 5.321 0.456 5 0 "[ . 1 . 2]"
1 17 SER 1.441 0.134 19 0 "[ . 1 . 2]"
1 18 CYS 0.935 0.089 7 0 "[ . 1 . 2]"
1 19 CYS 0.609 0.086 9 0 "[ . 1 . 2]"
1 20 ARG 3.427 0.465 19 0 "[ . 1 . 2]"
1 21 GLY 2.085 0.465 19 0 "[ . 1 . 2]"
1 22 ASP 0.770 0.170 4 0 "[ . 1 . 2]"
1 23 MET 2.727 0.353 9 0 "[ . 1 . 2]"
1 24 PHE 1.929 0.423 9 0 "[ . 1 . 2]"
1 25 LYS 5.258 0.423 9 0 "[ . 1 . 2]"
1 26 TYR 2.888 0.259 1 0 "[ . 1 . 2]"
1 27 VAL 1.071 0.112 10 0 "[ . 1 . 2]"
1 28 CYS 0.008 0.008 10 0 "[ . 1 . 2]"
1 29 ASP 0.009 0.007 11 0 "[ . 1 . 2]"
1 30 CYS 0.016 0.016 6 0 "[ . 1 . 2]"
1 31 PHE 6.279 0.630 6 1 "[ .+ 1 . 2]"
1 32 TYR 6.624 0.630 6 1 "[ .+ 1 . 2]"
1 33 PRO 2.719 0.155 9 0 "[ . 1 . 2]"
1 34 GLU 3.423 0.219 6 0 "[ . 1 . 2]"
1 35 GLY 0.204 0.028 3 0 "[ . 1 . 2]"
1 36 GLU 2.505 0.410 15 0 "[ . 1 . 2]"
1 37 ASP 2.104 0.226 7 0 "[ . 1 . 2]"
1 38 LYS 4.337 0.683 10 3 "[ . + * .- 2]"
1 39 THR 1.974 0.683 10 3 "[ . + * .- 2]"
1 40 GLU 0.787 0.098 16 0 "[ . 1 . 2]"
1 41 VAL 1.210 0.131 5 0 "[ . 1 . 2]"
1 42 CYS 1.275 0.131 5 0 "[ . 1 . 2]"
1 43 SER 0.161 0.040 9 0 "[ . 1 . 2]"
1 44 CYS 1.462 0.101 4 0 "[ . 1 . 2]"
1 45 GLN 7.667 0.335 18 0 "[ . 1 . 2]"
1 46 GLN 4.321 0.389 5 0 "[ . 1 . 2]"
1 47 PRO 1.309 0.131 17 0 "[ . 1 . 2]"
1 48 LYS 1.285 0.131 17 0 "[ . 1 . 2]"
1 49 SER 0.334 0.098 4 0 "[ . 1 . 2]"
1 50 HIS 0.614 0.148 2 0 "[ . 1 . 2]"
1 51 LYS 1.312 0.204 9 0 "[ . 1 . 2]"
1 52 ILE 1.412 0.204 9 0 "[ . 1 . 2]"
1 53 ALA 0.390 0.143 4 0 "[ . 1 . 2]"
1 54 GLU 0.648 0.347 16 0 "[ . 1 . 2]"
1 55 LYS 2.087 0.576 6 3 "[* -+ 1 . 2]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ILE 0.371 0.233 9 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 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 2 LYS HA 1 3 ALA H . . 3.660 2.839 2.153 3.567 . 0 0 "[ . 1 . 2]" 1
2 1 3 ALA HA 1 4 CYS H . . 2.970 2.630 2.156 3.089 0.119 7 0 "[ . 1 . 2]" 1
3 1 3 ALA MB 1 4 CYS H . . 3.700 3.123 2.374 3.536 . 0 0 "[ . 1 . 2]" 1
4 1 4 CYS H 1 4 CYS QB . . 3.540 2.614 2.437 2.780 . 0 0 "[ . 1 . 2]" 1
5 1 4 CYS HA 1 5 THR H . . 2.750 2.709 2.696 2.755 0.005 9 0 "[ . 1 . 2]" 1
6 1 4 CYS QB 1 5 THR H . . 3.000 1.904 1.886 2.031 . 0 0 "[ . 1 . 2]" 1
7 1 4 CYS QB 1 19 CYS H . . 3.580 3.555 3.376 3.666 0.086 9 0 "[ . 1 . 2]" 1
8 1 5 THR H 1 5 THR HB . . 2.870 2.663 2.632 2.893 0.023 2 0 "[ . 1 . 2]" 1
9 1 5 THR H 1 5 THR MG . . 3.840 3.858 3.850 3.921 0.081 17 0 "[ . 1 . 2]" 1
10 1 5 THR H 1 6 PRO HD3 . . 3.620 3.787 3.673 3.820 0.200 18 0 "[ . 1 . 2]" 1
11 1 5 THR H 1 18 CYS HA . . 3.250 3.270 2.783 3.339 0.089 7 0 "[ . 1 . 2]" 1
12 1 5 THR HB 1 19 CYS H . . 3.680 3.454 3.383 3.599 . 0 0 "[ . 1 . 2]" 1
13 1 5 THR MG 1 9 HIS H . . 4.080 3.875 3.772 4.033 . 0 0 "[ . 1 . 2]" 1
14 1 5 THR MG 1 10 ASP H . . 4.280 3.878 3.733 3.986 . 0 0 "[ . 1 . 2]" 1
15 1 5 THR MG 1 44 CYS H . . 4.010 3.804 3.688 3.995 . 0 0 "[ . 1 . 2]" 1
16 1 6 PRO HA 1 7 LEU H . . 2.920 2.682 2.658 2.703 . 0 0 "[ . 1 . 2]" 1
17 1 6 PRO HB2 1 7 LEU H . . 3.590 1.984 1.942 2.033 . 0 0 "[ . 1 . 2]" 1
18 1 6 PRO HB3 1 7 LEU H . . 3.420 3.176 3.161 3.194 . 0 0 "[ . 1 . 2]" 1
19 1 7 LEU H 1 7 LEU HB2 . . 2.900 2.279 2.215 2.343 . 0 0 "[ . 1 . 2]" 1
20 1 7 LEU H 1 7 LEU HB3 . . 3.120 2.772 2.689 2.858 . 0 0 "[ . 1 . 2]" 1
21 1 7 LEU H 1 7 LEU MD1 . . 4.360 3.846 3.655 3.979 . 0 0 "[ . 1 . 2]" 1
22 1 7 LEU H 1 7 LEU MD2 . . 4.440 4.311 4.262 4.351 . 0 0 "[ . 1 . 2]" 1
23 1 7 LEU H 1 19 CYS HB2 . . 4.770 4.759 4.459 4.801 0.031 7 0 "[ . 1 . 2]" 1
24 1 7 LEU H 1 26 TYR QD . . 4.870 3.986 3.540 4.459 . 0 0 "[ . 1 . 2]" 1
25 1 7 LEU H 1 26 TYR QE . . 3.900 3.322 2.686 3.848 . 0 0 "[ . 1 . 2]" 1
26 1 7 LEU HA 1 8 LEU H . . 2.510 2.317 2.296 2.366 . 0 0 "[ . 1 . 2]" 1
27 1 7 LEU MD2 1 8 LEU H . . 3.090 3.148 3.092 3.233 0.143 5 0 "[ . 1 . 2]" 1
28 1 7 LEU MD2 1 46 GLN H . . 3.760 3.472 2.969 3.770 0.010 8 0 "[ . 1 . 2]" 1
29 1 7 LEU HG 1 8 LEU H . . 3.420 2.026 1.898 2.188 . 0 0 "[ . 1 . 2]" 1
30 1 8 LEU H 1 8 LEU HA . . 2.530 2.274 2.273 2.276 . 0 0 "[ . 1 . 2]" 1
31 1 8 LEU H 1 8 LEU HB2 . . 3.990 3.695 3.632 3.725 . 0 0 "[ . 1 . 2]" 1
32 1 8 LEU H 1 8 LEU HB3 . . 4.080 4.004 3.955 4.014 . 0 0 "[ . 1 . 2]" 1
33 1 8 LEU H 1 8 LEU QD . . 3.190 2.895 2.471 3.056 . 0 0 "[ . 1 . 2]" 1
34 1 8 LEU H 1 8 LEU HG . . 3.710 2.874 2.762 2.964 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU H 1 9 HIS H . . 3.010 2.611 2.576 2.714 . 0 0 "[ . 1 . 2]" 1
36 1 8 LEU H 1 44 CYS QB . . 3.290 3.101 2.936 3.222 . 0 0 "[ . 1 . 2]" 1
37 1 8 LEU HA 1 9 HIS H . . 3.910 2.918 2.885 2.944 . 0 0 "[ . 1 . 2]" 1
38 1 8 LEU HA 1 44 CYS H . . 4.330 4.403 4.362 4.431 0.101 4 0 "[ . 1 . 2]" 1
39 1 8 LEU HB2 1 9 HIS H . . 3.970 4.067 4.038 4.101 0.131 12 0 "[ . 1 . 2]" 1
40 1 9 HIS H 1 9 HIS QB . . 2.930 2.534 2.492 2.565 . 0 0 "[ . 1 . 2]" 1
41 1 9 HIS H 1 44 CYS QB . . 3.790 2.793 2.563 3.002 . 0 0 "[ . 1 . 2]" 1
42 1 9 HIS HA 1 10 ASP H . . 2.880 2.199 2.178 2.216 . 0 0 "[ . 1 . 2]" 1
43 1 9 HIS QB 1 10 ASP H . . 3.110 3.110 2.998 3.145 0.035 6 0 "[ . 1 . 2]" 1
44 1 10 ASP H 1 10 ASP HB2 . . 2.800 2.937 2.701 3.563 0.763 8 5 "[ * .* + 1 *-. 2]" 1
45 1 10 ASP H 1 10 ASP HB3 . . 4.020 3.378 2.784 3.579 . 0 0 "[ . 1 . 2]" 1
46 1 10 ASP HA 1 11 CYS H . . 2.620 2.218 2.156 2.282 . 0 0 "[ . 1 . 2]" 1
47 1 10 ASP HA 1 12 SER H . . 3.990 3.798 3.593 3.934 . 0 0 "[ . 1 . 2]" 1
48 1 10 ASP HB2 1 11 CYS H . . 3.970 3.643 2.883 3.988 0.018 17 0 "[ . 1 . 2]" 1
49 1 10 ASP HB2 1 12 SER H . . 4.250 3.632 2.749 4.187 . 0 0 "[ . 1 . 2]" 1
50 1 10 ASP HB3 1 11 CYS H . . 3.960 3.209 2.785 3.929 . 0 0 "[ . 1 . 2]" 1
51 1 10 ASP HB3 1 12 SER H . . 3.780 3.326 2.908 4.313 0.533 14 5 "[ * .- * 1 *+. 2]" 1
52 1 11 CYS H 1 11 CYS HB3 . . 3.700 3.160 2.908 3.434 . 0 0 "[ . 1 . 2]" 1
53 1 11 CYS H 1 12 SER H . . 2.810 2.163 1.887 2.407 . 0 0 "[ . 1 . 2]" 1
54 1 11 CYS H 1 43 SER HA . . 3.070 2.677 2.295 2.873 . 0 0 "[ . 1 . 2]" 1
55 1 11 CYS HA 1 12 SER H . . 3.700 3.033 2.940 3.262 . 0 0 "[ . 1 . 2]" 1
56 1 11 CYS HA 1 13 HIS H . . 4.410 3.305 3.164 3.783 . 0 0 "[ . 1 . 2]" 1
57 1 11 CYS HA 1 14 ASP H . . 4.570 3.533 3.301 3.710 . 0 0 "[ . 1 . 2]" 1
58 1 11 CYS HB3 1 12 SER H . . 4.550 4.508 4.274 4.605 0.055 11 0 "[ . 1 . 2]" 1
59 1 12 SER H 1 12 SER QB . . 2.850 2.313 2.059 2.744 . 0 0 "[ . 1 . 2]" 1
60 1 12 SER H 1 13 HIS H . . 3.470 2.657 2.497 2.748 . 0 0 "[ . 1 . 2]" 1
61 1 12 SER HA 1 13 HIS H . . 3.930 3.466 3.406 3.540 . 0 0 "[ . 1 . 2]" 1
62 1 12 SER HA 1 14 ASP H . . 4.670 4.176 3.963 4.584 . 0 0 "[ . 1 . 2]" 1
63 1 12 SER QB 1 13 HIS H . . 3.960 3.021 2.529 3.626 . 0 0 "[ . 1 . 2]" 1
64 1 12 SER QB 1 42 CYS H . . 3.790 3.703 3.516 3.742 . 0 0 "[ . 1 . 2]" 1
65 1 13 HIS H 1 13 HIS HB2 . . 3.160 2.379 2.224 2.632 . 0 0 "[ . 1 . 2]" 1
66 1 13 HIS H 1 13 HIS HB3 . . 3.740 3.395 2.653 3.593 . 0 0 "[ . 1 . 2]" 1
67 1 13 HIS H 1 14 ASP H . . 3.050 2.669 2.575 2.755 . 0 0 "[ . 1 . 2]" 1
68 1 13 HIS HB2 1 14 ASP H . . 4.030 2.947 2.490 3.790 . 0 0 "[ . 1 . 2]" 1
69 1 13 HIS HB3 1 14 ASP H . . 4.240 3.386 2.471 3.914 . 0 0 "[ . 1 . 2]" 1
70 1 14 ASP H 1 14 ASP QB . . 3.470 2.861 2.797 3.389 . 0 0 "[ . 1 . 2]" 1
71 1 14 ASP H 1 15 ARG H . . 3.940 3.940 3.554 4.006 0.066 14 0 "[ . 1 . 2]" 1
72 1 14 ASP HA 1 15 ARG H . . 3.010 2.143 2.138 2.201 . 0 0 "[ . 1 . 2]" 1
73 1 14 ASP QB 1 15 ARG H . . 4.320 3.527 3.387 3.843 . 0 0 "[ . 1 . 2]" 1
74 1 14 ASP QB 1 17 SER H . . 4.350 2.805 2.188 3.726 . 0 0 "[ . 1 . 2]" 1
75 1 15 ARG H 1 15 ARG HA . . 2.940 2.800 2.757 2.829 . 0 0 "[ . 1 . 2]" 1
76 1 15 ARG H 1 15 ARG HB2 . . 3.770 3.190 2.435 3.589 . 0 0 "[ . 1 . 2]" 1
77 1 15 ARG H 1 15 ARG HB3 . . 3.080 2.953 2.397 3.593 0.513 4 6 "[** +. * 1 . -*]" 1
78 1 15 ARG H 1 15 ARG HD2 . . 4.450 3.910 1.967 4.984 0.534 3 1 "[ + . 1 . 2]" 1
79 1 15 ARG H 1 15 ARG HD3 . . 4.980 3.914 2.084 4.707 . 0 0 "[ . 1 . 2]" 1
80 1 15 ARG H 1 15 ARG HG2 . . 3.590 2.632 2.144 3.613 0.023 6 0 "[ . 1 . 2]" 1
81 1 15 ARG H 1 15 ARG HG3 . . 3.160 3.060 2.007 3.660 0.500 12 0 "[ . 1 . 2]" 1
82 1 15 ARG H 1 16 HIS H . . 3.310 2.656 2.597 2.778 . 0 0 "[ . 1 . 2]" 1
83 1 15 ARG HA 1 16 HIS H . . 3.800 3.433 3.372 3.505 . 0 0 "[ . 1 . 2]" 1
84 1 15 ARG HA 1 17 SER H . . 4.180 3.729 3.559 3.851 . 0 0 "[ . 1 . 2]" 1
85 1 15 ARG HB2 1 16 HIS H . . 4.900 3.660 2.940 4.268 . 0 0 "[ . 1 . 2]" 1
86 1 15 ARG HB3 1 16 HIS H . . 4.070 4.106 3.798 4.229 0.159 7 0 "[ . 1 . 2]" 1
87 1 16 HIS H 1 16 HIS HB2 . . 3.860 2.813 2.289 3.723 . 0 0 "[ . 1 . 2]" 1
88 1 16 HIS H 1 16 HIS HB3 . . 3.190 3.196 2.788 3.646 0.456 5 0 "[ . 1 . 2]" 1
89 1 16 HIS H 1 17 SER H . . 3.010 2.540 2.164 2.925 . 0 0 "[ . 1 . 2]" 1
90 1 16 HIS HA 1 17 SER H . . 3.750 3.034 2.855 3.222 . 0 0 "[ . 1 . 2]" 1
91 1 16 HIS HB2 1 17 SER H . . 4.300 4.270 3.999 4.434 0.134 19 0 "[ . 1 . 2]" 1
92 1 16 HIS HB3 1 17 SER H . . 4.400 4.277 3.924 4.449 0.049 15 0 "[ . 1 . 2]" 1
93 1 17 SER H 1 17 SER HB2 . . 3.730 2.914 2.130 3.698 . 0 0 "[ . 1 . 2]" 1
94 1 17 SER H 1 17 SER HB3 . . 3.290 2.558 2.225 3.405 0.115 3 0 "[ . 1 . 2]" 1
95 1 17 SER H 1 18 CYS H . . 3.440 2.211 2.107 2.467 . 0 0 "[ . 1 . 2]" 1
96 1 17 SER HA 1 18 CYS H . . 3.790 3.448 3.401 3.482 . 0 0 "[ . 1 . 2]" 1
97 1 18 CYS H 1 18 CYS HB2 . . 3.160 2.393 2.339 2.517 . 0 0 "[ . 1 . 2]" 1
98 1 18 CYS H 1 18 CYS HB3 . . 3.810 3.576 3.564 3.591 . 0 0 "[ . 1 . 2]" 1
99 1 18 CYS HA 1 19 CYS H . . 2.590 2.240 2.202 2.355 . 0 0 "[ . 1 . 2]" 1
100 1 18 CYS HB3 1 19 CYS H . . 3.400 2.903 2.545 3.050 . 0 0 "[ . 1 . 2]" 1
101 1 19 CYS H 1 19 CYS HB2 . . 3.130 2.562 2.207 2.629 . 0 0 "[ . 1 . 2]" 1
102 1 19 CYS H 1 19 CYS HB3 . . 3.750 3.582 3.508 3.590 . 0 0 "[ . 1 . 2]" 1
103 1 19 CYS HA 1 20 ARG H . . 3.060 2.518 2.382 2.681 . 0 0 "[ . 1 . 2]" 1
104 1 19 CYS HB3 1 20 ARG H . . 3.400 2.233 1.949 2.572 . 0 0 "[ . 1 . 2]" 1
105 1 20 ARG H 1 20 ARG HB2 . . 4.060 3.413 2.647 3.851 . 0 0 "[ . 1 . 2]" 1
106 1 20 ARG H 1 20 ARG HB3 . . 3.610 3.466 2.975 3.846 0.236 17 0 "[ . 1 . 2]" 1
107 1 20 ARG H 1 20 ARG HG2 . . 4.020 3.022 2.253 4.132 0.112 20 0 "[ . 1 . 2]" 1
108 1 20 ARG H 1 20 ARG HG3 . . 4.120 2.938 2.076 3.832 . 0 0 "[ . 1 . 2]" 1
109 1 20 ARG HA 1 26 TYR H . . 3.400 3.369 3.008 3.424 0.024 6 0 "[ . 1 . 2]" 1
110 1 20 ARG HB2 1 21 GLY H . . 4.160 2.963 2.257 3.978 . 0 0 "[ . 1 . 2]" 1
111 1 20 ARG HB3 1 21 GLY H . . 3.720 3.563 2.363 4.185 0.465 19 0 "[ . 1 . 2]" 1
112 1 21 GLY H 1 21 GLY HA3 . . 2.780 2.616 2.308 2.821 0.041 9 0 "[ . 1 . 2]" 1
113 1 21 GLY H 1 22 ASP H . . 4.430 4.361 4.119 4.532 0.102 19 0 "[ . 1 . 2]" 1
114 1 21 GLY HA3 1 22 ASP H . . 3.400 2.509 2.234 2.769 . 0 0 "[ . 1 . 2]" 1
115 1 22 ASP H 1 22 ASP HB2 . . 3.380 2.585 2.376 2.988 . 0 0 "[ . 1 . 2]" 1
116 1 22 ASP H 1 22 ASP HB3 . . 3.180 2.664 2.326 2.853 . 0 0 "[ . 1 . 2]" 1
117 1 22 ASP H 1 23 MET H . . 3.820 2.332 2.119 3.045 . 0 0 "[ . 1 . 2]" 1
118 1 22 ASP HB2 1 23 MET H . . 4.040 3.885 3.461 4.210 0.170 4 0 "[ . 1 . 2]" 1
119 1 22 ASP HB3 1 23 MET H . . 4.590 2.868 1.950 3.305 . 0 0 "[ . 1 . 2]" 1
120 1 23 MET H 1 23 MET HB3 . . 3.580 3.260 2.334 3.811 0.231 9 0 "[ . 1 . 2]" 1
121 1 23 MET H 1 23 MET HG2 . . 4.260 3.745 2.421 4.487 0.227 7 0 "[ . 1 . 2]" 1
122 1 23 MET H 1 23 MET HG3 . . 4.420 3.257 2.286 4.457 0.037 19 0 "[ . 1 . 2]" 1
123 1 23 MET H 1 24 PHE H . . 3.070 2.611 1.890 2.825 . 0 0 "[ . 1 . 2]" 1
124 1 23 MET HA 1 24 PHE H . . 4.050 3.523 2.849 3.572 . 0 0 "[ . 1 . 2]" 1
125 1 23 MET HB3 1 24 PHE H . . 4.160 2.915 2.067 4.513 0.353 9 0 "[ . 1 . 2]" 1
126 1 24 PHE H 1 24 PHE HB3 . . 3.770 3.567 2.908 3.906 0.136 5 0 "[ . 1 . 2]" 1
127 1 24 PHE HA 1 25 LYS H . . 2.950 2.339 2.141 3.163 0.213 9 0 "[ . 1 . 2]" 1
128 1 24 PHE HB2 1 25 LYS H . . 4.070 3.912 3.445 4.096 0.026 4 0 "[ . 1 . 2]" 1
129 1 24 PHE HB3 1 25 LYS H . . 3.720 3.076 2.525 4.143 0.423 9 0 "[ . 1 . 2]" 1
130 1 25 LYS H 1 25 LYS HB2 . . 3.470 3.060 2.291 3.690 0.220 19 0 "[ . 1 . 2]" 1
131 1 25 LYS H 1 25 LYS HB3 . . 3.680 2.891 2.383 3.636 . 0 0 "[ . 1 . 2]" 1
132 1 25 LYS H 1 25 LYS HG2 . . 4.680 3.514 1.972 4.525 . 0 0 "[ . 1 . 2]" 1
133 1 25 LYS H 1 25 LYS HG3 . . 4.400 3.712 1.956 4.595 0.195 17 0 "[ . 1 . 2]" 1
134 1 25 LYS HA 1 26 TYR H . . 2.740 2.262 2.165 2.486 . 0 0 "[ . 1 . 2]" 1
135 1 25 LYS HB2 1 26 TYR H . . 4.310 3.479 2.280 4.287 . 0 0 "[ . 1 . 2]" 1
136 1 25 LYS HB3 1 26 TYR H . . 4.070 3.710 2.917 4.246 0.176 9 0 "[ . 1 . 2]" 1
137 1 25 LYS HG2 1 26 TYR H . . 4.340 3.855 2.112 4.599 0.259 1 0 "[ . 1 . 2]" 1
138 1 25 LYS HG3 1 26 TYR H . . 4.590 3.891 2.113 4.590 . 0 0 "[ . 1 . 2]" 1
139 1 26 TYR H 1 26 TYR HB2 . . 3.460 2.560 2.319 2.700 . 0 0 "[ . 1 . 2]" 1
140 1 26 TYR H 1 26 TYR HB3 . . 3.550 3.600 3.561 3.658 0.108 9 0 "[ . 1 . 2]" 1
141 1 26 TYR H 1 26 TYR QD . . 3.920 3.101 2.606 3.411 . 0 0 "[ . 1 . 2]" 1
142 1 26 TYR H 1 26 TYR QE . . 5.150 4.450 4.183 4.848 . 0 0 "[ . 1 . 2]" 1
143 1 26 TYR HA 1 27 VAL H . . 2.840 2.240 2.151 2.378 . 0 0 "[ . 1 . 2]" 1
144 1 26 TYR HB3 1 27 VAL H . . 3.390 2.916 2.554 3.293 . 0 0 "[ . 1 . 2]" 1
145 1 26 TYR QD 1 27 VAL H . . 4.270 3.897 3.341 4.196 . 0 0 "[ . 1 . 2]" 1
146 1 27 VAL H 1 27 VAL HB . . 3.640 3.686 3.675 3.752 0.112 10 0 "[ . 1 . 2]" 1
147 1 27 VAL H 1 27 VAL MG1 . . 4.020 2.991 2.647 3.084 . 0 0 "[ . 1 . 2]" 1
148 1 27 VAL H 1 27 VAL MG2 . . 3.200 1.985 1.926 2.107 . 0 0 "[ . 1 . 2]" 1
149 1 27 VAL H 1 45 GLN H . . 3.260 3.232 2.985 3.285 0.025 19 0 "[ . 1 . 2]" 1
150 1 27 VAL H 1 47 PRO HD3 . . 4.120 3.991 3.025 4.127 0.007 5 0 "[ . 1 . 2]" 1
151 1 27 VAL HA 1 28 CYS H . . 2.740 2.223 2.151 2.506 . 0 0 "[ . 1 . 2]" 1
152 1 27 VAL HB 1 28 CYS H . . 3.300 2.962 2.146 3.271 . 0 0 "[ . 1 . 2]" 1
153 1 27 VAL MG1 1 28 CYS H . . 3.820 3.681 3.437 3.828 0.008 10 0 "[ . 1 . 2]" 1
154 1 27 VAL MG2 1 45 GLN H . . 3.940 3.154 2.972 3.310 . 0 0 "[ . 1 . 2]" 1
155 1 28 CYS H 1 28 CYS QB . . 2.900 2.189 2.142 2.242 . 0 0 "[ . 1 . 2]" 1
156 1 28 CYS HA 1 29 ASP H . . 2.760 2.150 2.138 2.174 . 0 0 "[ . 1 . 2]" 1
157 1 29 ASP H 1 29 ASP QB . . 3.040 2.419 2.241 2.553 . 0 0 "[ . 1 . 2]" 1
158 1 29 ASP H 1 43 SER H . . 3.580 3.271 2.868 3.587 0.007 11 0 "[ . 1 . 2]" 1
159 1 29 ASP H 1 44 CYS HA . . 4.030 3.406 3.090 3.799 . 0 0 "[ . 1 . 2]" 1
160 1 29 ASP HA 1 30 CYS H . . 2.690 2.179 2.138 2.235 . 0 0 "[ . 1 . 2]" 1
161 1 29 ASP QB 1 30 CYS H . . 4.110 3.453 3.194 3.677 . 0 0 "[ . 1 . 2]" 1
162 1 30 CYS H 1 30 CYS HB2 . . 3.150 2.563 2.465 2.664 . 0 0 "[ . 1 . 2]" 1
163 1 30 CYS H 1 30 CYS HB3 . . 3.810 3.708 3.664 3.752 . 0 0 "[ . 1 . 2]" 1
164 1 30 CYS HA 1 31 PHE H . . 2.720 2.194 2.142 2.218 . 0 0 "[ . 1 . 2]" 1
165 1 30 CYS HB2 1 31 PHE H . . 4.230 4.044 3.938 4.246 0.016 6 0 "[ . 1 . 2]" 1
166 1 30 CYS HB3 1 31 PHE H . . 3.670 3.065 2.953 3.394 . 0 0 "[ . 1 . 2]" 1
167 1 31 PHE H 1 31 PHE HB2 . . 3.990 3.851 3.733 3.941 . 0 0 "[ . 1 . 2]" 1
168 1 31 PHE H 1 31 PHE HB3 . . 3.980 3.425 3.183 3.635 . 0 0 "[ . 1 . 2]" 1
169 1 31 PHE H 1 31 PHE QD . . 3.840 2.945 2.615 3.163 . 0 0 "[ . 1 . 2]" 1
170 1 31 PHE H 1 40 GLU HA . . 4.590 4.543 3.991 4.688 0.098 16 0 "[ . 1 . 2]" 1
171 1 31 PHE H 1 40 GLU QB . . 3.810 3.553 2.825 3.762 . 0 0 "[ . 1 . 2]" 1
172 1 31 PHE H 1 41 VAL H . . 3.320 3.120 2.717 3.377 0.057 7 0 "[ . 1 . 2]" 1
173 1 31 PHE H 1 41 VAL HB . . 4.250 3.570 3.329 3.922 . 0 0 "[ . 1 . 2]" 1
174 1 31 PHE HA 1 32 TYR H . . 2.960 2.565 2.363 2.703 . 0 0 "[ . 1 . 2]" 1
175 1 31 PHE HB2 1 32 TYR H . . 3.880 2.142 1.932 2.534 . 0 0 "[ . 1 . 2]" 1
176 1 31 PHE HB3 1 32 TYR H . . 3.230 3.506 3.273 3.860 0.630 6 1 "[ .+ 1 . 2]" 1
177 1 32 TYR H 1 32 TYR HB2 . . 3.180 2.765 2.546 2.921 . 0 0 "[ . 1 . 2]" 1
178 1 32 TYR H 1 32 TYR QE . . 4.470 4.376 4.168 4.504 0.034 3 0 "[ . 1 . 2]" 1
179 1 32 TYR H 1 33 PRO HD2 . . 5.050 4.520 4.203 4.833 . 0 0 "[ . 1 . 2]" 1
180 1 32 TYR H 1 33 PRO HD3 . . 4.830 4.231 3.545 4.985 0.155 9 0 "[ . 1 . 2]" 1
181 1 32 TYR HA 1 41 VAL H . . 4.310 3.290 3.020 3.634 . 0 0 "[ . 1 . 2]" 1
182 1 33 PRO HA 1 34 GLU H . . 3.220 2.878 2.490 3.372 0.152 9 0 "[ . 1 . 2]" 1
183 1 33 PRO HD2 1 34 GLU H . . 4.620 3.929 2.871 4.753 0.133 10 0 "[ . 1 . 2]" 1
184 1 33 PRO HD3 1 41 VAL H . . 4.140 3.306 2.729 3.954 . 0 0 "[ . 1 . 2]" 1
185 1 34 GLU H 1 34 GLU HB2 . . 3.350 3.165 2.937 3.495 0.145 6 0 "[ . 1 . 2]" 1
186 1 34 GLU H 1 34 GLU HB3 . . 3.790 3.835 3.759 4.009 0.219 6 0 "[ . 1 . 2]" 1
187 1 34 GLU H 1 34 GLU QG . . 4.180 3.741 2.491 4.182 0.002 4 0 "[ . 1 . 2]" 1
188 1 34 GLU H 1 35 GLY H . . 3.770 2.647 2.514 2.826 . 0 0 "[ . 1 . 2]" 1
189 1 34 GLU HA 1 35 GLY H . . 2.990 2.943 2.914 2.994 0.004 18 0 "[ . 1 . 2]" 1
190 1 34 GLU HB2 1 35 GLY H . . 4.460 4.391 4.027 4.488 0.028 3 0 "[ . 1 . 2]" 1
191 1 34 GLU HB3 1 35 GLY H . . 4.460 4.147 4.010 4.459 . 0 0 "[ . 1 . 2]" 1
192 1 34 GLU QG 1 35 GLY H . . 4.800 4.485 4.441 4.664 . 0 0 "[ . 1 . 2]" 1
193 1 35 GLY HA2 1 36 GLU H . . 3.870 2.893 2.141 3.570 . 0 0 "[ . 1 . 2]" 1
194 1 35 GLY HA3 1 36 GLU H . . 3.550 3.112 2.598 3.567 0.017 15 0 "[ . 1 . 2]" 1
195 1 36 GLU H 1 36 GLU HB2 . . 4.200 2.979 2.335 3.691 . 0 0 "[ . 1 . 2]" 1
196 1 36 GLU H 1 36 GLU HB3 . . 3.620 3.117 2.279 3.700 0.080 3 0 "[ . 1 . 2]" 1
197 1 36 GLU H 1 36 GLU HG2 . . 5.460 2.954 1.944 4.645 . 0 0 "[ . 1 . 2]" 1
198 1 36 GLU H 1 36 GLU HG3 . . 4.140 3.408 1.961 4.550 0.410 15 0 "[ . 1 . 2]" 1
199 1 36 GLU H 1 37 ASP H . . 4.050 3.414 2.114 4.219 0.169 3 0 "[ . 1 . 2]" 1
200 1 36 GLU HA 1 37 ASP H . . 3.410 2.797 2.163 3.553 0.143 10 0 "[ . 1 . 2]" 1
201 1 36 GLU HB2 1 37 ASP H . . 4.510 4.073 1.984 4.649 0.139 2 0 "[ . 1 . 2]" 1
202 1 36 GLU HB3 1 37 ASP H . . 4.370 3.914 2.803 4.596 0.226 7 0 "[ . 1 . 2]" 1
203 1 37 ASP H 1 37 ASP QB . . 3.590 2.585 2.284 2.998 . 0 0 "[ . 1 . 2]" 1
204 1 37 ASP H 1 38 LYS H . . 3.410 2.755 2.145 3.473 0.063 11 0 "[ . 1 . 2]" 1
205 1 37 ASP HA 1 38 LYS H . . 3.800 3.150 2.617 3.565 . 0 0 "[ . 1 . 2]" 1
206 1 37 ASP QB 1 38 LYS H . . 4.660 3.381 1.971 4.027 . 0 0 "[ . 1 . 2]" 1
207 1 38 LYS H 1 38 LYS HB2 . . 3.430 2.782 2.312 3.764 0.334 12 0 "[ . 1 . 2]" 1
208 1 38 LYS H 1 38 LYS HB3 . . 4.080 3.215 2.464 3.850 . 0 0 "[ . 1 . 2]" 1
209 1 38 LYS H 1 38 LYS QD . . 5.490 4.360 2.886 4.958 . 0 0 "[ . 1 . 2]" 1
210 1 38 LYS H 1 38 LYS HG2 . . 4.560 3.938 2.486 4.845 0.285 14 0 "[ . 1 . 2]" 1
211 1 38 LYS H 1 38 LYS HG3 . . 4.740 3.880 2.049 4.721 . 0 0 "[ . 1 . 2]" 1
212 1 38 LYS HA 1 39 THR H . . 3.570 3.239 2.144 3.566 . 0 0 "[ . 1 . 2]" 1
213 1 38 LYS HB2 1 39 THR H . . 4.000 3.307 1.999 3.999 . 0 0 "[ . 1 . 2]" 1
214 1 38 LYS HB3 1 39 THR H . . 3.530 2.895 1.904 4.213 0.683 10 3 "[ . + * .- 2]" 1
215 1 39 THR H 1 39 THR HB . . 3.590 3.273 2.935 3.581 . 0 0 "[ . 1 . 2]" 1
216 1 39 THR H 1 39 THR MG . . 4.390 3.201 2.101 4.057 . 0 0 "[ . 1 . 2]" 1
217 1 39 THR HA 1 40 GLU H . . 2.860 2.394 2.162 2.681 . 0 0 "[ . 1 . 2]" 1
218 1 39 THR MG 1 40 GLU H . . 3.930 3.000 1.934 3.995 0.065 12 0 "[ . 1 . 2]" 1
219 1 40 GLU H 1 40 GLU QB . . 3.380 2.605 2.319 2.984 . 0 0 "[ . 1 . 2]" 1
220 1 40 GLU HA 1 41 VAL H . . 2.800 2.200 2.139 2.353 . 0 0 "[ . 1 . 2]" 1
221 1 41 VAL H 1 41 VAL HB . . 3.480 2.631 2.521 2.873 . 0 0 "[ . 1 . 2]" 1
222 1 41 VAL H 1 41 VAL MG1 . . 4.530 3.813 3.775 3.949 . 0 0 "[ . 1 . 2]" 1
223 1 41 VAL H 1 41 VAL MG2 . . 3.560 2.319 2.072 2.695 . 0 0 "[ . 1 . 2]" 1
224 1 41 VAL HA 1 42 CYS H . . 2.750 2.144 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
225 1 41 VAL HB 1 42 CYS H . . 4.150 4.206 4.149 4.281 0.131 5 0 "[ . 1 . 2]" 1
226 1 41 VAL MG1 1 42 CYS H . . 3.650 2.675 2.299 2.925 . 0 0 "[ . 1 . 2]" 1
227 1 41 VAL MG2 1 42 CYS H . . 4.370 4.149 3.997 4.249 . 0 0 "[ . 1 . 2]" 1
228 1 42 CYS H 1 42 CYS HB2 . . 3.580 2.558 2.483 2.631 . 0 0 "[ . 1 . 2]" 1
229 1 42 CYS H 1 42 CYS HB3 . . 4.150 3.708 3.668 3.745 . 0 0 "[ . 1 . 2]" 1
230 1 42 CYS HA 1 43 SER H . . 2.740 2.143 2.139 2.153 . 0 0 "[ . 1 . 2]" 1
231 1 42 CYS HB2 1 43 SER H . . 4.370 4.328 4.187 4.410 0.040 9 0 "[ . 1 . 2]" 1
232 1 42 CYS HB3 1 43 SER H . . 3.840 3.576 3.374 3.705 . 0 0 "[ . 1 . 2]" 1
233 1 43 SER H 1 43 SER HB2 . . 4.290 3.828 3.655 3.858 . 0 0 "[ . 1 . 2]" 1
234 1 43 SER H 1 43 SER HB3 . . 4.330 3.007 2.802 3.445 . 0 0 "[ . 1 . 2]" 1
235 1 43 SER HA 1 44 CYS H . . 2.690 2.469 2.424 2.545 . 0 0 "[ . 1 . 2]" 1
236 1 43 SER HB2 1 44 CYS H . . 3.200 2.414 2.252 2.612 . 0 0 "[ . 1 . 2]" 1
237 1 43 SER HB3 1 44 CYS H . . 4.040 3.798 3.403 3.957 . 0 0 "[ . 1 . 2]" 1
238 1 44 CYS H 1 44 CYS QB . . 3.000 2.464 2.427 2.548 . 0 0 "[ . 1 . 2]" 1
239 1 44 CYS HA 1 45 GLN H . . 2.550 2.142 2.139 2.147 . 0 0 "[ . 1 . 2]" 1
240 1 44 CYS QB 1 45 GLN H . . 3.370 3.286 3.215 3.374 0.004 6 0 "[ . 1 . 2]" 1
241 1 45 GLN H 1 45 GLN HB2 . . 3.020 2.636 2.527 2.762 . 0 0 "[ . 1 . 2]" 1
242 1 45 GLN H 1 45 GLN HB3 . . 3.750 3.771 3.697 3.814 0.064 18 0 "[ . 1 . 2]" 1
243 1 45 GLN H 1 45 GLN HG2 . . 3.980 3.145 2.665 3.422 . 0 0 "[ . 1 . 2]" 1
244 1 45 GLN H 1 45 GLN HG3 . . 3.670 3.966 3.875 4.005 0.335 18 0 "[ . 1 . 2]" 1
245 1 45 GLN HA 1 45 GLN HE21 . . 5.440 2.831 2.178 3.936 . 0 0 "[ . 1 . 2]" 1
246 1 45 GLN HA 1 45 GLN HE22 . . 5.290 3.889 3.615 4.526 . 0 0 "[ . 1 . 2]" 1
247 1 45 GLN HA 1 46 GLN H . . 3.080 2.341 2.272 2.469 . 0 0 "[ . 1 . 2]" 1
248 1 45 GLN HB2 1 45 GLN HE22 . . 5.410 5.156 4.817 5.307 . 0 0 "[ . 1 . 2]" 1
249 1 45 GLN HB2 1 46 GLN H . . 3.830 3.777 3.532 3.868 0.038 16 0 "[ . 1 . 2]" 1
250 1 45 GLN HB3 1 45 GLN HE22 . . 5.140 4.069 3.416 4.390 . 0 0 "[ . 1 . 2]" 1
251 1 45 GLN HB3 1 46 GLN H . . 3.100 2.591 2.282 2.783 . 0 0 "[ . 1 . 2]" 1
252 1 45 GLN HE21 1 45 GLN HG3 . . 3.550 3.334 2.673 3.520 . 0 0 "[ . 1 . 2]" 1
253 1 45 GLN HE22 1 45 GLN HG3 . . 3.970 3.987 3.667 4.082 0.112 13 0 "[ . 1 . 2]" 1
254 1 46 GLN H 1 46 GLN HB2 . . 3.430 2.773 2.125 3.661 0.231 19 0 "[ . 1 . 2]" 1
255 1 46 GLN H 1 46 GLN HB3 . . 3.200 3.226 2.943 3.589 0.389 5 0 "[ . 1 . 2]" 1
256 1 46 GLN H 1 46 GLN QE . . 5.500 4.113 3.732 4.585 . 0 0 "[ . 1 . 2]" 1
257 1 46 GLN H 1 46 GLN QG . . 3.590 2.804 1.872 3.596 0.006 14 0 "[ . 1 . 2]" 1
258 1 46 GLN HB2 1 46 GLN QE . . 3.890 3.302 2.130 4.250 0.360 5 0 "[ . 1 . 2]" 1
259 1 47 PRO HA 1 48 LYS H . . 2.910 2.730 2.578 2.944 0.034 11 0 "[ . 1 . 2]" 1
260 1 47 PRO QB 1 48 LYS H . . 4.600 2.876 2.047 3.974 . 0 0 "[ . 1 . 2]" 1
261 1 47 PRO HG2 1 48 LYS H . . 4.070 4.112 3.956 4.201 0.131 17 0 "[ . 1 . 2]" 1
262 1 48 LYS H 1 48 LYS QB . . 3.440 2.685 2.041 3.359 . 0 0 "[ . 1 . 2]" 1
263 1 48 LYS H 1 48 LYS QG . . 4.260 3.429 2.093 4.207 . 0 0 "[ . 1 . 2]" 1
264 1 49 SER H 1 49 SER HB3 . . 3.880 3.326 2.336 3.907 0.027 7 0 "[ . 1 . 2]" 1
265 1 49 SER HA 1 50 HIS H . . 3.210 2.516 2.140 3.225 0.015 5 0 "[ . 1 . 2]" 1
266 1 49 SER HB3 1 50 HIS H . . 4.560 3.496 2.120 4.658 0.098 4 0 "[ . 1 . 2]" 1
267 1 50 HIS H 1 50 HIS HB3 . . 4.030 3.363 2.761 4.044 0.014 1 0 "[ . 1 . 2]" 1
268 1 50 HIS H 1 51 LYS H . . 4.170 3.278 2.045 4.318 0.148 2 0 "[ . 1 . 2]" 1
269 1 50 HIS HA 1 51 LYS H . . 3.610 2.828 2.144 3.570 . 0 0 "[ . 1 . 2]" 1
270 1 51 LYS H 1 51 LYS QG . . 4.960 3.636 2.379 4.278 . 0 0 "[ . 1 . 2]" 1
271 1 51 LYS H 1 52 ILE H . . 3.680 2.931 1.917 3.670 . 0 0 "[ . 1 . 2]" 1
272 1 51 LYS HA 1 52 ILE H . . 3.350 2.785 2.191 3.554 0.204 9 0 "[ . 1 . 2]" 1
273 1 52 ILE H 1 52 ILE HB . . 4.340 3.353 2.604 3.911 . 0 0 "[ . 1 . 2]" 1
274 1 52 ILE H 1 52 ILE MG . . 4.200 3.081 1.957 3.979 . 0 0 "[ . 1 . 2]" 1
275 1 52 ILE H 1 54 GLU HB2 . . 5.100 4.754 3.419 5.104 0.004 18 0 "[ . 1 . 2]" 1
276 1 52 ILE HA 1 53 ALA H . . 3.370 2.756 2.141 3.513 0.143 4 0 "[ . 1 . 2]" 1
277 1 52 ILE QG 1 53 ALA H . . 5.210 3.765 2.335 4.842 . 0 0 "[ . 1 . 2]" 1
278 1 53 ALA MB 1 55 LYS H . . 4.710 3.855 2.484 4.678 . 0 0 "[ . 1 . 2]" 1
279 1 54 GLU H 1 54 GLU HG2 . . 4.600 4.234 2.993 4.947 0.347 16 0 "[ . 1 . 2]" 1
280 1 54 GLU H 1 54 GLU HG3 . . 4.960 4.502 3.877 4.891 . 0 0 "[ . 1 . 2]" 1
281 1 55 LYS H 1 55 LYS HG2 . . 4.760 3.106 1.955 4.198 . 0 0 "[ . 1 . 2]" 1
282 1 55 LYS H 1 55 LYS HG3 . . 4.140 3.221 1.977 4.716 0.576 6 3 "[* -+ 1 . 2]" 1
283 1 55 LYS HA 1 56 ILE H . . 3.820 2.470 2.160 3.456 . 0 0 "[ . 1 . 2]" 1
284 1 57 ILE H 1 57 ILE HB . . 4.210 3.090 2.514 3.849 . 0 0 "[ . 1 . 2]" 1
285 1 57 ILE H 1 57 ILE MD . . 5.280 3.576 2.159 4.860 . 0 0 "[ . 1 . 2]" 1
286 1 57 ILE H 1 57 ILE HG12 . . 4.540 3.610 2.183 4.773 0.233 9 0 "[ . 1 . 2]" 1
287 1 57 ILE HA 1 58 ASP H . . 3.610 2.728 2.139 3.569 . 0 0 "[ . 1 . 2]" 1
288 1 58 ASP HA 1 59 LYS H . . 4.470 2.391 2.138 3.552 . 0 0 "[ . 1 . 2]" 1
289 1 59 LYS H 1 59 LYS QE . . 5.500 4.750 3.485 5.498 . 0 0 "[ . 1 . 2]" 1
290 1 59 LYS H 1 59 LYS HG2 . . 5.390 3.902 2.114 5.086 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 9:46:51 AM GMT (wattos1)