NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
627613 |
6gif   |
34270 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gif
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 390
_Distance_constraint_stats_list.Viol_count 482
_Distance_constraint_stats_list.Viol_total 301.320
_Distance_constraint_stats_list.Viol_max 0.479
_Distance_constraint_stats_list.Viol_rms 0.0275
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0625
_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 MET 0.000 0.000 . 0 "[ . 1]"
1 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 THR 0.000 0.000 . 0 "[ . 1]"
1 4 LYS 0.165 0.089 4 0 "[ . 1]"
1 5 HIS 0.165 0.089 4 0 "[ . 1]"
1 6 GLY 0.000 0.000 . 0 "[ . 1]"
1 7 LYS 0.015 0.012 7 0 "[ . 1]"
1 8 ASN 0.015 0.012 7 0 "[ . 1]"
1 9 SER 2.861 0.479 9 0 "[ . 1]"
1 10 TRP 3.680 0.479 9 0 "[ . 1]"
1 11 LYS 0.308 0.049 10 0 "[ . 1]"
1 12 THR 2.611 0.168 10 0 "[ . 1]"
1 13 LEU 5.418 0.217 7 0 "[ . 1]"
1 14 TYR 5.928 0.217 7 0 "[ . 1]"
1 15 LEU 1.197 0.109 4 0 "[ . 1]"
1 16 LYS 3.903 0.159 8 0 "[ . 1]"
1 17 ILE 3.153 0.118 4 0 "[ . 1]"
1 18 SER 0.321 0.058 4 0 "[ . 1]"
1 19 PHE 2.171 0.090 5 0 "[ . 1]"
1 20 LEU 1.305 0.104 5 0 "[ . 1]"
1 21 GLY 0.000 0.000 . 0 "[ . 1]"
1 22 CYS 4.303 0.175 1 0 "[ . 1]"
1 23 LYS 4.654 0.185 6 0 "[ . 1]"
1 24 VAL 6.313 0.175 1 0 "[ . 1]"
1 25 VAL 3.884 0.185 6 0 "[ . 1]"
1 26 ALA 1.927 0.095 1 0 "[ . 1]"
1 27 LEU 3.152 0.142 6 0 "[ . 1]"
1 28 LEU 0.257 0.024 6 0 "[ . 1]"
1 29 LYS 0.577 0.073 10 0 "[ . 1]"
1 30 ARG 1.981 0.122 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 ALA H . . 4.380 2.605 2.144 3.514 . 0 0 "[ . 1]" 1
2 1 1 MET QG 1 2 ALA H . . 5.980 3.767 2.662 4.822 . 0 0 "[ . 1]" 1
3 1 2 ALA HA 1 3 THR H . . 4.250 2.644 2.230 3.113 . 0 0 "[ . 1]" 1
4 1 2 ALA MB 1 3 THR H . . 5.090 3.290 2.031 3.720 . 0 0 "[ . 1]" 1
5 1 3 THR HA 1 4 LYS H . . 4.180 2.461 2.106 3.108 . 0 0 "[ . 1]" 1
6 1 3 THR HB 1 4 LYS H . . 4.940 4.206 3.943 4.434 . 0 0 "[ . 1]" 1
7 1 3 THR MG 1 4 LYS H . . 5.440 3.771 2.469 4.384 . 0 0 "[ . 1]" 1
8 1 4 LYS H 1 5 HIS H . . 4.380 3.323 2.291 4.185 . 0 0 "[ . 1]" 1
9 1 4 LYS HA 1 5 HIS H . . 4.150 2.559 2.193 3.068 . 0 0 "[ . 1]" 1
10 1 4 LYS HB2 1 5 HIS H . . 5.060 4.303 3.809 4.524 . 0 0 "[ . 1]" 1
11 1 4 LYS HB3 1 5 HIS H . . 5.310 4.340 3.942 4.605 . 0 0 "[ . 1]" 1
12 1 4 LYS QD 1 5 HIS H . . 5.710 5.178 4.255 5.799 0.089 4 0 "[ . 1]" 1
13 1 5 HIS HB2 1 6 GLY H . . 5.090 4.003 2.722 4.638 . 0 0 "[ . 1]" 1
14 1 5 HIS HB3 1 6 GLY H . . 5.120 4.174 3.880 4.440 . 0 0 "[ . 1]" 1
15 1 6 GLY HA2 1 7 LYS H . . 4.370 2.531 2.144 3.458 . 0 0 "[ . 1]" 1
16 1 6 GLY HA2 1 8 ASN H . . 5.440 4.212 3.073 5.388 . 0 0 "[ . 1]" 1
17 1 6 GLY HA3 1 7 LYS H . . 4.360 2.891 2.342 3.483 . 0 0 "[ . 1]" 1
18 1 7 LYS H 1 8 ASN H . . 4.130 3.128 2.254 4.142 0.012 7 0 "[ . 1]" 1
19 1 7 LYS HA 1 8 ASN H . . 4.150 2.724 2.192 3.188 . 0 0 "[ . 1]" 1
20 1 7 LYS HA 1 8 ASN QB . . 5.430 4.870 4.518 5.212 . 0 0 "[ . 1]" 1
21 1 7 LYS HA 1 10 TRP HB3 . . 5.990 5.167 4.445 5.695 . 0 0 "[ . 1]" 1
22 1 7 LYS HA 1 10 TRP HD1 . . 5.060 3.427 2.790 4.059 . 0 0 "[ . 1]" 1
23 1 7 LYS QB 1 8 ASN H . . 4.770 3.683 3.348 3.876 . 0 0 "[ . 1]" 1
24 1 7 LYS QB 1 8 ASN QB . . 5.600 4.752 3.573 5.323 . 0 0 "[ . 1]" 1
25 1 7 LYS HG2 1 8 ASN H . . 5.860 4.912 3.659 5.697 . 0 0 "[ . 1]" 1
26 1 7 LYS HG3 1 8 ASN H . . 5.700 4.453 3.329 4.795 . 0 0 "[ . 1]" 1
27 1 7 LYS HG3 1 8 ASN QB . . 5.960 4.888 3.537 5.963 0.003 10 0 "[ . 1]" 1
28 1 8 ASN H 1 9 SER H . . 3.850 1.923 1.816 2.108 . 0 0 "[ . 1]" 1
29 1 8 ASN HA 1 9 SER H . . 6.000 3.465 3.397 3.542 . 0 0 "[ . 1]" 1
30 1 8 ASN HA 1 10 TRP H . . 4.520 4.072 3.881 4.290 . 0 0 "[ . 1]" 1
31 1 8 ASN QB 1 9 SER H . . 4.570 3.505 3.014 3.707 . 0 0 "[ . 1]" 1
32 1 8 ASN QB 1 10 TRP H . . 5.600 5.119 4.848 5.309 . 0 0 "[ . 1]" 1
33 1 8 ASN QB 1 10 TRP HD1 . . 5.760 5.213 4.909 5.520 . 0 0 "[ . 1]" 1
34 1 8 ASN QB 1 11 LYS H . . 5.660 4.442 4.310 4.513 . 0 0 "[ . 1]" 1
35 1 8 ASN QB 1 11 LYS HB2 . . 5.330 4.142 3.914 4.231 . 0 0 "[ . 1]" 1
36 1 8 ASN QB 1 11 LYS HB3 . . 4.880 3.610 3.277 3.864 . 0 0 "[ . 1]" 1
37 1 8 ASN QB 1 11 LYS QD . . 4.940 4.133 3.780 4.391 . 0 0 "[ . 1]" 1
38 1 8 ASN QB 1 11 LYS QG . . 5.560 5.089 4.828 5.191 . 0 0 "[ . 1]" 1
39 1 8 ASN QB 1 12 THR MG . . 5.470 5.065 4.787 5.375 . 0 0 "[ . 1]" 1
40 1 9 SER H 1 10 TRP H . . 3.810 2.986 2.886 3.063 . 0 0 "[ . 1]" 1
41 1 9 SER H 1 11 LYS H . . 5.670 4.099 4.018 4.215 . 0 0 "[ . 1]" 1
42 1 9 SER H 1 12 THR H . . 5.310 4.538 4.492 4.608 . 0 0 "[ . 1]" 1
43 1 9 SER H 1 12 THR MG . . 5.550 5.691 5.651 5.718 0.168 10 0 "[ . 1]" 1
44 1 9 SER HA 1 10 TRP H . . 6.000 3.568 3.554 3.586 . 0 0 "[ . 1]" 1
45 1 9 SER HA 1 10 TRP HD1 . . 5.930 5.930 5.884 5.959 0.029 1 0 "[ . 1]" 1
46 1 9 SER HA 1 11 LYS H . . 5.330 3.936 3.865 3.989 . 0 0 "[ . 1]" 1
47 1 9 SER HA 1 12 THR H . . 5.130 3.098 2.958 3.160 . 0 0 "[ . 1]" 1
48 1 9 SER HA 1 12 THR HA . . 4.930 4.882 4.712 4.960 0.030 1 0 "[ . 1]" 1
49 1 9 SER HA 1 12 THR MG . . 5.580 3.709 3.574 3.788 . 0 0 "[ . 1]" 1
50 1 9 SER HB2 1 10 TRP H . . 4.670 3.175 2.572 3.998 . 0 0 "[ . 1]" 1
51 1 9 SER HB2 1 10 TRP HD1 . . 5.800 5.415 4.773 6.279 0.479 9 0 "[ . 1]" 1
52 1 9 SER HB3 1 10 TRP H . . 4.830 3.312 2.533 3.829 . 0 0 "[ . 1]" 1
53 1 10 TRP H 1 11 LYS H . . 3.470 2.510 2.481 2.547 . 0 0 "[ . 1]" 1
54 1 10 TRP H 1 11 LYS HA . . 5.560 5.154 5.125 5.183 . 0 0 "[ . 1]" 1
55 1 10 TRP H 1 11 LYS HB2 . . 5.410 4.416 4.389 4.448 . 0 0 "[ . 1]" 1
56 1 10 TRP H 1 11 LYS HB3 . . 5.320 5.115 5.045 5.223 . 0 0 "[ . 1]" 1
57 1 10 TRP H 1 13 LEU QB . . 5.550 5.644 5.619 5.656 0.106 1 0 "[ . 1]" 1
58 1 10 TRP H 1 13 LEU QD . . 5.430 3.930 3.857 3.991 . 0 0 "[ . 1]" 1
59 1 10 TRP H 1 13 LEU HG . . 5.340 3.979 3.915 4.007 . 0 0 "[ . 1]" 1
60 1 10 TRP HA 1 11 LYS H . . 4.830 3.433 3.424 3.449 . 0 0 "[ . 1]" 1
61 1 10 TRP HA 1 12 THR H . . 5.870 4.240 4.171 4.305 . 0 0 "[ . 1]" 1
62 1 10 TRP HA 1 13 LEU H . . 4.920 3.395 3.335 3.445 . 0 0 "[ . 1]" 1
63 1 10 TRP HA 1 13 LEU QB . . 5.420 3.362 3.347 3.380 . 0 0 "[ . 1]" 1
64 1 10 TRP HA 1 13 LEU QD . . 5.780 2.162 2.109 2.230 . 0 0 "[ . 1]" 1
65 1 10 TRP HA 1 13 LEU HG . . 6.000 1.830 1.799 1.866 . 0 0 "[ . 1]" 1
66 1 10 TRP HB2 1 11 LYS H . . 4.980 4.025 4.004 4.042 . 0 0 "[ . 1]" 1
67 1 10 TRP HB2 1 12 THR H . . 5.910 5.638 5.579 5.699 . 0 0 "[ . 1]" 1
68 1 10 TRP HB2 1 13 LEU QB . . 5.540 4.580 4.526 4.631 . 0 0 "[ . 1]" 1
69 1 10 TRP HB2 1 13 LEU QD . . 5.230 3.297 3.227 3.373 . 0 0 "[ . 1]" 1
70 1 10 TRP HB2 1 13 LEU HG . . 5.770 4.000 3.951 4.038 . 0 0 "[ . 1]" 1
71 1 10 TRP HB3 1 11 LYS H . . 5.020 3.783 3.760 3.800 . 0 0 "[ . 1]" 1
72 1 10 TRP HB3 1 13 LEU QB . . 5.620 5.547 5.517 5.581 . 0 0 "[ . 1]" 1
73 1 10 TRP HB3 1 13 LEU QD . . 5.340 3.794 3.732 3.857 . 0 0 "[ . 1]" 1
74 1 10 TRP HB3 1 13 LEU HG . . 5.890 4.389 4.359 4.428 . 0 0 "[ . 1]" 1
75 1 10 TRP HD1 1 11 LYS HA . . 5.890 5.482 5.454 5.509 . 0 0 "[ . 1]" 1
76 1 10 TRP HE3 1 11 LYS HA . . 4.010 3.262 3.230 3.287 . 0 0 "[ . 1]" 1
77 1 10 TRP HE3 1 11 LYS QG . . 5.830 4.507 4.455 4.570 . 0 0 "[ . 1]" 1
78 1 10 TRP HE3 1 13 LEU QB . . 5.210 4.356 4.290 4.440 . 0 0 "[ . 1]" 1
79 1 10 TRP HE3 1 13 LEU HG . . 4.730 4.798 4.773 4.815 0.085 9 0 "[ . 1]" 1
80 1 10 TRP HE3 1 14 TYR HA . . 5.000 5.042 5.014 5.076 0.076 7 0 "[ . 1]" 1
81 1 10 TRP HE3 1 14 TYR HB2 . . 4.400 2.932 2.894 3.018 . 0 0 "[ . 1]" 1
82 1 10 TRP HE3 1 14 TYR HB3 . . 4.890 4.359 4.301 4.503 . 0 0 "[ . 1]" 1
83 1 10 TRP HH2 1 11 LYS QE . . 6.000 6.031 6.000 6.049 0.049 10 0 "[ . 1]" 1
84 1 10 TRP HZ2 1 11 LYS HB3 . . 5.940 5.361 5.261 5.421 . 0 0 "[ . 1]" 1
85 1 10 TRP HZ2 1 11 LYS QE . . 6.000 5.936 5.865 5.964 . 0 0 "[ . 1]" 1
86 1 10 TRP HZ3 1 11 LYS HA . . 5.360 3.716 3.683 3.741 . 0 0 "[ . 1]" 1
87 1 10 TRP HZ3 1 14 TYR HB2 . . 5.660 3.373 3.322 3.431 . 0 0 "[ . 1]" 1
88 1 10 TRP HZ3 1 14 TYR HB3 . . 5.940 3.929 3.857 4.080 . 0 0 "[ . 1]" 1
89 1 11 LYS H 1 12 THR HA . . 5.250 4.870 4.857 4.887 . 0 0 "[ . 1]" 1
90 1 11 LYS H 1 12 THR HB . . 4.930 4.742 4.656 4.804 . 0 0 "[ . 1]" 1
91 1 11 LYS H 1 12 THR MG . . 5.480 5.407 5.398 5.420 . 0 0 "[ . 1]" 1
92 1 11 LYS H 1 13 LEU QD . . 5.550 4.385 4.341 4.461 . 0 0 "[ . 1]" 1
93 1 11 LYS H 1 14 TYR HB2 . . 6.000 4.432 4.406 4.460 . 0 0 "[ . 1]" 1
94 1 11 LYS H 1 14 TYR HB3 . . 5.770 5.142 5.082 5.224 . 0 0 "[ . 1]" 1
95 1 11 LYS HA 1 12 THR H . . 4.720 3.431 3.416 3.451 . 0 0 "[ . 1]" 1
96 1 11 LYS HA 1 13 LEU H . . 5.150 4.074 3.990 4.166 . 0 0 "[ . 1]" 1
97 1 11 LYS HA 1 13 LEU QB . . 5.190 4.661 4.576 4.729 . 0 0 "[ . 1]" 1
98 1 11 LYS HA 1 14 TYR H . . 3.980 3.067 3.027 3.116 . 0 0 "[ . 1]" 1
99 1 11 LYS HA 1 14 TYR HA . . 4.940 4.593 4.540 4.629 . 0 0 "[ . 1]" 1
100 1 11 LYS HA 1 14 TYR QD . . 4.220 3.834 3.779 3.889 . 0 0 "[ . 1]" 1
101 1 11 LYS HA 1 14 TYR QE . . 5.760 5.600 5.547 5.655 . 0 0 "[ . 1]" 1
102 1 11 LYS HB2 1 12 THR H . . 4.720 3.556 3.512 3.598 . 0 0 "[ . 1]" 1
103 1 11 LYS HB3 1 12 THR H . . 4.640 2.808 2.777 2.849 . 0 0 "[ . 1]" 1
104 1 11 LYS HB3 1 14 TYR HB3 . . 5.670 4.687 4.663 4.721 . 0 0 "[ . 1]" 1
105 1 11 LYS QD 1 14 TYR QD . . 5.430 5.317 5.305 5.325 . 0 0 "[ . 1]" 1
106 1 11 LYS QE 1 12 THR MG . . 4.850 4.308 4.296 4.325 . 0 0 "[ . 1]" 1
107 1 11 LYS QE 1 13 LEU H . . 5.700 5.339 5.286 5.389 . 0 0 "[ . 1]" 1
108 1 11 LYS QG 1 12 THR H . . 5.140 4.319 4.288 4.346 . 0 0 "[ . 1]" 1
109 1 12 THR H 1 13 LEU H . . 3.780 2.498 2.473 2.526 . 0 0 "[ . 1]" 1
110 1 12 THR H 1 13 LEU HA . . 5.350 5.160 5.142 5.179 . 0 0 "[ . 1]" 1
111 1 12 THR H 1 13 LEU QB . . 5.380 4.825 4.780 4.860 . 0 0 "[ . 1]" 1
112 1 12 THR H 1 13 LEU QD . . 4.820 3.948 3.906 4.015 . 0 0 "[ . 1]" 1
113 1 12 THR H 1 14 TYR H . . 5.230 3.552 3.524 3.603 . 0 0 "[ . 1]" 1
114 1 12 THR H 1 15 LEU H . . 5.620 4.645 4.597 4.687 . 0 0 "[ . 1]" 1
115 1 12 THR H 1 15 LEU QB . . 5.560 5.562 5.545 5.584 0.024 7 0 "[ . 1]" 1
116 1 12 THR HA 1 13 LEU H . . 3.710 3.512 3.503 3.527 . 0 0 "[ . 1]" 1
117 1 12 THR HB 1 13 LEU H . . 4.060 2.783 2.667 2.861 . 0 0 "[ . 1]" 1
118 1 12 THR HB 1 13 LEU QB . . 6.000 5.008 4.925 5.085 . 0 0 "[ . 1]" 1
119 1 12 THR HB 1 13 LEU HG . . 4.650 4.140 4.084 4.214 . 0 0 "[ . 1]" 1
120 1 12 THR MG 1 13 LEU H . . 4.400 3.961 3.917 3.995 . 0 0 "[ . 1]" 1
121 1 12 THR MG 1 13 LEU HA . . 4.380 4.389 4.327 4.413 0.033 7 0 "[ . 1]" 1
122 1 12 THR MG 1 14 TYR H . . 5.540 4.771 4.746 4.808 . 0 0 "[ . 1]" 1
123 1 12 THR MG 1 15 LEU H . . 5.310 4.940 4.879 5.020 . 0 0 "[ . 1]" 1
124 1 12 THR MG 1 16 LYS H . . 5.040 4.680 4.639 4.732 . 0 0 "[ . 1]" 1
125 1 12 THR MG 1 16 LYS HA . . 5.580 5.668 5.632 5.706 0.126 2 0 "[ . 1]" 1
126 1 12 THR MG 1 16 LYS QE . . 6.000 5.533 5.222 6.016 0.016 9 0 "[ . 1]" 1
127 1 13 LEU H 1 14 TYR H . . 3.500 2.404 2.362 2.457 . 0 0 "[ . 1]" 1
128 1 13 LEU H 1 14 TYR HB2 . . 5.380 4.030 3.971 4.115 . 0 0 "[ . 1]" 1
129 1 13 LEU H 1 14 TYR HB3 . . 5.500 4.884 4.841 4.954 . 0 0 "[ . 1]" 1
130 1 13 LEU H 1 15 LEU H . . 4.460 4.460 4.433 4.474 0.014 9 0 "[ . 1]" 1
131 1 13 LEU HA 1 16 LYS HB2 . . 3.690 3.830 3.814 3.849 0.159 8 0 "[ . 1]" 1
132 1 13 LEU HA 1 16 LYS HB3 . . 3.790 2.775 2.643 2.875 . 0 0 "[ . 1]" 1
133 1 13 LEU HA 1 16 LYS QG . . 5.030 4.121 3.976 4.226 . 0 0 "[ . 1]" 1
134 1 13 LEU HA 1 17 ILE MD . . 3.980 3.788 3.722 3.868 . 0 0 "[ . 1]" 1
135 1 13 LEU QB 1 14 TYR H . . 4.450 2.884 2.868 2.918 . 0 0 "[ . 1]" 1
136 1 13 LEU QB 1 14 TYR HB2 . . 5.290 3.413 3.376 3.460 . 0 0 "[ . 1]" 1
137 1 13 LEU QB 1 14 TYR HB3 . . 5.350 4.747 4.714 4.786 . 0 0 "[ . 1]" 1
138 1 13 LEU QB 1 14 TYR QD . . 4.850 3.765 3.748 3.800 . 0 0 "[ . 1]" 1
139 1 13 LEU QB 1 14 TYR QE . . 5.680 5.721 5.699 5.736 0.056 8 0 "[ . 1]" 1
140 1 13 LEU QB 1 15 LEU H . . 6.000 4.997 4.961 5.026 . 0 0 "[ . 1]" 1
141 1 13 LEU HG 1 14 TYR H . . 3.750 3.703 3.668 3.744 . 0 0 "[ . 1]" 1
142 1 13 LEU HG 1 14 TYR HA . . 6.000 5.488 5.454 5.521 . 0 0 "[ . 1]" 1
143 1 13 LEU HG 1 14 TYR QD . . 5.200 5.381 5.357 5.417 0.217 7 0 "[ . 1]" 1
144 1 14 TYR H 1 15 LEU QD . . 3.800 3.787 3.783 3.793 . 0 0 "[ . 1]" 1
145 1 14 TYR H 1 15 LEU HG . . 4.700 4.040 3.842 4.215 . 0 0 "[ . 1]" 1
146 1 14 TYR H 1 16 LYS H . . 4.410 3.263 3.220 3.298 . 0 0 "[ . 1]" 1
147 1 14 TYR H 1 17 ILE HB . . 4.080 4.187 4.180 4.198 0.118 4 0 "[ . 1]" 1
148 1 14 TYR H 1 17 ILE MD . . 5.470 4.776 4.753 4.803 . 0 0 "[ . 1]" 1
149 1 14 TYR HA 1 15 LEU H . . 3.520 3.538 3.529 3.542 0.022 1 0 "[ . 1]" 1
150 1 14 TYR HA 1 15 LEU QD . . 6.000 5.342 5.324 5.356 . 0 0 "[ . 1]" 1
151 1 14 TYR HA 1 16 LYS H . . 3.810 3.843 3.828 3.852 0.042 4 0 "[ . 1]" 1
152 1 14 TYR HA 1 17 ILE H . . 4.010 2.938 2.868 3.002 . 0 0 "[ . 1]" 1
153 1 14 TYR HA 1 17 ILE MD . . 3.830 3.500 3.470 3.523 . 0 0 "[ . 1]" 1
154 1 14 TYR HA 1 17 ILE QG . . 4.740 3.716 3.668 3.757 . 0 0 "[ . 1]" 1
155 1 14 TYR HB2 1 15 LEU H . . 3.810 3.414 3.382 3.456 . 0 0 "[ . 1]" 1
156 1 14 TYR HB2 1 17 ILE HB . . 4.970 4.532 4.484 4.576 . 0 0 "[ . 1]" 1
157 1 14 TYR HB2 1 17 ILE MD . . 5.540 5.250 5.220 5.282 . 0 0 "[ . 1]" 1
158 1 14 TYR HB2 1 17 ILE MG . . 4.400 4.408 4.390 4.439 0.039 4 0 "[ . 1]" 1
159 1 14 TYR HB3 1 15 LEU H . . 3.660 2.310 2.253 2.376 . 0 0 "[ . 1]" 1
160 1 14 TYR HB3 1 17 ILE HB . . 5.220 4.854 4.792 4.893 . 0 0 "[ . 1]" 1
161 1 14 TYR HB3 1 17 ILE MD . . 5.910 5.973 5.956 5.991 0.081 1 0 "[ . 1]" 1
162 1 14 TYR HB3 1 17 ILE MG . . 4.620 4.335 4.289 4.371 . 0 0 "[ . 1]" 1
163 1 14 TYR QD 1 15 LEU H . . 4.600 3.778 3.740 3.844 . 0 0 "[ . 1]" 1
164 1 14 TYR QD 1 15 LEU HA . . 4.360 3.704 3.673 3.731 . 0 0 "[ . 1]" 1
165 1 14 TYR QD 1 15 LEU QB . . 5.180 4.377 4.362 4.386 . 0 0 "[ . 1]" 1
166 1 14 TYR QD 1 17 ILE MD . . 4.700 4.701 4.682 4.708 0.008 8 0 "[ . 1]" 1
167 1 14 TYR QD 1 17 ILE MG . . 3.520 3.326 3.259 3.369 . 0 0 "[ . 1]" 1
168 1 14 TYR QE 1 15 LEU HA . . 5.470 5.563 5.545 5.579 0.109 4 0 "[ . 1]" 1
169 1 14 TYR QE 1 17 ILE MD . . 5.950 5.684 5.591 5.728 . 0 0 "[ . 1]" 1
170 1 14 TYR QE 1 17 ILE MG . . 3.900 3.591 3.477 3.646 . 0 0 "[ . 1]" 1
171 1 14 TYR QE 1 18 SER HB2 . . 5.780 4.913 4.335 5.785 0.005 4 0 "[ . 1]" 1
172 1 15 LEU H 1 16 LYS H . . 3.590 2.463 2.427 2.499 . 0 0 "[ . 1]" 1
173 1 15 LEU H 1 16 LYS HA . . 5.310 5.124 5.093 5.158 . 0 0 "[ . 1]" 1
174 1 15 LEU H 1 16 LYS HB2 . . 5.640 4.868 4.809 4.911 . 0 0 "[ . 1]" 1
175 1 15 LEU HA 1 16 LYS H . . 3.880 3.416 3.405 3.426 . 0 0 "[ . 1]" 1
176 1 15 LEU HA 1 17 ILE H . . 5.820 4.358 4.199 4.479 . 0 0 "[ . 1]" 1
177 1 15 LEU HG 1 16 LYS H . . 3.830 2.233 2.177 2.296 . 0 0 "[ . 1]" 1
178 1 15 LEU HG 1 16 LYS HA . . 5.060 3.755 3.620 3.883 . 0 0 "[ . 1]" 1
179 1 16 LYS H 1 17 ILE H . . 3.710 2.274 2.241 2.313 . 0 0 "[ . 1]" 1
180 1 16 LYS H 1 17 ILE MD . . 4.830 4.873 4.857 4.888 0.058 4 0 "[ . 1]" 1
181 1 16 LYS H 1 17 ILE MG . . 6.000 4.462 4.442 4.492 . 0 0 "[ . 1]" 1
182 1 16 LYS H 1 19 PHE QB . . 5.270 4.305 4.237 4.349 . 0 0 "[ . 1]" 1
183 1 16 LYS H 1 20 LEU H . . 6.000 6.068 6.031 6.104 0.104 5 0 "[ . 1]" 1
184 1 16 LYS HA 1 17 ILE H . . 4.440 3.494 3.489 3.498 . 0 0 "[ . 1]" 1
185 1 16 LYS HA 1 17 ILE HA . . 5.770 4.882 4.860 4.906 . 0 0 "[ . 1]" 1
186 1 16 LYS HA 1 17 ILE HB . . 6.000 5.531 5.510 5.551 . 0 0 "[ . 1]" 1
187 1 16 LYS HA 1 17 ILE MG . . 6.000 5.514 5.470 5.536 . 0 0 "[ . 1]" 1
188 1 16 LYS HA 1 18 SER H . . 5.290 4.101 4.019 4.192 . 0 0 "[ . 1]" 1
189 1 16 LYS HA 1 19 PHE H . . 4.200 3.341 3.235 3.405 . 0 0 "[ . 1]" 1
190 1 16 LYS HA 1 19 PHE QB . . 4.370 2.076 1.972 2.170 . 0 0 "[ . 1]" 1
191 1 16 LYS HA 1 19 PHE QD . . 4.580 2.578 2.457 2.708 . 0 0 "[ . 1]" 1
192 1 16 LYS HA 1 20 LEU H . . 5.260 3.968 3.897 4.028 . 0 0 "[ . 1]" 1
193 1 16 LYS HB2 1 17 ILE H . . 4.050 3.765 3.658 3.891 . 0 0 "[ . 1]" 1
194 1 16 LYS HB2 1 19 PHE QB . . 5.990 4.375 4.217 4.493 . 0 0 "[ . 1]" 1
195 1 16 LYS HB3 1 17 ILE H . . 4.260 2.453 2.319 2.621 . 0 0 "[ . 1]" 1
196 1 16 LYS HB3 1 19 PHE QB . . 5.540 4.701 4.614 4.768 . 0 0 "[ . 1]" 1
197 1 16 LYS QD 1 17 ILE H . . 4.370 2.948 2.846 3.032 . 0 0 "[ . 1]" 1
198 1 16 LYS QD 1 17 ILE HA . . 4.410 2.404 2.342 2.476 . 0 0 "[ . 1]" 1
199 1 16 LYS QD 1 18 SER H . . 4.860 4.370 4.353 4.399 . 0 0 "[ . 1]" 1
200 1 16 LYS QD 1 18 SER HA . . 6.000 6.012 5.977 6.042 0.042 6 0 "[ . 1]" 1
201 1 16 LYS QE 1 17 ILE HB . . 5.460 3.899 3.655 4.974 . 0 0 "[ . 1]" 1
202 1 16 LYS QE 1 17 ILE MG . . 6.000 4.953 4.726 5.631 . 0 0 "[ . 1]" 1
203 1 16 LYS QG 1 17 ILE H . . 5.910 4.085 4.013 4.199 . 0 0 "[ . 1]" 1
204 1 16 LYS QG 1 19 PHE QB . . 5.710 3.559 3.414 3.632 . 0 0 "[ . 1]" 1
205 1 17 ILE H 1 18 SER H . . 3.640 2.670 2.585 2.714 . 0 0 "[ . 1]" 1
206 1 17 ILE HA 1 18 SER H . . 3.990 3.443 3.421 3.449 . 0 0 "[ . 1]" 1
207 1 17 ILE HA 1 18 SER HA . . 4.870 4.584 4.561 4.603 . 0 0 "[ . 1]" 1
208 1 17 ILE HA 1 20 LEU H . . 4.120 4.126 3.976 4.164 0.044 2 0 "[ . 1]" 1
209 1 17 ILE HB 1 18 SER H . . 6.000 3.454 3.409 3.516 . 0 0 "[ . 1]" 1
210 1 17 ILE HB 1 18 SER HA . . 6.000 5.299 5.232 5.363 . 0 0 "[ . 1]" 1
211 1 17 ILE HB 1 19 PHE QB . . 6.000 6.054 6.025 6.074 0.074 2 0 "[ . 1]" 1
212 1 17 ILE MD 1 18 SER H . . 5.130 4.694 4.677 4.716 . 0 0 "[ . 1]" 1
213 1 17 ILE MD 1 18 SER HA . . 6.000 5.786 5.768 5.824 . 0 0 "[ . 1]" 1
214 1 17 ILE QG 1 18 SER H . . 5.260 4.360 4.336 4.379 . 0 0 "[ . 1]" 1
215 1 17 ILE QG 1 18 SER HA . . 5.050 4.710 4.681 4.723 . 0 0 "[ . 1]" 1
216 1 17 ILE MG 1 18 SER H . . 3.480 2.303 2.207 2.379 . 0 0 "[ . 1]" 1
217 1 17 ILE MG 1 18 SER HA . . 3.030 2.923 2.861 2.984 . 0 0 "[ . 1]" 1
218 1 17 ILE MG 1 18 SER HB2 . . 4.420 2.994 2.609 3.713 . 0 0 "[ . 1]" 1
219 1 17 ILE MG 1 18 SER HB3 . . 3.920 3.763 3.668 3.978 0.058 4 0 "[ . 1]" 1
220 1 18 SER H 1 19 PHE HA . . 4.990 4.826 4.791 4.840 . 0 0 "[ . 1]" 1
221 1 18 SER H 1 19 PHE QB . . 4.920 3.701 3.669 3.740 . 0 0 "[ . 1]" 1
222 1 18 SER HA 1 19 PHE QB . . 6.000 5.081 5.073 5.094 . 0 0 "[ . 1]" 1
223 1 18 SER HA 1 21 GLY H . . 5.260 3.560 3.424 3.602 . 0 0 "[ . 1]" 1
224 1 18 SER HB2 1 19 PHE H . . 4.300 3.530 2.705 3.896 . 0 0 "[ . 1]" 1
225 1 18 SER HB2 1 19 PHE HA . . 5.760 5.202 4.160 5.667 . 0 0 "[ . 1]" 1
226 1 18 SER HB3 1 19 PHE H . . 3.850 3.072 2.686 3.873 0.023 3 0 "[ . 1]" 1
227 1 19 PHE H 1 20 LEU H . . 3.720 3.002 2.958 3.047 . 0 0 "[ . 1]" 1
228 1 19 PHE HA 1 20 LEU H . . 6.000 3.611 3.607 3.615 . 0 0 "[ . 1]" 1
229 1 19 PHE HA 1 20 LEU HA . . 5.780 4.597 4.567 4.616 . 0 0 "[ . 1]" 1
230 1 19 PHE HA 1 20 LEU QD . . 5.360 4.747 4.670 4.796 . 0 0 "[ . 1]" 1
231 1 19 PHE HA 1 21 GLY H . . 5.670 4.220 4.193 4.286 . 0 0 "[ . 1]" 1
232 1 19 PHE HA 1 22 CYS H . . 4.200 3.741 3.701 3.811 . 0 0 "[ . 1]" 1
233 1 19 PHE HA 1 22 CYS HB2 . . 5.160 3.432 3.385 3.470 . 0 0 "[ . 1]" 1
234 1 19 PHE HA 1 22 CYS HB3 . . 4.810 4.753 4.697 4.827 0.017 3 0 "[ . 1]" 1
235 1 19 PHE HA 1 23 LYS H . . 4.820 4.864 4.834 4.887 0.067 10 0 "[ . 1]" 1
236 1 19 PHE QB 1 20 LEU H . . 4.380 2.646 2.600 2.693 . 0 0 "[ . 1]" 1
237 1 19 PHE QB 1 20 LEU HA . . 5.100 4.561 4.530 4.592 . 0 0 "[ . 1]" 1
238 1 19 PHE QB 1 20 LEU QB . . 5.050 4.253 4.186 4.293 . 0 0 "[ . 1]" 1
239 1 19 PHE QB 1 20 LEU QD . . 4.740 3.601 3.496 3.644 . 0 0 "[ . 1]" 1
240 1 19 PHE QB 1 20 LEU HG . . 6.000 6.037 6.021 6.053 0.053 4 0 "[ . 1]" 1
241 1 19 PHE QB 1 21 GLY H . . 5.870 4.323 4.296 4.349 . 0 0 "[ . 1]" 1
242 1 19 PHE QD 1 20 LEU H . . 5.270 2.423 2.369 2.505 . 0 0 "[ . 1]" 1
243 1 19 PHE QD 1 20 LEU HA . . 4.390 3.826 3.799 3.868 . 0 0 "[ . 1]" 1
244 1 19 PHE QD 1 20 LEU QB . . 4.890 2.858 2.792 3.010 . 0 0 "[ . 1]" 1
245 1 19 PHE QD 1 20 LEU QD . . 3.350 2.852 2.749 2.909 . 0 0 "[ . 1]" 1
246 1 19 PHE QD 1 22 CYS HB2 . . 4.950 4.332 4.285 4.353 . 0 0 "[ . 1]" 1
247 1 19 PHE QD 1 22 CYS HB3 . . 5.690 5.703 5.685 5.719 0.029 8 0 "[ . 1]" 1
248 1 19 PHE QD 1 23 LYS QD . . 5.090 4.414 3.814 4.684 . 0 0 "[ . 1]" 1
249 1 19 PHE QD 1 23 LYS QE . . 5.560 4.287 3.569 5.552 . 0 0 "[ . 1]" 1
250 1 19 PHE QD 1 23 LYS HG3 . . 5.840 4.316 4.064 4.511 . 0 0 "[ . 1]" 1
251 1 19 PHE QE 1 20 LEU HA . . 5.120 3.889 3.857 3.939 . 0 0 "[ . 1]" 1
252 1 19 PHE QE 1 20 LEU QB . . 5.570 2.709 2.646 2.836 . 0 0 "[ . 1]" 1
253 1 19 PHE QE 1 20 LEU QD . . 3.840 3.540 3.493 3.575 . 0 0 "[ . 1]" 1
254 1 19 PHE QE 1 22 CYS HB2 . . 5.440 5.500 5.486 5.530 0.090 5 0 "[ . 1]" 1
255 1 19 PHE QE 1 23 LYS QD . . 5.260 3.379 2.470 3.749 . 0 0 "[ . 1]" 1
256 1 19 PHE QE 1 23 LYS QE . . 5.860 2.737 1.989 4.203 . 0 0 "[ . 1]" 1
257 1 19 PHE QE 1 23 LYS HG2 . . 5.680 4.680 4.249 5.014 . 0 0 "[ . 1]" 1
258 1 20 LEU H 1 21 GLY H . . 3.750 2.333 2.303 2.365 . 0 0 "[ . 1]" 1
259 1 20 LEU HA 1 21 GLY H . . 3.720 3.389 3.378 3.400 . 0 0 "[ . 1]" 1
260 1 20 LEU QB 1 21 GLY H . . 4.680 3.572 3.555 3.596 . 0 0 "[ . 1]" 1
261 1 20 LEU QD 1 21 GLY H . . 4.250 1.864 1.849 1.872 . 0 0 "[ . 1]" 1
262 1 20 LEU QD 1 21 GLY QA . . 3.170 2.994 2.979 3.007 . 0 0 "[ . 1]" 1
263 1 20 LEU QD 1 23 LYS QE . . 6.000 5.044 4.538 5.346 . 0 0 "[ . 1]" 1
264 1 20 LEU HG 1 21 GLY H . . 4.030 3.077 3.033 3.155 . 0 0 "[ . 1]" 1
265 1 21 GLY H 1 22 CYS H . . 3.770 2.561 2.537 2.574 . 0 0 "[ . 1]" 1
266 1 21 GLY H 1 24 VAL HB . . 5.960 4.857 4.784 5.023 . 0 0 "[ . 1]" 1
267 1 21 GLY H 1 24 VAL MG2 . . 5.740 4.346 4.296 4.419 . 0 0 "[ . 1]" 1
268 1 21 GLY QA 1 22 CYS H . . 3.550 2.862 2.854 2.876 . 0 0 "[ . 1]" 1
269 1 21 GLY QA 1 22 CYS HA . . 5.340 4.115 4.109 4.126 . 0 0 "[ . 1]" 1
270 1 21 GLY QA 1 23 LYS H . . 5.240 4.230 4.211 4.245 . 0 0 "[ . 1]" 1
271 1 21 GLY QA 1 24 VAL H . . 4.490 3.159 3.137 3.199 . 0 0 "[ . 1]" 1
272 1 21 GLY QA 1 24 VAL HB . . 4.380 2.244 2.175 2.398 . 0 0 "[ . 1]" 1
273 1 21 GLY QA 1 24 VAL MG2 . . 4.540 2.908 2.850 2.959 . 0 0 "[ . 1]" 1
274 1 21 GLY QA 1 25 VAL H . . 5.390 3.661 3.588 3.728 . 0 0 "[ . 1]" 1
275 1 22 CYS H 1 24 VAL HA . . 6.000 6.154 6.144 6.175 0.175 1 0 "[ . 1]" 1
276 1 22 CYS H 1 24 VAL HB . . 4.750 4.606 4.541 4.691 . 0 0 "[ . 1]" 1
277 1 22 CYS HA 1 23 LYS H . . 3.760 3.485 3.470 3.502 . 0 0 "[ . 1]" 1
278 1 22 CYS HA 1 23 LYS HB2 . . 6.000 5.552 5.514 5.580 . 0 0 "[ . 1]" 1
279 1 22 CYS HA 1 25 VAL H . . 4.240 2.975 2.908 3.043 . 0 0 "[ . 1]" 1
280 1 22 CYS HA 1 25 VAL HB . . 3.510 1.867 1.785 1.959 . 0 0 "[ . 1]" 1
281 1 22 CYS HA 1 25 VAL MG1 . . 3.960 3.242 3.113 3.344 . 0 0 "[ . 1]" 1
282 1 22 CYS HA 1 25 VAL MG2 . . 3.740 2.892 2.815 2.958 . 0 0 "[ . 1]" 1
283 1 22 CYS HA 1 26 ALA H . . 4.590 4.230 4.093 4.411 . 0 0 "[ . 1]" 1
284 1 22 CYS HB2 1 23 LYS H . . 4.250 2.217 2.179 2.255 . 0 0 "[ . 1]" 1
285 1 22 CYS HB2 1 23 LYS HA . . 4.130 4.212 4.192 4.237 0.107 5 0 "[ . 1]" 1
286 1 22 CYS HB2 1 23 LYS HG2 . . 4.890 4.560 4.391 4.686 . 0 0 "[ . 1]" 1
287 1 22 CYS HB2 1 23 LYS HG3 . . 5.350 3.259 3.091 3.396 . 0 0 "[ . 1]" 1
288 1 22 CYS HB2 1 24 VAL H . . 5.140 4.544 4.524 4.571 . 0 0 "[ . 1]" 1
289 1 22 CYS HB2 1 25 VAL MG2 . . 5.900 5.410 5.340 5.475 . 0 0 "[ . 1]" 1
290 1 22 CYS HB3 1 23 LYS H . . 4.040 3.276 3.223 3.343 . 0 0 "[ . 1]" 1
291 1 22 CYS HB3 1 23 LYS HA . . 4.840 4.337 4.278 4.425 . 0 0 "[ . 1]" 1
292 1 22 CYS HB3 1 24 VAL H . . 5.060 5.179 5.168 5.189 0.129 10 0 "[ . 1]" 1
293 1 22 CYS HB3 1 26 ALA MB . . 5.860 5.099 4.879 5.381 . 0 0 "[ . 1]" 1
294 1 23 LYS H 1 24 VAL H . . 4.000 2.593 2.579 2.611 . 0 0 "[ . 1]" 1
295 1 23 LYS H 1 24 VAL HA . . 5.210 5.220 5.215 5.233 0.023 8 0 "[ . 1]" 1
296 1 23 LYS H 1 24 VAL HB . . 4.990 4.861 4.815 4.913 . 0 0 "[ . 1]" 1
297 1 23 LYS H 1 24 VAL MG1 . . 6.000 5.880 5.858 5.905 . 0 0 "[ . 1]" 1
298 1 23 LYS H 1 26 ALA H . . 5.660 4.636 4.553 4.750 . 0 0 "[ . 1]" 1
299 1 23 LYS HA 1 24 VAL H . . 3.640 3.437 3.426 3.448 . 0 0 "[ . 1]" 1
300 1 23 LYS HA 1 24 VAL HA . . 5.180 4.625 4.606 4.637 . 0 0 "[ . 1]" 1
301 1 23 LYS HA 1 24 VAL HB . . 6.000 5.825 5.793 5.857 . 0 0 "[ . 1]" 1
302 1 23 LYS HA 1 24 VAL MG1 . . 6.000 6.078 6.070 6.086 0.086 8 0 "[ . 1]" 1
303 1 23 LYS HA 1 25 VAL H . . 4.430 4.144 4.043 4.265 . 0 0 "[ . 1]" 1
304 1 23 LYS HB2 1 24 VAL H . . 3.070 2.386 2.293 2.443 . 0 0 "[ . 1]" 1
305 1 23 LYS HB2 1 24 VAL HA . . 4.800 4.192 4.039 4.275 . 0 0 "[ . 1]" 1
306 1 23 LYS HB2 1 25 VAL H . . 4.320 4.482 4.451 4.505 0.185 6 0 "[ . 1]" 1
307 1 23 LYS HB2 1 26 ALA H . . 5.310 5.222 5.154 5.270 . 0 0 "[ . 1]" 1
308 1 23 LYS HB3 1 24 VAL H . . 3.420 3.461 3.444 3.490 0.070 1 0 "[ . 1]" 1
309 1 23 LYS HB3 1 24 VAL HA . . 6.000 4.235 4.163 4.291 . 0 0 "[ . 1]" 1
310 1 23 LYS HB3 1 26 ALA H . . 5.080 5.127 5.099 5.175 0.095 1 0 "[ . 1]" 1
311 1 23 LYS QD 1 24 VAL H . . 5.080 4.512 4.334 4.599 . 0 0 "[ . 1]" 1
312 1 23 LYS HG3 1 24 VAL H . . 5.710 4.133 3.940 4.234 . 0 0 "[ . 1]" 1
313 1 24 VAL H 1 25 VAL H . . 3.490 2.277 2.232 2.305 . 0 0 "[ . 1]" 1
314 1 24 VAL H 1 26 ALA H . . 5.030 3.770 3.672 3.836 . 0 0 "[ . 1]" 1
315 1 24 VAL HA 1 25 VAL H . . 4.090 3.417 3.405 3.430 . 0 0 "[ . 1]" 1
316 1 24 VAL HA 1 26 ALA H . . 5.180 3.761 3.712 3.864 . 0 0 "[ . 1]" 1
317 1 24 VAL HA 1 26 ALA MB . . 5.620 4.119 4.057 4.217 . 0 0 "[ . 1]" 1
318 1 24 VAL HA 1 27 LEU H . . 3.990 2.824 2.806 2.846 . 0 0 "[ . 1]" 1
319 1 24 VAL HA 1 27 LEU HA . . 5.170 5.229 5.212 5.250 0.080 10 0 "[ . 1]" 1
320 1 24 VAL HA 1 27 LEU HB3 . . 4.730 3.740 3.691 3.812 . 0 0 "[ . 1]" 1
321 1 24 VAL HA 1 27 LEU QD . . 4.500 2.220 2.165 2.353 . 0 0 "[ . 1]" 1
322 1 24 VAL HA 1 27 LEU HG . . 4.040 2.077 2.043 2.116 . 0 0 "[ . 1]" 1
323 1 24 VAL HA 1 28 LEU H . . 4.990 4.004 3.948 4.094 . 0 0 "[ . 1]" 1
324 1 24 VAL HB 1 25 VAL H . . 3.540 2.949 2.895 2.999 . 0 0 "[ . 1]" 1
325 1 24 VAL HB 1 25 VAL HA . . 5.740 4.417 4.391 4.447 . 0 0 "[ . 1]" 1
326 1 24 VAL HB 1 27 LEU H . . 4.970 5.099 5.094 5.112 0.142 6 0 "[ . 1]" 1
327 1 24 VAL MG2 1 27 LEU H . . 4.710 4.751 4.740 4.757 0.047 5 0 "[ . 1]" 1
328 1 25 VAL H 1 26 ALA H . . 3.420 2.488 2.441 2.527 . 0 0 "[ . 1]" 1
329 1 25 VAL H 1 26 ALA MB . . 4.410 4.180 4.136 4.225 . 0 0 "[ . 1]" 1
330 1 25 VAL H 1 27 LEU HG . . 5.300 4.563 4.491 4.610 . 0 0 "[ . 1]" 1
331 1 25 VAL H 1 28 LEU QD . . 5.370 4.352 4.281 4.478 . 0 0 "[ . 1]" 1
332 1 25 VAL HA 1 26 ALA H . . 4.090 3.472 3.461 3.485 . 0 0 "[ . 1]" 1
333 1 25 VAL HA 1 26 ALA HA . . 5.930 4.741 4.729 4.756 . 0 0 "[ . 1]" 1
334 1 25 VAL HA 1 26 ALA MB . . 5.370 4.980 4.972 4.990 . 0 0 "[ . 1]" 1
335 1 25 VAL HA 1 27 LEU H . . 4.570 4.002 3.949 4.034 . 0 0 "[ . 1]" 1
336 1 25 VAL HA 1 28 LEU H . . 4.100 3.055 2.998 3.077 . 0 0 "[ . 1]" 1
337 1 25 VAL HA 1 28 LEU HA . . 5.010 5.006 4.929 5.030 0.020 1 0 "[ . 1]" 1
338 1 25 VAL HA 1 28 LEU QB . . 4.380 2.225 2.074 2.300 . 0 0 "[ . 1]" 1
339 1 25 VAL HA 1 28 LEU QD . . 3.830 2.215 2.135 2.338 . 0 0 "[ . 1]" 1
340 1 25 VAL HA 1 28 LEU HG . . 4.240 4.246 4.219 4.264 0.024 6 0 "[ . 1]" 1
341 1 25 VAL HA 1 29 LYS H . . 4.500 2.712 2.634 2.850 . 0 0 "[ . 1]" 1
342 1 25 VAL HA 1 29 LYS QD . . 5.880 4.694 3.961 5.695 . 0 0 "[ . 1]" 1
343 1 25 VAL HA 1 30 ARG H . . 4.720 3.891 3.863 3.925 . 0 0 "[ . 1]" 1
344 1 25 VAL HB 1 26 ALA H . . 3.530 3.043 2.982 3.077 . 0 0 "[ . 1]" 1
345 1 25 VAL HB 1 26 ALA HA . . 5.440 4.865 4.789 4.929 . 0 0 "[ . 1]" 1
346 1 25 VAL MG1 1 26 ALA H . . 3.870 2.775 2.699 2.886 . 0 0 "[ . 1]" 1
347 1 25 VAL MG1 1 28 LEU H . . 4.510 4.450 4.326 4.515 0.005 4 0 "[ . 1]" 1
348 1 25 VAL MG1 1 30 ARG H . . 4.520 3.154 3.025 3.217 . 0 0 "[ . 1]" 1
349 1 25 VAL MG2 1 26 ALA H . . 4.110 4.164 4.138 4.176 0.066 5 0 "[ . 1]" 1
350 1 25 VAL MG2 1 26 ALA HA . . 5.150 5.196 5.185 5.227 0.077 7 0 "[ . 1]" 1
351 1 25 VAL MG2 1 28 LEU H . . 5.510 4.637 4.585 4.669 . 0 0 "[ . 1]" 1
352 1 25 VAL MG2 1 30 ARG H . . 4.370 4.476 4.462 4.492 0.122 6 0 "[ . 1]" 1
353 1 26 ALA H 1 27 LEU H . . 3.420 2.671 2.638 2.686 . 0 0 "[ . 1]" 1
354 1 26 ALA H 1 27 LEU QD . . 5.880 4.636 4.588 4.688 . 0 0 "[ . 1]" 1
355 1 26 ALA H 1 27 LEU HG . . 4.640 4.371 4.325 4.404 . 0 0 "[ . 1]" 1
356 1 26 ALA H 1 28 LEU H . . 5.320 3.922 3.901 3.945 . 0 0 "[ . 1]" 1
357 1 26 ALA HA 1 27 LEU H . . 3.920 3.530 3.516 3.540 . 0 0 "[ . 1]" 1
358 1 26 ALA HA 1 27 LEU HB3 . . 5.600 5.646 5.636 5.653 0.053 8 0 "[ . 1]" 1
359 1 26 ALA HA 1 27 LEU HG . . 6.000 5.683 5.650 5.702 . 0 0 "[ . 1]" 1
360 1 26 ALA HA 1 28 LEU H . . 5.240 4.347 4.248 4.401 . 0 0 "[ . 1]" 1
361 1 26 ALA HA 1 28 LEU QB . . 6.000 5.529 5.396 5.609 . 0 0 "[ . 1]" 1
362 1 26 ALA HA 1 28 LEU QD . . 5.810 5.660 5.646 5.673 . 0 0 "[ . 1]" 1
363 1 26 ALA HA 1 30 ARG H . . 4.920 3.142 3.071 3.231 . 0 0 "[ . 1]" 1
364 1 26 ALA MB 1 27 LEU H . . 3.400 2.819 2.774 2.873 . 0 0 "[ . 1]" 1
365 1 26 ALA MB 1 27 LEU HA . . 4.220 3.963 3.928 4.000 . 0 0 "[ . 1]" 1
366 1 26 ALA MB 1 30 ARG H . . 4.810 4.576 4.514 4.637 . 0 0 "[ . 1]" 1
367 1 27 LEU H 1 28 LEU H . . 3.350 2.241 2.222 2.252 . 0 0 "[ . 1]" 1
368 1 27 LEU H 1 28 LEU HA . . 5.280 4.920 4.902 4.936 . 0 0 "[ . 1]" 1
369 1 27 LEU H 1 28 LEU QB . . 4.960 3.859 3.841 3.877 . 0 0 "[ . 1]" 1
370 1 27 LEU HA 1 28 LEU H . . 4.210 3.428 3.419 3.437 . 0 0 "[ . 1]" 1
371 1 27 LEU HA 1 28 LEU QB . . 6.000 5.052 5.041 5.066 . 0 0 "[ . 1]" 1
372 1 27 LEU HA 1 30 ARG H . . 4.680 4.707 4.691 4.735 0.055 1 0 "[ . 1]" 1
373 1 27 LEU HA 1 30 ARG QD . . 5.360 4.148 3.633 4.877 . 0 0 "[ . 1]" 1
374 1 27 LEU HA 1 30 ARG HE . . 5.890 4.620 3.308 5.940 0.050 10 0 "[ . 1]" 1
375 1 27 LEU HA 1 30 ARG QG . . 5.110 2.703 2.470 3.047 . 0 0 "[ . 1]" 1
376 1 27 LEU HB2 1 28 LEU H . . 4.070 4.064 4.034 4.093 0.023 6 0 "[ . 1]" 1
377 1 27 LEU HG 1 28 LEU H . . 4.100 2.636 2.579 2.751 . 0 0 "[ . 1]" 1
378 1 27 LEU HG 1 28 LEU HA . . 4.750 4.416 4.380 4.528 . 0 0 "[ . 1]" 1
379 1 28 LEU H 1 29 LYS H . . 4.000 2.818 2.788 2.871 . 0 0 "[ . 1]" 1
380 1 28 LEU H 1 29 LYS QG . . 5.360 4.993 4.081 5.165 . 0 0 "[ . 1]" 1
381 1 28 LEU HA 1 29 LYS H . . 6.000 3.583 3.560 3.590 . 0 0 "[ . 1]" 1
382 1 28 LEU HA 1 29 LYS QG . . 5.280 4.992 4.841 5.096 . 0 0 "[ . 1]" 1
383 1 28 LEU QD 1 29 LYS H . . 4.680 2.179 2.146 2.231 . 0 0 "[ . 1]" 1
384 1 28 LEU QD 1 29 LYS HA . . 4.390 3.668 3.611 3.735 . 0 0 "[ . 1]" 1
385 1 28 LEU QD 1 30 ARG H . . 5.730 3.963 3.935 4.002 . 0 0 "[ . 1]" 1
386 1 28 LEU QD 1 30 ARG HA . . 5.840 5.700 5.666 5.726 . 0 0 "[ . 1]" 1
387 1 28 LEU HG 1 30 ARG H . . 5.370 4.604 4.491 4.683 . 0 0 "[ . 1]" 1
388 1 29 LYS H 1 30 ARG H . . 3.680 2.152 2.119 2.183 . 0 0 "[ . 1]" 1
389 1 29 LYS HA 1 30 ARG H . . 3.350 3.408 3.390 3.423 0.073 10 0 "[ . 1]" 1
390 1 29 LYS HA 1 30 ARG QG . . 5.450 3.940 3.764 4.104 . 0 0 "[ . 1]" 1
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