NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
494048 |
2kzu   |
17019 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kzu
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 2089
_Distance_constraint_stats_list.Viol_count 7345
_Distance_constraint_stats_list.Viol_total 28603.492
_Distance_constraint_stats_list.Viol_max 1.879
_Distance_constraint_stats_list.Viol_rms 0.0953
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0219
_Distance_constraint_stats_list.Viol_average_violations_only 0.1558
_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 4 MET 1.571 0.950 15 1 "[ . 1 + 2 .]"
1 5 GLY 5.345 0.529 9 2 "[ . +1 . 2- .]"
1 6 LYS 9.966 0.550 5 4 "[ * + *1 . 2- .]"
1 7 LYS 22.270 0.950 15 7 "[ * *- *1** + 2 .]"
1 8 CYS 3.424 0.851 9 2 "[ .- +1 . 2 .]"
1 9 TYR 34.278 0.866 10 8 "[ - ** +* . * * *]"
1 10 LYS 0.463 0.135 17 0 "[ . 1 . 2 .]"
1 11 LEU 12.826 0.833 12 1 "[ . 1 + . 2 .]"
1 12 GLU 30.836 0.723 22 3 "[ - .* 1 . 2 + .]"
1 13 ASN 0.456 0.078 2 0 "[ . 1 . 2 .]"
1 14 GLU 9.776 0.833 12 1 "[ . 1 + . 2 .]"
1 15 LYS 12.970 0.863 10 1 "[ . + . 2 .]"
1 16 LEU 10.657 0.833 12 1 "[ . 1 + . 2 .]"
1 17 PHE 19.301 0.342 24 0 "[ . 1 . 2 .]"
1 18 GLU 10.785 0.794 15 6 "[ - *. *1 *+ 2 * .]"
1 19 GLU 17.150 0.833 12 7 "[ - *. *1 + ** 2 * .]"
1 20 PHE 22.634 0.267 1 0 "[ . 1 . 2 .]"
1 21 LEU 46.348 1.879 7 19 "[******+****** * * *2 -**]"
1 22 GLU 14.020 0.237 22 0 "[ . 1 . 2 .]"
1 23 LEU 31.438 0.237 22 0 "[ . 1 . 2 .]"
1 24 CYS 12.791 0.373 16 0 "[ . 1 . 2 .]"
1 25 LYS 48.204 1.879 7 20 "[******+****** *** *2 -**]"
1 26 MET 10.947 0.153 19 0 "[ . 1 . 2 .]"
1 27 GLN 20.613 0.583 11 3 "[* . 1+ . -2 .]"
1 28 THR 0.478 0.307 2 0 "[ . 1 . 2 .]"
1 29 ALA 4.590 0.152 3 0 "[ . 1 . 2 .]"
1 30 ASP 2.597 0.468 2 0 "[ . 1 . 2 .]"
1 31 HIS 8.517 0.279 23 0 "[ . 1 . 2 .]"
1 32 PRO 13.802 0.373 16 0 "[ . 1 . 2 .]"
1 33 GLU 7.979 0.589 6 6 "[ - .+ 1 . * * * *.]"
1 34 VAL 6.190 0.159 3 0 "[ . 1 . 2 .]"
1 35 VAL 13.700 0.448 24 0 "[ . 1 . 2 .]"
1 36 PRO 22.967 0.564 21 2 "[ . 1 - . 2+ .]"
1 37 PHE 100.045 1.439 13 25 [************+******-*****]
1 38 LEU 21.371 0.373 16 0 "[ . 1 . 2 .]"
1 39 TYR 36.985 0.674 18 3 "[ . 1 . + 2- *]"
1 40 ASN 14.907 0.912 13 6 "[ *- * * + . 2 *.]"
1 41 ARG 13.724 0.415 17 0 "[ . 1 . 2 .]"
1 42 GLN 10.158 0.307 3 0 "[ . 1 . 2 .]"
1 43 GLN 33.595 0.674 18 4 "[ . 1 . + *- *]"
1 44 ARG 22.697 0.912 13 6 "[ -* * * + . 2 *.]"
1 45 ALA 12.966 0.487 21 0 "[ . 1 . 2 .]"
1 46 HIS 21.396 1.061 21 6 "[ . *1 * . -*2+ * .]"
1 47 SER 0.886 0.156 12 0 "[ . 1 . 2 .]"
1 48 LEU 11.789 0.846 19 1 "[ . 1 . +2 .]"
1 49 PHE 4.589 0.407 23 0 "[ . 1 . 2 .]"
1 50 LEU 7.914 0.338 6 0 "[ . 1 . 2 .]"
1 51 ALA 3.876 0.699 19 1 "[ . 1 . +2 .]"
1 52 SER 3.488 0.221 18 0 "[ . 1 . 2 .]"
1 53 ALA 13.712 0.866 10 5 "[ * +- . * *]"
1 54 GLU 5.457 0.344 5 0 "[ . 1 . 2 .]"
1 55 PHE 6.991 0.196 14 0 "[ . 1 . 2 .]"
1 56 CYS 1.883 0.374 6 0 "[ . 1 . 2 .]"
1 57 ASN 5.079 0.199 19 0 "[ . 1 . 2 .]"
1 58 ILE 11.825 0.364 23 0 "[ . 1 . 2 .]"
1 59 LEU 23.292 0.342 24 0 "[ . 1 . 2 .]"
1 60 SER 3.602 0.283 21 0 "[ . 1 . 2 .]"
1 61 ARG 11.846 0.374 18 0 "[ . 1 . 2 .]"
1 62 VAL 16.767 0.252 21 0 "[ . 1 . 2 .]"
1 63 LEU 33.392 0.393 13 0 "[ . 1 . 2 .]"
1 64 SER 18.386 0.898 1 5 "[+ . * 1 * . * -.]"
1 65 ARG 20.452 0.979 15 7 "[* . * 1 * + ** *.]"
1 66 ALA 11.080 0.525 1 1 "[+ . 1 . 2 .]"
1 67 ARG 17.990 0.594 11 7 "[ ** 1+ * . *2 *- .]"
1 68 SER 11.802 0.525 1 1 "[+ . 1 . 2 .]"
1 69 ARG 14.734 0.358 1 0 "[ . 1 . 2 .]"
1 70 PRO 7.940 0.188 22 0 "[ . 1 . 2 .]"
1 71 ALA 3.316 0.131 22 0 "[ . 1 . 2 .]"
1 72 LYS 49.500 1.621 25 25 [**********************-*+]
1 73 LEU 24.759 0.351 16 0 "[ . 1 . 2 .]"
1 74 TYR 51.194 0.772 14 22 "[* -******* **+** ********]"
1 75 VAL 103.626 1.823 19 25 [******************+*-****]
1 76 TYR 21.508 0.979 15 2 "[ . 1 + 2- .]"
1 77 ILE 22.168 0.303 21 0 "[ . 1 . 2 .]"
1 78 ASN 11.443 0.668 24 2 "[ . 1 . 2- +.]"
1 79 GLU 8.518 0.554 21 1 "[ . 1 . 2+ .]"
1 80 LEU 14.820 0.554 21 1 "[ . 1 . 2+ .]"
1 81 CYS 48.285 1.439 13 25 [**-*********+************]
1 82 THR 0.578 0.078 19 0 "[ . 1 . 2 .]"
1 83 VAL 9.264 0.407 23 0 "[ . 1 . 2 .]"
1 84 LEU 11.355 0.415 17 0 "[ . 1 . 2 .]"
1 85 LYS 15.591 0.546 12 1 "[ . 1 + . 2 .]"
1 86 ALA 4.864 0.148 18 0 "[ . 1 . 2 .]"
1 87 HIS 13.330 0.303 24 0 "[ . 1 . 2 .]"
1 88 SER 5.792 0.303 24 0 "[ . 1 . 2 .]"
1 89 ALA 26.219 1.061 21 5 "[ . *1 * . - 2+ * .]"
1 90 LYS 2.988 0.224 25 0 "[ . 1 . 2 .]"
1 91 LYS 2.657 0.550 5 1 "[ + 1 . 2 .]"
1 92 LYS 5.309 0.574 24 3 "[ * 1 . -2 +.]"
1 93 LEU 3.776 0.537 21 1 "[ . 1 . 2+ .]"
1 94 ASN 4.816 0.537 21 1 "[ . 1 . 2+ .]"
2 1 GLY 13.202 1.480 21 10 "[* - . * * ***+* *]"
2 2 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 3 GLN 17.034 1.480 21 10 "[* - . * * ***+* *]"
2 4 GLU 11.545 0.347 9 0 "[ . 1 . 2 .]"
2 5 ASP 25.623 0.942 3 12 "[**+ . **** * . *- * *.]"
2 6 SER 17.005 0.615 21 6 "[- . * 1 *. **2+ .]"
2 7 ASP 24.587 0.942 3 16 "[**+*.***** ***. *- * *.]"
2 8 SER 29.452 0.600 16 11 "[* *** - 1* .+ * 2* **.]"
2 9 GLU 44.910 0.723 10 12 "[ ** * + ** .* *** * -.]"
2 10 LEU 67.278 0.914 20 20 "[******- **** *.* **+****.]"
2 11 GLU 47.121 1.217 10 25 [*********+***-***********]
2 12 GLN 57.393 0.786 6 25 [*****+-******************]
2 13 TYR 18.334 0.368 24 0 "[ . 1 . 2 .]"
2 14 PHE 58.366 1.175 5 25 [****+******************-*]
2 15 THR 105.893 1.823 19 25 [*********-********+******]
2 16 ALA 45.985 0.898 24 25 [**********************-+*]
2 17 ARG 69.695 1.483 15 25 [**************+*******-**]
2 18 TRP 88.359 1.483 15 25 [*********-****+**********]
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 4 MET HA 1 5 GLY H 3.063 . 4.236 2.824 2.122 3.571 . 0 0 "[ . 1 . 2 .]" 1
2 1 4 MET QG 1 7 LYS HE3 2.766 . 3.723 3.255 1.995 4.673 0.950 15 1 "[ . 1 + 2 .]" 1
3 1 4 MET QG 1 7 LYS QE 2.795 . 3.771 3.059 1.978 3.707 . 0 0 "[ . 1 . 2 .]" 1
4 1 5 GLY H 1 5 GLY HA2 2.804 . 3.787 2.670 2.282 2.954 . 0 0 "[ . 1 . 2 .]" 1
5 1 5 GLY HA2 1 6 LYS H 2.347 . 3.035 3.042 2.124 3.564 0.529 9 2 "[ . +1 . 2- .]" 1
6 1 6 LYS H 1 6 LYS HA 2.499 . 3.280 2.751 2.217 2.948 . 0 0 "[ . 1 . 2 .]" 1
7 1 6 LYS H 1 6 LYS HA 2.980 . 4.090 2.641 2.194 2.795 . 0 0 "[ . 1 . 2 .]" 1
8 1 6 LYS H 1 6 LYS HB2 2.753 . 3.700 3.139 2.009 3.921 0.221 16 0 "[ . 1 . 2 .]" 1
9 1 6 LYS H 1 6 LYS HB3 2.588 . 3.425 3.066 2.176 3.958 0.533 2 1 "[ + . 1 . 2 .]" 1
10 1 6 LYS H 1 6 LYS QG 2.644 . 3.518 2.730 1.876 3.640 0.122 22 0 "[ . 1 . 2 .]" 1
11 1 6 LYS HA 1 6 LYS HB2 2.116 . 2.676 1.956 1.592 2.151 . 0 0 "[ . 1 . 2 .]" 1
12 1 6 LYS HA 1 6 LYS HB3 2.069 . 2.604 2.474 2.319 2.803 0.199 19 0 "[ . 1 . 2 .]" 1
13 1 6 LYS HA 1 6 LYS QG 2.097 . 2.647 2.358 2.007 2.717 0.070 21 0 "[ . 1 . 2 .]" 1
14 1 6 LYS HA 1 7 LYS H 2.014 . 2.521 2.203 1.920 3.071 0.550 5 1 "[ + 1 . 2 .]" 1
15 1 6 LYS QG 1 7 LYS H 2.760 . 3.712 3.567 2.852 3.811 0.099 21 0 "[ . 1 . 2 .]" 1
16 1 7 LYS H 1 7 LYS HA 2.198 . 2.802 2.861 2.738 2.927 0.125 11 0 "[ . 1 . 2 .]" 1
17 1 7 LYS H 1 7 LYS HA 2.174 . 2.765 2.374 2.065 2.790 0.025 6 0 "[ . 1 . 2 .]" 1
18 1 7 LYS H 1 7 LYS QB 2.786 . 3.445 2.348 2.073 2.979 . 0 0 "[ . 1 . 2 .]" 1
19 1 7 LYS HA 1 7 LYS QB 2.190 . 2.790 2.435 2.123 2.533 . 0 0 "[ . 1 . 2 .]" 1
20 1 7 LYS HA 1 7 LYS HD2 2.743 . 3.683 2.928 1.760 4.559 0.876 12 3 "[ - . 1*+ . 2 .]" 1
21 1 7 LYS HA 1 7 LYS HG2 2.629 . 3.493 3.063 2.110 3.691 0.198 5 0 "[ . 1 . 2 .]" 1
22 1 7 LYS HA 1 7 LYS HG3 2.677 . 3.573 3.272 2.439 4.171 0.598 3 2 "[ + - 1 . 2 .]" 1
23 1 7 LYS HA 1 8 CYS H 2.337 . 3.020 2.161 2.075 2.358 . 0 0 "[ . 1 . 2 .]" 1
24 1 7 LYS HA 1 8 CYS QB 3.052 . 4.216 4.100 3.903 4.277 0.061 6 0 "[ . 1 . 2 .]" 1
25 1 7 LYS QB 1 7 LYS HG2 1.994 . 2.491 2.273 2.115 2.447 . 0 0 "[ . 1 . 2 .]" 1
26 1 7 LYS QB 1 7 LYS HG3 2.192 . 2.792 2.222 2.107 2.519 . 0 0 "[ . 1 . 2 .]" 1
27 1 7 LYS QB 1 8 CYS H 3.296 . 4.654 3.279 2.359 3.902 . 0 0 "[ . 1 . 2 .]" 1
28 1 7 LYS QB 1 9 TYR H 2.921 . 3.987 3.231 2.874 3.484 . 0 0 "[ . 1 . 2 .]" 1
29 1 7 LYS QB 1 9 TYR HD1 3.138 . 4.369 3.224 2.233 4.317 . 0 0 "[ . 1 . 2 .]" 1
30 1 7 LYS QB 1 9 TYR QD 3.063 . 4.236 3.162 2.232 4.180 . 0 0 "[ . 1 . 2 .]" 1
31 1 7 LYS QB 1 9 TYR HE1 2.492 . 3.268 2.519 1.703 3.315 0.047 5 0 "[ . 1 . 2 .]" 1
32 1 7 LYS QB 1 9 TYR QE 2.690 . 3.595 2.477 1.703 3.300 0.082 23 0 "[ . 1 . 2 .]" 1
33 1 7 LYS QB 1 9 TYR QE 2.584 . 3.419 2.362 1.700 3.049 0.049 23 0 "[ . 1 . 2 .]" 1
34 1 7 LYS QD 1 9 TYR QE 2.484 . 3.255 2.397 1.625 3.248 0.088 14 0 "[ . 1 . 2 .]" 1
35 1 7 LYS HD2 1 7 LYS QE 2.266 . 2.908 2.351 2.317 2.399 . 0 0 "[ . 1 . 2 .]" 1
36 1 7 LYS HD2 1 7 LYS HE3 2.086 . 2.630 2.454 2.409 2.524 . 0 0 "[ . 1 . 2 .]" 1
37 1 7 LYS HD2 1 7 LYS HG2 2.163 . 2.748 2.997 2.869 3.011 0.263 16 0 "[ . 1 . 2 .]" 1
38 1 7 LYS HD2 1 7 LYS HG3 2.300 . 2.961 2.441 2.209 2.539 . 0 0 "[ . 1 . 2 .]" 1
39 1 7 LYS QE 1 7 LYS HG2 2.556 . 3.372 2.400 2.072 2.545 . 0 0 "[ . 1 . 2 .]" 1
40 1 7 LYS QE 1 7 LYS HG3 2.465 . 3.225 2.391 2.235 2.861 . 0 0 "[ . 1 . 2 .]" 1
41 1 7 LYS HE2 1 7 LYS HG2 2.438 . 3.181 2.522 2.246 2.696 . 0 0 "[ . 1 . 2 .]" 1
42 1 7 LYS HE2 1 7 LYS HG3 2.406 . 3.130 3.071 2.882 3.479 0.349 20 0 "[ . 1 . 2 .]" 1
43 1 7 LYS HE2 1 9 TYR QE 3.106 . 4.312 3.939 2.370 4.390 0.078 14 0 "[ . 1 . 2 .]" 1
44 1 7 LYS HE3 1 7 LYS HG2 2.462 . 3.220 3.026 2.432 3.180 . 0 0 "[ . 1 . 2 .]" 1
45 1 7 LYS HE3 1 7 LYS HG3 2.403 . 3.125 2.496 2.329 3.043 . 0 0 "[ . 1 . 2 .]" 1
46 1 7 LYS HE3 1 9 TYR QE 3.007 . 4.138 3.338 2.468 4.510 0.372 20 0 "[ . 1 . 2 .]" 1
47 1 7 LYS HG2 1 8 CYS H 3.359 . 4.769 4.630 3.946 5.620 0.851 9 2 "[ .- +1 . 2 .]" 1
48 1 8 CYS H 1 8 CYS QB 2.870 . 3.900 2.533 2.215 3.114 . 0 0 "[ . 1 . 2 .]" 1
49 1 8 CYS HA 1 8 CYS QB 2.215 . 2.828 2.358 2.172 2.433 . 0 0 "[ . 1 . 2 .]" 1
50 1 8 CYS HA 1 9 TYR H 2.467 . 3.227 2.163 2.117 2.195 . 0 0 "[ . 1 . 2 .]" 1
51 1 8 CYS HA 1 51 ALA MB 2.670 . 3.561 3.438 3.014 3.742 0.181 25 0 "[ . 1 . 2 .]" 1
52 1 8 CYS QB 1 9 TYR H 2.962 . 4.059 3.723 3.102 3.972 . 0 0 "[ . 1 . 2 .]" 1
53 1 9 TYR H 1 9 TYR HA 2.249 . 2.881 2.913 2.793 2.947 0.066 23 0 "[ . 1 . 2 .]" 1
54 1 9 TYR H 1 9 TYR HB2 3.061 . 4.232 2.525 2.383 2.630 . 0 0 "[ . 1 . 2 .]" 1
55 1 9 TYR H 1 9 TYR HB3 3.173 . 4.432 3.663 3.503 3.763 . 0 0 "[ . 1 . 2 .]" 1
56 1 9 TYR H 1 9 TYR HD1 2.780 . 3.746 2.881 2.248 4.084 0.338 20 0 "[ . 1 . 2 .]" 1
57 1 9 TYR H 1 9 TYR HE1 3.554 . 5.133 4.990 4.603 5.264 0.131 20 0 "[ . 1 . 2 .]" 1
58 1 9 TYR H 1 10 LYS H 2.870 . 3.899 2.469 2.248 2.886 . 0 0 "[ . 1 . 2 .]" 1
59 1 9 TYR H 1 10 LYS QB 3.323 . 4.703 4.140 3.803 4.631 . 0 0 "[ . 1 . 2 .]" 1
60 1 9 TYR H 1 13 ASN H 3.181 . 4.446 4.372 4.226 4.462 0.016 5 0 "[ . 1 . 2 .]" 1
61 1 9 TYR H 1 51 ALA MB 2.676 . 3.571 3.320 2.924 3.636 0.065 12 0 "[ . 1 . 2 .]" 1
62 1 9 TYR HA 1 9 TYR HB2 2.927 . 3.998 3.012 2.993 3.024 . 0 0 "[ . 1 . 2 .]" 1
63 1 9 TYR HA 1 9 TYR HB3 2.775 . 3.738 2.512 2.368 2.590 . 0 0 "[ . 1 . 2 .]" 1
64 1 9 TYR HA 1 9 TYR HD1 2.592 . 3.432 3.375 2.602 3.663 0.231 16 0 "[ . 1 . 2 .]" 1
65 1 9 TYR HA 1 11 LEU MD1 2.862 . 3.886 3.539 3.347 3.728 . 0 0 "[ . 1 . 2 .]" 1
66 1 9 TYR HA 1 12 GLU HB2 2.945 . 4.029 2.191 1.975 2.874 . 0 0 "[ . 1 . 2 .]" 1
67 1 9 TYR HA 1 12 GLU HB3 3.134 . 4.362 4.565 3.612 5.085 0.723 22 3 "[ - .* 1 . 2 + .]" 1
68 1 9 TYR HA 1 12 GLU QG 3.676 . 5.365 3.523 2.995 3.921 . 0 0 "[ . 1 . 2 .]" 1
69 1 9 TYR HA 1 13 ASN H 3.436 . 4.912 4.540 4.053 4.962 0.050 22 0 "[ . 1 . 2 .]" 1
70 1 9 TYR HB2 1 9 TYR HD1 2.535 . 3.338 2.757 2.457 3.739 0.401 25 0 "[ . 1 . 2 .]" 1
71 1 9 TYR HB2 1 53 ALA MB 2.942 . 4.024 4.412 4.211 4.890 0.866 10 5 "[ * +- . * *]" 1
72 1 9 TYR HB3 1 9 TYR HD1 2.684 . 3.584 3.450 2.518 3.697 0.113 23 0 "[ . 1 . 2 .]" 1
73 1 9 TYR HB3 1 9 TYR QE 2.906 . 3.962 3.667 3.662 3.680 . 0 0 "[ . 1 . 2 .]" 1
74 1 9 TYR QD 1 12 GLU HB2 2.863 . 3.887 3.337 2.563 3.956 0.069 5 0 "[ . 1 . 2 .]" 1
75 1 9 TYR QD 1 12 GLU HB3 3.108 . 4.315 3.813 2.982 4.521 0.206 25 0 "[ . 1 . 2 .]" 1
76 1 9 TYR QD 1 12 GLU HB3 2.783 . 3.751 3.629 2.955 4.095 0.344 5 0 "[ . 1 . 2 .]" 1
77 1 9 TYR QD 1 12 GLU QG 3.372 . 4.793 3.252 2.015 3.776 . 0 0 "[ . 1 . 2 .]" 1
78 1 9 TYR QD 1 13 ASN QD 3.363 . 4.777 3.378 2.809 3.836 . 0 0 "[ . 1 . 2 .]" 1
79 1 9 TYR QD 1 52 SER H 3.271 . 4.608 4.536 3.429 4.829 0.221 18 0 "[ . 1 . 2 .]" 1
80 1 9 TYR QD 1 53 ALA H 3.205 . 4.489 3.146 2.853 3.511 . 0 0 "[ . 1 . 2 .]" 1
81 1 9 TYR QD 1 53 ALA HA 2.648 . 3.525 2.814 2.646 2.957 . 0 0 "[ . 1 . 2 .]" 1
82 1 9 TYR QD 1 53 ALA MB 2.476 . 3.243 3.143 2.801 3.274 0.031 3 0 "[ . 1 . 2 .]" 1
83 1 9 TYR HD1 1 53 ALA H 3.108 . 4.315 3.401 2.895 4.347 0.032 10 0 "[ . 1 . 2 .]" 1
84 1 9 TYR HD1 1 53 ALA HA 2.748 . 3.692 3.330 2.749 3.756 0.064 3 0 "[ . 1 . 2 .]" 1
85 1 9 TYR HD1 1 53 ALA MB 2.740 . 3.678 3.229 2.812 3.498 . 0 0 "[ . 1 . 2 .]" 1
86 1 9 TYR QE 1 53 ALA H 3.337 . 4.729 3.653 2.909 4.218 . 0 0 "[ . 1 . 2 .]" 1
87 1 9 TYR QE 1 53 ALA HA 2.937 . 4.015 3.711 3.220 4.175 0.160 11 0 "[ . 1 . 2 .]" 1
88 1 9 TYR QE 1 53 ALA MB 2.220 . 2.836 2.410 2.161 2.647 . 0 0 "[ . 1 . 2 .]" 1
89 1 9 TYR HE1 1 53 ALA H 3.071 . 4.250 3.922 3.309 4.376 0.126 11 0 "[ . 1 . 2 .]" 1
90 1 9 TYR HE1 1 53 ALA MB 2.249 . 2.881 2.442 2.166 2.770 . 0 0 "[ . 1 . 2 .]" 1
91 1 10 LYS H 1 10 LYS HA 2.787 . 3.758 2.763 2.702 2.808 . 0 0 "[ . 1 . 2 .]" 1
92 1 10 LYS H 1 10 LYS QB 2.877 . 3.782 2.307 2.050 2.696 . 0 0 "[ . 1 . 2 .]" 1
93 1 10 LYS H 1 10 LYS HG2 3.374 . 4.797 3.898 1.816 4.590 0.135 17 0 "[ . 1 . 2 .]" 1
94 1 10 LYS H 1 11 LEU H 2.872 . 3.903 2.974 2.779 3.123 . 0 0 "[ . 1 . 2 .]" 1
95 1 10 LYS H 1 51 ALA MB 2.573 . 3.401 3.007 2.684 3.313 . 0 0 "[ . 1 . 2 .]" 1
96 1 10 LYS HA 1 10 LYS QB 2.394 . 3.110 2.320 2.159 2.514 . 0 0 "[ . 1 . 2 .]" 1
97 1 10 LYS HA 1 11 LEU H 2.869 . 3.898 3.566 3.537 3.594 . 0 0 "[ . 1 . 2 .]" 1
98 1 10 LYS HA 1 13 ASN H 2.743 . 3.683 3.225 3.112 3.320 . 0 0 "[ . 1 . 2 .]" 1
99 1 10 LYS HA 1 51 ALA H 3.293 . 4.649 3.656 3.285 4.043 . 0 0 "[ . 1 . 2 .]" 1
100 1 10 LYS HA 1 51 ALA HA 2.380 . 3.088 2.350 2.112 2.830 . 0 0 "[ . 1 . 2 .]" 1
101 1 10 LYS HA 1 51 ALA MB 2.391 . 3.106 3.043 2.772 3.168 0.062 12 0 "[ . 1 . 2 .]" 1
102 1 10 LYS QB 1 11 LEU H 2.792 . 3.511 2.411 2.061 3.195 . 0 0 "[ . 1 . 2 .]" 1
103 1 10 LYS QB 1 52 SER H 3.472 . 4.979 4.331 4.184 4.512 . 0 0 "[ . 1 . 2 .]" 1
104 1 10 LYS QB 1 51 ALA H 2.931 . 4.005 2.706 2.374 3.103 . 0 0 "[ . 1 . 2 .]" 1
105 1 10 LYS QB 1 51 ALA HA 2.703 . 3.616 3.085 2.650 3.557 . 0 0 "[ . 1 . 2 .]" 1
106 1 10 LYS QB 1 51 ALA MB 2.164 . 2.750 2.143 1.817 2.607 . 0 0 "[ . 1 . 2 .]" 1
107 1 11 LEU H 1 11 LEU HA 2.653 . 3.533 2.761 2.733 2.799 . 0 0 "[ . 1 . 2 .]" 1
108 1 11 LEU H 1 11 LEU HA 2.451 . 3.202 2.473 2.459 2.494 . 0 0 "[ . 1 . 2 .]" 1
109 1 11 LEU H 1 11 LEU HB2 2.271 . 2.916 2.838 2.558 2.932 0.016 4 0 "[ . 1 . 2 .]" 1
110 1 11 LEU H 1 11 LEU HB3 2.480 . 3.249 2.574 2.514 2.679 . 0 0 "[ . 1 . 2 .]" 1
111 1 11 LEU H 1 11 LEU MD1 2.473 . 3.237 2.710 1.876 3.375 0.138 9 0 "[ . 1 . 2 .]" 1
112 1 11 LEU H 1 11 LEU MD2 2.291 . 2.947 1.595 1.555 1.647 0.080 13 0 "[ . 1 . 2 .]" 1
113 1 11 LEU H 1 11 LEU HG 2.360 . 3.056 2.980 2.620 3.110 0.054 4 0 "[ . 1 . 2 .]" 1
114 1 11 LEU H 1 11 LEU HG 2.797 . 3.775 2.600 1.950 3.027 . 0 0 "[ . 1 . 2 .]" 1
115 1 11 LEU H 1 12 GLU H 2.547 . 3.358 2.813 2.684 2.896 . 0 0 "[ . 1 . 2 .]" 1
116 1 11 LEU HA 1 11 LEU HB2 2.330 . 3.009 2.465 2.432 2.499 . 0 0 "[ . 1 . 2 .]" 1
117 1 11 LEU HA 1 11 LEU HB2 2.156 . 2.737 2.274 2.252 2.312 . 0 0 "[ . 1 . 2 .]" 1
118 1 11 LEU HA 1 11 LEU HB3 2.318 . 2.990 2.406 2.367 2.429 . 0 0 "[ . 1 . 2 .]" 1
119 1 11 LEU HA 1 11 LEU HG 2.526 . 3.323 3.265 3.132 3.581 0.258 15 0 "[ . 1 . 2 .]" 1
120 1 11 LEU HA 1 12 GLU H 2.756 . 3.706 3.525 3.490 3.554 . 0 0 "[ . 1 . 2 .]" 1
121 1 11 LEU HA 1 13 ASN H 3.161 . 4.410 4.344 4.152 4.488 0.078 2 0 "[ . 1 . 2 .]" 1
122 1 11 LEU HA 1 14 GLU HB2 2.337 . 3.020 2.561 1.989 2.998 . 0 0 "[ . 1 . 2 .]" 1
123 1 11 LEU HA 1 14 GLU HB3 2.469 . 3.231 3.345 2.971 4.064 0.833 12 1 "[ . 1 + . 2 .]" 1
124 1 11 LEU HB2 1 11 LEU MD1 2.098 . 2.648 2.186 2.148 2.220 . 0 0 "[ . 1 . 2 .]" 1
125 1 11 LEU HB2 1 11 LEU MD1 1.760 . 2.147 1.920 1.902 1.933 . 0 0 "[ . 1 . 2 .]" 1
126 1 11 LEU HB2 1 12 GLU QG 2.686 . 3.588 2.525 2.084 2.958 . 0 0 "[ . 1 . 2 .]" 1
127 1 11 LEU HB2 1 12 GLU QG 2.934 . 4.010 2.523 2.083 2.955 . 0 0 "[ . 1 . 2 .]" 1
128 1 11 LEU HB2 1 13 ASN H 3.221 . 4.518 4.364 4.216 4.468 . 0 0 "[ . 1 . 2 .]" 1
129 1 11 LEU HB2 1 12 GLU H 2.670 . 3.561 3.605 3.554 3.642 0.081 25 0 "[ . 1 . 2 .]" 1
130 1 11 LEU HB2 1 16 LEU H 3.137 . 4.367 4.233 4.012 4.351 . 0 0 "[ . 1 . 2 .]" 1
131 1 11 LEU HB3 1 11 LEU MD1 2.089 . 2.634 2.588 2.488 2.666 0.032 5 0 "[ . 1 . 2 .]" 1
132 1 11 LEU HB3 1 11 LEU MD2 1.765 . 2.155 1.795 1.783 1.805 . 0 0 "[ . 1 . 2 .]" 1
133 1 11 LEU HB3 1 12 GLU H 2.671 . 3.563 3.782 3.665 3.905 0.342 13 0 "[ . 1 . 2 .]" 1
134 1 11 LEU QD 1 12 GLU HA 2.838 . 3.845 3.331 3.217 3.438 . 0 0 "[ . 1 . 2 .]" 1
135 1 11 LEU MD1 1 11 LEU HG 1.944 . 2.416 2.128 2.121 2.133 . 0 0 "[ . 1 . 2 .]" 1
136 1 11 LEU MD1 1 12 GLU H 3.027 . 4.173 3.580 3.521 3.738 . 0 0 "[ . 1 . 2 .]" 1
137 1 11 LEU MD1 1 12 GLU QG 2.645 . 3.519 3.022 2.749 3.149 . 0 0 "[ . 1 . 2 .]" 1
138 1 11 LEU HG 1 12 GLU H 2.516 . 3.307 1.840 1.743 2.004 . 0 0 "[ . 1 . 2 .]" 1
139 1 11 LEU HG 1 12 GLU HA 2.625 . 3.486 2.724 2.274 3.235 . 0 0 "[ . 1 . 2 .]" 1
140 1 12 GLU H 1 12 GLU HA 2.397 . 3.115 2.771 2.735 2.824 . 0 0 "[ . 1 . 2 .]" 1
141 1 12 GLU H 1 12 GLU HB2 2.464 . 3.223 2.205 2.123 2.276 . 0 0 "[ . 1 . 2 .]" 1
142 1 12 GLU H 1 12 GLU HB3 2.488 . 3.262 3.492 3.442 3.538 0.276 13 0 "[ . 1 . 2 .]" 1
143 1 12 GLU H 1 12 GLU QG 2.712 . 3.632 2.578 2.407 2.844 . 0 0 "[ . 1 . 2 .]" 1
144 1 12 GLU H 1 13 ASN H 2.616 . 3.472 2.850 2.639 2.931 . 0 0 "[ . 1 . 2 .]" 1
145 1 12 GLU H 1 14 GLU H 3.142 . 4.376 4.078 3.860 4.233 . 0 0 "[ . 1 . 2 .]" 1
146 1 12 GLU HA 1 12 GLU HB2 2.119 . 2.680 2.969 2.931 2.997 0.317 20 0 "[ . 1 . 2 .]" 1
147 1 12 GLU HA 1 12 GLU HB3 2.193 . 2.794 2.628 2.527 2.718 . 0 0 "[ . 1 . 2 .]" 1
148 1 12 GLU HA 1 12 GLU QG 2.394 . 2.825 2.312 2.038 2.786 . 0 0 "[ . 1 . 2 .]" 1
149 1 12 GLU HA 1 12 GLU QG 1.937 . 2.406 1.913 1.833 2.119 . 0 0 "[ . 1 . 2 .]" 1
150 1 12 GLU HA 1 13 ASN H 2.787 . 3.758 3.556 3.521 3.585 . 0 0 "[ . 1 . 2 .]" 1
151 1 12 GLU HA 1 15 LYS H 2.875 . 3.908 3.949 3.725 4.066 0.158 20 0 "[ . 1 . 2 .]" 1
152 1 12 GLU HA 1 16 LEU QD 2.425 . 3.160 2.294 2.013 2.495 . 0 0 "[ . 1 . 2 .]" 1
153 1 12 GLU HB2 1 13 ASN H 2.671 . 3.563 2.583 2.360 2.832 . 0 0 "[ . 1 . 2 .]" 1
154 1 12 GLU HB3 1 12 GLU QG 2.161 . 2.745 2.321 2.222 2.402 . 0 0 "[ . 1 . 2 .]" 1
155 1 12 GLU HB3 1 13 ASN H 2.708 . 3.625 3.110 2.957 3.218 . 0 0 "[ . 1 . 2 .]" 1
156 1 12 GLU HB3 1 16 LEU QD 2.415 . 3.144 2.363 1.927 2.864 . 0 0 "[ . 1 . 2 .]" 1
157 1 12 GLU QG 1 13 ASN H 3.138 . 4.369 4.057 3.932 4.173 . 0 0 "[ . 1 . 2 .]" 1
158 1 12 GLU QG 1 16 LEU QD 2.831 . 3.833 3.293 3.136 3.435 . 0 0 "[ . 1 . 2 .]" 1
159 1 12 GLU QG 1 16 LEU QD 3.291 . 4.645 3.422 3.334 3.493 . 0 0 "[ . 1 . 2 .]" 1
160 1 12 GLU QG 1 16 LEU QD 2.783 . 3.751 3.690 3.609 3.790 0.039 5 0 "[ . 1 . 2 .]" 1
161 1 13 ASN H 1 13 ASN HA 2.716 . 3.638 2.865 2.816 2.910 . 0 0 "[ . 1 . 2 .]" 1
162 1 13 ASN H 1 13 ASN HB2 2.769 . 3.728 3.136 2.432 3.670 . 0 0 "[ . 1 . 2 .]" 1
163 1 13 ASN H 1 13 ASN HB3 2.753 . 3.700 3.165 2.711 3.610 . 0 0 "[ . 1 . 2 .]" 1
164 1 13 ASN H 1 13 ASN QD 3.320 . 4.698 2.851 2.269 3.501 . 0 0 "[ . 1 . 2 .]" 1
165 1 13 ASN H 1 14 GLU H 2.673 . 3.566 2.544 2.365 2.710 . 0 0 "[ . 1 . 2 .]" 1
166 1 13 ASN H 1 15 LYS H 3.283 . 4.631 4.432 4.296 4.543 . 0 0 "[ . 1 . 2 .]" 1
167 1 13 ASN H 1 59 LEU QD 3.280 . 4.625 4.246 4.173 4.357 . 0 0 "[ . 1 . 2 .]" 1
168 1 13 ASN HA 1 13 ASN HB2 2.933 . 4.008 2.726 2.432 3.031 . 0 0 "[ . 1 . 2 .]" 1
169 1 13 ASN HA 1 14 GLU H 3.029 . 4.176 3.475 3.413 3.536 . 0 0 "[ . 1 . 2 .]" 1
170 1 13 ASN HA 1 16 LEU H 3.087 . 4.278 3.199 2.968 3.484 . 0 0 "[ . 1 . 2 .]" 1
171 1 13 ASN HA 1 16 LEU H 3.057 . 4.225 2.619 2.535 2.685 . 0 0 "[ . 1 . 2 .]" 1
172 1 13 ASN HA 1 16 LEU QD 2.512 . 3.300 2.512 2.371 2.682 . 0 0 "[ . 1 . 2 .]" 1
173 1 13 ASN HA 1 59 LEU QD 2.469 . 3.231 2.124 2.034 2.222 . 0 0 "[ . 1 . 2 .]" 1
174 1 13 ASN HB2 1 13 ASN QD 3.021 . 4.162 2.767 2.184 3.234 . 0 0 "[ . 1 . 2 .]" 1
175 1 13 ASN HB2 1 14 GLU H 3.161 . 4.410 3.542 2.856 4.092 . 0 0 "[ . 1 . 2 .]" 1
176 1 13 ASN HB2 1 55 PHE QE 3.073 . 4.253 3.132 2.026 4.011 . 0 0 "[ . 1 . 2 .]" 1
177 1 13 ASN HB2 1 59 LEU QD 2.877 . 3.912 2.619 1.771 3.547 0.071 4 0 "[ . 1 . 2 .]" 1
178 1 13 ASN HB3 1 13 ASN QD 3.150 . 4.309 2.439 2.095 2.875 . 0 0 "[ . 1 . 2 .]" 1
179 1 13 ASN HB3 1 59 LEU QD 2.931 . 4.005 2.286 2.081 2.597 . 0 0 "[ . 1 . 2 .]" 1
180 1 13 ASN QD 1 51 ALA H 3.419 . 4.880 4.069 3.906 4.347 . 0 0 "[ . 1 . 2 .]" 1
181 1 13 ASN QD 1 51 ALA HA 2.944 . 4.028 2.400 1.843 2.772 0.017 16 0 "[ . 1 . 2 .]" 1
182 1 13 ASN QD 1 51 ALA MB 3.050 . 4.213 3.808 3.380 4.129 . 0 0 "[ . 1 . 2 .]" 1
183 1 13 ASN QD 1 52 SER H 3.355 . 4.762 2.932 2.100 3.804 . 0 0 "[ . 1 . 2 .]" 1
184 1 13 ASN QD 1 55 PHE QD 3.104 . 4.308 2.936 2.459 3.570 . 0 0 "[ . 1 . 2 .]" 1
185 1 13 ASN QD 1 56 CYS H 2.981 . 4.092 3.538 2.859 4.067 . 0 0 "[ . 1 . 2 .]" 1
186 1 13 ASN QD 1 56 CYS H 3.156 . 4.401 3.505 2.852 4.010 . 0 0 "[ . 1 . 2 .]" 1
187 1 14 GLU H 1 14 GLU HA 2.418 . 3.149 2.808 2.759 2.834 . 0 0 "[ . 1 . 2 .]" 1
188 1 14 GLU H 1 14 GLU HB2 2.335 . 3.016 2.443 2.264 2.536 . 0 0 "[ . 1 . 2 .]" 1
189 1 14 GLU H 1 14 GLU HB3 2.610 . 3.461 3.561 3.444 3.589 0.128 19 0 "[ . 1 . 2 .]" 1
190 1 14 GLU H 1 14 GLU HG2 2.462 . 3.220 3.260 3.120 3.323 0.103 12 0 "[ . 1 . 2 .]" 1
191 1 14 GLU H 1 14 GLU HG3 2.469 . 3.231 2.288 2.174 2.462 . 0 0 "[ . 1 . 2 .]" 1
192 1 14 GLU H 1 15 LYS H 2.555 . 3.371 2.725 2.609 2.802 . 0 0 "[ . 1 . 2 .]" 1
193 1 14 GLU H 1 16 LEU H 3.293 . 4.649 3.733 3.622 3.898 . 0 0 "[ . 1 . 2 .]" 1
194 1 14 GLU H 1 16 LEU H 2.973 . 4.078 2.765 2.714 2.800 . 0 0 "[ . 1 . 2 .]" 1
195 1 14 GLU H 1 16 LEU H 2.946 . 4.031 3.485 3.404 3.561 . 0 0 "[ . 1 . 2 .]" 1
196 1 14 GLU H 1 59 LEU QD 3.044 . 4.202 3.887 3.859 3.927 . 0 0 "[ . 1 . 2 .]" 1
197 1 14 GLU HA 1 14 GLU HB3 2.203 . 2.810 2.487 2.440 2.522 . 0 0 "[ . 1 . 2 .]" 1
198 1 14 GLU HA 1 14 GLU HG2 2.106 . 2.661 2.421 2.303 2.525 . 0 0 "[ . 1 . 2 .]" 1
199 1 14 GLU HA 1 14 GLU HG3 2.531 . 3.332 3.186 2.962 3.297 . 0 0 "[ . 1 . 2 .]" 1
200 1 14 GLU HA 1 15 LYS H 2.979 . 4.089 3.560 3.476 3.591 . 0 0 "[ . 1 . 2 .]" 1
201 1 14 GLU HA 1 15 LYS H 2.359 . 3.055 2.748 2.722 2.766 . 0 0 "[ . 1 . 2 .]" 1
202 1 14 GLU HA 1 16 LEU H 2.687 . 3.590 3.624 3.423 3.730 0.140 13 0 "[ . 1 . 2 .]" 1
203 1 14 GLU HA 1 17 PHE QB 2.714 . 3.635 3.303 2.863 3.546 . 0 0 "[ . 1 . 2 .]" 1
204 1 14 GLU HA 1 42 GLN QE 3.065 . 4.239 3.015 2.364 4.234 . 0 0 "[ . 1 . 2 .]" 1
205 1 14 GLU HB2 1 14 GLU HG3 1.898 . 2.348 2.349 2.299 2.378 0.030 23 0 "[ . 1 . 2 .]" 1
206 1 14 GLU HB2 1 15 LYS H 2.736 . 3.672 2.397 2.133 2.648 . 0 0 "[ . 1 . 2 .]" 1
207 1 14 GLU HB2 1 15 LYS QG 2.602 . 3.449 2.999 2.544 3.475 0.026 10 0 "[ . 1 . 2 .]" 1
208 1 14 GLU HB2 1 16 LEU H 3.271 . 4.608 4.246 4.081 4.433 . 0 0 "[ . 1 . 2 .]" 1
209 1 14 GLU HB2 1 17 PHE H 3.296 . 4.654 4.460 4.315 4.559 . 0 0 "[ . 1 . 2 .]" 1
210 1 14 GLU HB3 1 14 GLU HG3 2.295 . 2.954 2.982 2.962 2.989 0.035 23 0 "[ . 1 . 2 .]" 1
211 1 14 GLU HB3 1 15 LYS H 2.619 . 3.476 3.167 2.945 3.355 . 0 0 "[ . 1 . 2 .]" 1
212 1 14 GLU HG2 1 42 GLN QE 3.477 . 4.988 3.645 2.570 4.588 . 0 0 "[ . 1 . 2 .]" 1
213 1 14 GLU HG3 1 15 LYS H 3.081 . 4.268 4.216 4.092 4.306 0.038 19 0 "[ . 1 . 2 .]" 1
214 1 15 LYS H 1 15 LYS HA 2.358 . 3.053 2.859 2.824 2.878 . 0 0 "[ . 1 . 2 .]" 1
215 1 15 LYS H 1 15 LYS HB2 2.133 . 2.702 2.670 2.453 3.565 0.863 10 1 "[ . + . 2 .]" 1
216 1 15 LYS H 1 15 LYS QG 2.670 . 3.561 1.987 1.771 2.205 0.043 12 0 "[ . 1 . 2 .]" 1
217 1 15 LYS H 1 16 LEU H 2.608 . 3.458 2.388 2.317 2.520 . 0 0 "[ . 1 . 2 .]" 1
218 1 15 LYS HA 1 15 LYS HB2 2.200 . 2.805 2.965 2.503 2.992 0.187 21 0 "[ . 1 . 2 .]" 1
219 1 15 LYS HA 1 15 LYS QB 2.038 . 2.557 2.283 2.158 2.313 . 0 0 "[ . 1 . 2 .]" 1
220 1 15 LYS HA 1 15 LYS QG 2.363 . 3.061 2.609 2.432 3.188 0.127 10 0 "[ . 1 . 2 .]" 1
221 1 15 LYS HA 1 18 GLU HG2 2.621 . 3.480 2.260 1.694 2.903 0.068 1 0 "[ . 1 . 2 .]" 1
222 1 15 LYS QB 1 16 LEU H 2.671 . 3.563 2.633 2.369 3.357 . 0 0 "[ . 1 . 2 .]" 1
223 1 15 LYS QB 1 16 LEU H 2.450 . 3.200 2.222 2.122 2.377 . 0 0 "[ . 1 . 2 .]" 1
224 1 15 LYS HB2 1 15 LYS QG 2.139 . 2.711 2.294 2.132 2.415 . 0 0 "[ . 1 . 2 .]" 1
225 1 15 LYS HB2 1 16 LEU H 2.451 . 3.202 2.688 2.398 3.644 0.442 10 0 "[ . 1 . 2 .]" 1
226 1 15 LYS QG 1 16 LEU H 3.027 . 3.760 3.632 1.758 3.845 0.124 10 0 "[ . 1 . 2 .]" 1
227 1 16 LEU H 1 16 LEU HA 2.503 . 3.286 2.788 2.751 2.826 . 0 0 "[ . 1 . 2 .]" 1
228 1 16 LEU H 1 16 LEU HB2 2.421 . 3.154 1.964 1.928 1.996 . 0 0 "[ . 1 . 2 .]" 1
229 1 16 LEU H 1 16 LEU HB3 2.948 . 4.035 3.216 3.185 3.266 . 0 0 "[ . 1 . 2 .]" 1
230 1 16 LEU H 1 16 LEU QD 2.793 . 3.768 3.039 3.001 3.064 . 0 0 "[ . 1 . 2 .]" 1
231 1 16 LEU H 1 16 LEU QD 2.642 . 3.515 2.873 2.843 2.894 . 0 0 "[ . 1 . 2 .]" 1
232 1 16 LEU H 1 16 LEU QD 2.523 . 3.319 2.622 2.552 2.683 . 0 0 "[ . 1 . 2 .]" 1
233 1 16 LEU H 1 16 LEU HG 2.643 . 3.516 3.418 3.300 3.467 . 0 0 "[ . 1 . 2 .]" 1
234 1 16 LEU H 1 59 LEU QD 3.017 . 4.154 3.856 3.779 3.917 . 0 0 "[ . 1 . 2 .]" 1
235 1 16 LEU HA 1 16 LEU HB2 2.963 . 4.061 2.842 2.817 2.864 . 0 0 "[ . 1 . 2 .]" 1
236 1 16 LEU HA 1 16 LEU HB3 2.933 . 4.008 2.836 2.802 2.855 . 0 0 "[ . 1 . 2 .]" 1
237 1 16 LEU HA 1 16 LEU QD 1.950 . 2.425 2.263 2.137 2.386 . 0 0 "[ . 1 . 2 .]" 1
238 1 16 LEU HA 1 16 LEU QD 2.353 . 3.045 2.226 2.103 2.343 . 0 0 "[ . 1 . 2 .]" 1
239 1 16 LEU HA 1 16 LEU HG 2.916 . 3.979 2.281 2.203 2.326 . 0 0 "[ . 1 . 2 .]" 1
240 1 16 LEU HA 1 17 PHE H 2.496 . 3.275 2.659 2.644 2.673 . 0 0 "[ . 1 . 2 .]" 1
241 1 16 LEU HA 1 18 GLU H 2.629 . 3.493 3.405 3.369 3.442 . 0 0 "[ . 1 . 2 .]" 1
242 1 16 LEU HA 1 19 GLU H 2.665 . 3.553 3.266 3.144 3.362 . 0 0 "[ . 1 . 2 .]" 1
243 1 16 LEU HA 1 19 GLU HG3 2.520 . 3.314 2.338 1.814 2.797 . 0 0 "[ . 1 . 2 .]" 1
244 1 16 LEU HB2 1 16 LEU QD 2.713 . 3.605 2.192 2.172 2.227 . 0 0 "[ . 1 . 2 .]" 1
245 1 16 LEU HB2 1 16 LEU QD 1.937 . 2.406 1.785 1.780 1.792 . 0 0 "[ . 1 . 2 .]" 1
246 1 16 LEU HB2 1 60 SER H 3.330 . 4.716 4.134 4.060 4.225 . 0 0 "[ . 1 . 2 .]" 1
247 1 16 LEU HB2 1 17 PHE H 2.399 . 3.119 2.894 2.781 2.998 . 0 0 "[ . 1 . 2 .]" 1
248 1 16 LEU HB2 1 59 LEU QD 2.512 . 3.300 2.665 2.554 2.739 . 0 0 "[ . 1 . 2 .]" 1
249 1 16 LEU HB3 1 16 LEU QD 2.418 . 2.997 2.050 2.028 2.067 . 0 0 "[ . 1 . 2 .]" 1
250 1 16 LEU HB3 1 17 PHE H 3.367 . 4.784 2.498 2.437 2.588 . 0 0 "[ . 1 . 2 .]" 1
251 1 16 LEU HB3 1 59 LEU QD 2.663 . 3.549 1.676 1.649 1.698 0.128 13 0 "[ . 1 . 2 .]" 1
252 1 16 LEU QD 1 16 LEU HG 2.119 . 2.400 1.890 1.887 1.895 . 0 0 "[ . 1 . 2 .]" 1
253 1 16 LEU QD 1 17 PHE H 2.777 . 3.741 3.664 3.634 3.715 . 0 0 "[ . 1 . 2 .]" 1
254 1 16 LEU QD 1 19 GLU H 3.101 . 4.303 4.385 4.314 4.464 0.161 14 0 "[ . 1 . 2 .]" 1
255 1 16 LEU QD 1 19 GLU HB2 2.737 . 3.673 3.170 2.913 3.439 . 0 0 "[ . 1 . 2 .]" 1
256 1 16 LEU QD 1 19 GLU HG3 2.848 . 3.862 3.199 2.458 3.458 . 0 0 "[ . 1 . 2 .]" 1
257 1 16 LEU QD 1 20 PHE QB 3.000 . 4.125 2.855 2.712 3.019 . 0 0 "[ . 1 . 2 .]" 1
258 1 16 LEU QD 1 56 CYS HA 2.612 . 3.465 2.465 2.314 2.617 . 0 0 "[ . 1 . 2 .]" 1
259 1 16 LEU QD 1 56 CYS HA 2.806 . 3.790 2.587 2.382 2.803 . 0 0 "[ . 1 . 2 .]" 1
260 1 16 LEU QD 1 59 LEU HB2 2.818 . 3.811 2.319 2.212 2.421 . 0 0 "[ . 1 . 2 .]" 1
261 1 16 LEU QD 1 60 SER H 2.781 . 3.748 2.555 2.424 2.659 . 0 0 "[ . 1 . 2 .]" 1
262 1 16 LEU QD 1 59 LEU QD 2.388 . 2.810 2.334 2.260 2.404 . 0 0 "[ . 1 . 2 .]" 1
263 1 16 LEU QD 1 60 SER H 2.941 . 4.022 2.758 2.561 2.925 . 0 0 "[ . 1 . 2 .]" 1
264 1 16 LEU QD 1 60 SER HA 2.677 . 3.573 2.324 2.022 2.556 . 0 0 "[ . 1 . 2 .]" 1
265 1 16 LEU QD 1 60 SER HB2 2.784 . 3.753 3.247 2.240 3.906 0.153 20 0 "[ . 1 . 2 .]" 1
266 1 16 LEU QD 1 64 SER H 3.081 . 4.268 4.042 3.900 4.152 . 0 0 "[ . 1 . 2 .]" 1
267 1 16 LEU QD 1 63 LEU QB 2.473 . 3.237 3.024 2.879 3.235 . 0 0 "[ . 1 . 2 .]" 1
268 1 16 LEU HG 1 59 LEU QD 3.013 . 4.148 4.051 4.015 4.085 . 0 0 "[ . 1 . 2 .]" 1
269 1 17 PHE H 1 17 PHE HA 2.709 . 3.626 2.747 2.728 2.763 . 0 0 "[ . 1 . 2 .]" 1
270 1 17 PHE H 1 17 PHE HB2 2.455 . 3.208 2.171 2.128 2.200 . 0 0 "[ . 1 . 2 .]" 1
271 1 17 PHE H 1 17 PHE QB 2.917 . 3.980 2.117 2.079 2.143 . 0 0 "[ . 1 . 2 .]" 1
272 1 17 PHE H 1 17 PHE QD 2.884 . 3.924 3.837 3.805 3.870 . 0 0 "[ . 1 . 2 .]" 1
273 1 17 PHE H 1 18 GLU H 2.603 . 3.450 2.851 2.784 2.897 . 0 0 "[ . 1 . 2 .]" 1
274 1 17 PHE H 1 59 LEU QD 2.280 . 2.930 2.392 2.275 2.472 . 0 0 "[ . 1 . 2 .]" 1
275 1 17 PHE H 1 59 LEU QD 2.368 . 3.069 2.464 2.324 2.564 . 0 0 "[ . 1 . 2 .]" 1
276 1 17 PHE HA 1 17 PHE QB 2.409 . 3.134 2.476 2.463 2.487 . 0 0 "[ . 1 . 2 .]" 1
277 1 17 PHE HA 1 17 PHE QD 2.425 . 3.160 2.945 2.857 2.975 . 0 0 "[ . 1 . 2 .]" 1
278 1 17 PHE HA 1 18 GLU H 2.786 . 3.756 3.396 3.355 3.449 . 0 0 "[ . 1 . 2 .]" 1
279 1 17 PHE HA 1 20 PHE H 2.650 . 3.528 2.711 2.673 2.740 . 0 0 "[ . 1 . 2 .]" 1
280 1 17 PHE HA 1 59 LEU QD 2.541 . 2.855 1.849 1.755 1.970 . 0 0 "[ . 1 . 2 .]" 1
281 1 17 PHE HA 1 59 LEU HG 2.428 . 3.165 3.452 3.388 3.507 0.342 24 0 "[ . 1 . 2 .]" 1
282 1 17 PHE HA 1 80 LEU MD2 2.418 . 3.149 3.061 2.938 3.222 0.073 13 0 "[ . 1 . 2 .]" 1
283 1 17 PHE QB 1 17 PHE QE 3.019 . 4.158 3.306 3.268 3.381 . 0 0 "[ . 1 . 2 .]" 1
284 1 17 PHE QB 1 18 GLU H 2.703 . 3.617 2.572 2.503 2.651 . 0 0 "[ . 1 . 2 .]" 1
285 1 17 PHE QB 1 59 LEU QD 2.640 . 3.511 2.463 2.318 2.578 . 0 0 "[ . 1 . 2 .]" 1
286 1 17 PHE HB2 1 17 PHE QD 2.355 . 3.048 2.305 2.283 2.344 . 0 0 "[ . 1 . 2 .]" 1
287 1 17 PHE HB2 1 17 PHE QE 2.554 . 3.369 3.469 3.417 3.565 0.196 14 0 "[ . 1 . 2 .]" 1
288 1 17 PHE HB2 1 59 LEU QD 2.922 . 3.989 2.506 2.350 2.631 . 0 0 "[ . 1 . 2 .]" 1
289 1 17 PHE QD 1 18 GLU H 3.091 . 4.285 4.065 4.015 4.115 . 0 0 "[ . 1 . 2 .]" 1
290 1 17 PHE QD 1 18 GLU H 2.915 . 3.977 4.021 3.983 4.067 0.090 25 0 "[ . 1 . 2 .]" 1
291 1 17 PHE QD 1 20 PHE H 3.221 . 4.518 4.434 4.356 4.523 0.005 8 0 "[ . 1 . 2 .]" 1
292 1 17 PHE QD 1 21 LEU HG 3.638 . 5.292 2.731 2.490 2.944 . 0 0 "[ . 1 . 2 .]" 1
293 1 17 PHE QD 1 63 LEU MD2 2.873 . 3.905 3.965 3.914 4.062 0.157 20 0 "[ . 1 . 2 .]" 1
294 1 17 PHE QD 1 38 LEU MD1 2.907 . 3.963 3.217 2.751 3.427 . 0 0 "[ . 1 . 2 .]" 1
295 1 17 PHE QD 1 42 GLN QE 2.713 . 3.633 3.060 2.475 3.522 . 0 0 "[ . 1 . 2 .]" 1
296 1 17 PHE QD 1 42 GLN QE 3.027 . 4.173 3.459 2.514 4.222 0.049 8 0 "[ . 1 . 2 .]" 1
297 1 17 PHE QD 1 55 PHE HZ 2.592 . 3.432 2.237 2.100 2.446 . 0 0 "[ . 1 . 2 .]" 1
298 1 17 PHE QD 1 59 LEU QD 2.203 . 2.810 1.853 1.783 1.936 0.061 3 0 "[ . 1 . 2 .]" 1
299 1 17 PHE QD 1 80 LEU QD 2.448 . 3.197 2.807 2.729 2.893 . 0 0 "[ . 1 . 2 .]" 1
300 1 17 PHE QD 1 80 LEU MD1 2.939 . 4.019 3.003 2.878 3.127 . 0 0 "[ . 1 . 2 .]" 1
301 1 17 PHE QE 1 20 PHE QB 3.016 . 4.153 3.560 3.250 3.661 . 0 0 "[ . 1 . 2 .]" 1
302 1 17 PHE QE 1 21 LEU MD1 2.152 . 2.731 2.271 2.061 2.437 . 0 0 "[ . 1 . 2 .]" 1
303 1 17 PHE QE 1 21 LEU MD2 2.078 . 2.618 2.499 2.293 2.626 0.008 24 0 "[ . 1 . 2 .]" 1
304 1 17 PHE QE 1 21 LEU HG 3.004 . 4.132 2.960 2.901 3.062 . 0 0 "[ . 1 . 2 .]" 1
305 1 17 PHE QE 1 38 LEU HB3 2.936 . 4.013 1.788 1.725 1.824 0.134 8 0 "[ . 1 . 2 .]" 1
306 1 17 PHE QE 1 38 LEU QD 2.268 . 2.911 3.037 3.004 3.076 0.165 25 0 "[ . 1 . 2 .]" 1
307 1 17 PHE QE 1 38 LEU QD 2.606 . 3.455 2.878 2.627 2.974 . 0 0 "[ . 1 . 2 .]" 1
308 1 17 PHE QE 1 38 LEU HG 2.945 . 4.029 3.910 3.497 4.033 0.004 6 0 "[ . 1 . 2 .]" 1
309 1 17 PHE QE 1 39 TYR HA 2.893 . 3.939 3.453 3.193 3.674 . 0 0 "[ . 1 . 2 .]" 1
310 1 17 PHE QE 1 42 GLN HB2 2.967 . 4.068 3.292 3.114 3.496 . 0 0 "[ . 1 . 2 .]" 1
311 1 17 PHE QE 1 42 GLN HB3 2.942 . 4.024 3.798 3.668 3.999 . 0 0 "[ . 1 . 2 .]" 1
312 1 17 PHE QE 1 41 ARG H 3.210 . 4.498 4.434 4.364 4.565 0.067 21 0 "[ . 1 . 2 .]" 1
313 1 17 PHE QE 1 42 GLN QE 3.042 . 4.199 2.691 1.940 3.595 . 0 0 "[ . 1 . 2 .]" 1
314 1 17 PHE QE 1 42 GLN HG2 3.036 . 4.188 3.917 3.032 4.309 0.121 2 0 "[ . 1 . 2 .]" 1
315 1 17 PHE QE 1 42 GLN HG3 2.884 . 3.924 3.137 2.580 3.697 . 0 0 "[ . 1 . 2 .]" 1
316 1 17 PHE QE 1 80 LEU MD2 2.206 . 2.814 2.405 2.273 2.529 . 0 0 "[ . 1 . 2 .]" 1
317 1 17 PHE QE 1 80 LEU MD2 2.309 . 2.975 1.976 1.846 2.076 . 0 0 "[ . 1 . 2 .]" 1
318 1 17 PHE QE 1 84 LEU MD2 2.358 . 3.053 2.083 1.889 2.244 . 0 0 "[ . 1 . 2 .]" 1
319 1 17 PHE QE 1 59 LEU QD 2.934 . 3.101 3.044 3.027 3.067 . 0 0 "[ . 1 . 2 .]" 1
320 1 17 PHE HZ 1 84 LEU MD2 2.754 . 3.702 3.243 3.094 3.364 . 0 0 "[ . 1 . 2 .]" 1
321 1 17 PHE HZ 1 77 ILE HG12 3.373 . 4.795 4.660 4.625 4.696 . 0 0 "[ . 1 . 2 .]" 1
322 1 17 PHE HZ 1 84 LEU MD1 3.721 . 5.451 2.210 1.964 2.564 0.027 20 0 "[ . 1 . 2 .]" 1
323 1 18 GLU H 1 18 GLU HA 2.251 . 2.884 2.825 2.780 2.854 . 0 0 "[ . 1 . 2 .]" 1
324 1 18 GLU H 1 18 GLU QB 2.170 . 2.759 2.664 2.567 2.714 . 0 0 "[ . 1 . 2 .]" 1
325 1 18 GLU H 1 18 GLU HG2 2.400 . 3.120 1.986 1.607 3.150 0.073 9 0 "[ . 1 . 2 .]" 1
326 1 18 GLU H 1 18 GLU HG3 2.355 . 3.048 3.040 2.038 3.214 0.166 1 0 "[ . 1 . 2 .]" 1
327 1 18 GLU H 1 19 GLU H 2.485 . 3.257 2.646 2.538 2.772 . 0 0 "[ . 1 . 2 .]" 1
328 1 18 GLU H 1 21 LEU MD1 2.890 . 3.934 3.854 3.699 3.955 0.021 16 0 "[ . 1 . 2 .]" 1
329 1 18 GLU H 1 59 LEU QD 2.617 . 3.473 3.494 3.422 3.568 0.095 19 0 "[ . 1 . 2 .]" 1
330 1 18 GLU H 1 59 LEU QD 3.316 . 4.691 4.260 4.187 4.320 . 0 0 "[ . 1 . 2 .]" 1
331 1 18 GLU HA 1 18 GLU QB 2.086 . 2.630 1.491 1.464 1.520 0.078 10 0 "[ . 1 . 2 .]" 1
332 1 18 GLU HA 1 22 GLU H 2.486 . 3.259 3.236 3.151 3.296 0.037 10 0 "[ . 1 . 2 .]" 1
333 1 18 GLU HA 1 21 LEU H 2.621 . 3.480 2.883 2.545 3.302 . 0 0 "[ . 1 . 2 .]" 1
334 1 18 GLU HA 1 21 LEU QB 2.428 . 3.165 2.095 1.797 2.348 . 0 0 "[ . 1 . 2 .]" 1
335 1 18 GLU HA 1 21 LEU QB 2.555 . 3.371 2.066 1.778 2.323 . 0 0 "[ . 1 . 2 .]" 1
336 1 18 GLU HA 1 21 LEU MD1 2.287 . 2.941 2.444 2.211 2.680 . 0 0 "[ . 1 . 2 .]" 1
337 1 18 GLU HA 1 35 VAL QG 2.615 . 3.470 2.653 2.628 2.683 . 0 0 "[ . 1 . 2 .]" 1
338 1 18 GLU QB 1 18 GLU HG3 1.864 . 2.298 2.295 2.088 2.438 0.140 13 0 "[ . 1 . 2 .]" 1
339 1 18 GLU QB 1 18 GLU HG3 2.154 . 2.734 2.046 1.934 2.123 . 0 0 "[ . 1 . 2 .]" 1
340 1 18 GLU HG2 1 19 GLU H 2.905 . 3.960 3.358 2.981 4.102 0.142 13 0 "[ . 1 . 2 .]" 1
341 1 18 GLU HG3 1 19 GLU H 2.596 . 3.438 3.057 2.413 4.232 0.794 15 6 "[ - *. *1 *+ 2 * .]" 1
342 1 19 GLU H 1 19 GLU HA 2.220 . 2.836 2.797 2.772 2.824 . 0 0 "[ . 1 . 2 .]" 1
343 1 19 GLU H 1 19 GLU HB2 2.255 . 2.891 2.571 2.331 2.818 . 0 0 "[ . 1 . 2 .]" 1
344 1 19 GLU H 1 19 GLU HG2 2.307 . 2.972 2.740 1.878 3.258 0.286 16 0 "[ . 1 . 2 .]" 1
345 1 19 GLU H 1 19 GLU HG3 2.360 . 3.056 2.589 2.023 3.295 0.239 18 0 "[ . 1 . 2 .]" 1
346 1 19 GLU H 1 20 PHE H 2.590 . 3.429 2.669 2.544 2.857 . 0 0 "[ . 1 . 2 .]" 1
347 1 19 GLU H 1 20 PHE QB 3.330 . 4.716 4.356 4.216 4.594 . 0 0 "[ . 1 . 2 .]" 1
348 1 19 GLU H 1 63 LEU QD 2.973 . 4.078 3.740 3.469 3.924 . 0 0 "[ . 1 . 2 .]" 1
349 1 19 GLU HA 1 19 GLU HB3 1.897 . 2.347 2.227 2.104 2.324 . 0 0 "[ . 1 . 2 .]" 1
350 1 19 GLU HA 1 19 GLU HG2 2.307 . 2.972 2.562 2.248 2.900 . 0 0 "[ . 1 . 2 .]" 1
351 1 19 GLU HB2 1 19 GLU HG3 2.096 . 2.645 2.309 2.203 2.394 . 0 0 "[ . 1 . 2 .]" 1
352 1 19 GLU HB2 1 20 PHE H 2.853 . 3.870 2.574 2.228 2.752 . 0 0 "[ . 1 . 2 .]" 1
353 1 19 GLU HB2 1 20 PHE H 2.431 . 3.170 2.190 2.039 2.377 . 0 0 "[ . 1 . 2 .]" 1
354 1 19 GLU HB2 1 63 LEU MD2 2.135 . 2.705 1.708 1.626 1.791 . 0 0 "[ . 1 . 2 .]" 1
355 1 19 GLU HB2 1 63 LEU MD2 2.465 . 3.225 1.962 1.774 2.212 . 0 0 "[ . 1 . 2 .]" 1
356 1 19 GLU HB3 1 20 PHE H 2.770 . 3.729 3.510 3.268 3.706 . 0 0 "[ . 1 . 2 .]" 1
357 1 19 GLU HB3 1 63 LEU QD 2.353 . 3.045 2.350 2.102 2.498 . 0 0 "[ . 1 . 2 .]" 1
358 1 19 GLU HB3 1 63 LEU MD2 2.218 . 2.833 2.653 2.443 2.825 . 0 0 "[ . 1 . 2 .]" 1
359 1 19 GLU HG3 1 63 LEU MD2 2.537 . 3.342 3.401 3.079 3.607 0.265 25 0 "[ . 1 . 2 .]" 1
360 1 20 PHE H 1 20 PHE HA 2.375 . 3.080 2.840 2.785 2.873 . 0 0 "[ . 1 . 2 .]" 1
361 1 20 PHE H 1 20 PHE QB 2.196 . 2.799 2.102 2.048 2.163 . 0 0 "[ . 1 . 2 .]" 1
362 1 20 PHE H 1 20 PHE HB3 2.382 . 3.091 2.588 2.524 2.670 . 0 0 "[ . 1 . 2 .]" 1
363 1 20 PHE H 1 21 LEU H 2.660 . 3.544 2.587 2.488 2.713 . 0 0 "[ . 1 . 2 .]" 1
364 1 20 PHE H 1 59 LEU QD 2.503 . 3.286 3.246 3.200 3.274 . 0 0 "[ . 1 . 2 .]" 1
365 1 20 PHE H 1 63 LEU QD 2.602 . 3.448 2.624 2.454 2.784 . 0 0 "[ . 1 . 2 .]" 1
366 1 20 PHE HA 1 20 PHE HB3 2.374 . 3.078 3.016 3.012 3.022 . 0 0 "[ . 1 . 2 .]" 1
367 1 20 PHE HA 1 20 PHE HD1 2.391 . 3.106 3.286 3.243 3.329 0.223 21 0 "[ . 1 . 2 .]" 1
368 1 20 PHE HA 1 20 PHE QD 2.563 . 3.384 3.080 3.059 3.104 . 0 0 "[ . 1 . 2 .]" 1
369 1 20 PHE HA 1 23 LEU HB3 2.184 . 2.780 2.477 2.386 2.598 . 0 0 "[ . 1 . 2 .]" 1
370 1 20 PHE HA 1 24 CYS H 2.748 . 3.692 3.365 3.337 3.399 . 0 0 "[ . 1 . 2 .]" 1
371 1 20 PHE HA 1 23 LEU QB 2.380 . 3.088 2.503 2.404 2.627 . 0 0 "[ . 1 . 2 .]" 1
372 1 20 PHE HA 1 23 LEU MD2 2.023 . 2.535 2.551 2.416 2.655 0.120 10 0 "[ . 1 . 2 .]" 1
373 1 20 PHE HA 1 63 LEU MD1 2.293 . 2.950 1.952 1.770 2.260 . 0 0 "[ . 1 . 2 .]" 1
374 1 20 PHE QB 1 20 PHE QE 2.707 . 3.623 3.210 3.057 3.333 . 0 0 "[ . 1 . 2 .]" 1
375 1 20 PHE QB 1 21 LEU H 2.701 . 3.613 2.449 2.304 2.558 . 0 0 "[ . 1 . 2 .]" 1
376 1 20 PHE QB 1 21 LEU MD1 2.778 . 3.743 3.746 3.589 3.978 0.235 25 0 "[ . 1 . 2 .]" 1
377 1 20 PHE QB 1 21 LEU MD2 2.516 . 3.307 2.978 2.874 3.416 0.109 16 0 "[ . 1 . 2 .]" 1
378 1 20 PHE QB 1 22 GLU H 2.520 . 3.314 3.439 3.424 3.480 0.166 2 0 "[ . 1 . 2 .]" 1
379 1 20 PHE QB 1 38 LEU MD1 2.681 . 3.579 3.025 2.927 3.105 . 0 0 "[ . 1 . 2 .]" 1
380 1 20 PHE QB 1 80 LEU MD2 2.837 . 3.843 2.787 2.664 2.932 . 0 0 "[ . 1 . 2 .]" 1
381 1 20 PHE QB 1 63 LEU QD 2.287 . 2.941 2.473 2.352 2.646 . 0 0 "[ . 1 . 2 .]" 1
382 1 20 PHE HB3 1 20 PHE HD1 2.492 . 3.268 2.724 2.681 2.768 . 0 0 "[ . 1 . 2 .]" 1
383 1 20 PHE HB3 1 21 LEU H 3.112 . 4.322 2.485 2.332 2.602 . 0 0 "[ . 1 . 2 .]" 1
384 1 20 PHE QD 1 22 GLU H 3.359 . 4.769 4.283 4.190 4.375 . 0 0 "[ . 1 . 2 .]" 1
385 1 20 PHE QD 1 23 LEU MD2 2.425 . 3.160 3.277 3.200 3.336 0.176 18 0 "[ . 1 . 2 .]" 1
386 1 20 PHE QD 1 38 LEU QD 2.239 . 2.866 2.923 2.866 2.962 0.096 8 0 "[ . 1 . 2 .]" 1
387 1 20 PHE QD 1 77 ILE HG12 3.087 . 4.278 3.222 3.013 3.417 . 0 0 "[ . 1 . 2 .]" 1
388 1 20 PHE QD 1 21 LEU H 3.290 . 4.643 3.513 3.399 3.634 . 0 0 "[ . 1 . 2 .]" 1
389 1 20 PHE QD 1 21 LEU MD2 2.335 . 3.016 3.013 2.943 3.063 0.047 3 0 "[ . 1 . 2 .]" 1
390 1 20 PHE QD 1 38 LEU QD 2.586 . 3.422 3.032 2.956 3.083 . 0 0 "[ . 1 . 2 .]" 1
391 1 20 PHE QD 1 62 VAL MG2 2.409 . 3.134 2.383 2.238 2.540 . 0 0 "[ . 1 . 2 .]" 1
392 1 20 PHE QD 1 62 VAL MG2 2.444 . 3.191 2.263 2.166 2.340 . 0 0 "[ . 1 . 2 .]" 1
393 1 20 PHE QD 1 63 LEU HA 2.674 . 3.567 1.897 1.721 2.062 0.060 20 0 "[ . 1 . 2 .]" 1
394 1 20 PHE QD 1 63 LEU HB3 2.819 . 3.812 3.132 3.022 3.288 . 0 0 "[ . 1 . 2 .]" 1
395 1 20 PHE QD 1 63 LEU QD 2.363 . 3.061 3.183 3.112 3.328 0.267 1 0 "[ . 1 . 2 .]" 1
396 1 20 PHE QD 1 63 LEU HG 2.632 . 3.498 3.591 3.540 3.630 0.132 25 0 "[ . 1 . 2 .]" 1
397 1 20 PHE QD 1 66 ALA H 3.042 . 4.199 3.940 3.792 4.160 . 0 0 "[ . 1 . 2 .]" 1
398 1 20 PHE QD 1 67 ARG H 3.330 . 4.716 4.753 4.699 4.832 0.116 21 0 "[ . 1 . 2 .]" 1
399 1 20 PHE QD 1 80 LEU MD2 2.409 . 3.134 2.845 2.649 3.061 . 0 0 "[ . 1 . 2 .]" 1
400 1 20 PHE HD1 1 21 LEU QB 2.767 . 3.724 3.730 3.707 3.759 0.035 22 0 "[ . 1 . 2 .]" 1
401 1 20 PHE HD1 1 21 LEU MD2 2.621 . 3.480 3.021 2.950 3.070 . 0 0 "[ . 1 . 2 .]" 1
402 1 20 PHE QE 1 73 LEU MD2 2.807 . 3.792 3.592 3.241 3.734 . 0 0 "[ . 1 . 2 .]" 1
403 1 20 PHE QE 1 38 LEU QD 2.216 . 2.830 2.840 2.811 2.874 0.044 20 0 "[ . 1 . 2 .]" 1
404 1 20 PHE QE 1 80 LEU MD2 2.360 . 3.056 3.097 3.035 3.166 0.110 19 0 "[ . 1 . 2 .]" 1
405 1 20 PHE QE 1 62 VAL MG2 2.366 . 3.066 2.391 2.224 2.554 . 0 0 "[ . 1 . 2 .]" 1
406 1 20 PHE QE 1 63 LEU QB 2.903 . 3.956 3.543 3.387 3.659 . 0 0 "[ . 1 . 2 .]" 1
407 1 20 PHE QE 1 73 LEU MD1 2.176 . 2.768 2.207 2.029 2.380 . 0 0 "[ . 1 . 2 .]" 1
408 1 20 PHE QE 1 73 LEU MD2 2.869 . 3.898 3.780 3.604 3.907 0.009 15 0 "[ . 1 . 2 .]" 1
409 1 20 PHE QE 1 77 ILE HA 2.824 . 3.821 3.477 3.298 3.621 . 0 0 "[ . 1 . 2 .]" 1
410 1 20 PHE QE 1 77 ILE MD 2.674 . 3.568 2.868 2.746 3.014 . 0 0 "[ . 1 . 2 .]" 1
411 1 20 PHE QE 1 77 ILE HG12 3.018 . 4.156 2.215 1.904 2.387 . 0 0 "[ . 1 . 2 .]" 1
412 1 20 PHE QE 1 77 ILE HG13 2.484 . 3.255 2.265 2.107 2.455 . 0 0 "[ . 1 . 2 .]" 1
413 1 20 PHE QE 1 77 ILE MG 2.689 . 3.593 3.356 3.220 3.515 . 0 0 "[ . 1 . 2 .]" 1
414 1 20 PHE HE1 1 24 CYS HB2 2.828 . 3.828 3.107 2.872 3.756 . 0 0 "[ . 1 . 2 .]" 1
415 1 20 PHE HE1 1 73 LEU MD1 2.580 . 3.412 2.219 2.036 2.402 . 0 0 "[ . 1 . 2 .]" 1
416 1 20 PHE HE1 1 77 ILE HA 3.094 . 4.290 3.633 3.429 3.818 . 0 0 "[ . 1 . 2 .]" 1
417 1 20 PHE HE1 1 77 ILE MD 2.640 . 3.511 2.876 2.752 3.024 . 0 0 "[ . 1 . 2 .]" 1
418 1 20 PHE HZ 1 62 VAL MG2 2.890 . 3.934 3.793 3.702 3.891 . 0 0 "[ . 1 . 2 .]" 1
419 1 20 PHE HZ 1 66 ALA MB 2.280 . 2.930 2.882 2.758 3.013 0.083 10 0 "[ . 1 . 2 .]" 1
420 1 20 PHE HZ 1 73 LEU HA 2.933 . 4.008 3.331 3.141 3.481 . 0 0 "[ . 1 . 2 .]" 1
421 1 20 PHE HZ 1 73 LEU MD1 2.254 . 2.889 2.632 2.497 2.781 . 0 0 "[ . 1 . 2 .]" 1
422 1 20 PHE HZ 1 77 ILE MD 2.455 . 3.208 3.204 3.160 3.258 0.050 25 0 "[ . 1 . 2 .]" 1
423 1 20 PHE HZ 1 77 ILE H 3.008 . 4.139 2.608 2.362 2.887 . 0 0 "[ . 1 . 2 .]" 1
424 1 20 PHE HZ 1 77 ILE HA 2.707 . 3.623 3.037 2.821 3.183 . 0 0 "[ . 1 . 2 .]" 1
425 1 20 PHE HZ 1 77 ILE MD 2.922 . 3.989 3.698 3.580 3.808 . 0 0 "[ . 1 . 2 .]" 1
426 1 20 PHE HZ 1 77 ILE HG13 2.803 . 3.785 2.104 1.995 2.256 . 0 0 "[ . 1 . 2 .]" 1
427 1 21 LEU H 1 21 LEU HA 2.780 . 3.746 2.819 2.795 2.846 . 0 0 "[ . 1 . 2 .]" 1
428 1 21 LEU H 1 21 LEU QB 2.582 . 3.348 2.238 2.208 2.282 . 0 0 "[ . 1 . 2 .]" 1
429 1 21 LEU H 1 21 LEU MD1 2.637 . 3.506 3.571 3.509 3.644 0.138 10 0 "[ . 1 . 2 .]" 1
430 1 21 LEU H 1 21 LEU MD2 2.377 . 3.083 3.379 3.304 3.465 0.382 7 0 "[ . 1 . 2 .]" 1
431 1 21 LEU H 1 21 LEU HG 2.582 . 3.416 2.378 2.317 2.484 . 0 0 "[ . 1 . 2 .]" 1
432 1 21 LEU H 1 22 GLU H 2.646 . 3.521 2.630 2.526 2.745 . 0 0 "[ . 1 . 2 .]" 1
433 1 21 LEU H 1 22 GLU QG 3.010 . 4.143 4.043 3.975 4.133 . 0 0 "[ . 1 . 2 .]" 1
434 1 21 LEU H 1 35 VAL QG 3.205 . 4.489 3.997 3.922 4.061 . 0 0 "[ . 1 . 2 .]" 1
435 1 21 LEU H 1 38 LEU MD1 3.024 . 4.167 3.110 2.960 3.253 . 0 0 "[ . 1 . 2 .]" 1
436 1 21 LEU HA 1 21 LEU QB 2.403 . 3.125 2.396 2.377 2.411 . 0 0 "[ . 1 . 2 .]" 1
437 1 21 LEU HA 1 21 LEU MD2 1.995 . 2.493 1.677 1.607 1.740 . 0 0 "[ . 1 . 2 .]" 1
438 1 21 LEU HA 1 21 LEU HG 2.524 . 3.320 2.934 2.827 3.002 . 0 0 "[ . 1 . 2 .]" 1
439 1 21 LEU HA 1 24 CYS H 2.944 . 4.028 2.944 2.888 3.071 . 0 0 "[ . 1 . 2 .]" 1
440 1 21 LEU HA 1 24 CYS HB2 2.600 . 3.445 2.589 2.324 3.653 0.208 16 0 "[ . 1 . 2 .]" 1
441 1 21 LEU HA 1 24 CYS HB3 2.750 . 3.695 2.360 2.153 3.380 . 0 0 "[ . 1 . 2 .]" 1
442 1 21 LEU HA 1 35 VAL QG 2.266 . 2.908 2.703 2.640 2.747 . 0 0 "[ . 1 . 2 .]" 1
443 1 21 LEU HA 1 35 VAL QG 2.316 . 2.986 2.612 2.562 2.642 . 0 0 "[ . 1 . 2 .]" 1
444 1 21 LEU HA 1 38 LEU QD 2.797 . 3.775 3.590 3.420 3.678 . 0 0 "[ . 1 . 2 .]" 1
445 1 21 LEU QB 1 21 LEU MD1 2.495 . 3.237 2.054 2.044 2.078 . 0 0 "[ . 1 . 2 .]" 1
446 1 21 LEU QB 1 21 LEU MD2 2.636 . 3.307 2.302 2.273 2.336 . 0 0 "[ . 1 . 2 .]" 1
447 1 21 LEU QB 1 21 LEU MD2 2.237 . 2.863 2.289 2.236 2.327 . 0 0 "[ . 1 . 2 .]" 1
448 1 21 LEU QB 1 22 GLU H 2.751 . 3.697 2.444 2.387 2.525 . 0 0 "[ . 1 . 2 .]" 1
449 1 21 LEU QB 1 22 GLU H 2.825 . 3.636 2.456 2.397 2.539 . 0 0 "[ . 1 . 2 .]" 1
450 1 21 LEU QB 1 22 GLU H 2.385 . 3.096 2.051 1.980 2.161 . 0 0 "[ . 1 . 2 .]" 1
451 1 21 LEU QB 1 22 GLU QG 2.355 . 3.048 2.946 2.906 2.999 . 0 0 "[ . 1 . 2 .]" 1
452 1 21 LEU QB 1 22 GLU QG 2.594 . 3.435 2.931 2.895 2.973 . 0 0 "[ . 1 . 2 .]" 1
453 1 21 LEU QB 1 25 LYS H 2.993 . 4.113 3.734 1.992 3.906 . 0 0 "[ . 1 . 2 .]" 1
454 1 21 LEU QB 1 25 LYS QE . . 2.033 2.813 2.459 3.912 1.879 7 19 "[******+****** * * *2 -**]" 1
455 1 21 LEU QB 1 35 VAL QG 2.516 . 3.307 1.871 1.746 2.023 . 0 0 "[ . 1 . 2 .]" 1
456 1 21 LEU MD1 1 21 LEU HG 2.198 . 2.802 2.112 2.101 2.117 . 0 0 "[ . 1 . 2 .]" 1
457 1 21 LEU MD1 1 22 GLU QG 3.007 . 4.138 4.338 4.272 4.375 0.237 22 0 "[ . 1 . 2 .]" 1
458 1 21 LEU MD1 1 39 TYR QB 2.731 . 3.663 3.014 2.037 3.545 . 0 0 "[ . 1 . 2 .]" 1
459 1 21 LEU MD1 1 35 VAL HA 2.697 . 3.606 3.740 3.707 3.775 0.169 16 0 "[ . 1 . 2 .]" 1
460 1 21 LEU MD1 1 39 TYR H 2.675 . 3.570 3.436 3.252 3.565 . 0 0 "[ . 1 . 2 .]" 1
461 1 21 LEU MD1 1 39 TYR HA 2.804 . 3.787 3.181 2.874 3.458 . 0 0 "[ . 1 . 2 .]" 1
462 1 21 LEU MD1 1 39 TYR HD2 2.465 . 3.225 2.919 2.681 3.208 . 0 0 "[ . 1 . 2 .]" 1
463 1 21 LEU MD1 1 39 TYR QE 2.409 . 3.134 2.557 2.401 2.682 . 0 0 "[ . 1 . 2 .]" 1
464 1 21 LEU MD1 1 39 TYR HE2 2.465 . 3.225 2.670 2.437 2.847 . 0 0 "[ . 1 . 2 .]" 1
465 1 21 LEU MD2 1 21 LEU HG 2.054 . 2.581 2.122 2.114 2.130 . 0 0 "[ . 1 . 2 .]" 1
466 1 21 LEU MD2 1 22 GLU H 2.894 . 3.941 3.268 3.183 3.346 . 0 0 "[ . 1 . 2 .]" 1
467 1 21 LEU MD2 1 24 CYS H 2.928 . 4.000 4.212 4.165 4.262 0.262 10 0 "[ . 1 . 2 .]" 1
468 1 21 LEU MD2 1 35 VAL H 2.998 . 4.121 4.141 4.102 4.219 0.098 16 0 "[ . 1 . 2 .]" 1
469 1 21 LEU MD2 1 35 VAL HA 2.434 . 3.175 1.842 1.754 1.921 . 0 0 "[ . 1 . 2 .]" 1
470 1 21 LEU MD2 1 38 LEU HB2 2.421 . 3.154 1.776 1.669 1.884 0.019 24 0 "[ . 1 . 2 .]" 1
471 1 21 LEU MD2 1 38 LEU HB3 2.283 . 2.934 2.460 2.239 2.574 . 0 0 "[ . 1 . 2 .]" 1
472 1 21 LEU MD2 1 38 LEU QD 1.965 . 2.448 1.902 1.786 1.996 . 0 0 "[ . 1 . 2 .]" 1
473 1 21 LEU MD2 1 39 TYR H 3.238 . 4.549 3.436 3.269 3.569 . 0 0 "[ . 1 . 2 .]" 1
474 1 21 LEU MD2 1 39 TYR QD 2.673 . 3.566 3.549 3.392 3.677 0.111 21 0 "[ . 1 . 2 .]" 1
475 1 21 LEU MD2 1 39 TYR QE 2.325 . 3.001 2.718 2.627 2.768 . 0 0 "[ . 1 . 2 .]" 1
476 1 21 LEU MD2 1 39 TYR HE2 2.782 . 3.750 3.758 3.596 3.854 0.104 23 0 "[ . 1 . 2 .]" 1
477 1 21 LEU HG 1 38 LEU QD 3.152 . 4.394 2.536 2.378 2.706 . 0 0 "[ . 1 . 2 .]" 1
478 1 22 GLU H 1 22 GLU HA 2.540 . 3.346 2.810 2.787 2.832 . 0 0 "[ . 1 . 2 .]" 1
479 1 22 GLU H 1 22 GLU HB2 2.183 . 2.779 2.483 2.383 2.616 . 0 0 "[ . 1 . 2 .]" 1
480 1 22 GLU H 1 22 GLU QB 2.146 . 2.722 2.438 2.348 2.555 . 0 0 "[ . 1 . 2 .]" 1
481 1 22 GLU H 1 22 GLU QG 2.011 . 2.517 2.017 1.886 2.138 . 0 0 "[ . 1 . 2 .]" 1
482 1 22 GLU H 1 23 LEU H 2.469 . 3.231 2.565 2.480 2.648 . 0 0 "[ . 1 . 2 .]" 1
483 1 22 GLU H 1 24 CYS H 3.213 . 4.503 3.877 3.770 4.023 . 0 0 "[ . 1 . 2 .]" 1
484 1 22 GLU HA 1 22 GLU QB 2.069 . 2.604 2.344 2.303 2.369 . 0 0 "[ . 1 . 2 .]" 1
485 1 22 GLU HA 1 22 GLU QB 2.164 . 2.750 2.083 2.040 2.102 . 0 0 "[ . 1 . 2 .]" 1
486 1 22 GLU HA 1 22 GLU QG 2.218 . 2.833 2.678 2.277 2.824 . 0 0 "[ . 1 . 2 .]" 1
487 1 22 GLU HA 1 23 LEU H 2.591 . 3.430 3.485 3.467 3.497 0.067 6 0 "[ . 1 . 2 .]" 1
488 1 22 GLU HA 1 25 LYS H 2.648 . 3.525 3.256 2.842 3.499 . 0 0 "[ . 1 . 2 .]" 1
489 1 22 GLU HA 1 25 LYS QB 2.243 . 2.872 2.311 2.168 2.613 . 0 0 "[ . 1 . 2 .]" 1
490 1 22 GLU HA 1 25 LYS QE 3.012 . 4.146 2.034 1.756 3.084 0.122 15 0 "[ . 1 . 2 .]" 1
491 1 22 GLU QB 1 22 GLU QG 1.575 . 1.885 1.789 1.745 1.861 . 0 0 "[ . 1 . 2 .]" 1
492 1 22 GLU QB 1 23 LEU H 2.490 . 3.265 2.741 2.682 2.840 . 0 0 "[ . 1 . 2 .]" 1
493 1 22 GLU QB 1 23 LEU H 2.534 . 3.337 2.610 1.713 2.723 0.018 20 0 "[ . 1 . 2 .]" 1
494 1 22 GLU QB 1 23 LEU MD2 2.832 . 3.835 3.830 3.265 3.938 0.103 10 0 "[ . 1 . 2 .]" 1
495 1 22 GLU QB 1 25 LYS QE 2.823 . 3.819 3.717 3.528 3.911 0.092 17 0 "[ . 1 . 2 .]" 1
496 1 22 GLU QG 1 25 LYS QE 2.762 . 3.716 3.200 2.024 3.680 . 0 0 "[ . 1 . 2 .]" 1
497 1 23 LEU H 1 23 LEU HA 2.276 . 2.924 2.841 2.815 2.857 . 0 0 "[ . 1 . 2 .]" 1
498 1 23 LEU H 1 23 LEU QB 2.160 . 2.743 2.123 2.108 2.141 . 0 0 "[ . 1 . 2 .]" 1
499 1 23 LEU H 1 23 LEU HB3 2.274 . 2.921 2.211 2.186 2.238 . 0 0 "[ . 1 . 2 .]" 1
500 1 23 LEU H 1 23 LEU MD2 2.746 . 3.688 3.884 3.827 3.921 0.233 17 0 "[ . 1 . 2 .]" 1
501 1 23 LEU H 1 24 CYS H 2.504 . 3.288 2.565 2.493 2.681 . 0 0 "[ . 1 . 2 .]" 1
502 1 23 LEU H 1 25 LYS H 3.344 . 4.742 4.037 3.916 4.132 . 0 0 "[ . 1 . 2 .]" 1
503 1 23 LEU HA 1 23 LEU QB 2.037 . 2.556 2.278 2.264 2.291 . 0 0 "[ . 1 . 2 .]" 1
504 1 23 LEU HA 1 23 LEU HG 2.266 . 2.908 2.931 2.862 2.992 0.084 3 0 "[ . 1 . 2 .]" 1
505 1 23 LEU HA 1 24 CYS H 2.916 . 3.979 3.561 3.542 3.614 . 0 0 "[ . 1 . 2 .]" 1
506 1 23 LEU HA 1 26 MET H 3.184 . 4.451 3.604 3.495 3.732 . 0 0 "[ . 1 . 2 .]" 1
507 1 23 LEU HA 1 26 MET HB2 3.085 . 4.275 3.678 3.357 4.204 . 0 0 "[ . 1 . 2 .]" 1
508 1 23 LEU HA 1 26 MET QB 3.070 . 4.248 3.583 3.289 4.051 . 0 0 "[ . 1 . 2 .]" 1
509 1 23 LEU HA 1 26 MET HG2 2.986 . 4.101 4.192 4.132 4.229 0.128 10 0 "[ . 1 . 2 .]" 1
510 1 23 LEU HA 1 26 MET HG3 2.952 . 4.041 2.554 2.450 2.666 . 0 0 "[ . 1 . 2 .]" 1
511 1 23 LEU HA 1 27 GLN QG 2.989 . 4.106 3.822 3.701 4.062 . 0 0 "[ . 1 . 2 .]" 1
512 1 23 LEU HB3 1 23 LEU MD2 2.342 . 3.028 2.039 2.003 2.068 . 0 0 "[ . 1 . 2 .]" 1
513 1 23 LEU HB3 1 24 CYS H 2.660 . 3.544 2.581 2.491 2.655 . 0 0 "[ . 1 . 2 .]" 1
514 1 23 LEU MD1 1 23 LEU HG 1.903 . 2.356 2.121 2.102 2.126 . 0 0 "[ . 1 . 2 .]" 1
515 1 23 LEU MD1 1 23 LEU HG 1.982 . 2.473 1.687 1.679 1.728 . 0 0 "[ . 1 . 2 .]" 1
516 1 23 LEU MD1 1 24 CYS H 2.791 . 3.765 3.700 3.621 3.765 0.000 16 0 "[ . 1 . 2 .]" 1
517 1 23 LEU MD1 1 24 CYS H 2.862 . 3.886 3.831 3.699 3.912 0.026 15 0 "[ . 1 . 2 .]" 1
518 1 23 LEU MD1 1 26 MET ME 2.722 . 3.648 2.072 1.864 2.290 . 0 0 "[ . 1 . 2 .]" 1
519 1 23 LEU MD1 1 27 GLN HE21 2.691 . 3.596 1.788 1.759 1.931 0.027 17 0 "[ . 1 . 2 .]" 1
520 1 23 LEU MD1 1 27 GLN HE22 2.458 . 3.213 2.790 2.536 2.946 . 0 0 "[ . 1 . 2 .]" 1
521 1 23 LEU MD1 1 27 GLN QG 2.545 . 3.149 2.946 2.764 3.204 0.055 11 0 "[ . 1 . 2 .]" 1
522 1 23 LEU MD1 1 27 GLN QG 2.363 . 3.061 2.483 2.183 3.018 . 0 0 "[ . 1 . 2 .]" 1
523 1 23 LEU MD1 1 67 ARG H 2.925 . 3.994 4.023 3.912 4.089 0.095 18 0 "[ . 1 . 2 .]" 1
524 1 23 LEU MD1 1 67 ARG H 2.950 . 4.038 3.803 3.732 3.852 . 0 0 "[ . 1 . 2 .]" 1
525 1 23 LEU MD1 1 67 ARG HA 1.959 . 2.439 2.186 1.992 2.495 0.056 10 0 "[ . 1 . 2 .]" 1
526 1 23 LEU MD1 1 67 ARG QD 2.626 . 3.488 1.993 1.668 2.530 0.096 24 0 "[ . 1 . 2 .]" 1
527 1 23 LEU MD2 1 23 LEU HG 1.981 . 2.472 2.121 2.114 2.126 . 0 0 "[ . 1 . 2 .]" 1
528 1 23 LEU MD2 1 24 CYS H 2.698 . 3.608 3.177 3.028 3.321 . 0 0 "[ . 1 . 2 .]" 1
529 1 23 LEU MD2 1 24 CYS HA 2.745 . 3.687 3.600 3.422 3.717 0.030 14 0 "[ . 1 . 2 .]" 1
530 1 23 LEU MD2 1 24 CYS HB2 3.156 . 4.401 3.265 2.875 3.448 . 0 0 "[ . 1 . 2 .]" 1
531 1 23 LEU MD2 1 27 GLN H 3.164 . 4.415 3.859 3.674 3.985 . 0 0 "[ . 1 . 2 .]" 1
532 1 23 LEU MD2 1 27 GLN HE21 2.451 . 3.202 2.724 2.521 2.931 . 0 0 "[ . 1 . 2 .]" 1
533 1 23 LEU MD2 1 27 GLN HE22 2.827 . 3.826 3.768 2.521 3.988 0.162 17 0 "[ . 1 . 2 .]" 1
534 1 23 LEU MD2 1 27 GLN QG 2.577 . 3.407 2.818 2.551 3.501 0.094 1 0 "[ . 1 . 2 .]" 1
535 1 23 LEU MD2 1 27 GLN QG 2.221 . 2.838 2.186 1.897 2.836 . 0 0 "[ . 1 . 2 .]" 1
536 1 23 LEU MD2 1 66 ALA MB 1.955 . 2.433 2.290 2.046 2.447 0.014 5 0 "[ . 1 . 2 .]" 1
537 1 23 LEU MD2 1 67 ARG H 2.905 . 3.960 3.365 3.179 3.637 . 0 0 "[ . 1 . 2 .]" 1
538 1 23 LEU MD2 1 67 ARG QB 2.451 . 3.202 3.183 2.765 3.382 0.180 2 0 "[ . 1 . 2 .]" 1
539 1 23 LEU MD2 1 67 ARG QD 2.944 . 4.028 3.282 2.046 4.093 0.065 4 0 "[ . 1 . 2 .]" 1
540 1 23 LEU MD2 1 73 LEU HA 2.687 . 3.590 3.716 3.659 3.757 0.167 22 0 "[ . 1 . 2 .]" 1
541 1 23 LEU HG 1 24 CYS H 2.760 . 3.712 3.328 3.065 3.524 . 0 0 "[ . 1 . 2 .]" 1
542 1 23 LEU HG 1 26 MET H 3.011 . 4.145 3.874 3.730 3.948 . 0 0 "[ . 1 . 2 .]" 1
543 1 23 LEU HG 1 27 GLN HE21 2.462 . 3.220 2.569 2.099 2.726 . 0 0 "[ . 1 . 2 .]" 1
544 1 23 LEU HG 1 27 GLN HE22 2.958 . 4.051 4.027 3.398 4.159 0.108 18 0 "[ . 1 . 2 .]" 1
545 1 23 LEU HG 1 27 GLN QG 2.355 . 3.048 2.127 1.977 2.389 . 0 0 "[ . 1 . 2 .]" 1
546 1 24 CYS H 1 24 CYS HA 2.567 . 3.391 2.797 2.776 2.831 . 0 0 "[ . 1 . 2 .]" 1
547 1 24 CYS H 1 24 CYS HB2 2.785 . 3.754 2.372 2.181 3.596 . 0 0 "[ . 1 . 2 .]" 1
548 1 24 CYS H 1 24 CYS HB3 2.564 . 3.386 2.412 2.238 2.514 . 0 0 "[ . 1 . 2 .]" 1
549 1 24 CYS H 1 25 LYS H 2.848 . 3.862 2.714 2.599 2.781 . 0 0 "[ . 1 . 2 .]" 1
550 1 24 CYS H 1 26 MET H 3.186 . 4.455 4.094 3.981 4.282 . 0 0 "[ . 1 . 2 .]" 1
551 1 24 CYS H 1 27 GLN H 3.472 . 4.979 3.929 3.824 4.048 . 0 0 "[ . 1 . 2 .]" 1
552 1 24 CYS HA 1 24 CYS HB2 2.692 . 3.598 2.534 2.443 2.634 . 0 0 "[ . 1 . 2 .]" 1
553 1 24 CYS HA 1 24 CYS HB3 2.616 . 3.471 2.996 2.442 3.027 . 0 0 "[ . 1 . 2 .]" 1
554 1 24 CYS HA 1 26 MET H 2.899 . 3.950 3.186 3.143 3.233 . 0 0 "[ . 1 . 2 .]" 1
555 1 24 CYS HA 1 27 GLN H 3.018 . 4.157 3.046 2.875 3.199 . 0 0 "[ . 1 . 2 .]" 1
556 1 24 CYS HA 1 27 GLN H 2.957 . 4.050 2.684 2.571 2.860 . 0 0 "[ . 1 . 2 .]" 1
557 1 24 CYS HA 1 27 GLN HB2 2.488 . 3.262 2.454 2.233 2.688 . 0 0 "[ . 1 . 2 .]" 1
558 1 24 CYS HA 1 27 GLN QG 3.095 . 3.857 2.886 2.664 3.609 . 0 0 "[ . 1 . 2 .]" 1
559 1 24 CYS HA 1 28 THR H 3.057 . 4.225 2.985 2.854 3.223 . 0 0 "[ . 1 . 2 .]" 1
560 1 24 CYS HA 1 28 THR MG 2.538 . 3.343 3.224 3.042 3.357 0.014 4 0 "[ . 1 . 2 .]" 1
561 1 24 CYS HA 1 77 ILE MD 2.507 . 3.293 3.418 3.380 3.449 0.156 25 0 "[ . 1 . 2 .]" 1
562 1 24 CYS HA 1 73 LEU MD1 2.654 . 3.534 3.138 2.840 3.298 . 0 0 "[ . 1 . 2 .]" 1
563 1 24 CYS HA 1 73 LEU MD2 2.337 . 3.020 2.617 2.366 2.897 . 0 0 "[ . 1 . 2 .]" 1
564 1 24 CYS HB2 1 24 CYS HG 2.830 . 3.831 3.318 2.583 3.423 . 0 0 "[ . 1 . 2 .]" 1
565 1 24 CYS HB2 1 25 LYS H 2.929 . 4.002 3.850 3.682 3.967 . 0 0 "[ . 1 . 2 .]" 1
566 1 24 CYS HB2 1 35 VAL QG 2.458 . 3.213 2.037 1.690 2.413 0.013 17 0 "[ . 1 . 2 .]" 1
567 1 24 CYS HB2 1 28 THR MG 3.068 . 4.245 2.989 2.410 3.060 . 0 0 "[ . 1 . 2 .]" 1
568 1 24 CYS HB2 1 35 VAL QG 2.989 . 4.106 3.188 3.002 3.285 . 0 0 "[ . 1 . 2 .]" 1
569 1 24 CYS HB2 1 73 LEU MD1 2.448 . 3.197 3.178 2.942 3.548 0.351 16 0 "[ . 1 . 2 .]" 1
570 1 24 CYS HB3 1 28 THR H 3.427 . 4.895 4.764 4.585 4.902 0.007 19 0 "[ . 1 . 2 .]" 1
571 1 24 CYS HB3 1 35 VAL H 2.856 . 3.876 3.974 3.923 4.249 0.373 16 0 "[ . 1 . 2 .]" 1
572 1 24 CYS HB3 1 35 VAL HA 2.691 . 3.596 2.828 2.682 2.905 . 0 0 "[ . 1 . 2 .]" 1
573 1 24 CYS HB3 1 35 VAL QG 2.406 . 3.130 1.850 1.676 3.167 0.037 16 0 "[ . 1 . 2 .]" 1
574 1 25 LYS H 1 25 LYS HA 2.520 . 3.314 2.754 2.731 2.800 . 0 0 "[ . 1 . 2 .]" 1
575 1 25 LYS H 1 25 LYS HB2 2.532 . 3.333 2.164 2.015 2.657 . 0 0 "[ . 1 . 2 .]" 1
576 1 25 LYS H 1 25 LYS QD 2.815 . 3.806 2.610 2.095 3.779 . 0 0 "[ . 1 . 2 .]" 1
577 1 25 LYS H 1 25 LYS HG2 2.851 . 3.867 4.081 1.994 4.375 0.508 16 1 "[ . 1 .+ 2 .]" 1
578 1 25 LYS H 1 25 LYS HG3 2.727 . 3.657 3.671 1.929 3.972 0.315 15 0 "[ . 1 . 2 .]" 1
579 1 25 LYS H 1 26 MET H 2.638 . 3.508 2.757 2.668 2.802 . 0 0 "[ . 1 . 2 .]" 1
580 1 25 LYS H 1 35 VAL QG 2.778 . 3.743 2.918 2.771 3.189 . 0 0 "[ . 1 . 2 .]" 1
581 1 25 LYS H 1 35 VAL QG 2.789 . 3.761 2.855 2.727 3.084 . 0 0 "[ . 1 . 2 .]" 1
582 1 25 LYS HA 1 25 LYS HB2 2.264 . 2.905 2.905 2.840 2.998 0.093 10 0 "[ . 1 . 2 .]" 1
583 1 25 LYS HA 1 25 LYS QD 2.557 . 3.375 2.785 2.207 3.940 0.565 24 2 "[ . - . 2 +.]" 1
584 1 25 LYS HA 1 25 LYS HG2 2.492 . 3.268 3.343 2.535 3.443 0.175 8 0 "[ . 1 . 2 .]" 1
585 1 25 LYS HA 1 25 LYS HG3 2.462 . 3.220 2.229 2.007 3.702 0.482 17 0 "[ . 1 . 2 .]" 1
586 1 25 LYS HA 1 26 MET H 2.818 . 3.811 3.472 3.440 3.497 . 0 0 "[ . 1 . 2 .]" 1
587 1 25 LYS HA 1 28 THR MG 2.911 . 3.970 2.545 2.264 2.773 . 0 0 "[ . 1 . 2 .]" 1
588 1 25 LYS HA 1 29 ALA MB 3.039 . 4.193 4.267 4.219 4.345 0.152 3 0 "[ . 1 . 2 .]" 1
589 1 25 LYS HA 1 35 VAL QG 2.412 . 3.139 2.556 2.266 2.946 . 0 0 "[ . 1 . 2 .]" 1
590 1 25 LYS QB 1 26 MET H 2.605 . 3.454 2.961 2.498 3.091 . 0 0 "[ . 1 . 2 .]" 1
591 1 25 LYS QB 1 26 MET HG2 2.905 . 3.960 3.486 2.928 3.735 . 0 0 "[ . 1 . 2 .]" 1
592 1 25 LYS QB 1 26 MET HG3 3.047 . 4.207 3.391 2.868 3.587 . 0 0 "[ . 1 . 2 .]" 1
593 1 25 LYS HB2 1 25 LYS QD 2.064 . 2.597 2.430 2.034 3.319 0.722 17 1 "[ . 1 . + 2 .]" 1
594 1 25 LYS HB2 1 25 LYS HG2 2.451 . 3.202 2.625 2.348 3.009 . 0 0 "[ . 1 . 2 .]" 1
595 1 25 LYS HB2 1 25 LYS HG3 2.516 . 3.307 2.893 2.412 2.972 . 0 0 "[ . 1 . 2 .]" 1
596 1 25 LYS HB2 1 26 MET H 2.706 . 3.621 3.240 2.538 3.408 . 0 0 "[ . 1 . 2 .]" 1
597 1 25 LYS QD 1 35 VAL QG 2.081 . 2.622 1.716 1.458 3.070 0.448 24 0 "[ . 1 . 2 .]" 1
598 1 25 LYS QE 1 25 LYS HG2 2.859 . 3.881 2.612 2.209 2.881 . 0 0 "[ . 1 . 2 .]" 1
599 1 25 LYS QE 1 25 LYS HG3 3.058 . 4.227 3.249 2.343 3.527 . 0 0 "[ . 1 . 2 .]" 1
600 1 25 LYS QE 1 35 VAL QG 2.524 . 3.320 2.068 1.696 2.502 0.032 17 0 "[ . 1 . 2 .]" 1
601 1 26 MET H 1 26 MET HA 2.249 . 2.881 2.920 2.902 2.931 0.050 21 0 "[ . 1 . 2 .]" 1
602 1 26 MET H 1 26 MET HB2 2.380 . 3.088 2.736 2.589 2.867 . 0 0 "[ . 1 . 2 .]" 1
603 1 26 MET H 1 26 MET HB2 2.279 . 2.928 2.088 2.052 2.438 . 0 0 "[ . 1 . 2 .]" 1
604 1 26 MET H 1 26 MET HG2 2.484 . 3.255 3.140 2.868 3.257 0.002 19 0 "[ . 1 . 2 .]" 1
605 1 26 MET H 1 26 MET HG3 2.385 . 3.096 2.155 1.828 2.363 . 0 0 "[ . 1 . 2 .]" 1
606 1 26 MET H 1 27 GLN H 2.425 . 3.160 2.106 2.032 2.222 . 0 0 "[ . 1 . 2 .]" 1
607 1 26 MET H 1 27 GLN HB2 3.085 . 4.275 4.365 4.337 4.391 0.116 17 0 "[ . 1 . 2 .]" 1
608 1 26 MET H 1 28 THR H 3.031 . 4.179 4.052 3.946 4.167 . 0 0 "[ . 1 . 2 .]" 1
609 1 26 MET HA 1 26 MET HB2 2.363 . 3.061 3.002 2.973 3.024 . 0 0 "[ . 1 . 2 .]" 1
610 1 26 MET HA 1 26 MET HB3 2.071 . 2.607 2.357 2.307 2.416 . 0 0 "[ . 1 . 2 .]" 1
611 1 26 MET HA 1 26 MET HG2 2.309 . 2.975 2.779 2.598 2.960 . 0 0 "[ . 1 . 2 .]" 1
612 1 26 MET HA 1 27 GLN H 2.674 . 3.567 3.460 3.387 3.511 . 0 0 "[ . 1 . 2 .]" 1
613 1 26 MET HA 1 29 ALA H 3.178 . 4.441 4.355 4.251 4.439 . 0 0 "[ . 1 . 2 .]" 1
614 1 26 MET HA 1 29 ALA MB 2.318 . 2.990 3.024 2.922 3.094 0.104 10 0 "[ . 1 . 2 .]" 1
615 1 26 MET HB2 1 26 MET HG2 2.220 . 2.836 2.983 2.979 2.989 0.153 19 0 "[ . 1 . 2 .]" 1
616 1 26 MET HB2 1 26 MET HG3 2.196 . 2.799 2.391 2.347 2.438 . 0 0 "[ . 1 . 2 .]" 1
617 1 26 MET HB2 1 27 GLN H 2.646 . 3.521 2.698 2.415 2.995 . 0 0 "[ . 1 . 2 .]" 1
618 1 26 MET HB2 1 27 GLN QG 2.198 . 2.802 2.782 2.736 2.816 0.014 19 0 "[ . 1 . 2 .]" 1
619 1 26 MET HB3 1 26 MET HG2 2.187 . 2.785 2.467 2.422 2.520 . 0 0 "[ . 1 . 2 .]" 1
620 1 26 MET HB3 1 26 MET HG3 2.644 . 3.518 3.003 2.997 3.007 . 0 0 "[ . 1 . 2 .]" 1
621 1 26 MET HB3 1 27 GLN H 2.947 . 4.032 3.938 3.692 4.093 0.061 2 0 "[ . 1 . 2 .]" 1
622 1 26 MET ME 1 27 GLN HE21 3.031 . 4.179 3.741 3.276 4.017 . 0 0 "[ . 1 . 2 .]" 1
623 1 26 MET ME 1 27 GLN HE22 3.367 . 4.784 3.280 2.900 4.441 . 0 0 "[ . 1 . 2 .]" 1
624 1 26 MET HG3 1 27 GLN H 3.114 . 4.326 3.704 3.364 3.982 . 0 0 "[ . 1 . 2 .]" 1
625 1 27 GLN H 1 27 GLN HA 2.669 . 3.560 2.873 2.842 2.916 . 0 0 "[ . 1 . 2 .]" 1
626 1 27 GLN H 1 27 GLN HB2 2.583 . 3.417 2.518 2.399 2.589 . 0 0 "[ . 1 . 2 .]" 1
627 1 27 GLN H 1 27 GLN HB3 2.418 . 3.149 3.090 3.048 3.129 . 0 0 "[ . 1 . 2 .]" 1
628 1 27 GLN H 1 27 GLN QG 2.149 . 2.726 2.103 1.897 2.411 . 0 0 "[ . 1 . 2 .]" 1
629 1 27 GLN H 1 28 THR MG 3.113 . 4.324 4.280 3.701 4.364 0.040 5 0 "[ . 1 . 2 .]" 1
630 1 27 GLN HA 1 27 GLN HB2 2.614 . 3.468 3.014 3.009 3.020 . 0 0 "[ . 1 . 2 .]" 1
631 1 27 GLN HA 1 27 GLN HB3 2.503 . 3.286 2.423 2.398 2.483 . 0 0 "[ . 1 . 2 .]" 1
632 1 27 GLN HA 1 27 GLN HE21 3.296 . 4.654 4.955 4.839 5.237 0.583 11 3 "[* . 1+ . -2 .]" 1
633 1 27 GLN HA 1 27 GLN QG 2.126 . 2.691 2.909 2.360 3.038 0.347 12 0 "[ . 1 . 2 .]" 1
634 1 27 GLN HA 1 29 ALA H 3.259 . 4.586 3.590 3.527 3.656 . 0 0 "[ . 1 . 2 .]" 1
635 1 27 GLN HB2 1 27 GLN QG 1.952 . 2.428 2.154 2.137 2.248 . 0 0 "[ . 1 . 2 .]" 1
636 1 27 GLN HB2 1 28 THR H 2.484 . 3.255 2.120 2.032 2.333 . 0 0 "[ . 1 . 2 .]" 1
637 1 27 GLN HB2 1 28 THR MG 2.684 . 3.584 2.644 2.470 3.342 . 0 0 "[ . 1 . 2 .]" 1
638 1 27 GLN HB2 1 73 LEU MD2 2.234 . 2.858 1.977 1.727 2.148 . 0 0 "[ . 1 . 2 .]" 1
639 1 27 GLN HB3 1 28 THR H 2.877 . 3.912 3.118 3.075 3.222 . 0 0 "[ . 1 . 2 .]" 1
640 1 27 GLN HB3 1 73 LEU MD2 2.137 . 2.708 1.899 1.795 2.226 . 0 0 "[ . 1 . 2 .]" 1
641 1 27 GLN HB3 1 73 LEU MD2 2.524 . 3.320 2.073 1.882 2.312 . 0 0 "[ . 1 . 2 .]" 1
642 1 27 GLN HE21 1 27 GLN QG 2.289 . 2.944 2.135 2.118 2.195 . 0 0 "[ . 1 . 2 .]" 1
643 1 27 GLN HE21 1 67 ARG HA 3.227 . 4.528 3.607 3.086 4.335 . 0 0 "[ . 1 . 2 .]" 1
644 1 27 GLN HE21 1 73 LEU MD2 2.940 . 4.021 3.848 3.507 4.015 . 0 0 "[ . 1 . 2 .]" 1
645 1 27 GLN HE22 1 27 GLN QG 2.704 . 3.618 3.195 3.183 3.228 . 0 0 "[ . 1 . 2 .]" 1
646 1 28 THR H 1 28 THR HA 2.998 . 4.121 2.900 2.890 2.911 . 0 0 "[ . 1 . 2 .]" 1
647 1 28 THR H 1 28 THR HB 2.834 . 3.838 3.615 2.722 3.671 . 0 0 "[ . 1 . 2 .]" 1
648 1 28 THR H 1 28 THR MG 2.309 . 2.975 2.255 1.973 2.316 . 0 0 "[ . 1 . 2 .]" 1
649 1 28 THR H 1 29 ALA H 2.482 . 3.252 3.168 3.065 3.267 0.015 25 0 "[ . 1 . 2 .]" 1
650 1 28 THR H 1 29 ALA MB 3.313 . 4.685 4.406 4.322 4.500 . 0 0 "[ . 1 . 2 .]" 1
651 1 28 THR H 1 34 VAL QG 3.115 . 4.328 3.933 3.903 3.955 . 0 0 "[ . 1 . 2 .]" 1
652 1 28 THR HA 1 28 THR MG 2.243 . 2.872 2.433 2.364 3.179 0.307 2 0 "[ . 1 . 2 .]" 1
653 1 28 THR HA 1 29 ALA H 2.955 . 4.046 2.707 2.601 2.789 . 0 0 "[ . 1 . 2 .]" 1
654 1 28 THR HA 1 30 ASP H 3.089 . 4.282 3.215 2.968 3.479 . 0 0 "[ . 1 . 2 .]" 1
655 1 28 THR HB 1 28 THR MG 2.090 . 2.636 2.132 2.123 2.134 . 0 0 "[ . 1 . 2 .]" 1
656 1 28 THR MG 1 29 ALA H 3.133 . 4.360 4.281 3.799 4.325 . 0 0 "[ . 1 . 2 .]" 1
657 1 28 THR MG 1 31 HIS H 2.984 . 4.097 3.986 3.529 4.087 . 0 0 "[ . 1 . 2 .]" 1
658 1 28 THR MG 1 31 HIS HB3 2.764 . 3.719 2.895 2.307 3.111 . 0 0 "[ . 1 . 2 .]" 1
659 1 28 THR MG 1 73 LEU MD2 1.788 . 2.188 1.517 1.440 1.629 . 0 0 "[ . 1 . 2 .]" 1
660 1 28 THR MG 2 18 TRP HE1 4.660 . 7.375 5.391 5.208 5.675 . 0 0 "[ . 1 . 2 .]" 1
661 1 29 ALA H 1 29 ALA HA 2.276 . 2.924 2.835 2.803 2.853 . 0 0 "[ . 1 . 2 .]" 1
662 1 29 ALA H 1 29 ALA MB 1.846 . 2.272 2.206 2.183 2.225 . 0 0 "[ . 1 . 2 .]" 1
663 1 29 ALA H 1 30 ASP H 2.483 . 3.254 2.488 2.404 2.652 . 0 0 "[ . 1 . 2 .]" 1
664 1 29 ALA HA 1 29 ALA MB 1.728 . 2.101 2.125 2.119 2.129 0.028 21 0 "[ . 1 . 2 .]" 1
665 1 29 ALA HA 1 30 ASP H 2.703 . 3.616 3.456 3.413 3.515 . 0 0 "[ . 1 . 2 .]" 1
666 1 29 ALA HA 1 31 HIS H 3.128 . 4.351 3.782 3.624 3.960 . 0 0 "[ . 1 . 2 .]" 1
667 1 29 ALA MB 1 30 ASP H 2.201 . 2.807 2.789 2.565 2.881 0.074 3 0 "[ . 1 . 2 .]" 1
668 1 29 ALA MB 1 31 HIS H 3.085 . 4.275 4.305 4.226 4.378 0.103 4 0 "[ . 1 . 2 .]" 1
669 1 30 ASP H 1 30 ASP HA 2.469 . 3.231 2.883 2.836 2.935 . 0 0 "[ . 1 . 2 .]" 1
670 1 30 ASP H 1 30 ASP HA 2.110 . 2.667 2.523 2.496 2.553 . 0 0 "[ . 1 . 2 .]" 1
671 1 30 ASP H 1 30 ASP HB2 2.458 . 3.213 2.764 2.310 3.681 0.468 2 0 "[ . 1 . 2 .]" 1
672 1 30 ASP H 1 31 HIS H 2.341 . 3.026 2.375 2.174 2.504 . 0 0 "[ . 1 . 2 .]" 1
673 1 30 ASP HA 1 30 ASP HB2 2.285 . 2.937 2.607 2.376 3.019 0.082 21 0 "[ . 1 . 2 .]" 1
674 1 30 ASP HA 1 30 ASP QB 2.026 . 2.539 2.333 2.180 2.434 . 0 0 "[ . 1 . 2 .]" 1
675 1 30 ASP HA 1 31 HIS H 2.786 . 3.756 3.378 3.253 3.460 . 0 0 "[ . 1 . 2 .]" 1
676 1 30 ASP HA 1 32 PRO HD2 3.058 . 4.227 3.878 3.803 3.942 . 0 0 "[ . 1 . 2 .]" 1
677 1 30 ASP QB 1 31 HIS H 2.867 . 3.895 3.173 2.831 3.867 . 0 0 "[ . 1 . 2 .]" 1
678 1 30 ASP QB 1 31 HIS HD2 3.382 . 4.812 3.711 2.644 4.819 0.007 18 0 "[ . 1 . 2 .]" 1
679 1 31 HIS H 1 31 HIS HA 2.717 . 3.640 2.929 2.910 2.944 . 0 0 "[ . 1 . 2 .]" 1
680 1 31 HIS H 1 31 HIS HB2 2.862 . 3.886 2.741 2.662 2.894 . 0 0 "[ . 1 . 2 .]" 1
681 1 31 HIS H 1 31 HIS HB3 2.768 . 3.726 3.799 3.653 3.883 0.157 17 0 "[ . 1 . 2 .]" 1
682 1 31 HIS H 1 31 HIS HD2 3.320 . 4.698 4.328 3.809 4.908 0.210 3 0 "[ . 1 . 2 .]" 1
683 1 31 HIS H 1 32 PRO HB3 3.093 . 4.289 4.399 4.153 4.568 0.279 23 0 "[ . 1 . 2 .]" 1
684 1 31 HIS H 1 32 PRO HD2 2.941 . 4.022 4.003 3.858 4.055 0.033 1 0 "[ . 1 . 2 .]" 1
685 1 31 HIS H 1 32 PRO HD3 3.033 . 4.183 3.149 2.963 3.289 . 0 0 "[ . 1 . 2 .]" 1
686 1 31 HIS H 1 33 GLU H 3.018 . 4.157 4.129 4.004 4.245 0.088 22 0 "[ . 1 . 2 .]" 1
687 1 31 HIS HA 1 31 HIS HB2 2.606 . 3.455 3.014 2.959 3.034 . 0 0 "[ . 1 . 2 .]" 1
688 1 31 HIS HA 1 31 HIS HB3 2.954 . 4.045 2.543 2.374 2.697 . 0 0 "[ . 1 . 2 .]" 1
689 1 31 HIS HA 1 32 PRO HD2 2.627 . 3.490 2.160 2.039 2.312 . 0 0 "[ . 1 . 2 .]" 1
690 1 31 HIS HA 1 32 PRO HD3 2.448 . 3.197 2.885 2.775 3.014 . 0 0 "[ . 1 . 2 .]" 1
691 1 31 HIS HA 1 32 PRO QG 2.962 . 4.059 3.976 3.875 4.105 0.046 11 0 "[ . 1 . 2 .]" 1
692 1 31 HIS HB2 1 31 HIS HD2 3.094 . 4.290 3.128 2.683 3.969 . 0 0 "[ . 1 . 2 .]" 1
693 1 31 HIS HB2 1 34 VAL QG 2.406 . 3.130 3.058 2.640 3.243 0.113 4 0 "[ . 1 . 2 .]" 1
694 1 31 HIS HB3 1 31 HIS HD2 3.019 . 4.158 3.550 2.910 3.901 . 0 0 "[ . 1 . 2 .]" 1
695 1 31 HIS HB3 1 34 VAL QG 2.428 . 3.165 2.927 2.318 3.158 . 0 0 "[ . 1 . 2 .]" 1
696 1 31 HIS HB3 1 74 TYR QE 2.878 . 3.914 2.438 2.194 2.662 . 0 0 "[ . 1 . 2 .]" 1
697 1 31 HIS HB3 2 14 PHE QE 3.252 . 4.574 3.542 3.322 3.712 . 0 0 "[ . 1 . 2 .]" 1
698 1 32 PRO HA 1 32 PRO HB2 2.073 . 2.610 2.682 2.668 2.694 0.084 25 0 "[ . 1 . 2 .]" 1
699 1 32 PRO HA 1 32 PRO HB3 2.041 . 2.562 2.295 2.282 2.307 . 0 0 "[ . 1 . 2 .]" 1
700 1 32 PRO HA 1 32 PRO HD3 3.019 . 4.158 3.608 3.555 3.662 . 0 0 "[ . 1 . 2 .]" 1
701 1 32 PRO HA 1 32 PRO QG 2.563 . 3.384 3.329 3.290 3.357 . 0 0 "[ . 1 . 2 .]" 1
702 1 32 PRO HA 1 34 VAL H 3.161 . 4.410 3.716 3.530 3.844 . 0 0 "[ . 1 . 2 .]" 1
703 1 32 PRO HB2 1 32 PRO HD2 2.877 . 3.912 4.034 4.028 4.039 0.127 22 0 "[ . 1 . 2 .]" 1
704 1 32 PRO HB2 1 32 PRO HD3 2.932 . 4.007 3.877 3.864 3.887 . 0 0 "[ . 1 . 2 .]" 1
705 1 32 PRO HB2 1 32 PRO HG2 2.289 . 2.944 2.323 2.318 2.330 . 0 0 "[ . 1 . 2 .]" 1
706 1 32 PRO HB3 1 32 PRO HD2 2.659 . 3.542 3.415 3.403 3.426 . 0 0 "[ . 1 . 2 .]" 1
707 1 32 PRO HB3 1 32 PRO HD3 2.236 . 2.861 2.907 2.894 2.919 0.058 12 0 "[ . 1 . 2 .]" 1
708 1 32 PRO HB3 1 32 PRO HD3 2.087 . 2.631 2.100 2.092 2.106 . 0 0 "[ . 1 . 2 .]" 1
709 1 32 PRO HD2 1 32 PRO QG 2.358 . 3.053 2.176 2.172 2.179 . 0 0 "[ . 1 . 2 .]" 1
710 1 32 PRO HD3 1 32 PRO QG 2.156 . 2.737 2.173 2.169 2.179 . 0 0 "[ . 1 . 2 .]" 1
711 1 32 PRO HD3 1 33 GLU H 3.367 . 4.784 4.319 4.239 4.387 . 0 0 "[ . 1 . 2 .]" 1
712 1 33 GLU H 1 33 GLU HA 2.615 . 3.470 2.908 2.901 2.916 . 0 0 "[ . 1 . 2 .]" 1
713 1 33 GLU H 1 33 GLU HB3 2.740 . 3.679 3.634 3.608 3.682 0.003 1 0 "[ . 1 . 2 .]" 1
714 1 33 GLU H 1 33 GLU HG3 2.740 . 3.679 2.779 2.101 3.990 0.311 2 0 "[ . 1 . 2 .]" 1
715 1 33 GLU H 1 34 VAL H 2.695 . 3.603 2.211 2.168 2.258 . 0 0 "[ . 1 . 2 .]" 1
716 1 33 GLU H 1 34 VAL QG 3.213 . 4.503 3.078 3.013 3.149 . 0 0 "[ . 1 . 2 .]" 1
717 1 33 GLU H 1 35 VAL H 3.262 . 4.592 4.491 4.306 4.614 0.022 22 0 "[ . 1 . 2 .]" 1
718 1 33 GLU HA 1 33 GLU HB2 2.712 . 3.632 3.020 3.003 3.030 . 0 0 "[ . 1 . 2 .]" 1
719 1 33 GLU HA 1 33 GLU HB3 2.613 . 3.466 2.436 2.395 2.523 . 0 0 "[ . 1 . 2 .]" 1
720 1 33 GLU HA 1 33 GLU HG2 2.646 . 3.521 2.944 2.489 3.571 0.050 10 0 "[ . 1 . 2 .]" 1
721 1 33 GLU HA 1 33 GLU HG3 2.397 . 3.115 3.120 2.404 3.704 0.589 6 6 "[ - .+ 1 . * * * *.]" 1
722 1 33 GLU HA 1 34 VAL H 2.660 . 3.544 3.449 3.355 3.484 . 0 0 "[ . 1 . 2 .]" 1
723 1 33 GLU HB3 2 13 TYR HE1 3.237 . 4.546 4.597 4.145 4.893 0.347 21 0 "[ . 1 . 2 .]" 1
724 1 33 GLU HB3 2 13 TYR HD1 3.459 . 4.954 4.786 4.614 4.985 0.031 2 0 "[ . 1 . 2 .]" 1
725 1 34 VAL H 1 34 VAL HA 2.638 . 3.508 2.774 2.761 2.805 . 0 0 "[ . 1 . 2 .]" 1
726 1 34 VAL H 1 34 VAL HB 2.299 . 2.960 2.692 2.626 2.737 . 0 0 "[ . 1 . 2 .]" 1
727 1 34 VAL H 1 34 VAL QG 2.133 . 2.702 1.750 1.714 1.839 . 0 0 "[ . 1 . 2 .]" 1
728 1 34 VAL H 1 35 VAL H 2.891 . 3.936 2.892 2.769 2.943 . 0 0 "[ . 1 . 2 .]" 1
729 1 34 VAL H 1 35 VAL QG 3.033 . 4.183 3.890 3.696 4.008 . 0 0 "[ . 1 . 2 .]" 1
730 1 34 VAL H 1 36 PRO HD2 3.419 . 4.880 3.576 3.413 3.683 . 0 0 "[ . 1 . 2 .]" 1
731 1 34 VAL H 2 10 LEU MD1 3.341 . 4.736 4.772 4.742 4.808 0.072 21 0 "[ . 1 . 2 .]" 1
732 1 34 VAL HA 1 34 VAL HB 2.647 . 3.523 3.012 3.008 3.018 . 0 0 "[ . 1 . 2 .]" 1
733 1 34 VAL HA 1 34 VAL QG 2.272 . 2.676 2.111 2.097 2.126 . 0 0 "[ . 1 . 2 .]" 1
734 1 34 VAL HA 1 34 VAL QG 1.957 . 2.436 1.880 1.836 1.891 . 0 0 "[ . 1 . 2 .]" 1
735 1 34 VAL HA 1 37 PHE H 2.854 . 3.872 3.553 3.495 3.636 . 0 0 "[ . 1 . 2 .]" 1
736 1 34 VAL HA 1 38 LEU H 2.970 . 4.073 3.337 3.233 3.409 . 0 0 "[ . 1 . 2 .]" 1
737 1 34 VAL HA 1 37 PHE H 2.919 . 3.984 3.779 3.700 3.922 . 0 0 "[ . 1 . 2 .]" 1
738 1 34 VAL HA 1 37 PHE HB2 2.881 . 3.918 3.376 3.086 3.572 . 0 0 "[ . 1 . 2 .]" 1
739 1 34 VAL HA 1 37 PHE HB3 2.614 . 3.468 2.749 2.569 2.907 . 0 0 "[ . 1 . 2 .]" 1
740 1 34 VAL HA 1 37 PHE QD 2.805 . 3.788 3.444 3.282 3.616 . 0 0 "[ . 1 . 2 .]" 1
741 1 34 VAL HA 2 10 LEU MD1 2.529 . 3.328 3.218 3.086 3.317 . 0 0 "[ . 1 . 2 .]" 1
742 1 34 VAL HA 2 14 PHE HZ 2.669 . 3.559 2.062 1.879 2.177 . 0 0 "[ . 1 . 2 .]" 1
743 1 34 VAL HB 1 34 VAL QG 1.941 . 2.412 1.887 1.884 1.889 . 0 0 "[ . 1 . 2 .]" 1
744 1 34 VAL HB 1 35 VAL QG 2.627 . 3.490 2.707 2.612 2.763 . 0 0 "[ . 1 . 2 .]" 1
745 1 34 VAL HB 1 37 PHE H 2.956 . 4.048 2.694 2.586 2.872 . 0 0 "[ . 1 . 2 .]" 1
746 1 34 VAL QG 1 35 VAL H 2.428 . 3.165 2.966 2.957 2.975 . 0 0 "[ . 1 . 2 .]" 1
747 1 34 VAL QG 1 35 VAL H 2.347 . 3.036 1.740 1.681 1.787 . 0 0 "[ . 1 . 2 .]" 1
748 1 34 VAL QG 1 37 PHE H 3.238 . 4.549 3.975 3.929 4.028 . 0 0 "[ . 1 . 2 .]" 1
749 1 34 VAL QG 1 74 TYR QD 2.545 . 3.355 2.964 2.866 3.037 . 0 0 "[ . 1 . 2 .]" 1
750 1 34 VAL QG 1 74 TYR QD 2.476 . 3.243 2.429 2.355 2.498 . 0 0 "[ . 1 . 2 .]" 1
751 1 34 VAL QG 1 74 TYR QE 2.195 . 2.797 2.344 2.155 2.512 . 0 0 "[ . 1 . 2 .]" 1
752 1 34 VAL QG 1 77 ILE HB 2.287 . 2.941 2.401 2.302 2.616 . 0 0 "[ . 1 . 2 .]" 1
753 1 34 VAL QG 1 77 ILE MD 2.337 . 3.020 1.597 1.495 1.672 0.159 3 0 "[ . 1 . 2 .]" 1
754 1 34 VAL QG 2 13 TYR HE1 3.005 . 4.134 4.076 4.002 4.150 0.016 3 0 "[ . 1 . 2 .]" 1
755 1 34 VAL QG 2 14 PHE HE1 2.642 . 3.515 2.388 2.323 2.434 . 0 0 "[ . 1 . 2 .]" 1
756 1 34 VAL QG 2 10 LEU QD 2.584 . 3.419 2.421 2.152 2.585 . 0 0 "[ . 1 . 2 .]" 1
757 1 34 VAL QG 2 13 TYR HD1 3.196 . 4.473 4.343 4.268 4.405 . 0 0 "[ . 1 . 2 .]" 1
758 1 34 VAL QG 2 14 PHE QB 2.921 . 3.988 3.387 3.223 3.516 . 0 0 "[ . 1 . 2 .]" 1
759 1 34 VAL QG 2 14 PHE QB 3.766 . 5.538 3.297 3.156 3.411 . 0 0 "[ . 1 . 2 .]" 1
760 1 34 VAL QG 2 14 PHE HD1 2.665 . 3.553 3.182 3.120 3.229 . 0 0 "[ . 1 . 2 .]" 1
761 1 34 VAL QG 2 14 PHE HD1 3.030 . 4.178 2.871 2.745 2.954 . 0 0 "[ . 1 . 2 .]" 1
762 1 34 VAL QG 2 14 PHE QE 2.629 . 3.493 2.414 2.336 2.473 . 0 0 "[ . 1 . 2 .]" 1
763 1 34 VAL QG 2 14 PHE QE 2.194 . 2.782 2.193 2.114 2.260 . 0 0 "[ . 1 . 2 .]" 1
764 1 34 VAL QG 2 14 PHE HZ 3.387 . 4.821 2.518 2.413 2.614 . 0 0 "[ . 1 . 2 .]" 1
765 1 35 VAL H 1 35 VAL HA 2.620 . 3.478 2.765 2.735 2.784 . 0 0 "[ . 1 . 2 .]" 1
766 1 35 VAL H 1 35 VAL HB 2.318 . 2.990 2.708 2.668 2.796 . 0 0 "[ . 1 . 2 .]" 1
767 1 35 VAL H 1 35 VAL QG 2.223 . 2.841 1.753 1.690 1.802 . 0 0 "[ . 1 . 2 .]" 1
768 1 35 VAL H 1 36 PRO HD2 2.692 . 3.598 2.715 2.644 2.811 . 0 0 "[ . 1 . 2 .]" 1
769 1 35 VAL H 1 36 PRO HD3 2.780 . 3.746 2.975 2.909 3.029 . 0 0 "[ . 1 . 2 .]" 1
770 1 35 VAL H 1 37 PHE H 3.482 . 4.997 4.089 3.991 4.186 . 0 0 "[ . 1 . 2 .]" 1
771 1 35 VAL HA 1 35 VAL HB 2.660 . 3.544 3.017 3.000 3.023 . 0 0 "[ . 1 . 2 .]" 1
772 1 35 VAL HA 1 35 VAL QG 1.923 . 2.385 2.110 2.008 2.124 . 0 0 "[ . 1 . 2 .]" 1
773 1 35 VAL HA 1 38 LEU HB2 3.087 . 4.278 2.924 2.689 3.050 . 0 0 "[ . 1 . 2 .]" 1
774 1 35 VAL HA 1 38 LEU HB3 2.805 . 3.789 3.375 3.054 3.511 . 0 0 "[ . 1 . 2 .]" 1
775 1 35 VAL HA 1 38 LEU HB3 3.119 . 4.335 4.363 4.203 4.404 0.069 21 0 "[ . 1 . 2 .]" 1
776 1 35 VAL HA 1 38 LEU QD 2.555 . 3.371 3.255 2.896 3.335 . 0 0 "[ . 1 . 2 .]" 1
777 1 35 VAL HA 1 39 TYR H 3.241 . 4.554 4.064 3.974 4.198 . 0 0 "[ . 1 . 2 .]" 1
778 1 35 VAL HB 1 35 VAL QG 2.099 . 2.464 1.891 1.887 1.895 . 0 0 "[ . 1 . 2 .]" 1
779 1 35 VAL HB 1 36 PRO HD2 2.676 . 3.571 2.942 2.909 3.004 . 0 0 "[ . 1 . 2 .]" 1
780 1 35 VAL QG 1 36 PRO HD2 2.726 . 3.655 3.459 3.407 3.488 . 0 0 "[ . 1 . 2 .]" 1
781 1 35 VAL QG 1 36 PRO HD3 2.512 . 3.048 2.745 2.718 2.769 . 0 0 "[ . 1 . 2 .]" 1
782 1 35 VAL QG 1 37 PHE H 3.359 . 4.769 4.495 4.439 4.563 . 0 0 "[ . 1 . 2 .]" 1
783 1 35 VAL QG 1 39 TYR H 3.191 . 4.464 4.062 3.879 4.155 . 0 0 "[ . 1 . 2 .]" 1
784 1 35 VAL QG 1 39 TYR QD 2.400 . 3.120 2.285 2.054 2.483 . 0 0 "[ . 1 . 2 .]" 1
785 1 35 VAL QG 1 39 TYR HD2 2.484 . 3.255 2.288 2.055 2.487 . 0 0 "[ . 1 . 2 .]" 1
786 1 35 VAL QG 1 39 TYR QE 2.425 . 3.160 1.940 1.643 2.326 0.047 8 0 "[ . 1 . 2 .]" 1
787 1 35 VAL QG 1 39 TYR HE2 2.325 . 3.001 1.941 1.643 2.328 0.006 8 0 "[ . 1 . 2 .]" 1
788 1 35 VAL QG 1 77 ILE HG12 3.243 . 4.558 4.308 4.219 4.365 . 0 0 "[ . 1 . 2 .]" 1
789 1 36 PRO HA 1 36 PRO HB3 2.377 . 3.083 2.291 2.268 2.299 . 0 0 "[ . 1 . 2 .]" 1
790 1 36 PRO HA 1 36 PRO HG3 2.556 . 3.373 2.902 2.864 2.982 . 0 0 "[ . 1 . 2 .]" 1
791 1 36 PRO HA 1 39 TYR QB 2.415 . 3.144 2.312 2.111 2.549 . 0 0 "[ . 1 . 2 .]" 1
792 1 36 PRO HB2 1 39 TYR QD 2.979 . 4.089 4.250 4.035 4.396 0.307 3 0 "[ . 1 . 2 .]" 1
793 1 36 PRO HB2 1 39 TYR QD 2.792 . 3.767 3.919 3.651 4.299 0.532 21 1 "[ . 1 . 2+ .]" 1
794 1 36 PRO HB3 1 36 PRO HD2 2.561 . 3.381 2.898 2.895 2.900 . 0 0 "[ . 1 . 2 .]" 1
795 1 36 PRO HB3 1 39 TYR HD2 3.013 . 4.148 3.733 3.445 3.981 . 0 0 "[ . 1 . 2 .]" 1
796 1 36 PRO HB3 1 37 PHE H 2.684 . 3.584 4.027 3.955 4.148 0.564 21 2 "[ . 1 - . 2+ .]" 1
797 1 36 PRO HD2 1 36 PRO HG2 2.382 . 3.091 2.311 2.305 2.317 . 0 0 "[ . 1 . 2 .]" 1
798 1 36 PRO HD2 1 36 PRO HG3 2.507 . 3.293 2.988 2.982 2.990 . 0 0 "[ . 1 . 2 .]" 1
799 1 36 PRO HD3 1 36 PRO HG2 2.403 . 3.125 2.694 2.688 2.703 . 0 0 "[ . 1 . 2 .]" 1
800 1 36 PRO HD3 1 36 PRO HG3 2.548 . 3.360 2.307 2.296 2.311 . 0 0 "[ . 1 . 2 .]" 1
801 1 36 PRO HD3 1 37 PHE H 3.098 . 4.297 3.993 3.932 4.063 . 0 0 "[ . 1 . 2 .]" 1
802 1 36 PRO HG2 1 37 PHE H 2.967 . 4.068 4.055 3.996 4.079 0.011 1 0 "[ . 1 . 2 .]" 1
803 1 37 PHE H 1 37 PHE HA 2.451 . 3.202 2.821 2.799 2.836 . 0 0 "[ . 1 . 2 .]" 1
804 1 37 PHE H 1 37 PHE HB2 2.785 . 3.754 2.458 2.257 2.545 . 0 0 "[ . 1 . 2 .]" 1
805 1 37 PHE H 1 37 PHE HB3 2.464 . 3.223 2.587 2.491 2.756 . 0 0 "[ . 1 . 2 .]" 1
806 1 37 PHE H 1 38 LEU H 2.567 . 3.391 2.761 2.690 2.823 . 0 0 "[ . 1 . 2 .]" 1
807 1 37 PHE H 1 39 TYR H 3.323 . 4.703 4.013 3.938 4.112 . 0 0 "[ . 1 . 2 .]" 1
808 1 37 PHE HA 1 37 PHE HB2 2.377 . 3.083 2.504 2.461 2.591 . 0 0 "[ . 1 . 2 .]" 1
809 1 37 PHE HA 1 37 PHE HB3 2.363 . 3.061 3.027 2.997 3.035 . 0 0 "[ . 1 . 2 .]" 1
810 1 37 PHE HA 1 37 PHE QD 2.499 . 3.280 2.164 1.739 2.475 0.034 10 0 "[ . 1 . 2 .]" 1
811 1 37 PHE HA 1 38 LEU H 2.775 . 3.737 3.575 3.561 3.587 . 0 0 "[ . 1 . 2 .]" 1
812 1 37 PHE HA 1 41 ARG H 2.921 . 3.987 3.302 3.264 3.359 . 0 0 "[ . 1 . 2 .]" 1
813 1 37 PHE HA 1 40 ASN HB3 2.641 . 3.513 2.929 2.439 3.220 . 0 0 "[ . 1 . 2 .]" 1
814 1 37 PHE HB2 1 37 PHE QD 2.781 . 3.478 2.582 2.440 2.747 . 0 0 "[ . 1 . 2 .]" 1
815 1 37 PHE HB2 1 38 LEU H 2.949 . 4.036 3.684 3.516 3.798 . 0 0 "[ . 1 . 2 .]" 1
816 1 37 PHE HB2 2 10 LEU MD1 3.244 . 4.559 4.172 3.852 4.343 . 0 0 "[ . 1 . 2 .]" 1
817 1 37 PHE HB3 1 37 PHE QD 2.621 . 3.480 2.599 2.371 2.709 . 0 0 "[ . 1 . 2 .]" 1
818 1 37 PHE HB3 1 37 PHE QE 2.883 . 3.922 4.111 4.036 4.194 0.272 10 0 "[ . 1 . 2 .]" 1
819 1 37 PHE HB3 1 38 LEU H 2.896 . 3.945 2.322 2.236 2.476 . 0 0 "[ . 1 . 2 .]" 1
820 1 37 PHE QR 2 10 LEU QB 3.469 . 4.936 3.966 3.725 4.279 . 0 0 "[ . 1 . 2 .]" 1
821 1 37 PHE QD 2 10 LEU MD1 2.094 . 2.642 1.945 1.736 2.204 . 0 0 "[ . 1 . 2 .]" 1
822 1 37 PHE QR 2 10 LEU HG 2.885 . 3.925 4.226 4.018 4.508 0.583 2 2 "[ + . 1 - . 2 .]" 1
823 1 37 PHE QR 1 81 CYS H 3.496 . 5.024 6.232 5.797 6.463 1.439 13 25 [**-*********+************] 1
824 1 37 PHE QR 2 10 LEU MD1 2.497 . 3.277 1.998 1.800 2.222 . 0 0 "[ . 1 . 2 .]" 1
825 1 37 PHE QR 2 13 TYR HE1 2.946 . 4.031 2.972 2.687 3.199 . 0 0 "[ . 1 . 2 .]" 1
826 1 37 PHE QR 2 13 TYR QE 2.556 . 3.373 2.943 2.672 3.154 . 0 0 "[ . 1 . 2 .]" 1
827 1 37 PHE QD 1 38 LEU H 3.081 . 4.268 3.914 3.677 4.188 . 0 0 "[ . 1 . 2 .]" 1
828 1 37 PHE QD 1 38 LEU QD 2.974 . 4.080 3.810 3.687 3.923 . 0 0 "[ . 1 . 2 .]" 1
829 1 37 PHE QD 1 40 ASN HB2 3.078 . 4.262 4.116 3.654 4.308 0.046 5 0 "[ . 1 . 2 .]" 1
830 1 37 PHE QD 1 40 ASN HB3 2.856 . 3.875 3.006 2.418 3.549 . 0 0 "[ . 1 . 2 .]" 1
831 1 37 PHE QD 2 10 LEU QD 2.721 . 3.646 2.101 1.842 2.333 . 0 0 "[ . 1 . 2 .]" 1
832 1 37 PHE QD 2 14 PHE QB 3.726 . 5.462 6.450 6.206 6.637 1.175 5 25 [**-*+********************] 1
833 1 37 PHE QE 2 7 ASP HB2 3.626 . 5.269 5.151 4.752 5.709 0.440 16 0 "[ . 1 . 2 .]" 1
834 1 37 PHE QE 2 9 GLU HG2 2.507 . 3.293 1.951 1.664 3.084 0.057 1 0 "[ . 1 . 2 .]" 1
835 1 37 PHE QE 2 5 ASP HB3 3.525 . 5.079 5.475 4.651 6.021 0.942 3 12 "[**+ . **** * . *- * *.]" 1
836 1 37 PHE QE 2 9 GLU H 4.757 . 7.586 4.825 4.161 5.215 . 0 0 "[ . 1 . 2 .]" 1
837 1 37 PHE QE 2 9 GLU HB2 2.564 . 3.386 3.553 1.871 4.109 0.723 10 4 "[ . + * .* - .]" 1
838 1 37 PHE QE 2 9 GLU QG 2.400 . 3.120 1.898 1.628 2.994 0.163 8 0 "[ . 1 . 2 .]" 1
839 1 37 PHE QE 2 10 LEU H 3.345 . 4.743 3.676 3.161 4.050 . 0 0 "[ . 1 . 2 .]" 1
840 1 37 PHE QE 2 10 LEU MD1 2.388 . 3.101 2.467 2.188 2.705 . 0 0 "[ . 1 . 2 .]" 1
841 1 37 PHE QE 2 10 LEU MD2 2.565 . 3.388 2.283 1.984 2.660 . 0 0 "[ . 1 . 2 .]" 1
842 1 37 PHE HZ 2 9 GLU QB 2.963 . 4.060 2.958 1.895 3.788 . 0 0 "[ . 1 . 2 .]" 1
843 1 37 PHE HZ 2 9 GLU HB3 3.391 . 4.828 3.090 2.070 4.034 . 0 0 "[ . 1 . 2 .]" 1
844 1 38 LEU H 1 38 LEU HB2 2.628 . 3.491 2.468 2.411 2.508 . 0 0 "[ . 1 . 2 .]" 1
845 1 38 LEU H 1 38 LEU HB3 2.714 . 3.635 3.586 3.565 3.600 . 0 0 "[ . 1 . 2 .]" 1
846 1 38 LEU H 1 38 LEU HB3 2.555 . 3.371 2.354 2.308 2.442 . 0 0 "[ . 1 . 2 .]" 1
847 1 38 LEU H 1 38 LEU QD 2.534 . 3.337 2.855 2.680 3.049 . 0 0 "[ . 1 . 2 .]" 1
848 1 38 LEU H 1 38 LEU HG 2.859 . 3.881 2.387 2.337 2.484 . 0 0 "[ . 1 . 2 .]" 1
849 1 38 LEU H 1 39 TYR H 2.638 . 3.508 2.735 2.657 2.788 . 0 0 "[ . 1 . 2 .]" 1
850 1 38 LEU H 1 77 ILE MG 2.962 . 4.059 4.138 4.097 4.195 0.136 16 0 "[ . 1 . 2 .]" 1
851 1 38 LEU H 2 10 LEU MD1 3.344 . 4.742 4.505 4.332 4.661 . 0 0 "[ . 1 . 2 .]" 1
852 1 38 LEU HA 1 38 LEU HB2 2.771 . 3.730 3.013 3.008 3.030 . 0 0 "[ . 1 . 2 .]" 1
853 1 38 LEU HA 1 38 LEU HB3 2.777 . 3.741 2.499 2.481 2.533 . 0 0 "[ . 1 . 2 .]" 1
854 1 38 LEU HA 1 38 LEU QD 2.078 . 2.618 1.847 1.804 1.927 . 0 0 "[ . 1 . 2 .]" 1
855 1 38 LEU HA 1 41 ARG H 3.113 . 4.324 3.538 3.415 3.641 . 0 0 "[ . 1 . 2 .]" 1
856 1 38 LEU HB2 1 38 LEU QD 2.027 . 2.541 2.376 2.305 2.438 . 0 0 "[ . 1 . 2 .]" 1
857 1 38 LEU HB2 1 39 TYR H 2.911 . 3.970 2.610 2.521 2.682 . 0 0 "[ . 1 . 2 .]" 1
858 1 38 LEU HB2 1 40 ASN H 3.306 . 4.672 4.628 4.542 4.713 0.041 20 0 "[ . 1 . 2 .]" 1
859 1 38 LEU HB3 1 38 LEU QD 1.865 . 2.300 2.084 2.065 2.103 . 0 0 "[ . 1 . 2 .]" 1
860 1 38 LEU HB3 1 39 TYR H 2.774 . 3.736 3.574 3.423 3.661 . 0 0 "[ . 1 . 2 .]" 1
861 1 38 LEU QD 1 39 TYR HA 2.931 . 4.005 4.163 4.080 4.229 0.224 3 0 "[ . 1 . 2 .]" 1
862 1 38 LEU QD 1 39 TYR H 2.860 . 3.882 4.060 4.032 4.080 0.198 24 0 "[ . 1 . 2 .]" 1
863 1 38 LEU QD 1 41 ARG H 3.355 . 4.762 4.474 4.362 4.612 . 0 0 "[ . 1 . 2 .]" 1
864 1 38 LEU QD 1 77 ILE HA 2.241 . 2.869 2.358 2.199 2.484 . 0 0 "[ . 1 . 2 .]" 1
865 1 38 LEU QD 1 78 ASN H 3.015 . 4.151 3.950 3.871 4.026 . 0 0 "[ . 1 . 2 .]" 1
866 1 38 LEU QD 1 80 LEU MD2 1.852 . 2.281 2.305 2.258 2.351 0.070 13 0 "[ . 1 . 2 .]" 1
867 1 38 LEU QD 1 80 LEU MD2 2.099 . 2.650 2.094 2.062 2.117 . 0 0 "[ . 1 . 2 .]" 1
868 1 38 LEU QD 1 81 CYS H 3.300 . 4.661 3.102 2.950 3.260 . 0 0 "[ . 1 . 2 .]" 1
869 1 38 LEU QD 2 10 LEU QD 2.634 . 3.501 2.851 2.619 3.076 . 0 0 "[ . 1 . 2 .]" 1
870 1 38 LEU HG 1 39 TYR H 3.150 . 4.390 4.393 4.350 4.422 0.032 13 0 "[ . 1 . 2 .]" 1
871 1 39 TYR H 1 39 TYR HA 2.575 . 3.404 2.799 2.779 2.823 . 0 0 "[ . 1 . 2 .]" 1
872 1 39 TYR H 1 39 TYR QB 2.530 . 3.147 2.240 2.146 2.330 . 0 0 "[ . 1 . 2 .]" 1
873 1 39 TYR H 1 39 TYR HD2 2.636 . 3.505 3.108 2.924 3.286 . 0 0 "[ . 1 . 2 .]" 1
874 1 39 TYR H 1 40 ASN H 2.653 . 3.533 2.720 2.637 2.794 . 0 0 "[ . 1 . 2 .]" 1
875 1 39 TYR H 1 40 ASN HB2 3.334 . 4.723 4.822 4.745 5.116 0.393 9 0 "[ . 1 . 2 .]" 1
876 1 39 TYR H 1 41 ARG H 3.571 . 5.165 4.295 4.151 4.496 . 0 0 "[ . 1 . 2 .]" 1
877 1 39 TYR HA 1 39 TYR QB 2.473 . 3.237 2.494 2.466 2.521 . 0 0 "[ . 1 . 2 .]" 1
878 1 39 TYR HA 1 39 TYR QD 2.164 . 2.750 2.594 2.487 2.709 . 0 0 "[ . 1 . 2 .]" 1
879 1 39 TYR HA 1 40 ASN H 3.079 . 4.264 3.522 3.506 3.535 . 0 0 "[ . 1 . 2 .]" 1
880 1 39 TYR QB 1 39 TYR HD2 2.192 . 2.792 2.264 2.252 2.281 . 0 0 "[ . 1 . 2 .]" 1
881 1 39 TYR QB 1 39 TYR QE 3.119 . 4.335 3.924 3.918 3.933 . 0 0 "[ . 1 . 2 .]" 1
882 1 39 TYR QB 1 40 ASN H 2.629 . 3.493 2.435 2.371 2.502 . 0 0 "[ . 1 . 2 .]" 1
883 1 39 TYR QB 1 43 GLN HE22 3.543 . 5.112 5.475 5.261 5.786 0.674 18 2 "[ . 1 . + 2 -]" 1
884 1 39 TYR QD 1 43 GLN QG 2.512 . 3.300 3.595 3.391 3.795 0.495 21 0 "[ . 1 . 2 .]" 1
885 1 40 ASN H 1 40 ASN HA 2.307 . 2.972 2.797 2.758 2.823 . 0 0 "[ . 1 . 2 .]" 1
886 1 40 ASN H 1 40 ASN HB2 2.335 . 3.016 2.292 2.167 2.538 . 0 0 "[ . 1 . 2 .]" 1
887 1 40 ASN H 1 40 ASN HB3 2.417 . 3.147 2.695 2.474 2.870 . 0 0 "[ . 1 . 2 .]" 1
888 1 40 ASN H 1 40 ASN HD21 3.280 . 4.625 4.530 4.278 4.692 0.067 12 0 "[ . 1 . 2 .]" 1
889 1 40 ASN H 1 41 ARG H 2.642 . 3.514 2.714 2.604 2.915 . 0 0 "[ . 1 . 2 .]" 1
890 1 40 ASN H 1 41 ARG QB 3.565 . 5.154 3.874 3.678 3.980 . 0 0 "[ . 1 . 2 .]" 1
891 1 40 ASN H 1 42 GLN H 3.310 . 4.679 4.097 3.981 4.189 . 0 0 "[ . 1 . 2 .]" 1
892 1 40 ASN HA 1 40 ASN HB2 2.254 . 2.889 2.558 2.428 2.652 . 0 0 "[ . 1 . 2 .]" 1
893 1 40 ASN HA 1 40 ASN HB3 2.258 . 2.895 2.992 2.968 3.006 0.111 19 0 "[ . 1 . 2 .]" 1
894 1 40 ASN HA 1 40 ASN HD21 2.935 . 4.012 2.868 1.860 3.754 . 0 0 "[ . 1 . 2 .]" 1
895 1 40 ASN HA 1 40 ASN HD22 3.029 . 4.176 3.796 3.403 4.214 0.038 7 0 "[ . 1 . 2 .]" 1
896 1 40 ASN HA 1 41 ARG H 2.441 . 3.186 3.148 3.135 3.158 . 0 0 "[ . 1 . 2 .]" 1
897 1 40 ASN HA 1 43 GLN H 2.887 . 3.929 3.510 3.338 3.757 . 0 0 "[ . 1 . 2 .]" 1
898 1 40 ASN HA 1 43 GLN HG2 2.495 . 3.273 2.879 2.573 3.258 . 0 0 "[ . 1 . 2 .]" 1
899 1 40 ASN HB2 1 40 ASN HD21 2.755 . 3.703 3.264 2.251 3.514 . 0 0 "[ . 1 . 2 .]" 1
900 1 40 ASN HB2 1 40 ASN HD22 2.932 . 4.007 3.947 3.467 4.061 0.054 24 0 "[ . 1 . 2 .]" 1
901 1 40 ASN HB2 1 41 ARG H 2.707 . 3.623 3.605 3.511 3.690 0.067 9 0 "[ . 1 . 2 .]" 1
902 1 40 ASN HB3 1 40 ASN HD21 2.712 . 3.631 2.789 2.210 3.509 . 0 0 "[ . 1 . 2 .]" 1
903 1 40 ASN HB3 1 40 ASN HD22 2.751 . 3.697 3.714 3.462 4.060 0.363 19 0 "[ . 1 . 2 .]" 1
904 1 40 ASN HB3 1 41 ARG H 2.721 . 3.646 2.421 2.211 2.679 . 0 0 "[ . 1 . 2 .]" 1
905 1 40 ASN HB3 2 10 LEU MD1 3.430 . 4.901 4.186 4.066 4.281 . 0 0 "[ . 1 . 2 .]" 1
906 1 40 ASN HD21 1 44 ARG QD 3.287 . 4.637 3.681 2.046 4.648 0.011 8 0 "[ . 1 . 2 .]" 1
907 1 40 ASN HD22 1 43 GLN QB 3.440 . 4.919 4.610 3.795 5.007 0.088 1 0 "[ . 1 . 2 .]" 1
908 1 40 ASN HD22 1 44 ARG QD 2.623 . 3.483 3.371 2.464 4.395 0.912 13 6 "[ *- * * + . 2 *.]" 1
909 1 40 ASN HD22 1 44 ARG QG 3.327 . 4.710 3.304 2.439 4.800 0.090 2 0 "[ . 1 . 2 .]" 1
910 1 41 ARG H 1 41 ARG HA 2.790 . 3.763 2.814 2.791 2.844 . 0 0 "[ . 1 . 2 .]" 1
911 1 41 ARG H 1 41 ARG HB2 2.805 . 3.789 2.573 2.483 2.663 . 0 0 "[ . 1 . 2 .]" 1
912 1 41 ARG H 1 41 ARG QB 2.822 . 3.817 2.238 2.211 2.277 . 0 0 "[ . 1 . 2 .]" 1
913 1 41 ARG H 1 41 ARG QG 2.714 . 3.635 3.853 3.802 3.902 0.267 2 0 "[ . 1 . 2 .]" 1
914 1 41 ARG H 1 42 GLN H 2.847 . 3.860 2.670 2.579 2.738 . 0 0 "[ . 1 . 2 .]" 1
915 1 41 ARG H 1 84 LEU MD1 3.341 . 4.736 4.073 3.912 4.331 . 0 0 "[ . 1 . 2 .]" 1
916 1 41 ARG HA 1 41 ARG QD 2.623 . 3.483 2.132 1.882 2.341 . 0 0 "[ . 1 . 2 .]" 1
917 1 41 ARG HA 1 41 ARG QD 2.385 . 3.096 2.119 1.881 2.337 . 0 0 "[ . 1 . 2 .]" 1
918 1 41 ARG HA 1 41 ARG QD 2.682 . 3.581 2.055 1.782 2.255 0.001 21 0 "[ . 1 . 2 .]" 1
919 1 41 ARG HA 1 41 ARG HG2 2.715 . 3.636 3.771 3.645 3.876 0.240 1 0 "[ . 1 . 2 .]" 1
920 1 41 ARG HA 1 44 ARG H 2.828 . 3.828 2.997 2.894 3.146 . 0 0 "[ . 1 . 2 .]" 1
921 1 41 ARG HA 1 45 ALA H 2.899 . 3.950 3.626 3.463 3.772 . 0 0 "[ . 1 . 2 .]" 1
922 1 41 ARG HA 1 84 LEU MD1 2.220 . 2.836 2.095 1.996 2.202 . 0 0 "[ . 1 . 2 .]" 1
923 1 41 ARG QB 1 44 ARG H 2.822 . 3.817 3.831 3.516 3.903 0.086 18 0 "[ . 1 . 2 .]" 1
924 1 41 ARG QB 1 84 LEU MD1 2.750 . 3.695 2.306 2.104 2.565 . 0 0 "[ . 1 . 2 .]" 1
925 1 41 ARG QB 2 10 LEU MD2 2.908 . 3.965 3.926 3.853 3.976 0.011 16 0 "[ . 1 . 2 .]" 1
926 1 41 ARG HB2 1 41 ARG HG2 2.707 . 3.623 2.417 2.343 2.493 . 0 0 "[ . 1 . 2 .]" 1
927 1 41 ARG QD 1 41 ARG HG2 2.293 . 2.950 2.387 2.272 2.527 . 0 0 "[ . 1 . 2 .]" 1
928 1 41 ARG QD 1 44 ARG HB2 2.907 . 3.963 2.553 2.040 2.957 . 0 0 "[ . 1 . 2 .]" 1
929 1 41 ARG QD 1 45 ALA H 3.588 . 5.197 4.274 3.958 4.707 . 0 0 "[ . 1 . 2 .]" 1
930 1 41 ARG QD 1 45 ALA MB 2.755 . 3.703 3.604 3.222 3.768 0.065 13 0 "[ . 1 . 2 .]" 1
931 1 41 ARG QD 1 45 ALA MB 2.775 . 3.738 3.413 3.130 3.549 . 0 0 "[ . 1 . 2 .]" 1
932 1 41 ARG QD 1 85 LYS H 3.414 . 4.871 3.411 2.743 4.173 . 0 0 "[ . 1 . 2 .]" 1
933 1 41 ARG QD 1 85 LYS QG 1.948 . 2.422 1.916 1.594 2.457 0.035 12 0 "[ . 1 . 2 .]" 1
934 1 41 ARG QG 1 84 LEU MD1 2.049 . 2.574 1.575 1.502 1.648 0.022 11 0 "[ . 1 . 2 .]" 1
935 1 41 ARG QG 1 86 ALA H 3.135 . 4.364 4.398 4.309 4.497 0.133 24 0 "[ . 1 . 2 .]" 1
936 1 41 ARG HG2 1 81 CYS HA 2.580 . 3.412 2.570 2.184 2.978 . 0 0 "[ . 1 . 2 .]" 1
937 1 41 ARG HG2 1 84 LEU HB2 2.280 . 2.930 2.952 2.476 3.345 0.415 17 0 "[ . 1 . 2 .]" 1
938 1 41 ARG HG2 1 84 LEU MD1 2.858 . 3.879 2.466 2.156 2.687 . 0 0 "[ . 1 . 2 .]" 1
939 1 42 GLN H 1 42 GLN HA 2.765 . 3.721 2.839 2.803 2.866 . 0 0 "[ . 1 . 2 .]" 1
940 1 42 GLN H 1 42 GLN HB2 2.815 . 3.806 2.481 2.353 2.710 . 0 0 "[ . 1 . 2 .]" 1
941 1 42 GLN H 1 42 GLN HB3 2.883 . 3.922 2.653 2.474 2.785 . 0 0 "[ . 1 . 2 .]" 1
942 1 42 GLN H 1 84 LEU MD1 2.792 . 3.767 2.675 2.544 2.915 . 0 0 "[ . 1 . 2 .]" 1
943 1 42 GLN HA 1 42 GLN HB2 2.802 . 3.783 2.521 2.414 2.587 . 0 0 "[ . 1 . 2 .]" 1
944 1 42 GLN HA 1 42 GLN HB2 2.503 . 3.286 2.181 2.029 2.316 . 0 0 "[ . 1 . 2 .]" 1
945 1 42 GLN HA 1 42 GLN HB3 2.825 . 3.822 3.021 3.010 3.029 . 0 0 "[ . 1 . 2 .]" 1
946 1 42 GLN HA 1 42 GLN HG2 2.642 . 3.515 2.784 2.245 3.194 . 0 0 "[ . 1 . 2 .]" 1
947 1 42 GLN HA 1 42 GLN HG3 2.694 . 3.601 2.729 2.528 3.521 . 0 0 "[ . 1 . 2 .]" 1
948 1 42 GLN HA 1 44 ARG H 3.445 . 4.928 4.043 3.806 4.268 . 0 0 "[ . 1 . 2 .]" 1
949 1 42 GLN HA 1 44 ARG H 2.877 . 3.912 3.161 2.995 3.408 . 0 0 "[ . 1 . 2 .]" 1
950 1 42 GLN HA 1 45 ALA H 3.154 . 4.397 3.305 3.119 3.622 . 0 0 "[ . 1 . 2 .]" 1
951 1 42 GLN HA 1 45 ALA MB 2.587 . 3.424 2.398 2.151 2.620 . 0 0 "[ . 1 . 2 .]" 1
952 1 42 GLN HA 1 50 LEU QD 2.717 . 3.640 3.170 2.918 3.401 . 0 0 "[ . 1 . 2 .]" 1
953 1 42 GLN HA 1 84 LEU MD1 2.428 . 3.165 1.892 1.732 2.113 . 0 0 "[ . 1 . 2 .]" 1
954 1 42 GLN HA 1 84 LEU MD2 2.345 . 3.032 2.422 2.301 2.594 . 0 0 "[ . 1 . 2 .]" 1
955 1 42 GLN HB2 1 42 GLN QE 3.194 . 4.469 3.722 2.860 3.987 . 0 0 "[ . 1 . 2 .]" 1
956 1 42 GLN HB2 1 42 GLN HG3 2.630 . 3.494 2.357 2.249 2.456 . 0 0 "[ . 1 . 2 .]" 1
957 1 42 GLN HB2 1 43 GLN H 3.181 . 4.446 3.657 3.579 3.759 . 0 0 "[ . 1 . 2 .]" 1
958 1 42 GLN HB3 1 42 GLN HG2 2.492 . 3.268 2.579 2.432 2.975 . 0 0 "[ . 1 . 2 .]" 1
959 1 42 GLN HB3 1 42 GLN HG3 2.796 . 3.773 2.958 2.626 3.013 . 0 0 "[ . 1 . 2 .]" 1
960 1 42 GLN HB3 1 43 GLN H 2.903 . 3.957 2.741 2.635 2.816 . 0 0 "[ . 1 . 2 .]" 1
961 1 42 GLN QE 1 42 GLN HG2 2.573 . 3.401 2.597 2.211 3.249 . 0 0 "[ . 1 . 2 .]" 1
962 1 42 GLN QE 1 42 GLN HG3 2.604 . 3.452 2.434 2.173 2.792 . 0 0 "[ . 1 . 2 .]" 1
963 1 42 GLN QE 1 50 LEU QD 2.579 . 3.321 2.699 1.629 3.030 0.118 12 0 "[ . 1 . 2 .]" 1
964 1 42 GLN HG2 1 43 GLN H 3.184 . 4.451 3.732 3.505 4.110 . 0 0 "[ . 1 . 2 .]" 1
965 1 42 GLN HG2 1 50 LEU QD 2.272 . 2.917 2.074 1.817 2.182 . 0 0 "[ . 1 . 2 .]" 1
966 1 42 GLN HG2 1 50 LEU QD 2.716 . 3.638 2.466 1.918 2.840 . 0 0 "[ . 1 . 2 .]" 1
967 1 42 GLN HG3 1 50 LEU QD 2.680 . 3.578 2.706 1.984 3.655 0.077 8 0 "[ . 1 . 2 .]" 1
968 1 42 GLN HG3 1 50 LEU QD 2.824 . 3.821 2.543 1.976 3.118 . 0 0 "[ . 1 . 2 .]" 1
969 1 42 GLN HG3 1 84 LEU MD2 2.397 . 3.115 2.620 2.212 3.200 0.085 12 0 "[ . 1 . 2 .]" 1
970 1 43 GLN H 1 43 GLN HA 2.397 . 3.115 2.848 2.810 2.869 . 0 0 "[ . 1 . 2 .]" 1
971 1 43 GLN H 1 43 GLN HB2 2.326 . 3.002 2.598 2.526 2.879 . 0 0 "[ . 1 . 2 .]" 1
972 1 43 GLN H 1 43 GLN HE22 3.316 . 4.691 4.166 4.014 4.712 0.021 20 0 "[ . 1 . 2 .]" 1
973 1 43 GLN H 1 43 GLN HG2 2.211 . 2.822 2.193 1.500 2.282 0.100 20 0 "[ . 1 . 2 .]" 1
974 1 43 GLN H 1 44 ARG H 2.637 . 3.506 2.486 2.389 2.645 . 0 0 "[ . 1 . 2 .]" 1
975 1 43 GLN H 1 45 ALA H 3.355 . 4.762 3.810 3.651 3.986 . 0 0 "[ . 1 . 2 .]" 1
976 1 43 GLN H 1 45 ALA MB 2.832 . 3.835 4.033 3.942 4.074 0.239 23 0 "[ . 1 . 2 .]" 1
977 1 43 GLN H 1 84 LEU MD1 2.492 . 3.268 2.613 1.672 2.778 0.044 8 0 "[ . 1 . 2 .]" 1
978 1 43 GLN HA 1 43 GLN QB 2.094 . 2.642 2.333 2.232 2.363 . 0 0 "[ . 1 . 2 .]" 1
979 1 43 GLN HA 1 43 GLN HE21 2.844 . 3.855 2.802 2.619 2.974 . 0 0 "[ . 1 . 2 .]" 1
980 1 43 GLN HA 1 43 GLN HE22 2.981 . 4.092 3.295 3.158 3.719 . 0 0 "[ . 1 . 2 .]" 1
981 1 43 GLN HA 1 44 ARG H 2.562 . 3.382 2.972 2.861 3.056 . 0 0 "[ . 1 . 2 .]" 1
982 1 43 GLN QB 1 43 GLN HE22 2.976 . 4.083 4.146 3.290 4.216 0.133 17 0 "[ . 1 . 2 .]" 1
983 1 43 GLN QB 1 44 ARG H 2.676 . 3.571 2.814 2.605 3.030 . 0 0 "[ . 1 . 2 .]" 1
984 1 43 GLN QB 1 44 ARG H 2.489 . 3.264 2.721 2.547 2.900 . 0 0 "[ . 1 . 2 .]" 1
985 1 43 GLN QB 1 44 ARG QD 2.311 . 2.979 2.507 1.948 2.991 0.012 23 0 "[ . 1 . 2 .]" 1
986 1 43 GLN QB 1 44 ARG QG 2.451 . 3.202 2.212 2.128 2.284 . 0 0 "[ . 1 . 2 .]" 1
987 1 43 GLN QB 1 45 ALA H 3.013 . 4.148 3.815 3.525 3.942 . 0 0 "[ . 1 . 2 .]" 1
988 1 43 GLN HB2 1 43 GLN HE21 2.823 . 3.819 3.870 3.334 3.917 0.098 12 0 "[ . 1 . 2 .]" 1
989 1 43 GLN HE21 1 43 GLN HG2 2.239 . 2.866 2.223 2.153 3.468 0.602 20 1 "[ . 1 . + .]" 1
990 1 43 GLN HE22 1 43 GLN QG 2.429 . 3.166 3.254 3.240 3.428 0.262 20 0 "[ . 1 . 2 .]" 1
991 1 44 ARG H 1 44 ARG HA 2.587 . 3.424 2.900 2.877 2.924 . 0 0 "[ . 1 . 2 .]" 1
992 1 44 ARG H 1 44 ARG HB2 2.403 . 3.125 2.461 2.168 2.625 . 0 0 "[ . 1 . 2 .]" 1
993 1 44 ARG H 1 44 ARG HB3 2.791 . 3.765 3.627 3.423 3.707 . 0 0 "[ . 1 . 2 .]" 1
994 1 44 ARG H 1 44 ARG HD2 3.008 . 4.139 3.617 2.253 4.690 0.551 10 2 "[ -. + . 2 .]" 1
995 1 44 ARG H 1 44 ARG QG 2.558 . 3.376 2.709 2.235 3.469 0.093 22 0 "[ . 1 . 2 .]" 1
996 1 44 ARG H 1 45 ALA HA 3.449 . 4.936 4.899 4.789 4.972 0.036 21 0 "[ . 1 . 2 .]" 1
997 1 44 ARG H 1 45 ALA MB 2.899 . 3.950 3.932 3.856 3.988 0.038 21 0 "[ . 1 . 2 .]" 1
998 1 44 ARG H 1 50 LEU QD 3.075 . 4.257 4.270 4.167 4.411 0.154 15 0 "[ . 1 . 2 .]" 1
999 1 44 ARG HA 1 44 ARG QD 2.480 . 3.249 2.296 1.699 3.442 0.193 23 0 "[ . 1 . 2 .]" 1
1000 1 44 ARG HA 1 44 ARG QG 2.388 . 3.101 2.772 1.963 3.085 . 0 0 "[ . 1 . 2 .]" 1
1001 1 44 ARG HA 1 45 ALA H 2.754 . 3.702 3.302 3.092 3.444 . 0 0 "[ . 1 . 2 .]" 1
1002 1 44 ARG HB2 1 44 ARG QD 1.836 . 2.257 1.791 1.718 1.850 . 0 0 "[ . 1 . 2 .]" 1
1003 1 44 ARG HB2 1 45 ALA H 2.918 . 3.982 3.414 3.082 3.882 . 0 0 "[ . 1 . 2 .]" 1
1004 1 44 ARG HB3 1 44 ARG QD 2.586 . 3.422 2.886 2.432 3.293 . 0 0 "[ . 1 . 2 .]" 1
1005 1 44 ARG HD2 1 44 ARG QG 2.363 . 3.061 2.323 2.154 2.385 . 0 0 "[ . 1 . 2 .]" 1
1006 1 44 ARG QG 1 45 ALA H 3.085 . 4.275 4.402 4.156 4.762 0.487 21 0 "[ . 1 . 2 .]" 1
1007 1 45 ALA H 1 45 ALA HA 2.695 . 3.603 2.885 2.828 2.928 . 0 0 "[ . 1 . 2 .]" 1
1008 1 45 ALA H 1 45 ALA MB 1.982 . 2.473 2.233 2.184 2.322 . 0 0 "[ . 1 . 2 .]" 1
1009 1 45 ALA H 1 46 HIS H 3.022 . 4.163 3.908 3.839 4.015 . 0 0 "[ . 1 . 2 .]" 1
1010 1 45 ALA H 1 50 LEU QD 3.215 . 4.507 3.513 3.231 3.806 . 0 0 "[ . 1 . 2 .]" 1
1011 1 45 ALA H 1 50 LEU QD 2.252 . 2.886 2.766 2.641 2.831 . 0 0 "[ . 1 . 2 .]" 1
1012 1 45 ALA H 1 50 LEU QD 2.906 . 3.961 3.349 3.155 3.519 . 0 0 "[ . 1 . 2 .]" 1
1013 1 45 ALA H 1 84 LEU MD2 3.224 . 4.523 4.573 4.490 4.615 0.092 20 0 "[ . 1 . 2 .]" 1
1014 1 45 ALA HA 1 45 ALA MB 2.079 . 2.619 2.134 2.129 2.141 . 0 0 "[ . 1 . 2 .]" 1
1015 1 45 ALA HA 1 46 HIS H 2.382 . 3.091 2.255 2.176 2.499 . 0 0 "[ . 1 . 2 .]" 1
1016 1 45 ALA MB 1 46 HIS H 2.340 . 3.024 2.798 2.258 3.037 0.013 21 0 "[ . 1 . 2 .]" 1
1017 1 45 ALA MB 1 49 PHE QD 2.622 . 3.481 3.446 2.971 3.652 0.171 1 0 "[ . 1 . 2 .]" 1
1018 1 45 ALA MB 1 50 LEU QD 2.056 . 2.536 1.794 1.629 1.979 . 0 0 "[ . 1 . 2 .]" 1
1019 1 45 ALA MB 1 84 LEU HA 2.434 . 3.175 2.447 1.838 2.849 . 0 0 "[ . 1 . 2 .]" 1
1020 1 45 ALA MB 1 84 LEU HB2 2.480 . 3.249 3.127 2.966 3.531 0.282 12 0 "[ . 1 . 2 .]" 1
1021 1 45 ALA MB 1 84 LEU MD2 2.033 . 2.549 2.413 2.236 2.578 0.029 8 0 "[ . 1 . 2 .]" 1
1022 1 45 ALA MB 1 88 SER H 2.943 . 4.025 3.995 3.847 4.163 0.138 20 0 "[ . 1 . 2 .]" 1
1023 1 45 ALA MB 1 88 SER QB 2.805 . 3.741 2.642 1.847 3.307 . 0 0 "[ . 1 . 2 .]" 1
1024 1 46 HIS H 1 46 HIS HA 2.720 . 3.645 2.841 2.774 2.925 . 0 0 "[ . 1 . 2 .]" 1
1025 1 46 HIS H 1 46 HIS HB2 2.467 . 3.228 2.401 2.267 2.570 . 0 0 "[ . 1 . 2 .]" 1
1026 1 46 HIS H 1 47 SER H 3.594 . 5.209 4.545 4.455 4.603 . 0 0 "[ . 1 . 2 .]" 1
1027 1 46 HIS H 1 88 SER QB 3.271 . 4.608 1.932 1.809 2.222 0.125 1 0 "[ . 1 . 2 .]" 1
1028 1 46 HIS H 1 89 ALA H 2.986 . 4.101 2.706 1.842 3.338 0.029 21 0 "[ . 1 . 2 .]" 1
1029 1 46 HIS H 1 89 ALA MB 2.679 . 3.576 2.688 1.972 3.836 0.260 21 0 "[ . 1 . 2 .]" 1
1030 1 46 HIS HA 1 46 HIS HB2 2.368 . 3.069 2.573 2.510 2.605 . 0 0 "[ . 1 . 2 .]" 1
1031 1 46 HIS HA 1 46 HIS HD2 2.507 . 3.293 3.289 3.232 3.346 0.053 20 0 "[ . 1 . 2 .]" 1
1032 1 46 HIS HA 1 47 SER H 2.618 . 3.475 2.157 2.105 2.243 . 0 0 "[ . 1 . 2 .]" 1
1033 1 46 HIS HA 1 89 ALA MB 2.355 . 3.048 3.363 2.924 4.109 1.061 21 4 "[ . 1 * . * 2+ - .]" 1
1034 1 46 HIS QB 1 89 ALA H 3.491 . 5.015 1.714 1.413 2.269 0.554 9 2 "[ . +1 . - 2 .]" 1
1035 1 46 HIS QB 1 89 ALA HA 2.627 . 3.490 2.846 2.032 3.506 0.016 18 0 "[ . 1 . 2 .]" 1
1036 1 46 HIS QB 1 89 ALA MB 2.444 . 3.191 2.060 1.670 2.562 0.027 9 0 "[ . 1 . 2 .]" 1
1037 1 46 HIS HB2 1 46 HIS HD2 2.682 . 3.581 2.752 2.719 2.785 . 0 0 "[ . 1 . 2 .]" 1
1038 1 46 HIS HB2 1 47 SER H 3.253 . 4.575 4.236 4.080 4.378 . 0 0 "[ . 1 . 2 .]" 1
1039 1 46 HIS HB2 1 48 LEU H 3.631 . 5.279 4.606 4.441 4.776 . 0 0 "[ . 1 . 2 .]" 1
1040 1 46 HIS HB2 1 89 ALA HA 2.584 . 3.419 2.908 2.043 3.620 0.201 18 0 "[ . 1 . 2 .]" 1
1041 1 46 HIS HD2 1 89 ALA H 2.900 . 3.952 3.777 3.436 3.964 0.012 25 0 "[ . 1 . 2 .]" 1
1042 1 46 HIS HD2 1 89 ALA MB 2.677 . 3.573 3.148 2.048 3.679 0.106 24 0 "[ . 1 . 2 .]" 1
1043 1 46 HIS HE1 1 48 LEU H 2.815 . 3.806 3.503 3.121 3.802 . 0 0 "[ . 1 . 2 .]" 1
1044 1 46 HIS HE1 1 48 LEU MD1 2.266 . 2.908 2.307 1.948 3.754 0.846 19 1 "[ . 1 . +2 .]" 1
1045 1 46 HIS HE1 1 48 LEU MD2 2.611 . 3.463 3.499 2.139 3.636 0.173 15 0 "[ . 1 . 2 .]" 1
1046 1 46 HIS HE1 1 48 LEU HG 2.208 . 2.817 1.964 1.731 2.133 . 0 0 "[ . 1 . 2 .]" 1
1047 1 47 SER H 1 48 LEU H 3.320 . 4.698 2.792 2.634 2.976 . 0 0 "[ . 1 . 2 .]" 1
1048 1 47 SER H 1 89 ALA MB 3.554 . 5.133 5.101 4.853 5.289 0.156 12 0 "[ . 1 . 2 .]" 1
1049 1 48 LEU H 1 48 LEU HA 2.651 . 3.530 2.846 2.816 2.874 . 0 0 "[ . 1 . 2 .]" 1
1050 1 48 LEU H 1 48 LEU HB2 2.392 . 3.107 2.281 2.138 2.345 . 0 0 "[ . 1 . 2 .]" 1
1051 1 48 LEU H 1 48 LEU HB3 2.589 . 3.427 3.537 3.448 3.557 0.130 7 0 "[ . 1 . 2 .]" 1
1052 1 48 LEU H 1 48 LEU QD 2.790 . 3.763 3.225 2.150 3.369 . 0 0 "[ . 1 . 2 .]" 1
1053 1 48 LEU H 1 48 LEU HG 2.516 . 3.307 2.779 2.543 3.711 0.404 19 0 "[ . 1 . 2 .]" 1
1054 1 48 LEU H 1 49 PHE H 2.770 . 3.729 2.673 2.468 2.795 . 0 0 "[ . 1 . 2 .]" 1
1055 1 48 LEU H 1 49 PHE HB3 3.676 . 5.365 4.638 4.466 4.837 . 0 0 "[ . 1 . 2 .]" 1
1056 1 48 LEU H 1 88 SER QB 3.199 . 4.478 4.337 4.098 4.463 . 0 0 "[ . 1 . 2 .]" 1
1057 1 48 LEU HA 1 48 LEU HB2 2.406 . 3.130 2.989 2.947 3.003 . 0 0 "[ . 1 . 2 .]" 1
1058 1 48 LEU HA 1 48 LEU HB3 2.287 . 2.941 2.574 2.531 2.628 . 0 0 "[ . 1 . 2 .]" 1
1059 1 48 LEU HA 1 48 LEU MD2 1.870 . 2.307 1.769 1.672 2.245 . 0 0 "[ . 1 . 2 .]" 1
1060 1 48 LEU HA 1 48 LEU HG 2.425 . 3.160 3.010 2.905 3.557 0.397 19 0 "[ . 1 . 2 .]" 1
1061 1 48 LEU HA 1 51 ALA H 2.854 . 3.872 3.312 3.169 3.510 . 0 0 "[ . 1 . 2 .]" 1
1062 1 48 LEU HA 1 51 ALA H 2.751 . 3.697 3.507 3.395 3.677 . 0 0 "[ . 1 . 2 .]" 1
1063 1 48 LEU HA 1 51 ALA MB 2.318 . 2.990 2.916 2.783 3.019 0.029 12 0 "[ . 1 . 2 .]" 1
1064 1 48 LEU HB2 1 49 PHE H 2.736 . 3.672 2.538 2.404 2.687 . 0 0 "[ . 1 . 2 .]" 1
1065 1 48 LEU HB3 1 48 LEU QD 1.994 . 2.491 2.122 2.110 2.233 . 0 0 "[ . 1 . 2 .]" 1
1066 1 48 LEU HB3 1 48 LEU MD2 1.974 . 2.461 2.482 2.426 3.213 0.752 19 1 "[ . 1 . +2 .]" 1
1067 1 48 LEU HB3 1 48 LEU MD2 1.848 . 2.275 1.577 1.490 1.703 . 0 0 "[ . 1 . 2 .]" 1
1068 1 48 LEU HB3 1 49 PHE H 2.480 . 3.249 3.224 3.038 3.301 0.052 6 0 "[ . 1 . 2 .]" 1
1069 1 48 LEU QD 1 48 LEU HG 1.976 . 2.464 1.895 1.883 1.897 . 0 0 "[ . 1 . 2 .]" 1
1070 1 48 LEU MD2 1 48 LEU HG 1.805 . 2.212 2.129 2.111 2.132 . 0 0 "[ . 1 . 2 .]" 1
1071 1 48 LEU MD2 1 49 PHE H 3.259 . 4.586 4.532 4.110 4.583 . 0 0 "[ . 1 . 2 .]" 1
1072 1 48 LEU MD2 1 51 ALA H 3.634 . 5.285 4.453 4.380 4.607 . 0 0 "[ . 1 . 2 .]" 1
1073 1 48 LEU MD2 1 51 ALA MB 2.559 . 3.377 3.474 3.328 4.076 0.699 19 1 "[ . 1 . +2 .]" 1
1074 1 49 PHE H 1 49 PHE HA 2.738 . 3.675 2.816 2.777 2.840 . 0 0 "[ . 1 . 2 .]" 1
1075 1 49 PHE H 1 49 PHE HB2 2.807 . 3.792 2.814 2.577 3.314 . 0 0 "[ . 1 . 2 .]" 1
1076 1 49 PHE H 1 49 PHE HB3 2.844 . 3.855 2.337 2.121 2.443 . 0 0 "[ . 1 . 2 .]" 1
1077 1 49 PHE H 1 49 PHE QD 3.151 . 4.392 4.112 3.607 4.198 . 0 0 "[ . 1 . 2 .]" 1
1078 1 49 PHE H 1 50 LEU H 2.685 . 3.586 2.669 2.566 2.894 . 0 0 "[ . 1 . 2 .]" 1
1079 1 49 PHE H 1 88 SER QB 3.359 . 4.769 3.322 2.747 3.928 . 0 0 "[ . 1 . 2 .]" 1
1080 1 49 PHE HA 1 49 PHE HB2 2.681 . 3.579 2.353 2.218 2.422 . 0 0 "[ . 1 . 2 .]" 1
1081 1 49 PHE HA 1 49 PHE HB3 2.690 . 3.594 2.999 2.849 3.022 . 0 0 "[ . 1 . 2 .]" 1
1082 1 49 PHE HA 1 49 PHE QD 2.642 . 3.515 2.601 2.364 3.114 . 0 0 "[ . 1 . 2 .]" 1
1083 1 49 PHE HA 1 54 GLU HB3 2.884 . 3.924 3.555 3.415 3.650 . 0 0 "[ . 1 . 2 .]" 1
1084 1 49 PHE HB2 1 49 PHE HD2 2.926 . 3.996 3.473 3.386 3.548 . 0 0 "[ . 1 . 2 .]" 1
1085 1 49 PHE HB2 1 50 LEU H 3.316 . 4.691 4.005 3.916 4.291 . 0 0 "[ . 1 . 2 .]" 1
1086 1 49 PHE HB3 1 49 PHE HD2 3.078 . 4.262 2.296 2.272 2.360 . 0 0 "[ . 1 . 2 .]" 1
1087 1 49 PHE HB3 1 50 LEU H 3.265 . 4.597 2.710 2.498 3.360 . 0 0 "[ . 1 . 2 .]" 1
1088 1 49 PHE QD 1 50 LEU H 3.374 . 4.797 3.459 3.219 3.722 . 0 0 "[ . 1 . 2 .]" 1
1089 1 49 PHE QD 1 50 LEU QD 2.767 . 3.724 2.398 2.071 2.799 . 0 0 "[ . 1 . 2 .]" 1
1090 1 49 PHE QE 1 54 GLU QG 2.909 . 3.967 1.992 1.659 2.701 0.192 3 0 "[ . 1 . 2 .]" 1
1091 1 49 PHE QE 1 55 PHE H 3.197 . 4.474 3.547 3.070 3.995 . 0 0 "[ . 1 . 2 .]" 1
1092 1 49 PHE QE 1 55 PHE HD1 2.982 . 4.094 2.825 2.219 3.215 . 0 0 "[ . 1 . 2 .]" 1
1093 1 49 PHE QE 1 58 ILE MD 2.599 . 3.444 3.282 2.191 3.457 0.013 22 0 "[ . 1 . 2 .]" 1
1094 1 49 PHE QE 1 84 LEU MD2 2.469 . 3.231 2.850 2.312 3.247 0.016 10 0 "[ . 1 . 2 .]" 1
1095 1 49 PHE HE2 1 50 LEU QD 2.808 . 3.794 3.180 2.389 3.740 . 0 0 "[ . 1 . 2 .]" 1
1096 1 49 PHE HE2 1 83 VAL QG 2.245 . 2.875 2.235 1.887 3.282 0.407 23 0 "[ . 1 . 2 .]" 1
1097 1 49 PHE HE2 1 84 LEU MD2 3.099 . 4.299 2.855 2.319 3.253 . 0 0 "[ . 1 . 2 .]" 1
1098 1 49 PHE HZ 1 58 ILE MD 2.434 . 3.175 2.976 2.568 3.271 0.096 8 0 "[ . 1 . 2 .]" 1
1099 1 49 PHE HZ 1 58 ILE MG 3.090 . 4.284 3.833 3.566 4.059 . 0 0 "[ . 1 . 2 .]" 1
1100 1 49 PHE HZ 1 83 VAL QG 2.170 . 2.759 2.148 1.535 2.507 0.228 8 0 "[ . 1 . 2 .]" 1
1101 1 50 LEU H 1 50 LEU HA 2.812 . 3.800 2.789 2.741 2.825 . 0 0 "[ . 1 . 2 .]" 1
1102 1 50 LEU H 1 50 LEU HB2 2.739 . 3.677 2.685 2.630 2.755 . 0 0 "[ . 1 . 2 .]" 1
1103 1 50 LEU H 1 50 LEU HB3 2.990 . 4.108 3.555 3.541 3.598 . 0 0 "[ . 1 . 2 .]" 1
1104 1 50 LEU H 1 50 LEU QD 2.577 . 3.407 2.639 1.673 2.811 0.128 8 0 "[ . 1 . 2 .]" 1
1105 1 50 LEU H 1 50 LEU HG 2.572 . 3.399 1.998 1.773 3.737 0.338 6 0 "[ . 1 . 2 .]" 1
1106 1 50 LEU H 1 51 ALA H 2.722 . 3.648 2.749 2.582 2.903 . 0 0 "[ . 1 . 2 .]" 1
1107 1 50 LEU H 1 88 SER QB 3.065 . 4.239 3.660 3.125 4.255 0.016 8 0 "[ . 1 . 2 .]" 1
1108 1 50 LEU HA 1 50 LEU HB2 2.805 . 3.788 3.011 3.003 3.020 . 0 0 "[ . 1 . 2 .]" 1
1109 1 50 LEU HA 1 50 LEU HB3 2.695 . 3.603 2.384 2.356 2.421 . 0 0 "[ . 1 . 2 .]" 1
1110 1 50 LEU HA 1 50 LEU QD 2.146 . 2.722 2.136 2.024 2.259 . 0 0 "[ . 1 . 2 .]" 1
1111 1 50 LEU HA 1 51 ALA H 3.271 . 4.608 3.505 3.411 3.597 . 0 0 "[ . 1 . 2 .]" 1
1112 1 50 LEU HA 1 52 SER H 3.398 . 4.841 3.793 3.582 4.135 . 0 0 "[ . 1 . 2 .]" 1
1113 1 50 LEU HA 1 55 PHE QD 2.778 . 3.743 2.394 2.176 2.657 . 0 0 "[ . 1 . 2 .]" 1
1114 1 50 LEU HA 1 55 PHE HD1 3.095 . 4.293 4.321 4.206 4.414 0.121 1 0 "[ . 1 . 2 .]" 1
1115 1 50 LEU HA 1 55 PHE QE 3.130 . 4.355 3.539 3.239 3.827 . 0 0 "[ . 1 . 2 .]" 1
1116 1 50 LEU HB2 1 50 LEU QD 2.900 . 3.952 2.250 2.073 2.293 . 0 0 "[ . 1 . 2 .]" 1
1117 1 50 LEU HB2 1 50 LEU QD 2.161 . 2.745 1.853 1.801 1.871 . 0 0 "[ . 1 . 2 .]" 1
1118 1 50 LEU HB3 1 50 LEU QD 2.814 . 3.804 2.163 2.105 2.573 . 0 0 "[ . 1 . 2 .]" 1
1119 1 50 LEU HB3 1 51 ALA H 2.801 . 3.782 3.538 3.366 3.924 0.142 8 0 "[ . 1 . 2 .]" 1
1120 1 50 LEU HB3 1 51 ALA H 3.036 . 4.188 3.886 3.613 4.198 0.010 19 0 "[ . 1 . 2 .]" 1
1121 1 50 LEU MD1 1 50 LEU MD2 1.851 . 2.279 2.079 2.063 2.094 . 0 0 "[ . 1 . 2 .]" 1
1122 1 50 LEU QD 1 51 ALA H 3.280 . 4.625 3.967 3.377 4.163 . 0 0 "[ . 1 . 2 .]" 1
1123 1 50 LEU QD 1 55 PHE QD 2.545 . 3.355 3.178 3.001 3.310 . 0 0 "[ . 1 . 2 .]" 1
1124 1 50 LEU QD 1 55 PHE HD1 3.148 . 4.387 3.785 3.517 3.885 . 0 0 "[ . 1 . 2 .]" 1
1125 1 50 LEU QD 1 55 PHE HZ 2.703 . 3.616 3.517 3.288 3.617 0.001 10 0 "[ . 1 . 2 .]" 1
1126 1 50 LEU QD 1 55 PHE HZ 2.748 . 3.692 2.692 2.616 2.752 . 0 0 "[ . 1 . 2 .]" 1
1127 1 50 LEU QD 1 88 SER QB 3.209 . 4.496 3.084 2.695 3.231 . 0 0 "[ . 1 . 2 .]" 1
1128 1 50 LEU QD 1 88 SER QB 2.801 . 3.782 3.095 2.700 3.246 . 0 0 "[ . 1 . 2 .]" 1
1129 1 51 ALA H 1 51 ALA HA 2.654 . 3.534 2.909 2.856 2.948 . 0 0 "[ . 1 . 2 .]" 1
1130 1 51 ALA H 1 51 ALA MB 2.041 . 2.562 2.313 2.244 2.394 . 0 0 "[ . 1 . 2 .]" 1
1131 1 51 ALA H 1 52 SER H 2.620 . 3.478 3.140 2.506 3.636 0.158 22 0 "[ . 1 . 2 .]" 1
1132 1 51 ALA HA 1 51 ALA MB 2.016 . 2.524 2.126 2.120 2.132 . 0 0 "[ . 1 . 2 .]" 1
1133 1 51 ALA HA 1 52 SER H 2.575 . 3.404 2.780 2.484 3.107 . 0 0 "[ . 1 . 2 .]" 1
1134 1 51 ALA MB 1 52 SER H 2.780 . 3.746 3.661 3.474 3.730 . 0 0 "[ . 1 . 2 .]" 1
1135 1 52 SER H 1 54 GLU H 3.419 . 4.880 4.047 3.770 4.496 . 0 0 "[ . 1 . 2 .]" 1
1136 1 52 SER H 1 55 PHE HB2 3.402 . 4.849 4.063 3.579 4.339 . 0 0 "[ . 1 . 2 .]" 1
1137 1 52 SER H 1 55 PHE HB3 3.527 . 5.082 3.312 3.071 3.660 . 0 0 "[ . 1 . 2 .]" 1
1138 1 52 SER HA 1 53 ALA H 2.532 . 3.333 2.355 2.194 2.530 . 0 0 "[ . 1 . 2 .]" 1
1139 1 52 SER HA 1 54 GLU H 2.965 . 4.064 4.020 3.731 4.171 0.107 4 0 "[ . 1 . 2 .]" 1
1140 1 52 SER QB 1 53 ALA H 2.699 . 3.609 2.841 2.224 3.609 . 0 0 "[ . 1 . 2 .]" 1
1141 1 52 SER QB 1 54 GLU H 2.695 . 3.603 2.764 2.314 3.172 . 0 0 "[ . 1 . 2 .]" 1
1142 1 53 ALA H 1 53 ALA HA 2.750 . 3.695 2.824 2.747 2.877 . 0 0 "[ . 1 . 2 .]" 1
1143 1 53 ALA H 1 53 ALA MB 2.089 . 2.634 2.226 2.199 2.254 . 0 0 "[ . 1 . 2 .]" 1
1144 1 53 ALA H 1 54 GLU H 2.815 . 3.806 2.531 2.323 2.835 . 0 0 "[ . 1 . 2 .]" 1
1145 1 53 ALA HA 1 53 ALA MB 1.974 . 2.461 2.124 2.117 2.132 . 0 0 "[ . 1 . 2 .]" 1
1146 1 53 ALA HA 1 54 GLU H 3.052 . 4.216 3.447 3.418 3.472 . 0 0 "[ . 1 . 2 .]" 1
1147 1 53 ALA HA 1 56 CYS H 2.855 . 3.874 3.292 2.896 3.708 . 0 0 "[ . 1 . 2 .]" 1
1148 1 53 ALA HA 1 56 CYS HB2 2.742 . 3.682 2.834 2.172 3.608 . 0 0 "[ . 1 . 2 .]" 1
1149 1 53 ALA HA 1 56 CYS HB3 2.774 . 3.736 2.509 2.066 3.740 0.004 6 0 "[ . 1 . 2 .]" 1
1150 1 53 ALA MB 1 54 GLU H 2.276 . 2.924 2.789 2.685 2.917 . 0 0 "[ . 1 . 2 .]" 1
1151 1 53 ALA MB 1 54 GLU HA 2.747 . 3.690 3.800 3.709 3.884 0.194 20 0 "[ . 1 . 2 .]" 1
1152 1 53 ALA MB 1 54 GLU HB3 3.690 . 5.392 3.981 3.671 4.175 . 0 0 "[ . 1 . 2 .]" 1
1153 1 53 ALA MB 1 56 CYS H 3.280 . 4.625 4.110 3.853 4.318 . 0 0 "[ . 1 . 2 .]" 1
1154 1 53 ALA MB 1 56 CYS HB3 2.945 . 4.029 3.525 3.091 4.403 0.374 6 0 "[ . 1 . 2 .]" 1
1155 1 53 ALA MB 1 57 ASN HD21 3.280 . 4.625 3.630 2.994 4.630 0.005 14 0 "[ . 1 . 2 .]" 1
1156 1 53 ALA MB 1 57 ASN HD22 3.355 . 4.762 3.452 2.904 3.864 . 0 0 "[ . 1 . 2 .]" 1
1157 1 54 GLU H 1 54 GLU HA 2.639 . 3.509 2.782 2.752 2.821 . 0 0 "[ . 1 . 2 .]" 1
1158 1 54 GLU H 1 54 GLU HB2 2.377 . 3.083 2.520 2.373 2.676 . 0 0 "[ . 1 . 2 .]" 1
1159 1 54 GLU H 1 54 GLU HB3 2.547 . 3.358 2.496 2.415 2.615 . 0 0 "[ . 1 . 2 .]" 1
1160 1 54 GLU H 1 55 PHE H 2.847 . 3.860 2.796 2.635 2.948 . 0 0 "[ . 1 . 2 .]" 1
1161 1 54 GLU H 1 56 CYS H 3.171 . 4.428 3.956 3.641 4.183 . 0 0 "[ . 1 . 2 .]" 1
1162 1 54 GLU HA 1 55 PHE H 3.093 . 4.289 3.555 3.523 3.573 . 0 0 "[ . 1 . 2 .]" 1
1163 1 54 GLU HB2 1 55 PHE H 3.010 . 4.142 3.758 3.560 3.897 . 0 0 "[ . 1 . 2 .]" 1
1164 1 54 GLU HB3 1 54 GLU QG 2.111 . 2.503 2.251 2.152 2.322 . 0 0 "[ . 1 . 2 .]" 1
1165 1 54 GLU HB3 1 55 PHE H 2.647 . 3.523 2.363 2.106 2.562 . 0 0 "[ . 1 . 2 .]" 1
1166 1 54 GLU HB3 1 57 ASN H 3.171 . 4.428 4.323 4.222 4.393 . 0 0 "[ . 1 . 2 .]" 1
1167 1 54 GLU QG 1 55 PHE H 2.776 . 3.739 3.338 3.052 3.581 . 0 0 "[ . 1 . 2 .]" 1
1168 1 54 GLU QG 1 58 ILE MD 2.243 . 2.872 2.393 1.998 2.823 . 0 0 "[ . 1 . 2 .]" 1
1169 1 55 PHE H 1 55 PHE HA 2.938 . 4.017 2.830 2.818 2.850 . 0 0 "[ . 1 . 2 .]" 1
1170 1 55 PHE H 1 55 PHE HB2 2.860 . 3.882 2.463 2.341 2.512 . 0 0 "[ . 1 . 2 .]" 1
1171 1 55 PHE H 1 55 PHE HB3 3.015 . 4.151 2.605 2.506 2.700 . 0 0 "[ . 1 . 2 .]" 1
1172 1 55 PHE H 1 55 PHE HD1 3.232 . 4.538 4.459 4.335 4.526 . 0 0 "[ . 1 . 2 .]" 1
1173 1 55 PHE H 1 56 CYS H 2.812 . 3.800 2.594 2.496 2.694 . 0 0 "[ . 1 . 2 .]" 1
1174 1 55 PHE H 1 58 ILE MD 3.316 . 4.691 4.056 3.638 4.285 . 0 0 "[ . 1 . 2 .]" 1
1175 1 55 PHE HA 1 55 PHE HD1 2.488 . 3.262 2.047 1.813 2.196 . 0 0 "[ . 1 . 2 .]" 1
1176 1 55 PHE HA 1 58 ILE H 2.929 . 4.002 2.935 2.856 2.999 . 0 0 "[ . 1 . 2 .]" 1
1177 1 55 PHE HA 1 58 ILE HB 2.904 . 3.958 2.194 2.081 2.306 . 0 0 "[ . 1 . 2 .]" 1
1178 1 55 PHE HA 1 58 ILE HB 2.197 . 2.800 2.066 1.981 2.228 . 0 0 "[ . 1 . 2 .]" 1
1179 1 55 PHE HA 1 58 ILE MD 2.397 . 3.115 2.432 2.092 2.632 . 0 0 "[ . 1 . 2 .]" 1
1180 1 55 PHE HA 1 58 ILE MG 2.586 . 3.422 3.457 3.278 3.531 0.109 18 0 "[ . 1 . 2 .]" 1
1181 1 55 PHE HB2 1 55 PHE HD1 3.160 . 4.408 2.865 2.759 3.039 . 0 0 "[ . 1 . 2 .]" 1
1182 1 55 PHE HB3 1 55 PHE HD1 3.075 . 4.257 3.712 3.671 3.725 . 0 0 "[ . 1 . 2 .]" 1
1183 1 55 PHE QD 1 58 ILE H 3.334 . 4.723 4.479 4.245 4.610 . 0 0 "[ . 1 . 2 .]" 1
1184 1 55 PHE QD 1 58 ILE HB 2.953 . 4.043 2.646 2.396 2.774 . 0 0 "[ . 1 . 2 .]" 1
1185 1 55 PHE QD 1 58 ILE MD 2.530 . 3.330 3.320 2.440 3.412 0.082 13 0 "[ . 1 . 2 .]" 1
1186 1 55 PHE QD 1 58 ILE MG 2.544 . 3.353 2.552 2.388 2.626 . 0 0 "[ . 1 . 2 .]" 1
1187 1 55 PHE QD 1 59 LEU QD 2.868 . 3.896 2.916 2.775 3.048 . 0 0 "[ . 1 . 2 .]" 1
1188 1 55 PHE QD 1 83 VAL QG 2.590 . 3.428 2.390 2.187 2.615 . 0 0 "[ . 1 . 2 .]" 1
1189 1 55 PHE QE 1 58 ILE MG 2.631 . 3.496 2.318 2.160 2.468 . 0 0 "[ . 1 . 2 .]" 1
1190 1 55 PHE QE 1 59 LEU QD 2.541 . 3.348 2.334 2.208 2.500 . 0 0 "[ . 1 . 2 .]" 1
1191 1 55 PHE QE 1 83 VAL QG 2.595 . 3.437 2.198 2.108 2.402 . 0 0 "[ . 1 . 2 .]" 1
1192 1 55 PHE HE1 1 80 LEU MD1 2.160 . 2.743 2.012 1.877 2.122 . 0 0 "[ . 1 . 2 .]" 1
1193 1 55 PHE HZ 1 59 LEU QD 2.755 . 3.703 2.797 2.688 2.881 . 0 0 "[ . 1 . 2 .]" 1
1194 1 55 PHE HZ 1 80 LEU QD 2.762 . 3.715 2.419 2.285 2.571 . 0 0 "[ . 1 . 2 .]" 1
1195 1 55 PHE HZ 1 84 LEU MD2 2.558 . 3.376 2.013 1.946 2.155 . 0 0 "[ . 1 . 2 .]" 1
1196 1 56 CYS H 1 56 CYS HA 2.691 . 3.596 2.784 2.742 2.830 . 0 0 "[ . 1 . 2 .]" 1
1197 1 56 CYS H 1 56 CYS HB2 2.666 . 3.554 2.513 2.385 2.628 . 0 0 "[ . 1 . 2 .]" 1
1198 1 56 CYS H 1 56 CYS HB3 2.659 . 3.542 2.606 2.444 3.575 0.033 6 0 "[ . 1 . 2 .]" 1
1199 1 56 CYS H 1 57 ASN H 2.726 . 3.655 2.798 2.644 2.962 . 0 0 "[ . 1 . 2 .]" 1
1200 1 56 CYS H 1 58 ILE H 3.283 . 4.631 4.252 4.100 4.437 . 0 0 "[ . 1 . 2 .]" 1
1201 1 56 CYS HA 1 56 CYS HB2 2.807 . 3.792 2.481 2.396 3.008 . 0 0 "[ . 1 . 2 .]" 1
1202 1 56 CYS HA 1 56 CYS HB3 2.961 . 4.057 3.009 2.571 3.031 . 0 0 "[ . 1 . 2 .]" 1
1203 1 56 CYS HA 1 57 ASN H 2.804 . 3.787 3.558 3.536 3.578 . 0 0 "[ . 1 . 2 .]" 1
1204 1 56 CYS HA 1 59 LEU H 2.932 . 4.007 3.186 3.119 3.271 . 0 0 "[ . 1 . 2 .]" 1
1205 1 56 CYS HA 1 59 LEU QD 2.725 . 3.653 3.105 2.862 3.322 . 0 0 "[ . 1 . 2 .]" 1
1206 1 56 CYS HB2 1 57 ASN H 3.106 . 4.312 3.803 2.641 3.917 . 0 0 "[ . 1 . 2 .]" 1
1207 1 56 CYS HB3 1 57 ASN H 2.766 . 3.723 2.568 2.423 3.429 . 0 0 "[ . 1 . 2 .]" 1
1208 1 57 ASN H 1 57 ASN HA 2.328 . 3.005 2.808 2.788 2.826 . 0 0 "[ . 1 . 2 .]" 1
1209 1 57 ASN H 1 57 ASN HB2 2.329 . 3.007 2.372 2.257 2.553 . 0 0 "[ . 1 . 2 .]" 1
1210 1 57 ASN H 1 58 ILE H 2.668 . 3.558 2.767 2.680 2.843 . 0 0 "[ . 1 . 2 .]" 1
1211 1 57 ASN HA 1 57 ASN HB2 2.428 . 3.165 3.009 2.985 3.025 . 0 0 "[ . 1 . 2 .]" 1
1212 1 57 ASN HA 1 57 ASN HB3 2.221 . 2.838 2.572 2.484 2.645 . 0 0 "[ . 1 . 2 .]" 1
1213 1 57 ASN HA 1 57 ASN HD22 3.271 . 4.608 4.248 3.639 4.645 0.037 12 0 "[ . 1 . 2 .]" 1
1214 1 57 ASN HA 1 60 SER H 3.008 . 4.139 3.810 3.620 4.125 . 0 0 "[ . 1 . 2 .]" 1
1215 1 57 ASN HA 1 61 ARG QG 2.538 . 3.343 3.370 3.265 3.428 0.085 16 0 "[ . 1 . 2 .]" 1
1216 1 57 ASN HB2 1 57 ASN HD21 2.536 . 3.340 2.276 2.172 2.812 . 0 0 "[ . 1 . 2 .]" 1
1217 1 57 ASN HB2 1 57 ASN HD22 2.681 . 3.579 3.503 3.450 3.704 0.125 24 0 "[ . 1 . 2 .]" 1
1218 1 57 ASN HB2 1 58 ILE H 2.726 . 3.655 2.388 2.266 2.482 . 0 0 "[ . 1 . 2 .]" 1
1219 1 57 ASN HB2 1 58 ILE HB 3.012 . 4.146 4.263 4.137 4.343 0.197 23 0 "[ . 1 . 2 .]" 1
1220 1 57 ASN HB3 1 57 ASN HD21 2.711 . 3.630 3.388 2.874 3.537 . 0 0 "[ . 1 . 2 .]" 1
1221 1 57 ASN HB3 1 58 ILE H 2.609 . 3.460 3.174 2.971 3.410 . 0 0 "[ . 1 . 2 .]" 1
1222 1 58 ILE H 1 58 ILE HA 2.580 . 3.412 2.753 2.743 2.762 . 0 0 "[ . 1 . 2 .]" 1
1223 1 58 ILE H 1 58 ILE HB 2.399 . 3.119 2.166 2.120 2.201 . 0 0 "[ . 1 . 2 .]" 1
1224 1 58 ILE H 1 58 ILE MD 2.355 . 3.048 2.168 2.077 2.897 . 0 0 "[ . 1 . 2 .]" 1
1225 1 58 ILE H 1 58 ILE MG 2.724 . 3.651 3.610 3.576 3.634 . 0 0 "[ . 1 . 2 .]" 1
1226 1 58 ILE H 1 59 LEU H 2.747 . 3.690 2.889 2.859 2.918 . 0 0 "[ . 1 . 2 .]" 1
1227 1 58 ILE HA 1 58 ILE HB 2.264 . 2.905 2.946 2.929 2.956 0.051 8 0 "[ . 1 . 2 .]" 1
1228 1 58 ILE HA 1 58 ILE MD 2.458 . 3.213 2.721 2.552 3.577 0.364 23 0 "[ . 1 . 2 .]" 1
1229 1 58 ILE HA 1 58 ILE HG12 2.706 . 3.621 3.479 2.826 3.539 . 0 0 "[ . 1 . 2 .]" 1
1230 1 58 ILE HA 1 58 ILE MG 2.169 . 2.757 2.745 2.697 2.787 0.030 7 0 "[ . 1 . 2 .]" 1
1231 1 58 ILE HA 1 59 LEU H 2.840 . 3.848 2.696 2.682 2.707 . 0 0 "[ . 1 . 2 .]" 1
1232 1 58 ILE HA 1 59 LEU H 2.755 . 3.703 3.268 3.231 3.299 . 0 0 "[ . 1 . 2 .]" 1
1233 1 58 ILE HA 1 61 ARG H 3.181 . 4.446 3.608 3.483 3.697 . 0 0 "[ . 1 . 2 .]" 1
1234 1 58 ILE HA 1 61 ARG H 2.927 . 3.998 3.899 3.765 4.017 0.019 8 0 "[ . 1 . 2 .]" 1
1235 1 58 ILE HB 1 58 ILE MD 1.884 . 2.328 2.271 2.126 2.321 . 0 0 "[ . 1 . 2 .]" 1
1236 1 58 ILE HB 1 58 ILE HG12 2.254 . 2.889 2.592 2.537 2.932 0.043 23 0 "[ . 1 . 2 .]" 1
1237 1 58 ILE HB 1 58 ILE MG 1.936 . 2.405 2.119 2.110 2.128 . 0 0 "[ . 1 . 2 .]" 1
1238 1 58 ILE HB 1 59 LEU H 2.580 . 3.412 2.579 2.483 2.635 . 0 0 "[ . 1 . 2 .]" 1
1239 1 58 ILE HB 1 83 VAL QG 2.309 . 2.975 2.891 2.750 2.962 . 0 0 "[ . 1 . 2 .]" 1
1240 1 58 ILE MD 1 59 LEU H 2.942 . 4.024 4.160 4.122 4.209 0.185 23 0 "[ . 1 . 2 .]" 1
1241 1 58 ILE HG12 1 58 ILE MG 1.876 . 2.316 2.203 2.127 2.234 . 0 0 "[ . 1 . 2 .]" 1
1242 1 58 ILE MG 1 59 LEU H 2.394 . 3.110 2.410 2.348 2.483 . 0 0 "[ . 1 . 2 .]" 1
1243 1 58 ILE MG 1 61 ARG H 3.271 . 4.608 4.215 4.143 4.298 . 0 0 "[ . 1 . 2 .]" 1
1244 1 58 ILE MG 1 62 VAL H 3.053 . 4.218 3.882 3.808 3.971 . 0 0 "[ . 1 . 2 .]" 1
1245 1 58 ILE MG 1 62 VAL MG1 2.221 . 2.838 2.765 2.656 2.952 0.114 24 0 "[ . 1 . 2 .]" 1
1246 1 58 ILE MG 1 80 LEU HA 2.959 . 4.054 2.885 2.738 3.016 . 0 0 "[ . 1 . 2 .]" 1
1247 1 58 ILE MG 1 80 LEU MD1 1.865 . 2.300 1.979 1.911 2.025 . 0 0 "[ . 1 . 2 .]" 1
1248 1 58 ILE MG 1 83 VAL HB 2.777 . 3.741 3.148 3.001 3.270 . 0 0 "[ . 1 . 2 .]" 1
1249 1 58 ILE MG 1 83 VAL QG 1.941 . 2.412 1.421 1.374 1.471 0.096 19 0 "[ . 1 . 2 .]" 1
1250 1 59 LEU H 1 59 LEU HA 2.706 . 3.621 2.795 2.779 2.809 . 0 0 "[ . 1 . 2 .]" 1
1251 1 59 LEU H 1 59 LEU HB2 2.536 . 3.340 2.181 2.152 2.210 . 0 0 "[ . 1 . 2 .]" 1
1252 1 59 LEU H 1 59 LEU HB3 2.499 . 3.280 3.484 3.465 3.502 0.222 24 0 "[ . 1 . 2 .]" 1
1253 1 59 LEU H 1 59 LEU QD 2.837 . 3.843 3.237 3.158 3.280 . 0 0 "[ . 1 . 2 .]" 1
1254 1 59 LEU H 1 59 LEU HG 2.936 . 4.013 2.764 2.664 2.859 . 0 0 "[ . 1 . 2 .]" 1
1255 1 59 LEU H 1 60 SER H 2.719 . 3.643 2.829 2.768 2.874 . 0 0 "[ . 1 . 2 .]" 1
1256 1 59 LEU H 1 83 VAL QG 3.000 . 4.125 3.803 3.723 3.848 . 0 0 "[ . 1 . 2 .]" 1
1257 1 59 LEU HA 1 59 LEU QD . . 2.677 1.937 1.873 2.049 . 0 0 "[ . 1 . 2 .]" 1
1258 1 59 LEU HA 1 60 SER H 3.081 . 4.268 3.555 3.538 3.563 . 0 0 "[ . 1 . 2 .]" 1
1259 1 59 LEU HA 1 62 VAL MG2 1.965 . 2.448 1.925 1.849 1.999 . 0 0 "[ . 1 . 2 .]" 1
1260 1 59 LEU HB2 1 59 LEU QD 2.567 . 3.391 2.204 2.169 2.232 . 0 0 "[ . 1 . 2 .]" 1
1261 1 59 LEU HB2 1 60 SER H 3.327 . 4.710 2.539 2.482 2.596 . 0 0 "[ . 1 . 2 .]" 1
1262 1 59 LEU HB3 1 59 LEU QD 2.797 . 3.715 2.090 2.078 2.111 . 0 0 "[ . 1 . 2 .]" 1
1263 1 59 LEU HB3 1 63 LEU H 2.545 . 3.354 3.511 3.451 3.547 0.193 12 0 "[ . 1 . 2 .]" 1
1264 1 59 LEU MD1 1 59 LEU MD2 1.953 . 2.430 2.068 2.060 2.078 . 0 0 "[ . 1 . 2 .]" 1
1265 1 59 LEU QD 1 60 SER H 3.184 . 4.451 3.936 3.897 3.967 . 0 0 "[ . 1 . 2 .]" 1
1266 1 59 LEU QD 1 63 LEU H 2.627 . 3.490 3.006 2.939 3.085 . 0 0 "[ . 1 . 2 .]" 1
1267 1 59 LEU QD 1 80 LEU MD1 1.850 . 2.278 2.127 2.007 2.231 . 0 0 "[ . 1 . 2 .]" 1
1268 1 59 LEU QD 1 80 LEU MD2 . . 2.262 2.007 1.865 2.134 . 0 0 "[ . 1 . 2 .]" 1
1269 1 60 SER H 1 60 SER HA 2.414 . 3.142 2.779 2.766 2.800 . 0 0 "[ . 1 . 2 .]" 1
1270 1 60 SER H 1 60 SER HB2 2.575 . 3.404 3.019 2.299 3.601 0.197 15 0 "[ . 1 . 2 .]" 1
1271 1 60 SER H 1 61 ARG H 2.741 . 3.680 2.701 2.610 2.751 . 0 0 "[ . 1 . 2 .]" 1
1272 1 60 SER HA 1 63 LEU HG 2.495 . 3.273 2.984 2.941 3.107 . 0 0 "[ . 1 . 2 .]" 1
1273 1 60 SER QB 1 61 ARG H 2.896 . 3.945 3.044 2.579 3.462 . 0 0 "[ . 1 . 2 .]" 1
1274 1 60 SER HB2 1 61 ARG H 2.803 . 3.785 3.736 2.795 4.068 0.283 21 0 "[ . 1 . 2 .]" 1
1275 1 61 ARG H 1 61 ARG HA 2.375 . 3.080 2.843 2.813 2.853 . 0 0 "[ . 1 . 2 .]" 1
1276 1 61 ARG H 1 61 ARG HB2 2.350 . 3.040 2.287 2.213 2.363 . 0 0 "[ . 1 . 2 .]" 1
1277 1 61 ARG H 1 61 ARG HB3 2.593 . 3.434 3.534 3.507 3.554 0.120 11 0 "[ . 1 . 2 .]" 1
1278 1 61 ARG H 1 61 ARG QD 3.262 . 4.592 3.765 2.199 4.455 . 0 0 "[ . 1 . 2 .]" 1
1279 1 61 ARG H 1 61 ARG QG 2.845 . 3.857 2.578 2.370 3.233 . 0 0 "[ . 1 . 2 .]" 1
1280 1 61 ARG H 1 62 VAL H 2.503 . 3.286 2.773 2.700 2.875 . 0 0 "[ . 1 . 2 .]" 1
1281 1 61 ARG H 1 62 VAL MG2 3.224 . 4.523 4.094 4.022 4.204 . 0 0 "[ . 1 . 2 .]" 1
1282 1 61 ARG HA 1 61 ARG QG 2.458 . 3.213 2.455 2.270 2.950 . 0 0 "[ . 1 . 2 .]" 1
1283 1 61 ARG HA 1 61 ARG QG 2.178 . 2.771 2.197 2.054 2.501 . 0 0 "[ . 1 . 2 .]" 1
1284 1 61 ARG HA 1 65 ARG H 2.837 . 3.843 3.344 3.310 3.383 . 0 0 "[ . 1 . 2 .]" 1
1285 1 61 ARG QB 1 62 VAL H 3.022 . 4.163 2.416 2.336 2.577 . 0 0 "[ . 1 . 2 .]" 1
1286 1 61 ARG HB2 1 61 ARG HD2 2.596 . 3.438 3.088 2.347 3.812 0.374 18 0 "[ . 1 . 2 .]" 1
1287 1 61 ARG HB2 1 62 VAL H 2.341 . 3.026 2.497 2.412 2.650 . 0 0 "[ . 1 . 2 .]" 1
1288 1 61 ARG HB2 1 64 SER H 3.271 . 4.608 4.363 4.056 4.646 0.038 18 0 "[ . 1 . 2 .]" 1
1289 1 61 ARG HB2 1 63 LEU H 2.992 . 4.111 3.639 2.611 4.166 0.055 19 0 "[ . 1 . 2 .]" 1
1290 1 61 ARG HB3 1 61 ARG HD2 2.711 . 3.630 3.135 2.256 3.725 0.095 17 0 "[ . 1 . 2 .]" 1
1291 1 61 ARG QD 1 61 ARG QG 2.268 . 2.911 2.040 1.968 2.093 . 0 0 "[ . 1 . 2 .]" 1
1292 1 62 VAL H 1 62 VAL HA 2.677 . 3.573 2.842 2.825 2.858 . 0 0 "[ . 1 . 2 .]" 1
1293 1 62 VAL H 1 62 VAL MG1 2.245 . 2.875 2.261 2.204 2.339 . 0 0 "[ . 1 . 2 .]" 1
1294 1 62 VAL H 1 62 VAL MG2 2.057 . 2.586 2.144 2.074 2.205 . 0 0 "[ . 1 . 2 .]" 1
1295 1 62 VAL H 1 63 LEU H 2.694 . 3.601 2.659 2.556 2.712 . 0 0 "[ . 1 . 2 .]" 1
1296 1 62 VAL H 1 63 LEU QB 2.872 . 3.903 3.904 3.810 4.035 0.132 15 0 "[ . 1 . 2 .]" 1
1297 1 62 VAL H 1 65 ARG H 3.310 . 4.679 4.671 4.584 4.727 0.048 6 0 "[ . 1 . 2 .]" 1
1298 1 62 VAL HA 1 62 VAL HB 2.406 . 3.130 2.425 2.409 2.444 . 0 0 "[ . 1 . 2 .]" 1
1299 1 62 VAL HA 1 62 VAL MG1 1.991 . 2.486 2.360 2.342 2.377 . 0 0 "[ . 1 . 2 .]" 1
1300 1 62 VAL HA 1 62 VAL MG2 2.330 . 3.009 3.195 3.191 3.199 0.190 17 0 "[ . 1 . 2 .]" 1
1301 1 62 VAL HA 1 63 LEU H 2.902 . 3.954 3.547 3.527 3.563 . 0 0 "[ . 1 . 2 .]" 1
1302 1 62 VAL HA 1 64 SER H 3.202 . 4.484 4.482 4.444 4.528 0.044 12 0 "[ . 1 . 2 .]" 1
1303 1 62 VAL HA 1 65 ARG H 2.934 . 4.010 3.406 3.274 3.561 . 0 0 "[ . 1 . 2 .]" 1
1304 1 62 VAL HA 1 65 ARG HB2 2.914 . 3.975 2.319 2.055 2.564 . 0 0 "[ . 1 . 2 .]" 1
1305 1 62 VAL HA 1 65 ARG QG 2.614 . 3.468 3.012 2.706 3.580 0.112 15 0 "[ . 1 . 2 .]" 1
1306 1 62 VAL HA 1 66 ALA H 2.703 . 3.617 3.681 3.535 3.788 0.171 7 0 "[ . 1 . 2 .]" 1
1307 1 62 VAL HA 1 76 TYR QE 2.961 . 4.057 3.964 3.761 4.021 . 0 0 "[ . 1 . 2 .]" 1
1308 1 62 VAL HB 1 62 VAL MG1 1.975 . 2.463 2.120 2.116 2.124 . 0 0 "[ . 1 . 2 .]" 1
1309 1 62 VAL HB 1 62 VAL MG2 1.950 . 2.426 2.117 2.114 2.122 . 0 0 "[ . 1 . 2 .]" 1
1310 1 62 VAL MG1 1 62 VAL MG2 1.746 . 2.127 2.087 2.080 2.093 . 0 0 "[ . 1 . 2 .]" 1
1311 1 62 VAL MG1 1 63 LEU H 2.406 . 3.130 3.184 3.107 3.246 0.116 25 0 "[ . 1 . 2 .]" 1
1312 1 62 VAL MG1 1 76 TYR H 3.124 . 4.344 4.401 4.376 4.422 0.078 19 0 "[ . 1 . 2 .]" 1
1313 1 62 VAL MG1 1 76 TYR HA 2.677 . 3.573 3.112 2.894 3.276 . 0 0 "[ . 1 . 2 .]" 1
1314 1 62 VAL MG1 1 76 TYR HB3 2.462 . 3.220 3.148 2.922 3.242 0.022 25 0 "[ . 1 . 2 .]" 1
1315 1 62 VAL MG1 1 76 TYR QD 2.221 . 2.838 2.834 2.531 2.898 0.060 14 0 "[ . 1 . 2 .]" 1
1316 1 62 VAL MG2 1 63 LEU H 2.291 . 2.947 2.106 2.015 2.194 . 0 0 "[ . 1 . 2 .]" 1
1317 1 62 VAL MG2 1 63 LEU HA 2.380 . 3.088 3.131 3.107 3.155 0.067 17 0 "[ . 1 . 2 .]" 1
1318 1 62 VAL MG2 1 76 TYR QD 2.512 . 3.300 3.022 2.927 3.143 . 0 0 "[ . 1 . 2 .]" 1
1319 1 62 VAL MG2 1 80 LEU H 2.993 . 4.113 3.225 3.139 3.322 . 0 0 "[ . 1 . 2 .]" 1
1320 1 62 VAL MG2 1 79 GLU H 3.100 . 4.301 3.645 3.473 3.773 . 0 0 "[ . 1 . 2 .]" 1
1321 1 62 VAL MG2 1 76 TYR HA 2.925 . 3.994 4.178 4.104 4.246 0.252 21 0 "[ . 1 . 2 .]" 1
1322 1 62 VAL MG2 1 76 TYR HB3 2.754 . 3.702 3.161 3.071 3.254 . 0 0 "[ . 1 . 2 .]" 1
1323 1 62 VAL MG2 1 80 LEU H 2.587 . 3.424 3.133 3.061 3.264 . 0 0 "[ . 1 . 2 .]" 1
1324 1 63 LEU H 1 63 LEU HA 2.356 . 3.050 2.787 2.767 2.801 . 0 0 "[ . 1 . 2 .]" 1
1325 1 63 LEU H 1 63 LEU QB 2.228 . 2.849 1.999 1.978 2.024 . 0 0 "[ . 1 . 2 .]" 1
1326 1 63 LEU H 1 63 LEU HB3 2.247 . 2.878 2.030 2.001 2.058 . 0 0 "[ . 1 . 2 .]" 1
1327 1 63 LEU H 1 63 LEU HG 2.751 . 3.697 3.887 3.774 3.947 0.250 12 0 "[ . 1 . 2 .]" 1
1328 1 63 LEU H 1 64 SER H 2.560 . 3.379 2.703 2.651 2.756 . 0 0 "[ . 1 . 2 .]" 1
1329 1 63 LEU H 1 80 LEU MD2 2.607 . 3.457 3.718 3.661 3.746 0.289 13 0 "[ . 1 . 2 .]" 1
1330 1 63 LEU HA 1 63 LEU HG 2.266 . 2.908 2.745 2.595 2.856 . 0 0 "[ . 1 . 2 .]" 1
1331 1 63 LEU QB 1 63 LEU MD1 1.672 . 2.022 2.006 1.777 2.152 0.130 22 0 "[ . 1 . 2 .]" 1
1332 1 63 LEU QB 1 64 SER H 2.366 . 3.065 2.778 2.714 2.851 . 0 0 "[ . 1 . 2 .]" 1
1333 1 63 LEU HB3 1 63 LEU MD2 1.840 . 2.263 2.207 2.173 2.244 . 0 0 "[ . 1 . 2 .]" 1
1334 1 63 LEU HB3 1 64 SER H 2.444 . 3.191 2.862 2.791 2.961 . 0 0 "[ . 1 . 2 .]" 1
1335 1 63 LEU QD 1 64 SER H 2.778 . 3.743 3.337 3.148 3.454 . 0 0 "[ . 1 . 2 .]" 1
1336 1 63 LEU MD2 1 63 LEU HG 1.900 . 2.351 2.128 2.123 2.137 . 0 0 "[ . 1 . 2 .]" 1
1337 1 63 LEU HG 1 64 SER H 2.821 . 3.815 2.577 2.253 2.749 . 0 0 "[ . 1 . 2 .]" 1
1338 1 63 LEU HG 1 64 SER QB 2.473 . 3.237 3.380 3.278 3.630 0.393 13 0 "[ . 1 . 2 .]" 1
1339 1 64 SER H 1 64 SER HA 2.417 . 3.147 2.835 2.818 2.856 . 0 0 "[ . 1 . 2 .]" 1
1340 1 64 SER H 1 64 SER QB 2.122 . 2.685 2.271 2.205 2.431 . 0 0 "[ . 1 . 2 .]" 1
1341 1 64 SER H 1 64 SER HB3 2.109 . 2.665 2.737 2.373 3.563 0.898 1 5 "[+ . * 1 * . * -.]" 1
1342 1 64 SER H 1 65 ARG H 2.622 . 3.481 2.587 2.519 2.661 . 0 0 "[ . 1 . 2 .]" 1
1343 1 64 SER H 1 65 ARG HD3 3.472 . 4.979 5.193 4.477 5.435 0.456 21 0 "[ . 1 . 2 .]" 1
1344 1 64 SER HA 1 67 ARG QG 2.403 . 3.125 2.656 1.864 3.249 0.124 5 0 "[ . 1 . 2 .]" 1
1345 1 64 SER QB 1 65 ARG H 2.375 . 3.080 2.655 2.564 2.758 . 0 0 "[ . 1 . 2 .]" 1
1346 1 64 SER HB3 1 65 ARG H 2.355 . 3.048 2.908 2.607 3.872 0.824 13 5 "[* . * 1 + . * -.]" 1
1347 1 65 ARG H 1 65 ARG HA 2.559 . 3.378 2.778 2.725 2.801 . 0 0 "[ . 1 . 2 .]" 1
1348 1 65 ARG H 1 65 ARG HB2 2.644 . 3.518 2.340 2.107 2.438 . 0 0 "[ . 1 . 2 .]" 1
1349 1 65 ARG H 1 65 ARG HB3 2.713 . 3.633 3.550 3.426 3.583 . 0 0 "[ . 1 . 2 .]" 1
1350 1 65 ARG H 1 65 ARG HD2 3.218 . 4.513 4.497 2.775 4.718 0.205 24 0 "[ . 1 . 2 .]" 1
1351 1 65 ARG H 1 65 ARG HD3 2.939 . 4.019 3.759 2.756 4.638 0.619 21 1 "[ . 1 . 2+ .]" 1
1352 1 65 ARG H 1 65 ARG HG2 2.725 . 3.653 2.497 2.148 4.154 0.501 15 1 "[ . 1 + 2 .]" 1
1353 1 65 ARG H 1 65 ARG QG 2.553 . 3.367 2.443 2.130 3.518 0.151 15 0 "[ . 1 . 2 .]" 1
1354 1 65 ARG H 1 66 ALA H 2.595 . 3.437 2.765 2.670 2.957 . 0 0 "[ . 1 . 2 .]" 1
1355 1 65 ARG HA 1 65 ARG HB2 2.770 . 3.729 2.998 2.911 3.015 . 0 0 "[ . 1 . 2 .]" 1
1356 1 65 ARG HA 1 65 ARG HD2 2.659 . 3.543 2.763 2.060 3.309 . 0 0 "[ . 1 . 2 .]" 1
1357 1 65 ARG HA 1 65 ARG HD3 2.495 . 3.273 2.122 1.646 3.690 0.417 15 0 "[ . 1 . 2 .]" 1
1358 1 65 ARG HA 1 65 ARG HG2 2.195 . 2.797 2.898 2.825 3.512 0.715 15 1 "[ . 1 + 2 .]" 1
1359 1 65 ARG HA 1 68 SER H 2.748 . 3.692 3.542 3.356 3.721 0.029 15 0 "[ . 1 . 2 .]" 1
1360 1 65 ARG HB2 1 65 ARG HD2 2.827 . 3.826 3.603 3.001 3.771 . 0 0 "[ . 1 . 2 .]" 1
1361 1 65 ARG HB2 1 65 ARG HD3 2.814 . 3.804 3.704 2.210 4.123 0.319 21 0 "[ . 1 . 2 .]" 1
1362 1 65 ARG HB2 1 65 ARG HG2 2.131 . 2.699 2.450 2.404 2.531 . 0 0 "[ . 1 . 2 .]" 1
1363 1 65 ARG HB3 1 66 ALA H 3.229 . 4.533 3.412 2.791 3.669 . 0 0 "[ . 1 . 2 .]" 1
1364 1 65 ARG HB3 1 76 TYR HE2 2.812 . 3.800 3.055 2.636 3.349 . 0 0 "[ . 1 . 2 .]" 1
1365 1 65 ARG HD2 1 76 TYR QE 2.996 . 4.118 4.170 3.784 5.097 0.979 15 2 "[ . 1 + 2- .]" 1
1366 1 65 ARG HD2 1 76 TYR QE 3.461 . 4.958 3.139 3.021 3.264 . 0 0 "[ . 1 . 2 .]" 1
1367 1 66 ALA H 1 66 ALA HA 2.375 . 3.080 2.852 2.845 2.860 . 0 0 "[ . 1 . 2 .]" 1
1368 1 66 ALA H 1 66 ALA MB 2.135 . 2.705 2.243 2.229 2.254 . 0 0 "[ . 1 . 2 .]" 1
1369 1 66 ALA H 1 67 ARG H 2.695 . 3.603 2.543 2.488 2.611 . 0 0 "[ . 1 . 2 .]" 1
1370 1 66 ALA H 1 76 TYR QD 3.341 . 4.736 3.335 3.032 3.637 . 0 0 "[ . 1 . 2 .]" 1
1371 1 66 ALA HA 1 66 ALA MB 1.946 . 2.419 2.116 2.107 2.120 . 0 0 "[ . 1 . 2 .]" 1
1372 1 66 ALA HA 1 69 ARG H 2.456 . 3.210 2.275 2.040 3.015 . 0 0 "[ . 1 . 2 .]" 1
1373 1 66 ALA HA 1 69 ARG H 2.692 . 3.598 3.221 2.951 3.331 . 0 0 "[ . 1 . 2 .]" 1
1374 1 66 ALA HA 1 73 LEU MD1 2.692 . 3.598 3.623 3.527 3.690 0.092 2 0 "[ . 1 . 2 .]" 1
1375 1 66 ALA HA 1 76 TYR QD 2.441 . 3.186 2.347 2.133 2.649 . 0 0 "[ . 1 . 2 .]" 1
1376 1 66 ALA HA 1 76 TYR HD2 2.520 . 3.314 2.348 2.134 2.651 . 0 0 "[ . 1 . 2 .]" 1
1377 1 66 ALA HA 1 76 TYR QE 2.455 . 3.208 2.681 2.494 2.970 . 0 0 "[ . 1 . 2 .]" 1
1378 1 66 ALA HA 1 76 TYR HE2 2.403 . 3.125 2.684 2.495 2.975 . 0 0 "[ . 1 . 2 .]" 1
1379 1 66 ALA MB 1 67 ARG H 2.437 . 3.179 2.718 2.536 2.850 . 0 0 "[ . 1 . 2 .]" 1
1380 1 66 ALA MB 1 68 SER HB3 3.616 . 5.251 5.342 5.201 5.776 0.525 1 1 "[+ . 1 . 2 .]" 1
1381 1 66 ALA MB 1 70 PRO HA 2.594 . 3.435 3.428 3.279 3.493 0.058 19 0 "[ . 1 . 2 .]" 1
1382 1 66 ALA MB 1 73 LEU H 2.924 . 3.992 4.107 4.059 4.135 0.143 10 0 "[ . 1 . 2 .]" 1
1383 1 66 ALA MB 1 73 LEU HB2 2.568 . 3.392 2.562 2.419 2.738 . 0 0 "[ . 1 . 2 .]" 1
1384 1 66 ALA MB 1 73 LEU MD1 1.981 . 2.471 1.596 1.504 1.737 . 0 0 "[ . 1 . 2 .]" 1
1385 1 66 ALA MB 1 76 TYR HB2 2.865 . 3.891 2.389 2.150 2.667 . 0 0 "[ . 1 . 2 .]" 1
1386 1 66 ALA MB 1 76 TYR HB3 2.824 . 3.821 3.172 2.960 3.453 . 0 0 "[ . 1 . 2 .]" 1
1387 1 66 ALA MB 1 76 TYR QD 2.143 . 2.717 1.880 1.757 2.186 . 0 0 "[ . 1 . 2 .]" 1
1388 1 66 ALA MB 1 76 TYR HD2 2.516 . 3.307 1.881 1.758 2.189 . 0 0 "[ . 1 . 2 .]" 1
1389 1 67 ARG H 1 67 ARG HA 2.369 . 3.070 2.817 2.770 2.847 . 0 0 "[ . 1 . 2 .]" 1
1390 1 67 ARG H 1 67 ARG HB2 2.253 . 2.887 2.609 2.379 2.920 0.033 4 0 "[ . 1 . 2 .]" 1
1391 1 67 ARG H 1 67 ARG HG2 2.827 . 3.826 3.097 1.905 4.420 0.594 11 7 "[ ** 1+ * . *2 *- .]" 1
1392 1 67 ARG H 1 68 SER H 2.449 . 3.198 2.570 2.393 2.776 . 0 0 "[ . 1 . 2 .]" 1
1393 1 67 ARG H 1 69 ARG H 3.126 . 4.347 4.087 3.756 4.352 0.005 7 0 "[ . 1 . 2 .]" 1
1394 1 67 ARG HA 1 67 ARG HB2 2.347 . 3.036 2.769 2.287 3.030 . 0 0 "[ . 1 . 2 .]" 1
1395 1 67 ARG HA 1 67 ARG QB 2.028 . 2.542 2.331 2.217 2.434 . 0 0 "[ . 1 . 2 .]" 1
1396 1 67 ARG HA 1 67 ARG QD 2.347 . 3.036 2.566 2.109 3.033 . 0 0 "[ . 1 . 2 .]" 1
1397 1 67 ARG QB 1 67 ARG QD 1.910 . 2.366 2.249 2.067 2.562 0.196 18 0 "[ . 1 . 2 .]" 1
1398 1 67 ARG QB 1 68 SER H 2.529 . 3.329 2.655 2.176 2.983 . 0 0 "[ . 1 . 2 .]" 1
1399 1 67 ARG QG 1 68 SER H 2.956 . 4.048 3.745 2.995 4.091 0.043 6 0 "[ . 1 . 2 .]" 1
1400 1 68 SER H 1 68 SER HA 2.313 . 2.982 2.868 2.798 2.924 . 0 0 "[ . 1 . 2 .]" 1
1401 1 68 SER H 1 68 SER HB2 2.214 . 2.827 2.430 2.220 2.565 . 0 0 "[ . 1 . 2 .]" 1
1402 1 68 SER H 1 68 SER HB3 2.280 . 2.930 2.650 2.502 3.454 0.524 1 1 "[+ . 1 . 2 .]" 1
1403 1 68 SER H 1 69 ARG H 2.332 . 3.012 2.416 2.078 2.716 . 0 0 "[ . 1 . 2 .]" 1
1404 1 68 SER HA 1 68 SER HB2 2.091 . 2.638 2.564 2.498 3.000 0.362 1 0 "[ . 1 . 2 .]" 1
1405 1 68 SER HA 1 68 SER QB 1.917 . 2.377 2.416 2.385 2.462 0.085 2 0 "[ . 1 . 2 .]" 1
1406 1 68 SER HA 1 68 SER HB2 2.020 . 2.530 1.988 1.948 2.058 . 0 0 "[ . 1 . 2 .]" 1
1407 1 68 SER HA 1 69 ARG H 2.545 . 3.354 3.482 3.460 3.512 0.158 6 0 "[ . 1 . 2 .]" 1
1408 1 68 SER HB2 1 69 ARG H 2.551 . 3.364 3.484 2.599 3.572 0.208 22 0 "[ . 1 . 2 .]" 1
1409 1 68 SER HB3 1 69 ARG H 2.553 . 3.368 2.342 2.060 3.455 0.087 1 0 "[ . 1 . 2 .]" 1
1410 1 68 SER HB3 1 69 ARG QB 2.790 . 3.763 3.309 2.927 4.074 0.311 1 0 "[ . 1 . 2 .]" 1
1411 1 68 SER HB3 1 69 ARG QG 2.686 . 3.588 2.943 2.299 3.561 . 0 0 "[ . 1 . 2 .]" 1
1412 1 69 ARG H 1 69 ARG QB 2.448 . 3.197 2.491 2.379 2.604 . 0 0 "[ . 1 . 2 .]" 1
1413 1 69 ARG H 1 69 ARG HG2 3.009 . 4.141 3.288 2.789 4.289 0.148 7 0 "[ . 1 . 2 .]" 1
1414 1 69 ARG H 1 69 ARG QG 2.860 . 3.882 3.028 2.744 3.535 . 0 0 "[ . 1 . 2 .]" 1
1415 1 69 ARG H 1 69 ARG HG3 3.002 . 4.128 3.990 3.476 4.216 0.088 20 0 "[ . 1 . 2 .]" 1
1416 1 69 ARG H 1 70 PRO HD3 2.853 . 3.870 3.738 3.540 3.902 0.032 6 0 "[ . 1 . 2 .]" 1
1417 1 69 ARG HA 1 69 ARG QB 2.451 . 3.202 2.382 2.321 2.450 . 0 0 "[ . 1 . 2 .]" 1
1418 1 69 ARG HA 1 69 ARG QD 2.781 . 3.748 2.322 1.812 3.429 0.008 20 0 "[ . 1 . 2 .]" 1
1419 1 69 ARG HA 1 69 ARG HG2 2.649 . 3.526 3.082 2.679 3.643 0.117 2 0 "[ . 1 . 2 .]" 1
1420 1 69 ARG HA 1 69 ARG HG3 2.603 . 3.450 3.423 2.359 3.808 0.358 1 0 "[ . 1 . 2 .]" 1
1421 1 69 ARG HA 1 70 PRO HD2 2.480 . 3.249 1.905 1.825 1.989 . 0 0 "[ . 1 . 2 .]" 1
1422 1 69 ARG HA 1 70 PRO HD3 2.391 . 3.106 3.104 3.055 3.137 0.031 2 0 "[ . 1 . 2 .]" 1
1423 1 69 ARG HA 1 70 PRO HG2 2.909 . 3.967 3.855 3.735 3.970 0.003 1 0 "[ . 1 . 2 .]" 1
1424 1 69 ARG QB 1 69 ARG QD 2.241 . 2.869 2.211 1.896 2.381 . 0 0 "[ . 1 . 2 .]" 1
1425 1 69 ARG QB 1 69 ARG HG2 2.102 . 2.654 2.320 2.121 2.427 . 0 0 "[ . 1 . 2 .]" 1
1426 1 69 ARG QB 1 69 ARG HG3 2.031 . 2.546 2.225 2.147 2.471 . 0 0 "[ . 1 . 2 .]" 1
1427 1 69 ARG QB 2 16 ALA MB 3.671 . 5.356 5.215 5.009 5.372 0.016 10 0 "[ . 1 . 2 .]" 1
1428 1 69 ARG QB 1 76 TYR QE 2.691 . 3.596 2.474 2.165 2.808 . 0 0 "[ . 1 . 2 .]" 1
1429 1 69 ARG QB 1 76 TYR HE2 2.584 . 3.419 2.477 2.166 2.813 . 0 0 "[ . 1 . 2 .]" 1
1430 1 69 ARG QD 1 69 ARG HG2 2.237 . 2.863 2.374 2.288 2.475 . 0 0 "[ . 1 . 2 .]" 1
1431 1 69 ARG QD 1 69 ARG QG 2.047 . 2.568 2.076 2.031 2.088 . 0 0 "[ . 1 . 2 .]" 1
1432 1 69 ARG QD 1 69 ARG HG3 2.230 . 2.852 2.300 2.159 2.393 . 0 0 "[ . 1 . 2 .]" 1
1433 1 70 PRO HA 1 70 PRO HB2 2.141 . 2.714 2.751 2.738 2.767 0.053 16 0 "[ . 1 . 2 .]" 1
1434 1 70 PRO HA 1 70 PRO HB3 2.133 . 2.702 2.293 2.282 2.300 . 0 0 "[ . 1 . 2 .]" 1
1435 1 70 PRO HA 1 70 PRO HD2 2.997 . 4.120 4.067 4.041 4.080 . 0 0 "[ . 1 . 2 .]" 1
1436 1 70 PRO HA 1 70 PRO HD3 3.034 . 4.185 3.372 3.272 3.426 . 0 0 "[ . 1 . 2 .]" 1
1437 1 70 PRO HA 1 71 ALA H 2.938 . 4.017 3.465 3.431 3.515 . 0 0 "[ . 1 . 2 .]" 1
1438 1 70 PRO HA 1 73 LEU H 2.634 . 3.501 2.785 2.708 2.886 . 0 0 "[ . 1 . 2 .]" 1
1439 1 70 PRO HA 1 73 LEU MD2 2.973 . 4.078 3.693 3.299 4.045 . 0 0 "[ . 1 . 2 .]" 1
1440 1 70 PRO HB2 1 70 PRO HD2 2.861 . 3.884 4.059 4.046 4.072 0.188 22 0 "[ . 1 . 2 .]" 1
1441 1 70 PRO HB2 1 70 PRO HD3 2.847 . 3.860 3.823 3.796 3.846 . 0 0 "[ . 1 . 2 .]" 1
1442 1 70 PRO HB2 1 70 PRO HG2 2.309 . 2.975 2.318 2.310 2.330 . 0 0 "[ . 1 . 2 .]" 1
1443 1 70 PRO HB2 1 70 PRO HG3 2.335 . 3.016 2.650 2.638 2.660 . 0 0 "[ . 1 . 2 .]" 1
1444 1 70 PRO HB3 1 70 PRO HD3 2.557 . 3.374 2.848 2.796 2.894 . 0 0 "[ . 1 . 2 .]" 1
1445 1 70 PRO HD2 1 70 PRO HG2 2.182 . 2.777 2.331 2.321 2.343 . 0 0 "[ . 1 . 2 .]" 1
1446 1 70 PRO HD2 1 70 PRO HG3 2.358 . 3.053 2.649 2.632 2.663 . 0 0 "[ . 1 . 2 .]" 1
1447 1 70 PRO HD2 1 71 ALA H 2.972 . 4.076 2.931 2.842 3.162 . 0 0 "[ . 1 . 2 .]" 1
1448 1 70 PRO HD3 1 70 PRO HG3 2.363 . 3.061 2.338 2.326 2.350 . 0 0 "[ . 1 . 2 .]" 1
1449 1 70 PRO HG2 1 71 ALA H 2.883 . 3.922 2.435 2.390 2.470 . 0 0 "[ . 1 . 2 .]" 1
1450 1 70 PRO HG2 1 71 ALA MB 2.581 . 3.414 3.473 3.434 3.535 0.121 17 0 "[ . 1 . 2 .]" 1
1451 1 70 PRO HG3 1 71 ALA H 2.895 . 3.942 3.964 3.925 4.006 0.064 5 0 "[ . 1 . 2 .]" 1
1452 1 71 ALA H 1 71 ALA HA 2.471 . 3.234 2.787 2.738 2.845 . 0 0 "[ . 1 . 2 .]" 1
1453 1 71 ALA H 1 71 ALA MB 1.944 . 2.416 2.188 2.153 2.231 . 0 0 "[ . 1 . 2 .]" 1
1454 1 71 ALA H 1 72 LYS H 2.543 . 3.351 2.720 2.552 2.846 . 0 0 "[ . 1 . 2 .]" 1
1455 1 71 ALA H 2 16 ALA MB 3.006 . 4.135 3.510 3.341 3.599 . 0 0 "[ . 1 . 2 .]" 1
1456 1 71 ALA HA 1 71 ALA MB 1.753 . 2.137 2.122 2.115 2.126 . 0 0 "[ . 1 . 2 .]" 1
1457 1 71 ALA HA 1 72 LYS H 2.899 . 3.950 3.501 3.465 3.539 . 0 0 "[ . 1 . 2 .]" 1
1458 1 71 ALA HA 1 73 LEU H 3.199 . 4.478 4.045 3.826 4.207 . 0 0 "[ . 1 . 2 .]" 1
1459 1 71 ALA MB 1 72 LYS H 2.285 . 2.937 2.783 2.584 2.927 . 0 0 "[ . 1 . 2 .]" 1
1460 1 71 ALA MB 1 72 LYS H 2.335 . 3.016 2.648 2.488 2.760 . 0 0 "[ . 1 . 2 .]" 1
1461 1 71 ALA MB 2 16 ALA MB 2.957 . 4.050 3.832 3.210 4.181 0.131 22 0 "[ . 1 . 2 .]" 1
1462 1 71 ALA MB 2 18 TRP HD1 3.099 . 4.299 4.254 3.948 4.408 0.109 21 0 "[ . 1 . 2 .]" 1
1463 1 72 LYS H 1 72 LYS HA 2.371 . 3.074 2.938 2.929 2.943 . 0 0 "[ . 1 . 2 .]" 1
1464 1 72 LYS H 1 72 LYS QB 2.171 . 2.760 2.466 2.297 2.610 . 0 0 "[ . 1 . 2 .]" 1
1465 1 72 LYS H 1 72 LYS HG2 2.730 . 3.662 3.335 3.106 3.583 . 0 0 "[ . 1 . 2 .]" 1
1466 1 72 LYS H 1 72 LYS HG3 2.802 . 3.783 3.855 3.763 4.000 0.217 11 0 "[ . 1 . 2 .]" 1
1467 1 72 LYS H 1 73 LEU H 2.489 . 3.263 2.260 2.137 2.496 . 0 0 "[ . 1 . 2 .]" 1
1468 1 72 LYS H 1 76 TYR QE 3.073 . 4.253 3.776 3.533 4.116 . 0 0 "[ . 1 . 2 .]" 1
1469 1 72 LYS H 1 76 TYR HE2 3.061 . 4.232 3.787 3.542 4.134 . 0 0 "[ . 1 . 2 .]" 1
1470 1 72 LYS HA 1 72 LYS QB 2.213 . 2.825 2.423 2.401 2.464 . 0 0 "[ . 1 . 2 .]" 1
1471 1 72 LYS HA 1 72 LYS HD2 2.458 . 3.213 3.283 2.578 3.932 0.719 3 7 "[ *+ . * . *** - .]" 1
1472 1 72 LYS HA 1 72 LYS HG2 2.633 . 3.500 2.396 2.231 2.587 . 0 0 "[ . 1 . 2 .]" 1
1473 1 72 LYS HA 1 74 TYR H 3.432 . 4.904 3.368 3.154 3.696 . 0 0 "[ . 1 . 2 .]" 1
1474 1 72 LYS HA 1 75 VAL H 3.330 . 4.716 3.362 3.210 3.543 . 0 0 "[ . 1 . 2 .]" 1
1475 1 72 LYS HA 1 75 VAL QG 2.462 . 3.220 3.131 2.806 3.384 0.164 21 0 "[ . 1 . 2 .]" 1
1476 1 72 LYS HA 2 18 TRP HE1 3.077 . 4.261 3.464 2.999 3.843 . 0 0 "[ . 1 . 2 .]" 1
1477 1 72 LYS QB 1 72 LYS HG3 2.350 . 3.040 2.134 2.127 2.149 . 0 0 "[ . 1 . 2 .]" 1
1478 1 72 LYS QB 1 76 TYR HD2 2.871 . 3.901 3.548 3.440 3.642 . 0 0 "[ . 1 . 2 .]" 1
1479 1 72 LYS QB 2 15 THR MG 3.336 . 4.727 5.444 5.369 5.513 0.786 6 25 [***-*+*******************] 1
1480 1 72 LYS QB 1 76 TYR HE2 2.499 . 3.280 2.794 2.408 3.148 . 0 0 "[ . 1 . 2 .]" 1
1481 1 72 LYS QD 1 75 VAL H 2.943 . 4.025 4.021 3.630 4.122 0.097 25 0 "[ . 1 . 2 .]" 1
1482 1 72 LYS QD 1 75 VAL QG 2.213 . 2.825 2.056 1.831 2.216 . 0 0 "[ . 1 . 2 .]" 1
1483 1 72 LYS QD 2 15 THR MG 3.658 . 5.331 6.188 5.652 6.952 1.621 25 23 "[********** ***** ***-***+]" 1
1484 1 72 LYS HG2 1 75 VAL QG 2.905 . 3.960 3.989 3.887 4.076 0.116 14 0 "[ . 1 . 2 .]" 1
1485 1 73 LEU H 1 73 LEU HA 2.492 . 3.268 2.714 2.697 2.732 . 0 0 "[ . 1 . 2 .]" 1
1486 1 73 LEU H 1 73 LEU HB2 2.414 . 3.142 2.612 2.539 2.684 . 0 0 "[ . 1 . 2 .]" 1
1487 1 73 LEU H 1 73 LEU HB3 2.465 . 3.224 2.288 2.235 2.354 . 0 0 "[ . 1 . 2 .]" 1
1488 1 73 LEU H 1 73 LEU MD2 2.886 . 3.927 4.050 4.007 4.107 0.180 19 0 "[ . 1 . 2 .]" 1
1489 1 73 LEU H 1 73 LEU HG 3.176 . 4.437 4.322 4.282 4.369 . 0 0 "[ . 1 . 2 .]" 1
1490 1 73 LEU H 1 74 TYR H 2.855 . 3.874 2.876 2.829 2.935 . 0 0 "[ . 1 . 2 .]" 1
1491 1 73 LEU H 1 74 TYR QE 3.283 . 4.631 4.093 3.912 4.364 . 0 0 "[ . 1 . 2 .]" 1
1492 1 73 LEU H 1 76 TYR H 3.010 . 4.142 3.924 3.816 4.032 . 0 0 "[ . 1 . 2 .]" 1
1493 1 73 LEU H 2 16 ALA MB 2.723 . 3.650 2.758 2.550 2.951 . 0 0 "[ . 1 . 2 .]" 1
1494 1 73 LEU HA 1 73 LEU HB2 2.023 . 2.534 2.326 2.304 2.362 . 0 0 "[ . 1 . 2 .]" 1
1495 1 73 LEU HA 1 73 LEU MD1 2.010 . 2.515 2.445 2.313 2.526 0.011 12 0 "[ . 1 . 2 .]" 1
1496 1 73 LEU HA 1 73 LEU HG 2.709 . 3.627 3.148 3.052 3.226 . 0 0 "[ . 1 . 2 .]" 1
1497 1 73 LEU HA 1 76 TYR H 3.049 . 4.211 3.387 3.293 3.492 . 0 0 "[ . 1 . 2 .]" 1
1498 1 73 LEU HA 1 76 TYR QD 2.476 . 3.243 1.997 1.825 2.289 . 0 0 "[ . 1 . 2 .]" 1
1499 1 73 LEU HA 1 76 TYR HD2 2.455 . 3.208 1.998 1.826 2.291 . 0 0 "[ . 1 . 2 .]" 1
1500 1 73 LEU HB2 1 73 LEU MD1 2.266 . 2.908 2.242 2.197 2.312 . 0 0 "[ . 1 . 2 .]" 1
1501 1 73 LEU HB2 1 73 LEU MD2 2.262 . 2.902 2.537 2.478 2.627 . 0 0 "[ . 1 . 2 .]" 1
1502 1 73 LEU HB2 1 74 TYR H 2.934 . 4.010 4.018 3.963 4.065 0.055 21 0 "[ . 1 . 2 .]" 1
1503 1 73 LEU HB3 1 73 LEU MD2 2.211 . 2.822 2.136 2.111 2.170 . 0 0 "[ . 1 . 2 .]" 1
1504 1 73 LEU HB3 1 74 TYR H 2.965 . 4.064 2.706 2.620 2.785 . 0 0 "[ . 1 . 2 .]" 1
1505 1 73 LEU HB3 1 74 TYR QB 3.506 . 5.043 3.362 3.136 3.535 . 0 0 "[ . 1 . 2 .]" 1
1506 1 73 LEU MD1 1 73 LEU MD2 1.738 . 2.115 2.086 2.073 2.093 . 0 0 "[ . 1 . 2 .]" 1
1507 1 73 LEU MD1 1 73 LEU HG 2.480 . 3.249 2.122 2.118 2.125 . 0 0 "[ . 1 . 2 .]" 1
1508 1 73 LEU MD1 1 76 TYR HD2 2.605 . 3.453 3.477 3.346 3.583 0.130 24 0 "[ . 1 . 2 .]" 1
1509 1 73 LEU MD1 1 77 ILE H 3.100 . 4.301 4.078 3.836 4.278 . 0 0 "[ . 1 . 2 .]" 1
1510 1 73 LEU MD2 1 73 LEU HG 2.025 . 2.538 2.114 2.110 2.119 . 0 0 "[ . 1 . 2 .]" 1
1511 1 73 LEU MD2 1 74 TYR QD 3.012 . 4.146 3.611 3.308 3.870 . 0 0 "[ . 1 . 2 .]" 1
1512 1 73 LEU MD2 1 74 TYR QE 2.791 . 3.764 3.441 3.060 3.774 0.010 10 0 "[ . 1 . 2 .]" 1
1513 1 73 LEU HG 1 77 ILE MD 2.473 . 3.237 1.876 1.823 1.946 . 0 0 "[ . 1 . 2 .]" 1
1514 1 74 TYR H 1 74 TYR HA 2.355 . 3.048 2.825 2.811 2.843 . 0 0 "[ . 1 . 2 .]" 1
1515 1 74 TYR H 1 74 TYR QB 2.800 . 3.179 2.331 2.274 2.419 . 0 0 "[ . 1 . 2 .]" 1
1516 1 74 TYR H 1 74 TYR QD 2.502 . 3.285 2.307 2.037 2.473 . 0 0 "[ . 1 . 2 .]" 1
1517 1 74 TYR H 1 74 TYR QE 2.826 . 3.824 4.410 4.120 4.596 0.772 14 22 "[* -******* **+** ********]" 1
1518 1 74 TYR H 1 75 VAL H 2.676 . 3.571 2.700 2.607 2.784 . 0 0 "[ . 1 . 2 .]" 1
1519 1 74 TYR H 1 75 VAL QG 2.962 . 4.059 4.091 4.034 4.124 0.065 25 0 "[ . 1 . 2 .]" 1
1520 1 74 TYR H 1 76 TYR H 3.108 . 4.316 3.921 3.814 4.036 . 0 0 "[ . 1 . 2 .]" 1
1521 1 74 TYR H 1 76 TYR H 3.108 . 4.316 3.803 3.706 3.917 . 0 0 "[ . 1 . 2 .]" 1
1522 1 74 TYR H 1 77 ILE MD 3.071 . 4.250 3.284 3.209 3.391 . 0 0 "[ . 1 . 2 .]" 1
1523 1 74 TYR H 2 15 THR MG 3.772 . 5.550 5.263 4.920 5.479 . 0 0 "[ . 1 . 2 .]" 1
1524 1 74 TYR HA 1 74 TYR QB 2.462 . 3.220 2.413 2.374 2.441 . 0 0 "[ . 1 . 2 .]" 1
1525 1 74 TYR HA 1 74 TYR QD 2.536 . 3.340 2.938 2.821 3.038 . 0 0 "[ . 1 . 2 .]" 1
1526 1 74 TYR HA 1 77 ILE H 2.751 . 3.697 3.057 2.960 3.170 . 0 0 "[ . 1 . 2 .]" 1
1527 1 74 TYR HA 1 77 ILE HB 2.887 . 3.929 2.031 1.959 2.093 . 0 0 "[ . 1 . 2 .]" 1
1528 1 74 TYR HA 1 77 ILE MD 2.345 . 3.032 1.573 1.552 1.587 0.106 20 0 "[ . 1 . 2 .]" 1
1529 1 74 TYR HA 1 77 ILE MG 2.473 . 3.237 3.362 3.304 3.406 0.169 16 0 "[ . 1 . 2 .]" 1
1530 1 74 TYR HA 2 10 LEU MD1 2.927 . 3.998 4.382 4.202 4.477 0.479 20 0 "[ . 1 . 2 .]" 1
1531 1 74 TYR HA 2 14 PHE HE1 3.242 . 4.556 4.471 4.347 4.548 . 0 0 "[ . 1 . 2 .]" 1
1532 1 74 TYR QB 1 74 TYR QD 2.700 . 2.881 2.124 2.116 2.130 . 0 0 "[ . 1 . 2 .]" 1
1533 1 74 TYR QB 1 74 TYR QE 2.746 . 3.689 2.437 2.189 2.677 . 0 0 "[ . 1 . 2 .]" 1
1534 1 74 TYR QB 1 75 VAL H 2.920 . 3.985 2.602 2.519 2.695 . 0 0 "[ . 1 . 2 .]" 1
1535 1 74 TYR QB 1 77 ILE MD 3.090 . 4.284 3.360 3.267 3.410 . 0 0 "[ . 1 . 2 .]" 1
1536 1 74 TYR QB 1 78 ASN HD22 2.726 . 3.655 2.837 2.591 3.027 . 0 0 "[ . 1 . 2 .]" 1
1537 1 74 TYR QB 2 18 TRP HH2 3.442 . 4.923 3.349 3.143 3.495 . 0 0 "[ . 1 . 2 .]" 1
1538 1 74 TYR QB 2 10 LEU QB 3.537 . 5.101 3.545 3.365 3.671 . 0 0 "[ . 1 . 2 .]" 1
1539 1 74 TYR QB 2 14 PHE HE1 3.118 . 4.334 4.546 4.384 4.676 0.342 14 0 "[ . 1 . 2 .]" 1
1540 1 74 TYR QB 2 15 THR MG 2.903 . 3.809 2.467 2.220 2.664 . 0 0 "[ . 1 . 2 .]" 1
1541 1 74 TYR QB 2 16 ALA MB 3.002 . 4.128 3.174 2.934 3.482 . 0 0 "[ . 1 . 2 .]" 1
1542 1 74 TYR QB 2 18 TRP HE1 4.844 . 7.777 1.705 1.629 2.001 0.282 21 0 "[ . 1 . 2 .]" 1
1543 1 74 TYR QD 1 77 ILE MD 2.524 . 3.320 2.891 2.815 2.950 . 0 0 "[ . 1 . 2 .]" 1
1544 1 74 TYR QD 1 77 ILE MG 2.559 . 3.377 3.218 3.162 3.302 . 0 0 "[ . 1 . 2 .]" 1
1545 1 74 TYR QD 2 10 LEU MD1 2.938 . 4.017 3.579 3.521 3.632 . 0 0 "[ . 1 . 2 .]" 1
1546 1 74 TYR QD 2 10 LEU HG 3.315 . 4.688 3.746 3.648 3.836 . 0 0 "[ . 1 . 2 .]" 1
1547 1 74 TYR QD 2 11 GLU HA 3.045 . 4.204 4.128 4.040 4.195 . 0 0 "[ . 1 . 2 .]" 1
1548 1 74 TYR QD 2 14 PHE QR 2.577 . 3.407 2.199 2.106 2.315 . 0 0 "[ . 1 . 2 .]" 1
1549 1 74 TYR QD 2 15 THR H 3.495 . 5.022 3.680 3.485 3.860 . 0 0 "[ . 1 . 2 .]" 1
1550 1 74 TYR QD 2 15 THR HA 3.251 . 4.572 2.634 2.447 2.800 . 0 0 "[ . 1 . 2 .]" 1
1551 1 74 TYR QD 2 15 THR MG 2.657 . 3.540 2.908 2.720 3.039 . 0 0 "[ . 1 . 2 .]" 1
1552 1 74 TYR QD 2 15 THR MG 3.142 . 4.376 3.267 3.041 3.443 . 0 0 "[ . 1 . 2 .]" 1
1553 1 74 TYR QD 2 16 ALA MB 2.869 . 3.898 2.066 1.896 2.255 . 0 0 "[ . 1 . 2 .]" 1
1554 1 74 TYR QD 2 18 TRP HE1 4.439 . 6.903 2.797 2.432 3.037 . 0 0 "[ . 1 . 2 .]" 1
1555 1 74 TYR QE 2 18 TRP HE1 4.961 . 8.038 4.723 4.405 4.976 . 0 0 "[ . 1 . 2 .]" 1
1556 1 74 TYR QE 1 77 ILE MD 2.692 . 3.598 3.514 3.461 3.573 . 0 0 "[ . 1 . 2 .]" 1
1557 1 74 TYR QE 2 10 LEU QB 3.487 . 5.007 3.968 3.884 4.090 . 0 0 "[ . 1 . 2 .]" 1
1558 1 74 TYR QE 2 14 PHE HD1 3.200 . 4.480 2.146 1.936 2.491 . 0 0 "[ . 1 . 2 .]" 1
1559 1 74 TYR QE 2 15 THR MG 2.968 . 4.069 4.169 4.120 4.221 0.152 24 0 "[ . 1 . 2 .]" 1
1560 1 74 TYR QE 2 14 PHE QB 2.962 . 4.059 2.464 2.201 2.726 . 0 0 "[ . 1 . 2 .]" 1
1561 1 74 TYR QE 2 14 PHE QR 2.537 . 3.342 2.131 1.919 2.483 . 0 0 "[ . 1 . 2 .]" 1
1562 1 74 TYR QE 2 15 THR HA 2.825 . 3.823 3.182 3.058 3.322 . 0 0 "[ . 1 . 2 .]" 1
1563 1 74 TYR QE 2 16 ALA MB 3.018 . 4.156 2.706 2.184 2.939 . 0 0 "[ . 1 . 2 .]" 1
1564 1 75 VAL H 1 75 VAL HA 2.533 . 3.335 2.778 2.758 2.801 . 0 0 "[ . 1 . 2 .]" 1
1565 1 75 VAL H 1 75 VAL HB 2.481 . 3.250 2.530 2.436 2.660 . 0 0 "[ . 1 . 2 .]" 1
1566 1 75 VAL H 1 75 VAL QG 2.058 . 2.587 2.073 1.933 2.207 . 0 0 "[ . 1 . 2 .]" 1
1567 1 75 VAL H 1 76 TYR H 2.459 . 3.215 2.786 2.700 2.893 . 0 0 "[ . 1 . 2 .]" 1
1568 1 75 VAL H 1 77 ILE H 3.341 . 4.736 4.073 3.950 4.172 . 0 0 "[ . 1 . 2 .]" 1
1569 1 75 VAL H 2 15 THR MG 2.553 . 3.368 4.905 4.649 5.191 1.823 19 25 [****-*************+******] 1
1570 1 75 VAL H 2 18 TRP HE1 4.726 . 7.518 3.412 3.359 3.461 . 0 0 "[ . 1 . 2 .]" 1
1571 1 75 VAL HA 1 75 VAL HB 2.651 . 3.529 3.018 3.012 3.033 . 0 0 "[ . 1 . 2 .]" 1
1572 1 75 VAL HA 1 75 VAL QG 1.959 . 2.439 2.094 2.070 2.149 . 0 0 "[ . 1 . 2 .]" 1
1573 1 75 VAL HA 1 76 TYR H 3.098 . 4.297 3.524 3.510 3.543 . 0 0 "[ . 1 . 2 .]" 1
1574 1 75 VAL HA 1 76 TYR H 2.761 . 3.714 3.361 3.049 3.406 . 0 0 "[ . 1 . 2 .]" 1
1575 1 75 VAL HA 1 78 ASN H 2.860 . 3.882 3.348 3.250 3.513 . 0 0 "[ . 1 . 2 .]" 1
1576 1 75 VAL HA 1 78 ASN HD21 3.050 . 4.213 4.087 3.956 4.408 0.195 2 0 "[ . 1 . 2 .]" 1
1577 1 75 VAL HA 1 78 ASN HD22 3.402 . 4.849 4.281 3.335 4.537 . 0 0 "[ . 1 . 2 .]" 1
1578 1 75 VAL HA 1 79 GLU H 3.013 . 4.148 3.865 3.735 3.991 . 0 0 "[ . 1 . 2 .]" 1
1579 1 75 VAL HB 1 75 VAL QG 2.035 . 2.298 1.896 1.890 1.900 . 0 0 "[ . 1 . 2 .]" 1
1580 1 75 VAL HB 1 76 TYR H 2.458 . 3.213 2.643 2.478 2.785 . 0 0 "[ . 1 . 2 .]" 1
1581 1 75 VAL QG 1 76 TYR H 2.491 . 3.267 3.160 2.971 3.234 . 0 0 "[ . 1 . 2 .]" 1
1582 1 75 VAL QG 1 76 TYR H 2.247 . 2.878 2.772 2.666 2.817 . 0 0 "[ . 1 . 2 .]" 1
1583 1 75 VAL QG 1 76 TYR HA 2.929 . 4.002 3.307 2.981 3.424 . 0 0 "[ . 1 . 2 .]" 1
1584 1 75 VAL QG 1 76 TYR QE 2.476 . 3.243 3.294 3.231 3.349 0.106 25 0 "[ . 1 . 2 .]" 1
1585 1 75 VAL QG 1 78 ASN QB 2.569 . 3.394 3.197 3.042 3.441 0.047 24 0 "[ . 1 . 2 .]" 1
1586 1 75 VAL QG 1 79 GLU HG2 2.707 . 3.623 3.638 2.512 3.768 0.145 7 0 "[ . 1 . 2 .]" 1
1587 1 75 VAL QG 1 79 GLU HG3 2.751 . 3.697 2.647 2.489 3.872 0.175 13 0 "[ . 1 . 2 .]" 1
1588 1 75 VAL QG 2 11 GLU QG 2.956 . 4.048 5.066 4.817 5.265 1.217 10 25 [*********+***-***********] 1
1589 1 75 VAL QG 2 16 ALA MB 2.836 . 3.841 4.422 4.252 4.563 0.722 2 19 "[*+**** **1***** ** 2-** *]" 1
1590 1 76 TYR H 1 76 TYR HA 2.899 . 3.950 2.857 2.839 2.863 . 0 0 "[ . 1 . 2 .]" 1
1591 1 76 TYR H 1 76 TYR HB2 2.654 . 3.535 2.560 2.507 2.646 . 0 0 "[ . 1 . 2 .]" 1
1592 1 76 TYR H 1 76 TYR HB3 2.657 . 3.539 3.577 3.563 3.591 0.052 25 0 "[ . 1 . 2 .]" 1
1593 1 76 TYR H 1 79 GLU H 2.981 . 4.092 4.050 3.981 4.131 0.039 13 0 "[ . 1 . 2 .]" 1
1594 1 76 TYR H 1 77 ILE H 2.669 . 3.560 2.470 2.442 2.515 . 0 0 "[ . 1 . 2 .]" 1
1595 1 76 TYR H 1 77 ILE HB 3.271 . 4.608 4.316 4.266 4.397 . 0 0 "[ . 1 . 2 .]" 1
1596 1 76 TYR H 1 78 ASN H 3.477 . 4.988 3.980 3.910 4.162 . 0 0 "[ . 1 . 2 .]" 1
1597 1 76 TYR HA 1 76 TYR QD 2.556 . 3.373 2.160 1.995 2.392 . 0 0 "[ . 1 . 2 .]" 1
1598 1 76 TYR HA 1 77 ILE H 3.386 . 4.819 3.509 3.465 3.537 . 0 0 "[ . 1 . 2 .]" 1
1599 1 76 TYR HA 1 79 GLU H 3.025 . 4.169 3.163 3.066 3.352 . 0 0 "[ . 1 . 2 .]" 1
1600 1 76 TYR HA 1 79 GLU QB 2.919 . 3.900 2.305 2.121 3.675 . 0 0 "[ . 1 . 2 .]" 1
1601 1 76 TYR HB2 1 76 TYR HD2 2.644 . 3.518 2.345 2.326 2.403 . 0 0 "[ . 1 . 2 .]" 1
1602 1 76 TYR HB3 1 76 TYR HD2 2.639 . 3.509 3.353 3.213 3.475 . 0 0 "[ . 1 . 2 .]" 1
1603 1 77 ILE H 1 77 ILE HA 2.819 . 3.812 2.799 2.789 2.819 . 0 0 "[ . 1 . 2 .]" 1
1604 1 77 ILE H 1 77 ILE HB 2.624 . 3.485 2.418 2.360 2.484 . 0 0 "[ . 1 . 2 .]" 1
1605 1 77 ILE H 1 77 ILE MD 2.554 . 3.369 3.287 3.208 3.364 . 0 0 "[ . 1 . 2 .]" 1
1606 1 77 ILE H 1 78 ASN H 2.786 . 3.756 2.744 2.704 2.799 . 0 0 "[ . 1 . 2 .]" 1
1607 1 77 ILE H 1 79 GLU H 3.077 . 4.260 3.745 3.690 3.796 . 0 0 "[ . 1 . 2 .]" 1
1608 1 77 ILE HA 1 77 ILE HB 2.503 . 3.286 3.029 3.018 3.034 . 0 0 "[ . 1 . 2 .]" 1
1609 1 77 ILE HA 1 77 ILE HG13 3.002 . 4.128 2.670 2.600 2.789 . 0 0 "[ . 1 . 2 .]" 1
1610 1 77 ILE HA 1 77 ILE MG 2.200 . 2.805 2.546 2.513 2.570 . 0 0 "[ . 1 . 2 .]" 1
1611 1 77 ILE HA 1 78 ASN H 3.128 . 4.351 3.534 3.508 3.583 . 0 0 "[ . 1 . 2 .]" 1
1612 1 77 ILE HA 1 78 ASN H 3.095 . 4.293 3.287 3.242 3.361 . 0 0 "[ . 1 . 2 .]" 1
1613 1 77 ILE HB 1 77 ILE MD 2.692 . 3.598 2.352 2.325 2.378 . 0 0 "[ . 1 . 2 .]" 1
1614 1 77 ILE HB 2 10 LEU MD1 2.893 . 3.819 3.559 3.536 3.584 . 0 0 "[ . 1 . 2 .]" 1
1615 1 77 ILE HB 1 77 ILE MG 2.075 . 2.613 2.109 2.103 2.114 . 0 0 "[ . 1 . 2 .]" 1
1616 1 77 ILE HB 1 78 ASN H 2.682 . 3.581 2.358 2.255 2.531 . 0 0 "[ . 1 . 2 .]" 1
1617 1 77 ILE HB 2 10 LEU HG 3.220 . 4.516 3.448 3.273 3.588 . 0 0 "[ . 1 . 2 .]" 1
1618 1 77 ILE HB 2 10 LEU QB 3.607 . 5.233 3.889 3.811 3.925 . 0 0 "[ . 1 . 2 .]" 1
1619 1 77 ILE HB 2 14 PHE HD1 3.580 . 5.182 5.299 5.207 5.408 0.226 19 0 "[ . 1 . 2 .]" 1
1620 1 77 ILE MD 1 77 ILE HG13 3.125 . 4.345 2.115 2.110 2.118 . 0 0 "[ . 1 . 2 .]" 1
1621 1 77 ILE MD 1 77 ILE MG 1.786 . 2.185 2.134 2.060 2.184 . 0 0 "[ . 1 . 2 .]" 1
1622 1 77 ILE MD 1 77 ILE MG 2.121 . 2.683 1.769 1.740 1.796 . 0 0 "[ . 1 . 2 .]" 1
1623 1 77 ILE MD 2 14 PHE QR 2.554 . 3.369 3.563 3.464 3.672 0.303 21 0 "[ . 1 . 2 .]" 1
1624 1 77 ILE MG 1 78 ASN H 2.553 . 3.368 2.990 2.860 3.052 . 0 0 "[ . 1 . 2 .]" 1
1625 1 77 ILE MG 1 78 ASN HA 2.808 . 3.794 3.162 3.074 3.233 . 0 0 "[ . 1 . 2 .]" 1
1626 1 77 ILE MG 2 10 LEU MD2 2.451 . 3.202 3.003 2.713 3.199 . 0 0 "[ . 1 . 2 .]" 1
1627 1 77 ILE MG 2 14 PHE QE 2.507 . 3.293 2.879 2.819 2.937 . 0 0 "[ . 1 . 2 .]" 1
1628 1 77 ILE MG 2 14 PHE QE 2.202 . 2.808 2.789 2.723 2.850 0.042 19 0 "[ . 1 . 2 .]" 1
1629 1 78 ASN H 1 78 ASN HA 2.462 . 3.220 2.764 2.738 2.805 . 0 0 "[ . 1 . 2 .]" 1
1630 1 78 ASN H 1 78 ASN HB2 2.396 . 3.113 2.406 2.319 2.926 . 0 0 "[ . 1 . 2 .]" 1
1631 1 78 ASN H 1 78 ASN HD21 2.281 . 2.931 1.953 1.756 2.524 . 0 0 "[ . 1 . 2 .]" 1
1632 1 78 ASN H 1 78 ASN HD22 2.918 . 3.982 3.380 2.920 3.488 . 0 0 "[ . 1 . 2 .]" 1
1633 1 78 ASN H 1 79 GLU H 2.727 . 3.657 2.807 2.621 2.880 . 0 0 "[ . 1 . 2 .]" 1
1634 1 78 ASN H 1 79 GLU HG3 2.869 . 3.898 3.926 1.974 4.452 0.554 21 1 "[ . 1 . 2+ .]" 1
1635 1 78 ASN H 2 10 LEU QD 3.026 . 4.170 3.800 3.647 3.855 . 0 0 "[ . 1 . 2 .]" 1
1636 1 78 ASN H 2 14 PHE QR 5.452 . 9.167 5.584 5.376 5.804 . 0 0 "[ . 1 . 2 .]" 1
1637 1 78 ASN H 2 14 PHE QR 5.452 . 9.167 4.001 3.785 4.230 . 0 0 "[ . 1 . 2 .]" 1
1638 1 78 ASN HA 2 7 ASP HB2 3.313 . 4.685 3.975 3.469 4.616 . 0 0 "[ . 1 . 2 .]" 1
1639 1 78 ASN HA 1 78 ASN HB2 2.428 . 3.165 3.022 2.992 3.032 . 0 0 "[ . 1 . 2 .]" 1
1640 1 78 ASN HA 1 78 ASN HB3 2.530 . 3.330 2.536 2.331 2.575 . 0 0 "[ . 1 . 2 .]" 1
1641 1 78 ASN HA 1 78 ASN HD22 3.202 . 4.484 3.635 3.550 3.900 . 0 0 "[ . 1 . 2 .]" 1
1642 1 78 ASN HA 1 79 GLU H 3.135 . 4.364 3.554 3.482 3.581 . 0 0 "[ . 1 . 2 .]" 1
1643 1 78 ASN HA 1 81 CYS H 2.999 . 4.124 3.792 3.535 3.882 . 0 0 "[ . 1 . 2 .]" 1
1644 1 78 ASN HA 1 81 CYS HB2 3.016 . 4.153 3.928 2.646 4.141 . 0 0 "[ . 1 . 2 .]" 1
1645 1 78 ASN HA 1 81 CYS HB3 3.033 . 4.183 2.986 2.772 4.220 0.037 3 0 "[ . 1 . 2 .]" 1
1646 1 78 ASN HA 2 7 ASP HB3 3.376 . 4.801 4.225 3.706 4.793 . 0 0 "[ . 1 . 2 .]" 1
1647 1 78 ASN HA 2 10 LEU MD1 3.237 . 4.546 3.747 3.455 4.055 . 0 0 "[ . 1 . 2 .]" 1
1648 1 78 ASN HA 2 10 LEU MD2 2.513 . 3.302 2.276 2.059 2.463 . 0 0 "[ . 1 . 2 .]" 1
1649 1 78 ASN QB 2 10 LEU MD2 2.627 . 3.490 2.690 2.386 2.911 . 0 0 "[ . 1 . 2 .]" 1
1650 1 78 ASN HB2 1 78 ASN HD21 2.748 . 3.692 3.045 2.922 3.491 . 0 0 "[ . 1 . 2 .]" 1
1651 1 78 ASN HB2 1 79 GLU H 2.697 . 3.606 2.324 2.129 2.434 . 0 0 "[ . 1 . 2 .]" 1
1652 1 78 ASN HB3 1 78 ASN HD21 2.800 . 3.780 3.409 2.811 3.515 . 0 0 "[ . 1 . 2 .]" 1
1653 1 78 ASN HB3 1 82 THR MG 2.907 . 3.963 3.695 3.213 3.901 . 0 0 "[ . 1 . 2 .]" 1
1654 1 78 ASN HB3 2 10 LEU MD2 2.852 . 3.869 3.532 2.745 3.802 . 0 0 "[ . 1 . 2 .]" 1
1655 1 78 ASN HD21 1 79 GLU H 3.271 . 4.608 4.318 4.190 4.552 . 0 0 "[ . 1 . 2 .]" 1
1656 1 78 ASN HD21 2 10 LEU MD1 3.449 . 4.936 3.308 3.127 3.468 . 0 0 "[ . 1 . 2 .]" 1
1657 1 78 ASN HD21 2 15 THR MG 2.980 . 4.090 3.989 3.721 4.204 0.114 5 0 "[ . 1 . 2 .]" 1
1658 1 78 ASN HD22 2 10 LEU HA 3.291 . 4.645 4.667 4.592 5.313 0.668 24 1 "[ . 1 . 2 +.]" 1
1659 1 78 ASN HD22 2 11 GLU QG 3.668 . 5.350 3.238 2.837 3.462 . 0 0 "[ . 1 . 2 .]" 1
1660 1 79 GLU H 1 79 GLU HA 2.425 . 3.160 2.771 2.750 2.803 . 0 0 "[ . 1 . 2 .]" 1
1661 1 79 GLU H 1 79 GLU QB 2.358 . 3.053 2.382 2.303 2.824 . 0 0 "[ . 1 . 2 .]" 1
1662 1 79 GLU H 1 79 GLU HG2 2.616 . 3.472 3.351 1.887 3.523 0.051 24 0 "[ . 1 . 2 .]" 1
1663 1 79 GLU H 1 79 GLU HG3 2.641 . 3.513 2.482 2.334 3.722 0.209 21 0 "[ . 1 . 2 .]" 1
1664 1 79 GLU H 1 80 LEU H 2.514 . 3.304 2.916 2.840 3.022 . 0 0 "[ . 1 . 2 .]" 1
1665 1 79 GLU HA 1 80 LEU H 2.627 . 3.490 3.525 3.515 3.538 0.048 13 0 "[ . 1 . 2 .]" 1
1666 1 79 GLU HA 1 83 VAL H 2.952 . 4.041 3.195 3.102 3.236 . 0 0 "[ . 1 . 2 .]" 1
1667 1 79 GLU HA 1 82 THR H 2.668 . 3.558 3.199 3.034 3.261 . 0 0 "[ . 1 . 2 .]" 1
1668 1 79 GLU HA 1 82 THR HB 2.808 . 3.794 3.081 2.807 3.326 . 0 0 "[ . 1 . 2 .]" 1
1669 1 79 GLU HA 1 83 VAL QG 2.657 . 3.540 3.160 3.014 3.538 . 0 0 "[ . 1 . 2 .]" 1
1670 1 79 GLU QB 1 80 LEU H 2.287 . 2.941 2.163 2.090 3.011 0.070 13 0 "[ . 1 . 2 .]" 1
1671 1 79 GLU QB 1 83 VAL QG 2.696 . 3.605 2.682 2.468 2.880 . 0 0 "[ . 1 . 2 .]" 1
1672 1 80 LEU H 1 80 LEU HA 2.400 . 3.120 2.740 2.731 2.763 . 0 0 "[ . 1 . 2 .]" 1
1673 1 80 LEU H 1 80 LEU HB3 2.533 . 3.335 2.677 2.484 2.838 . 0 0 "[ . 1 . 2 .]" 1
1674 1 80 LEU H 1 81 CYS H 2.642 . 3.514 2.906 2.849 2.968 . 0 0 "[ . 1 . 2 .]" 1
1675 1 80 LEU H 1 82 THR H 2.877 . 3.912 3.740 3.677 3.798 . 0 0 "[ . 1 . 2 .]" 1
1676 1 80 LEU HA 1 80 LEU HB2 2.087 . 2.631 2.531 2.428 2.616 . 0 0 "[ . 1 . 2 .]" 1
1677 1 80 LEU HA 1 80 LEU HB3 2.681 . 3.580 3.009 2.993 3.019 . 0 0 "[ . 1 . 2 .]" 1
1678 1 80 LEU HA 1 80 LEU MD1 1.960 . 2.440 1.860 1.741 2.092 . 0 0 "[ . 1 . 2 .]" 1
1679 1 80 LEU HA 1 83 VAL HB 2.577 . 3.407 2.199 2.114 2.298 . 0 0 "[ . 1 . 2 .]" 1
1680 1 80 LEU HA 1 83 VAL QG 2.363 . 2.972 2.621 2.308 2.686 . 0 0 "[ . 1 . 2 .]" 1
1681 1 80 LEU HB2 1 80 LEU MD2 2.438 . 3.181 2.209 2.139 2.283 . 0 0 "[ . 1 . 2 .]" 1
1682 1 80 LEU HB3 1 80 LEU MD2 2.142 . 2.716 2.401 2.322 2.475 . 0 0 "[ . 1 . 2 .]" 1
1683 1 80 LEU HB3 1 81 CYS H 2.906 . 3.961 2.522 2.439 2.621 . 0 0 "[ . 1 . 2 .]" 1
1684 1 80 LEU QD 1 81 CYS H 2.952 . 4.041 3.706 3.661 3.762 . 0 0 "[ . 1 . 2 .]" 1
1685 1 80 LEU MD1 1 80 LEU HG 2.060 . 2.590 2.136 2.132 2.138 . 0 0 "[ . 1 . 2 .]" 1
1686 1 80 LEU MD1 1 83 VAL H 3.137 . 4.367 4.379 4.305 4.406 0.039 19 0 "[ . 1 . 2 .]" 1
1687 1 80 LEU MD1 1 83 VAL QG 2.044 . 2.566 2.607 2.547 2.636 0.070 24 0 "[ . 1 . 2 .]" 1
1688 1 81 CYS H 1 81 CYS HA 2.780 . 3.746 2.831 2.800 2.850 . 0 0 "[ . 1 . 2 .]" 1
1689 1 81 CYS H 1 81 CYS HB2 2.918 . 3.982 2.574 2.422 2.636 . 0 0 "[ . 1 . 2 .]" 1
1690 1 81 CYS H 1 81 CYS HB3 2.843 . 3.853 2.515 2.407 3.592 . 0 0 "[ . 1 . 2 .]" 1
1691 1 81 CYS H 1 82 THR H 2.899 . 3.950 2.697 2.621 2.849 . 0 0 "[ . 1 . 2 .]" 1
1692 1 81 CYS HA 1 81 CYS HB2 2.903 . 3.956 2.469 2.414 3.023 . 0 0 "[ . 1 . 2 .]" 1
1693 1 81 CYS HA 1 81 CYS HB3 2.798 . 3.776 3.011 2.547 3.037 . 0 0 "[ . 1 . 2 .]" 1
1694 1 81 CYS HA 1 82 THR H 2.631 . 3.496 2.747 2.733 2.760 . 0 0 "[ . 1 . 2 .]" 1
1695 1 81 CYS HA 1 84 LEU MD2 2.963 . 4.061 4.209 4.156 4.279 0.218 3 0 "[ . 1 . 2 .]" 1
1696 1 81 CYS HA 1 85 LYS H 3.042 . 4.199 4.039 3.961 4.089 . 0 0 "[ . 1 . 2 .]" 1
1697 1 81 CYS HA 1 84 LEU MD1 2.530 . 3.330 2.126 1.971 2.374 . 0 0 "[ . 1 . 2 .]" 1
1698 1 81 CYS HB2 1 82 THR H 3.065 . 4.239 3.834 2.473 3.957 . 0 0 "[ . 1 . 2 .]" 1
1699 1 81 CYS HB3 1 82 THR H 3.147 . 4.385 2.594 2.453 3.356 . 0 0 "[ . 1 . 2 .]" 1
1700 1 82 THR H 1 82 THR HA 2.890 . 3.934 2.858 2.838 2.876 . 0 0 "[ . 1 . 2 .]" 1
1701 1 82 THR H 1 82 THR HB 2.525 . 3.322 2.632 2.567 2.724 . 0 0 "[ . 1 . 2 .]" 1
1702 1 82 THR H 1 83 VAL H 2.638 . 3.508 2.426 2.365 2.502 . 0 0 "[ . 1 . 2 .]" 1
1703 1 82 THR HA 1 82 THR MG 1.948 . 2.422 2.326 2.282 2.361 . 0 0 "[ . 1 . 2 .]" 1
1704 1 82 THR HA 1 85 LYS H 2.918 . 3.982 3.423 3.266 3.553 . 0 0 "[ . 1 . 2 .]" 1
1705 1 82 THR HA 1 85 LYS HB2 3.119 . 4.335 3.440 3.285 3.702 . 0 0 "[ . 1 . 2 .]" 1
1706 1 82 THR HA 2 7 ASP HB3 3.052 . 4.217 3.286 2.118 4.239 0.022 14 0 "[ . 1 . 2 .]" 1
1707 1 82 THR HB 1 82 THR MG 1.983 . 2.475 2.136 2.132 2.139 . 0 0 "[ . 1 . 2 .]" 1
1708 1 82 THR HB 1 83 VAL H 2.626 . 3.488 2.604 2.422 2.751 . 0 0 "[ . 1 . 2 .]" 1
1709 1 82 THR MG 1 83 VAL H 2.394 . 3.110 2.345 2.273 2.401 . 0 0 "[ . 1 . 2 .]" 1
1710 1 82 THR MG 1 85 LYS H 2.732 . 3.665 3.622 3.583 3.657 . 0 0 "[ . 1 . 2 .]" 1
1711 1 82 THR MG 1 85 LYS H 2.939 . 4.019 3.997 3.715 4.094 0.075 9 0 "[ . 1 . 2 .]" 1
1712 1 82 THR MG 1 86 ALA H 2.939 . 4.019 3.594 3.425 3.785 . 0 0 "[ . 1 . 2 .]" 1
1713 1 82 THR MG 2 6 SER HA 2.717 . 3.640 3.048 2.144 3.718 0.078 19 0 "[ . 1 . 2 .]" 1
1714 1 83 VAL H 1 83 VAL HA 2.455 . 3.208 2.755 2.745 2.766 . 0 0 "[ . 1 . 2 .]" 1
1715 1 83 VAL H 1 83 VAL HB 2.270 . 2.914 2.244 2.210 2.314 . 0 0 "[ . 1 . 2 .]" 1
1716 1 83 VAL H 1 83 VAL QG 2.056 . 2.584 2.373 2.295 2.431 . 0 0 "[ . 1 . 2 .]" 1
1717 1 83 VAL H 1 84 LEU H 2.649 . 3.526 2.751 2.728 2.807 . 0 0 "[ . 1 . 2 .]" 1
1718 1 83 VAL H 1 84 LEU HB2 3.194 . 4.469 4.072 4.000 4.165 . 0 0 "[ . 1 . 2 .]" 1
1719 1 83 VAL H 1 85 LYS H 3.181 . 4.446 4.477 4.435 4.542 0.096 3 0 "[ . 1 . 2 .]" 1
1720 1 83 VAL HA 1 83 VAL HB 2.330 . 3.009 2.996 2.988 3.010 0.001 13 0 "[ . 1 . 2 .]" 1
1721 1 83 VAL HA 1 83 VAL QG 2.076 . 2.440 2.123 2.106 2.151 . 0 0 "[ . 1 . 2 .]" 1
1722 1 83 VAL HA 1 83 VAL QG 1.887 . 2.332 2.020 1.981 2.052 . 0 0 "[ . 1 . 2 .]" 1
1723 1 83 VAL HA 1 84 LEU H 2.949 . 4.036 3.513 3.499 3.531 . 0 0 "[ . 1 . 2 .]" 1
1724 1 83 VAL HA 1 86 ALA H 2.709 . 3.626 3.653 3.619 3.681 0.055 22 0 "[ . 1 . 2 .]" 1
1725 1 83 VAL HA 1 87 HIS H 2.886 . 3.927 3.350 3.247 3.389 . 0 0 "[ . 1 . 2 .]" 1
1726 1 83 VAL HB 1 83 VAL QG 1.987 . 2.448 1.889 1.886 1.892 . 0 0 "[ . 1 . 2 .]" 1
1727 1 83 VAL HB 1 84 LEU H 2.566 . 3.389 2.672 2.551 2.751 . 0 0 "[ . 1 . 2 .]" 1
1728 1 83 VAL QG 1 84 LEU H 2.380 . 3.088 2.885 2.792 2.963 . 0 0 "[ . 1 . 2 .]" 1
1729 1 83 VAL QG 1 84 LEU H 2.497 . 3.276 2.766 2.696 2.824 . 0 0 "[ . 1 . 2 .]" 1
1730 1 83 VAL QG 1 84 LEU HA 2.516 . 3.307 2.954 2.882 3.062 . 0 0 "[ . 1 . 2 .]" 1
1731 1 83 VAL QG 1 84 LEU MD2 2.291 . 2.947 2.940 2.589 3.044 0.097 20 0 "[ . 1 . 2 .]" 1
1732 1 83 VAL QG 1 87 HIS HD2 2.421 . 3.154 2.184 1.904 2.373 . 0 0 "[ . 1 . 2 .]" 1
1733 1 83 VAL QG 1 87 HIS HD2 2.391 . 3.106 2.271 1.923 2.532 . 0 0 "[ . 1 . 2 .]" 1
1734 1 84 LEU H 1 84 LEU HA 2.764 . 3.719 2.778 2.755 2.818 . 0 0 "[ . 1 . 2 .]" 1
1735 1 84 LEU H 1 84 LEU HB2 2.932 . 4.007 2.466 2.423 2.502 . 0 0 "[ . 1 . 2 .]" 1
1736 1 84 LEU H 1 84 LEU HB2 2.335 . 3.016 2.026 1.982 2.076 . 0 0 "[ . 1 . 2 .]" 1
1737 1 84 LEU H 1 84 LEU HB3 3.132 . 4.358 3.125 3.086 3.215 . 0 0 "[ . 1 . 2 .]" 1
1738 1 84 LEU H 1 84 LEU MD1 2.689 . 3.593 3.507 3.455 3.563 . 0 0 "[ . 1 . 2 .]" 1
1739 1 84 LEU H 1 84 LEU MD2 2.600 . 3.445 3.261 3.143 3.344 . 0 0 "[ . 1 . 2 .]" 1
1740 1 84 LEU H 1 84 LEU HG 2.799 . 3.779 2.156 2.083 2.258 . 0 0 "[ . 1 . 2 .]" 1
1741 1 84 LEU HA 1 84 LEU HB3 2.581 . 3.414 2.486 2.451 2.515 . 0 0 "[ . 1 . 2 .]" 1
1742 1 84 LEU HA 1 84 LEU MD2 2.153 . 2.732 1.987 1.896 2.048 . 0 0 "[ . 1 . 2 .]" 1
1743 1 84 LEU HA 1 84 LEU HG 2.462 . 3.220 3.012 2.965 3.077 . 0 0 "[ . 1 . 2 .]" 1
1744 1 84 LEU HA 1 85 LYS H 2.748 . 3.692 3.583 3.565 3.600 . 0 0 "[ . 1 . 2 .]" 1
1745 1 84 LEU HA 1 87 HIS H 2.993 . 4.113 3.484 3.380 3.583 . 0 0 "[ . 1 . 2 .]" 1
1746 1 84 LEU HB2 1 84 LEU MD1 2.469 . 3.231 2.354 2.329 2.404 . 0 0 "[ . 1 . 2 .]" 1
1747 1 84 LEU HB2 1 84 LEU MD2 2.722 . 3.648 3.181 3.170 3.190 . 0 0 "[ . 1 . 2 .]" 1
1748 1 84 LEU HB3 1 84 LEU MD1 2.859 . 3.881 2.402 2.373 2.429 . 0 0 "[ . 1 . 2 .]" 1
1749 1 84 LEU HB3 1 84 LEU MD2 2.995 . 4.116 2.314 2.280 2.360 . 0 0 "[ . 1 . 2 .]" 1
1750 1 84 LEU HB3 1 84 LEU HG 2.631 . 3.496 3.017 3.013 3.019 . 0 0 "[ . 1 . 2 .]" 1
1751 1 84 LEU MD1 1 84 LEU MD2 1.680 . 2.033 2.056 2.044 2.065 0.032 10 0 "[ . 1 . 2 .]" 1
1752 1 84 LEU MD1 1 84 LEU HG 1.948 . 2.422 2.120 2.112 2.123 . 0 0 "[ . 1 . 2 .]" 1
1753 1 84 LEU MD1 1 85 LYS H 3.436 . 4.912 4.390 4.320 4.533 . 0 0 "[ . 1 . 2 .]" 1
1754 1 84 LEU MD2 1 84 LEU HG 2.096 . 2.645 2.113 2.109 2.118 . 0 0 "[ . 1 . 2 .]" 1
1755 1 85 LYS H 1 85 LYS HA 2.236 . 2.861 2.880 2.873 2.891 0.030 3 0 "[ . 1 . 2 .]" 1
1756 1 85 LYS H 1 85 LYS HB2 2.567 . 3.391 2.220 2.152 2.262 . 0 0 "[ . 1 . 2 .]" 1
1757 1 85 LYS H 1 85 LYS HB3 2.513 . 3.302 3.484 3.344 3.544 0.242 21 0 "[ . 1 . 2 .]" 1
1758 1 85 LYS H 1 85 LYS HG2 2.674 . 3.568 3.179 2.925 3.583 0.015 12 0 "[ . 1 . 2 .]" 1
1759 1 85 LYS H 1 86 ALA H 2.581 . 3.414 2.399 2.360 2.427 . 0 0 "[ . 1 . 2 .]" 1
1760 1 85 LYS H 1 87 HIS H 3.280 . 4.625 4.211 4.078 4.306 . 0 0 "[ . 1 . 2 .]" 1
1761 1 85 LYS HA 1 85 LYS HB2 2.652 . 3.531 2.943 2.870 2.974 . 0 0 "[ . 1 . 2 .]" 1
1762 1 85 LYS HA 1 85 LYS HB3 2.619 . 3.476 2.676 2.613 2.785 . 0 0 "[ . 1 . 2 .]" 1
1763 1 85 LYS HA 1 85 LYS HD2 2.188 . 2.787 2.492 1.586 3.333 0.546 12 1 "[ . 1 + . 2 .]" 1
1764 1 85 LYS HA 1 85 LYS HG2 2.184 . 2.780 2.712 2.445 2.810 0.030 17 0 "[ . 1 . 2 .]" 1
1765 1 85 LYS HB2 1 86 ALA H 2.724 . 3.652 3.168 3.016 3.362 . 0 0 "[ . 1 . 2 .]" 1
1766 1 85 LYS HB3 1 86 ALA H 2.810 . 3.797 3.548 3.352 3.672 . 0 0 "[ . 1 . 2 .]" 1
1767 1 85 LYS HB3 1 88 SER H 3.004 . 4.132 4.058 3.576 4.212 0.080 6 0 "[ . 1 . 2 .]" 1
1768 1 85 LYS QD 1 86 ALA H 3.313 . 4.685 4.720 4.506 4.833 0.148 18 0 "[ . 1 . 2 .]" 1
1769 1 85 LYS QD 1 88 SER H 3.370 . 4.790 4.388 3.847 4.834 0.044 24 0 "[ . 1 . 2 .]" 1
1770 1 85 LYS QD 1 89 ALA H 3.327 . 4.710 4.877 4.690 5.014 0.304 25 0 "[ . 1 . 2 .]" 1
1771 1 86 ALA H 1 86 ALA HA 2.300 . 2.961 2.807 2.774 2.845 . 0 0 "[ . 1 . 2 .]" 1
1772 1 86 ALA H 1 86 ALA MB 1.920 . 2.381 2.247 2.239 2.256 . 0 0 "[ . 1 . 2 .]" 1
1773 1 86 ALA H 1 87 HIS H 2.550 . 3.363 2.713 2.564 2.794 . 0 0 "[ . 1 . 2 .]" 1
1774 1 86 ALA HA 1 86 ALA MB 1.755 . 2.140 2.128 2.124 2.133 . 0 0 "[ . 1 . 2 .]" 1
1775 1 86 ALA HA 1 87 HIS H 2.864 . 3.889 3.527 3.493 3.575 . 0 0 "[ . 1 . 2 .]" 1
1776 1 86 ALA MB 1 87 HIS H 2.318 . 2.990 2.707 2.487 2.869 . 0 0 "[ . 1 . 2 .]" 1
1777 1 86 ALA MB 1 87 HIS HA 2.893 . 3.939 3.919 3.817 4.014 0.075 3 0 "[ . 1 . 2 .]" 1
1778 1 86 ALA MB 1 87 HIS HD2 2.529 . 3.329 2.927 2.704 3.201 . 0 0 "[ . 1 . 2 .]" 1
1779 1 86 ALA MB 1 87 HIS HE1 2.712 . 3.631 3.697 3.658 3.752 0.121 19 0 "[ . 1 . 2 .]" 1
1780 1 87 HIS H 1 87 HIS HA 2.230 . 2.852 2.914 2.905 2.932 0.080 6 0 "[ . 1 . 2 .]" 1
1781 1 87 HIS H 1 87 HIS HB2 2.891 . 3.936 2.663 2.595 2.775 . 0 0 "[ . 1 . 2 .]" 1
1782 1 87 HIS H 1 87 HIS HB3 2.715 . 3.636 3.743 3.698 3.805 0.169 3 0 "[ . 1 . 2 .]" 1
1783 1 87 HIS H 1 87 HIS HD2 2.473 . 3.237 3.255 3.169 3.300 0.063 21 0 "[ . 1 . 2 .]" 1
1784 1 87 HIS HA 1 87 HIS HB2 2.230 . 2.852 2.991 2.985 3.017 0.165 6 0 "[ . 1 . 2 .]" 1
1785 1 87 HIS HA 1 87 HIS HB3 2.337 . 3.020 2.391 2.370 2.412 . 0 0 "[ . 1 . 2 .]" 1
1786 1 87 HIS HA 1 88 SER H 2.465 . 3.225 3.347 3.181 3.528 0.303 24 0 "[ . 1 . 2 .]" 1
1787 1 87 HIS HA 1 88 SER H 2.341 . 3.026 2.750 2.697 2.782 . 0 0 "[ . 1 . 2 .]" 1
1788 1 87 HIS HB2 1 88 SER H 3.197 . 4.474 3.327 2.440 3.768 . 0 0 "[ . 1 . 2 .]" 1
1789 1 87 HIS HB3 1 87 HIS HD2 3.078 . 4.262 3.796 3.759 3.829 . 0 0 "[ . 1 . 2 .]" 1
1790 1 88 SER H 1 88 SER HA 2.591 . 3.430 2.926 2.890 2.939 . 0 0 "[ . 1 . 2 .]" 1
1791 1 88 SER H 1 88 SER QB 2.328 . 3.005 2.886 2.527 3.027 0.022 19 0 "[ . 1 . 2 .]" 1
1792 1 88 SER H 1 89 ALA H 3.113 . 4.324 4.335 4.172 4.472 0.148 24 0 "[ . 1 . 2 .]" 1
1793 1 88 SER HA 1 88 SER QB 2.256 . 2.709 2.193 2.152 2.260 . 0 0 "[ . 1 . 2 .]" 1
1794 1 88 SER HA 1 88 SER QB 2.041 . 2.562 1.984 1.925 2.058 . 0 0 "[ . 1 . 2 .]" 1
1795 1 88 SER HA 1 89 ALA H 2.269 . 2.912 2.371 1.984 2.774 . 0 0 "[ . 1 . 2 .]" 1
1796 1 88 SER QB 1 89 ALA H 2.719 . 3.643 2.557 2.154 3.144 . 0 0 "[ . 1 . 2 .]" 1
1797 1 89 ALA H 1 89 ALA HA 2.579 . 3.411 2.456 2.235 2.926 . 0 0 "[ . 1 . 2 .]" 1
1798 1 89 ALA H 1 89 ALA MB 2.204 . 2.811 2.601 2.134 2.863 0.052 24 0 "[ . 1 . 2 .]" 1
1799 1 89 ALA H 1 90 LYS H 3.398 . 4.841 3.436 2.453 4.536 . 0 0 "[ . 1 . 2 .]" 1
1800 1 89 ALA HA 1 89 ALA MB 1.764 . 2.153 2.116 2.106 2.129 . 0 0 "[ . 1 . 2 .]" 1
1801 1 89 ALA HA 1 90 LYS H 2.548 . 3.359 2.511 2.131 3.056 . 0 0 "[ . 1 . 2 .]" 1
1802 1 89 ALA MB 1 90 LYS H 2.611 . 3.463 3.331 1.794 3.687 0.224 25 0 "[ . 1 . 2 .]" 1
1803 1 89 ALA MB 1 91 LYS H 2.781 . 3.748 3.334 2.212 3.767 0.019 2 0 "[ . 1 . 2 .]" 1
1804 1 90 LYS H 1 91 LYS QB 2.652 . 3.531 3.443 3.055 3.736 0.205 15 0 "[ . 1 . 2 .]" 1
1805 1 91 LYS H 1 91 LYS HA 2.276 . 2.924 2.835 2.255 2.928 0.004 11 0 "[ . 1 . 2 .]" 1
1806 1 91 LYS H 1 91 LYS QB 2.525 . 3.322 2.277 2.064 3.274 . 0 0 "[ . 1 . 2 .]" 1
1807 1 91 LYS HA 1 91 LYS QB 1.872 . 2.310 2.242 1.922 2.350 0.040 12 0 "[ . 1 . 2 .]" 1
1808 1 91 LYS HA 1 91 LYS QG 2.150 . 2.728 2.621 2.356 2.901 0.173 14 0 "[ . 1 . 2 .]" 1
1809 1 91 LYS QD 1 94 ASN H 3.496 . 5.024 4.041 2.390 4.970 . 0 0 "[ . 1 . 2 .]" 1
1810 1 91 LYS QG 1 92 LYS H 2.885 . 3.925 3.253 2.036 4.061 0.136 24 0 "[ . 1 . 2 .]" 1
1811 1 91 LYS QG 1 93 LEU H 3.238 . 4.549 4.022 2.064 4.670 0.121 18 0 "[ . 1 . 2 .]" 1
1812 1 92 LYS H 1 92 LYS HB2 2.544 . 3.353 2.996 2.312 3.927 0.574 24 2 "[ . 1 . -2 +.]" 1
1813 1 92 LYS H 1 92 LYS QD 2.445 . 3.192 2.591 1.405 3.311 0.293 25 0 "[ . 1 . 2 .]" 1
1814 1 92 LYS HB2 1 93 LEU H 2.981 . 4.092 3.426 1.790 4.171 0.080 10 0 "[ . 1 . 2 .]" 1
1815 1 93 LEU H 1 93 LEU QB 2.266 . 2.908 2.381 1.975 3.087 0.179 12 0 "[ . 1 . 2 .]" 1
1816 1 93 LEU H 1 93 LEU QD 3.348 . 4.749 2.824 1.880 3.782 0.067 19 0 "[ . 1 . 2 .]" 1
1817 1 93 LEU H 1 93 LEU HG 2.938 . 4.017 3.293 1.972 4.368 0.351 17 0 "[ . 1 . 2 .]" 1
1818 1 93 LEU H 1 94 ASN H 2.821 . 3.815 2.547 1.817 3.657 0.010 15 0 "[ . 1 . 2 .]" 1
1819 1 93 LEU HA 1 93 LEU QB 2.268 . 2.911 2.374 2.281 2.493 . 0 0 "[ . 1 . 2 .]" 1
1820 1 93 LEU HA 1 93 LEU QD 2.103 . 2.656 2.103 1.846 2.620 . 0 0 "[ . 1 . 2 .]" 1
1821 1 93 LEU QB 1 93 LEU QD 1.921 . 2.382 1.966 1.906 2.068 . 0 0 "[ . 1 . 2 .]" 1
1822 1 93 LEU QB 1 94 ASN H 2.794 . 3.633 2.668 1.895 3.132 . 0 0 "[ . 1 . 2 .]" 1
1823 1 93 LEU QB 1 94 ASN HD21 2.627 . 3.490 2.976 2.128 4.027 0.537 21 1 "[ . 1 . 2+ .]" 1
1824 1 94 ASN H 1 94 ASN HA 2.189 . 2.788 2.891 2.817 2.922 0.134 6 0 "[ . 1 . 2 .]" 1
1825 1 94 ASN H 1 94 ASN HB2 2.895 . 3.942 2.971 2.350 4.002 0.060 3 0 "[ . 1 . 2 .]" 1
1826 1 94 ASN H 1 94 ASN HB3 2.685 . 3.586 3.567 3.232 3.732 0.146 22 0 "[ . 1 . 2 .]" 1
1827 1 94 ASN HA 1 94 ASN HB2 2.425 . 3.160 2.834 2.403 3.026 . 0 0 "[ . 1 . 2 .]" 1
1828 1 94 ASN HA 1 94 ASN HB3 2.187 . 2.785 2.482 2.332 2.650 . 0 0 "[ . 1 . 2 .]" 1
1829 2 1 GLY H1 2 3 GLN QE 3.173 . 4.432 4.350 2.237 5.912 1.480 21 8 "[* - . 1 . ***+* *]" 1
1830 2 1 GLY H1 2 3 GLN QG 3.388 . 4.823 4.086 2.412 6.138 1.315 15 3 "[ . * + - .]" 1
1831 2 2 SER HA 2 3 GLN QG 3.500 . 5.032 4.446 3.628 4.884 . 0 0 "[ . 1 . 2 .]" 1
1832 2 3 GLN HA 2 3 GLN HB2 2.482 . 3.252 3.014 2.898 3.026 . 0 0 "[ . 1 . 2 .]" 1
1833 2 3 GLN HA 2 3 GLN HB3 2.424 . 3.159 2.448 2.239 2.549 . 0 0 "[ . 1 . 2 .]" 1
1834 2 3 GLN HA 2 3 GLN QG 3.053 . 3.091 2.841 2.439 2.998 . 0 0 "[ . 1 . 2 .]" 1
1835 2 3 GLN HB2 2 3 GLN QG 1.955 . 2.051 2.200 2.129 2.413 0.362 6 0 "[ . 1 . 2 .]" 1
1836 2 3 GLN HB3 2 3 GLN QG 1.888 . 2.333 2.301 2.110 2.359 0.026 14 0 "[ . 1 . 2 .]" 1
1837 2 3 GLN QE 2 3 GLN QG 2.735 . 3.670 2.191 2.109 2.680 . 0 0 "[ . 1 . 2 .]" 1
1838 2 4 GLU H 2 4 GLU HA 2.472 . 3.236 2.671 2.214 2.947 . 0 0 "[ . 1 . 2 .]" 1
1839 2 4 GLU H 2 4 GLU HB2 2.780 . 3.746 3.277 2.480 3.921 0.175 5 0 "[ . 1 . 2 .]" 1
1840 2 4 GLU H 2 4 GLU HB3 2.757 . 3.707 3.484 2.436 3.999 0.292 6 0 "[ . 1 . 2 .]" 1
1841 2 4 GLU H 2 4 GLU HB3 2.786 . 3.756 2.361 2.125 2.743 . 0 0 "[ . 1 . 2 .]" 1
1842 2 4 GLU H 2 4 GLU QG 2.945 . 4.029 2.851 1.855 4.198 0.169 10 0 "[ . 1 . 2 .]" 1
1843 2 4 GLU H 2 5 ASP H 3.478 . 4.990 4.132 1.969 4.673 . 0 0 "[ . 1 . 2 .]" 1
1844 2 4 GLU HA 2 4 GLU HB2 2.171 . 2.760 2.798 2.389 3.031 0.271 21 0 "[ . 1 . 2 .]" 1
1845 2 4 GLU HA 2 5 ASP H 2.319 . 2.991 2.489 2.115 3.338 0.347 9 0 "[ . 1 . 2 .]" 1
1846 2 4 GLU QB 2 6 SER HA 3.091 . 4.285 4.012 3.371 4.610 0.325 12 0 "[ . 1 . 2 .]" 1
1847 2 4 GLU HB2 2 5 ASP H 2.968 . 4.069 3.486 1.962 4.315 0.246 3 0 "[ . 1 . 2 .]" 1
1848 2 4 GLU HB3 2 5 ASP H 2.933 . 4.008 3.300 1.829 4.286 0.278 16 0 "[ . 1 . 2 .]" 1
1849 2 4 GLU HB3 2 5 ASP HB2 3.444 . 4.926 2.538 1.860 3.679 0.102 7 0 "[ . 1 . 2 .]" 1
1850 2 4 GLU HB3 2 6 SER H 3.466 . 4.968 3.747 1.940 5.236 0.268 19 0 "[ . 1 . 2 .]" 1
1851 2 4 GLU HB3 2 6 SER HB2 2.932 . 4.007 3.681 3.095 4.186 0.179 5 0 "[ . 1 . 2 .]" 1
1852 2 4 GLU QG 2 5 ASP H 3.171 . 4.428 3.387 2.170 4.229 . 0 0 "[ . 1 . 2 .]" 1
1853 2 5 ASP H 2 5 ASP HA 2.617 . 3.473 2.878 2.775 2.932 . 0 0 "[ . 1 . 2 .]" 1
1854 2 5 ASP H 2 5 ASP HB2 2.583 . 3.417 2.458 2.077 3.014 . 0 0 "[ . 1 . 2 .]" 1
1855 2 5 ASP H 2 5 ASP HB3 2.477 . 3.244 3.449 2.483 3.690 0.446 19 0 "[ . 1 . 2 .]" 1
1856 2 5 ASP HA 2 5 ASP HB2 2.314 . 2.984 2.158 2.051 2.246 . 0 0 "[ . 1 . 2 .]" 1
1857 2 5 ASP HA 2 5 ASP HB3 2.242 . 2.870 2.208 2.135 2.334 . 0 0 "[ . 1 . 2 .]" 1
1858 2 5 ASP HA 2 6 SER H 2.609 . 3.460 2.616 2.089 3.501 0.041 16 0 "[ . 1 . 2 .]" 1
1859 2 5 ASP HB2 2 6 SER HB3 3.198 . 4.476 3.798 3.336 4.277 . 0 0 "[ . 1 . 2 .]" 1
1860 2 5 ASP QB 2 8 SER HB3 3.272 . 4.610 3.794 3.207 4.516 . 0 0 "[ . 1 . 2 .]" 1
1861 2 5 ASP QB 2 8 SER HB2 3.085 . 4.275 3.373 2.117 4.169 . 0 0 "[ . 1 . 2 .]" 1
1862 2 5 ASP QB 2 9 GLU HA 2.834 . 3.838 2.655 2.289 3.238 . 0 0 "[ . 1 . 2 .]" 1
1863 2 5 ASP QB 2 12 GLN HG2 3.416 . 4.874 4.425 4.002 4.912 0.038 21 0 "[ . 1 . 2 .]" 1
1864 2 5 ASP HB2 2 10 LEU H 3.822 . 5.648 4.628 4.438 4.840 . 0 0 "[ . 1 . 2 .]" 1
1865 2 5 ASP HB2 2 9 GLU HA 3.382 . 4.812 3.238 2.491 4.359 . 0 0 "[ . 1 . 2 .]" 1
1866 2 5 ASP HB2 2 9 GLU QG 3.455 . 4.947 3.510 1.847 4.411 0.116 22 0 "[ . 1 . 2 .]" 1
1867 2 5 ASP HB3 2 6 SER H 3.062 . 4.234 3.107 1.818 4.007 0.072 16 0 "[ . 1 . 2 .]" 1
1868 2 5 ASP HB3 2 6 SER HA 3.497 . 5.025 4.804 4.284 5.605 0.580 1 1 "[+ . 1 . 2 .]" 1
1869 2 5 ASP HB3 2 10 LEU H 3.403 . 4.851 4.679 4.290 5.202 0.351 3 0 "[ . 1 . 2 .]" 1
1870 2 5 ASP HB3 2 9 GLU HA 3.348 . 4.749 2.962 2.451 3.780 . 0 0 "[ . 1 . 2 .]" 1
1871 2 5 ASP HB3 2 9 GLU QB 3.352 . 4.756 2.523 1.800 4.212 0.148 14 0 "[ . 1 . 2 .]" 1
1872 2 5 ASP HB3 2 9 GLU QG 3.518 . 5.065 3.937 2.319 4.760 . 0 0 "[ . 1 . 2 .]" 1
1873 2 6 SER H 2 6 SER HB2 2.686 . 3.588 2.429 2.104 2.781 . 0 0 "[ . 1 . 2 .]" 1
1874 2 6 SER H 2 6 SER HA 2.920 . 3.986 2.731 2.204 2.928 . 0 0 "[ . 1 . 2 .]" 1
1875 2 6 SER H 2 6 SER HB2 2.703 . 3.617 3.203 2.430 3.913 0.296 22 0 "[ . 1 . 2 .]" 1
1876 2 6 SER H 2 6 SER HB2 2.604 . 3.451 2.771 2.384 3.300 . 0 0 "[ . 1 . 2 .]" 1
1877 2 6 SER H 2 6 SER HB3 2.657 . 3.540 3.102 2.351 3.917 0.377 14 0 "[ . 1 . 2 .]" 1
1878 2 6 SER H 2 7 ASP H 3.547 . 5.120 3.410 2.429 4.601 . 0 0 "[ . 1 . 2 .]" 1
1879 2 6 SER HA 2 6 SER HB2 1.934 . 2.402 2.592 2.399 3.017 0.615 21 5 "[ . * 1 *. *-2+ .]" 1
1880 2 6 SER HA 2 6 SER HB2 2.059 . 2.589 2.169 2.071 2.347 . 0 0 "[ . 1 . 2 .]" 1
1881 2 6 SER HA 2 7 ASP H 2.496 . 3.275 3.365 2.928 3.506 0.231 17 0 "[ . 1 . 2 .]" 1
1882 2 6 SER HB2 2 7 ASP H 2.901 . 3.953 2.687 1.718 3.387 0.131 3 0 "[ . 1 . 2 .]" 1
1883 2 6 SER HB3 2 8 SER H 2.490 . 3.265 2.571 2.177 2.803 . 0 0 "[ . 1 . 2 .]" 1
1884 2 6 SER HB3 2 9 GLU H 2.916 . 3.979 3.549 2.832 3.904 . 0 0 "[ . 1 . 2 .]" 1
1885 2 6 SER HB3 2 9 GLU QG 2.970 . 4.073 3.843 3.520 4.284 0.211 16 0 "[ . 1 . 2 .]" 1
1886 2 7 ASP H 2 7 ASP HA 2.938 . 4.017 2.858 2.715 2.899 . 0 0 "[ . 1 . 2 .]" 1
1887 2 7 ASP H 2 7 ASP HB2 2.869 . 3.898 3.298 2.536 3.654 . 0 0 "[ . 1 . 2 .]" 1
1888 2 7 ASP H 2 7 ASP HB3 2.693 . 3.600 3.067 2.661 3.662 0.062 18 0 "[ . 1 . 2 .]" 1
1889 2 7 ASP HA 2 8 SER H 2.620 . 3.478 3.497 3.449 3.529 0.051 14 0 "[ . 1 . 2 .]" 1
1890 2 7 ASP QB 2 10 LEU MD2 3.050 . 4.212 3.924 3.775 4.112 . 0 0 "[ . 1 . 2 .]" 1
1891 2 7 ASP HB2 2 10 LEU QB 3.239 . 4.550 4.725 4.178 5.464 0.914 20 8 "[ *.* *- * *. * + .]" 1
1892 2 7 ASP HB3 2 8 SER H 3.015 . 4.151 3.979 3.651 4.177 0.026 5 0 "[ . 1 . 2 .]" 1
1893 2 8 SER H 2 8 SER HA 2.716 . 3.638 2.800 2.756 2.846 . 0 0 "[ . 1 . 2 .]" 1
1894 2 8 SER H 2 9 GLU H 2.979 . 4.088 2.628 2.546 2.773 . 0 0 "[ . 1 . 2 .]" 1
1895 2 8 SER HA 2 8 SER QB 1.980 . 2.470 2.195 2.129 2.335 . 0 0 "[ . 1 . 2 .]" 1
1896 2 8 SER HA 2 9 GLU H 2.440 . 3.184 3.414 3.385 3.462 0.278 16 0 "[ . 1 . 2 .]" 1
1897 2 8 SER HA 2 10 LEU H 2.966 . 4.066 3.595 3.455 3.704 . 0 0 "[ . 1 . 2 .]" 1
1898 2 8 SER HA 2 11 GLU H 3.535 . 5.097 2.967 2.707 3.154 . 0 0 "[ . 1 . 2 .]" 1
1899 2 8 SER HA 2 11 GLU QB 2.537 . 3.341 2.420 1.833 2.717 . 0 0 "[ . 1 . 2 .]" 1
1900 2 8 SER HA 2 11 GLU QG 2.739 . 3.677 1.742 1.602 2.048 0.199 17 0 "[ . 1 . 2 .]" 1
1901 2 8 SER QB 2 9 GLU H 2.822 . 3.817 3.368 2.785 3.671 . 0 0 "[ . 1 . 2 .]" 1
1902 2 8 SER HB2 2 9 GLU QG 2.937 . 4.015 4.122 3.926 4.346 0.331 15 0 "[ . 1 . 2 .]" 1
1903 2 8 SER HB2 2 10 LEU H 3.340 . 4.735 4.600 4.493 4.713 . 0 0 "[ . 1 . 2 .]" 1
1904 2 8 SER HB2 2 10 LEU H 3.306 . 4.672 4.570 4.323 5.272 0.600 16 1 "[ . 1 .+ 2 .]" 1
1905 2 8 SER HB3 2 9 GLU H 2.921 . 3.988 4.140 2.884 4.416 0.428 6 0 "[ . 1 . 2 .]" 1
1906 2 8 SER HB3 2 10 LEU H 3.338 . 4.731 5.014 4.436 5.310 0.579 4 9 "[ *+* - 1* . * 2* **.]" 1
1907 2 9 GLU H 2 9 GLU HA 2.583 . 3.417 2.778 2.744 2.823 . 0 0 "[ . 1 . 2 .]" 1
1908 2 9 GLU H 2 9 GLU QB 2.467 . 3.228 2.257 2.162 2.755 . 0 0 "[ . 1 . 2 .]" 1
1909 2 9 GLU H 2 9 GLU HB3 2.775 . 3.737 2.706 2.517 3.650 . 0 0 "[ . 1 . 2 .]" 1
1910 2 9 GLU H 2 9 GLU QG 2.634 . 3.501 3.817 2.039 4.026 0.525 5 7 "[ *+ * 1 * . * * -.]" 1
1911 2 9 GLU H 2 10 LEU H 2.723 . 3.650 2.686 2.524 2.763 . 0 0 "[ . 1 . 2 .]" 1
1912 2 9 GLU H 2 10 LEU MD2 3.243 . 4.558 3.352 3.180 3.438 . 0 0 "[ . 1 . 2 .]" 1
1913 2 9 GLU HA 2 9 GLU HB2 2.360 . 3.056 2.538 2.456 2.991 . 0 0 "[ . 1 . 2 .]" 1
1914 2 9 GLU HA 2 9 GLU QB 2.074 . 2.612 2.372 2.280 2.409 . 0 0 "[ . 1 . 2 .]" 1
1915 2 9 GLU HA 2 9 GLU HB3 2.273 . 2.919 2.944 2.365 3.002 0.083 3 0 "[ . 1 . 2 .]" 1
1916 2 9 GLU HA 2 9 GLU QG 2.539 . 2.708 2.574 2.249 2.860 0.152 8 0 "[ . 1 . 2 .]" 1
1917 2 9 GLU HA 2 12 GLN HE21 3.450 . 4.938 3.897 3.375 4.393 . 0 0 "[ . 1 . 2 .]" 1
1918 2 9 GLU HB2 2 10 LEU H 2.670 . 3.561 3.535 2.514 3.710 0.149 16 0 "[ . 1 . 2 .]" 1
1919 2 9 GLU HB3 2 10 LEU H 2.755 . 3.704 2.707 2.481 3.787 0.083 22 0 "[ . 1 . 2 .]" 1
1920 2 9 GLU HB3 2 10 LEU QB 3.268 . 4.603 4.325 4.094 5.275 0.672 22 2 "[ . 1 . -2 + .]" 1
1921 2 9 GLU HB3 2 10 LEU MD2 2.801 . 3.782 2.317 1.966 3.457 . 0 0 "[ . 1 . 2 .]" 1
1922 2 9 GLU QG 2 10 LEU H 3.114 . 4.326 3.731 3.565 3.845 . 0 0 "[ . 1 . 2 .]" 1
1923 2 9 GLU QG 2 10 LEU QB 3.527 . 5.082 4.801 4.663 4.924 . 0 0 "[ . 1 . 2 .]" 1
1924 2 10 LEU H 2 10 LEU HA 2.404 . 3.126 2.831 2.814 2.855 . 0 0 "[ . 1 . 2 .]" 1
1925 2 10 LEU H 2 10 LEU QB 2.604 . 2.805 2.309 2.274 2.341 . 0 0 "[ . 1 . 2 .]" 1
1926 2 10 LEU H 2 10 LEU MD1 2.683 . 3.583 3.591 3.493 3.683 0.100 10 0 "[ . 1 . 2 .]" 1
1927 2 10 LEU H 2 10 LEU MD2 2.561 . 3.381 1.862 1.809 1.940 . 0 0 "[ . 1 . 2 .]" 1
1928 2 10 LEU H 2 10 LEU HG 2.601 . 3.447 3.712 3.659 3.755 0.308 7 0 "[ . 1 . 2 .]" 1
1929 2 10 LEU H 2 11 GLU H 2.452 . 3.203 2.412 2.277 2.488 . 0 0 "[ . 1 . 2 .]" 1
1930 2 10 LEU H 2 11 GLU QG 2.906 . 3.962 3.470 3.384 3.603 . 0 0 "[ . 1 . 2 .]" 1
1931 2 10 LEU H 2 13 TYR HE1 3.435 . 4.910 4.861 4.814 4.923 0.013 21 0 "[ . 1 . 2 .]" 1
1932 2 10 LEU HA 2 10 LEU QB 2.301 . 2.963 2.355 2.342 2.367 . 0 0 "[ . 1 . 2 .]" 1
1933 2 10 LEU HA 2 10 LEU MD1 2.367 . 3.068 2.108 2.045 2.180 . 0 0 "[ . 1 . 2 .]" 1
1934 2 10 LEU HA 2 10 LEU MD2 2.127 . 2.692 2.743 2.692 2.786 0.094 19 0 "[ . 1 . 2 .]" 1
1935 2 10 LEU HA 2 10 LEU HG 2.743 . 3.683 3.776 3.755 3.797 0.114 20 0 "[ . 1 . 2 .]" 1
1936 2 10 LEU HA 2 11 GLU H 2.547 . 3.358 3.454 3.445 3.465 0.107 3 0 "[ . 1 . 2 .]" 1
1937 2 10 LEU HA 2 13 TYR HD1 2.826 . 3.824 3.725 3.635 3.796 . 0 0 "[ . 1 . 2 .]" 1
1938 2 10 LEU HA 2 13 TYR HE1 3.036 . 4.188 2.095 2.046 2.153 . 0 0 "[ . 1 . 2 .]" 1
1939 2 10 LEU HA 2 14 PHE QD 3.256 . 4.581 3.251 3.163 3.320 . 0 0 "[ . 1 . 2 .]" 1
1940 2 10 LEU QB 2 10 LEU MD1 2.457 . 3.175 2.309 2.278 2.336 . 0 0 "[ . 1 . 2 .]" 1
1941 2 10 LEU QB 2 10 LEU MD2 2.377 . 3.083 2.325 2.282 2.356 . 0 0 "[ . 1 . 2 .]" 1
1942 2 10 LEU QB 2 11 GLU H 2.944 . 3.412 2.117 2.079 2.169 . 0 0 "[ . 1 . 2 .]" 1
1943 2 10 LEU QB 2 11 GLU QG 3.047 . 4.208 2.903 2.767 2.981 . 0 0 "[ . 1 . 2 .]" 1
1944 2 10 LEU QB 2 12 GLN H 3.450 . 4.938 4.196 4.170 4.226 . 0 0 "[ . 1 . 2 .]" 1
1945 2 10 LEU QB 2 12 GLN HG2 3.548 . 5.121 5.217 5.183 5.281 0.160 12 0 "[ . 1 . 2 .]" 1
1946 2 10 LEU QB 2 13 TYR HD1 3.648 . 5.311 4.513 4.411 4.636 . 0 0 "[ . 1 . 2 .]" 1
1947 2 10 LEU QB 2 14 PHE HD1 3.495 . 5.022 2.829 2.736 2.941 . 0 0 "[ . 1 . 2 .]" 1
1948 2 10 LEU QB 2 14 PHE QE 3.360 . 4.772 2.003 1.918 2.113 0.030 10 0 "[ . 1 . 2 .]" 1
1949 2 10 LEU QB 2 15 THR MG 3.510 . 5.050 3.041 2.852 3.261 . 0 0 "[ . 1 . 2 .]" 1
1950 2 10 LEU MD1 2 10 LEU HG 1.959 . 2.439 2.102 2.095 2.116 . 0 0 "[ . 1 . 2 .]" 1
1951 2 10 LEU MD1 2 13 TYR HE1 3.185 . 4.453 2.798 2.641 2.961 . 0 0 "[ . 1 . 2 .]" 1
1952 2 10 LEU MD1 2 13 TYR QE 3.293 . 4.649 2.793 2.637 2.955 . 0 0 "[ . 1 . 2 .]" 1
1953 2 10 LEU MD1 2 14 PHE HD1 3.211 . 4.500 3.690 3.599 3.782 . 0 0 "[ . 1 . 2 .]" 1
1954 2 10 LEU MD1 2 14 PHE HE1 3.251 . 4.572 1.504 1.382 1.627 0.548 2 2 "[ + . 1 . 2 -.]" 1
1955 2 10 LEU MD1 2 14 PHE HZ 2.599 . 3.443 2.165 2.051 2.247 . 0 0 "[ . 1 . 2 .]" 1
1956 2 10 LEU MD2 2 10 LEU HG 1.868 . 2.304 2.106 2.101 2.111 . 0 0 "[ . 1 . 2 .]" 1
1957 2 10 LEU MD2 2 11 GLU H 2.767 . 3.724 3.529 3.489 3.553 . 0 0 "[ . 1 . 2 .]" 1
1958 2 10 LEU MD2 2 12 GLN HG2 3.692 . 5.396 5.128 5.018 5.233 . 0 0 "[ . 1 . 2 .]" 1
1959 2 10 LEU MD2 2 13 TYR QE 3.082 . 4.269 4.251 4.189 4.321 0.052 19 0 "[ . 1 . 2 .]" 1
1960 2 10 LEU HG 2 11 GLU H 3.205 . 4.489 4.499 4.465 4.537 0.048 8 0 "[ . 1 . 2 .]" 1
1961 2 10 LEU HG 2 11 GLU QG 3.484 . 5.001 4.870 4.716 4.966 . 0 0 "[ . 1 . 2 .]" 1
1962 2 11 GLU H 2 11 GLU HA 2.568 . 3.392 2.743 2.719 2.763 . 0 0 "[ . 1 . 2 .]" 1
1963 2 11 GLU H 2 11 GLU HB2 2.245 . 2.875 2.800 2.665 2.877 0.002 18 0 "[ . 1 . 2 .]" 1
1964 2 11 GLU H 2 11 GLU QG 2.496 . 3.275 1.891 1.766 1.945 . 0 0 "[ . 1 . 2 .]" 1
1965 2 11 GLU H 2 14 PHE QD 3.712 . 5.434 5.102 5.041 5.157 . 0 0 "[ . 1 . 2 .]" 1
1966 2 11 GLU H 2 14 PHE HE1 3.560 . 5.144 5.126 5.074 5.160 0.016 6 0 "[ . 1 . 2 .]" 1
1967 2 11 GLU HA 2 11 GLU HB2 2.201 . 2.807 2.989 2.976 3.003 0.196 19 0 "[ . 1 . 2 .]" 1
1968 2 11 GLU HA 2 11 GLU QG 2.375 . 3.080 2.596 2.521 2.687 . 0 0 "[ . 1 . 2 .]" 1
1969 2 11 GLU HA 2 12 GLN H 2.494 . 3.271 3.392 3.362 3.412 0.141 2 0 "[ . 1 . 2 .]" 1
1970 2 11 GLU HA 2 13 TYR H 3.258 . 4.585 3.874 3.676 4.061 . 0 0 "[ . 1 . 2 .]" 1
1971 2 11 GLU QB 2 15 THR MG 3.113 . 4.324 2.714 2.544 2.975 . 0 0 "[ . 1 . 2 .]" 1
1972 2 11 GLU HB2 2 12 GLN H 2.489 . 3.263 3.015 2.882 3.154 . 0 0 "[ . 1 . 2 .]" 1
1973 2 11 GLU QG 2 15 THR MG 2.987 . 4.102 1.935 1.820 2.198 0.118 20 0 "[ . 1 . 2 .]" 1
1974 2 11 GLU QG 2 18 TRP HZ2 3.076 . 4.259 4.138 3.867 4.332 0.073 19 0 "[ . 1 . 2 .]" 1
1975 2 12 GLN H 2 12 GLN HA 2.540 . 3.347 2.756 2.734 2.780 . 0 0 "[ . 1 . 2 .]" 1
1976 2 12 GLN H 2 12 GLN HB2 2.331 . 3.010 2.618 2.586 2.650 . 0 0 "[ . 1 . 2 .]" 1
1977 2 12 GLN H 2 12 GLN HG2 2.519 . 3.312 1.922 1.857 1.993 . 0 0 "[ . 1 . 2 .]" 1
1978 2 12 GLN H 2 13 TYR H 2.836 . 3.841 2.811 2.727 2.905 . 0 0 "[ . 1 . 2 .]" 1
1979 2 12 GLN HA 2 12 GLN HB2 2.253 . 2.888 2.995 2.991 2.998 0.110 1 0 "[ . 1 . 2 .]" 1
1980 2 12 GLN HA 2 12 GLN HE21 3.206 . 4.491 2.665 2.545 2.796 . 0 0 "[ . 1 . 2 .]" 1
1981 2 12 GLN HA 2 12 GLN HE22 3.432 . 4.904 3.320 3.225 3.433 . 0 0 "[ . 1 . 2 .]" 1
1982 2 12 GLN HA 2 12 GLN HG2 2.398 . 3.117 3.095 3.024 3.129 0.012 5 0 "[ . 1 . 2 .]" 1
1983 2 12 GLN HA 2 12 GLN QG 2.449 . 3.199 2.962 2.912 2.987 . 0 0 "[ . 1 . 2 .]" 1
1984 2 12 GLN HA 2 13 TYR H 2.547 . 3.358 3.521 3.497 3.540 0.182 12 0 "[ . 1 . 2 .]" 1
1985 2 12 GLN HA 2 14 PHE H 3.187 . 4.457 4.509 4.398 4.552 0.095 12 0 "[ . 1 . 2 .]" 1
1986 2 12 GLN HA 2 18 TRP HZ3 3.701 . 5.413 5.843 5.645 5.959 0.546 9 2 "[ . +- . 2 .]" 1
1987 2 12 GLN QB 2 12 GLN HE22 3.007 . 4.137 4.135 4.088 4.157 0.020 5 0 "[ . 1 . 2 .]" 1
1988 2 12 GLN HB2 2 12 GLN HE21 3.006 . 4.135 4.030 3.998 4.079 . 0 0 "[ . 1 . 2 .]" 1
1989 2 12 GLN HB2 2 12 GLN HG2 1.868 . 2.304 2.410 2.398 2.442 0.138 10 0 "[ . 1 . 2 .]" 1
1990 2 12 GLN HB2 2 13 TYR H 2.755 . 3.704 2.460 2.298 2.642 . 0 0 "[ . 1 . 2 .]" 1
1991 2 12 GLN HB2 2 13 TYR HD1 3.598 . 5.216 4.200 3.611 4.435 . 0 0 "[ . 1 . 2 .]" 1
1992 2 12 GLN HB2 2 13 TYR QD 3.261 . 4.590 3.399 3.186 3.579 . 0 0 "[ . 1 . 2 .]" 1
1993 2 12 GLN HE21 2 12 GLN HG2 2.326 . 3.002 2.196 2.168 2.218 . 0 0 "[ . 1 . 2 .]" 1
1994 2 12 GLN QG 2 13 TYR QE 3.429 . 4.898 4.222 3.850 4.493 . 0 0 "[ . 1 . 2 .]" 1
1995 2 12 GLN HG2 2 13 TYR H 2.929 . 4.001 4.031 3.999 4.097 0.096 21 0 "[ . 1 . 2 .]" 1
1996 2 13 TYR H 2 13 TYR HA 2.516 . 3.307 2.938 2.931 2.943 . 0 0 "[ . 1 . 2 .]" 1
1997 2 13 TYR H 2 13 TYR HB2 3.003 . 4.131 3.557 3.507 3.615 . 0 0 "[ . 1 . 2 .]" 1
1998 2 13 TYR H 2 13 TYR HB3 2.617 . 3.473 3.473 3.398 3.545 0.072 6 0 "[ . 1 . 2 .]" 1
1999 2 13 TYR H 2 13 TYR HD1 2.710 . 3.628 2.414 2.012 2.626 . 0 0 "[ . 1 . 2 .]" 1
2000 2 13 TYR H 2 13 TYR HE1 3.183 . 4.450 3.814 3.649 3.941 . 0 0 "[ . 1 . 2 .]" 1
2001 2 13 TYR H 2 14 PHE HA 3.183 . 4.449 4.304 4.211 4.392 . 0 0 "[ . 1 . 2 .]" 1
2002 2 13 TYR HA 2 13 TYR HB2 2.525 . 3.322 2.683 2.636 2.718 . 0 0 "[ . 1 . 2 .]" 1
2003 2 13 TYR HA 2 13 TYR HB3 2.492 . 3.268 2.257 2.249 2.273 . 0 0 "[ . 1 . 2 .]" 1
2004 2 13 TYR HA 2 14 PHE H 2.785 . 3.755 3.485 3.387 3.511 . 0 0 "[ . 1 . 2 .]" 1
2005 2 13 TYR HB2 2 13 TYR HD1 2.852 . 3.869 2.812 2.682 2.973 . 0 0 "[ . 1 . 2 .]" 1
2006 2 13 TYR HB3 2 13 TYR HD1 2.856 . 3.876 3.755 3.740 3.768 . 0 0 "[ . 1 . 2 .]" 1
2007 2 13 TYR HB3 2 14 PHE H 3.027 . 4.173 4.426 4.364 4.541 0.368 24 0 "[ . 1 . 2 .]" 1
2008 2 13 TYR QD 2 14 PHE QB 2.863 . 3.887 3.253 3.163 3.392 . 0 0 "[ . 1 . 2 .]" 1
2009 2 13 TYR QD 2 14 PHE QE 3.250 . 4.570 3.420 3.281 3.578 . 0 0 "[ . 1 . 2 .]" 1
2010 2 13 TYR HD1 2 14 PHE H 3.196 . 4.473 2.100 1.917 2.416 0.002 19 0 "[ . 1 . 2 .]" 1
2011 2 13 TYR HD1 2 14 PHE HA 3.329 . 4.714 4.174 4.103 4.277 . 0 0 "[ . 1 . 2 .]" 1
2012 2 13 TYR HD1 2 14 PHE QR 2.934 . 4.010 2.675 2.544 2.847 . 0 0 "[ . 1 . 2 .]" 1
2013 2 13 TYR QE 2 14 PHE QB 3.512 . 5.054 4.822 4.775 4.895 . 0 0 "[ . 1 . 2 .]" 1
2014 2 13 TYR HE1 2 14 PHE HZ 2.861 . 3.884 2.698 2.588 2.816 . 0 0 "[ . 1 . 2 .]" 1
2015 2 14 PHE H 2 14 PHE HA 2.952 . 4.041 2.890 2.839 2.904 . 0 0 "[ . 1 . 2 .]" 1
2016 2 14 PHE H 2 14 PHE QB 2.942 . 3.650 3.249 3.210 3.340 . 0 0 "[ . 1 . 2 .]" 1
2017 2 14 PHE H 2 14 PHE HD1 2.999 . 4.124 3.479 3.402 3.547 . 0 0 "[ . 1 . 2 .]" 1
2018 2 14 PHE H 2 14 PHE QD 2.979 . 4.088 3.320 3.265 3.401 . 0 0 "[ . 1 . 2 .]" 1
2019 2 14 PHE H 2 15 THR H 2.786 . 3.756 3.837 3.804 3.866 0.110 18 0 "[ . 1 . 2 .]" 1
2020 2 14 PHE HA 2 14 PHE QB 2.521 . 3.316 2.166 2.160 2.170 . 0 0 "[ . 1 . 2 .]" 1
2021 2 14 PHE HA 2 14 PHE QD 2.281 . 2.931 2.774 2.623 2.887 . 0 0 "[ . 1 . 2 .]" 1
2022 2 14 PHE HA 2 15 THR H 2.774 . 3.736 2.185 2.118 2.253 . 0 0 "[ . 1 . 2 .]" 1
2023 2 14 PHE QB 2 14 PHE HD1 2.732 . 3.665 2.703 2.661 2.737 . 0 0 "[ . 1 . 2 .]" 1
2024 2 14 PHE QB 2 15 THR H 3.214 . 4.505 2.768 2.547 2.973 . 0 0 "[ . 1 . 2 .]" 1
2025 2 14 PHE QB 2 15 THR HA 3.554 . 5.133 3.931 3.821 4.011 . 0 0 "[ . 1 . 2 .]" 1
2026 2 14 PHE QB 2 15 THR MG 3.135 . 4.363 4.189 4.039 4.276 . 0 0 "[ . 1 . 2 .]" 1
2027 2 14 PHE HD1 2 15 THR H 3.349 . 4.751 3.892 3.640 4.134 . 0 0 "[ . 1 . 2 .]" 1
2028 2 14 PHE HD1 2 15 THR HA 3.110 . 4.319 3.142 2.897 3.371 . 0 0 "[ . 1 . 2 .]" 1
2029 2 15 THR H 2 15 THR HA 2.628 . 3.492 2.823 2.776 2.856 . 0 0 "[ . 1 . 2 .]" 1
2030 2 15 THR H 2 15 THR HB 2.719 . 3.643 3.883 3.798 3.959 0.316 3 0 "[ . 1 . 2 .]" 1
2031 2 15 THR H 2 15 THR MG 2.791 . 3.764 3.705 3.592 3.779 0.015 12 0 "[ . 1 . 2 .]" 1
2032 2 15 THR HA 2 18 TRP HH2 3.429 . 4.898 5.029 4.827 5.169 0.271 1 0 "[ . 1 . 2 .]" 1
2033 2 15 THR HA 2 15 THR MG 2.277 . 2.925 2.168 2.089 2.213 . 0 0 "[ . 1 . 2 .]" 1
2034 2 15 THR HA 2 16 ALA H 2.324 . 2.999 2.720 2.307 2.840 . 0 0 "[ . 1 . 2 .]" 1
2035 2 15 THR HA 2 16 ALA MB 2.982 . 4.094 3.962 3.891 4.069 . 0 0 "[ . 1 . 2 .]" 1
2036 2 15 THR HA 2 18 TRP HZ2 3.668 . 5.350 4.043 3.662 4.413 . 0 0 "[ . 1 . 2 .]" 1
2037 2 15 THR HB 2 15 THR MG 1.763 . 2.151 2.122 2.116 2.128 . 0 0 "[ . 1 . 2 .]" 1
2038 2 15 THR HB 2 16 ALA H 2.333 . 3.013 1.836 1.631 2.782 0.022 21 0 "[ . 1 . 2 .]" 1
2039 2 15 THR HB 2 18 TRP HD1 3.063 . 4.236 3.399 3.192 3.610 . 0 0 "[ . 1 . 2 .]" 1
2040 2 15 THR HB 2 18 TRP HE1 3.250 . 4.570 3.435 3.132 3.897 . 0 0 "[ . 1 . 2 .]" 1
2041 2 15 THR MG 2 16 ALA H 2.946 . 4.031 2.949 2.811 3.100 . 0 0 "[ . 1 . 2 .]" 1
2042 2 15 THR MG 2 18 TRP HE1 3.407 . 4.858 3.300 3.117 3.806 . 0 0 "[ . 1 . 2 .]" 1
2043 2 15 THR MG 2 18 TRP HE3 3.434 . 4.908 4.335 3.850 4.601 . 0 0 "[ . 1 . 2 .]" 1
2044 2 15 THR MG 2 18 TRP HH2 3.274 . 4.614 3.295 3.012 3.492 . 0 0 "[ . 1 . 2 .]" 1
2045 2 15 THR MG 2 18 TRP HZ2 2.856 . 3.876 2.466 2.023 3.060 . 0 0 "[ . 1 . 2 .]" 1
2046 2 16 ALA H 2 16 ALA HA 2.475 . 3.241 2.944 2.891 2.952 . 0 0 "[ . 1 . 2 .]" 1
2047 2 16 ALA H 2 16 ALA MB 2.373 . 3.077 2.449 2.209 2.567 . 0 0 "[ . 1 . 2 .]" 1
2048 2 16 ALA H 2 16 ALA MB 2.126 . 2.691 1.729 1.621 1.860 . 0 0 "[ . 1 . 2 .]" 1
2049 2 16 ALA HA 2 16 ALA MB 1.873 . 2.312 2.129 2.101 2.137 . 0 0 "[ . 1 . 2 .]" 1
2050 2 16 ALA HA 2 17 ARG H 2.430 . 3.168 2.780 2.640 2.907 . 0 0 "[ . 1 . 2 .]" 1
2051 2 16 ALA MB 2 17 ARG H 2.594 . 3.435 1.769 1.668 1.909 0.085 12 0 "[ . 1 . 2 .]" 1
2052 2 16 ALA MB 2 17 ARG HA 3.075 . 4.257 4.057 3.953 4.142 . 0 0 "[ . 1 . 2 .]" 1
2053 2 16 ALA MB 2 17 ARG QB 3.087 . 4.278 3.614 3.319 3.736 . 0 0 "[ . 1 . 2 .]" 1
2054 2 16 ALA MB 2 17 ARG QD 3.085 . 3.846 2.706 1.872 3.802 0.024 8 0 "[ . 1 . 2 .]" 1
2055 2 16 ALA MB 2 17 ARG QG 2.401 . 3.121 3.368 2.233 3.755 0.634 21 8 "[ . * 1* * ** 2+ -*.]" 1
2056 2 16 ALA MB 2 18 TRP H 2.980 . 4.090 2.796 2.572 3.018 . 0 0 "[ . 1 . 2 .]" 1
2057 2 16 ALA MB 2 18 TRP HD1 2.689 . 3.593 1.886 1.826 2.049 . 0 0 "[ . 1 . 2 .]" 1
2058 2 16 ALA MB 2 18 TRP HE1 3.186 . 4.455 2.197 1.906 2.394 0.011 21 0 "[ . 1 . 2 .]" 1
2059 2 16 ALA MB 2 18 TRP HZ2 2.875 . 3.908 4.655 4.431 4.806 0.898 24 25 [******************-****+*] 1
2060 2 17 ARG H 2 17 ARG HA 2.646 . 3.521 2.758 2.704 2.820 . 0 0 "[ . 1 . 2 .]" 1
2061 2 17 ARG H 2 17 ARG QB 2.918 . 3.755 2.340 2.070 2.557 . 0 0 "[ . 1 . 2 .]" 1
2062 2 17 ARG H 2 17 ARG QD 3.236 . 4.545 2.439 1.775 3.876 0.152 4 0 "[ . 1 . 2 .]" 1
2063 2 17 ARG H 2 17 ARG QG 2.502 . 3.284 2.880 1.978 3.193 . 0 0 "[ . 1 . 2 .]" 1
2064 2 17 ARG H 2 18 TRP H 2.645 . 3.519 2.821 2.613 3.005 . 0 0 "[ . 1 . 2 .]" 1
2065 2 17 ARG H 2 18 TRP HD1 3.284 . 4.632 3.194 3.036 3.387 . 0 0 "[ . 1 . 2 .]" 1
2066 2 17 ARG HA 2 17 ARG QB 2.333 . 2.968 2.176 2.164 2.202 . 0 0 "[ . 1 . 2 .]" 1
2067 2 17 ARG HA 2 17 ARG QG 2.340 . 3.025 3.364 3.214 3.441 0.416 9 0 "[ . 1 . 2 .]" 1
2068 2 17 ARG HA 2 18 TRP HD1 3.072 . 4.252 4.326 4.259 4.416 0.164 5 0 "[ . 1 . 2 .]" 1
2069 2 17 ARG QB 2 17 ARG QD 2.402 . 3.123 2.345 2.057 2.700 . 0 0 "[ . 1 . 2 .]" 1
2070 2 17 ARG QB 2 18 TRP H 3.030 . 3.714 3.278 2.983 3.390 . 0 0 "[ . 1 . 2 .]" 1
2071 2 17 ARG QB 2 18 TRP HD1 3.502 . 5.035 4.526 4.233 4.639 . 0 0 "[ . 1 . 2 .]" 1
2072 2 17 ARG QD 2 17 ARG QG 2.100 . 2.468 2.002 1.956 2.076 . 0 0 "[ . 1 . 2 .]" 1
2073 2 17 ARG QD 2 18 TRP H 3.227 . 4.529 2.698 2.001 3.542 . 0 0 "[ . 1 . 2 .]" 1
2074 2 17 ARG QD 2 18 TRP HA 3.330 . 4.716 4.063 2.724 4.856 0.140 14 0 "[ . 1 . 2 .]" 1
2075 2 17 ARG QD 2 18 TRP HD1 3.237 . 4.546 3.785 2.902 4.504 . 0 0 "[ . 1 . 2 .]" 1
2076 2 17 ARG QD 2 18 TRP HE1 3.266 . 4.599 5.436 4.693 6.082 1.483 15 17 "[** *-* *****+* *** **]" 1
2077 2 17 ARG QG 2 18 TRP H 2.801 . 3.519 1.760 1.615 2.021 0.205 14 0 "[ . 1 . 2 .]" 1
2078 2 17 ARG QG 2 18 TRP HD1 3.142 . 4.376 3.419 2.580 3.927 . 0 0 "[ . 1 . 2 .]" 1
2079 2 18 TRP H 2 18 TRP HA 2.169 . 2.757 2.246 2.214 2.262 . 0 0 "[ . 1 . 2 .]" 1
2080 2 18 TRP H 2 18 TRP HB2 2.427 . 3.163 3.052 3.019 3.102 . 0 0 "[ . 1 . 2 .]" 1
2081 2 18 TRP H 2 18 TRP HD1 2.671 . 3.563 1.867 1.742 2.055 0.037 14 0 "[ . 1 . 2 .]" 1
2082 2 18 TRP HA 2 18 TRP HB2 2.421 . 3.154 3.008 3.001 3.015 . 0 0 "[ . 1 . 2 .]" 1
2083 2 18 TRP HA 2 18 TRP HB3 2.156 . 2.737 2.535 2.501 2.561 . 0 0 "[ . 1 . 2 .]" 1
2084 2 18 TRP HA 2 18 TRP HD1 2.499 . 3.280 2.868 2.681 3.014 . 0 0 "[ . 1 . 2 .]" 1
2085 2 18 TRP HB2 2 18 TRP HD1 2.618 . 3.475 3.167 3.075 3.249 . 0 0 "[ . 1 . 2 .]" 1
2086 2 18 TRP HB2 2 18 TRP HE3 2.809 . 3.796 3.516 3.388 3.641 . 0 0 "[ . 1 . 2 .]" 1
2087 2 18 TRP HB3 2 18 TRP HD1 2.884 . 3.924 3.823 3.798 3.849 . 0 0 "[ . 1 . 2 .]" 1
2088 2 18 TRP HB3 2 18 TRP HE3 2.454 . 3.207 2.442 2.397 2.494 . 0 0 "[ . 1 . 2 .]" 1
2089 2 18 TRP HB3 2 18 TRP HZ3 3.437 . 4.914 4.821 4.790 4.856 . 0 0 "[ . 1 . 2 .]" 1
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