NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512773 |
2lat   |
17537 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lat
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 320
_Distance_constraint_stats_list.Viol_count 1791
_Distance_constraint_stats_list.Viol_total 2552.644
_Distance_constraint_stats_list.Viol_max 0.974
_Distance_constraint_stats_list.Viol_rms 0.0552
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0199
_Distance_constraint_stats_list.Viol_average_violations_only 0.0713
_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 3 THR 0.007 0.007 20 0 "[ . 1 . 2]"
1 4 ASP 0.061 0.020 18 0 "[ . 1 . 2]"
1 5 VAL 0.765 0.051 3 0 "[ . 1 . 2]"
1 6 GLN 2.357 0.090 3 0 "[ . 1 . 2]"
1 7 LEU 9.051 0.185 9 0 "[ . 1 . 2]"
1 8 ALA 7.053 0.131 8 0 "[ . 1 . 2]"
1 9 ILE 8.535 0.123 13 0 "[ . 1 . 2]"
1 10 PHE 8.089 0.185 9 0 "[ . 1 . 2]"
1 11 ALA 6.479 0.111 4 0 "[ . 1 . 2]"
1 12 ASN 8.899 0.131 8 0 "[ . 1 . 2]"
1 13 MET 7.176 0.157 9 0 "[ . 1 . 2]"
1 14 LEU 5.699 0.145 9 0 "[ . 1 . 2]"
1 15 GLY 11.291 0.157 15 0 "[ . 1 . 2]"
1 16 VAL 7.983 0.155 19 0 "[ . 1 . 2]"
1 17 SER 5.966 0.157 15 0 "[ . 1 . 2]"
1 18 LEU 2.304 0.070 4 0 "[ . 1 . 2]"
1 19 PHE 11.588 0.164 8 0 "[ . 1 . 2]"
1 20 LEU 8.087 0.155 19 0 "[ . 1 . 2]"
1 21 LEU 3.346 0.125 17 0 "[ . 1 . 2]"
1 22 VAL 5.894 0.082 2 0 "[ . 1 . 2]"
1 23 VAL 8.012 0.164 8 0 "[ . 1 . 2]"
1 24 LEU 10.658 0.136 1 0 "[ . 1 . 2]"
1 25 TYR 27.718 0.974 19 9 "[** . -* * . **+*]"
1 26 HIS 5.383 0.138 10 0 "[ . 1 . 2]"
1 27 TYR 1.616 0.068 13 0 "[ . 1 . 2]"
1 28 VAL 6.797 0.456 10 0 "[ . 1 . 2]"
1 29 ALA 4.555 0.140 10 0 "[ . 1 . 2]"
1 30 VAL 4.703 0.138 10 0 "[ . 1 . 2]"
1 31 ASN 5.048 0.144 20 0 "[ . 1 . 2]"
1 32 ASN 14.726 0.456 10 0 "[ . 1 . 2]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 5.547 0.312 20 0 "[ . 1 . 2]"
1 35 LYS 4.995 0.215 17 0 "[ . 1 . 2]"
1 36 GLN 1.653 0.090 1 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 3 THR H 1 3 THR MG . . 4.440 3.209 2.172 3.916 . 0 0 "[ . 1 . 2]" 1
2 1 3 THR H 1 4 ASP H . . 4.320 3.400 1.944 4.327 0.007 20 0 "[ . 1 . 2]" 1
3 1 3 THR HA 1 4 ASP H . . 3.860 2.624 2.169 3.519 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR MG 1 4 ASP H . . 5.650 3.699 2.181 4.376 . 0 0 "[ . 1 . 2]" 1
5 1 4 ASP H 1 4 ASP HA . . 3.080 2.737 2.274 2.947 . 0 0 "[ . 1 . 2]" 1
6 1 4 ASP H 1 4 ASP HB2 . . 3.360 2.693 2.209 3.343 . 0 0 "[ . 1 . 2]" 1
7 1 4 ASP H 1 5 VAL H . . 3.890 2.605 2.191 2.818 . 0 0 "[ . 1 . 2]" 1
8 1 4 ASP HA 1 5 VAL H . . 3.420 2.978 2.911 3.440 0.020 18 0 "[ . 1 . 2]" 1
9 1 4 ASP HA 1 6 GLN H . . 4.040 3.151 3.045 3.495 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASP HA 1 7 LEU H . . 3.830 3.829 3.783 3.842 0.012 3 0 "[ . 1 . 2]" 1
11 1 5 VAL H 1 5 VAL HB . . 3.080 2.602 2.516 2.627 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL H 1 5 VAL MG1 . . 4.260 3.431 1.978 3.784 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL H 1 6 GLN H . . 3.790 2.513 2.433 2.582 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL H 1 6 GLN HG2 . . 5.130 3.573 3.390 3.658 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL H 1 8 ALA MB . . 6.430 5.192 5.188 5.199 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL HA 1 6 GLN H . . 3.830 3.387 3.313 3.397 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL HA 1 7 LEU H . . 4.230 4.239 4.238 4.241 0.011 3 0 "[ . 1 . 2]" 1
18 1 5 VAL HA 1 8 ALA H . . 3.390 3.419 3.415 3.441 0.051 3 0 "[ . 1 . 2]" 1
19 1 6 GLN H 1 6 GLN HB2 . . 2.960 2.728 2.684 2.731 . 0 0 "[ . 1 . 2]" 1
20 1 6 GLN H 1 6 GLN HG2 . . 2.990 1.946 1.912 1.948 . 0 0 "[ . 1 . 2]" 1
21 1 6 GLN H 1 7 LEU H . . 3.420 2.682 2.557 2.696 . 0 0 "[ . 1 . 2]" 1
22 1 6 GLN HA 1 7 LEU H . . 3.830 3.546 3.543 3.548 . 0 0 "[ . 1 . 2]" 1
23 1 6 GLN HA 1 8 ALA H . . 4.070 4.038 4.030 4.076 0.006 3 0 "[ . 1 . 2]" 1
24 1 6 GLN HA 1 9 ILE H . . 3.600 3.667 3.663 3.686 0.086 3 0 "[ . 1 . 2]" 1
25 1 6 GLN HA 1 9 ILE MD . . 4.820 2.741 2.444 2.925 . 0 0 "[ . 1 . 2]" 1
26 1 6 GLN HB2 1 7 LEU H . . 3.790 2.511 2.489 2.541 . 0 0 "[ . 1 . 2]" 1
27 1 6 GLN HG2 1 7 LEU H . . 3.790 3.841 3.835 3.880 0.090 3 0 "[ . 1 . 2]" 1
28 1 7 LEU H 1 7 LEU HA . . 3.080 2.773 2.769 2.786 . 0 0 "[ . 1 . 2]" 1
29 1 7 LEU H 1 7 LEU HB2 . . 2.860 2.633 2.629 2.649 . 0 0 "[ . 1 . 2]" 1
30 1 7 LEU H 1 7 LEU HG . . 4.760 4.434 4.429 4.435 . 0 0 "[ . 1 . 2]" 1
31 1 7 LEU H 1 8 ALA H . . 3.450 2.734 2.699 2.745 . 0 0 "[ . 1 . 2]" 1
32 1 7 LEU H 1 8 ALA MB . . 5.430 4.281 4.245 4.294 . 0 0 "[ . 1 . 2]" 1
33 1 7 LEU H 1 10 PHE H . . 5.000 5.184 5.181 5.185 0.185 9 0 "[ . 1 . 2]" 1
34 1 7 LEU HA 1 9 ILE H . . 3.820 3.942 3.940 3.943 0.123 13 0 "[ . 1 . 2]" 1
35 1 7 LEU HA 1 10 PHE H . . 3.330 3.208 3.207 3.215 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU HG 1 10 PHE H . . 3.950 4.036 4.035 4.040 0.090 3 0 "[ . 1 . 2]" 1
37 1 8 ALA H 1 8 ALA HA . . 2.860 2.758 2.757 2.759 . 0 0 "[ . 1 . 2]" 1
38 1 8 ALA H 1 9 ILE H . . 3.270 2.793 2.789 2.794 . 0 0 "[ . 1 . 2]" 1
39 1 8 ALA H 1 9 ILE HG13 . . 4.570 4.259 4.173 4.315 . 0 0 "[ . 1 . 2]" 1
40 1 8 ALA H 1 10 PHE H . . 4.200 4.165 4.160 4.169 . 0 0 "[ . 1 . 2]" 1
41 1 8 ALA H 1 11 ALA H . . 4.700 4.769 4.763 4.773 0.073 19 0 "[ . 1 . 2]" 1
42 1 8 ALA HA 1 11 ALA H . . 3.170 3.268 3.262 3.271 0.101 17 0 "[ . 1 . 2]" 1
43 1 8 ALA HA 1 12 ASN H . . 3.550 3.679 3.678 3.681 0.131 8 0 "[ . 1 . 2]" 1
44 1 8 ALA MB 1 9 ILE H . . 4.410 2.756 2.752 2.764 . 0 0 "[ . 1 . 2]" 1
45 1 8 ALA MB 1 9 ILE HA . . 3.700 3.727 3.726 3.728 0.028 18 0 "[ . 1 . 2]" 1
46 1 8 ALA MB 1 10 PHE H . . 4.940 4.431 4.426 4.434 . 0 0 "[ . 1 . 2]" 1
47 1 9 ILE H 1 9 ILE HA . . 3.050 2.830 2.829 2.831 . 0 0 "[ . 1 . 2]" 1
48 1 9 ILE H 1 9 ILE HB . . 3.020 2.564 2.537 2.606 . 0 0 "[ . 1 . 2]" 1
49 1 9 ILE H 1 9 ILE MD . . 5.160 3.488 3.361 3.561 . 0 0 "[ . 1 . 2]" 1
50 1 9 ILE H 1 9 ILE HG13 . . 3.330 2.050 1.982 2.096 . 0 0 "[ . 1 . 2]" 1
51 1 9 ILE H 1 10 PHE H . . 3.480 2.572 2.571 2.574 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE HA 1 10 PHE H . . 3.670 3.486 3.483 3.487 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE HA 1 11 ALA H . . 4.480 4.257 4.253 4.264 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE HA 1 12 ASN H . . 3.580 3.666 3.665 3.669 0.089 9 0 "[ . 1 . 2]" 1
55 1 9 ILE HA 1 12 ASN HB2 . . 3.330 3.362 3.353 3.369 0.039 8 0 "[ . 1 . 2]" 1
56 1 9 ILE HA 1 12 ASN HB3 . . 3.390 3.459 3.456 3.461 0.071 7 0 "[ . 1 . 2]" 1
57 1 9 ILE HA 1 13 MET H . . 3.980 4.003 3.991 4.030 0.050 4 0 "[ . 1 . 2]" 1
58 1 9 ILE MD 1 10 PHE H . . 6.270 4.686 4.636 4.737 . 0 0 "[ . 1 . 2]" 1
59 1 10 PHE H 1 10 PHE HA . . 3.080 2.887 2.886 2.889 . 0 0 "[ . 1 . 2]" 1
60 1 10 PHE H 1 10 PHE HB3 . . 2.740 2.595 2.432 2.740 . 0 0 "[ . 1 . 2]" 1
61 1 10 PHE H 1 11 ALA H . . 3.330 2.355 2.346 2.359 . 0 0 "[ . 1 . 2]" 1
62 1 10 PHE H 1 12 ASN H . . 4.380 4.002 3.990 4.006 . 0 0 "[ . 1 . 2]" 1
63 1 10 PHE HA 1 11 ALA H . . 3.830 3.478 3.475 3.480 . 0 0 "[ . 1 . 2]" 1
64 1 10 PHE HA 1 13 MET H . . 3.700 3.798 3.791 3.808 0.108 4 0 "[ . 1 . 2]" 1
65 1 10 PHE HA 1 14 LEU H . . 4.260 4.296 4.288 4.312 0.052 4 0 "[ . 1 . 2]" 1
66 1 10 PHE HB3 1 11 ALA H . . 3.210 2.906 2.894 2.928 . 0 0 "[ . 1 . 2]" 1
67 1 11 ALA H 1 11 ALA HA . . 3.020 2.890 2.889 2.891 . 0 0 "[ . 1 . 2]" 1
68 1 11 ALA H 1 12 ASN H . . 3.390 2.417 2.412 2.424 . 0 0 "[ . 1 . 2]" 1
69 1 11 ALA H 1 13 MET H . . 4.140 3.885 3.869 3.906 . 0 0 "[ . 1 . 2]" 1
70 1 11 ALA HA 1 12 ASN H . . 3.580 3.541 3.539 3.542 . 0 0 "[ . 1 . 2]" 1
71 1 11 ALA HA 1 13 MET H . . 4.230 4.327 4.313 4.341 0.111 4 0 "[ . 1 . 2]" 1
72 1 11 ALA HA 1 14 LEU H . . 3.580 3.402 3.396 3.409 . 0 0 "[ . 1 . 2]" 1
73 1 11 ALA HA 1 14 LEU HB3 . . 3.330 3.389 3.381 3.394 0.064 1 0 "[ . 1 . 2]" 1
74 1 11 ALA MB 1 12 ASN H . . 4.190 2.614 2.523 2.686 . 0 0 "[ . 1 . 2]" 1
75 1 11 ALA MB 1 12 ASN HD21 . . 5.810 4.152 4.053 4.245 . 0 0 "[ . 1 . 2]" 1
76 1 11 ALA MB 1 12 ASN HD22 . . 5.840 5.637 5.569 5.707 . 0 0 "[ . 1 . 2]" 1
77 1 12 ASN H 1 12 ASN HB2 . . 3.020 2.150 2.148 2.154 . 0 0 "[ . 1 . 2]" 1
78 1 12 ASN H 1 12 ASN HB3 . . 3.140 3.013 3.004 3.018 . 0 0 "[ . 1 . 2]" 1
79 1 12 ASN H 1 12 ASN HD22 . . 5.160 5.191 5.184 5.201 0.041 4 0 "[ . 1 . 2]" 1
80 1 12 ASN H 1 13 MET H . . 3.210 2.635 2.627 2.646 . 0 0 "[ . 1 . 2]" 1
81 1 12 ASN HA 1 13 MET H . . 4.200 3.522 3.518 3.525 . 0 0 "[ . 1 . 2]" 1
82 1 12 ASN HA 1 15 GLY H . . 3.950 3.783 3.772 3.794 . 0 0 "[ . 1 . 2]" 1
83 1 12 ASN HA 1 16 VAL H . . 4.450 4.125 4.110 4.141 . 0 0 "[ . 1 . 2]" 1
84 1 12 ASN HB2 1 13 MET H . . 3.700 3.522 3.518 3.527 . 0 0 "[ . 1 . 2]" 1
85 1 12 ASN HB3 1 13 MET H . . 3.700 2.807 2.778 2.829 . 0 0 "[ . 1 . 2]" 1
86 1 12 ASN HB3 1 16 VAL H . . 5.000 5.097 5.085 5.105 0.105 1 0 "[ . 1 . 2]" 1
87 1 13 MET H 1 13 MET HA . . 2.930 2.851 2.848 2.855 . 0 0 "[ . 1 . 2]" 1
88 1 13 MET H 1 13 MET HB2 . . 3.210 2.499 2.085 2.917 . 0 0 "[ . 1 . 2]" 1
89 1 13 MET H 1 13 MET HB3 . . 3.210 2.678 2.226 3.367 0.157 9 0 "[ . 1 . 2]" 1
90 1 13 MET H 1 13 MET HG2 . . 4.040 4.095 4.019 4.159 0.119 9 0 "[ . 1 . 2]" 1
91 1 13 MET H 1 14 LEU H . . 3.420 2.514 2.499 2.530 . 0 0 "[ . 1 . 2]" 1
92 1 13 MET H 1 15 GLY H . . 3.980 3.981 3.979 3.983 0.003 11 0 "[ . 1 . 2]" 1
93 1 13 MET HA 1 14 LEU H . . 3.550 3.510 3.507 3.513 . 0 0 "[ . 1 . 2]" 1
94 1 13 MET HA 1 15 GLY H . . 3.550 3.624 3.619 3.628 0.078 4 0 "[ . 1 . 2]" 1
95 1 13 MET HA 1 16 VAL H . . 3.360 3.089 3.063 3.115 . 0 0 "[ . 1 . 2]" 1
96 1 13 MET HB3 1 14 LEU H . . 3.700 2.909 2.859 3.230 . 0 0 "[ . 1 . 2]" 1
97 1 13 MET HG2 1 14 LEU H . . 5.470 4.299 3.338 5.259 . 0 0 "[ . 1 . 2]" 1
98 1 14 LEU H 1 14 LEU HA . . 3.050 2.803 2.801 2.806 . 0 0 "[ . 1 . 2]" 1
99 1 14 LEU H 1 14 LEU HB2 . . 3.270 2.108 2.106 2.111 . 0 0 "[ . 1 . 2]" 1
100 1 14 LEU H 1 14 LEU HB3 . . 2.960 3.010 3.005 3.014 0.054 4 0 "[ . 1 . 2]" 1
101 1 14 LEU H 1 15 GLY H . . 3.450 2.650 2.646 2.655 . 0 0 "[ . 1 . 2]" 1
102 1 14 LEU HA 1 15 GLY H . . 3.860 3.414 3.412 3.415 . 0 0 "[ . 1 . 2]" 1
103 1 14 LEU HB2 1 15 GLY H . . 3.640 3.780 3.776 3.785 0.145 9 0 "[ . 1 . 2]" 1
104 1 14 LEU HB3 1 15 GLY H . . 3.450 3.252 3.248 3.259 . 0 0 "[ . 1 . 2]" 1
105 1 14 LEU QD 1 15 GLY H . . 7.290 4.234 3.947 4.378 . 0 0 "[ . 1 . 2]" 1
106 1 15 GLY H 1 15 GLY HA2 . . 3.050 2.952 2.951 2.953 . 0 0 "[ . 1 . 2]" 1
107 1 15 GLY H 1 15 GLY HA3 . . 3.140 2.434 2.433 2.435 . 0 0 "[ . 1 . 2]" 1
108 1 15 GLY H 1 16 VAL H . . 3.830 2.083 2.071 2.096 . 0 0 "[ . 1 . 2]" 1
109 1 15 GLY H 1 16 VAL HB . . 3.950 4.071 4.062 4.082 0.132 9 0 "[ . 1 . 2]" 1
110 1 15 GLY H 1 17 SER H . . 4.040 3.660 3.609 3.705 . 0 0 "[ . 1 . 2]" 1
111 1 15 GLY HA2 1 16 VAL H . . 3.450 3.529 3.523 3.535 0.085 2 0 "[ . 1 . 2]" 1
112 1 15 GLY HA2 1 17 SER H . . 3.550 3.700 3.687 3.707 0.157 15 0 "[ . 1 . 2]" 1
113 1 15 GLY HA2 1 18 LEU H . . 3.860 3.445 3.348 3.614 . 0 0 "[ . 1 . 2]" 1
114 1 15 GLY HA3 1 16 VAL H . . 3.760 2.856 2.838 2.874 . 0 0 "[ . 1 . 2]" 1
115 1 15 GLY HA3 1 18 LEU H . . 5.000 4.772 4.653 4.961 . 0 0 "[ . 1 . 2]" 1
116 1 16 VAL H 1 16 VAL HA . . 3.110 2.758 2.754 2.765 . 0 0 "[ . 1 . 2]" 1
117 1 16 VAL H 1 16 VAL HB . . 2.990 2.413 2.409 2.419 . 0 0 "[ . 1 . 2]" 1
118 1 16 VAL H 1 16 VAL MG1 . . 3.950 3.741 3.739 3.742 . 0 0 "[ . 1 . 2]" 1
119 1 16 VAL H 1 17 SER H . . 3.300 2.758 2.741 2.769 . 0 0 "[ . 1 . 2]" 1
120 1 16 VAL HA 1 17 SER H . . 3.470 3.460 3.451 3.467 . 0 0 "[ . 1 . 2]" 1
121 1 16 VAL HA 1 19 PHE H . . 3.390 3.413 3.393 3.447 0.057 4 0 "[ . 1 . 2]" 1
122 1 16 VAL HA 1 19 PHE HB2 . . 3.410 3.293 3.191 3.437 0.027 16 0 "[ . 1 . 2]" 1
123 1 16 VAL HA 1 19 PHE HB3 . . 3.240 2.249 2.121 2.425 . 0 0 "[ . 1 . 2]" 1
124 1 16 VAL HA 1 20 LEU H . . 3.860 3.203 2.877 3.387 . 0 0 "[ . 1 . 2]" 1
125 1 16 VAL HA 1 20 LEU HB3 . . 4.280 4.357 4.291 4.435 0.155 19 0 "[ . 1 . 2]" 1
126 1 16 VAL HB 1 17 SER H . . 3.240 3.054 3.032 3.080 . 0 0 "[ . 1 . 2]" 1
127 1 16 VAL MG1 1 17 SER H . . 4.910 3.477 3.439 3.531 . 0 0 "[ . 1 . 2]" 1
128 1 16 VAL MG2 1 17 SER H . . 5.030 4.135 4.130 4.139 . 0 0 "[ . 1 . 2]" 1
129 1 17 SER H 1 17 SER HB2 . . 3.330 2.612 2.204 3.042 . 0 0 "[ . 1 . 2]" 1
130 1 17 SER H 1 18 LEU H . . 3.420 2.767 2.661 2.872 . 0 0 "[ . 1 . 2]" 1
131 1 17 SER HA 1 18 LEU H . . 3.500 3.567 3.559 3.570 0.070 4 0 "[ . 1 . 2]" 1
132 1 17 SER HA 1 20 LEU H . . 4.070 4.111 4.026 4.200 0.130 16 0 "[ . 1 . 2]" 1
133 1 17 SER HA 1 21 LEU H . . 3.950 3.984 3.956 4.026 0.076 19 0 "[ . 1 . 2]" 1
134 1 17 SER HB2 1 18 LEU H . . 3.730 2.286 2.113 2.531 . 0 0 "[ . 1 . 2]" 1
135 1 17 SER HB2 1 19 PHE H . . 4.630 4.486 4.404 4.625 . 0 0 "[ . 1 . 2]" 1
136 1 18 LEU H 1 18 LEU HA . . 2.960 2.840 2.810 2.868 . 0 0 "[ . 1 . 2]" 1
137 1 18 LEU H 1 18 LEU HB2 . . 2.960 2.761 2.740 2.786 . 0 0 "[ . 1 . 2]" 1
138 1 18 LEU H 1 18 LEU HB3 . . 3.540 3.573 3.566 3.586 0.046 19 0 "[ . 1 . 2]" 1
139 1 18 LEU H 1 18 LEU HG . . 3.640 1.953 1.948 1.964 . 0 0 "[ . 1 . 2]" 1
140 1 18 LEU H 1 19 PHE H . . 3.330 2.545 2.469 2.619 . 0 0 "[ . 1 . 2]" 1
141 1 18 LEU HA 1 21 LEU H . . 4.010 3.973 3.904 4.044 0.034 19 0 "[ . 1 . 2]" 1
142 1 18 LEU HG 1 19 PHE H . . 4.100 4.079 3.988 4.111 0.011 14 0 "[ . 1 . 2]" 1
143 1 19 PHE H 1 19 PHE HA . . 2.860 2.892 2.870 2.911 0.051 19 0 "[ . 1 . 2]" 1
144 1 19 PHE H 1 19 PHE HB2 . . 2.960 2.674 2.612 2.729 . 0 0 "[ . 1 . 2]" 1
145 1 19 PHE H 1 19 PHE HB3 . . 2.830 2.513 2.511 2.518 . 0 0 "[ . 1 . 2]" 1
146 1 19 PHE H 1 19 PHE HD1 . . 4.910 4.584 4.562 4.604 . 0 0 "[ . 1 . 2]" 1
147 1 19 PHE H 1 20 LEU H . . 3.210 2.692 2.575 2.793 . 0 0 "[ . 1 . 2]" 1
148 1 19 PHE HA 1 19 PHE HD1 . . 3.330 1.940 1.933 1.943 . 0 0 "[ . 1 . 2]" 1
149 1 19 PHE HA 1 22 VAL H . . 3.570 3.612 3.598 3.650 0.080 19 0 "[ . 1 . 2]" 1
150 1 19 PHE HA 1 22 VAL HB . . 3.860 3.254 3.189 3.307 . 0 0 "[ . 1 . 2]" 1
151 1 19 PHE HA 1 22 VAL MG1 . . 5.710 4.604 4.521 4.669 . 0 0 "[ . 1 . 2]" 1
152 1 19 PHE HA 1 23 VAL H . . 3.880 4.033 4.018 4.044 0.164 8 0 "[ . 1 . 2]" 1
153 1 19 PHE HB2 1 19 PHE HD1 . . 3.420 3.096 3.091 3.106 . 0 0 "[ . 1 . 2]" 1
154 1 19 PHE HB2 1 20 LEU H . . 3.510 3.574 3.556 3.609 0.099 19 0 "[ . 1 . 2]" 1
155 1 19 PHE HB2 1 23 VAL MG2 . . 5.190 4.559 4.538 4.576 . 0 0 "[ . 1 . 2]" 1
156 1 19 PHE HB3 1 19 PHE HD1 . . 3.540 3.667 3.663 3.669 0.129 17 0 "[ . 1 . 2]" 1
157 1 19 PHE HD1 1 20 LEU H . . 4.940 4.515 4.500 4.547 . 0 0 "[ . 1 . 2]" 1
158 1 19 PHE HD1 1 20 LEU HA . . 4.850 4.941 4.931 4.951 0.101 4 0 "[ . 1 . 2]" 1
159 1 19 PHE HD1 1 22 VAL HB . . 4.940 3.466 3.415 3.506 . 0 0 "[ . 1 . 2]" 1
160 1 19 PHE HD1 1 22 VAL MG1 . . 5.030 4.380 4.266 4.466 . 0 0 "[ . 1 . 2]" 1
161 1 19 PHE HD1 1 22 VAL MG2 . . 4.160 4.204 4.187 4.219 0.059 1 0 "[ . 1 . 2]" 1
162 1 19 PHE HD1 1 23 VAL MG1 . . 6.090 5.152 5.128 5.168 . 0 0 "[ . 1 . 2]" 1
163 1 19 PHE HD1 1 23 VAL MG2 . . 4.100 2.667 2.656 2.673 . 0 0 "[ . 1 . 2]" 1
164 1 19 PHE HD2 1 23 VAL MG2 . . 4.220 4.171 4.136 4.203 . 0 0 "[ . 1 . 2]" 1
165 1 20 LEU H 1 20 LEU HA . . 3.050 2.755 2.750 2.765 . 0 0 "[ . 1 . 2]" 1
166 1 20 LEU H 1 20 LEU HB3 . . 3.110 2.305 2.247 2.516 . 0 0 "[ . 1 . 2]" 1
167 1 20 LEU H 1 21 LEU H . . 3.140 2.793 2.775 2.809 . 0 0 "[ . 1 . 2]" 1
168 1 20 LEU H 1 23 VAL MG2 . . 6.150 3.796 3.759 3.859 . 0 0 "[ . 1 . 2]" 1
169 1 20 LEU HA 1 21 LEU H . . 3.580 3.514 3.501 3.532 . 0 0 "[ . 1 . 2]" 1
170 1 20 LEU HA 1 23 VAL H . . 3.570 3.558 3.542 3.572 0.002 1 0 "[ . 1 . 2]" 1
171 1 20 LEU HA 1 23 VAL HB . . 3.080 2.655 2.630 2.677 . 0 0 "[ . 1 . 2]" 1
172 1 20 LEU HA 1 23 VAL MG1 . . 5.030 3.981 3.937 4.024 . 0 0 "[ . 1 . 2]" 1
173 1 20 LEU HA 1 23 VAL MG2 . . 4.570 2.452 2.422 2.509 . 0 0 "[ . 1 . 2]" 1
174 1 20 LEU HA 1 24 LEU H . . 3.580 3.705 3.691 3.716 0.136 1 0 "[ . 1 . 2]" 1
175 1 21 LEU H 1 21 LEU HA . . 2.900 2.807 2.791 2.816 . 0 0 "[ . 1 . 2]" 1
176 1 21 LEU H 1 21 LEU HB2 . . 2.680 2.184 2.107 2.231 . 0 0 "[ . 1 . 2]" 1
177 1 21 LEU H 1 21 LEU MD2 . . 4.660 3.605 2.074 3.991 . 0 0 "[ . 1 . 2]" 1
178 1 21 LEU H 1 22 VAL H . . 3.270 2.758 2.738 2.798 . 0 0 "[ . 1 . 2]" 1
179 1 21 LEU H 1 24 LEU H . . 4.800 4.799 4.792 4.808 0.008 16 0 "[ . 1 . 2]" 1
180 1 21 LEU HA 1 24 LEU H . . 3.820 3.938 3.927 3.945 0.125 17 0 "[ . 1 . 2]" 1
181 1 21 LEU HB2 1 22 VAL H . . 3.140 2.643 2.581 2.751 . 0 0 "[ . 1 . 2]" 1
182 1 21 LEU HB3 1 22 VAL H . . 3.730 3.092 2.916 3.210 . 0 0 "[ . 1 . 2]" 1
183 1 22 VAL H 1 22 VAL HA . . 3.020 2.829 2.825 2.835 . 0 0 "[ . 1 . 2]" 1
184 1 22 VAL H 1 22 VAL HB . . 2.900 2.530 2.517 2.545 . 0 0 "[ . 1 . 2]" 1
185 1 22 VAL H 1 22 VAL MG1 . . 3.730 3.765 3.763 3.766 0.036 17 0 "[ . 1 . 2]" 1
186 1 22 VAL H 1 22 VAL MG2 . . 3.980 2.176 2.149 2.200 . 0 0 "[ . 1 . 2]" 1
187 1 22 VAL H 1 25 TYR HB3 . . 4.900 4.907 4.888 4.924 0.024 19 0 "[ . 1 . 2]" 1
188 1 22 VAL HA 1 23 VAL H . . 3.480 3.551 3.548 3.557 0.077 19 0 "[ . 1 . 2]" 1
189 1 22 VAL HA 1 25 TYR H . . 3.300 3.373 3.365 3.382 0.082 2 0 "[ . 1 . 2]" 1
190 1 22 VAL HA 1 25 TYR HB2 . . 2.990 3.009 2.999 3.018 0.028 14 0 "[ . 1 . 2]" 1
191 1 22 VAL HA 1 25 TYR HB3 . . 2.800 2.364 2.341 2.391 . 0 0 "[ . 1 . 2]" 1
192 1 22 VAL HA 1 26 HIS H . . 3.920 3.907 3.827 3.929 0.009 14 0 "[ . 1 . 2]" 1
193 1 22 VAL HB 1 23 VAL H . . 3.140 2.501 2.451 2.530 . 0 0 "[ . 1 . 2]" 1
194 1 23 VAL H 1 23 VAL HA . . 3.050 2.778 2.772 2.780 . 0 0 "[ . 1 . 2]" 1
195 1 23 VAL H 1 23 VAL HB . . 2.960 2.693 2.688 2.695 . 0 0 "[ . 1 . 2]" 1
196 1 23 VAL H 1 23 VAL MG1 . . 4.540 3.755 3.754 3.756 . 0 0 "[ . 1 . 2]" 1
197 1 23 VAL H 1 23 VAL MG2 . . 3.880 2.056 2.047 2.064 . 0 0 "[ . 1 . 2]" 1
198 1 23 VAL H 1 24 LEU H . . 3.140 2.867 2.861 2.873 . 0 0 "[ . 1 . 2]" 1
199 1 23 VAL H 1 25 TYR H . . 3.950 3.864 3.849 3.886 . 0 0 "[ . 1 . 2]" 1
200 1 23 VAL HA 1 24 LEU H . . 3.670 3.564 3.562 3.565 . 0 0 "[ . 1 . 2]" 1
201 1 23 VAL HA 1 26 HIS H . . 3.670 3.751 3.739 3.775 0.105 17 0 "[ . 1 . 2]" 1
202 1 23 VAL HB 1 24 LEU H . . 3.110 2.336 2.319 2.356 . 0 0 "[ . 1 . 2]" 1
203 1 23 VAL HB 1 25 TYR H . . 4.500 4.595 4.581 4.614 0.114 19 0 "[ . 1 . 2]" 1
204 1 23 VAL MG1 1 24 LEU H . . 4.440 3.418 3.392 3.459 . 0 0 "[ . 1 . 2]" 1
205 1 23 VAL MG2 1 24 LEU H . . 4.880 3.631 3.621 3.646 . 0 0 "[ . 1 . 2]" 1
206 1 24 LEU H 1 24 LEU HA . . 2.900 2.836 2.834 2.838 . 0 0 "[ . 1 . 2]" 1
207 1 24 LEU H 1 24 LEU HB2 . . 2.990 2.063 2.060 2.065 . 0 0 "[ . 1 . 2]" 1
208 1 24 LEU H 1 24 LEU HB3 . . 3.200 3.165 3.153 3.181 . 0 0 "[ . 1 . 2]" 1
209 1 24 LEU H 1 24 LEU HG . . 4.040 4.070 4.064 4.074 0.034 20 0 "[ . 1 . 2]" 1
210 1 24 LEU H 1 25 TYR H . . 3.110 2.544 2.540 2.549 . 0 0 "[ . 1 . 2]" 1
211 1 24 LEU H 1 25 TYR HB2 . . 4.800 4.830 4.818 4.838 0.038 5 0 "[ . 1 . 2]" 1
212 1 24 LEU H 1 25 TYR HB3 . . 4.800 4.849 4.830 4.873 0.073 10 0 "[ . 1 . 2]" 1
213 1 24 LEU H 1 26 HIS H . . 4.420 4.452 4.438 4.472 0.052 17 0 "[ . 1 . 2]" 1
214 1 24 LEU HA 1 27 TYR QD . . 3.670 3.677 3.672 3.689 0.019 10 0 "[ . 1 . 2]" 1
215 1 24 LEU HB2 1 25 TYR H . . 3.470 3.489 3.481 3.499 0.029 7 0 "[ . 1 . 2]" 1
216 1 24 LEU HG 1 25 TYR H . . 4.910 5.032 5.025 5.041 0.131 14 0 "[ . 1 . 2]" 1
217 1 25 TYR H 1 25 TYR HA . . 2.740 2.848 2.843 2.853 0.113 14 0 "[ . 1 . 2]" 1
218 1 25 TYR H 1 25 TYR HB2 . . 2.770 2.567 2.547 2.587 . 0 0 "[ . 1 . 2]" 1
219 1 25 TYR H 1 25 TYR HB3 . . 2.830 2.521 2.506 2.541 . 0 0 "[ . 1 . 2]" 1
220 1 25 TYR H 1 25 TYR HD1 . . 4.690 4.635 4.574 4.712 0.022 10 0 "[ . 1 . 2]" 1
221 1 25 TYR H 1 26 HIS H . . 3.390 2.628 2.613 2.644 . 0 0 "[ . 1 . 2]" 1
222 1 25 TYR H 1 26 HIS HB2 . . 4.500 4.452 4.428 4.491 . 0 0 "[ . 1 . 2]" 1
223 1 25 TYR HA 1 25 TYR HD1 . . 3.050 2.906 1.994 4.024 0.974 19 9 "[** . -* * . **+*]" 1
224 1 25 TYR HA 1 28 VAL HB . . 3.240 3.186 3.126 3.229 . 0 0 "[ . 1 . 2]" 1
225 1 25 TYR HA 1 29 ALA H . . 3.720 3.835 3.826 3.860 0.140 10 0 "[ . 1 . 2]" 1
226 1 25 TYR HB2 1 25 TYR HD1 . . 3.170 3.332 3.051 3.671 0.501 11 2 "[ . -+ . 2]" 1
227 1 25 TYR HB2 1 26 HIS H . . 3.780 3.770 3.737 3.782 0.002 9 0 "[ . 1 . 2]" 1
228 1 25 TYR HB3 1 25 TYR HD1 . . 3.550 3.134 2.447 3.697 0.147 8 0 "[ . 1 . 2]" 1
229 1 25 TYR HB3 1 26 HIS H . . 3.170 2.417 2.377 2.432 . 0 0 "[ . 1 . 2]" 1
230 1 26 HIS H 1 26 HIS HA . . 2.860 2.824 2.812 2.828 . 0 0 "[ . 1 . 2]" 1
231 1 26 HIS H 1 26 HIS HB2 . . 2.800 2.105 2.074 2.180 . 0 0 "[ . 1 . 2]" 1
232 1 26 HIS H 1 27 TYR H . . 3.580 2.639 2.623 2.657 . 0 0 "[ . 1 . 2]" 1
233 1 26 HIS H 1 29 ALA H . . 4.570 4.614 4.604 4.625 0.055 17 0 "[ . 1 . 2]" 1
234 1 26 HIS HA 1 29 ALA MB . . 3.980 2.399 2.353 2.432 . 0 0 "[ . 1 . 2]" 1
235 1 26 HIS HA 1 30 VAL H . . 3.970 4.080 4.068 4.108 0.138 10 0 "[ . 1 . 2]" 1
236 1 26 HIS HB2 1 27 TYR H . . 3.110 2.996 2.852 3.090 . 0 0 "[ . 1 . 2]" 1
237 1 27 TYR H 1 27 TYR HA . . 2.900 2.814 2.810 2.824 . 0 0 "[ . 1 . 2]" 1
238 1 27 TYR H 1 27 TYR HB2 . . 2.860 2.750 2.744 2.776 . 0 0 "[ . 1 . 2]" 1
239 1 27 TYR H 1 27 TYR HB3 . . 2.830 2.331 2.314 2.337 . 0 0 "[ . 1 . 2]" 1
240 1 27 TYR H 1 27 TYR QD . . 4.370 4.118 4.105 4.124 . 0 0 "[ . 1 . 2]" 1
241 1 27 TYR HA 1 27 TYR QD . . 4.200 2.999 2.964 3.016 . 0 0 "[ . 1 . 2]" 1
242 1 27 TYR HA 1 30 VAL H . . 3.580 3.596 3.564 3.605 0.025 6 0 "[ . 1 . 2]" 1
243 1 27 TYR HA 1 30 VAL HB . . 3.520 3.071 3.028 3.155 . 0 0 "[ . 1 . 2]" 1
244 1 27 TYR HA 1 31 ASN H . . 4.170 4.223 4.188 4.238 0.068 13 0 "[ . 1 . 2]" 1
245 1 27 TYR HA 1 31 ASN HD21 . . 4.230 3.459 3.420 3.482 . 0 0 "[ . 1 . 2]" 1
246 1 27 TYR HA 1 31 ASN HD22 . . 4.850 4.828 4.766 4.869 0.019 20 0 "[ . 1 . 2]" 1
247 1 27 TYR HB3 1 27 TYR QD . . 2.740 2.392 2.376 2.399 . 0 0 "[ . 1 . 2]" 1
248 1 27 TYR HB3 1 28 VAL H . . 3.360 2.388 2.364 2.398 . 0 0 "[ . 1 . 2]" 1
249 1 27 TYR HB3 1 28 VAL MG2 . . 4.810 3.182 3.146 3.203 . 0 0 "[ . 1 . 2]" 1
250 1 27 TYR QD 1 28 VAL H . . 4.510 2.526 2.484 2.549 . 0 0 "[ . 1 . 2]" 1
251 1 27 TYR QD 1 28 VAL HA . . 3.520 2.943 2.913 3.032 . 0 0 "[ . 1 . 2]" 1
252 1 28 VAL H 1 28 VAL HA . . 2.900 2.809 2.805 2.812 . 0 0 "[ . 1 . 2]" 1
253 1 28 VAL H 1 28 VAL HB . . 2.770 2.500 2.492 2.513 . 0 0 "[ . 1 . 2]" 1
254 1 28 VAL H 1 28 VAL MG1 . . 4.190 3.759 3.758 3.761 . 0 0 "[ . 1 . 2]" 1
255 1 28 VAL H 1 29 ALA H . . 3.110 2.668 2.638 2.680 . 0 0 "[ . 1 . 2]" 1
256 1 28 VAL H 1 30 VAL H . . 4.100 4.113 4.105 4.132 0.032 17 0 "[ . 1 . 2]" 1
257 1 28 VAL HA 1 29 ALA H . . 3.570 3.523 3.504 3.529 . 0 0 "[ . 1 . 2]" 1
258 1 28 VAL HA 1 29 ALA MB . . 5.870 5.019 5.011 5.023 . 0 0 "[ . 1 . 2]" 1
259 1 28 VAL HA 1 31 ASN H . . 3.670 3.217 3.204 3.253 . 0 0 "[ . 1 . 2]" 1
260 1 28 VAL HA 1 31 ASN HB2 . . 3.700 2.541 2.498 2.651 . 0 0 "[ . 1 . 2]" 1
261 1 28 VAL HA 1 31 ASN HB3 . . 3.420 3.475 3.466 3.521 0.101 20 0 "[ . 1 . 2]" 1
262 1 28 VAL HA 1 32 ASN H . . 3.730 3.805 3.736 3.828 0.098 11 0 "[ . 1 . 2]" 1
263 1 28 VAL HA 1 32 ASN HB2 . . 4.230 4.426 4.366 4.686 0.456 10 0 "[ . 1 . 2]" 1
264 1 28 VAL HB 1 29 ALA H . . 2.800 2.711 2.684 2.811 0.011 10 0 "[ . 1 . 2]" 1
265 1 28 VAL MG1 1 29 ALA HA . . 4.630 3.468 3.374 3.576 . 0 0 "[ . 1 . 2]" 1
266 1 29 ALA H 1 29 ALA HA . . 2.850 2.824 2.820 2.837 . 0 0 "[ . 1 . 2]" 1
267 1 29 ALA H 1 29 ALA MB . . 3.420 2.201 2.184 2.229 . 0 0 "[ . 1 . 2]" 1
268 1 29 ALA H 1 30 VAL H . . 2.930 2.603 2.557 2.617 . 0 0 "[ . 1 . 2]" 1
269 1 29 ALA HA 1 30 VAL H . . 3.510 3.505 3.498 3.509 . 0 0 "[ . 1 . 2]" 1
270 1 29 ALA HA 1 32 ASN H . . 3.610 3.632 3.579 3.677 0.067 17 0 "[ . 1 . 2]" 1
271 1 29 ALA HA 1 32 ASN HB2 . . 3.170 3.167 2.711 3.272 0.102 20 0 "[ . 1 . 2]" 1
272 1 29 ALA MB 1 30 VAL H . . 3.880 2.739 2.714 2.757 . 0 0 "[ . 1 . 2]" 1
273 1 29 ALA MB 1 30 VAL HA . . 4.720 3.923 3.911 3.945 . 0 0 "[ . 1 . 2]" 1
274 1 29 ALA MB 1 31 ASN H . . 6.270 4.408 4.383 4.428 . 0 0 "[ . 1 . 2]" 1
275 1 30 VAL H 1 30 VAL HA . . 2.950 2.905 2.901 2.913 . 0 0 "[ . 1 . 2]" 1
276 1 30 VAL H 1 30 VAL HB . . 2.680 2.463 2.457 2.471 . 0 0 "[ . 1 . 2]" 1
277 1 30 VAL H 1 31 ASN H . . 3.080 2.281 2.237 2.304 . 0 0 "[ . 1 . 2]" 1
278 1 30 VAL HA 1 31 ASN H . . 3.410 3.449 3.437 3.453 0.043 9 0 "[ . 1 . 2]" 1
279 1 30 VAL HA 1 32 ASN H . . 4.030 4.086 4.035 4.102 0.072 11 0 "[ . 1 . 2]" 1
280 1 30 VAL HB 1 31 ASN H . . 3.300 3.052 3.036 3.090 . 0 0 "[ . 1 . 2]" 1
281 1 30 VAL HB 1 31 ASN HD22 . . 5.500 5.013 4.984 5.047 . 0 0 "[ . 1 . 2]" 1
282 1 30 VAL QG 1 31 ASN H . . 6.390 3.426 3.405 3.450 . 0 0 "[ . 1 . 2]" 1
283 1 30 VAL QG 1 31 ASN HD21 . . 7.290 3.946 3.916 4.007 . 0 0 "[ . 1 . 2]" 1
284 1 30 VAL QG 1 31 ASN HD22 . . 7.170 4.469 4.432 4.506 . 0 0 "[ . 1 . 2]" 1
285 1 30 VAL QG 1 32 ASN H . . 7.260 4.508 4.467 4.526 . 0 0 "[ . 1 . 2]" 1
286 1 31 ASN H 1 31 ASN HB2 . . 3.080 2.176 2.167 2.197 . 0 0 "[ . 1 . 2]" 1
287 1 31 ASN H 1 31 ASN HB3 . . 3.360 3.364 3.357 3.375 0.015 10 0 "[ . 1 . 2]" 1
288 1 31 ASN H 1 32 ASN H . . 3.080 2.247 2.203 2.263 . 0 0 "[ . 1 . 2]" 1
289 1 31 ASN H 1 32 ASN HB2 . . 4.300 4.342 4.020 4.444 0.144 20 0 "[ . 1 . 2]" 1
290 1 31 ASN HB2 1 31 ASN HD21 . . 3.580 2.183 2.160 2.193 . 0 0 "[ . 1 . 2]" 1
291 1 31 ASN HB3 1 31 ASN HD21 . . 3.390 3.419 3.392 3.430 0.040 15 0 "[ . 1 . 2]" 1
292 1 31 ASN HB3 1 31 ASN HD22 . . 4.100 4.027 4.013 4.033 . 0 0 "[ . 1 . 2]" 1
293 1 32 ASN H 1 32 ASN HA . . 3.000 2.930 2.821 2.947 . 0 0 "[ . 1 . 2]" 1
294 1 32 ASN H 1 32 ASN HB2 . . 2.400 2.417 2.098 2.560 0.160 20 0 "[ . 1 . 2]" 1
295 1 32 ASN HA 1 34 LYS H . . 4.000 3.605 3.252 3.934 . 0 0 "[ . 1 . 2]" 1
296 1 32 ASN HB2 1 32 ASN HD21 . . 3.210 2.641 2.533 2.729 . 0 0 "[ . 1 . 2]" 1
297 1 32 ASN HB2 1 32 ASN HD22 . . 3.680 3.651 3.603 3.689 0.009 13 0 "[ . 1 . 2]" 1
298 1 32 ASN HB2 1 34 LYS H . . 3.700 3.788 3.751 4.012 0.312 20 0 "[ . 1 . 2]" 1
299 1 32 ASN HB2 1 35 LYS H . . 4.190 4.327 4.197 4.405 0.215 17 0 "[ . 1 . 2]" 1
300 1 33 PRO HA 1 34 LYS H . . 3.560 3.400 3.320 3.451 . 0 0 "[ . 1 . 2]" 1
301 1 33 PRO HA 1 35 LYS H . . 5.000 4.437 4.189 4.542 . 0 0 "[ . 1 . 2]" 1
302 1 34 LYS H 1 34 LYS HA . . 2.830 2.940 2.936 2.948 0.118 13 0 "[ . 1 . 2]" 1
303 1 34 LYS H 1 34 LYS HB2 . . 2.860 2.825 2.505 2.884 0.024 20 0 "[ . 1 . 2]" 1
304 1 34 LYS H 1 34 LYS HD2 . . 2.990 2.807 2.767 3.020 0.030 11 0 "[ . 1 . 2]" 1
305 1 34 LYS H 1 34 LYS HG2 . . 4.290 4.357 4.333 4.483 0.193 11 0 "[ . 1 . 2]" 1
306 1 34 LYS H 1 34 LYS HG3 . . 4.260 3.147 3.032 4.051 . 0 0 "[ . 1 . 2]" 1
307 1 34 LYS H 1 35 LYS H . . 3.210 3.130 2.792 3.255 0.045 13 0 "[ . 1 . 2]" 1
308 1 34 LYS HA 1 35 LYS H . . 2.650 2.540 2.489 2.687 0.037 20 0 "[ . 1 . 2]" 1
309 1 35 LYS H 1 35 LYS HA . . 2.860 2.743 2.735 2.784 . 0 0 "[ . 1 . 2]" 1
310 1 35 LYS H 1 35 LYS HB2 . . 2.830 2.754 2.427 2.808 . 0 0 "[ . 1 . 2]" 1
311 1 35 LYS H 1 35 LYS HB3 . . 3.500 3.572 3.564 3.582 0.082 20 0 "[ . 1 . 2]" 1
312 1 35 LYS H 1 35 LYS HD2 . . 4.380 2.497 1.946 4.479 0.099 20 0 "[ . 1 . 2]" 1
313 1 35 LYS H 1 35 LYS HG3 . . 3.110 2.279 2.156 3.202 0.092 20 0 "[ . 1 . 2]" 1
314 1 35 LYS HA 1 36 GLN H . . 2.620 2.422 2.397 2.575 . 0 0 "[ . 1 . 2]" 1
315 1 35 LYS HB2 1 36 GLN H . . 3.390 3.414 3.392 3.431 0.041 17 0 "[ . 1 . 2]" 1
316 1 35 LYS HB3 1 36 GLN H . . 3.330 2.451 2.067 2.524 . 0 0 "[ . 1 . 2]" 1
317 1 36 GLN H 1 36 GLN HA . . 3.050 2.793 2.758 2.942 . 0 0 "[ . 1 . 2]" 1
318 1 36 GLN H 1 36 GLN HB2 . . 3.530 3.199 2.149 3.579 0.049 19 0 "[ . 1 . 2]" 1
319 1 36 GLN H 1 36 GLN HB3 . . 2.930 2.664 2.332 2.987 0.057 12 0 "[ . 1 . 2]" 1
320 1 36 GLN H 1 36 GLN HG2 . . 3.980 2.957 1.958 4.070 0.090 1 0 "[ . 1 . 2]" 1
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