NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
641216 |
6kox   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6kox
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 468
_Distance_constraint_stats_list.Viol_count 967
_Distance_constraint_stats_list.Viol_total 2551.260
_Distance_constraint_stats_list.Viol_max 0.838
_Distance_constraint_stats_list.Viol_rms 0.0553
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0136
_Distance_constraint_stats_list.Viol_average_violations_only 0.1319
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.189 0.054 14 0 "[ . 1 . 2]"
1 2 GLN 0.189 0.054 14 0 "[ . 1 . 2]"
1 3 ILE 1.331 0.384 5 0 "[ . 1 . 2]"
1 4 PHE 0.954 0.384 5 0 "[ . 1 . 2]"
1 5 VAL 1.183 0.188 8 0 "[ . 1 . 2]"
1 6 LYS 1.099 0.089 11 0 "[ . 1 . 2]"
1 7 THR 0.217 0.050 13 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.140 0.050 13 0 "[ . 1 . 2]"
1 12 THR 0.489 0.066 19 0 "[ . 1 . 2]"
1 13 ILE 3.659 0.300 7 0 "[ . 1 . 2]"
1 14 THR 3.722 0.300 7 0 "[ . 1 . 2]"
1 15 LEU 3.074 0.200 8 0 "[ . 1 . 2]"
1 16 GLU 0.528 0.124 19 0 "[ . 1 . 2]"
1 17 VAL 2.521 0.190 12 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PRO 4.695 0.742 12 1 "[ . 1 + . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASP 11.166 0.742 12 1 "[ . 1 + . 2]"
1 22 THR 1.377 0.160 6 0 "[ . 1 . 2]"
1 23 ILE 4.558 0.285 17 0 "[ . 1 . 2]"
1 24 GLU 2.357 0.236 17 0 "[ . 1 . 2]"
1 25 ASN 3.900 0.236 17 0 "[ . 1 . 2]"
1 26 VAL 4.746 0.281 4 0 "[ . 1 . 2]"
1 27 LYS 8.968 0.395 5 0 "[ . 1 . 2]"
1 28 ALA 6.863 0.395 5 0 "[ . 1 . 2]"
1 29 LYS 3.030 0.172 6 0 "[ . 1 . 2]"
1 30 ILE 4.424 0.163 8 0 "[ . 1 . 2]"
1 31 GLN 1.019 0.147 20 0 "[ . 1 . 2]"
1 32 ASP 0.982 0.147 20 0 "[ . 1 . 2]"
1 33 LYS 0.645 0.191 11 0 "[ . 1 . 2]"
1 34 GLU 2.859 0.124 14 0 "[ . 1 . 2]"
1 35 GLY 1.570 0.124 14 0 "[ . 1 . 2]"
1 36 ILE 1.889 0.216 8 0 "[ . 1 . 2]"
1 38 PRO 4.755 0.276 17 0 "[ . 1 . 2]"
1 39 ASP 1.077 0.118 15 0 "[ . 1 . 2]"
1 40 GLN 0.610 0.216 8 0 "[ . 1 . 2]"
1 41 GLN 0.635 0.121 7 0 "[ . 1 . 2]"
1 42 ARG 5.505 0.493 14 0 "[ . 1 . 2]"
1 43 LEU 3.443 0.257 8 0 "[ . 1 . 2]"
1 44 ILE 9.260 0.444 10 0 "[ . 1 . 2]"
1 45 PHE 0.837 0.159 2 0 "[ . 1 . 2]"
1 46 ALA 1.138 0.151 17 0 "[ . 1 . 2]"
1 47 GLY 3.268 0.444 10 0 "[ . 1 . 2]"
1 48 LYS 16.050 0.838 10 3 "[ - + . * 2]"
1 49 GLN 25.809 0.838 10 3 "[ - + . * 2]"
1 50 LEU 6.783 0.367 15 0 "[ . 1 . 2]"
1 51 GLU 0.305 0.175 17 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 1.078 0.236 6 0 "[ . 1 . 2]"
1 55 THR 0.271 0.075 1 0 "[ . 1 . 2]"
1 56 LEU 0.594 0.201 9 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 3.979 0.268 3 0 "[ . 1 . 2]"
1 59 TYR 14.835 0.427 18 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 0.663 0.201 9 0 "[ . 1 . 2]"
1 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.510 0.030 2 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 0.257 0.053 1 0 "[ . 1 . 2]"
1 68 HIS 7.191 0.402 17 0 "[ . 1 . 2]"
1 69 LEU 7.414 0.402 17 0 "[ . 1 . 2]"
1 70 VAL 1.694 0.144 15 0 "[ . 1 . 2]"
1 71 LEU 4.772 0.296 18 0 "[ . 1 . 2]"
1 72 ARG 2.169 0.213 13 0 "[ . 1 . 2]"
1 73 LEU 0.609 0.258 6 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 1 MET HA 1 2 GLN H 2.902 . 3.954 2.611 2.252 3.548 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HB2 1 2 GLN H 2.832 . 3.835 3.449 2.059 3.889 0.054 14 0 "[ . 1 . 2]" 1
3 1 2 GLN H 1 2 GLN HB2 3.088 . 4.280 2.797 2.389 3.713 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLN H 1 2 GLN HB3 2.828 . 3.827 3.320 2.548 3.712 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLN H 1 63 LYS HB2 2.788 . 3.760 3.334 2.920 3.661 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLN HA 1 3 ILE H 2.657 . 3.539 2.246 2.177 2.302 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLN HA 1 16 GLU HA 2.861 . 3.884 2.619 2.433 2.852 . 0 0 "[ . 1 . 2]" 1
8 1 3 ILE H 1 3 ILE HB 3.312 . 4.683 3.608 2.646 3.898 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE H 1 3 ILE HG12 3.209 . 4.496 2.944 2.278 4.630 0.134 18 0 "[ . 1 . 2]" 1
10 1 3 ILE H 1 15 LEU H 3.055 . 4.222 2.964 2.737 3.326 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE H 1 16 GLU HA 3.542 . 5.110 3.774 3.437 4.039 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE HA 1 3 ILE MG 2.964 . 4.062 2.464 2.254 3.196 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE HA 1 4 PHE H 2.963 . 4.060 2.471 2.397 2.519 . 0 0 "[ . 1 . 2]" 1
14 1 3 ILE HB 1 3 ILE MD 2.684 . 3.584 2.332 2.233 3.216 . 0 0 "[ . 1 . 2]" 1
15 1 3 ILE HB 1 4 PHE H 2.919 . 3.984 2.929 2.416 4.027 0.043 19 0 "[ . 1 . 2]" 1
16 1 3 ILE MG 1 4 PHE H 3.220 2.624 3.816 3.412 2.240 3.711 0.384 5 0 "[ . 1 . 2]" 1
17 1 3 ILE MG 1 64 GLU H 3.530 . 5.088 3.488 2.628 5.004 . 0 0 "[ . 1 . 2]" 1
18 1 4 PHE H 1 4 PHE HB2 3.225 . 4.525 2.650 2.553 2.707 . 0 0 "[ . 1 . 2]" 1
19 1 4 PHE HA 1 4 PHE HD1 3.292 . 4.647 3.894 3.703 4.206 . 0 0 "[ . 1 . 2]" 1
20 1 4 PHE HA 1 5 VAL H 2.791 . 3.764 2.242 2.186 2.359 . 0 0 "[ . 1 . 2]" 1
21 1 4 PHE HA 1 5 VAL MG1 3.795 . 5.595 5.475 5.426 5.518 . 0 0 "[ . 1 . 2]" 1
22 1 4 PHE HA 1 14 THR MG 3.628 . 5.273 4.597 3.362 5.156 . 0 0 "[ . 1 . 2]" 1
23 1 4 PHE HB2 1 5 VAL H 3.465 . 4.966 4.045 3.744 4.229 . 0 0 "[ . 1 . 2]" 1
24 1 4 PHE HB2 1 12 THR MG 2.706 . 3.622 3.581 3.439 3.670 0.048 8 0 "[ . 1 . 2]" 1
25 1 4 PHE HB2 1 67 LEU H 3.953 . 5.906 4.456 4.266 4.782 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL H 1 5 VAL HB 3.040 . 4.195 2.615 2.544 2.817 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL H 1 5 VAL MG1 3.176 . 4.437 3.851 3.810 3.941 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL H 1 5 VAL MG2 3.043 . 4.201 2.466 2.269 2.737 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL H 1 6 LYS H 3.935 . 5.871 4.339 4.210 4.451 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL H 1 12 THR MG 3.416 . 4.874 3.437 3.075 3.874 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL H 1 13 ILE H 3.270 . 4.607 2.761 2.622 3.045 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL H 1 13 ILE HG12 3.772 . 5.550 4.947 3.297 5.738 0.188 8 0 "[ . 1 . 2]" 1
33 1 5 VAL HA 1 5 VAL MG1 2.876 . 3.910 2.294 2.243 2.325 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL HA 1 6 LYS H 2.816 . 3.807 2.163 2.107 2.194 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL HA 1 67 LEU H 3.291 . 4.645 2.724 2.254 2.879 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL MG1 1 13 ILE H 3.406 . 4.856 4.309 4.078 4.678 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL MG1 1 67 LEU HB2 2.512 . 3.301 3.174 2.520 3.354 0.053 1 0 "[ . 1 . 2]" 1
38 1 5 VAL MG2 1 6 LYS H 3.240 . 4.552 4.157 4.073 4.207 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS H 1 6 LYS HB2 3.363 . 4.777 2.724 2.369 2.869 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS H 1 6 LYS HG2 3.146 . 4.383 4.275 2.779 4.472 0.089 11 0 "[ . 1 . 2]" 1
41 1 6 LYS H 1 68 HIS HA 3.261 . 4.590 3.503 3.280 3.728 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS HA 1 7 THR H 2.628 . 3.491 2.200 2.190 2.211 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS HA 1 12 THR MG 3.003 . 4.130 3.575 2.932 3.998 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS HA 1 13 ILE H 3.769 . 5.545 4.153 3.916 4.391 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS HB2 1 7 THR H 3.181 . 4.446 4.427 4.375 4.485 0.039 11 0 "[ . 1 . 2]" 1
46 1 7 THR H 1 7 THR HA 2.827 . 3.826 2.974 2.957 2.994 . 0 0 "[ . 1 . 2]" 1
47 1 7 THR H 1 7 THR HB 3.112 . 4.322 2.975 2.579 3.662 . 0 0 "[ . 1 . 2]" 1
48 1 7 THR H 1 7 THR MG 2.952 . 4.041 3.348 2.273 3.843 . 0 0 "[ . 1 . 2]" 1
49 1 7 THR H 1 11 LYS H 3.851 . 5.705 3.461 3.251 3.766 . 0 0 "[ . 1 . 2]" 1
50 1 7 THR H 1 12 THR HA 3.056 . 4.223 3.557 3.288 3.835 . 0 0 "[ . 1 . 2]" 1
51 1 7 THR HA 1 7 THR MG 2.861 . 3.884 2.278 2.249 2.377 . 0 0 "[ . 1 . 2]" 1
52 1 7 THR HA 1 69 LEU H 3.238 . 4.549 3.300 2.872 3.554 . 0 0 "[ . 1 . 2]" 1
53 1 7 THR HB 1 8 LEU H 3.075 . 4.257 3.283 2.455 3.841 . 0 0 "[ . 1 . 2]" 1
54 1 7 THR HB 1 11 LYS H 2.820 . 3.814 2.917 2.154 3.864 0.050 13 0 "[ . 1 . 2]" 1
55 1 7 THR MG 1 11 LYS H 3.629 . 5.275 3.832 3.627 4.033 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU H 1 8 LEU HB2 3.486 . 5.005 2.686 2.301 3.623 . 0 0 "[ . 1 . 2]" 1
57 1 8 LEU H 1 71 LEU MD1 4.038 . 6.077 4.073 3.011 5.161 . 0 0 "[ . 1 . 2]" 1
58 1 9 THR HA 1 9 THR MG 2.574 . 3.402 2.330 2.266 2.418 . 0 0 "[ . 1 . 2]" 1
59 1 10 GLY H 1 11 LYS H 3.792 . 5.590 2.385 2.289 2.490 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLY HA2 1 11 LYS H 3.878 . 5.758 3.197 3.141 3.303 . 0 0 "[ . 1 . 2]" 1
61 1 10 GLY HA3 1 11 LYS H 3.220 . 4.516 3.421 3.334 3.463 . 0 0 "[ . 1 . 2]" 1
62 1 11 LYS H 1 11 LYS HG2 2.948 . 4.034 3.087 2.178 3.939 . 0 0 "[ . 1 . 2]" 1
63 1 11 LYS HA 1 12 THR H 2.773 . 3.734 2.180 2.141 2.220 . 0 0 "[ . 1 . 2]" 1
64 1 12 THR H 1 12 THR HB 3.231 . 4.536 2.563 2.481 2.697 . 0 0 "[ . 1 . 2]" 1
65 1 12 THR HA 1 12 THR MG 2.910 . 3.969 2.310 2.270 2.340 . 0 0 "[ . 1 . 2]" 1
66 1 12 THR HA 1 13 ILE H 2.801 . 3.781 2.179 2.150 2.203 . 0 0 "[ . 1 . 2]" 1
67 1 12 THR HB 1 12 THR MG 2.871 . 3.901 2.145 2.140 2.149 . 0 0 "[ . 1 . 2]" 1
68 1 12 THR MG 1 13 ILE H 3.135 . 4.364 2.763 2.511 3.010 . 0 0 "[ . 1 . 2]" 1
69 1 12 THR MG 1 13 ILE HA 2.830 . 3.831 3.798 3.629 3.897 0.066 19 0 "[ . 1 . 2]" 1
70 1 13 ILE H 1 13 ILE HB 3.136 . 4.365 3.090 2.690 3.848 . 0 0 "[ . 1 . 2]" 1
71 1 13 ILE H 1 13 ILE HG12 3.348 . 4.749 3.265 1.959 4.426 . 0 0 "[ . 1 . 2]" 1
72 1 13 ILE H 1 14 THR H 4.488 . 7.005 4.486 4.413 4.532 . 0 0 "[ . 1 . 2]" 1
73 1 13 ILE HA 1 14 THR H 2.728 . 3.659 2.235 2.205 2.270 . 0 0 "[ . 1 . 2]" 1
74 1 13 ILE HB 1 14 THR H 3.410 . 4.863 3.681 2.935 4.112 . 0 0 "[ . 1 . 2]" 1
75 1 13 ILE MD 1 14 THR H 3.324 . 4.705 4.721 3.960 5.005 0.300 7 0 "[ . 1 . 2]" 1
76 1 14 THR H 1 14 THR HB 3.014 . 4.149 3.081 2.534 3.723 . 0 0 "[ . 1 . 2]" 1
77 1 14 THR H 1 14 THR MG 3.385 . 4.817 2.217 1.861 3.823 0.092 5 0 "[ . 1 . 2]" 1
78 1 14 THR HA 1 15 LEU H 2.664 . 3.551 2.196 2.168 2.242 . 0 0 "[ . 1 . 2]" 1
79 1 14 THR HB 1 14 THR MG 2.777 . 3.741 2.143 2.138 2.148 . 0 0 "[ . 1 . 2]" 1
80 1 14 THR MG 1 15 LEU H 2.916 . 3.979 3.814 2.517 4.145 0.166 2 0 "[ . 1 . 2]" 1
81 1 15 LEU H 1 15 LEU MD1 3.097 . 4.296 3.685 2.241 3.927 . 0 0 "[ . 1 . 2]" 1
82 1 15 LEU H 1 15 LEU MD2 3.080 . 4.266 4.166 3.907 4.466 0.200 8 0 "[ . 1 . 2]" 1
83 1 15 LEU MD1 1 30 ILE MD 3.299 2.480 4.118 2.810 2.492 3.147 . 0 0 "[ . 1 . 2]" 1
84 1 15 LEU MD2 1 29 LYS HB2 3.215 2.360 4.070 4.075 3.822 4.134 0.064 2 0 "[ . 1 . 2]" 1
85 1 15 LEU MD2 1 34 GLU H 3.417 . 4.877 4.940 4.842 4.989 0.112 14 0 "[ . 1 . 2]" 1
86 1 16 GLU H 1 16 GLU HB2 2.711 . 3.630 2.709 2.475 3.664 0.034 14 0 "[ . 1 . 2]" 1
87 1 16 GLU H 1 16 GLU HB3 3.244 . 4.560 3.382 2.564 3.776 . 0 0 "[ . 1 . 2]" 1
88 1 16 GLU H 1 17 VAL MG1 3.130 . 4.355 3.672 3.388 4.479 0.124 19 0 "[ . 1 . 2]" 1
89 1 16 GLU HA 1 16 GLU HB2 2.766 . 3.722 2.866 2.490 3.044 . 0 0 "[ . 1 . 2]" 1
90 1 16 GLU HA 1 17 VAL H 2.536 . 3.340 2.227 2.204 2.240 . 0 0 "[ . 1 . 2]" 1
91 1 16 GLU HB3 1 17 VAL H 3.318 . 4.694 3.672 3.295 4.245 . 0 0 "[ . 1 . 2]" 1
92 1 17 VAL H 1 17 VAL MG1 3.340 . 4.735 2.489 2.132 2.661 . 0 0 "[ . 1 . 2]" 1
93 1 17 VAL H 1 17 VAL MG2 2.974 . 4.079 2.854 2.476 3.837 . 0 0 "[ . 1 . 2]" 1
94 1 17 VAL HA 1 18 GLU H 2.788 . 3.759 2.507 2.385 2.624 . 0 0 "[ . 1 . 2]" 1
95 1 17 VAL MG1 1 18 GLU H 3.234 . 4.542 3.839 3.644 3.928 . 0 0 "[ . 1 . 2]" 1
96 1 17 VAL MG2 1 21 ASP H 3.073 . 4.254 4.248 3.788 4.444 0.190 12 0 "[ . 1 . 2]" 1
97 1 18 GLU H 1 18 GLU HB2 2.631 . 3.255 2.425 2.345 2.629 . 0 0 "[ . 1 . 2]" 1
98 1 18 GLU H 1 18 GLU HB3 3.015 . 4.151 3.657 3.598 3.763 . 0 0 "[ . 1 . 2]" 1
99 1 18 GLU HA 1 19 PRO HD2 2.399 . 3.118 2.405 2.335 3.091 . 0 0 "[ . 1 . 2]" 1
100 1 18 GLU HB3 1 20 SER H 3.419 . 4.880 2.739 2.579 3.143 . 0 0 "[ . 1 . 2]" 1
101 1 18 GLU HB3 1 21 ASP H 2.844 . 3.855 3.453 3.244 3.831 . 0 0 "[ . 1 . 2]" 1
102 1 19 PRO HA 1 20 SER H 2.816 . 3.807 3.529 3.515 3.556 . 0 0 "[ . 1 . 2]" 1
103 1 19 PRO HA 1 21 ASP H 3.136 . 4.365 3.624 3.389 3.703 . 0 0 "[ . 1 . 2]" 1
104 1 19 PRO HG2 1 20 SER H 2.869 . 3.898 2.244 2.130 2.875 . 0 0 "[ . 1 . 2]" 1
105 1 19 PRO HG2 1 21 ASP H 3.150 . 4.390 4.625 4.555 5.132 0.742 12 1 "[ . 1 + . 2]" 1
106 1 20 SER H 1 20 SER HB2 3.029 . 4.176 2.809 2.403 3.654 . 0 0 "[ . 1 . 2]" 1
107 1 20 SER H 1 20 SER HB3 3.055 . 4.222 2.906 2.265 3.647 . 0 0 "[ . 1 . 2]" 1
108 1 20 SER H 1 21 ASP H 3.059 . 3.833 2.543 2.425 2.623 . 0 0 "[ . 1 . 2]" 1
109 1 20 SER HA 1 21 ASP H 3.115 . 4.328 3.278 3.211 3.311 . 0 0 "[ . 1 . 2]" 1
110 1 21 ASP H 1 21 ASP HB2 3.044 . 4.202 2.297 2.249 2.343 . 0 0 "[ . 1 . 2]" 1
111 1 21 ASP H 1 21 ASP HB3 2.735 . 3.272 2.959 2.875 3.059 . 0 0 "[ . 1 . 2]" 1
112 1 21 ASP H 1 55 THR MG 3.305 . 4.670 4.348 3.569 4.729 0.059 6 0 "[ . 1 . 2]" 1
113 1 21 ASP HA 1 21 ASP HB2 2.479 . 3.247 2.681 2.641 2.726 . 0 0 "[ . 1 . 2]" 1
114 1 21 ASP HA 1 21 ASP HB3 2.415 . 3.144 3.015 3.001 3.025 . 0 0 "[ . 1 . 2]" 1
115 1 21 ASP HA 1 22 THR H 2.589 . 3.427 2.300 2.272 2.343 . 0 0 "[ . 1 . 2]" 1
116 1 21 ASP HB2 1 22 THR H 3.386 . 4.819 4.258 4.206 4.297 . 0 0 "[ . 1 . 2]" 1
117 1 21 ASP HB3 1 22 THR H 2.994 . 4.115 3.607 3.445 3.716 . 0 0 "[ . 1 . 2]" 1
118 1 21 ASP HB3 1 26 VAL MG1 3.287 2.384 4.190 4.403 4.324 4.471 0.281 4 0 "[ . 1 . 2]" 1
119 1 21 ASP HB3 1 26 VAL MG2 2.766 . 3.722 2.212 2.098 2.343 . 0 0 "[ . 1 . 2]" 1
120 1 22 THR H 1 22 THR MG 3.020 2.110 3.644 2.524 2.140 3.795 0.151 12 0 "[ . 1 . 2]" 1
121 1 22 THR H 1 25 ASN HB2 3.391 . 4.828 2.832 2.240 3.676 . 0 0 "[ . 1 . 2]" 1
122 1 22 THR H 1 25 ASN HB3 2.860 2.041 3.679 3.054 2.264 3.808 0.129 6 0 "[ . 1 . 2]" 1
123 1 22 THR HA 1 23 ILE H 2.655 . 3.536 2.352 2.272 2.444 . 0 0 "[ . 1 . 2]" 1
124 1 22 THR HA 1 56 LEU H 3.341 . 4.736 3.773 3.461 3.999 . 0 0 "[ . 1 . 2]" 1
125 1 22 THR HB 1 22 THR MG 2.015 . 2.523 2.145 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
126 1 22 THR HB 1 23 ILE H 2.444 . 3.191 2.900 2.656 3.351 0.160 6 0 "[ . 1 . 2]" 1
127 1 22 THR HB 1 24 GLU H 3.857 . 5.717 2.941 2.767 3.136 . 0 0 "[ . 1 . 2]" 1
128 1 22 THR MG 1 55 THR HA 2.787 . 3.758 3.500 3.212 3.747 . 0 0 "[ . 1 . 2]" 1
129 1 23 ILE H 1 23 ILE HB 2.938 . 4.017 2.590 2.357 2.777 . 0 0 "[ . 1 . 2]" 1
130 1 23 ILE H 1 23 ILE MD 3.183 . 4.449 2.389 1.806 2.932 0.111 3 0 "[ . 1 . 2]" 1
131 1 23 ILE H 1 23 ILE HG12 3.119 . 4.335 2.640 1.866 3.921 0.037 16 0 "[ . 1 . 2]" 1
132 1 23 ILE HA 1 23 ILE MD 2.327 . 3.004 2.327 2.073 2.871 . 0 0 "[ . 1 . 2]" 1
133 1 23 ILE HA 1 23 ILE HG12 3.115 . 4.328 3.409 3.246 3.644 . 0 0 "[ . 1 . 2]" 1
134 1 23 ILE HA 1 23 ILE HG13 3.127 . 4.349 3.256 2.312 3.758 . 0 0 "[ . 1 . 2]" 1
135 1 23 ILE HA 1 26 VAL H 2.982 . 4.094 3.437 3.237 3.563 . 0 0 "[ . 1 . 2]" 1
136 1 23 ILE HA 1 26 VAL HB 2.505 . 3.289 2.652 2.411 2.906 . 0 0 "[ . 1 . 2]" 1
137 1 23 ILE HA 1 26 VAL MG1 3.818 2.962 4.674 4.060 3.846 4.319 . 0 0 "[ . 1 . 2]" 1
138 1 23 ILE HB 1 24 GLU H 3.540 . 5.106 2.651 2.537 2.731 . 0 0 "[ . 1 . 2]" 1
139 1 23 ILE HG12 1 59 TYR HE1 3.595 . 4.305 4.167 3.266 4.586 0.281 18 0 "[ . 1 . 2]" 1
140 1 23 ILE HG13 1 59 TYR HE1 3.034 . 4.185 3.917 3.480 4.470 0.285 17 0 "[ . 1 . 2]" 1
141 1 24 GLU H 1 24 GLU HA 2.856 . 3.875 2.856 2.840 2.873 . 0 0 "[ . 1 . 2]" 1
142 1 24 GLU H 1 27 LYS QB 3.433 . 4.906 4.901 4.632 5.041 0.135 19 0 "[ . 1 . 2]" 1
143 1 24 GLU HA 1 25 ASN H 2.811 . 3.799 3.560 3.544 3.574 . 0 0 "[ . 1 . 2]" 1
144 1 24 GLU HA 1 27 LYS H 3.251 2.315 4.251 3.467 3.349 3.550 . 0 0 "[ . 1 . 2]" 1
145 1 24 GLU HA 1 27 LYS QB 2.860 2.029 3.691 2.636 2.496 2.775 . 0 0 "[ . 1 . 2]" 1
146 1 24 GLU HA 1 28 ALA MB 4.391 3.677 6.005 4.979 4.753 5.174 . 0 0 "[ . 1 . 2]" 1
147 1 24 GLU HB2 1 25 ASN H 2.626 . 3.488 3.160 2.451 3.724 0.236 17 0 "[ . 1 . 2]" 1
148 1 25 ASN H 1 25 ASN HB2 3.125 2.505 4.021 2.472 2.381 2.537 0.124 6 0 "[ . 1 . 2]" 1
149 1 25 ASN H 1 25 ASN HB3 2.850 2.715 3.865 3.073 2.605 3.619 0.110 11 0 "[ . 1 . 2]" 1
150 1 25 ASN HA 1 25 ASN HB2 2.346 . 3.034 2.752 2.495 3.037 0.003 16 0 "[ . 1 . 2]" 1
151 1 25 ASN HA 1 25 ASN HB3 2.436 . 3.178 2.805 2.496 3.037 . 0 0 "[ . 1 . 2]" 1
152 1 25 ASN HA 1 26 VAL H 2.791 . 3.764 3.543 3.527 3.560 . 0 0 "[ . 1 . 2]" 1
153 1 25 ASN HA 1 28 ALA H 3.120 2.627 3.812 3.447 3.306 3.535 . 0 0 "[ . 1 . 2]" 1
154 1 25 ASN HA 1 28 ALA MB 2.802 2.250 3.354 2.681 2.496 2.879 . 0 0 "[ . 1 . 2]" 1
155 1 25 ASN HB2 1 26 VAL H 3.553 2.388 4.718 3.319 2.510 3.925 . 0 0 "[ . 1 . 2]" 1
156 1 25 ASN HB3 1 26 VAL H 3.074 . 4.255 3.079 2.545 3.695 . 0 0 "[ . 1 . 2]" 1
157 1 26 VAL H 1 26 VAL HA 2.762 . 3.716 2.889 2.862 2.905 . 0 0 "[ . 1 . 2]" 1
158 1 26 VAL H 1 26 VAL HB 2.722 . 3.648 2.494 2.448 2.561 . 0 0 "[ . 1 . 2]" 1
159 1 26 VAL H 1 26 VAL MG1 2.847 . 3.860 3.770 3.760 3.784 . 0 0 "[ . 1 . 2]" 1
160 1 26 VAL H 1 26 VAL MG2 2.718 . 3.642 2.158 2.003 2.241 . 0 0 "[ . 1 . 2]" 1
161 1 26 VAL H 1 27 LYS H 3.058 . 4.227 2.565 2.479 2.675 . 0 0 "[ . 1 . 2]" 1
162 1 26 VAL HA 1 29 LYS H 2.967 . 4.067 3.329 3.213 3.483 . 0 0 "[ . 1 . 2]" 1
163 1 26 VAL HB 1 26 VAL MG2 2.791 . 3.765 2.150 2.145 2.153 . 0 0 "[ . 1 . 2]" 1
164 1 26 VAL HB 1 27 LYS H 2.836 . 3.408 2.880 2.755 2.937 . 0 0 "[ . 1 . 2]" 1
165 1 26 VAL MG1 1 27 LYS H 2.905 . 3.960 3.649 3.587 3.731 . 0 0 "[ . 1 . 2]" 1
166 1 26 VAL MG1 1 27 LYS HA 2.809 2.022 3.596 3.612 3.539 3.696 0.100 7 0 "[ . 1 . 2]" 1
167 1 26 VAL MG1 1 29 LYS H 3.383 . 4.814 4.552 4.433 4.693 . 0 0 "[ . 1 . 2]" 1
168 1 26 VAL MG2 1 29 LYS H 4.215 3.002 5.428 5.117 5.032 5.245 . 0 0 "[ . 1 . 2]" 1
169 1 27 LYS H 1 27 LYS HA 2.657 . 3.539 2.887 2.859 2.903 . 0 0 "[ . 1 . 2]" 1
170 1 27 LYS H 1 27 LYS HB2 2.580 . 3.224 2.281 2.246 2.390 . 0 0 "[ . 1 . 2]" 1
171 1 27 LYS H 1 27 LYS QB 2.465 . 3.224 2.247 2.174 2.279 . 0 0 "[ . 1 . 2]" 1
172 1 27 LYS H 1 27 LYS HB3 2.793 . 3.768 3.486 2.666 3.583 . 0 0 "[ . 1 . 2]" 1
173 1 27 LYS H 1 28 ALA MB 2.771 . 3.731 4.072 4.037 4.126 0.395 5 0 "[ . 1 . 2]" 1
174 1 27 LYS H 1 43 LEU MD1 3.859 3.041 4.677 4.651 4.406 4.934 0.257 8 0 "[ . 1 . 2]" 1
175 1 27 LYS HA 1 30 ILE H 3.513 . 5.055 3.414 3.257 3.526 . 0 0 "[ . 1 . 2]" 1
176 1 27 LYS HA 1 30 ILE HB 3.336 2.654 4.018 2.753 2.572 2.962 0.082 6 0 "[ . 1 . 2]" 1
177 1 27 LYS QB 1 28 ALA H 2.561 . 3.381 2.677 2.607 2.760 . 0 0 "[ . 1 . 2]" 1
178 1 27 LYS HB2 1 28 ALA H 3.297 . 4.656 2.867 2.709 3.734 . 0 0 "[ . 1 . 2]" 1
179 1 27 LYS HB3 1 28 ALA H 3.033 . 4.183 3.455 2.661 3.631 . 0 0 "[ . 1 . 2]" 1
180 1 27 LYS QE 1 43 LEU MD1 3.215 2.360 4.070 2.878 2.357 4.110 0.040 6 0 "[ . 1 . 2]" 1
181 1 28 ALA H 1 28 ALA HA 2.983 . 3.149 2.856 2.844 2.867 . 0 0 "[ . 1 . 2]" 1
182 1 28 ALA H 1 28 ALA MB . . 2.490 2.153 2.106 2.208 . 0 0 "[ . 1 . 2]" 1
183 1 28 ALA HA 1 28 ALA MB 1.999 . 2.498 2.147 2.142 2.155 . 0 0 "[ . 1 . 2]" 1
184 1 28 ALA HA 1 29 LYS H 3.046 . 4.206 3.556 3.525 3.584 . 0 0 "[ . 1 . 2]" 1
185 1 28 ALA HA 1 31 GLN H 3.143 . 4.378 3.369 3.220 3.466 . 0 0 "[ . 1 . 2]" 1
186 1 28 ALA HA 1 31 GLN HB2 2.827 2.090 3.564 3.266 2.643 3.601 0.037 6 0 "[ . 1 . 2]" 1
187 1 28 ALA MB 1 29 LYS H 2.421 . 3.153 2.283 2.100 2.438 . 0 0 "[ . 1 . 2]" 1
188 1 28 ALA MB 1 32 ASP H 3.435 . 4.910 4.480 4.183 4.723 . 0 0 "[ . 1 . 2]" 1
189 1 29 LYS H 1 29 LYS HA 2.749 . 3.693 2.817 2.789 2.869 . 0 0 "[ . 1 . 2]" 1
190 1 29 LYS H 1 29 LYS HB2 2.689 . 3.275 2.590 2.372 2.725 . 0 0 "[ . 1 . 2]" 1
191 1 29 LYS H 1 29 LYS HB3 2.674 . 3.568 3.626 3.613 3.645 0.077 18 0 "[ . 1 . 2]" 1
192 1 29 LYS H 1 29 LYS HD2 2.853 . 3.871 3.842 2.281 3.988 0.117 4 0 "[ . 1 . 2]" 1
193 1 29 LYS H 1 29 LYS HG2 2.643 . 3.516 2.713 1.849 3.688 0.172 6 0 "[ . 1 . 2]" 1
194 1 29 LYS H 1 30 ILE H 3.046 . 3.846 2.854 2.703 2.935 . 0 0 "[ . 1 . 2]" 1
195 1 29 LYS HA 1 29 LYS HB2 2.470 . 3.233 3.034 3.016 3.037 . 0 0 "[ . 1 . 2]" 1
196 1 29 LYS HA 1 30 ILE H 3.585 . 5.192 3.564 3.533 3.574 . 0 0 "[ . 1 . 2]" 1
197 1 29 LYS HA 1 32 ASP H 2.883 . 3.922 3.662 3.546 3.799 . 0 0 "[ . 1 . 2]" 1
198 1 29 LYS HB3 1 30 ILE H 2.746 . 3.688 3.547 3.364 3.653 . 0 0 "[ . 1 . 2]" 1
199 1 30 ILE H 1 30 ILE HB 2.788 . 3.760 2.468 2.428 2.509 . 0 0 "[ . 1 . 2]" 1
200 1 30 ILE H 1 30 ILE MG 3.521 2.727 4.315 3.776 3.767 3.802 . 0 0 "[ . 1 . 2]" 1
201 1 30 ILE HA 1 30 ILE HB 2.721 . 3.647 3.033 3.029 3.035 . 0 0 "[ . 1 . 2]" 1
202 1 30 ILE HA 1 30 ILE MG 2.810 2.305 3.315 2.375 2.327 2.428 . 0 0 "[ . 1 . 2]" 1
203 1 30 ILE HA 1 33 LYS HB2 3.519 . 5.191 2.956 2.508 3.339 . 0 0 "[ . 1 . 2]" 1
204 1 30 ILE HA 1 33 LYS HB3 3.575 2.042 5.108 4.651 4.157 5.075 . 0 0 "[ . 1 . 2]" 1
205 1 30 ILE HB 1 30 ILE MG 2.807 2.309 3.305 2.158 2.146 2.161 0.163 8 0 "[ . 1 . 2]" 1
206 1 30 ILE MG 1 31 GLN H 3.253 2.438 4.068 3.397 3.203 3.584 . 0 0 "[ . 1 . 2]" 1
207 1 30 ILE MG 1 31 GLN HA 3.500 2.575 4.425 3.401 3.275 3.502 . 0 0 "[ . 1 . 2]" 1
208 1 30 ILE MG 1 34 GLU H 2.949 . 4.036 3.538 3.234 3.867 . 0 0 "[ . 1 . 2]" 1
209 1 30 ILE MG 1 36 ILE H 3.277 2.381 4.173 4.236 4.181 4.301 0.128 11 0 "[ . 1 . 2]" 1
210 1 31 GLN H 1 31 GLN HA 2.810 . 3.797 2.858 2.832 2.890 . 0 0 "[ . 1 . 2]" 1
211 1 31 GLN H 1 31 GLN HB2 2.752 2.041 3.699 2.503 2.414 2.653 . 0 0 "[ . 1 . 2]" 1
212 1 31 GLN H 1 31 GLN HB3 2.885 2.041 3.729 2.575 2.437 2.663 . 0 0 "[ . 1 . 2]" 1
213 1 31 GLN H 1 31 GLN HG2 3.815 2.894 4.736 4.484 4.430 4.522 . 0 0 "[ . 1 . 2]" 1
214 1 31 GLN H 1 32 ASP H 3.143 . 4.378 2.744 2.660 2.820 . 0 0 "[ . 1 . 2]" 1
215 1 31 GLN HA 1 31 GLN HB2 2.827 2.090 3.564 2.495 2.437 2.533 . 0 0 "[ . 1 . 2]" 1
216 1 31 GLN HA 1 31 GLN HB3 2.827 2.090 3.564 3.033 3.029 3.036 . 0 0 "[ . 1 . 2]" 1
217 1 31 GLN HA 1 34 GLU H 3.544 . 5.114 3.868 3.646 4.109 . 0 0 "[ . 1 . 2]" 1
218 1 31 GLN HA 1 35 GLY H 3.082 2.372 3.792 3.088 2.815 3.611 . 0 0 "[ . 1 . 2]" 1
219 1 31 GLN HA 1 36 ILE H 2.700 2.548 3.611 3.256 2.749 3.602 . 0 0 "[ . 1 . 2]" 1
220 1 31 GLN HB2 1 32 ASP H 3.154 2.041 3.729 3.757 3.654 3.810 0.081 3 0 "[ . 1 . 2]" 1
221 1 31 GLN HG2 1 32 ASP H 3.032 . 4.181 3.775 3.526 4.328 0.147 20 0 "[ . 1 . 2]" 1
222 1 32 ASP H 1 32 ASP HA 2.994 . 4.114 2.857 2.830 2.898 . 0 0 "[ . 1 . 2]" 1
223 1 32 ASP H 1 33 LYS H 2.714 . 3.635 2.726 2.584 2.797 . 0 0 "[ . 1 . 2]" 1
224 1 32 ASP HA 1 33 LYS H 2.845 . 3.720 3.533 3.484 3.561 . 0 0 "[ . 1 . 2]" 1
225 1 33 LYS H 1 33 LYS HG2 2.603 . 3.450 2.907 2.239 3.641 0.191 11 0 "[ . 1 . 2]" 1
226 1 33 LYS H 1 34 GLU H 2.941 . 3.323 2.486 2.357 2.681 . 0 0 "[ . 1 . 2]" 1
227 1 33 LYS HA 1 33 LYS HG2 2.802 2.081 3.523 2.621 2.338 2.876 . 0 0 "[ . 1 . 2]" 1
228 1 33 LYS HA 1 34 GLU H 3.433 . 3.952 3.593 3.575 3.610 . 0 0 "[ . 1 . 2]" 1
229 1 33 LYS HB3 1 34 GLU H 2.806 . 3.790 3.566 3.396 3.735 . 0 0 "[ . 1 . 2]" 1
230 1 34 GLU H 1 34 GLU HB2 2.846 . 3.858 2.458 2.340 2.627 . 0 0 "[ . 1 . 2]" 1
231 1 34 GLU H 1 35 GLY HA2 3.246 . 4.563 4.642 4.599 4.687 0.124 14 0 "[ . 1 . 2]" 1
232 1 34 GLU HA 1 35 GLY H 3.510 . 5.050 3.472 3.368 3.513 . 0 0 "[ . 1 . 2]" 1
233 1 35 GLY H 1 35 GLY HA2 2.616 . 2.820 2.357 2.342 2.375 . 0 0 "[ . 1 . 2]" 1
234 1 35 GLY H 1 35 GLY HA3 2.868 . 3.104 2.908 2.876 2.935 . 0 0 "[ . 1 . 2]" 1
235 1 35 GLY H 1 36 ILE H 3.182 . 4.448 2.670 2.526 2.787 . 0 0 "[ . 1 . 2]" 1
236 1 35 GLY HA2 1 36 ILE H 3.012 . 4.146 3.303 3.245 3.347 . 0 0 "[ . 1 . 2]" 1
237 1 35 GLY HA3 1 36 ILE H 2.724 . 3.651 3.348 3.307 3.402 . 0 0 "[ . 1 . 2]" 1
238 1 36 ILE H 1 36 ILE HB 2.525 2.210 2.728 2.610 2.537 2.683 . 0 0 "[ . 1 . 2]" 1
239 1 36 ILE H 1 36 ILE HG12 2.572 . 3.399 3.089 2.011 3.457 0.058 3 0 "[ . 1 . 2]" 1
240 1 36 ILE H 1 36 ILE MG 3.059 2.240 3.878 3.812 3.780 3.828 . 0 0 "[ . 1 . 2]" 1
241 1 36 ILE HA 1 36 ILE HB 2.423 2.210 3.157 3.026 3.016 3.034 . 0 0 "[ . 1 . 2]" 1
242 1 36 ILE HA 1 36 ILE MG 2.263 . 2.903 2.312 2.263 2.357 . 0 0 "[ . 1 . 2]" 1
243 1 36 ILE HB 1 36 ILE MG 1.980 . 2.470 2.151 2.146 2.154 . 0 0 "[ . 1 . 2]" 1
244 1 36 ILE MG 1 40 GLN HB2 2.802 2.250 3.354 2.723 2.299 3.570 0.216 8 0 "[ . 1 . 2]" 1
245 1 38 PRO HA 1 38 PRO HG2 2.851 2.231 3.533 3.771 3.749 3.809 0.276 17 0 "[ . 1 . 2]" 1
246 1 39 ASP H 1 39 ASP HA 2.630 . 3.494 2.897 2.852 2.920 . 0 0 "[ . 1 . 2]" 1
247 1 39 ASP H 1 40 GLN H 3.210 . 4.498 2.617 2.522 2.788 . 0 0 "[ . 1 . 2]" 1
248 1 39 ASP HA 1 39 ASP HB2 2.266 . 2.908 2.731 2.398 3.026 0.118 15 0 "[ . 1 . 2]" 1
249 1 39 ASP HA 1 40 GLN H 2.957 . 3.374 3.352 3.324 3.412 0.038 11 0 "[ . 1 . 2]" 1
250 1 40 GLN H 1 40 GLN HB2 2.696 . 3.604 2.575 2.391 2.975 . 0 0 "[ . 1 . 2]" 1
251 1 40 GLN H 1 40 GLN QB 2.609 . 3.460 2.424 2.361 2.550 . 0 0 "[ . 1 . 2]" 1
252 1 40 GLN H 1 40 GLN HB3 2.752 . 3.698 3.367 2.586 3.739 0.041 15 0 "[ . 1 . 2]" 1
253 1 40 GLN H 1 41 GLN H 2.821 . 3.816 2.087 1.968 2.291 . 0 0 "[ . 1 . 2]" 1
254 1 40 GLN HA 1 40 GLN HG2 2.818 . 3.810 2.803 2.353 3.684 . 0 0 "[ . 1 . 2]" 1
255 1 40 GLN HA 1 41 GLN H 2.997 . 4.119 3.444 3.277 3.550 . 0 0 "[ . 1 . 2]" 1
256 1 40 GLN HB3 1 41 GLN H 3.075 . 4.257 3.716 2.769 4.307 0.050 7 0 "[ . 1 . 2]" 1
257 1 41 GLN H 1 41 GLN HB2 2.790 . 3.763 3.038 2.372 3.884 0.121 7 0 "[ . 1 . 2]" 1
258 1 41 GLN H 1 41 GLN HG2 3.144 . 4.379 3.090 1.899 4.468 0.089 8 0 "[ . 1 . 2]" 1
259 1 41 GLN H 1 42 ARG H 4.079 . 6.159 4.511 4.414 4.590 . 0 0 "[ . 1 . 2]" 1
260 1 41 GLN HA 1 42 ARG H 2.719 . 3.102 2.222 2.136 2.333 . 0 0 "[ . 1 . 2]" 1
261 1 42 ARG H 1 42 ARG HA 2.691 . 3.596 2.994 2.965 3.007 . 0 0 "[ . 1 . 2]" 1
262 1 42 ARG H 1 42 ARG HB2 2.892 . 3.938 2.649 2.396 3.003 . 0 0 "[ . 1 . 2]" 1
263 1 42 ARG H 1 42 ARG HB3 2.934 . 4.010 3.724 2.947 3.864 . 0 0 "[ . 1 . 2]" 1
264 1 42 ARG H 1 42 ARG HG2 2.951 . 4.040 3.803 2.736 4.522 0.482 10 0 "[ . 1 . 2]" 1
265 1 42 ARG H 1 70 VAL H 3.383 . 4.814 3.329 2.979 3.592 . 0 0 "[ . 1 . 2]" 1
266 1 42 ARG H 1 71 LEU HA 3.623 . 5.263 3.404 3.068 3.844 . 0 0 "[ . 1 . 2]" 1
267 1 42 ARG HA 1 42 ARG HD2 3.249 2.249 4.249 4.103 2.262 4.742 0.493 14 0 "[ . 1 . 2]" 1
268 1 42 ARG HA 1 42 ARG HG2 2.120 . 2.682 2.469 2.304 2.938 0.256 11 0 "[ . 1 . 2]" 1
269 1 42 ARG HA 1 43 LEU H . . 2.705 2.203 2.109 2.296 . 0 0 "[ . 1 . 2]" 1
270 1 42 ARG HD2 1 42 ARG HG2 2.827 2.090 3.564 2.690 2.232 3.017 . 0 0 "[ . 1 . 2]" 1
271 1 43 LEU H 1 43 LEU HB2 2.831 . 3.787 2.557 2.295 2.711 . 0 0 "[ . 1 . 2]" 1
272 1 43 LEU H 1 43 LEU HB3 3.013 . 4.148 3.650 3.597 3.703 . 0 0 "[ . 1 . 2]" 1
273 1 43 LEU H 1 43 LEU MD1 3.400 . 4.845 3.533 3.263 3.740 . 0 0 "[ . 1 . 2]" 1
274 1 43 LEU HA 1 43 LEU HB2 2.869 . 3.898 3.023 3.009 3.034 . 0 0 "[ . 1 . 2]" 1
275 1 43 LEU HA 1 43 LEU HB3 2.914 . 3.975 2.435 2.361 2.603 . 0 0 "[ . 1 . 2]" 1
276 1 43 LEU HA 1 43 LEU MD1 2.784 . 3.753 3.824 3.779 3.884 0.131 7 0 "[ . 1 . 2]" 1
277 1 43 LEU HA 1 43 LEU MD2 2.334 . 3.015 2.169 2.086 2.258 . 0 0 "[ . 1 . 2]" 1
278 1 43 LEU HA 1 44 ILE H 2.698 . 3.037 2.156 2.136 2.179 . 0 0 "[ . 1 . 2]" 1
279 1 43 LEU HA 1 69 LEU HA 2.827 . 3.704 2.866 2.741 3.026 . 0 0 "[ . 1 . 2]" 1
280 1 43 LEU HA 1 70 VAL H 2.660 . 3.544 3.574 3.328 3.688 0.144 15 0 "[ . 1 . 2]" 1
281 1 43 LEU HB2 1 43 LEU MD1 2.559 . 3.377 2.336 2.208 2.450 . 0 0 "[ . 1 . 2]" 1
282 1 43 LEU HB3 1 43 LEU MD2 2.817 2.202 3.432 2.301 2.210 2.389 . 0 0 "[ . 1 . 2]" 1
283 1 43 LEU HB3 1 44 ILE H 2.877 . 3.912 3.455 3.280 3.605 . 0 0 "[ . 1 . 2]" 1
284 1 43 LEU MD2 1 44 ILE H 3.612 2.359 4.865 3.744 3.333 3.881 . 0 0 "[ . 1 . 2]" 1
285 1 43 LEU MD2 1 69 LEU HA 2.486 . 3.259 2.922 2.528 3.249 . 0 0 "[ . 1 . 2]" 1
286 1 44 ILE H 1 44 ILE HB 3.004 . 3.470 2.594 2.373 2.729 . 0 0 "[ . 1 . 2]" 1
287 1 44 ILE H 1 44 ILE MD 3.133 . 4.360 3.077 2.087 4.118 . 0 0 "[ . 1 . 2]" 1
288 1 44 ILE H 1 44 ILE HG12 3.187 . 4.457 3.729 2.522 4.363 . 0 0 "[ . 1 . 2]" 1
289 1 44 ILE H 1 44 ILE MG 3.583 2.615 4.551 3.840 3.719 3.915 . 0 0 "[ . 1 . 2]" 1
290 1 44 ILE H 1 68 HIS HB2 3.852 2.700 4.300 3.558 3.279 3.904 . 0 0 "[ . 1 . 2]" 1
291 1 44 ILE H 1 69 LEU HA 3.800 3.000 4.600 3.452 3.079 3.693 . 0 0 "[ . 1 . 2]" 1
292 1 44 ILE HA 1 44 ILE MD 3.462 . 4.961 3.048 2.083 3.819 . 0 0 "[ . 1 . 2]" 1
293 1 44 ILE HA 1 44 ILE HG12 3.726 . 5.461 3.167 2.473 3.659 . 0 0 "[ . 1 . 2]" 1
294 1 44 ILE HA 1 44 ILE MG 2.949 . 4.036 2.370 2.261 2.525 . 0 0 "[ . 1 . 2]" 1
295 1 44 ILE HA 1 45 PHE H 2.772 . 3.733 2.226 2.185 2.281 . 0 0 "[ . 1 . 2]" 1
296 1 44 ILE HA 1 50 LEU MD2 4.037 . 6.074 3.973 2.892 4.454 . 0 0 "[ . 1 . 2]" 1
297 1 44 ILE HB 1 44 ILE HG12 2.721 . 3.646 2.686 2.422 3.037 . 0 0 "[ . 1 . 2]" 1
298 1 44 ILE HB 1 44 ILE MG . 2.441 2.810 2.148 2.141 2.158 0.300 7 0 "[ . 1 . 2]" 1
299 1 44 ILE HB 1 45 PHE H 3.649 . 5.314 4.057 3.855 4.278 . 0 0 "[ . 1 . 2]" 1
300 1 44 ILE HB 1 68 HIS HB2 2.805 . 3.788 2.505 2.330 2.866 . 0 0 "[ . 1 . 2]" 1
301 1 44 ILE MD 1 49 GLN HA 2.881 2.111 3.651 3.411 2.188 3.756 0.105 3 0 "[ . 1 . 2]" 1
302 1 44 ILE MG 1 45 PHE H 3.069 . 3.695 2.385 2.030 2.794 . 0 0 "[ . 1 . 2]" 1
303 1 44 ILE MG 1 47 GLY H 3.128 . 4.351 3.506 2.578 4.795 0.444 10 0 "[ . 1 . 2]" 1
304 1 44 ILE MG 1 47 GLY HA2 2.895 . 3.943 3.004 2.435 3.754 . 0 0 "[ . 1 . 2]" 1
305 1 44 ILE MG 1 48 LYS H 3.141 2.810 4.190 2.915 2.700 3.218 0.110 20 0 "[ . 1 . 2]" 1
306 1 44 ILE MG 1 49 GLN HA 3.511 2.452 4.570 3.264 2.391 4.124 0.061 8 0 "[ . 1 . 2]" 1
307 1 45 PHE H 1 45 PHE HB2 3.871 . 5.744 3.357 3.208 3.477 . 0 0 "[ . 1 . 2]" 1
308 1 45 PHE H 1 45 PHE HB3 3.249 . 4.569 2.739 2.492 2.901 . 0 0 "[ . 1 . 2]" 1
309 1 45 PHE H 1 48 LYS H 3.546 . 5.118 2.853 2.251 3.456 . 0 0 "[ . 1 . 2]" 1
310 1 45 PHE H 1 49 GLN HA 3.197 . 4.474 3.810 3.195 4.209 . 0 0 "[ . 1 . 2]" 1
311 1 45 PHE H 1 50 LEU MD2 3.617 . 4.751 3.364 2.732 3.790 . 0 0 "[ . 1 . 2]" 1
312 1 45 PHE HA 1 46 ALA H 3.106 . 4.312 2.234 2.203 2.263 . 0 0 "[ . 1 . 2]" 1
313 1 45 PHE HB2 1 45 PHE HD1 3.359 . 4.769 2.529 2.446 2.657 . 0 0 "[ . 1 . 2]" 1
314 1 45 PHE HB2 1 50 LEU MD1 3.275 . 4.616 3.111 2.466 3.709 . 0 0 "[ . 1 . 2]" 1
315 1 45 PHE HB2 1 50 LEU MD2 . 2.081 3.523 2.930 2.285 3.416 . 0 0 "[ . 1 . 2]" 1
316 1 45 PHE HB2 1 61 ILE MD 3.940 . 5.880 4.050 3.309 4.528 . 0 0 "[ . 1 . 2]" 1
317 1 45 PHE HB3 1 45 PHE HD1 3.317 . 4.692 3.721 3.682 3.761 . 0 0 "[ . 1 . 2]" 1
318 1 45 PHE HB3 1 50 LEU MD1 3.487 . 3.616 3.524 3.103 3.775 0.159 2 0 "[ . 1 . 2]" 1
319 1 45 PHE HB3 1 50 LEU MD2 2.928 . 3.999 2.301 2.173 2.495 . 0 0 "[ . 1 . 2]" 1
320 1 45 PHE HB3 1 61 ILE MD 3.690 . 5.392 4.104 3.745 4.880 . 0 0 "[ . 1 . 2]" 1
321 1 45 PHE HD1 1 61 ILE MD 3.396 . 4.838 4.400 3.546 4.906 0.068 15 0 "[ . 1 . 2]" 1
322 1 45 PHE HD1 1 67 LEU MD1 3.383 . 4.813 2.794 2.280 4.400 . 0 0 "[ . 1 . 2]" 1
323 1 45 PHE HE1 1 61 ILE MD 4.031 . 6.062 4.684 3.989 5.219 . 0 0 "[ . 1 . 2]" 1
324 1 45 PHE HE1 1 61 ILE MG 3.297 . 4.656 3.239 2.449 4.047 . 0 0 "[ . 1 . 2]" 1
325 1 46 ALA H 1 46 ALA MB 3.636 . 5.289 2.874 2.832 2.951 . 0 0 "[ . 1 . 2]" 1
326 1 46 ALA HA 1 46 ALA MB 2.263 . 2.903 2.148 2.137 2.154 . 0 0 "[ . 1 . 2]" 1
327 1 46 ALA HA 1 47 GLY H 3.013 . 4.148 3.301 3.165 3.399 . 0 0 "[ . 1 . 2]" 1
328 1 46 ALA MB 1 47 GLY H 3.290 . 4.643 2.716 1.786 3.452 0.151 17 0 "[ . 1 . 2]" 1
329 1 47 GLY H 1 47 GLY HA3 2.929 . 4.002 2.791 2.475 2.997 . 0 0 "[ . 1 . 2]" 1
330 1 48 LYS H 1 48 LYS HB2 2.810 . 3.797 2.635 2.462 2.832 . 0 0 "[ . 1 . 2]" 1
331 1 48 LYS HA 1 48 LYS HB2 2.892 . 3.938 3.038 3.027 3.048 . 0 0 "[ . 1 . 2]" 1
332 1 48 LYS HA 1 48 LYS HG2 3.366 . 4.782 3.464 3.045 3.593 . 0 0 "[ . 1 . 2]" 1
333 1 48 LYS HA 1 48 LYS QG 2.277 . 2.925 2.282 2.157 2.935 0.010 10 0 "[ . 1 . 2]" 1
334 1 48 LYS HA 1 49 GLN H 2.465 . 3.224 2.236 2.130 2.557 . 0 0 "[ . 1 . 2]" 1
335 1 48 LYS HB2 1 50 LEU MD2 3.352 . 4.757 3.884 3.574 4.461 . 0 0 "[ . 1 . 2]" 1
336 1 48 LYS HB2 1 59 TYR HE1 3.819 2.442 5.196 5.525 5.463 5.623 0.427 18 0 "[ . 1 . 2]" 1
337 1 48 LYS HG3 1 49 GLN H 2.551 . 3.364 3.814 3.554 4.202 0.838 10 3 "[ - + . * 2]" 1
338 1 49 GLN H 1 49 GLN HA 2.105 . 2.659 2.942 2.895 2.987 0.328 10 0 "[ . 1 . 2]" 1
339 1 49 GLN H 1 49 GLN HB2 2.641 . 3.513 2.641 2.475 2.770 . 0 0 "[ . 1 . 2]" 1
340 1 49 GLN HA 1 49 GLN HB2 2.160 . 2.743 2.864 2.459 3.011 0.268 18 0 "[ . 1 . 2]" 1
341 1 49 GLN HA 1 49 GLN HG2 2.176 . 2.768 2.636 2.502 2.915 0.147 15 0 "[ . 1 . 2]" 1
342 1 49 GLN HA 1 50 LEU H 2.626 . 3.115 2.188 2.123 2.368 . 0 0 "[ . 1 . 2]" 1
343 1 49 GLN HB2 1 50 LEU H 2.935 . 4.012 4.203 3.610 4.379 0.367 15 0 "[ . 1 . 2]" 1
344 1 49 GLN HG2 1 50 LEU H 3.235 . 4.543 4.262 3.071 4.746 0.203 4 0 "[ . 1 . 2]" 1
345 1 50 LEU H 1 50 LEU HB2 2.561 . 3.381 2.650 2.252 2.786 . 0 0 "[ . 1 . 2]" 1
346 1 50 LEU H 1 50 LEU HB3 2.800 . 3.600 3.603 3.561 3.641 0.041 18 0 "[ . 1 . 2]" 1
347 1 50 LEU H 1 50 LEU MD1 3.316 . 4.690 3.549 3.450 3.969 . 0 0 "[ . 1 . 2]" 1
348 1 50 LEU H 1 50 LEU MD2 3.514 . 4.518 2.782 2.057 3.566 . 0 0 "[ . 1 . 2]" 1
349 1 50 LEU HA 1 50 LEU MD1 3.757 . 5.522 3.725 2.170 3.851 . 0 0 "[ . 1 . 2]" 1
350 1 50 LEU HA 1 50 LEU MD2 2.921 . 3.988 2.122 2.087 2.342 . 0 0 "[ . 1 . 2]" 1
351 1 50 LEU HA 1 51 GLU H 2.796 . 3.210 2.200 2.162 2.255 . 0 0 "[ . 1 . 2]" 1
352 1 50 LEU HB2 1 50 LEU MD1 2.427 . 3.163 2.409 2.306 3.220 0.057 17 0 "[ . 1 . 2]" 1
353 1 50 LEU HB2 1 50 LEU MD2 2.789 . 3.761 3.166 2.362 3.217 . 0 0 "[ . 1 . 2]" 1
354 1 50 LEU HB2 1 59 TYR HE1 3.819 . 5.642 5.113 4.882 5.447 . 0 0 "[ . 1 . 2]" 1
355 1 50 LEU HB3 1 50 LEU MD2 3.057 . 4.225 2.376 2.264 3.198 . 0 0 "[ . 1 . 2]" 1
356 1 50 LEU MD1 1 50 LEU MD2 2.648 . 3.525 2.065 2.011 2.089 . 0 0 "[ . 1 . 2]" 1
357 1 50 LEU MD1 1 59 TYR HD1 4.084 . 6.169 4.466 2.414 4.806 . 0 0 "[ . 1 . 2]" 1
358 1 50 LEU MD1 1 59 TYR HE1 3.592 . 5.205 4.418 2.283 4.703 . 0 0 "[ . 1 . 2]" 1
359 1 50 LEU MD2 1 51 GLU H 3.937 . 5.875 3.811 3.628 4.272 . 0 0 "[ . 1 . 2]" 1
360 1 50 LEU MD2 1 59 TYR HB2 3.896 . 5.793 4.112 3.760 5.223 . 0 0 "[ . 1 . 2]" 1
361 1 50 LEU MD2 1 59 TYR HB3 3.928 . 5.857 4.275 4.022 5.210 . 0 0 "[ . 1 . 2]" 1
362 1 50 LEU MD2 1 59 TYR HD1 3.343 . 4.740 2.937 2.553 4.257 . 0 0 "[ . 1 . 2]" 1
363 1 50 LEU MD2 1 59 TYR HE1 3.725 . 5.459 2.432 2.214 3.603 . 0 0 "[ . 1 . 2]" 1
364 1 51 GLU H 1 51 GLU HB2 2.967 . 4.067 2.583 2.373 3.079 . 0 0 "[ . 1 . 2]" 1
365 1 51 GLU H 1 51 GLU HG2 3.023 . 4.165 3.303 2.164 4.340 0.175 17 0 "[ . 1 . 2]" 1
366 1 51 GLU H 1 59 TYR HE1 3.905 . 5.811 3.159 2.748 3.762 . 0 0 "[ . 1 . 2]" 1
367 1 51 GLU HA 1 52 ASP H 2.358 . 3.053 2.345 2.190 2.526 . 0 0 "[ . 1 . 2]" 1
368 1 52 ASP H 1 52 ASP HA 2.414 . 3.143 2.896 2.827 2.979 . 0 0 "[ . 1 . 2]" 1
369 1 53 GLY HA3 1 54 ARG H 3.394 . 4.834 3.266 3.122 3.428 . 0 0 "[ . 1 . 2]" 1
370 1 54 ARG H 1 54 ARG HB2 2.851 . 3.867 2.561 2.311 2.893 . 0 0 "[ . 1 . 2]" 1
371 1 54 ARG H 1 54 ARG HG2 3.102 . 4.305 3.402 1.882 4.454 0.149 1 0 "[ . 1 . 2]" 1
372 1 54 ARG HA 1 55 THR H 2.794 . 3.770 2.446 2.249 2.594 . 0 0 "[ . 1 . 2]" 1
373 1 54 ARG HB2 1 55 THR H 2.901 . 3.953 3.620 2.938 4.028 0.075 1 0 "[ . 1 . 2]" 1
374 1 54 ARG HB2 1 59 TYR HE1 3.217 . 4.511 3.742 3.025 4.632 0.121 1 0 "[ . 1 . 2]" 1
375 1 54 ARG HD2 1 59 TYR HE1 3.940 . 5.881 5.126 3.771 6.117 0.236 6 0 "[ . 1 . 2]" 1
376 1 55 THR H 1 55 THR MG 3.155 . 4.399 3.022 2.299 3.903 . 0 0 "[ . 1 . 2]" 1
377 1 55 THR H 1 58 ASP HB2 3.176 . 4.437 2.729 2.269 3.295 . 0 0 "[ . 1 . 2]" 1
378 1 55 THR HA 1 56 LEU H 2.996 . 4.118 2.284 2.234 2.328 . 0 0 "[ . 1 . 2]" 1
379 1 55 THR HB 1 55 THR MG 2.768 . 3.726 2.144 2.136 2.152 . 0 0 "[ . 1 . 2]" 1
380 1 55 THR HB 1 56 LEU H 2.939 . 4.019 3.138 2.726 3.882 . 0 0 "[ . 1 . 2]" 1
381 1 56 LEU H 1 56 LEU HB2 3.183 . 4.450 2.269 2.164 2.390 . 0 0 "[ . 1 . 2]" 1
382 1 56 LEU H 1 56 LEU HB3 3.065 . 4.240 3.488 2.745 3.622 . 0 0 "[ . 1 . 2]" 1
383 1 56 LEU H 1 56 LEU MD1 3.205 . 4.489 2.424 1.877 3.882 0.044 16 0 "[ . 1 . 2]" 1
384 1 56 LEU H 1 56 LEU HG 3.575 2.542 4.608 3.717 2.488 4.504 0.054 1 0 "[ . 1 . 2]" 1
385 1 56 LEU H 1 57 SER H 3.033 . 4.183 2.786 2.739 2.821 . 0 0 "[ . 1 . 2]" 1
386 1 56 LEU HA 1 61 ILE HB 3.835 . 5.674 4.829 4.421 5.492 . 0 0 "[ . 1 . 2]" 1
387 1 56 LEU HA 1 61 ILE MD 3.411 . 4.866 2.610 2.257 3.304 . 0 0 "[ . 1 . 2]" 1
388 1 56 LEU HB2 1 57 SER H 3.304 . 4.668 2.951 2.669 3.933 . 0 0 "[ . 1 . 2]" 1
389 1 56 LEU HB2 1 61 ILE MD 2.936 . 4.014 3.748 3.546 4.215 0.201 9 0 "[ . 1 . 2]" 1
390 1 56 LEU HB3 1 61 ILE MG 3.403 . 4.851 4.170 3.636 4.945 0.094 5 0 "[ . 1 . 2]" 1
391 1 57 SER H 1 57 SER HB2 3.251 . 4.572 2.917 2.447 3.632 . 0 0 "[ . 1 . 2]" 1
392 1 57 SER H 1 57 SER HB3 2.792 . 3.766 2.825 2.396 3.626 . 0 0 "[ . 1 . 2]" 1
393 1 57 SER HB3 1 58 ASP H 3.383 . 4.813 3.608 2.736 4.129 . 0 0 "[ . 1 . 2]" 1
394 1 58 ASP H 1 58 ASP HB2 2.902 . 3.955 2.474 2.375 2.567 . 0 0 "[ . 1 . 2]" 1
395 1 58 ASP H 1 58 ASP HB3 3.092 . 4.287 2.836 2.588 3.654 . 0 0 "[ . 1 . 2]" 1
396 1 58 ASP H 1 59 TYR HD1 3.174 . 4.434 4.633 4.558 4.702 0.268 3 0 "[ . 1 . 2]" 1
397 1 58 ASP HA 1 59 TYR H 3.337 . 4.729 3.434 3.422 3.457 . 0 0 "[ . 1 . 2]" 1
398 1 58 ASP HB2 1 59 TYR H 3.551 . 5.127 3.943 3.095 4.192 . 0 0 "[ . 1 . 2]" 1
399 1 59 TYR H 1 59 TYR HB2 3.424 . 4.890 2.316 2.286 2.358 . 0 0 "[ . 1 . 2]" 1
400 1 59 TYR H 1 59 TYR HB3 3.039 . 4.193 3.586 3.551 3.616 . 0 0 "[ . 1 . 2]" 1
401 1 59 TYR HA 1 60 ASN H 3.237 . 4.547 3.285 3.210 3.447 . 0 0 "[ . 1 . 2]" 1
402 1 59 TYR HB2 1 59 TYR HD1 3.077 . 4.261 2.350 2.340 2.383 . 0 0 "[ . 1 . 2]" 1
403 1 59 TYR HB2 1 61 ILE MD 3.370 . 4.790 2.634 2.212 2.905 . 0 0 "[ . 1 . 2]" 1
404 1 59 TYR HB2 1 61 ILE HG12 3.754 . 5.515 3.703 2.877 4.252 . 0 0 "[ . 1 . 2]" 1
405 1 59 TYR HB2 1 61 ILE HG13 3.344 . 4.742 2.385 2.317 2.608 . 0 0 "[ . 1 . 2]" 1
406 1 59 TYR HB3 1 59 TYR HD1 3.196 . 4.473 3.545 3.516 3.606 . 0 0 "[ . 1 . 2]" 1
407 1 59 TYR HB3 1 61 ILE MD 3.367 . 4.784 3.343 2.810 3.655 . 0 0 "[ . 1 . 2]" 1
408 1 60 ASN H 1 60 ASN HA 2.589 . 3.427 2.341 2.329 2.352 . 0 0 "[ . 1 . 2]" 1
409 1 60 ASN H 1 60 ASN HB2 3.576 . 5.175 3.333 2.999 3.648 . 0 0 "[ . 1 . 2]" 1
410 1 60 ASN H 1 61 ILE H 2.807 . 3.792 2.850 2.714 2.967 . 0 0 "[ . 1 . 2]" 1
411 1 60 ASN HA 1 61 ILE H 3.120 . 4.337 2.790 2.724 3.015 . 0 0 "[ . 1 . 2]" 1
412 1 61 ILE H 1 61 ILE HB 2.864 . 3.889 2.379 2.230 2.626 . 0 0 "[ . 1 . 2]" 1
413 1 61 ILE H 1 61 ILE MD 3.444 . 4.927 3.396 3.237 3.523 . 0 0 "[ . 1 . 2]" 1
414 1 61 ILE H 1 61 ILE HG12 3.761 . 5.529 3.701 3.052 3.955 . 0 0 "[ . 1 . 2]" 1
415 1 61 ILE H 1 61 ILE HG13 3.112 . 4.322 2.340 1.866 2.671 0.036 15 0 "[ . 1 . 2]" 1
416 1 61 ILE H 1 61 ILE MG 3.912 . 5.825 3.747 3.689 3.797 . 0 0 "[ . 1 . 2]" 1
417 1 61 ILE HA 1 61 ILE MG 3.184 . 4.451 2.436 2.325 2.693 . 0 0 "[ . 1 . 2]" 1
418 1 61 ILE HB 1 61 ILE MD 3.138 . 4.369 2.304 2.245 2.361 . 0 0 "[ . 1 . 2]" 1
419 1 61 ILE HB 1 61 ILE MG 2.767 . 3.724 2.146 2.142 2.157 . 0 0 "[ . 1 . 2]" 1
420 1 61 ILE MD 1 61 ILE HG12 3.229 . 4.532 2.145 2.129 2.151 . 0 0 "[ . 1 . 2]" 1
421 1 61 ILE MD 1 67 LEU HG 3.484 . 5.001 4.314 3.782 4.598 . 0 0 "[ . 1 . 2]" 1
422 1 61 ILE HG12 1 61 ILE MG 3.317 . 4.692 2.317 2.285 2.393 . 0 0 "[ . 1 . 2]" 1
423 1 61 ILE MG 1 62 GLN HA 3.099 . 4.299 3.527 3.326 3.877 . 0 0 "[ . 1 . 2]" 1
424 1 61 ILE MG 1 63 LYS H 3.922 . 5.845 4.380 4.174 4.721 . 0 0 "[ . 1 . 2]" 1
425 1 62 GLN HA 1 63 LYS H 2.771 . 3.731 2.236 2.188 2.356 . 0 0 "[ . 1 . 2]" 1
426 1 63 LYS H 1 63 LYS HB2 2.688 . 3.591 3.616 3.608 3.621 0.030 2 0 "[ . 1 . 2]" 1
427 1 63 LYS H 1 63 LYS HB3 2.632 . 3.498 2.574 2.516 2.680 . 0 0 "[ . 1 . 2]" 1
428 1 63 LYS H 1 63 LYS HG2 2.974 . 4.079 2.015 1.909 2.107 . 0 0 "[ . 1 . 2]" 1
429 1 63 LYS HA 1 64 GLU H 2.781 . 3.748 2.263 2.225 2.321 . 0 0 "[ . 1 . 2]" 1
430 1 63 LYS HB2 1 64 GLU H 3.210 . 4.498 2.824 2.684 2.953 . 0 0 "[ . 1 . 2]" 1
431 1 64 GLU H 1 64 GLU HA 2.892 . 3.937 2.320 2.315 2.326 . 0 0 "[ . 1 . 2]" 1
432 1 64 GLU H 1 64 GLU HB2 3.234 . 4.541 3.380 3.123 3.753 . 0 0 "[ . 1 . 2]" 1
433 1 67 LEU H 1 67 LEU HB2 3.000 . 4.125 2.315 2.266 2.346 . 0 0 "[ . 1 . 2]" 1
434 1 67 LEU H 1 67 LEU MD1 3.212 . 4.501 2.239 2.027 3.419 . 0 0 "[ . 1 . 2]" 1
435 1 67 LEU HA 1 67 LEU MD1 2.978 . 4.087 2.548 2.304 3.833 . 0 0 "[ . 1 . 2]" 1
436 1 67 LEU HA 1 68 HIS H 2.777 . 3.741 2.317 2.274 2.361 . 0 0 "[ . 1 . 2]" 1
437 1 67 LEU HB2 1 67 LEU MD1 2.264 . 2.904 2.327 2.222 2.410 . 0 0 "[ . 1 . 2]" 1
438 1 67 LEU HB2 1 68 HIS H 3.072 . 4.251 4.059 3.930 4.188 . 0 0 "[ . 1 . 2]" 1
439 1 67 LEU MD1 1 68 HIS H 3.461 . 4.958 4.433 4.240 4.889 . 0 0 "[ . 1 . 2]" 1
440 1 68 HIS H 1 68 HIS HA 2.726 . 3.655 2.983 2.967 3.008 . 0 0 "[ . 1 . 2]" 1
441 1 68 HIS H 1 68 HIS HB2 3.652 . 4.408 2.739 2.656 2.804 . 0 0 "[ . 1 . 2]" 1
442 1 68 HIS H 1 69 LEU H 3.493 . 5.018 4.514 4.466 4.558 . 0 0 "[ . 1 . 2]" 1
443 1 68 HIS HA 1 68 HIS HB3 2.953 . 4.043 2.360 2.338 2.389 . 0 0 "[ . 1 . 2]" 1
444 1 68 HIS HA 1 69 LEU H 2.591 . 3.430 2.210 2.200 2.224 . 0 0 "[ . 1 . 2]" 1
445 1 68 HIS HB2 1 69 LEU HA 3.061 . 4.232 4.592 4.549 4.634 0.402 17 0 "[ . 1 . 2]" 1
446 1 69 LEU H 1 69 LEU HA 2.764 . 3.719 2.998 2.986 3.006 . 0 0 "[ . 1 . 2]" 1
447 1 69 LEU HA 1 69 LEU HB2 2.770 . 3.729 2.528 2.396 2.650 . 0 0 "[ . 1 . 2]" 1
448 1 69 LEU HA 1 69 LEU HB3 2.672 . 3.565 3.029 3.013 3.040 . 0 0 "[ . 1 . 2]" 1
449 1 69 LEU HA 1 69 LEU MD1 3.280 2.314 4.246 3.369 2.148 3.770 0.166 15 0 "[ . 1 . 2]" 1
450 1 69 LEU HA 1 70 VAL H 2.456 . 3.210 2.167 2.140 2.188 . 0 0 "[ . 1 . 2]" 1
451 1 70 VAL H 1 70 VAL HB 3.297 . 4.655 2.637 2.511 3.105 . 0 0 "[ . 1 . 2]" 1
452 1 70 VAL H 1 70 VAL MG2 2.932 . 4.006 2.641 2.449 3.889 . 0 0 "[ . 1 . 2]" 1
453 1 70 VAL H 1 71 LEU MD1 3.082 . 4.269 4.191 3.715 4.350 0.081 18 0 "[ . 1 . 2]" 1
454 1 70 VAL HA 1 70 VAL MG1 3.080 . 4.266 2.349 2.277 3.199 . 0 0 "[ . 1 . 2]" 1
455 1 70 VAL HA 1 70 VAL MG2 3.055 . 4.222 2.389 2.291 2.434 . 0 0 "[ . 1 . 2]" 1
456 1 70 VAL HA 1 71 LEU H 2.728 . 3.658 2.304 2.249 2.334 . 0 0 "[ . 1 . 2]" 1
457 1 71 LEU H 1 71 LEU HB2 2.756 . 3.705 2.380 2.258 2.906 . 0 0 "[ . 1 . 2]" 1
458 1 71 LEU H 1 71 LEU MD1 3.417 . 4.876 2.211 1.913 3.082 0.045 2 0 "[ . 1 . 2]" 1
459 1 71 LEU HA 1 71 LEU MD1 2.654 . 3.534 2.367 2.067 3.531 . 0 0 "[ . 1 . 2]" 1
460 1 71 LEU HA 1 72 ARG H 2.538 . 3.343 2.867 2.133 3.556 0.213 13 0 "[ . 1 . 2]" 1
461 1 71 LEU HB2 1 71 LEU MD1 2.258 . 2.895 2.482 2.214 3.191 0.296 18 0 "[ . 1 . 2]" 1
462 1 71 LEU HB3 1 71 LEU MD1 2.405 . 3.128 3.072 2.382 3.200 0.072 4 0 "[ . 1 . 2]" 1
463 1 71 LEU HB3 1 72 ARG H 2.644 . 3.518 2.591 1.925 3.649 0.131 15 0 "[ . 1 . 2]" 1
464 1 71 LEU MD1 1 72 ARG H 3.052 . 4.217 4.072 3.537 4.409 0.192 12 0 "[ . 1 . 2]" 1
465 1 72 ARG HA 1 73 LEU H 2.845 . 3.857 2.807 2.177 3.624 . 0 0 "[ . 1 . 2]" 1
466 1 73 LEU H 1 73 LEU HB2 2.868 . 3.896 2.861 2.320 4.006 0.110 20 0 "[ . 1 . 2]" 1
467 1 73 LEU H 1 73 LEU MD1 3.136 . 4.365 3.480 1.834 4.623 0.258 6 0 "[ . 1 . 2]" 1
468 1 73 LEU H 1 73 LEU MD2 3.161 . 4.410 3.557 1.804 4.421 0.108 13 0 "[ . 1 . 2]" 1
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