NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430484 |
2job   |
15622 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2job
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 1084
_Distance_constraint_stats_list.Viol_count 5014
_Distance_constraint_stats_list.Viol_total 11436.233
_Distance_constraint_stats_list.Viol_max 2.303
_Distance_constraint_stats_list.Viol_rms 0.1583
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0469
_Distance_constraint_stats_list.Viol_average_violations_only 0.1521
_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 6 GLY 2.154 0.182 3 0 "[ . 1 .]"
1 7 TRP 4.313 0.260 11 0 "[ . 1 .]"
1 8 GLU 4.844 0.172 7 0 "[ . 1 .]"
1 9 ALA 7.776 0.260 11 0 "[ . 1 .]"
1 10 VAL 10.082 0.269 7 0 "[ . 1 .]"
1 11 ALA 8.042 0.191 15 0 "[ . 1 .]"
1 12 ALA 5.744 0.178 4 0 "[ . 1 .]"
1 13 ALA 21.648 1.103 6 15 [****-+*********]
1 14 VAL 24.870 1.295 8 15 [******-+*******]
1 15 ALA 15.352 0.938 8 10 "[*** ** +** * -]"
1 16 SER 5.836 0.178 3 0 "[ . 1 .]"
1 17 LYS 11.695 0.371 15 0 "[ . 1 .]"
1 18 ILE 6.863 0.196 7 0 "[ . 1 .]"
1 19 VAL 47.995 2.025 10 15 [*****-***+*****]
1 20 GLY 3.705 0.274 15 0 "[ . 1 .]"
1 21 LEU 4.302 0.198 10 0 "[ . 1 .]"
1 22 TRP 13.187 0.369 6 0 "[ . 1 .]"
1 23 ARG 11.254 0.453 13 0 "[ . 1 .]"
1 24 ASN 9.228 0.453 13 0 "[ . 1 .]"
1 25 GLU 6.794 0.229 14 0 "[ . 1 .]"
1 26 LYS 11.881 0.229 14 0 "[ . 1 .]"
1 27 THR 5.711 0.231 14 0 "[ . 1 .]"
1 28 GLU 4.556 0.231 14 0 "[ . 1 .]"
1 29 LEU 41.715 1.849 15 14 "[**********- **+]"
1 30 LEU 16.764 1.715 15 7 "[ - *. ***1 *+]"
1 31 GLY 5.904 1.238 8 3 "[ . + 1 -*]"
1 32 HIS 9.359 0.313 12 0 "[ . 1 .]"
1 33 GLU 2.182 0.132 3 0 "[ . 1 .]"
1 34 CYS 7.278 0.290 15 0 "[ . 1 .]"
1 35 LYS 10.434 0.290 15 0 "[ . 1 .]"
1 36 PHE 21.699 1.171 2 10 "[*+* *-** * ** .]"
1 37 THR 3.392 0.237 11 0 "[ . 1 .]"
1 38 VAL 7.204 0.326 11 0 "[ . 1 .]"
1 39 LYS 4.714 0.290 8 0 "[ . 1 .]"
1 40 PRO 17.209 1.473 6 12 "[*****+- ** ***]"
1 41 TYR 18.065 0.449 7 0 "[ . 1 .]"
1 42 LEU 15.797 0.628 12 2 "[ . - 1 + .]"
1 43 LYS 7.387 0.628 12 2 "[ . - 1 + .]"
1 44 ARG 5.105 0.173 14 0 "[ . 1 .]"
1 45 PHE 5.112 0.173 14 0 "[ . 1 .]"
1 46 GLN 6.008 0.471 7 0 "[ . 1 .]"
1 47 VAL 5.481 0.301 8 0 "[ . 1 .]"
1 48 TYR 14.308 1.080 9 2 "[ . +1 - .]"
1 49 TYR 19.043 1.473 6 12 "[*****+- ** ***]"
1 50 LYS 7.989 0.231 7 0 "[ . 1 .]"
1 51 GLY 8.735 0.326 11 0 "[ . 1 .]"
1 52 ARG 17.182 0.807 2 15 [*+********-****]
1 53 MET 4.580 0.204 9 0 "[ . 1 .]"
1 54 TRP 13.100 0.370 10 0 "[ . 1 .]"
1 55 CYS 3.345 0.208 6 0 "[ . 1 .]"
1 56 PRO 5.850 0.223 9 0 "[ . 1 .]"
1 57 GLY 2.370 0.166 14 0 "[ . 1 .]"
1 58 TRP 13.556 0.852 11 4 "[ * 1+- *]"
1 59 THR 85.943 2.303 3 15 [**+*****-******]
1 60 ALA 8.526 0.423 1 0 "[ . 1 .]"
1 61 ILE 50.350 2.043 4 15 [-**+***********]
1 62 ARG 10.827 0.370 10 0 "[ . 1 .]"
1 63 GLY 6.734 0.347 13 0 "[ . 1 .]"
1 64 GLU 21.954 1.055 15 10 "[* * .* *-****+]"
1 65 ALA 12.930 0.829 10 6 "[- ** + * *.]"
1 66 SER 4.594 0.272 7 0 "[ . 1 .]"
1 67 THR 33.378 1.149 1 15 [+************-*]
1 68 ARG 6.339 1.080 9 2 "[ . +1 - .]"
1 69 SER 21.804 1.149 1 15 [+**-***********]
1 70 GLN 4.877 0.291 13 0 "[ . 1 .]"
1 71 SER 2.774 0.146 5 0 "[ . 1 .]"
1 72 GLY 1.306 0.261 13 0 "[ . 1 .]"
1 73 VAL 16.790 0.776 10 13 "[*** **** +***-*]"
1 74 ALA 24.540 1.255 1 13 "[+** **-***** **]"
1 75 GLY 35.230 2.025 10 15 [*********+**-**]
1 76 LYS 4.761 0.205 7 0 "[ . 1 .]"
1 77 THR 37.739 1.055 15 15 [-*************+]
1 78 ALA 18.237 1.171 2 7 "[ +- . ** * ** .]"
1 79 LYS 14.092 0.938 8 10 "[*** ** +** * -]"
1 80 ASP 8.291 0.252 6 0 "[ . 1 .]"
1 81 PHE 9.013 0.268 11 0 "[ . 1 .]"
1 82 VAL 21.698 1.295 8 15 [******-+*******]
1 83 ARG 6.080 0.268 6 0 "[ . 1 .]"
1 84 LYS 8.489 0.268 6 0 "[ . 1 .]"
1 85 ALA 37.571 1.242 3 15 [**+*****-******]
1 86 PHE 16.569 0.907 1 10 "[+***** **1 *-.]"
1 87 GLN 6.262 0.214 1 0 "[ . 1 .]"
1 88 LYS 2.874 0.179 15 0 "[ . 1 .]"
1 89 GLY 7.742 0.374 8 0 "[ . 1 .]"
1 90 LEU 70.205 2.303 3 15 [**+*****-******]
1 91 ILE 25.042 1.057 13 14 "[******* ****+-*]"
1 92 SER 6.926 0.667 4 2 "[ +.- 1 .]"
1 93 GLN 4.426 0.194 6 0 "[ . 1 .]"
1 94 GLN 3.919 0.348 8 0 "[ . 1 .]"
1 95 GLU 10.267 0.937 4 4 "[ - +. * *1 .]"
1 96 ALA 11.953 0.719 8 5 "[ -* * +*1 .]"
1 97 ASN 4.239 0.209 14 0 "[ . 1 .]"
1 98 GLN 6.548 0.348 8 0 "[ . 1 .]"
1 99 TRP 64.173 1.849 15 14 "[**********- **+]"
1 100 LEU 22.419 1.103 6 15 [****-+*********]
1 101 SER 6.032 0.195 2 0 "[ . 1 .]"
1 102 SER 2.451 0.198 8 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 GLY H 1 6 GLY HA2 2.800 . 2.800 2.807 2.381 2.982 0.182 3 0 "[ . 1 .]" 1
2 1 6 GLY H 1 6 GLY HA3 2.900 2.100 2.900 2.680 2.345 2.990 0.090 6 0 "[ . 1 .]" 1
3 1 6 GLY H 1 7 TRP H 3.200 2.200 3.200 2.568 2.155 3.075 0.045 6 0 "[ . 1 .]" 1
4 1 6 GLY H 1 8 GLU H 4.600 . 4.600 3.745 2.463 4.715 0.115 2 0 "[ . 1 .]" 1
5 1 6 GLY HA2 1 7 TRP H 3.600 . 3.600 3.376 2.637 3.591 . 0 0 "[ . 1 .]" 1
6 1 6 GLY HA2 1 8 GLU H 4.800 . 4.800 4.298 3.432 4.879 0.079 4 0 "[ . 1 .]" 1
7 1 6 GLY HA2 1 9 ALA H 4.000 . 4.000 3.585 3.072 4.063 0.063 11 0 "[ . 1 .]" 1
8 1 6 GLY HA3 1 7 TRP H 3.400 . 3.400 2.922 2.377 3.579 0.179 12 0 "[ . 1 .]" 1
9 1 7 TRP H 1 7 TRP HA 2.800 . 2.800 2.863 2.827 2.949 0.149 12 0 "[ . 1 .]" 1
10 1 7 TRP H 1 7 TRP HB2 3.600 . 3.600 2.289 1.989 3.563 0.011 4 0 "[ . 1 .]" 1
11 1 7 TRP H 1 7 TRP HB3 3.600 . 3.600 3.320 2.312 3.534 . 0 0 "[ . 1 .]" 1
12 1 7 TRP H 1 8 GLU H 2.800 . 2.800 2.721 2.377 2.857 0.057 6 0 "[ . 1 .]" 1
13 1 7 TRP H 1 9 ALA H 4.200 . 4.200 4.200 3.968 4.460 0.260 11 0 "[ . 1 .]" 1
14 1 7 TRP HA 1 8 GLU H 3.600 . 3.600 3.563 3.488 3.589 . 0 0 "[ . 1 .]" 1
15 1 7 TRP HA 1 9 ALA H 4.400 . 4.400 4.368 4.068 4.531 0.131 4 0 "[ . 1 .]" 1
16 1 7 TRP HA 1 10 VAL H 3.400 . 3.400 3.441 3.186 3.521 0.121 6 0 "[ . 1 .]" 1
17 1 7 TRP HA 1 10 VAL HB 4.000 . 4.000 2.787 2.317 3.007 . 0 0 "[ . 1 .]" 1
18 1 7 TRP HA 1 11 ALA H 4.200 . 4.200 4.179 3.694 4.337 0.137 5 0 "[ . 1 .]" 1
19 1 7 TRP HB2 1 8 GLU H 4.400 . 4.400 2.913 2.492 3.917 . 0 0 "[ . 1 .]" 1
20 1 7 TRP HB3 1 8 GLU H 4.400 . 4.400 3.327 2.872 4.296 . 0 0 "[ . 1 .]" 1
21 1 8 GLU H 1 8 GLU HA 2.800 . 2.800 2.862 2.848 2.885 0.085 1 0 "[ . 1 .]" 1
22 1 8 GLU H 1 8 GLU HB2 3.400 . 3.400 2.161 1.969 2.560 0.031 11 0 "[ . 1 .]" 1
23 1 8 GLU H 1 8 GLU HB3 3.400 . 3.400 3.062 2.318 3.533 0.133 6 0 "[ . 1 .]" 1
24 1 8 GLU H 1 9 ALA H 2.800 . 2.800 2.688 2.610 2.751 . 0 0 "[ . 1 .]" 1
25 1 8 GLU H 1 10 VAL H 4.200 . 4.200 4.202 4.008 4.299 0.099 7 0 "[ . 1 .]" 1
26 1 8 GLU HA 1 9 ALA H 3.500 . 3.500 3.561 3.551 3.568 0.068 15 0 "[ . 1 .]" 1
27 1 8 GLU HA 1 10 VAL H 4.400 . 4.400 4.450 4.389 4.572 0.172 7 0 "[ . 1 .]" 1
28 1 8 GLU HA 1 11 ALA H 3.400 . 3.400 3.442 3.359 3.508 0.108 11 0 "[ . 1 .]" 1
29 1 8 GLU HA 1 11 ALA MB 5.000 . 5.000 2.485 2.263 2.614 . 0 0 "[ . 1 .]" 1
30 1 8 GLU HA 1 12 ALA H 4.200 . 4.200 4.069 3.739 4.315 0.115 1 0 "[ . 1 .]" 1
31 1 8 GLU QB 1 9 ALA H 5.400 . 5.400 2.605 2.422 2.768 . 0 0 "[ . 1 .]" 1
32 1 9 ALA H 1 9 ALA HA 2.700 . 2.700 2.868 2.845 2.901 0.201 11 0 "[ . 1 .]" 1
33 1 9 ALA H 1 10 VAL H 2.800 . 2.800 2.671 2.548 2.751 . 0 0 "[ . 1 .]" 1
34 1 9 ALA H 1 11 ALA H 4.200 . 4.200 4.102 3.956 4.216 0.016 15 0 "[ . 1 .]" 1
35 1 9 ALA HA 1 10 VAL H 3.500 . 3.500 3.568 3.558 3.576 0.076 7 0 "[ . 1 .]" 1
36 1 9 ALA HA 1 11 ALA H 4.400 . 4.400 4.462 4.378 4.529 0.129 12 0 "[ . 1 .]" 1
37 1 9 ALA HA 1 12 ALA H 3.400 . 3.400 3.441 3.375 3.492 0.092 7 0 "[ . 1 .]" 1
38 1 9 ALA HA 1 13 ALA H 4.200 . 4.200 4.219 3.960 4.337 0.137 11 0 "[ . 1 .]" 1
39 1 9 ALA MB 1 10 VAL H 4.800 . 4.800 2.466 2.393 2.539 . 0 0 "[ . 1 .]" 1
40 1 10 VAL H 1 10 VAL HA 2.700 . 2.700 2.879 2.866 2.895 0.195 7 0 "[ . 1 .]" 1
41 1 10 VAL H 1 10 VAL HB 2.800 . 2.800 2.375 2.274 2.511 . 0 0 "[ . 1 .]" 1
42 1 10 VAL H 1 10 VAL MG1 5.400 . 5.400 3.713 3.689 3.721 . 0 0 "[ . 1 .]" 1
43 1 10 VAL H 1 10 VAL MG2 4.400 . 4.400 2.167 2.055 2.285 . 0 0 "[ . 1 .]" 1
44 1 10 VAL H 1 11 ALA H 2.800 . 2.800 2.627 2.535 2.677 . 0 0 "[ . 1 .]" 1
45 1 10 VAL H 1 12 ALA H 4.200 . 4.200 4.079 3.991 4.151 . 0 0 "[ . 1 .]" 1
46 1 10 VAL HA 1 11 ALA H 3.500 . 3.500 3.560 3.540 3.569 0.069 5 0 "[ . 1 .]" 1
47 1 10 VAL HA 1 12 ALA H 4.400 . 4.400 4.427 4.400 4.522 0.122 7 0 "[ . 1 .]" 1
48 1 10 VAL HA 1 13 ALA H 3.400 . 3.400 3.470 3.429 3.528 0.128 15 0 "[ . 1 .]" 1
49 1 10 VAL HA 1 14 VAL H 4.200 . 4.200 4.324 4.204 4.469 0.269 7 0 "[ . 1 .]" 1
50 1 10 VAL HB 1 11 ALA H 2.800 . 2.800 2.555 2.490 2.624 . 0 0 "[ . 1 .]" 1
51 1 10 VAL MG1 1 11 ALA H 5.000 . 5.000 3.393 3.242 3.576 . 0 0 "[ . 1 .]" 1
52 1 10 VAL MG2 1 11 ALA H 5.800 . 5.800 3.845 3.722 3.955 . 0 0 "[ . 1 .]" 1
53 1 11 ALA H 1 11 ALA HA 2.700 . 2.700 2.871 2.860 2.891 0.191 15 0 "[ . 1 .]" 1
54 1 11 ALA H 1 11 ALA MB 5.000 . 5.000 2.116 1.988 2.159 0.012 5 0 "[ . 1 .]" 1
55 1 11 ALA H 1 12 ALA H 2.800 . 2.800 2.653 2.568 2.687 . 0 0 "[ . 1 .]" 1
56 1 11 ALA H 1 13 ALA H 4.200 . 4.200 4.167 4.095 4.224 0.024 7 0 "[ . 1 .]" 1
57 1 11 ALA HA 1 12 ALA H 3.600 . 3.600 3.566 3.554 3.583 . 0 0 "[ . 1 .]" 1
58 1 11 ALA HA 1 13 ALA H 4.400 . 4.400 4.437 4.402 4.462 0.062 10 0 "[ . 1 .]" 1
59 1 11 ALA HA 1 14 VAL H 3.400 . 3.400 3.452 3.324 3.508 0.108 4 0 "[ . 1 .]" 1
60 1 11 ALA HA 1 15 ALA H 4.200 . 4.200 4.221 3.994 4.305 0.105 5 0 "[ . 1 .]" 1
61 1 11 ALA MB 1 12 ALA H 5.000 . 5.000 2.495 2.342 2.622 . 0 0 "[ . 1 .]" 1
62 1 12 ALA H 1 12 ALA HA 2.700 . 2.700 2.859 2.814 2.878 0.178 4 0 "[ . 1 .]" 1
63 1 12 ALA H 1 12 ALA MB 5.000 . 5.000 2.132 2.031 2.162 . 0 0 "[ . 1 .]" 1
64 1 12 ALA H 1 13 ALA H 2.800 . 2.800 2.704 2.636 2.879 0.079 7 0 "[ . 1 .]" 1
65 1 12 ALA H 1 14 VAL H 4.200 . 4.200 4.179 4.141 4.256 0.056 13 0 "[ . 1 .]" 1
66 1 12 ALA HA 1 13 ALA H 3.600 . 3.600 3.573 3.564 3.586 . 0 0 "[ . 1 .]" 1
67 1 12 ALA HA 1 14 VAL H 4.400 . 4.400 4.450 4.409 4.508 0.108 11 0 "[ . 1 .]" 1
68 1 12 ALA HA 1 15 ALA H 3.400 . 3.400 3.439 3.388 3.513 0.113 11 0 "[ . 1 .]" 1
69 1 12 ALA HA 1 16 SER H 4.200 . 4.200 4.182 3.953 4.328 0.128 7 0 "[ . 1 .]" 1
70 1 12 ALA MB 1 13 ALA H 5.000 . 5.000 2.462 2.389 2.588 . 0 0 "[ . 1 .]" 1
71 1 13 ALA H 1 13 ALA HA 2.700 . 2.700 2.864 2.849 2.880 0.180 11 0 "[ . 1 .]" 1
72 1 13 ALA H 1 13 ALA MB 5.000 . 5.000 2.146 2.127 2.161 . 0 0 "[ . 1 .]" 1
73 1 13 ALA H 1 14 VAL H 2.800 . 2.800 2.693 2.655 2.737 . 0 0 "[ . 1 .]" 1
74 1 13 ALA H 1 15 ALA H 4.200 . 4.200 4.151 4.085 4.251 0.051 7 0 "[ . 1 .]" 1
75 1 13 ALA HA 1 14 VAL H 3.600 . 3.600 3.571 3.564 3.576 . 0 0 "[ . 1 .]" 1
76 1 13 ALA HA 1 15 ALA H 4.400 . 4.400 4.461 4.422 4.558 0.158 13 0 "[ . 1 .]" 1
77 1 13 ALA HA 1 16 SER H 3.400 . 3.400 3.431 3.377 3.505 0.105 12 0 "[ . 1 .]" 1
78 1 13 ALA HA 1 17 LYS H 4.200 . 4.200 4.294 4.203 4.376 0.176 7 0 "[ . 1 .]" 1
79 1 13 ALA MB 1 14 VAL H 5.000 . 5.000 2.449 2.395 2.502 . 0 0 "[ . 1 .]" 1
80 1 13 ALA MB 1 100 LEU QD 5.400 2.800 5.400 1.883 1.697 2.256 1.103 6 15 [****-+*********] 1
81 1 14 VAL H 1 14 VAL HA 2.700 . 2.700 2.870 2.857 2.892 0.192 12 0 "[ . 1 .]" 1
82 1 14 VAL H 1 14 VAL HB 2.600 . 2.600 2.402 2.214 2.507 . 0 0 "[ . 1 .]" 1
83 1 14 VAL H 1 14 VAL MG1 4.400 . 4.400 3.715 3.668 3.728 . 0 0 "[ . 1 .]" 1
84 1 14 VAL H 1 14 VAL MG2 5.800 . 5.800 2.176 2.060 2.282 . 0 0 "[ . 1 .]" 1
85 1 14 VAL H 1 15 ALA H 2.800 . 2.800 2.669 2.581 2.739 . 0 0 "[ . 1 .]" 1
86 1 14 VAL H 1 16 SER H 4.200 . 4.200 4.114 4.046 4.225 0.025 7 0 "[ . 1 .]" 1
87 1 14 VAL H 1 100 LEU QD 5.400 2.600 5.400 3.338 3.019 3.805 . 0 0 "[ . 1 .]" 1
88 1 14 VAL HA 1 15 ALA H 3.600 . 3.600 3.569 3.559 3.584 . 0 0 "[ . 1 .]" 1
89 1 14 VAL HA 1 16 SER H 4.400 . 4.400 4.412 4.339 4.477 0.077 7 0 "[ . 1 .]" 1
90 1 14 VAL HA 1 17 LYS H 3.400 . 3.400 3.459 3.404 3.495 0.095 2 0 "[ . 1 .]" 1
91 1 14 VAL HA 1 18 ILE H 4.400 2.200 4.400 4.440 4.268 4.502 0.102 8 0 "[ . 1 .]" 1
92 1 14 VAL HA 1 99 TRP HE3 4.600 3.000 4.600 2.978 2.875 3.082 0.125 13 0 "[ . 1 .]" 1
93 1 14 VAL HA 1 99 TRP HZ3 3.000 2.400 3.000 2.356 2.258 2.480 0.142 15 0 "[ . 1 .]" 1
94 1 14 VAL HB 1 15 ALA H 3.000 . 3.000 2.537 2.443 2.625 . 0 0 "[ . 1 .]" 1
95 1 14 VAL HB 1 82 VAL QG 5.400 3.200 5.400 2.197 1.905 2.415 1.295 8 15 [******-+*******] 1
96 1 14 VAL MG1 1 15 ALA H 5.800 . 5.800 3.406 3.139 3.535 . 0 0 "[ . 1 .]" 1
97 1 14 VAL MG1 1 96 ALA MB 6.200 2.200 6.200 3.818 3.325 4.367 . 0 0 "[ . 1 .]" 1
98 1 14 VAL MG2 1 15 ALA H 4.800 . 4.800 3.839 3.736 3.982 . 0 0 "[ . 1 .]" 1
99 1 14 VAL MG2 1 99 TRP HE3 5.800 3.000 5.800 3.070 2.552 3.392 0.448 15 0 "[ . 1 .]" 1
100 1 14 VAL MG2 1 99 TRP HZ3 5.000 2.400 5.000 3.745 3.384 3.948 . 0 0 "[ . 1 .]" 1
101 1 15 ALA H 1 15 ALA HA 2.700 . 2.700 2.865 2.846 2.876 0.176 12 0 "[ . 1 .]" 1
102 1 15 ALA H 1 15 ALA MB 4.800 . 4.800 2.075 1.959 2.155 0.041 7 0 "[ . 1 .]" 1
103 1 15 ALA H 1 16 SER H 2.800 . 2.800 2.677 2.621 2.786 . 0 0 "[ . 1 .]" 1
104 1 15 ALA H 1 17 LYS H 4.200 . 4.200 4.171 4.101 4.234 0.034 7 0 "[ . 1 .]" 1
105 1 15 ALA H 1 82 VAL HB 5.000 . 5.000 4.937 4.486 5.307 0.307 7 0 "[ . 1 .]" 1
106 1 15 ALA H 1 82 VAL QG . 2.800 5.400 3.305 2.783 3.732 0.017 14 0 "[ . 1 .]" 1
107 1 15 ALA HA 1 16 SER H 3.600 . 3.600 3.568 3.559 3.579 . 0 0 "[ . 1 .]" 1
108 1 15 ALA HA 1 17 LYS H 4.400 . 4.400 4.405 4.346 4.450 0.050 6 0 "[ . 1 .]" 1
109 1 15 ALA HA 1 18 ILE H 3.400 . 3.400 3.391 3.281 3.457 0.057 12 0 "[ . 1 .]" 1
110 1 15 ALA HA 1 19 VAL H 4.600 2.400 4.600 4.447 3.831 4.642 0.042 15 0 "[ . 1 .]" 1
111 1 15 ALA HA 1 82 VAL QG 5.400 3.200 5.400 3.498 2.888 4.082 0.312 14 0 "[ . 1 .]" 1
112 1 15 ALA MB 1 16 SER H 5.000 . 5.000 2.551 2.472 2.637 . 0 0 "[ . 1 .]" 1
113 1 15 ALA MB 1 79 LYS HA 5.000 3.000 5.000 2.451 2.062 3.381 0.938 8 10 "[*** ** +** * -]" 1
114 1 16 SER H 1 16 SER HA 2.700 . 2.700 2.864 2.847 2.878 0.178 3 0 "[ . 1 .]" 1
115 1 16 SER H 1 16 SER HB2 4.400 . 4.400 2.310 2.066 3.520 . 0 0 "[ . 1 .]" 1
116 1 16 SER H 1 16 SER HB3 4.400 . 4.400 3.034 2.252 3.538 . 0 0 "[ . 1 .]" 1
117 1 16 SER H 1 17 LYS H 2.800 . 2.800 2.686 2.633 2.736 . 0 0 "[ . 1 .]" 1
118 1 16 SER H 1 18 ILE H 4.200 . 4.200 4.074 4.005 4.165 . 0 0 "[ . 1 .]" 1
119 1 16 SER HA 1 17 LYS H 3.600 . 3.600 3.572 3.563 3.579 . 0 0 "[ . 1 .]" 1
120 1 16 SER HA 1 18 ILE H 4.400 . 4.400 4.277 4.209 4.365 . 0 0 "[ . 1 .]" 1
121 1 16 SER HA 1 19 VAL H 3.600 2.200 3.600 3.576 3.297 3.669 0.069 7 0 "[ . 1 .]" 1
122 1 16 SER HA 1 19 VAL HB 6.400 . 6.400 3.014 2.703 3.225 . 0 0 "[ . 1 .]" 1
123 1 16 SER HA 1 20 GLY H 4.400 2.200 4.400 4.330 3.856 4.570 0.170 14 0 "[ . 1 .]" 1
124 1 16 SER QB 1 17 LYS H 5.400 2.600 5.400 2.584 2.456 3.427 0.144 11 0 "[ . 1 .]" 1
125 1 17 LYS H 1 17 LYS HA 2.700 . 2.700 2.874 2.855 2.887 0.187 7 0 "[ . 1 .]" 1
126 1 17 LYS H 1 17 LYS HB2 3.000 . 3.000 2.283 2.113 2.465 . 0 0 "[ . 1 .]" 1
127 1 17 LYS H 1 17 LYS HB3 3.000 . 3.000 2.659 2.460 2.891 . 0 0 "[ . 1 .]" 1
128 1 17 LYS H 1 18 ILE H 2.800 . 2.800 2.636 2.592 2.696 . 0 0 "[ . 1 .]" 1
129 1 17 LYS H 1 19 VAL H 4.400 2.200 4.400 4.362 4.119 4.470 0.070 3 0 "[ . 1 .]" 1
130 1 17 LYS HA 1 18 ILE H 3.600 . 3.600 3.553 3.541 3.570 . 0 0 "[ . 1 .]" 1
131 1 17 LYS HA 1 19 VAL H 4.600 2.200 4.600 4.529 4.272 4.720 0.120 7 0 "[ . 1 .]" 1
132 1 17 LYS HA 1 20 GLY H 3.800 2.400 3.800 3.469 3.345 3.677 . 0 0 "[ . 1 .]" 1
133 1 17 LYS QB 1 18 ILE H 5.400 2.600 5.400 2.684 2.575 2.741 0.025 8 0 "[ . 1 .]" 1
134 1 17 LYS QB 1 99 TRP HZ2 5.800 2.400 5.800 4.566 4.090 5.110 . 0 0 "[ . 1 .]" 1
135 1 17 LYS HB2 1 99 TRP HZ3 4.400 2.400 4.400 3.304 2.612 3.675 . 0 0 "[ . 1 .]" 1
136 1 17 LYS HB3 1 99 TRP HE3 3.400 . 3.400 3.613 3.536 3.771 0.371 15 0 "[ . 1 .]" 1
137 1 17 LYS HB3 1 99 TRP HZ3 3.000 . 3.000 2.005 1.697 2.270 0.303 8 0 "[ . 1 .]" 1
138 1 17 LYS HG2 1 99 TRP HE3 4.800 3.800 4.800 3.978 3.642 5.028 0.228 8 0 "[ . 1 .]" 1
139 1 17 LYS HG3 1 99 TRP HZ3 4.800 3.800 4.800 4.473 3.794 4.852 0.052 6 0 "[ . 1 .]" 1
140 1 18 ILE H 1 18 ILE HA 2.700 . 2.700 2.865 2.840 2.896 0.196 7 0 "[ . 1 .]" 1
141 1 18 ILE H 1 18 ILE HB 2.600 . 2.600 2.201 2.105 2.322 . 0 0 "[ . 1 .]" 1
142 1 18 ILE H 1 18 ILE HG12 3.600 . 3.600 2.908 2.204 3.680 0.080 12 0 "[ . 1 .]" 1
143 1 18 ILE H 1 18 ILE HG13 3.600 . 3.600 3.164 2.351 3.717 0.117 4 0 "[ . 1 .]" 1
144 1 18 ILE H 1 18 ILE MG 5.000 . 5.000 3.658 3.606 3.709 . 0 0 "[ . 1 .]" 1
145 1 18 ILE H 1 19 VAL H 2.800 . 2.800 2.726 2.631 2.807 0.007 14 0 "[ . 1 .]" 1
146 1 18 ILE H 1 20 GLY H 4.600 2.400 4.600 4.146 3.966 4.490 . 0 0 "[ . 1 .]" 1
147 1 18 ILE H 1 99 TRP HH2 3.600 3.000 3.600 3.318 3.051 3.598 . 0 0 "[ . 1 .]" 1
148 1 18 ILE H 1 99 TRP HZ3 4.400 3.600 4.400 3.495 3.445 3.557 0.155 12 0 "[ . 1 .]" 1
149 1 18 ILE HA 1 19 VAL H 3.600 . 3.600 3.582 3.553 3.592 . 0 0 "[ . 1 .]" 1
150 1 18 ILE HA 1 20 GLY H 4.600 2.200 4.600 4.554 4.474 4.704 0.104 14 0 "[ . 1 .]" 1
151 1 18 ILE HA 1 99 TRP HH2 3.600 . 3.600 2.814 2.425 3.731 0.131 8 0 "[ . 1 .]" 1
152 1 18 ILE HB 1 19 VAL H 2.800 . 2.800 2.567 2.432 2.781 . 0 0 "[ . 1 .]" 1
153 1 18 ILE MD 1 36 PHE QD 5.800 . 5.800 3.476 2.968 3.978 . 0 0 "[ . 1 .]" 1
154 1 18 ILE HG12 1 99 TRP HH2 3.600 2.200 3.600 2.203 2.052 2.695 0.148 3 0 "[ . 1 .]" 1
155 1 18 ILE MG 1 19 VAL H 5.400 . 5.400 2.947 2.711 3.377 . 0 0 "[ . 1 .]" 1
156 1 19 VAL H 1 19 VAL HA 2.700 . 2.700 2.870 2.854 2.889 0.189 3 0 "[ . 1 .]" 1
157 1 19 VAL H 1 19 VAL HB 2.600 . 2.600 2.261 2.216 2.334 . 0 0 "[ . 1 .]" 1
158 1 19 VAL H 1 20 GLY H 2.800 . 2.800 2.701 2.610 2.807 0.007 8 0 "[ . 1 .]" 1
159 1 19 VAL HA 1 20 GLY H 3.600 . 3.600 3.574 3.561 3.600 0.000 15 0 "[ . 1 .]" 1
160 1 19 VAL HA 1 22 TRP H 3.800 3.400 3.800 3.801 3.568 3.920 0.120 1 0 "[ . 1 .]" 1
161 1 19 VAL HA 1 22 TRP HB2 4.400 2.600 4.400 2.973 2.554 3.888 0.046 6 0 "[ . 1 .]" 1
162 1 19 VAL HA 1 22 TRP HB3 4.400 2.800 4.400 2.995 2.761 3.292 0.039 9 0 "[ . 1 .]" 1
163 1 19 VAL HA 1 22 TRP HE3 3.600 3.000 3.600 3.615 3.502 3.730 0.130 15 0 "[ . 1 .]" 1
164 1 19 VAL HA 1 36 PHE QE 6.800 . 6.800 4.272 2.605 5.680 . 0 0 "[ . 1 .]" 1
165 1 19 VAL HB 1 20 GLY H 2.600 . 2.600 2.612 2.471 2.671 0.071 9 0 "[ . 1 .]" 1
166 1 19 VAL QG 1 20 GLY H 5.400 . 5.400 3.076 2.811 3.192 . 0 0 "[ . 1 .]" 1
167 1 19 VAL QG 1 22 TRP HE3 6.000 3.600 6.000 3.557 3.231 3.875 0.369 6 0 "[ . 1 .]" 1
168 1 19 VAL QG 1 36 PHE QE 7.800 3.000 7.800 3.543 2.346 4.371 0.654 5 3 "[* +- 1 .]" 1
169 1 19 VAL QG 1 74 ALA MB 5.400 3.000 5.400 2.195 1.745 3.304 1.255 1 12 "[+** ** *-*** **]" 1
170 1 19 VAL QG 1 75 GLY HA2 . 4.400 5.400 2.617 2.375 3.110 2.025 10 15 [*********+**-**] 1
171 1 20 GLY H 1 20 GLY HA2 3.000 2.200 3.000 2.895 2.866 2.928 . 0 0 "[ . 1 .]" 1
172 1 20 GLY H 1 20 GLY HA3 2.600 . 2.600 2.354 2.343 2.371 . 0 0 "[ . 1 .]" 1
173 1 20 GLY H 1 21 LEU H 2.800 . 2.800 2.593 2.539 2.651 . 0 0 "[ . 1 .]" 1
174 1 20 GLY H 1 22 TRP H 4.800 4.400 4.800 4.352 4.126 4.500 0.274 15 0 "[ . 1 .]" 1
175 1 20 GLY HA2 1 21 LEU H 3.600 . 3.600 3.504 3.436 3.544 . 0 0 "[ . 1 .]" 1
176 1 20 GLY HA2 1 22 TRP H 4.600 4.200 4.600 4.134 4.001 4.339 0.199 6 0 "[ . 1 .]" 1
177 1 20 GLY HA3 1 21 LEU H 3.200 . 3.200 3.059 2.942 3.193 . 0 0 "[ . 1 .]" 1
178 1 21 LEU H 1 21 LEU HA 2.800 . 2.800 2.990 2.971 2.998 0.198 10 0 "[ . 1 .]" 1
179 1 21 LEU H 1 21 LEU HB2 2.800 . 2.800 2.593 2.470 2.707 . 0 0 "[ . 1 .]" 1
180 1 21 LEU H 1 21 LEU HB3 2.800 . 2.800 2.702 2.402 2.863 0.063 7 0 "[ . 1 .]" 1
181 1 21 LEU H 1 21 LEU MD1 6.400 3.000 6.400 4.081 3.848 4.212 . 0 0 "[ . 1 .]" 1
182 1 21 LEU H 1 21 LEU HG 4.800 . 4.800 4.465 4.365 4.567 . 0 0 "[ . 1 .]" 1
183 1 21 LEU H 1 22 TRP H 2.800 . 2.800 2.643 2.231 2.858 0.058 6 0 "[ . 1 .]" 1
184 1 21 LEU HA 1 21 LEU MD1 3.800 . 3.800 2.393 2.099 3.175 . 0 0 "[ . 1 .]" 1
185 1 21 LEU HA 1 21 LEU MD2 5.000 . 5.000 3.735 3.344 3.884 . 0 0 "[ . 1 .]" 1
186 1 21 LEU HA 1 22 TRP H 3.600 . 3.600 3.097 2.923 3.506 . 0 0 "[ . 1 .]" 1
187 1 21 LEU HB2 1 22 TRP H 4.400 3.000 4.400 4.403 4.053 4.565 0.165 2 0 "[ . 1 .]" 1
188 1 21 LEU HB3 1 22 TRP H 4.400 3.000 4.400 3.863 2.941 4.135 0.059 8 0 "[ . 1 .]" 1
189 1 21 LEU MD1 1 22 TRP H 7.400 2.600 7.400 4.945 4.747 5.435 . 0 0 "[ . 1 .]" 1
190 1 21 LEU MD2 1 22 TRP H 7.400 2.600 7.400 5.088 4.411 5.431 . 0 0 "[ . 1 .]" 1
191 1 21 LEU MD2 1 99 TRP HZ2 4.600 2.200 4.600 3.263 2.592 4.131 . 0 0 "[ . 1 .]" 1
192 1 22 TRP H 1 22 TRP HA 2.800 . 2.800 2.949 2.857 2.978 0.178 1 0 "[ . 1 .]" 1
193 1 22 TRP H 1 22 TRP HB2 2.800 . 2.800 2.773 2.556 2.865 0.065 11 0 "[ . 1 .]" 1
194 1 22 TRP H 1 22 TRP HB3 2.800 . 2.800 2.326 2.229 2.409 . 0 0 "[ . 1 .]" 1
195 1 22 TRP H 1 23 ARG H 4.600 . 4.600 4.553 4.498 4.612 0.012 15 0 "[ . 1 .]" 1
196 1 22 TRP HA 1 23 ARG H 2.400 . 2.400 2.212 2.179 2.246 . 0 0 "[ . 1 .]" 1
197 1 22 TRP HA 1 27 THR HA 3.200 2.600 3.200 3.206 2.890 3.430 0.230 11 0 "[ . 1 .]" 1
198 1 22 TRP HA 1 27 THR HB 2.800 2.400 2.800 2.672 2.289 2.906 0.111 15 0 "[ . 1 .]" 1
199 1 22 TRP HB2 1 23 ARG H 5.000 2.600 5.000 4.196 4.155 4.283 . 0 0 "[ . 1 .]" 1
200 1 22 TRP HB2 1 27 THR HB 4.800 . 4.800 3.706 3.368 4.196 . 0 0 "[ . 1 .]" 1
201 1 22 TRP HB3 1 23 ARG H 5.000 2.600 5.000 4.224 4.158 4.323 . 0 0 "[ . 1 .]" 1
202 1 22 TRP HD1 1 23 ARG H 2.600 2.200 2.600 2.365 2.054 2.542 0.146 4 0 "[ . 1 .]" 1
203 1 22 TRP HD1 1 26 LYS H . 2.600 3.200 3.165 3.056 3.253 0.053 10 0 "[ . 1 .]" 1
204 1 22 TRP HE1 1 23 ARG H 5.000 4.000 5.000 4.031 3.932 4.225 0.068 2 0 "[ . 1 .]" 1
205 1 22 TRP HE1 1 25 GLU H 4.000 3.000 4.000 4.094 4.030 4.164 0.164 4 0 "[ . 1 .]" 1
206 1 22 TRP HE1 1 25 GLU HA 2.800 2.200 2.800 2.259 2.140 2.444 0.060 8 0 "[ . 1 .]" 1
207 1 22 TRP HE3 1 74 ALA MB 5.800 3.400 5.800 3.900 3.369 4.405 0.031 14 0 "[ . 1 .]" 1
208 1 22 TRP HH2 1 38 VAL HB 4.000 . 4.000 2.464 2.118 3.487 . 0 0 "[ . 1 .]" 1
209 1 22 TRP HH2 1 38 VAL MG2 5.800 . 5.800 3.022 2.242 4.438 . 0 0 "[ . 1 .]" 1
210 1 22 TRP HZ2 1 38 VAL H 3.000 2.400 3.000 2.868 2.378 3.168 0.168 13 0 "[ . 1 .]" 1
211 1 22 TRP HZ2 1 38 VAL HB 4.400 2.400 4.400 3.728 3.179 4.406 0.006 5 0 "[ . 1 .]" 1
212 1 22 TRP HZ3 1 74 ALA MB 5.800 3.400 5.800 3.698 3.196 4.214 0.204 4 0 "[ . 1 .]" 1
213 1 23 ARG H 1 23 ARG HA 2.900 . 2.900 2.980 2.971 2.988 0.088 15 0 "[ . 1 .]" 1
214 1 23 ARG H 1 23 ARG HB2 4.000 . 4.000 2.332 2.088 2.618 . 0 0 "[ . 1 .]" 1
215 1 23 ARG H 1 23 ARG HB3 4.000 . 4.000 2.871 2.690 3.631 . 0 0 "[ . 1 .]" 1
216 1 23 ARG H 1 23 ARG HG2 5.800 . 5.800 4.488 3.199 4.699 . 0 0 "[ . 1 .]" 1
217 1 23 ARG H 1 24 ASN H 4.600 . 4.600 4.418 4.357 4.480 . 0 0 "[ . 1 .]" 1
218 1 23 ARG H 1 25 GLU H 4.800 4.000 4.800 4.341 4.260 4.407 . 0 0 "[ . 1 .]" 1
219 1 23 ARG H 1 26 LYS H 2.800 2.600 2.800 2.842 2.784 2.891 0.091 10 0 "[ . 1 .]" 1
220 1 23 ARG H 1 26 LYS O 2.200 . 2.200 1.869 1.786 1.953 0.214 4 0 "[ . 1 .]" 1
221 1 23 ARG H 1 27 THR HA 4.000 3.600 4.000 3.579 3.453 3.790 0.147 4 0 "[ . 1 .]" 1
222 1 23 ARG H 1 27 THR HB 4.400 . 4.400 3.599 3.252 3.846 . 0 0 "[ . 1 .]" 1
223 1 23 ARG HA 1 24 ASN H 2.600 2.200 2.600 2.789 2.713 2.857 0.257 14 0 "[ . 1 .]" 1
224 1 23 ARG HB2 1 24 ASN H 4.800 2.800 4.800 3.718 2.870 3.854 . 0 0 "[ . 1 .]" 1
225 1 23 ARG HB3 1 24 ASN H 4.800 2.800 4.800 2.581 2.347 2.761 0.453 13 0 "[ . 1 .]" 1
226 1 24 ASN H 1 24 ASN HA 2.800 . 2.800 2.787 2.766 2.810 0.010 9 0 "[ . 1 .]" 1
227 1 24 ASN H 1 24 ASN HB2 3.600 . 3.600 2.105 2.040 2.201 . 0 0 "[ . 1 .]" 1
228 1 24 ASN H 1 24 ASN HB3 3.600 . 3.600 3.458 3.400 3.507 . 0 0 "[ . 1 .]" 1
229 1 24 ASN H 1 25 GLU H 2.800 2.200 2.800 2.942 2.867 2.992 0.192 15 0 "[ . 1 .]" 1
230 1 24 ASN HA 1 25 GLU H 3.600 . 3.600 3.577 3.557 3.591 . 0 0 "[ . 1 .]" 1
231 1 24 ASN HB2 1 25 GLU H 3.400 . 3.400 2.773 2.604 2.888 . 0 0 "[ . 1 .]" 1
232 1 24 ASN HB2 1 26 LYS H 4.800 . 4.800 4.774 4.653 4.872 0.072 9 0 "[ . 1 .]" 1
233 1 24 ASN HB3 1 25 GLU H 3.400 . 3.400 3.078 2.896 3.189 . 0 0 "[ . 1 .]" 1
234 1 24 ASN HB3 1 26 LYS H 5.200 4.400 5.200 5.229 5.030 5.320 0.120 7 0 "[ . 1 .]" 1
235 1 25 GLU H 1 25 GLU HA 2.900 . 2.900 2.939 2.923 2.949 0.049 14 0 "[ . 1 .]" 1
236 1 25 GLU H 1 25 GLU HB2 4.000 2.400 4.000 3.955 3.934 3.982 . 0 0 "[ . 1 .]" 1
237 1 25 GLU H 1 25 GLU HB3 3.600 . 3.600 3.368 3.313 3.411 . 0 0 "[ . 1 .]" 1
238 1 25 GLU H 1 26 LYS H 3.200 . 3.200 2.192 2.122 2.258 . 0 0 "[ . 1 .]" 1
239 1 25 GLU HA 1 26 LYS H 2.800 . 2.800 2.951 2.902 3.029 0.229 14 0 "[ . 1 .]" 1
240 1 25 GLU HA 1 37 THR HA 5.400 . 5.400 3.145 2.764 3.458 . 0 0 "[ . 1 .]" 1
241 1 25 GLU HA 1 37 THR MG 6.000 . 6.000 2.449 2.171 2.764 . 0 0 "[ . 1 .]" 1
242 1 25 GLU HB2 1 26 LYS H 4.800 . 4.800 4.514 4.490 4.537 . 0 0 "[ . 1 .]" 1
243 1 25 GLU HB2 1 37 THR HA 4.800 2.400 4.800 4.295 3.881 4.830 0.030 8 0 "[ . 1 .]" 1
244 1 25 GLU HB3 1 26 LYS H 4.800 . 4.800 4.624 4.599 4.639 . 0 0 "[ . 1 .]" 1
245 1 25 GLU HB3 1 37 THR HA 4.800 2.400 4.800 4.457 3.954 4.919 0.119 8 0 "[ . 1 .]" 1
246 1 26 LYS H 1 26 LYS HA 2.900 . 2.900 2.974 2.956 2.990 0.090 10 0 "[ . 1 .]" 1
247 1 26 LYS H 1 26 LYS HB2 3.000 . 3.000 3.082 2.840 3.209 0.209 14 0 "[ . 1 .]" 1
248 1 26 LYS H 1 26 LYS HB3 2.800 . 2.800 2.871 2.714 3.022 0.222 6 0 "[ . 1 .]" 1
249 1 26 LYS H 1 27 THR H 4.600 . 4.600 4.410 4.300 4.451 . 0 0 "[ . 1 .]" 1
250 1 26 LYS HA 1 27 THR H 2.400 . 2.400 2.332 2.268 2.408 0.008 15 0 "[ . 1 .]" 1
251 1 26 LYS HA 1 34 CYS H 5.000 . 5.000 5.049 4.844 5.164 0.164 10 0 "[ . 1 .]" 1
252 1 26 LYS HA 1 35 LYS HA 2.400 2.200 2.400 2.214 2.056 2.442 0.144 11 0 "[ . 1 .]" 1
253 1 26 LYS HA 1 36 PHE H 3.000 2.200 3.000 2.584 2.307 3.010 0.010 7 0 "[ . 1 .]" 1
254 1 26 LYS HA 1 36 PHE HB2 5.800 4.600 5.800 5.041 4.567 5.438 0.033 2 0 "[ . 1 .]" 1
255 1 26 LYS HA 1 36 PHE HB3 4.800 4.200 4.800 4.403 4.063 4.822 0.137 13 0 "[ . 1 .]" 1
256 1 26 LYS HB2 1 27 THR H 4.800 . 4.800 4.172 4.034 4.303 . 0 0 "[ . 1 .]" 1
257 1 26 LYS HB3 1 27 THR H 4.800 . 4.800 3.768 3.512 4.030 . 0 0 "[ . 1 .]" 1
258 1 27 THR H 1 27 THR HA 2.900 . 2.900 2.953 2.927 2.973 0.073 9 0 "[ . 1 .]" 1
259 1 27 THR H 1 27 THR HB 3.600 . 3.600 3.271 3.130 3.454 . 0 0 "[ . 1 .]" 1
260 1 27 THR H 1 27 THR MG 5.800 . 5.800 2.303 2.228 2.389 . 0 0 "[ . 1 .]" 1
261 1 27 THR H 1 28 GLU H 4.600 . 4.600 4.389 4.310 4.429 . 0 0 "[ . 1 .]" 1
262 1 27 THR H 1 34 CYS H 3.200 2.800 3.200 3.208 3.096 3.300 0.100 10 0 "[ . 1 .]" 1
263 1 27 THR H 1 34 CYS O 2.200 . 2.400 2.042 1.915 2.224 . 0 0 "[ . 1 .]" 1
264 1 27 THR H 1 35 LYS HA 4.000 . 4.000 3.175 2.921 3.315 . 0 0 "[ . 1 .]" 1
265 1 27 THR HA 1 28 GLU H 2.400 . 2.400 2.408 2.273 2.596 0.196 13 0 "[ . 1 .]" 1
266 1 27 THR HB 1 28 GLU H 4.000 . 4.000 4.031 3.814 4.231 0.231 14 0 "[ . 1 .]" 1
267 1 27 THR MG 1 28 GLU H 5.800 . 5.800 3.465 2.904 3.811 . 0 0 "[ . 1 .]" 1
268 1 27 THR O 1 34 CYS H 2.200 . 2.400 1.888 1.828 2.003 0.072 14 0 "[ . 1 .]" 1
269 1 28 GLU H 1 28 GLU HA 2.900 . 2.900 2.995 2.977 3.007 0.107 6 0 "[ . 1 .]" 1
270 1 28 GLU H 1 28 GLU QB 4.600 . 4.600 2.344 2.112 3.096 . 0 0 "[ . 1 .]" 1
271 1 28 GLU H 1 28 GLU QG 5.800 . 5.800 3.365 2.102 4.121 . 0 0 "[ . 1 .]" 1
272 1 28 GLU H 1 29 LEU H 4.600 . 4.600 4.376 4.198 4.577 . 0 0 "[ . 1 .]" 1
273 1 28 GLU HA 1 29 LEU H 2.400 2.200 2.400 2.249 2.202 2.332 . 0 0 "[ . 1 .]" 1
274 1 28 GLU HA 1 32 HIS H 4.800 2.400 4.800 4.389 4.018 4.917 0.117 6 0 "[ . 1 .]" 1
275 1 28 GLU HA 1 33 GLU HA 2.800 . 2.800 2.859 2.610 2.932 0.132 3 0 "[ . 1 .]" 1
276 1 28 GLU HA 1 34 CYS H 3.000 2.600 3.000 2.913 2.797 3.049 0.049 15 0 "[ . 1 .]" 1
277 1 28 GLU QB 1 29 LEU H 4.800 . 4.800 3.441 2.831 3.929 . 0 0 "[ . 1 .]" 1
278 1 28 GLU QG 1 29 LEU H 5.800 . 5.800 3.843 3.113 4.415 . 0 0 "[ . 1 .]" 1
279 1 29 LEU H 1 29 LEU HA 2.900 . 2.900 2.992 2.974 3.001 0.101 14 0 "[ . 1 .]" 1
280 1 29 LEU H 1 29 LEU HB2 4.000 . 4.000 2.393 2.164 2.679 . 0 0 "[ . 1 .]" 1
281 1 29 LEU H 1 29 LEU HB3 4.000 . 4.000 3.572 3.466 3.718 . 0 0 "[ . 1 .]" 1
282 1 29 LEU H 1 30 LEU H 4.600 . 4.600 4.343 4.107 4.481 . 0 0 "[ . 1 .]" 1
283 1 29 LEU H 1 31 GLY H 4.600 . 4.600 4.069 3.581 4.479 . 0 0 "[ . 1 .]" 1
284 1 29 LEU H 1 32 HIS H 3.600 . 3.600 3.081 2.402 3.628 0.028 3 0 "[ . 1 .]" 1
285 1 29 LEU H 1 32 HIS HB2 4.600 2.200 4.600 3.319 3.108 3.531 . 0 0 "[ . 1 .]" 1
286 1 29 LEU H 1 32 HIS HB3 4.600 2.200 4.600 4.615 4.407 4.722 0.122 15 0 "[ . 1 .]" 1
287 1 29 LEU H 1 32 HIS O 2.200 . 2.200 2.104 1.804 2.270 0.096 5 0 "[ . 1 .]" 1
288 1 29 LEU H 1 33 GLU HA 4.400 2.200 4.400 4.078 3.856 4.253 . 0 0 "[ . 1 .]" 1
289 1 29 LEU HA 1 30 LEU H 3.200 2.400 3.200 2.215 2.200 2.241 0.200 3 0 "[ . 1 .]" 1
290 1 29 LEU HA 1 99 TRP HE1 4.400 2.400 4.400 3.463 3.081 4.063 . 0 0 "[ . 1 .]" 1
291 1 29 LEU HA 1 99 TRP HH2 4.800 3.800 4.800 4.188 3.786 4.773 0.014 5 0 "[ . 1 .]" 1
292 1 29 LEU HA 1 99 TRP HZ2 2.800 . 2.800 2.982 2.609 3.131 0.331 6 0 "[ . 1 .]" 1
293 1 29 LEU HB2 1 30 LEU H 4.400 . 4.400 4.435 4.099 4.569 0.169 6 0 "[ . 1 .]" 1
294 1 29 LEU HB3 1 30 LEU H 4.400 . 4.400 3.615 3.459 3.801 . 0 0 "[ . 1 .]" 1
295 1 29 LEU QD 1 91 ILE MD 7.200 2.400 7.200 3.322 2.778 4.600 . 0 0 "[ . 1 .]" 1
296 1 29 LEU QD 1 99 TRP HE3 6.800 4.400 6.800 4.247 3.719 5.287 0.681 7 4 "[- **. + 1 .]" 1
297 1 29 LEU QD 1 99 TRP HH2 5.400 3.800 5.400 3.035 2.726 3.396 1.074 8 13 "[******-+*** **]" 1
298 1 29 LEU QD 1 99 TRP HZ2 5.400 3.800 5.400 3.334 1.951 3.954 1.849 15 3 "[ . - 1 *+]" 1
299 1 29 LEU QD 1 99 TRP HZ3 5.600 4.000 5.600 3.542 3.139 4.416 0.861 4 11 "[***+*** **- * .]" 1
300 1 29 LEU O 1 32 HIS H 2.000 . 2.000 1.987 1.870 2.110 0.110 7 0 "[ . 1 .]" 1
301 1 30 LEU H 1 30 LEU HA 2.900 . 2.900 2.356 2.349 2.366 . 0 0 "[ . 1 .]" 1
302 1 30 LEU H 1 30 LEU QB 5.400 . 5.400 2.856 2.827 2.901 . 0 0 "[ . 1 .]" 1
303 1 30 LEU H 1 30 LEU QD 6.400 . 6.400 3.227 2.896 3.727 . 0 0 "[ . 1 .]" 1
304 1 30 LEU H 1 31 GLY H 3.000 . 3.000 2.788 2.716 2.849 . 0 0 "[ . 1 .]" 1
305 1 30 LEU H 1 99 TRP HD1 3.400 . 3.400 3.206 2.970 3.637 0.237 5 0 "[ . 1 .]" 1
306 1 30 LEU H 1 99 TRP HE1 3.000 2.400 3.000 2.762 2.442 2.966 . 0 0 "[ . 1 .]" 1
307 1 30 LEU H 1 99 TRP HZ2 4.000 2.400 4.000 3.955 3.536 4.155 0.155 15 0 "[ . 1 .]" 1
308 1 30 LEU HA 1 31 GLY H 3.200 . 3.200 3.000 2.945 3.053 . 0 0 "[ . 1 .]" 1
309 1 30 LEU HA 1 32 HIS H 4.600 4.000 4.600 4.473 4.306 4.640 0.040 7 0 "[ . 1 .]" 1
310 1 30 LEU HA 1 99 TRP HD1 3.000 2.400 3.000 2.674 2.427 2.882 . 0 0 "[ . 1 .]" 1
311 1 30 LEU HA 1 99 TRP HE1 4.000 3.400 4.000 3.889 3.389 4.198 0.198 4 0 "[ . 1 .]" 1
312 1 30 LEU HB2 1 31 GLY H 4.400 . 4.400 4.421 4.342 4.502 0.102 15 0 "[ . 1 .]" 1
313 1 30 LEU HB2 1 32 HIS HD2 3.200 . 3.200 3.241 3.118 3.358 0.158 15 0 "[ . 1 .]" 1
314 1 30 LEU HB3 1 31 GLY H 4.400 . 4.400 4.096 4.031 4.160 . 0 0 "[ . 1 .]" 1
315 1 30 LEU HB3 1 32 HIS HD2 3.200 . 3.200 1.975 1.752 2.300 . 0 0 "[ . 1 .]" 1
316 1 30 LEU QD 1 58 TRP HZ2 4.000 . 4.000 2.305 1.801 3.141 0.199 7 0 "[ . 1 .]" 1
317 1 30 LEU QD 1 95 GLU QG 7.400 2.600 7.400 2.667 1.663 3.577 0.937 4 4 "[ - +. * *1 .]" 1
318 1 30 LEU QD 1 99 TRP HD1 5.800 3.400 5.800 3.264 1.685 3.786 1.715 15 3 "[ . * 1 -+]" 1
319 1 31 GLY H 1 31 GLY HA2 3.000 2.200 3.000 2.374 2.352 2.414 . 0 0 "[ . 1 .]" 1
320 1 31 GLY H 1 31 GLY HA3 3.000 2.100 3.000 2.929 2.894 2.968 . 0 0 "[ . 1 .]" 1
321 1 31 GLY H 1 32 HIS H 2.600 . 2.600 2.574 2.464 2.683 0.083 10 0 "[ . 1 .]" 1
322 1 31 GLY H 1 99 TRP HD1 4.000 3.400 4.000 3.804 3.075 5.238 1.238 8 3 "[ . + 1 -*]" 1
323 1 31 GLY H 1 99 TRP HE1 4.800 2.800 4.800 3.272 2.655 4.951 0.151 15 0 "[ . 1 .]" 1
324 1 31 GLY HA2 1 32 HIS H 3.600 . 3.600 3.230 3.037 3.462 . 0 0 "[ . 1 .]" 1
325 1 31 GLY HA3 1 32 HIS H 3.600 . 3.600 3.372 3.154 3.516 . 0 0 "[ . 1 .]" 1
326 1 32 HIS H 1 32 HIS HA 2.900 . 2.900 2.974 2.927 2.997 0.097 7 0 "[ . 1 .]" 1
327 1 32 HIS H 1 32 HIS HB2 2.800 . 2.800 2.454 2.358 2.529 . 0 0 "[ . 1 .]" 1
328 1 32 HIS H 1 32 HIS HB3 3.400 . 3.400 3.635 3.554 3.713 0.313 12 0 "[ . 1 .]" 1
329 1 32 HIS H 1 33 GLU H 4.600 4.000 4.600 4.561 4.477 4.649 0.049 6 0 "[ . 1 .]" 1
330 1 32 HIS HA 1 33 GLU H 2.400 . 2.400 2.357 2.261 2.424 0.024 13 0 "[ . 1 .]" 1
331 1 32 HIS HB2 1 33 GLU H 4.000 . 4.000 3.868 3.647 4.037 0.037 2 0 "[ . 1 .]" 1
332 1 32 HIS HB3 1 33 GLU H 4.000 . 4.000 2.858 2.635 3.161 . 0 0 "[ . 1 .]" 1
333 1 32 HIS HD2 1 58 TRP HB2 4.800 2.400 4.800 3.999 3.815 4.600 . 0 0 "[ . 1 .]" 1
334 1 32 HIS HD2 1 58 TRP HB3 4.800 2.400 4.800 4.904 4.828 5.008 0.208 9 0 "[ . 1 .]" 1
335 1 33 GLU H 1 33 GLU HA 2.900 . 2.900 2.938 2.901 2.963 0.063 9 0 "[ . 1 .]" 1
336 1 33 GLU H 1 33 GLU QB 4.600 . 4.600 2.109 1.959 2.272 0.041 10 0 "[ . 1 .]" 1
337 1 33 GLU H 1 34 CYS H 4.600 4.000 4.600 4.559 4.430 4.628 0.028 6 0 "[ . 1 .]" 1
338 1 33 GLU HA 1 34 CYS H 2.400 . 2.400 2.212 2.177 2.256 . 0 0 "[ . 1 .]" 1
339 1 33 GLU HB2 1 34 CYS H 5.000 . 5.000 4.435 4.216 4.593 . 0 0 "[ . 1 .]" 1
340 1 33 GLU HB3 1 34 CYS H 5.000 . 5.000 3.747 3.207 4.306 . 0 0 "[ . 1 .]" 1
341 1 34 CYS H 1 34 CYS HA 2.900 . 2.900 2.992 2.983 3.000 0.100 15 0 "[ . 1 .]" 1
342 1 34 CYS H 1 34 CYS QB 4.600 . 4.600 2.472 2.286 2.593 . 0 0 "[ . 1 .]" 1
343 1 34 CYS H 1 35 LYS H 4.600 4.000 4.600 4.474 4.446 4.504 . 0 0 "[ . 1 .]" 1
344 1 34 CYS HA 1 35 LYS H 2.400 . 2.400 2.458 2.414 2.517 0.117 14 0 "[ . 1 .]" 1
345 1 34 CYS HA 1 55 CYS HA 2.400 . 2.400 1.985 1.864 2.153 0.136 4 0 "[ . 1 .]" 1
346 1 34 CYS HA 1 55 CYS HB2 5.400 3.000 5.400 4.609 4.534 4.702 . 0 0 "[ . 1 .]" 1
347 1 34 CYS HA 1 55 CYS HB3 4.800 2.400 4.800 3.564 3.363 3.768 . 0 0 "[ . 1 .]" 1
348 1 34 CYS QB 1 54 TRP H 6.000 . 6.000 4.150 3.862 4.574 . 0 0 "[ . 1 .]" 1
349 1 34 CYS HB2 1 35 LYS H 3.600 2.400 3.600 3.760 3.660 3.890 0.290 15 0 "[ . 1 .]" 1
350 1 34 CYS HB2 1 55 CYS HA 5.400 2.400 5.400 4.384 4.067 4.705 . 0 0 "[ . 1 .]" 1
351 1 34 CYS HB3 1 35 LYS H 3.200 . 3.200 2.516 2.391 2.653 . 0 0 "[ . 1 .]" 1
352 1 34 CYS HB3 1 55 CYS HA 5.400 2.400 5.400 3.261 2.845 3.660 . 0 0 "[ . 1 .]" 1
353 1 35 LYS H 1 35 LYS HA 2.900 . 2.900 2.997 2.988 3.002 0.102 6 0 "[ . 1 .]" 1
354 1 35 LYS H 1 35 LYS HB2 2.800 . 2.800 2.808 2.584 2.905 0.105 14 0 "[ . 1 .]" 1
355 1 35 LYS H 1 35 LYS HB3 2.800 . 2.800 2.727 2.618 2.843 0.043 12 0 "[ . 1 .]" 1
356 1 35 LYS H 1 36 PHE H 4.600 4.000 4.600 4.155 3.976 4.361 0.024 11 0 "[ . 1 .]" 1
357 1 35 LYS H 1 54 TRP H 3.400 . 3.400 3.028 2.886 3.105 . 0 0 "[ . 1 .]" 1
358 1 35 LYS H 1 54 TRP O 2.200 . 2.400 1.841 1.744 1.922 0.156 1 0 "[ . 1 .]" 1
359 1 35 LYS H 1 55 CYS HA 3.400 . 3.400 2.867 2.750 3.020 . 0 0 "[ . 1 .]" 1
360 1 35 LYS H 1 55 CYS HB2 5.400 . 5.400 5.480 5.343 5.608 0.208 6 0 "[ . 1 .]" 1
361 1 35 LYS H 1 55 CYS HB3 5.400 . 5.400 5.167 4.988 5.338 . 0 0 "[ . 1 .]" 1
362 1 35 LYS HA 1 36 PHE H 2.400 . 2.400 2.207 2.187 2.254 . 0 0 "[ . 1 .]" 1
363 1 35 LYS HB2 1 36 PHE H 4.400 . 4.400 4.545 4.488 4.606 0.206 11 0 "[ . 1 .]" 1
364 1 35 LYS HB2 1 54 TRP H 4.800 . 4.800 4.648 4.367 4.840 0.040 13 0 "[ . 1 .]" 1
365 1 35 LYS HB2 1 54 TRP HZ2 4.800 2.400 4.800 4.207 3.719 4.550 . 0 0 "[ . 1 .]" 1
366 1 35 LYS HB3 1 36 PHE H 4.400 . 4.400 4.271 4.041 4.385 . 0 0 "[ . 1 .]" 1
367 1 35 LYS HB3 1 36 PHE HA 5.400 2.200 5.400 4.708 4.529 4.798 . 0 0 "[ . 1 .]" 1
368 1 35 LYS HB3 1 54 TRP H 4.800 . 4.800 3.257 2.932 3.629 . 0 0 "[ . 1 .]" 1
369 1 35 LYS HB3 1 54 TRP HZ2 4.800 2.400 4.800 3.370 2.951 3.633 . 0 0 "[ . 1 .]" 1
370 1 35 LYS O 1 54 TRP H 2.200 . 2.400 1.975 1.847 2.179 0.053 3 0 "[ . 1 .]" 1
371 1 36 PHE H 1 36 PHE HA 2.900 . 2.900 2.999 2.992 3.004 0.104 12 0 "[ . 1 .]" 1
372 1 36 PHE H 1 36 PHE HB2 2.800 . 2.800 2.867 2.711 3.023 0.223 11 0 "[ . 1 .]" 1
373 1 36 PHE H 1 36 PHE HB3 3.600 . 3.600 2.482 2.298 2.665 . 0 0 "[ . 1 .]" 1
374 1 36 PHE H 1 37 THR H 4.600 4.000 4.600 4.448 4.325 4.529 . 0 0 "[ . 1 .]" 1
375 1 36 PHE HA 1 37 THR H 2.400 . 2.400 2.270 2.235 2.306 . 0 0 "[ . 1 .]" 1
376 1 36 PHE HA 1 53 MET HA 2.300 2.100 2.300 2.226 2.099 2.320 0.020 13 0 "[ . 1 .]" 1
377 1 36 PHE HA 1 53 MET HB2 5.200 . 5.200 2.309 2.093 2.551 . 0 0 "[ . 1 .]" 1
378 1 36 PHE HA 1 53 MET HB3 5.200 . 5.200 2.577 2.320 2.916 . 0 0 "[ . 1 .]" 1
379 1 36 PHE HA 1 54 TRP H 3.400 . 3.400 3.518 3.468 3.603 0.203 3 0 "[ . 1 .]" 1
380 1 36 PHE HA 1 77 THR MG 6.200 . 6.200 4.102 3.751 5.042 . 0 0 "[ . 1 .]" 1
381 1 36 PHE HB2 1 37 THR H 4.400 . 4.400 4.372 4.208 4.495 0.095 12 0 "[ . 1 .]" 1
382 1 36 PHE HB2 1 53 MET HA 5.200 . 5.200 4.280 3.896 4.497 . 0 0 "[ . 1 .]" 1
383 1 36 PHE HB3 1 37 THR H 4.400 . 4.400 4.219 4.085 4.384 . 0 0 "[ . 1 .]" 1
384 1 36 PHE HB3 1 53 MET HA 5.200 . 5.200 5.212 4.996 5.332 0.132 3 0 "[ . 1 .]" 1
385 1 36 PHE QD 1 74 ALA HA 6.400 . 6.400 5.007 4.836 5.269 . 0 0 "[ . 1 .]" 1
386 1 36 PHE QD 1 77 THR H 7.000 2.200 7.000 6.433 6.271 6.563 . 0 0 "[ . 1 .]" 1
387 1 36 PHE QD 1 77 THR HB 6.800 . 6.800 4.404 3.779 4.828 . 0 0 "[ . 1 .]" 1
388 1 36 PHE QE 1 74 ALA HA 6.800 . 6.800 2.867 2.614 3.236 . 0 0 "[ . 1 .]" 1
389 1 36 PHE QE 1 74 ALA MB 6.800 3.000 6.800 2.717 2.365 3.142 0.635 3 3 "[ + .*- 1 .]" 1
390 1 36 PHE QE 1 77 THR H 6.400 . 6.400 4.441 4.258 4.711 . 0 0 "[ . 1 .]" 1
391 1 36 PHE QE 1 77 THR HB 5.800 . 5.800 2.578 2.317 3.074 . 0 0 "[ . 1 .]" 1
392 1 36 PHE QE 1 78 ALA MB 6.800 3.000 6.800 2.870 1.829 4.044 1.171 2 7 "[ +- . ** * ** .]" 1
393 1 37 THR H 1 37 THR HA 2.900 . 2.900 2.986 2.963 3.001 0.101 12 0 "[ . 1 .]" 1
394 1 37 THR H 1 37 THR HB 4.000 . 4.000 3.624 3.153 3.841 . 0 0 "[ . 1 .]" 1
395 1 37 THR H 1 37 THR MG 5.000 . 5.000 3.379 2.880 4.008 . 0 0 "[ . 1 .]" 1
396 1 37 THR H 1 38 VAL H 4.600 4.000 4.600 4.464 4.439 4.506 . 0 0 "[ . 1 .]" 1
397 1 37 THR H 1 52 ARG H 3.400 . 3.400 3.274 3.123 3.485 0.085 13 0 "[ . 1 .]" 1
398 1 37 THR H 1 52 ARG O 2.200 . 2.400 2.042 1.907 2.460 0.060 13 0 "[ . 1 .]" 1
399 1 37 THR H 1 53 MET HA 3.400 . 3.400 3.170 3.059 3.323 . 0 0 "[ . 1 .]" 1
400 1 37 THR H 1 77 THR MG 6.800 . 6.800 3.794 3.429 4.295 . 0 0 "[ . 1 .]" 1
401 1 37 THR HA 1 38 VAL H 2.400 . 2.400 2.353 2.285 2.479 0.079 9 0 "[ . 1 .]" 1
402 1 37 THR HB 1 38 VAL H 2.800 . 2.800 2.863 2.670 3.037 0.237 11 0 "[ . 1 .]" 1
403 1 37 THR MG 1 38 VAL H 5.400 . 5.400 3.261 2.032 3.810 . 0 0 "[ . 1 .]" 1
404 1 37 THR O 1 52 ARG H 2.200 . 2.400 2.032 1.943 2.292 . 0 0 "[ . 1 .]" 1
405 1 38 VAL H 1 38 VAL HA 2.900 . 2.900 2.994 2.977 3.001 0.101 8 0 "[ . 1 .]" 1
406 1 38 VAL H 1 38 VAL HB 3.000 . 3.000 2.716 2.559 3.018 0.018 5 0 "[ . 1 .]" 1
407 1 38 VAL H 1 38 VAL MG1 6.400 . 6.400 3.266 2.003 3.868 . 0 0 "[ . 1 .]" 1
408 1 38 VAL H 1 38 VAL MG2 4.600 . 4.600 3.195 2.678 3.953 . 0 0 "[ . 1 .]" 1
409 1 38 VAL HA 1 39 LYS H 2.400 . 2.400 2.276 2.226 2.355 . 0 0 "[ . 1 .]" 1
410 1 38 VAL HA 1 51 GLY HA2 2.400 2.200 2.400 2.003 1.874 2.098 0.326 11 0 "[ . 1 .]" 1
411 1 38 VAL HA 1 51 GLY HA3 2.800 . 2.800 2.861 2.740 3.014 0.214 9 0 "[ . 1 .]" 1
412 1 38 VAL HA 1 52 ARG H 3.400 . 3.400 3.341 3.213 3.438 0.038 3 0 "[ . 1 .]" 1
413 1 38 VAL HA 1 73 VAL MG2 6.800 4.400 6.800 4.906 4.619 5.483 . 0 0 "[ . 1 .]" 1
414 1 38 VAL HB 1 39 LYS H 4.600 . 4.600 4.245 4.110 4.353 . 0 0 "[ . 1 .]" 1
415 1 38 VAL MG1 1 39 LYS H 5.400 . 5.400 3.006 2.415 3.667 . 0 0 "[ . 1 .]" 1
416 1 38 VAL MG2 1 39 LYS H 5.600 2.200 5.600 3.507 2.231 4.128 . 0 0 "[ . 1 .]" 1
417 1 38 VAL MG2 1 51 GLY HA2 5.400 . 5.400 3.182 2.889 3.413 . 0 0 "[ . 1 .]" 1
418 1 38 VAL MG2 1 51 GLY HA3 4.400 . 4.400 2.773 2.503 3.234 . 0 0 "[ . 1 .]" 1
419 1 39 LYS H 1 39 LYS HA 2.900 . 2.900 2.975 2.948 2.998 0.098 15 0 "[ . 1 .]" 1
420 1 39 LYS H 1 39 LYS HB2 3.400 . 3.400 2.918 2.434 3.690 0.290 8 0 "[ . 1 .]" 1
421 1 39 LYS H 1 39 LYS HB3 3.400 . 3.400 3.140 2.783 3.470 0.070 10 0 "[ . 1 .]" 1
422 1 39 LYS H 1 39 LYS QG 5.800 . 5.800 3.967 2.065 4.306 . 0 0 "[ . 1 .]" 1
423 1 39 LYS H 1 50 LYS H 3.400 . 3.400 3.482 3.248 3.599 0.199 11 0 "[ . 1 .]" 1
424 1 39 LYS H 1 50 LYS O 2.200 . 2.400 1.843 1.791 1.921 0.109 5 0 "[ . 1 .]" 1
425 1 39 LYS H 1 51 GLY H 5.200 . 5.200 4.578 4.321 4.841 . 0 0 "[ . 1 .]" 1
426 1 39 LYS H 1 51 GLY HA2 3.600 . 3.600 2.817 2.572 3.099 . 0 0 "[ . 1 .]" 1
427 1 39 LYS H 1 51 GLY HA3 4.000 . 4.000 4.052 3.883 4.159 0.159 11 0 "[ . 1 .]" 1
428 1 39 LYS HA 1 40 PRO HD2 2.600 . 2.600 2.172 2.060 2.320 . 0 0 "[ . 1 .]" 1
429 1 39 LYS HA 1 40 PRO HD3 2.600 . 2.600 2.308 2.113 2.611 0.011 15 0 "[ . 1 .]" 1
430 1 40 PRO HA 1 41 TYR H 2.400 . 2.400 2.370 2.308 2.494 0.094 11 0 "[ . 1 .]" 1
431 1 40 PRO HA 1 49 TYR HA 2.400 2.200 2.400 2.090 1.972 2.182 0.228 2 0 "[ . 1 .]" 1
432 1 40 PRO HA 1 49 TYR HB2 5.000 . 5.000 4.889 4.574 5.122 0.122 15 0 "[ . 1 .]" 1
433 1 40 PRO HA 1 49 TYR HB3 5.000 . 5.000 4.646 4.021 4.806 . 0 0 "[ . 1 .]" 1
434 1 40 PRO HA 1 50 LYS H 3.400 . 3.400 2.542 2.213 3.160 . 0 0 "[ . 1 .]" 1
435 1 40 PRO HB2 1 41 TYR H 3.600 . 3.600 2.933 2.629 3.134 . 0 0 "[ . 1 .]" 1
436 1 40 PRO HB2 1 49 TYR HA 5.000 . 5.000 3.759 3.054 4.568 . 0 0 "[ . 1 .]" 1
437 1 40 PRO HB3 1 41 TYR H 3.600 . 3.600 3.695 3.563 3.811 0.211 5 0 "[ . 1 .]" 1
438 1 40 PRO HB3 1 49 TYR HA 5.000 . 5.000 2.782 1.961 3.990 0.039 11 0 "[ . 1 .]" 1
439 1 40 PRO HB3 1 49 TYR QE 4.400 2.400 4.400 3.103 2.620 3.871 . 0 0 "[ . 1 .]" 1
440 1 40 PRO QG 1 49 TYR QE 4.400 4.400 4.400 3.492 2.927 4.137 1.473 6 12 "[*****+- ** ***]" 1
441 1 41 TYR H 1 41 TYR HA 2.900 . 2.900 2.991 2.955 3.000 0.100 9 0 "[ . 1 .]" 1
442 1 41 TYR H 1 41 TYR HB2 3.600 . 3.600 2.774 2.581 3.728 0.128 11 0 "[ . 1 .]" 1
443 1 41 TYR H 1 41 TYR HB3 3.600 . 3.600 3.763 3.683 3.791 0.191 14 0 "[ . 1 .]" 1
444 1 41 TYR H 1 42 LEU H 4.600 . 4.600 4.382 4.341 4.449 . 0 0 "[ . 1 .]" 1
445 1 41 TYR H 1 47 VAL HA 4.800 4.000 4.800 4.921 4.837 5.014 0.214 13 0 "[ . 1 .]" 1
446 1 41 TYR H 1 47 VAL QG 5.800 . 5.800 3.783 3.432 4.096 . 0 0 "[ . 1 .]" 1
447 1 41 TYR H 1 48 TYR H 3.200 2.800 3.200 3.209 3.030 3.313 0.113 8 0 "[ . 1 .]" 1
448 1 41 TYR H 1 48 TYR O 2.200 . 2.400 1.915 1.801 2.005 0.099 6 0 "[ . 1 .]" 1
449 1 41 TYR H 1 49 TYR HA 3.600 2.200 3.600 3.307 2.843 3.485 . 0 0 "[ . 1 .]" 1
450 1 41 TYR HA 1 42 LEU H 2.400 . 2.400 2.650 2.543 2.715 0.315 14 0 "[ . 1 .]" 1
451 1 41 TYR HB2 1 42 LEU H 2.800 . 2.800 3.014 2.135 3.249 0.449 7 0 "[ . 1 .]" 1
452 1 41 TYR HB3 1 42 LEU H 2.800 . 2.800 2.251 1.953 3.243 0.443 11 0 "[ . 1 .]" 1
453 1 41 TYR HE2 1 50 LYS HB2 3.000 . 3.000 2.504 1.940 3.084 0.084 2 0 "[ . 1 .]" 1
454 1 41 TYR HE2 1 50 LYS HB3 3.000 . 3.000 2.206 1.833 3.011 0.167 5 0 "[ . 1 .]" 1
455 1 41 TYR O 1 48 TYR H 2.200 . 2.400 2.342 2.089 2.460 0.060 6 0 "[ . 1 .]" 1
456 1 42 LEU H 1 42 LEU HA 2.900 . 2.900 2.984 2.960 2.999 0.099 11 0 "[ . 1 .]" 1
457 1 42 LEU H 1 42 LEU HB2 2.800 . 2.800 2.801 2.586 2.947 0.147 12 0 "[ . 1 .]" 1
458 1 42 LEU H 1 42 LEU HB3 3.000 . 3.000 3.000 2.811 3.099 0.099 5 0 "[ . 1 .]" 1
459 1 42 LEU H 1 42 LEU MD1 6.400 . 6.400 4.272 3.998 4.519 . 0 0 "[ . 1 .]" 1
460 1 42 LEU H 1 42 LEU MD2 6.400 . 6.400 4.530 4.279 4.701 . 0 0 "[ . 1 .]" 1
461 1 42 LEU H 1 42 LEU HG 4.600 3.800 4.600 4.548 4.441 4.636 0.036 5 0 "[ . 1 .]" 1
462 1 42 LEU H 1 43 LYS H 4.600 . 4.600 4.426 4.354 4.538 . 0 0 "[ . 1 .]" 1
463 1 42 LEU HA 1 43 LYS H 2.400 . 2.400 2.283 2.227 2.383 . 0 0 "[ . 1 .]" 1
464 1 42 LEU HA 1 46 GLN H 4.800 4.200 4.800 4.756 4.593 4.834 0.034 9 0 "[ . 1 .]" 1
465 1 42 LEU HA 1 47 VAL HA 2.600 2.300 2.600 2.322 2.201 2.628 0.099 15 0 "[ . 1 .]" 1
466 1 42 LEU HA 1 47 VAL QG 7.000 . 7.000 3.051 2.716 3.514 . 0 0 "[ . 1 .]" 1
467 1 42 LEU HA 1 48 TYR H 3.200 2.800 3.200 3.118 2.814 3.303 0.103 15 0 "[ . 1 .]" 1
468 1 42 LEU HB2 1 43 LYS H 4.400 2.400 4.400 4.269 4.145 4.375 . 0 0 "[ . 1 .]" 1
469 1 42 LEU HB3 1 43 LYS H 3.600 2.200 3.600 3.602 3.384 3.720 0.120 2 0 "[ . 1 .]" 1
470 1 42 LEU MD1 1 43 LYS H 5.800 3.000 5.800 3.885 3.289 4.248 . 0 0 "[ . 1 .]" 1
471 1 42 LEU MD2 1 43 LYS H 5.800 3.000 5.800 3.202 2.372 4.039 0.628 12 2 "[ . - 1 + .]" 1
472 1 42 LEU HG 1 43 LYS H 2.600 . 2.600 2.424 1.992 2.615 0.015 4 0 "[ . 1 .]" 1
473 1 43 LYS H 1 43 LYS HA 2.900 . 2.900 2.997 2.992 3.000 0.100 3 0 "[ . 1 .]" 1
474 1 43 LYS H 1 43 LYS HB2 2.800 . 2.800 2.603 2.448 2.780 . 0 0 "[ . 1 .]" 1
475 1 43 LYS H 1 43 LYS HB3 2.800 . 2.800 2.875 2.716 2.968 0.168 12 0 "[ . 1 .]" 1
476 1 43 LYS H 1 44 ARG H 4.600 2.200 4.600 4.466 4.436 4.506 . 0 0 "[ . 1 .]" 1
477 1 43 LYS H 1 45 PHE H 4.800 3.800 4.800 4.307 4.217 4.375 . 0 0 "[ . 1 .]" 1
478 1 43 LYS H 1 46 GLN H 2.800 2.200 2.800 2.784 2.697 2.849 0.049 9 0 "[ . 1 .]" 1
479 1 43 LYS H 1 46 GLN HA 4.800 4.400 4.800 4.728 4.649 4.808 0.008 9 0 "[ . 1 .]" 1
480 1 43 LYS H 1 46 GLN O 2.100 . 2.100 1.869 1.802 1.927 0.098 5 0 "[ . 1 .]" 1
481 1 43 LYS H 1 47 VAL HA 3.600 3.000 3.600 3.334 3.119 3.635 0.035 12 0 "[ . 1 .]" 1
482 1 43 LYS H 1 48 TYR H 4.800 4.200 4.800 4.491 4.118 5.169 0.369 12 0 "[ . 1 .]" 1
483 1 43 LYS HA 1 44 ARG H 2.600 2.200 2.600 2.561 2.527 2.599 . 0 0 "[ . 1 .]" 1
484 1 43 LYS HB2 1 44 ARG H 4.000 . 4.000 3.958 3.869 4.013 0.013 2 0 "[ . 1 .]" 1
485 1 43 LYS HB3 1 44 ARG H 4.000 . 4.000 3.010 2.859 3.171 . 0 0 "[ . 1 .]" 1
486 1 43 LYS O 1 46 GLN H 2.600 . 2.600 2.570 2.502 2.605 0.005 11 0 "[ . 1 .]" 1
487 1 44 ARG H 1 44 ARG HA 2.600 2.200 2.600 2.743 2.706 2.767 0.167 1 0 "[ . 1 .]" 1
488 1 44 ARG H 1 44 ARG HB2 4.000 . 4.000 2.337 1.993 3.570 0.007 7 0 "[ . 1 .]" 1
489 1 44 ARG H 1 44 ARG HB3 4.000 . 4.000 3.432 2.422 3.575 . 0 0 "[ . 1 .]" 1
490 1 44 ARG H 1 45 PHE H 3.000 2.600 3.000 3.022 2.932 3.134 0.134 14 0 "[ . 1 .]" 1
491 1 44 ARG H 1 46 GLN H 4.800 4.200 4.800 4.370 4.171 4.525 0.029 15 0 "[ . 1 .]" 1
492 1 44 ARG HA 1 45 PHE H 3.400 2.400 3.400 3.561 3.539 3.573 0.173 14 0 "[ . 1 .]" 1
493 1 44 ARG HB2 1 45 PHE H 4.000 . 4.000 2.862 2.449 3.677 . 0 0 "[ . 1 .]" 1
494 1 44 ARG HB3 1 45 PHE H 4.000 . 4.000 3.364 2.860 3.956 . 0 0 "[ . 1 .]" 1
495 1 45 PHE H 1 45 PHE HA 2.800 2.200 2.800 2.947 2.927 2.957 0.157 9 0 "[ . 1 .]" 1
496 1 45 PHE H 1 45 PHE HB2 4.000 . 4.000 3.256 2.730 3.941 . 0 0 "[ . 1 .]" 1
497 1 45 PHE H 1 45 PHE HB3 4.800 2.800 4.800 3.401 3.120 3.563 . 0 0 "[ . 1 .]" 1
498 1 45 PHE H 1 46 GLN H 2.800 . 2.800 2.337 2.117 2.506 . 0 0 "[ . 1 .]" 1
499 1 45 PHE HA 1 46 GLN H 3.200 . 3.200 2.922 2.820 3.051 . 0 0 "[ . 1 .]" 1
500 1 45 PHE HB2 1 46 GLN H 4.800 3.200 4.800 4.456 4.231 4.602 . 0 0 "[ . 1 .]" 1
501 1 45 PHE HB3 1 46 GLN H 4.800 3.200 4.800 4.417 4.177 4.710 . 0 0 "[ . 1 .]" 1
502 1 46 GLN H 1 46 GLN HA 2.900 . 2.900 2.954 2.936 2.989 0.089 15 0 "[ . 1 .]" 1
503 1 46 GLN H 1 46 GLN QB 4.400 . 4.400 2.673 2.533 2.741 . 0 0 "[ . 1 .]" 1
504 1 46 GLN H 1 47 VAL H 4.600 2.600 4.600 4.355 4.252 4.431 . 0 0 "[ . 1 .]" 1
505 1 46 GLN HA 1 47 VAL H 2.400 . 2.400 2.317 2.227 2.478 0.078 8 0 "[ . 1 .]" 1
506 1 46 GLN QB 1 47 VAL H 4.400 . 4.400 3.086 2.619 3.381 . 0 0 "[ . 1 .]" 1
507 1 46 GLN QB 1 48 TYR QD 4.400 3.000 4.400 3.201 2.896 3.576 0.104 2 0 "[ . 1 .]" 1
508 1 46 GLN QB 1 48 TYR QE 2.800 2.400 2.800 2.144 1.929 2.524 0.471 7 0 "[ . 1 .]" 1
509 1 47 VAL H 1 47 VAL HA 2.900 . 2.900 2.992 2.979 3.007 0.107 12 0 "[ . 1 .]" 1
510 1 47 VAL H 1 47 VAL HB 2.800 . 2.800 2.464 2.323 2.628 . 0 0 "[ . 1 .]" 1
511 1 47 VAL H 1 47 VAL QG . . 4.600 2.478 2.266 2.779 . 0 0 "[ . 1 .]" 1
512 1 47 VAL H 1 48 TYR H 4.600 . 4.600 4.453 4.259 4.607 0.007 13 0 "[ . 1 .]" 1
513 1 47 VAL HA 1 48 TYR H 2.400 . 2.400 2.239 2.208 2.304 . 0 0 "[ . 1 .]" 1
514 1 47 VAL HA 1 48 TYR QD 4.400 3.800 4.400 3.772 3.677 4.070 0.123 11 0 "[ . 1 .]" 1
515 1 47 VAL HB 1 48 TYR H 4.800 . 4.800 4.240 4.006 4.357 . 0 0 "[ . 1 .]" 1
516 1 47 VAL QG 1 48 TYR H 5.400 . 5.400 2.736 2.347 2.972 . 0 0 "[ . 1 .]" 1
517 1 47 VAL QG 1 49 TYR QD 4.800 2.400 4.800 3.068 2.419 3.505 . 0 0 "[ . 1 .]" 1
518 1 47 VAL QG 1 49 TYR QE 4.800 2.400 4.800 3.255 2.099 3.923 0.301 8 0 "[ . 1 .]" 1
519 1 48 TYR H 1 48 TYR HA 2.900 . 2.900 2.994 2.978 3.002 0.102 10 0 "[ . 1 .]" 1
520 1 48 TYR H 1 48 TYR HB2 4.000 . 4.000 2.358 2.227 2.555 . 0 0 "[ . 1 .]" 1
521 1 48 TYR H 1 48 TYR HB3 4.000 . 4.000 3.604 3.508 3.724 . 0 0 "[ . 1 .]" 1
522 1 48 TYR H 1 49 TYR H 4.600 . 4.600 4.496 4.274 4.613 0.013 9 0 "[ . 1 .]" 1
523 1 48 TYR HA 1 49 TYR H 2.400 . 2.400 2.308 2.205 2.401 0.001 4 0 "[ . 1 .]" 1
524 1 48 TYR HB2 1 49 TYR H 4.400 . 4.400 4.159 3.960 4.413 0.013 8 0 "[ . 1 .]" 1
525 1 48 TYR HB3 1 49 TYR H 3.600 . 3.600 3.018 2.689 3.549 . 0 0 "[ . 1 .]" 1
526 1 48 TYR QD 1 67 THR HA 4.400 3.000 4.400 4.237 3.328 4.863 0.463 12 0 "[ . 1 .]" 1
527 1 48 TYR QD 1 68 ARG H 4.800 3.400 4.800 4.744 3.509 5.880 1.080 9 2 "[ . +1 - .]" 1
528 1 49 TYR H 1 49 TYR HA 2.900 . 2.900 2.988 2.965 2.999 0.099 10 0 "[ . 1 .]" 1
529 1 49 TYR H 1 49 TYR HB2 3.400 . 3.400 2.235 2.063 2.429 . 0 0 "[ . 1 .]" 1
530 1 49 TYR H 1 49 TYR HB3 3.400 . 3.400 3.301 3.160 3.657 0.257 9 0 "[ . 1 .]" 1
531 1 49 TYR H 1 50 LYS H 4.600 . 4.600 4.478 4.320 4.621 0.021 6 0 "[ . 1 .]" 1
532 1 49 TYR H 1 67 THR H 4.400 2.600 4.400 3.434 3.030 3.728 . 0 0 "[ . 1 .]" 1
533 1 49 TYR H 1 68 ARG HA 4.200 . 4.200 3.178 2.563 3.683 . 0 0 "[ . 1 .]" 1
534 1 49 TYR HA 1 50 LYS H 2.400 . 2.400 2.253 2.200 2.378 . 0 0 "[ . 1 .]" 1
535 1 49 TYR HB2 1 50 LYS H 4.400 . 4.400 4.442 4.246 4.600 0.200 1 0 "[ . 1 .]" 1
536 1 49 TYR HB2 1 67 THR MG 5.400 . 5.400 3.836 3.048 4.249 . 0 0 "[ . 1 .]" 1
537 1 49 TYR HB3 1 50 LYS H 4.400 . 4.400 3.485 3.106 3.838 . 0 0 "[ . 1 .]" 1
538 1 49 TYR HB3 1 67 THR MG 5.400 . 5.400 3.555 3.360 3.924 . 0 0 "[ . 1 .]" 1
539 1 49 TYR QE 1 70 GLN HB3 4.400 . 4.400 3.566 2.180 4.391 . 0 0 "[ . 1 .]" 1
540 1 49 TYR QE 1 70 GLN HG2 4.400 . 4.400 3.180 2.543 4.492 0.092 8 0 "[ . 1 .]" 1
541 1 50 LYS H 1 50 LYS HA 2.900 . 2.900 2.987 2.951 3.002 0.102 8 0 "[ . 1 .]" 1
542 1 50 LYS H 1 50 LYS HB2 3.400 . 3.400 2.985 2.338 3.428 0.028 6 0 "[ . 1 .]" 1
543 1 50 LYS H 1 50 LYS HB3 3.400 . 3.400 2.799 2.568 3.339 . 0 0 "[ . 1 .]" 1
544 1 50 LYS HA 1 51 GLY H 2.400 . 2.400 2.362 2.295 2.438 0.038 13 0 "[ . 1 .]" 1
545 1 50 LYS HA 1 65 ALA H 5.200 . 5.200 4.847 4.666 5.033 . 0 0 "[ . 1 .]" 1
546 1 50 LYS HA 1 66 SER HA 2.300 2.100 2.300 2.057 1.984 2.155 0.116 6 0 "[ . 1 .]" 1
547 1 50 LYS HA 1 66 SER HB2 5.200 . 5.200 4.138 3.274 4.923 . 0 0 "[ . 1 .]" 1
548 1 50 LYS HA 1 66 SER HB3 5.200 . 5.200 2.807 2.179 3.740 . 0 0 "[ . 1 .]" 1
549 1 50 LYS HA 1 67 THR H 4.400 . 4.400 3.460 3.374 3.586 . 0 0 "[ . 1 .]" 1
550 1 50 LYS HA 1 73 VAL MG1 7.400 . 7.400 3.961 3.348 4.334 . 0 0 "[ . 1 .]" 1
551 1 50 LYS HA 1 73 VAL MG2 6.400 . 6.400 2.234 1.791 2.552 0.209 7 0 "[ . 1 .]" 1
552 1 50 LYS HB2 1 51 GLY H 4.000 . 4.000 4.093 4.013 4.231 0.231 7 0 "[ . 1 .]" 1
553 1 50 LYS HB2 1 66 SER HA 5.200 . 5.200 4.032 3.150 4.642 . 0 0 "[ . 1 .]" 1
554 1 50 LYS HB3 1 51 GLY H 4.000 . 4.000 3.688 2.826 4.041 0.041 4 0 "[ . 1 .]" 1
555 1 50 LYS HB3 1 66 SER HA 5.200 . 5.200 4.902 4.516 5.163 . 0 0 "[ . 1 .]" 1
556 1 51 GLY H 1 51 GLY HA2 2.900 2.500 2.900 2.942 2.904 2.967 0.067 3 0 "[ . 1 .]" 1
557 1 51 GLY H 1 51 GLY HA3 2.600 . 2.600 2.701 2.650 2.765 0.165 1 0 "[ . 1 .]" 1
558 1 51 GLY H 1 52 ARG H 4.600 . 4.600 4.355 4.229 4.423 . 0 0 "[ . 1 .]" 1
559 1 51 GLY H 1 64 GLU HA 5.200 . 5.200 4.821 4.628 5.034 . 0 0 "[ . 1 .]" 1
560 1 51 GLY H 1 65 ALA H 3.600 2.200 3.600 3.002 2.774 3.178 . 0 0 "[ . 1 .]" 1
561 1 51 GLY H 1 65 ALA O 2.200 . 2.400 2.022 1.947 2.260 . 0 0 "[ . 1 .]" 1
562 1 51 GLY H 1 66 SER HA 3.600 2.200 3.600 3.440 3.127 3.645 0.045 8 0 "[ . 1 .]" 1
563 1 51 GLY H 1 73 VAL MG1 4.800 . 4.800 4.050 3.443 4.614 . 0 0 "[ . 1 .]" 1
564 1 51 GLY H 1 77 THR MG 7.000 . 7.000 4.675 3.469 4.934 . 0 0 "[ . 1 .]" 1
565 1 51 GLY HA2 1 52 ARG H 2.400 . 2.400 2.288 2.216 2.386 . 0 0 "[ . 1 .]" 1
566 1 51 GLY HA3 1 52 ARG H 3.200 2.800 3.200 2.965 2.810 3.133 . 0 0 "[ . 1 .]" 1
567 1 51 GLY O 1 65 ALA H 2.200 . 2.400 2.005 1.892 2.109 0.008 7 0 "[ . 1 .]" 1
568 1 52 ARG H 1 52 ARG HA 2.900 . 2.900 2.978 2.952 2.995 0.095 12 0 "[ . 1 .]" 1
569 1 52 ARG H 1 52 ARG HB2 3.400 . 3.400 2.993 2.392 3.332 . 0 0 "[ . 1 .]" 1
570 1 52 ARG H 1 52 ARG HB3 3.400 . 3.400 2.960 2.671 3.528 0.128 9 0 "[ . 1 .]" 1
571 1 52 ARG H 1 53 MET H 4.600 . 4.600 4.373 4.257 4.458 . 0 0 "[ . 1 .]" 1
572 1 52 ARG HA 1 53 MET H 2.400 . 2.400 2.291 2.238 2.347 . 0 0 "[ . 1 .]" 1
573 1 52 ARG HA 1 63 GLY H 5.200 . 5.200 4.854 4.701 5.077 . 0 0 "[ . 1 .]" 1
574 1 52 ARG HA 1 64 GLU HA 2.400 2.200 2.400 2.091 2.005 2.187 0.195 15 0 "[ . 1 .]" 1
575 1 52 ARG HA 1 64 GLU HG2 5.000 . 5.000 4.286 2.916 5.099 0.099 7 0 "[ . 1 .]" 1
576 1 52 ARG HA 1 64 GLU HG3 5.000 . 5.000 4.051 2.737 5.295 0.295 7 0 "[ . 1 .]" 1
577 1 52 ARG HA 1 65 ALA H 3.400 . 3.400 3.565 3.458 3.643 0.243 9 0 "[ . 1 .]" 1
578 1 52 ARG HA 1 77 THR MG 4.000 3.000 4.000 2.295 2.193 2.427 0.807 2 15 [*+********-****] 1
579 1 52 ARG HD2 1 64 GLU HA 5.000 . 5.000 4.815 4.206 5.095 0.095 11 0 "[ . 1 .]" 1
580 1 52 ARG HD3 1 64 GLU HA 5.000 . 5.000 4.463 3.954 5.030 0.030 7 0 "[ . 1 .]" 1
581 1 53 MET H 1 53 MET HA 2.900 . 2.900 2.979 2.965 2.993 0.093 7 0 "[ . 1 .]" 1
582 1 53 MET H 1 53 MET HB2 4.400 . 4.400 3.893 3.837 3.941 . 0 0 "[ . 1 .]" 1
583 1 53 MET H 1 53 MET HB3 3.600 2.200 3.600 3.047 2.909 3.120 . 0 0 "[ . 1 .]" 1
584 1 53 MET H 1 54 TRP H 4.600 . 4.600 4.435 4.388 4.466 . 0 0 "[ . 1 .]" 1
585 1 53 MET H 1 63 GLY H 3.400 . 3.400 3.071 2.892 3.156 . 0 0 "[ . 1 .]" 1
586 1 53 MET H 1 63 GLY O 2.200 . 2.400 1.924 1.864 2.025 0.036 5 0 "[ . 1 .]" 1
587 1 53 MET H 1 64 GLU H 5.200 . 5.200 4.852 4.709 4.968 . 0 0 "[ . 1 .]" 1
588 1 53 MET H 1 64 GLU HA 3.400 . 3.400 3.346 3.171 3.459 0.059 5 0 "[ . 1 .]" 1
589 1 53 MET HA 1 54 TRP H 2.900 . 2.900 2.305 2.250 2.356 . 0 0 "[ . 1 .]" 1
590 1 53 MET HA 1 77 THR MG 6.200 . 6.200 3.853 3.565 4.650 . 0 0 "[ . 1 .]" 1
591 1 53 MET HB2 1 54 TRP H 3.400 . 3.400 2.911 2.799 3.037 . 0 0 "[ . 1 .]" 1
592 1 53 MET HB3 1 54 TRP H 4.000 . 4.000 4.127 4.023 4.204 0.204 9 0 "[ . 1 .]" 1
593 1 53 MET HB3 1 77 THR MG 5.000 . 5.000 2.162 1.827 3.187 0.173 4 0 "[ . 1 .]" 1
594 1 53 MET HG3 1 77 THR MG 5.000 . 5.000 2.986 2.342 3.828 . 0 0 "[ . 1 .]" 1
595 1 54 TRP H 1 54 TRP HA 2.900 . 2.900 2.940 2.907 2.961 0.061 7 0 "[ . 1 .]" 1
596 1 54 TRP H 1 54 TRP HB2 4.600 . 4.600 3.948 3.895 4.028 . 0 0 "[ . 1 .]" 1
597 1 54 TRP H 1 54 TRP HB3 4.600 . 4.600 3.388 3.277 3.459 . 0 0 "[ . 1 .]" 1
598 1 54 TRP H 1 55 CYS H 4.600 . 4.600 4.381 4.314 4.434 . 0 0 "[ . 1 .]" 1
599 1 54 TRP HA 1 55 CYS H 2.900 . 2.900 2.460 2.292 2.749 . 0 0 "[ . 1 .]" 1
600 1 54 TRP HA 1 62 ARG HA 3.200 2.800 3.200 2.569 2.430 2.677 0.370 10 0 "[ . 1 .]" 1
601 1 54 TRP HA 1 62 ARG HB2 5.000 . 5.000 4.333 3.238 5.032 0.032 14 0 "[ . 1 .]" 1
602 1 54 TRP HA 1 62 ARG HB3 5.000 . 5.000 3.719 2.368 4.327 . 0 0 "[ . 1 .]" 1
603 1 54 TRP HB2 1 55 CYS H 4.800 . 4.800 2.677 2.089 3.060 . 0 0 "[ . 1 .]" 1
604 1 54 TRP HB2 1 62 ARG HA 4.400 . 4.400 3.612 2.856 4.473 0.073 8 0 "[ . 1 .]" 1
605 1 54 TRP HB3 1 55 CYS H 4.800 . 4.800 3.935 3.617 4.143 . 0 0 "[ . 1 .]" 1
606 1 54 TRP HB3 1 62 ARG HA 4.400 . 4.400 3.192 2.402 4.037 . 0 0 "[ . 1 .]" 1
607 1 54 TRP HD1 1 56 PRO HD2 3.400 . 3.400 3.578 3.531 3.623 0.223 9 0 "[ . 1 .]" 1
608 1 54 TRP HD1 1 56 PRO HD3 3.400 . 3.400 1.899 1.852 1.974 0.148 6 0 "[ . 1 .]" 1
609 1 55 CYS H 1 55 CYS HA 2.900 . 2.900 2.993 2.984 2.999 0.099 14 0 "[ . 1 .]" 1
610 1 55 CYS H 1 55 CYS HB2 4.600 . 4.600 2.451 2.363 2.542 . 0 0 "[ . 1 .]" 1
611 1 55 CYS H 1 55 CYS HB3 4.600 . 4.600 3.679 3.631 3.741 . 0 0 "[ . 1 .]" 1
612 1 55 CYS H 1 61 ILE H 4.400 . 4.400 4.168 3.798 4.407 0.007 3 0 "[ . 1 .]" 1
613 1 55 CYS H 1 62 ARG HA 4.800 . 4.800 4.050 3.705 4.362 . 0 0 "[ . 1 .]" 1
614 1 55 CYS HA 1 56 PRO HD2 2.800 . 2.800 2.131 2.049 2.206 . 0 0 "[ . 1 .]" 1
615 1 55 CYS HA 1 56 PRO HD3 2.800 . 2.800 2.538 2.467 2.619 . 0 0 "[ . 1 .]" 1
616 1 55 CYS HB2 1 58 TRP HE3 4.000 . 4.000 3.257 2.872 3.786 . 0 0 "[ . 1 .]" 1
617 1 55 CYS HB3 1 58 TRP HE3 4.000 . 4.000 3.093 2.597 3.962 . 0 0 "[ . 1 .]" 1
618 1 55 CYS HB3 1 59 THR MG 5.800 3.000 5.800 3.659 3.462 4.011 . 0 0 "[ . 1 .]" 1
619 1 56 PRO HA 1 57 GLY H 2.400 . 2.400 2.396 2.336 2.452 0.052 2 0 "[ . 1 .]" 1
620 1 56 PRO HA 1 58 TRP H 4.400 4.000 4.400 4.501 4.456 4.556 0.156 2 0 "[ . 1 .]" 1
621 1 56 PRO HB2 1 57 GLY H 4.600 . 4.600 4.239 4.167 4.290 . 0 0 "[ . 1 .]" 1
622 1 56 PRO HB3 1 57 GLY H 4.600 . 4.600 4.550 4.492 4.594 . 0 0 "[ . 1 .]" 1
623 1 57 GLY H 1 57 GLY HA2 2.900 . 2.900 2.700 2.648 2.771 . 0 0 "[ . 1 .]" 1
624 1 57 GLY H 1 57 GLY HA3 2.800 . 2.800 2.943 2.904 2.966 0.166 14 0 "[ . 1 .]" 1
625 1 57 GLY H 1 58 TRP H 2.600 . 2.600 2.524 2.454 2.651 0.051 7 0 "[ . 1 .]" 1
626 1 57 GLY HA2 1 58 TRP H 3.600 . 3.600 3.577 3.569 3.587 . 0 0 "[ . 1 .]" 1
627 1 57 GLY HA3 1 58 TRP H 3.600 . 3.600 2.771 2.723 2.814 . 0 0 "[ . 1 .]" 1
628 1 58 TRP H 1 58 TRP HA 2.700 . 2.700 2.898 2.883 2.920 0.220 6 0 "[ . 1 .]" 1
629 1 58 TRP H 1 58 TRP HB2 2.800 . 2.800 2.467 2.393 2.559 . 0 0 "[ . 1 .]" 1
630 1 58 TRP H 1 58 TRP HB3 2.800 . 2.800 2.428 2.278 2.547 . 0 0 "[ . 1 .]" 1
631 1 58 TRP H 1 59 THR H 2.800 . 2.800 2.726 2.504 2.821 0.021 14 0 "[ . 1 .]" 1
632 1 58 TRP HA 1 59 THR H 3.600 . 3.600 3.586 3.564 3.593 . 0 0 "[ . 1 .]" 1
633 1 58 TRP HB2 1 59 THR H 3.400 . 3.400 3.638 3.574 3.682 0.282 5 0 "[ . 1 .]" 1
634 1 58 TRP HB3 1 59 THR H 3.400 . 3.400 2.198 2.079 2.412 . 0 0 "[ . 1 .]" 1
635 1 58 TRP HD1 1 90 LEU QD 6.800 . 6.800 4.056 3.440 4.635 . 0 0 "[ . 1 .]" 1
636 1 58 TRP HE3 1 59 THR MG 5.800 3.000 5.800 3.269 2.368 3.722 0.632 5 1 "[ + 1 .]" 1
637 1 58 TRP HH2 1 91 ILE MD 6.800 2.800 6.800 3.009 1.948 4.143 0.852 11 3 "[ . 1+- *]" 1
638 1 58 TRP HH2 1 91 ILE MG 6.800 2.800 6.800 4.282 3.878 5.224 . 0 0 "[ . 1 .]" 1
639 1 58 TRP HZ2 1 90 LEU QD 6.400 . 6.400 2.798 2.078 4.063 . 0 0 "[ . 1 .]" 1
640 1 59 THR H 1 59 THR HA 2.800 . 2.800 2.954 2.937 2.975 0.175 15 0 "[ . 1 .]" 1
641 1 59 THR H 1 59 THR HB 4.800 3.400 4.800 3.288 3.210 3.359 0.190 9 0 "[ . 1 .]" 1
642 1 59 THR H 1 59 THR MG 4.400 . 4.400 2.173 2.082 2.278 . 0 0 "[ . 1 .]" 1
643 1 59 THR H 1 60 ALA H 4.000 . 4.000 4.325 4.290 4.362 0.362 6 0 "[ . 1 .]" 1
644 1 59 THR HA 1 60 ALA H 3.400 . 3.400 2.773 2.663 2.843 . 0 0 "[ . 1 .]" 1
645 1 59 THR HB 1 60 ALA H 4.800 2.400 4.800 3.602 3.544 3.691 . 0 0 "[ . 1 .]" 1
646 1 59 THR HB 1 90 LEU QD 5.000 2.400 5.000 2.183 1.889 2.468 0.511 9 1 "[ . +1 .]" 1
647 1 59 THR MG 1 60 ALA H 5.400 3.000 5.400 2.864 2.577 3.063 0.423 1 0 "[ . 1 .]" 1
648 1 59 THR MG 1 61 ILE H 4.800 3.000 4.800 2.270 1.997 2.486 1.003 6 15 [-****+*********] 1
649 1 59 THR MG 1 61 ILE MD 7.400 4.400 7.400 2.751 2.357 3.747 2.043 4 15 [***+**-********] 1
650 1 59 THR MG 1 81 PHE HE1 4.800 . 4.800 3.671 2.978 4.750 . 0 0 "[ . 1 .]" 1
651 1 59 THR MG 1 81 PHE HZ . . 4.200 2.979 2.682 3.597 . 0 0 "[ . 1 .]" 1
652 1 59 THR MG 1 90 LEU QD 5.800 4.200 5.800 2.111 1.897 2.451 2.303 3 15 [**+*********-**] 1
653 1 60 ALA H 1 60 ALA HA 2.900 . 2.900 3.000 2.997 3.001 0.101 2 0 "[ . 1 .]" 1
654 1 60 ALA H 1 60 ALA MB 4.400 . 4.400 2.339 2.278 2.396 . 0 0 "[ . 1 .]" 1
655 1 60 ALA H 1 61 ILE H 3.400 2.400 3.400 3.055 2.872 3.430 0.030 1 0 "[ . 1 .]" 1
656 1 60 ALA HA 1 61 ILE H 3.500 2.300 3.500 2.758 2.546 2.874 . 0 0 "[ . 1 .]" 1
657 1 60 ALA MB 1 61 ILE H 5.800 . 5.800 3.712 3.671 3.743 . 0 0 "[ . 1 .]" 1
658 1 61 ILE H 1 61 ILE HA 2.900 . 2.900 2.998 2.986 3.002 0.102 10 0 "[ . 1 .]" 1
659 1 61 ILE H 1 61 ILE HB 4.400 . 4.400 2.488 2.353 2.902 . 0 0 "[ . 1 .]" 1
660 1 61 ILE H 1 61 ILE MG 5.800 . 5.800 3.494 2.384 3.799 . 0 0 "[ . 1 .]" 1
661 1 61 ILE H 1 62 ARG H 4.600 . 4.600 4.503 4.442 4.544 . 0 0 "[ . 1 .]" 1
662 1 61 ILE H 1 90 LEU QD 6.800 4.000 6.800 4.619 4.022 4.996 . 0 0 "[ . 1 .]" 1
663 1 61 ILE HA 1 62 ARG H 2.400 . 2.400 2.338 2.260 2.388 . 0 0 "[ . 1 .]" 1
664 1 61 ILE HB 1 62 ARG H 4.800 . 4.800 4.111 3.938 4.299 . 0 0 "[ . 1 .]" 1
665 1 61 ILE MD 1 85 ALA H 5.400 2.800 5.400 3.823 2.978 4.363 . 0 0 "[ . 1 .]" 1
666 1 61 ILE MD 1 85 ALA HA 4.800 2.200 4.800 2.303 1.928 2.815 0.272 1 0 "[ . 1 .]" 1
667 1 61 ILE MD 1 85 ALA MB 6.800 . 6.800 2.983 2.422 3.311 . 0 0 "[ . 1 .]" 1
668 1 61 ILE MD 1 90 LEU H 7.000 2.200 7.000 5.059 4.549 5.712 . 0 0 "[ . 1 .]" 1
669 1 61 ILE MD 1 90 LEU QD 6.800 3.000 6.800 2.275 1.799 3.574 1.201 10 13 "[******** +*** -]" 1
670 1 61 ILE MG 1 62 ARG H 5.400 . 5.400 2.403 2.031 3.351 . 0 0 "[ . 1 .]" 1
671 1 61 ILE MG 1 81 PHE HD2 5.600 . 5.600 4.338 3.075 5.734 0.134 2 0 "[ . 1 .]" 1
672 1 61 ILE MG 1 81 PHE HE1 5.800 . 5.800 3.391 1.920 4.988 0.080 7 0 "[ . 1 .]" 1
673 1 61 ILE MG 1 84 LYS H 6.400 3.000 6.400 4.560 3.951 5.334 . 0 0 "[ . 1 .]" 1
674 1 62 ARG H 1 62 ARG HA 2.900 . 2.900 2.981 2.947 2.997 0.097 15 0 "[ . 1 .]" 1
675 1 62 ARG H 1 62 ARG HB2 3.600 . 3.600 3.580 2.573 3.820 0.220 7 0 "[ . 1 .]" 1
676 1 62 ARG H 1 62 ARG HB3 3.600 . 3.600 3.447 3.247 3.756 0.156 14 0 "[ . 1 .]" 1
677 1 62 ARG H 1 63 GLY H 4.600 . 4.600 4.466 4.425 4.500 . 0 0 "[ . 1 .]" 1
678 1 62 ARG HA 1 63 GLY H 2.400 . 2.400 2.415 2.331 2.484 0.084 15 0 "[ . 1 .]" 1
679 1 62 ARG HB2 1 63 GLY H 3.400 . 3.400 2.680 2.390 3.613 0.213 14 0 "[ . 1 .]" 1
680 1 62 ARG HB3 1 63 GLY H 3.400 . 3.400 3.493 2.375 3.747 0.347 13 0 "[ . 1 .]" 1
681 1 63 GLY H 1 63 GLY HA2 2.900 . 2.900 2.965 2.925 2.984 0.084 10 0 "[ . 1 .]" 1
682 1 63 GLY H 1 63 GLY HA3 2.800 . 2.800 2.662 2.606 2.757 . 0 0 "[ . 1 .]" 1
683 1 63 GLY H 1 77 THR MG 6.800 . 6.800 4.304 3.858 5.336 . 0 0 "[ . 1 .]" 1
684 1 63 GLY H 1 81 PHE QD 5.000 . 5.000 2.867 2.314 3.770 . 0 0 "[ . 1 .]" 1
685 1 63 GLY HA2 1 64 GLU H 2.400 . 2.400 2.252 2.188 2.358 . 0 0 "[ . 1 .]" 1
686 1 63 GLY HA3 1 64 GLU H 3.000 2.200 3.000 3.081 2.879 3.220 0.220 14 0 "[ . 1 .]" 1
687 1 64 GLU H 1 64 GLU HA 2.900 . 2.900 2.970 2.929 2.998 0.098 10 0 "[ . 1 .]" 1
688 1 64 GLU H 1 64 GLU HB2 3.600 . 3.600 3.411 2.444 3.852 0.252 11 0 "[ . 1 .]" 1
689 1 64 GLU H 1 64 GLU HB3 3.600 . 3.600 3.244 2.544 3.845 0.245 5 0 "[ . 1 .]" 1
690 1 64 GLU H 1 64 GLU QG 5.800 . 5.800 2.952 2.076 4.248 . 0 0 "[ . 1 .]" 1
691 1 64 GLU H 1 65 ALA H 4.600 . 4.600 4.433 4.341 4.508 . 0 0 "[ . 1 .]" 1
692 1 64 GLU H 1 77 THR MG 6.400 . 6.400 4.113 3.651 4.705 . 0 0 "[ . 1 .]" 1
693 1 64 GLU H 1 80 ASP H 5.800 3.000 5.800 5.394 4.866 5.623 . 0 0 "[ . 1 .]" 1
694 1 64 GLU H 1 80 ASP HB2 3.400 2.400 3.400 3.357 2.831 3.553 0.153 6 0 "[ . 1 .]" 1
695 1 64 GLU H 1 80 ASP HB3 3.400 2.400 3.400 2.844 2.366 3.451 0.051 9 0 "[ . 1 .]" 1
696 1 64 GLU H 1 81 PHE H 5.200 2.400 5.200 4.893 4.515 5.228 0.028 4 0 "[ . 1 .]" 1
697 1 64 GLU H 1 81 PHE HB2 5.200 . 5.200 5.056 4.768 5.286 0.086 13 0 "[ . 1 .]" 1
698 1 64 GLU HA 1 65 ALA H 2.400 . 2.400 2.366 2.296 2.471 0.071 13 0 "[ . 1 .]" 1
699 1 64 GLU HA 1 77 THR MG 4.000 3.000 4.000 2.287 1.945 2.989 1.055 15 10 "[* * .* *-****+]" 1
700 1 64 GLU HB2 1 65 ALA H 3.400 . 3.400 3.323 2.528 4.029 0.629 6 1 "[ .+ 1 .]" 1
701 1 64 GLU HB3 1 65 ALA H 4.000 . 4.000 3.621 2.481 4.030 0.030 2 0 "[ . 1 .]" 1
702 1 65 ALA H 1 65 ALA HA 2.900 . 2.900 2.939 2.907 2.986 0.086 7 0 "[ . 1 .]" 1
703 1 65 ALA H 1 65 ALA MB 4.400 . 4.400 2.678 2.553 2.780 . 0 0 "[ . 1 .]" 1
704 1 65 ALA H 1 66 SER H 4.600 . 4.600 4.374 4.214 4.469 . 0 0 "[ . 1 .]" 1
705 1 65 ALA HA 1 66 SER H 2.400 . 2.400 2.353 2.234 2.511 0.111 13 0 "[ . 1 .]" 1
706 1 65 ALA MB 1 66 SER H 4.800 . 4.800 2.731 2.352 3.111 . 0 0 "[ . 1 .]" 1
707 1 65 ALA MB 1 77 THR HA 4.800 2.800 4.800 2.408 1.971 3.104 0.829 10 6 "[- ** + * *.]" 1
708 1 66 SER H 1 66 SER HA 2.900 . 2.900 2.980 2.952 2.994 0.094 11 0 "[ . 1 .]" 1
709 1 66 SER H 1 66 SER HB2 4.400 . 4.400 3.103 2.788 3.745 . 0 0 "[ . 1 .]" 1
710 1 66 SER H 1 66 SER HB3 4.400 . 4.400 3.847 3.639 3.986 . 0 0 "[ . 1 .]" 1
711 1 66 SER H 1 67 THR H 4.600 . 4.600 4.383 4.193 4.463 . 0 0 "[ . 1 .]" 1
712 1 66 SER HA 1 67 THR H 2.400 . 2.400 2.266 2.210 2.333 . 0 0 "[ . 1 .]" 1
713 1 66 SER HB2 1 67 THR H 3.600 . 3.600 3.639 2.976 3.872 0.272 7 0 "[ . 1 .]" 1
714 1 66 SER HB3 1 67 THR H 3.600 . 3.600 3.278 2.910 3.728 0.128 14 0 "[ . 1 .]" 1
715 1 67 THR H 1 67 THR HA 2.900 . 2.900 2.893 2.863 2.911 0.011 5 0 "[ . 1 .]" 1
716 1 67 THR H 1 67 THR HB 3.400 . 3.400 3.438 3.319 3.539 0.139 9 0 "[ . 1 .]" 1
717 1 67 THR H 1 67 THR MG 4.800 . 4.800 2.500 2.353 2.602 . 0 0 "[ . 1 .]" 1
718 1 67 THR H 1 68 ARG H 4.400 . 4.400 4.381 4.311 4.411 0.011 15 0 "[ . 1 .]" 1
719 1 67 THR HA 1 68 ARG H 2.600 . 2.600 2.508 2.345 2.802 0.202 9 0 "[ . 1 .]" 1
720 1 67 THR HA 1 69 SER H 4.600 4.000 4.600 4.396 4.109 4.668 0.068 8 0 "[ . 1 .]" 1
721 1 67 THR HB 1 68 ARG H 4.400 . 4.400 3.886 3.547 4.114 . 0 0 "[ . 1 .]" 1
722 1 67 THR MG 1 68 ARG H 5.800 . 5.800 3.299 2.845 3.649 . 0 0 "[ . 1 .]" 1
723 1 67 THR MG 1 69 SER H 5.000 3.400 5.000 2.361 2.251 2.454 1.149 1 15 [+**-***********] 1
724 1 67 THR MG 1 73 VAL HA 4.600 2.400 4.600 2.348 1.990 2.854 0.410 11 0 "[ . 1 .]" 1
725 1 67 THR MG 1 73 VAL HB 5.000 2.800 5.000 2.179 2.024 2.351 0.776 10 13 "[*** **** +***-*]" 1
726 1 68 ARG H 1 68 ARG HA 2.900 . 2.900 2.888 2.833 2.983 0.083 9 0 "[ . 1 .]" 1
727 1 68 ARG H 1 68 ARG HB2 4.400 . 4.400 2.470 1.950 3.580 0.050 3 0 "[ . 1 .]" 1
728 1 68 ARG H 1 68 ARG HB3 4.400 . 4.400 3.075 2.342 3.514 . 0 0 "[ . 1 .]" 1
729 1 68 ARG H 1 69 SER H 3.000 2.200 3.000 2.619 2.189 2.828 0.011 9 0 "[ . 1 .]" 1
730 1 68 ARG HA 1 69 SER H 3.500 . 3.500 3.542 3.513 3.572 0.072 12 0 "[ . 1 .]" 1
731 1 68 ARG HB2 1 69 SER H 3.600 . 3.600 3.319 2.725 3.863 0.263 4 0 "[ . 1 .]" 1
732 1 68 ARG HB3 1 69 SER H 3.600 . 3.600 3.449 2.894 3.899 0.299 13 0 "[ . 1 .]" 1
733 1 69 SER H 1 69 SER HA 2.800 . 2.800 2.867 2.839 2.885 0.085 14 0 "[ . 1 .]" 1
734 1 69 SER H 1 69 SER HB2 4.400 . 4.400 3.095 2.471 3.413 . 0 0 "[ . 1 .]" 1
735 1 69 SER H 1 69 SER HB3 4.400 . 4.400 3.221 2.430 3.527 . 0 0 "[ . 1 .]" 1
736 1 69 SER H 1 70 GLN H 4.600 . 4.600 4.656 4.624 4.685 0.085 4 0 "[ . 1 .]" 1
737 1 69 SER HA 1 70 GLN H 2.400 . 2.400 2.260 2.209 2.373 . 0 0 "[ . 1 .]" 1
738 1 69 SER HA 1 71 SER H 4.800 3.800 4.800 4.511 4.034 4.823 0.023 7 0 "[ . 1 .]" 1
739 1 69 SER HA 1 72 GLY H 4.400 3.600 4.400 4.337 4.158 4.661 0.261 13 0 "[ . 1 .]" 1
740 1 69 SER HB2 1 70 GLN H 3.600 . 3.600 3.521 3.048 3.891 0.291 13 0 "[ . 1 .]" 1
741 1 69 SER HB3 1 70 GLN H 3.600 . 3.600 3.503 2.909 3.753 0.153 11 0 "[ . 1 .]" 1
742 1 70 GLN H 1 70 GLN HA 2.800 . 2.800 2.925 2.891 2.977 0.177 4 0 "[ . 1 .]" 1
743 1 70 GLN H 1 70 GLN HB2 4.400 . 4.400 2.390 2.094 3.572 . 0 0 "[ . 1 .]" 1
744 1 70 GLN H 1 70 GLN HB3 4.400 . 4.400 3.229 2.327 3.610 . 0 0 "[ . 1 .]" 1
745 1 70 GLN H 1 70 GLN QG 5.400 . 5.400 2.934 1.916 3.972 0.084 8 0 "[ . 1 .]" 1
746 1 70 GLN H 1 71 SER H 3.000 2.600 3.000 2.652 2.464 2.853 0.136 13 0 "[ . 1 .]" 1
747 1 70 GLN HA 1 71 SER H 3.600 . 3.600 3.593 3.557 3.601 0.001 10 0 "[ . 1 .]" 1
748 1 70 GLN HA 1 73 VAL MG2 5.800 4.000 5.800 4.986 4.634 5.288 . 0 0 "[ . 1 .]" 1
749 1 70 GLN HA 1 74 ALA H 5.400 3.900 5.400 5.287 4.895 5.447 0.047 2 0 "[ . 1 .]" 1
750 1 70 GLN HB2 1 71 SER H 4.000 . 4.000 2.698 2.128 3.839 . 0 0 "[ . 1 .]" 1
751 1 70 GLN HB3 1 71 SER H 4.000 . 4.000 2.999 2.149 3.943 . 0 0 "[ . 1 .]" 1
752 1 71 SER H 1 71 SER HA 2.800 . 2.800 2.919 2.875 2.946 0.146 5 0 "[ . 1 .]" 1
753 1 71 SER H 1 71 SER HB2 4.400 . 4.400 2.403 2.073 3.540 . 0 0 "[ . 1 .]" 1
754 1 71 SER H 1 71 SER HB3 4.400 . 4.400 3.197 2.541 3.570 . 0 0 "[ . 1 .]" 1
755 1 71 SER H 1 72 GLY H 3.000 . 3.000 2.458 2.334 2.629 . 0 0 "[ . 1 .]" 1
756 1 71 SER H 1 73 VAL H 4.800 2.200 4.800 4.287 4.103 4.530 . 0 0 "[ . 1 .]" 1
757 1 71 SER HA 1 72 GLY H 3.500 . 3.500 3.530 3.502 3.547 0.047 8 0 "[ . 1 .]" 1
758 1 71 SER HA 1 73 VAL H 4.600 2.200 4.600 4.261 4.142 4.430 . 0 0 "[ . 1 .]" 1
759 1 71 SER HA 1 74 ALA H 3.600 2.100 3.600 3.383 3.239 3.495 . 0 0 "[ . 1 .]" 1
760 1 71 SER HB2 1 72 GLY H 4.000 . 4.000 3.192 2.644 3.906 . 0 0 "[ . 1 .]" 1
761 1 71 SER HB3 1 72 GLY H 4.000 . 4.000 3.490 2.794 4.083 0.083 9 0 "[ . 1 .]" 1
762 1 72 GLY H 1 72 GLY HA2 3.000 2.200 3.000 2.843 2.835 2.851 . 0 0 "[ . 1 .]" 1
763 1 72 GLY H 1 72 GLY HA3 2.400 . 2.400 2.343 2.340 2.346 . 0 0 "[ . 1 .]" 1
764 1 72 GLY H 1 73 VAL H 3.000 . 3.000 2.767 2.743 2.809 . 0 0 "[ . 1 .]" 1
765 1 72 GLY H 1 74 ALA H 4.400 2.200 4.400 4.239 4.133 4.320 . 0 0 "[ . 1 .]" 1
766 1 72 GLY HA2 1 73 VAL H 3.600 2.100 3.600 3.574 3.562 3.588 . 0 0 "[ . 1 .]" 1
767 1 72 GLY HA2 1 74 ALA H 4.400 2.400 4.400 4.293 4.187 4.370 . 0 0 "[ . 1 .]" 1
768 1 72 GLY HA2 1 75 GLY H 3.500 . 3.500 3.455 3.330 3.572 0.072 8 0 "[ . 1 .]" 1
769 1 72 GLY HA2 1 76 LYS H 4.800 2.600 4.800 4.201 3.793 4.486 . 0 0 "[ . 1 .]" 1
770 1 72 GLY HA3 1 73 VAL H 3.000 . 3.000 2.874 2.800 2.918 . 0 0 "[ . 1 .]" 1
771 1 73 VAL H 1 73 VAL HA 2.800 . 2.800 2.861 2.842 2.892 0.092 8 0 "[ . 1 .]" 1
772 1 73 VAL H 1 73 VAL HB 2.600 . 2.600 2.157 2.125 2.241 . 0 0 "[ . 1 .]" 1
773 1 73 VAL H 1 73 VAL MG1 4.400 . 4.400 2.573 2.361 2.644 . 0 0 "[ . 1 .]" 1
774 1 73 VAL H 1 73 VAL MG2 5.800 . 5.800 3.622 3.599 3.677 . 0 0 "[ . 1 .]" 1
775 1 73 VAL H 1 74 ALA H 2.800 . 2.800 2.712 2.605 2.780 . 0 0 "[ . 1 .]" 1
776 1 73 VAL H 1 75 GLY H 4.600 2.400 4.600 4.311 4.191 4.456 . 0 0 "[ . 1 .]" 1
777 1 73 VAL HA 1 74 ALA H 3.500 . 3.500 3.555 3.548 3.563 0.063 12 0 "[ . 1 .]" 1
778 1 73 VAL HA 1 75 GLY H 4.600 2.200 4.600 4.525 4.428 4.663 0.063 9 0 "[ . 1 .]" 1
779 1 73 VAL HA 1 76 LYS H 3.400 . 3.400 3.446 3.351 3.539 0.139 11 0 "[ . 1 .]" 1
780 1 73 VAL HA 1 77 THR H 4.200 . 4.200 4.081 3.870 4.230 0.030 12 0 "[ . 1 .]" 1
781 1 73 VAL HB 1 74 ALA H 3.600 3.000 3.600 3.667 3.624 3.744 0.144 15 0 "[ . 1 .]" 1
782 1 73 VAL MG1 1 74 ALA H 6.400 . 6.400 1.948 1.859 2.041 0.141 5 0 "[ . 1 .]" 1
783 1 73 VAL MG2 1 74 ALA H 6.400 . 6.400 3.974 3.843 4.038 . 0 0 "[ . 1 .]" 1
784 1 74 ALA H 1 74 ALA HA 2.800 . 2.800 2.879 2.860 2.898 0.098 11 0 "[ . 1 .]" 1
785 1 74 ALA H 1 74 ALA MB 4.400 . 4.400 2.130 2.069 2.164 . 0 0 "[ . 1 .]" 1
786 1 74 ALA H 1 75 GLY H 2.800 . 2.800 2.668 2.593 2.747 . 0 0 "[ . 1 .]" 1
787 1 74 ALA H 1 76 LYS H 4.200 . 4.200 4.002 3.847 4.129 . 0 0 "[ . 1 .]" 1
788 1 74 ALA HA 1 75 GLY H 3.500 . 3.500 3.571 3.557 3.581 0.081 1 0 "[ . 1 .]" 1
789 1 74 ALA HA 1 76 LYS H 4.400 . 4.400 4.348 4.242 4.451 0.051 9 0 "[ . 1 .]" 1
790 1 74 ALA HA 1 77 THR H 3.400 . 3.400 3.464 3.351 3.518 0.118 15 0 "[ . 1 .]" 1
791 1 74 ALA HA 1 77 THR MG 6.000 . 6.000 3.994 3.418 4.189 . 0 0 "[ . 1 .]" 1
792 1 74 ALA HA 1 78 ALA H 4.200 . 4.200 4.282 4.158 4.368 0.168 6 0 "[ . 1 .]" 1
793 1 74 ALA MB 1 75 GLY H 5.000 . 5.000 2.452 2.319 2.553 . 0 0 "[ . 1 .]" 1
794 1 75 GLY H 1 75 GLY HA2 2.700 . 2.700 2.868 2.844 2.886 0.186 13 0 "[ . 1 .]" 1
795 1 75 GLY H 1 75 GLY HA3 2.900 2.100 2.900 2.348 2.343 2.356 . 0 0 "[ . 1 .]" 1
796 1 75 GLY H 1 76 LYS H 2.800 . 2.800 2.614 2.534 2.729 . 0 0 "[ . 1 .]" 1
797 1 75 GLY H 1 77 THR H 4.200 . 4.200 4.192 4.113 4.219 0.019 6 0 "[ . 1 .]" 1
798 1 75 GLY HA2 1 76 LYS H 3.600 . 3.600 3.543 3.520 3.557 . 0 0 "[ . 1 .]" 1
799 1 75 GLY HA2 1 77 THR H 4.400 . 4.400 4.489 4.400 4.590 0.190 8 0 "[ . 1 .]" 1
800 1 75 GLY HA2 1 78 ALA H 3.600 . 3.600 3.598 3.487 3.773 0.173 13 0 "[ . 1 .]" 1
801 1 75 GLY HA2 1 78 ALA MB 5.000 3.000 5.000 2.824 2.673 3.092 0.327 15 0 "[ . 1 .]" 1
802 1 75 GLY HA2 1 79 LYS H 4.800 2.600 4.800 4.080 3.877 4.364 . 0 0 "[ . 1 .]" 1
803 1 75 GLY HA3 1 76 LYS H 3.600 . 3.600 2.903 2.849 2.964 . 0 0 "[ . 1 .]" 1
804 1 76 LYS H 1 76 LYS HA 2.700 . 2.700 2.881 2.855 2.905 0.205 7 0 "[ . 1 .]" 1
805 1 76 LYS H 1 76 LYS HB2 4.000 . 4.000 2.126 2.002 2.255 . 0 0 "[ . 1 .]" 1
806 1 76 LYS H 1 76 LYS HB3 4.000 . 4.000 3.169 2.636 3.509 . 0 0 "[ . 1 .]" 1
807 1 76 LYS H 1 77 THR H 2.800 . 2.800 2.648 2.567 2.742 . 0 0 "[ . 1 .]" 1
808 1 76 LYS H 1 78 ALA H 4.200 . 4.200 4.171 4.052 4.258 0.058 13 0 "[ . 1 .]" 1
809 1 76 LYS HA 1 77 THR H 3.600 . 3.600 3.583 3.567 3.599 . 0 0 "[ . 1 .]" 1
810 1 76 LYS HA 1 78 ALA H 4.400 . 4.400 4.424 4.268 4.525 0.125 6 0 "[ . 1 .]" 1
811 1 76 LYS HA 1 79 LYS H 3.400 . 3.400 3.322 3.153 3.458 0.058 1 0 "[ . 1 .]" 1
812 1 76 LYS HA 1 79 LYS QB 5.400 . 5.400 2.459 2.277 2.667 . 0 0 "[ . 1 .]" 1
813 1 76 LYS HA 1 80 ASP H 4.200 . 4.200 3.796 3.540 4.256 0.056 14 0 "[ . 1 .]" 1
814 1 76 LYS HB2 1 77 THR H 4.000 . 4.000 3.100 2.624 3.734 . 0 0 "[ . 1 .]" 1
815 1 76 LYS HB3 1 77 THR H 4.000 . 4.000 3.028 2.546 3.500 . 0 0 "[ . 1 .]" 1
816 1 77 THR H 1 77 THR HA 2.700 . 2.700 2.859 2.832 2.878 0.178 3 0 "[ . 1 .]" 1
817 1 77 THR H 1 77 THR HB 3.200 . 3.200 2.417 2.220 3.432 0.232 13 0 "[ . 1 .]" 1
818 1 77 THR H 1 77 THR MG 5.400 . 5.400 3.642 2.844 3.724 . 0 0 "[ . 1 .]" 1
819 1 77 THR H 1 78 ALA H 2.800 . 2.800 2.703 2.628 2.787 . 0 0 "[ . 1 .]" 1
820 1 77 THR H 1 79 LYS H 4.200 . 4.200 4.039 3.982 4.088 . 0 0 "[ . 1 .]" 1
821 1 77 THR HA 1 78 ALA H 3.600 . 3.600 3.562 3.547 3.575 . 0 0 "[ . 1 .]" 1
822 1 77 THR HA 1 79 LYS H 4.400 . 4.400 4.491 4.366 4.571 0.171 9 0 "[ . 1 .]" 1
823 1 77 THR HA 1 80 ASP H 3.600 2.200 3.600 3.664 3.519 3.770 0.170 2 0 "[ . 1 .]" 1
824 1 77 THR HA 1 81 PHE H 4.200 . 4.200 4.325 4.118 4.468 0.268 11 0 "[ . 1 .]" 1
825 1 77 THR HB 1 78 ALA H 3.600 . 3.600 2.596 2.467 3.026 . 0 0 "[ . 1 .]" 1
826 1 77 THR MG 1 78 ALA H 4.400 . 4.400 3.371 3.013 4.056 . 0 0 "[ . 1 .]" 1
827 1 78 ALA H 1 78 ALA HA 2.700 . 2.700 2.901 2.878 2.924 0.224 8 0 "[ . 1 .]" 1
828 1 78 ALA H 1 78 ALA MB 4.800 . 4.800 2.132 2.026 2.172 . 0 0 "[ . 1 .]" 1
829 1 78 ALA H 1 79 LYS H 2.800 . 2.800 2.540 2.428 2.634 . 0 0 "[ . 1 .]" 1
830 1 78 ALA H 1 80 ASP H 4.200 . 4.200 4.094 3.963 4.229 0.029 14 0 "[ . 1 .]" 1
831 1 78 ALA HA 1 79 LYS H 3.600 . 3.600 3.555 3.526 3.570 . 0 0 "[ . 1 .]" 1
832 1 78 ALA HA 1 80 ASP H 4.400 . 4.400 4.455 4.412 4.526 0.126 7 0 "[ . 1 .]" 1
833 1 78 ALA HA 1 81 PHE H 3.400 . 3.400 3.523 3.417 3.655 0.255 8 0 "[ . 1 .]" 1
834 1 78 ALA HA 1 82 VAL H 4.200 . 4.200 4.171 3.943 4.266 0.066 10 0 "[ . 1 .]" 1
835 1 78 ALA MB 1 79 LYS H 4.600 . 4.600 2.562 2.468 2.810 . 0 0 "[ . 1 .]" 1
836 1 79 LYS H 1 79 LYS HA 2.800 . 2.800 2.885 2.847 2.913 0.113 7 0 "[ . 1 .]" 1
837 1 79 LYS H 1 79 LYS HB2 2.800 . 2.800 2.200 2.011 2.306 . 0 0 "[ . 1 .]" 1
838 1 79 LYS H 1 79 LYS HB3 2.800 . 2.800 2.738 2.617 3.071 0.271 7 0 "[ . 1 .]" 1
839 1 79 LYS H 1 80 ASP H 2.800 . 2.800 2.616 2.416 2.762 . 0 0 "[ . 1 .]" 1
840 1 79 LYS H 1 81 PHE H 4.200 . 4.200 4.092 3.834 4.208 0.008 10 0 "[ . 1 .]" 1
841 1 79 LYS HA 1 80 ASP H 3.600 . 3.600 3.565 3.531 3.574 . 0 0 "[ . 1 .]" 1
842 1 79 LYS HA 1 81 PHE H 4.400 . 4.400 4.381 4.240 4.499 0.099 14 0 "[ . 1 .]" 1
843 1 79 LYS HA 1 82 VAL H 3.400 . 3.400 3.464 3.394 3.570 0.170 7 0 "[ . 1 .]" 1
844 1 79 LYS HA 1 83 ARG H 4.200 . 4.200 4.075 3.860 4.292 0.092 9 0 "[ . 1 .]" 1
845 1 79 LYS HB2 1 80 ASP H 3.600 . 3.600 3.614 3.206 3.720 0.120 15 0 "[ . 1 .]" 1
846 1 79 LYS HB3 1 80 ASP H 3.600 . 3.600 2.606 2.492 2.841 . 0 0 "[ . 1 .]" 1
847 1 80 ASP H 1 80 ASP HA 2.800 . 2.800 2.880 2.854 2.894 0.094 7 0 "[ . 1 .]" 1
848 1 80 ASP H 1 80 ASP HB2 4.000 . 4.000 2.136 2.013 2.302 . 0 0 "[ . 1 .]" 1
849 1 80 ASP H 1 80 ASP HB3 4.000 . 4.000 3.403 2.605 3.518 . 0 0 "[ . 1 .]" 1
850 1 80 ASP H 1 81 PHE H 2.800 . 2.800 2.640 2.543 2.732 . 0 0 "[ . 1 .]" 1
851 1 80 ASP H 1 82 VAL H 4.200 . 4.200 4.137 4.029 4.223 0.023 7 0 "[ . 1 .]" 1
852 1 80 ASP HA 1 81 PHE H 3.600 . 3.600 3.560 3.536 3.579 . 0 0 "[ . 1 .]" 1
853 1 80 ASP HA 1 82 VAL H 4.400 . 4.400 4.489 4.403 4.552 0.152 5 0 "[ . 1 .]" 1
854 1 80 ASP HA 1 83 ARG H 3.400 . 3.400 3.512 3.404 3.652 0.252 6 0 "[ . 1 .]" 1
855 1 80 ASP HA 1 84 LYS H 4.200 . 4.200 4.206 3.883 4.338 0.138 9 0 "[ . 1 .]" 1
856 1 80 ASP HB2 1 81 PHE H 3.600 . 3.600 2.886 2.708 3.702 0.102 14 0 "[ . 1 .]" 1
857 1 80 ASP HB3 1 81 PHE H 3.600 . 3.600 3.345 2.493 3.663 0.063 7 0 "[ . 1 .]" 1
858 1 81 PHE H 1 81 PHE HA 2.800 . 2.800 2.898 2.880 2.937 0.137 4 0 "[ . 1 .]" 1
859 1 81 PHE H 1 81 PHE HB2 3.000 . 3.000 2.561 2.278 2.781 . 0 0 "[ . 1 .]" 1
860 1 81 PHE H 1 81 PHE HB3 3.000 . 3.000 2.362 2.218 2.660 . 0 0 "[ . 1 .]" 1
861 1 81 PHE H 1 82 VAL H 2.800 . 2.800 2.590 2.399 2.677 . 0 0 "[ . 1 .]" 1
862 1 81 PHE H 1 83 ARG H 4.200 . 4.200 4.047 3.879 4.120 . 0 0 "[ . 1 .]" 1
863 1 81 PHE HA 1 82 VAL H 3.600 . 3.600 3.569 3.551 3.587 . 0 0 "[ . 1 .]" 1
864 1 81 PHE HA 1 83 ARG H 4.400 . 4.400 4.406 4.309 4.480 0.080 6 0 "[ . 1 .]" 1
865 1 81 PHE HA 1 84 LYS H 3.400 . 3.400 3.536 3.484 3.608 0.208 11 0 "[ . 1 .]" 1
866 1 81 PHE HA 1 85 ALA H 4.200 . 4.200 4.185 3.972 4.326 0.126 1 0 "[ . 1 .]" 1
867 1 81 PHE HB2 1 82 VAL H 4.000 . 4.000 3.899 3.717 4.004 0.004 4 0 "[ . 1 .]" 1
868 1 81 PHE HB3 1 82 VAL H 3.600 . 3.600 2.592 2.509 2.701 . 0 0 "[ . 1 .]" 1
869 1 82 VAL H 1 82 VAL HA 2.800 . 2.800 2.883 2.872 2.901 0.101 11 0 "[ . 1 .]" 1
870 1 82 VAL H 1 82 VAL HB 2.800 . 2.800 2.302 2.115 2.403 . 0 0 "[ . 1 .]" 1
871 1 82 VAL H 1 82 VAL QG . . 4.800 2.249 2.114 2.616 . 0 0 "[ . 1 .]" 1
872 1 82 VAL H 1 83 ARG H 2.800 . 2.800 2.628 2.535 2.675 . 0 0 "[ . 1 .]" 1
873 1 82 VAL H 1 84 LYS H 4.200 . 4.200 4.176 4.081 4.258 0.058 8 0 "[ . 1 .]" 1
874 1 82 VAL HA 1 83 ARG H 3.600 . 3.600 3.566 3.533 3.584 . 0 0 "[ . 1 .]" 1
875 1 82 VAL HA 1 84 LYS H 4.400 . 4.400 4.440 4.371 4.511 0.111 8 0 "[ . 1 .]" 1
876 1 82 VAL HA 1 85 ALA H 3.400 . 3.400 3.426 3.322 3.530 0.130 7 0 "[ . 1 .]" 1
877 1 82 VAL HA 1 86 PHE H 4.200 . 4.200 4.007 3.716 4.173 . 0 0 "[ . 1 .]" 1
878 1 82 VAL HB 1 83 ARG H 3.600 . 3.600 2.750 2.606 3.618 0.018 15 0 "[ . 1 .]" 1
879 1 82 VAL QG 1 83 ARG H 5.400 . 5.400 3.136 2.048 3.333 . 0 0 "[ . 1 .]" 1
880 1 83 ARG H 1 83 ARG HB2 3.600 . 3.600 2.338 1.955 3.568 0.045 2 0 "[ . 1 .]" 1
881 1 83 ARG H 1 83 ARG HB3 3.000 . 3.000 2.777 2.385 3.224 0.224 2 0 "[ . 1 .]" 1
882 1 83 ARG H 1 84 LYS H 2.800 . 2.800 2.647 2.538 2.744 . 0 0 "[ . 1 .]" 1
883 1 83 ARG H 1 85 ALA H 4.200 . 4.200 4.077 3.914 4.191 . 0 0 "[ . 1 .]" 1
884 1 83 ARG HA 1 84 LYS H 3.600 . 3.600 3.572 3.545 3.584 . 0 0 "[ . 1 .]" 1
885 1 83 ARG HA 1 85 ALA H 4.400 . 4.400 4.450 4.336 4.499 0.099 1 0 "[ . 1 .]" 1
886 1 83 ARG HA 1 86 PHE H 3.400 . 3.400 3.424 3.291 3.523 0.123 8 0 "[ . 1 .]" 1
887 1 83 ARG HA 1 86 PHE HB2 3.600 . 3.600 2.511 2.237 2.882 . 0 0 "[ . 1 .]" 1
888 1 83 ARG HA 1 86 PHE HB3 3.600 . 3.600 3.448 2.974 3.681 0.081 11 0 "[ . 1 .]" 1
889 1 83 ARG HA 1 87 GLN H 4.200 . 4.200 4.196 4.005 4.304 0.104 11 0 "[ . 1 .]" 1
890 1 83 ARG HB2 1 84 LYS H 3.600 . 3.600 3.558 3.121 3.831 0.231 6 0 "[ . 1 .]" 1
891 1 83 ARG HB3 1 84 LYS H 3.600 . 3.600 2.790 2.478 3.868 0.268 6 0 "[ . 1 .]" 1
892 1 84 LYS H 1 84 LYS HA 2.800 . 2.800 2.889 2.870 2.910 0.110 11 0 "[ . 1 .]" 1
893 1 84 LYS H 1 84 LYS HB2 3.600 . 3.600 2.070 1.972 2.178 0.028 6 0 "[ . 1 .]" 1
894 1 84 LYS H 1 84 LYS HB3 3.600 . 3.600 3.112 2.751 3.495 . 0 0 "[ . 1 .]" 1
895 1 84 LYS H 1 85 ALA H 2.800 . 2.800 2.610 2.505 2.699 . 0 0 "[ . 1 .]" 1
896 1 84 LYS H 1 86 PHE H 4.200 . 4.200 3.988 3.877 4.085 . 0 0 "[ . 1 .]" 1
897 1 84 LYS HA 1 85 ALA H 3.600 . 3.600 3.562 3.548 3.575 . 0 0 "[ . 1 .]" 1
898 1 84 LYS HA 1 86 PHE H 4.400 . 4.400 4.345 4.186 4.415 0.015 8 0 "[ . 1 .]" 1
899 1 84 LYS HA 1 87 GLN H 3.400 . 3.400 3.533 3.468 3.614 0.214 1 0 "[ . 1 .]" 1
900 1 84 LYS HA 1 87 GLN HB2 4.600 . 4.600 3.022 2.629 4.755 0.155 9 0 "[ . 1 .]" 1
901 1 84 LYS HA 1 87 GLN HB3 4.400 . 4.400 3.986 3.027 4.447 0.047 4 0 "[ . 1 .]" 1
902 1 84 LYS HB2 1 85 ALA H 3.600 . 3.600 3.215 2.670 3.604 0.004 8 0 "[ . 1 .]" 1
903 1 84 LYS HB3 1 85 ALA H 3.600 . 3.600 2.906 2.531 3.547 . 0 0 "[ . 1 .]" 1
904 1 85 ALA H 1 85 ALA HA 2.800 . 2.800 2.895 2.883 2.920 0.120 9 0 "[ . 1 .]" 1
905 1 85 ALA H 1 85 ALA MB 4.400 . 4.400 2.110 2.009 2.169 . 0 0 "[ . 1 .]" 1
906 1 85 ALA H 1 86 PHE H 2.800 . 2.800 2.556 2.420 2.605 . 0 0 "[ . 1 .]" 1
907 1 85 ALA H 1 87 GLN H 4.200 . 4.200 4.156 4.052 4.206 0.006 6 0 "[ . 1 .]" 1
908 1 85 ALA H 1 90 LEU QD 6.800 . 6.800 5.212 5.101 5.310 . 0 0 "[ . 1 .]" 1
909 1 85 ALA HA 1 86 PHE H 3.600 . 3.600 3.549 3.512 3.568 . 0 0 "[ . 1 .]" 1
910 1 85 ALA HA 1 87 GLN H 4.400 . 4.400 4.408 4.290 4.489 0.089 9 0 "[ . 1 .]" 1
911 1 85 ALA HA 1 88 LYS H 3.800 2.400 3.800 3.470 3.340 3.620 . 0 0 "[ . 1 .]" 1
912 1 85 ALA HA 1 90 LEU H 4.000 3.200 4.000 4.008 3.876 4.153 0.153 1 0 "[ . 1 .]" 1
913 1 85 ALA HA 1 90 LEU HB2 3.800 3.000 3.800 2.957 2.854 3.031 0.146 14 0 "[ . 1 .]" 1
914 1 85 ALA HA 1 90 LEU HB3 4.400 3.800 4.400 4.397 4.214 4.489 0.089 4 0 "[ . 1 .]" 1
915 1 85 ALA HA 1 90 LEU QD 6.400 4.400 6.400 3.234 3.158 3.378 1.242 3 15 [**+*****-******] 1
916 1 85 ALA HA 1 90 LEU HG 4.400 3.800 4.400 4.458 4.402 4.494 0.094 9 0 "[ . 1 .]" 1
917 1 85 ALA HA 1 91 ILE H 4.600 4.400 4.600 4.371 4.226 4.681 0.174 11 0 "[ . 1 .]" 1
918 1 85 ALA MB 1 86 PHE H 4.600 . 4.600 2.612 2.522 2.779 . 0 0 "[ . 1 .]" 1
919 1 85 ALA MB 1 91 ILE MD 6.800 2.800 6.800 2.092 1.743 3.472 1.057 13 12 "[******* -* *+*.]" 1
920 1 85 ALA O 1 90 LEU H 2.400 . 2.400 2.096 1.957 2.178 0.043 9 0 "[ . 1 .]" 1
921 1 86 PHE H 1 86 PHE HA 2.800 . 2.800 2.880 2.861 2.904 0.104 1 0 "[ . 1 .]" 1
922 1 86 PHE H 1 86 PHE HB2 3.600 . 3.600 1.983 1.956 2.125 0.044 5 0 "[ . 1 .]" 1
923 1 86 PHE H 1 86 PHE HB3 3.600 . 3.600 3.182 2.884 3.318 . 0 0 "[ . 1 .]" 1
924 1 86 PHE H 1 87 GLN H 2.800 . 2.800 2.640 2.560 2.718 . 0 0 "[ . 1 .]" 1
925 1 86 PHE H 1 88 LYS H 4.200 . 4.200 4.128 4.059 4.255 0.055 12 0 "[ . 1 .]" 1
926 1 86 PHE H 1 91 ILE MD 6.800 4.000 6.800 3.917 3.093 5.800 0.907 1 4 "[+ * . 1 *-.]" 1
927 1 86 PHE H 1 91 ILE MG 6.800 4.000 6.800 4.966 4.593 5.649 . 0 0 "[ . 1 .]" 1
928 1 86 PHE HA 1 87 GLN H 3.600 . 3.600 3.572 3.553 3.589 . 0 0 "[ . 1 .]" 1
929 1 86 PHE HA 1 88 LYS H 4.400 . 4.400 4.403 4.074 4.497 0.097 11 0 "[ . 1 .]" 1
930 1 86 PHE HA 1 91 ILE H 3.200 2.600 3.200 3.271 3.203 3.356 0.156 8 0 "[ . 1 .]" 1
931 1 86 PHE HB2 1 87 GLN H 3.600 . 3.600 3.140 2.992 3.525 . 0 0 "[ . 1 .]" 1
932 1 86 PHE HB3 1 87 GLN H 3.600 . 3.600 2.880 2.719 3.208 . 0 0 "[ . 1 .]" 1
933 1 86 PHE QD 1 92 SER HA 6.800 4.400 6.800 4.433 3.733 5.072 0.667 4 2 "[ +.- 1 .]" 1
934 1 86 PHE HZ 1 96 ALA MB 6.400 4.000 6.400 3.888 3.281 5.325 0.719 8 5 "[ -* * +*1 .]" 1
935 1 87 GLN H 1 87 GLN HA 2.800 . 2.800 2.876 2.856 2.887 0.087 8 0 "[ . 1 .]" 1
936 1 87 GLN H 1 87 GLN HB2 3.600 . 3.600 2.215 1.982 3.561 0.018 5 0 "[ . 1 .]" 1
937 1 87 GLN H 1 87 GLN HB3 3.600 . 3.600 3.195 2.503 3.526 . 0 0 "[ . 1 .]" 1
938 1 87 GLN H 1 87 GLN QG 5.400 . 5.400 2.984 1.864 3.914 0.136 9 0 "[ . 1 .]" 1
939 1 87 GLN H 1 88 LYS H 2.800 . 2.800 2.669 2.634 2.737 . 0 0 "[ . 1 .]" 1
940 1 87 GLN H 1 89 GLY H 5.000 4.600 5.000 4.501 4.395 4.823 0.205 13 0 "[ . 1 .]" 1
941 1 87 GLN HA 1 88 LYS H 3.600 . 3.600 3.564 3.533 3.574 . 0 0 "[ . 1 .]" 1
942 1 87 GLN HB2 1 88 LYS H 3.600 . 3.600 3.108 2.558 3.779 0.179 15 0 "[ . 1 .]" 1
943 1 87 GLN HB3 1 88 LYS H 4.000 . 4.000 3.218 2.506 4.004 0.004 9 0 "[ . 1 .]" 1
944 1 88 LYS H 1 88 LYS HA 2.800 . 2.800 2.916 2.894 2.962 0.162 14 0 "[ . 1 .]" 1
945 1 88 LYS H 1 88 LYS HB2 3.600 . 3.600 2.107 1.982 2.663 0.018 2 0 "[ . 1 .]" 1
946 1 88 LYS H 1 88 LYS HB3 3.600 . 3.600 3.266 2.325 3.503 . 0 0 "[ . 1 .]" 1
947 1 88 LYS H 1 88 LYS QG 5.400 . 5.400 3.260 2.562 3.917 . 0 0 "[ . 1 .]" 1
948 1 88 LYS H 1 89 GLY H 2.800 2.200 2.800 2.686 2.516 2.733 . 0 0 "[ . 1 .]" 1
949 1 88 LYS HA 1 89 GLY H 3.600 . 3.600 3.591 3.583 3.600 . 10 0 "[ . 1 .]" 1
950 1 88 LYS HB2 1 89 GLY H 3.600 . 3.600 2.748 2.300 3.675 0.075 12 0 "[ . 1 .]" 1
951 1 88 LYS HB3 1 89 GLY H 4.000 . 4.000 2.737 2.173 3.106 . 0 0 "[ . 1 .]" 1
952 1 89 GLY H 1 89 GLY HA2 2.900 . 2.900 2.593 2.553 2.694 . 0 0 "[ . 1 .]" 1
953 1 89 GLY H 1 89 GLY HA3 2.600 . 2.600 2.968 2.939 2.974 0.374 8 0 "[ . 1 .]" 1
954 1 89 GLY H 1 90 LEU H 2.800 2.200 2.800 2.174 2.110 2.240 0.090 4 0 "[ . 1 .]" 1
955 1 89 GLY H 1 91 ILE H 4.600 3.800 4.600 4.136 4.004 4.310 . 0 0 "[ . 1 .]" 1
956 1 89 GLY HA2 1 90 LEU H 3.600 . 3.600 2.710 2.666 2.750 . 0 0 "[ . 1 .]" 1
957 1 89 GLY HA2 1 91 ILE H 4.800 4.000 4.800 4.518 4.129 4.811 0.011 9 0 "[ . 1 .]" 1
958 1 89 GLY HA3 1 90 LEU H 3.600 . 3.600 3.588 3.579 3.593 . 0 0 "[ . 1 .]" 1
959 1 90 LEU H 1 90 LEU HA 2.800 . 2.800 2.995 2.992 2.998 0.198 6 0 "[ . 1 .]" 1
960 1 90 LEU H 1 90 LEU HB2 3.600 . 3.600 2.327 2.233 2.407 . 0 0 "[ . 1 .]" 1
961 1 90 LEU H 1 90 LEU HB3 3.600 . 3.600 3.520 3.416 3.598 . 0 0 "[ . 1 .]" 1
962 1 90 LEU H 1 90 LEU QD 6.000 . 6.000 3.694 3.643 3.756 . 0 0 "[ . 1 .]" 1
963 1 90 LEU H 1 91 ILE H 2.400 2.200 2.400 2.196 2.114 2.385 0.086 10 0 "[ . 1 .]" 1
964 1 90 LEU HA 1 91 ILE H 3.600 . 3.600 3.593 3.578 3.599 . 0 0 "[ . 1 .]" 1
965 1 90 LEU HB2 1 91 ILE H 3.600 . 3.600 2.640 2.494 2.922 . 0 0 "[ . 1 .]" 1
966 1 90 LEU HB3 1 91 ILE H 3.600 . 3.600 3.003 2.591 3.164 . 0 0 "[ . 1 .]" 1
967 1 90 LEU QD 1 91 ILE H 6.600 . 6.600 3.972 3.744 4.080 . 0 0 "[ . 1 .]" 1
968 1 91 ILE H 1 91 ILE HA 2.800 . 2.800 2.962 2.918 2.985 0.185 12 0 "[ . 1 .]" 1
969 1 91 ILE H 1 91 ILE MD 6.400 . 6.400 3.524 3.302 3.643 . 0 0 "[ . 1 .]" 1
970 1 91 ILE H 1 91 ILE MG 4.800 . 4.800 3.734 3.651 3.778 . 0 0 "[ . 1 .]" 1
971 1 91 ILE H 1 92 SER H 4.600 . 4.600 4.084 3.600 4.403 . 0 0 "[ . 1 .]" 1
972 1 91 ILE HA 1 92 SER H 2.400 . 2.400 2.325 2.194 2.509 0.109 14 0 "[ . 1 .]" 1
973 1 91 ILE MD 1 92 SER H 6.800 . 6.800 5.324 3.867 5.647 . 0 0 "[ . 1 .]" 1
974 1 91 ILE MG 1 92 SER H 5.400 . 5.400 3.491 2.989 3.901 . 0 0 "[ . 1 .]" 1
975 1 91 ILE MG 1 96 ALA H 5.800 2.400 5.800 3.659 3.187 3.991 . 0 0 "[ . 1 .]" 1
976 1 91 ILE MG 1 96 ALA MB 6.400 2.200 6.400 2.309 2.005 2.666 0.195 3 0 "[ . 1 .]" 1
977 1 92 SER H 1 92 SER HA 2.900 . 2.900 2.923 2.854 2.979 0.079 7 0 "[ . 1 .]" 1
978 1 92 SER H 1 92 SER HB2 4.000 . 4.000 2.524 2.134 3.548 . 0 0 "[ . 1 .]" 1
979 1 92 SER H 1 92 SER HB3 4.000 . 4.000 3.172 2.247 3.595 . 0 0 "[ . 1 .]" 1
980 1 92 SER H 1 93 GLN H 4.600 3.800 4.600 4.610 4.502 4.680 0.080 3 0 "[ . 1 .]" 1
981 1 92 SER H 1 95 GLU H 4.600 4.000 4.600 4.128 3.947 4.362 0.053 7 0 "[ . 1 .]" 1
982 1 92 SER H 1 95 GLU HB2 3.400 2.600 3.400 2.590 2.384 3.220 0.216 13 0 "[ . 1 .]" 1
983 1 92 SER H 1 95 GLU HB3 3.400 2.600 3.400 2.870 2.425 3.443 0.175 2 0 "[ . 1 .]" 1
984 1 92 SER H 1 96 ALA H 4.800 4.000 4.800 4.119 3.881 4.407 0.119 11 0 "[ . 1 .]" 1
985 1 92 SER H 1 96 ALA MB 6.800 4.000 6.800 4.570 4.144 5.091 . 0 0 "[ . 1 .]" 1
986 1 92 SER HA 1 93 GLN H 2.600 2.200 2.600 2.535 2.341 2.637 0.037 7 0 "[ . 1 .]" 1
987 1 92 SER HB2 1 93 GLN H 3.600 . 3.600 3.518 2.217 3.794 0.194 6 0 "[ . 1 .]" 1
988 1 92 SER HB3 1 93 GLN H 3.600 . 3.600 2.819 2.233 3.684 0.084 4 0 "[ . 1 .]" 1
989 1 93 GLN H 1 93 GLN HA 2.800 . 2.800 2.877 2.829 2.910 0.110 7 0 "[ . 1 .]" 1
990 1 93 GLN H 1 93 GLN HB2 4.200 . 4.200 2.241 1.982 2.486 0.018 4 0 "[ . 1 .]" 1
991 1 93 GLN H 1 93 GLN HB3 4.200 . 4.200 3.025 2.432 3.547 . 0 0 "[ . 1 .]" 1
992 1 93 GLN H 1 94 GLN H 2.800 . 2.800 2.818 2.667 2.893 0.093 8 0 "[ . 1 .]" 1
993 1 93 GLN H 1 95 GLU H 4.600 2.400 4.600 3.998 3.813 4.204 . 0 0 "[ . 1 .]" 1
994 1 93 GLN H 1 96 ALA H 5.000 4.600 5.000 4.728 4.489 4.921 0.111 8 0 "[ . 1 .]" 1
995 1 93 GLN HA 1 94 GLN H 3.600 . 3.600 3.595 3.587 3.605 0.005 8 0 "[ . 1 .]" 1
996 1 93 GLN HA 1 95 GLU H 4.600 2.200 4.600 4.579 4.314 4.703 0.103 4 0 "[ . 1 .]" 1
997 1 93 GLN HA 1 96 ALA H 3.800 2.300 3.800 3.791 3.539 3.909 0.109 13 0 "[ . 1 .]" 1
998 1 93 GLN HB2 1 94 GLN H 4.200 . 4.200 3.035 2.196 3.674 . 0 0 "[ . 1 .]" 1
999 1 93 GLN HB3 1 94 GLN H 4.200 . 4.200 2.606 2.122 3.498 . 0 0 "[ . 1 .]" 1
1000 1 94 GLN H 1 94 GLN HA 2.800 . 2.800 2.871 2.855 2.891 0.091 3 0 "[ . 1 .]" 1
1001 1 94 GLN H 1 94 GLN HB2 3.600 . 3.600 2.541 1.969 3.560 0.031 4 0 "[ . 1 .]" 1
1002 1 94 GLN H 1 94 GLN HB3 3.600 . 3.600 3.075 2.358 3.547 . 0 0 "[ . 1 .]" 1
1003 1 94 GLN H 1 95 GLU H 2.800 . 2.800 2.696 2.627 2.785 . 0 0 "[ . 1 .]" 1
1004 1 94 GLN H 1 96 ALA H 4.400 2.200 4.400 4.297 4.089 4.472 0.072 9 0 "[ . 1 .]" 1
1005 1 94 GLN HA 1 95 GLU H 3.600 . 3.600 3.563 3.531 3.586 . 0 0 "[ . 1 .]" 1
1006 1 94 GLN HA 1 96 ALA H 4.400 . 4.400 4.438 4.247 4.556 0.156 1 0 "[ . 1 .]" 1
1007 1 94 GLN HA 1 97 ASN H 3.500 . 3.500 3.423 3.246 3.570 0.070 3 0 "[ . 1 .]" 1
1008 1 94 GLN HA 1 97 ASN HB2 5.000 . 5.000 2.979 2.350 3.854 . 0 0 "[ . 1 .]" 1
1009 1 94 GLN HA 1 97 ASN HB3 5.000 . 5.000 3.279 2.582 4.170 . 0 0 "[ . 1 .]" 1
1010 1 94 GLN HA 1 98 GLN H 4.200 . 4.200 4.235 4.029 4.548 0.348 8 0 "[ . 1 .]" 1
1011 1 94 GLN HB2 1 95 GLU H 4.200 . 4.200 3.181 2.520 4.003 . 0 0 "[ . 1 .]" 1
1012 1 94 GLN HB3 1 95 GLU H 4.200 . 4.200 3.384 2.531 4.005 . 0 0 "[ . 1 .]" 1
1013 1 95 GLU H 1 95 GLU HA 2.800 . 2.800 2.857 2.821 2.890 0.090 8 0 "[ . 1 .]" 1
1014 1 95 GLU H 1 95 GLU HB2 3.600 . 3.600 2.064 1.959 2.233 0.041 6 0 "[ . 1 .]" 1
1015 1 95 GLU H 1 95 GLU HB3 3.600 . 3.600 3.233 2.698 3.513 . 0 0 "[ . 1 .]" 1
1016 1 95 GLU H 1 96 ALA H 2.800 . 2.800 2.739 2.556 2.849 0.049 13 0 "[ . 1 .]" 1
1017 1 95 GLU H 1 97 ASN H 4.200 . 4.200 4.160 4.051 4.284 0.084 3 0 "[ . 1 .]" 1
1018 1 95 GLU HA 1 96 ALA H 3.600 . 3.600 3.575 3.547 3.585 . 0 0 "[ . 1 .]" 1
1019 1 95 GLU HA 1 97 ASN H 4.400 . 4.400 4.410 4.252 4.477 0.077 7 0 "[ . 1 .]" 1
1020 1 95 GLU HA 1 98 GLN H 3.400 . 3.400 3.433 3.279 3.521 0.121 1 0 "[ . 1 .]" 1
1021 1 95 GLU HA 1 99 TRP H 4.200 . 4.200 4.189 3.788 4.326 0.126 9 0 "[ . 1 .]" 1
1022 1 95 GLU HB2 1 96 ALA H 4.200 . 4.200 3.026 2.604 3.593 . 0 0 "[ . 1 .]" 1
1023 1 95 GLU HB3 1 96 ALA H 4.200 . 4.200 2.954 2.395 3.413 . 0 0 "[ . 1 .]" 1
1024 1 96 ALA H 1 96 ALA HA 2.800 . 2.800 2.867 2.849 2.883 0.083 4 0 "[ . 1 .]" 1
1025 1 96 ALA H 1 96 ALA MB 4.600 . 4.600 2.097 2.008 2.160 . 0 0 "[ . 1 .]" 1
1026 1 96 ALA H 1 97 ASN H 2.800 . 2.800 2.676 2.595 2.772 . 0 0 "[ . 1 .]" 1
1027 1 96 ALA H 1 98 GLN H 4.200 . 4.200 4.161 4.058 4.291 0.091 14 0 "[ . 1 .]" 1
1028 1 96 ALA HA 1 97 ASN H 3.600 . 3.600 3.564 3.551 3.579 . 0 0 "[ . 1 .]" 1
1029 1 96 ALA HA 1 98 GLN H 4.400 . 4.400 4.445 4.355 4.584 0.184 8 0 "[ . 1 .]" 1
1030 1 96 ALA HA 1 99 TRP H 3.400 . 3.400 3.459 3.191 3.587 0.187 6 0 "[ . 1 .]" 1
1031 1 96 ALA HA 1 99 TRP HB2 4.600 . 4.600 3.357 2.550 3.780 . 0 0 "[ . 1 .]" 1
1032 1 96 ALA HA 1 99 TRP HB3 4.400 . 4.400 2.807 2.087 3.133 . 0 0 "[ . 1 .]" 1
1033 1 96 ALA HA 1 99 TRP HE3 4.000 3.800 4.000 3.975 3.779 4.206 0.206 15 0 "[ . 1 .]" 1
1034 1 96 ALA HA 1 100 LEU H 4.200 . 4.200 4.078 3.683 4.281 0.081 6 0 "[ . 1 .]" 1
1035 1 96 ALA MB 1 97 ASN H 4.800 . 4.800 2.534 2.400 2.644 . 0 0 "[ . 1 .]" 1
1036 1 97 ASN H 1 97 ASN HA 2.800 . 2.800 2.875 2.862 2.892 0.092 6 0 "[ . 1 .]" 1
1037 1 97 ASN H 1 97 ASN HB2 3.600 . 3.600 2.253 2.018 2.670 . 0 0 "[ . 1 .]" 1
1038 1 97 ASN H 1 97 ASN HB3 3.600 . 3.600 2.879 2.261 3.525 . 0 0 "[ . 1 .]" 1
1039 1 97 ASN H 1 98 GLN H 2.800 . 2.800 2.663 2.586 2.708 . 0 0 "[ . 1 .]" 1
1040 1 97 ASN H 1 99 TRP H 4.200 . 4.200 4.118 3.797 4.240 0.040 9 0 "[ . 1 .]" 1
1041 1 97 ASN HA 1 98 GLN H 3.600 . 3.600 3.570 3.557 3.579 . 0 0 "[ . 1 .]" 1
1042 1 97 ASN HA 1 99 TRP H 4.400 . 4.400 4.436 4.337 4.489 0.089 9 0 "[ . 1 .]" 1
1043 1 97 ASN HA 1 100 LEU H 3.400 . 3.400 3.426 3.342 3.609 0.209 14 0 "[ . 1 .]" 1
1044 1 97 ASN HA 1 101 SER H 4.200 . 4.200 4.183 3.767 4.367 0.167 7 0 "[ . 1 .]" 1
1045 1 97 ASN HB2 1 98 GLN H 4.200 . 4.200 3.392 2.606 3.943 . 0 0 "[ . 1 .]" 1
1046 1 97 ASN HB3 1 98 GLN H 4.200 . 4.200 2.808 2.426 3.517 . 0 0 "[ . 1 .]" 1
1047 1 98 GLN H 1 98 GLN HA 2.800 . 2.800 2.877 2.855 2.918 0.118 14 0 "[ . 1 .]" 1
1048 1 98 GLN H 1 98 GLN HB2 4.000 . 4.000 2.084 1.971 2.306 0.029 12 0 "[ . 1 .]" 1
1049 1 98 GLN H 1 98 GLN HB3 4.000 . 4.000 3.243 2.688 3.528 . 0 0 "[ . 1 .]" 1
1050 1 98 GLN H 1 99 TRP H 2.800 . 2.800 2.652 2.446 2.747 . 0 0 "[ . 1 .]" 1
1051 1 98 GLN H 1 100 LEU H 4.200 . 4.200 4.083 3.982 4.151 . 0 0 "[ . 1 .]" 1
1052 1 98 GLN HA 1 99 TRP H 3.600 . 3.600 3.565 3.519 3.579 . 0 0 "[ . 1 .]" 1
1053 1 98 GLN HA 1 100 LEU H 4.400 . 4.400 4.450 4.346 4.522 0.122 7 0 "[ . 1 .]" 1
1054 1 98 GLN HA 1 101 SER H 3.400 . 3.400 3.503 3.299 3.595 0.195 2 0 "[ . 1 .]" 1
1055 1 98 GLN HB2 1 99 TRP H 3.600 . 3.600 3.032 2.526 3.646 0.046 3 0 "[ . 1 .]" 1
1056 1 98 GLN HB3 1 99 TRP H 3.600 . 3.600 3.036 2.478 3.499 . 0 0 "[ . 1 .]" 1
1057 1 99 TRP H 1 99 TRP HA 2.800 . 2.800 2.884 2.862 2.908 0.108 13 0 "[ . 1 .]" 1
1058 1 99 TRP H 1 99 TRP HB2 3.000 . 3.000 2.359 2.212 2.489 . 0 0 "[ . 1 .]" 1
1059 1 99 TRP H 1 99 TRP HB3 3.000 . 3.000 2.537 2.448 2.617 . 0 0 "[ . 1 .]" 1
1060 1 99 TRP H 1 100 LEU H 2.800 . 2.800 2.607 2.503 2.687 . 0 0 "[ . 1 .]" 1
1061 1 99 TRP H 1 101 SER H 4.200 . 4.200 4.096 3.918 4.266 0.066 11 0 "[ . 1 .]" 1
1062 1 99 TRP HA 1 100 LEU H 3.600 . 3.600 3.557 3.538 3.577 . 0 0 "[ . 1 .]" 1
1063 1 99 TRP HA 1 101 SER H 4.400 . 4.400 4.358 4.202 4.564 0.164 14 0 "[ . 1 .]" 1
1064 1 99 TRP HB2 1 100 LEU H 3.600 . 3.600 3.746 3.639 3.802 0.202 13 0 "[ . 1 .]" 1
1065 1 99 TRP HB3 1 100 LEU H 3.600 . 3.600 2.516 2.435 2.596 . 0 0 "[ . 1 .]" 1
1066 1 99 TRP HE3 1 100 LEU H 4.000 3.400 4.000 3.889 3.307 4.200 0.200 9 0 "[ . 1 .]" 1
1067 1 100 LEU H 1 100 LEU HA 2.800 . 2.800 2.872 2.830 2.935 0.135 14 0 "[ . 1 .]" 1
1068 1 100 LEU H 1 100 LEU HB2 4.400 2.400 4.400 2.216 2.080 2.302 0.320 5 0 "[ . 1 .]" 1
1069 1 100 LEU H 1 100 LEU HB3 4.400 2.400 4.400 3.391 2.601 3.539 . 0 0 "[ . 1 .]" 1
1070 1 100 LEU H 1 100 LEU QD 5.400 . 5.400 3.104 2.397 3.595 . 0 0 "[ . 1 .]" 1
1071 1 100 LEU H 1 101 SER H 2.800 . 2.800 2.672 2.426 2.793 . 0 0 "[ . 1 .]" 1
1072 1 100 LEU HA 1 101 SER H 3.600 . 3.600 3.562 3.542 3.582 . 0 0 "[ . 1 .]" 1
1073 1 100 LEU HB2 1 101 SER H 3.600 . 3.600 2.898 2.652 3.709 0.109 13 0 "[ . 1 .]" 1
1074 1 100 LEU HB3 1 101 SER H 3.600 . 3.600 3.352 2.444 3.695 0.095 14 0 "[ . 1 .]" 1
1075 1 101 SER H 1 101 SER HA 2.800 . 2.800 2.894 2.825 2.944 0.144 14 0 "[ . 1 .]" 1
1076 1 101 SER H 1 101 SER HB2 4.400 2.400 4.400 2.560 2.312 3.562 0.088 8 0 "[ . 1 .]" 1
1077 1 101 SER H 1 101 SER HB3 4.400 2.400 4.400 3.110 2.343 3.556 0.057 13 0 "[ . 1 .]" 1
1078 1 101 SER H 1 102 SER H 2.800 . 2.800 2.671 2.497 2.851 0.051 10 0 "[ . 1 .]" 1
1079 1 101 SER HA 1 102 SER H 3.600 . 3.600 3.580 3.565 3.596 . 0 0 "[ . 1 .]" 1
1080 1 101 SER HB2 1 102 SER H 3.600 . 3.600 2.926 2.256 3.720 0.120 9 0 "[ . 1 .]" 1
1081 1 101 SER HB3 1 102 SER H 3.600 . 3.600 3.195 2.009 3.742 0.142 5 0 "[ . 1 .]" 1
1082 1 102 SER H 1 102 SER HA 2.800 . 2.800 2.751 2.345 2.998 0.198 8 0 "[ . 1 .]" 1
1083 1 102 SER H 1 102 SER HB2 4.400 2.400 4.400 3.101 2.287 3.898 0.113 5 0 "[ . 1 .]" 1
1084 1 102 SER H 1 102 SER HB3 4.400 2.400 4.400 3.448 2.669 4.084 . 0 0 "[ . 1 .]" 1
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