NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563158 |
2lxs   |
18694 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lxs
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 964
_Distance_constraint_stats_list.Viol_count 922
_Distance_constraint_stats_list.Viol_total 6962.136
_Distance_constraint_stats_list.Viol_max 1.911
_Distance_constraint_stats_list.Viol_rms 0.1140
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0181
_Distance_constraint_stats_list.Viol_average_violations_only 0.3776
_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 GLY 7.831 0.910 14 7 "[- * * * 1 * +.* 2]"
1 2 VAL 7.785 0.910 14 7 "[- * * * 1 * +.* 2]"
1 3 ARG 0.053 0.053 1 0 "[ . 1 . 2]"
1 4 LYS 0.301 0.106 9 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 HIS 0.231 0.157 2 0 "[ . 1 . 2]"
1 8 GLU 0.223 0.157 2 0 "[ . 1 . 2]"
1 9 HIS 4.813 0.348 2 0 "[ . 1 . 2]"
1 10 VAL 0.753 0.295 11 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 5.094 0.299 16 0 "[ . 1 . 2]"
1 13 ASP 5.090 0.299 16 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.539 0.397 18 0 "[ . 1 . 2]"
1 17 HIS 0.142 0.142 18 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.147 0.044 7 0 "[ . 1 . 2]"
1 20 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.152 0.084 8 0 "[ . 1 . 2]"
1 23 VAL 0.147 0.044 7 0 "[ . 1 . 2]"
1 24 GLN 3.920 0.369 2 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 8.586 0.443 20 0 "[ . 1 . 2]"
1 27 PHE 8.619 0.443 20 0 "[ . 1 . 2]"
1 28 PRO 1.727 0.096 17 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PRO 2.725 0.163 4 0 "[ . 1 . 2]"
1 31 ASP 12.799 0.376 16 0 "[ . 1 . 2]"
1 32 PRO 5.964 0.376 16 0 "[ . 1 . 2]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 3.864 0.332 10 0 "[ . 1 . 2]"
1 37 ASP 3.597 0.301 11 0 "[ . 1 . 2]"
1 38 ARG 4.548 0.846 5 3 "[ * + 1 - . 2]"
1 39 ARG 17.900 1.078 14 18 [****.-*******+*****2]
1 40 MET 15.875 0.566 3 17 "[**+**-****** **** *]"
1 41 GLU 10.292 0.566 3 17 "[**+**-****** **** *]"
1 42 ASN 39.012 1.078 14 20 [*************+-*****]
1 43 LEU 12.703 0.730 16 18 "[**********- ***+* **]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TYR 69.176 1.911 16 20 [**-************+****]
1 47 ALA 14.488 0.835 9 20 [********+********-**]
1 48 LYS 27.403 1.334 14 20 [**********-**+******]
1 49 LYS 0.002 0.002 11 0 "[ . 1 . 2]"
1 50 VAL 1.380 0.826 6 1 "[ .+ 1 . 2]"
1 51 GLU 16.604 1.222 5 8 "[*** +* * 1 * . -]"
1 52 GLY 13.155 1.222 5 8 "[*** +- * 1 * . *]"
1 53 ASP 1.524 0.826 6 1 "[ .+ 1 . 2]"
1 54 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TYR 0.195 0.077 12 0 "[ . 1 . 2]"
1 56 GLU 23.717 1.175 12 20 [******-****+********]
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASN 13.871 0.733 16 13 "[ * **** *-*** .+ **2]"
1 60 SER 20.919 0.791 11 18 "[-*********+** *****2]"
1 61 ARG 21.459 1.121 4 20 [**-+****************]
1 62 ASP 2.212 0.229 3 0 "[ . 1 . 2]"
1 63 GLU 2.341 0.370 6 0 "[ . 1 . 2]"
1 64 TYR 0.403 0.306 4 0 "[ . 1 . 2]"
1 65 TYR 2.976 0.674 1 2 "[+- . 1 . 2]"
1 66 HIS 2.397 0.674 1 2 "[+- . 1 . 2]"
1 67 LEU 2.045 0.370 6 0 "[ . 1 . 2]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.291 0.180 13 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 0.038 0.038 8 0 "[ . 1 . 2]"
1 73 TYR 0.661 0.661 14 1 "[ . 1 +. 2]"
1 74 LYS 1.057 0.661 14 1 "[ . 1 +. 2]"
1 75 ILE 1.368 0.665 19 2 "[- . 1 . +2]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.775 0.278 15 0 "[ . 1 . 2]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LYS 17.904 1.062 12 19 "[******** -*+********]"
1 83 ARG 2.325 0.195 4 0 "[ . 1 . 2]"
1 84 ARG 2.325 0.195 4 0 "[ . 1 . 2]"
1 85 SER 7.553 0.467 16 0 "[ . 1 . 2]"
1 86 ARG 0.951 0.237 12 0 "[ . 1 . 2]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 ASP 0.502 0.283 4 0 "[ . 1 . 2]"
2 2 ALA 0.042 0.042 17 0 "[ . 1 . 2]"
2 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 ASN 0.095 0.078 10 0 "[ . 1 . 2]"
2 5 ILE 0.132 0.061 19 0 "[ . 1 . 2]"
2 6 LEU 56.538 1.911 16 20 [-**************+****]
2 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ASP 0.717 0.310 5 0 "[ . 1 . 2]"
2 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 MET 0.053 0.053 5 0 "[ . 1 . 2]"
2 12 ASP 0.199 0.194 6 0 "[ . 1 . 2]"
2 13 PHE 0.091 0.085 20 0 "[ . 1 . 2]"
2 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 LYS 11.875 1.188 14 8 "[ *. *1 +*-* **]"
2 17 ASN 9.652 1.188 14 8 "[ *. *1 +*-* **]"
2 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY H1 1 1 GLY HA2 2.769 2.165 3.373 2.578 2.282 2.938 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY H1 1 1 GLY HA3 2.345 . 2.917 2.712 2.261 2.960 0.043 5 0 "[ . 1 . 2]" 1
3 1 1 GLY HA3 1 2 VAL H 2.105 . 2.627 2.912 2.129 3.537 0.910 14 7 "[- * * * 1 * +.* 2]" 1
4 1 2 VAL HA 1 2 VAL HB 2.546 . 3.191 2.504 2.432 3.000 . 0 0 "[ . 1 . 2]" 1
5 1 2 VAL HA 1 3 ARG H 2.825 2.205 3.445 2.462 2.254 3.498 0.053 1 0 "[ . 1 . 2]" 1
6 1 2 VAL HB 1 3 ARG H 2.390 . 2.991 2.443 1.906 2.850 . 0 0 "[ . 1 . 2]" 1
7 1 2 VAL HB 1 4 LYS H 2.806 2.110 3.502 2.739 2.348 3.395 . 0 0 "[ . 1 . 2]" 1
8 1 3 ARG H 1 3 ARG HA 2.785 2.145 3.425 2.883 2.787 2.946 . 0 0 "[ . 1 . 2]" 1
9 1 3 ARG H 1 3 ARG QB 2.559 . 3.199 2.668 2.382 2.884 . 0 0 "[ . 1 . 2]" 1
10 1 3 ARG H 1 3 ARG HG2 3.865 3.247 4.483 3.483 3.285 3.659 . 0 0 "[ . 1 . 2]" 1
11 1 3 ARG H 1 3 ARG HG3 2.508 . 3.132 2.161 2.051 2.413 . 0 0 "[ . 1 . 2]" 1
12 1 3 ARG HA 1 3 ARG HG2 4.739 4.106 5.372 4.263 4.248 4.283 . 0 0 "[ . 1 . 2]" 1
13 1 3 ARG HA 1 3 ARG HG3 3.559 2.914 4.204 3.705 3.643 3.771 . 0 0 "[ . 1 . 2]" 1
14 1 3 ARG HG2 1 4 LYS H 4.631 3.971 5.291 4.645 4.106 5.052 . 0 0 "[ . 1 . 2]" 1
15 1 3 ARG HG3 1 4 LYS H 2.834 2.180 3.488 3.068 2.572 3.446 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS H 1 4 LYS HB2 3.901 3.147 4.655 3.345 3.124 3.638 0.023 4 0 "[ . 1 . 2]" 1
17 1 4 LYS H 1 4 LYS HB3 2.081 . 2.685 2.417 2.142 2.619 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS HA 1 4 LYS HB2 2.759 2.105 3.413 2.351 2.248 2.428 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS HA 1 4 LYS HB3 3.317 2.641 3.993 2.866 2.535 3.018 0.106 9 0 "[ . 1 . 2]" 1
20 1 4 LYS HA 1 5 GLY H 2.208 . 2.801 2.197 2.068 2.442 . 0 0 "[ . 1 . 2]" 1
21 1 4 LYS HB2 1 5 GLY H 3.894 3.241 4.547 4.049 3.341 4.513 . 0 0 "[ . 1 . 2]" 1
22 1 4 LYS HB2 1 6 TRP HE1 4.058 3.375 4.741 4.543 3.782 4.702 . 0 0 "[ . 1 . 2]" 1
23 1 4 LYS HB3 1 5 GLY H 5.052 4.266 5.838 4.463 4.332 4.650 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLY H 1 5 GLY HA2 2.384 . 2.989 2.772 2.332 2.920 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLY H 1 5 GLY HA3 2.843 2.219 3.467 2.727 2.309 2.935 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLY H 1 6 TRP H 2.479 . 3.116 2.801 2.336 2.963 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLY H 1 7 HIS H 5.201 4.450 5.952 5.193 4.738 5.549 . 0 0 "[ . 1 . 2]" 1
28 1 5 GLY HA3 1 6 TRP H 3.708 2.974 4.442 3.529 3.487 3.561 . 0 0 "[ . 1 . 2]" 1
29 1 5 GLY HA3 1 7 HIS H 5.286 4.448 6.124 5.091 4.499 5.557 . 0 0 "[ . 1 . 2]" 1
30 1 6 TRP H 1 6 TRP HA 2.812 2.146 3.478 2.881 2.754 2.931 . 0 0 "[ . 1 . 2]" 1
31 1 6 TRP H 1 6 TRP HB2 2.816 2.165 3.467 3.059 2.551 3.296 . 0 0 "[ . 1 . 2]" 1
32 1 6 TRP H 1 6 TRP HD1 3.652 2.994 4.310 3.868 3.628 4.140 . 0 0 "[ . 1 . 2]" 1
33 1 6 TRP H 1 6 TRP HE1 4.109 3.481 4.737 4.580 4.369 4.704 . 0 0 "[ . 1 . 2]" 1
34 1 6 TRP H 1 7 HIS H 2.262 . 2.875 2.505 2.166 2.828 . 0 0 "[ . 1 . 2]" 1
35 1 6 TRP HA 1 7 HIS H 4.119 3.404 4.834 3.542 3.512 3.565 . 0 0 "[ . 1 . 2]" 1
36 1 6 TRP HA 1 8 GLU H 3.820 3.096 4.544 4.094 3.764 4.349 . 0 0 "[ . 1 . 2]" 1
37 1 6 TRP HB2 1 6 TRP HE1 5.179 4.367 5.991 5.205 5.150 5.269 . 0 0 "[ . 1 . 2]" 1
38 1 6 TRP HB2 1 7 HIS H 2.580 . 3.200 2.499 2.092 2.899 . 0 0 "[ . 1 . 2]" 1
39 1 6 TRP HB3 1 6 TRP HE1 5.109 4.323 5.895 4.788 4.727 4.873 . 0 0 "[ . 1 . 2]" 1
40 1 7 HIS H 1 7 HIS HA 2.678 2.019 3.337 2.893 2.806 2.926 . 0 0 "[ . 1 . 2]" 1
41 1 7 HIS H 1 7 HIS HB2 2.125 . 2.702 2.343 2.155 2.432 . 0 0 "[ . 1 . 2]" 1
42 1 7 HIS H 1 7 HIS HB3 4.102 3.396 4.808 3.579 3.353 3.642 0.043 1 0 "[ . 1 . 2]" 1
43 1 7 HIS H 1 7 HIS HD1 3.991 3.264 4.718 3.561 3.374 4.121 . 0 0 "[ . 1 . 2]" 1
44 1 7 HIS H 1 8 GLU H 2.321 . 2.954 2.561 2.358 2.795 . 0 0 "[ . 1 . 2]" 1
45 1 7 HIS H 1 8 GLU QB 4.452 3.688 5.216 4.372 3.907 4.777 . 0 0 "[ . 1 . 2]" 1
46 1 7 HIS H 1 8 GLU QG 4.927 4.037 5.817 4.195 3.880 4.627 0.157 2 0 "[ . 1 . 2]" 1
47 1 7 HIS HA 1 7 HIS HB3 2.781 2.126 3.436 2.597 2.490 2.826 . 0 0 "[ . 1 . 2]" 1
48 1 7 HIS HA 1 8 GLU H 3.283 2.629 3.937 3.261 3.152 3.478 . 0 0 "[ . 1 . 2]" 1
49 1 7 HIS HA 1 10 VAL H 4.015 3.283 4.747 4.094 3.526 4.580 . 0 0 "[ . 1 . 2]" 1
50 1 7 HIS HA 1 10 VAL HB 3.919 3.092 4.746 3.866 3.256 4.550 . 0 0 "[ . 1 . 2]" 1
51 1 7 HIS HB2 1 8 GLU H 4.179 3.320 5.038 3.720 3.309 3.875 0.011 7 0 "[ . 1 . 2]" 1
52 1 7 HIS HB3 1 8 GLU H 4.428 3.560 5.296 4.170 3.814 4.362 . 0 0 "[ . 1 . 2]" 1
53 1 7 HIS HD2 1 10 VAL MG1 3.975 3.214 4.736 4.384 3.387 4.640 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLU H 1 8 GLU HA 2.824 2.206 3.442 2.795 2.701 2.904 . 0 0 "[ . 1 . 2]" 1
55 1 8 GLU H 1 8 GLU QB 2.198 . 2.751 2.504 2.449 2.587 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLU H 1 8 GLU QG 2.437 . 3.051 2.139 1.787 2.439 0.036 2 0 "[ . 1 . 2]" 1
57 1 8 GLU H 1 9 HIS H 2.838 2.210 3.466 2.763 2.408 3.035 . 0 0 "[ . 1 . 2]" 1
58 1 8 GLU HA 1 8 GLU QB 2.672 2.069 3.275 2.163 2.149 2.173 . 0 0 "[ . 1 . 2]" 1
59 1 8 GLU HA 1 8 GLU QG 3.674 3.039 4.309 3.395 3.324 3.507 . 0 0 "[ . 1 . 2]" 1
60 1 8 GLU HA 1 9 HIS H 3.708 3.076 4.340 3.524 3.393 3.594 . 0 0 "[ . 1 . 2]" 1
61 1 8 GLU HA 1 10 VAL H 3.593 2.862 4.324 3.540 3.140 4.229 . 0 0 "[ . 1 . 2]" 1
62 1 8 GLU QB 1 8 GLU QG 2.437 . 3.031 2.042 1.980 2.086 . 0 0 "[ . 1 . 2]" 1
63 1 9 HIS H 1 9 HIS HA 3.019 2.328 3.710 2.852 2.740 2.938 . 0 0 "[ . 1 . 2]" 1
64 1 9 HIS H 1 9 HIS HB2 3.052 2.437 3.667 3.679 3.606 3.898 0.231 4 0 "[ . 1 . 2]" 1
65 1 9 HIS H 1 9 HIS HB3 3.576 2.901 4.251 2.835 2.553 3.378 0.348 2 0 "[ . 1 . 2]" 1
66 1 9 HIS H 1 10 VAL MG2 4.238 3.530 4.946 4.041 3.602 4.742 . 0 0 "[ . 1 . 2]" 1
67 1 9 HIS HA 1 10 VAL H 3.231 2.538 3.924 3.088 2.825 3.402 . 0 0 "[ . 1 . 2]" 1
68 1 9 HIS HB2 1 10 VAL MG2 4.536 3.812 5.260 4.050 3.517 4.431 0.295 11 0 "[ . 1 . 2]" 1
69 1 9 HIS HB3 1 10 VAL H 4.425 3.703 5.147 4.560 4.394 4.660 . 0 0 "[ . 1 . 2]" 1
70 1 10 VAL H 1 10 VAL HA 2.825 2.154 3.496 2.935 2.922 2.948 . 0 0 "[ . 1 . 2]" 1
71 1 10 VAL H 1 10 VAL HB 2.578 . 3.198 2.733 2.597 2.910 . 0 0 "[ . 1 . 2]" 1
72 1 10 VAL H 1 10 VAL MG2 2.788 2.175 3.401 2.994 2.668 3.203 . 0 0 "[ . 1 . 2]" 1
73 1 10 VAL HA 1 10 VAL HB 3.141 2.445 3.837 3.022 3.011 3.034 . 0 0 "[ . 1 . 2]" 1
74 1 10 VAL HA 1 10 VAL MG1 2.355 . 2.990 2.446 2.333 2.535 . 0 0 "[ . 1 . 2]" 1
75 1 10 VAL HA 1 10 VAL MG2 2.310 . 2.948 2.385 2.296 2.584 . 0 0 "[ . 1 . 2]" 1
76 1 10 VAL HA 1 11 THR H 2.172 . 2.736 2.195 2.131 2.233 . 0 0 "[ . 1 . 2]" 1
77 1 10 VAL HA 1 14 LEU MD2 2.745 2.050 3.440 3.006 2.638 3.162 . 0 0 "[ . 1 . 2]" 1
78 1 10 VAL HB 1 10 VAL MG2 1.967 . 2.570 2.126 2.123 2.129 . 0 0 "[ . 1 . 2]" 1
79 1 10 VAL HB 1 55 TYR QE 4.722 3.928 5.516 4.145 3.992 4.821 . 0 0 "[ . 1 . 2]" 1
80 1 10 VAL MG1 1 11 THR H 2.302 . 2.935 2.587 2.441 2.664 . 0 0 "[ . 1 . 2]" 1
81 1 10 VAL MG1 1 14 LEU H 3.872 3.182 4.562 4.194 4.055 4.344 . 0 0 "[ . 1 . 2]" 1
82 1 10 VAL MG1 1 14 LEU HB3 1.922 . 2.526 2.360 2.252 2.430 . 0 0 "[ . 1 . 2]" 1
83 1 10 VAL MG1 1 14 LEU MD2 2.500 . 4.000 1.902 1.792 2.010 . 0 0 "[ . 1 . 2]" 1
84 1 10 VAL MG1 1 15 ARG H 3.489 2.762 4.216 3.520 3.241 3.745 . 0 0 "[ . 1 . 2]" 1
85 1 10 VAL MG2 1 14 LEU MD2 3.000 . 4.500 2.748 2.277 3.519 . 0 0 "[ . 1 . 2]" 1
86 1 10 VAL MG2 1 55 TYR QE 3.690 3.003 4.377 4.049 3.173 4.263 . 0 0 "[ . 1 . 2]" 1
87 1 10 VAL MG2 1 61 ARG HD2 3.351 2.639 4.063 2.971 2.763 3.623 . 0 0 "[ . 1 . 2]" 1
88 1 10 VAL MG2 1 61 ARG HD3 3.451 2.709 4.193 3.186 2.855 3.649 . 0 0 "[ . 1 . 2]" 1
89 1 11 THR H 1 11 THR MG 1.947 . 2.523 1.836 1.781 1.938 . 0 0 "[ . 1 . 2]" 1
90 1 11 THR H 1 12 GLN H 4.344 3.595 5.093 4.579 4.547 4.601 . 0 0 "[ . 1 . 2]" 1
91 1 11 THR H 1 14 LEU HB2 2.548 . 3.155 2.975 2.815 3.050 . 0 0 "[ . 1 . 2]" 1
92 1 11 THR H 1 14 LEU HB3 2.934 2.328 3.540 3.316 3.160 3.410 . 0 0 "[ . 1 . 2]" 1
93 1 11 THR MG 1 12 GLN H 3.549 2.850 4.248 3.708 3.426 3.847 . 0 0 "[ . 1 . 2]" 1
94 1 11 THR MG 1 13 ASP H 3.210 2.533 3.887 3.086 2.853 3.205 . 0 0 "[ . 1 . 2]" 1
95 1 11 THR MG 1 13 ASP QB 3.196 2.492 3.900 2.596 2.530 2.645 . 0 0 "[ . 1 . 2]" 1
96 1 12 GLN H 1 12 GLN HA 2.847 2.154 3.540 2.820 2.783 2.833 . 0 0 "[ . 1 . 2]" 1
97 1 12 GLN H 1 12 GLN HB2 2.421 . 3.001 2.508 2.455 2.660 . 0 0 "[ . 1 . 2]" 1
98 1 12 GLN H 1 12 GLN HB3 2.611 . 3.310 2.527 2.394 2.601 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLN H 1 12 GLN QG 4.137 3.446 4.828 4.022 3.963 4.051 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLN H 1 13 ASP H 2.497 . 3.126 2.566 2.518 2.672 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLN H 1 13 ASP QB 5.390 4.579 6.201 4.325 4.280 4.389 0.299 16 0 "[ . 1 . 2]" 1
102 1 12 GLN H 1 14 LEU H 4.008 3.257 4.759 4.194 4.104 4.254 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLN HA 1 12 GLN HB2 2.364 . 2.960 2.474 2.407 2.507 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLN HA 1 12 GLN QG 3.077 2.413 3.741 2.922 2.408 3.077 0.005 2 0 "[ . 1 . 2]" 1
105 1 12 GLN HA 1 13 ASP H 3.546 2.818 4.274 3.494 3.480 3.517 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLN HB2 1 13 ASP H 4.254 3.536 4.972 3.835 3.754 3.916 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLN HB3 1 13 ASP H 2.952 2.249 3.655 2.605 2.496 2.666 . 0 0 "[ . 1 . 2]" 1
108 1 12 GLN HE22 1 12 GLN QG 3.781 3.108 4.454 3.318 3.206 3.494 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLN QG 1 13 ASP H 3.464 2.777 4.151 3.696 3.400 3.781 . 0 0 "[ . 1 . 2]" 1
110 1 13 ASP H 1 13 ASP QB 2.408 . 2.976 2.276 2.247 2.297 . 0 0 "[ . 1 . 2]" 1
111 1 13 ASP H 1 14 LEU H 2.430 . 3.070 2.765 2.724 2.786 . 0 0 "[ . 1 . 2]" 1
112 1 13 ASP HA 1 13 ASP QB 2.787 2.207 3.367 2.349 2.323 2.376 . 0 0 "[ . 1 . 2]" 1
113 1 13 ASP QB 1 14 LEU H 2.472 . 3.143 2.622 2.547 2.712 . 0 0 "[ . 1 . 2]" 1
114 1 14 LEU H 1 14 LEU HA 2.700 2.032 3.368 2.765 2.744 2.789 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU H 1 14 LEU HB2 1.999 . 2.637 2.304 2.256 2.344 . 0 0 "[ . 1 . 2]" 1
116 1 14 LEU H 1 14 LEU HB3 2.778 2.162 3.394 2.739 2.697 2.783 . 0 0 "[ . 1 . 2]" 1
117 1 14 LEU H 1 14 LEU MD1 3.242 2.626 3.858 3.802 3.745 3.847 . 0 0 "[ . 1 . 2]" 1
118 1 14 LEU H 1 14 LEU HG 4.405 3.687 5.123 4.534 4.505 4.555 . 0 0 "[ . 1 . 2]" 1
119 1 14 LEU HA 1 14 LEU HB2 2.875 2.211 3.539 2.558 2.531 2.600 . 0 0 "[ . 1 . 2]" 1
120 1 14 LEU HA 1 14 LEU HB3 2.997 2.382 3.612 3.023 3.012 3.033 . 0 0 "[ . 1 . 2]" 1
121 1 14 LEU HA 1 14 LEU MD1 2.191 . 2.787 1.960 1.916 2.027 . 0 0 "[ . 1 . 2]" 1
122 1 14 LEU HA 1 14 LEU MD2 3.529 2.912 4.146 3.843 3.816 3.859 . 0 0 "[ . 1 . 2]" 1
123 1 14 LEU HA 1 14 LEU HG 3.049 2.369 3.729 2.928 2.818 3.035 . 0 0 "[ . 1 . 2]" 1
124 1 14 LEU HB2 1 14 LEU MD2 2.079 . 2.704 2.395 2.338 2.442 . 0 0 "[ . 1 . 2]" 1
125 1 14 LEU HB3 1 14 LEU MD1 2.790 2.131 3.449 3.176 3.166 3.183 . 0 0 "[ . 1 . 2]" 1
126 1 14 LEU MD1 1 14 LEU HG 1.852 . 2.403 2.120 2.118 2.122 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU MD1 1 15 ARG H 4.528 3.744 5.312 4.531 4.457 4.627 . 0 0 "[ . 1 . 2]" 1
128 1 14 LEU MD1 1 18 LEU MD2 3.000 . 4.500 3.442 2.865 4.048 . 0 0 "[ . 1 . 2]" 1
129 1 14 LEU MD2 1 61 ARG HD2 3.585 2.897 4.273 4.001 3.333 4.175 . 0 0 "[ . 1 . 2]" 1
130 1 14 LEU MD2 1 64 TYR QE 3.188 2.579 3.797 3.039 2.752 3.456 . 0 0 "[ . 1 . 2]" 1
131 1 15 ARG H 1 15 ARG QB 2.682 . 3.381 2.436 2.323 2.534 . 0 0 "[ . 1 . 2]" 1
132 1 15 ARG H 1 15 ARG QG 2.487 . 3.162 2.267 1.996 2.562 . 0 0 "[ . 1 . 2]" 1
133 1 15 ARG H 1 16 SER H 2.683 2.018 3.348 2.749 2.674 2.930 . 0 0 "[ . 1 . 2]" 1
134 1 15 ARG HA 1 16 SER H 3.425 2.783 4.067 3.563 3.549 3.583 . 0 0 "[ . 1 . 2]" 1
135 1 15 ARG QB 1 16 SER H 2.664 2.051 3.277 2.483 2.372 2.675 . 0 0 "[ . 1 . 2]" 1
136 1 15 ARG QG 1 16 SER H 4.141 3.511 4.771 4.059 3.895 4.270 . 0 0 "[ . 1 . 2]" 1
137 1 16 SER H 1 16 SER HB3 2.651 2.077 3.225 2.771 2.666 3.622 0.397 18 0 "[ . 1 . 2]" 1
138 1 16 SER H 1 17 HIS H 2.658 2.035 3.281 2.628 2.558 2.743 . 0 0 "[ . 1 . 2]" 1
139 1 16 SER HB2 1 17 HIS H 4.143 3.447 4.839 3.598 3.305 3.641 0.142 18 0 "[ . 1 . 2]" 1
140 1 16 SER HB3 1 17 HIS H 4.151 3.514 4.788 4.028 3.944 4.100 . 0 0 "[ . 1 . 2]" 1
141 1 17 HIS H 1 17 HIS HA 2.681 2.036 3.326 2.796 2.780 2.847 . 0 0 "[ . 1 . 2]" 1
142 1 17 HIS H 1 17 HIS HB2 2.283 . 2.854 2.326 2.167 2.439 . 0 0 "[ . 1 . 2]" 1
143 1 17 HIS H 1 17 HIS HB3 3.280 2.679 3.881 2.821 2.734 3.453 . 0 0 "[ . 1 . 2]" 1
144 1 17 HIS H 1 18 LEU H 2.568 . 3.178 2.744 2.550 2.813 . 0 0 "[ . 1 . 2]" 1
145 1 17 HIS H 1 18 LEU HB2 4.629 3.864 5.394 4.958 4.766 5.055 . 0 0 "[ . 1 . 2]" 1
146 1 17 HIS HA 1 17 HIS HB2 2.844 2.223 3.465 2.592 2.523 2.933 . 0 0 "[ . 1 . 2]" 1
147 1 17 HIS HA 1 17 HIS HB3 3.150 2.453 3.847 3.003 2.749 3.031 . 0 0 "[ . 1 . 2]" 1
148 1 17 HIS HA 1 18 LEU H 3.481 2.797 4.165 3.534 3.516 3.550 . 0 0 "[ . 1 . 2]" 1
149 1 17 HIS HA 1 20 HIS H 4.001 3.312 4.690 3.701 3.571 3.820 . 0 0 "[ . 1 . 2]" 1
150 1 17 HIS HA 1 20 HIS HB2 3.852 3.141 4.563 3.268 3.206 3.330 . 0 0 "[ . 1 . 2]" 1
151 1 17 HIS HB2 1 18 LEU H 3.648 3.002 4.294 3.592 3.112 3.741 . 0 0 "[ . 1 . 2]" 1
152 1 18 LEU H 1 18 LEU HA 2.643 . 3.288 2.810 2.792 2.822 . 0 0 "[ . 1 . 2]" 1
153 1 18 LEU H 1 18 LEU HB2 2.539 . 3.204 2.547 2.467 2.606 . 0 0 "[ . 1 . 2]" 1
154 1 18 LEU H 1 18 LEU HB3 3.857 3.230 4.484 3.583 3.566 3.604 . 0 0 "[ . 1 . 2]" 1
155 1 18 LEU H 1 18 LEU MD1 3.417 2.748 4.086 3.448 3.316 3.605 . 0 0 "[ . 1 . 2]" 1
156 1 18 LEU H 1 18 LEU MD2 3.275 2.615 3.935 3.327 3.152 3.568 . 0 0 "[ . 1 . 2]" 1
157 1 18 LEU H 1 18 LEU HG 2.300 . 2.930 2.129 1.965 2.263 . 0 0 "[ . 1 . 2]" 1
158 1 18 LEU HA 1 18 LEU HB2 3.450 2.764 4.136 3.016 3.012 3.022 . 0 0 "[ . 1 . 2]" 1
159 1 18 LEU HA 1 18 LEU HB3 2.798 2.144 3.452 2.439 2.409 2.471 . 0 0 "[ . 1 . 2]" 1
160 1 18 LEU HA 1 18 LEU MD2 2.034 . 2.613 2.107 2.001 2.193 . 0 0 "[ . 1 . 2]" 1
161 1 18 LEU HA 1 19 VAL H 3.101 2.417 3.785 3.519 3.498 3.552 . 0 0 "[ . 1 . 2]" 1
162 1 18 LEU HB2 1 18 LEU MD1 2.335 . 2.978 2.280 2.223 2.337 . 0 0 "[ . 1 . 2]" 1
163 1 18 LEU HB2 1 18 LEU MD2 3.074 2.405 3.743 3.193 3.175 3.204 . 0 0 "[ . 1 . 2]" 1
164 1 18 LEU HB2 1 18 LEU HG 2.909 2.198 3.620 2.533 2.479 2.587 . 0 0 "[ . 1 . 2]" 1
165 1 18 LEU HB2 1 68 LEU MD1 3.063 2.422 3.704 3.134 2.869 3.305 . 0 0 "[ . 1 . 2]" 1
166 1 18 LEU HB2 1 68 LEU MD2 3.126 2.427 3.825 3.617 3.581 3.642 . 0 0 "[ . 1 . 2]" 1
167 1 18 LEU HB3 1 18 LEU MD1 2.750 2.095 3.405 2.474 2.397 2.551 . 0 0 "[ . 1 . 2]" 1
168 1 18 LEU HB3 1 18 LEU MD2 2.157 . 2.753 2.303 2.244 2.364 . 0 0 "[ . 1 . 2]" 1
169 1 18 LEU HB3 1 18 LEU HG 3.445 2.734 4.156 3.015 3.006 3.020 . 0 0 "[ . 1 . 2]" 1
170 1 18 LEU HB3 1 19 VAL H 3.955 3.246 4.664 3.810 3.744 3.870 . 0 0 "[ . 1 . 2]" 1
171 1 18 LEU HB3 1 68 LEU MD1 3.030 2.227 3.833 2.280 2.237 2.304 . 0 0 "[ . 1 . 2]" 1
172 1 18 LEU MD1 1 18 LEU HG 1.859 . 2.459 2.122 2.120 2.124 . 0 0 "[ . 1 . 2]" 1
173 1 18 LEU MD1 1 68 LEU MD1 1.553 . 2.188 1.818 1.744 1.906 . 0 0 "[ . 1 . 2]" 1
174 1 18 LEU MD2 1 18 LEU HG 2.140 . 2.833 2.126 2.124 2.128 . 0 0 "[ . 1 . 2]" 1
175 1 18 LEU MD2 1 65 TYR HA 3.535 2.679 4.391 4.046 3.709 4.207 . 0 0 "[ . 1 . 2]" 1
176 1 18 LEU MD2 1 65 TYR QD 3.870 3.118 4.622 3.554 3.283 4.415 . 0 0 "[ . 1 . 2]" 1
177 1 19 VAL H 1 19 VAL HA 2.881 2.212 3.550 2.822 2.793 2.841 . 0 0 "[ . 1 . 2]" 1
178 1 19 VAL H 1 19 VAL HB 2.368 . 2.980 2.439 2.338 2.512 . 0 0 "[ . 1 . 2]" 1
179 1 19 VAL H 1 19 VAL MG1 3.542 2.941 4.143 3.753 3.715 3.776 . 0 0 "[ . 1 . 2]" 1
180 1 19 VAL H 1 19 VAL MG2 2.480 . 3.101 2.278 2.166 2.493 . 0 0 "[ . 1 . 2]" 1
181 1 19 VAL H 1 20 HIS H 2.827 2.160 3.494 2.667 2.592 2.841 . 0 0 "[ . 1 . 2]" 1
182 1 19 VAL HA 1 19 VAL HB 3.047 2.425 3.669 3.023 3.010 3.026 . 0 0 "[ . 1 . 2]" 1
183 1 19 VAL HA 1 19 VAL MG1 2.404 . 3.030 2.495 2.435 2.579 . 0 0 "[ . 1 . 2]" 1
184 1 19 VAL HA 1 19 VAL MG2 2.195 . 2.768 2.318 2.255 2.362 . 0 0 "[ . 1 . 2]" 1
185 1 19 VAL HA 1 22 LEU H 3.414 2.731 4.097 3.443 3.327 3.602 . 0 0 "[ . 1 . 2]" 1
186 1 19 VAL HA 1 22 LEU HB2 3.090 2.451 3.729 3.273 2.949 3.548 . 0 0 "[ . 1 . 2]" 1
187 1 19 VAL HA 1 22 LEU HB3 3.437 2.722 4.152 3.130 2.900 3.559 . 0 0 "[ . 1 . 2]" 1
188 1 19 VAL HB 1 19 VAL MG1 1.864 . 2.459 2.130 2.128 2.133 . 0 0 "[ . 1 . 2]" 1
189 1 19 VAL HB 1 20 HIS H 2.714 2.035 3.393 2.615 2.467 2.738 . 0 0 "[ . 1 . 2]" 1
190 1 19 VAL MG1 1 20 HIS H 3.196 2.564 3.828 3.242 3.052 3.381 . 0 0 "[ . 1 . 2]" 1
191 1 19 VAL MG1 1 20 HIS HA 3.133 2.436 3.830 3.242 3.070 3.383 . 0 0 "[ . 1 . 2]" 1
192 1 19 VAL MG1 1 23 VAL MG2 4.000 2.500 5.500 2.568 2.456 2.718 0.044 7 0 "[ . 1 . 2]" 1
193 1 19 VAL MG1 1 47 ALA MB 3.000 . 4.500 1.977 1.849 2.097 . 0 0 "[ . 1 . 2]" 1
194 1 19 VAL MG1 1 48 LYS H 3.462 2.771 4.153 3.355 3.151 3.509 . 0 0 "[ . 1 . 2]" 1
195 1 19 VAL MG1 1 48 LYS HA 2.977 2.308 3.646 3.316 3.089 3.400 . 0 0 "[ . 1 . 2]" 1
196 1 19 VAL MG1 1 48 LYS QD 1.851 . 2.438 1.970 1.860 2.116 . 0 0 "[ . 1 . 2]" 1
197 1 19 VAL MG2 1 20 HIS H 3.903 3.244 4.562 3.919 3.836 4.016 . 0 0 "[ . 1 . 2]" 1
198 1 19 VAL MG2 1 48 LYS H 3.829 3.133 4.525 4.363 4.149 4.449 . 0 0 "[ . 1 . 2]" 1
199 1 19 VAL MG2 1 48 LYS HA 2.808 2.134 3.482 2.964 2.735 3.168 . 0 0 "[ . 1 . 2]" 1
200 1 19 VAL MG2 1 51 GLU H 4.027 3.354 4.700 3.739 3.540 3.918 . 0 0 "[ . 1 . 2]" 1
201 1 19 VAL MG2 1 51 GLU HA 4.712 3.942 5.482 4.211 4.021 4.463 . 0 0 "[ . 1 . 2]" 1
202 1 20 HIS H 1 20 HIS HA 3.022 2.338 3.706 2.826 2.804 2.840 . 0 0 "[ . 1 . 2]" 1
203 1 20 HIS H 1 20 HIS HB2 2.447 . 3.031 2.477 2.368 2.619 . 0 0 "[ . 1 . 2]" 1
204 1 20 HIS H 1 20 HIS HB3 4.110 3.496 4.724 3.631 3.603 3.651 . 0 0 "[ . 1 . 2]" 1
205 1 20 HIS H 1 21 LYS H 2.766 2.094 3.438 2.642 2.562 2.726 . 0 0 "[ . 1 . 2]" 1
206 1 20 HIS HA 1 23 VAL H 3.339 2.658 4.020 3.293 3.180 3.404 . 0 0 "[ . 1 . 2]" 1
207 1 20 HIS HA 1 23 VAL HB 2.829 2.210 3.448 2.516 2.377 2.801 . 0 0 "[ . 1 . 2]" 1
208 1 20 HIS HA 1 23 VAL MG2 2.866 2.261 3.471 2.768 2.582 2.996 . 0 0 "[ . 1 . 2]" 1
209 1 20 HIS HB2 1 21 LYS H 2.677 2.010 3.344 2.736 2.576 2.896 . 0 0 "[ . 1 . 2]" 1
210 1 20 HIS HB3 1 21 LYS H 4.155 3.480 4.830 3.653 3.607 3.728 . 0 0 "[ . 1 . 2]" 1
211 1 21 LYS H 1 21 LYS HA 2.984 2.291 3.677 2.802 2.778 2.817 . 0 0 "[ . 1 . 2]" 1
212 1 22 LEU H 1 22 LEU HB2 2.305 . 2.913 2.321 2.239 2.410 . 0 0 "[ . 1 . 2]" 1
213 1 22 LEU H 1 22 LEU HB3 2.681 2.075 3.287 2.676 2.565 2.758 . 0 0 "[ . 1 . 2]" 1
214 1 22 LEU H 1 22 LEU MD2 3.855 3.171 4.539 4.255 4.185 4.284 . 0 0 "[ . 1 . 2]" 1
215 1 22 LEU HA 1 22 LEU HB2 2.841 2.225 3.457 2.557 2.503 2.600 . 0 0 "[ . 1 . 2]" 1
216 1 22 LEU HA 1 22 LEU HB3 3.379 2.724 4.034 3.013 3.004 3.020 . 0 0 "[ . 1 . 2]" 1
217 1 22 LEU HA 1 22 LEU MD1 3.426 2.766 4.086 3.652 3.559 3.708 . 0 0 "[ . 1 . 2]" 1
218 1 22 LEU HA 1 22 LEU MD2 2.866 2.222 3.510 3.055 2.894 3.261 . 0 0 "[ . 1 . 2]" 1
219 1 22 LEU HB3 1 22 LEU MD1 2.360 . 2.981 2.537 2.486 2.617 . 0 0 "[ . 1 . 2]" 1
220 1 22 LEU HB3 1 22 LEU MD2 1.976 . 2.560 2.252 2.192 2.284 . 0 0 "[ . 1 . 2]" 1
221 1 22 LEU HB3 1 23 VAL H 2.562 . 3.261 2.451 2.296 2.596 . 0 0 "[ . 1 . 2]" 1
222 1 22 LEU MD1 1 47 ALA HA 2.531 . 3.176 2.429 2.054 2.894 . 0 0 "[ . 1 . 2]" 1
223 1 22 LEU MD1 1 47 ALA MB 4.000 2.500 5.500 2.737 2.416 3.067 0.084 8 0 "[ . 1 . 2]" 1
224 1 22 LEU MD1 1 50 VAL MG1 4.000 . 5.000 2.022 1.952 2.136 . 0 0 "[ . 1 . 2]" 1
225 1 22 LEU MD1 1 50 VAL MG2 4.000 . 5.500 2.214 1.910 2.715 . 0 0 "[ . 1 . 2]" 1
226 1 22 LEU MD1 1 72 ILE MD 4.000 2.500 5.500 4.271 3.238 5.151 . 0 0 "[ . 1 . 2]" 1
227 1 22 LEU MD1 1 75 ILE MD 4.200 3.300 5.100 4.344 3.756 4.641 . 0 0 "[ . 1 . 2]" 1
228 1 22 LEU MD2 1 23 VAL H 3.136 2.516 3.756 3.365 3.108 3.534 . 0 0 "[ . 1 . 2]" 1
229 1 22 LEU MD2 1 46 TYR QD 3.468 2.841 4.095 3.374 2.960 3.828 . 0 0 "[ . 1 . 2]" 1
230 1 22 LEU MD2 1 47 ALA HA 2.394 . 3.072 2.455 2.153 2.706 . 0 0 "[ . 1 . 2]" 1
231 1 22 LEU MD2 1 47 ALA MB 4.000 . 5.500 2.025 1.930 2.269 . 0 0 "[ . 1 . 2]" 1
232 1 22 LEU MD2 1 72 ILE MD 4.000 . 5.500 5.108 4.520 5.538 0.038 8 0 "[ . 1 . 2]" 1
233 1 22 LEU MD2 1 75 ILE MD 3.500 2.600 4.400 3.113 3.005 3.395 . 0 0 "[ . 1 . 2]" 1
234 1 23 VAL H 1 23 VAL HA 2.862 2.252 3.472 2.793 2.764 2.825 . 0 0 "[ . 1 . 2]" 1
235 1 23 VAL H 1 23 VAL HB 2.509 . 3.169 2.519 2.469 2.572 . 0 0 "[ . 1 . 2]" 1
236 1 23 VAL H 1 23 VAL MG2 2.223 . 2.841 2.065 1.976 2.175 . 0 0 "[ . 1 . 2]" 1
237 1 23 VAL H 1 47 ALA MB 2.835 2.214 3.456 3.345 3.290 3.378 . 0 0 "[ . 1 . 2]" 1
238 1 23 VAL HA 1 23 VAL HB 3.145 2.454 3.836 3.026 3.021 3.030 . 0 0 "[ . 1 . 2]" 1
239 1 23 VAL HA 1 23 VAL MG1 2.199 . 2.807 2.455 2.425 2.506 . 0 0 "[ . 1 . 2]" 1
240 1 23 VAL HA 1 24 GLN H 3.379 2.706 4.052 3.537 3.517 3.566 . 0 0 "[ . 1 . 2]" 1
241 1 23 VAL HA 1 26 ILE H 3.432 2.708 4.156 3.454 3.355 3.606 . 0 0 "[ . 1 . 2]" 1
242 1 23 VAL HA 1 43 LEU MD1 2.672 . 3.354 2.430 2.089 2.752 . 0 0 "[ . 1 . 2]" 1
243 1 23 VAL HA 1 47 ALA MB 3.140 2.393 3.887 3.659 3.505 3.757 . 0 0 "[ . 1 . 2]" 1
244 1 23 VAL HB 1 24 GLN H 2.383 . 3.005 2.490 2.421 2.594 . 0 0 "[ . 1 . 2]" 1
245 1 23 VAL HB 1 25 ALA H 4.594 3.872 5.316 4.951 4.841 5.045 . 0 0 "[ . 1 . 2]" 1
246 1 23 VAL MG1 1 24 GLN H 3.161 2.463 3.859 3.301 3.200 3.398 . 0 0 "[ . 1 . 2]" 1
247 1 23 VAL MG1 1 40 MET ME 3.000 . 4.500 3.830 3.075 4.346 . 0 0 "[ . 1 . 2]" 1
248 1 23 VAL MG1 1 43 LEU MD2 3.000 . 4.500 3.155 2.086 3.620 . 0 0 "[ . 1 . 2]" 1
249 1 23 VAL MG1 1 44 VAL MG2 4.000 . 5.500 2.320 1.924 3.046 . 0 0 "[ . 1 . 2]" 1
250 1 23 VAL MG2 1 43 LEU MD2 4.000 . 5.500 4.451 3.686 4.949 . 0 0 "[ . 1 . 2]" 1
251 1 23 VAL MG2 1 44 VAL MG2 3.000 . 4.500 2.349 2.019 2.913 . 0 0 "[ . 1 . 2]" 1
252 1 23 VAL MG2 1 47 ALA MB 2.500 . 4.000 2.285 2.153 2.498 . 0 0 "[ . 1 . 2]" 1
253 1 24 GLN H 1 24 GLN HA 2.698 2.085 3.311 2.786 2.770 2.802 . 0 0 "[ . 1 . 2]" 1
254 1 24 GLN H 1 24 GLN QB 2.321 . 2.914 2.226 2.151 2.439 . 0 0 "[ . 1 . 2]" 1
255 1 24 GLN H 1 25 ALA H 2.780 2.122 3.438 2.734 2.640 2.783 . 0 0 "[ . 1 . 2]" 1
256 1 24 GLN HA 1 24 GLN QB 2.927 2.325 3.529 2.370 2.321 2.502 0.004 9 0 "[ . 1 . 2]" 1
257 1 24 GLN HA 1 24 GLN QG 3.391 2.752 4.030 2.618 2.383 3.017 0.369 2 0 "[ . 1 . 2]" 1
258 1 24 GLN HA 1 25 ALA H 3.689 3.021 4.357 3.527 3.511 3.539 . 0 0 "[ . 1 . 2]" 1
259 1 24 GLN HA 1 27 PHE H 3.406 2.682 4.130 3.257 2.942 3.590 . 0 0 "[ . 1 . 2]" 1
260 1 24 GLN QB 1 24 GLN QG 2.355 . 2.915 2.035 1.988 2.086 . 0 0 "[ . 1 . 2]" 1
261 1 24 GLN QB 1 25 ALA H 2.792 2.097 3.487 2.603 2.476 2.802 . 0 0 "[ . 1 . 2]" 1
262 1 25 ALA H 1 25 ALA HA 2.835 2.175 3.495 2.797 2.779 2.811 . 0 0 "[ . 1 . 2]" 1
263 1 25 ALA H 1 25 ALA MB 2.233 . 2.839 2.230 2.221 2.237 . 0 0 "[ . 1 . 2]" 1
264 1 25 ALA H 1 26 ILE H 2.934 2.322 3.546 2.717 2.664 2.772 . 0 0 "[ . 1 . 2]" 1
265 1 25 ALA H 1 72 ILE MG 3.743 2.865 4.621 4.424 4.042 4.540 . 0 0 "[ . 1 . 2]" 1
266 1 25 ALA HA 1 25 ALA MB 1.994 . 2.539 2.127 2.124 2.129 . 0 0 "[ . 1 . 2]" 1
267 1 25 ALA HA 1 26 ILE H 3.568 2.856 4.280 3.538 3.498 3.552 . 0 0 "[ . 1 . 2]" 1
268 1 25 ALA MB 1 26 ILE H 2.765 2.122 3.408 2.602 2.445 2.653 . 0 0 "[ . 1 . 2]" 1
269 1 25 ALA MB 1 26 ILE HA 3.818 2.981 4.655 3.847 3.758 3.899 . 0 0 "[ . 1 . 2]" 1
270 1 25 ALA MB 1 72 ILE HA 3.391 2.587 4.195 3.302 2.963 4.001 . 0 0 "[ . 1 . 2]" 1
271 1 25 ALA MB 1 72 ILE MD 4.000 . 5.500 3.273 2.864 3.536 . 0 0 "[ . 1 . 2]" 1
272 1 25 ALA MB 1 72 ILE MG 2.500 . 4.000 2.035 1.848 2.283 . 0 0 "[ . 1 . 2]" 1
273 1 26 ILE H 1 26 ILE HA 3.253 2.585 3.921 2.880 2.845 2.900 . 0 0 "[ . 1 . 2]" 1
274 1 26 ILE H 1 26 ILE HB 2.736 2.050 3.422 2.498 2.372 2.626 . 0 0 "[ . 1 . 2]" 1
275 1 26 ILE H 1 26 ILE MD 3.874 3.217 4.531 3.369 3.328 3.397 . 0 0 "[ . 1 . 2]" 1
276 1 26 ILE H 1 26 ILE MG 3.835 3.186 4.484 3.799 3.733 3.832 . 0 0 "[ . 1 . 2]" 1
277 1 26 ILE H 1 27 PHE H 2.715 2.058 3.372 2.431 2.351 2.629 . 0 0 "[ . 1 . 2]" 1
278 1 26 ILE HA 1 26 ILE HB 3.121 2.427 3.815 3.061 3.042 3.070 . 0 0 "[ . 1 . 2]" 1
279 1 26 ILE HA 1 26 ILE MD 3.737 3.071 4.403 3.949 3.893 4.005 . 0 0 "[ . 1 . 2]" 1
280 1 26 ILE HA 1 26 ILE HG12 3.758 3.072 4.444 2.911 2.887 2.939 0.185 3 0 "[ . 1 . 2]" 1
281 1 26 ILE HA 1 26 ILE MG 3.056 2.416 3.696 2.563 2.502 2.612 . 0 0 "[ . 1 . 2]" 1
282 1 26 ILE HA 1 27 PHE H 3.599 2.908 4.290 3.505 3.468 3.545 . 0 0 "[ . 1 . 2]" 1
283 1 26 ILE HA 1 79 LEU MD1 3.602 2.962 4.242 3.416 3.052 4.121 . 0 0 "[ . 1 . 2]" 1
284 1 26 ILE HA 2 14 VAL MG1 3.914 3.051 4.777 3.963 3.417 4.635 . 0 0 "[ . 1 . 2]" 1
285 1 26 ILE HA 2 14 VAL MG2 4.047 3.125 4.969 4.416 3.765 4.884 . 0 0 "[ . 1 . 2]" 1
286 1 26 ILE HB 1 26 ILE HG12 3.678 2.936 4.420 3.020 3.011 3.029 . 0 0 "[ . 1 . 2]" 1
287 1 26 ILE HB 1 26 ILE MG 1.974 . 2.568 2.117 2.114 2.120 . 0 0 "[ . 1 . 2]" 1
288 1 26 ILE HB 1 27 PHE H 3.567 2.956 4.178 2.977 2.907 3.043 0.049 14 0 "[ . 1 . 2]" 1
289 1 26 ILE MD 1 26 ILE HG12 2.138 . 2.741 2.105 2.103 2.107 . 0 0 "[ . 1 . 2]" 1
290 1 26 ILE MD 1 43 LEU MD1 2.202 . 2.874 2.001 1.900 2.190 . 0 0 "[ . 1 . 2]" 1
291 1 26 ILE HG12 1 26 ILE MG 2.485 . 3.177 2.250 2.231 2.278 . 0 0 "[ . 1 . 2]" 1
292 1 26 ILE HG13 1 27 PHE H 4.443 3.710 5.176 4.513 4.258 4.689 . 0 0 "[ . 1 . 2]" 1
293 1 26 ILE MG 1 27 PHE HB2 3.442 2.837 4.047 2.595 2.394 3.084 0.443 20 0 "[ . 1 . 2]" 1
294 1 26 ILE MG 1 43 LEU MD1 4.000 . 5.500 2.436 2.058 2.784 . 0 0 "[ . 1 . 2]" 1
295 1 26 ILE MG 1 43 LEU MD2 4.000 . 5.500 2.247 1.902 3.024 . 0 0 "[ . 1 . 2]" 1
296 1 26 ILE MG 1 75 ILE MG 4.000 . 5.500 4.252 3.239 5.010 . 0 0 "[ . 1 . 2]" 1
297 1 27 PHE H 1 27 PHE HA 3.341 2.653 4.029 2.883 2.857 2.916 . 0 0 "[ . 1 . 2]" 1
298 1 27 PHE H 1 27 PHE HB2 3.284 2.594 3.974 3.190 2.990 3.301 . 0 0 "[ . 1 . 2]" 1
299 1 27 PHE H 1 28 PRO HD2 5.120 4.236 6.004 4.543 4.412 4.684 . 0 0 "[ . 1 . 2]" 1
300 1 27 PHE HA 1 28 PRO HD2 2.727 2.117 3.337 2.265 2.236 2.294 . 0 0 "[ . 1 . 2]" 1
301 1 27 PHE HA 2 14 VAL MG1 4.349 3.524 5.174 4.879 4.361 5.173 . 0 0 "[ . 1 . 2]" 1
302 1 27 PHE HA 2 14 VAL MG2 3.863 2.956 4.770 3.193 2.960 3.666 . 0 0 "[ . 1 . 2]" 1
303 1 27 PHE HB2 1 40 MET ME 3.344 2.495 4.193 4.260 3.851 4.619 0.426 19 0 "[ . 1 . 2]" 1
304 1 27 PHE HB3 1 40 MET ME 3.934 3.062 4.806 3.353 2.840 3.762 0.222 2 0 "[ . 1 . 2]" 1
305 1 27 PHE HB3 2 14 VAL MG2 4.519 3.681 5.357 4.866 3.773 5.142 . 0 0 "[ . 1 . 2]" 1
306 1 27 PHE QD 1 29 THR H 4.538 3.821 5.255 4.047 3.864 4.347 . 0 0 "[ . 1 . 2]" 1
307 1 27 PHE QD 1 29 THR MG 4.992 4.181 5.803 5.082 4.858 5.604 . 0 0 "[ . 1 . 2]" 1
308 1 27 PHE QD 1 43 LEU MD2 3.486 2.881 4.091 3.561 3.279 3.834 . 0 0 "[ . 1 . 2]" 1
309 1 27 PHE QE 1 29 THR MG 5.072 4.242 5.902 4.664 4.432 5.332 . 0 0 "[ . 1 . 2]" 1
310 1 27 PHE QE 2 14 VAL HA 4.541 3.767 5.315 4.162 3.919 5.176 . 0 0 "[ . 1 . 2]" 1
311 1 28 PRO HA 1 28 PRO HB2 3.171 2.476 3.866 2.722 2.710 2.734 . 0 0 "[ . 1 . 2]" 1
312 1 28 PRO HA 1 28 PRO HB3 2.728 2.033 3.423 2.306 2.298 2.314 . 0 0 "[ . 1 . 2]" 1
313 1 28 PRO HA 1 28 PRO HD2 5.001 4.199 5.803 4.113 4.103 4.118 0.096 17 0 "[ . 1 . 2]" 1
314 1 28 PRO HB3 1 28 PRO HD2 4.636 3.917 5.355 3.962 3.955 3.968 . 0 0 "[ . 1 . 2]" 1
315 1 28 PRO HB3 1 28 PRO HD3 3.739 3.017 4.461 3.226 3.206 3.268 . 0 0 "[ . 1 . 2]" 1
316 1 28 PRO HB3 1 29 THR H 4.552 3.858 5.246 4.169 4.104 4.429 . 0 0 "[ . 1 . 2]" 1
317 1 28 PRO HB3 1 29 THR MG 4.437 3.762 5.112 4.898 4.802 4.984 . 0 0 "[ . 1 . 2]" 1
318 1 28 PRO QG 1 29 THR MG 2.629 . 3.277 2.608 2.490 2.789 . 0 0 "[ . 1 . 2]" 1
319 1 29 THR H 1 29 THR HA 2.567 . 3.201 2.850 2.787 2.924 . 0 0 "[ . 1 . 2]" 1
320 1 29 THR H 1 29 THR HB 4.190 3.496 4.884 3.596 3.576 3.654 . 0 0 "[ . 1 . 2]" 1
321 1 29 THR H 1 29 THR MG 2.718 2.051 3.385 2.469 2.272 2.741 . 0 0 "[ . 1 . 2]" 1
322 1 29 THR H 1 30 PRO HD2 5.320 4.616 6.024 5.398 5.316 5.434 . 0 0 "[ . 1 . 2]" 1
323 1 29 THR H 1 30 PRO HD3 4.078 3.386 4.770 4.216 4.134 4.363 . 0 0 "[ . 1 . 2]" 1
324 1 29 THR HA 1 29 THR MG 2.322 . 2.932 2.274 2.227 2.310 . 0 0 "[ . 1 . 2]" 1
325 1 29 THR HB 1 29 THR MG 2.114 . 2.688 2.137 2.135 2.140 . 0 0 "[ . 1 . 2]" 1
326 1 30 PRO HA 1 30 PRO HD3 4.756 3.923 5.589 4.007 3.979 4.031 . 0 0 "[ . 1 . 2]" 1
327 1 30 PRO HA 1 31 ASP H 2.505 . 3.091 2.448 2.277 2.692 . 0 0 "[ . 1 . 2]" 1
328 1 30 PRO HB2 1 31 ASP H 4.817 4.149 5.485 4.289 4.233 4.310 . 0 0 "[ . 1 . 2]" 1
329 1 30 PRO HB3 1 30 PRO HG2 3.528 2.869 4.187 2.733 2.706 2.756 0.163 4 0 "[ . 1 . 2]" 1
330 1 30 PRO HD3 1 30 PRO HG2 2.910 2.285 3.535 2.670 2.662 2.677 . 0 0 "[ . 1 . 2]" 1
331 1 31 ASP H 1 31 ASP HA 3.248 2.605 3.891 2.870 2.813 2.940 . 0 0 "[ . 1 . 2]" 1
332 1 31 ASP H 1 31 ASP QB 2.978 2.376 3.580 2.299 2.260 2.394 0.116 4 0 "[ . 1 . 2]" 1
333 1 31 ASP H 1 32 PRO QD 5.396 4.611 6.181 4.313 4.235 4.350 0.376 16 0 "[ . 1 . 2]" 1
334 1 31 ASP H 1 35 LEU MD2 3.655 2.946 4.364 3.503 3.135 4.140 . 0 0 "[ . 1 . 2]" 1
335 1 31 ASP HA 1 31 ASP QB 3.023 2.647 3.666 2.384 2.368 2.430 0.279 14 0 "[ . 1 . 2]" 1
336 1 32 PRO QB 1 33 ALA H 3.501 2.835 4.167 3.198 2.936 3.281 . 0 0 "[ . 1 . 2]" 1
337 1 32 PRO QB 1 33 ALA MB 3.852 3.163 4.541 3.975 3.817 4.072 . 0 0 "[ . 1 . 2]" 1
338 1 32 PRO QD 1 33 ALA H 3.344 2.701 3.987 3.072 2.978 3.141 . 0 0 "[ . 1 . 2]" 1
339 1 33 ALA H 1 33 ALA MB 2.057 . 2.603 2.284 2.241 2.309 . 0 0 "[ . 1 . 2]" 1
340 1 33 ALA HA 1 33 ALA MB 1.991 . 2.525 2.129 2.126 2.132 . 0 0 "[ . 1 . 2]" 1
341 1 33 ALA HA 1 34 ALA H 3.209 2.511 3.907 3.553 3.541 3.567 . 0 0 "[ . 1 . 2]" 1
342 1 33 ALA MB 1 35 LEU H 4.205 3.407 5.003 4.254 4.079 4.616 . 0 0 "[ . 1 . 2]" 1
343 1 34 ALA H 1 34 ALA HA 2.602 . 3.280 2.774 2.757 2.828 . 0 0 "[ . 1 . 2]" 1
344 1 34 ALA H 1 34 ALA MB 1.976 . 2.518 2.218 2.192 2.252 . 0 0 "[ . 1 . 2]" 1
345 1 34 ALA H 1 35 LEU H 2.433 . 3.042 2.744 2.668 2.794 . 0 0 "[ . 1 . 2]" 1
346 1 34 ALA H 1 35 LEU HB2 4.257 3.593 4.921 4.558 4.311 4.674 . 0 0 "[ . 1 . 2]" 1
347 1 34 ALA H 1 36 LYS H 3.779 3.107 4.451 4.225 3.956 4.331 . 0 0 "[ . 1 . 2]" 1
348 1 34 ALA HA 1 35 LEU H 3.237 2.557 3.917 3.479 3.431 3.566 . 0 0 "[ . 1 . 2]" 1
349 1 34 ALA MB 1 35 LEU H 2.508 . 3.152 2.764 2.524 2.844 . 0 0 "[ . 1 . 2]" 1
350 1 34 ALA MB 1 35 LEU MD1 4.000 . 5.500 5.219 5.091 5.378 . 0 0 "[ . 1 . 2]" 1
351 1 34 ALA MB 1 37 ASP HB2 3.887 3.276 4.498 3.901 3.587 4.228 . 0 0 "[ . 1 . 2]" 1
352 1 35 LEU H 1 35 LEU HA 2.947 2.280 3.614 2.814 2.693 2.839 . 0 0 "[ . 1 . 2]" 1
353 1 35 LEU H 1 35 LEU HB2 2.299 . 2.930 2.077 2.031 2.124 . 0 0 "[ . 1 . 2]" 1
354 1 35 LEU H 1 35 LEU MD1 4.301 3.669 4.933 4.256 4.196 4.317 . 0 0 "[ . 1 . 2]" 1
355 1 35 LEU H 1 35 LEU MD2 3.467 2.866 4.068 3.304 3.067 3.485 . 0 0 "[ . 1 . 2]" 1
356 1 35 LEU H 1 36 LYS H 2.821 2.125 3.517 2.610 2.539 2.948 . 0 0 "[ . 1 . 2]" 1
357 1 35 LEU HA 1 35 LEU HB3 3.376 2.713 4.039 2.918 2.878 2.950 . 0 0 "[ . 1 . 2]" 1
358 1 35 LEU HA 1 35 LEU MD1 2.316 . 2.918 2.224 2.114 2.390 . 0 0 "[ . 1 . 2]" 1
359 1 35 LEU HA 1 35 LEU MD2 2.110 . 2.670 2.047 1.980 2.135 . 0 0 "[ . 1 . 2]" 1
360 1 35 LEU HA 1 36 LYS H 3.348 2.731 3.965 3.483 3.446 3.512 . 0 0 "[ . 1 . 2]" 1
361 1 35 LEU HA 1 37 ASP H 3.941 3.165 4.717 3.748 3.613 3.859 . 0 0 "[ . 1 . 2]" 1
362 1 35 LEU HB2 1 35 LEU MD2 2.259 . 2.853 2.347 2.319 2.367 . 0 0 "[ . 1 . 2]" 1
363 1 35 LEU HB3 1 35 LEU MD1 2.701 2.050 3.352 2.402 2.383 2.434 . 0 0 "[ . 1 . 2]" 1
364 1 35 LEU HB3 1 36 LYS H 2.670 2.056 3.284 3.005 2.899 3.070 . 0 0 "[ . 1 . 2]" 1
365 1 35 LEU MD1 1 36 LYS H 4.270 3.507 5.033 4.283 4.198 4.375 . 0 0 "[ . 1 . 2]" 1
366 1 35 LEU MD1 1 40 MET ME 4.000 . 5.500 3.829 3.503 4.149 . 0 0 "[ . 1 . 2]" 1
367 1 35 LEU MD2 1 36 LYS H 4.506 3.795 5.217 4.708 4.633 4.753 . 0 0 "[ . 1 . 2]" 1
368 1 35 LEU MD2 1 40 MET ME 2.500 . 4.000 2.359 2.097 2.672 . 0 0 "[ . 1 . 2]" 1
369 1 36 LYS H 1 36 LYS HA 2.918 2.281 3.555 2.936 2.924 2.945 . 0 0 "[ . 1 . 2]" 1
370 1 36 LYS H 1 36 LYS HB2 2.381 . 2.981 2.530 2.476 2.606 . 0 0 "[ . 1 . 2]" 1
371 1 36 LYS H 1 36 LYS HB3 3.820 3.140 4.500 3.676 3.646 3.700 . 0 0 "[ . 1 . 2]" 1
372 1 36 LYS H 1 36 LYS QG 2.955 2.313 3.597 2.539 2.391 2.743 . 0 0 "[ . 1 . 2]" 1
373 1 36 LYS H 1 37 ASP H 2.475 . 3.076 2.563 2.375 2.670 . 0 0 "[ . 1 . 2]" 1
374 1 36 LYS H 1 37 ASP HB2 4.697 3.964 5.430 4.253 4.060 4.607 . 0 0 "[ . 1 . 2]" 1
375 1 36 LYS H 1 37 ASP HB3 4.833 4.093 5.573 4.503 4.132 5.006 . 0 0 "[ . 1 . 2]" 1
376 1 36 LYS HA 1 36 LYS HB2 3.523 2.919 4.127 3.035 3.032 3.038 . 0 0 "[ . 1 . 2]" 1
377 1 36 LYS HA 1 36 LYS HB3 2.801 2.132 3.470 2.461 2.420 2.499 . 0 0 "[ . 1 . 2]" 1
378 1 36 LYS HA 1 36 LYS QG 3.405 2.729 4.081 2.597 2.397 3.003 0.332 10 0 "[ . 1 . 2]" 1
379 1 36 LYS HB2 1 36 LYS QG 2.636 . 3.295 2.300 2.162 2.388 . 0 0 "[ . 1 . 2]" 1
380 1 36 LYS HB2 1 37 ASP H 3.762 3.095 4.429 3.893 3.556 3.976 . 0 0 "[ . 1 . 2]" 1
381 1 37 ASP H 1 37 ASP HA 2.983 2.333 3.633 2.930 2.917 2.941 . 0 0 "[ . 1 . 2]" 1
382 1 37 ASP H 1 37 ASP HB2 2.456 . 3.070 2.879 2.607 3.193 0.123 11 0 "[ . 1 . 2]" 1
383 1 37 ASP H 1 37 ASP HB3 3.044 2.432 3.656 2.489 2.270 2.748 0.162 11 0 "[ . 1 . 2]" 1
384 1 37 ASP H 1 38 ARG H 4.646 3.934 5.358 4.484 4.442 4.546 . 0 0 "[ . 1 . 2]" 1
385 1 37 ASP H 1 40 MET H 4.151 3.476 4.826 4.532 4.196 4.703 . 0 0 "[ . 1 . 2]" 1
386 1 37 ASP HA 1 38 ARG H 2.320 . 2.901 2.153 2.109 2.197 . 0 0 "[ . 1 . 2]" 1
387 1 37 ASP HA 1 39 ARG H 4.481 3.722 5.240 4.094 3.944 4.237 . 0 0 "[ . 1 . 2]" 1
388 1 37 ASP HB2 1 38 ARG H 4.806 4.068 5.544 4.113 3.767 4.324 0.301 11 0 "[ . 1 . 2]" 1
389 1 37 ASP HB2 1 39 ARG H 4.178 3.372 4.984 4.695 4.494 4.861 . 0 0 "[ . 1 . 2]" 1
390 1 37 ASP HB2 1 40 MET H 3.683 2.858 4.508 4.572 4.313 4.781 0.273 3 0 "[ . 1 . 2]" 1
391 1 38 ARG H 1 38 ARG HA 2.847 2.173 3.521 2.775 2.743 2.806 . 0 0 "[ . 1 . 2]" 1
392 1 38 ARG H 1 38 ARG QB 2.598 2.002 3.194 2.399 2.341 2.487 . 0 0 "[ . 1 . 2]" 1
393 1 38 ARG H 1 38 ARG HG2 2.697 2.001 3.393 2.512 2.240 3.636 0.243 12 0 "[ . 1 . 2]" 1
394 1 38 ARG H 1 38 ARG HG3 3.778 3.136 4.420 3.500 2.290 3.817 0.846 5 3 "[ * + 1 - . 2]" 1
395 1 38 ARG H 1 39 ARG H 3.011 2.391 3.631 2.807 2.737 2.951 . 0 0 "[ . 1 . 2]" 1
396 1 38 ARG HA 1 38 ARG QB 3.005 2.385 3.625 2.399 2.368 2.420 0.017 14 0 "[ . 1 . 2]" 1
397 1 38 ARG HA 1 39 ARG H 3.801 3.033 4.569 3.542 3.525 3.570 . 0 0 "[ . 1 . 2]" 1
398 1 38 ARG QB 1 39 ARG H 3.143 2.462 3.824 2.715 2.606 2.815 . 0 0 "[ . 1 . 2]" 1
399 1 38 ARG HG2 1 39 ARG H 5.215 4.398 6.032 4.623 4.456 5.172 . 0 0 "[ . 1 . 2]" 1
400 1 38 ARG HG3 1 39 ARG H 5.720 4.911 6.529 5.055 4.520 5.270 0.391 12 0 "[ . 1 . 2]" 1
401 1 39 ARG H 1 39 ARG QD 5.174 4.467 5.881 4.656 4.355 4.862 0.112 16 0 "[ . 1 . 2]" 1
402 1 39 ARG H 1 40 MET H 2.930 2.240 3.620 2.766 2.557 2.931 . 0 0 "[ . 1 . 2]" 1
403 1 39 ARG HA 1 40 MET H 4.170 3.369 4.971 3.558 3.524 3.592 . 0 0 "[ . 1 . 2]" 1
404 1 39 ARG HA 1 42 ASN H 3.328 2.672 3.984 3.495 3.189 3.847 . 0 0 "[ . 1 . 2]" 1
405 1 39 ARG HA 1 42 ASN QB 4.621 3.937 5.305 3.103 2.859 3.517 1.078 14 18 [****.-*******+*****2] 1
406 1 39 ARG HA 1 42 ASN HD21 4.398 3.530 5.266 4.299 3.646 5.077 . 0 0 "[ . 1 . 2]" 1
407 1 39 ARG HA 1 42 ASN HD22 4.633 3.812 5.454 4.492 3.930 5.347 . 0 0 "[ . 1 . 2]" 1
408 1 40 MET H 1 40 MET HA 3.163 2.538 3.788 2.807 2.786 2.829 . 0 0 "[ . 1 . 2]" 1
409 1 40 MET H 1 40 MET QB 2.564 . 3.178 2.272 2.082 2.322 . 0 0 "[ . 1 . 2]" 1
410 1 40 MET H 1 40 MET ME 4.976 4.264 5.688 4.510 4.407 4.864 . 0 0 "[ . 1 . 2]" 1
411 1 40 MET H 1 41 GLU H 2.584 . 3.202 2.696 2.635 2.766 . 0 0 "[ . 1 . 2]" 1
412 1 40 MET HA 1 40 MET ME 3.560 2.901 4.219 3.837 3.323 4.001 . 0 0 "[ . 1 . 2]" 1
413 1 40 MET HA 1 43 LEU HB2 4.979 4.178 5.780 4.834 4.339 5.071 . 0 0 "[ . 1 . 2]" 1
414 1 40 MET HA 1 43 LEU HB3 3.257 2.522 3.992 3.443 2.682 3.794 . 0 0 "[ . 1 . 2]" 1
415 1 40 MET HA 1 43 LEU MD2 2.730 2.100 3.360 2.219 2.161 2.378 . 0 0 "[ . 1 . 2]" 1
416 1 40 MET QB 1 40 MET ME 2.372 . 3.006 2.097 2.019 2.147 . 0 0 "[ . 1 . 2]" 1
417 1 40 MET QB 1 41 GLU H 4.143 3.364 4.922 2.849 2.798 3.051 0.566 3 17 "[**+**-****** **** *]" 1
418 1 40 MET ME 1 43 LEU MD1 4.000 . 5.500 4.503 3.607 5.313 . 0 0 "[ . 1 . 2]" 1
419 1 40 MET ME 1 43 LEU MD2 2.500 . 4.000 3.273 2.617 3.761 . 0 0 "[ . 1 . 2]" 1
420 1 40 MET ME 1 44 VAL MG2 4.000 . 5.500 4.199 3.349 4.485 . 0 0 "[ . 1 . 2]" 1
421 1 41 GLU H 1 41 GLU HA 2.868 2.230 3.506 2.804 2.776 2.826 . 0 0 "[ . 1 . 2]" 1
422 1 41 GLU HA 1 44 VAL H 3.067 2.425 3.709 3.350 3.152 3.535 . 0 0 "[ . 1 . 2]" 1
423 1 41 GLU HA 1 44 VAL MG2 2.486 . 3.158 2.790 2.496 2.894 . 0 0 "[ . 1 . 2]" 1
424 1 41 GLU QB 1 42 ASN H 2.431 . 3.028 2.616 2.548 2.671 . 0 0 "[ . 1 . 2]" 1
425 1 42 ASN H 1 42 ASN HA 3.058 2.400 3.716 2.811 2.801 2.820 . 0 0 "[ . 1 . 2]" 1
426 1 42 ASN H 1 42 ASN QB 3.474 2.866 4.082 2.357 2.192 2.539 0.674 18 12 "[ ** .** *** *-* + *]" 1
427 1 42 ASN H 1 43 LEU H 2.431 . 3.029 2.709 2.644 2.754 . 0 0 "[ . 1 . 2]" 1
428 1 42 ASN H 1 44 VAL H 3.577 2.910 4.244 4.053 3.987 4.091 . 0 0 "[ . 1 . 2]" 1
429 1 42 ASN HA 1 42 ASN QB 2.903 2.250 3.556 2.428 2.366 2.485 . 0 0 "[ . 1 . 2]" 1
430 1 42 ASN HA 1 43 LEU H 3.644 2.997 4.291 3.544 3.514 3.560 . 0 0 "[ . 1 . 2]" 1
431 1 42 ASN HA 1 45 ALA H 3.149 2.515 3.783 3.454 3.321 3.559 . 0 0 "[ . 1 . 2]" 1
432 1 42 ASN QB 1 43 LEU H 3.812 3.201 4.423 2.594 2.471 2.738 0.730 16 18 "[**********- ***+* **]" 1
433 1 42 ASN QB 1 45 ALA MB 3.786 3.102 4.470 4.055 3.835 4.109 . 0 0 "[ . 1 . 2]" 1
434 1 43 LEU H 1 43 LEU HA 3.402 2.744 4.060 2.867 2.856 2.878 . 0 0 "[ . 1 . 2]" 1
435 1 43 LEU H 1 43 LEU HB2 3.893 3.210 4.576 3.573 3.378 3.634 . 0 0 "[ . 1 . 2]" 1
436 1 43 LEU H 1 43 LEU HB3 2.541 . 3.197 2.359 2.145 2.463 . 0 0 "[ . 1 . 2]" 1
437 1 43 LEU H 1 43 LEU MD1 4.168 3.517 4.819 4.078 3.985 4.375 . 0 0 "[ . 1 . 2]" 1
438 1 43 LEU H 1 43 LEU HG 3.380 2.691 4.069 2.950 2.742 3.624 . 0 0 "[ . 1 . 2]" 1
439 1 43 LEU H 1 44 VAL H 2.640 . 3.314 2.543 2.472 2.625 . 0 0 "[ . 1 . 2]" 1
440 1 43 LEU H 1 44 VAL HB 4.722 3.933 5.511 4.778 4.631 4.884 . 0 0 "[ . 1 . 2]" 1
441 1 43 LEU H 2 10 ILE MD 4.666 3.760 5.572 4.503 3.803 5.480 . 0 0 "[ . 1 . 2]" 1
442 1 43 LEU H 2 10 ILE MG 4.193 3.471 4.915 4.460 4.127 4.725 . 0 0 "[ . 1 . 2]" 1
443 1 43 LEU HA 1 43 LEU HB3 3.266 2.658 3.874 2.661 2.595 2.841 0.063 10 0 "[ . 1 . 2]" 1
444 1 43 LEU HA 1 43 LEU MD1 3.237 2.575 3.899 3.388 2.998 3.524 . 0 0 "[ . 1 . 2]" 1
445 1 43 LEU HA 1 44 VAL H 3.575 2.901 4.249 3.528 3.512 3.545 . 0 0 "[ . 1 . 2]" 1
446 1 43 LEU HB2 1 43 LEU HG 2.926 2.323 3.529 2.998 2.990 3.009 . 0 0 "[ . 1 . 2]" 1
447 1 43 LEU HB2 1 44 VAL H 3.967 3.341 4.593 4.120 4.038 4.232 . 0 0 "[ . 1 . 2]" 1
448 1 43 LEU HB3 1 44 VAL H 3.581 2.953 4.209 3.735 3.321 3.913 . 0 0 "[ . 1 . 2]" 1
449 1 43 LEU MD2 1 44 VAL MG2 4.000 . 5.500 3.480 3.123 3.671 . 0 0 "[ . 1 . 2]" 1
450 1 43 LEU MD2 2 13 PHE QE 4.243 3.549 4.937 4.443 3.720 4.839 . 0 0 "[ . 1 . 2]" 1
451 1 43 LEU HG 1 44 VAL H 2.532 . 3.203 2.323 2.164 2.587 . 0 0 "[ . 1 . 2]" 1
452 1 44 VAL H 1 44 VAL HA 2.903 2.273 3.533 2.837 2.802 2.847 . 0 0 "[ . 1 . 2]" 1
453 1 44 VAL H 1 44 VAL HB 2.412 . 3.053 2.536 2.495 2.581 . 0 0 "[ . 1 . 2]" 1
454 1 44 VAL H 1 44 VAL MG1 3.388 2.761 4.015 3.775 3.764 3.783 . 0 0 "[ . 1 . 2]" 1
455 1 44 VAL H 1 44 VAL MG2 2.051 . 2.635 2.122 2.058 2.208 . 0 0 "[ . 1 . 2]" 1
456 1 44 VAL HA 1 44 VAL HB 3.213 2.507 3.919 3.028 3.026 3.031 . 0 0 "[ . 1 . 2]" 1
457 1 44 VAL HA 1 44 VAL MG1 2.105 . 2.687 2.403 2.375 2.434 . 0 0 "[ . 1 . 2]" 1
458 1 44 VAL HA 1 44 VAL MG2 2.242 . 2.840 2.386 2.352 2.418 . 0 0 "[ . 1 . 2]" 1
459 1 44 VAL HA 1 45 ALA H 3.665 2.935 4.395 3.535 3.523 3.548 . 0 0 "[ . 1 . 2]" 1
460 1 44 VAL HA 1 47 ALA MB 2.627 2.005 3.249 2.712 2.436 3.039 . 0 0 "[ . 1 . 2]" 1
461 1 44 VAL HB 1 44 VAL MG1 2.004 . 2.641 2.130 2.125 2.133 . 0 0 "[ . 1 . 2]" 1
462 1 44 VAL HB 1 44 VAL MG2 2.123 . 2.781 2.129 2.126 2.130 . 0 0 "[ . 1 . 2]" 1
463 1 44 VAL HB 1 45 ALA H 2.559 . 3.211 2.559 2.438 2.631 . 0 0 "[ . 1 . 2]" 1
464 1 44 VAL MG1 1 45 ALA H 3.519 2.871 4.167 3.423 3.324 3.496 . 0 0 "[ . 1 . 2]" 1
465 1 44 VAL MG1 1 48 LYS QE 2.201 . 2.822 2.178 1.829 2.627 . 0 0 "[ . 1 . 2]" 1
466 1 44 VAL MG2 1 45 ALA H 3.941 3.259 4.623 3.785 3.722 3.864 . 0 0 "[ . 1 . 2]" 1
467 1 45 ALA H 1 45 ALA HA 2.531 . 3.155 2.788 2.767 2.805 . 0 0 "[ . 1 . 2]" 1
468 1 45 ALA H 1 45 ALA MB 2.047 . 2.608 2.229 2.219 2.243 . 0 0 "[ . 1 . 2]" 1
469 1 45 ALA HA 1 45 ALA MB 2.329 . 2.930 2.125 2.121 2.128 . 0 0 "[ . 1 . 2]" 1
470 1 45 ALA HA 1 48 LYS HB2 3.189 2.420 3.958 2.631 2.508 2.788 . 0 0 "[ . 1 . 2]" 1
471 1 45 ALA MB 1 48 LYS H 4.429 3.635 5.223 4.557 4.454 4.656 . 0 0 "[ . 1 . 2]" 1
472 1 46 TYR H 1 46 TYR QB 2.739 2.138 3.340 2.310 2.254 2.357 . 0 0 "[ . 1 . 2]" 1
473 1 46 TYR HA 1 47 ALA H 3.460 2.860 4.060 3.533 3.503 3.553 . 0 0 "[ . 1 . 2]" 1
474 1 46 TYR HA 1 49 LYS H 3.490 2.823 4.157 3.232 3.029 3.555 . 0 0 "[ . 1 . 2]" 1
475 1 46 TYR QB 1 47 ALA H 4.079 3.402 4.756 2.683 2.567 2.778 0.835 9 20 [********+********-**] 1
476 1 46 TYR QD 1 47 ALA HA 4.635 3.814 5.456 4.093 3.964 4.395 . 0 0 "[ . 1 . 2]" 1
477 1 46 TYR QD 1 50 VAL MG2 4.175 3.359 4.991 3.518 3.444 3.649 . 0 0 "[ . 1 . 2]" 1
478 1 46 TYR QD 2 6 LEU QD 4.637 3.807 5.467 2.749 2.178 3.751 1.629 18 17 "[* -******** *** *+**]" 1
479 1 46 TYR QD 2 10 ILE MD 4.385 3.637 5.133 4.518 3.771 4.962 . 0 0 "[ . 1 . 2]" 1
480 1 46 TYR QD 2 10 ILE HG13 4.124 3.344 4.904 4.021 3.483 4.681 . 0 0 "[ . 1 . 2]" 1
481 1 46 TYR QD 2 10 ILE MG 4.332 3.587 5.077 3.992 3.649 4.793 . 0 0 "[ . 1 . 2]" 1
482 1 46 TYR QE 1 50 VAL MG1 4.954 4.127 5.781 5.306 4.974 5.701 . 0 0 "[ . 1 . 2]" 1
483 1 46 TYR QE 1 50 VAL MG2 3.615 2.945 4.285 3.218 3.072 3.441 . 0 0 "[ . 1 . 2]" 1
484 1 46 TYR QE 2 6 LEU QD 4.337 3.677 4.997 1.995 1.766 2.458 1.911 16 20 [-**************+****] 1
485 1 46 TYR QE 2 10 ILE MD 4.991 4.188 5.794 5.376 4.718 5.665 . 0 0 "[ . 1 . 2]" 1
486 1 46 TYR QE 2 10 ILE MG 4.946 4.111 5.781 5.097 4.355 5.709 . 0 0 "[ . 1 . 2]" 1
487 1 47 ALA H 1 47 ALA HA 2.844 2.153 3.535 2.816 2.787 2.840 . 0 0 "[ . 1 . 2]" 1
488 1 47 ALA H 1 47 ALA MB 2.203 . 2.805 2.249 2.231 2.256 . 0 0 "[ . 1 . 2]" 1
489 1 47 ALA H 1 48 LYS H 2.872 2.238 3.506 2.710 2.624 2.843 . 0 0 "[ . 1 . 2]" 1
490 1 47 ALA H 1 48 LYS HB2 4.132 3.476 4.788 4.539 4.430 4.608 . 0 0 "[ . 1 . 2]" 1
491 1 47 ALA HA 1 47 ALA MB 2.120 . 2.739 2.135 2.132 2.140 . 0 0 "[ . 1 . 2]" 1
492 1 47 ALA HA 1 48 LYS H 3.554 2.770 4.338 3.562 3.536 3.578 . 0 0 "[ . 1 . 2]" 1
493 1 47 ALA HA 1 50 VAL H 3.489 2.797 4.181 3.407 3.279 3.620 . 0 0 "[ . 1 . 2]" 1
494 1 47 ALA HA 1 50 VAL HB 2.799 2.147 3.451 2.599 2.337 2.941 . 0 0 "[ . 1 . 2]" 1
495 1 47 ALA MB 1 48 LYS H 2.532 . 3.139 2.483 2.301 2.633 . 0 0 "[ . 1 . 2]" 1
496 1 48 LYS H 1 48 LYS HA 2.745 2.096 3.394 2.776 2.695 2.828 . 0 0 "[ . 1 . 2]" 1
497 1 48 LYS H 1 48 LYS HB2 2.054 . 2.653 2.255 2.061 2.526 . 0 0 "[ . 1 . 2]" 1
498 1 48 LYS H 1 48 LYS QD 2.494 . 3.114 2.849 2.797 2.955 . 0 0 "[ . 1 . 2]" 1
499 1 48 LYS H 1 48 LYS QG 4.051 3.233 4.869 3.010 1.899 3.834 1.334 14 9 "[ . *- *+*** **]" 1
500 1 48 LYS H 1 49 LYS H 2.692 2.030 3.354 2.770 2.589 3.008 . 0 0 "[ . 1 . 2]" 1
501 1 48 LYS HA 1 48 LYS HB2 2.930 2.273 3.587 2.952 2.865 3.016 . 0 0 "[ . 1 . 2]" 1
502 1 48 LYS HA 1 48 LYS QD 2.498 . 3.166 2.146 1.976 2.325 . 0 0 "[ . 1 . 2]" 1
503 1 48 LYS HA 1 48 LYS QG 4.157 3.490 4.824 2.689 2.350 3.080 1.140 8 11 "[*******+*1 * . - 2]" 1
504 1 48 LYS HA 1 51 GLU H 3.295 2.646 3.944 3.328 3.076 3.608 . 0 0 "[ . 1 . 2]" 1
505 1 48 LYS HB3 1 49 LYS H 2.684 2.070 3.298 3.149 2.968 3.300 0.002 11 0 "[ . 1 . 2]" 1
506 1 48 LYS QD 1 48 LYS QE 2.273 . 2.899 2.008 1.991 2.032 . 0 0 "[ . 1 . 2]" 1
507 1 48 LYS QD 1 48 LYS QG 2.720 2.101 3.339 2.051 2.018 2.086 0.083 12 0 "[ . 1 . 2]" 1
508 1 49 LYS H 1 49 LYS HA 2.757 2.138 3.376 2.783 2.767 2.800 . 0 0 "[ . 1 . 2]" 1
509 1 49 LYS H 1 50 VAL H 2.691 2.053 3.329 2.804 2.700 2.869 . 0 0 "[ . 1 . 2]" 1
510 1 49 LYS H 1 50 VAL MG2 4.820 4.047 5.593 4.649 4.413 4.776 . 0 0 "[ . 1 . 2]" 1
511 1 49 LYS HA 1 50 VAL H 3.634 2.984 4.284 3.547 3.516 3.567 . 0 0 "[ . 1 . 2]" 1
512 1 50 VAL H 1 50 VAL HA 2.900 2.226 3.574 2.766 2.750 2.792 . 0 0 "[ . 1 . 2]" 1
513 1 50 VAL H 1 50 VAL HB 2.209 . 2.821 2.378 2.340 2.417 . 0 0 "[ . 1 . 2]" 1
514 1 50 VAL H 1 50 VAL MG1 3.484 2.879 4.089 3.735 3.718 3.755 . 0 0 "[ . 1 . 2]" 1
515 1 50 VAL H 1 50 VAL MG2 2.741 2.144 3.338 2.393 2.330 2.440 . 0 0 "[ . 1 . 2]" 1
516 1 50 VAL H 1 51 GLU H 2.730 2.062 3.398 2.919 2.845 2.976 . 0 0 "[ . 1 . 2]" 1
517 1 50 VAL HA 1 50 VAL HB 2.916 2.222 3.610 3.004 2.991 3.012 . 0 0 "[ . 1 . 2]" 1
518 1 50 VAL HA 1 50 VAL MG1 2.546 . 3.169 2.575 2.521 2.615 . 0 0 "[ . 1 . 2]" 1
519 1 50 VAL HA 1 50 VAL MG2 2.158 . 2.731 2.247 2.219 2.271 . 0 0 "[ . 1 . 2]" 1
520 1 50 VAL HA 1 51 GLU H 3.402 2.734 4.070 3.576 3.556 3.586 . 0 0 "[ . 1 . 2]" 1
521 1 50 VAL HA 1 53 ASP H 3.455 2.787 4.123 3.476 3.335 3.673 . 0 0 "[ . 1 . 2]" 1
522 1 50 VAL HA 1 53 ASP HB2 4.388 3.630 5.146 3.753 2.804 3.859 0.826 6 1 "[ .+ 1 . 2]" 1
523 1 50 VAL HA 1 53 ASP HB3 3.281 2.617 3.945 2.965 2.757 4.499 0.554 6 1 "[ .+ 1 . 2]" 1
524 1 50 VAL HB 1 50 VAL MG2 2.148 . 2.846 2.130 2.128 2.134 . 0 0 "[ . 1 . 2]" 1
525 1 50 VAL HB 1 51 GLU H 2.701 2.028 3.374 2.619 2.514 2.698 . 0 0 "[ . 1 . 2]" 1
526 1 50 VAL MG1 1 50 VAL MG2 1.744 . 2.352 2.068 2.062 2.073 . 0 0 "[ . 1 . 2]" 1
527 1 50 VAL MG1 1 51 GLU H 2.573 . 3.244 2.897 2.808 3.006 . 0 0 "[ . 1 . 2]" 1
528 1 50 VAL MG1 1 52 GLY H 4.638 3.836 5.440 4.725 4.640 4.898 . 0 0 "[ . 1 . 2]" 1
529 1 50 VAL MG1 1 54 MET H 4.315 3.498 5.132 3.771 3.684 3.950 . 0 0 "[ . 1 . 2]" 1
530 1 50 VAL MG1 1 54 MET ME 2.500 . 4.000 1.893 1.795 2.050 . 0 0 "[ . 1 . 2]" 1
531 1 50 VAL MG1 1 54 MET HG2 2.359 . 3.010 2.331 2.195 2.580 . 0 0 "[ . 1 . 2]" 1
532 1 50 VAL MG1 1 54 MET HG3 2.775 2.079 3.471 2.545 2.421 2.877 . 0 0 "[ . 1 . 2]" 1
533 1 50 VAL MG2 1 51 GLU H 3.879 3.179 4.579 4.009 3.935 4.047 . 0 0 "[ . 1 . 2]" 1
534 1 50 VAL MG2 1 54 MET ME 2.596 . 3.222 3.089 3.036 3.156 . 0 0 "[ . 1 . 2]" 1
535 1 51 GLU H 1 51 GLU HA 3.010 2.331 3.689 2.784 2.765 2.807 . 0 0 "[ . 1 . 2]" 1
536 1 51 GLU HA 1 51 GLU QG 3.965 3.330 4.600 3.222 2.388 3.537 0.942 5 5 "[* + * 1 * . -]" 1
537 1 51 GLU HA 1 54 MET H 3.865 3.140 4.590 3.658 3.397 3.977 . 0 0 "[ . 1 . 2]" 1
538 1 51 GLU HA 1 54 MET HB2 3.009 2.343 3.675 2.812 2.533 3.142 . 0 0 "[ . 1 . 2]" 1
539 1 51 GLU QB 1 52 GLY H 4.539 3.802 5.276 3.144 2.580 3.501 1.222 5 8 "[*** +- * 1 * . *]" 1
540 1 52 GLY H 1 52 GLY HA2 3.072 2.447 3.697 2.818 2.786 2.830 . 0 0 "[ . 1 . 2]" 1
541 1 52 GLY H 1 52 GLY HA3 2.786 2.104 3.468 2.308 2.303 2.314 . 0 0 "[ . 1 . 2]" 1
542 1 52 GLY HA2 1 53 ASP H 3.829 3.226 4.432 3.563 3.538 3.576 . 0 0 "[ . 1 . 2]" 1
543 1 52 GLY HA2 1 55 TYR H 3.685 2.962 4.408 3.621 3.440 3.837 . 0 0 "[ . 1 . 2]" 1
544 1 52 GLY HA3 1 53 ASP H 2.996 2.301 3.691 2.735 2.701 2.777 . 0 0 "[ . 1 . 2]" 1
545 1 53 ASP H 1 53 ASP HA 3.198 2.530 3.866 2.818 2.804 2.828 . 0 0 "[ . 1 . 2]" 1
546 1 53 ASP H 1 53 ASP HB3 2.835 2.198 3.472 2.601 2.464 3.615 0.143 6 0 "[ . 1 . 2]" 1
547 1 53 ASP H 1 55 TYR H 4.293 3.521 5.065 4.019 3.919 4.150 . 0 0 "[ . 1 . 2]" 1
548 1 53 ASP HB3 1 54 MET ME 3.760 2.947 4.573 4.187 3.749 4.569 . 0 0 "[ . 1 . 2]" 1
549 1 54 MET H 1 54 MET HA 3.210 2.558 3.862 2.822 2.798 2.842 . 0 0 "[ . 1 . 2]" 1
550 1 54 MET H 1 54 MET HB2 3.128 2.471 3.785 2.634 2.607 2.676 . 0 0 "[ . 1 . 2]" 1
551 1 54 MET H 1 54 MET HB3 4.159 3.503 4.815 3.649 3.638 3.659 . 0 0 "[ . 1 . 2]" 1
552 1 54 MET H 1 54 MET HG2 2.309 . 2.991 2.162 2.087 2.256 . 0 0 "[ . 1 . 2]" 1
553 1 54 MET H 1 55 TYR H 2.871 2.250 3.492 2.608 2.512 2.691 . 0 0 "[ . 1 . 2]" 1
554 1 54 MET HA 1 54 MET HG3 4.546 3.803 5.289 3.838 3.821 3.873 . 0 0 "[ . 1 . 2]" 1
555 1 54 MET HA 1 67 LEU MD1 3.057 2.389 3.725 2.804 2.549 3.347 . 0 0 "[ . 1 . 2]" 1
556 1 54 MET HB2 1 55 TYR H 3.067 2.375 3.759 2.714 2.658 2.776 . 0 0 "[ . 1 . 2]" 1
557 1 54 MET HB3 1 54 MET HG3 3.063 2.357 3.769 2.475 2.452 2.508 . 0 0 "[ . 1 . 2]" 1
558 1 54 MET HB3 1 55 TYR H 4.339 3.630 5.048 3.789 3.703 3.826 . 0 0 "[ . 1 . 2]" 1
559 1 54 MET ME 1 54 MET HG2 3.026 2.231 3.821 2.555 2.513 2.619 . 0 0 "[ . 1 . 2]" 1
560 1 54 MET ME 1 54 MET HG3 2.093 . 2.715 2.428 2.374 2.454 . 0 0 "[ . 1 . 2]" 1
561 1 54 MET ME 1 68 LEU HA 2.344 . 2.973 2.687 2.095 2.782 . 0 0 "[ . 1 . 2]" 1
562 1 54 MET ME 1 68 LEU MD2 4.000 . 5.500 2.998 2.121 3.489 . 0 0 "[ . 1 . 2]" 1
563 1 54 MET ME 1 71 LYS H 3.768 3.100 4.436 4.144 3.674 4.331 . 0 0 "[ . 1 . 2]" 1
564 1 54 MET HG3 1 68 LEU MD2 2.967 2.332 3.602 2.805 2.520 3.172 . 0 0 "[ . 1 . 2]" 1
565 1 54 MET HG3 1 68 LEU HG 2.861 2.033 3.689 2.684 2.523 2.890 . 0 0 "[ . 1 . 2]" 1
566 1 55 TYR H 1 55 TYR HA 3.083 2.469 3.697 2.729 2.708 2.753 . 0 0 "[ . 1 . 2]" 1
567 1 55 TYR H 1 55 TYR HB2 2.871 2.186 3.556 2.361 2.241 2.463 . 0 0 "[ . 1 . 2]" 1
568 1 55 TYR H 1 56 GLU H 3.065 2.455 3.675 3.006 2.927 3.100 . 0 0 "[ . 1 . 2]" 1
569 1 55 TYR H 1 58 ALA MB 4.515 3.684 5.346 3.927 3.781 4.202 . 0 0 "[ . 1 . 2]" 1
570 1 55 TYR H 1 64 TYR QE 4.933 4.138 5.728 4.494 4.279 5.009 . 0 0 "[ . 1 . 2]" 1
571 1 55 TYR HA 1 64 TYR QD 4.603 3.818 5.388 4.772 4.298 5.110 . 0 0 "[ . 1 . 2]" 1
572 1 55 TYR HB2 1 56 GLU H 4.364 3.691 5.037 3.952 3.754 4.101 . 0 0 "[ . 1 . 2]" 1
573 1 55 TYR HB3 1 55 TYR QE 4.990 4.198 5.782 4.402 4.394 4.412 . 0 0 "[ . 1 . 2]" 1
574 1 55 TYR QD 1 56 GLU H 5.201 4.415 5.987 4.440 4.338 4.637 0.077 12 0 "[ . 1 . 2]" 1
575 1 56 GLU H 1 56 GLU HA 3.060 2.415 3.705 2.869 2.855 2.882 . 0 0 "[ . 1 . 2]" 1
576 1 56 GLU H 1 56 GLU HB2 2.481 . 3.056 2.311 2.249 2.481 . 0 0 "[ . 1 . 2]" 1
577 1 56 GLU H 1 56 GLU HB3 4.109 3.441 4.777 3.601 3.558 3.644 . 0 0 "[ . 1 . 2]" 1
578 1 56 GLU H 1 56 GLU QG 4.222 3.562 4.882 3.513 2.387 3.731 1.175 12 1 "[ . 1 + . 2]" 1
579 1 56 GLU HA 1 56 GLU QG 3.756 3.098 4.414 2.351 2.270 2.948 0.828 8 19 "[******-+*** ********]" 1
580 1 56 GLU HB2 1 56 GLU QG 2.955 2.316 3.594 2.414 2.191 2.454 0.125 12 0 "[ . 1 . 2]" 1
581 1 56 GLU HB2 1 57 SER H 2.697 2.002 3.392 2.573 2.383 2.766 . 0 0 "[ . 1 . 2]" 1
582 1 56 GLU HB3 1 56 GLU QG 3.161 2.553 3.581 2.219 2.201 2.352 0.352 11 0 "[ . 1 . 2]" 1
583 1 57 SER H 1 57 SER HA 2.733 2.132 3.334 2.819 2.805 2.832 . 0 0 "[ . 1 . 2]" 1
584 1 57 SER H 1 57 SER QB 2.534 . 3.152 2.366 2.087 2.567 . 0 0 "[ . 1 . 2]" 1
585 1 57 SER H 1 58 ALA MB 4.558 3.767 5.349 4.176 4.105 4.242 . 0 0 "[ . 1 . 2]" 1
586 1 57 SER HA 1 58 ALA H 3.311 2.637 3.985 3.494 3.467 3.518 . 0 0 "[ . 1 . 2]" 1
587 1 57 SER QB 1 58 ALA H 2.617 . 3.304 2.587 2.495 2.692 . 0 0 "[ . 1 . 2]" 1
588 1 58 ALA H 1 58 ALA HA 2.679 2.001 3.357 2.743 2.689 2.771 . 0 0 "[ . 1 . 2]" 1
589 1 58 ALA H 1 58 ALA MB 2.153 . 2.734 2.178 2.164 2.195 . 0 0 "[ . 1 . 2]" 1
590 1 58 ALA H 1 59 ASN H 3.250 2.572 3.928 3.296 3.210 3.391 . 0 0 "[ . 1 . 2]" 1
591 1 58 ALA H 1 67 LEU MD1 3.413 2.697 4.129 3.406 2.855 3.880 . 0 0 "[ . 1 . 2]" 1
592 1 58 ALA HA 1 58 ALA MB 1.956 . 2.547 2.112 2.106 2.115 . 0 0 "[ . 1 . 2]" 1
593 1 58 ALA HA 1 59 ASN QB 5.158 4.369 5.947 4.886 4.827 4.954 . 0 0 "[ . 1 . 2]" 1
594 1 58 ALA HA 1 60 SER H 3.040 2.398 3.682 2.981 2.899 3.081 . 0 0 "[ . 1 . 2]" 1
595 1 58 ALA HA 1 67 LEU MD1 3.225 2.539 3.911 3.444 2.801 3.759 . 0 0 "[ . 1 . 2]" 1
596 1 58 ALA MB 1 59 ASN H 3.137 2.535 3.739 3.581 3.556 3.605 . 0 0 "[ . 1 . 2]" 1
597 1 58 ALA MB 1 64 TYR H 3.796 3.184 4.408 4.102 3.754 4.282 . 0 0 "[ . 1 . 2]" 1
598 1 58 ALA MB 1 64 TYR HA 3.185 2.550 3.820 3.042 2.659 3.428 . 0 0 "[ . 1 . 2]" 1
599 1 58 ALA MB 1 64 TYR HB2 2.442 . 3.099 2.467 2.138 2.770 . 0 0 "[ . 1 . 2]" 1
600 1 58 ALA MB 1 64 TYR HB3 3.592 2.926 4.258 3.773 3.617 3.944 . 0 0 "[ . 1 . 2]" 1
601 1 58 ALA MB 1 67 LEU MD1 4.000 . 5.000 3.423 2.624 4.044 . 0 0 "[ . 1 . 2]" 1
602 1 59 ASN H 1 59 ASN HA 3.278 2.626 3.930 2.886 2.849 2.930 . 0 0 "[ . 1 . 2]" 1
603 1 59 ASN H 1 60 SER H 2.746 2.113 3.379 2.606 2.358 2.969 . 0 0 "[ . 1 . 2]" 1
604 1 59 ASN H 1 63 GLU QB 3.661 3.006 4.316 4.002 3.802 4.106 . 0 0 "[ . 1 . 2]" 1
605 1 59 ASN HA 1 59 ASN QB 3.268 2.613 3.923 2.463 2.403 2.502 0.210 17 0 "[ . 1 . 2]" 1
606 1 59 ASN HA 1 60 SER H 3.262 2.596 3.928 3.208 2.971 3.358 . 0 0 "[ . 1 . 2]" 1
607 1 59 ASN QB 1 60 SER H 4.080 4.030 4.774 3.486 3.297 3.792 0.733 16 13 "[ * **** *-*** .+ **2]" 1
608 1 60 SER H 1 60 SER HA 3.241 2.608 3.874 2.902 2.857 2.937 . 0 0 "[ . 1 . 2]" 1
609 1 60 SER H 1 60 SER QB 4.062 3.435 4.689 2.933 2.644 3.296 0.791 11 13 "[- **. ****+** *** 2]" 1
610 1 60 SER H 1 61 ARG H 4.699 3.900 5.498 4.297 4.181 4.402 . 0 0 "[ . 1 . 2]" 1
611 1 60 SER H 1 61 ARG HA 4.492 3.688 5.296 4.767 4.498 4.970 . 0 0 "[ . 1 . 2]" 1
612 1 60 SER H 1 63 GLU H 4.844 4.074 5.614 4.406 4.266 4.587 . 0 0 "[ . 1 . 2]" 1
613 1 60 SER H 1 63 GLU QB 2.749 2.121 3.377 2.943 2.732 3.117 . 0 0 "[ . 1 . 2]" 1
614 1 60 SER HA 1 60 SER QB 2.671 2.042 3.300 2.298 2.188 2.390 . 0 0 "[ . 1 . 2]" 1
615 1 60 SER HA 1 61 ARG H 2.596 . 3.234 2.256 2.205 2.325 . 0 0 "[ . 1 . 2]" 1
616 1 60 SER HA 1 61 ARG HA 4.668 3.964 5.372 4.291 4.205 4.372 . 0 0 "[ . 1 . 2]" 1
617 1 60 SER HA 1 62 ASP H 4.722 3.986 5.458 4.470 4.260 4.595 . 0 0 "[ . 1 . 2]" 1
618 1 60 SER QB 1 61 ARG H 2.989 2.358 3.620 2.924 2.723 3.157 . 0 0 "[ . 1 . 2]" 1
619 1 61 ARG H 1 61 ARG HA 2.991 2.298 3.684 2.780 2.770 2.792 . 0 0 "[ . 1 . 2]" 1
620 1 61 ARG H 1 61 ARG HB2 2.482 . 3.118 2.462 2.248 2.567 . 0 0 "[ . 1 . 2]" 1
621 1 61 ARG H 1 61 ARG HB3 3.964 3.260 4.668 3.596 3.537 3.612 . 0 0 "[ . 1 . 2]" 1
622 1 61 ARG H 1 62 ASP H 2.803 2.164 3.442 2.872 2.793 2.932 . 0 0 "[ . 1 . 2]" 1
623 1 61 ARG H 1 62 ASP QB 5.421 4.597 6.245 4.621 4.542 4.714 0.055 14 0 "[ . 1 . 2]" 1
624 1 61 ARG HA 1 61 ARG HB3 2.545 . 3.152 2.529 2.471 2.680 . 0 0 "[ . 1 . 2]" 1
625 1 61 ARG HA 1 61 ARG QG 4.140 3.531 4.749 2.786 2.410 2.942 1.121 4 20 [**-+****************] 1
626 1 61 ARG HA 1 62 ASP H 3.596 2.935 4.257 3.551 3.536 3.563 . 0 0 "[ . 1 . 2]" 1
627 1 61 ARG HA 1 64 TYR H 3.286 2.619 3.953 3.744 3.608 3.809 . 0 0 "[ . 1 . 2]" 1
628 1 61 ARG HA 1 64 TYR HB2 3.819 2.994 4.644 3.541 3.191 3.716 . 0 0 "[ . 1 . 2]" 1
629 1 61 ARG HA 1 64 TYR HB3 3.759 2.976 4.542 3.406 3.238 3.704 . 0 0 "[ . 1 . 2]" 1
630 1 61 ARG HD2 1 61 ARG QG 3.211 2.535 3.887 2.338 2.168 2.369 0.367 4 0 "[ . 1 . 2]" 1
631 1 61 ARG HD2 1 64 TYR QD 4.791 4.078 5.504 4.363 4.195 5.810 0.306 4 0 "[ . 1 . 2]" 1
632 1 61 ARG HD3 1 61 ARG QG 2.500 . 3.135 2.181 2.169 2.340 . 0 0 "[ . 1 . 2]" 1
633 1 61 ARG HD3 1 64 TYR QD 5.720 5.013 6.427 5.690 4.916 5.980 0.097 4 0 "[ . 1 . 2]" 1
634 1 61 ARG QG 1 62 ASP H 4.813 4.158 5.468 4.071 3.929 4.457 0.229 3 0 "[ . 1 . 2]" 1
635 1 62 ASP H 1 62 ASP HA 3.065 2.421 3.709 2.807 2.796 2.818 . 0 0 "[ . 1 . 2]" 1
636 1 62 ASP H 1 62 ASP QB 2.604 2.030 3.178 2.265 2.240 2.288 . 0 0 "[ . 1 . 2]" 1
637 1 62 ASP H 1 63 GLU H 2.702 2.071 3.333 2.691 2.634 2.770 . 0 0 "[ . 1 . 2]" 1
638 1 62 ASP HA 1 63 GLU H 3.858 3.177 4.539 3.521 3.501 3.549 . 0 0 "[ . 1 . 2]" 1
639 1 62 ASP HA 1 64 TYR H 4.125 3.386 4.864 4.495 4.335 4.621 . 0 0 "[ . 1 . 2]" 1
640 1 62 ASP HA 1 65 TYR H 3.790 3.149 4.431 3.758 3.621 3.975 . 0 0 "[ . 1 . 2]" 1
641 1 62 ASP QB 1 63 GLU H 2.739 2.079 3.399 2.576 2.494 2.647 . 0 0 "[ . 1 . 2]" 1
642 1 62 ASP QB 1 63 GLU HA 4.126 3.410 4.842 4.110 4.031 4.234 . 0 0 "[ . 1 . 2]" 1
643 1 63 GLU H 1 63 GLU HA 2.985 2.314 3.656 2.804 2.778 2.822 . 0 0 "[ . 1 . 2]" 1
644 1 63 GLU H 1 63 GLU QB 2.560 . 3.148 2.230 2.176 2.264 . 0 0 "[ . 1 . 2]" 1
645 1 63 GLU H 1 63 GLU HG3 5.194 4.386 6.002 4.459 4.285 4.535 0.101 8 0 "[ . 1 . 2]" 1
646 1 63 GLU H 1 64 TYR H 2.884 2.196 3.572 2.708 2.643 2.801 . 0 0 "[ . 1 . 2]" 1
647 1 63 GLU HA 1 63 GLU QB 2.828 2.243 3.413 2.412 2.385 2.443 . 0 0 "[ . 1 . 2]" 1
648 1 63 GLU HA 1 66 HIS QB 3.074 2.390 3.758 2.656 2.476 2.940 . 0 0 "[ . 1 . 2]" 1
649 1 63 GLU QB 1 63 GLU HG2 2.500 . 3.176 2.206 2.153 2.305 . 0 0 "[ . 1 . 2]" 1
650 1 63 GLU QB 1 63 GLU HG3 2.838 2.145 3.531 2.383 2.341 2.418 . 0 0 "[ . 1 . 2]" 1
651 1 63 GLU QB 1 64 TYR H 2.680 2.065 3.295 2.449 2.326 2.553 . 0 0 "[ . 1 . 2]" 1
652 1 63 GLU HG2 1 64 TYR HA 4.685 3.827 5.543 4.783 3.916 5.351 . 0 0 "[ . 1 . 2]" 1
653 1 63 GLU HG2 1 67 LEU MD1 3.187 2.520 3.854 2.867 2.150 3.450 0.370 6 0 "[ . 1 . 2]" 1
654 1 63 GLU HG3 1 67 LEU MD2 3.093 2.473 3.713 3.198 2.729 3.767 0.054 13 0 "[ . 1 . 2]" 1
655 1 64 TYR H 1 64 TYR HA 2.949 2.270 3.628 2.777 2.766 2.789 . 0 0 "[ . 1 . 2]" 1
656 1 64 TYR H 1 64 TYR HB2 2.726 2.121 3.331 2.336 2.235 2.446 . 0 0 "[ . 1 . 2]" 1
657 1 64 TYR H 1 64 TYR HB3 3.177 2.494 3.860 2.747 2.656 2.893 . 0 0 "[ . 1 . 2]" 1
658 1 64 TYR H 1 65 TYR H 2.910 2.225 3.595 2.889 2.831 2.948 . 0 0 "[ . 1 . 2]" 1
659 1 64 TYR H 1 66 HIS H 4.633 3.764 5.502 4.085 4.004 4.179 . 0 0 "[ . 1 . 2]" 1
660 1 64 TYR HA 1 67 LEU HB3 5.056 4.186 5.926 4.992 4.638 5.178 . 0 0 "[ . 1 . 2]" 1
661 1 64 TYR HB3 1 64 TYR QE 4.898 4.077 5.719 4.439 4.392 4.495 . 0 0 "[ . 1 . 2]" 1
662 1 64 TYR HB3 1 65 TYR H 2.661 2.006 3.316 2.474 2.420 2.554 . 0 0 "[ . 1 . 2]" 1
663 1 64 TYR QD 1 65 TYR H 4.703 4.022 5.384 4.232 4.160 4.304 . 0 0 "[ . 1 . 2]" 1
664 1 65 TYR H 1 65 TYR HA 3.099 2.443 3.755 2.798 2.780 2.831 . 0 0 "[ . 1 . 2]" 1
665 1 65 TYR H 1 65 TYR HB3 2.816 2.200 3.432 3.369 2.444 3.497 0.065 18 0 "[ . 1 . 2]" 1
666 1 65 TYR H 1 66 HIS H 2.922 2.236 3.608 2.599 2.485 2.660 . 0 0 "[ . 1 . 2]" 1
667 1 65 TYR H 1 67 LEU H 4.537 3.689 5.385 4.344 4.183 4.470 . 0 0 "[ . 1 . 2]" 1
668 1 65 TYR HA 1 66 HIS H 3.203 2.573 3.833 3.515 3.479 3.542 . 0 0 "[ . 1 . 2]" 1
669 1 65 TYR HB2 1 66 HIS H 2.785 2.145 3.425 2.969 2.674 3.993 0.568 2 1 "[ + . 1 . 2]" 1
670 1 65 TYR HB3 1 66 HIS H 4.247 3.432 5.062 3.531 2.758 3.788 0.674 1 2 "[+- . 1 . 2]" 1
671 1 66 HIS H 1 66 HIS HA 2.981 2.342 3.620 2.850 2.841 2.859 . 0 0 "[ . 1 . 2]" 1
672 1 66 HIS H 1 66 HIS QB 2.473 . 3.055 2.211 2.075 2.286 . 0 0 "[ . 1 . 2]" 1
673 1 66 HIS H 1 67 LEU H 2.791 2.118 3.464 2.546 2.486 2.610 . 0 0 "[ . 1 . 2]" 1
674 1 66 HIS HA 1 67 LEU H 3.828 3.120 4.536 3.528 3.510 3.546 . 0 0 "[ . 1 . 2]" 1
675 1 66 HIS HA 1 69 ALA MB 2.471 . 3.095 2.673 2.445 2.807 . 0 0 "[ . 1 . 2]" 1
676 1 66 HIS QB 1 67 LEU H 2.713 2.030 3.396 2.560 2.364 2.744 . 0 0 "[ . 1 . 2]" 1
677 1 67 LEU H 1 67 LEU HA 2.820 2.167 3.473 2.801 2.781 2.818 . 0 0 "[ . 1 . 2]" 1
678 1 67 LEU H 1 67 LEU HB2 2.619 2.013 3.225 2.500 2.368 2.554 . 0 0 "[ . 1 . 2]" 1
679 1 67 LEU H 1 67 LEU MD1 3.553 2.901 4.205 3.472 3.329 3.598 . 0 0 "[ . 1 . 2]" 1
680 1 67 LEU H 1 67 LEU MD2 3.665 3.046 4.284 3.329 3.205 3.642 . 0 0 "[ . 1 . 2]" 1
681 1 67 LEU H 1 67 LEU HG 2.360 . 2.975 2.162 2.016 2.448 . 0 0 "[ . 1 . 2]" 1
682 1 67 LEU H 1 68 LEU H 2.828 2.138 3.518 2.780 2.721 2.855 . 0 0 "[ . 1 . 2]" 1
683 1 67 LEU HA 1 67 LEU MD2 2.288 . 2.853 2.098 2.030 2.176 . 0 0 "[ . 1 . 2]" 1
684 1 67 LEU HA 1 67 LEU HG 3.068 2.451 3.685 3.048 2.858 3.129 . 0 0 "[ . 1 . 2]" 1
685 1 67 LEU HB3 1 67 LEU MD1 2.351 . 2.937 2.422 2.375 2.490 . 0 0 "[ . 1 . 2]" 1
686 1 67 LEU HB3 1 67 LEU MD2 2.448 . 3.050 2.319 2.257 2.365 . 0 0 "[ . 1 . 2]" 1
687 1 67 LEU HB3 1 67 LEU HG 2.735 2.104 3.366 3.016 3.007 3.019 . 0 0 "[ . 1 . 2]" 1
688 1 67 LEU HB3 1 68 LEU H 3.542 2.874 4.210 3.421 3.200 3.491 . 0 0 "[ . 1 . 2]" 1
689 1 67 LEU MD1 1 67 LEU HG 1.906 . 2.513 2.125 2.122 2.129 . 0 0 "[ . 1 . 2]" 1
690 1 67 LEU MD1 1 68 LEU H 4.411 3.651 5.171 4.205 4.089 4.325 . 0 0 "[ . 1 . 2]" 1
691 1 67 LEU MD2 1 67 LEU HG 1.905 . 2.516 2.129 2.126 2.131 . 0 0 "[ . 1 . 2]" 1
692 1 67 LEU MD2 1 68 LEU H 4.790 4.063 5.517 4.615 4.580 4.647 . 0 0 "[ . 1 . 2]" 1
693 1 68 LEU H 1 68 LEU HA 2.910 2.219 3.601 2.808 2.796 2.823 . 0 0 "[ . 1 . 2]" 1
694 1 68 LEU H 1 68 LEU HB2 2.290 . 2.908 2.365 2.338 2.388 . 0 0 "[ . 1 . 2]" 1
695 1 68 LEU H 1 68 LEU HB3 3.894 3.284 4.504 3.567 3.554 3.575 . 0 0 "[ . 1 . 2]" 1
696 1 68 LEU H 1 68 LEU MD1 3.441 2.711 4.171 3.102 2.925 3.234 . 0 0 "[ . 1 . 2]" 1
697 1 68 LEU H 1 68 LEU MD2 4.208 3.528 4.888 3.920 3.843 4.026 . 0 0 "[ . 1 . 2]" 1
698 1 68 LEU H 1 69 ALA H 2.747 2.096 3.398 2.744 2.712 2.777 . 0 0 "[ . 1 . 2]" 1
699 1 68 LEU HA 1 68 LEU HB2 2.981 2.327 3.635 3.009 3.003 3.015 . 0 0 "[ . 1 . 2]" 1
700 1 68 LEU HA 1 68 LEU HB3 2.811 2.204 3.418 2.548 2.530 2.573 . 0 0 "[ . 1 . 2]" 1
701 1 68 LEU HA 1 68 LEU MD1 4.024 3.323 4.725 3.833 3.797 3.842 . 0 0 "[ . 1 . 2]" 1
702 1 68 LEU HA 1 68 LEU MD2 2.547 . 3.135 2.397 2.286 2.602 . 0 0 "[ . 1 . 2]" 1
703 1 68 LEU HA 1 68 LEU HG 2.281 . 2.903 2.617 2.520 2.642 . 0 0 "[ . 1 . 2]" 1
704 1 68 LEU HA 1 71 LYS H 3.570 2.838 4.302 3.551 3.284 3.809 . 0 0 "[ . 1 . 2]" 1
705 1 68 LEU HB2 1 68 LEU MD1 2.498 . 3.159 2.187 2.155 2.207 . 0 0 "[ . 1 . 2]" 1
706 1 68 LEU HB2 1 69 ALA H 3.091 2.413 3.769 2.598 2.544 2.687 . 0 0 "[ . 1 . 2]" 1
707 1 68 LEU HB3 1 68 LEU MD1 2.875 2.198 3.552 2.619 2.562 2.710 . 0 0 "[ . 1 . 2]" 1
708 1 68 LEU HB3 1 68 LEU MD2 2.231 . 2.895 2.204 2.174 2.229 . 0 0 "[ . 1 . 2]" 1
709 1 68 LEU HB3 1 69 ALA H 4.010 3.258 4.762 3.441 3.411 3.513 . 0 0 "[ . 1 . 2]" 1
710 1 68 LEU MD1 1 68 LEU MD2 2.116 . 2.727 2.067 2.061 2.072 . 0 0 "[ . 1 . 2]" 1
711 1 68 LEU MD1 1 68 LEU HG 1.853 . 2.471 2.121 2.116 2.127 . 0 0 "[ . 1 . 2]" 1
712 1 68 LEU MD1 1 69 ALA H 4.363 3.636 5.090 4.289 4.214 4.397 . 0 0 "[ . 1 . 2]" 1
713 1 68 LEU MD2 1 68 LEU HG 1.825 . 2.431 2.130 2.129 2.132 . 0 0 "[ . 1 . 2]" 1
714 1 69 ALA H 1 69 ALA HA 2.821 2.165 3.477 2.788 2.774 2.809 . 0 0 "[ . 1 . 2]" 1
715 1 69 ALA H 1 70 GLU H 3.392 2.659 4.125 2.793 2.748 2.848 . 0 0 "[ . 1 . 2]" 1
716 1 69 ALA HA 1 69 ALA MB 2.059 . 2.627 2.126 2.123 2.130 . 0 0 "[ . 1 . 2]" 1
717 1 69 ALA HA 1 70 GLU H 3.366 2.726 4.006 3.543 3.528 3.557 . 0 0 "[ . 1 . 2]" 1
718 1 69 ALA HA 1 72 ILE H 3.541 2.829 4.253 3.535 3.263 3.784 . 0 0 "[ . 1 . 2]" 1
719 1 69 ALA HA 1 72 ILE HB 3.002 2.345 3.659 2.935 2.657 3.294 . 0 0 "[ . 1 . 2]" 1
720 1 69 ALA HA 1 72 ILE MD 2.775 2.094 3.456 2.625 2.369 3.148 . 0 0 "[ . 1 . 2]" 1
721 1 69 ALA MB 1 70 GLU H 2.446 . 3.087 2.446 2.342 2.533 . 0 0 "[ . 1 . 2]" 1
722 1 69 ALA MB 1 71 LYS H 4.162 3.411 4.913 4.527 4.387 4.665 . 0 0 "[ . 1 . 2]" 1
723 1 69 ALA MB 1 72 ILE H 4.181 3.405 4.957 4.642 4.444 4.826 . 0 0 "[ . 1 . 2]" 1
724 1 70 GLU H 1 70 GLU HA 2.992 2.352 3.632 2.810 2.792 2.827 . 0 0 "[ . 1 . 2]" 1
725 1 70 GLU H 1 70 GLU HB2 3.503 2.821 4.185 2.857 2.769 2.919 0.052 8 0 "[ . 1 . 2]" 1
726 1 70 GLU H 1 70 GLU HB3 2.188 . 2.746 2.372 2.294 2.456 . 0 0 "[ . 1 . 2]" 1
727 1 70 GLU H 1 70 GLU HG2 4.877 4.226 5.528 4.328 4.239 4.622 . 0 0 "[ . 1 . 2]" 1
728 1 70 GLU H 1 70 GLU HG3 4.350 3.738 4.962 4.580 4.395 4.657 . 0 0 "[ . 1 . 2]" 1
729 1 70 GLU H 1 71 LYS H 2.841 2.170 3.512 2.737 2.615 2.815 . 0 0 "[ . 1 . 2]" 1
730 1 70 GLU HA 1 70 GLU HB3 3.111 2.516 3.706 3.008 2.993 3.032 . 0 0 "[ . 1 . 2]" 1
731 1 70 GLU HB3 1 71 LYS H 2.418 . 2.991 2.707 2.602 2.758 . 0 0 "[ . 1 . 2]" 1
732 1 70 GLU HG2 1 74 LYS QE 3.422 2.659 4.185 3.491 2.942 4.365 0.180 13 0 "[ . 1 . 2]" 1
733 1 71 LYS H 1 71 LYS HA 2.820 2.132 3.508 2.816 2.789 2.831 . 0 0 "[ . 1 . 2]" 1
734 1 71 LYS H 1 72 ILE H 3.104 2.412 3.796 2.680 2.613 2.751 . 0 0 "[ . 1 . 2]" 1
735 1 72 ILE H 1 72 ILE HA 3.283 2.597 3.969 2.820 2.802 2.837 . 0 0 "[ . 1 . 2]" 1
736 1 72 ILE H 1 72 ILE HB 2.433 . 3.056 2.537 2.439 2.683 . 0 0 "[ . 1 . 2]" 1
737 1 72 ILE H 1 72 ILE MD 3.822 3.190 4.454 3.595 3.539 3.681 . 0 0 "[ . 1 . 2]" 1
738 1 72 ILE H 1 72 ILE MG 3.408 2.761 4.055 3.770 3.749 3.785 . 0 0 "[ . 1 . 2]" 1
739 1 72 ILE HA 1 72 ILE HB 3.731 2.928 4.534 3.036 3.033 3.038 . 0 0 "[ . 1 . 2]" 1
740 1 72 ILE HA 1 72 ILE MD 4.072 3.404 4.740 3.828 3.795 3.862 . 0 0 "[ . 1 . 2]" 1
741 1 72 ILE HA 1 72 ILE MG 2.394 . 3.018 2.424 2.346 2.498 . 0 0 "[ . 1 . 2]" 1
742 1 72 ILE HA 1 75 ILE H 3.880 3.074 4.686 3.494 3.366 3.908 . 0 0 "[ . 1 . 2]" 1
743 1 72 ILE HA 1 75 ILE HB 3.070 2.359 3.781 2.830 2.493 3.336 . 0 0 "[ . 1 . 2]" 1
744 1 72 ILE HA 1 75 ILE MG 3.843 3.129 4.557 3.658 3.296 4.075 . 0 0 "[ . 1 . 2]" 1
745 1 72 ILE HA 1 76 GLN H 4.604 3.774 5.434 4.408 4.058 4.766 . 0 0 "[ . 1 . 2]" 1
746 1 72 ILE HB 1 72 ILE MD 2.173 . 2.758 2.433 2.416 2.463 . 0 0 "[ . 1 . 2]" 1
747 1 72 ILE HB 1 72 ILE MG 1.904 . 2.488 2.132 2.128 2.135 . 0 0 "[ . 1 . 2]" 1
748 1 72 ILE HB 1 73 TYR H 2.357 . 2.953 2.606 2.430 2.688 . 0 0 "[ . 1 . 2]" 1
749 1 72 ILE MD 1 72 ILE MG 3.000 . 4.500 1.940 1.910 1.977 . 0 0 "[ . 1 . 2]" 1
750 1 72 ILE MG 1 73 TYR H 3.279 2.655 3.903 3.399 3.193 3.644 . 0 0 "[ . 1 . 2]" 1
751 1 72 ILE MG 1 73 TYR HA 3.435 2.704 4.166 3.434 3.196 3.797 . 0 0 "[ . 1 . 2]" 1
752 1 72 ILE MG 1 76 GLN H 3.971 3.161 4.781 4.169 3.858 4.562 . 0 0 "[ . 1 . 2]" 1
753 1 72 ILE MG 1 76 GLN HE21 3.323 2.575 4.071 3.149 2.661 3.922 . 0 0 "[ . 1 . 2]" 1
754 1 72 ILE MG 1 76 GLN HE22 3.803 3.028 4.578 3.683 3.249 4.346 . 0 0 "[ . 1 . 2]" 1
755 1 72 ILE MG 1 76 GLN HG2 3.567 2.910 4.224 3.802 3.505 4.085 . 0 0 "[ . 1 . 2]" 1
756 1 72 ILE MG 1 76 GLN HG3 2.811 2.167 3.455 2.742 2.446 3.257 . 0 0 "[ . 1 . 2]" 1
757 1 73 TYR H 1 73 TYR HB2 2.847 2.238 3.456 2.416 2.286 2.650 . 0 0 "[ . 1 . 2]" 1
758 1 73 TYR H 1 73 TYR HB3 3.230 2.594 3.866 2.883 2.750 3.593 . 0 0 "[ . 1 . 2]" 1
759 1 73 TYR HB2 1 74 LYS H 4.078 3.407 4.749 3.756 2.746 3.951 0.661 14 1 "[ . 1 +. 2]" 1
760 1 73 TYR HB3 1 73 TYR QE 4.658 3.946 5.370 4.413 4.394 4.508 . 0 0 "[ . 1 . 2]" 1
761 1 73 TYR HB3 1 74 LYS H 3.141 2.454 3.828 2.835 2.717 3.816 . 0 0 "[ . 1 . 2]" 1
762 1 74 LYS H 1 74 LYS HA 3.018 2.398 3.638 2.791 2.764 2.810 . 0 0 "[ . 1 . 2]" 1
763 1 74 LYS H 1 74 LYS HD2 4.843 4.181 5.505 4.909 4.515 5.597 0.092 1 0 "[ . 1 . 2]" 1
764 1 74 LYS H 1 75 ILE H 2.773 2.083 3.463 2.761 2.662 2.819 . 0 0 "[ . 1 . 2]" 1
765 1 74 LYS HA 1 74 LYS HD2 3.185 2.542 3.828 3.149 2.837 3.517 . 0 0 "[ . 1 . 2]" 1
766 1 74 LYS HA 1 74 LYS HD3 2.252 . 2.883 2.031 1.909 2.174 . 0 0 "[ . 1 . 2]" 1
767 1 74 LYS HA 1 75 ILE H 3.898 3.118 4.678 3.541 3.505 3.565 . 0 0 "[ . 1 . 2]" 1
768 1 74 LYS HA 1 77 LYS H 3.447 2.752 4.142 3.523 3.209 3.783 . 0 0 "[ . 1 . 2]" 1
769 1 74 LYS HA 2 5 ILE MG 4.912 4.141 5.683 4.439 4.212 5.347 . 0 0 "[ . 1 . 2]" 1
770 1 74 LYS HD2 1 75 ILE H 5.955 5.144 6.766 5.667 5.481 6.099 . 0 0 "[ . 1 . 2]" 1
771 1 74 LYS HD2 2 5 ILE MD 2.889 2.206 3.572 3.164 2.790 3.382 . 0 0 "[ . 1 . 2]" 1
772 1 74 LYS QE 2 5 ILE MD 4.210 3.454 4.966 3.890 3.393 4.343 0.061 19 0 "[ . 1 . 2]" 1
773 1 75 ILE H 1 75 ILE HA 3.328 2.638 4.018 2.808 2.787 2.821 . 0 0 "[ . 1 . 2]" 1
774 1 75 ILE H 1 75 ILE HB 2.266 . 2.871 2.170 2.064 2.474 . 0 0 "[ . 1 . 2]" 1
775 1 75 ILE H 1 75 ILE MD 4.006 3.344 4.668 3.914 3.422 4.155 . 0 0 "[ . 1 . 2]" 1
776 1 75 ILE H 1 75 ILE MG 3.581 2.863 4.299 3.489 3.285 3.752 . 0 0 "[ . 1 . 2]" 1
777 1 75 ILE HA 1 75 ILE HB 3.037 2.351 3.723 2.905 2.821 3.022 . 0 0 "[ . 1 . 2]" 1
778 1 75 ILE HA 1 75 ILE MG 2.619 . 3.275 2.845 2.452 3.003 . 0 0 "[ . 1 . 2]" 1
779 1 75 ILE HA 1 76 GLN H 4.098 3.253 4.943 3.522 3.496 3.560 . 0 0 "[ . 1 . 2]" 1
780 1 75 ILE HA 1 78 GLU H 3.756 3.006 4.506 3.327 3.176 3.552 . 0 0 "[ . 1 . 2]" 1
781 1 75 ILE HA 1 78 GLU HB2 2.988 2.346 3.630 2.574 2.445 2.813 . 0 0 "[ . 1 . 2]" 1
782 1 75 ILE HB 1 75 ILE MD 2.180 . 2.740 2.402 2.362 2.469 . 0 0 "[ . 1 . 2]" 1
783 1 75 ILE HB 1 75 ILE MG 1.837 . 2.418 2.133 2.118 2.137 . 0 0 "[ . 1 . 2]" 1
784 1 75 ILE HB 2 6 LEU QD 2.393 . 3.065 2.917 2.751 3.730 0.665 19 2 "[- . 1 . +2]" 1
785 1 75 ILE MD 1 75 ILE MG 3.000 . 4.500 1.845 1.760 2.047 0.040 8 0 "[ . 1 . 2]" 1
786 1 75 ILE MG 1 76 GLN H 2.966 2.360 3.572 2.825 2.699 3.346 . 0 0 "[ . 1 . 2]" 1
787 1 75 ILE MG 1 76 GLN HA 2.892 2.253 3.531 2.983 2.826 3.280 . 0 0 "[ . 1 . 2]" 1
788 1 75 ILE MG 1 76 GLN HG3 3.328 2.672 3.984 3.109 2.818 3.821 . 0 0 "[ . 1 . 2]" 1
789 1 75 ILE MG 1 79 LEU MD1 4.000 . 5.500 2.431 2.052 2.875 . 0 0 "[ . 1 . 2]" 1
790 1 76 GLN H 1 76 GLN HA 3.167 2.535 3.799 2.852 2.803 2.873 . 0 0 "[ . 1 . 2]" 1
791 1 76 GLN H 1 76 GLN HB2 3.130 2.439 3.821 2.504 2.465 2.555 . 0 0 "[ . 1 . 2]" 1
792 1 76 GLN H 1 76 GLN HB3 3.756 3.096 4.416 3.648 3.625 3.664 . 0 0 "[ . 1 . 2]" 1
793 1 76 GLN H 1 76 GLN HG2 4.002 3.355 4.649 3.585 3.465 3.737 . 0 0 "[ . 1 . 2]" 1
794 1 76 GLN H 1 76 GLN HG3 3.088 2.394 3.782 2.509 2.485 2.554 . 0 0 "[ . 1 . 2]" 1
795 1 76 GLN H 1 77 LYS H 2.626 . 3.269 2.525 2.405 2.722 . 0 0 "[ . 1 . 2]" 1
796 1 76 GLN HA 1 79 LEU H 3.751 2.979 4.523 3.470 3.133 3.827 . 0 0 "[ . 1 . 2]" 1
797 1 76 GLN HB2 1 77 LYS H 2.721 2.073 3.369 2.724 2.659 2.811 . 0 0 "[ . 1 . 2]" 1
798 1 76 GLN HB3 1 76 GLN HG2 3.001 2.388 3.614 2.490 2.422 2.525 . 0 0 "[ . 1 . 2]" 1
799 1 76 GLN HB3 1 77 LYS H 4.068 3.353 4.783 3.659 3.589 3.716 . 0 0 "[ . 1 . 2]" 1
800 1 76 GLN HE22 1 76 GLN HG2 4.010 3.237 4.783 3.709 3.470 4.067 . 0 0 "[ . 1 . 2]" 1
801 1 77 LYS H 1 77 LYS HA 2.497 . 3.072 2.820 2.788 2.831 . 0 0 "[ . 1 . 2]" 1
802 1 78 GLU H 1 78 GLU HA 2.759 2.148 3.370 2.807 2.785 2.829 . 0 0 "[ . 1 . 2]" 1
803 1 78 GLU H 1 78 GLU HB2 2.228 . 2.786 2.417 2.240 2.498 . 0 0 "[ . 1 . 2]" 1
804 1 78 GLU H 1 78 GLU QG 2.778 2.085 3.471 2.383 2.296 2.728 . 0 0 "[ . 1 . 2]" 1
805 1 78 GLU H 1 79 LEU H 2.499 . 3.114 2.732 2.647 2.810 . 0 0 "[ . 1 . 2]" 1
806 1 78 GLU HA 1 78 GLU HB2 2.822 2.262 3.382 3.013 2.978 3.024 . 0 0 "[ . 1 . 2]" 1
807 1 78 GLU HA 1 78 GLU HB3 2.406 . 2.963 2.530 2.484 2.622 . 0 0 "[ . 1 . 2]" 1
808 1 78 GLU HA 1 78 GLU QG 3.081 2.472 3.690 2.743 2.194 3.020 0.278 15 0 "[ . 1 . 2]" 1
809 1 78 GLU HB2 1 79 LEU H 2.703 2.060 3.346 2.573 2.432 2.718 . 0 0 "[ . 1 . 2]" 1
810 1 78 GLU QG 1 79 LEU H 4.653 3.952 5.354 4.115 3.991 4.265 . 0 0 "[ . 1 . 2]" 1
811 1 79 LEU H 1 79 LEU HA 2.614 . 3.274 2.797 2.777 2.813 . 0 0 "[ . 1 . 2]" 1
812 1 79 LEU H 1 79 LEU HB2 2.605 . 3.264 2.553 2.468 2.658 . 0 0 "[ . 1 . 2]" 1
813 1 79 LEU H 1 79 LEU HB3 3.937 3.294 4.580 3.601 3.582 3.618 . 0 0 "[ . 1 . 2]" 1
814 1 79 LEU H 1 79 LEU MD1 3.747 3.112 4.382 3.599 3.539 3.701 . 0 0 "[ . 1 . 2]" 1
815 1 79 LEU H 1 79 LEU MD2 3.355 2.747 3.963 3.202 2.966 3.382 . 0 0 "[ . 1 . 2]" 1
816 1 79 LEU H 1 79 LEU HG 2.376 . 3.067 2.189 2.073 2.326 . 0 0 "[ . 1 . 2]" 1
817 1 79 LEU H 1 80 GLU H 2.573 . 3.209 2.748 2.647 2.873 . 0 0 "[ . 1 . 2]" 1
818 1 79 LEU HA 1 79 LEU HB2 3.123 2.482 3.764 3.020 3.015 3.024 . 0 0 "[ . 1 . 2]" 1
819 1 79 LEU HA 1 79 LEU HB3 2.578 . 3.221 2.466 2.424 2.502 . 0 0 "[ . 1 . 2]" 1
820 1 79 LEU HA 1 79 LEU MD2 2.093 . 2.695 2.056 1.990 2.127 . 0 0 "[ . 1 . 2]" 1
821 1 79 LEU HB2 1 79 LEU MD1 2.315 . 2.937 2.318 2.241 2.370 . 0 0 "[ . 1 . 2]" 1
822 1 79 LEU HB2 1 79 LEU MD2 3.393 2.752 4.034 3.198 3.191 3.205 . 0 0 "[ . 1 . 2]" 1
823 1 79 LEU HB2 1 79 LEU HG 2.856 2.172 3.540 2.470 2.437 2.498 . 0 0 "[ . 1 . 2]" 1
824 1 79 LEU HB2 1 80 GLU H 2.986 2.309 3.663 2.530 2.462 2.657 . 0 0 "[ . 1 . 2]" 1
825 1 79 LEU HB3 1 79 LEU MD1 2.576 . 3.252 2.380 2.334 2.423 . 0 0 "[ . 1 . 2]" 1
826 1 79 LEU HB3 1 79 LEU MD2 2.441 . 3.109 2.363 2.320 2.413 . 0 0 "[ . 1 . 2]" 1
827 1 79 LEU HB3 1 80 GLU H 4.151 3.439 4.863 3.604 3.549 3.665 . 0 0 "[ . 1 . 2]" 1
828 1 79 LEU MD1 1 79 LEU HG 2.013 . 2.662 2.125 2.122 2.128 . 0 0 "[ . 1 . 2]" 1
829 1 79 LEU MD1 1 80 GLU H 4.539 3.800 5.278 4.427 4.295 4.603 . 0 0 "[ . 1 . 2]" 1
830 1 79 LEU MD2 1 79 LEU HG 1.818 . 2.408 2.127 2.124 2.129 . 0 0 "[ . 1 . 2]" 1
831 1 80 GLU H 1 80 GLU HA 2.573 2.017 3.129 2.820 2.800 2.833 . 0 0 "[ . 1 . 2]" 1
832 1 82 LYS H 1 82 LYS HA 2.897 2.244 3.550 2.823 2.777 2.854 . 0 0 "[ . 1 . 2]" 1
833 1 82 LYS H 1 82 LYS QG 2.342 . 3.020 2.230 1.937 2.671 . 0 0 "[ . 1 . 2]" 1
834 1 82 LYS HA 1 82 LYS QG 4.051 3.390 4.712 3.188 2.328 3.463 1.062 12 2 "[ . 1 +- . 2]" 1
835 1 82 LYS HA 1 83 ARG H 3.568 2.948 4.188 3.540 3.488 3.569 . 0 0 "[ . 1 . 2]" 1
836 1 82 LYS QE 1 82 LYS QG 3.712 3.066 4.358 2.376 2.163 2.811 0.903 11 18 "[******** -+* *******]" 1
837 1 83 ARG H 1 83 ARG HA 2.332 . 2.943 2.807 2.759 2.838 . 0 0 "[ . 1 . 2]" 1
838 1 83 ARG H 1 84 ARG H 2.604 . 3.233 2.456 2.267 2.696 . 0 0 "[ . 1 . 2]" 1
839 1 83 ARG HA 1 84 ARG H 2.549 . 3.179 3.292 3.126 3.374 0.195 4 0 "[ . 1 . 2]" 1
840 1 84 ARG H 1 84 ARG HA 2.679 2.060 3.298 2.784 2.673 2.877 . 0 0 "[ . 1 . 2]" 1
841 1 84 ARG HA 1 85 SER H 3.130 2.486 3.774 3.501 3.416 3.555 . 0 0 "[ . 1 . 2]" 1
842 1 84 ARG QB 1 85 SER H 2.399 . 3.032 2.716 2.602 2.823 . 0 0 "[ . 1 . 2]" 1
843 1 85 SER H 1 85 SER HA 2.873 2.257 3.489 2.915 2.789 2.955 . 0 0 "[ . 1 . 2]" 1
844 1 85 SER H 1 85 SER QB 2.438 . 3.018 2.446 2.232 2.793 . 0 0 "[ . 1 . 2]" 1
845 1 85 SER HA 1 85 SER QB 3.276 2.663 3.889 2.333 2.196 2.421 0.467 16 0 "[ . 1 . 2]" 1
846 1 85 SER QB 1 86 ARG H 3.577 2.940 4.214 3.177 2.703 3.602 0.237 12 0 "[ . 1 . 2]" 1
847 1 86 ARG H 1 86 ARG HA 2.432 . 3.020 2.638 2.251 2.899 . 0 0 "[ . 1 . 2]" 1
848 1 86 ARG HA 1 87 LEU H 2.320 . 2.908 2.328 2.073 2.628 . 0 0 "[ . 1 . 2]" 1
849 1 87 LEU H 1 87 LEU HA 2.830 2.152 3.508 2.718 2.277 2.946 . 0 0 "[ . 1 . 2]" 1
850 1 87 LEU H 1 87 LEU HB2 2.878 2.249 3.507 2.780 2.435 3.498 . 0 0 "[ . 1 . 2]" 1
851 1 87 LEU H 1 87 LEU HB3 3.734 3.109 4.359 3.778 3.568 4.134 . 0 0 "[ . 1 . 2]" 1
852 1 87 LEU HA 1 87 LEU HB3 3.014 2.413 3.615 2.510 2.462 2.576 . 0 0 "[ . 1 . 2]" 1
853 2 1 ASP H1 2 1 ASP HA 2.559 . 3.133 2.728 2.259 2.943 . 0 0 "[ . 1 . 2]" 1
854 2 1 ASP H1 2 1 ASP HB2 2.864 2.255 3.473 2.803 2.488 3.320 . 0 0 "[ . 1 . 2]" 1
855 2 1 ASP H1 2 1 ASP HB3 4.284 3.605 4.963 3.807 3.670 4.098 . 0 0 "[ . 1 . 2]" 1
856 2 1 ASP HA 2 1 ASP HB2 3.584 2.935 4.233 2.993 2.652 3.043 0.283 4 0 "[ . 1 . 2]" 1
857 2 2 ALA H 2 2 ALA MB 2.224 . 2.786 2.374 2.253 2.828 0.042 17 0 "[ . 1 . 2]" 1
858 2 2 ALA MB 2 3 GLY H 3.458 2.819 4.097 3.408 2.916 3.710 . 0 0 "[ . 1 . 2]" 1
859 2 3 GLY H 2 3 GLY QA 2.059 . 2.570 2.242 2.190 2.394 . 0 0 "[ . 1 . 2]" 1
860 2 3 GLY QA 2 4 ASN H 2.017 . 2.539 2.269 2.106 2.521 . 0 0 "[ . 1 . 2]" 1
861 2 4 ASN H 2 4 ASN HB2 2.251 . 2.819 2.437 2.211 2.575 . 0 0 "[ . 1 . 2]" 1
862 2 4 ASN H 2 4 ASN HB3 3.533 2.914 4.152 3.595 3.058 3.738 . 0 0 "[ . 1 . 2]" 1
863 2 4 ASN H 2 5 ILE H 2.986 2.299 3.673 2.672 2.447 3.444 . 0 0 "[ . 1 . 2]" 1
864 2 4 ASN HA 2 4 ASN HB2 3.459 2.841 4.077 3.008 2.763 3.030 0.078 10 0 "[ . 1 . 2]" 1
865 2 4 ASN HA 2 4 ASN HB3 2.876 2.276 3.476 2.549 2.449 2.988 . 0 0 "[ . 1 . 2]" 1
866 2 4 ASN HA 2 5 ILE H 3.099 2.407 3.791 3.374 2.607 3.560 . 0 0 "[ . 1 . 2]" 1
867 2 4 ASN HB2 2 4 ASN HD21 3.560 2.864 4.256 3.324 2.960 3.548 . 0 0 "[ . 1 . 2]" 1
868 2 4 ASN HB2 2 4 ASN HD22 3.919 3.221 4.617 3.981 3.812 4.094 . 0 0 "[ . 1 . 2]" 1
869 2 4 ASN HB3 2 4 ASN HD22 4.187 3.540 4.834 3.795 3.529 4.072 0.011 14 0 "[ . 1 . 2]" 1
870 2 5 ILE H 2 5 ILE HA 3.355 2.591 4.119 2.935 2.871 2.952 . 0 0 "[ . 1 . 2]" 1
871 2 5 ILE H 2 5 ILE HB 3.431 2.727 4.135 2.784 2.692 2.876 0.035 16 0 "[ . 1 . 2]" 1
872 2 5 ILE H 2 5 ILE MD 4.412 3.702 5.122 3.954 3.760 4.286 . 0 0 "[ . 1 . 2]" 1
873 2 5 ILE HA 2 5 ILE HB 3.209 2.515 3.903 3.032 3.016 3.044 . 0 0 "[ . 1 . 2]" 1
874 2 5 ILE HA 2 5 ILE HG12 3.195 2.439 3.951 2.632 2.549 2.753 . 0 0 "[ . 1 . 2]" 1
875 2 5 ILE HA 2 5 ILE HG13 3.716 2.965 4.467 3.253 3.145 3.357 . 0 0 "[ . 1 . 2]" 1
876 2 5 ILE HA 2 5 ILE MG 2.295 . 2.908 2.304 2.248 2.370 . 0 0 "[ . 1 . 2]" 1
877 2 5 ILE HA 2 6 LEU H 2.782 2.129 3.435 2.281 2.226 2.331 . 0 0 "[ . 1 . 2]" 1
878 2 5 ILE HB 2 5 ILE MD 2.351 . 2.939 2.476 2.424 2.535 . 0 0 "[ . 1 . 2]" 1
879 2 5 ILE HB 2 5 ILE HG12 3.236 2.588 3.884 3.034 3.031 3.039 . 0 0 "[ . 1 . 2]" 1
880 2 5 ILE HB 2 5 ILE HG13 2.909 2.228 3.590 2.454 2.414 2.491 . 0 0 "[ . 1 . 2]" 1
881 2 5 ILE HB 2 5 ILE MG 2.031 . 2.586 2.129 2.120 2.134 . 0 0 "[ . 1 . 2]" 1
882 2 5 ILE MD 2 5 ILE HG13 2.367 . 3.020 2.121 2.117 2.127 . 0 0 "[ . 1 . 2]" 1
883 2 5 ILE HG12 2 5 ILE MG 2.285 . 2.894 2.420 2.376 2.492 . 0 0 "[ . 1 . 2]" 1
884 2 6 LEU H 2 6 LEU HA 3.028 2.351 3.705 2.892 2.866 2.929 . 0 0 "[ . 1 . 2]" 1
885 2 6 LEU H 2 6 LEU QB 2.465 . 3.137 2.399 2.287 2.516 . 0 0 "[ . 1 . 2]" 1
886 2 6 LEU H 2 6 LEU QD 2.396 . 3.090 2.131 1.948 2.861 . 0 0 "[ . 1 . 2]" 1
887 2 6 LEU H 2 6 LEU HG 3.173 2.486 3.860 3.240 2.650 3.632 . 0 0 "[ . 1 . 2]" 1
888 2 6 LEU HA 2 6 LEU QD 3.384 2.762 4.006 2.962 2.467 3.100 0.295 19 0 "[ . 1 . 2]" 1
889 2 6 LEU QB 2 6 LEU HG 3.092 2.465 3.719 2.492 2.455 2.527 0.010 17 0 "[ . 1 . 2]" 1
890 2 6 LEU QD 2 6 LEU HG 2.463 . 3.116 1.890 1.884 1.894 . 0 0 "[ . 1 . 2]" 1
891 2 8 SER H 2 8 SER HA 2.495 . 3.060 2.770 2.760 2.790 . 0 0 "[ . 1 . 2]" 1
892 2 9 ASP H 2 9 ASP HB2 2.621 . 3.246 2.558 2.370 3.556 0.310 5 0 "[ . 1 . 2]" 1
893 2 9 ASP H 2 9 ASP HB3 3.055 2.419 3.691 2.630 2.303 2.754 0.116 20 0 "[ . 1 . 2]" 1
894 2 9 ASP H 2 10 ILE H 2.680 2.028 3.332 2.875 2.704 2.958 . 0 0 "[ . 1 . 2]" 1
895 2 9 ASP H 2 11 MET H 3.802 3.078 4.526 4.215 4.085 4.348 . 0 0 "[ . 1 . 2]" 1
896 2 9 ASP HA 2 10 ILE H 3.491 2.842 4.140 3.573 3.539 3.589 . 0 0 "[ . 1 . 2]" 1
897 2 9 ASP HB2 2 10 ILE H 4.143 3.489 4.797 3.839 3.726 3.999 . 0 0 "[ . 1 . 2]" 1
898 2 10 ILE H 2 10 ILE HA 2.877 2.271 3.483 2.831 2.823 2.839 . 0 0 "[ . 1 . 2]" 1
899 2 10 ILE H 2 10 ILE HB 2.671 2.020 3.322 2.720 2.650 2.862 . 0 0 "[ . 1 . 2]" 1
900 2 10 ILE H 2 10 ILE HG12 2.080 . 2.773 1.987 1.842 2.123 . 0 0 "[ . 1 . 2]" 1
901 2 10 ILE H 2 10 ILE MG 3.645 3.025 4.265 3.798 3.778 3.821 . 0 0 "[ . 1 . 2]" 1
902 2 10 ILE H 2 11 MET H 2.516 . 3.187 2.612 2.563 2.670 . 0 0 "[ . 1 . 2]" 1
903 2 10 ILE HA 2 10 ILE MG 2.614 . 3.287 2.313 2.250 2.357 . 0 0 "[ . 1 . 2]" 1
904 2 10 ILE HA 2 13 PHE H 3.384 2.708 4.060 3.345 3.067 3.610 . 0 0 "[ . 1 . 2]" 1
905 2 10 ILE HB 2 10 ILE MD 4.025 3.140 4.910 3.253 3.249 3.256 . 0 0 "[ . 1 . 2]" 1
906 2 10 ILE HB 2 10 ILE MG 2.820 2.037 3.603 2.135 2.130 2.141 . 0 0 "[ . 1 . 2]" 1
907 2 10 ILE HB 2 11 MET H 2.753 2.124 3.382 2.639 2.497 2.746 . 0 0 "[ . 1 . 2]" 1
908 2 10 ILE MD 2 10 ILE HG12 2.446 . 3.089 2.119 2.117 2.122 . 0 0 "[ . 1 . 2]" 1
909 2 10 ILE MD 2 10 ILE HG13 2.548 . 3.220 2.123 2.122 2.125 . 0 0 "[ . 1 . 2]" 1
910 2 10 ILE MD 2 10 ILE MG 2.407 . 3.105 1.987 1.967 2.000 . 0 0 "[ . 1 . 2]" 1
911 2 10 ILE MG 2 11 MET H 3.479 2.845 4.113 3.654 3.511 3.779 . 0 0 "[ . 1 . 2]" 1
912 2 11 MET H 2 11 MET HA 2.856 2.180 3.532 2.804 2.765 2.824 . 0 0 "[ . 1 . 2]" 1
913 2 11 MET H 2 11 MET HB2 2.752 2.078 3.426 2.466 2.343 2.727 . 0 0 "[ . 1 . 2]" 1
914 2 11 MET H 2 11 MET HB3 3.942 3.330 4.554 3.590 3.563 3.605 . 0 0 "[ . 1 . 2]" 1
915 2 11 MET H 2 11 MET ME 3.071 2.468 3.674 3.176 2.666 3.727 0.053 5 0 "[ . 1 . 2]" 1
916 2 11 MET H 2 12 ASP H 3.018 2.378 3.658 2.695 2.619 2.819 . 0 0 "[ . 1 . 2]" 1
917 2 11 MET HA 2 11 MET HB3 3.080 2.383 3.777 2.518 2.414 2.581 . 0 0 "[ . 1 . 2]" 1
918 2 11 MET HA 2 11 MET ME 2.197 . 2.803 1.900 1.800 2.177 . 0 0 "[ . 1 . 2]" 1
919 2 11 MET HB2 2 12 ASP H 2.911 2.284 3.538 2.616 2.486 2.726 . 0 0 "[ . 1 . 2]" 1
920 2 11 MET HB3 2 12 ASP H 3.835 3.214 4.456 3.584 3.362 3.854 . 0 0 "[ . 1 . 2]" 1
921 2 11 MET QG 2 12 ASP H 4.345 3.661 5.029 4.123 3.806 4.452 . 0 0 "[ . 1 . 2]" 1
922 2 12 ASP H 2 12 ASP HA 2.898 2.257 3.539 2.801 2.771 2.828 . 0 0 "[ . 1 . 2]" 1
923 2 12 ASP H 2 12 ASP HB2 2.467 . 3.066 2.341 2.204 2.461 . 0 0 "[ . 1 . 2]" 1
924 2 12 ASP H 2 12 ASP HB3 3.818 3.187 4.449 3.557 3.213 3.620 . 0 0 "[ . 1 . 2]" 1
925 2 12 ASP H 2 13 PHE H 3.126 2.520 3.732 2.735 2.655 2.831 . 0 0 "[ . 1 . 2]" 1
926 2 12 ASP HA 2 12 ASP HB2 3.632 2.992 4.272 3.012 2.798 3.045 0.194 6 0 "[ . 1 . 2]" 1
927 2 12 ASP HA 2 12 ASP HB3 3.024 2.336 3.712 2.637 2.562 2.992 . 0 0 "[ . 1 . 2]" 1
928 2 12 ASP HA 2 15 LEU H 3.853 3.142 4.564 3.562 3.341 3.764 . 0 0 "[ . 1 . 2]" 1
929 2 12 ASP HB2 2 13 PHE H 3.281 2.616 3.946 2.904 2.755 3.718 . 0 0 "[ . 1 . 2]" 1
930 2 12 ASP HB3 2 13 PHE H 3.614 3.014 4.214 3.499 3.040 3.683 . 0 0 "[ . 1 . 2]" 1
931 2 13 PHE H 2 13 PHE HA 2.962 2.301 3.623 2.792 2.773 2.828 . 0 0 "[ . 1 . 2]" 1
932 2 13 PHE H 2 13 PHE QB 2.740 2.135 3.345 2.279 2.050 2.498 0.085 20 0 "[ . 1 . 2]" 1
933 2 13 PHE H 2 14 VAL H 2.998 2.305 3.691 2.842 2.722 2.929 . 0 0 "[ . 1 . 2]" 1
934 2 13 PHE H 2 14 VAL MG1 4.040 3.324 4.756 3.969 3.723 4.197 . 0 0 "[ . 1 . 2]" 1
935 2 13 PHE HA 2 14 VAL H 4.041 3.259 4.823 3.581 3.567 3.592 . 0 0 "[ . 1 . 2]" 1
936 2 13 PHE HA 2 14 VAL MG1 5.009 4.160 5.858 5.063 4.852 5.214 . 0 0 "[ . 1 . 2]" 1
937 2 13 PHE QB 2 14 VAL H 2.948 2.292 3.604 2.464 2.378 2.624 . 0 0 "[ . 1 . 2]" 1
938 2 14 VAL H 2 14 VAL HB 2.953 2.327 3.579 2.707 2.568 2.950 . 0 0 "[ . 1 . 2]" 1
939 2 14 VAL H 2 14 VAL MG2 3.685 2.995 4.375 3.795 3.733 3.810 . 0 0 "[ . 1 . 2]" 1
940 2 14 VAL H 2 15 LEU H 3.051 2.357 3.745 2.674 2.575 2.723 . 0 0 "[ . 1 . 2]" 1
941 2 14 VAL H 2 15 LEU MD2 4.092 3.293 4.891 4.032 3.875 4.287 . 0 0 "[ . 1 . 2]" 1
942 2 14 VAL HB 2 14 VAL MG1 2.428 . 3.037 2.124 2.119 2.130 . 0 0 "[ . 1 . 2]" 1
943 2 14 VAL HB 2 14 VAL MG2 2.637 . 3.316 2.128 2.124 2.132 . 0 0 "[ . 1 . 2]" 1
944 2 14 VAL MG2 2 15 LEU H 3.207 2.466 3.948 3.499 3.010 3.719 . 0 0 "[ . 1 . 2]" 1
945 2 15 LEU H 2 15 LEU HA 3.147 2.507 3.787 2.813 2.783 2.833 . 0 0 "[ . 1 . 2]" 1
946 2 15 LEU H 2 15 LEU MD1 4.423 3.679 5.167 4.028 3.865 4.144 . 0 0 "[ . 1 . 2]" 1
947 2 15 LEU H 2 15 LEU MD2 2.457 . 3.084 2.314 2.202 2.454 . 0 0 "[ . 1 . 2]" 1
948 2 15 LEU H 2 15 LEU HG 3.799 3.162 4.436 3.930 3.862 4.003 . 0 0 "[ . 1 . 2]" 1
949 2 15 LEU H 2 16 LYS H 2.895 2.291 3.499 2.671 2.588 2.746 . 0 0 "[ . 1 . 2]" 1
950 2 15 LEU HA 2 15 LEU MD1 2.673 2.005 3.341 2.238 2.188 2.279 . 0 0 "[ . 1 . 2]" 1
951 2 15 LEU HA 2 15 LEU MD2 2.313 . 2.887 2.287 2.075 2.537 . 0 0 "[ . 1 . 2]" 1
952 2 15 LEU HA 2 16 LYS H 3.812 3.077 4.547 3.525 3.505 3.547 . 0 0 "[ . 1 . 2]" 1
953 2 15 LEU MD1 2 15 LEU HG 2.158 . 2.783 2.121 2.115 2.126 . 0 0 "[ . 1 . 2]" 1
954 2 15 LEU MD2 2 15 LEU HG 2.139 . 2.765 2.121 2.118 2.125 . 0 0 "[ . 1 . 2]" 1
955 2 15 LEU MD2 2 16 LYS H 4.826 3.970 5.682 4.249 4.146 4.377 . 0 0 "[ . 1 . 2]" 1
956 2 16 LYS H 2 16 LYS HA 2.849 2.210 3.488 2.874 2.801 2.957 . 0 0 "[ . 1 . 2]" 1
957 2 16 LYS H 2 17 ASN H 2.970 2.295 3.645 2.614 2.491 2.990 . 0 0 "[ . 1 . 2]" 1
958 2 16 LYS HA 2 16 LYS QG 3.600 2.893 4.307 2.830 2.482 3.040 0.411 11 0 "[ . 1 . 2]" 1
959 2 16 LYS HA 2 17 ASN H 3.413 2.737 4.089 3.393 2.893 3.569 . 0 0 "[ . 1 . 2]" 1
960 2 16 LYS QB 2 17 ASN H 4.171 3.490 4.852 3.051 2.302 3.876 1.188 14 8 "[ *. *1 +*-* **]" 1
961 2 17 ASN H 2 17 ASN HA 3.439 2.783 4.095 2.936 2.923 2.954 . 0 0 "[ . 1 . 2]" 1
962 2 18 THR H 2 18 THR HA 2.575 . 3.163 2.916 2.888 2.935 . 0 0 "[ . 1 . 2]" 1
963 2 18 THR H 2 18 THR HB 2.775 2.148 3.402 2.809 2.584 3.047 . 0 0 "[ . 1 . 2]" 1
964 2 18 THR H 2 18 THR MG 3.983 3.340 4.626 3.910 3.777 4.014 . 0 0 "[ . 1 . 2]" 1
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