NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443488 |
2kes   |
16156 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kes
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 518
_Distance_constraint_stats_list.Viol_count 781
_Distance_constraint_stats_list.Viol_total 1291.691
_Distance_constraint_stats_list.Viol_max 0.887
_Distance_constraint_stats_list.Viol_rms 0.0580
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.1103
_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 VAL 3.398 0.700 7 2 "[- . + 1 .]"
1 4 GLU 7.761 0.866 11 4 "[ . - 1+* *]"
1 5 THR 1.046 0.481 15 0 "[ . 1 .]"
1 6 CYS 0.350 0.167 11 0 "[ . 1 .]"
1 7 MET 5.705 0.866 11 2 "[- . 1+ .]"
1 8 SER 0.025 0.025 10 0 "[ . 1 .]"
1 9 LEU 3.459 0.489 12 0 "[ . 1 .]"
1 10 ALA 4.413 0.489 12 0 "[ . 1 .]"
1 11 SER 4.548 0.541 11 2 "[ -. 1+ .]"
1 12 GLN 4.763 0.669 2 2 "[ + . 1 - .]"
1 13 VAL 0.481 0.299 1 0 "[ . 1 .]"
1 14 VAL 2.024 0.708 3 2 "[ + . 1 - .]"
1 15 LYS 3.037 0.708 3 2 "[ + . 1 - .]"
1 16 LEU 1.394 0.299 1 0 "[ . 1 .]"
1 17 THR 1.768 0.217 15 0 "[ . 1 .]"
1 18 LYS 2.907 0.162 6 0 "[ . 1 .]"
1 20 LEU 0.797 0.083 7 0 "[ . 1 .]"
1 21 LYS 0.640 0.058 15 0 "[ . 1 .]"
1 22 GLU 2.388 0.164 13 0 "[ . 1 .]"
1 23 GLN 1.649 0.600 6 2 "[ .+ - .]"
1 24 THR 0.484 0.110 14 0 "[ . 1 .]"
1 25 VAL 0.139 0.058 8 0 "[ . 1 .]"
1 26 GLU 2.156 0.091 10 0 "[ . 1 .]"
1 27 ARG 2.537 0.226 8 0 "[ . 1 .]"
1 28 VAL 0.370 0.060 12 0 "[ . 1 .]"
1 29 THR 0.021 0.017 14 0 "[ . 1 .]"
1 30 LEU 0.914 0.092 7 0 "[ . 1 .]"
1 31 GLN 3.908 0.127 4 0 "[ . 1 .]"
1 32 ASN 2.107 0.127 4 0 "[ . 1 .]"
1 33 GLN 0.449 0.114 11 0 "[ . 1 .]"
1 34 LEU 1.567 0.112 12 0 "[ . 1 .]"
1 35 GLN 3.315 0.348 11 0 "[ . 1 .]"
1 36 GLN 9.568 0.732 13 2 "[ . 1 +-.]"
1 37 PHE 3.321 0.385 8 0 "[ . 1 .]"
1 38 LEU 4.115 0.174 6 0 "[ . 1 .]"
1 39 GLU 3.636 0.174 6 0 "[ . 1 .]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 41 GLN 0.368 0.077 13 0 "[ . 1 .]"
1 42 LYS 16.849 0.814 1 5 "[+ *.* -1 * .]"
1 43 SER 2.666 0.887 9 1 "[ . +1 .]"
1 44 GLU 3.182 0.887 9 1 "[ . +1 .]"
1 45 GLY 0.143 0.050 2 0 "[ . 1 .]"
1 46 LYS 2.746 0.247 15 0 "[ . 1 .]"
1 47 SER 0.762 0.097 1 0 "[ . 1 .]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 VAL H 1 3 VAL HA 2.871 . 3.901 2.779 2.260 2.953 . 0 0 "[ . 1 .]" 1
2 1 3 VAL H 1 3 VAL HB 2.729 . 3.660 2.732 2.455 3.731 0.071 5 0 "[ . 1 .]" 1
3 1 3 VAL H 1 3 VAL MG1 3.315 . 4.689 3.586 1.964 4.086 . 0 0 "[ . 1 .]" 1
4 1 3 VAL H 1 4 GLU H 3.550 . 5.126 2.589 2.052 3.535 . 0 0 "[ . 1 .]" 1
5 1 3 VAL HA 1 3 VAL HB 2.702 . 3.615 2.943 2.393 3.028 . 0 0 "[ . 1 .]" 1
6 1 3 VAL HA 1 3 VAL MG1 2.007 . 2.511 2.479 2.291 3.211 0.700 7 2 "[- . + 1 .]" 1
7 1 3 VAL HA 1 4 GLU H 2.899 . 3.950 3.482 3.025 3.578 . 0 0 "[ . 1 .]" 1
8 1 3 VAL HA 1 6 CYS HB2 4.000 . 6.000 3.496 2.460 5.118 . 0 0 "[ . 1 .]" 1
9 1 3 VAL HA 1 6 CYS HB3 3.820 . 5.644 3.918 2.142 5.811 0.167 11 0 "[ . 1 .]" 1
10 1 3 VAL HB 1 4 GLU H 2.953 . 4.043 2.920 2.266 4.005 . 0 0 "[ . 1 .]" 1
11 1 3 VAL MG1 1 4 GLU H 3.236 . 4.545 3.372 2.009 4.199 . 0 0 "[ . 1 .]" 1
12 1 3 VAL MG1 1 7 MET HB2 3.039 . 4.193 3.125 2.268 4.849 0.656 1 1 "[+ . 1 .]" 1
13 1 3 VAL MG1 1 7 MET HB3 3.284 . 4.632 4.002 3.438 5.203 0.571 1 1 "[+ . 1 .]" 1
14 1 4 GLU H 1 4 GLU HA 2.963 . 4.061 2.789 2.761 2.825 . 0 0 "[ . 1 .]" 1
15 1 4 GLU H 1 4 GLU HB3 2.523 . 3.319 2.673 2.275 3.535 0.216 9 0 "[ . 1 .]" 1
16 1 4 GLU H 1 4 GLU HG3 3.066 . 4.241 3.532 2.045 4.482 0.241 7 0 "[ . 1 .]" 1
17 1 4 GLU H 1 5 THR H 3.156 . 4.401 2.730 2.594 2.902 . 0 0 "[ . 1 .]" 1
18 1 4 GLU HA 1 4 GLU HB3 1.882 . 2.325 2.528 2.361 3.018 0.693 12 3 "[ . - 1 + *]" 1
19 1 4 GLU HA 1 4 GLU HG3 2.859 . 3.880 3.628 2.585 4.261 0.381 1 0 "[ . 1 .]" 1
20 1 4 GLU HA 1 5 THR H 2.782 . 3.750 3.526 3.473 3.574 . 0 0 "[ . 1 .]" 1
21 1 4 GLU HA 1 7 MET HB2 3.290 . 4.643 3.789 3.174 5.509 0.866 11 1 "[ . 1+ .]" 1
22 1 4 GLU HG3 1 5 THR H 3.123 . 4.342 3.475 1.907 4.823 0.481 15 0 "[ . 1 .]" 1
23 1 5 THR H 1 5 THR MG 3.039 . 4.193 3.046 2.455 3.722 . 0 0 "[ . 1 .]" 1
24 1 5 THR HA 1 5 THR MG 2.678 . 3.574 2.250 2.168 2.379 . 0 0 "[ . 1 .]" 1
25 1 5 THR HA 1 6 CYS H 3.184 . 4.451 3.472 2.517 3.589 . 0 0 "[ . 1 .]" 1
26 1 5 THR HA 1 8 SER QB 2.685 . 3.586 2.975 2.488 3.611 0.025 10 0 "[ . 1 .]" 1
27 1 5 THR HB 1 5 THR MG 2.272 . 2.917 2.131 2.120 2.138 . 0 0 "[ . 1 .]" 1
28 1 5 THR HB 1 6 CYS HA 3.082 . 4.269 4.119 3.765 4.287 0.018 12 0 "[ . 1 .]" 1
29 1 6 CYS HA 1 9 LEU HB2 3.683 . 5.379 4.554 3.108 4.804 . 0 0 "[ . 1 .]" 1
30 1 6 CYS HA 1 9 LEU HB3 3.900 . 5.801 4.214 1.995 4.644 0.004 12 0 "[ . 1 .]" 1
31 1 6 CYS HA 1 9 LEU MD1 3.335 . 4.725 2.448 2.195 3.054 . 0 0 "[ . 1 .]" 1
32 1 6 CYS HB2 1 9 LEU MD1 3.265 . 4.597 3.964 3.011 4.747 0.150 12 0 "[ . 1 .]" 1
33 1 6 CYS HB3 1 9 LEU MD1 3.463 . 4.962 3.554 2.826 4.443 . 0 0 "[ . 1 .]" 1
34 1 7 MET HA 1 7 MET HB2 2.681 . 3.580 2.486 2.381 3.002 . 0 0 "[ . 1 .]" 1
35 1 7 MET HA 1 7 MET HG2 2.445 . 3.192 2.921 2.343 3.292 0.100 10 0 "[ . 1 .]" 1
36 1 7 MET HA 1 7 MET HG3 2.648 . 3.524 2.875 2.509 3.638 0.114 13 0 "[ . 1 .]" 1
37 1 7 MET HA 1 10 ALA H 2.903 . 3.957 3.667 3.299 3.829 . 0 0 "[ . 1 .]" 1
38 1 7 MET HA 1 10 ALA MB 2.606 . 3.455 2.616 2.189 2.874 . 0 0 "[ . 1 .]" 1
39 1 7 MET HB2 1 10 ALA MB 4.103 . 6.207 4.796 4.340 5.097 . 0 0 "[ . 1 .]" 1
40 1 7 MET HG2 1 10 ALA MB 3.199 . 4.478 4.529 4.000 4.893 0.415 5 0 "[ . 1 .]" 1
41 1 8 SER HA 1 8 SER QB 2.357 . 3.051 2.356 2.194 2.447 . 0 0 "[ . 1 .]" 1
42 1 8 SER HA 1 9 LEU H 2.895 . 3.943 3.575 3.502 3.592 . 0 0 "[ . 1 .]" 1
43 1 8 SER QB 1 9 LEU H 2.899 . 3.950 2.523 2.356 3.228 . 0 0 "[ . 1 .]" 1
44 1 9 LEU H 1 9 LEU HA 2.158 . 2.740 2.816 2.805 2.821 0.081 11 0 "[ . 1 .]" 1
45 1 9 LEU H 1 9 LEU HB2 3.164 . 4.415 3.546 2.697 3.614 . 0 0 "[ . 1 .]" 1
46 1 9 LEU H 1 9 LEU HB3 2.381 . 3.090 2.810 2.148 2.880 . 0 0 "[ . 1 .]" 1
47 1 9 LEU H 1 9 LEU MD1 2.833 . 3.836 3.300 3.232 3.690 . 0 0 "[ . 1 .]" 1
48 1 9 LEU H 1 9 LEU MD2 3.299 . 4.660 3.333 3.188 4.178 . 0 0 "[ . 1 .]" 1
49 1 9 LEU H 1 9 LEU HG 3.196 . 4.473 2.069 1.885 4.499 0.034 9 0 "[ . 1 .]" 1
50 1 9 LEU HB2 1 9 LEU MD1 2.730 . 3.662 2.198 2.104 3.144 . 0 0 "[ . 1 .]" 1
51 1 9 LEU HB2 1 10 ALA H 2.628 . 3.491 3.612 3.564 3.980 0.489 12 0 "[ . 1 .]" 1
52 1 9 LEU MD1 1 10 ALA MB 2.614 . 3.468 2.431 2.330 2.890 . 0 0 "[ . 1 .]" 1
53 1 10 ALA H 1 10 ALA HA 2.749 . 3.693 2.812 2.795 2.829 . 0 0 "[ . 1 .]" 1
54 1 10 ALA H 1 10 ALA MB 2.754 . 3.702 2.214 2.020 2.236 . 0 0 "[ . 1 .]" 1
55 1 10 ALA HA 1 11 SER H 2.737 . 3.673 3.557 3.536 3.571 . 0 0 "[ . 1 .]" 1
56 1 10 ALA HA 1 13 VAL HB 3.132 . 4.358 2.691 2.416 2.835 . 0 0 "[ . 1 .]" 1
57 1 10 ALA HA 1 13 VAL MG1 3.276 . 4.617 4.038 3.785 4.190 . 0 0 "[ . 1 .]" 1
58 1 10 ALA HA 1 13 VAL MG2 3.632 . 5.281 2.885 2.638 3.183 . 0 0 "[ . 1 .]" 1
59 1 10 ALA HA 1 14 VAL H 3.205 . 4.489 4.089 3.940 4.232 . 0 0 "[ . 1 .]" 1
60 1 10 ALA MB 1 11 SER H 2.963 . 4.061 2.555 2.496 2.658 . 0 0 "[ . 1 .]" 1
61 1 10 ALA MB 1 11 SER HA 3.497 . 5.026 3.855 3.750 3.890 . 0 0 "[ . 1 .]" 1
62 1 10 ALA MB 1 13 VAL HB 3.706 . 5.422 4.001 3.744 4.148 . 0 0 "[ . 1 .]" 1
63 1 11 SER H 1 11 SER HA 2.921 . 3.987 2.830 2.811 2.845 . 0 0 "[ . 1 .]" 1
64 1 11 SER H 1 12 GLN H 3.209 . 4.496 2.616 2.566 2.681 . 0 0 "[ . 1 .]" 1
65 1 11 SER HA 1 11 SER HB3 1.990 . 2.485 2.489 2.358 3.026 0.541 11 2 "[ -. 1+ .]" 1
66 1 11 SER HA 1 12 GLN H 3.231 . 4.536 3.531 3.513 3.555 . 0 0 "[ . 1 .]" 1
67 1 11 SER HA 1 14 VAL H 3.259 . 4.587 3.168 3.020 3.354 . 0 0 "[ . 1 .]" 1
68 1 11 SER HA 1 14 VAL HB 1.801 . 2.206 2.083 1.914 2.234 0.028 6 0 "[ . 1 .]" 1
69 1 11 SER HA 1 14 VAL MG1 2.871 . 3.901 3.362 3.267 3.413 . 0 0 "[ . 1 .]" 1
70 1 11 SER HA 1 14 VAL MG2 3.134 . 4.362 2.952 2.697 3.210 . 0 0 "[ . 1 .]" 1
71 1 11 SER HB3 1 12 GLN H 2.762 . 3.716 3.801 2.603 4.090 0.374 10 0 "[ . 1 .]" 1
72 1 12 GLN H 1 12 GLN HA 2.983 . 4.096 2.811 2.800 2.824 . 0 0 "[ . 1 .]" 1
73 1 12 GLN H 1 12 GLN QB 2.647 . 3.523 2.327 2.212 2.524 . 0 0 "[ . 1 .]" 1
74 1 12 GLN H 1 12 GLN HG3 3.326 . 4.709 3.764 2.080 4.475 . 0 0 "[ . 1 .]" 1
75 1 12 GLN H 1 13 VAL H 2.326 . 3.003 2.725 2.645 2.755 . 0 0 "[ . 1 .]" 1
76 1 12 GLN HA 1 12 GLN QB . . 2.388 2.354 2.324 2.383 . 0 0 "[ . 1 .]" 1
77 1 12 GLN HA 1 12 GLN HG3 2.360 . 3.056 2.922 2.527 3.725 0.669 2 2 "[ + . 1 - .]" 1
78 1 12 GLN HA 1 13 VAL H 2.763 . 3.718 3.553 3.533 3.563 . 0 0 "[ . 1 .]" 1
79 1 12 GLN HA 1 14 VAL H 3.590 . 5.201 4.307 4.224 4.426 . 0 0 "[ . 1 .]" 1
80 1 12 GLN HA 1 15 LYS HB2 2.377 . 3.083 2.585 2.300 2.939 . 0 0 "[ . 1 .]" 1
81 1 12 GLN QB 1 12 GLN HG2 2.067 . 2.601 2.312 2.157 2.410 . 0 0 "[ . 1 .]" 1
82 1 12 GLN QB 1 12 GLN HG3 2.292 . 2.948 2.319 2.156 2.389 . 0 0 "[ . 1 .]" 1
83 1 13 VAL H 1 13 VAL HA 2.939 . 4.019 2.802 2.794 2.824 . 0 0 "[ . 1 .]" 1
84 1 13 VAL H 1 13 VAL HB 2.447 . 3.196 2.533 2.481 2.595 . 0 0 "[ . 1 .]" 1
85 1 13 VAL H 1 13 VAL MG1 2.919 . 3.984 3.773 3.763 3.780 . 0 0 "[ . 1 .]" 1
86 1 13 VAL H 1 14 VAL H 3.082 . 4.269 2.692 2.626 2.719 . 0 0 "[ . 1 .]" 1
87 1 13 VAL HA 1 13 VAL HB 2.846 . 3.858 3.029 3.025 3.032 . 0 0 "[ . 1 .]" 1
88 1 13 VAL HA 1 13 VAL MG1 2.810 . 3.797 2.439 2.377 2.486 . 0 0 "[ . 1 .]" 1
89 1 13 VAL HA 1 13 VAL MG2 2.802 . 3.783 2.362 2.319 2.412 . 0 0 "[ . 1 .]" 1
90 1 13 VAL HA 1 16 LEU HB3 2.969 . 4.071 3.975 3.717 4.370 0.299 1 0 "[ . 1 .]" 1
91 1 13 VAL HA 1 16 LEU MD1 2.946 . 4.031 3.156 2.824 3.786 . 0 0 "[ . 1 .]" 1
92 1 13 VAL HA 1 16 LEU HG 3.621 . 5.260 5.049 4.891 5.233 . 0 0 "[ . 1 .]" 1
93 1 13 VAL MG2 1 14 VAL H 3.355 . 4.762 3.848 3.736 3.918 . 0 0 "[ . 1 .]" 1
94 1 14 VAL H 1 14 VAL HB 2.779 . 3.744 2.201 2.183 2.235 . 0 0 "[ . 1 .]" 1
95 1 14 VAL H 1 14 VAL MG1 2.895 . 3.943 3.617 3.605 3.638 . 0 0 "[ . 1 .]" 1
96 1 14 VAL H 1 14 VAL MG2 2.908 . 3.965 2.581 2.519 2.635 . 0 0 "[ . 1 .]" 1
97 1 14 VAL H 1 15 LYS H 2.958 . 4.052 2.718 2.684 2.756 . 0 0 "[ . 1 .]" 1
98 1 14 VAL HA 1 14 VAL MG1 2.775 . 3.738 2.655 2.627 2.687 . 0 0 "[ . 1 .]" 1
99 1 14 VAL HA 1 15 LYS HD2 3.726 . 5.461 5.135 4.879 5.475 0.014 4 0 "[ . 1 .]" 1
100 1 14 VAL HA 1 17 THR H 3.812 . 5.629 3.438 3.290 3.583 . 0 0 "[ . 1 .]" 1
101 1 14 VAL HA 1 17 THR HB 2.775 . 3.738 3.134 2.312 3.790 0.052 11 0 "[ . 1 .]" 1
102 1 14 VAL HA 1 17 THR MG 2.830 . 3.831 2.519 1.677 3.414 0.152 1 0 "[ . 1 .]" 1
103 1 14 VAL HB 1 14 VAL MG1 3.952 . 5.904 2.112 2.107 2.116 . 0 0 "[ . 1 .]" 1
104 1 14 VAL HB 1 15 LYS H 2.399 . 3.118 2.830 2.760 2.903 . 0 0 "[ . 1 .]" 1
105 1 14 VAL MG1 1 15 LYS H 2.668 . 3.558 2.920 2.868 2.973 . 0 0 "[ . 1 .]" 1
106 1 14 VAL MG1 1 15 LYS HE3 3.036 . 4.188 3.814 3.135 4.896 0.708 3 2 "[ + . 1 - .]" 1
107 1 15 LYS H 1 15 LYS HB2 2.022 . 2.533 2.162 2.056 2.223 . 0 0 "[ . 1 .]" 1
108 1 15 LYS H 1 15 LYS HD2 3.137 . 4.367 2.547 2.285 2.987 . 0 0 "[ . 1 .]" 1
109 1 15 LYS H 1 15 LYS HD3 2.908 . 3.965 3.075 2.844 3.330 . 0 0 "[ . 1 .]" 1
110 1 15 LYS H 1 16 LEU H 2.578 . 3.409 2.678 2.611 2.746 . 0 0 "[ . 1 .]" 1
111 1 15 LYS HA 1 15 LYS HB2 2.606 . 3.455 2.943 2.879 2.973 . 0 0 "[ . 1 .]" 1
112 1 15 LYS HA 1 15 LYS HD2 2.266 . 2.908 2.542 2.183 2.754 . 0 0 "[ . 1 .]" 1
113 1 15 LYS HA 1 15 LYS HD3 2.897 . 3.946 3.812 3.502 3.953 0.007 14 0 "[ . 1 .]" 1
114 1 15 LYS HA 1 15 LYS HE3 3.424 . 4.890 4.668 3.986 4.950 0.060 1 0 "[ . 1 .]" 1
115 1 15 LYS HA 1 15 LYS HG3 2.604 . 3.452 2.328 2.285 2.403 . 0 0 "[ . 1 .]" 1
116 1 15 LYS HA 1 16 LEU H 4.185 . 6.374 3.547 3.519 3.569 . 0 0 "[ . 1 .]" 1
117 1 15 LYS HB2 1 15 LYS HD2 2.145 . 2.720 2.827 2.771 2.903 0.183 4 0 "[ . 1 .]" 1
118 1 15 LYS HB2 1 15 LYS HD3 2.215 . 2.828 2.506 2.341 2.656 . 0 0 "[ . 1 .]" 1
119 1 15 LYS HB2 1 15 LYS HG3 2.323 . 2.997 3.000 2.988 3.008 0.011 6 0 "[ . 1 .]" 1
120 1 15 LYS HB2 1 16 LEU H 2.798 . 3.777 2.898 2.752 3.057 . 0 0 "[ . 1 .]" 1
121 1 16 LEU H 1 16 LEU MD1 3.123 . 4.342 2.157 2.078 2.253 . 0 0 "[ . 1 .]" 1
122 1 16 LEU H 1 17 THR H 3.389 . 4.824 2.696 2.636 2.757 . 0 0 "[ . 1 .]" 1
123 1 16 LEU H 1 17 THR HB 3.550 . 5.125 4.786 4.416 5.128 0.003 11 0 "[ . 1 .]" 1
124 1 16 LEU HA 1 16 LEU MD1 2.215 . 2.828 2.491 2.218 2.743 . 0 0 "[ . 1 .]" 1
125 1 16 LEU HA 1 16 LEU HG 3.134 . 4.362 2.473 2.352 2.650 . 0 0 "[ . 1 .]" 1
126 1 16 LEU HA 1 17 THR H 2.677 . 3.573 3.543 3.509 3.562 . 0 0 "[ . 1 .]" 1
127 1 16 LEU HB3 1 17 THR H 2.443 . 3.189 3.209 3.046 3.406 0.217 15 0 "[ . 1 .]" 1
128 1 16 LEU MD1 1 17 THR H 3.205 . 4.489 4.158 4.081 4.218 . 0 0 "[ . 1 .]" 1
129 1 17 THR H 1 17 THR HB 2.899 . 3.950 2.296 2.057 2.538 . 0 0 "[ . 1 .]" 1
130 1 17 THR H 1 17 THR MG 2.683 . 3.583 2.855 2.242 3.523 . 0 0 "[ . 1 .]" 1
131 1 17 THR H 1 18 LYS H 3.016 . 4.153 2.596 2.505 2.671 . 0 0 "[ . 1 .]" 1
132 1 17 THR HA 1 17 THR MG 2.960 . 4.055 3.006 2.656 3.225 . 0 0 "[ . 1 .]" 1
133 1 17 THR HA 1 18 LYS H 2.723 . 3.650 3.522 3.506 3.544 . 0 0 "[ . 1 .]" 1
134 1 17 THR HA 1 20 LEU HB2 2.119 . 2.680 2.574 2.244 2.763 0.083 7 0 "[ . 1 .]" 1
135 1 17 THR HA 1 20 LEU HB3 3.409 . 4.862 4.128 3.802 4.314 . 0 0 "[ . 1 .]" 1
136 1 17 THR HA 1 20 LEU MD1 3.007 . 4.138 2.132 1.869 3.043 0.007 1 0 "[ . 1 .]" 1
137 1 17 THR HB 1 18 LYS H 3.112 . 4.323 3.477 2.799 3.983 . 0 0 "[ . 1 .]" 1
138 1 17 THR MG 1 18 LYS H 2.989 . 4.106 2.494 2.132 2.894 . 0 0 "[ . 1 .]" 1
139 1 17 THR MG 1 18 LYS QE 2.991 . 4.109 3.749 3.121 3.885 . 0 0 "[ . 1 .]" 1
140 1 18 LYS H 1 18 LYS HA 2.826 . 3.824 2.817 2.795 2.844 . 0 0 "[ . 1 .]" 1
141 1 18 LYS H 1 18 LYS HB2 2.785 . 3.755 2.535 2.390 2.702 . 0 0 "[ . 1 .]" 1
142 1 18 LYS H 1 18 LYS HB3 2.736 . 3.672 2.510 2.280 2.647 . 0 0 "[ . 1 .]" 1
143 1 18 LYS H 1 18 LYS HD3 3.344 . 4.742 4.576 4.464 4.756 0.014 2 0 "[ . 1 .]" 1
144 1 18 LYS H 1 18 LYS HG3 3.294 . 4.650 4.438 4.291 4.510 . 0 0 "[ . 1 .]" 1
145 1 18 LYS HA 1 18 LYS HB2 2.600 . 3.445 2.459 2.357 2.530 . 0 0 "[ . 1 .]" 1
146 1 18 LYS HA 1 18 LYS HB3 2.577 . 3.407 3.024 3.007 3.029 . 0 0 "[ . 1 .]" 1
147 1 18 LYS HA 1 18 LYS HD2 2.844 . 3.855 3.702 3.562 3.893 0.038 2 0 "[ . 1 .]" 1
148 1 18 LYS HA 1 18 LYS HD3 1.982 . 2.473 2.092 1.938 2.397 . 0 0 "[ . 1 .]" 1
149 1 18 LYS HA 1 18 LYS QE 2.341 . 3.026 2.780 2.235 2.980 . 0 0 "[ . 1 .]" 1
150 1 18 LYS HA 1 18 LYS HG3 2.818 . 3.811 3.101 2.911 3.402 . 0 0 "[ . 1 .]" 1
151 1 18 LYS HB2 1 18 LYS HD2 2.732 . 3.665 3.696 3.668 3.719 0.054 13 0 "[ . 1 .]" 1
152 1 18 LYS HB2 1 18 LYS HD3 2.644 . 3.518 3.016 2.924 3.206 . 0 0 "[ . 1 .]" 1
153 1 18 LYS HB2 1 18 LYS QE 2.199 . 2.804 1.938 1.839 2.041 . 0 0 "[ . 1 .]" 1
154 1 18 LYS HB2 1 18 LYS HG3 2.228 . 2.848 3.007 3.002 3.010 0.162 6 0 "[ . 1 .]" 1
155 1 18 LYS HB3 1 18 LYS QE 2.703 . 3.616 3.414 3.319 3.561 . 0 0 "[ . 1 .]" 1
156 1 18 LYS HD2 1 18 LYS QE 2.615 . 3.470 2.349 2.323 2.401 . 0 0 "[ . 1 .]" 1
157 1 20 LEU H 1 20 LEU HB2 2.875 . 3.908 2.450 2.405 2.471 . 0 0 "[ . 1 .]" 1
158 1 20 LEU H 1 20 LEU HB3 3.192 . 4.466 3.574 3.560 3.586 . 0 0 "[ . 1 .]" 1
159 1 20 LEU H 1 20 LEU MD1 2.820 . 3.814 3.515 3.484 3.527 . 0 0 "[ . 1 .]" 1
160 1 20 LEU H 1 21 LYS H 2.908 . 3.965 2.715 2.678 2.764 . 0 0 "[ . 1 .]" 1
161 1 20 LEU HA 1 20 LEU HB3 2.787 . 3.758 2.497 2.485 2.515 . 0 0 "[ . 1 .]" 1
162 1 20 LEU HB2 1 20 LEU MD1 2.338 . 3.021 2.201 2.173 2.222 . 0 0 "[ . 1 .]" 1
163 1 20 LEU HB2 1 21 LYS H 2.614 . 3.468 2.422 2.398 2.474 . 0 0 "[ . 1 .]" 1
164 1 20 LEU HB3 1 20 LEU MD1 2.292 . 2.948 2.430 2.409 2.464 . 0 0 "[ . 1 .]" 1
165 1 20 LEU HB3 1 21 LYS H 2.572 . 3.399 3.442 3.414 3.457 0.058 15 0 "[ . 1 .]" 1
166 1 20 LEU MD1 1 21 LYS H 3.218 . 4.512 4.254 4.238 4.276 . 0 0 "[ . 1 .]" 1
167 1 21 LYS H 1 21 LYS HA 2.750 . 3.695 2.804 2.778 2.831 . 0 0 "[ . 1 .]" 1
168 1 22 GLU H 1 22 GLU HA 2.847 . 3.861 2.827 2.808 2.853 . 0 0 "[ . 1 .]" 1
169 1 22 GLU H 1 22 GLU HB3 2.603 . 3.450 3.601 3.589 3.614 0.164 13 0 "[ . 1 .]" 1
170 1 22 GLU H 1 22 GLU HG2 3.141 . 4.374 3.300 2.605 3.577 . 0 0 "[ . 1 .]" 1
171 1 22 GLU H 1 22 GLU HG3 2.145 . 2.720 2.362 2.160 2.571 . 0 0 "[ . 1 .]" 1
172 1 22 GLU H 1 23 GLN H 3.021 . 4.162 2.648 2.590 2.765 . 0 0 "[ . 1 .]" 1
173 1 22 GLU HA 1 22 GLU HG2 2.368 . 3.069 2.423 2.280 2.538 . 0 0 "[ . 1 .]" 1
174 1 22 GLU HA 1 25 VAL H 2.636 . 3.504 3.349 3.137 3.468 . 0 0 "[ . 1 .]" 1
175 1 22 GLU HA 1 25 VAL MG1 2.733 . 3.667 3.349 3.183 3.439 . 0 0 "[ . 1 .]" 1
176 1 22 GLU HA 1 25 VAL MG2 2.545 . 3.355 1.792 1.677 1.956 0.058 8 0 "[ . 1 .]" 1
177 1 22 GLU HB3 1 22 GLU HG2 2.606 . 3.455 2.527 2.442 2.718 . 0 0 "[ . 1 .]" 1
178 1 23 GLN H 1 23 GLN HA 2.838 . 3.845 2.814 2.805 2.833 . 0 0 "[ . 1 .]" 1
179 1 23 GLN H 1 23 GLN HB2 2.956 . 4.048 2.535 2.158 2.660 . 0 0 "[ . 1 .]" 1
180 1 23 GLN HA 1 23 GLN HB2 1.948 . 2.422 2.529 2.396 3.022 0.600 6 2 "[ .+ - .]" 1
181 1 23 GLN HB2 1 24 THR H 3.030 . 4.178 3.764 2.806 3.996 . 0 0 "[ . 1 .]" 1
182 1 24 THR H 1 24 THR HA 2.385 . 3.096 2.843 2.823 2.862 . 0 0 "[ . 1 .]" 1
183 1 24 THR H 1 24 THR HB 2.944 . 4.027 2.602 2.557 2.632 . 0 0 "[ . 1 .]" 1
184 1 24 THR H 1 24 THR MG 3.404 . 4.853 3.772 3.762 3.789 . 0 0 "[ . 1 .]" 1
185 1 24 THR H 1 25 VAL H 2.840 . 3.848 2.659 2.604 2.719 . 0 0 "[ . 1 .]" 1
186 1 24 THR HA 1 24 THR MG 2.234 . 2.858 2.376 2.356 2.398 . 0 0 "[ . 1 .]" 1
187 1 24 THR HA 1 27 ARG HB2 2.900 . 3.951 3.508 3.131 3.757 . 0 0 "[ . 1 .]" 1
188 1 24 THR HA 1 27 ARG HB3 3.863 . 5.729 2.376 2.106 2.514 . 0 0 "[ . 1 .]" 1
189 1 24 THR HA 1 27 ARG HD2 2.922 . 3.989 4.007 3.874 4.099 0.110 14 0 "[ . 1 .]" 1
190 1 24 THR HB 1 25 VAL H 2.851 . 3.867 2.589 2.495 2.763 . 0 0 "[ . 1 .]" 1
191 1 24 THR HB 1 25 VAL MG1 3.052 . 4.217 3.215 3.108 3.448 . 0 0 "[ . 1 .]" 1
192 1 24 THR MG 1 25 VAL H 2.813 . 3.802 3.548 3.508 3.594 . 0 0 "[ . 1 .]" 1
193 1 24 THR MG 1 27 ARG HD2 3.254 . 4.578 3.899 3.601 3.986 . 0 0 "[ . 1 .]" 1
194 1 25 VAL H 1 25 VAL HA 2.624 . 3.485 2.817 2.808 2.830 . 0 0 "[ . 1 .]" 1
195 1 25 VAL H 1 25 VAL HB 2.730 . 3.662 3.658 3.647 3.671 0.009 6 0 "[ . 1 .]" 1
196 1 25 VAL H 1 25 VAL MG1 2.602 . 3.448 2.253 2.222 2.287 . 0 0 "[ . 1 .]" 1
197 1 25 VAL H 1 25 VAL MG2 2.429 . 3.166 2.091 2.038 2.127 . 0 0 "[ . 1 .]" 1
198 1 25 VAL H 1 26 GLU H 2.917 . 3.980 2.750 2.713 2.775 . 0 0 "[ . 1 .]" 1
199 1 25 VAL HA 1 25 VAL HB 2.398 . 3.117 2.464 2.458 2.472 . 0 0 "[ . 1 .]" 1
200 1 25 VAL HA 1 25 VAL MG1 2.613 . 3.467 2.309 2.286 2.324 . 0 0 "[ . 1 .]" 1
201 1 25 VAL HA 1 25 VAL MG2 2.800 . 3.780 3.214 3.212 3.217 . 0 0 "[ . 1 .]" 1
202 1 25 VAL HB 1 25 VAL MG2 1.968 . 2.452 2.126 2.122 2.130 . 0 0 "[ . 1 .]" 1
203 1 25 VAL HB 1 26 GLU H 3.126 . 4.348 3.752 3.722 3.782 . 0 0 "[ . 1 .]" 1
204 1 25 VAL MG1 1 26 GLU H 3.227 . 4.528 4.005 3.983 4.023 . 0 0 "[ . 1 .]" 1
205 1 25 VAL MG2 1 26 GLU H 3.200 . 4.480 2.087 2.039 2.120 . 0 0 "[ . 1 .]" 1
206 1 26 GLU H 1 26 GLU HA 2.788 . 3.760 2.852 2.844 2.856 . 0 0 "[ . 1 .]" 1
207 1 26 GLU H 1 26 GLU HB2 2.660 . 3.545 3.616 3.602 3.628 0.083 7 0 "[ . 1 .]" 1
208 1 26 GLU H 1 26 GLU HG3 2.968 . 4.069 3.008 2.315 3.191 . 0 0 "[ . 1 .]" 1
209 1 26 GLU H 1 27 ARG H 2.919 . 3.984 2.510 2.489 2.535 . 0 0 "[ . 1 .]" 1
210 1 26 GLU HA 1 26 GLU HB2 2.571 . 3.397 2.450 2.419 2.468 . 0 0 "[ . 1 .]" 1
211 1 26 GLU HA 1 26 GLU HG3 2.728 . 3.659 3.699 3.623 3.750 0.091 10 0 "[ . 1 .]" 1
212 1 26 GLU HA 1 27 ARG H 2.793 . 3.768 3.504 3.472 3.522 . 0 0 "[ . 1 .]" 1
213 1 26 GLU HA 1 28 VAL H 3.254 . 4.578 4.584 4.533 4.635 0.057 14 0 "[ . 1 .]" 1
214 1 26 GLU HA 1 29 THR HB 2.188 . 2.786 2.434 2.303 2.521 . 0 0 "[ . 1 .]" 1
215 1 26 GLU HA 1 29 THR MG 3.228 . 4.531 3.713 3.558 3.783 . 0 0 "[ . 1 .]" 1
216 1 26 GLU HB2 1 26 GLU HG3 2.525 . 3.322 2.525 2.435 2.914 . 0 0 "[ . 1 .]" 1
217 1 26 GLU HB2 1 27 ARG H 2.891 . 3.936 3.845 3.779 3.933 . 0 0 "[ . 1 .]" 1
218 1 26 GLU HB2 1 29 THR HB 3.192 . 4.466 4.292 4.160 4.483 0.017 14 0 "[ . 1 .]" 1
219 1 26 GLU HB3 1 27 ARG H 3.160 . 4.408 4.025 3.986 4.087 . 0 0 "[ . 1 .]" 1
220 1 26 GLU HG3 1 27 ARG H 2.434 . 3.175 2.267 2.071 2.461 . 0 0 "[ . 1 .]" 1
221 1 26 GLU HG3 1 27 ARG HA 3.188 . 4.458 3.452 3.327 3.971 . 0 0 "[ . 1 .]" 1
222 1 26 GLU HG3 1 27 ARG HB2 2.960 . 4.055 3.277 3.131 3.493 . 0 0 "[ . 1 .]" 1
223 1 26 GLU HG3 1 27 ARG HB3 3.010 . 4.143 4.116 3.907 4.211 0.068 10 0 "[ . 1 .]" 1
224 1 27 ARG H 1 27 ARG HA 2.718 . 3.641 2.830 2.820 2.844 . 0 0 "[ . 1 .]" 1
225 1 27 ARG H 1 27 ARG HB2 2.354 . 3.047 2.631 2.542 2.727 . 0 0 "[ . 1 .]" 1
226 1 27 ARG H 1 27 ARG HB3 2.624 . 3.485 2.420 2.343 2.489 . 0 0 "[ . 1 .]" 1
227 1 27 ARG H 1 27 ARG HD2 3.245 . 4.561 4.445 4.300 4.587 0.026 8 0 "[ . 1 .]" 1
228 1 27 ARG H 1 28 VAL H 2.172 . 2.762 2.697 2.646 2.737 . 0 0 "[ . 1 .]" 1
229 1 27 ARG HA 1 27 ARG HB2 2.876 . 3.910 2.409 2.367 2.442 . 0 0 "[ . 1 .]" 1
230 1 27 ARG HA 1 27 ARG HD2 2.840 . 3.848 3.945 3.875 4.074 0.226 8 0 "[ . 1 .]" 1
231 1 27 ARG HA 1 27 ARG HG3 3.010 . 4.143 3.462 3.268 3.580 . 0 0 "[ . 1 .]" 1
232 1 27 ARG HA 1 30 LEU H 2.501 . 3.283 3.244 3.093 3.331 0.048 14 0 "[ . 1 .]" 1
233 1 27 ARG HB2 1 27 ARG HD2 2.811 . 3.799 3.632 3.567 3.722 . 0 0 "[ . 1 .]" 1
234 1 27 ARG HB3 1 27 ARG HD2 2.583 . 3.417 2.421 2.311 2.574 . 0 0 "[ . 1 .]" 1
235 1 27 ARG HD2 1 27 ARG HG3 2.525 . 3.322 3.004 2.998 3.012 . 0 0 "[ . 1 .]" 1
236 1 27 ARG HD2 1 28 VAL HA 3.262 . 4.592 2.964 2.719 3.360 . 0 0 "[ . 1 .]" 1
237 1 27 ARG HD2 1 31 GLN HG2 3.409 . 4.862 3.613 3.048 3.901 . 0 0 "[ . 1 .]" 1
238 1 27 ARG HD2 1 31 GLN HG3 2.715 . 3.636 3.520 3.233 3.696 0.060 8 0 "[ . 1 .]" 1
239 1 28 VAL H 1 28 VAL HB 2.736 . 3.672 3.664 3.657 3.675 0.003 2 0 "[ . 1 .]" 1
240 1 28 VAL H 1 28 VAL MG1 2.820 . 3.814 2.135 2.091 2.170 . 0 0 "[ . 1 .]" 1
241 1 28 VAL H 1 28 VAL MG2 2.968 . 4.069 2.218 2.155 2.248 . 0 0 "[ . 1 .]" 1
242 1 28 VAL H 1 29 THR H 3.075 . 4.257 2.610 2.588 2.649 . 0 0 "[ . 1 .]" 1
243 1 28 VAL HA 1 28 VAL HB 2.526 . 3.324 2.437 2.430 2.444 . 0 0 "[ . 1 .]" 1
244 1 28 VAL HA 1 29 THR H 2.859 . 3.881 3.513 3.506 3.527 . 0 0 "[ . 1 .]" 1
245 1 28 VAL HA 1 31 GLN H 3.160 . 4.408 3.264 3.054 3.396 . 0 0 "[ . 1 .]" 1
246 1 28 VAL HA 1 31 GLN HB2 3.080 . 4.266 2.542 2.317 2.661 . 0 0 "[ . 1 .]" 1
247 1 28 VAL HA 1 31 GLN HB3 3.031 . 4.179 4.148 3.905 4.239 0.060 12 0 "[ . 1 .]" 1
248 1 28 VAL HA 1 31 GLN HG2 3.436 . 4.911 3.258 2.683 3.550 . 0 0 "[ . 1 .]" 1
249 1 28 VAL HA 1 31 GLN HG3 3.310 . 4.680 3.200 2.737 3.487 . 0 0 "[ . 1 .]" 1
250 1 28 VAL HB 1 28 VAL MG2 2.015 . 2.522 2.128 2.124 2.131 . 0 0 "[ . 1 .]" 1
251 1 28 VAL HB 1 29 THR H 3.184 . 4.451 3.749 3.714 3.775 . 0 0 "[ . 1 .]" 1
252 1 28 VAL MG1 1 29 THR H 2.983 . 4.096 3.827 3.810 3.843 . 0 0 "[ . 1 .]" 1
253 1 28 VAL MG2 1 29 THR H 2.251 . 2.885 1.960 1.900 1.993 . 0 0 "[ . 1 .]" 1
254 1 28 VAL MG2 1 29 THR HA 3.152 . 4.394 3.201 3.145 3.243 . 0 0 "[ . 1 .]" 1
255 1 28 VAL MG2 1 29 THR HB 2.889 . 3.932 3.755 3.720 3.784 . 0 0 "[ . 1 .]" 1
256 1 29 THR H 1 29 THR HA 2.919 . 3.984 2.809 2.787 2.821 . 0 0 "[ . 1 .]" 1
257 1 29 THR H 1 29 THR HB 3.109 . 4.317 2.444 2.418 2.493 . 0 0 "[ . 1 .]" 1
258 1 29 THR H 1 29 THR MG 3.112 . 4.323 3.732 3.723 3.744 . 0 0 "[ . 1 .]" 1
259 1 29 THR HA 1 29 THR MG 2.424 . 3.158 2.446 2.388 2.494 . 0 0 "[ . 1 .]" 1
260 1 29 THR HA 1 30 LEU H 3.085 . 4.275 3.543 3.529 3.558 . 0 0 "[ . 1 .]" 1
261 1 29 THR HA 1 32 ASN H 3.209 . 4.496 3.238 3.078 3.408 . 0 0 "[ . 1 .]" 1
262 1 29 THR HA 1 32 ASN HB2 3.091 . 4.285 2.854 2.624 3.169 . 0 0 "[ . 1 .]" 1
263 1 29 THR HA 1 32 ASN HB3 2.952 . 4.041 2.572 2.187 2.959 . 0 0 "[ . 1 .]" 1
264 1 29 THR HB 1 29 THR MG 1.935 . 2.403 2.127 2.124 2.132 . 0 0 "[ . 1 .]" 1
265 1 29 THR HB 1 30 LEU H 2.599 . 3.444 2.686 2.625 2.781 . 0 0 "[ . 1 .]" 1
266 1 29 THR MG 1 30 LEU H 2.855 . 3.874 3.421 3.279 3.528 . 0 0 "[ . 1 .]" 1
267 1 29 THR MG 1 32 ASN HB2 3.463 . 4.962 4.354 4.264 4.462 . 0 0 "[ . 1 .]" 1
268 1 29 THR MG 1 32 ASN HB3 3.674 . 5.361 3.357 3.112 3.585 . 0 0 "[ . 1 .]" 1
269 1 30 LEU H 1 30 LEU HA 2.720 . 3.645 2.817 2.803 2.836 . 0 0 "[ . 1 .]" 1
270 1 30 LEU H 1 30 LEU HB2 2.792 . 3.766 2.582 2.532 2.613 . 0 0 "[ . 1 .]" 1
271 1 30 LEU H 1 30 LEU HB3 2.949 . 4.036 2.323 2.274 2.393 . 0 0 "[ . 1 .]" 1
272 1 30 LEU H 1 30 LEU MD1 2.951 . 4.040 3.898 3.869 3.922 . 0 0 "[ . 1 .]" 1
273 1 30 LEU H 1 30 LEU HG 3.321 . 4.699 4.553 4.537 4.584 . 0 0 "[ . 1 .]" 1
274 1 30 LEU H 1 31 GLN H 2.409 . 3.135 2.639 2.586 2.664 . 0 0 "[ . 1 .]" 1
275 1 30 LEU H 1 33 GLN QG 3.326 . 4.709 4.523 4.165 4.656 . 0 0 "[ . 1 .]" 1
276 1 30 LEU HA 1 30 LEU MD2 2.346 . 3.034 2.194 2.140 2.260 . 0 0 "[ . 1 .]" 1
277 1 30 LEU HA 1 30 LEU HG 3.037 . 4.190 3.776 3.735 3.814 . 0 0 "[ . 1 .]" 1
278 1 30 LEU HA 1 31 GLN H 2.914 . 3.976 3.548 3.531 3.559 . 0 0 "[ . 1 .]" 1
279 1 30 LEU HA 1 33 GLN H 2.718 . 3.641 3.223 3.094 3.343 . 0 0 "[ . 1 .]" 1
280 1 30 LEU HA 1 33 GLN QG 2.705 . 3.620 2.799 2.381 3.040 . 0 0 "[ . 1 .]" 1
281 1 30 LEU HB2 1 30 LEU MD1 2.773 . 3.734 3.131 3.122 3.139 . 0 0 "[ . 1 .]" 1
282 1 30 LEU HB2 1 30 LEU MD2 2.672 . 3.565 2.549 2.526 2.586 . 0 0 "[ . 1 .]" 1
283 1 30 LEU HB2 1 31 GLN H 4.704 . 7.470 3.895 3.830 3.966 . 0 0 "[ . 1 .]" 1
284 1 30 LEU HB3 1 30 LEU MD1 1.801 . 2.206 2.100 2.061 2.168 . 0 0 "[ . 1 .]" 1
285 1 30 LEU HB3 1 30 LEU HG 2.626 . 3.488 2.552 2.537 2.574 . 0 0 "[ . 1 .]" 1
286 1 30 LEU MD1 1 31 GLN H 2.849 . 3.864 2.758 2.586 2.829 . 0 0 "[ . 1 .]" 1
287 1 30 LEU MD1 1 33 GLN H 8.307 . 16.933 4.773 4.673 4.881 . 0 0 "[ . 1 .]" 1
288 1 30 LEU MD2 1 30 LEU HG 2.445 . 3.192 2.127 2.124 2.130 . 0 0 "[ . 1 .]" 1
289 1 30 LEU MD2 1 31 GLN HA 3.138 . 4.369 4.142 4.122 4.159 . 0 0 "[ . 1 .]" 1
290 1 30 LEU MD2 1 33 GLN H 3.259 . 4.587 4.060 3.874 4.239 . 0 0 "[ . 1 .]" 1
291 1 30 LEU MD2 1 33 GLN HB2 2.395 . 3.112 2.607 2.353 2.784 . 0 0 "[ . 1 .]" 1
292 1 30 LEU HG 1 31 GLN H 3.310 . 4.679 4.729 4.702 4.771 0.092 7 0 "[ . 1 .]" 1
293 1 31 GLN H 1 31 GLN HB2 2.544 . 3.353 2.487 2.456 2.541 . 0 0 "[ . 1 .]" 1
294 1 31 GLN H 1 31 GLN HB3 2.800 . 3.780 3.593 3.578 3.612 . 0 0 "[ . 1 .]" 1
295 1 31 GLN H 1 31 GLN HG2 2.810 . 3.797 2.199 2.164 2.254 . 0 0 "[ . 1 .]" 1
296 1 31 GLN H 1 32 ASN H 2.925 . 3.995 2.648 2.595 2.738 . 0 0 "[ . 1 .]" 1
297 1 31 GLN H 1 33 GLN H 3.520 . 5.069 4.173 4.100 4.277 . 0 0 "[ . 1 .]" 1
298 1 31 GLN HA 1 31 GLN HB2 2.599 . 3.444 3.019 3.013 3.026 . 0 0 "[ . 1 .]" 1
299 1 31 GLN HA 1 31 GLN HB3 1.938 . 2.407 2.479 2.468 2.494 0.087 3 0 "[ . 1 .]" 1
300 1 31 GLN HA 1 31 GLN HG2 2.272 . 2.917 2.953 2.892 3.009 0.092 13 0 "[ . 1 .]" 1
301 1 31 GLN HA 1 31 GLN HG3 2.961 . 4.057 3.744 3.711 3.782 . 0 0 "[ . 1 .]" 1
302 1 31 GLN HA 1 32 ASN HA 3.644 . 5.304 4.801 4.756 4.831 . 0 0 "[ . 1 .]" 1
303 1 31 GLN HA 1 34 LEU H 3.603 . 5.226 3.112 2.995 3.220 . 0 0 "[ . 1 .]" 1
304 1 31 GLN HA 1 34 LEU HB2 2.654 . 3.535 2.897 2.782 3.051 . 0 0 "[ . 1 .]" 1
305 1 31 GLN HA 1 34 LEU HB3 1.877 . 2.318 2.299 2.213 2.369 0.051 12 0 "[ . 1 .]" 1
306 1 31 GLN HA 1 34 LEU MD1 3.148 . 4.387 3.367 3.281 3.488 . 0 0 "[ . 1 .]" 1
307 1 31 GLN HA 1 34 LEU MD2 3.480 . 4.994 3.700 3.614 3.772 . 0 0 "[ . 1 .]" 1
308 1 31 GLN HA 1 34 LEU HG 3.558 . 5.140 5.039 4.964 5.128 . 0 0 "[ . 1 .]" 1
309 1 31 GLN HB2 1 32 ASN H 2.831 . 3.833 2.767 2.651 2.926 . 0 0 "[ . 1 .]" 1
310 1 31 GLN HB3 1 32 ASN H 3.116 . 4.329 3.745 3.646 3.848 . 0 0 "[ . 1 .]" 1
311 1 31 GLN HG2 1 32 ASN H 3.085 . 4.275 4.341 4.301 4.402 0.127 4 0 "[ . 1 .]" 1
312 1 32 ASN H 1 32 ASN HB2 2.795 . 3.772 2.489 2.340 2.614 . 0 0 "[ . 1 .]" 1
313 1 32 ASN H 1 32 ASN HB3 2.906 . 3.961 2.575 2.485 2.683 . 0 0 "[ . 1 .]" 1
314 1 32 ASN H 1 33 GLN H 2.824 . 3.821 2.646 2.544 2.686 . 0 0 "[ . 1 .]" 1
315 1 32 ASN H 1 34 LEU H 3.365 . 4.780 3.891 3.793 3.943 . 0 0 "[ . 1 .]" 1
316 1 32 ASN HA 1 32 ASN HB2 2.467 . 3.228 2.501 2.454 2.561 . 0 0 "[ . 1 .]" 1
317 1 32 ASN HA 1 32 ASN HB3 2.866 . 3.893 3.030 3.022 3.036 . 0 0 "[ . 1 .]" 1
318 1 32 ASN HA 1 33 GLN H 2.999 . 4.123 3.543 3.532 3.554 . 0 0 "[ . 1 .]" 1
319 1 32 ASN HA 1 35 GLN H 3.188 . 4.458 3.247 2.985 3.429 . 0 0 "[ . 1 .]" 1
320 1 32 ASN HA 1 35 GLN HB2 2.787 . 3.758 3.060 2.693 3.369 . 0 0 "[ . 1 .]" 1
321 1 32 ASN HA 1 35 GLN HB3 2.874 . 3.906 2.516 2.210 2.664 . 0 0 "[ . 1 .]" 1
322 1 32 ASN HA 1 35 GLN HG2 3.325 . 4.707 4.686 3.996 4.813 0.106 3 0 "[ . 1 .]" 1
323 1 32 ASN HB2 1 33 GLN H 2.795 . 3.772 3.781 3.685 3.886 0.114 11 0 "[ . 1 .]" 1
324 1 32 ASN HB3 1 33 GLN H 3.222 . 4.520 2.505 2.423 2.601 . 0 0 "[ . 1 .]" 1
325 1 33 GLN H 1 33 GLN HA 2.746 . 3.688 2.826 2.804 2.840 . 0 0 "[ . 1 .]" 1
326 1 33 GLN H 1 33 GLN HB3 2.725 . 3.653 3.597 3.579 3.616 . 0 0 "[ . 1 .]" 1
327 1 33 GLN H 1 33 GLN QG 2.600 . 3.445 2.135 1.967 2.283 . 0 0 "[ . 1 .]" 1
328 1 33 GLN H 1 34 LEU H 3.002 . 4.128 2.598 2.543 2.679 . 0 0 "[ . 1 .]" 1
329 1 33 GLN HA 1 34 LEU H 3.627 . 5.271 3.521 3.512 3.529 . 0 0 "[ . 1 .]" 1
330 1 33 GLN HB3 1 34 LEU H 2.889 . 3.932 3.689 3.533 3.807 . 0 0 "[ . 1 .]" 1
331 1 33 GLN QG 1 34 LEU H 3.048 . 4.209 3.956 3.807 4.034 . 0 0 "[ . 1 .]" 1
332 1 34 LEU H 1 34 LEU HB2 2.740 . 3.678 2.416 2.365 2.458 . 0 0 "[ . 1 .]" 1
333 1 34 LEU H 1 34 LEU HB3 2.953 . 4.043 2.604 2.550 2.647 . 0 0 "[ . 1 .]" 1
334 1 34 LEU H 1 34 LEU MD2 3.436 . 4.912 4.225 4.182 4.258 . 0 0 "[ . 1 .]" 1
335 1 34 LEU H 1 34 LEU HG 3.200 . 4.480 4.418 4.382 4.451 . 0 0 "[ . 1 .]" 1
336 1 34 LEU H 1 35 GLN H 3.471 . 4.977 2.583 2.551 2.626 . 0 0 "[ . 1 .]" 1
337 1 34 LEU HA 1 34 LEU HB2 2.707 . 3.623 2.515 2.492 2.534 . 0 0 "[ . 1 .]" 1
338 1 34 LEU HA 1 34 LEU MD1 2.891 . 3.936 3.554 3.532 3.574 . 0 0 "[ . 1 .]" 1
339 1 34 LEU HA 1 34 LEU HG 2.241 . 2.869 2.406 2.353 2.442 . 0 0 "[ . 1 .]" 1
340 1 34 LEU HA 1 37 PHE H 3.130 . 4.355 2.979 2.902 3.069 . 0 0 "[ . 1 .]" 1
341 1 34 LEU HB2 1 34 LEU MD1 1.948 . 2.422 2.165 2.139 2.185 . 0 0 "[ . 1 .]" 1
342 1 34 LEU HB2 1 34 LEU HG 2.506 . 3.291 2.647 2.633 2.662 . 0 0 "[ . 1 .]" 1
343 1 34 LEU HB2 1 35 GLN H 2.857 . 3.877 3.872 3.843 3.898 0.021 2 0 "[ . 1 .]" 1
344 1 34 LEU HB3 1 34 LEU MD1 2.569 . 3.394 2.618 2.595 2.639 . 0 0 "[ . 1 .]" 1
345 1 34 LEU HB3 1 34 LEU HG 2.459 . 3.215 2.985 2.982 2.993 . 0 0 "[ . 1 .]" 1
346 1 34 LEU HB3 1 35 GLN H 2.697 . 3.606 2.751 2.688 2.789 . 0 0 "[ . 1 .]" 1
347 1 34 LEU MD1 1 37 PHE HB2 4.311 . 6.634 5.547 5.438 5.654 . 0 0 "[ . 1 .]" 1
348 1 34 LEU MD1 1 37 PHE HB3 3.638 . 5.292 4.604 4.521 4.666 . 0 0 "[ . 1 .]" 1
349 1 34 LEU MD1 1 37 PHE HD2 3.236 . 4.545 3.573 3.490 3.628 . 0 0 "[ . 1 .]" 1
350 1 34 LEU MD1 1 37 PHE HE2 3.335 . 4.725 3.604 3.355 3.682 . 0 0 "[ . 1 .]" 1
351 1 34 LEU MD2 1 35 GLN H 3.042 . 4.198 3.521 3.401 3.590 . 0 0 "[ . 1 .]" 1
352 1 34 LEU MD2 1 37 PHE H 3.374 . 4.797 4.507 4.438 4.543 . 0 0 "[ . 1 .]" 1
353 1 34 LEU MD2 1 37 PHE HD2 2.930 . 4.003 2.541 2.458 2.602 . 0 0 "[ . 1 .]" 1
354 1 34 LEU MD2 1 37 PHE HE2 2.949 . 4.036 3.242 3.153 3.311 . 0 0 "[ . 1 .]" 1
355 1 34 LEU HG 1 35 GLN H 3.373 . 4.795 4.758 4.680 4.807 0.012 3 0 "[ . 1 .]" 1
356 1 34 LEU HG 1 37 PHE H 3.355 . 4.762 4.844 4.808 4.874 0.112 12 0 "[ . 1 .]" 1
357 1 34 LEU HG 1 37 PHE HB3 2.467 . 3.228 3.193 3.094 3.259 0.031 12 0 "[ . 1 .]" 1
358 1 34 LEU HG 1 37 PHE HD2 2.645 . 3.519 1.897 1.804 1.966 . 0 0 "[ . 1 .]" 1
359 1 34 LEU HG 1 37 PHE HE2 3.226 . 4.527 3.142 2.982 3.250 . 0 0 "[ . 1 .]" 1
360 1 35 GLN H 1 35 GLN HA 2.991 . 4.109 2.796 2.788 2.808 . 0 0 "[ . 1 .]" 1
361 1 35 GLN H 1 35 GLN HB2 2.609 . 3.460 2.592 2.385 2.756 . 0 0 "[ . 1 .]" 1
362 1 35 GLN H 1 35 GLN HB3 2.577 . 3.407 2.403 2.301 2.553 . 0 0 "[ . 1 .]" 1
363 1 35 GLN H 1 35 GLN HG2 3.057 . 4.225 4.358 4.269 4.556 0.331 11 0 "[ . 1 .]" 1
364 1 35 GLN H 1 36 GLN H 2.665 . 3.553 2.709 2.637 2.771 . 0 0 "[ . 1 .]" 1
365 1 35 GLN HA 1 35 GLN HB2 2.117 . 2.677 2.413 2.354 2.492 . 0 0 "[ . 1 .]" 1
366 1 35 GLN HA 1 35 GLN HB3 2.467 . 3.228 3.021 3.011 3.025 . 0 0 "[ . 1 .]" 1
367 1 35 GLN HA 1 35 GLN HG2 2.713 . 3.633 3.231 2.894 3.856 0.223 11 0 "[ . 1 .]" 1
368 1 35 GLN HA 1 38 LEU HB3 3.529 . 5.086 3.911 3.674 4.117 . 0 0 "[ . 1 .]" 1
369 1 35 GLN HB2 1 35 GLN HG2 2.613 . 3.467 2.956 2.451 3.001 . 0 0 "[ . 1 .]" 1
370 1 35 GLN HB2 1 36 GLN H 2.978 . 4.087 3.841 3.714 3.952 . 0 0 "[ . 1 .]" 1
371 1 35 GLN HB3 1 35 GLN HG2 2.221 . 2.837 2.427 2.386 2.490 . 0 0 "[ . 1 .]" 1
372 1 35 GLN HG2 1 36 GLN H 2.930 . 4.003 3.478 3.170 4.351 0.348 11 0 "[ . 1 .]" 1
373 1 36 GLN H 1 36 GLN HB2 2.991 . 4.109 2.426 2.213 2.620 . 0 0 "[ . 1 .]" 1
374 1 36 GLN H 1 36 GLN HB3 2.765 . 3.721 3.274 2.520 3.594 . 0 0 "[ . 1 .]" 1
375 1 36 GLN H 1 36 GLN HG3 2.983 . 4.096 3.002 2.033 4.444 0.348 14 0 "[ . 1 .]" 1
376 1 36 GLN HA 1 36 GLN HB2 2.671 . 3.562 2.865 2.483 3.027 . 0 0 "[ . 1 .]" 1
377 1 36 GLN HA 1 36 GLN HB3 2.084 . 2.627 2.658 2.412 3.023 0.396 8 0 "[ . 1 .]" 1
378 1 36 GLN HA 1 36 GLN HG3 2.357 . 3.051 2.942 2.439 3.783 0.732 13 2 "[ . 1 +-.]" 1
379 1 36 GLN HA 1 37 PHE H 2.935 . 4.011 3.498 3.475 3.517 . 0 0 "[ . 1 .]" 1
380 1 36 GLN HB2 1 36 GLN HG3 2.303 . 2.966 2.449 2.305 2.543 . 0 0 "[ . 1 .]" 1
381 1 36 GLN HB2 1 37 PHE H 2.615 . 3.470 3.078 2.678 3.855 0.385 8 0 "[ . 1 .]" 1
382 1 36 GLN HB3 1 36 GLN HG3 2.156 . 2.737 2.930 2.414 3.009 0.272 1 0 "[ . 1 .]" 1
383 1 36 GLN HB3 1 37 PHE H 2.859 . 3.881 3.392 2.589 3.878 . 0 0 "[ . 1 .]" 1
384 1 37 PHE H 1 37 PHE HA 2.846 . 3.858 2.818 2.799 2.833 . 0 0 "[ . 1 .]" 1
385 1 37 PHE H 1 37 PHE HB2 3.016 . 4.153 2.945 2.893 2.987 . 0 0 "[ . 1 .]" 1
386 1 37 PHE H 1 37 PHE HB3 2.765 . 3.721 2.100 2.080 2.119 . 0 0 "[ . 1 .]" 1
387 1 37 PHE H 1 37 PHE HD2 3.137 . 4.367 3.993 3.952 4.075 . 0 0 "[ . 1 .]" 1
388 1 37 PHE H 1 38 LEU H 2.598 . 3.442 2.761 2.715 2.809 . 0 0 "[ . 1 .]" 1
389 1 37 PHE HA 1 37 PHE HB2 2.873 . 3.905 2.278 2.269 2.287 . 0 0 "[ . 1 .]" 1
390 1 37 PHE HA 1 37 PHE HB3 2.688 . 3.591 2.965 2.956 2.973 . 0 0 "[ . 1 .]" 1
391 1 37 PHE HA 1 38 LEU H 2.763 . 3.718 3.582 3.576 3.593 . 0 0 "[ . 1 .]" 1
392 1 37 PHE HA 1 40 ALA MB 2.915 . 3.977 2.551 2.315 2.788 . 0 0 "[ . 1 .]" 1
393 1 37 PHE HB2 1 37 PHE HD2 2.765 . 3.720 3.560 3.532 3.614 . 0 0 "[ . 1 .]" 1
394 1 37 PHE HB2 1 38 LEU H 3.005 . 4.134 4.040 4.008 4.082 . 0 0 "[ . 1 .]" 1
395 1 37 PHE HB3 1 37 PHE HD2 3.246 . 4.563 2.316 2.292 2.377 . 0 0 "[ . 1 .]" 1
396 1 37 PHE HB3 1 38 LEU H 2.330 . 3.008 2.770 2.727 2.831 . 0 0 "[ . 1 .]" 1
397 1 37 PHE HD2 1 38 LEU H 2.838 . 3.845 2.745 2.656 2.784 . 0 0 "[ . 1 .]" 1
398 1 37 PHE HE2 1 38 LEU H 3.279 . 4.623 4.665 4.628 4.717 0.094 2 0 "[ . 1 .]" 1
399 1 38 LEU H 1 38 LEU HA 2.169 . 2.757 2.811 2.806 2.814 0.057 11 0 "[ . 1 .]" 1
400 1 38 LEU H 1 38 LEU HB2 2.679 . 3.576 3.595 3.586 3.608 0.032 7 0 "[ . 1 .]" 1
401 1 38 LEU H 1 38 LEU HB3 2.441 . 3.186 2.458 2.426 2.496 . 0 0 "[ . 1 .]" 1
402 1 38 LEU H 1 38 LEU MD1 3.109 . 4.317 3.825 3.736 3.867 . 0 0 "[ . 1 .]" 1
403 1 38 LEU H 1 38 LEU HG 2.166 . 2.753 2.433 2.329 2.502 . 0 0 "[ . 1 .]" 1
404 1 38 LEU HA 1 38 LEU HB2 2.621 . 3.480 2.381 2.366 2.404 . 0 0 "[ . 1 .]" 1
405 1 38 LEU HA 1 38 LEU HB3 2.773 . 3.734 2.470 2.439 2.485 . 0 0 "[ . 1 .]" 1
406 1 38 LEU HA 1 38 LEU MD1 2.875 . 3.908 3.608 3.582 3.630 . 0 0 "[ . 1 .]" 1
407 1 38 LEU HA 1 38 LEU HG 2.864 . 3.889 3.725 3.708 3.742 . 0 0 "[ . 1 .]" 1
408 1 38 LEU HA 1 41 GLN H 3.048 . 4.209 3.178 3.005 3.284 . 0 0 "[ . 1 .]" 1
409 1 38 LEU HA 1 41 GLN HB2 2.495 . 3.273 2.825 2.616 3.050 . 0 0 "[ . 1 .]" 1
410 1 38 LEU HA 1 41 GLN HB3 3.086 . 4.276 4.243 4.103 4.348 0.072 13 0 "[ . 1 .]" 1
411 1 38 LEU HA 1 41 GLN QG 2.033 . 2.549 2.392 2.057 2.547 . 0 0 "[ . 1 .]" 1
412 1 38 LEU HB2 1 38 LEU MD1 2.386 . 3.097 2.217 2.200 2.234 . 0 0 "[ . 1 .]" 1
413 1 38 LEU HB2 1 39 GLU H 2.953 . 4.043 3.877 3.819 3.938 . 0 0 "[ . 1 .]" 1
414 1 38 LEU HB3 1 38 LEU MD1 2.792 . 3.766 3.138 3.125 3.151 . 0 0 "[ . 1 .]" 1
415 1 38 LEU HB3 1 39 GLU H 2.774 . 3.736 3.881 3.850 3.910 0.174 6 0 "[ . 1 .]" 1
416 1 38 LEU MD1 1 38 LEU HG 2.156 . 2.737 2.127 2.123 2.129 . 0 0 "[ . 1 .]" 1
417 1 38 LEU MD1 1 39 GLU H 2.195 . 2.797 2.597 2.495 2.696 . 0 0 "[ . 1 .]" 1
418 1 38 LEU HG 1 39 GLU H 2.132 . 2.700 2.131 2.036 2.224 . 0 0 "[ . 1 .]" 1
419 1 39 GLU H 1 39 GLU HA 2.150 . 2.728 2.808 2.786 2.828 0.100 12 0 "[ . 1 .]" 1
420 1 39 GLU H 1 39 GLU HB2 2.300 . 2.961 2.381 2.217 2.461 . 0 0 "[ . 1 .]" 1
421 1 39 GLU H 1 39 GLU QG 2.204 . 2.811 2.486 2.305 2.793 . 0 0 "[ . 1 .]" 1
422 1 39 GLU H 1 40 ALA H 2.570 . 3.396 2.675 2.591 2.800 . 0 0 "[ . 1 .]" 1
423 1 39 GLU HA 1 40 ALA H 2.790 . 3.763 3.526 3.513 3.558 . 0 0 "[ . 1 .]" 1
424 1 39 GLU HA 1 42 LYS H 2.812 . 3.800 3.145 2.896 3.357 . 0 0 "[ . 1 .]" 1
425 1 39 GLU HA 1 42 LYS HG2 2.478 . 3.246 2.518 1.932 3.112 . 0 0 "[ . 1 .]" 1
426 1 39 GLU HA 1 42 LYS HG3 2.158 . 2.740 2.674 2.366 2.829 0.089 13 0 "[ . 1 .]" 1
427 1 39 GLU HB2 1 40 ALA H 2.618 . 3.474 2.781 2.649 2.892 . 0 0 "[ . 1 .]" 1
428 1 39 GLU HB2 1 40 ALA HA 3.384 . 4.816 4.583 4.399 4.760 . 0 0 "[ . 1 .]" 1
429 1 40 ALA H 1 40 ALA HA 2.538 . 3.343 2.810 2.800 2.830 . 0 0 "[ . 1 .]" 1
430 1 40 ALA H 1 40 ALA MB 2.436 . 3.178 2.243 2.236 2.249 . 0 0 "[ . 1 .]" 1
431 1 40 ALA H 1 41 GLN H 2.829 . 3.830 2.676 2.611 2.727 . 0 0 "[ . 1 .]" 1
432 1 40 ALA HA 1 43 SER HB2 2.360 . 3.056 2.737 2.414 3.031 . 0 0 "[ . 1 .]" 1
433 1 40 ALA MB 1 41 GLN H 3.007 . 4.138 2.557 2.400 2.665 . 0 0 "[ . 1 .]" 1
434 1 40 ALA MB 1 41 GLN HA 3.148 . 4.387 3.902 3.819 3.950 . 0 0 "[ . 1 .]" 1
435 1 40 ALA MB 1 41 GLN QG 2.827 . 3.826 3.338 3.212 3.426 . 0 0 "[ . 1 .]" 1
436 1 41 GLN H 1 41 GLN HA 2.701 . 3.613 2.811 2.790 2.837 . 0 0 "[ . 1 .]" 1
437 1 41 GLN H 1 41 GLN HB2 3.141 . 4.374 2.577 2.513 2.664 . 0 0 "[ . 1 .]" 1
438 1 41 GLN H 1 41 GLN HB3 2.883 . 3.922 3.607 3.592 3.622 . 0 0 "[ . 1 .]" 1
439 1 41 GLN H 1 41 GLN QG 3.240 . 4.496 2.103 2.022 2.203 . 0 0 "[ . 1 .]" 1
440 1 41 GLN H 1 42 LYS H 3.427 . 4.895 2.661 2.570 2.740 . 0 0 "[ . 1 .]" 1
441 1 41 GLN HA 1 41 GLN HB2 2.621 . 3.480 3.024 3.021 3.027 . 0 0 "[ . 1 .]" 1
442 1 41 GLN HA 1 41 GLN HB3 2.224 . 2.842 2.452 2.421 2.481 . 0 0 "[ . 1 .]" 1
443 1 41 GLN HA 1 41 GLN QG 2.632 . 3.498 2.607 2.414 3.078 . 0 0 "[ . 1 .]" 1
444 1 41 GLN HA 1 42 LYS H 2.770 . 3.729 3.522 3.466 3.547 . 0 0 "[ . 1 .]" 1
445 1 41 GLN HA 1 44 GLU H 2.734 . 3.669 3.439 3.111 3.746 0.077 13 0 "[ . 1 .]" 1
446 1 41 GLN HB2 1 42 LYS H 2.971 . 4.074 2.591 2.455 2.744 . 0 0 "[ . 1 .]" 1
447 1 41 GLN HB3 1 42 LYS H 2.803 . 3.785 3.698 3.572 3.788 0.003 7 0 "[ . 1 .]" 1
448 1 41 GLN QG 1 42 LYS H 3.572 . 4.106 3.939 3.894 4.012 . 0 0 "[ . 1 .]" 1
449 1 42 LYS H 1 42 LYS HA 2.600 . 3.445 2.817 2.789 2.850 . 0 0 "[ . 1 .]" 1
450 1 42 LYS H 1 42 LYS HB3 2.473 . 3.237 3.505 2.132 3.635 0.398 6 0 "[ . 1 .]" 1
451 1 42 LYS H 1 42 LYS HD3 3.205 . 4.489 3.600 3.162 5.170 0.681 1 1 "[+ . 1 .]" 1
452 1 42 LYS H 1 42 LYS HG2 2.336 . 3.018 2.229 1.994 3.622 0.604 1 1 "[+ . 1 .]" 1
453 1 42 LYS H 1 42 LYS HG3 2.767 . 3.724 3.527 3.035 3.668 . 0 0 "[ . 1 .]" 1
454 1 42 LYS H 1 43 SER H 2.591 . 3.430 2.709 2.467 2.912 . 0 0 "[ . 1 .]" 1
455 1 42 LYS HA 1 42 LYS HB3 2.299 . 2.959 2.470 2.408 2.694 . 0 0 "[ . 1 .]" 1
456 1 42 LYS HA 1 42 LYS HD3 2.621 . 3.480 2.360 2.032 4.294 0.814 1 1 "[+ . 1 .]" 1
457 1 42 LYS HA 1 42 LYS HE3 3.455 . 4.947 4.845 4.472 5.744 0.797 1 1 "[+ . 1 .]" 1
458 1 42 LYS HA 1 42 LYS HG2 2.576 . 3.405 3.159 2.819 4.207 0.802 1 1 "[+ . 1 .]" 1
459 1 42 LYS HA 1 42 LYS HG3 3.052 . 4.217 3.783 3.541 3.842 . 0 0 "[ . 1 .]" 1
460 1 42 LYS HA 1 43 SER H 2.676 . 3.571 3.532 3.422 3.569 . 0 0 "[ . 1 .]" 1
461 1 42 LYS HA 1 46 LYS H 2.731 . 3.664 3.742 3.702 3.785 0.121 3 0 "[ . 1 .]" 1
462 1 42 LYS HB3 1 43 SER H 2.733 . 3.667 3.518 3.204 3.742 0.075 1 0 "[ . 1 .]" 1
463 1 42 LYS HD3 1 42 LYS HG2 1.938 . 2.408 2.411 2.313 2.456 0.048 4 0 "[ . 1 .]" 1
464 1 42 LYS HD3 1 42 LYS HG3 2.564 . 3.386 3.012 2.989 3.019 . 0 0 "[ . 1 .]" 1
465 1 42 LYS HE3 1 42 LYS HG2 2.445 . 3.192 3.226 2.543 3.808 0.616 13 4 "[* .* -1 + .]" 1
466 1 42 LYS HE3 1 42 LYS HG3 2.341 . 3.026 2.909 2.413 3.736 0.710 4 5 "[- +.* *1 * .]" 1
467 1 42 LYS HG2 1 43 SER H 3.141 . 4.374 4.121 3.987 4.335 . 0 0 "[ . 1 .]" 1
468 1 42 LYS HG3 1 43 SER H 3.337 . 4.729 4.529 2.519 4.800 0.071 11 0 "[ . 1 .]" 1
469 1 43 SER H 1 43 SER HA 2.754 . 3.702 2.796 2.731 2.846 . 0 0 "[ . 1 .]" 1
470 1 43 SER H 1 43 SER HB2 2.666 . 3.555 2.560 2.373 2.638 . 0 0 "[ . 1 .]" 1
471 1 43 SER H 1 44 GLU H 2.319 . 2.991 2.718 2.560 2.886 . 0 0 "[ . 1 .]" 1
472 1 43 SER H 1 46 LYS QD 3.289 . 4.641 4.285 3.926 4.603 . 0 0 "[ . 1 .]" 1
473 1 43 SER HA 1 43 SER HB2 2.338 . 3.021 2.995 2.561 3.031 0.010 5 0 "[ . 1 .]" 1
474 1 43 SER HA 1 44 GLU H 2.807 . 3.792 3.528 3.479 3.573 . 0 0 "[ . 1 .]" 1
475 1 43 SER HA 1 46 LYS HB3 2.890 . 3.934 3.827 2.430 4.034 0.100 10 0 "[ . 1 .]" 1
476 1 43 SER HA 1 46 LYS HG3 3.502 . 5.035 3.590 3.111 5.038 0.003 15 0 "[ . 1 .]" 1
477 1 43 SER HB2 1 44 GLU H 2.726 . 3.655 2.778 2.422 3.901 0.246 9 0 "[ . 1 .]" 1
478 1 43 SER HB2 1 44 GLU HA 4.248 . 6.504 4.420 4.172 5.713 . 0 0 "[ . 1 .]" 1
479 1 43 SER HB2 1 44 GLU HB2 3.674 . 5.361 4.985 4.648 6.248 0.887 9 1 "[ . +1 .]" 1
480 1 43 SER HB2 1 44 GLU HG2 3.223 . 4.522 3.422 3.010 5.092 0.570 9 1 "[ . +1 .]" 1
481 1 44 GLU H 1 44 GLU HA 2.442 . 3.187 2.854 2.801 2.904 . 0 0 "[ . 1 .]" 1
482 1 44 GLU H 1 44 GLU HB2 2.729 . 3.660 2.451 2.399 2.531 . 0 0 "[ . 1 .]" 1
483 1 44 GLU H 1 44 GLU HB3 2.741 . 3.680 3.599 3.585 3.640 . 0 0 "[ . 1 .]" 1
484 1 44 GLU H 1 44 GLU HG2 2.618 . 3.474 2.320 2.083 2.551 . 0 0 "[ . 1 .]" 1
485 1 44 GLU H 1 45 GLY H 2.322 . 2.996 2.525 2.276 2.931 . 0 0 "[ . 1 .]" 1
486 1 44 GLU HA 1 44 GLU HB2 2.659 . 3.543 3.019 3.016 3.023 . 0 0 "[ . 1 .]" 1
487 1 44 GLU HA 1 44 GLU HB3 2.036 . 2.554 2.485 2.451 2.513 . 0 0 "[ . 1 .]" 1
488 1 44 GLU HA 1 44 GLU HG2 2.263 . 2.903 2.982 2.930 3.052 0.149 5 0 "[ . 1 .]" 1
489 1 44 GLU HA 1 45 GLY H 2.661 . 3.546 3.522 3.448 3.566 0.020 15 0 "[ . 1 .]" 1
490 1 44 GLU HA 1 47 SER H 3.119 . 4.335 3.702 3.400 3.891 . 0 0 "[ . 1 .]" 1
491 1 44 GLU HA 1 47 SER HB3 2.800 . 3.780 3.210 2.772 3.650 . 0 0 "[ . 1 .]" 1
492 1 44 GLU HB2 1 44 GLU HG2 2.533 . 3.335 2.465 2.424 2.497 . 0 0 "[ . 1 .]" 1
493 1 44 GLU HB2 1 45 GLY H 2.851 . 3.867 2.614 2.084 3.004 . 0 0 "[ . 1 .]" 1
494 1 44 GLU HB3 1 45 GLY H 3.005 . 4.134 3.625 3.146 3.975 . 0 0 "[ . 1 .]" 1
495 1 44 GLU HG2 1 45 GLY H 3.112 . 4.323 4.280 4.111 4.373 0.050 2 0 "[ . 1 .]" 1
496 1 45 GLY H 1 45 GLY HA3 2.178 . 2.771 2.301 2.290 2.323 . 0 0 "[ . 1 .]" 1
497 1 45 GLY H 1 46 LYS H 2.658 . 3.541 2.597 2.410 2.692 . 0 0 "[ . 1 .]" 1
498 1 45 GLY HA3 1 46 LYS H 2.455 . 3.209 2.872 2.743 3.032 . 0 0 "[ . 1 .]" 1
499 1 46 LYS H 1 46 LYS HA 2.636 . 3.504 2.850 2.811 2.879 . 0 0 "[ . 1 .]" 1
500 1 46 LYS H 1 46 LYS HB2 2.687 . 3.589 3.538 2.623 3.614 0.025 3 0 "[ . 1 .]" 1
501 1 46 LYS H 1 46 LYS HB3 2.607 . 3.457 2.459 2.307 2.526 . 0 0 "[ . 1 .]" 1
502 1 46 LYS H 1 46 LYS HG3 3.075 . 4.257 3.610 3.443 4.504 0.247 15 0 "[ . 1 .]" 1
503 1 46 LYS HA 1 46 LYS HB2 2.978 . 4.086 2.383 2.333 2.427 . 0 0 "[ . 1 .]" 1
504 1 46 LYS HA 1 46 LYS QD 3.502 . 5.035 4.403 4.243 4.569 . 0 0 "[ . 1 .]" 1
505 1 46 LYS HA 1 46 LYS HG3 2.954 . 4.045 3.665 2.732 3.767 . 0 0 "[ . 1 .]" 1
506 1 46 LYS HB2 1 46 LYS HG3 2.670 . 3.561 2.418 2.368 2.449 . 0 0 "[ . 1 .]" 1
507 1 46 LYS HB3 1 46 LYS HG3 2.427 . 3.163 3.007 2.996 3.011 . 0 0 "[ . 1 .]" 1
508 1 46 LYS HB3 1 47 SER H 2.961 . 4.057 4.015 2.800 4.154 0.097 1 0 "[ . 1 .]" 1
509 1 46 LYS QD 1 46 LYS HE3 1.996 . 2.494 2.272 2.164 2.342 . 0 0 "[ . 1 .]" 1
510 1 46 LYS QD 1 46 LYS HG3 2.175 . 2.766 2.363 2.323 2.403 . 0 0 "[ . 1 .]" 1
511 1 46 LYS HG3 1 47 SER HA 3.511 . 5.052 3.597 3.180 4.878 . 0 0 "[ . 1 .]" 1
512 1 47 SER H 1 47 SER HA 2.532 . 3.333 2.882 2.806 2.926 . 0 0 "[ . 1 .]" 1
513 1 47 SER H 1 47 SER HB2 2.296 . 2.955 2.606 2.433 2.779 . 0 0 "[ . 1 .]" 1
514 1 47 SER H 1 47 SER HB3 2.060 . 2.591 2.587 2.516 2.622 0.031 7 0 "[ . 1 .]" 1
515 1 47 SER HA 1 47 SER HB2 2.152 . 2.731 2.513 2.473 2.539 . 0 0 "[ . 1 .]" 1
516 1 47 SER HA 1 47 SER HB3 2.545 . 3.355 3.028 3.019 3.036 . 0 0 "[ . 1 .]" 1
517 1 47 SER HA 1 48 LEU H 2.752 . 3.698 2.694 2.152 3.565 . 0 0 "[ . 1 .]" 1
518 1 48 LEU H 1 48 LEU HA 2.616 . 3.472 2.898 2.772 2.943 . 0 0 "[ . 1 .]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 12:04:48 PM GMT (wattos1)