NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
627843 |
5xq5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xq5
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 438
_Distance_constraint_stats_list.Viol_count 594
_Distance_constraint_stats_list.Viol_total 373.029
_Distance_constraint_stats_list.Viol_max 1.592
_Distance_constraint_stats_list.Viol_rms 0.0884
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0341
_Distance_constraint_stats_list.Viol_average_violations_only 0.1256
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 0.000 0.000 . 0 "[ .]"
1 3 ALA 0.000 0.000 . 0 "[ .]"
1 4 ASN 0.076 0.076 1 0 "[ .]"
1 6 TRP 0.355 0.161 3 0 "[ .]"
1 7 GLN 0.865 0.136 3 0 "[ .]"
1 8 GLN 0.865 0.161 3 0 "[ .]"
1 9 PHE 0.566 0.157 3 0 "[ .]"
1 10 ALA 0.204 0.101 3 0 "[ .]"
1 11 GLU 0.111 0.071 3 0 "[ .]"
1 12 THR 0.658 0.170 2 0 "[ .]"
1 13 HIS 0.630 0.170 2 0 "[ .]"
1 14 ASN 0.094 0.053 4 0 "[ .]"
1 15 LYS 1.608 0.306 5 0 "[ .]"
1 16 GLY 1.499 0.306 5 0 "[ .]"
1 17 ASP 0.980 0.144 1 0 "[ .]"
1 18 ARG 0.733 0.147 1 0 "[ .]"
1 19 VAL 0.385 0.108 2 0 "[ .]"
1 20 GLU 0.812 0.177 3 0 "[ .]"
1 21 GLY 3.811 0.439 3 0 "[ .]"
1 22 LYS 2.106 0.241 1 0 "[ .]"
1 23 ILE 0.757 0.231 3 0 "[ .]"
1 24 LYS 0.682 0.549 2 1 "[ + .]"
1 25 SER 2.930 0.549 2 1 "[ + .]"
1 26 ILE 9.772 1.592 5 5 [**-*+]
1 27 THR 9.495 1.592 5 5 [**-*+]
1 28 ASP 2.125 0.558 3 1 "[ + .]"
1 29 PHE 1.592 0.370 4 0 "[ .]"
1 30 GLY 3.012 0.370 4 0 "[ .]"
1 31 ILE 2.271 0.260 2 0 "[ .]"
1 32 PHE 3.007 0.260 2 0 "[ .]"
1 33 ILE 2.950 0.218 2 0 "[ .]"
1 34 GLY 1.983 0.316 5 0 "[ .]"
1 35 LEU 4.918 0.434 2 0 "[ .]"
1 36 ASP 2.039 0.434 2 0 "[ .]"
1 37 GLY 2.197 0.374 2 0 "[ .]"
1 38 GLY 2.382 0.374 2 0 "[ .]"
1 40 ASP 1.096 0.197 2 0 "[ .]"
1 41 GLY 3.051 0.244 5 0 "[ .]"
1 42 LEU 1.011 0.244 5 0 "[ .]"
1 43 VAL 0.838 0.242 4 0 "[ .]"
1 44 HIS 0.351 0.145 5 0 "[ .]"
1 45 LEU 0.609 0.201 2 0 "[ .]"
1 46 SER 1.395 0.261 5 0 "[ .]"
1 47 ASP 1.888 0.261 5 0 "[ .]"
1 48 ILE 2.621 0.304 3 0 "[ .]"
1 49 SER 3.241 0.458 3 0 "[ .]"
1 50 TRP 2.900 0.458 3 0 "[ .]"
1 51 ASN 2.286 0.276 3 0 "[ .]"
1 52 VAL 1.985 0.198 3 0 "[ .]"
1 53 ALA 0.587 0.155 4 0 "[ .]"
1 54 GLY 1.187 0.223 4 0 "[ .]"
1 55 GLU 0.959 0.223 4 0 "[ .]"
1 56 GLU 0.647 0.109 4 0 "[ .]"
1 57 ALA 0.156 0.069 1 0 "[ .]"
1 58 VAL 1.213 0.194 2 0 "[ .]"
1 59 ARG 2.006 0.312 1 0 "[ .]"
1 60 GLU 2.267 0.422 3 0 "[ .]"
1 61 TYR 1.527 0.422 3 0 "[ .]"
1 62 LYS 0.439 0.152 4 0 "[ .]"
1 63 LYS 0.777 0.291 5 0 "[ .]"
1 64 GLY 1.617 0.363 5 0 "[ .]"
1 65 ASP 2.831 0.363 5 0 "[ .]"
1 66 GLU 0.240 0.094 1 0 "[ .]"
1 67 ILE 1.228 0.439 3 0 "[ .]"
1 68 ALA 0.489 0.140 5 0 "[ .]"
1 69 ALA 0.550 0.174 2 0 "[ .]"
1 70 VAL 1.565 0.147 1 0 "[ .]"
1 71 VAL 1.933 0.527 1 1 "[+ .]"
1 72 LEU 3.400 0.527 1 1 "[+ .]"
1 73 GLN 1.649 0.404 2 0 "[ .]"
1 74 VAL 0.786 0.290 4 0 "[ .]"
1 75 ASP 3.459 0.290 4 0 "[ .]"
1 76 ALA 0.358 0.081 2 0 "[ .]"
1 77 GLU 1.319 0.213 1 0 "[ .]"
1 78 ARG 4.114 0.314 2 0 "[ .]"
1 79 GLU 2.855 0.261 4 0 "[ .]"
1 80 ARG 3.388 0.314 2 0 "[ .]"
1 81 ILE 2.323 0.229 1 0 "[ .]"
1 82 SER 1.957 0.233 1 0 "[ .]"
1 83 LEU 0.857 0.148 2 0 "[ .]"
1 84 GLY 2.196 0.234 1 0 "[ .]"
1 85 VAL 1.277 0.211 2 0 "[ .]"
1 86 LYS 0.755 0.122 2 0 "[ .]"
1 87 GLN 0.658 0.115 5 0 "[ .]"
1 88 LEU 0.676 0.122 2 0 "[ .]"
1 89 ALA 0.454 0.115 5 0 "[ .]"
1 90 GLU 0.280 0.101 2 0 "[ .]"
1 91 ASP 1.305 0.123 4 0 "[ .]"
1 93 PHE 1.025 0.123 4 0 "[ .]"
1 94 ASN 0.082 0.082 2 0 "[ .]"
1 95 ASN 0.082 0.082 2 0 "[ .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS HB2 1 3 ALA H . . 3.540 2.961 2.474 3.351 . 0 0 "[ .]" 1
2 1 3 ALA HA 1 4 ASN H . . 3.020 2.413 2.233 2.634 . 0 0 "[ .]" 1
3 1 4 ASN HA 1 6 TRP H . . 5.280 4.466 3.187 4.909 . 0 0 "[ .]" 1
4 1 4 ASN HB2 1 6 TRP H . . 4.560 4.469 4.337 4.636 0.076 1 0 "[ .]" 1
5 1 6 TRP H 1 7 GLN H . . 2.630 2.474 2.431 2.564 . 0 0 "[ .]" 1
6 1 6 TRP H 1 7 GLN HB2 . . 4.820 4.710 4.261 4.877 0.057 4 0 "[ .]" 1
7 1 6 TRP H 1 8 GLN H . . 4.350 4.174 3.956 4.511 0.161 3 0 "[ .]" 1
8 1 6 TRP HB3 1 7 GLN H . . 4.160 3.474 2.997 3.929 . 0 0 "[ .]" 1
9 1 6 TRP HB3 1 8 GLN H . . 5.530 5.339 5.121 5.535 0.005 3 0 "[ .]" 1
10 1 7 GLN H 1 8 GLN H . . 2.810 2.572 2.462 2.807 . 0 0 "[ .]" 1
11 1 7 GLN H 1 8 GLN HB2 . . 4.810 4.736 4.530 4.812 0.002 2 0 "[ .]" 1
12 1 7 GLN H 1 10 ALA H . . 5.530 5.269 4.562 5.523 . 0 0 "[ .]" 1
13 1 7 GLN HB2 1 8 GLN H . . 3.060 3.019 2.944 3.196 0.136 3 0 "[ .]" 1
14 1 7 GLN HG2 1 8 GLN H . . 4.360 4.397 4.193 4.464 0.104 2 0 "[ .]" 1
15 1 7 GLN HG2 1 9 PHE H . . 5.790 5.842 5.819 5.863 0.073 2 0 "[ .]" 1
16 1 8 GLN H 1 9 PHE H . . 2.470 2.454 2.295 2.627 0.157 3 0 "[ .]" 1
17 1 8 GLN H 1 9 PHE HB2 . . 4.610 4.390 4.234 4.495 . 0 0 "[ .]" 1
18 1 8 GLN H 1 10 ALA H . . 4.190 4.184 4.147 4.204 0.014 2 0 "[ .]" 1
19 1 8 GLN HA 1 11 GLU H . . 3.940 3.120 2.945 3.536 . 0 0 "[ .]" 1
20 1 8 GLN HB2 1 9 PHE H . . 3.170 3.028 2.962 3.099 . 0 0 "[ .]" 1
21 1 8 GLN HG2 1 9 PHE H . . 4.900 4.754 4.498 4.901 0.001 1 0 "[ .]" 1
22 1 8 GLN HG2 1 10 ALA H . . 6.080 5.937 5.789 6.064 . 0 0 "[ .]" 1
23 1 9 PHE H 1 10 ALA H . . 2.830 2.633 2.391 2.742 . 0 0 "[ .]" 1
24 1 9 PHE H 1 10 ALA HA . . 5.380 5.292 5.074 5.396 0.016 2 0 "[ .]" 1
25 1 9 PHE HA 1 10 ALA H . . 3.610 3.517 3.482 3.559 . 0 0 "[ .]" 1
26 1 9 PHE HB2 1 10 ALA H . . 3.160 3.129 3.017 3.261 0.101 3 0 "[ .]" 1
27 1 9 PHE HB2 1 11 GLU H . . 5.210 5.104 5.000 5.189 . 0 0 "[ .]" 1
28 1 10 ALA H 1 11 GLU H . . 2.870 2.400 2.351 2.534 . 0 0 "[ .]" 1
29 1 10 ALA H 1 11 GLU HA . . 5.450 5.013 4.977 5.042 . 0 0 "[ .]" 1
30 1 10 ALA H 1 11 GLU HB2 . . 5.360 4.791 4.691 5.023 . 0 0 "[ .]" 1
31 1 10 ALA H 1 11 GLU HG2 . . 4.060 3.585 3.492 3.689 . 0 0 "[ .]" 1
32 1 10 ALA H 1 12 THR H . . 4.360 4.066 3.901 4.394 0.034 3 0 "[ .]" 1
33 1 10 ALA H 1 13 HIS H . . 5.490 5.333 5.084 5.505 0.015 1 0 "[ .]" 1
34 1 10 ALA HA 1 11 GLU H . . 3.620 3.472 3.433 3.509 . 0 0 "[ .]" 1
35 1 11 GLU H 1 12 THR H . . 2.590 2.428 2.176 2.661 0.071 3 0 "[ .]" 1
36 1 11 GLU HA 1 12 THR H . . 3.630 3.490 3.468 3.545 . 0 0 "[ .]" 1
37 1 11 GLU HA 1 13 HIS H . . 3.710 3.527 3.414 3.722 0.012 5 0 "[ .]" 1
38 1 11 GLU HB2 1 12 THR H . . 3.040 2.952 2.778 3.020 . 0 0 "[ .]" 1
39 1 11 GLU HG2 1 12 THR H . . 4.170 4.160 4.132 4.198 0.028 1 0 "[ .]" 1
40 1 12 THR H 1 13 HIS HA . . 4.900 4.920 4.806 5.070 0.170 2 0 "[ .]" 1
41 1 12 THR H 1 13 HIS HB3 . . 4.590 4.554 4.411 4.741 0.151 2 0 "[ .]" 1
42 1 12 THR H 1 40 ASP H . . 4.700 4.656 4.604 4.692 . 0 0 "[ .]" 1
43 1 12 THR HA 1 13 HIS H . . 3.340 3.203 3.153 3.273 . 0 0 "[ .]" 1
44 1 12 THR HB 1 13 HIS H . . 4.540 4.489 4.464 4.503 . 0 0 "[ .]" 1
45 1 13 HIS H 1 14 ASN H . . 2.810 2.548 2.236 2.824 0.014 5 0 "[ .]" 1
46 1 13 HIS H 1 14 ASN HA . . 5.360 4.958 4.817 5.216 . 0 0 "[ .]" 1
47 1 13 HIS HA 1 14 ASN H . . 3.580 3.285 2.907 3.451 . 0 0 "[ .]" 1
48 1 13 HIS HB3 1 14 ASN H . . 4.190 3.977 3.182 4.243 0.053 4 0 "[ .]" 1
49 1 14 ASN H 1 15 LYS H . . 4.750 4.573 4.485 4.626 . 0 0 "[ .]" 1
50 1 14 ASN HA 1 15 LYS H . . 2.640 2.487 2.380 2.603 . 0 0 "[ .]" 1
51 1 14 ASN HB3 1 15 LYS H . . 2.390 2.354 2.322 2.405 0.015 4 0 "[ .]" 1
52 1 15 LYS H 1 16 GLY H . . 3.980 3.717 3.666 3.779 . 0 0 "[ .]" 1
53 1 15 LYS H 1 16 GLY HA2 . . 5.180 5.454 5.429 5.486 0.306 5 0 "[ .]" 1
54 1 15 LYS H 1 17 ASP H . . 3.890 3.770 3.710 3.837 . 0 0 "[ .]" 1
55 1 15 LYS HA 1 16 GLY H . . 2.300 2.141 2.130 2.160 . 0 0 "[ .]" 1
56 1 15 LYS HA 1 17 ASP H . . 3.660 3.533 3.491 3.563 . 0 0 "[ .]" 1
57 1 15 LYS HB2 1 16 GLY H . . 3.760 3.605 3.551 3.661 . 0 0 "[ .]" 1
58 1 15 LYS HB2 1 72 LEU H . . 5.530 5.575 5.564 5.584 0.054 4 0 "[ .]" 1
59 1 16 GLY H 1 17 ASP H . . 2.310 2.061 2.034 2.081 . 0 0 "[ .]" 1
60 1 16 GLY H 1 17 ASP HB2 . . 4.700 4.668 4.499 4.747 0.047 4 0 "[ .]" 1
61 1 16 GLY H 1 71 VAL H . . 3.970 3.850 3.625 3.992 0.022 4 0 "[ .]" 1
62 1 16 GLY H 1 72 LEU H . . 4.910 4.785 4.537 4.936 0.026 5 0 "[ .]" 1
63 1 16 GLY HA2 1 17 ASP H . . 3.370 3.238 3.231 3.248 . 0 0 "[ .]" 1
64 1 17 ASP H 1 18 ARG H . . 4.600 4.429 4.356 4.487 . 0 0 "[ .]" 1
65 1 17 ASP H 1 70 VAL HA . . 4.940 5.035 5.001 5.077 0.137 2 0 "[ .]" 1
66 1 17 ASP H 1 71 VAL H . . 3.660 3.551 3.393 3.714 0.054 2 0 "[ .]" 1
67 1 17 ASP H 1 71 VAL MG1 . . 2.670 2.526 2.108 2.814 0.144 1 0 "[ .]" 1
68 1 17 ASP HA 1 18 ARG H . . 2.720 2.607 2.520 2.699 . 0 0 "[ .]" 1
69 1 17 ASP HB2 1 18 ARG H . . 2.870 2.862 2.737 2.926 0.056 2 0 "[ .]" 1
70 1 18 ARG H 1 19 VAL H . . 4.700 4.348 4.267 4.395 . 0 0 "[ .]" 1
71 1 18 ARG H 1 19 VAL HA . . 5.420 4.933 4.832 4.999 . 0 0 "[ .]" 1
72 1 18 ARG H 1 70 VAL HA . . 4.510 4.637 4.619 4.657 0.147 1 0 "[ .]" 1
73 1 18 ARG H 1 71 VAL MG1 . . 4.850 4.511 4.179 4.799 . 0 0 "[ .]" 1
74 1 18 ARG HA 1 19 VAL H . . 2.390 2.092 2.071 2.118 . 0 0 "[ .]" 1
75 1 18 ARG HA 1 70 VAL H . . 4.650 4.502 4.445 4.571 . 0 0 "[ .]" 1
76 1 18 ARG HA 1 71 VAL H . . 3.580 3.425 3.382 3.516 . 0 0 "[ .]" 1
77 1 18 ARG HB2 1 19 VAL H . . 4.080 3.419 3.221 4.070 . 0 0 "[ .]" 1
78 1 19 VAL H 1 20 GLU H . . 4.510 4.443 4.425 4.461 . 0 0 "[ .]" 1
79 1 19 VAL H 1 20 GLU HA . . 4.820 4.897 4.878 4.928 0.108 2 0 "[ .]" 1
80 1 19 VAL H 1 69 ALA H . . 3.610 3.379 3.282 3.518 . 0 0 "[ .]" 1
81 1 19 VAL H 1 71 VAL H . . 4.250 4.010 3.822 4.246 . 0 0 "[ .]" 1
82 1 19 VAL HA 1 20 GLU H . . 2.790 2.609 2.588 2.641 . 0 0 "[ .]" 1
83 1 19 VAL HB 1 20 GLU H . . 2.090 2.004 1.986 2.038 . 0 0 "[ .]" 1
84 1 20 GLU HA 1 21 GLY H . . 2.420 2.165 2.137 2.216 . 0 0 "[ .]" 1
85 1 20 GLU HA 1 69 ALA H . . 3.280 3.238 3.201 3.284 0.004 2 0 "[ .]" 1
86 1 20 GLU HB3 1 21 GLY H . . 3.190 3.113 2.939 3.194 0.004 1 0 "[ .]" 1
87 1 20 GLU HG2 1 21 GLY H . . 3.230 3.309 3.212 3.407 0.177 3 0 "[ .]" 1
88 1 20 GLU HG2 1 69 ALA H . . 4.310 4.295 4.278 4.318 0.008 5 0 "[ .]" 1
89 1 21 GLY H 1 22 LYS H . . 4.350 4.522 4.435 4.591 0.241 1 0 "[ .]" 1
90 1 21 GLY H 1 67 ILE H . . 3.290 2.467 2.410 2.530 . 0 0 "[ .]" 1
91 1 21 GLY H 1 68 ALA H . . 4.960 4.356 4.298 4.492 . 0 0 "[ .]" 1
92 1 21 GLY H 1 68 ALA HA . . 3.160 3.253 3.219 3.300 0.140 5 0 "[ .]" 1
93 1 21 GLY H 1 68 ALA MB . . 4.440 4.282 4.143 4.465 0.025 3 0 "[ .]" 1
94 1 21 GLY H 1 69 ALA H . . 4.480 4.576 4.521 4.654 0.174 2 0 "[ .]" 1
95 1 21 GLY H 1 69 ALA MB . . 5.520 5.302 4.904 5.580 0.060 4 0 "[ .]" 1
96 1 21 GLY HA2 1 22 LYS H . . 2.440 2.361 2.113 2.586 0.146 3 0 "[ .]" 1
97 1 21 GLY HA2 1 67 ILE H . . 3.730 3.976 3.831 4.169 0.439 3 0 "[ .]" 1
98 1 22 LYS H 1 23 ILE H . . 4.570 4.431 4.279 4.586 0.016 1 0 "[ .]" 1
99 1 22 LYS H 1 33 ILE H . . 5.030 5.140 5.064 5.248 0.218 2 0 "[ .]" 1
100 1 22 LYS H 1 67 ILE H . . 5.160 4.544 4.145 5.007 . 0 0 "[ .]" 1
101 1 22 LYS HB2 1 23 ILE H . . 2.890 2.971 2.920 3.058 0.168 2 0 "[ .]" 1
102 1 23 ILE H 1 24 LYS H . . 2.550 2.462 2.431 2.501 . 0 0 "[ .]" 1
103 1 23 ILE H 1 65 ASP H . . 3.310 3.357 3.228 3.541 0.231 3 0 "[ .]" 1
104 1 23 ILE HA 1 25 SER H . . 3.740 3.266 3.190 3.343 . 0 0 "[ .]" 1
105 1 24 LYS H 1 25 SER H . . 2.810 2.755 2.715 2.803 . 0 0 "[ .]" 1
106 1 24 LYS H 1 64 GLY H . . 3.980 3.843 3.551 4.113 0.133 4 0 "[ .]" 1
107 1 24 LYS HE2 1 25 SER H . . 3.920 3.747 3.054 4.469 0.549 2 1 "[ + .]" 1
108 1 25 SER H 1 26 ILE H . . 4.150 4.419 4.350 4.489 0.339 1 0 "[ .]" 1
109 1 25 SER HA 1 26 ILE H . . 2.490 2.697 2.644 2.765 0.275 5 0 "[ .]" 1
110 1 25 SER HB2 1 26 ILE H . . 4.320 2.800 1.949 3.635 . 0 0 "[ .]" 1
111 1 26 ILE H 1 27 THR H . . 4.530 4.479 4.403 4.596 0.066 5 0 "[ .]" 1
112 1 26 ILE H 1 27 THR HA . . 5.010 4.957 4.753 5.216 0.206 5 0 "[ .]" 1
113 1 26 ILE H 1 27 THR HG1 . . 5.970 6.909 6.574 7.562 1.592 5 5 [*-**+] 1
114 1 26 ILE HA 1 27 THR H . . 2.440 2.350 2.241 2.414 . 0 0 "[ .]" 1
115 1 26 ILE HB 1 27 THR H . . 2.810 2.857 2.395 3.315 0.505 3 1 "[ + .]" 1
116 1 26 ILE HG12 1 27 THR H . . 3.920 4.206 4.003 4.481 0.561 3 2 "[- + .]" 1
117 1 27 THR H 1 29 PHE H . . 5.040 4.504 4.294 4.745 . 0 0 "[ .]" 1
118 1 27 THR HA 1 28 ASP H . . 2.400 2.287 2.224 2.334 . 0 0 "[ .]" 1
119 1 27 THR HA 1 29 PHE H . . 3.410 3.165 3.123 3.238 . 0 0 "[ .]" 1
120 1 27 THR HG1 1 28 ASP H . . 4.410 4.831 4.607 4.968 0.558 3 1 "[ + .]" 1
121 1 28 ASP H 1 29 PHE H . . 2.710 2.621 2.548 2.707 . 0 0 "[ .]" 1
122 1 28 ASP H 1 29 PHE HA . . 5.310 5.241 5.161 5.331 0.021 5 0 "[ .]" 1
123 1 28 ASP H 1 30 GLY H . . 4.010 3.819 3.636 3.983 . 0 0 "[ .]" 1
124 1 28 ASP HB3 1 29 PHE H . . 4.180 4.008 3.951 4.096 . 0 0 "[ .]" 1
125 1 29 PHE H 1 30 GLY H . . 2.250 2.025 1.866 2.213 . 0 0 "[ .]" 1
126 1 29 PHE H 1 30 GLY HA3 . . 4.210 4.524 4.443 4.580 0.370 4 0 "[ .]" 1
127 1 29 PHE HB2 1 30 GLY H . . 4.310 4.162 4.061 4.228 . 0 0 "[ .]" 1
128 1 30 GLY H 1 31 ILE H . . 3.480 2.940 2.900 2.957 . 0 0 "[ .]" 1
129 1 30 GLY H 1 31 ILE HB . . 5.950 5.229 4.966 5.577 . 0 0 "[ .]" 1
130 1 30 GLY H 1 31 ILE HG12 . . 5.000 5.150 5.065 5.203 0.203 5 0 "[ .]" 1
131 1 30 GLY HA2 1 31 ILE H . . 2.500 2.282 2.254 2.301 . 0 0 "[ .]" 1
132 1 30 GLY HA2 1 32 PHE H . . 5.600 5.738 5.651 5.783 0.183 4 0 "[ .]" 1
133 1 31 ILE H 1 32 PHE H . . 4.480 4.396 3.924 4.528 0.048 3 0 "[ .]" 1
134 1 31 ILE H 1 32 PHE HA . . 5.760 5.359 5.168 5.449 . 0 0 "[ .]" 1
135 1 31 ILE H 1 43 VAL H . . 3.160 3.272 3.182 3.402 0.242 4 0 "[ .]" 1
136 1 31 ILE HB 1 32 PHE H . . 4.640 3.842 1.764 4.434 . 0 0 "[ .]" 1
137 1 31 ILE HG12 1 32 PHE H . . 4.010 4.175 4.052 4.270 0.260 2 0 "[ .]" 1
138 1 32 PHE H 1 33 ILE H . . 4.340 4.417 4.154 4.537 0.197 4 0 "[ .]" 1
139 1 32 PHE H 1 33 ILE HA . . 4.970 5.045 4.794 5.161 0.191 4 0 "[ .]" 1
140 1 32 PHE H 1 43 VAL H . . 5.250 4.809 4.447 5.093 . 0 0 "[ .]" 1
141 1 32 PHE HA 1 33 ILE H . . 2.300 2.172 2.153 2.199 . 0 0 "[ .]" 1
142 1 32 PHE HA 1 41 GLY H . . 4.380 4.231 3.967 4.429 0.049 5 0 "[ .]" 1
143 1 32 PHE HA 1 43 VAL H . . 4.260 3.865 3.548 4.300 0.040 5 0 "[ .]" 1
144 1 32 PHE HB2 1 33 ILE H . . 4.110 3.926 3.301 4.176 0.066 5 0 "[ .]" 1
145 1 33 ILE H 1 34 GLY H . . 4.400 4.142 3.993 4.260 . 0 0 "[ .]" 1
146 1 33 ILE H 1 41 GLY H . . 2.510 2.602 2.421 2.686 0.176 5 0 "[ .]" 1
147 1 33 ILE H 1 41 GLY HA2 . . 4.140 4.261 4.148 4.348 0.208 4 0 "[ .]" 1
148 1 33 ILE H 1 42 LEU HA . . 3.950 3.535 3.239 3.964 0.014 3 0 "[ .]" 1
149 1 33 ILE HA 1 34 GLY H . . 2.310 2.146 2.136 2.158 . 0 0 "[ .]" 1
150 1 34 GLY H 1 35 LEU H . . 4.090 4.363 4.280 4.406 0.316 5 0 "[ .]" 1
151 1 34 GLY H 1 40 ASP HA . . 4.620 4.270 4.115 4.367 . 0 0 "[ .]" 1
152 1 34 GLY HA2 1 35 LEU H . . 2.410 2.468 2.082 2.602 0.192 1 0 "[ .]" 1
153 1 34 GLY HA2 1 41 GLY H . . 4.100 3.817 3.602 3.995 . 0 0 "[ .]" 1
154 1 35 LEU H 1 36 ASP H . . 4.790 4.531 4.386 4.688 . 0 0 "[ .]" 1
155 1 35 LEU H 1 38 GLY H . . 3.550 3.539 3.268 3.660 0.110 2 0 "[ .]" 1
156 1 35 LEU H 1 40 ASP H . . 5.250 4.975 4.448 5.245 . 0 0 "[ .]" 1
157 1 35 LEU H 1 40 ASP HA . . 3.680 3.754 3.719 3.821 0.141 2 0 "[ .]" 1
158 1 35 LEU H 1 41 GLY H . . 5.510 5.561 5.436 5.686 0.176 5 0 "[ .]" 1
159 1 35 LEU HA 1 36 ASP H . . 2.600 2.517 2.400 2.677 0.077 5 0 "[ .]" 1
160 1 35 LEU HA 1 37 GLY H . . 4.590 4.478 4.244 4.597 0.007 5 0 "[ .]" 1
161 1 35 LEU HB2 1 36 ASP H . . 3.480 3.811 3.677 3.914 0.434 2 0 "[ .]" 1
162 1 35 LEU HB3 1 36 ASP H . . 3.480 3.091 2.361 3.593 0.113 2 0 "[ .]" 1
163 1 35 LEU HG 1 36 ASP H . . 2.100 2.038 1.872 2.130 0.030 2 0 "[ .]" 1
164 1 36 ASP H 1 37 GLY H . . 3.020 2.801 2.524 2.979 . 0 0 "[ .]" 1
165 1 36 ASP H 1 37 GLY HA3 . . 5.440 5.331 5.048 5.495 0.055 4 0 "[ .]" 1
166 1 36 ASP HA 1 37 GLY H . . 3.660 3.532 3.511 3.552 . 0 0 "[ .]" 1
167 1 36 ASP HA 1 38 GLY H . . 5.540 4.655 4.598 4.750 . 0 0 "[ .]" 1
168 1 36 ASP HB2 1 37 GLY H . . 2.930 2.727 2.545 2.921 . 0 0 "[ .]" 1
169 1 36 ASP HB2 1 38 GLY H . . 5.230 4.548 4.329 4.905 . 0 0 "[ .]" 1
170 1 37 GLY H 1 38 GLY H . . 2.480 1.948 1.871 2.066 . 0 0 "[ .]" 1
171 1 37 GLY H 1 38 GLY HA2 . . 4.280 4.463 4.409 4.513 0.233 4 0 "[ .]" 1
172 1 37 GLY HA3 1 38 GLY H . . 3.120 3.364 3.311 3.494 0.374 2 0 "[ .]" 1
173 1 40 ASP H 1 41 GLY H . . 4.340 4.469 4.363 4.537 0.197 2 0 "[ .]" 1
174 1 40 ASP HA 1 41 GLY H . . 2.320 2.165 2.131 2.191 . 0 0 "[ .]" 1
175 1 40 ASP HB2 1 41 GLY H . . 3.530 3.070 2.820 3.611 0.081 4 0 "[ .]" 1
176 1 41 GLY H 1 42 LEU H . . 4.550 4.382 4.085 4.530 . 0 0 "[ .]" 1
177 1 41 GLY H 1 42 LEU HA . . 4.920 4.894 4.668 5.115 0.195 3 0 "[ .]" 1
178 1 41 GLY H 1 42 LEU HB3 . . 5.080 5.159 5.035 5.324 0.244 5 0 "[ .]" 1
179 1 41 GLY HA2 1 42 LEU H . . 2.620 2.318 2.122 2.448 . 0 0 "[ .]" 1
180 1 42 LEU H 1 79 GLU HB3 . . 5.360 5.377 5.295 5.443 0.083 2 0 "[ .]" 1
181 1 42 LEU H 1 81 ILE H . . 4.880 4.840 4.800 4.881 0.001 2 0 "[ .]" 1
182 1 42 LEU HA 1 43 VAL H . . 2.430 2.202 2.173 2.262 . 0 0 "[ .]" 1
183 1 42 LEU HB2 1 43 VAL H . . 2.930 2.878 2.710 2.977 0.047 1 0 "[ .]" 1
184 1 42 LEU HG 1 43 VAL H . . 5.020 4.378 3.862 4.795 . 0 0 "[ .]" 1
185 1 43 VAL H 1 44 HIS H . . 4.050 3.963 3.692 4.195 0.145 5 0 "[ .]" 1
186 1 43 VAL HA 1 44 HIS H . . 2.310 2.149 2.101 2.205 . 0 0 "[ .]" 1
187 1 43 VAL HA 1 46 SER H . . 4.670 4.487 4.183 4.681 0.011 2 0 "[ .]" 1
188 1 43 VAL HB 1 44 HIS H . . 4.460 4.226 3.538 4.453 . 0 0 "[ .]" 1
189 1 44 HIS H 1 45 LEU H . . 2.500 2.423 2.371 2.510 0.010 5 0 "[ .]" 1
190 1 44 HIS H 1 46 SER H . . 4.190 4.123 3.826 4.290 0.100 5 0 "[ .]" 1
191 1 44 HIS HA 1 45 LEU H . . 3.600 3.451 3.423 3.534 . 0 0 "[ .]" 1
192 1 44 HIS HA 1 46 SER H . . 3.650 3.533 3.405 3.685 0.035 4 0 "[ .]" 1
193 1 44 HIS HA 1 47 ASP H . . 4.520 4.004 3.708 4.265 . 0 0 "[ .]" 1
194 1 44 HIS HB2 1 45 LEU H . . 3.180 3.065 2.721 3.179 . 0 0 "[ .]" 1
195 1 45 LEU H 1 46 SER H . . 2.780 2.623 2.533 2.677 . 0 0 "[ .]" 1
196 1 45 LEU H 1 46 SER HA . . 5.350 5.241 5.185 5.300 . 0 0 "[ .]" 1
197 1 45 LEU H 1 46 SER HB2 . . 5.880 4.644 4.437 4.754 . 0 0 "[ .]" 1
198 1 45 LEU H 1 46 SER HB3 . . 5.880 5.328 5.038 5.967 0.087 3 0 "[ .]" 1
199 1 45 LEU H 1 47 ASP H . . 4.590 4.317 4.207 4.403 . 0 0 "[ .]" 1
200 1 45 LEU HA 1 46 SER H . . 3.550 3.404 3.385 3.419 . 0 0 "[ .]" 1
201 1 45 LEU HB2 1 46 SER H . . 3.560 3.237 3.189 3.321 . 0 0 "[ .]" 1
202 1 45 LEU HB2 1 47 ASP H . . 4.820 4.922 4.876 5.021 0.201 2 0 "[ .]" 1
203 1 45 LEU HG 1 46 SER H . . 5.730 4.489 4.138 5.484 . 0 0 "[ .]" 1
204 1 46 SER H 1 47 ASP H . . 2.930 2.640 2.566 2.699 . 0 0 "[ .]" 1
205 1 46 SER H 1 47 ASP HB2 . . 4.570 4.565 4.437 4.671 0.101 2 0 "[ .]" 1
206 1 46 SER HA 1 47 ASP H . . 3.200 3.286 3.140 3.461 0.261 5 0 "[ .]" 1
207 1 46 SER HA 1 48 ILE H . . 3.120 3.194 3.114 3.322 0.202 5 0 "[ .]" 1
208 1 46 SER HB3 1 47 ASP H . . 4.210 3.760 3.312 4.315 0.105 3 0 "[ .]" 1
209 1 47 ASP H 1 48 ILE H . . 2.760 2.544 2.449 2.585 . 0 0 "[ .]" 1
210 1 47 ASP H 1 48 ILE HB . . 4.950 5.069 5.012 5.188 0.238 3 0 "[ .]" 1
211 1 47 ASP H 1 48 ILE HG12 . . 4.410 3.437 3.255 3.618 . 0 0 "[ .]" 1
212 1 47 ASP HA 1 48 ILE H . . 3.430 3.282 3.233 3.356 . 0 0 "[ .]" 1
213 1 47 ASP HB2 1 48 ILE H . . 3.940 3.610 3.399 3.991 0.051 5 0 "[ .]" 1
214 1 48 ILE H 1 49 SER H . . 2.940 2.263 2.173 2.343 . 0 0 "[ .]" 1
215 1 48 ILE H 1 49 SER HA . . 5.210 4.469 4.432 4.514 . 0 0 "[ .]" 1
216 1 48 ILE H 1 49 SER HB3 . . 5.250 5.302 4.957 5.522 0.272 2 0 "[ .]" 1
217 1 48 ILE HB 1 49 SER H . . 4.200 2.692 2.297 3.300 . 0 0 "[ .]" 1
218 1 48 ILE HG12 1 49 SER H . . 3.660 3.833 3.729 3.964 0.304 3 0 "[ .]" 1
219 1 49 SER HA 1 50 TRP H . . 2.370 2.416 2.324 2.513 0.143 4 0 "[ .]" 1
220 1 49 SER HA 1 51 ASN H . . 4.480 4.493 4.469 4.513 0.033 2 0 "[ .]" 1
221 1 49 SER HB2 1 51 ASN H . . 4.070 3.785 3.425 4.243 0.173 4 0 "[ .]" 1
222 1 49 SER HB3 1 50 TRP H . . 3.320 3.318 2.978 3.778 0.458 3 0 "[ .]" 1
223 1 49 SER HB3 1 51 ASN H . . 4.070 4.037 3.958 4.137 0.067 3 0 "[ .]" 1
224 1 50 TRP H 1 51 ASN H . . 2.680 2.487 2.409 2.511 . 0 0 "[ .]" 1
225 1 50 TRP H 1 51 ASN HA . . 5.150 5.007 4.968 5.085 . 0 0 "[ .]" 1
226 1 50 TRP H 1 51 ASN HB3 . . 5.920 5.965 5.899 6.010 0.090 5 0 "[ .]" 1
227 1 50 TRP H 1 52 VAL H . . 4.160 4.164 4.135 4.238 0.078 4 0 "[ .]" 1
228 1 50 TRP HA 1 51 ASN H . . 3.710 3.547 3.541 3.551 . 0 0 "[ .]" 1
229 1 50 TRP HB2 1 51 ASN H . . 2.580 2.735 2.639 2.856 0.276 3 0 "[ .]" 1
230 1 50 TRP HB2 1 52 VAL H . . 4.420 4.131 4.035 4.240 . 0 0 "[ .]" 1
231 1 50 TRP HB3 1 52 VAL H . . 4.420 4.539 4.479 4.618 0.198 3 0 "[ .]" 1
232 1 51 ASN H 1 52 VAL H . . 2.110 2.088 2.052 2.135 0.025 4 0 "[ .]" 1
233 1 51 ASN H 1 52 VAL HA . . 4.430 4.519 4.438 4.612 0.182 4 0 "[ .]" 1
234 1 51 ASN H 1 52 VAL HB . . 5.910 5.586 5.366 5.757 . 0 0 "[ .]" 1
235 1 51 ASN HA 1 52 VAL H . . 3.700 3.564 3.556 3.572 . 0 0 "[ .]" 1
236 1 51 ASN HB2 1 52 VAL H . . 3.060 3.128 3.122 3.136 0.076 2 0 "[ .]" 1
237 1 52 VAL H 1 53 ALA H . . 4.560 4.583 4.510 4.715 0.155 4 0 "[ .]" 1
238 1 52 VAL HB 1 53 ALA H . . 2.320 2.376 2.338 2.432 0.112 4 0 "[ .]" 1
239 1 53 ALA H 1 54 GLY H . . 4.790 4.524 4.443 4.598 . 0 0 "[ .]" 1
240 1 53 ALA H 1 54 GLY HA2 . . 5.990 5.425 5.148 5.821 . 0 0 "[ .]" 1
241 1 53 ALA H 1 56 GLU H . . 4.950 4.684 4.375 4.946 . 0 0 "[ .]" 1
242 1 53 ALA H 1 56 GLU HB2 . . 4.920 4.831 4.484 5.020 0.100 3 0 "[ .]" 1
243 1 53 ALA HA 1 55 GLU H . . 4.190 3.890 3.511 4.117 . 0 0 "[ .]" 1
244 1 54 GLY H 1 55 GLU H . . 2.850 2.711 2.643 2.761 . 0 0 "[ .]" 1
245 1 54 GLY H 1 55 GLU HB2 . . 4.800 4.681 4.534 4.807 0.007 1 0 "[ .]" 1
246 1 54 GLY H 1 56 GLU H . . 4.650 4.643 4.502 4.716 0.066 5 0 "[ .]" 1
247 1 54 GLY H 1 57 ALA H . . 5.250 5.256 5.218 5.305 0.055 4 0 "[ .]" 1
248 1 54 GLY HA2 1 55 GLU H . . 3.230 3.420 3.405 3.453 0.223 4 0 "[ .]" 1
249 1 54 GLY HA2 1 56 GLU H . . 3.770 3.575 3.523 3.621 . 0 0 "[ .]" 1
250 1 54 GLY HA2 1 57 ALA H . . 3.140 2.882 2.831 3.067 . 0 0 "[ .]" 1
251 1 54 GLY HA2 1 58 VAL H . . 3.720 3.633 3.381 3.715 . 0 0 "[ .]" 1
252 1 55 GLU H 1 56 GLU H . . 2.890 2.773 2.692 2.817 . 0 0 "[ .]" 1
253 1 55 GLU H 1 57 ALA H . . 4.510 4.372 4.295 4.463 . 0 0 "[ .]" 1
254 1 55 GLU H 1 58 VAL H . . 5.020 4.825 4.778 4.854 . 0 0 "[ .]" 1
255 1 55 GLU HA 1 56 GLU H . . 3.630 3.514 3.478 3.528 . 0 0 "[ .]" 1
256 1 55 GLU HA 1 57 ALA H . . 5.160 4.902 4.814 4.988 . 0 0 "[ .]" 1
257 1 55 GLU HA 1 58 VAL H . . 4.330 4.031 3.989 4.064 . 0 0 "[ .]" 1
258 1 55 GLU HB3 1 58 VAL H . . 6.100 5.894 5.826 6.001 . 0 0 "[ .]" 1
259 1 56 GLU H 1 57 ALA H . . 2.470 2.388 2.348 2.427 . 0 0 "[ .]" 1
260 1 56 GLU H 1 57 ALA HA . . 5.110 5.062 5.033 5.098 . 0 0 "[ .]" 1
261 1 56 GLU H 1 58 VAL H . . 3.880 3.800 3.692 3.913 0.033 2 0 "[ .]" 1
262 1 56 GLU H 1 59 ARG HB2 . . 5.900 4.793 4.571 5.076 . 0 0 "[ .]" 1
263 1 56 GLU H 1 59 ARG HB3 . . 5.900 5.884 5.738 5.986 0.086 5 0 "[ .]" 1
264 1 56 GLU HA 1 57 ALA H . . 3.700 3.598 3.587 3.608 . 0 0 "[ .]" 1
265 1 56 GLU HA 1 58 VAL H . . 4.320 4.320 4.140 4.429 0.109 4 0 "[ .]" 1
266 1 56 GLU HA 1 59 ARG H . . 3.710 3.268 3.138 3.355 . 0 0 "[ .]" 1
267 1 56 GLU HA 1 60 GLU H . . 6.060 5.266 5.047 5.395 . 0 0 "[ .]" 1
268 1 56 GLU HB2 1 57 ALA H . . 2.620 2.571 2.508 2.615 . 0 0 "[ .]" 1
269 1 56 GLU HG2 1 57 ALA H . . 5.030 4.711 4.325 4.927 . 0 0 "[ .]" 1
270 1 57 ALA H 1 58 VAL H . . 2.920 2.702 2.641 2.725 . 0 0 "[ .]" 1
271 1 57 ALA H 1 59 ARG H . . 4.330 3.920 3.845 3.951 . 0 0 "[ .]" 1
272 1 57 ALA H 1 59 ARG HB3 . . 5.580 5.512 5.433 5.649 0.069 1 0 "[ .]" 1
273 1 58 VAL H 1 59 ARG H . . 2.840 2.479 2.378 2.558 . 0 0 "[ .]" 1
274 1 58 VAL H 1 59 ARG HB3 . . 4.920 5.063 4.996 5.114 0.194 2 0 "[ .]" 1
275 1 58 VAL H 1 60 GLU H . . 4.510 4.386 4.078 4.588 0.078 4 0 "[ .]" 1
276 1 58 VAL H 1 61 TYR H . . 5.270 5.029 4.805 5.283 0.013 1 0 "[ .]" 1
277 1 58 VAL HA 1 59 ARG H . . 3.620 3.465 3.456 3.468 . 0 0 "[ .]" 1
278 1 58 VAL HA 1 60 GLU H . . 3.820 3.668 3.432 3.890 0.070 4 0 "[ .]" 1
279 1 58 VAL HA 1 61 TYR H . . 3.160 3.005 2.696 3.218 0.058 1 0 "[ .]" 1
280 1 59 ARG H 1 60 GLU H . . 2.880 2.721 2.576 2.858 . 0 0 "[ .]" 1
281 1 59 ARG H 1 60 GLU HG3 . . 5.360 4.713 3.952 5.261 . 0 0 "[ .]" 1
282 1 59 ARG H 1 61 TYR H . . 4.460 4.127 3.979 4.266 . 0 0 "[ .]" 1
283 1 59 ARG HB2 1 60 GLU H . . 3.680 3.888 3.715 3.992 0.312 1 0 "[ .]" 1
284 1 59 ARG HG2 1 60 GLU H . . 4.980 4.834 4.564 4.979 . 0 0 "[ .]" 1
285 1 60 GLU H 1 61 TYR HA . . 5.150 4.806 4.175 5.070 . 0 0 "[ .]" 1
286 1 60 GLU H 1 61 TYR HB3 . . 5.510 5.452 4.338 5.932 0.422 3 0 "[ .]" 1
287 1 60 GLU HA 1 61 TYR H . . 3.680 3.537 3.490 3.576 . 0 0 "[ .]" 1
288 1 60 GLU HB2 1 61 TYR H . . 2.860 2.851 2.679 2.915 0.055 3 0 "[ .]" 1
289 1 60 GLU HG2 1 61 TYR H . . 4.830 4.750 4.552 4.833 0.003 5 0 "[ .]" 1
290 1 61 TYR H 1 62 LYS H . . 4.470 4.492 4.396 4.622 0.152 4 0 "[ .]" 1
291 1 61 TYR HB2 1 62 LYS H . . 3.110 2.739 1.950 3.140 0.030 5 0 "[ .]" 1
292 1 61 TYR HB2 1 65 ASP H . . 4.730 4.720 4.622 4.824 0.094 3 0 "[ .]" 1
293 1 62 LYS H 1 65 ASP H . . 5.100 3.762 3.466 4.019 . 0 0 "[ .]" 1
294 1 62 LYS HB2 1 63 LYS H . . 3.700 3.400 2.061 3.781 0.081 4 0 "[ .]" 1
295 1 63 LYS H 1 64 GLY H . . 4.710 4.432 4.416 4.455 . 0 0 "[ .]" 1
296 1 63 LYS H 1 65 ASP HB3 . . 5.720 5.847 5.722 6.011 0.291 5 0 "[ .]" 1
297 1 64 GLY H 1 65 ASP H . . 2.510 2.437 2.192 2.613 0.103 4 0 "[ .]" 1
298 1 64 GLY H 1 65 ASP HB2 . . 4.220 4.496 4.417 4.583 0.363 5 0 "[ .]" 1
299 1 64 GLY HA2 1 65 ASP H . . 3.290 3.258 3.247 3.274 . 0 0 "[ .]" 1
300 1 65 ASP H 1 66 GLU H . . 4.800 4.558 4.498 4.651 . 0 0 "[ .]" 1
301 1 65 ASP HA 1 66 GLU H . . 2.520 2.309 2.176 2.437 . 0 0 "[ .]" 1
302 1 65 ASP HB3 1 66 GLU H . . 3.080 3.128 3.084 3.174 0.094 1 0 "[ .]" 1
303 1 66 GLU H 1 67 ILE HA . . 5.230 4.493 4.170 5.086 . 0 0 "[ .]" 1
304 1 66 GLU HB3 1 67 ILE H . . 3.220 2.395 2.087 2.731 . 0 0 "[ .]" 1
305 1 67 ILE H 1 68 ALA H . . 4.580 4.479 4.419 4.536 . 0 0 "[ .]" 1
306 1 67 ILE H 1 68 ALA HA . . 4.970 4.826 4.716 4.939 . 0 0 "[ .]" 1
307 1 67 ILE HA 1 68 ALA H . . 2.670 2.561 2.549 2.566 . 0 0 "[ .]" 1
308 1 67 ILE HB 1 68 ALA H . . 2.320 2.124 2.091 2.169 . 0 0 "[ .]" 1
309 1 68 ALA H 1 69 ALA H . . 4.480 4.214 4.137 4.345 . 0 0 "[ .]" 1
310 1 68 ALA HA 1 69 ALA H . . 2.350 2.121 2.113 2.127 . 0 0 "[ .]" 1
311 1 69 ALA H 1 70 VAL H . . 4.530 4.369 4.333 4.389 . 0 0 "[ .]" 1
312 1 69 ALA HA 1 70 VAL H . . 2.610 2.478 2.441 2.522 . 0 0 "[ .]" 1
313 1 70 VAL H 1 71 VAL H . . 4.580 4.530 4.496 4.545 . 0 0 "[ .]" 1
314 1 70 VAL H 1 83 LEU HA . . 4.570 4.428 4.273 4.610 0.040 2 0 "[ .]" 1
315 1 70 VAL H 1 84 GLY H . . 3.430 3.316 3.186 3.440 0.010 4 0 "[ .]" 1
316 1 70 VAL H 1 85 VAL HA . . 4.200 4.005 3.752 4.196 . 0 0 "[ .]" 1
317 1 70 VAL HA 1 71 VAL H . . 2.310 2.186 2.159 2.219 . 0 0 "[ .]" 1
318 1 70 VAL HA 1 84 GLY H . . 4.810 4.891 4.813 4.947 0.137 4 0 "[ .]" 1
319 1 70 VAL HB 1 71 VAL H . . 3.370 2.834 2.682 2.965 . 0 0 "[ .]" 1
320 1 71 VAL H 1 72 LEU H . . 4.770 4.481 4.375 4.559 . 0 0 "[ .]" 1
321 1 71 VAL H 1 72 LEU HB3 . . 6.100 6.375 6.160 6.627 0.527 1 1 "[+ .]" 1
322 1 71 VAL HA 1 72 LEU H . . 2.370 2.129 2.116 2.149 . 0 0 "[ .]" 1
323 1 71 VAL HA 1 73 GLN H . . 4.290 3.955 3.760 4.176 . 0 0 "[ .]" 1
324 1 71 VAL HA 1 84 GLY H . . 4.540 4.230 3.773 4.536 . 0 0 "[ .]" 1
325 1 71 VAL HB 1 72 LEU H . . 4.130 4.132 3.965 4.244 0.114 1 0 "[ .]" 1
326 1 72 LEU H 1 73 GLN H . . 2.220 2.056 2.014 2.153 . 0 0 "[ .]" 1
327 1 72 LEU H 1 83 LEU HA . . 3.060 3.028 2.897 3.142 0.082 1 0 "[ .]" 1
328 1 72 LEU H 1 84 GLY H . . 4.260 4.380 4.320 4.494 0.234 1 0 "[ .]" 1
329 1 72 LEU HA 1 73 GLN H . . 3.700 3.571 3.545 3.589 . 0 0 "[ .]" 1
330 1 72 LEU HB2 1 73 GLN H . . 2.700 2.871 2.740 3.104 0.404 2 0 "[ .]" 1
331 1 73 GLN H 1 74 VAL H . . 4.430 4.366 4.305 4.436 0.006 5 0 "[ .]" 1
332 1 73 GLN H 1 82 SER H . . 3.340 3.213 3.016 3.362 0.022 1 0 "[ .]" 1
333 1 73 GLN H 1 82 SER HA . . 4.980 5.062 4.990 5.213 0.233 1 0 "[ .]" 1
334 1 73 GLN H 1 83 LEU HA . . 4.360 4.352 4.173 4.441 0.081 1 0 "[ .]" 1
335 1 73 GLN HG3 1 74 VAL H . . 2.840 2.878 2.828 2.971 0.131 1 0 "[ .]" 1
336 1 74 VAL H 1 75 ASP HA . . 4.770 4.626 4.597 4.662 . 0 0 "[ .]" 1
337 1 74 VAL HA 1 75 ASP H . . 2.290 2.197 2.123 2.279 . 0 0 "[ .]" 1
338 1 74 VAL HB 1 75 ASP H . . 3.530 3.317 2.604 3.820 0.290 4 0 "[ .]" 1
339 1 75 ASP H 1 76 ALA H . . 4.660 4.380 4.329 4.427 . 0 0 "[ .]" 1
340 1 75 ASP H 1 76 ALA HA . . 5.420 4.855 4.817 4.912 . 0 0 "[ .]" 1
341 1 75 ASP H 1 77 GLU H . . 6.020 5.541 5.510 5.584 . 0 0 "[ .]" 1
342 1 75 ASP H 1 78 ARG H . . 5.300 4.985 4.944 5.037 . 0 0 "[ .]" 1
343 1 75 ASP H 1 80 ARG H . . 3.150 3.050 2.966 3.150 0.000 2 0 "[ .]" 1
344 1 75 ASP H 1 81 ILE H . . 4.870 4.879 4.785 5.029 0.159 1 0 "[ .]" 1
345 1 75 ASP HA 1 76 ALA H . . 2.310 2.157 2.138 2.177 . 0 0 "[ .]" 1
346 1 75 ASP HA 1 77 GLU H . . 4.030 3.822 3.724 3.879 . 0 0 "[ .]" 1
347 1 75 ASP HA 1 78 ARG H . . 4.290 4.250 4.200 4.283 . 0 0 "[ .]" 1
348 1 75 ASP HA 1 80 ARG H . . 5.070 4.968 4.923 5.022 . 0 0 "[ .]" 1
349 1 75 ASP HB2 1 77 GLU H . . 3.840 3.902 3.855 3.943 0.103 2 0 "[ .]" 1
350 1 75 ASP HB2 1 78 ARG H . . 2.370 2.556 2.502 2.634 0.264 2 0 "[ .]" 1
351 1 75 ASP HB2 1 79 GLU H . . 2.640 2.852 2.798 2.898 0.258 2 0 "[ .]" 1
352 1 75 ASP HB3 1 76 ALA H . . 3.850 3.205 3.158 3.299 . 0 0 "[ .]" 1
353 1 75 ASP HB3 1 77 GLU H . . 3.840 3.058 3.037 3.083 . 0 0 "[ .]" 1
354 1 75 ASP HB3 1 78 ARG H . . 2.370 2.446 2.408 2.466 0.096 2 0 "[ .]" 1
355 1 76 ALA H 1 77 GLU H . . 2.560 2.470 2.457 2.477 . 0 0 "[ .]" 1
356 1 76 ALA H 1 77 GLU HA . . 5.240 5.196 5.179 5.216 . 0 0 "[ .]" 1
357 1 76 ALA H 1 77 GLU HB2 . . 4.580 4.568 4.528 4.619 0.039 3 0 "[ .]" 1
358 1 76 ALA H 1 77 GLU HG2 . . 5.410 4.716 4.369 5.177 . 0 0 "[ .]" 1
359 1 76 ALA H 1 78 ARG H . . 3.920 3.976 3.960 4.001 0.081 2 0 "[ .]" 1
360 1 76 ALA HA 1 77 GLU H . . 3.660 3.486 3.471 3.501 . 0 0 "[ .]" 1
361 1 77 GLU H 1 78 ARG H . . 2.470 2.303 2.293 2.317 . 0 0 "[ .]" 1
362 1 77 GLU H 1 78 ARG HA . . 5.170 5.031 5.019 5.043 . 0 0 "[ .]" 1
363 1 77 GLU H 1 78 ARG HB3 . . 4.810 4.996 4.929 5.023 0.213 1 0 "[ .]" 1
364 1 77 GLU H 1 79 GLU H . . 3.710 3.546 3.532 3.553 . 0 0 "[ .]" 1
365 1 77 GLU HA 1 78 ARG H . . 3.650 3.555 3.538 3.564 . 0 0 "[ .]" 1
366 1 77 GLU HB2 1 78 ARG H . . 3.060 2.755 2.717 2.807 . 0 0 "[ .]" 1
367 1 77 GLU HG2 1 78 ARG H . . 4.940 4.603 4.455 4.764 . 0 0 "[ .]" 1
368 1 78 ARG H 1 79 GLU H . . 2.390 2.346 2.322 2.377 . 0 0 "[ .]" 1
369 1 78 ARG H 1 80 ARG H . . 4.560 3.987 3.942 4.017 . 0 0 "[ .]" 1
370 1 78 ARG HA 1 79 GLU H . . 3.570 3.474 3.458 3.489 . 0 0 "[ .]" 1
371 1 78 ARG HA 1 80 ARG H . . 5.350 4.435 4.396 4.514 . 0 0 "[ .]" 1
372 1 78 ARG HB2 1 79 GLU H . . 3.820 3.868 3.834 3.888 0.068 2 0 "[ .]" 1
373 1 78 ARG HB2 1 80 ARG H . . 3.810 4.077 4.049 4.124 0.314 2 0 "[ .]" 1
374 1 78 ARG HB3 1 80 ARG H . . 3.810 2.446 2.417 2.479 . 0 0 "[ .]" 1
375 1 78 ARG HG3 1 79 GLU H . . 5.140 4.873 4.741 5.158 0.018 3 0 "[ .]" 1
376 1 78 ARG HG3 1 80 ARG H . . 5.580 4.356 4.026 5.073 . 0 0 "[ .]" 1
377 1 79 GLU H 1 80 ARG H . . 3.100 2.666 2.607 2.690 . 0 0 "[ .]" 1
378 1 79 GLU H 1 80 ARG HA . . 5.560 5.329 5.297 5.355 . 0 0 "[ .]" 1
379 1 79 GLU H 1 80 ARG HB3 . . 5.350 5.208 5.194 5.220 . 0 0 "[ .]" 1
380 1 79 GLU HA 1 80 ARG H . . 2.740 2.972 2.952 3.001 0.261 4 0 "[ .]" 1
381 1 79 GLU HB2 1 80 ARG H . . 4.490 4.080 4.055 4.123 . 0 0 "[ .]" 1
382 1 79 GLU HB2 1 81 ILE H . . 6.000 6.044 6.001 6.073 0.073 2 0 "[ .]" 1
383 1 80 ARG H 1 81 ILE H . . 4.320 4.261 4.226 4.297 . 0 0 "[ .]" 1
384 1 80 ARG H 1 81 ILE HA . . 4.850 5.029 4.952 5.079 0.229 1 0 "[ .]" 1
385 1 80 ARG HA 1 81 ILE H . . 2.290 2.133 2.127 2.143 . 0 0 "[ .]" 1
386 1 80 ARG HB2 1 81 ILE H . . 3.680 3.653 3.635 3.679 . 0 0 "[ .]" 1
387 1 81 ILE H 1 82 SER HA . . 5.440 5.075 4.924 5.156 . 0 0 "[ .]" 1
388 1 81 ILE H 1 82 SER HB3 . . 5.630 5.777 5.752 5.825 0.195 1 0 "[ .]" 1
389 1 81 ILE HA 1 82 SER H . . 2.420 2.154 2.122 2.214 . 0 0 "[ .]" 1
390 1 81 ILE HB 1 82 SER H . . 3.870 3.691 2.872 4.001 0.131 1 0 "[ .]" 1
391 1 82 SER H 1 83 LEU H . . 4.470 4.414 4.334 4.534 0.064 3 0 "[ .]" 1
392 1 82 SER HA 1 83 LEU H . . 2.370 2.143 2.122 2.154 . 0 0 "[ .]" 1
393 1 82 SER HB3 1 83 LEU H . . 3.570 3.661 3.633 3.718 0.148 2 0 "[ .]" 1
394 1 83 LEU H 1 84 GLY H . . 4.660 4.467 4.418 4.497 . 0 0 "[ .]" 1
395 1 83 LEU HA 1 84 GLY H . . 2.480 2.245 2.202 2.286 . 0 0 "[ .]" 1
396 1 83 LEU HB2 1 84 GLY H . . 2.770 2.642 2.499 2.746 . 0 0 "[ .]" 1
397 1 84 GLY H 1 85 VAL H . . 2.840 2.393 2.279 2.659 . 0 0 "[ .]" 1
398 1 84 GLY HA2 1 85 VAL H . . 3.150 3.256 3.231 3.269 0.119 4 0 "[ .]" 1
399 1 84 GLY HA2 1 87 GLN H . . 3.500 3.031 2.981 3.061 . 0 0 "[ .]" 1
400 1 84 GLY HA3 1 85 VAL H . . 3.150 3.280 3.237 3.361 0.211 2 0 "[ .]" 1
401 1 85 VAL H 1 86 LYS H . . 2.720 2.735 2.701 2.771 0.051 2 0 "[ .]" 1
402 1 85 VAL H 1 87 GLN H . . 4.280 4.167 4.108 4.229 . 0 0 "[ .]" 1
403 1 85 VAL H 1 88 LEU HB2 . . 5.830 4.546 4.524 4.558 . 0 0 "[ .]" 1
404 1 85 VAL H 1 88 LEU HB3 . . 5.830 5.788 5.752 5.832 0.002 1 0 "[ .]" 1
405 1 85 VAL HA 1 86 LYS H . . 3.660 3.547 3.530 3.572 . 0 0 "[ .]" 1
406 1 85 VAL HA 1 87 GLN H . . 4.260 4.237 4.223 4.251 . 0 0 "[ .]" 1
407 1 85 VAL HA 1 88 LEU H . . 3.710 3.304 3.278 3.329 . 0 0 "[ .]" 1
408 1 85 VAL HB 1 86 LYS H . . 4.140 3.974 3.904 4.063 . 0 0 "[ .]" 1
409 1 86 LYS H 1 87 GLN H . . 2.760 2.514 2.478 2.554 . 0 0 "[ .]" 1
410 1 86 LYS H 1 87 GLN HB3 . . 4.630 4.648 4.626 4.681 0.051 4 0 "[ .]" 1
411 1 86 LYS H 1 88 LEU H . . 4.260 3.804 3.773 3.848 . 0 0 "[ .]" 1
412 1 86 LYS HA 1 87 GLN H . . 3.650 3.510 3.501 3.524 . 0 0 "[ .]" 1
413 1 86 LYS HA 1 88 LEU H . . 3.980 4.093 4.071 4.102 0.122 2 0 "[ .]" 1
414 1 87 GLN H 1 88 LEU H . . 2.780 2.317 2.304 2.333 . 0 0 "[ .]" 1
415 1 87 GLN H 1 88 LEU HA . . 5.350 4.900 4.890 4.912 . 0 0 "[ .]" 1
416 1 87 GLN H 1 88 LEU HB2 . . 4.960 4.100 4.068 4.122 . 0 0 "[ .]" 1
417 1 87 GLN H 1 89 ALA H . . 4.820 4.620 4.593 4.641 . 0 0 "[ .]" 1
418 1 87 GLN HA 1 88 LEU H . . 3.610 3.487 3.476 3.497 . 0 0 "[ .]" 1
419 1 87 GLN HA 1 89 ALA H . . 4.730 4.821 4.787 4.845 0.115 5 0 "[ .]" 1
420 1 87 GLN HG2 1 88 LEU H . . 5.120 4.777 4.132 5.163 0.043 3 0 "[ .]" 1
421 1 88 LEU H 1 89 ALA HA . . 5.360 5.059 5.027 5.130 . 0 0 "[ .]" 1
422 1 88 LEU HA 1 89 ALA H . . 3.710 3.605 3.594 3.610 . 0 0 "[ .]" 1
423 1 88 LEU HB3 1 89 ALA H . . 2.990 2.220 2.190 2.255 . 0 0 "[ .]" 1
424 1 89 ALA HA 1 90 GLU H . . 2.470 2.320 2.131 2.458 . 0 0 "[ .]" 1
425 1 90 GLU HA 1 91 ASP H . . 2.860 2.622 2.563 2.664 . 0 0 "[ .]" 1
426 1 90 GLU HB3 1 91 ASP H . . 2.430 2.486 2.441 2.531 0.101 2 0 "[ .]" 1
427 1 90 GLU HG2 1 91 ASP H . . 2.260 2.117 1.957 2.243 . 0 0 "[ .]" 1
428 1 91 ASP HA 1 93 PHE H . . 4.220 3.903 3.889 3.916 . 0 0 "[ .]" 1
429 1 91 ASP HB2 1 93 PHE H . . 2.660 2.763 2.742 2.783 0.123 4 0 "[ .]" 1
430 1 91 ASP HB3 1 93 PHE H . . 2.660 2.762 2.752 2.770 0.110 3 0 "[ .]" 1
431 1 93 PHE H 1 94 ASN H . . 4.630 4.427 4.400 4.459 . 0 0 "[ .]" 1
432 1 93 PHE H 1 94 ASN HA . . 5.870 5.428 4.732 5.769 . 0 0 "[ .]" 1
433 1 93 PHE H 1 94 ASN HB2 . . 5.130 4.870 4.460 5.098 . 0 0 "[ .]" 1
434 1 93 PHE HA 1 94 ASN H . . 2.600 2.409 2.248 2.552 . 0 0 "[ .]" 1
435 1 93 PHE HB3 1 94 ASN H . . 3.150 2.629 2.298 2.998 . 0 0 "[ .]" 1
436 1 94 ASN H 1 95 ASN HA . . 4.760 4.728 4.648 4.842 0.082 2 0 "[ .]" 1
437 1 94 ASN HA 1 95 ASN H . . 2.340 2.269 2.164 2.337 . 0 0 "[ .]" 1
438 1 94 ASN HB3 1 95 ASN H . . 3.960 3.510 2.981 3.954 . 0 0 "[ .]" 1
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