NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
418081 |
2dvh   |
4208 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dvh
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 685
_Distance_constraint_stats_list.Viol_count 2379
_Distance_constraint_stats_list.Viol_total 11685.714
_Distance_constraint_stats_list.Viol_max 0.997
_Distance_constraint_stats_list.Viol_rms 0.0588
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.1259
_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 2 ASP 1.029 0.390 27 0 "[ . 1 . 2 . 3 . ]"
1 3 GLY 5.361 0.390 27 0 "[ . 1 . 2 . 3 . ]"
1 4 ALA 3.781 0.206 35 0 "[ . 1 . 2 . 3 . ]"
1 5 ALA 2.352 0.886 27 3 "[ . 1 . 2 . +* 3 - ]"
1 6 LEU 13.748 0.854 22 8 "[ . * 1 . * 2 +**. - 3 *. *]"
1 7 TYR 1.200 0.553 38 1 "[ . 1 . 2 . 3 . + ]"
1 8 LYS 13.444 0.886 27 12 "[ * . ** * . - 2* *. +**3 * * ]"
1 9 SER 0.162 0.070 32 0 "[ . 1 . 2 . 3 . ]"
1 10 CYS 2.263 0.171 36 0 "[ . 1 . 2 . 3 . ]"
1 11 ILE 5.576 0.553 38 1 "[ . 1 . 2 . 3 . + ]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 13 CYS 14.919 0.741 11 3 "[ . 1+ . 2 . - 3 . * ]"
1 14 HIS 12.615 0.741 11 3 "[ . 1+ . 2 . - 3 . * ]"
1 15 GLY 1.014 0.153 22 0 "[ . 1 . 2 . 3 . ]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 17 ASP 5.814 0.375 14 0 "[ . 1 . 2 . 3 . ]"
1 18 GLY 8.428 0.375 14 0 "[ . 1 . 2 . 3 . ]"
1 19 SER 4.299 0.469 9 0 "[ . 1 . 2 . 3 . ]"
1 20 LYS 4.215 0.480 2 0 "[ . 1 . 2 . 3 . ]"
1 21 ALA 1.218 0.219 23 0 "[ . 1 . 2 . 3 . ]"
1 22 ALA 3.324 0.480 2 0 "[ . 1 . 2 . 3 . ]"
1 23 MET 1.475 0.223 9 0 "[ . 1 . 2 . 3 . ]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 25 SER 2.546 0.316 27 0 "[ . 1 . 2 . 3 . ]"
1 26 ALA 3.290 0.316 27 0 "[ . 1 . 2 . 3 . ]"
1 27 LYS 6.795 0.657 4 2 "[ +. 1 . - 2 . 3 . ]"
1 28 PRO 3.570 0.517 18 1 "[ . 1 . + 2 . 3 . ]"
1 29 VAL 11.364 0.428 33 0 "[ . 1 . 2 . 3 . ]"
1 30 LYS 6.028 0.517 18 1 "[ . 1 . + 2 . 3 . ]"
1 31 GLY 7.608 0.953 36 7 "[ . ** 1 . 2 * * *3- .+ ]"
1 32 GLN 21.937 0.528 18 1 "[ . 1 . + 2 . 3 . ]"
1 33 GLY 8.624 0.209 5 0 "[ . 1 . 2 . 3 . ]"
1 34 ALA 2.917 0.085 22 0 "[ . 1 . 2 . 3 . ]"
1 35 GLU 13.675 0.934 13 8 "[* *. ** 1 +*.* 2 . - 3 . ]"
1 36 GLU 13.894 0.934 13 8 "[* *. ** 1 +*.* 2 . - 3 . ]"
1 37 LEU 12.186 0.788 31 7 "[ ** 1 -.* 2 * . 3+ *. ]"
1 38 TYR 2.194 0.097 21 0 "[ . 1 . 2 . 3 . ]"
1 39 LYS 3.942 0.121 5 0 "[ . 1 . 2 . 3 . ]"
1 40 LYS 22.512 0.788 31 14 "[ ***-* * **.* * * * . 3+ *. ]"
1 41 MET 7.556 0.318 9 0 "[ . 1 . 2 . 3 . ]"
1 42 LYS 3.055 0.121 5 0 "[ . 1 . 2 . 3 . ]"
1 43 GLY 5.022 0.337 38 0 "[ . 1 . 2 . 3 . ]"
1 44 TYR 24.208 0.676 7 9 "[ - * + 1 ** . 2 . * * . * *]"
1 45 ALA 8.066 0.592 30 2 "[ . 1 . 2 . + . - ]"
1 46 ASP 1.388 0.276 35 0 "[ . 1 . 2 . 3 . ]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 48 SER 7.952 0.578 36 2 "[ . 1 . 2 - 3 .+ ]"
1 49 TYR 22.647 0.770 5 11 "[ * +-* * ** . * * . 3 * . *]"
1 50 GLY 1.168 0.283 32 0 "[ . 1 . 2 . 3 . ]"
1 51 GLY 0.889 0.283 32 0 "[ . 1 . 2 . 3 . ]"
1 52 GLU 0.964 0.184 26 0 "[ . 1 . 2 . 3 . ]"
1 53 ARG 2.598 0.528 30 1 "[ . 1 . 2 . + . ]"
1 54 LYS 16.183 0.806 32 14 "[*** . *1 . * *2* - . * * + . ***]"
1 55 ALA 10.691 0.638 28 12 "[*** . *1 . * *2 - . + * . ***]"
1 56 MET 1.762 0.113 32 0 "[ . 1 . 2 . 3 . ]"
1 57 MET 4.992 0.806 32 2 "[ . 1 . 2- . 3 + . ]"
1 58 THR 1.329 0.102 32 0 "[ . 1 . 2 . 3 . ]"
1 59 ASN 4.534 0.221 35 0 "[ . 1 . 2 . 3 . ]"
1 60 ALA 2.444 0.886 12 1 "[ . 1 + . 2 . 3 . ]"
1 61 VAL 3.330 0.886 12 1 "[ . 1 + . 2 . 3 . ]"
1 62 LYS 1.328 0.215 36 0 "[ . 1 . 2 . 3 . ]"
1 63 LYS 6.245 0.824 35 1 "[ . 1 . 2 . 3 + ]"
1 64 ALA 2.746 0.185 36 0 "[ . 1 . 2 . 3 . ]"
1 65 SER 5.536 0.596 23 1 "[ . 1 . 2 + . 3 . ]"
1 66 ASP 1.559 0.117 23 0 "[ . 1 . 2 . 3 . ]"
1 67 GLU 3.030 0.118 20 0 "[ . 1 . 2 . 3 . ]"
1 68 GLU 30.841 0.652 25 3 "[ . -1 * . 2 + 3 . ]"
1 69 LEU 10.217 0.652 25 3 "[ . -1 * . 2 + 3 . ]"
1 70 LYS 1.715 0.120 28 0 "[ . 1 . 2 . 3 . ]"
1 71 ALA 3.666 0.111 12 0 "[ . 1 . 2 . 3 . ]"
1 72 LEU 11.282 0.854 22 8 "[ . * 1 . * 2 +**. - 3 *. *]"
1 73 ALA 0.093 0.032 14 0 "[ . 1 . 2 . 3 . ]"
1 74 ASP 3.069 0.111 12 0 "[ . 1 . 2 . 3 . ]"
1 75 TYR 0.282 0.098 25 0 "[ . 1 . 2 . 3 . ]"
1 76 MET 11.031 0.997 36 5 "[ * . 1 - . 2 * . 3 .+ * ]"
1 77 SER 3.078 0.385 4 0 "[ . 1 . 2 . 3 . ]"
1 78 LYS 3.904 0.396 2 0 "[ . 1 . 2 . 3 . ]"
1 79 LEU 27.894 0.953 36 12 "[ * . ** * - . * 2 * * *3* .+ * ]"
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 2 ASP HA 1 3 GLY H 2.909 . 2.909 2.458 2.100 3.299 0.390 27 0 "[ . 1 . 2 . 3 . ]" 1
2 1 2 ASP HA 1 4 ALA H 4.720 . 4.720 4.349 3.721 4.754 0.034 13 0 "[ . 1 . 2 . 3 . ]" 1
3 1 3 GLY H 1 4 ALA H 3.478 . 3.500 3.523 3.102 3.706 0.206 35 0 "[ . 1 . 2 . 3 . ]" 1
4 1 3 GLY H 1 4 ALA MB 6.138 . 7.138 4.980 4.731 5.251 . 0 0 "[ . 1 . 2 . 3 . ]" 1
5 1 3 GLY H 1 6 LEU MD1 5.290 . 6.290 2.753 1.884 4.047 . 0 0 "[ . 1 . 2 . 3 . ]" 1
6 1 3 GLY H 1 68 GLU HB3 5.083 . 5.083 4.442 3.443 5.226 0.143 3 0 "[ . 1 . 2 . 3 . ]" 1
7 1 3 GLY H 1 71 ALA MB 4.115 . 5.115 2.472 1.738 3.393 . 0 0 "[ . 1 . 2 . 3 . ]" 1
8 1 3 GLY HA2 1 4 ALA H 4.036 . 4.036 3.554 3.473 3.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
9 1 3 GLY HA2 1 6 LEU H 3.908 . 6.000 3.885 3.134 5.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1
10 1 3 GLY HA2 1 6 LEU MD1 6.546 . 7.546 2.873 2.028 3.839 . 0 0 "[ . 1 . 2 . 3 . ]" 1
11 1 3 GLY HA2 1 71 ALA MB 6.373 . 7.373 3.220 2.619 3.905 . 0 0 "[ . 1 . 2 . 3 . ]" 1
12 1 3 GLY HA2 1 72 LEU HA 4.512 . 4.512 2.691 2.209 3.795 . 0 0 "[ . 1 . 2 . 3 . ]" 1
13 1 3 GLY HA2 1 72 LEU QD 5.932 . 6.932 2.600 2.038 3.439 . 0 0 "[ . 1 . 2 . 3 . ]" 1
14 1 3 GLY HA3 1 4 ALA H 3.666 . 3.666 2.585 2.371 2.985 . 0 0 "[ . 1 . 2 . 3 . ]" 1
15 1 3 GLY HA3 1 75 TYR H 4.640 . 4.640 4.217 3.387 4.738 0.098 25 0 "[ . 1 . 2 . 3 . ]" 1
16 1 4 ALA H 1 5 ALA H 3.102 . 3.102 2.910 2.707 3.130 0.028 3 0 "[ . 1 . 2 . 3 . ]" 1
17 1 4 ALA H 1 6 LEU H 4.666 . 4.666 4.349 3.992 4.626 . 0 0 "[ . 1 . 2 . 3 . ]" 1
18 1 4 ALA H 1 71 ALA MB 5.928 . 6.928 4.119 3.415 5.625 . 0 0 "[ . 1 . 2 . 3 . ]" 1
19 1 4 ALA H 1 75 TYR QD 4.631 . 6.631 3.833 3.049 5.242 . 0 0 "[ . 1 . 2 . 3 . ]" 1
20 1 4 ALA H 1 75 TYR QE 5.015 . 7.015 4.807 3.704 6.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1
21 1 4 ALA HA 1 5 ALA H 3.875 . 3.875 3.586 3.549 3.626 . 0 0 "[ . 1 . 2 . 3 . ]" 1
22 1 4 ALA HA 1 6 LEU H 4.571 . 4.571 4.425 3.781 4.658 0.087 7 0 "[ . 1 . 2 . 3 . ]" 1
23 1 4 ALA HA 1 7 TYR H 3.440 . 4.000 3.602 3.339 3.899 . 0 0 "[ . 1 . 2 . 3 . ]" 1
24 1 4 ALA HA 1 75 TYR QD 4.781 . 6.781 3.488 2.953 4.310 . 0 0 "[ . 1 . 2 . 3 . ]" 1
25 1 4 ALA HA 1 75 TYR QE 4.115 . 6.115 3.356 2.758 4.839 . 0 0 "[ . 1 . 2 . 3 . ]" 1
26 1 4 ALA MB 1 5 ALA H 3.739 . 4.739 2.443 2.227 2.832 . 0 0 "[ . 1 . 2 . 3 . ]" 1
27 1 4 ALA MB 1 75 TYR QD 4.979 . 7.979 3.048 2.332 4.282 . 0 0 "[ . 1 . 2 . 3 . ]" 1
28 1 4 ALA MB 1 75 TYR QE 4.273 . 7.273 2.845 2.386 4.384 . 0 0 "[ . 1 . 2 . 3 . ]" 1
29 1 5 ALA H 1 6 LEU H 3.130 . 3.130 2.818 2.478 3.212 0.082 35 0 "[ . 1 . 2 . 3 . ]" 1
30 1 5 ALA H 1 7 TYR H 4.954 . 4.954 4.284 4.004 4.649 . 0 0 "[ . 1 . 2 . 3 . ]" 1
31 1 5 ALA HA 1 6 LEU H 4.528 . 4.528 3.553 2.632 3.683 . 0 0 "[ . 1 . 2 . 3 . ]" 1
32 1 5 ALA HA 1 8 LYS H 5.201 . 5.201 3.999 3.631 4.343 . 0 0 "[ . 1 . 2 . 3 . ]" 1
33 1 5 ALA HA 1 8 LYS HG3 4.129 . 4.129 3.487 2.479 5.015 0.886 27 3 "[ . 1 . 2 . +* 3 - ]" 1
34 1 5 ALA MB 1 6 LEU H 3.916 . 4.916 2.666 2.353 3.708 . 0 0 "[ . 1 . 2 . 3 . ]" 1
35 1 6 LEU H 1 6 LEU HB2 3.056 . 3.056 2.327 1.969 2.835 . 0 0 "[ . 1 . 2 . 3 . ]" 1
36 1 6 LEU H 1 6 LEU HB3 3.461 . 3.750 3.489 3.256 3.829 0.079 35 0 "[ . 1 . 2 . 3 . ]" 1
37 1 6 LEU H 1 6 LEU MD1 3.989 . 4.989 2.205 1.928 4.120 . 0 0 "[ . 1 . 2 . 3 . ]" 1
38 1 6 LEU H 1 6 LEU HG 2.819 . 3.500 3.272 2.229 3.684 0.184 7 0 "[ . 1 . 2 . 3 . ]" 1
39 1 6 LEU H 1 7 TYR H 6.048 . 6.048 2.517 1.974 2.840 . 0 0 "[ . 1 . 2 . 3 . ]" 1
40 1 6 LEU HA 1 6 LEU MD1 3.342 . 4.342 3.172 2.568 3.805 . 0 0 "[ . 1 . 2 . 3 . ]" 1
41 1 6 LEU HA 1 6 LEU HG 2.995 . 2.995 2.459 2.290 3.007 0.012 35 0 "[ . 1 . 2 . 3 . ]" 1
42 1 6 LEU HA 1 7 TYR H 3.991 . 3.991 3.576 3.539 3.627 . 0 0 "[ . 1 . 2 . 3 . ]" 1
43 1 6 LEU HA 1 8 LYS H 4.588 . 4.588 4.314 3.852 4.611 0.023 24 0 "[ . 1 . 2 . 3 . ]" 1
44 1 6 LEU HB2 1 7 TYR H 3.265 . 3.265 2.420 2.092 2.667 . 0 0 "[ . 1 . 2 . 3 . ]" 1
45 1 6 LEU HB2 1 72 LEU QD 3.037 . 4.037 2.232 2.016 2.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1
46 1 6 LEU HB3 1 6 LEU MD1 3.240 . 4.240 3.131 2.345 3.313 . 0 0 "[ . 1 . 2 . 3 . ]" 1
47 1 6 LEU MD1 1 7 TYR H 4.806 . 5.806 3.836 3.329 4.309 . 0 0 "[ . 1 . 2 . 3 . ]" 1
48 1 6 LEU MD1 1 65 SER H 5.348 . 6.348 5.194 4.441 6.945 0.596 23 1 "[ . 1 . 2 + . 3 . ]" 1
49 1 6 LEU MD1 1 68 GLU H 4.788 . 5.788 5.208 4.257 6.078 0.290 23 0 "[ . 1 . 2 . 3 . ]" 1
50 1 6 LEU MD1 1 68 GLU HA 4.411 . 5.411 3.531 2.363 4.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1
51 1 6 LEU MD1 1 68 GLU QG 4.613 . 5.613 3.147 2.202 3.747 . 0 0 "[ . 1 . 2 . 3 . ]" 1
52 1 6 LEU MD1 1 71 ALA MB 11.849 . 13.849 4.129 3.424 4.931 . 0 0 "[ . 1 . 2 . 3 . ]" 1
53 1 6 LEU MD1 1 72 LEU H 4.298 . 5.298 5.052 3.873 6.152 0.854 22 8 "[ . * 1 . * 2 +**. - 3 *. *]" 1
54 1 6 LEU MD2 1 68 GLU HA 4.684 . 5.684 3.847 2.793 4.720 . 0 0 "[ . 1 . 2 . 3 . ]" 1
55 1 6 LEU MD2 1 68 GLU QG 4.637 . 5.637 2.942 2.478 3.398 . 0 0 "[ . 1 . 2 . 3 . ]" 1
56 1 6 LEU HG 1 7 TYR H 3.641 . 5.000 4.729 4.144 5.018 0.018 28 0 "[ . 1 . 2 . 3 . ]" 1
57 1 7 TYR H 1 7 TYR HB2 3.004 . 3.004 2.341 2.196 2.466 . 0 0 "[ . 1 . 2 . 3 . ]" 1
58 1 7 TYR H 1 7 TYR HB3 2.923 . 3.300 2.731 2.548 2.950 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 7 TYR H 1 7 TYR QD 4.463 . 6.463 4.091 3.931 4.196 . 0 0 "[ . 1 . 2 . 3 . ]" 1
60 1 7 TYR H 1 8 LYS H 3.282 . 3.282 3.012 2.849 3.173 . 0 0 "[ . 1 . 2 . 3 . ]" 1
61 1 7 TYR H 1 72 LEU QD 3.908 . 4.908 2.721 2.438 3.306 . 0 0 "[ . 1 . 2 . 3 . ]" 1
62 1 7 TYR HA 1 7 TYR QD 3.508 . 5.508 2.451 2.157 2.867 . 0 0 "[ . 1 . 2 . 3 . ]" 1
63 1 7 TYR HA 1 8 LYS H 3.986 . 3.986 3.554 3.468 3.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
64 1 7 TYR HA 1 10 CYS H 3.869 . 3.869 3.293 2.917 3.883 0.014 18 0 "[ . 1 . 2 . 3 . ]" 1
65 1 7 TYR HA 1 72 LEU QD 3.812 . 4.812 2.678 2.292 3.586 . 0 0 "[ . 1 . 2 . 3 . ]" 1
66 1 7 TYR HB2 1 8 LYS H 4.747 . 4.747 3.970 3.688 4.375 . 0 0 "[ . 1 . 2 . 3 . ]" 1
67 1 7 TYR HB2 1 72 LEU QD 3.872 . 4.872 2.493 2.113 3.644 . 0 0 "[ . 1 . 2 . 3 . ]" 1
68 1 7 TYR HB2 1 75 TYR QD 3.958 . 5.958 3.384 2.550 4.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1
69 1 7 TYR HB2 1 75 TYR QE 4.230 . 6.230 3.832 2.602 4.875 . 0 0 "[ . 1 . 2 . 3 . ]" 1
70 1 7 TYR HB3 1 8 LYS H 3.629 . 3.629 2.818 2.484 3.351 . 0 0 "[ . 1 . 2 . 3 . ]" 1
71 1 7 TYR HB3 1 75 TYR QE 4.699 . 6.699 3.539 2.522 4.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1
72 1 7 TYR QD 1 10 CYS H 5.189 . 7.189 4.628 4.274 5.026 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 7 TYR QD 1 10 CYS QB 3.898 . 5.898 3.013 2.378 3.777 . 0 0 "[ . 1 . 2 . 3 . ]" 1
74 1 7 TYR QD 1 11 ILE MD 4.856 . 7.856 3.104 2.409 4.845 . 0 0 "[ . 1 . 2 . 3 . ]" 1
75 1 7 TYR QD 1 11 ILE HG13 4.447 . 6.447 3.729 2.750 7.000 0.553 38 1 "[ . 1 . 2 . 3 . + ]" 1
76 1 7 TYR QD 1 11 ILE MG 6.116 . 9.116 4.794 2.403 5.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1
77 1 7 TYR QD 1 72 LEU QD 4.018 . 7.018 2.636 2.100 3.578 . 0 0 "[ . 1 . 2 . 3 . ]" 1
78 1 7 TYR QD 1 75 TYR QD 4.854 . 7.854 3.589 3.110 4.314 . 0 0 "[ . 1 . 2 . 3 . ]" 1
79 1 7 TYR QD 1 75 TYR QE 4.016 . 7.016 2.764 2.373 3.569 . 0 0 "[ . 1 . 2 . 3 . ]" 1
80 1 7 TYR QD 1 76 MET HG3 5.617 . 7.617 3.530 2.838 5.729 . 0 0 "[ . 1 . 2 . 3 . ]" 1
81 1 7 TYR QD 1 79 LEU MD2 6.299 . 9.299 4.459 3.191 6.883 . 0 0 "[ . 1 . 2 . 3 . ]" 1
82 1 7 TYR QE 1 10 CYS QB . . 3.937 3.038 2.588 3.767 . 0 0 "[ . 1 . 2 . 3 . ]" 1
83 1 7 TYR QE 1 11 ILE MD 5.596 . 8.596 3.340 2.461 4.981 . 0 0 "[ . 1 . 2 . 3 . ]" 1
84 1 7 TYR QE 1 11 ILE HG13 4.265 . 6.265 3.648 2.572 6.434 0.169 36 0 "[ . 1 . 2 . 3 . ]" 1
85 1 7 TYR QE 1 11 ILE MG 5.668 . 8.668 3.943 2.213 4.650 . 0 0 "[ . 1 . 2 . 3 . ]" 1
86 1 7 TYR QE 1 16 ALA HA 3.967 . 5.967 3.164 2.276 4.383 . 0 0 "[ . 1 . 2 . 3 . ]" 1
87 1 7 TYR QE 1 72 LEU QD 6.521 . 9.521 4.336 3.656 5.326 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 7 TYR QE 1 76 MET HG3 5.072 . 7.072 4.043 2.461 5.384 . 0 0 "[ . 1 . 2 . 3 . ]" 1
89 1 7 TYR QE 1 79 LEU MD2 5.752 . 8.752 3.652 2.556 6.209 . 0 0 "[ . 1 . 2 . 3 . ]" 1
90 1 8 LYS H 1 8 LYS HB2 3.060 . 3.060 2.821 2.174 3.613 0.553 28 10 "[ * . ** * . - 2* *. + 3 * * ]" 1
91 1 8 LYS H 1 8 LYS HB3 2.852 . 3.750 3.211 2.318 3.695 . 0 0 "[ . 1 . 2 . 3 . ]" 1
92 1 8 LYS H 1 8 LYS HG2 3.662 . 3.662 2.880 1.933 3.452 . 0 0 "[ . 1 . 2 . 3 . ]" 1
93 1 8 LYS H 1 8 LYS HG3 3.133 . 3.133 2.660 1.976 3.755 0.622 27 2 "[ . 1 . 2 . + -3 . ]" 1
94 1 8 LYS H 1 9 SER H 3.416 . 3.416 2.963 2.727 3.429 0.012 5 0 "[ . 1 . 2 . 3 . ]" 1
95 1 8 LYS HA 1 8 LYS QD 3.677 . 4.677 3.484 2.137 4.267 . 0 0 "[ . 1 . 2 . 3 . ]" 1
96 1 8 LYS HA 1 9 SER H 3.722 . 3.722 3.564 3.461 3.652 . 0 0 "[ . 1 . 2 . 3 . ]" 1
97 1 8 LYS HA 1 11 ILE H 3.930 . 3.930 3.704 3.328 3.975 0.045 36 0 "[ . 1 . 2 . 3 . ]" 1
98 1 8 LYS HA 1 11 ILE MD 3.868 . 4.868 2.287 2.144 2.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1
99 1 8 LYS HA 1 11 ILE MG 6.256 . 7.256 4.189 2.440 4.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1
100 1 8 LYS HB2 1 9 SER H 4.140 . 4.140 3.126 2.302 4.210 0.070 32 0 "[ . 1 . 2 . 3 . ]" 1
101 1 9 SER H 1 10 CYS H 3.254 . 3.254 2.552 2.235 2.997 . 0 0 "[ . 1 . 2 . 3 . ]" 1
102 1 9 SER HA 1 10 CYS H 4.207 . 4.207 3.450 2.893 3.560 . 0 0 "[ . 1 . 2 . 3 . ]" 1
103 1 9 SER QB 1 10 CYS H 4.492 . 5.492 2.985 2.471 3.846 . 0 0 "[ . 1 . 2 . 3 . ]" 1
104 1 10 CYS H 1 10 CYS QB . . 3.050 2.473 1.886 2.674 . 0 0 "[ . 1 . 2 . 3 . ]" 1
105 1 10 CYS H 1 11 ILE H 2.852 . 2.852 2.363 1.770 2.666 . 0 0 "[ . 1 . 2 . 3 . ]" 1
106 1 10 CYS H 1 11 ILE HA 4.616 . 5.000 4.976 4.464 5.171 0.171 36 0 "[ . 1 . 2 . 3 . ]" 1
107 1 10 CYS HA 1 11 ILE H 4.336 . 4.336 3.517 3.414 3.593 . 0 0 "[ . 1 . 2 . 3 . ]" 1
108 1 10 CYS HA 1 14 HIS HD2 3.937 . 3.937 3.491 3.213 3.943 0.006 13 0 "[ . 1 . 2 . 3 . ]" 1
109 1 10 CYS QB 1 11 ILE H 3.019 . 3.019 2.735 2.372 3.021 0.002 28 0 "[ . 1 . 2 . 3 . ]" 1
110 1 11 ILE H 1 11 ILE MD 5.099 . 6.099 3.621 3.336 3.781 . 0 0 "[ . 1 . 2 . 3 . ]" 1
111 1 11 ILE H 1 11 ILE HG12 3.612 . 3.612 3.183 2.058 3.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1
112 1 11 ILE H 1 11 ILE MG 3.908 . 4.908 3.514 2.065 3.825 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 11 ILE HA 1 13 CYS H 4.033 . 4.033 3.812 3.431 4.039 0.006 10 0 "[ . 1 . 2 . 3 . ]" 1
114 1 11 ILE HA 1 14 HIS H 3.772 . 3.772 3.292 2.942 3.727 . 0 0 "[ . 1 . 2 . 3 . ]" 1
115 1 11 ILE HA 1 15 GLY H 3.220 . 3.220 2.598 2.117 3.373 0.153 22 0 "[ . 1 . 2 . 3 . ]" 1
116 1 11 ILE HB 1 11 ILE MD 3.126 . 4.126 2.437 2.344 2.500 . 0 0 "[ . 1 . 2 . 3 . ]" 1
117 1 11 ILE HB 1 13 CYS H 5.188 . 5.188 5.236 5.193 5.309 0.121 31 0 "[ . 1 . 2 . 3 . ]" 1
118 1 11 ILE MG 1 15 GLY H 4.992 . 5.992 3.536 3.010 4.467 . 0 0 "[ . 1 . 2 . 3 . ]" 1
119 1 12 GLY HA2 1 13 CYS H 4.055 . 4.055 3.637 3.550 3.731 . 0 0 "[ . 1 . 2 . 3 . ]" 1
120 1 12 GLY HA3 1 13 CYS H 4.270 . 4.270 2.945 2.804 3.075 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 13 CYS H 1 13 CYS HB2 3.365 . 3.365 2.480 2.235 2.898 . 0 0 "[ . 1 . 2 . 3 . ]" 1
122 1 13 CYS H 1 13 CYS HB3 4.102 . 4.102 3.317 2.556 3.716 . 0 0 "[ . 1 . 2 . 3 . ]" 1
123 1 13 CYS H 1 14 HIS HD2 3.820 . 4.000 4.119 4.014 4.224 0.224 2 0 "[ . 1 . 2 . 3 . ]" 1
124 1 13 CYS HA 1 14 HIS H 3.772 . 3.772 3.573 3.497 3.631 . 0 0 "[ . 1 . 2 . 3 . ]" 1
125 1 13 CYS HB2 1 14 HIS H 3.541 . 3.541 3.070 2.304 3.977 0.435 27 0 "[ . 1 . 2 . 3 . ]" 1
126 1 13 CYS HB2 1 14 HIS HD2 4.214 . 4.214 3.582 2.679 4.956 0.741 11 3 "[ . 1+ . 2 . - 3 . * ]" 1
127 1 13 CYS HB2 1 22 ALA MB 4.543 . 4.543 3.971 3.346 4.940 0.397 30 0 "[ . 1 . 2 . 3 . ]" 1
128 1 14 HIS H 1 14 HIS HB2 3.317 . 3.317 2.244 2.094 2.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1
129 1 14 HIS H 1 14 HIS HB3 4.211 . 4.211 3.505 3.384 3.706 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 14 HIS H 1 14 HIS HD2 3.701 . 3.701 3.053 2.714 3.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
131 1 14 HIS H 1 15 GLY H 2.998 . 2.998 2.513 2.190 2.940 . 0 0 "[ . 1 . 2 . 3 . ]" 1
132 1 14 HIS HA 1 14 HIS HD1 3.311 . 3.311 2.577 2.277 3.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1
133 1 14 HIS HA 1 15 GLY H 4.270 . 4.270 3.461 3.217 3.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1
134 1 14 HIS HA 1 20 LYS H 4.211 . 4.211 3.652 2.353 4.262 0.051 36 0 "[ . 1 . 2 . 3 . ]" 1
135 1 14 HIS HA 1 20 LYS QB 4.654 . 5.654 3.632 2.065 5.111 . 0 0 "[ . 1 . 2 . 3 . ]" 1
136 1 14 HIS HB2 1 14 HIS HD1 3.940 . 3.940 3.835 3.770 3.881 . 0 0 "[ . 1 . 2 . 3 . ]" 1
137 1 14 HIS HB2 1 14 HIS HD2 3.972 . 3.972 2.802 2.733 2.889 . 0 0 "[ . 1 . 2 . 3 . ]" 1
138 1 14 HIS HB2 1 15 GLY H 3.587 . 3.587 3.241 2.768 3.662 0.076 22 0 "[ . 1 . 2 . 3 . ]" 1
139 1 14 HIS HB3 1 14 HIS HD1 3.012 . 4.000 2.743 2.554 2.934 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 14 HIS HD1 1 22 ALA MB 4.673 . 5.673 3.872 2.751 4.708 . 0 0 "[ . 1 . 2 . 3 . ]" 1
141 1 14 HIS HD1 1 29 VAL H 4.616 . 4.616 3.413 2.487 4.216 . 0 0 "[ . 1 . 2 . 3 . ]" 1
142 1 14 HIS HD1 1 29 VAL MG2 3.988 . 4.988 2.424 1.953 2.973 . 0 0 "[ . 1 . 2 . 3 . ]" 1
143 1 15 GLY H 1 20 LYS QB 4.817 . 5.817 4.560 3.360 5.313 . 0 0 "[ . 1 . 2 . 3 . ]" 1
144 1 15 GLY HA3 1 18 GLY H 4.043 . 5.000 4.457 3.446 5.064 0.064 28 0 "[ . 1 . 2 . 3 . ]" 1
145 1 15 GLY HA3 1 20 LYS H 4.343 . 4.843 3.642 2.674 4.906 0.064 17 0 "[ . 1 . 2 . 3 . ]" 1
146 1 16 ALA HA 1 17 ASP H 4.874 . 4.874 3.471 2.418 3.630 . 0 0 "[ . 1 . 2 . 3 . ]" 1
147 1 16 ALA MB 1 17 ASP H 4.666 . 4.666 2.484 1.905 3.776 . 0 0 "[ . 1 . 2 . 3 . ]" 1
148 1 17 ASP H 1 18 GLY H 3.215 . 3.215 2.994 2.254 3.338 0.123 32 0 "[ . 1 . 2 . 3 . ]" 1
149 1 17 ASP H 1 19 SER H 4.482 . 4.482 3.936 2.635 4.500 0.018 37 0 "[ . 1 . 2 . 3 . ]" 1
150 1 17 ASP HA 1 18 GLY H 3.887 . 3.887 2.995 2.124 3.581 . 0 0 "[ . 1 . 2 . 3 . ]" 1
151 1 17 ASP HA 1 79 LEU MD1 4.016 . 5.016 2.749 2.158 4.233 . 0 0 "[ . 1 . 2 . 3 . ]" 1
152 1 17 ASP HA 1 79 LEU MD2 4.747 . 5.747 2.758 2.095 4.227 . 0 0 "[ . 1 . 2 . 3 . ]" 1
153 1 17 ASP HA 1 79 LEU HG 4.733 . 5.000 3.682 2.173 5.019 0.019 10 0 "[ . 1 . 2 . 3 . ]" 1
154 1 17 ASP HB3 1 18 GLY H 4.295 . 4.295 4.094 2.039 4.670 0.375 14 0 "[ . 1 . 2 . 3 . ]" 1
155 1 18 GLY H 1 19 SER H 3.582 . 3.582 2.731 1.709 3.653 0.071 37 0 "[ . 1 . 2 . 3 . ]" 1
156 1 18 GLY H 1 30 LYS HA 4.064 . 5.000 4.999 4.036 5.188 0.188 8 0 "[ . 1 . 2 . 3 . ]" 1
157 1 18 GLY QA 1 30 LYS H 4.442 . 5.442 2.875 2.306 4.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1
158 1 18 GLY QA 1 79 LEU MD2 4.757 . 6.757 3.949 2.248 5.686 . 0 0 "[ . 1 . 2 . 3 . ]" 1
159 1 19 SER H 1 19 SER HB2 3.316 . 3.316 3.077 2.440 3.785 0.469 9 0 "[ . 1 . 2 . 3 . ]" 1
160 1 19 SER H 1 19 SER HB3 3.743 . 3.750 3.288 2.681 3.901 0.151 39 0 "[ . 1 . 2 . 3 . ]" 1
161 1 19 SER H 1 20 LYS H 3.362 . 3.362 2.530 1.980 3.435 0.072 32 0 "[ . 1 . 2 . 3 . ]" 1
162 1 19 SER HA 1 20 LYS H 3.970 . 3.970 3.418 2.293 3.698 . 0 0 "[ . 1 . 2 . 3 . ]" 1
163 1 19 SER HA 1 30 LYS H 4.740 . 4.740 3.872 3.418 4.773 0.033 32 0 "[ . 1 . 2 . 3 . ]" 1
164 1 19 SER HA 1 30 LYS QB 5.388 . 5.388 3.199 2.315 4.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1
165 1 20 LYS H 1 20 LYS HG2 3.940 . 3.940 2.873 2.146 4.201 0.262 7 0 "[ . 1 . 2 . 3 . ]" 1
166 1 20 LYS H 1 20 LYS HG3 3.744 . 3.744 3.335 1.996 4.051 0.307 5 0 "[ . 1 . 2 . 3 . ]" 1
167 1 20 LYS HA 1 20 LYS HG2 4.081 . 4.081 3.517 2.245 4.266 0.185 38 0 "[ . 1 . 2 . 3 . ]" 1
168 1 20 LYS HA 1 21 ALA H 3.162 . 3.162 2.323 2.101 2.985 . 0 0 "[ . 1 . 2 . 3 . ]" 1
169 1 20 LYS HG2 1 22 ALA MB 5.966 . 5.966 4.888 2.263 6.446 0.480 2 0 "[ . 1 . 2 . 3 . ]" 1
170 1 21 ALA HA 1 22 ALA H 2.975 . 2.975 2.432 2.165 3.193 0.219 23 0 "[ . 1 . 2 . 3 . ]" 1
171 1 21 ALA HA 1 26 ALA H 3.889 . 3.889 3.587 2.303 3.994 0.105 29 0 "[ . 1 . 2 . 3 . ]" 1
172 1 21 ALA MB 1 22 ALA H 4.666 . 5.666 3.461 1.818 3.759 . 0 0 "[ . 1 . 2 . 3 . ]" 1
173 1 22 ALA H 1 26 ALA H 4.861 . 4.861 4.037 3.082 4.885 0.024 15 0 "[ . 1 . 2 . 3 . ]" 1
174 1 22 ALA H 1 26 ALA MB 4.418 . 5.418 2.815 1.924 3.698 . 0 0 "[ . 1 . 2 . 3 . ]" 1
175 1 22 ALA HA 1 23 MET H 3.174 . 3.174 2.894 2.146 3.397 0.223 9 0 "[ . 1 . 2 . 3 . ]" 1
176 1 22 ALA MB 1 23 MET H 4.229 . 5.229 2.150 1.819 3.290 . 0 0 "[ . 1 . 2 . 3 . ]" 1
177 1 22 ALA MB 1 23 MET QG 4.968 . 4.968 3.262 2.715 3.891 . 0 0 "[ . 1 . 2 . 3 . ]" 1
178 1 22 ALA MB 1 26 ALA H 5.338 . 6.338 4.377 3.007 5.183 . 0 0 "[ . 1 . 2 . 3 . ]" 1
179 1 22 ALA MB 1 26 ALA MB 5.502 . 6.502 2.503 2.010 3.857 . 0 0 "[ . 1 . 2 . 3 . ]" 1
180 1 23 MET H 1 23 MET QG 3.130 . 3.130 2.346 1.917 3.084 . 0 0 "[ . 1 . 2 . 3 . ]" 1
181 1 24 GLY HA3 1 25 SER H 4.048 . 4.048 2.908 2.226 3.604 . 0 0 "[ . 1 . 2 . 3 . ]" 1
182 1 25 SER HB2 1 26 ALA H 4.324 . 4.324 4.313 3.558 4.640 0.316 27 0 "[ . 1 . 2 . 3 . ]" 1
183 1 26 ALA H 1 27 LYS H 5.099 . 5.099 4.568 4.223 4.792 . 0 0 "[ . 1 . 2 . 3 . ]" 1
184 1 26 ALA HA 1 27 LYS H 2.869 . 2.869 2.339 2.232 2.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1
185 1 27 LYS H 1 27 LYS QB 2.708 . 3.000 2.329 1.892 2.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1
186 1 27 LYS H 1 27 LYS HG2 3.037 . 3.500 3.126 1.999 4.157 0.657 4 2 "[ +. 1 . - 2 . 3 . ]" 1
187 1 27 LYS H 1 27 LYS HG3 3.530 . 4.000 2.918 2.070 4.087 0.087 21 0 "[ . 1 . 2 . 3 . ]" 1
188 1 27 LYS QB 1 32 GLN HE21 3.380 . 3.380 2.784 2.517 3.497 0.117 4 0 "[ . 1 . 2 . 3 . ]" 1
189 1 27 LYS QB 1 32 GLN QG 3.460 . 5.000 4.352 3.917 4.641 . 0 0 "[ . 1 . 2 . 3 . ]" 1
190 1 27 LYS HG3 1 32 GLN HE22 3.905 . 5.000 4.645 3.846 5.528 0.528 18 1 "[ . 1 . + 2 . 3 . ]" 1
191 1 28 PRO HA 1 29 VAL H 2.981 . 2.981 2.224 2.069 2.324 . 0 0 "[ . 1 . 2 . 3 . ]" 1
192 1 28 PRO HA 1 30 LYS H 5.129 . 5.129 3.987 3.698 4.276 . 0 0 "[ . 1 . 2 . 3 . ]" 1
193 1 28 PRO HB2 1 29 VAL H 4.396 . 4.396 3.601 2.943 4.243 . 0 0 "[ . 1 . 2 . 3 . ]" 1
194 1 28 PRO HB2 1 30 LYS H 3.666 . 3.666 3.514 2.868 4.183 0.517 18 1 "[ . 1 . + 2 . 3 . ]" 1
195 1 28 PRO HB3 1 29 VAL H 4.973 . 4.973 3.632 3.034 4.365 . 0 0 "[ . 1 . 2 . 3 . ]" 1
196 1 28 PRO HB3 1 30 LYS H 4.973 . 4.973 4.098 3.222 4.988 0.015 11 0 "[ . 1 . 2 . 3 . ]" 1
197 1 29 VAL H 1 29 VAL HB 3.946 . 3.946 2.541 2.089 3.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1
198 1 29 VAL H 1 29 VAL MG1 3.696 . 4.696 3.583 2.348 3.833 . 0 0 "[ . 1 . 2 . 3 . ]" 1
199 1 29 VAL H 1 29 VAL MG2 3.834 . 4.834 2.331 1.836 3.065 . 0 0 "[ . 1 . 2 . 3 . ]" 1
200 1 29 VAL H 1 30 LYS H 3.206 . 3.206 2.434 2.083 3.275 0.069 11 0 "[ . 1 . 2 . 3 . ]" 1
201 1 29 VAL H 1 37 LEU MD2 6.127 . 7.127 5.238 4.825 5.840 . 0 0 "[ . 1 . 2 . 3 . ]" 1
202 1 29 VAL HA 1 29 VAL MG2 3.574 . 4.574 2.426 2.134 3.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1
203 1 29 VAL HA 1 32 GLN H 3.632 . 3.832 3.837 3.630 3.915 0.083 37 0 "[ . 1 . 2 . 3 . ]" 1
204 1 29 VAL HA 1 32 GLN HE21 3.316 . 3.316 2.541 2.092 3.217 . 0 0 "[ . 1 . 2 . 3 . ]" 1
205 1 29 VAL HA 1 32 GLN HE22 3.050 . 3.050 3.283 2.628 3.479 0.428 33 0 "[ . 1 . 2 . 3 . ]" 1
206 1 29 VAL HA 1 32 GLN QG 4.679 . 4.679 2.502 2.163 3.068 . 0 0 "[ . 1 . 2 . 3 . ]" 1
207 1 29 VAL HB 1 30 LYS H 5.354 . 5.354 2.873 2.302 4.047 . 0 0 "[ . 1 . 2 . 3 . ]" 1
208 1 29 VAL HB 1 30 LYS QB 4.110 . 5.000 4.486 3.906 4.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1
209 1 29 VAL MG1 1 30 LYS H 4.033 . 5.033 3.545 2.879 4.352 . 0 0 "[ . 1 . 2 . 3 . ]" 1
210 1 29 VAL MG1 1 76 MET HG3 6.353 . 7.353 4.016 2.169 5.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1
211 1 29 VAL MG2 1 30 LYS H 5.502 . 6.502 3.689 2.057 4.301 . 0 0 "[ . 1 . 2 . 3 . ]" 1
212 1 29 VAL MG2 1 32 GLN HE21 5.502 . 5.502 3.759 2.931 5.287 . 0 0 "[ . 1 . 2 . 3 . ]" 1
213 1 29 VAL MG2 1 32 GLN HE22 5.437 . 6.437 3.896 3.141 5.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
214 1 29 VAL MG2 1 37 LEU MD2 5.542 . 5.542 3.279 2.383 4.155 . 0 0 "[ . 1 . 2 . 3 . ]" 1
215 1 30 LYS H 1 30 LYS QB . . 3.043 2.157 1.994 2.538 . 0 0 "[ . 1 . 2 . 3 . ]" 1
216 1 30 LYS H 1 30 LYS QG 4.817 . 5.817 3.794 2.022 4.362 . 0 0 "[ . 1 . 2 . 3 . ]" 1
217 1 30 LYS H 1 31 GLY H 4.463 . 4.463 4.208 3.586 4.454 . 0 0 "[ . 1 . 2 . 3 . ]" 1
218 1 30 LYS H 1 79 LEU MD2 6.191 . 7.191 5.540 3.704 6.975 . 0 0 "[ . 1 . 2 . 3 . ]" 1
219 1 30 LYS HA 1 31 GLY H 2.568 . 3.500 2.303 2.087 3.507 0.007 11 0 "[ . 1 . 2 . 3 . ]" 1
220 1 30 LYS HA 1 79 LEU MD2 7.110 . 8.110 4.062 2.450 5.563 . 0 0 "[ . 1 . 2 . 3 . ]" 1
221 1 30 LYS QB 1 31 GLY H 4.033 . 4.500 3.876 2.025 4.045 . 0 0 "[ . 1 . 2 . 3 . ]" 1
222 1 30 LYS QG 1 31 GLY H 4.091 . 5.091 3.613 2.110 4.521 . 0 0 "[ . 1 . 2 . 3 . ]" 1
223 1 31 GLY H 1 32 GLN H 3.179 . 3.179 3.137 2.586 3.314 0.135 1 0 "[ . 1 . 2 . 3 . ]" 1
224 1 31 GLY H 1 77 SER HA 4.192 . 5.000 3.786 3.097 5.035 0.035 2 0 "[ . 1 . 2 . 3 . ]" 1
225 1 31 GLY H 1 79 LEU HB3 4.324 . 5.000 3.523 2.557 5.022 0.022 11 0 "[ . 1 . 2 . 3 . ]" 1
226 1 31 GLY HA2 1 32 GLN H 3.084 . 3.500 2.929 2.492 3.576 0.076 38 0 "[ . 1 . 2 . 3 . ]" 1
227 1 31 GLY HA2 1 79 LEU HB3 4.211 . 5.000 4.928 3.945 5.953 0.953 36 7 "[ . ** 1 . 2 * * *3- .+ ]" 1
228 1 32 GLN H 1 32 GLN QG 3.016 . 3.016 2.131 1.944 2.646 . 0 0 "[ . 1 . 2 . 3 . ]" 1
229 1 32 GLN H 1 33 GLY H 4.528 . 4.528 2.998 2.591 4.649 0.121 29 0 "[ . 1 . 2 . 3 . ]" 1
230 1 32 GLN H 1 37 LEU MD1 4.602 . 5.602 2.727 2.311 4.309 . 0 0 "[ . 1 . 2 . 3 . ]" 1
231 1 32 GLN H 1 37 LEU MD2 5.006 . 6.006 3.245 2.677 4.258 . 0 0 "[ . 1 . 2 . 3 . ]" 1
232 1 32 GLN HA 1 32 GLN QG 3.028 . 3.528 2.868 2.526 3.379 . 0 0 "[ . 1 . 2 . 3 . ]" 1
233 1 32 GLN HA 1 33 GLY H 2.682 . 3.200 3.299 2.346 3.409 0.209 5 0 "[ . 1 . 2 . 3 . ]" 1
234 1 32 GLN HA 1 37 LEU MD1 6.714 . 7.714 4.680 4.169 4.935 . 0 0 "[ . 1 . 2 . 3 . ]" 1
235 1 32 GLN QB 1 33 GLY H 4.090 . 5.090 2.290 1.865 3.656 . 0 0 "[ . 1 . 2 . 3 . ]" 1
236 1 32 GLN HE21 1 37 LEU MD2 4.610 . 5.610 4.038 2.983 4.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1
237 1 32 GLN HE22 1 37 LEU MD2 5.149 . 6.149 4.289 3.630 5.056 . 0 0 "[ . 1 . 2 . 3 . ]" 1
238 1 32 GLN QG 1 33 GLY H 3.025 . 4.000 3.224 2.392 3.767 . 0 0 "[ . 1 . 2 . 3 . ]" 1
239 1 32 GLN QG 1 37 LEU HG 3.004 . 3.004 2.790 2.102 3.073 0.069 10 0 "[ . 1 . 2 . 3 . ]" 1
240 1 33 GLY H 1 36 GLU HB2 4.108 . 4.108 3.312 2.814 4.288 0.180 39 0 "[ . 1 . 2 . 3 . ]" 1
241 1 33 GLY H 1 36 GLU HB3 4.154 . 4.154 3.924 2.843 4.268 0.114 34 0 "[ . 1 . 2 . 3 . ]" 1
242 1 33 GLY H 1 36 GLU QG 4.355 . 4.355 4.150 3.385 4.319 . 0 0 "[ . 1 . 2 . 3 . ]" 1
243 1 33 GLY H 1 37 LEU MD1 4.550 . 5.550 2.594 2.108 4.255 . 0 0 "[ . 1 . 2 . 3 . ]" 1
244 1 33 GLY HA2 1 34 ALA MB 3.074 . 5.200 4.124 3.883 4.299 . 0 0 "[ . 1 . 2 . 3 . ]" 1
245 1 34 ALA H 1 36 GLU H 4.146 . 4.546 4.513 4.150 4.611 0.065 35 0 "[ . 1 . 2 . 3 . ]" 1
246 1 34 ALA H 1 37 LEU H 4.195 . 4.695 4.739 4.653 4.780 0.085 22 0 "[ . 1 . 2 . 3 . ]" 1
247 1 34 ALA HA 1 35 GLU H 4.705 . 4.705 3.593 3.534 3.653 . 0 0 "[ . 1 . 2 . 3 . ]" 1
248 1 34 ALA HA 1 36 GLU H 4.679 . 4.679 4.644 4.332 4.713 0.034 27 0 "[ . 1 . 2 . 3 . ]" 1
249 1 34 ALA HA 1 37 LEU H 3.772 . 3.772 3.671 3.475 3.795 0.023 7 0 "[ . 1 . 2 . 3 . ]" 1
250 1 34 ALA HA 1 37 LEU HB2 3.509 . 3.509 2.441 2.206 2.731 . 0 0 "[ . 1 . 2 . 3 . ]" 1
251 1 34 ALA HA 1 37 LEU MD1 4.181 . 5.181 2.615 2.324 3.032 . 0 0 "[ . 1 . 2 . 3 . ]" 1
252 1 34 ALA HA 1 73 ALA MB 4.265 . 5.265 2.684 2.326 2.974 . 0 0 "[ . 1 . 2 . 3 . ]" 1
253 1 34 ALA MB 1 35 GLU H 3.652 . 4.652 2.595 2.387 2.865 . 0 0 "[ . 1 . 2 . 3 . ]" 1
254 1 34 ALA MB 1 74 ASP H 4.121 . 5.121 4.120 4.062 4.173 . 0 0 "[ . 1 . 2 . 3 . ]" 1
255 1 34 ALA MB 1 74 ASP HA 4.246 . 5.246 2.858 2.552 3.260 . 0 0 "[ . 1 . 2 . 3 . ]" 1
256 1 34 ALA MB 1 77 SER H 6.010 . 7.010 4.316 4.074 4.589 . 0 0 "[ . 1 . 2 . 3 . ]" 1
257 1 35 GLU H 1 35 GLU HB2 3.137 . 3.200 2.616 2.135 3.560 0.360 14 0 "[ . 1 . 2 . 3 . ]" 1
258 1 35 GLU H 1 35 GLU HB3 3.308 . 3.500 3.234 2.534 3.546 0.046 15 0 "[ . 1 . 2 . 3 . ]" 1
259 1 35 GLU H 1 35 GLU QG 4.705 . 5.705 2.785 1.909 4.076 . 0 0 "[ . 1 . 2 . 3 . ]" 1
260 1 35 GLU H 1 36 GLU H 3.174 . 3.174 2.689 2.512 2.848 . 0 0 "[ . 1 . 2 . 3 . ]" 1
261 1 35 GLU H 1 37 LEU H 4.207 . 4.207 4.225 4.166 4.253 0.046 27 0 "[ . 1 . 2 . 3 . ]" 1
262 1 35 GLU HB3 1 36 GLU H 3.220 . 3.220 3.354 2.422 4.153 0.934 13 8 "[* *. ** 1 +*.* 2 . - 3 . ]" 1
263 1 35 GLU QG 1 36 GLU H 5.371 . 6.371 3.758 1.967 4.514 . 0 0 "[ . 1 . 2 . 3 . ]" 1
264 1 36 GLU H 1 36 GLU HB2 2.989 . 2.989 2.276 1.940 2.942 . 0 0 "[ . 1 . 2 . 3 . ]" 1
265 1 36 GLU H 1 36 GLU HB3 2.992 . 3.500 3.247 2.200 3.560 0.060 27 0 "[ . 1 . 2 . 3 . ]" 1
266 1 36 GLU H 1 36 GLU QG 4.050 . 4.050 2.816 2.064 3.866 . 0 0 "[ . 1 . 2 . 3 . ]" 1
267 1 36 GLU H 1 37 LEU H 3.004 . 3.004 2.735 2.338 2.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1
268 1 36 GLU H 1 38 TYR H 4.740 . 4.740 4.378 4.072 4.642 . 0 0 "[ . 1 . 2 . 3 . ]" 1
269 1 36 GLU HA 1 36 GLU QG 3.416 . 3.416 2.721 2.369 3.005 . 0 0 "[ . 1 . 2 . 3 . ]" 1
270 1 36 GLU HA 1 37 LEU H 3.857 . 3.857 3.560 3.507 3.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
271 1 36 GLU HA 1 39 LYS QB 4.013 . 4.013 3.107 2.877 3.374 . 0 0 "[ . 1 . 2 . 3 . ]" 1
272 1 36 GLU HA 1 40 LYS H 4.543 . 4.543 4.183 3.905 4.610 0.067 31 0 "[ . 1 . 2 . 3 . ]" 1
273 1 36 GLU HB3 1 37 LEU H 4.062 . 4.062 2.851 2.093 3.389 . 0 0 "[ . 1 . 2 . 3 . ]" 1
274 1 36 GLU QG 1 37 LEU H 4.517 . 4.517 3.880 2.979 4.154 . 0 0 "[ . 1 . 2 . 3 . ]" 1
275 1 37 LEU H 1 37 LEU HB2 2.844 . 3.000 2.246 1.994 2.408 . 0 0 "[ . 1 . 2 . 3 . ]" 1
276 1 37 LEU H 1 37 LEU HB3 3.288 . 3.750 3.456 3.269 3.593 . 0 0 "[ . 1 . 2 . 3 . ]" 1
277 1 37 LEU H 1 37 LEU MD1 4.750 . 5.750 3.297 3.184 3.401 . 0 0 "[ . 1 . 2 . 3 . ]" 1
278 1 37 LEU H 1 37 LEU MD2 4.597 . 5.597 3.671 3.439 3.828 . 0 0 "[ . 1 . 2 . 3 . ]" 1
279 1 37 LEU H 1 37 LEU HG 2.962 . 2.962 2.369 2.184 2.610 . 0 0 "[ . 1 . 2 . 3 . ]" 1
280 1 37 LEU H 1 38 TYR H 3.461 . 3.461 2.966 2.804 3.096 . 0 0 "[ . 1 . 2 . 3 . ]" 1
281 1 37 LEU H 1 39 LYS H 5.068 . 5.068 4.458 4.309 4.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1
282 1 37 LEU H 1 73 ALA MB 5.659 . 6.659 4.108 3.949 4.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1
283 1 37 LEU HA 1 37 LEU MD2 3.505 . 4.505 2.192 2.106 2.312 . 0 0 "[ . 1 . 2 . 3 . ]" 1
284 1 37 LEU HA 1 38 TYR H 4.699 . 4.699 3.632 3.603 3.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1
285 1 37 LEU HA 1 40 LYS H 3.748 . 3.748 3.600 3.343 3.815 0.067 34 0 "[ . 1 . 2 . 3 . ]" 1
286 1 37 LEU HA 1 40 LYS HB3 4.000 . 4.000 4.222 3.916 4.788 0.788 31 7 "[ ** 1 -.* 2 * . 3+ *. ]" 1
287 1 37 LEU HB2 1 73 ALA MB 5.765 . 6.765 2.435 2.195 2.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1
288 1 37 LEU HB3 1 38 TYR H 3.389 . 3.389 3.175 2.747 3.451 0.063 26 0 "[ . 1 . 2 . 3 . ]" 1
289 1 37 LEU MD1 1 38 TYR H 7.684 . 8.684 4.289 4.131 4.484 . 0 0 "[ . 1 . 2 . 3 . ]" 1
290 1 37 LEU MD1 1 73 ALA HA 4.886 . 5.886 2.810 2.463 3.309 . 0 0 "[ . 1 . 2 . 3 . ]" 1
291 1 37 LEU MD1 1 76 MET H 4.469 . 5.469 3.842 3.533 4.155 . 0 0 "[ . 1 . 2 . 3 . ]" 1
292 1 37 LEU MD1 1 76 MET HB2 5.354 . 6.354 2.305 2.026 2.661 . 0 0 "[ . 1 . 2 . 3 . ]" 1
293 1 37 LEU MD1 1 76 MET HB3 5.064 . 6.064 2.503 2.135 3.010 . 0 0 "[ . 1 . 2 . 3 . ]" 1
294 1 37 LEU MD1 1 77 SER H 4.124 . 5.124 2.790 2.477 3.345 . 0 0 "[ . 1 . 2 . 3 . ]" 1
295 1 37 LEU MD2 1 38 TYR H 5.885 . 6.885 4.690 4.491 4.828 . 0 0 "[ . 1 . 2 . 3 . ]" 1
296 1 37 LEU MD2 1 76 MET HB2 4.409 . 5.409 3.061 2.516 3.932 . 0 0 "[ . 1 . 2 . 3 . ]" 1
297 1 38 TYR H 1 38 TYR HB2 2.987 . 2.987 2.462 2.261 2.619 . 0 0 "[ . 1 . 2 . 3 . ]" 1
298 1 38 TYR H 1 38 TYR HB3 2.852 . 2.852 2.597 2.441 2.753 . 0 0 "[ . 1 . 2 . 3 . ]" 1
299 1 38 TYR H 1 39 LYS H 3.215 . 3.215 2.967 2.753 3.134 . 0 0 "[ . 1 . 2 . 3 . ]" 1
300 1 38 TYR H 1 40 LYS H 5.278 . 5.278 4.418 4.296 4.542 . 0 0 "[ . 1 . 2 . 3 . ]" 1
301 1 38 TYR H 1 41 MET QG 4.159 . 5.000 4.069 3.710 4.358 . 0 0 "[ . 1 . 2 . 3 . ]" 1
302 1 38 TYR H 1 73 ALA MB 3.862 . 4.862 2.279 2.074 2.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1
303 1 38 TYR HA 1 39 LYS H 3.389 . 3.500 3.541 3.463 3.597 0.097 21 0 "[ . 1 . 2 . 3 . ]" 1
304 1 38 TYR HA 1 41 MET H 4.487 . 4.487 3.719 3.420 3.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1
305 1 38 TYR HA 1 41 MET QG 4.663 . 4.663 2.134 2.017 2.276 . 0 0 "[ . 1 . 2 . 3 . ]" 1
306 1 38 TYR HB2 1 39 LYS H 3.931 . 3.931 3.707 3.371 3.938 0.007 33 0 "[ . 1 . 2 . 3 . ]" 1
307 1 38 TYR HB2 1 73 ALA MB 3.336 . 4.336 2.396 2.169 2.602 . 0 0 "[ . 1 . 2 . 3 . ]" 1
308 1 38 TYR HB3 1 39 LYS H 3.121 . 3.121 2.330 1.958 2.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1
309 1 38 TYR HB3 1 73 ALA MB 5.310 . 6.310 3.575 3.394 3.715 . 0 0 "[ . 1 . 2 . 3 . ]" 1
310 1 39 LYS H 1 39 LYS QB 2.914 . 2.914 2.296 2.064 2.478 . 0 0 "[ . 1 . 2 . 3 . ]" 1
311 1 39 LYS H 1 39 LYS QD 3.574 . 4.574 3.773 2.243 4.292 . 0 0 "[ . 1 . 2 . 3 . ]" 1
312 1 39 LYS H 1 40 LYS H 3.245 . 3.245 2.903 2.714 3.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1
313 1 39 LYS HA 1 40 LYS H 3.912 . 3.912 3.613 3.531 3.684 . 0 0 "[ . 1 . 2 . 3 . ]" 1
314 1 39 LYS HA 1 42 LYS H 3.679 . 3.679 3.734 3.684 3.800 0.121 5 0 "[ . 1 . 2 . 3 . ]" 1
315 1 39 LYS HA 1 42 LYS QB 3.373 . 3.373 2.705 2.435 2.881 . 0 0 "[ . 1 . 2 . 3 . ]" 1
316 1 39 LYS QB 1 40 LYS H 3.434 . 3.434 2.499 2.208 2.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
317 1 40 LYS H 1 40 LYS HB2 3.012 . 3.200 2.249 2.135 2.416 . 0 0 "[ . 1 . 2 . 3 . ]" 1
318 1 40 LYS H 1 40 LYS HB3 3.050 . 3.500 3.448 3.386 3.558 0.058 35 0 "[ . 1 . 2 . 3 . ]" 1
319 1 40 LYS H 1 40 LYS QG 4.202 . 5.202 2.492 2.088 3.620 . 0 0 "[ . 1 . 2 . 3 . ]" 1
320 1 40 LYS H 1 41 MET H 3.250 . 3.250 2.868 2.691 3.045 . 0 0 "[ . 1 . 2 . 3 . ]" 1
321 1 40 LYS H 1 42 LYS H 4.949 . 4.949 4.181 3.983 4.419 . 0 0 "[ . 1 . 2 . 3 . ]" 1
322 1 40 LYS HA 1 41 MET H 4.396 . 4.396 3.675 3.613 3.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1
323 1 40 LYS HA 1 43 GLY H 4.006 . 4.006 3.247 2.948 3.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1
324 1 40 LYS HA 1 44 TYR H 4.588 . 4.588 3.870 3.659 4.126 . 0 0 "[ . 1 . 2 . 3 . ]" 1
325 1 40 LYS HA 1 49 TYR HB2 3.704 . 3.704 3.945 3.444 4.474 0.770 5 8 "[ * +-* * * . * * . 3 . ]" 1
326 1 40 LYS HA 1 49 TYR QD 5.474 . 7.474 3.153 2.458 3.919 . 0 0 "[ . 1 . 2 . 3 . ]" 1
327 1 40 LYS HA 1 49 TYR QE 5.520 . 7.520 4.108 3.393 5.070 . 0 0 "[ . 1 . 2 . 3 . ]" 1
328 1 40 LYS HB2 1 41 MET H 3.619 . 3.619 2.701 2.371 3.027 . 0 0 "[ . 1 . 2 . 3 . ]" 1
329 1 40 LYS HB2 1 44 TYR QE 5.363 . 7.363 4.868 4.231 6.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1
330 1 40 LYS HB2 1 49 TYR QD 5.267 . 7.267 4.856 4.282 5.357 . 0 0 "[ . 1 . 2 . 3 . ]" 1
331 1 40 LYS HB2 1 49 TYR QE 4.064 . 6.064 4.581 3.780 5.601 . 0 0 "[ . 1 . 2 . 3 . ]" 1
332 1 40 LYS HB3 1 41 MET H 3.407 . 3.407 3.460 3.161 3.658 0.251 9 0 "[ . 1 . 2 . 3 . ]" 1
333 1 40 LYS QG 1 49 TYR QE 4.386 . 7.386 3.291 2.286 4.508 . 0 0 "[ . 1 . 2 . 3 . ]" 1
334 1 41 MET H 1 41 MET HB2 3.174 . 3.750 3.563 3.011 3.751 0.001 4 0 "[ . 1 . 2 . 3 . ]" 1
335 1 41 MET H 1 41 MET HB3 3.060 . 3.100 2.938 2.368 3.418 0.318 9 0 "[ . 1 . 2 . 3 . ]" 1
336 1 41 MET H 1 41 MET QG 3.437 . 3.437 2.361 2.065 2.800 . 0 0 "[ . 1 . 2 . 3 . ]" 1
337 1 41 MET H 1 42 LYS H 3.304 . 3.304 2.760 2.520 2.916 . 0 0 "[ . 1 . 2 . 3 . ]" 1
338 1 41 MET HA 1 44 TYR H 3.145 . 3.545 3.272 2.961 3.517 . 0 0 "[ . 1 . 2 . 3 . ]" 1
339 1 41 MET HA 1 44 TYR QD 3.491 . 5.491 2.473 2.143 4.086 . 0 0 "[ . 1 . 2 . 3 . ]" 1
340 1 41 MET HA 1 44 TYR QE 5.082 . 7.082 4.573 4.113 6.157 . 0 0 "[ . 1 . 2 . 3 . ]" 1
341 1 41 MET HA 1 61 VAL MG2 7.122 . 8.122 3.262 2.581 4.141 . 0 0 "[ . 1 . 2 . 3 . ]" 1
342 1 41 MET HB2 1 42 LYS H 3.835 . 4.000 3.636 2.562 4.108 0.108 26 0 "[ . 1 . 2 . 3 . ]" 1
343 1 41 MET HB2 1 45 ALA H 4.592 . 5.000 4.746 4.458 5.075 0.075 9 0 "[ . 1 . 2 . 3 . ]" 1
344 1 41 MET HB2 1 61 VAL MG2 5.437 . 6.437 3.367 2.238 4.325 . 0 0 "[ . 1 . 2 . 3 . ]" 1
345 1 41 MET HB2 1 69 LEU MD1 6.881 . 7.881 4.318 2.380 6.191 . 0 0 "[ . 1 . 2 . 3 . ]" 1
346 1 41 MET HB2 1 69 LEU MD2 4.030 . 5.030 2.834 2.013 4.291 . 0 0 "[ . 1 . 2 . 3 . ]" 1
347 1 41 MET QG 1 42 LYS H . . 4.057 2.693 2.340 3.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1
348 1 41 MET QG 1 69 LEU MD2 6.066 . 7.066 3.359 2.666 4.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1
349 1 41 MET QG 1 72 LEU H 4.654 . 4.654 4.653 4.471 4.734 0.080 1 0 "[ . 1 . 2 . 3 . ]" 1
350 1 41 MET QG 1 73 ALA H 3.229 . 3.229 3.200 3.107 3.261 0.032 14 0 "[ . 1 . 2 . 3 . ]" 1
351 1 41 MET QG 1 73 ALA MB 3.336 . 4.336 2.649 2.370 2.890 . 0 0 "[ . 1 . 2 . 3 . ]" 1
352 1 41 MET QG 1 74 ASP H 5.969 . 5.969 5.598 5.393 5.699 . 0 0 "[ . 1 . 2 . 3 . ]" 1
353 1 42 LYS H 1 42 LYS QB 2.875 . 2.875 2.242 2.110 2.429 . 0 0 "[ . 1 . 2 . 3 . ]" 1
354 1 42 LYS H 1 42 LYS QG 3.677 . 4.677 3.726 2.364 4.090 . 0 0 "[ . 1 . 2 . 3 . ]" 1
355 1 42 LYS H 1 69 LEU MD1 5.244 . 6.244 4.173 3.240 4.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1
356 1 42 LYS H 1 69 LEU MD2 4.985 . 5.985 4.227 2.895 5.193 . 0 0 "[ . 1 . 2 . 3 . ]" 1
357 1 42 LYS HA 1 43 GLY H 3.907 . 3.907 3.569 3.507 3.621 . 0 0 "[ . 1 . 2 . 3 . ]" 1
358 1 42 LYS HA 1 45 ALA H 3.680 . 3.680 3.510 3.077 3.707 0.026 34 0 "[ . 1 . 2 . 3 . ]" 1
359 1 42 LYS HA 1 45 ALA MB 4.284 . 5.284 2.498 2.231 2.959 . 0 0 "[ . 1 . 2 . 3 . ]" 1
360 1 42 LYS HA 1 69 LEU MD1 4.154 . 5.154 2.574 1.995 3.213 . 0 0 "[ . 1 . 2 . 3 . ]" 1
361 1 42 LYS QB 1 43 GLY H 3.646 . 3.646 2.490 2.271 2.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
362 1 43 GLY H 1 44 TYR H 2.881 . 2.881 2.900 2.821 2.983 0.102 7 0 "[ . 1 . 2 . 3 . ]" 1
363 1 43 GLY H 1 49 TYR HB3 4.756 . 4.756 4.309 4.084 4.589 . 0 0 "[ . 1 . 2 . 3 . ]" 1
364 1 43 GLY HA2 1 44 TYR H 3.574 . 3.574 3.568 3.486 3.612 0.038 39 0 "[ . 1 . 2 . 3 . ]" 1
365 1 43 GLY HA2 1 46 ASP H 4.673 . 4.673 3.939 3.575 4.315 . 0 0 "[ . 1 . 2 . 3 . ]" 1
366 1 43 GLY HA2 1 49 TYR HB2 3.544 . 3.544 3.351 2.403 3.881 0.337 38 0 "[ . 1 . 2 . 3 . ]" 1
367 1 43 GLY HA2 1 49 TYR HB3 3.912 . 3.912 3.487 2.454 3.934 0.022 8 0 "[ . 1 . 2 . 3 . ]" 1
368 1 43 GLY HA2 1 49 TYR QD 5.142 . 7.142 4.947 4.062 5.335 . 0 0 "[ . 1 . 2 . 3 . ]" 1
369 1 43 GLY HA3 1 44 TYR H 3.694 . 3.694 2.592 2.262 2.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1
370 1 43 GLY HA3 1 49 TYR HB3 3.590 . 3.590 2.336 2.040 2.692 . 0 0 "[ . 1 . 2 . 3 . ]" 1
371 1 43 GLY HA3 1 49 TYR QE 4.278 . 6.278 5.550 4.522 5.965 . 0 0 "[ . 1 . 2 . 3 . ]" 1
372 1 44 TYR H 1 44 TYR HB2 3.102 . 3.750 2.317 2.202 2.453 . 0 0 "[ . 1 . 2 . 3 . ]" 1
373 1 44 TYR H 1 44 TYR HB3 3.368 . 3.368 3.536 3.456 3.626 0.258 30 0 "[ . 1 . 2 . 3 . ]" 1
374 1 44 TYR H 1 44 TYR QD 4.451 . 6.451 3.351 3.003 3.955 . 0 0 "[ . 1 . 2 . 3 . ]" 1
375 1 44 TYR H 1 45 ALA H 3.060 . 3.060 2.818 2.675 2.954 . 0 0 "[ . 1 . 2 . 3 . ]" 1
376 1 44 TYR H 1 45 ALA MB 5.495 . 6.495 4.425 4.317 4.572 . 0 0 "[ . 1 . 2 . 3 . ]" 1
377 1 44 TYR H 1 46 ASP H 4.628 . 4.628 4.218 4.020 4.501 . 0 0 "[ . 1 . 2 . 3 . ]" 1
378 1 44 TYR H 1 49 TYR HB2 4.134 . 4.134 4.322 3.834 4.810 0.676 7 7 "[ - * + 1 ** . 2 . 3 * . *]" 1
379 1 44 TYR H 1 49 TYR HB3 4.800 . 4.800 3.015 2.753 3.304 . 0 0 "[ . 1 . 2 . 3 . ]" 1
380 1 44 TYR H 1 49 TYR QD 4.805 . 6.805 3.420 2.580 4.080 . 0 0 "[ . 1 . 2 . 3 . ]" 1
381 1 44 TYR H 1 61 VAL MG1 4.729 . 5.729 4.833 3.958 6.071 0.342 34 0 "[ . 1 . 2 . 3 . ]" 1
382 1 44 TYR HA 1 44 TYR QD 3.659 . 5.659 2.294 2.154 2.649 . 0 0 "[ . 1 . 2 . 3 . ]" 1
383 1 44 TYR HA 1 44 TYR QE 5.363 . 7.363 4.409 4.047 4.657 . 0 0 "[ . 1 . 2 . 3 . ]" 1
384 1 44 TYR HA 1 45 ALA H 4.355 . 4.355 3.615 3.578 3.652 . 0 0 "[ . 1 . 2 . 3 . ]" 1
385 1 44 TYR HA 1 47 GLY H 4.822 . 4.822 3.444 2.914 3.796 . 0 0 "[ . 1 . 2 . 3 . ]" 1
386 1 44 TYR HA 1 49 TYR QD 5.222 . 7.222 4.207 3.744 4.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1
387 1 44 TYR HB2 1 45 ALA H 3.718 . 3.718 2.510 2.275 3.034 . 0 0 "[ . 1 . 2 . 3 . ]" 1
388 1 44 TYR HB2 1 61 VAL MG1 7.439 . 8.439 3.018 2.096 4.351 . 0 0 "[ . 1 . 2 . 3 . ]" 1
389 1 44 TYR HB3 1 45 ALA H 3.118 . 3.118 3.280 3.010 3.710 0.592 30 2 "[ . 1 . 2 . + . - ]" 1
390 1 44 TYR QD 1 54 LYS HA 4.355 . 6.355 5.091 4.187 5.844 . 0 0 "[ . 1 . 2 . 3 . ]" 1
391 1 44 TYR QD 1 54 LYS QB 5.671 . 8.671 3.076 2.326 4.149 . 0 0 "[ . 1 . 2 . 3 . ]" 1
392 1 44 TYR QE 1 49 TYR QE 4.757 . 8.757 3.061 2.358 3.596 . 0 0 "[ . 1 . 2 . 3 . ]" 1
393 1 44 TYR QE 1 50 GLY HA2 3.942 . 5.942 2.791 2.136 4.767 . 0 0 "[ . 1 . 2 . 3 . ]" 1
394 1 44 TYR QE 1 50 GLY HA3 3.665 . 5.665 3.664 2.041 4.480 . 0 0 "[ . 1 . 2 . 3 . ]" 1
395 1 44 TYR QE 1 53 ARG QG 4.332 . 7.332 5.345 4.578 5.806 . 0 0 "[ . 1 . 2 . 3 . ]" 1
396 1 44 TYR QE 1 54 LYS HA 3.558 . 5.558 4.252 2.724 5.259 . 0 0 "[ . 1 . 2 . 3 . ]" 1
397 1 44 TYR QE 1 54 LYS HG3 5.746 . 7.746 3.505 2.085 4.948 . 0 0 "[ . 1 . 2 . 3 . ]" 1
398 1 44 TYR QE 1 57 MET HB3 4.501 . 6.501 4.407 2.390 5.192 . 0 0 "[ . 1 . 2 . 3 . ]" 1
399 1 45 ALA H 1 46 ASP H 3.041 . 3.041 2.865 2.717 3.047 0.006 25 0 "[ . 1 . 2 . 3 . ]" 1
400 1 45 ALA H 1 61 VAL MG1 4.111 . 5.111 3.642 2.455 5.025 . 0 0 "[ . 1 . 2 . 3 . ]" 1
401 1 45 ALA H 1 61 VAL MG2 5.774 . 6.774 3.063 2.244 4.021 . 0 0 "[ . 1 . 2 . 3 . ]" 1
402 1 45 ALA H 1 69 LEU MD1 5.400 . 6.400 4.559 3.581 5.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
403 1 45 ALA H 1 69 LEU MD2 5.332 . 6.332 4.117 3.590 4.948 . 0 0 "[ . 1 . 2 . 3 . ]" 1
404 1 45 ALA HA 1 58 THR MG 7.009 . 8.009 3.636 2.707 4.324 . 0 0 "[ . 1 . 2 . 3 . ]" 1
405 1 45 ALA HA 1 61 VAL MG1 3.908 . 4.908 3.807 2.171 5.184 0.275 29 0 "[ . 1 . 2 . 3 . ]" 1
406 1 45 ALA MB 1 46 ASP H 4.013 . 5.013 2.558 2.364 2.731 . 0 0 "[ . 1 . 2 . 3 . ]" 1
407 1 45 ALA MB 1 61 VAL MG1 6.486 . 8.486 3.310 2.126 4.467 . 0 0 "[ . 1 . 2 . 3 . ]" 1
408 1 45 ALA MB 1 62 LYS HA 4.670 . 5.670 2.804 2.224 4.700 . 0 0 "[ . 1 . 2 . 3 . ]" 1
409 1 46 ASP H 1 46 ASP HB2 3.400 . 3.400 2.660 2.341 3.675 0.276 35 0 "[ . 1 . 2 . 3 . ]" 1
410 1 46 ASP H 1 46 ASP HB3 3.544 . 3.750 2.638 2.275 3.622 . 0 0 "[ . 1 . 2 . 3 . ]" 1
411 1 46 ASP H 1 47 GLY H 3.106 . 3.106 2.625 2.396 2.872 . 0 0 "[ . 1 . 2 . 3 . ]" 1
412 1 46 ASP H 1 48 SER H 4.126 . 4.126 4.035 3.646 4.201 0.075 7 0 "[ . 1 . 2 . 3 . ]" 1
413 1 46 ASP HA 1 47 GLY H 3.767 . 3.767 3.473 3.126 3.580 . 0 0 "[ . 1 . 2 . 3 . ]" 1
414 1 47 GLY H 1 48 SER H 3.254 . 3.254 2.433 1.927 2.953 . 0 0 "[ . 1 . 2 . 3 . ]" 1
415 1 47 GLY H 1 58 THR MG 5.197 . 6.197 3.567 2.686 4.783 . 0 0 "[ . 1 . 2 . 3 . ]" 1
416 1 47 GLY HA3 1 58 THR MG 4.914 . 5.914 3.399 2.647 4.951 . 0 0 "[ . 1 . 2 . 3 . ]" 1
417 1 48 SER H 1 48 SER HB2 3.220 . 3.220 3.286 2.463 3.797 0.578 36 2 "[ . 1 . 2 - 3 .+ ]" 1
418 1 48 SER H 1 48 SER HB3 4.199 . 4.199 3.200 2.636 3.781 . 0 0 "[ . 1 . 2 . 3 . ]" 1
419 1 48 SER H 1 49 TYR H 3.289 . 3.289 2.306 2.012 2.702 . 0 0 "[ . 1 . 2 . 3 . ]" 1
420 1 48 SER HB2 1 49 TYR H 4.800 . 4.800 2.998 2.341 4.674 . 0 0 "[ . 1 . 2 . 3 . ]" 1
421 1 49 TYR H 1 49 TYR HA 3.088 . 3.088 2.931 2.838 2.988 . 0 0 "[ . 1 . 2 . 3 . ]" 1
422 1 49 TYR H 1 49 TYR HB2 3.220 . 3.220 2.690 2.458 3.334 0.115 31 0 "[ . 1 . 2 . 3 . ]" 1
423 1 49 TYR H 1 49 TYR HB3 3.270 . 3.270 2.583 2.356 3.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1
424 1 49 TYR HA 1 49 TYR QD 3.856 . 5.856 2.439 2.092 2.832 . 0 0 "[ . 1 . 2 . 3 . ]" 1
425 1 49 TYR HA 1 49 TYR QE 3.416 . 5.416 4.459 4.265 4.786 . 0 0 "[ . 1 . 2 . 3 . ]" 1
426 1 49 TYR HA 1 50 GLY H 3.004 . 3.004 2.448 2.214 3.283 0.279 27 0 "[ . 1 . 2 . 3 . ]" 1
427 1 49 TYR QD 1 50 GLY H 4.646 . 6.646 3.847 2.095 4.711 . 0 0 "[ . 1 . 2 . 3 . ]" 1
428 1 49 TYR QE 1 50 GLY H 4.422 . 6.422 5.152 3.317 6.088 . 0 0 "[ . 1 . 2 . 3 . ]" 1
429 1 50 GLY HA2 1 51 GLY H 3.166 . 3.166 2.723 2.145 3.449 0.283 32 0 "[ . 1 . 2 . 3 . ]" 1
430 1 50 GLY HA3 1 51 GLY H 3.245 . 3.245 2.546 2.158 3.446 0.202 27 0 "[ . 1 . 2 . 3 . ]" 1
431 1 50 GLY HA3 1 54 LYS QB 3.184 . 4.184 3.199 2.414 3.770 . 0 0 "[ . 1 . 2 . 3 . ]" 1
432 1 51 GLY H 1 54 LYS QB 5.674 . 6.674 2.603 1.844 5.922 . 0 0 "[ . 1 . 2 . 3 . ]" 1
433 1 51 GLY HA2 1 52 GLU H 3.756 . 3.756 2.679 2.142 3.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
434 1 51 GLY HA3 1 52 GLU H 3.856 . 3.856 2.782 2.249 3.388 . 0 0 "[ . 1 . 2 . 3 . ]" 1
435 1 52 GLU H 1 53 ARG H 4.288 . 4.288 3.761 2.680 4.471 0.184 26 0 "[ . 1 . 2 . 3 . ]" 1
436 1 52 GLU HA 1 53 ARG H 3.931 . 3.931 3.418 2.259 3.657 . 0 0 "[ . 1 . 2 . 3 . ]" 1
437 1 52 GLU HA 1 54 LYS H 4.660 . 4.660 4.325 3.877 4.668 0.009 11 0 "[ . 1 . 2 . 3 . ]" 1
438 1 53 ARG H 1 53 ARG HB3 3.349 . 3.349 2.477 2.196 3.878 0.528 30 1 "[ . 1 . 2 . + . ]" 1
439 1 53 ARG H 1 53 ARG QD 3.382 . 4.382 3.711 3.249 4.099 . 0 0 "[ . 1 . 2 . 3 . ]" 1
440 1 53 ARG H 1 53 ARG QG 3.743 . 4.743 2.488 2.051 4.248 . 0 0 "[ . 1 . 2 . 3 . ]" 1
441 1 53 ARG H 1 54 LYS H 3.106 . 3.106 2.812 2.545 3.293 0.188 31 0 "[ . 1 . 2 . 3 . ]" 1
442 1 53 ARG HA 1 54 LYS H 3.787 . 3.787 3.487 3.303 3.555 . 0 0 "[ . 1 . 2 . 3 . ]" 1
443 1 53 ARG HA 1 55 ALA H 5.022 . 5.022 4.001 3.627 4.812 . 0 0 "[ . 1 . 2 . 3 . ]" 1
444 1 53 ARG QG 1 54 LYS H 3.317 . 4.317 2.527 2.071 4.105 . 0 0 "[ . 1 . 2 . 3 . ]" 1
445 1 53 ARG QG 1 55 ALA H 4.306 . 5.306 4.411 3.192 4.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1
446 1 54 LYS H 1 54 LYS HG2 4.159 . 4.159 2.781 1.901 4.197 0.038 32 0 "[ . 1 . 2 . 3 . ]" 1
447 1 54 LYS H 1 54 LYS HG3 3.210 . 3.210 2.747 2.026 3.681 0.471 18 0 "[ . 1 . 2 . 3 . ]" 1
448 1 54 LYS HA 1 55 ALA H 4.559 . 4.559 3.316 2.285 3.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1
449 1 54 LYS HA 1 57 MET HB3 4.189 . 4.189 3.157 2.185 4.995 0.806 32 2 "[ . 1 . 2- . 3 + . ]" 1
450 1 54 LYS HA 1 58 THR H 4.592 . 4.592 4.106 3.707 4.695 0.102 32 0 "[ . 1 . 2 . 3 . ]" 1
451 1 54 LYS HG2 1 55 ALA H 3.773 . 5.000 4.635 3.645 5.096 0.096 13 0 "[ . 1 . 2 . 3 . ]" 1
452 1 54 LYS HG3 1 55 ALA H 3.468 . 4.500 4.649 2.984 5.138 0.638 28 12 "[*** . *1 . * *2 - . + * . ***]" 1
453 1 55 ALA H 1 56 MET H 4.148 . 4.148 3.065 2.492 3.720 . 0 0 "[ . 1 . 2 . 3 . ]" 1
454 1 55 ALA HA 1 56 MET H 5.086 . 5.086 3.596 3.559 3.624 . 0 0 "[ . 1 . 2 . 3 . ]" 1
455 1 55 ALA HA 1 58 THR H 3.260 . 3.500 3.515 3.233 3.578 0.078 39 0 "[ . 1 . 2 . 3 . ]" 1
456 1 55 ALA MB 1 56 MET H 4.393 . 5.393 2.487 2.173 2.824 . 0 0 "[ . 1 . 2 . 3 . ]" 1
457 1 55 ALA MB 1 59 ASN H 5.952 . 6.952 4.594 4.335 5.581 . 0 0 "[ . 1 . 2 . 3 . ]" 1
458 1 56 MET H 1 56 MET HB2 3.724 . 3.750 2.545 2.317 3.574 . 0 0 "[ . 1 . 2 . 3 . ]" 1
459 1 56 MET H 1 56 MET HB3 3.499 . 3.499 3.079 2.404 3.613 0.113 32 0 "[ . 1 . 2 . 3 . ]" 1
460 1 56 MET H 1 57 MET H 3.362 . 3.362 2.732 2.519 2.893 . 0 0 "[ . 1 . 2 . 3 . ]" 1
461 1 57 MET H 1 57 MET HB2 3.265 . 3.265 2.454 1.895 2.746 . 0 0 "[ . 1 . 2 . 3 . ]" 1
462 1 57 MET H 1 57 MET HB3 2.941 . 2.941 2.526 2.268 3.422 0.481 21 0 "[ . 1 . 2 . 3 . ]" 1
463 1 57 MET H 1 58 THR H 3.118 . 3.118 2.720 2.511 2.943 . 0 0 "[ . 1 . 2 . 3 . ]" 1
464 1 57 MET H 1 60 ALA H 4.616 . 4.616 4.643 4.559 4.738 0.122 35 0 "[ . 1 . 2 . 3 . ]" 1
465 1 57 MET HA 1 58 THR H 3.308 . 3.808 3.591 3.533 3.647 . 0 0 "[ . 1 . 2 . 3 . ]" 1
466 1 57 MET HA 1 60 ALA H 3.922 . 3.922 3.359 3.007 3.635 . 0 0 "[ . 1 . 2 . 3 . ]" 1
467 1 57 MET HA 1 60 ALA MB 7.520 . 8.520 2.429 2.076 2.777 . 0 0 "[ . 1 . 2 . 3 . ]" 1
468 1 57 MET HB3 1 58 THR H 3.744 . 3.744 2.560 2.362 3.323 . 0 0 "[ . 1 . 2 . 3 . ]" 1
469 1 58 THR H 1 58 THR HB 3.043 . 3.043 2.552 2.229 2.919 . 0 0 "[ . 1 . 2 . 3 . ]" 1
470 1 58 THR H 1 58 THR MG 4.331 . 5.331 3.733 3.591 3.802 . 0 0 "[ . 1 . 2 . 3 . ]" 1
471 1 58 THR H 1 59 ASN H 3.599 . 3.599 2.984 2.797 3.131 . 0 0 "[ . 1 . 2 . 3 . ]" 1
472 1 58 THR H 1 60 ALA H 4.910 . 4.910 4.159 3.967 4.342 . 0 0 "[ . 1 . 2 . 3 . ]" 1
473 1 58 THR HA 1 59 ASN H 4.105 . 4.105 3.631 3.583 3.664 . 0 0 "[ . 1 . 2 . 3 . ]" 1
474 1 58 THR HA 1 61 VAL MG1 8.395 . 9.395 3.513 2.128 5.690 . 0 0 "[ . 1 . 2 . 3 . ]" 1
475 1 58 THR HB 1 59 ASN H 3.446 . 3.446 2.516 2.286 3.049 . 0 0 "[ . 1 . 2 . 3 . ]" 1
476 1 58 THR MG 1 59 ASN H 4.775 . 5.775 3.297 2.644 3.734 . 0 0 "[ . 1 . 2 . 3 . ]" 1
477 1 58 THR MG 1 62 LYS H 6.499 . 7.499 4.441 3.973 6.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1
478 1 59 ASN H 1 60 ALA H 3.514 . 3.514 2.713 2.222 2.855 . 0 0 "[ . 1 . 2 . 3 . ]" 1
479 1 59 ASN H 1 60 ALA MB 5.684 . 6.684 4.410 3.942 4.536 . 0 0 "[ . 1 . 2 . 3 . ]" 1
480 1 59 ASN HA 1 60 ALA H 4.427 . 4.427 3.562 2.854 3.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
481 1 59 ASN HA 1 62 LYS H 3.983 . 3.983 3.380 2.531 3.760 . 0 0 "[ . 1 . 2 . 3 . ]" 1
482 1 59 ASN HA 1 62 LYS QE 5.070 . 6.070 4.266 2.338 5.446 . 0 0 "[ . 1 . 2 . 3 . ]" 1
483 1 59 ASN QB 1 60 ALA H 4.171 . 5.171 2.772 2.530 3.826 . 0 0 "[ . 1 . 2 . 3 . ]" 1
484 1 59 ASN HD21 1 60 ALA H 4.313 . 4.313 4.236 3.975 4.431 0.118 36 0 "[ . 1 . 2 . 3 . ]" 1
485 1 59 ASN HD21 1 63 LYS HA 4.922 . 5.000 5.106 5.056 5.221 0.221 35 0 "[ . 1 . 2 . 3 . ]" 1
486 1 60 ALA H 1 61 VAL H 3.714 . 3.714 2.839 2.219 3.081 . 0 0 "[ . 1 . 2 . 3 . ]" 1
487 1 60 ALA H 1 61 VAL MG1 4.264 . 5.264 4.415 3.517 6.150 0.886 12 1 "[ . 1 + . 2 . 3 . ]" 1
488 1 60 ALA H 1 61 VAL MG2 6.482 . 7.482 5.034 3.380 6.176 . 0 0 "[ . 1 . 2 . 3 . ]" 1
489 1 60 ALA H 1 62 LYS H 4.640 . 4.640 3.997 3.781 4.432 . 0 0 "[ . 1 . 2 . 3 . ]" 1
490 1 60 ALA HA 1 61 VAL H 3.696 . 3.696 3.616 3.522 3.653 . 0 0 "[ . 1 . 2 . 3 . ]" 1
491 1 60 ALA MB 1 61 VAL H 4.645 . 5.645 2.380 2.258 2.531 . 0 0 "[ . 1 . 2 . 3 . ]" 1
492 1 60 ALA MB 1 61 VAL MG2 5.438 . 7.438 4.190 3.018 4.837 . 0 0 "[ . 1 . 2 . 3 . ]" 1
493 1 61 VAL H 1 61 VAL HB 3.800 . 3.800 3.119 2.398 3.687 . 0 0 "[ . 1 . 2 . 3 . ]" 1
494 1 61 VAL H 1 61 VAL MG1 3.636 . 4.636 2.312 1.998 3.791 . 0 0 "[ . 1 . 2 . 3 . ]" 1
495 1 61 VAL H 1 61 VAL MG2 4.313 . 5.313 2.923 1.928 3.837 . 0 0 "[ . 1 . 2 . 3 . ]" 1
496 1 61 VAL H 1 62 LYS H 2.987 . 2.987 2.708 2.502 3.046 0.059 35 0 "[ . 1 . 2 . 3 . ]" 1
497 1 61 VAL HA 1 61 VAL MG2 3.391 . 4.391 2.788 2.221 3.267 . 0 0 "[ . 1 . 2 . 3 . ]" 1
498 1 61 VAL HA 1 62 LYS H 3.829 . 3.829 3.518 2.618 3.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1
499 1 61 VAL HA 1 64 ALA H 4.079 . 4.079 3.523 3.084 4.263 0.185 36 0 "[ . 1 . 2 . 3 . ]" 1
500 1 61 VAL HA 1 69 LEU MD2 6.178 . 7.178 4.014 3.088 5.511 . 0 0 "[ . 1 . 2 . 3 . ]" 1
501 1 61 VAL HB 1 69 LEU MD2 5.938 . 6.938 3.597 2.093 5.791 . 0 0 "[ . 1 . 2 . 3 . ]" 1
502 1 61 VAL MG1 1 62 LYS H 4.550 . 5.550 3.466 2.321 4.393 . 0 0 "[ . 1 . 2 . 3 . ]" 1
503 1 61 VAL MG1 1 62 LYS HA 5.249 . 6.249 4.613 3.298 5.969 . 0 0 "[ . 1 . 2 . 3 . ]" 1
504 1 61 VAL MG1 1 69 LEU MD2 8.306 . 10.306 3.522 1.990 4.662 . 0 0 "[ . 1 . 2 . 3 . ]" 1
505 1 61 VAL MG2 1 62 LYS H 5.794 . 6.794 3.248 2.348 4.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1
506 1 61 VAL MG2 1 69 LEU MD2 5.418 . 7.418 2.921 1.871 4.120 . 0 0 "[ . 1 . 2 . 3 . ]" 1
507 1 62 LYS H 1 62 LYS HB2 3.324 . 3.324 2.453 2.201 3.494 0.170 28 0 "[ . 1 . 2 . 3 . ]" 1
508 1 62 LYS H 1 62 LYS QD 5.042 . 6.042 4.445 3.694 4.875 . 0 0 "[ . 1 . 2 . 3 . ]" 1
509 1 62 LYS H 1 63 LYS H 3.584 . 3.584 2.927 2.685 3.708 0.123 36 0 "[ . 1 . 2 . 3 . ]" 1
510 1 62 LYS H 1 63 LYS QD 4.055 . 5.055 4.455 3.824 4.644 . 0 0 "[ . 1 . 2 . 3 . ]" 1
511 1 62 LYS HA 1 63 LYS H 3.665 . 3.665 3.480 2.079 3.617 . 0 0 "[ . 1 . 2 . 3 . ]" 1
512 1 62 LYS HA 1 64 ALA H 4.604 . 4.604 3.769 3.491 4.659 0.054 35 0 "[ . 1 . 2 . 3 . ]" 1
513 1 62 LYS HB2 1 63 LYS H 4.260 . 4.260 4.178 3.700 4.475 0.215 36 0 "[ . 1 . 2 . 3 . ]" 1
514 1 62 LYS QG 1 63 LYS QD 3.690 . 4.690 3.286 2.570 3.669 . 0 0 "[ . 1 . 2 . 3 . ]" 1
515 1 63 LYS H 1 63 LYS HB2 3.110 . 3.110 2.408 1.994 3.934 0.824 35 1 "[ . 1 . 2 . 3 + ]" 1
516 1 63 LYS H 1 63 LYS HB3 3.335 . 4.000 3.456 3.172 4.003 0.003 36 0 "[ . 1 . 2 . 3 . ]" 1
517 1 63 LYS H 1 63 LYS QD 4.480 . 5.480 2.657 1.948 2.949 . 0 0 "[ . 1 . 2 . 3 . ]" 1
518 1 63 LYS H 1 64 ALA H 3.074 . 3.074 2.665 2.413 3.047 . 0 0 "[ . 1 . 2 . 3 . ]" 1
519 1 63 LYS HA 1 64 ALA H 3.674 . 3.674 3.427 2.872 3.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1
520 1 63 LYS HB2 1 63 LYS QD 3.139 . 4.139 2.887 2.343 3.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1
521 1 64 ALA H 1 65 SER H 4.522 . 4.522 4.517 4.242 4.612 0.090 34 0 "[ . 1 . 2 . 3 . ]" 1
522 1 64 ALA H 1 69 LEU MD2 5.676 . 6.676 3.830 3.384 4.606 . 0 0 "[ . 1 . 2 . 3 . ]" 1
523 1 64 ALA HA 1 65 SER H 2.552 . 2.552 2.329 2.159 2.710 0.157 10 0 "[ . 1 . 2 . 3 . ]" 1
524 1 64 ALA HA 1 68 GLU QG 3.054 . 3.054 3.030 2.723 3.130 0.076 6 0 "[ . 1 . 2 . 3 . ]" 1
525 1 64 ALA MB 1 65 SER H 3.744 . 4.744 2.783 1.982 3.440 . 0 0 "[ . 1 . 2 . 3 . ]" 1
526 1 64 ALA MB 1 68 GLU H 6.526 . 7.526 4.293 4.022 4.622 . 0 0 "[ . 1 . 2 . 3 . ]" 1
527 1 64 ALA MB 1 68 GLU HB3 5.509 . 6.509 2.455 2.131 3.063 . 0 0 "[ . 1 . 2 . 3 . ]" 1
528 1 64 ALA MB 1 69 LEU H 4.244 . 5.244 3.271 2.766 3.805 . 0 0 "[ . 1 . 2 . 3 . ]" 1
529 1 64 ALA MB 1 69 LEU MD1 4.889 . 6.889 3.629 3.069 4.003 . 0 0 "[ . 1 . 2 . 3 . ]" 1
530 1 64 ALA MB 1 69 LEU MD2 4.062 . 6.062 2.123 1.925 2.740 . 0 0 "[ . 1 . 2 . 3 . ]" 1
531 1 64 ALA MB 1 69 LEU HG 4.832 . 5.832 2.824 2.121 4.029 . 0 0 "[ . 1 . 2 . 3 . ]" 1
532 1 65 SER H 1 65 SER QB . . 3.328 2.681 2.348 3.044 . 0 0 "[ . 1 . 2 . 3 . ]" 1
533 1 65 SER H 1 68 GLU H 4.013 . 4.013 3.570 3.319 4.035 0.022 30 0 "[ . 1 . 2 . 3 . ]" 1
534 1 65 SER H 1 68 GLU HB2 3.510 . 3.510 2.293 1.935 2.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1
535 1 65 SER H 1 68 GLU HB3 3.050 . 3.500 3.567 3.514 3.618 0.118 38 0 "[ . 1 . 2 . 3 . ]" 1
536 1 65 SER H 1 68 GLU QG 4.171 . 4.171 2.541 1.975 3.428 . 0 0 "[ . 1 . 2 . 3 . ]" 1
537 1 65 SER H 1 69 LEU H 4.440 . 4.440 3.984 3.158 4.459 0.019 30 0 "[ . 1 . 2 . 3 . ]" 1
538 1 65 SER HA 1 66 ASP H 3.421 . 3.421 2.688 2.341 3.538 0.117 23 0 "[ . 1 . 2 . 3 . ]" 1
539 1 65 SER QB 1 66 ASP H 3.943 . 3.943 2.600 2.164 3.387 . 0 0 "[ . 1 . 2 . 3 . ]" 1
540 1 65 SER QB 1 67 GLU H 4.129 . 4.129 3.394 2.902 3.999 . 0 0 "[ . 1 . 2 . 3 . ]" 1
541 1 66 ASP H 1 67 GLU H 3.942 . 3.942 2.969 2.155 3.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1
542 1 66 ASP HA 1 67 GLU H 3.696 . 3.696 3.603 3.545 3.684 . 0 0 "[ . 1 . 2 . 3 . ]" 1
543 1 66 ASP HA 1 68 GLU H 4.537 . 4.537 4.476 4.291 4.592 0.054 6 0 "[ . 1 . 2 . 3 . ]" 1
544 1 66 ASP HA 1 69 LEU H 3.403 . 3.403 3.353 3.026 3.476 0.073 35 0 "[ . 1 . 2 . 3 . ]" 1
545 1 66 ASP HA 1 69 LEU MD1 4.021 . 5.021 2.380 2.130 3.453 . 0 0 "[ . 1 . 2 . 3 . ]" 1
546 1 66 ASP HA 1 69 LEU HG 6.048 . 6.048 3.211 2.262 3.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1
547 1 66 ASP HA 1 70 LYS H 4.205 . 4.205 3.824 3.566 4.072 . 0 0 "[ . 1 . 2 . 3 . ]" 1
548 1 66 ASP QB 1 67 GLU H 3.608 . 4.608 2.813 2.197 3.520 . 0 0 "[ . 1 . 2 . 3 . ]" 1
549 1 66 ASP QB 1 68 GLU H 4.973 . 5.973 4.909 4.405 5.261 . 0 0 "[ . 1 . 2 . 3 . ]" 1
550 1 67 GLU H 1 67 GLU QB 2.780 . 3.106 2.320 2.181 2.702 . 0 0 "[ . 1 . 2 . 3 . ]" 1
551 1 67 GLU H 1 67 GLU HG2 3.240 . 5.000 3.879 1.977 4.624 . 0 0 "[ . 1 . 2 . 3 . ]" 1
552 1 67 GLU H 1 67 GLU HG3 5.291 . 5.291 3.830 2.117 4.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
553 1 67 GLU HA 1 68 GLU H 3.463 . 3.463 3.540 3.470 3.581 0.118 20 0 "[ . 1 . 2 . 3 . ]" 1
554 1 67 GLU HA 1 70 LYS H 3.983 . 3.983 3.812 3.535 3.996 0.013 31 0 "[ . 1 . 2 . 3 . ]" 1
555 1 67 GLU HA 1 71 ALA H 4.435 . 4.435 4.067 3.864 4.292 . 0 0 "[ . 1 . 2 . 3 . ]" 1
556 1 67 GLU QB 1 68 GLU H 3.245 . 3.245 2.387 2.189 2.628 . 0 0 "[ . 1 . 2 . 3 . ]" 1
557 1 67 GLU QB 1 68 GLU QG 3.224 . 3.224 3.066 2.474 3.206 . 0 0 "[ . 1 . 2 . 3 . ]" 1
558 1 68 GLU H 1 68 GLU HB2 3.149 . 3.750 2.409 2.162 2.724 . 0 0 "[ . 1 . 2 . 3 . ]" 1
559 1 68 GLU H 1 68 GLU HB3 2.946 . 3.100 3.439 3.285 3.595 0.495 8 0 "[ . 1 . 2 . 3 . ]" 1
560 1 68 GLU H 1 68 GLU QG 3.050 . 3.500 2.263 1.967 2.724 . 0 0 "[ . 1 . 2 . 3 . ]" 1
561 1 68 GLU H 1 69 LEU H 2.875 . 2.875 2.708 2.483 2.902 0.027 19 0 "[ . 1 . 2 . 3 . ]" 1
562 1 68 GLU H 1 70 LYS H 4.404 . 4.404 4.305 4.159 4.446 0.042 1 0 "[ . 1 . 2 . 3 . ]" 1
563 1 68 GLU HA 1 68 GLU QG . . 3.479 2.870 2.208 3.268 . 0 0 "[ . 1 . 2 . 3 . ]" 1
564 1 68 GLU HA 1 69 LEU H 4.036 . 4.036 3.626 3.557 3.699 . 0 0 "[ . 1 . 2 . 3 . ]" 1
565 1 68 GLU HA 1 72 LEU H 4.867 . 4.867 4.038 3.813 4.243 . 0 0 "[ . 1 . 2 . 3 . ]" 1
566 1 68 GLU HB2 1 69 LEU H 4.090 . 4.090 2.418 2.177 2.705 . 0 0 "[ . 1 . 2 . 3 . ]" 1
567 1 68 GLU HB3 1 69 LEU H 3.299 . 3.299 3.528 3.310 3.951 0.652 25 3 "[ . -1 * . 2 + 3 . ]" 1
568 1 69 LEU H 1 69 LEU HB2 3.028 . 3.100 2.463 2.152 2.753 . 0 0 "[ . 1 . 2 . 3 . ]" 1
569 1 69 LEU H 1 69 LEU HB3 3.220 . 3.750 3.547 3.356 3.683 . 0 0 "[ . 1 . 2 . 3 . ]" 1
570 1 69 LEU H 1 69 LEU MD1 4.858 . 5.858 3.578 3.248 4.111 . 0 0 "[ . 1 . 2 . 3 . ]" 1
571 1 69 LEU H 1 69 LEU MD2 5.234 . 6.234 3.294 2.345 3.743 . 0 0 "[ . 1 . 2 . 3 . ]" 1
572 1 69 LEU H 1 69 LEU HG 2.742 . 2.742 2.294 2.014 2.788 0.046 24 0 "[ . 1 . 2 . 3 . ]" 1
573 1 69 LEU H 1 70 LYS H 3.288 . 3.288 2.860 2.690 2.979 . 0 0 "[ . 1 . 2 . 3 . ]" 1
574 1 69 LEU H 1 70 LYS HA 4.932 . 5.500 5.460 5.317 5.553 0.053 27 0 "[ . 1 . 2 . 3 . ]" 1
575 1 69 LEU H 1 71 ALA H 4.640 . 4.640 4.246 4.051 4.454 . 0 0 "[ . 1 . 2 . 3 . ]" 1
576 1 69 LEU H 1 72 LEU QD 5.984 . 6.984 4.634 3.742 5.241 . 0 0 "[ . 1 . 2 . 3 . ]" 1
577 1 69 LEU HA 1 69 LEU MD2 3.343 . 4.343 2.195 2.103 2.293 . 0 0 "[ . 1 . 2 . 3 . ]" 1
578 1 69 LEU HA 1 70 LYS H 3.608 . 3.608 3.605 3.569 3.646 0.038 4 0 "[ . 1 . 2 . 3 . ]" 1
579 1 69 LEU HA 1 72 LEU QB 3.475 . 3.475 2.613 2.291 3.092 . 0 0 "[ . 1 . 2 . 3 . ]" 1
580 1 69 LEU HA 1 72 LEU QD 3.427 . 4.427 3.080 2.457 3.506 . 0 0 "[ . 1 . 2 . 3 . ]" 1
581 1 69 LEU MD1 1 70 LYS H 6.311 . 7.311 4.396 4.203 4.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1
582 1 69 LEU MD2 1 70 LYS H 5.588 . 6.588 4.712 4.414 4.868 . 0 0 "[ . 1 . 2 . 3 . ]" 1
583 1 70 LYS H 1 70 LYS QD 4.660 . 5.660 4.028 3.237 4.719 . 0 0 "[ . 1 . 2 . 3 . ]" 1
584 1 70 LYS H 1 70 LYS QE 3.778 . 4.778 3.901 3.304 4.322 . 0 0 "[ . 1 . 2 . 3 . ]" 1
585 1 70 LYS H 1 70 LYS HG2 3.955 . 4.200 3.532 2.461 4.320 0.120 28 0 "[ . 1 . 2 . 3 . ]" 1
586 1 70 LYS H 1 70 LYS HG3 3.028 . 4.000 2.426 2.140 4.064 0.064 28 0 "[ . 1 . 2 . 3 . ]" 1
587 1 70 LYS H 1 71 ALA H 3.071 . 3.071 2.738 2.692 2.781 . 0 0 "[ . 1 . 2 . 3 . ]" 1
588 1 70 LYS H 1 71 ALA MB 4.334 . 5.334 4.372 4.336 4.403 . 0 0 "[ . 1 . 2 . 3 . ]" 1
589 1 70 LYS HA 1 70 LYS HG2 3.450 . 3.450 2.506 2.365 2.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1
590 1 70 LYS HA 1 71 ALA H 3.838 . 3.838 3.594 3.573 3.616 . 0 0 "[ . 1 . 2 . 3 . ]" 1
591 1 70 LYS HA 1 72 LEU H 4.355 . 4.355 4.358 4.157 4.422 0.067 18 0 "[ . 1 . 2 . 3 . ]" 1
592 1 70 LYS HA 1 73 ALA MB 3.884 . 4.884 2.785 2.496 3.050 . 0 0 "[ . 1 . 2 . 3 . ]" 1
593 1 70 LYS HA 1 74 ASP H 4.142 . 4.142 4.005 3.841 4.161 0.018 1 0 "[ . 1 . 2 . 3 . ]" 1
594 1 70 LYS QB 1 71 ALA H 3.355 . 4.355 2.436 2.200 2.639 . 0 0 "[ . 1 . 2 . 3 . ]" 1
595 1 71 ALA H 1 72 LEU H 3.077 . 3.077 2.824 2.681 3.021 . 0 0 "[ . 1 . 2 . 3 . ]" 1
596 1 71 ALA HA 1 72 LEU H 3.601 . 3.601 3.609 3.557 3.664 0.063 25 0 "[ . 1 . 2 . 3 . ]" 1
597 1 71 ALA HA 1 73 ALA H 4.175 . 5.000 4.580 4.419 4.738 . 0 0 "[ . 1 . 2 . 3 . ]" 1
598 1 71 ALA HA 1 74 ASP H 3.184 . 3.184 3.262 3.219 3.295 0.111 12 0 "[ . 1 . 2 . 3 . ]" 1
599 1 71 ALA HA 1 74 ASP QB 3.548 . 4.548 2.288 2.188 2.459 . 0 0 "[ . 1 . 2 . 3 . ]" 1
600 1 71 ALA HA 1 75 TYR H 4.110 . 4.110 3.690 3.509 3.944 . 0 0 "[ . 1 . 2 . 3 . ]" 1
601 1 71 ALA MB 1 72 LEU H 3.434 . 4.434 2.848 2.686 3.012 . 0 0 "[ . 1 . 2 . 3 . ]" 1
602 1 72 LEU H 1 72 LEU QB 2.813 . 2.813 2.024 1.864 2.152 . 0 0 "[ . 1 . 2 . 3 . ]" 1
603 1 72 LEU H 1 72 LEU QD 4.763 . 5.309 3.448 2.532 3.677 . 0 0 "[ . 1 . 2 . 3 . ]" 1
604 1 72 LEU H 1 72 LEU HG 2.972 . 5.000 4.030 2.856 4.639 . 0 0 "[ . 1 . 2 . 3 . ]" 1
605 1 72 LEU H 1 73 ALA H 3.504 . 3.504 2.546 2.396 2.732 . 0 0 "[ . 1 . 2 . 3 . ]" 1
606 1 72 LEU H 1 73 ALA MB 5.437 . 6.437 4.149 4.008 4.328 . 0 0 "[ . 1 . 2 . 3 . ]" 1
607 1 72 LEU H 1 74 ASP H 4.981 . 4.981 4.097 3.881 4.338 . 0 0 "[ . 1 . 2 . 3 . ]" 1
608 1 72 LEU H 1 76 MET ME 5.856 . 6.856 5.116 4.491 5.713 . 0 0 "[ . 1 . 2 . 3 . ]" 1
609 1 72 LEU HA 1 72 LEU QD 3.080 . 4.080 2.120 1.990 2.333 . 0 0 "[ . 1 . 2 . 3 . ]" 1
610 1 72 LEU HA 1 72 LEU HG 3.676 . 3.676 3.003 2.404 3.679 0.003 2 0 "[ . 1 . 2 . 3 . ]" 1
611 1 72 LEU HA 1 73 ALA H 4.800 . 4.800 3.580 3.497 3.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1
612 1 72 LEU HA 1 75 TYR H 3.852 . 3.852 3.554 3.308 3.816 . 0 0 "[ . 1 . 2 . 3 . ]" 1
613 1 72 LEU HA 1 75 TYR HB2 3.943 . 3.943 3.555 3.196 3.954 0.011 2 0 "[ . 1 . 2 . 3 . ]" 1
614 1 72 LEU HA 1 75 TYR QD 5.321 . 7.321 4.307 3.251 4.755 . 0 0 "[ . 1 . 2 . 3 . ]" 1
615 1 72 LEU QB 1 73 ALA H 3.250 . 3.250 2.404 2.199 2.654 . 0 0 "[ . 1 . 2 . 3 . ]" 1
616 1 72 LEU QD 1 75 TYR QD 5.676 . 8.676 3.629 2.287 4.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
617 1 73 ALA H 1 74 ASP H 3.179 . 3.179 2.937 2.811 3.037 . 0 0 "[ . 1 . 2 . 3 . ]" 1
618 1 73 ALA H 1 74 ASP QB 4.817 . 5.817 4.657 4.492 4.959 . 0 0 "[ . 1 . 2 . 3 . ]" 1
619 1 73 ALA H 1 75 TYR H 5.486 . 5.486 4.407 4.240 4.606 . 0 0 "[ . 1 . 2 . 3 . ]" 1
620 1 73 ALA H 1 76 MET ME 5.611 . 6.611 4.028 3.336 5.270 . 0 0 "[ . 1 . 2 . 3 . ]" 1
621 1 73 ALA HA 1 74 ASP H 4.060 . 4.060 3.620 3.584 3.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
622 1 73 ALA HA 1 76 MET H 4.435 . 4.435 3.772 3.519 4.021 . 0 0 "[ . 1 . 2 . 3 . ]" 1
623 1 73 ALA HA 1 77 SER H 4.604 . 4.604 4.051 3.768 4.272 . 0 0 "[ . 1 . 2 . 3 . ]" 1
624 1 73 ALA MB 1 74 ASP H 3.644 . 4.644 2.337 2.191 2.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1
625 1 73 ALA MB 1 75 TYR H 5.038 . 6.038 4.623 4.506 4.768 . 0 0 "[ . 1 . 2 . 3 . ]" 1
626 1 74 ASP H 1 75 TYR H 4.427 . 4.427 2.968 2.874 3.174 . 0 0 "[ . 1 . 2 . 3 . ]" 1
627 1 74 ASP H 1 76 MET H 5.329 . 5.329 4.644 4.408 4.818 . 0 0 "[ . 1 . 2 . 3 . ]" 1
628 1 74 ASP HA 1 75 TYR H 4.316 . 4.316 3.618 3.586 3.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1
629 1 74 ASP QB 1 75 TYR H 3.295 . 4.295 2.451 2.364 2.603 . 0 0 "[ . 1 . 2 . 3 . ]" 1
630 1 75 TYR H 1 75 TYR HB2 2.981 . 2.981 2.413 2.262 2.641 . 0 0 "[ . 1 . 2 . 3 . ]" 1
631 1 75 TYR H 1 75 TYR HB3 2.970 . 3.100 2.522 2.295 2.722 . 0 0 "[ . 1 . 2 . 3 . ]" 1
632 1 75 TYR H 1 75 TYR QD 4.361 . 5.361 4.167 4.040 4.238 . 0 0 "[ . 1 . 2 . 3 . ]" 1
633 1 75 TYR H 1 76 MET H 3.265 . 3.265 2.968 2.793 3.144 . 0 0 "[ . 1 . 2 . 3 . ]" 1
634 1 75 TYR HA 1 75 TYR QD 3.548 . 5.548 2.847 2.275 3.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1
635 1 75 TYR HA 1 76 MET H 3.287 . 4.000 3.626 3.555 3.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1
636 1 75 TYR HB3 1 76 MET H 3.574 . 3.574 2.319 2.155 2.496 . 0 0 "[ . 1 . 2 . 3 . ]" 1
637 1 75 TYR QD 1 76 MET H 4.151 . 5.151 3.146 2.748 3.886 . 0 0 "[ . 1 . 2 . 3 . ]" 1
638 1 75 TYR QD 1 76 MET HA 4.837 . 6.837 3.349 2.747 4.319 . 0 0 "[ . 1 . 2 . 3 . ]" 1
639 1 75 TYR QD 1 76 MET HG3 5.118 . 8.118 2.856 2.203 5.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
640 1 75 TYR QD 1 79 LEU MD1 6.371 . 9.371 3.396 2.230 4.373 . 0 0 "[ . 1 . 2 . 3 . ]" 1
641 1 75 TYR QD 1 79 LEU MD2 5.377 . 8.377 3.740 2.356 5.649 . 0 0 "[ . 1 . 2 . 3 . ]" 1
642 1 75 TYR QE 1 79 LEU MD1 4.592 . 7.592 2.646 2.259 3.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1
643 1 75 TYR QE 1 79 LEU MD2 4.963 . 7.963 3.147 2.287 4.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1
644 1 76 MET H 1 76 MET HB2 3.022 . 3.100 2.251 1.989 2.602 . 0 0 "[ . 1 . 2 . 3 . ]" 1
645 1 76 MET H 1 76 MET HB3 3.468 . 3.750 3.464 3.305 3.641 . 0 0 "[ . 1 . 2 . 3 . ]" 1
646 1 76 MET H 1 76 MET ME 4.952 . 5.952 3.426 2.850 4.045 . 0 0 "[ . 1 . 2 . 3 . ]" 1
647 1 76 MET H 1 76 MET HG3 2.813 . 2.813 2.530 2.005 3.810 0.997 36 2 "[ . 1 . 2 - . 3 .+ ]" 1
648 1 76 MET H 1 77 SER H 3.362 . 3.362 2.783 2.605 2.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1
649 1 76 MET H 1 78 LYS H 5.156 . 5.156 4.277 4.155 4.631 . 0 0 "[ . 1 . 2 . 3 . ]" 1
650 1 76 MET H 1 79 LEU MD2 5.202 . 6.202 5.171 3.880 6.856 0.654 38 3 "[ * . 1 - . 2 . 3 . + ]" 1
651 1 76 MET HA 1 76 MET HG3 3.578 . 3.578 2.909 2.300 3.761 0.182 22 0 "[ . 1 . 2 . 3 . ]" 1
652 1 76 MET HA 1 77 SER H 3.920 . 3.920 3.545 3.471 3.615 . 0 0 "[ . 1 . 2 . 3 . ]" 1
653 1 76 MET HA 1 78 LYS H 4.400 . 4.400 3.496 3.295 3.813 . 0 0 "[ . 1 . 2 . 3 . ]" 1
654 1 76 MET HA 1 79 LEU H 4.396 . 4.396 4.282 3.504 4.436 0.040 10 0 "[ . 1 . 2 . 3 . ]" 1
655 1 76 MET HA 1 79 LEU HB2 2.898 . 3.500 2.648 2.209 3.552 0.052 38 0 "[ . 1 . 2 . 3 . ]" 1
656 1 76 MET HA 1 79 LEU MD1 5.166 . 6.166 3.178 2.129 4.397 . 0 0 "[ . 1 . 2 . 3 . ]" 1
657 1 76 MET HA 1 79 LEU MD2 3.499 . 4.499 3.221 2.028 4.754 0.255 2 0 "[ . 1 . 2 . 3 . ]" 1
658 1 76 MET HA 1 79 LEU HG 4.097 . 4.097 3.903 2.210 4.202 0.106 6 0 "[ . 1 . 2 . 3 . ]" 1
659 1 76 MET HB2 1 77 SER H 3.578 . 3.578 3.056 2.571 3.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1
660 1 76 MET HB3 1 77 SER H 3.842 . 3.842 3.744 3.523 3.911 0.069 14 0 "[ . 1 . 2 . 3 . ]" 1
661 1 76 MET ME 1 77 SER H 5.603 . 6.603 4.863 4.376 5.517 . 0 0 "[ . 1 . 2 . 3 . ]" 1
662 1 76 MET HG3 1 79 LEU MD2 6.527 . 7.527 4.666 2.373 7.326 . 0 0 "[ . 1 . 2 . 3 . ]" 1
663 1 77 SER H 1 77 SER HB2 3.080 . 3.080 2.510 2.311 3.466 0.385 4 0 "[ . 1 . 2 . 3 . ]" 1
664 1 77 SER H 1 77 SER HB3 3.282 . 3.282 2.810 2.229 3.486 0.204 27 0 "[ . 1 . 2 . 3 . ]" 1
665 1 77 SER H 1 78 LYS H 3.282 . 3.282 2.856 2.669 3.279 . 0 0 "[ . 1 . 2 . 3 . ]" 1
666 1 77 SER HA 1 78 LYS H 3.972 . 3.972 3.377 3.030 3.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1
667 1 78 LYS H 1 78 LYS HB2 2.867 . 2.867 2.818 2.407 3.263 0.396 2 0 "[ . 1 . 2 . 3 . ]" 1
668 1 78 LYS H 1 78 LYS HB3 3.739 . 3.750 3.373 2.567 3.823 0.073 16 0 "[ . 1 . 2 . 3 . ]" 1
669 1 78 LYS H 1 78 LYS QD 4.747 . 5.747 4.569 2.613 5.149 . 0 0 "[ . 1 . 2 . 3 . ]" 1
670 1 78 LYS H 1 78 LYS QG 4.756 . 5.756 3.431 2.261 4.203 . 0 0 "[ . 1 . 2 . 3 . ]" 1
671 1 78 LYS H 1 79 LEU H 4.685 . 4.685 2.669 2.013 3.103 . 0 0 "[ . 1 . 2 . 3 . ]" 1
672 1 78 LYS H 1 79 LEU HA 5.200 . 5.200 4.522 4.132 5.018 . 0 0 "[ . 1 . 2 . 3 . ]" 1
673 1 78 LYS H 1 79 LEU HB2 4.414 . 4.414 3.118 2.586 4.369 . 0 0 "[ . 1 . 2 . 3 . ]" 1
674 1 78 LYS H 1 79 LEU MD1 4.386 . 6.000 4.588 3.878 5.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1
675 1 78 LYS H 1 79 LEU MD2 4.510 . 5.510 4.732 4.404 5.184 . 0 0 "[ . 1 . 2 . 3 . ]" 1
676 1 78 LYS HA 1 78 LYS QG 3.328 . 4.328 2.503 2.347 3.172 . 0 0 "[ . 1 . 2 . 3 . ]" 1
677 1 78 LYS HA 1 79 LEU H 3.661 . 3.661 2.836 2.545 3.562 . 0 0 "[ . 1 . 2 . 3 . ]" 1
678 1 79 LEU H 1 79 LEU HB2 3.202 . 3.202 2.721 1.995 3.216 0.014 34 0 "[ . 1 . 2 . 3 . ]" 1
679 1 79 LEU H 1 79 LEU HB3 2.740 . 2.740 2.819 2.380 3.383 0.643 8 9 "[ . *+ * . * 2 * * -3* .* ]" 1
680 1 79 LEU H 1 79 LEU MD1 5.099 . 6.099 4.246 3.440 4.458 . 0 0 "[ . 1 . 2 . 3 . ]" 1
681 1 79 LEU H 1 79 LEU MD2 4.708 . 5.708 4.233 3.441 4.482 . 0 0 "[ . 1 . 2 . 3 . ]" 1
682 1 79 LEU H 1 79 LEU HG 3.649 . 4.000 3.957 2.363 4.345 0.345 19 0 "[ . 1 . 2 . 3 . ]" 1
683 1 79 LEU HA 1 79 LEU MD1 3.222 . 4.222 2.936 2.103 3.891 . 0 0 "[ . 1 . 2 . 3 . ]" 1
684 1 79 LEU HA 1 79 LEU HG 3.001 . 3.001 2.909 2.345 3.088 0.087 24 0 "[ . 1 . 2 . 3 . ]" 1
685 1 79 LEU HB2 1 79 LEU MD1 3.466 . 4.466 2.347 2.250 2.526 . 0 0 "[ . 1 . 2 . 3 . ]" 1
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