NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378517 |
1hdl   |
4910 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hdl
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 1278
_Distance_constraint_stats_list.Viol_total 1571.928
_Distance_constraint_stats_list.Viol_max 0.864
_Distance_constraint_stats_list.Viol_rms 0.0515
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0586
_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 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 GLU 0.059 0.025 13 0 "[ . 1 . 2 ]"
1 4 ASP 0.438 0.054 19 0 "[ . 1 . 2 ]"
1 5 GLN 1.231 0.077 19 0 "[ . 1 . 2 ]"
1 6 GLU 0.862 0.077 10 0 "[ . 1 . 2 ]"
1 7 MET 0.722 0.077 19 0 "[ . 1 . 2 ]"
1 11 PHE 2.404 0.080 18 0 "[ . 1 . 2 ]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 ALA 0.106 0.031 12 0 "[ . 1 . 2 ]"
1 14 PHE 2.080 0.092 15 0 "[ . 1 . 2 ]"
1 15 MET 12.178 0.864 12 7 "[ *.- 1 + .* *** ]"
1 16 LYS 4.097 0.709 7 3 "[ . + 1 *. - 2 ]"
1 17 ASN 0.900 0.063 20 0 "[ . 1 . 2 ]"
1 18 GLY 5.448 0.259 10 0 "[ . 1 . 2 ]"
1 19 LYS 1.763 0.511 6 1 "[ .+ 1 . 2 ]"
1 20 LEU 3.325 0.853 20 4 "[ *. 1 * .- + ]"
1 21 PHE 4.479 0.709 7 3 "[ . + 1 *. - 2 ]"
1 22 CYS 0.816 0.080 16 0 "[ . 1 . 2 ]"
1 23 PRO 0.228 0.029 18 0 "[ . 1 . 2 ]"
1 24 GLN 2.096 0.572 21 1 "[ . 1 . 2+]"
1 25 ASP 2.061 0.572 21 1 "[ . 1 . 2+]"
1 26 LYS 0.856 0.052 21 0 "[ . 1 . 2 ]"
1 27 LYS 2.124 0.186 13 0 "[ . 1 . 2 ]"
1 28 PHE 2.580 0.186 13 0 "[ . 1 . 2 ]"
1 29 PHE 0.107 0.014 8 0 "[ . 1 . 2 ]"
1 30 GLN 8.251 0.804 6 5 "[ * *.+ - 1 * . 2 ]"
1 31 SER 3.903 0.815 5 4 "[ +** 1 - 2 ]"
1 32 LEU 2.507 0.079 11 0 "[ . 1 . 2 ]"
1 33 ASP 2.947 0.079 11 0 "[ . 1 . 2 ]"
1 34 GLY 5.785 0.815 5 4 "[ +** 1 - 2 ]"
1 35 ILE 3.315 0.092 19 0 "[ . 1 . 2 ]"
1 36 MET 4.497 0.092 19 0 "[ . 1 . 2 ]"
1 37 PHE 4.182 0.138 13 0 "[ . 1 . 2 ]"
1 38 ILE 3.446 0.138 13 0 "[ . 1 . 2 ]"
1 39 ASN 3.422 0.077 20 0 "[ . 1 . 2 ]"
1 40 LYS 4.222 0.564 7 2 "[ . + -1 . 2 ]"
1 41 CYS 2.668 0.564 7 2 "[ . + -1 . 2 ]"
1 42 ALA 1.105 0.080 16 0 "[ . 1 . 2 ]"
1 43 THR 0.826 0.074 4 0 "[ . 1 . 2 ]"
1 44 CYS 0.423 0.038 17 0 "[ . 1 . 2 ]"
1 45 LYS 0.862 0.082 14 0 "[ . 1 . 2 ]"
1 46 MET 3.253 0.082 14 0 "[ . 1 . 2 ]"
1 47 ILE 1.564 0.082 15 0 "[ . 1 . 2 ]"
1 48 LEU 4.483 0.860 9 5 "[ * . *+1* -. 2 ]"
1 49 GLU 9.478 0.860 9 5 "[ * . *+1* *. 2 ]"
1 50 LYS 0.256 0.028 17 0 "[ . 1 . 2 ]"
1 51 GLU 0.152 0.021 6 0 "[ . 1 . 2 ]"
1 52 ALA 0.164 0.021 6 0 "[ . 1 . 2 ]"
1 53 LYS 0.012 0.010 5 0 "[ . 1 . 2 ]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASN HA 1 3 GLU H 0.000 . 2.700 2.287 2.209 2.615 . 0 0 "[ . 1 . 2 ]" 1
2 1 2 ASN HB2 1 3 GLU H 0.000 . 5.000 4.141 2.234 4.509 . 0 0 "[ . 1 . 2 ]" 1
3 1 2 ASN HB3 1 3 GLU H 0.000 . 5.000 3.580 2.728 4.387 . 0 0 "[ . 1 . 2 ]" 1
4 1 2 ASN HB3 1 4 ASP H 0.000 . 5.000 3.152 2.556 4.189 . 0 0 "[ . 1 . 2 ]" 1
5 1 3 GLU H 1 4 ASP H 0.000 . 3.500 2.603 2.443 2.756 . 0 0 "[ . 1 . 2 ]" 1
6 1 3 GLU HA 1 4 ASP H 0.000 . 3.500 3.460 3.330 3.525 0.025 13 0 "[ . 1 . 2 ]" 1
7 1 3 GLU HB3 1 4 ASP H 0.000 . 5.000 3.884 3.100 4.224 . 0 0 "[ . 1 . 2 ]" 1
8 1 4 ASP H 1 5 GLN H 0.000 . 3.500 2.731 2.314 3.445 . 0 0 "[ . 1 . 2 ]" 1
9 1 4 ASP HA 1 5 GLN H 0.000 . 3.500 3.226 2.393 3.531 0.031 9 0 "[ . 1 . 2 ]" 1
10 1 4 ASP HA 1 6 GLU H 0.000 . 5.000 4.466 3.587 4.923 . 0 0 "[ . 1 . 2 ]" 1
11 1 4 ASP QB 1 5 GLN H 0.000 . 5.000 3.229 1.894 4.005 . 0 0 "[ . 1 . 2 ]" 1
12 1 4 ASP QB 1 5 GLN QB 0.000 . 5.000 4.336 3.581 4.764 . 0 0 "[ . 1 . 2 ]" 1
13 1 4 ASP QB 1 6 GLU H 0.000 . 5.000 4.678 2.973 5.054 0.054 19 0 "[ . 1 . 2 ]" 1
14 1 5 GLN H 1 6 GLU H 0.000 . 5.000 2.781 1.835 4.163 . 0 0 "[ . 1 . 2 ]" 1
15 1 5 GLN H 1 7 MET HA 0.000 . 5.000 5.011 4.805 5.077 0.077 19 0 "[ . 1 . 2 ]" 1
16 1 5 GLN HA 1 6 GLU H 0.000 . 3.500 3.317 2.339 3.577 0.077 10 0 "[ . 1 . 2 ]" 1
17 1 5 GLN QB 1 6 GLU H 0.000 . 5.000 2.809 1.820 4.049 . 0 0 "[ . 1 . 2 ]" 1
18 1 5 GLN QB 1 6 GLU QG 0.000 . 5.000 3.123 2.308 4.367 . 0 0 "[ . 1 . 2 ]" 1
19 1 6 GLU H 1 7 MET H 0.000 . 5.000 2.864 2.092 3.915 . 0 0 "[ . 1 . 2 ]" 1
20 1 6 GLU HA 1 7 MET H 0.000 . 3.500 2.940 2.345 3.522 0.022 21 0 "[ . 1 . 2 ]" 1
21 1 6 GLU QB 1 7 MET H 0.000 . 5.000 3.645 2.690 3.999 . 0 0 "[ . 1 . 2 ]" 1
22 1 7 MET H 1 47 ILE MD 0.000 . 5.000 4.928 4.619 5.017 0.017 10 0 "[ . 1 . 2 ]" 1
23 1 11 PHE H 1 11 PHE QB 0.000 . 2.700 2.177 2.120 2.285 . 0 0 "[ . 1 . 2 ]" 1
24 1 11 PHE H 1 11 PHE QD 0.000 . 3.500 2.295 1.955 2.544 . 0 0 "[ . 1 . 2 ]" 1
25 1 11 PHE H 1 11 PHE QE 0.000 . 5.000 4.481 4.235 4.879 . 0 0 "[ . 1 . 2 ]" 1
26 1 11 PHE HA 1 12 GLN H 0.000 . 5.000 3.464 3.354 3.589 . 0 0 "[ . 1 . 2 ]" 1
27 1 11 PHE HA 1 14 PHE QD 0.000 . 3.500 2.263 1.930 3.128 . 0 0 "[ . 1 . 2 ]" 1
28 1 11 PHE QB 1 12 GLN H 0.000 . 5.000 2.957 2.348 3.272 . 0 0 "[ . 1 . 2 ]" 1
29 1 11 PHE QB 1 14 PHE H 0.000 . 5.000 4.001 3.794 4.320 . 0 0 "[ . 1 . 2 ]" 1
30 1 11 PHE QB 1 14 PHE QD 0.000 . 5.000 3.027 2.367 3.795 . 0 0 "[ . 1 . 2 ]" 1
31 1 11 PHE QB 1 20 LEU QD 0.000 . 5.000 2.282 1.787 2.656 . 0 0 "[ . 1 . 2 ]" 1
32 1 11 PHE QB 1 48 LEU QD 0.000 . 5.000 4.222 3.768 4.445 . 0 0 "[ . 1 . 2 ]" 1
33 1 11 PHE QD 1 12 GLN H 0.000 . 5.000 4.358 4.118 4.489 . 0 0 "[ . 1 . 2 ]" 1
34 1 11 PHE QD 1 14 PHE QD 0.000 . 3.500 1.948 1.832 2.407 . 0 0 "[ . 1 . 2 ]" 1
35 1 11 PHE QD 1 14 PHE QE 0.000 . 3.500 3.511 3.410 3.539 0.039 5 0 "[ . 1 . 2 ]" 1
36 1 11 PHE QD 1 20 LEU QD 0.000 . 5.000 2.700 2.244 2.933 . 0 0 "[ . 1 . 2 ]" 1
37 1 11 PHE QD 1 37 PHE HB2 0.000 . 5.000 5.053 5.027 5.080 0.080 18 0 "[ . 1 . 2 ]" 1
38 1 11 PHE QD 1 41 CYS HB2 0.000 . 5.000 4.477 3.817 5.028 0.028 21 0 "[ . 1 . 2 ]" 1
39 1 11 PHE QE 1 26 LYS QG 0.000 . 5.000 5.022 5.004 5.043 0.043 5 0 "[ . 1 . 2 ]" 1
40 1 11 PHE QE 1 37 PHE QD 0.000 . 5.000 2.673 2.166 2.866 . 0 0 "[ . 1 . 2 ]" 1
41 1 11 PHE QE 1 37 PHE QE 0.000 . 5.000 2.365 2.105 2.657 . 0 0 "[ . 1 . 2 ]" 1
42 1 11 PHE QE 1 37 PHE HZ 0.000 . 5.000 4.247 3.706 4.555 . 0 0 "[ . 1 . 2 ]" 1
43 1 11 PHE QE 1 40 LYS H 0.000 . 5.000 3.832 3.422 4.307 . 0 0 "[ . 1 . 2 ]" 1
44 1 11 PHE QE 1 40 LYS HB2 0.000 . 5.000 2.447 1.864 3.909 . 0 0 "[ . 1 . 2 ]" 1
45 1 11 PHE QE 1 40 LYS QD 0.000 . 5.000 2.918 2.080 3.229 . 0 0 "[ . 1 . 2 ]" 1
46 1 11 PHE QE 1 40 LYS QE 0.000 . 5.000 4.579 3.598 5.010 0.010 21 0 "[ . 1 . 2 ]" 1
47 1 11 PHE QE 1 41 CYS H 0.000 . 5.000 3.381 2.675 3.714 . 0 0 "[ . 1 . 2 ]" 1
48 1 11 PHE QE 1 41 CYS HB2 0.000 . 5.000 2.535 1.992 3.197 . 0 0 "[ . 1 . 2 ]" 1
49 1 11 PHE QE 1 41 CYS HB3 0.000 . 5.000 3.925 3.453 4.260 . 0 0 "[ . 1 . 2 ]" 1
50 1 11 PHE HZ 1 37 PHE HA 0.000 . 5.000 3.001 2.402 3.701 . 0 0 "[ . 1 . 2 ]" 1
51 1 11 PHE HZ 1 37 PHE HZ 0.000 . 5.000 4.863 4.160 5.041 0.041 21 0 "[ . 1 . 2 ]" 1
52 1 11 PHE HZ 1 40 LYS H 0.000 . 5.000 3.964 3.701 4.200 . 0 0 "[ . 1 . 2 ]" 1
53 1 11 PHE HZ 1 40 LYS HB2 0.000 . 5.000 3.840 3.276 5.016 0.016 7 0 "[ . 1 . 2 ]" 1
54 1 11 PHE HZ 1 40 LYS HB3 0.000 . 5.000 4.114 3.002 4.685 . 0 0 "[ . 1 . 2 ]" 1
55 1 11 PHE HZ 1 40 LYS QD 0.000 . 5.000 4.901 4.416 5.020 0.020 14 0 "[ . 1 . 2 ]" 1
56 1 11 PHE HZ 1 41 CYS H 0.000 . 5.000 2.771 2.324 3.111 . 0 0 "[ . 1 . 2 ]" 1
57 1 11 PHE HZ 1 41 CYS HB2 0.000 . 5.000 2.389 1.866 2.948 . 0 0 "[ . 1 . 2 ]" 1
58 1 12 GLN H 1 13 ALA H 0.000 . 3.500 2.914 2.836 3.015 . 0 0 "[ . 1 . 2 ]" 1
59 1 12 GLN HA 1 13 ALA H 0.000 . 5.000 3.560 3.505 3.583 . 0 0 "[ . 1 . 2 ]" 1
60 1 12 GLN HA 1 14 PHE H 0.000 . 5.000 3.800 3.641 4.026 . 0 0 "[ . 1 . 2 ]" 1
61 1 12 GLN HA 1 15 MET H 0.000 . 5.000 3.994 3.775 4.261 . 0 0 "[ . 1 . 2 ]" 1
62 1 12 GLN HA 1 15 MET QG 0.000 . 5.000 3.365 2.204 3.939 . 0 0 "[ . 1 . 2 ]" 1
63 1 12 GLN HA 1 48 LEU QD 0.000 . 5.000 4.192 3.352 4.464 . 0 0 "[ . 1 . 2 ]" 1
64 1 12 GLN QB 1 13 ALA H 0.000 . 3.500 2.476 2.324 2.797 . 0 0 "[ . 1 . 2 ]" 1
65 1 12 GLN QG 1 13 ALA H 0.000 . 5.000 3.637 3.351 4.001 . 0 0 "[ . 1 . 2 ]" 1
66 1 12 GLN QG 1 15 MET QG 0.000 . 3.500 3.379 3.330 3.432 . 0 0 "[ . 1 . 2 ]" 1
67 1 13 ALA H 1 14 PHE H 0.000 . 2.700 2.640 2.446 2.718 0.018 13 0 "[ . 1 . 2 ]" 1
68 1 13 ALA H 1 15 MET H 0.000 . 5.000 4.346 4.230 4.483 . 0 0 "[ . 1 . 2 ]" 1
69 1 13 ALA HA 1 14 PHE H 0.000 . 5.000 3.472 3.440 3.496 . 0 0 "[ . 1 . 2 ]" 1
70 1 13 ALA HA 1 14 PHE QD 0.000 . 5.000 4.604 4.277 5.031 0.031 12 0 "[ . 1 . 2 ]" 1
71 1 13 ALA HA 1 15 MET H 0.000 . 5.000 3.500 3.360 3.626 . 0 0 "[ . 1 . 2 ]" 1
72 1 13 ALA MB 1 14 PHE H 0.000 . 3.500 2.925 2.757 3.048 . 0 0 "[ . 1 . 2 ]" 1
73 1 13 ALA MB 1 14 PHE QD 0.000 . 5.000 2.901 2.499 3.327 . 0 0 "[ . 1 . 2 ]" 1
74 1 13 ALA MB 1 14 PHE QE 0.000 . 5.000 2.963 2.534 3.303 . 0 0 "[ . 1 . 2 ]" 1
75 1 13 ALA MB 1 15 MET H 0.000 . 5.000 4.275 4.212 4.373 . 0 0 "[ . 1 . 2 ]" 1
76 1 14 PHE H 1 14 PHE HB2 0.000 . 2.700 2.417 2.256 2.517 . 0 0 "[ . 1 . 2 ]" 1
77 1 14 PHE H 1 14 PHE HB3 0.000 . 3.500 3.565 3.534 3.592 0.092 15 0 "[ . 1 . 2 ]" 1
78 1 14 PHE H 1 15 MET H 0.000 . 2.700 2.702 2.646 2.739 0.039 6 0 "[ . 1 . 2 ]" 1
79 1 14 PHE H 1 20 LEU QD 0.000 . 5.000 3.935 3.330 4.335 . 0 0 "[ . 1 . 2 ]" 1
80 1 14 PHE HA 1 15 MET H 0.000 . 3.500 3.173 3.124 3.223 . 0 0 "[ . 1 . 2 ]" 1
81 1 14 PHE HA 1 21 PHE H 0.000 . 5.000 4.557 4.214 4.928 . 0 0 "[ . 1 . 2 ]" 1
82 1 14 PHE HA 1 21 PHE HZ 0.000 . 5.000 2.143 1.914 2.380 . 0 0 "[ . 1 . 2 ]" 1
83 1 14 PHE HB2 1 15 MET H 0.000 . 5.000 3.775 3.697 3.863 . 0 0 "[ . 1 . 2 ]" 1
84 1 14 PHE HB2 1 20 LEU QD 0.000 . 3.500 2.374 1.967 2.842 . 0 0 "[ . 1 . 2 ]" 1
85 1 14 PHE HB3 1 20 LEU QD 0.000 . 5.000 2.776 2.443 3.023 . 0 0 "[ . 1 . 2 ]" 1
86 1 14 PHE HB3 1 21 PHE H 0.000 . 5.000 3.461 2.960 3.933 . 0 0 "[ . 1 . 2 ]" 1
87 1 14 PHE QD 1 20 LEU QD 0.000 . 5.000 3.277 2.969 3.554 . 0 0 "[ . 1 . 2 ]" 1
88 1 14 PHE QD 1 37 PHE QD 0.000 . 5.000 4.540 3.961 5.004 0.004 19 0 "[ . 1 . 2 ]" 1
89 1 14 PHE QE 1 24 GLN HE21 0.000 . 5.000 4.202 3.030 5.011 0.011 12 0 "[ . 1 . 2 ]" 1
90 1 14 PHE QE 1 37 PHE QD 0.000 . 5.000 3.141 2.778 3.623 . 0 0 "[ . 1 . 2 ]" 1
91 1 14 PHE QE 1 37 PHE QE 0.000 . 5.000 3.488 2.327 4.804 . 0 0 "[ . 1 . 2 ]" 1
92 1 15 MET H 1 15 MET HB2 0.000 . 3.500 3.157 2.154 3.618 0.118 11 0 "[ . 1 . 2 ]" 1
93 1 15 MET H 1 15 MET HB3 0.000 . 2.700 2.869 2.452 3.564 0.864 12 7 "[ *.- 1 + .* *** ]" 1
94 1 15 MET H 1 15 MET ME 0.000 . 5.000 4.270 3.284 4.740 . 0 0 "[ . 1 . 2 ]" 1
95 1 15 MET H 1 15 MET QG 0.000 . 2.700 2.135 1.858 2.624 . 0 0 "[ . 1 . 2 ]" 1
96 1 15 MET H 1 16 LYS H 0.000 . 5.000 4.379 4.079 4.625 . 0 0 "[ . 1 . 2 ]" 1
97 1 15 MET H 1 20 LEU HA 0.000 . 5.000 4.393 4.010 4.702 . 0 0 "[ . 1 . 2 ]" 1
98 1 15 MET H 1 20 LEU QD 0.000 . 5.000 4.146 3.351 4.708 . 0 0 "[ . 1 . 2 ]" 1
99 1 15 MET HA 1 16 LYS H 0.000 . 2.700 2.229 2.187 2.338 . 0 0 "[ . 1 . 2 ]" 1
100 1 15 MET HA 1 18 GLY H 0.000 . 5.000 4.811 4.620 5.024 0.024 20 0 "[ . 1 . 2 ]" 1
101 1 15 MET HA 1 19 LYS H 0.000 . 5.000 4.157 3.516 4.822 . 0 0 "[ . 1 . 2 ]" 1
102 1 15 MET HA 1 20 LEU HA 0.000 . 3.500 1.974 1.854 2.215 . 0 0 "[ . 1 . 2 ]" 1
103 1 15 MET HA 1 20 LEU QD 0.000 . 5.000 3.332 2.599 3.819 . 0 0 "[ . 1 . 2 ]" 1
104 1 15 MET HA 1 21 PHE H 0.000 . 3.500 3.434 3.144 3.554 0.054 13 0 "[ . 1 . 2 ]" 1
105 1 15 MET HB2 1 16 LYS H 0.000 . 5.000 3.944 3.459 4.496 . 0 0 "[ . 1 . 2 ]" 1
106 1 15 MET HB2 1 18 GLY H 0.000 . 5.000 3.772 3.231 4.894 . 0 0 "[ . 1 . 2 ]" 1
107 1 15 MET HB2 1 19 LYS H 0.000 . 5.000 4.497 3.861 5.511 0.511 6 1 "[ .+ 1 . 2 ]" 1
108 1 15 MET HB2 1 20 LEU HB2 0.000 . 5.000 4.497 3.579 5.853 0.853 20 4 "[ *. 1 * .- + ]" 1
109 1 15 MET HB3 1 16 LYS H 0.000 . 5.000 4.236 3.083 4.584 . 0 0 "[ . 1 . 2 ]" 1
110 1 15 MET HB3 1 18 GLY H 0.000 . 5.000 4.475 3.310 5.022 0.022 10 0 "[ . 1 . 2 ]" 1
111 1 15 MET ME 1 18 GLY H 0.000 . 5.000 3.625 2.153 4.536 . 0 0 "[ . 1 . 2 ]" 1
112 1 15 MET QG 1 16 LYS H 0.000 . 5.000 4.064 3.786 4.381 . 0 0 "[ . 1 . 2 ]" 1
113 1 15 MET QG 1 19 LYS H 0.000 . 5.000 4.778 4.387 4.867 . 0 0 "[ . 1 . 2 ]" 1
114 1 16 LYS H 1 18 GLY H 0.000 . 5.000 4.410 3.761 4.983 . 0 0 "[ . 1 . 2 ]" 1
115 1 16 LYS H 1 19 LYS H 0.000 . 3.500 3.081 2.303 3.384 . 0 0 "[ . 1 . 2 ]" 1
116 1 16 LYS H 1 19 LYS QB 0.000 . 5.000 2.886 2.567 3.230 . 0 0 "[ . 1 . 2 ]" 1
117 1 16 LYS H 1 20 LEU HA 0.000 . 5.000 3.202 2.926 3.460 . 0 0 "[ . 1 . 2 ]" 1
118 1 16 LYS H 1 20 LEU QD 0.000 . 5.000 4.620 4.139 4.822 . 0 0 "[ . 1 . 2 ]" 1
119 1 16 LYS H 1 21 PHE H 0.000 . 5.000 3.758 3.284 4.197 . 0 0 "[ . 1 . 2 ]" 1
120 1 16 LYS H 1 21 PHE QD 0.000 . 5.000 2.931 2.252 3.705 . 0 0 "[ . 1 . 2 ]" 1
121 1 16 LYS HA 1 17 ASN H 0.000 . 2.700 2.341 2.259 2.458 . 0 0 "[ . 1 . 2 ]" 1
122 1 16 LYS HA 1 18 GLY H 0.000 . 5.000 4.604 4.380 4.847 . 0 0 "[ . 1 . 2 ]" 1
123 1 16 LYS QB 1 17 ASN H 0.000 . 5.000 4.041 4.010 4.071 . 0 0 "[ . 1 . 2 ]" 1
124 1 16 LYS QB 1 19 LYS QD 0.000 . 3.500 2.948 2.687 3.304 . 0 0 "[ . 1 . 2 ]" 1
125 1 16 LYS QB 1 21 PHE QD 0.000 . 3.500 2.401 1.835 2.820 . 0 0 "[ . 1 . 2 ]" 1
126 1 16 LYS QB 1 21 PHE QE 0.000 . 5.000 1.927 1.837 2.510 . 0 0 "[ . 1 . 2 ]" 1
127 1 16 LYS QD 1 17 ASN HB3 0.000 . 5.000 4.841 4.542 4.998 . 0 0 "[ . 1 . 2 ]" 1
128 1 16 LYS QG 1 17 ASN H 0.000 . 5.000 3.623 3.365 4.111 . 0 0 "[ . 1 . 2 ]" 1
129 1 16 LYS QG 1 17 ASN HD21 0.000 . 5.000 3.334 2.171 4.868 . 0 0 "[ . 1 . 2 ]" 1
130 1 16 LYS HG2 1 21 PHE QD 0.000 . 5.000 5.016 4.124 5.709 0.709 7 3 "[ . + 1 *. - 2 ]" 1
131 1 17 ASN H 1 17 ASN HA 0.000 . 2.700 2.362 2.354 2.368 . 0 0 "[ . 1 . 2 ]" 1
132 1 17 ASN H 1 17 ASN HB2 0.000 . 3.500 3.318 2.969 3.520 0.020 1 0 "[ . 1 . 2 ]" 1
133 1 17 ASN H 1 17 ASN HD21 0.000 . 5.000 4.482 3.979 5.009 0.009 21 0 "[ . 1 . 2 ]" 1
134 1 17 ASN H 1 18 GLY H 0.000 . 3.500 2.886 2.765 2.988 . 0 0 "[ . 1 . 2 ]" 1
135 1 17 ASN HA 1 18 GLY H 0.000 . 2.700 2.719 2.659 2.763 0.063 20 0 "[ . 1 . 2 ]" 1
136 1 17 ASN HA 1 19 LYS H 0.000 . 5.000 4.198 4.077 4.313 . 0 0 "[ . 1 . 2 ]" 1
137 1 17 ASN HB2 1 17 ASN HD21 0.000 . 3.500 2.254 2.245 2.270 . 0 0 "[ . 1 . 2 ]" 1
138 1 17 ASN HB2 1 17 ASN HD22 0.000 . 3.500 3.513 3.510 3.518 0.018 13 0 "[ . 1 . 2 ]" 1
139 1 17 ASN HB2 1 18 GLY H 0.000 . 5.000 4.433 4.257 4.656 . 0 0 "[ . 1 . 2 ]" 1
140 1 17 ASN HB2 1 19 LYS H 0.000 . 5.000 4.129 3.486 5.009 0.009 4 0 "[ . 1 . 2 ]" 1
141 1 17 ASN HB3 1 18 GLY H 0.000 . 5.000 4.413 4.276 4.485 . 0 0 "[ . 1 . 2 ]" 1
142 1 17 ASN HB3 1 19 LYS H 0.000 . 5.000 4.348 3.492 4.995 . 0 0 "[ . 1 . 2 ]" 1
143 1 18 GLY H 1 18 GLY HA2 0.000 . 2.700 2.927 2.859 2.959 0.259 10 0 "[ . 1 . 2 ]" 1
144 1 18 GLY H 1 19 LYS H 0.000 . 3.500 2.626 2.424 2.886 . 0 0 "[ . 1 . 2 ]" 1
145 1 18 GLY HA2 1 19 LYS H 0.000 . 3.500 3.267 2.988 3.480 . 0 0 "[ . 1 . 2 ]" 1
146 1 18 GLY HA3 1 19 LYS H 0.000 . 3.500 3.304 3.037 3.504 0.004 10 0 "[ . 1 . 2 ]" 1
147 1 19 LYS H 1 19 LYS HB2 0.000 . 3.500 2.594 2.363 2.888 . 0 0 "[ . 1 . 2 ]" 1
148 1 19 LYS H 1 19 LYS HB3 0.000 . 2.700 2.665 2.526 2.750 0.050 19 0 "[ . 1 . 2 ]" 1
149 1 19 LYS QB 1 21 PHE QD 0.000 . 5.000 3.717 3.306 4.072 . 0 0 "[ . 1 . 2 ]" 1
150 1 19 LYS QB 1 21 PHE QE 0.000 . 5.000 4.765 4.256 5.013 0.013 14 0 "[ . 1 . 2 ]" 1
151 1 19 LYS QD 1 22 CYS H 0.000 . 5.000 5.016 4.962 5.042 0.042 8 0 "[ . 1 . 2 ]" 1
152 1 20 LEU HA 1 21 PHE H 0.000 . 2.700 2.230 2.205 2.265 . 0 0 "[ . 1 . 2 ]" 1
153 1 20 LEU HA 1 21 PHE QD 0.000 . 5.000 3.744 3.522 3.977 . 0 0 "[ . 1 . 2 ]" 1
154 1 20 LEU HA 1 22 CYS H 0.000 . 5.000 4.686 4.347 5.035 0.035 14 0 "[ . 1 . 2 ]" 1
155 1 20 LEU HB2 1 21 PHE H 0.000 . 5.000 4.490 4.322 4.645 . 0 0 "[ . 1 . 2 ]" 1
156 1 20 LEU HB3 1 21 PHE H 0.000 . 5.000 4.339 4.143 4.559 . 0 0 "[ . 1 . 2 ]" 1
157 1 20 LEU QD 1 21 PHE H 0.000 . 2.700 2.351 2.003 2.652 . 0 0 "[ . 1 . 2 ]" 1
158 1 20 LEU QD 1 22 CYS H 0.000 . 5.000 2.425 1.827 3.752 . 0 0 "[ . 1 . 2 ]" 1
159 1 20 LEU QD 1 44 CYS H 0.000 . 5.000 4.730 4.150 4.869 . 0 0 "[ . 1 . 2 ]" 1
160 1 20 LEU QD 1 45 LYS H 0.000 . 3.500 3.165 2.374 3.449 . 0 0 "[ . 1 . 2 ]" 1
161 1 20 LEU QD 1 45 LYS HA 0.000 . 3.500 1.948 1.714 2.411 . 0 0 "[ . 1 . 2 ]" 1
162 1 20 LEU QD 1 45 LYS QE 0.000 . 5.000 4.380 3.565 4.909 . 0 0 "[ . 1 . 2 ]" 1
163 1 20 LEU QD 1 48 LEU QD 0.000 . 2.700 2.209 1.668 2.646 . 0 0 "[ . 1 . 2 ]" 1
164 1 20 LEU HG 1 21 PHE H 0.000 . 5.000 3.920 3.365 4.854 . 0 0 "[ . 1 . 2 ]" 1
165 1 20 LEU HG 1 22 CYS H 0.000 . 5.000 4.165 2.232 5.043 0.043 16 0 "[ . 1 . 2 ]" 1
166 1 21 PHE H 1 21 PHE QD 0.000 . 3.500 2.438 2.252 2.638 . 0 0 "[ . 1 . 2 ]" 1
167 1 21 PHE H 1 22 CYS H 0.000 . 5.000 3.737 3.510 3.983 . 0 0 "[ . 1 . 2 ]" 1
168 1 21 PHE H 1 22 CYS HA 0.000 . 5.000 4.850 4.726 4.967 . 0 0 "[ . 1 . 2 ]" 1
169 1 21 PHE HA 1 22 CYS H 0.000 . 2.700 2.458 2.328 2.575 . 0 0 "[ . 1 . 2 ]" 1
170 1 21 PHE QB 1 22 CYS H 0.000 . 5.000 3.940 3.846 4.010 . 0 0 "[ . 1 . 2 ]" 1
171 1 21 PHE QD 1 22 CYS H 0.000 . 5.000 4.670 4.587 4.733 . 0 0 "[ . 1 . 2 ]" 1
172 1 22 CYS QB 1 23 PRO HD3 0.000 . 5.000 1.787 1.762 1.805 . 0 0 "[ . 1 . 2 ]" 1
173 1 22 CYS QB 1 41 CYS HB3 0.000 . 5.000 4.620 4.051 4.939 . 0 0 "[ . 1 . 2 ]" 1
174 1 22 CYS QB 1 42 ALA H 0.000 . 5.000 4.953 4.635 5.080 0.080 16 0 "[ . 1 . 2 ]" 1
175 1 23 PRO HA 1 24 GLN H 0.000 . 2.700 2.447 2.397 2.546 . 0 0 "[ . 1 . 2 ]" 1
176 1 23 PRO HA 1 26 LYS H 0.000 . 5.000 4.752 4.071 5.029 0.029 18 0 "[ . 1 . 2 ]" 1
177 1 23 PRO HB3 1 24 GLN H 0.000 . 5.000 4.484 4.436 4.566 . 0 0 "[ . 1 . 2 ]" 1
178 1 23 PRO HD2 1 24 GLN H 0.000 . 5.000 4.946 4.767 5.019 0.019 13 0 "[ . 1 . 2 ]" 1
179 1 24 GLN H 1 25 ASP H 0.000 . 3.500 2.863 1.849 3.546 0.046 12 0 "[ . 1 . 2 ]" 1
180 1 24 GLN HA 1 24 GLN HE21 0.000 . 5.000 4.977 4.761 5.029 0.029 17 0 "[ . 1 . 2 ]" 1
181 1 24 GLN HA 1 25 ASP H 0.000 . 3.500 3.459 2.451 3.568 0.068 4 0 "[ . 1 . 2 ]" 1
182 1 24 GLN HE21 1 28 PHE QD 0.000 . 5.000 4.811 4.181 5.009 0.009 5 0 "[ . 1 . 2 ]" 1
183 1 24 GLN HG2 1 28 PHE QE 0.000 . 5.000 4.039 3.217 5.030 0.030 2 0 "[ . 1 . 2 ]" 1
184 1 24 GLN HG3 1 25 ASP QB 0.000 . 3.500 3.498 2.815 4.072 0.572 21 1 "[ . 1 . 2+]" 1
185 1 25 ASP H 1 26 LYS H 0.000 . 5.000 3.266 2.408 3.688 . 0 0 "[ . 1 . 2 ]" 1
186 1 25 ASP H 1 28 PHE QE 0.000 . 5.000 3.492 3.049 4.914 . 0 0 "[ . 1 . 2 ]" 1
187 1 25 ASP H 1 28 PHE HZ 0.000 . 5.000 4.984 4.699 5.080 0.080 21 0 "[ . 1 . 2 ]" 1
188 1 25 ASP HA 1 26 LYS H 0.000 . 2.700 2.549 2.454 2.701 0.001 8 0 "[ . 1 . 2 ]" 1
189 1 25 ASP QB 1 26 LYS H 0.000 . 5.000 4.011 3.926 4.060 . 0 0 "[ . 1 . 2 ]" 1
190 1 25 ASP QB 1 28 PHE QE 0.000 . 3.500 2.391 1.972 2.895 . 0 0 "[ . 1 . 2 ]" 1
191 1 25 ASP QB 1 28 PHE HZ 0.000 . 3.500 2.535 1.827 3.115 . 0 0 "[ . 1 . 2 ]" 1
192 1 26 LYS H 1 27 LYS H 0.000 . 5.000 2.768 2.711 2.867 . 0 0 "[ . 1 . 2 ]" 1
193 1 26 LYS H 1 28 PHE QD 0.000 . 5.000 4.962 4.679 5.052 0.052 21 0 "[ . 1 . 2 ]" 1
194 1 26 LYS QB 1 27 LYS H 0.000 . 3.500 3.184 3.043 3.303 . 0 0 "[ . 1 . 2 ]" 1
195 1 26 LYS QB 1 28 PHE H 0.000 . 5.000 4.412 4.390 4.429 . 0 0 "[ . 1 . 2 ]" 1
196 1 26 LYS QB 1 29 PHE QD 0.000 . 5.000 4.582 4.137 4.979 . 0 0 "[ . 1 . 2 ]" 1
197 1 27 LYS H 1 27 LYS HB2 0.000 . 2.700 2.384 2.252 2.507 . 0 0 "[ . 1 . 2 ]" 1
198 1 27 LYS H 1 27 LYS HB3 0.000 . 3.500 3.535 3.521 3.542 0.042 15 0 "[ . 1 . 2 ]" 1
199 1 27 LYS H 1 27 LYS HG2 0.000 . 5.000 2.782 1.871 3.631 . 0 0 "[ . 1 . 2 ]" 1
200 1 27 LYS H 1 27 LYS HG3 0.000 . 3.500 2.678 1.874 3.502 0.002 13 0 "[ . 1 . 2 ]" 1
201 1 27 LYS H 1 28 PHE H 0.000 . 3.500 2.912 2.870 2.962 . 0 0 "[ . 1 . 2 ]" 1
202 1 27 LYS H 1 29 PHE H 0.000 . 5.000 4.408 4.315 4.529 . 0 0 "[ . 1 . 2 ]" 1
203 1 27 LYS HA 1 28 PHE H 0.000 . 5.000 3.515 3.505 3.530 . 0 0 "[ . 1 . 2 ]" 1
204 1 27 LYS HA 1 30 GLN QB 0.000 . 5.000 4.977 4.745 5.034 0.034 1 0 "[ . 1 . 2 ]" 1
205 1 27 LYS HB2 1 28 PHE H 0.000 . 5.000 2.884 2.837 2.936 . 0 0 "[ . 1 . 2 ]" 1
206 1 27 LYS HB2 1 28 PHE HA 0.000 . 5.000 4.488 4.350 4.652 . 0 0 "[ . 1 . 2 ]" 1
207 1 27 LYS HB3 1 28 PHE H 0.000 . 5.000 3.739 3.585 3.854 . 0 0 "[ . 1 . 2 ]" 1
208 1 27 LYS QD 1 28 PHE H 0.000 . 5.000 4.893 4.628 5.006 0.006 10 0 "[ . 1 . 2 ]" 1
209 1 27 LYS HG3 1 28 PHE H 0.000 . 5.000 4.801 4.341 5.186 0.186 13 0 "[ . 1 . 2 ]" 1
210 1 28 PHE H 1 28 PHE HB2 0.000 . 2.700 2.593 2.506 2.755 0.055 21 0 "[ . 1 . 2 ]" 1
211 1 28 PHE H 1 28 PHE HB3 0.000 . 3.500 3.517 3.507 3.532 0.032 12 0 "[ . 1 . 2 ]" 1
212 1 28 PHE H 1 29 PHE H 0.000 . 3.500 2.798 2.712 2.885 . 0 0 "[ . 1 . 2 ]" 1
213 1 28 PHE HA 1 29 PHE H 0.000 . 3.500 3.481 3.434 3.510 0.010 21 0 "[ . 1 . 2 ]" 1
214 1 28 PHE HA 1 30 GLN H 0.000 . 5.000 3.438 3.360 3.507 . 0 0 "[ . 1 . 2 ]" 1
215 1 28 PHE HA 1 34 GLY H 0.000 . 5.000 4.975 4.800 5.053 0.053 3 0 "[ . 1 . 2 ]" 1
216 1 28 PHE HB2 1 29 PHE H 0.000 . 5.000 2.960 2.790 3.138 . 0 0 "[ . 1 . 2 ]" 1
217 1 28 PHE HB3 1 34 GLY H 0.000 . 5.000 3.840 3.379 4.357 . 0 0 "[ . 1 . 2 ]" 1
218 1 28 PHE QD 1 34 GLY HA3 0.000 . 5.000 3.947 3.626 4.228 . 0 0 "[ . 1 . 2 ]" 1
219 1 29 PHE H 1 29 PHE HB2 0.000 . 2.700 2.332 2.224 2.495 . 0 0 "[ . 1 . 2 ]" 1
220 1 29 PHE H 1 29 PHE HB3 0.000 . 3.500 2.563 2.338 2.705 . 0 0 "[ . 1 . 2 ]" 1
221 1 29 PHE HA 1 30 GLN H 0.000 . 3.500 3.487 3.449 3.514 0.014 8 0 "[ . 1 . 2 ]" 1
222 1 29 PHE HA 1 31 SER H 0.000 . 5.000 3.431 3.386 3.474 . 0 0 "[ . 1 . 2 ]" 1
223 1 29 PHE HA 1 35 ILE H 0.000 . 5.000 3.358 3.068 4.018 . 0 0 "[ . 1 . 2 ]" 1
224 1 29 PHE HB2 1 30 GLN H 0.000 . 5.000 4.038 3.921 4.186 . 0 0 "[ . 1 . 2 ]" 1
225 1 29 PHE HB3 1 30 GLN H 0.000 . 5.000 2.944 2.834 3.092 . 0 0 "[ . 1 . 2 ]" 1
226 1 29 PHE QD 1 35 ILE MD 0.000 . 3.500 2.563 2.154 3.053 . 0 0 "[ . 1 . 2 ]" 1
227 1 29 PHE QD 1 35 ILE QG 0.000 . 5.000 3.630 2.321 3.966 . 0 0 "[ . 1 . 2 ]" 1
228 1 29 PHE QD 1 35 ILE MG 0.000 . 5.000 4.661 4.325 5.002 0.002 8 0 "[ . 1 . 2 ]" 1
229 1 29 PHE QD 1 38 ILE MD 0.000 . 3.500 2.069 1.757 3.346 . 0 0 "[ . 1 . 2 ]" 1
230 1 29 PHE QD 1 38 ILE MG 0.000 . 3.500 2.684 1.843 3.508 0.008 18 0 "[ . 1 . 2 ]" 1
231 1 30 GLN H 1 30 GLN HG2 0.000 . 3.500 2.862 1.981 3.404 . 0 0 "[ . 1 . 2 ]" 1
232 1 30 GLN H 1 30 GLN HG3 0.000 . 2.700 2.720 2.264 3.504 0.804 6 5 "[ * *.+ * 1 - . 2 ]" 1
233 1 30 GLN H 1 31 SER H 0.000 . 2.700 2.711 2.677 2.742 0.042 5 0 "[ . 1 . 2 ]" 1
234 1 30 GLN HA 1 31 SER H 0.000 . 3.500 3.382 3.336 3.434 . 0 0 "[ . 1 . 2 ]" 1
235 1 30 GLN QB 1 31 SER H 0.000 . 5.000 3.349 3.097 3.837 . 0 0 "[ . 1 . 2 ]" 1
236 1 30 GLN HE22 1 30 GLN HG3 0.000 . 3.500 3.685 3.510 4.002 0.502 8 1 "[ . + 1 . 2 ]" 1
237 1 30 GLN HG2 1 31 SER H 0.000 . 5.000 4.459 2.868 5.019 0.019 17 0 "[ . 1 . 2 ]" 1
238 1 30 GLN HG3 1 31 SER H 0.000 . 5.000 4.462 3.173 5.019 0.019 1 0 "[ . 1 . 2 ]" 1
239 1 31 SER H 1 32 LEU H 0.000 . 5.000 4.470 4.439 4.505 . 0 0 "[ . 1 . 2 ]" 1
240 1 31 SER H 1 34 GLY H 0.000 . 5.000 3.772 3.550 4.161 . 0 0 "[ . 1 . 2 ]" 1
241 1 31 SER H 1 35 ILE H 0.000 . 3.500 3.504 3.186 3.539 0.039 6 0 "[ . 1 . 2 ]" 1
242 1 31 SER H 1 35 ILE MD 0.000 . 5.000 4.585 4.110 5.004 0.004 8 0 "[ . 1 . 2 ]" 1
243 1 31 SER H 1 35 ILE QG 0.000 . 5.000 3.326 2.608 3.876 . 0 0 "[ . 1 . 2 ]" 1
244 1 31 SER HA 1 32 LEU H 0.000 . 2.700 2.370 2.290 2.454 . 0 0 "[ . 1 . 2 ]" 1
245 1 31 SER HA 1 33 ASP H 0.000 . 5.000 4.576 4.124 4.809 . 0 0 "[ . 1 . 2 ]" 1
246 1 31 SER HA 1 34 GLY H 0.000 . 5.000 4.526 4.372 4.682 . 0 0 "[ . 1 . 2 ]" 1
247 1 31 SER HB2 1 32 LEU H 0.000 . 5.000 3.689 2.577 4.109 . 0 0 "[ . 1 . 2 ]" 1
248 1 31 SER HB2 1 33 ASP H 0.000 . 5.000 4.128 3.190 4.988 . 0 0 "[ . 1 . 2 ]" 1
249 1 31 SER HB3 1 34 GLY H 0.000 . 3.500 3.262 2.338 4.315 0.815 5 4 "[ +** 1 - 2 ]" 1
250 1 32 LEU H 1 33 ASP H 0.000 . 3.500 2.878 2.662 3.063 . 0 0 "[ . 1 . 2 ]" 1
251 1 32 LEU H 1 34 GLY H 0.000 . 5.000 4.079 3.908 4.235 . 0 0 "[ . 1 . 2 ]" 1
252 1 32 LEU H 1 35 ILE H 0.000 . 5.000 4.468 4.244 4.689 . 0 0 "[ . 1 . 2 ]" 1
253 1 32 LEU HA 1 33 ASP H 0.000 . 3.500 3.572 3.523 3.579 0.079 11 0 "[ . 1 . 2 ]" 1
254 1 32 LEU HA 1 35 ILE H 0.000 . 5.000 3.285 3.125 3.722 . 0 0 "[ . 1 . 2 ]" 1
255 1 32 LEU HA 1 36 MET H 0.000 . 5.000 3.972 3.729 4.071 . 0 0 "[ . 1 . 2 ]" 1
256 1 32 LEU QB 1 33 ASP H 0.000 . 2.700 2.229 2.050 2.643 . 0 0 "[ . 1 . 2 ]" 1
257 1 32 LEU QB 1 34 GLY H 0.000 . 5.000 4.439 4.267 4.724 . 0 0 "[ . 1 . 2 ]" 1
258 1 32 LEU QB 1 36 MET H 0.000 . 5.000 5.046 5.027 5.069 0.069 15 0 "[ . 1 . 2 ]" 1
259 1 32 LEU QD 1 33 ASP H 0.000 . 5.000 3.249 2.860 3.728 . 0 0 "[ . 1 . 2 ]" 1
260 1 32 LEU QD 1 34 GLY H 0.000 . 5.000 4.627 4.227 4.852 . 0 0 "[ . 1 . 2 ]" 1
261 1 32 LEU QD 1 36 MET H 0.000 . 3.500 3.395 3.054 3.497 . 0 0 "[ . 1 . 2 ]" 1
262 1 32 LEU HG 1 33 ASP H 0.000 . 5.000 4.573 3.482 5.044 0.044 19 0 "[ . 1 . 2 ]" 1
263 1 33 ASP H 1 34 GLY H 0.000 . 2.700 2.732 2.429 2.772 0.072 16 0 "[ . 1 . 2 ]" 1
264 1 33 ASP H 1 35 ILE H 0.000 . 5.000 4.162 3.716 4.405 . 0 0 "[ . 1 . 2 ]" 1
265 1 33 ASP HA 1 36 MET H 0.000 . 3.500 3.522 3.512 3.529 0.029 13 0 "[ . 1 . 2 ]" 1
266 1 33 ASP QB 1 34 GLY H 0.000 . 2.700 2.514 2.422 2.575 . 0 0 "[ . 1 . 2 ]" 1
267 1 34 GLY HA2 1 35 ILE H 0.000 . 3.500 2.781 2.672 2.926 . 0 0 "[ . 1 . 2 ]" 1
268 1 34 GLY HA2 1 36 MET H 0.000 . 5.000 4.510 4.303 4.844 . 0 0 "[ . 1 . 2 ]" 1
269 1 34 GLY HA2 1 37 PHE H 0.000 . 5.000 5.016 4.979 5.038 0.038 15 0 "[ . 1 . 2 ]" 1
270 1 34 GLY HA2 1 37 PHE HB3 0.000 . 5.000 4.750 4.567 5.002 0.002 12 0 "[ . 1 . 2 ]" 1
271 1 34 GLY HA3 1 35 ILE H 0.000 . 3.500 3.548 3.512 3.568 0.068 12 0 "[ . 1 . 2 ]" 1
272 1 34 GLY HA3 1 37 PHE HB2 0.000 . 5.000 4.706 4.471 5.025 0.025 19 0 "[ . 1 . 2 ]" 1
273 1 34 GLY HA3 1 37 PHE HB3 0.000 . 5.000 3.137 2.875 3.544 . 0 0 "[ . 1 . 2 ]" 1
274 1 35 ILE H 1 35 ILE HB 0.000 . 2.700 2.144 2.024 2.288 . 0 0 "[ . 1 . 2 ]" 1
275 1 35 ILE H 1 36 MET H 0.000 . 2.700 2.699 2.506 2.735 0.035 12 0 "[ . 1 . 2 ]" 1
276 1 35 ILE HA 1 36 MET H 0.000 . 3.500 3.540 3.523 3.559 0.059 18 0 "[ . 1 . 2 ]" 1
277 1 35 ILE HA 1 38 ILE H 0.000 . 5.000 3.911 3.337 4.190 . 0 0 "[ . 1 . 2 ]" 1
278 1 35 ILE HA 1 38 ILE HG13 0.000 . 5.000 3.582 2.581 4.046 . 0 0 "[ . 1 . 2 ]" 1
279 1 35 ILE HA 1 38 ILE MG 0.000 . 5.000 3.890 3.497 4.758 . 0 0 "[ . 1 . 2 ]" 1
280 1 35 ILE HB 1 36 MET H 0.000 . 3.500 2.849 2.737 3.592 0.092 19 0 "[ . 1 . 2 ]" 1
281 1 35 ILE MD 1 39 ASN H 0.000 . 5.000 5.031 5.004 5.067 0.067 20 0 "[ . 1 . 2 ]" 1
282 1 35 ILE QG 1 36 MET H 0.000 . 5.000 2.949 1.777 3.136 . 0 0 "[ . 1 . 2 ]" 1
283 1 35 ILE MG 1 36 MET H 0.000 . 3.500 3.008 1.780 3.224 . 0 0 "[ . 1 . 2 ]" 1
284 1 35 ILE MG 1 39 ASN HD21 0.000 . 5.000 3.344 2.195 4.539 . 0 0 "[ . 1 . 2 ]" 1
285 1 35 ILE MG 1 39 ASN HD22 0.000 . 3.500 2.550 1.780 3.438 . 0 0 "[ . 1 . 2 ]" 1
286 1 36 MET H 1 36 MET HB2 0.000 . 2.700 2.085 1.986 2.287 . 0 0 "[ . 1 . 2 ]" 1
287 1 36 MET H 1 36 MET HB3 0.000 . 3.500 3.423 3.300 3.531 0.031 18 0 "[ . 1 . 2 ]" 1
288 1 36 MET H 1 37 PHE H 0.000 . 3.500 2.907 2.797 3.060 . 0 0 "[ . 1 . 2 ]" 1
289 1 36 MET HA 1 37 PHE H 0.000 . 5.000 3.595 3.572 3.600 . 0 0 "[ . 1 . 2 ]" 1
290 1 36 MET HA 1 38 ILE H 0.000 . 5.000 4.609 4.204 4.714 . 0 0 "[ . 1 . 2 ]" 1
291 1 36 MET HA 1 39 ASN H 0.000 . 5.000 3.410 3.257 3.527 . 0 0 "[ . 1 . 2 ]" 1
292 1 36 MET HA 1 39 ASN HB2 0.000 . 5.000 2.711 2.472 2.907 . 0 0 "[ . 1 . 2 ]" 1
293 1 36 MET HA 1 39 ASN HB3 0.000 . 5.000 4.181 3.881 4.390 . 0 0 "[ . 1 . 2 ]" 1
294 1 36 MET HA 1 39 ASN HD21 0.000 . 5.000 3.126 1.890 5.010 0.010 20 0 "[ . 1 . 2 ]" 1
295 1 36 MET HA 1 40 LYS H 0.000 . 5.000 4.424 4.242 4.637 . 0 0 "[ . 1 . 2 ]" 1
296 1 36 MET HB2 1 37 PHE H 0.000 . 3.500 2.467 2.284 2.814 . 0 0 "[ . 1 . 2 ]" 1
297 1 36 MET HB3 1 37 PHE H 0.000 . 3.500 2.704 2.353 3.129 . 0 0 "[ . 1 . 2 ]" 1
298 1 36 MET HB3 1 39 ASN H 0.000 . 5.000 5.044 5.012 5.077 0.077 20 0 "[ . 1 . 2 ]" 1
299 1 36 MET HB3 1 40 LYS H 0.000 . 5.000 5.038 5.017 5.076 0.076 10 0 "[ . 1 . 2 ]" 1
300 1 36 MET HG2 1 37 PHE H 0.000 . 5.000 4.621 4.399 5.018 0.018 19 0 "[ . 1 . 2 ]" 1
301 1 36 MET HG3 1 37 PHE H 0.000 . 5.000 4.677 4.575 4.858 . 0 0 "[ . 1 . 2 ]" 1
302 1 37 PHE H 1 37 PHE HB2 0.000 . 3.500 3.164 3.068 3.273 . 0 0 "[ . 1 . 2 ]" 1
303 1 37 PHE H 1 37 PHE HB3 0.000 . 2.700 1.968 1.952 1.993 . 0 0 "[ . 1 . 2 ]" 1
304 1 37 PHE H 1 38 ILE H 0.000 . 3.500 3.000 2.867 3.114 . 0 0 "[ . 1 . 2 ]" 1
305 1 37 PHE HA 1 38 ILE H 0.000 . 5.000 3.598 3.579 3.611 . 0 0 "[ . 1 . 2 ]" 1
306 1 37 PHE HA 1 40 LYS HB2 0.000 . 5.000 2.573 2.034 3.669 . 0 0 "[ . 1 . 2 ]" 1
307 1 37 PHE HB2 1 38 ILE H 0.000 . 5.000 4.018 3.965 4.107 . 0 0 "[ . 1 . 2 ]" 1
308 1 37 PHE HB3 1 38 ILE H 0.000 . 3.500 3.092 2.951 3.321 . 0 0 "[ . 1 . 2 ]" 1
309 1 37 PHE QE 1 38 ILE MD 0.000 . 5.000 2.663 1.887 2.904 . 0 0 "[ . 1 . 2 ]" 1
310 1 37 PHE HZ 1 38 ILE H 0.000 . 5.000 5.093 5.028 5.138 0.138 13 0 "[ . 1 . 2 ]" 1
311 1 37 PHE HZ 1 38 ILE HA 0.000 . 5.000 4.131 4.045 4.248 . 0 0 "[ . 1 . 2 ]" 1
312 1 37 PHE HZ 1 38 ILE MD 0.000 . 5.000 4.187 2.463 4.535 . 0 0 "[ . 1 . 2 ]" 1
313 1 37 PHE HZ 1 38 ILE HG13 0.000 . 5.000 4.237 4.031 5.100 0.100 20 0 "[ . 1 . 2 ]" 1
314 1 37 PHE HZ 1 38 ILE MG 0.000 . 5.000 5.004 4.895 5.049 0.049 20 0 "[ . 1 . 2 ]" 1
315 1 38 ILE H 1 38 ILE HB 0.000 . 3.500 2.356 2.312 2.439 . 0 0 "[ . 1 . 2 ]" 1
316 1 38 ILE H 1 39 ASN H 0.000 . 3.500 2.804 2.735 2.858 . 0 0 "[ . 1 . 2 ]" 1
317 1 38 ILE HA 1 39 ASN H 0.000 . 3.500 3.550 3.535 3.561 0.061 19 0 "[ . 1 . 2 ]" 1
318 1 38 ILE HA 1 40 LYS H 0.000 . 5.000 4.309 4.136 4.507 . 0 0 "[ . 1 . 2 ]" 1
319 1 38 ILE HB 1 39 ASN H 0.000 . 3.500 2.594 2.369 2.699 . 0 0 "[ . 1 . 2 ]" 1
320 1 38 ILE HG12 1 39 ASN H 0.000 . 5.000 4.853 4.328 4.943 . 0 0 "[ . 1 . 2 ]" 1
321 1 38 ILE HG13 1 39 ASN H 0.000 . 5.000 4.423 4.137 4.895 . 0 0 "[ . 1 . 2 ]" 1
322 1 38 ILE MG 1 39 ASN H 0.000 . 5.000 3.270 3.163 3.446 . 0 0 "[ . 1 . 2 ]" 1
323 1 38 ILE MG 1 42 ALA H 0.000 . 5.000 4.566 3.987 4.913 . 0 0 "[ . 1 . 2 ]" 1
324 1 39 ASN H 1 40 LYS H 0.000 . 5.000 2.554 2.393 2.699 . 0 0 "[ . 1 . 2 ]" 1
325 1 39 ASN H 1 41 CYS H 0.000 . 5.000 3.837 3.684 4.135 . 0 0 "[ . 1 . 2 ]" 1
326 1 39 ASN HA 1 40 LYS H 0.000 . 3.500 3.527 3.474 3.550 0.050 8 0 "[ . 1 . 2 ]" 1
327 1 39 ASN HA 1 41 CYS H 0.000 . 5.000 4.215 3.952 4.424 . 0 0 "[ . 1 . 2 ]" 1
328 1 39 ASN HA 1 42 ALA H 0.000 . 5.000 4.636 4.299 5.015 0.015 13 0 "[ . 1 . 2 ]" 1
329 1 39 ASN HA 1 42 ALA MB 0.000 . 5.000 4.383 3.866 4.858 . 0 0 "[ . 1 . 2 ]" 1
330 1 39 ASN HA 1 43 THR H 0.000 . 5.000 4.928 4.601 5.031 0.031 15 0 "[ . 1 . 2 ]" 1
331 1 39 ASN HB2 1 40 LYS H 0.000 . 5.000 2.713 2.515 3.018 . 0 0 "[ . 1 . 2 ]" 1
332 1 39 ASN HB3 1 40 LYS H 0.000 . 5.000 3.678 3.372 3.938 . 0 0 "[ . 1 . 2 ]" 1
333 1 39 ASN HD21 1 40 LYS H 0.000 . 5.000 4.820 4.400 5.023 0.023 4 0 "[ . 1 . 2 ]" 1
334 1 40 LYS H 1 41 CYS H 0.000 . 3.500 2.348 2.171 2.606 . 0 0 "[ . 1 . 2 ]" 1
335 1 40 LYS H 1 42 ALA H 0.000 . 5.000 4.990 4.709 5.036 0.036 10 0 "[ . 1 . 2 ]" 1
336 1 40 LYS H 1 43 THR H 0.000 . 5.000 4.951 4.853 5.025 0.025 9 0 "[ . 1 . 2 ]" 1
337 1 40 LYS H 1 43 THR HB 0.000 . 5.000 4.762 4.462 4.955 . 0 0 "[ . 1 . 2 ]" 1
338 1 40 LYS HA 1 41 CYS H 0.000 . 5.000 3.477 3.419 3.562 . 0 0 "[ . 1 . 2 ]" 1
339 1 40 LYS HB2 1 41 CYS H 0.000 . 3.500 3.259 2.829 4.064 0.564 7 2 "[ . + -1 . 2 ]" 1
340 1 40 LYS HB3 1 41 CYS H 0.000 . 5.000 3.556 2.794 4.035 . 0 0 "[ . 1 . 2 ]" 1
341 1 40 LYS QG 1 41 CYS H 0.000 . 5.000 4.275 3.875 4.492 . 0 0 "[ . 1 . 2 ]" 1
342 1 40 LYS QG 1 44 CYS H 0.000 . 5.000 4.494 3.071 5.010 0.010 14 0 "[ . 1 . 2 ]" 1
343 1 41 CYS H 1 41 CYS HB2 0.000 . 2.700 2.367 2.021 2.629 . 0 0 "[ . 1 . 2 ]" 1
344 1 41 CYS H 1 41 CYS HB3 0.000 . 3.500 2.539 2.234 2.980 . 0 0 "[ . 1 . 2 ]" 1
345 1 41 CYS H 1 42 ALA H 0.000 . 3.500 3.161 2.943 3.315 . 0 0 "[ . 1 . 2 ]" 1
346 1 41 CYS HA 1 42 ALA H 0.000 . 5.000 3.568 3.546 3.590 . 0 0 "[ . 1 . 2 ]" 1
347 1 41 CYS HB2 1 42 ALA H 0.000 . 3.500 3.416 3.160 3.535 0.035 17 0 "[ . 1 . 2 ]" 1
348 1 41 CYS HB3 1 42 ALA H 0.000 . 3.500 1.986 1.814 2.080 . 0 0 "[ . 1 . 2 ]" 1
349 1 42 ALA H 1 43 THR H 0.000 . 3.500 2.727 2.499 2.923 . 0 0 "[ . 1 . 2 ]" 1
350 1 42 ALA H 1 44 CYS H 0.000 . 5.000 4.388 4.044 4.781 . 0 0 "[ . 1 . 2 ]" 1
351 1 42 ALA H 1 45 LYS H 0.000 . 5.000 4.886 4.617 5.019 0.019 19 0 "[ . 1 . 2 ]" 1
352 1 42 ALA HA 1 43 THR H 0.000 . 5.000 3.535 3.521 3.559 . 0 0 "[ . 1 . 2 ]" 1
353 1 42 ALA HA 1 44 CYS H 0.000 . 5.000 4.578 3.911 5.038 0.038 17 0 "[ . 1 . 2 ]" 1
354 1 42 ALA HA 1 45 LYS H 0.000 . 5.000 3.689 3.394 3.894 . 0 0 "[ . 1 . 2 ]" 1
355 1 42 ALA HA 1 45 LYS QB 0.000 . 5.000 2.900 2.409 3.877 . 0 0 "[ . 1 . 2 ]" 1
356 1 42 ALA HA 1 45 LYS QD 0.000 . 5.000 3.231 2.514 4.236 . 0 0 "[ . 1 . 2 ]" 1
357 1 42 ALA MB 1 43 THR H 0.000 . 2.700 2.655 2.545 2.729 0.029 12 0 "[ . 1 . 2 ]" 1
358 1 42 ALA MB 1 44 CYS H 0.000 . 5.000 4.636 4.326 4.928 . 0 0 "[ . 1 . 2 ]" 1
359 1 42 ALA MB 1 45 LYS H 0.000 . 5.000 4.772 4.549 5.024 0.024 21 0 "[ . 1 . 2 ]" 1
360 1 42 ALA MB 1 45 LYS QD 0.000 . 5.000 4.025 3.520 4.911 . 0 0 "[ . 1 . 2 ]" 1
361 1 43 THR H 1 43 THR HB 0.000 . 2.700 2.410 2.263 2.604 . 0 0 "[ . 1 . 2 ]" 1
362 1 43 THR H 1 44 CYS H 0.000 . 3.500 2.625 2.384 2.913 . 0 0 "[ . 1 . 2 ]" 1
363 1 43 THR H 1 45 LYS H 0.000 . 5.000 4.045 3.720 4.433 . 0 0 "[ . 1 . 2 ]" 1
364 1 43 THR H 1 46 MET H 0.000 . 5.000 5.028 4.955 5.074 0.074 4 0 "[ . 1 . 2 ]" 1
365 1 43 THR HA 1 44 CYS H 0.000 . 5.000 3.544 3.454 3.593 . 0 0 "[ . 1 . 2 ]" 1
366 1 43 THR HA 1 46 MET H 0.000 . 5.000 3.744 3.358 4.100 . 0 0 "[ . 1 . 2 ]" 1
367 1 43 THR HA 1 46 MET QB 0.000 . 5.000 3.764 3.473 4.104 . 0 0 "[ . 1 . 2 ]" 1
368 1 43 THR HB 1 44 CYS H 0.000 . 3.500 2.514 2.063 3.057 . 0 0 "[ . 1 . 2 ]" 1
369 1 43 THR HG1 1 44 CYS H 0.000 . 5.000 3.324 3.004 3.676 . 0 0 "[ . 1 . 2 ]" 1
370 1 44 CYS H 1 45 LYS H 0.000 . 5.000 2.622 2.395 2.950 . 0 0 "[ . 1 . 2 ]" 1
371 1 44 CYS H 1 46 MET H 0.000 . 5.000 4.254 3.584 4.723 . 0 0 "[ . 1 . 2 ]" 1
372 1 44 CYS H 1 47 ILE MD 0.000 . 5.000 5.004 4.880 5.034 0.034 10 0 "[ . 1 . 2 ]" 1
373 1 44 CYS HA 1 45 LYS H 0.000 . 5.000 3.551 3.488 3.595 . 0 0 "[ . 1 . 2 ]" 1
374 1 44 CYS HA 1 46 MET H 0.000 . 5.000 4.362 3.858 4.731 . 0 0 "[ . 1 . 2 ]" 1
375 1 44 CYS HA 1 47 ILE H 0.000 . 3.500 3.336 3.187 3.505 0.005 5 0 "[ . 1 . 2 ]" 1
376 1 44 CYS HA 1 47 ILE HB 0.000 . 5.000 3.154 2.617 3.478 . 0 0 "[ . 1 . 2 ]" 1
377 1 45 LYS H 1 46 MET H 0.000 . 3.500 2.795 2.659 2.889 . 0 0 "[ . 1 . 2 ]" 1
378 1 45 LYS H 1 47 ILE H 0.000 . 5.000 4.006 3.819 4.220 . 0 0 "[ . 1 . 2 ]" 1
379 1 45 LYS HA 1 46 MET H 0.000 . 5.000 3.564 3.490 3.596 . 0 0 "[ . 1 . 2 ]" 1
380 1 45 LYS HA 1 48 LEU H 0.000 . 5.000 3.690 3.470 3.859 . 0 0 "[ . 1 . 2 ]" 1
381 1 45 LYS HA 1 49 GLU H 0.000 . 5.000 4.945 4.667 5.023 0.023 7 0 "[ . 1 . 2 ]" 1
382 1 45 LYS QB 1 46 MET H 0.000 . 3.500 2.661 2.282 3.540 0.040 7 0 "[ . 1 . 2 ]" 1
383 1 45 LYS QD 1 46 MET H 0.000 . 3.500 3.461 3.099 3.582 0.082 14 0 "[ . 1 . 2 ]" 1
384 1 45 LYS QG 1 46 MET H 0.000 . 3.500 3.035 1.804 3.495 . 0 0 "[ . 1 . 2 ]" 1
385 1 45 LYS QG 1 46 MET HA 0.000 . 3.500 3.515 3.498 3.558 0.058 14 0 "[ . 1 . 2 ]" 1
386 1 46 MET H 1 46 MET HG2 0.000 . 2.700 2.560 2.304 2.729 0.029 9 0 "[ . 1 . 2 ]" 1
387 1 46 MET H 1 46 MET HG3 0.000 . 3.500 2.426 1.856 2.688 . 0 0 "[ . 1 . 2 ]" 1
388 1 46 MET H 1 47 ILE H 0.000 . 3.500 2.591 2.396 2.714 . 0 0 "[ . 1 . 2 ]" 1
389 1 46 MET H 1 49 GLU H 0.000 . 5.000 5.036 5.021 5.070 0.070 9 0 "[ . 1 . 2 ]" 1
390 1 46 MET HA 1 47 ILE H 0.000 . 5.000 3.492 3.464 3.534 . 0 0 "[ . 1 . 2 ]" 1
391 1 46 MET HA 1 49 GLU HB3 0.000 . 5.000 4.075 3.657 4.387 . 0 0 "[ . 1 . 2 ]" 1
392 1 46 MET QB 1 47 ILE H 0.000 . 3.500 3.544 3.416 3.582 0.082 15 0 "[ . 1 . 2 ]" 1
393 1 46 MET HG2 1 47 ILE H 0.000 . 5.000 3.457 3.275 3.667 . 0 0 "[ . 1 . 2 ]" 1
394 1 46 MET HG3 1 47 ILE HB 0.000 . 5.000 4.147 4.066 4.258 . 0 0 "[ . 1 . 2 ]" 1
395 1 46 MET HG3 1 48 LEU QD 0.000 . 5.000 4.854 4.361 4.952 . 0 0 "[ . 1 . 2 ]" 1
396 1 47 ILE H 1 47 ILE HB 0.000 . 2.700 2.512 2.453 2.578 . 0 0 "[ . 1 . 2 ]" 1
397 1 47 ILE H 1 47 ILE HG12 0.000 . 2.700 1.869 1.842 1.973 . 0 0 "[ . 1 . 2 ]" 1
398 1 47 ILE H 1 47 ILE HG13 0.000 . 3.500 3.412 3.311 3.504 0.004 17 0 "[ . 1 . 2 ]" 1
399 1 47 ILE H 1 48 LEU H 0.000 . 3.500 2.685 2.525 2.782 . 0 0 "[ . 1 . 2 ]" 1
400 1 47 ILE H 1 49 GLU H 0.000 . 5.000 4.153 4.055 4.237 . 0 0 "[ . 1 . 2 ]" 1
401 1 47 ILE HA 1 48 LEU H 0.000 . 5.000 3.550 3.496 3.569 . 0 0 "[ . 1 . 2 ]" 1
402 1 47 ILE HA 1 49 GLU H 0.000 . 5.000 4.510 4.282 4.634 . 0 0 "[ . 1 . 2 ]" 1
403 1 47 ILE HA 1 50 LYS H 0.000 . 5.000 3.715 3.393 3.892 . 0 0 "[ . 1 . 2 ]" 1
404 1 47 ILE HA 1 50 LYS QB 0.000 . 5.000 3.327 2.275 4.354 . 0 0 "[ . 1 . 2 ]" 1
405 1 47 ILE HB 1 48 LEU H 0.000 . 3.500 2.562 2.364 2.871 . 0 0 "[ . 1 . 2 ]" 1
406 1 47 ILE MD 1 50 LYS QG 0.000 . 3.500 3.479 3.222 3.528 0.028 17 0 "[ . 1 . 2 ]" 1
407 1 47 ILE MG 1 50 LYS H 0.000 . 5.000 4.639 4.416 4.829 . 0 0 "[ . 1 . 2 ]" 1
408 1 48 LEU H 1 49 GLU H 0.000 . 3.500 2.579 2.418 2.726 . 0 0 "[ . 1 . 2 ]" 1
409 1 48 LEU H 1 50 LYS H 0.000 . 5.000 3.977 3.680 4.188 . 0 0 "[ . 1 . 2 ]" 1
410 1 48 LEU HA 1 51 GLU QB 0.000 . 5.000 3.261 1.913 4.169 . 0 0 "[ . 1 . 2 ]" 1
411 1 48 LEU QB 1 49 GLU H 0.000 . 3.500 2.519 2.443 2.623 . 0 0 "[ . 1 . 2 ]" 1
412 1 48 LEU QD 1 49 GLU H 0.000 . 5.000 3.626 3.417 3.884 . 0 0 "[ . 1 . 2 ]" 1
413 1 48 LEU QD 1 49 GLU HG3 0.000 . 5.000 4.816 4.125 5.860 0.860 9 5 "[ * . *+1* -. 2 ]" 1
414 1 48 LEU QD 1 51 GLU H 0.000 . 5.000 4.528 4.236 4.810 . 0 0 "[ . 1 . 2 ]" 1
415 1 48 LEU HG 1 49 GLU H 0.000 . 5.000 4.813 4.350 5.024 0.024 14 0 "[ . 1 . 2 ]" 1
416 1 49 GLU H 1 49 GLU HG2 0.000 . 3.500 2.683 1.909 3.240 . 0 0 "[ . 1 . 2 ]" 1
417 1 49 GLU H 1 49 GLU HG3 0.000 . 2.700 2.429 1.873 3.330 0.630 2 5 "[ + . *-1* *. 2 ]" 1
418 1 49 GLU H 1 50 LYS H 0.000 . 3.500 2.695 2.413 2.828 . 0 0 "[ . 1 . 2 ]" 1
419 1 49 GLU HA 1 50 LYS H 0.000 . 3.500 3.496 3.442 3.516 0.016 2 0 "[ . 1 . 2 ]" 1
420 1 49 GLU HA 1 52 ALA H 0.000 . 5.000 3.643 3.268 4.852 . 0 0 "[ . 1 . 2 ]" 1
421 1 49 GLU HA 1 52 ALA MB 0.000 . 5.000 2.990 2.066 4.726 . 0 0 "[ . 1 . 2 ]" 1
422 1 49 GLU QB 1 50 LYS H 0.000 . 3.500 2.849 2.730 3.509 0.009 9 0 "[ . 1 . 2 ]" 1
423 1 49 GLU HG2 1 50 LYS H 0.000 . 5.000 4.627 2.433 5.006 0.006 15 0 "[ . 1 . 2 ]" 1
424 1 49 GLU HG3 1 50 LYS H 0.000 . 5.000 4.435 2.383 5.004 0.004 2 0 "[ . 1 . 2 ]" 1
425 1 50 LYS H 1 51 GLU H 0.000 . 3.500 2.570 2.045 2.837 . 0 0 "[ . 1 . 2 ]" 1
426 1 51 GLU HA 1 52 ALA H 0.000 . 3.500 3.504 3.472 3.521 0.021 6 0 "[ . 1 . 2 ]" 1
427 1 51 GLU QB 1 52 ALA H 0.000 . 5.000 2.839 2.708 3.612 . 0 0 "[ . 1 . 2 ]" 1
428 1 51 GLU QB 1 52 ALA HA 0.000 . 5.000 4.106 4.001 4.484 . 0 0 "[ . 1 . 2 ]" 1
429 1 52 ALA H 1 53 LYS H 0.000 . 5.000 3.403 2.423 4.671 . 0 0 "[ . 1 . 2 ]" 1
430 1 52 ALA H 1 54 SER H 0.000 . 5.000 4.496 4.057 4.970 . 0 0 "[ . 1 . 2 ]" 1
431 1 52 ALA HA 1 53 LYS H 0.000 . 3.500 2.988 2.221 3.510 0.010 5 0 "[ . 1 . 2 ]" 1
432 1 52 ALA HA 1 54 SER H 0.000 . 5.000 4.128 3.690 4.908 . 0 0 "[ . 1 . 2 ]" 1
433 1 53 LYS H 1 54 SER H 0.000 . 3.500 2.591 2.346 3.043 . 0 0 "[ . 1 . 2 ]" 1
434 1 53 LYS HA 1 55 GLN H 0.000 . 5.000 3.860 3.100 4.987 . 0 0 "[ . 1 . 2 ]" 1
435 1 53 LYS QB 1 54 SER H 0.000 . 5.000 3.026 2.567 3.907 . 0 0 "[ . 1 . 2 ]" 1
436 1 53 LYS QG 1 54 SER H 0.000 . 5.000 4.123 3.702 4.449 . 0 0 "[ . 1 . 2 ]" 1
437 1 54 SER H 1 55 GLN H 0.000 . 5.000 2.668 2.455 4.135 . 0 0 "[ . 1 . 2 ]" 1
438 1 54 SER HA 1 55 GLN H 0.000 . 3.500 3.344 2.294 3.499 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 2, 2024 10:07:28 AM GMT (wattos1)