NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
548489 |
2lj7   |
17923 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lj7
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 367
_Distance_constraint_stats_list.Viol_count 1866
_Distance_constraint_stats_list.Viol_total 2971.749
_Distance_constraint_stats_list.Viol_max 0.528
_Distance_constraint_stats_list.Viol_rms 0.0494
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0202
_Distance_constraint_stats_list.Viol_average_violations_only 0.0796
_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 3.260 0.180 15 0 "[ . 1 . 2]"
1 2 THR 9.629 0.188 11 0 "[ . 1 . 2]"
1 3 CYS 8.421 0.139 20 0 "[ . 1 . 2]"
1 4 GLU 17.827 0.241 20 0 "[ . 1 . 2]"
1 5 ASN 7.557 0.221 18 0 "[ . 1 . 2]"
1 6 LEU 12.891 0.265 16 0 "[ . 1 . 2]"
1 7 SER 5.373 0.481 16 0 "[ . 1 . 2]"
1 8 ASP 6.102 0.528 16 1 "[ . 1 .+ 2]"
1 9 SER 3.406 0.528 16 1 "[ . 1 .+ 2]"
1 10 PHE 4.051 0.175 9 0 "[ . 1 . 2]"
1 11 LYS 2.839 0.238 19 0 "[ . 1 . 2]"
1 12 GLY 1.961 0.286 18 0 "[ . 1 . 2]"
1 13 PRO 1.296 0.286 18 0 "[ . 1 . 2]"
1 15 ILE 2.480 0.213 14 0 "[ . 1 . 2]"
1 16 PRO 2.480 0.213 14 0 "[ . 1 . 2]"
1 18 GLY 1.831 0.234 18 0 "[ . 1 . 2]"
1 20 CYS 0.153 0.074 20 0 "[ . 1 . 2]"
1 21 ASN 7.755 0.403 20 0 "[ . 1 . 2]"
1 22 LYS 7.955 0.240 17 0 "[ . 1 . 2]"
1 23 HIS 6.897 0.233 17 0 "[ . 1 . 2]"
1 24 CYS 7.884 0.233 17 0 "[ . 1 . 2]"
1 25 LYS 10.592 0.299 17 0 "[ . 1 . 2]"
1 26 GLU 4.274 0.216 17 0 "[ . 1 . 2]"
1 27 LYS 7.617 0.201 20 0 "[ . 1 . 2]"
1 28 GLU 6.473 0.201 20 0 "[ . 1 . 2]"
1 29 HIS 0.327 0.032 1 0 "[ . 1 . 2]"
1 30 LEU 2.017 0.169 18 0 "[ . 1 . 2]"
1 31 LEU 7.396 0.341 15 0 "[ . 1 . 2]"
1 32 SER 0.984 0.096 11 0 "[ . 1 . 2]"
1 33 GLY 1.819 0.261 11 0 "[ . 1 . 2]"
1 34 ARG 2.300 0.127 12 0 "[ . 1 . 2]"
1 35 CYS 1.156 0.146 15 0 "[ . 1 . 2]"
1 36 ARG 6.419 0.446 15 0 "[ . 1 . 2]"
1 37 ASP 8.475 0.472 8 0 "[ . 1 . 2]"
1 38 ASP 3.279 0.472 8 0 "[ . 1 . 2]"
1 39 PHE 2.660 0.238 19 0 "[ . 1 . 2]"
1 40 ARG 11.649 0.265 16 0 "[ . 1 . 2]"
1 41 CYS 2.621 0.186 16 0 "[ . 1 . 2]"
1 42 TRP 15.252 0.481 16 0 "[ . 1 . 2]"
1 43 CYS 5.049 0.196 18 0 "[ . 1 . 2]"
1 44 THR 8.749 0.241 20 0 "[ . 1 . 2]"
1 45 ARG 13.425 0.359 9 0 "[ . 1 . 2]"
1 46 ASN 7.640 0.341 15 0 "[ . 1 . 2]"
1 47 CYS 4.358 0.100 18 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 . . 3.000 2.921 2.904 2.930 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS HA 1 2 THR MG . . 3.640 3.803 3.786 3.820 0.180 15 0 "[ . 1 . 2]" 1
3 1 1 LYS QB 1 47 CYS H . . 3.740 3.379 3.324 3.446 . 0 0 "[ . 1 . 2]" 1
4 1 1 LYS QE 1 1 LYS QG . . 2.850 2.097 1.965 2.235 . 0 0 "[ . 1 . 2]" 1
5 1 1 LYS QG 1 2 THR H . . 3.360 2.038 2.010 2.071 . 0 0 "[ . 1 . 2]" 1
6 1 1 LYS QG 1 47 CYS H . . 4.030 3.951 3.941 3.962 . 0 0 "[ . 1 . 2]" 1
7 1 2 THR H 1 2 THR MG . . 3.300 3.328 3.315 3.339 0.039 15 0 "[ . 1 . 2]" 1
8 1 2 THR HA 1 2 THR MG . . 2.580 2.287 2.274 2.295 . 0 0 "[ . 1 . 2]" 1
9 1 2 THR HA 1 3 CYS H . . 2.420 2.275 2.270 2.279 . 0 0 "[ . 1 . 2]" 1
10 1 2 THR HA 1 44 THR MG . . 3.820 3.890 3.874 3.917 0.097 10 0 "[ . 1 . 2]" 1
11 1 2 THR HA 1 46 ASN HA . . 2.660 2.429 2.390 2.484 . 0 0 "[ . 1 . 2]" 1
12 1 2 THR HA 1 47 CYS H . . 2.880 2.464 2.404 2.499 . 0 0 "[ . 1 . 2]" 1
13 1 2 THR HB 1 3 CYS H . . 2.730 2.746 2.732 2.766 0.036 9 0 "[ . 1 . 2]" 1
14 1 2 THR HB 1 31 LEU QD . . 3.720 3.255 3.152 3.402 . 0 0 "[ . 1 . 2]" 1
15 1 2 THR HB 1 44 THR MG . . 2.400 1.923 1.893 1.967 . 0 0 "[ . 1 . 2]" 1
16 1 2 THR HB 1 46 ASN HA . . 4.090 4.091 4.021 4.138 0.048 18 0 "[ . 1 . 2]" 1
17 1 2 THR MG 1 3 CYS H . . 3.480 3.501 3.488 3.522 0.042 18 0 "[ . 1 . 2]" 1
18 1 2 THR MG 1 31 LEU QD . . 2.500 1.781 1.762 1.868 . 0 0 "[ . 1 . 2]" 1
19 1 2 THR MG 1 45 ARG H . . 3.810 3.979 3.965 3.998 0.188 11 0 "[ . 1 . 2]" 1
20 1 2 THR MG 1 46 ASN HA . . 3.020 2.260 2.130 2.317 . 0 0 "[ . 1 . 2]" 1
21 1 2 THR MG 1 47 CYS H . . 3.720 3.484 3.430 3.525 . 0 0 "[ . 1 . 2]" 1
22 1 3 CYS H 1 3 CYS HB2 . . 3.020 2.535 2.493 2.595 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS H 1 3 CYS HB3 . . 3.650 3.709 3.679 3.750 0.100 18 0 "[ . 1 . 2]" 1
24 1 3 CYS H 1 44 THR MG . . 3.240 3.249 3.220 3.270 0.030 16 0 "[ . 1 . 2]" 1
25 1 3 CYS H 1 45 ARG H . . 3.040 2.745 2.689 2.780 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS H 1 45 ARG QG . . 3.480 3.094 3.039 3.129 . 0 0 "[ . 1 . 2]" 1
27 1 3 CYS H 1 47 CYS HB3 . . 4.060 3.318 3.253 3.354 . 0 0 "[ . 1 . 2]" 1
28 1 3 CYS HA 1 3 CYS HB2 . . 3.000 3.014 3.009 3.020 0.020 18 0 "[ . 1 . 2]" 1
29 1 3 CYS HA 1 3 CYS HB3 . . 2.780 2.561 2.533 2.580 . 0 0 "[ . 1 . 2]" 1
30 1 3 CYS HA 1 4 GLU H . . 2.520 2.365 2.340 2.392 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS HA 1 4 GLU HA . . 4.280 4.412 4.395 4.419 0.139 20 0 "[ . 1 . 2]" 1
32 1 3 CYS HA 1 47 CYS HB3 . . 6.000 4.861 4.802 4.922 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS HB2 1 4 GLU H . . 3.720 3.819 3.797 3.846 0.126 3 0 "[ . 1 . 2]" 1
34 1 3 CYS HB2 1 45 ARG QG . . 3.260 2.906 2.810 2.976 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS HB2 1 47 CYS HB2 . . 3.600 3.668 3.656 3.685 0.085 18 0 "[ . 1 . 2]" 1
36 1 3 CYS HB2 1 47 CYS HB3 . . 2.840 2.601 2.566 2.671 . 0 0 "[ . 1 . 2]" 1
37 1 3 CYS HB3 1 4 GLU H . . 3.300 2.530 2.471 2.593 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLU H 1 4 GLU HB2 . . 3.210 2.714 2.648 2.742 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLU H 1 4 GLU HB3 . . 3.190 2.929 2.899 2.943 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLU HA 1 4 GLU HB2 . . 2.780 2.652 2.652 2.653 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLU HA 1 4 GLU HG2 . . 3.450 3.554 3.516 3.621 0.171 18 0 "[ . 1 . 2]" 1
42 1 4 GLU HA 1 4 GLU HG3 . . 2.990 2.272 2.212 2.401 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLU HA 1 5 ASN H . . 2.470 2.179 2.165 2.210 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLU HA 1 44 THR HA . . 2.430 2.619 2.579 2.671 0.241 20 0 "[ . 1 . 2]" 1
45 1 4 GLU HA 1 44 THR MG . . 4.070 4.059 4.010 4.101 0.031 18 0 "[ . 1 . 2]" 1
46 1 4 GLU HA 1 45 ARG H . . 3.720 3.768 3.703 3.805 0.085 3 0 "[ . 1 . 2]" 1
47 1 4 GLU HB2 1 42 TRP HE3 . . 3.740 3.765 3.761 3.770 0.030 16 0 "[ . 1 . 2]" 1
48 1 4 GLU HB3 1 5 ASN H . . 3.810 3.802 3.694 3.856 0.046 7 0 "[ . 1 . 2]" 1
49 1 4 GLU HG2 1 5 ASN H . . 3.930 3.949 3.884 3.981 0.051 18 0 "[ . 1 . 2]" 1
50 1 4 GLU HG2 1 42 TRP HB2 . . 3.090 3.219 3.152 3.329 0.239 20 0 "[ . 1 . 2]" 1
51 1 4 GLU HG2 1 42 TRP HZ3 . . 4.250 4.147 4.041 4.283 0.033 13 0 "[ . 1 . 2]" 1
52 1 4 GLU HG3 1 5 ASN H . . 3.820 2.528 2.353 2.621 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLU HG3 1 42 TRP HB2 . . 3.540 3.650 3.597 3.720 0.180 20 0 "[ . 1 . 2]" 1
54 1 4 GLU HG3 1 42 TRP HE3 . . 3.150 2.345 2.119 2.447 . 0 0 "[ . 1 . 2]" 1
55 1 5 ASN H 1 5 ASN HB2 . . 3.950 3.887 3.807 3.922 . 0 0 "[ . 1 . 2]" 1
56 1 5 ASN H 1 5 ASN HB3 . . 3.180 3.273 3.212 3.313 0.133 20 0 "[ . 1 . 2]" 1
57 1 5 ASN H 1 42 TRP HE3 . . 3.480 2.927 2.838 2.961 . 0 0 "[ . 1 . 2]" 1
58 1 5 ASN HA 1 5 ASN HB2 . . 2.830 2.450 2.419 2.503 . 0 0 "[ . 1 . 2]" 1
59 1 5 ASN HA 1 5 ASN HD21 . . 4.380 4.145 3.857 4.350 . 0 0 "[ . 1 . 2]" 1
60 1 5 ASN HA 1 6 LEU H . . 2.550 2.281 2.239 2.312 . 0 0 "[ . 1 . 2]" 1
61 1 5 ASN HA 1 42 TRP HE3 . . 3.030 3.097 3.030 3.251 0.221 18 0 "[ . 1 . 2]" 1
62 1 5 ASN HA 1 42 TRP HZ3 . . 2.650 2.712 2.685 2.772 0.122 16 0 "[ . 1 . 2]" 1
63 1 5 ASN HB2 1 6 LEU H . . 2.870 2.762 2.688 2.883 0.013 18 0 "[ . 1 . 2]" 1
64 1 5 ASN HB3 1 6 LEU H . . 3.850 3.961 3.933 4.010 0.160 13 0 "[ . 1 . 2]" 1
65 1 6 LEU H 1 6 LEU HB2 . . 2.690 2.262 2.158 2.325 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU H 1 6 LEU HB3 . . 3.550 3.533 3.476 3.560 0.010 1 0 "[ . 1 . 2]" 1
67 1 6 LEU H 1 6 LEU MD1 . . 3.710 3.806 3.730 3.884 0.174 20 0 "[ . 1 . 2]" 1
68 1 6 LEU H 1 6 LEU MD2 . . 3.950 3.643 3.540 3.839 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU H 1 6 LEU HG . . 2.940 2.726 2.570 2.992 0.052 16 0 "[ . 1 . 2]" 1
70 1 6 LEU HA 1 6 LEU HB3 . . 2.940 2.591 2.550 2.670 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU HA 1 6 LEU MD1 . . 3.760 3.816 3.797 3.839 0.079 1 0 "[ . 1 . 2]" 1
72 1 6 LEU HA 1 6 LEU MD2 . . 2.760 2.020 1.942 2.073 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU HA 1 6 LEU HG . . 3.600 2.950 2.822 3.003 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU HA 1 7 SER H . . 2.540 2.180 2.150 2.357 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU HA 1 42 TRP HA . . 3.190 2.597 2.473 2.727 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU HB2 1 6 LEU MD1 . . 2.860 2.297 2.233 2.415 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU HB3 1 6 LEU MD1 . . 2.970 2.329 2.247 2.405 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU HB3 1 6 LEU MD2 . . 2.940 2.333 2.303 2.364 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU HB3 1 7 SER H . . 3.620 3.159 2.614 3.338 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU MD1 1 40 ARG HB2 . . 4.220 4.304 4.196 4.405 0.185 20 0 "[ . 1 . 2]" 1
81 1 6 LEU MD1 1 40 ARG HB3 . . 3.230 3.298 3.181 3.426 0.196 16 0 "[ . 1 . 2]" 1
82 1 6 LEU MD1 1 40 ARG HD3 . . 4.780 3.324 2.820 3.626 . 0 0 "[ . 1 . 2]" 1
83 1 6 LEU MD1 1 40 ARG HE . . 4.390 3.142 2.827 3.540 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU MD1 1 42 TRP HH2 . . 4.340 4.232 3.763 4.424 0.084 5 0 "[ . 1 . 2]" 1
85 1 6 LEU MD1 1 42 TRP HZ2 . . 3.750 3.391 2.910 3.598 . 0 0 "[ . 1 . 2]" 1
86 1 6 LEU MD2 1 40 ARG HB2 . . 3.270 2.949 2.767 3.095 . 0 0 "[ . 1 . 2]" 1
87 1 6 LEU MD2 1 40 ARG HB3 . . 2.830 1.927 1.818 2.068 . 0 0 "[ . 1 . 2]" 1
88 1 6 LEU MD2 1 40 ARG HD2 . . 4.160 2.306 1.904 2.560 . 0 0 "[ . 1 . 2]" 1
89 1 6 LEU MD2 1 40 ARG HE . . 3.980 4.059 3.980 4.245 0.265 16 0 "[ . 1 . 2]" 1
90 1 6 LEU MD2 1 40 ARG QG . . 3.850 3.487 3.303 3.657 . 0 0 "[ . 1 . 2]" 1
91 1 6 LEU MD2 1 42 TRP HH2 . . 4.310 4.420 4.370 4.531 0.221 16 0 "[ . 1 . 2]" 1
92 1 6 LEU MD2 1 42 TRP HZ2 . . 3.490 3.062 2.976 3.136 . 0 0 "[ . 1 . 2]" 1
93 1 6 LEU HG 1 42 TRP HH2 . . 4.400 3.635 3.248 3.821 . 0 0 "[ . 1 . 2]" 1
94 1 6 LEU HG 1 42 TRP HZ2 . . 5.070 3.148 2.838 3.371 . 0 0 "[ . 1 . 2]" 1
95 1 7 SER H 1 7 SER HB2 . . 2.820 2.413 2.215 3.023 0.203 16 0 "[ . 1 . 2]" 1
96 1 7 SER H 1 7 SER HB3 . . 2.990 2.770 2.605 3.149 0.159 16 0 "[ . 1 . 2]" 1
97 1 7 SER H 1 42 TRP HA . . 3.090 3.220 3.134 3.571 0.481 16 0 "[ . 1 . 2]" 1
98 1 7 SER HA 1 8 ASP H . . 2.480 2.451 2.138 2.656 0.176 6 0 "[ . 1 . 2]" 1
99 1 7 SER HB3 1 8 ASP H . . 3.810 3.342 2.802 4.012 0.202 16 0 "[ . 1 . 2]" 1
100 1 8 ASP H 1 8 ASP HB3 . . 2.900 2.955 2.869 3.100 0.200 16 0 "[ . 1 . 2]" 1
101 1 8 ASP H 1 9 SER H . . 2.740 2.605 2.152 2.817 0.077 5 0 "[ . 1 . 2]" 1
102 1 8 ASP HA 1 9 SER H . . 3.560 3.515 3.211 3.571 0.011 3 0 "[ . 1 . 2]" 1
103 1 8 ASP HB2 1 9 SER H . . 3.650 3.231 2.851 4.178 0.528 16 1 "[ . 1 .+ 2]" 1
104 1 8 ASP HB3 1 9 SER H . . 4.400 3.933 3.740 4.535 0.135 16 0 "[ . 1 . 2]" 1
105 1 9 SER H 1 9 SER HB2 . . 3.960 3.883 3.607 4.004 0.044 4 0 "[ . 1 . 2]" 1
106 1 9 SER H 1 9 SER HB3 . . 3.280 3.091 2.404 3.337 0.057 5 0 "[ . 1 . 2]" 1
107 1 9 SER H 1 10 PHE H . . 2.730 2.481 2.242 2.709 . 0 0 "[ . 1 . 2]" 1
108 1 9 SER HA 1 9 SER HB2 . . 2.420 2.401 2.326 2.464 0.044 18 0 "[ . 1 . 2]" 1
109 1 9 SER HA 1 9 SER HB3 . . 2.650 2.523 2.456 2.621 . 0 0 "[ . 1 . 2]" 1
110 1 10 PHE H 1 10 PHE HB2 . . 3.170 2.663 2.427 2.860 . 0 0 "[ . 1 . 2]" 1
111 1 10 PHE H 1 10 PHE HB3 . . 3.130 2.525 2.324 2.784 . 0 0 "[ . 1 . 2]" 1
112 1 10 PHE HA 1 10 PHE QD . . 3.080 2.973 2.463 3.130 0.050 7 0 "[ . 1 . 2]" 1
113 1 10 PHE HA 1 11 LYS H . . 2.980 2.155 2.138 2.212 . 0 0 "[ . 1 . 2]" 1
114 1 10 PHE QD 1 11 LYS H . . 4.020 3.613 2.829 4.022 0.002 11 0 "[ . 1 . 2]" 1
115 1 10 PHE QD 1 20 CYS HA . . 3.770 3.552 2.903 3.844 0.074 20 0 "[ . 1 . 2]" 1
116 1 10 PHE QD 1 23 HIS HB2 . . 3.130 3.133 2.808 3.250 0.120 13 0 "[ . 1 . 2]" 1
117 1 10 PHE QD 1 23 HIS HB3 . . 2.910 2.934 2.514 3.085 0.175 9 0 "[ . 1 . 2]" 1
118 1 10 PHE QD 1 41 CYS HB2 . . 3.510 2.389 1.942 3.076 . 0 0 "[ . 1 . 2]" 1
119 1 10 PHE QD 1 41 CYS HB3 . . 4.170 3.097 2.700 3.513 . 0 0 "[ . 1 . 2]" 1
120 1 10 PHE QE 1 20 CYS HA . . 2.650 2.422 1.971 2.667 0.017 7 0 "[ . 1 . 2]" 1
121 1 10 PHE QE 1 23 HIS HB2 . . 3.990 2.799 2.433 3.014 . 0 0 "[ . 1 . 2]" 1
122 1 10 PHE QE 1 23 HIS HB3 . . 3.760 3.684 3.258 3.840 0.080 15 0 "[ . 1 . 2]" 1
123 1 10 PHE QE 1 35 CYS HB3 . . 3.000 3.028 2.597 3.146 0.146 15 0 "[ . 1 . 2]" 1
124 1 11 LYS H 1 11 LYS QD . . 3.490 3.044 2.798 3.542 0.052 10 0 "[ . 1 . 2]" 1
125 1 11 LYS HA 1 11 LYS HB3 . . 2.970 2.659 2.314 2.715 . 0 0 "[ . 1 . 2]" 1
126 1 11 LYS HA 1 11 LYS HG3 . . 4.130 2.532 2.124 3.918 . 0 0 "[ . 1 . 2]" 1
127 1 11 LYS HA 1 12 GLY H . . 2.810 2.674 2.253 3.003 0.193 3 0 "[ . 1 . 2]" 1
128 1 11 LYS HG3 1 39 PHE QE . . 3.970 4.076 4.010 4.208 0.238 19 0 "[ . 1 . 2]" 1
129 1 12 GLY HA2 1 13 PRO HD2 . . 2.500 2.528 2.262 2.786 0.286 18 0 "[ . 1 . 2]" 1
130 1 12 GLY HA2 1 13 PRO HD3 . . 2.530 2.363 2.260 2.526 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLY HA3 1 13 PRO HD2 . . 2.640 2.500 2.258 2.780 0.140 6 0 "[ . 1 . 2]" 1
132 1 15 ILE HA 1 15 ILE MG . . 3.040 2.157 1.971 2.277 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE HA 1 16 PRO HD3 . . 2.860 2.339 2.323 2.374 . 0 0 "[ . 1 . 2]" 1
134 1 15 ILE HB 1 15 ILE MD . . 2.660 2.243 2.074 2.425 . 0 0 "[ . 1 . 2]" 1
135 1 15 ILE HB 1 16 PRO HD2 . . 2.540 1.888 1.807 1.932 . 0 0 "[ . 1 . 2]" 1
136 1 15 ILE HB 1 16 PRO HD3 . . 3.250 3.351 3.280 3.387 0.137 16 0 "[ . 1 . 2]" 1
137 1 15 ILE MG 1 16 PRO HD2 . . 3.610 2.592 2.349 2.909 . 0 0 "[ . 1 . 2]" 1
138 1 15 ILE MG 1 16 PRO HD3 . . 3.410 3.346 3.106 3.623 0.213 14 0 "[ . 1 . 2]" 1
139 1 18 GLY HA3 1 21 ASN H . . 3.970 4.015 3.617 4.204 0.234 18 0 "[ . 1 . 2]" 1
140 1 20 CYS HA 1 23 HIS HB2 . . 3.590 2.884 2.635 3.598 0.008 17 0 "[ . 1 . 2]" 1
141 1 21 ASN H 1 21 ASN HB2 . . 3.610 2.924 2.501 3.606 . 0 0 "[ . 1 . 2]" 1
142 1 21 ASN H 1 21 ASN HB3 . . 3.590 2.580 2.343 3.598 0.008 11 0 "[ . 1 . 2]" 1
143 1 21 ASN HA 1 21 ASN HB2 . . 2.860 2.485 2.326 3.023 0.163 11 0 "[ . 1 . 2]" 1
144 1 21 ASN HA 1 21 ASN HB3 . . 3.000 2.826 2.330 3.027 0.027 3 0 "[ . 1 . 2]" 1
145 1 21 ASN HB2 1 21 ASN HD21 . . 3.510 2.904 2.134 3.365 . 0 0 "[ . 1 . 2]" 1
146 1 21 ASN HB2 1 21 ASN HD22 . . 3.800 3.778 3.441 3.999 0.199 15 0 "[ . 1 . 2]" 1
147 1 21 ASN HB2 1 33 GLY H . . 3.470 3.556 3.489 3.731 0.261 11 0 "[ . 1 . 2]" 1
148 1 21 ASN HB3 1 21 ASN HD21 . . 3.020 2.324 2.117 3.116 0.096 20 0 "[ . 1 . 2]" 1
149 1 21 ASN HB3 1 21 ASN HD22 . . 3.470 3.522 3.435 3.873 0.403 20 0 "[ . 1 . 2]" 1
150 1 21 ASN HB3 1 22 LYS H . . 3.610 2.701 1.949 3.801 0.191 9 0 "[ . 1 . 2]" 1
151 1 21 ASN HD21 1 25 LYS HD2 . . 4.290 4.132 3.474 4.535 0.245 17 0 "[ . 1 . 2]" 1
152 1 22 LYS H 1 22 LYS HB2 . . 3.570 3.583 3.562 3.598 0.028 20 0 "[ . 1 . 2]" 1
153 1 22 LYS H 1 22 LYS HB3 . . 3.450 2.498 2.338 2.707 . 0 0 "[ . 1 . 2]" 1
154 1 22 LYS HA 1 22 LYS HB2 . . 2.870 2.441 2.363 2.527 . 0 0 "[ . 1 . 2]" 1
155 1 22 LYS HA 1 22 LYS HB3 . . 2.610 2.460 2.377 2.545 . 0 0 "[ . 1 . 2]" 1
156 1 22 LYS HA 1 25 LYS H . . 3.450 3.571 3.523 3.690 0.240 17 0 "[ . 1 . 2]" 1
157 1 22 LYS HA 1 25 LYS QB . . 3.130 2.249 2.135 2.609 . 0 0 "[ . 1 . 2]" 1
158 1 22 LYS HA 1 25 LYS QD . . 3.200 3.233 2.867 3.335 0.135 15 0 "[ . 1 . 2]" 1
159 1 22 LYS HA 1 26 GLU H . . 3.880 4.044 3.971 4.096 0.216 17 0 "[ . 1 . 2]" 1
160 1 22 LYS HA 1 26 GLU QG . . 3.950 3.379 3.198 3.473 . 0 0 "[ . 1 . 2]" 1
161 1 23 HIS H 1 23 HIS HB2 . . 3.830 2.219 2.204 2.232 . 0 0 "[ . 1 . 2]" 1
162 1 23 HIS H 1 23 HIS HB3 . . 3.780 2.907 2.894 2.923 . 0 0 "[ . 1 . 2]" 1
163 1 23 HIS H 1 24 CYS H . . 3.580 2.875 2.722 2.967 . 0 0 "[ . 1 . 2]" 1
164 1 23 HIS HA 1 25 LYS H . . 3.970 3.954 3.902 4.073 0.103 20 0 "[ . 1 . 2]" 1
165 1 23 HIS HA 1 27 LYS HG3 . . 3.190 3.246 3.161 3.297 0.107 4 0 "[ . 1 . 2]" 1
166 1 23 HIS HB2 1 24 CYS H . . 3.150 3.299 3.252 3.383 0.233 17 0 "[ . 1 . 2]" 1
167 1 23 HIS HB3 1 24 CYS H . . 3.730 2.090 1.951 2.307 . 0 0 "[ . 1 . 2]" 1
168 1 24 CYS H 1 24 CYS HB2 . . 3.120 2.336 2.185 2.543 . 0 0 "[ . 1 . 2]" 1
169 1 24 CYS H 1 24 CYS HB3 . . 3.500 3.553 3.494 3.590 0.090 17 0 "[ . 1 . 2]" 1
170 1 24 CYS H 1 25 LYS H . . 3.240 2.630 2.600 2.651 . 0 0 "[ . 1 . 2]" 1
171 1 24 CYS HA 1 24 CYS HB3 . . 2.810 2.576 2.460 2.674 . 0 0 "[ . 1 . 2]" 1
172 1 24 CYS HA 1 28 GLU H . . 3.500 2.783 2.544 2.918 . 0 0 "[ . 1 . 2]" 1
173 1 24 CYS HB2 1 25 LYS H . . 3.250 3.212 2.987 3.355 0.105 4 0 "[ . 1 . 2]" 1
174 1 24 CYS HB2 1 30 LEU HB2 . . 3.850 3.784 3.264 3.928 0.078 15 0 "[ . 1 . 2]" 1
175 1 24 CYS HB3 1 25 LYS H . . 3.810 3.915 3.780 4.009 0.199 7 0 "[ . 1 . 2]" 1
176 1 24 CYS HB3 1 30 LEU HB2 . . 3.230 2.580 2.316 2.753 . 0 0 "[ . 1 . 2]" 1
177 1 24 CYS HB3 1 43 CYS HA . . 4.410 4.307 3.950 4.606 0.196 18 0 "[ . 1 . 2]" 1
178 1 24 CYS HB3 1 43 CYS HB3 . . 3.000 2.480 2.271 2.659 . 0 0 "[ . 1 . 2]" 1
179 1 25 LYS H 1 25 LYS QB . . 2.880 2.274 2.242 2.335 . 0 0 "[ . 1 . 2]" 1
180 1 25 LYS H 1 25 LYS HG2 . . 3.670 3.844 3.762 3.969 0.299 17 0 "[ . 1 . 2]" 1
181 1 25 LYS H 1 25 LYS HG3 . . 3.100 2.952 2.719 3.074 . 0 0 "[ . 1 . 2]" 1
182 1 25 LYS H 1 26 GLU H . . 2.970 2.248 2.198 2.292 . 0 0 "[ . 1 . 2]" 1
183 1 25 LYS HA 1 25 LYS QB . . 2.780 2.446 2.413 2.463 . 0 0 "[ . 1 . 2]" 1
184 1 25 LYS HA 1 25 LYS HG2 . . 2.840 2.334 2.254 2.621 . 0 0 "[ . 1 . 2]" 1
185 1 25 LYS HA 1 25 LYS HG3 . . 3.340 3.062 2.824 3.132 . 0 0 "[ . 1 . 2]" 1
186 1 25 LYS HA 1 30 LEU H . . 2.910 2.403 2.183 2.503 . 0 0 "[ . 1 . 2]" 1
187 1 25 LYS QB 1 26 GLU H . . 3.270 2.952 2.919 2.991 . 0 0 "[ . 1 . 2]" 1
188 1 25 LYS QE 1 32 SER HA . . 4.740 4.549 3.767 4.783 0.043 15 0 "[ . 1 . 2]" 1
189 1 25 LYS HG2 1 32 SER HA . . 4.640 3.974 3.460 4.370 . 0 0 "[ . 1 . 2]" 1
190 1 25 LYS HG3 1 32 SER HA . . 3.300 3.051 2.532 3.378 0.078 15 0 "[ . 1 . 2]" 1
191 1 26 GLU H 1 26 GLU QB . . 3.110 2.287 2.253 2.316 . 0 0 "[ . 1 . 2]" 1
192 1 26 GLU H 1 26 GLU QG . . 3.160 2.931 2.870 2.961 . 0 0 "[ . 1 . 2]" 1
193 1 26 GLU H 1 27 LYS H . . 3.020 2.180 2.152 2.258 . 0 0 "[ . 1 . 2]" 1
194 1 26 GLU HA 1 26 GLU QB . . 2.400 2.449 2.436 2.458 0.058 17 0 "[ . 1 . 2]" 1
195 1 26 GLU HA 1 26 GLU QG . . 2.400 2.307 2.300 2.315 . 0 0 "[ . 1 . 2]" 1
196 1 26 GLU QB 1 26 GLU QG . . 2.490 2.086 2.085 2.087 . 0 0 "[ . 1 . 2]" 1
197 1 27 LYS H 1 28 GLU H . . 2.650 2.664 2.513 2.721 0.071 13 0 "[ . 1 . 2]" 1
198 1 27 LYS H 1 29 HIS H . . 3.630 2.848 2.781 2.876 . 0 0 "[ . 1 . 2]" 1
199 1 27 LYS HA 1 27 LYS HG2 . . 3.270 2.452 2.421 2.492 . 0 0 "[ . 1 . 2]" 1
200 1 27 LYS HB3 1 28 GLU H . . 3.500 3.027 2.929 3.219 . 0 0 "[ . 1 . 2]" 1
201 1 27 LYS HG2 1 28 GLU H . . 4.370 4.504 4.483 4.517 0.147 11 0 "[ . 1 . 2]" 1
202 1 27 LYS HG3 1 28 GLU H . . 3.790 3.947 3.891 3.991 0.201 20 0 "[ . 1 . 2]" 1
203 1 28 GLU H 1 28 GLU QB . . 3.300 2.192 2.171 2.226 . 0 0 "[ . 1 . 2]" 1
204 1 28 GLU H 1 28 GLU QG . . 3.140 3.034 2.922 3.119 . 0 0 "[ . 1 . 2]" 1
205 1 28 GLU H 1 29 HIS H . . 2.710 2.434 2.395 2.517 . 0 0 "[ . 1 . 2]" 1
206 1 28 GLU HA 1 28 GLU QB . . 2.800 2.480 2.462 2.492 . 0 0 "[ . 1 . 2]" 1
207 1 28 GLU HA 1 28 GLU QG . . 2.590 2.310 2.115 2.503 . 0 0 "[ . 1 . 2]" 1
208 1 28 GLU HA 1 29 HIS H . . 3.510 3.310 3.235 3.349 . 0 0 "[ . 1 . 2]" 1
209 1 28 GLU QB 1 29 HIS H . . 3.820 3.301 3.228 3.431 . 0 0 "[ . 1 . 2]" 1
210 1 28 GLU QB 1 30 LEU H . . 3.720 3.296 3.231 3.328 . 0 0 "[ . 1 . 2]" 1
211 1 28 GLU QB 1 30 LEU MD1 . . 2.930 2.600 2.563 2.629 . 0 0 "[ . 1 . 2]" 1
212 1 28 GLU QB 1 30 LEU HG . . 2.420 1.878 1.852 1.921 . 0 0 "[ . 1 . 2]" 1
213 1 29 HIS H 1 29 HIS HA . . 2.470 2.281 2.278 2.288 . 0 0 "[ . 1 . 2]" 1
214 1 29 HIS H 1 30 LEU H . . 2.960 2.873 2.827 2.934 . 0 0 "[ . 1 . 2]" 1
215 1 29 HIS HA 1 29 HIS HB2 . . 2.990 3.006 2.998 3.022 0.032 1 0 "[ . 1 . 2]" 1
216 1 29 HIS HA 1 29 HIS HB3 . . 2.620 2.566 2.385 2.617 . 0 0 "[ . 1 . 2]" 1
217 1 29 HIS HA 1 30 LEU H . . 3.100 2.718 2.694 2.745 . 0 0 "[ . 1 . 2]" 1
218 1 30 LEU H 1 30 LEU HB2 . . 2.940 2.507 2.480 2.549 . 0 0 "[ . 1 . 2]" 1
219 1 30 LEU H 1 30 LEU HB3 . . 3.770 3.636 3.622 3.652 . 0 0 "[ . 1 . 2]" 1
220 1 30 LEU H 1 30 LEU MD2 . . 3.340 3.245 3.217 3.282 . 0 0 "[ . 1 . 2]" 1
221 1 30 LEU H 1 30 LEU HG . . 3.030 2.485 2.343 2.539 . 0 0 "[ . 1 . 2]" 1
222 1 30 LEU HA 1 30 LEU HB3 . . 2.690 2.432 2.410 2.447 . 0 0 "[ . 1 . 2]" 1
223 1 30 LEU HA 1 30 LEU MD2 . . 2.400 2.037 1.970 2.080 . 0 0 "[ . 1 . 2]" 1
224 1 30 LEU HA 1 30 LEU HG . . 3.420 3.306 3.278 3.339 . 0 0 "[ . 1 . 2]" 1
225 1 30 LEU HA 1 31 LEU H . . 3.150 2.716 2.671 2.799 . 0 0 "[ . 1 . 2]" 1
226 1 30 LEU HB2 1 30 LEU MD1 . . 2.660 2.403 2.366 2.447 . 0 0 "[ . 1 . 2]" 1
227 1 30 LEU HB2 1 43 CYS HB3 . . 3.100 2.988 2.827 3.224 0.124 18 0 "[ . 1 . 2]" 1
228 1 30 LEU HB3 1 30 LEU MD1 . . 2.670 2.218 2.183 2.247 . 0 0 "[ . 1 . 2]" 1
229 1 30 LEU HB3 1 30 LEU MD2 . . 2.540 2.387 2.346 2.412 . 0 0 "[ . 1 . 2]" 1
230 1 30 LEU HB3 1 31 LEU H . . 2.570 1.897 1.840 1.941 . 0 0 "[ . 1 . 2]" 1
231 1 30 LEU HB3 1 32 SER H . . 3.890 3.387 3.318 3.472 . 0 0 "[ . 1 . 2]" 1
232 1 30 LEU HB3 1 43 CYS HB3 . . 3.910 3.682 3.583 3.742 . 0 0 "[ . 1 . 2]" 1
233 1 30 LEU HB3 1 45 ARG HA . . 3.580 2.962 2.852 3.134 . 0 0 "[ . 1 . 2]" 1
234 1 30 LEU MD1 1 43 CYS HA . . 4.630 3.720 3.669 3.832 . 0 0 "[ . 1 . 2]" 1
235 1 30 LEU MD1 1 43 CYS HB2 . . 2.660 2.045 1.944 2.197 . 0 0 "[ . 1 . 2]" 1
236 1 30 LEU MD1 1 43 CYS HB3 . . 2.460 1.955 1.872 2.043 . 0 0 "[ . 1 . 2]" 1
237 1 30 LEU MD2 1 31 LEU H . . 3.410 3.474 3.415 3.579 0.169 18 0 "[ . 1 . 2]" 1
238 1 30 LEU MD2 1 45 ARG HA . . 3.380 3.337 3.233 3.399 0.019 3 0 "[ . 1 . 2]" 1
239 1 30 LEU MD2 1 45 ARG HB2 . . 2.730 2.262 2.079 2.511 . 0 0 "[ . 1 . 2]" 1
240 1 30 LEU MD2 1 45 ARG HB3 . . 2.480 2.056 1.947 2.209 . 0 0 "[ . 1 . 2]" 1
241 1 30 LEU MD2 1 45 ARG QD . . 2.780 2.230 2.007 2.582 . 0 0 "[ . 1 . 2]" 1
242 1 30 LEU MD2 1 45 ARG HE . . 4.640 2.793 2.296 3.275 . 0 0 "[ . 1 . 2]" 1
243 1 31 LEU H 1 31 LEU HB2 . . 2.990 2.358 2.333 2.396 . 0 0 "[ . 1 . 2]" 1
244 1 31 LEU H 1 31 LEU HB3 . . 3.490 3.577 3.563 3.598 0.108 18 0 "[ . 1 . 2]" 1
245 1 31 LEU H 1 31 LEU QD . . 3.620 3.248 3.183 3.300 . 0 0 "[ . 1 . 2]" 1
246 1 31 LEU H 1 31 LEU HG . . 2.820 2.563 2.443 2.684 . 0 0 "[ . 1 . 2]" 1
247 1 31 LEU H 1 32 SER H . . 2.760 2.634 2.494 2.726 . 0 0 "[ . 1 . 2]" 1
248 1 31 LEU H 1 45 ARG HA . . 3.140 2.548 2.464 2.605 . 0 0 "[ . 1 . 2]" 1
249 1 31 LEU HA 1 31 LEU HB3 . . 2.550 2.520 2.501 2.542 . 0 0 "[ . 1 . 2]" 1
250 1 31 LEU HA 1 31 LEU QD . . 2.400 2.005 1.958 2.197 . 0 0 "[ . 1 . 2]" 1
251 1 31 LEU HB2 1 31 LEU QD . . 2.470 2.176 2.119 2.301 . 0 0 "[ . 1 . 2]" 1
252 1 31 LEU HB2 1 32 SER H . . 3.000 2.369 2.311 2.436 . 0 0 "[ . 1 . 2]" 1
253 1 31 LEU HB2 1 44 THR HB . . 3.020 2.900 2.657 3.033 0.013 2 0 "[ . 1 . 2]" 1
254 1 31 LEU HB2 1 44 THR MG . . 2.830 2.834 2.779 2.856 0.026 15 0 "[ . 1 . 2]" 1
255 1 31 LEU HB2 1 45 ARG HA . . 4.040 3.209 3.101 3.316 . 0 0 "[ . 1 . 2]" 1
256 1 31 LEU HB3 1 31 LEU QD . . 2.560 2.121 2.068 2.163 . 0 0 "[ . 1 . 2]" 1
257 1 31 LEU HB3 1 32 SER H . . 3.260 3.282 3.244 3.332 0.072 9 0 "[ . 1 . 2]" 1
258 1 31 LEU QD 1 44 THR HB . . 3.890 3.596 3.383 3.806 . 0 0 "[ . 1 . 2]" 1
259 1 31 LEU QD 1 44 THR MG . . 2.560 2.150 1.960 2.426 . 0 0 "[ . 1 . 2]" 1
260 1 31 LEU QD 1 46 ASN H . . 3.290 3.200 3.167 3.231 . 0 0 "[ . 1 . 2]" 1
261 1 31 LEU QD 1 46 ASN HA . . 2.950 3.134 3.013 3.291 0.341 15 0 "[ . 1 . 2]" 1
262 1 31 LEU QD 1 46 ASN HD21 . . 3.870 3.375 3.262 3.448 . 0 0 "[ . 1 . 2]" 1
263 1 31 LEU QD 1 46 ASN HD22 . . 3.510 2.255 2.096 2.404 . 0 0 "[ . 1 . 2]" 1
264 1 31 LEU HG 1 45 ARG HA . . 2.710 2.535 2.372 2.725 0.015 16 0 "[ . 1 . 2]" 1
265 1 31 LEU HG 1 46 ASN H . . 3.590 3.292 3.035 3.441 . 0 0 "[ . 1 . 2]" 1
266 1 32 SER H 1 32 SER HB3 . . 3.700 3.382 3.228 3.710 0.010 11 0 "[ . 1 . 2]" 1
267 1 32 SER H 1 44 THR H . . 2.960 2.906 2.798 3.017 0.057 11 0 "[ . 1 . 2]" 1
268 1 32 SER H 1 44 THR HB . . 3.080 2.896 2.733 3.059 . 0 0 "[ . 1 . 2]" 1
269 1 32 SER HA 1 32 SER HB2 . . 2.530 2.408 2.323 2.626 0.096 11 0 "[ . 1 . 2]" 1
270 1 32 SER HA 1 32 SER HB3 . . 2.630 2.522 2.323 2.625 . 0 0 "[ . 1 . 2]" 1
271 1 32 SER HA 1 33 GLY H . . 2.730 2.669 2.510 2.738 0.008 14 0 "[ . 1 . 2]" 1
272 1 32 SER HB2 1 33 GLY H . . 2.470 2.089 1.926 2.281 . 0 0 "[ . 1 . 2]" 1
273 1 33 GLY HA2 1 34 ARG H . . 2.920 2.331 2.138 2.534 . 0 0 "[ . 1 . 2]" 1
274 1 33 GLY HA2 1 43 CYS HA . . 2.590 1.970 1.899 2.118 . 0 0 "[ . 1 . 2]" 1
275 1 33 GLY HA2 1 44 THR H . . 3.560 2.921 2.773 3.110 . 0 0 "[ . 1 . 2]" 1
276 1 33 GLY HA3 1 34 ARG H . . 3.310 2.883 2.593 3.291 . 0 0 "[ . 1 . 2]" 1
277 1 33 GLY HA3 1 43 CYS HA . . 3.110 2.832 2.640 3.189 0.079 11 0 "[ . 1 . 2]" 1
278 1 34 ARG H 1 34 ARG HG2 . . 3.630 3.456 2.813 3.668 0.038 3 0 "[ . 1 . 2]" 1
279 1 34 ARG H 1 34 ARG HG3 . . 3.890 2.851 2.233 3.114 . 0 0 "[ . 1 . 2]" 1
280 1 34 ARG H 1 42 TRP H . . 3.550 3.171 2.646 3.594 0.044 9 0 "[ . 1 . 2]" 1
281 1 34 ARG HA 1 34 ARG HB2 . . 2.950 3.012 3.006 3.018 0.068 15 0 "[ . 1 . 2]" 1
282 1 34 ARG HA 1 34 ARG HB3 . . 2.990 2.369 2.350 2.392 . 0 0 "[ . 1 . 2]" 1
283 1 34 ARG HA 1 34 ARG HG2 . . 3.660 2.631 2.548 2.743 . 0 0 "[ . 1 . 2]" 1
284 1 34 ARG HB2 1 34 ARG QD . . 2.860 2.556 2.257 2.774 . 0 0 "[ . 1 . 2]" 1
285 1 34 ARG HB2 1 42 TRP H . . 3.670 3.650 3.207 3.797 0.127 12 0 "[ . 1 . 2]" 1
286 1 34 ARG HB3 1 34 ARG QD . . 3.040 2.323 2.041 2.809 . 0 0 "[ . 1 . 2]" 1
287 1 34 ARG HB3 1 35 CYS H . . 3.740 2.915 2.270 3.305 . 0 0 "[ . 1 . 2]" 1
288 1 35 CYS H 1 35 CYS HB2 . . 3.990 2.802 2.676 3.029 . 0 0 "[ . 1 . 2]" 1
289 1 36 ARG HB2 1 37 ASP H . . 3.330 3.568 3.410 3.776 0.446 15 0 "[ . 1 . 2]" 1
290 1 36 ARG HB2 1 38 ASP H . . 4.230 3.226 2.630 4.195 . 0 0 "[ . 1 . 2]" 1
291 1 36 ARG HB2 1 42 TRP HD1 . . 4.060 3.943 3.333 4.320 0.260 19 0 "[ . 1 . 2]" 1
292 1 36 ARG HB3 1 37 ASP H . . 2.680 2.480 2.152 2.812 0.132 20 0 "[ . 1 . 2]" 1
293 1 36 ARG HB3 1 37 ASP QB . . 4.590 4.357 3.937 4.722 0.132 10 0 "[ . 1 . 2]" 1
294 1 36 ARG HB3 1 38 ASP H . . 3.700 2.459 2.135 2.663 . 0 0 "[ . 1 . 2]" 1
295 1 37 ASP H 1 37 ASP QB . . 2.910 2.355 2.264 2.797 . 0 0 "[ . 1 . 2]" 1
296 1 37 ASP H 1 38 ASP H . . 3.140 2.441 2.331 2.526 . 0 0 "[ . 1 . 2]" 1
297 1 37 ASP HA 1 37 ASP QB . . 2.400 2.367 2.166 2.421 0.021 4 0 "[ . 1 . 2]" 1
298 1 37 ASP HA 1 39 PHE H . . 3.710 3.318 3.148 3.479 . 0 0 "[ . 1 . 2]" 1
299 1 37 ASP QB 1 38 ASP H . . 3.130 3.244 2.901 3.602 0.472 8 0 "[ . 1 . 2]" 1
300 1 38 ASP H 1 38 ASP HB2 . . 3.760 3.587 3.496 3.636 . 0 0 "[ . 1 . 2]" 1
301 1 38 ASP H 1 39 PHE H . . 2.840 2.802 2.667 2.988 0.148 10 0 "[ . 1 . 2]" 1
302 1 38 ASP HA 1 38 ASP HB2 . . 2.670 2.552 2.414 2.674 0.004 13 0 "[ . 1 . 2]" 1
303 1 38 ASP HA 1 38 ASP HB3 . . 2.590 2.371 2.285 2.496 . 0 0 "[ . 1 . 2]" 1
304 1 38 ASP HA 1 39 PHE QD . . 5.270 3.802 3.661 4.001 . 0 0 "[ . 1 . 2]" 1
305 1 39 PHE H 1 39 PHE HA . . 2.840 2.275 2.273 2.282 . 0 0 "[ . 1 . 2]" 1
306 1 39 PHE HA 1 39 PHE QD . . 3.930 2.973 2.742 3.032 . 0 0 "[ . 1 . 2]" 1
307 1 40 ARG HA 1 40 ARG HB3 . . 2.800 2.415 2.382 2.477 . 0 0 "[ . 1 . 2]" 1
308 1 40 ARG HA 1 40 ARG HD2 . . 4.100 3.721 3.465 3.860 . 0 0 "[ . 1 . 2]" 1
309 1 40 ARG HA 1 40 ARG HD3 . . 3.280 3.302 2.954 3.362 0.082 11 0 "[ . 1 . 2]" 1
310 1 40 ARG HA 1 40 ARG QG . . 3.430 2.576 2.447 2.637 . 0 0 "[ . 1 . 2]" 1
311 1 40 ARG HA 1 41 CYS H . . 2.780 2.207 2.190 2.238 . 0 0 "[ . 1 . 2]" 1
312 1 40 ARG HB2 1 41 CYS H . . 3.860 3.937 3.830 4.046 0.186 16 0 "[ . 1 . 2]" 1
313 1 40 ARG HB2 1 42 TRP HD1 . . 4.110 3.958 3.664 4.183 0.073 17 0 "[ . 1 . 2]" 1
314 1 40 ARG HB3 1 40 ARG HD2 . . 2.710 2.036 1.991 2.097 . 0 0 "[ . 1 . 2]" 1
315 1 40 ARG HB3 1 40 ARG HD3 . . 2.800 2.889 2.785 3.002 0.202 13 0 "[ . 1 . 2]" 1
316 1 40 ARG HB3 1 41 CYS H . . 3.010 3.012 2.899 3.081 0.071 8 0 "[ . 1 . 2]" 1
317 1 40 ARG HD3 1 40 ARG HE . . 2.740 2.797 2.273 2.889 0.149 5 0 "[ . 1 . 2]" 1
318 1 41 CYS H 1 41 CYS HB2 . . 3.190 3.102 2.597 3.368 0.178 20 0 "[ . 1 . 2]" 1
319 1 41 CYS H 1 41 CYS HB3 . . 3.640 2.600 2.377 2.982 . 0 0 "[ . 1 . 2]" 1
320 1 41 CYS HA 1 42 TRP H . . 2.770 2.157 2.139 2.212 . 0 0 "[ . 1 . 2]" 1
321 1 42 TRP H 1 42 TRP HB2 . . 3.330 2.378 2.324 2.474 . 0 0 "[ . 1 . 2]" 1
322 1 42 TRP H 1 42 TRP HB3 . . 3.820 3.617 3.586 3.676 . 0 0 "[ . 1 . 2]" 1
323 1 42 TRP H 1 42 TRP HD1 . . 3.730 2.748 2.604 3.029 . 0 0 "[ . 1 . 2]" 1
324 1 42 TRP HA 1 43 CYS H . . 2.670 2.158 2.140 2.290 . 0 0 "[ . 1 . 2]" 1
325 1 42 TRP HB3 1 42 TRP HE3 . . 3.650 2.457 2.436 2.521 . 0 0 "[ . 1 . 2]" 1
326 1 42 TRP HB3 1 43 CYS H . . 4.010 3.355 2.737 3.617 . 0 0 "[ . 1 . 2]" 1
327 1 43 CYS H 1 43 CYS HB2 . . 3.360 2.642 2.572 2.723 . 0 0 "[ . 1 . 2]" 1
328 1 43 CYS H 1 43 CYS HB3 . . 3.670 3.709 3.664 3.817 0.147 16 0 "[ . 1 . 2]" 1
329 1 43 CYS HA 1 43 CYS HB2 . . 3.010 3.021 3.017 3.026 0.016 17 0 "[ . 1 . 2]" 1
330 1 43 CYS HA 1 43 CYS HB3 . . 2.620 2.407 2.377 2.453 . 0 0 "[ . 1 . 2]" 1
331 1 43 CYS HA 1 44 THR H . . 2.530 2.186 2.174 2.196 . 0 0 "[ . 1 . 2]" 1
332 1 43 CYS HB2 1 44 THR H . . 3.950 3.977 3.892 4.066 0.116 18 0 "[ . 1 . 2]" 1
333 1 43 CYS HB3 1 44 THR H . . 2.990 3.098 3.059 3.146 0.156 18 0 "[ . 1 . 2]" 1
334 1 44 THR H 1 44 THR HB . . 2.620 2.538 2.494 2.585 . 0 0 "[ . 1 . 2]" 1
335 1 44 THR H 1 44 THR MG . . 4.400 3.809 3.792 3.822 . 0 0 "[ . 1 . 2]" 1
336 1 44 THR HA 1 44 THR MG . . 2.770 2.311 2.253 2.357 . 0 0 "[ . 1 . 2]" 1
337 1 44 THR HA 1 45 ARG H . . 2.410 2.164 2.154 2.172 . 0 0 "[ . 1 . 2]" 1
338 1 44 THR MG 1 45 ARG H . . 2.890 2.298 2.230 2.396 . 0 0 "[ . 1 . 2]" 1
339 1 44 THR MG 1 45 ARG HA . . 3.670 3.596 3.516 3.686 0.016 18 0 "[ . 1 . 2]" 1
340 1 45 ARG H 1 45 ARG HB2 . . 3.940 3.883 3.871 3.898 . 0 0 "[ . 1 . 2]" 1
341 1 45 ARG H 1 45 ARG HB3 . . 2.840 3.154 3.103 3.199 0.359 9 0 "[ . 1 . 2]" 1
342 1 45 ARG HA 1 45 ARG HB2 . . 2.640 2.400 2.370 2.425 . 0 0 "[ . 1 . 2]" 1
343 1 45 ARG HA 1 45 ARG HB3 . . 2.550 2.499 2.472 2.534 . 0 0 "[ . 1 . 2]" 1
344 1 45 ARG HA 1 46 ASN H . . 2.400 2.426 2.347 2.464 0.064 7 0 "[ . 1 . 2]" 1
345 1 45 ARG HB2 1 45 ARG QD . . 2.790 2.830 2.315 2.890 0.100 9 0 "[ . 1 . 2]" 1
346 1 45 ARG HB2 1 45 ARG HE . . 4.470 2.437 2.080 4.254 . 0 0 "[ . 1 . 2]" 1
347 1 45 ARG HB2 1 45 ARG QG . . 2.740 2.340 2.312 2.357 . 0 0 "[ . 1 . 2]" 1
348 1 45 ARG HB2 1 46 ASN H . . 2.830 2.436 2.353 2.619 . 0 0 "[ . 1 . 2]" 1
349 1 45 ARG HB3 1 45 ARG QD . . 2.400 2.392 2.324 2.429 0.029 17 0 "[ . 1 . 2]" 1
350 1 45 ARG HB3 1 45 ARG HE . . 3.290 3.324 3.306 3.388 0.098 11 0 "[ . 1 . 2]" 1
351 1 45 ARG HB3 1 46 ASN H . . 3.970 3.826 3.775 3.943 . 0 0 "[ . 1 . 2]" 1
352 1 45 ARG QD 1 45 ARG HE . . 2.550 2.355 2.212 2.471 . 0 0 "[ . 1 . 2]" 1
353 1 45 ARG QD 1 45 ARG QG . . 2.470 2.014 2.009 2.034 . 0 0 "[ . 1 . 2]" 1
354 1 45 ARG HE 1 45 ARG QG . . 3.650 2.808 2.488 3.214 . 0 0 "[ . 1 . 2]" 1
355 1 46 ASN H 1 46 ASN HB2 . . 2.620 2.611 2.584 2.624 0.004 18 0 "[ . 1 . 2]" 1
356 1 46 ASN H 1 46 ASN HB3 . . 4.160 3.603 3.592 3.609 . 0 0 "[ . 1 . 2]" 1
357 1 46 ASN H 1 46 ASN HD21 . . 3.830 2.084 2.032 2.171 . 0 0 "[ . 1 . 2]" 1
358 1 46 ASN HA 1 46 ASN HB2 . . 2.980 3.023 3.022 3.025 0.045 16 0 "[ . 1 . 2]" 1
359 1 46 ASN HA 1 46 ASN HB3 . . 2.660 2.408 2.401 2.422 . 0 0 "[ . 1 . 2]" 1
360 1 46 ASN HA 1 47 CYS H . . 2.400 2.183 2.180 2.187 . 0 0 "[ . 1 . 2]" 1
361 1 46 ASN HB2 1 46 ASN HD21 . . 3.110 2.234 2.213 2.246 . 0 0 "[ . 1 . 2]" 1
362 1 46 ASN HB2 1 46 ASN HD22 . . 3.530 3.480 3.471 3.484 . 0 0 "[ . 1 . 2]" 1
363 1 46 ASN HB2 1 47 CYS H . . 3.970 3.993 3.979 4.025 0.055 16 0 "[ . 1 . 2]" 1
364 1 46 ASN HB3 1 47 CYS H . . 3.030 3.117 3.101 3.130 0.100 18 0 "[ . 1 . 2]" 1
365 1 47 CYS H 1 47 CYS HB3 . . 3.500 3.251 3.240 3.260 . 0 0 "[ . 1 . 2]" 1
366 1 47 CYS HA 1 47 CYS HB2 . . 2.580 2.352 2.342 2.361 . 0 0 "[ . 1 . 2]" 1
367 1 47 CYS HA 1 47 CYS HB3 . . 2.530 2.569 2.558 2.583 0.053 9 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 6:24:31 PM GMT (wattos1)