NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375202 |
1f04   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f04
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 1473
_Distance_constraint_stats_list.Viol_count 3697
_Distance_constraint_stats_list.Viol_total 13549.352
_Distance_constraint_stats_list.Viol_max 0.963
_Distance_constraint_stats_list.Viol_rms 0.0462
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.1047
_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 VAL 0.670 0.114 30 0 "[ . 1 . 2 . 3 .]"
1 3 LYS 14.947 0.622 24 7 "[ . * ** . 2 +.* -3 * .]"
1 4 TYR 14.014 0.577 26 5 "[ . * *1 . 2 .+ -3 * .]"
1 5 TYR 11.943 0.747 6 5 "[ .+** * . - 2 . 3 .]"
1 6 THR 6.168 0.561 25 1 "[ . 1 . 2 + 3 .]"
1 7 LEU 24.106 0.545 27 3 "[ . 1 . 2 - . + 3 *]"
1 8 GLU 7.175 0.140 9 0 "[ . 1 . 2 . 3 .]"
1 9 GLU 26.042 0.747 6 5 "[ .+ * * . - 2 * 3 .]"
1 10 ILE 4.329 0.183 6 0 "[ . 1 . 2 . 3 .]"
1 11 GLN 2.285 0.337 19 0 "[ . 1 . 2 . 3 .]"
1 12 LYS 1.048 0.337 19 0 "[ . 1 . 2 . 3 .]"
1 13 HIS 3.906 0.089 22 0 "[ . 1 . 2 . 3 .]"
1 14 ASN 2.094 0.089 2 0 "[ . 1 . 2 . 3 .]"
1 15 ASN 5.113 0.403 18 0 "[ . 1 . 2 . 3 .]"
1 17 LYS 8.172 0.404 16 0 "[ . 1 . 2 . 3 .]"
1 18 SER 1.315 0.180 6 0 "[ . 1 . 2 . 3 .]"
1 19 THR 1.382 0.542 9 1 "[ . +1 . 2 . 3 .]"
1 20 TRP 17.072 0.529 11 1 "[ . 1+ . 2 . 3 .]"
1 21 LEU 15.855 0.529 11 1 "[ . 1+ . 2 . 3 .]"
1 22 ILE 12.773 0.400 14 0 "[ . 1 . 2 . 3 .]"
1 23 LEU 3.442 0.276 31 0 "[ . 1 . 2 . 3 .]"
1 24 HIS 1.485 0.102 12 0 "[ . 1 . 2 . 3 .]"
1 25 TYR 0.627 0.087 8 0 "[ . 1 . 2 . 3 .]"
1 26 LYS 4.652 0.869 12 4 "[ . * + . 2 .* 3- .]"
1 27 VAL 17.371 0.401 26 0 "[ . 1 . 2 . 3 .]"
1 28 TYR 2.281 0.276 31 0 "[ . 1 . 2 . 3 .]"
1 29 ASP 3.515 0.859 1 2 "[+ . 1 .- 2 . 3 .]"
1 30 LEU 31.515 0.859 1 6 "[+ *. **1 .- 2* . 3 .]"
1 31 THR 1.604 0.083 34 0 "[ . 1 . 2 . 3 .]"
1 32 LYS 46.070 0.963 32 8 "[ * *.* 1 . 2 *-* * 3 + .]"
1 33 PHE 54.488 0.616 9 7 "[ *. *+1 . 2* * -* 3 .]"
1 34 LEU 8.796 0.325 23 0 "[ . 1 . 2 . 3 .]"
1 35 GLU 14.569 0.668 28 11 "[ .** -1 * **2 * + 3 ** *]"
1 36 GLU 20.822 0.668 28 13 "[ .** -1 * **2 * ** + 3 ** *]"
1 37 HIS 2.080 0.057 24 0 "[ . 1 . 2 . 3 .]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 40 GLY 0.564 0.118 4 0 "[ . 1 . 2 . 3 .]"
1 41 GLU 2.271 0.322 28 0 "[ . 1 . 2 . 3 .]"
1 42 ALA 0.692 0.322 28 0 "[ . 1 . 2 . 3 .]"
1 43 VAL 0.212 0.074 35 0 "[ . 1 . 2 . 3 .]"
1 44 LEU 1.141 0.095 3 0 "[ . 1 . 2 . 3 .]"
1 45 ARG 0.122 0.047 35 0 "[ . 1 . 2 . 3 .]"
1 46 ALA 0.229 0.034 22 0 "[ . 1 . 2 . 3 .]"
1 47 GLN 8.545 0.229 30 0 "[ . 1 . 2 . 3 .]"
1 48 ALA 1.358 0.082 22 0 "[ . 1 . 2 . 3 .]"
1 49 GLY 0.688 0.162 32 0 "[ . 1 . 2 . 3 .]"
1 50 GLY 7.059 0.922 35 6 "[ * * *. * - . 3 +]"
1 51 ASP 9.876 0.922 35 7 "[ * * *. * - * 3 +]"
1 52 ALA 1.800 0.263 13 0 "[ . 1 . 2 . 3 .]"
1 53 THR 0.550 0.058 21 0 "[ . 1 . 2 . 3 .]"
1 54 ALA 1.588 0.075 26 0 "[ . 1 . 2 . 3 .]"
1 55 ASN 1.384 0.263 13 0 "[ . 1 . 2 . 3 .]"
1 56 PHE 7.921 0.370 24 0 "[ . 1 . 2 . 3 .]"
1 57 GLU 17.779 0.475 31 0 "[ . 1 . 2 . 3 .]"
1 58 ALA 1.589 0.122 18 0 "[ . 1 . 2 . 3 .]"
1 59 VAL 0.098 0.053 11 0 "[ . 1 . 2 . 3 .]"
1 60 GLY 0.078 0.053 11 0 "[ . 1 . 2 . 3 .]"
1 61 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 62 SER 0.208 0.161 35 0 "[ . 1 . 2 . 3 .]"
1 63 THR 12.125 0.798 9 4 "[ * . +1 * - . 3 .]"
1 64 ASP 7.840 0.285 9 0 "[ . 1 . 2 . 3 .]"
1 65 ALA 7.010 0.228 23 0 "[ . 1 . 2 . 3 .]"
1 66 ARG 14.719 0.798 9 4 "[ * . +1 - * . 3 .]"
1 67 GLU 12.403 0.249 9 0 "[ . 1 . 2 . 3 .]"
1 68 LEU 4.250 0.225 29 0 "[ . 1 . 2 . 3 .]"
1 69 SER 4.790 0.370 34 0 "[ . 1 . 2 . 3 .]"
1 70 LYS 16.023 0.574 28 23 "[****** * 1* *.* **2** * *+*-*** *]"
1 71 THR 3.565 0.082 21 0 "[ . 1 . 2 . 3 .]"
1 72 PHE 16.537 0.963 32 4 "[ *. 1 . 2 *. - 3 + .]"
1 73 ILE 31.906 0.693 6 24 "[*****+ * -* *.* **2** * ******* *]"
1 74 ILE 0.976 0.085 18 0 "[ . 1 . 2 . 3 .]"
1 75 GLY 11.950 0.693 6 5 "[ * .+* -* . 2 . 3 .]"
1 76 GLU 3.410 0.216 13 0 "[ . 1 . 2 . 3 .]"
1 77 LEU 14.024 0.545 27 3 "[ . 1 . 2 - . + 3 *]"
1 78 HIS 4.847 0.348 21 0 "[ . 1 . 2 . 3 .]"
1 79 PRO 10.226 0.404 28 0 "[ . 1 . 2 . 3 .]"
1 80 ASP 2.787 0.348 21 0 "[ . 1 . 2 . 3 .]"
1 81 ASP 9.641 0.336 13 0 "[ . 1 . 2 . 3 .]"
1 82 ARG 16.243 0.404 28 0 "[ . 1 . 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 VAL HA 1 3 LYS H . . 2.500 2.281 2.123 2.614 0.114 30 0 "[ . 1 . 2 . 3 .]" 1
2 1 2 VAL HB 1 3 LYS H . . 4.100 3.872 2.054 4.187 0.087 33 0 "[ . 1 . 2 . 3 .]" 1
3 1 2 VAL HB 1 4 TYR CZ . . 6.600 5.296 2.737 6.366 . 0 0 "[ . 1 . 2 . 3 .]" 1
4 1 2 VAL QG 1 3 LYS H . . 4.500 2.479 2.063 3.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
5 1 2 VAL QG 1 4 TYR CG . . 7.600 3.753 3.073 4.530 . 0 0 "[ . 1 . 2 . 3 .]" 1
6 1 2 VAL QG 1 4 TYR CZ . . 6.700 3.075 2.496 3.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 2 VAL QG 1 4 TYR H . . 7.000 3.731 2.837 4.655 . 0 0 "[ . 1 . 2 . 3 .]" 1
8 1 2 VAL QG 1 4 TYR HA . . 6.000 3.977 2.900 5.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
9 1 2 VAL QG 1 75 GLY HA2 . . 6.000 2.905 2.077 4.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
10 1 2 VAL QG 1 76 GLU H . . 5.200 3.457 2.193 4.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 2 VAL QG 1 76 GLU HA . . 7.000 5.149 4.181 6.031 . 0 0 "[ . 1 . 2 . 3 .]" 1
12 1 2 VAL QG 1 76 GLU QB . . 5.400 3.261 2.483 4.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 3 LYS H 1 3 LYS HA . . 3.100 2.930 2.768 2.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
14 1 3 LYS H 1 3 LYS HG2 . . 4.800 4.507 2.602 5.147 0.347 21 0 "[ . 1 . 2 . 3 .]" 1
15 1 3 LYS H 1 3 LYS HG3 . . 5.200 4.612 4.106 4.972 . 0 0 "[ . 1 . 2 . 3 .]" 1
16 1 3 LYS H 1 75 GLY HA3 . . 4.300 3.609 2.612 4.606 0.306 15 0 "[ . 1 . 2 . 3 .]" 1
17 1 3 LYS H 1 76 GLU H . . 5.200 4.441 3.375 5.223 0.023 1 0 "[ . 1 . 2 . 3 .]" 1
18 1 3 LYS HA 1 3 LYS HG2 . . 4.400 3.134 2.531 3.797 . 0 0 "[ . 1 . 2 . 3 .]" 1
19 1 3 LYS HA 1 3 LYS HG3 . . 3.600 2.537 2.139 4.222 0.622 24 2 "[ . - . 2 +. 3 .]" 1
20 1 3 LYS HA 1 4 TYR H . . 2.500 2.238 2.092 2.520 0.020 21 0 "[ . 1 . 2 . 3 .]" 1
21 1 3 LYS HA 1 4 TYR HA . . 5.000 4.442 4.358 4.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
22 1 3 LYS HA 1 4 TYR HB2 . . 4.400 4.710 4.496 4.977 0.577 26 5 "[ . * *1 . 2 .+ -3 * .]" 1
23 1 3 LYS QB 1 4 TYR H . . 5.100 3.729 2.396 4.060 . 0 0 "[ . 1 . 2 . 3 .]" 1
24 1 3 LYS QB 1 5 TYR CG . . 9.000 5.308 4.416 5.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
25 1 3 LYS QB 1 5 TYR CZ . . 7.500 3.734 2.931 4.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
26 1 3 LYS HD2 1 5 TYR CZ . . 7.800 5.896 4.058 7.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
27 1 3 LYS HD3 1 5 TYR CZ . . 8.000 5.035 2.937 6.821 . 0 0 "[ . 1 . 2 . 3 .]" 1
28 1 3 LYS HG2 1 4 TYR H . . 4.600 3.659 2.154 4.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
29 1 3 LYS HG2 1 5 TYR CZ . . 6.800 4.403 3.070 5.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
30 1 3 LYS HG3 1 4 TYR H . . 4.200 3.552 2.062 4.446 0.246 9 0 "[ . 1 . 2 . 3 .]" 1
31 1 3 LYS HG3 1 5 TYR CZ . . 6.700 5.664 2.982 6.719 0.019 11 0 "[ . 1 . 2 . 3 .]" 1
32 1 4 TYR CG 1 76 GLU H . . 6.300 4.248 3.935 4.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 4 TYR CG 1 76 GLU QB . . 5.700 3.747 3.514 4.225 . 0 0 "[ . 1 . 2 . 3 .]" 1
34 1 4 TYR CG 1 78 HIS H . . 7.000 5.365 5.145 5.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
35 1 4 TYR CG 1 78 HIS HA . . 6.200 3.479 3.251 3.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
36 1 4 TYR CG 1 78 HIS HB2 . . 6.900 5.468 5.309 5.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
37 1 4 TYR CG 1 79 PRO QG . . 7.000 4.689 4.238 4.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 4 TYR CZ 1 4 TYR HA . . 6.200 5.209 4.976 5.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
39 1 4 TYR CZ 1 76 GLU QB . . 5.600 3.978 3.591 4.712 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 4 TYR CZ 1 76 GLU QG . . 8.300 5.793 5.340 6.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
41 1 4 TYR CZ 1 79 PRO QG . . 7.300 4.951 4.301 5.398 . 0 0 "[ . 1 . 2 . 3 .]" 1
42 1 4 TYR H 1 4 TYR HB2 . . 3.500 2.629 2.498 2.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
43 1 4 TYR H 1 4 TYR HB3 . . 3.600 3.597 3.504 3.692 0.092 10 0 "[ . 1 . 2 . 3 .]" 1
44 1 4 TYR H 1 76 GLU H . . 4.900 4.749 4.371 4.936 0.036 34 0 "[ . 1 . 2 . 3 .]" 1
45 1 4 TYR HA 1 4 TYR HB2 . . 3.100 3.025 2.994 3.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
46 1 4 TYR HA 1 4 TYR HB3 . . 3.100 2.348 2.252 2.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
47 1 4 TYR HA 1 5 TYR H . . 2.700 2.375 2.315 2.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
48 1 4 TYR HA 1 27 VAL MG2 . . 6.700 4.287 3.948 4.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 4 TYR HA 1 75 GLY HA2 . . 6.000 4.931 4.562 5.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
50 1 4 TYR HA 1 76 GLU H . . 3.500 2.419 2.017 2.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
51 1 4 TYR HA 1 76 GLU QB . . 4.400 3.765 3.279 3.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
52 1 4 TYR HA 1 78 HIS H . . 4.800 4.781 4.515 4.888 0.088 13 0 "[ . 1 . 2 . 3 .]" 1
53 1 4 TYR HA 1 78 HIS HA . . 4.500 4.409 4.229 4.511 0.011 20 0 "[ . 1 . 2 . 3 .]" 1
54 1 4 TYR HA 1 78 HIS HB2 . . 5.200 5.211 5.155 5.242 0.042 23 0 "[ . 1 . 2 . 3 .]" 1
55 1 4 TYR HB2 1 5 TYR H . . 3.700 3.652 3.511 3.731 0.031 9 0 "[ . 1 . 2 . 3 .]" 1
56 1 4 TYR HB2 1 5 TYR HA . . 5.100 4.637 4.466 4.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
57 1 4 TYR HB2 1 78 HIS H . . 4.800 4.454 4.101 4.841 0.041 9 0 "[ . 1 . 2 . 3 .]" 1
58 1 4 TYR HB2 1 78 HIS HA . . 3.900 2.560 2.169 3.091 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 4 TYR HB2 1 78 HIS HD2 . . 3.700 2.297 2.174 2.439 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 4 TYR HB3 1 5 TYR H . . 3.300 2.672 2.496 3.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 4 TYR HB3 1 78 HIS H . . 3.500 3.315 3.099 3.615 0.115 26 0 "[ . 1 . 2 . 3 .]" 1
62 1 4 TYR HB3 1 78 HIS HA . . 4.700 2.127 2.065 2.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
63 1 4 TYR HB3 1 78 HIS HD2 . . 3.600 3.376 2.892 3.618 0.018 11 0 "[ . 1 . 2 . 3 .]" 1
64 1 5 TYR CG 1 6 THR H . . 6.500 4.616 4.483 4.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
65 1 5 TYR CG 1 9 GLU HB3 . . 6.100 4.577 4.228 5.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
66 1 5 TYR CG 1 9 GLU QG . . 7.600 5.254 4.761 5.775 . 0 0 "[ . 1 . 2 . 3 .]" 1
67 1 5 TYR CG 1 10 ILE MG . . 6.900 5.668 5.536 5.840 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 5 TYR CG 1 20 TRP HH2 . . 6.600 4.313 4.085 4.715 . 0 0 "[ . 1 . 2 . 3 .]" 1
69 1 5 TYR CG 1 20 TRP HZ3 . . 5.900 2.975 2.766 3.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
70 1 5 TYR CG 1 27 VAL HB . . 6.500 4.618 4.415 4.897 . 0 0 "[ . 1 . 2 . 3 .]" 1
71 1 5 TYR CG 1 27 VAL MG1 . . 7.100 3.832 3.666 3.994 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 5 TYR CG 1 27 VAL MG2 . . 6.500 3.581 3.441 3.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
73 1 5 TYR CG 1 74 ILE MD . . 7.800 3.959 3.532 4.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 5 TYR CG 1 74 ILE HG12 . . 8.000 6.637 6.280 6.920 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 5 TYR CG 1 74 ILE HG13 . . 7.400 5.154 4.880 5.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
76 1 5 TYR CG 1 75 GLY HA2 . . 7.200 6.859 6.399 7.263 0.063 14 0 "[ . 1 . 2 . 3 .]" 1
77 1 5 TYR CG 1 75 GLY HA3 . . 6.800 5.105 4.654 5.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
78 1 5 TYR CG 1 76 GLU H . . 6.800 5.336 4.881 5.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 5 TYR CZ 1 5 TYR HA . . 6.400 5.176 5.064 5.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 5 TYR CZ 1 6 THR H . . 8.000 7.169 6.966 7.304 . 0 0 "[ . 1 . 2 . 3 .]" 1
81 1 5 TYR CZ 1 9 GLU HB3 . . 8.000 6.630 6.081 7.270 . 0 0 "[ . 1 . 2 . 3 .]" 1
82 1 5 TYR CZ 1 9 GLU QG . . 9.000 6.695 6.174 7.443 . 0 0 "[ . 1 . 2 . 3 .]" 1
83 1 5 TYR CZ 1 20 TRP HH2 . . 5.900 3.587 3.057 4.103 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 5 TYR CZ 1 20 TRP HZ3 . . 7.100 4.066 3.663 4.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 5 TYR CZ 1 27 VAL MG1 . . 7.600 4.872 4.580 5.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
86 1 5 TYR CZ 1 27 VAL MG2 . . 8.100 5.110 4.889 5.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 5 TYR CZ 1 74 ILE H . . 8.000 6.471 6.042 7.202 . 0 0 "[ . 1 . 2 . 3 .]" 1
88 1 5 TYR CZ 1 74 ILE HB . . 6.700 3.769 3.376 4.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 5 TYR CZ 1 74 ILE MD . . 6.600 3.518 2.871 3.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 5 TYR CZ 1 74 ILE HG12 . . 6.500 5.877 5.421 6.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 5 TYR CZ 1 74 ILE HG13 . . 6.700 4.470 4.044 5.115 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 5 TYR CZ 1 74 ILE MG . . 7.700 5.120 4.738 5.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
93 1 5 TYR CZ 1 75 GLY H . . 8.000 5.674 5.141 6.329 . 0 0 "[ . 1 . 2 . 3 .]" 1
94 1 5 TYR CZ 1 75 GLY HA2 . . 6.000 5.797 5.209 6.571 0.571 7 1 "[ . + 1 . 2 . 3 .]" 1
95 1 5 TYR CZ 1 75 GLY HA3 . . 6.900 4.169 3.535 4.912 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 5 TYR CZ 1 76 GLU H . . 6.900 5.488 5.013 6.280 . 0 0 "[ . 1 . 2 . 3 .]" 1
97 1 5 TYR H 1 5 TYR QB . . 3.300 2.668 2.450 2.733 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 5 TYR H 1 6 THR H . . 4.400 4.424 4.399 4.457 0.057 31 0 "[ . 1 . 2 . 3 .]" 1
99 1 5 TYR H 1 6 THR MG . . 6.900 5.144 5.052 5.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 5 TYR H 1 27 VAL MG1 . . 6.200 5.019 4.802 5.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
101 1 5 TYR H 1 27 VAL MG2 . . 5.300 3.235 3.060 3.390 . 0 0 "[ . 1 . 2 . 3 .]" 1
102 1 5 TYR H 1 76 GLU H . . 4.100 3.873 3.445 4.108 0.008 21 0 "[ . 1 . 2 . 3 .]" 1
103 1 5 TYR H 1 76 GLU QB . . 6.000 4.817 4.588 5.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 5 TYR H 1 77 LEU HA . . 4.000 3.210 2.934 3.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
105 1 5 TYR H 1 78 HIS H . . 4.000 3.048 2.879 3.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
106 1 5 TYR H 1 78 HIS HB2 . . 4.300 3.661 3.521 3.796 . 0 0 "[ . 1 . 2 . 3 .]" 1
107 1 5 TYR H 1 78 HIS HB3 . . 5.300 5.219 5.069 5.312 0.012 31 0 "[ . 1 . 2 . 3 .]" 1
108 1 5 TYR HA 1 6 THR H . . 2.600 2.213 2.135 2.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
109 1 5 TYR HA 1 6 THR MG . . 4.600 3.606 3.377 3.857 . 0 0 "[ . 1 . 2 . 3 .]" 1
110 1 5 TYR HA 1 9 GLU HB3 . . 3.900 4.152 3.768 4.647 0.747 6 4 "[ .+ * * . - 2 . 3 .]" 1
111 1 5 TYR HA 1 27 VAL MG2 . . 6.200 4.838 4.741 4.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
112 1 5 TYR QB 1 6 THR H . . 3.800 2.975 2.818 3.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 5 TYR QB 1 10 ILE H . . 3.600 3.520 3.380 3.629 0.029 12 0 "[ . 1 . 2 . 3 .]" 1
114 1 5 TYR QB 1 10 ILE MG . . 4.800 4.106 4.016 4.210 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 5 TYR QB 1 20 TRP HH2 . . 5.900 4.793 4.336 5.210 . 0 0 "[ . 1 . 2 . 3 .]" 1
116 1 5 TYR QB 1 20 TRP HZ3 . . 4.200 2.830 2.352 3.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
117 1 5 TYR QB 1 27 VAL MG1 . . 7.000 3.108 2.935 3.404 . 0 0 "[ . 1 . 2 . 3 .]" 1
118 1 5 TYR QB 1 27 VAL MG2 . . 5.000 2.294 2.145 2.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 6 THR H 1 6 THR MG . . 3.700 2.308 2.077 2.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 6 THR H 1 7 LEU H . . 4.900 4.644 4.564 4.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
121 1 6 THR H 1 9 GLU H . . 4.700 3.716 3.505 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
122 1 6 THR H 1 9 GLU HB3 . . 3.500 3.636 3.353 4.061 0.561 25 1 "[ . 1 . 2 + 3 .]" 1
123 1 6 THR H 1 9 GLU QG . . 6.100 3.794 3.055 4.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
124 1 6 THR H 1 77 LEU MD1 . . 7.000 5.392 4.997 5.685 . 0 0 "[ . 1 . 2 . 3 .]" 1
125 1 6 THR H 1 78 HIS HB2 . . 5.100 3.440 3.144 3.736 . 0 0 "[ . 1 . 2 . 3 .]" 1
126 1 6 THR H 1 78 HIS HB3 . . 5.400 4.679 4.360 4.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 6 THR HA 1 7 LEU H . . 2.900 2.357 2.265 2.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
128 1 6 THR HA 1 7 LEU HA . . 5.000 4.368 4.282 4.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 6 THR HA 1 77 LEU MD1 . . 5.500 3.544 3.139 3.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
130 1 6 THR HA 1 78 HIS H . . 4.200 3.157 2.943 3.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
131 1 6 THR HA 1 78 HIS HB2 . . 3.900 2.397 2.251 2.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 6 THR HA 1 78 HIS HB3 . . 4.000 2.562 2.358 2.778 . 0 0 "[ . 1 . 2 . 3 .]" 1
133 1 6 THR HB 1 7 LEU H . . 4.400 2.803 2.578 3.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 6 THR MG 1 7 LEU H . . 5.000 3.904 3.497 4.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 6 THR MG 1 8 GLU H . . 5.600 4.371 4.199 4.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 6 THR MG 1 9 GLU H . . 6.700 4.028 3.734 4.553 . 0 0 "[ . 1 . 2 . 3 .]" 1
137 1 6 THR MG 1 78 HIS H . . 5.500 4.330 4.039 4.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
138 1 6 THR MG 1 78 HIS HB2 . . 5.500 2.627 2.384 2.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 6 THR MG 1 78 HIS HB3 . . 5.600 2.705 2.243 3.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
140 1 6 THR MG 1 78 HIS HD2 . . 4.600 3.289 2.958 3.734 . 0 0 "[ . 1 . 2 . 3 .]" 1
141 1 7 LEU H 1 7 LEU HB2 . . 3.100 2.051 2.018 2.094 . 0 0 "[ . 1 . 2 . 3 .]" 1
142 1 7 LEU H 1 7 LEU HB3 . . 3.000 3.107 2.970 3.157 0.157 3 0 "[ . 1 . 2 . 3 .]" 1
143 1 7 LEU H 1 7 LEU MD1 . . 5.100 4.052 3.836 4.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 7 LEU H 1 7 LEU MD2 . . 5.500 4.280 4.204 4.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
145 1 7 LEU H 1 7 LEU HG . . 5.100 3.763 3.521 4.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 7 LEU H 1 8 GLU H . . 3.200 2.817 2.722 2.932 . 0 0 "[ . 1 . 2 . 3 .]" 1
147 1 7 LEU H 1 8 GLU HB2 . . 5.000 4.998 4.890 5.086 0.086 23 0 "[ . 1 . 2 . 3 .]" 1
148 1 7 LEU H 1 8 GLU HB3 . . 5.500 5.075 4.467 5.300 . 0 0 "[ . 1 . 2 . 3 .]" 1
149 1 7 LEU H 1 9 GLU H . . 5.600 4.721 4.528 5.090 . 0 0 "[ . 1 . 2 . 3 .]" 1
150 1 7 LEU H 1 77 LEU MD1 . . 4.400 3.234 2.947 3.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
151 1 7 LEU H 1 78 HIS H . . 5.100 4.673 4.441 4.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
152 1 7 LEU H 1 78 HIS HB2 . . 5.000 4.626 4.390 4.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
153 1 7 LEU H 1 78 HIS HB3 . . 5.800 4.230 3.871 4.453 . 0 0 "[ . 1 . 2 . 3 .]" 1
154 1 7 LEU H 1 81 ASP HB2 . . 4.500 2.873 2.583 3.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
155 1 7 LEU H 1 81 ASP HB3 . . 4.600 4.320 3.868 4.619 0.019 9 0 "[ . 1 . 2 . 3 .]" 1
156 1 7 LEU HA 1 7 LEU HB2 . . 2.700 2.780 2.649 2.880 0.180 27 0 "[ . 1 . 2 . 3 .]" 1
157 1 7 LEU HA 1 7 LEU MD1 . . 4.200 3.754 3.589 3.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
158 1 7 LEU HA 1 7 LEU HG . . 3.600 2.413 2.193 2.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
159 1 7 LEU HA 1 8 GLU H . . 4.200 3.549 3.506 3.573 . 0 0 "[ . 1 . 2 . 3 .]" 1
160 1 7 LEU HA 1 10 ILE H . . 3.700 3.668 3.543 3.721 0.021 8 0 "[ . 1 . 2 . 3 .]" 1
161 1 7 LEU HA 1 10 ILE HB . . 3.200 2.687 2.457 2.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
162 1 7 LEU HA 1 10 ILE MG . . 5.600 4.016 3.623 4.335 . 0 0 "[ . 1 . 2 . 3 .]" 1
163 1 7 LEU HA 1 11 GLN H . . 4.200 3.907 3.773 3.994 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 7 LEU HA 1 77 LEU MD1 . . 4.700 3.444 3.188 3.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
165 1 7 LEU HB2 1 8 GLU H . . 3.300 3.335 3.203 3.405 0.105 12 0 "[ . 1 . 2 . 3 .]" 1
166 1 7 LEU HB2 1 77 LEU MD1 . . 5.800 3.526 3.085 3.897 . 0 0 "[ . 1 . 2 . 3 .]" 1
167 1 7 LEU HB2 1 81 ASP HB2 . . 3.900 3.321 3.185 3.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
168 1 7 LEU HB3 1 8 GLU H . . 3.200 2.735 2.506 2.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
169 1 7 LEU HB3 1 77 LEU MD1 . . 4.400 4.798 4.519 4.945 0.545 27 3 "[ . 1 . 2 - . + 3 *]" 1
170 1 7 LEU HB3 1 81 ASP HB2 . . 4.900 4.942 4.802 5.066 0.166 23 0 "[ . 1 . 2 . 3 .]" 1
171 1 7 LEU MD2 1 8 GLU H . . 4.900 4.146 3.796 4.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
172 1 7 LEU HG 1 8 GLU H . . 5.400 5.051 4.831 5.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
173 1 7 LEU HG 1 11 GLN QG . . 5.700 4.727 4.503 5.003 . 0 0 "[ . 1 . 2 . 3 .]" 1
174 1 7 LEU HG 1 77 LEU MD1 . . 4.100 3.082 2.863 3.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
175 1 8 GLU H 1 8 GLU HA . . 2.900 2.795 2.754 2.831 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 8 GLU H 1 8 GLU HB2 . . 3.000 2.348 2.270 2.473 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 8 GLU H 1 8 GLU HB3 . . 3.100 2.661 2.299 2.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 8 GLU H 1 8 GLU HG2 . . 4.900 4.598 4.450 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
179 1 8 GLU H 1 8 GLU HG3 . . 4.700 4.518 4.284 4.582 . 0 0 "[ . 1 . 2 . 3 .]" 1
180 1 8 GLU H 1 9 GLU H . . 3.300 3.026 2.865 3.233 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 8 GLU H 1 10 ILE H . . 4.300 4.260 4.143 4.326 0.026 12 0 "[ . 1 . 2 . 3 .]" 1
182 1 8 GLU HA 1 8 GLU HB2 . . 2.800 2.515 2.349 2.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
183 1 8 GLU HA 1 8 GLU HB3 . . 3.000 3.034 3.018 3.042 0.042 2 0 "[ . 1 . 2 . 3 .]" 1
184 1 8 GLU HA 1 8 GLU HG2 . . 4.400 3.725 3.665 3.920 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 8 GLU HA 1 8 GLU HG3 . . 3.300 2.992 2.789 3.386 0.086 9 0 "[ . 1 . 2 . 3 .]" 1
186 1 8 GLU HA 1 9 GLU H . . 3.600 3.603 3.545 3.635 0.035 18 0 "[ . 1 . 2 . 3 .]" 1
187 1 8 GLU HA 1 11 GLN H . . 3.700 3.506 3.365 3.763 0.063 8 0 "[ . 1 . 2 . 3 .]" 1
188 1 8 GLU HA 1 11 GLN QG . . 5.300 3.459 3.039 4.398 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 8 GLU HB2 1 8 GLU HG2 . . 3.000 2.496 2.404 2.548 . 0 0 "[ . 1 . 2 . 3 .]" 1
190 1 8 GLU HB2 1 9 GLU H . . 3.500 3.581 3.536 3.640 0.140 9 0 "[ . 1 . 2 . 3 .]" 1
191 1 8 GLU HB3 1 9 GLU H . . 3.100 2.165 2.049 2.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
192 1 8 GLU HG2 1 9 GLU H . . 4.800 4.265 3.823 4.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 8 GLU HG2 1 9 GLU HA . . 5.200 5.200 4.982 5.236 0.036 25 0 "[ . 1 . 2 . 3 .]" 1
194 1 8 GLU HG3 1 9 GLU H . . 3.700 3.512 2.719 3.733 0.033 19 0 "[ . 1 . 2 . 3 .]" 1
195 1 9 GLU H 1 9 GLU HA . . 3.100 2.786 2.700 2.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
196 1 9 GLU H 1 9 GLU HB2 . . 3.400 2.198 2.128 2.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
197 1 9 GLU H 1 9 GLU HB3 . . 3.300 3.461 3.355 3.503 0.203 8 0 "[ . 1 . 2 . 3 .]" 1
198 1 9 GLU H 1 10 ILE H . . 3.000 2.917 2.798 3.056 0.056 6 0 "[ . 1 . 2 . 3 .]" 1
199 1 9 GLU H 1 10 ILE HB . . 5.600 5.120 4.889 5.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
200 1 9 GLU H 1 11 GLN H . . 5.200 4.288 4.128 4.404 . 0 0 "[ . 1 . 2 . 3 .]" 1
201 1 9 GLU HA 1 9 GLU HB2 . . 3.000 2.972 2.900 3.013 0.013 6 0 "[ . 1 . 2 . 3 .]" 1
202 1 9 GLU HA 1 9 GLU HB3 . . 3.000 2.776 2.628 2.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 9 GLU HA 1 10 ILE H . . 3.900 3.589 3.566 3.627 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 9 GLU HA 1 11 GLN H . . 4.700 4.511 4.237 4.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 9 GLU HA 1 12 LYS H . . 4.200 3.419 3.068 3.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
206 1 9 GLU HA 1 12 LYS QB . . 4.000 3.079 2.635 3.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
207 1 9 GLU HA 1 12 LYS QE . . 5.700 3.803 2.106 4.976 . 0 0 "[ . 1 . 2 . 3 .]" 1
208 1 9 GLU HA 1 12 LYS QG . . 5.100 2.799 2.200 4.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 9 GLU HB2 1 10 ILE H . . 3.400 2.919 2.599 3.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
210 1 9 GLU HB2 1 20 TRP HZ3 . . 5.500 5.039 4.393 5.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
211 1 9 GLU HB3 1 10 ILE H . . 3.400 3.004 2.857 3.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
212 1 9 GLU HB3 1 10 ILE HA . . 3.900 3.943 3.777 4.083 0.183 6 0 "[ . 1 . 2 . 3 .]" 1
213 1 9 GLU HB3 1 20 TRP HE3 . . 4.800 4.626 4.294 4.766 . 0 0 "[ . 1 . 2 . 3 .]" 1
214 1 9 GLU HB3 1 20 TRP HZ3 . . 4.600 3.577 3.123 3.761 . 0 0 "[ . 1 . 2 . 3 .]" 1
215 1 9 GLU QG 1 10 ILE H . . 5.600 4.473 4.389 4.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
216 1 9 GLU QG 1 20 TRP HH2 . . 6.600 5.683 5.159 5.889 . 0 0 "[ . 1 . 2 . 3 .]" 1
217 1 9 GLU QG 1 20 TRP HZ3 . . 5.700 4.655 4.193 4.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
218 1 10 ILE H 1 10 ILE HB . . 2.800 2.521 2.406 2.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
219 1 10 ILE H 1 11 GLN H . . 2.900 2.777 2.668 2.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 10 ILE H 1 11 GLN QG . . 6.700 5.131 4.832 5.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
221 1 10 ILE H 1 12 LYS H . . 6.000 4.199 4.006 4.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
222 1 10 ILE H 1 20 TRP HE3 . . 5.000 4.534 4.335 4.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
223 1 10 ILE H 1 20 TRP HZ3 . . 5.000 4.970 4.645 5.043 0.043 25 0 "[ . 1 . 2 . 3 .]" 1
224 1 10 ILE HA 1 10 ILE HB . . 3.100 3.041 3.025 3.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 10 ILE HA 1 10 ILE MG . . 3.500 2.420 2.261 2.559 . 0 0 "[ . 1 . 2 . 3 .]" 1
226 1 10 ILE HA 1 11 GLN H . . 3.700 3.594 3.542 3.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
227 1 10 ILE HA 1 12 LYS H . . 4.800 4.231 3.765 4.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
228 1 10 ILE HA 1 13 HIS H . . 4.000 3.602 3.309 3.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
229 1 10 ILE HA 1 13 HIS HB2 . . 4.700 3.207 2.777 3.869 . 0 0 "[ . 1 . 2 . 3 .]" 1
230 1 10 ILE HA 1 13 HIS HB3 . . 5.400 4.882 4.465 5.357 . 0 0 "[ . 1 . 2 . 3 .]" 1
231 1 10 ILE HA 1 13 HIS HD2 . . 4.000 3.943 3.505 4.060 0.060 10 0 "[ . 1 . 2 . 3 .]" 1
232 1 10 ILE HA 1 20 TRP HE3 . . 2.900 2.270 2.178 2.378 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 10 ILE HA 1 20 TRP HZ3 . . 3.800 3.819 3.746 3.858 0.058 15 0 "[ . 1 . 2 . 3 .]" 1
234 1 10 ILE HA 1 27 VAL MG1 . . 7.000 3.994 3.773 4.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
235 1 10 ILE HB 1 11 GLN H . . 3.200 2.696 2.590 2.852 . 0 0 "[ . 1 . 2 . 3 .]" 1
236 1 10 ILE HB 1 11 GLN QG . . 5.300 4.130 3.700 4.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
237 1 10 ILE MG 1 11 GLN H . . 4.700 3.589 3.390 3.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 10 ILE MG 1 11 GLN QG . . 8.000 4.185 3.841 4.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
239 1 10 ILE MG 1 12 LYS H . . 7.000 5.084 4.737 5.297 . 0 0 "[ . 1 . 2 . 3 .]" 1
240 1 10 ILE MG 1 20 TRP H . . 6.600 4.287 3.952 4.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
241 1 10 ILE MG 1 20 TRP HA . . 5.700 4.154 3.968 4.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
242 1 10 ILE MG 1 20 TRP HB2 . . 5.700 2.546 2.335 2.911 . 0 0 "[ . 1 . 2 . 3 .]" 1
243 1 10 ILE MG 1 20 TRP HB3 . . 4.700 2.252 2.086 2.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
244 1 10 ILE MG 1 20 TRP HE3 . . 3.800 2.764 2.484 3.172 . 0 0 "[ . 1 . 2 . 3 .]" 1
245 1 10 ILE MG 1 20 TRP HZ3 . . 6.700 4.719 4.493 4.974 . 0 0 "[ . 1 . 2 . 3 .]" 1
246 1 10 ILE MG 1 21 LEU H . . 4.600 2.905 2.636 3.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 10 ILE MG 1 22 ILE QG . . 3.700 2.250 1.991 2.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
248 1 10 ILE MG 1 27 VAL HA . . 5.100 4.193 4.048 4.305 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 10 ILE MG 1 27 VAL MG1 . . 5.400 2.328 2.174 2.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
250 1 10 ILE MG 1 27 VAL MG2 . . 5.500 3.369 3.025 3.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
251 1 10 ILE MG 1 49 GLY H . . 4.800 3.477 3.214 3.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
252 1 10 ILE MG 1 49 GLY HA2 . . 4.300 2.753 2.172 3.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
253 1 10 ILE MG 1 49 GLY HA3 . . 5.600 4.096 3.513 4.564 . 0 0 "[ . 1 . 2 . 3 .]" 1
254 1 10 ILE MG 1 50 GLY H . . 5.900 3.514 2.267 4.058 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 10 ILE MG 1 50 GLY HA3 . . 5.900 4.258 2.483 5.867 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 11 GLN H 1 11 GLN HA . . 3.100 2.812 2.773 2.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
257 1 11 GLN H 1 11 GLN HB2 . . 2.900 2.177 2.095 2.330 . 0 0 "[ . 1 . 2 . 3 .]" 1
258 1 11 GLN H 1 11 GLN HB3 . . 3.400 3.441 3.310 3.501 0.101 32 0 "[ . 1 . 2 . 3 .]" 1
259 1 11 GLN H 1 11 GLN QG . . 4.400 2.891 2.560 3.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 11 GLN H 1 12 LYS H . . 3.400 2.826 2.643 2.940 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 11 GLN H 1 12 LYS QG . . 5.700 4.476 4.094 4.847 . 0 0 "[ . 1 . 2 . 3 .]" 1
262 1 11 GLN H 1 13 HIS H . . 5.400 4.165 3.965 4.349 . 0 0 "[ . 1 . 2 . 3 .]" 1
263 1 11 GLN HA 1 11 GLN HB3 . . 2.900 2.699 2.541 2.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 11 GLN HA 1 12 LYS H . . 4.200 3.575 3.412 3.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 11 GLN HA 1 13 HIS H . . 3.900 3.712 3.459 3.943 0.043 19 0 "[ . 1 . 2 . 3 .]" 1
266 1 11 GLN HA 1 49 GLY H . . 5.100 4.694 4.485 4.928 . 0 0 "[ . 1 . 2 . 3 .]" 1
267 1 11 GLN HA 1 49 GLY HA2 . . 3.400 2.499 2.091 3.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 11 GLN HA 1 49 GLY HA3 . . 4.000 2.593 2.216 3.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
269 1 11 GLN HB2 1 12 LYS H . . 3.800 3.111 2.812 3.641 . 0 0 "[ . 1 . 2 . 3 .]" 1
270 1 11 GLN HB3 1 12 LYS H . . 3.800 3.425 2.882 3.883 0.083 13 0 "[ . 1 . 2 . 3 .]" 1
271 1 11 GLN HB3 1 12 LYS HA . . 4.800 4.162 3.772 4.453 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 11 GLN HB3 1 12 LYS QG . . 4.900 4.131 3.712 5.237 0.337 19 0 "[ . 1 . 2 . 3 .]" 1
273 1 11 GLN QG 1 12 LYS H . . 6.500 4.535 4.379 4.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 11 GLN QG 1 49 GLY HA2 . . 6.200 3.763 3.223 4.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 11 GLN QG 1 49 GLY HA3 . . 5.800 3.650 2.786 4.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
276 1 12 LYS H 1 12 LYS HA . . 3.100 2.858 2.784 2.948 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 12 LYS H 1 12 LYS QB . . 2.900 2.461 2.309 2.655 . 0 0 "[ . 1 . 2 . 3 .]" 1
278 1 12 LYS H 1 12 LYS QE . . 6.900 4.428 2.953 5.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 12 LYS H 1 12 LYS QG . . 4.200 2.336 1.945 2.737 . 0 0 "[ . 1 . 2 . 3 .]" 1
280 1 12 LYS H 1 13 HIS H . . 2.800 2.739 2.354 2.844 0.044 7 0 "[ . 1 . 2 . 3 .]" 1
281 1 12 LYS HA 1 12 LYS QG . . 3.800 2.476 2.143 3.383 . 0 0 "[ . 1 . 2 . 3 .]" 1
282 1 12 LYS HA 1 13 HIS H . . 3.500 3.483 3.422 3.532 0.032 13 0 "[ . 1 . 2 . 3 .]" 1
283 1 12 LYS QB 1 13 HIS H . . 3.900 3.144 2.874 3.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
284 1 12 LYS QG 1 13 HIS H . . 5.100 4.278 2.337 4.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
285 1 13 HIS H 1 13 HIS HB2 . . 3.200 2.430 2.276 2.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
286 1 13 HIS H 1 13 HIS HB3 . . 4.000 3.637 3.563 3.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
287 1 13 HIS H 1 13 HIS HD2 . . 3.600 2.664 2.374 2.967 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 13 HIS H 1 14 ASN H . . 4.200 3.627 3.384 4.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
289 1 13 HIS H 1 14 ASN HD22 . . 5.200 5.136 3.431 5.289 0.089 2 0 "[ . 1 . 2 . 3 .]" 1
290 1 13 HIS H 1 20 TRP H . . 5.600 4.954 4.674 5.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
291 1 13 HIS HA 1 13 HIS HB3 . . 3.000 2.492 2.420 2.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 13 HIS HA 1 13 HIS HD2 . . 3.700 3.477 3.249 3.758 0.058 19 0 "[ . 1 . 2 . 3 .]" 1
293 1 13 HIS HA 1 13 HIS HE1 . . 6.000 5.481 5.009 5.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
294 1 13 HIS HA 1 14 ASN H . . 3.100 2.485 2.341 3.127 0.027 26 0 "[ . 1 . 2 . 3 .]" 1
295 1 13 HIS HA 1 20 TRP H . . 5.900 4.564 4.194 5.394 . 0 0 "[ . 1 . 2 . 3 .]" 1
296 1 13 HIS HB2 1 20 TRP H . . 4.300 3.274 2.819 3.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
297 1 13 HIS HB2 1 20 TRP HB2 . . 4.500 2.214 2.115 2.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
298 1 13 HIS HB2 1 20 TRP HB3 . . 4.700 3.750 3.554 4.223 . 0 0 "[ . 1 . 2 . 3 .]" 1
299 1 13 HIS HB2 1 20 TRP HD1 . . 4.400 4.373 4.038 4.489 0.089 22 0 "[ . 1 . 2 . 3 .]" 1
300 1 13 HIS HB2 1 20 TRP HE3 . . 6.000 3.616 2.892 4.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
301 1 13 HIS HB3 1 13 HIS HD2 . . 4.100 3.937 3.874 3.959 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 13 HIS HB3 1 13 HIS HE1 . . 5.400 4.794 4.728 4.846 . 0 0 "[ . 1 . 2 . 3 .]" 1
303 1 13 HIS HB3 1 14 ASN H . . 4.300 4.163 1.981 4.342 0.042 4 0 "[ . 1 . 2 . 3 .]" 1
304 1 13 HIS HB3 1 19 THR HA . . 5.500 4.042 3.317 4.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
305 1 13 HIS HB3 1 20 TRP H . . 4.200 2.841 2.455 3.233 . 0 0 "[ . 1 . 2 . 3 .]" 1
306 1 13 HIS HB3 1 20 TRP HB2 . . 4.500 2.981 2.500 3.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 13 HIS HD2 1 20 TRP HE3 . . 5.100 4.765 3.796 5.058 . 0 0 "[ . 1 . 2 . 3 .]" 1
308 1 13 HIS HE1 1 20 TRP HH2 . . 6.000 4.050 3.370 4.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 13 HIS HE1 1 20 TRP HZ2 . . 4.100 3.384 2.961 3.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
310 1 14 ASN H 1 14 ASN HB3 . . 4.000 3.294 2.843 3.723 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 14 ASN H 1 15 ASN H . . 3.000 2.712 1.966 3.070 0.070 9 0 "[ . 1 . 2 . 3 .]" 1
312 1 14 ASN H 1 15 ASN HA . . 5.500 4.827 4.195 5.502 0.002 33 0 "[ . 1 . 2 . 3 .]" 1
313 1 14 ASN HA 1 48 ALA MB . . 5.500 2.390 1.986 3.060 . 0 0 "[ . 1 . 2 . 3 .]" 1
314 1 14 ASN HA 1 49 GLY H . . 5.400 4.287 3.083 5.217 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 14 ASN HB2 1 48 ALA MB . . 5.200 2.843 2.086 3.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
316 1 14 ASN HB2 1 49 GLY HA2 . . 5.600 4.618 3.657 5.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
317 1 14 ASN HB2 1 49 GLY HA3 . . 5.100 3.706 3.247 5.127 0.027 34 0 "[ . 1 . 2 . 3 .]" 1
318 1 14 ASN HB3 1 48 ALA MB . . 4.600 3.151 2.060 4.147 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 14 ASN HB3 1 49 GLY HA2 . . 5.600 3.283 2.254 4.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 14 ASN HB3 1 49 GLY HA3 . . 5.100 2.668 2.093 4.312 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 15 ASN H 1 15 ASN HB3 . . 3.600 3.395 2.387 4.003 0.403 18 0 "[ . 1 . 2 . 3 .]" 1
322 1 15 ASN H 1 18 SER H . . 5.700 3.783 2.765 5.750 0.050 2 0 "[ . 1 . 2 . 3 .]" 1
323 1 15 ASN H 1 19 THR HA . . 5.800 4.235 2.411 5.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 15 ASN H 1 19 THR MG . . 7.000 5.573 3.467 5.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
325 1 15 ASN HA 1 15 ASN HB2 . . 3.000 2.732 2.379 3.011 0.011 33 0 "[ . 1 . 2 . 3 .]" 1
326 1 15 ASN HA 1 15 ASN HB3 . . 2.900 2.910 2.327 3.038 0.138 34 0 "[ . 1 . 2 . 3 .]" 1
327 1 15 ASN HB3 1 15 ASN HD22 . . 4.100 3.716 3.494 4.138 0.038 28 0 "[ . 1 . 2 . 3 .]" 1
328 1 17 LYS H 1 17 LYS HB2 . . 3.700 2.688 2.091 3.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
329 1 17 LYS H 1 17 LYS HB3 . . 3.400 3.393 2.550 3.804 0.404 16 0 "[ . 1 . 2 . 3 .]" 1
330 1 17 LYS H 1 17 LYS HG2 . . 4.700 4.374 2.978 4.744 0.044 33 0 "[ . 1 . 2 . 3 .]" 1
331 1 17 LYS H 1 17 LYS HG3 . . 4.700 3.973 2.575 4.740 0.040 8 0 "[ . 1 . 2 . 3 .]" 1
332 1 17 LYS H 1 18 SER H . . 3.200 2.538 1.958 3.221 0.021 18 0 "[ . 1 . 2 . 3 .]" 1
333 1 17 LYS HA 1 17 LYS HG2 . . 3.800 2.655 2.135 3.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
334 1 17 LYS HA 1 17 LYS HG3 . . 3.200 2.711 2.173 3.580 0.380 27 0 "[ . 1 . 2 . 3 .]" 1
335 1 17 LYS HA 1 18 SER H . . 4.300 3.599 3.520 3.654 . 0 0 "[ . 1 . 2 . 3 .]" 1
336 1 17 LYS HB2 1 17 LYS HG3 . . 3.100 2.548 2.264 3.047 . 0 0 "[ . 1 . 2 . 3 .]" 1
337 1 17 LYS HB2 1 18 SER H . . 4.000 3.054 2.199 4.062 0.062 35 0 "[ . 1 . 2 . 3 .]" 1
338 1 17 LYS HB3 1 17 LYS QE . . 4.800 3.728 2.113 4.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
339 1 17 LYS HB3 1 17 LYS HG2 . . 2.700 2.514 2.178 3.049 0.349 9 0 "[ . 1 . 2 . 3 .]" 1
340 1 17 LYS HB3 1 18 SER H . . 4.000 2.828 2.025 3.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 18 SER H 1 18 SER HB2 . . 3.700 3.116 2.170 3.880 0.180 6 0 "[ . 1 . 2 . 3 .]" 1
342 1 18 SER H 1 18 SER HB3 . . 3.800 3.413 2.476 3.886 0.086 14 0 "[ . 1 . 2 . 3 .]" 1
343 1 18 SER H 1 19 THR H . . 4.700 4.157 3.211 4.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 18 SER H 1 31 THR MG . . 6.600 4.738 3.314 5.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
345 1 18 SER HA 1 19 THR H . . 3.000 2.267 2.075 2.654 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 18 SER HA 1 31 THR HA . . 5.000 4.302 3.028 5.030 0.030 9 0 "[ . 1 . 2 . 3 .]" 1
347 1 18 SER HA 1 31 THR MG . . 4.100 2.748 1.967 3.427 . 0 0 "[ . 1 . 2 . 3 .]" 1
348 1 18 SER HB2 1 19 THR H . . 5.200 3.952 2.257 4.732 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 18 SER HB3 1 19 THR H . . 5.300 3.668 2.031 4.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
350 1 19 THR H 1 19 THR HB . . 3.200 2.507 2.210 2.853 . 0 0 "[ . 1 . 2 . 3 .]" 1
351 1 19 THR H 1 19 THR MG . . 4.600 3.778 3.648 3.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
352 1 19 THR H 1 20 TRP H . . 4.300 3.935 3.504 4.262 . 0 0 "[ . 1 . 2 . 3 .]" 1
353 1 19 THR H 1 20 TRP HD1 . . 4.400 3.444 2.839 4.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
354 1 19 THR H 1 31 THR H . . 5.000 3.714 3.025 3.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
355 1 19 THR H 1 31 THR HA . . 3.700 3.068 2.551 3.783 0.083 34 0 "[ . 1 . 2 . 3 .]" 1
356 1 19 THR H 1 31 THR HB . . 5.700 2.378 1.932 3.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
357 1 19 THR H 1 31 THR MG . . 4.300 3.431 2.855 3.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
358 1 19 THR H 1 34 LEU MD1 . . 5.900 4.145 3.338 4.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
359 1 19 THR H 1 34 LEU MD2 . . 6.200 4.677 4.112 5.185 . 0 0 "[ . 1 . 2 . 3 .]" 1
360 1 19 THR HA 1 19 THR MG . . 3.700 2.493 2.241 2.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
361 1 19 THR HA 1 20 TRP H . . 2.800 2.234 2.148 2.337 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 19 THR HA 1 20 TRP HA . . 4.500 4.481 4.431 4.526 0.026 18 0 "[ . 1 . 2 . 3 .]" 1
363 1 19 THR HA 1 48 ALA MB . . 5.200 2.356 2.019 2.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 19 THR HB 1 20 TRP H . . 4.700 4.552 4.447 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 1 19 THR HB 1 30 LEU H . . 6.000 3.934 3.274 4.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
366 1 19 THR HB 1 30 LEU HB3 . . 5.600 5.288 4.670 5.635 0.035 24 0 "[ . 1 . 2 . 3 .]" 1
367 1 19 THR HB 1 30 LEU MD2 . . 7.000 6.218 5.524 6.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 1 19 THR HB 1 31 THR H . . 5.100 3.341 2.098 4.320 . 0 0 "[ . 1 . 2 . 3 .]" 1
369 1 19 THR HB 1 34 LEU MD1 . . 4.300 3.069 2.688 3.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
370 1 19 THR HB 1 34 LEU MD2 . . 4.400 2.635 2.203 3.443 . 0 0 "[ . 1 . 2 . 3 .]" 1
371 1 19 THR HB 1 34 LEU HG . . 4.600 3.566 3.129 4.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 1 19 THR HB 1 48 ALA MB . . 4.900 4.036 3.827 4.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
373 1 19 THR MG 1 20 TRP H . . 4.800 3.494 3.220 3.681 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 1 19 THR MG 1 20 TRP HA . . 5.700 4.005 3.736 4.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
375 1 19 THR MG 1 21 LEU MD2 . . 6.200 2.739 2.367 3.220 . 0 0 "[ . 1 . 2 . 3 .]" 1
376 1 19 THR MG 1 30 LEU H . . 5.300 3.818 3.199 4.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
377 1 19 THR MG 1 30 LEU HB2 . . 5.100 3.176 2.528 4.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
378 1 19 THR MG 1 30 LEU MD2 . . 5.500 5.032 4.329 6.042 0.542 9 1 "[ . +1 . 2 . 3 .]" 1
379 1 19 THR MG 1 31 THR H . . 6.100 4.072 2.782 5.110 . 0 0 "[ . 1 . 2 . 3 .]" 1
380 1 19 THR MG 1 31 THR HA . . 5.500 3.788 3.279 4.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
381 1 19 THR MG 1 34 LEU MD2 . . 4.500 2.094 1.958 2.256 . 0 0 "[ . 1 . 2 . 3 .]" 1
382 1 19 THR MG 1 48 ALA HA . . 4.500 3.150 2.650 3.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 1 19 THR MG 1 48 ALA MB . . 4.600 1.918 1.807 2.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 1 19 THR MG 1 49 GLY H . . 5.500 4.256 3.943 4.505 . 0 0 "[ . 1 . 2 . 3 .]" 1
385 1 20 TRP H 1 20 TRP HB2 . . 3.400 2.448 2.372 2.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
386 1 20 TRP H 1 20 TRP HB3 . . 3.600 3.637 3.607 3.677 0.077 9 0 "[ . 1 . 2 . 3 .]" 1
387 1 20 TRP H 1 20 TRP HD1 . . 4.700 3.240 2.939 3.551 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 1 20 TRP H 1 20 TRP HE3 . . 5.700 5.489 5.268 5.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 1 20 TRP H 1 21 LEU H . . 6.000 4.472 4.383 4.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
390 1 20 TRP H 1 48 ALA HA . . 4.800 4.416 4.166 4.662 . 0 0 "[ . 1 . 2 . 3 .]" 1
391 1 20 TRP H 1 48 ALA MB . . 5.200 2.976 2.726 3.392 . 0 0 "[ . 1 . 2 . 3 .]" 1
392 1 20 TRP H 1 49 GLY H . . 4.800 3.516 3.138 3.926 . 0 0 "[ . 1 . 2 . 3 .]" 1
393 1 20 TRP H 1 49 GLY HA2 . . 5.200 4.521 4.150 4.853 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 1 20 TRP HA 1 20 TRP HB3 . . 3.100 2.475 2.421 2.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
395 1 20 TRP HA 1 20 TRP HD1 . . 3.700 2.630 2.511 2.734 . 0 0 "[ . 1 . 2 . 3 .]" 1
396 1 20 TRP HA 1 20 TRP HE1 . . 4.900 4.774 4.638 4.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 1 20 TRP HA 1 21 LEU H . . 2.600 2.529 2.415 2.607 0.007 14 0 "[ . 1 . 2 . 3 .]" 1
398 1 20 TRP HA 1 21 LEU HB3 . . 4.400 4.780 4.626 4.929 0.529 11 1 "[ . 1+ . 2 . 3 .]" 1
399 1 20 TRP HA 1 21 LEU MD1 . . 6.400 4.187 3.665 4.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
400 1 20 TRP HA 1 21 LEU MD2 . . 7.000 4.387 4.003 4.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
401 1 20 TRP HA 1 27 VAL MG1 . . 5.300 3.818 3.618 4.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
402 1 20 TRP HA 1 28 TYR H . . 5.200 4.184 3.919 4.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
403 1 20 TRP HA 1 29 ASP HA . . 3.400 2.783 2.333 3.080 . 0 0 "[ . 1 . 2 . 3 .]" 1
404 1 20 TRP HA 1 29 ASP HB2 . . 5.700 4.668 4.003 5.126 . 0 0 "[ . 1 . 2 . 3 .]" 1
405 1 20 TRP HA 1 30 LEU H . . 3.600 3.487 3.315 3.606 0.006 11 0 "[ . 1 . 2 . 3 .]" 1
406 1 20 TRP HA 1 30 LEU MD1 . . 6.800 3.933 3.458 4.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
407 1 20 TRP HA 1 30 LEU HG . . 6.000 5.320 4.317 5.850 . 0 0 "[ . 1 . 2 . 3 .]" 1
408 1 20 TRP HA 1 74 ILE MD . . 7.000 4.099 3.752 4.504 . 0 0 "[ . 1 . 2 . 3 .]" 1
409 1 20 TRP HB2 1 20 TRP HE3 . . 4.400 3.137 2.933 3.301 . 0 0 "[ . 1 . 2 . 3 .]" 1
410 1 20 TRP HB2 1 20 TRP HZ3 . . 6.000 5.472 5.305 5.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
411 1 20 TRP HB2 1 21 LEU H . . 3.600 3.521 3.349 3.633 0.033 26 0 "[ . 1 . 2 . 3 .]" 1
412 1 20 TRP HB2 1 27 VAL MG1 . . 6.100 3.923 3.674 4.295 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 20 TRP HB2 1 74 ILE MD . . 5.800 4.595 4.354 4.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
414 1 20 TRP HB3 1 20 TRP HE3 . . 4.200 2.772 2.663 2.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
415 1 20 TRP HB3 1 20 TRP HZ3 . . 5.600 5.099 4.961 5.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
416 1 20 TRP HB3 1 21 LEU H . . 2.900 2.291 2.165 2.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
417 1 20 TRP HB3 1 27 VAL MG1 . . 5.200 2.592 2.390 2.897 . 0 0 "[ . 1 . 2 . 3 .]" 1
418 1 20 TRP HB3 1 29 ASP HA . . 4.800 4.369 4.153 4.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
419 1 20 TRP HB3 1 49 GLY H . . 5.000 4.737 4.423 5.020 0.020 26 0 "[ . 1 . 2 . 3 .]" 1
420 1 20 TRP HD1 1 21 LEU H . . 5.000 4.936 4.814 5.037 0.037 29 0 "[ . 1 . 2 . 3 .]" 1
421 1 20 TRP HD1 1 27 VAL MG1 . . 7.000 4.907 4.755 5.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
422 1 20 TRP HD1 1 29 ASP HA . . 3.500 2.481 2.262 2.674 . 0 0 "[ . 1 . 2 . 3 .]" 1
423 1 20 TRP HD1 1 29 ASP HB2 . . 4.000 3.542 2.953 3.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
424 1 20 TRP HD1 1 29 ASP HB3 . . 6.000 4.761 4.199 5.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 1 20 TRP HD1 1 30 LEU H . . 4.300 3.507 3.010 3.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
426 1 20 TRP HD1 1 74 ILE MD . . 5.800 4.041 3.824 4.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 1 20 TRP HE1 1 29 ASP HA . . 4.400 3.408 3.055 4.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
428 1 20 TRP HE1 1 29 ASP HB2 . . 3.700 2.534 2.249 2.793 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 1 20 TRP HE1 1 29 ASP HB3 . . 4.400 3.861 3.667 4.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
430 1 20 TRP HE1 1 74 ILE MD . . 4.400 3.452 3.180 3.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
431 1 20 TRP HE3 1 74 ILE MD . . 5.800 3.308 3.164 3.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
432 1 20 TRP HH2 1 27 VAL MG1 . . 7.000 4.946 4.708 5.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
433 1 20 TRP HH2 1 74 ILE MD . . 4.600 3.302 3.050 3.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
434 1 20 TRP HH2 1 74 ILE MG . . 7.000 5.019 4.553 5.486 . 0 0 "[ . 1 . 2 . 3 .]" 1
435 1 20 TRP HZ2 1 74 ILE MD . . 4.300 3.022 2.789 3.308 . 0 0 "[ . 1 . 2 . 3 .]" 1
436 1 20 TRP HZ2 1 74 ILE MG . . 7.000 3.947 3.512 4.390 . 0 0 "[ . 1 . 2 . 3 .]" 1
437 1 20 TRP HZ3 1 27 VAL MG1 . . 5.100 3.633 3.368 3.843 . 0 0 "[ . 1 . 2 . 3 .]" 1
438 1 20 TRP HZ3 1 27 VAL MG2 . . 5.800 4.775 4.501 4.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
439 1 20 TRP HZ3 1 74 ILE MD . . 5.300 3.391 3.190 3.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 1 21 LEU H 1 21 LEU HB2 . . 4.200 4.017 3.908 4.069 . 0 0 "[ . 1 . 2 . 3 .]" 1
441 1 21 LEU H 1 21 LEU HB3 . . 3.900 3.773 3.699 3.832 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 1 21 LEU H 1 21 LEU MD1 . . 4.400 3.074 2.452 3.359 . 0 0 "[ . 1 . 2 . 3 .]" 1
443 1 21 LEU H 1 21 LEU MD2 . . 5.500 4.308 4.167 4.461 . 0 0 "[ . 1 . 2 . 3 .]" 1
444 1 21 LEU H 1 21 LEU HG . . 4.200 2.837 2.651 3.051 . 0 0 "[ . 1 . 2 . 3 .]" 1
445 1 21 LEU H 1 22 ILE H . . 4.600 4.297 4.270 4.352 . 0 0 "[ . 1 . 2 . 3 .]" 1
446 1 21 LEU H 1 22 ILE HA . . 4.700 4.555 4.491 4.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
447 1 21 LEU H 1 27 VAL HA . . 5.600 3.819 3.665 4.014 . 0 0 "[ . 1 . 2 . 3 .]" 1
448 1 21 LEU H 1 27 VAL MG1 . . 5.100 2.697 2.557 2.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
449 1 21 LEU H 1 27 VAL MG2 . . 6.900 4.714 4.532 5.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
450 1 21 LEU H 1 28 TYR CG . . 6.900 5.951 5.571 6.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
451 1 21 LEU H 1 28 TYR H . . 3.500 2.887 2.618 3.048 . 0 0 "[ . 1 . 2 . 3 .]" 1
452 1 21 LEU H 1 29 ASP HA . . 4.900 4.739 4.284 4.925 0.025 15 0 "[ . 1 . 2 . 3 .]" 1
453 1 21 LEU H 1 30 LEU MD1 . . 5.900 4.665 4.328 5.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
454 1 21 LEU HA 1 21 LEU HB2 . . 3.100 2.585 2.553 2.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
455 1 21 LEU HA 1 21 LEU HB3 . . 3.000 2.295 2.254 2.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
456 1 21 LEU HA 1 21 LEU HG . . 3.600 3.649 3.627 3.666 0.066 35 0 "[ . 1 . 2 . 3 .]" 1
457 1 21 LEU HA 1 22 ILE H . . 2.800 2.505 2.423 2.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
458 1 21 LEU HA 1 49 GLY H . . 4.100 2.876 2.590 3.114 . 0 0 "[ . 1 . 2 . 3 .]" 1
459 1 21 LEU HA 1 50 GLY H . . 4.600 2.566 1.985 3.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
460 1 21 LEU HB2 1 22 ILE H . . 3.100 2.298 2.182 2.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
461 1 21 LEU HB2 1 48 ALA HA . . 4.300 3.834 3.688 4.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
462 1 21 LEU HB2 1 49 GLY H . . 4.500 4.330 3.944 4.662 0.162 32 0 "[ . 1 . 2 . 3 .]" 1
463 1 21 LEU HB2 1 50 GLY H . . 5.000 3.758 3.628 4.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
464 1 21 LEU HB2 1 52 ALA MB . . 5.100 2.499 2.228 2.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
465 1 21 LEU HB3 1 22 ILE H . . 3.600 3.492 3.418 3.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
466 1 21 LEU HB3 1 48 ALA HA . . 4.700 2.178 2.039 2.348 . 0 0 "[ . 1 . 2 . 3 .]" 1
467 1 21 LEU HB3 1 49 GLY H . . 4.700 2.815 2.389 3.096 . 0 0 "[ . 1 . 2 . 3 .]" 1
468 1 21 LEU HB3 1 50 GLY H . . 4.000 3.209 3.010 3.425 . 0 0 "[ . 1 . 2 . 3 .]" 1
469 1 21 LEU MD1 1 22 ILE H . . 5.200 3.396 3.165 3.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
470 1 21 LEU MD1 1 22 ILE HA . . 7.000 3.726 3.571 3.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
471 1 21 LEU MD1 1 23 LEU HB3 . . 6.400 4.562 4.201 4.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
472 1 21 LEU MD1 1 23 LEU MD1 . . 5.800 1.948 1.882 2.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
473 1 21 LEU MD1 1 23 LEU MD2 . . 5.700 2.143 1.956 2.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
474 1 21 LEU MD1 1 23 LEU HG . . 4.800 3.990 3.818 4.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
475 1 21 LEU MD1 1 28 TYR CG . . 7.100 3.672 3.534 3.887 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 1 21 LEU MD1 1 28 TYR CZ . . 9.000 5.365 5.166 5.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
477 1 21 LEU MD1 1 28 TYR H . . 4.900 2.907 2.545 3.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
478 1 21 LEU MD1 1 28 TYR HB2 . . 5.100 2.247 2.094 2.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
479 1 21 LEU MD1 1 28 TYR HB3 . . 5.600 3.515 3.257 3.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
480 1 21 LEU MD1 1 44 LEU HA . . 7.000 5.648 5.117 5.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
481 1 21 LEU MD1 1 48 ALA HA . . 5.600 4.684 4.567 4.738 . 0 0 "[ . 1 . 2 . 3 .]" 1
482 1 21 LEU MD1 1 49 GLY H . . 6.400 5.243 4.955 5.348 . 0 0 "[ . 1 . 2 . 3 .]" 1
483 1 21 LEU MD1 1 50 GLY H . . 6.400 5.332 5.213 5.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
484 1 21 LEU MD1 1 52 ALA H . . 6.100 4.502 4.152 5.083 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 1 21 LEU MD1 1 52 ALA MB . . 5.000 2.871 2.425 3.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
486 1 21 LEU MD2 1 22 ILE H . . 5.300 4.438 4.395 4.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 1 21 LEU MD2 1 23 LEU MD1 . . 6.000 3.185 2.660 3.453 . 0 0 "[ . 1 . 2 . 3 .]" 1
488 1 21 LEU MD2 1 23 LEU MD2 . . 8.000 3.478 3.051 3.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
489 1 21 LEU MD2 1 23 LEU HG . . 7.000 5.396 4.838 5.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 1 21 LEU MD2 1 28 TYR H . . 6.500 5.299 5.146 5.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
491 1 21 LEU MD2 1 28 TYR HB3 . . 6.200 5.198 5.109 5.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 1 21 LEU MD2 1 30 LEU MD1 . . 6.800 2.512 2.055 2.843 . 0 0 "[ . 1 . 2 . 3 .]" 1
493 1 21 LEU MD2 1 44 LEU HA . . 5.700 3.493 3.106 3.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 21 LEU MD2 1 47 GLN H . . 5.800 4.767 4.414 4.884 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 1 21 LEU MD2 1 47 GLN HA . . 7.000 5.035 4.464 5.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
496 1 21 LEU MD2 1 47 GLN HB2 . . 7.000 3.708 3.196 4.320 . 0 0 "[ . 1 . 2 . 3 .]" 1
497 1 21 LEU MD2 1 47 GLN HB3 . . 5.100 3.286 2.529 3.822 . 0 0 "[ . 1 . 2 . 3 .]" 1
498 1 21 LEU MD2 1 47 GLN HG3 . . 6.500 5.139 4.607 5.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
499 1 21 LEU MD2 1 48 ALA H . . 6.500 3.761 3.460 4.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
500 1 21 LEU MD2 1 48 ALA HA . . 4.800 2.532 2.360 2.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
501 1 21 LEU MD2 1 48 ALA MB . . 8.000 3.211 2.801 3.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
502 1 21 LEU MD2 1 49 GLY H . . 5.300 4.077 3.844 4.426 . 0 0 "[ . 1 . 2 . 3 .]" 1
503 1 21 LEU MD2 1 52 ALA H . . 6.600 5.059 4.684 5.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 1 21 LEU MD2 1 52 ALA MB . . 5.100 2.649 2.311 2.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 1 21 LEU HG 1 48 ALA HA . . 5.300 3.807 3.439 4.038 . 0 0 "[ . 1 . 2 . 3 .]" 1
506 1 21 LEU HG 1 49 GLY H . . 4.600 4.412 4.058 4.638 0.038 16 0 "[ . 1 . 2 . 3 .]" 1
507 1 21 LEU HG 1 52 ALA MB . . 5.800 4.646 4.377 4.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
508 1 22 ILE H 1 22 ILE HB . . 3.300 2.554 2.500 2.647 . 0 0 "[ . 1 . 2 . 3 .]" 1
509 1 22 ILE H 1 22 ILE QG . . 3.900 2.953 2.797 3.097 . 0 0 "[ . 1 . 2 . 3 .]" 1
510 1 22 ILE H 1 22 ILE MG . . 4.700 3.840 3.791 3.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
511 1 22 ILE H 1 23 LEU H . . 4.300 4.240 4.080 4.312 0.012 11 0 "[ . 1 . 2 . 3 .]" 1
512 1 22 ILE H 1 23 LEU MD1 . . 6.200 3.402 3.108 3.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
513 1 22 ILE H 1 50 GLY H . . 4.700 3.618 3.183 4.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 1 22 ILE H 1 52 ALA H . . 4.600 3.012 2.813 3.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
515 1 22 ILE H 1 52 ALA MB . . 5.300 3.457 2.973 3.900 . 0 0 "[ . 1 . 2 . 3 .]" 1
516 1 22 ILE HA 1 22 ILE QG . . 4.000 2.398 2.321 2.483 . 0 0 "[ . 1 . 2 . 3 .]" 1
517 1 22 ILE HA 1 23 LEU H . . 2.800 2.130 2.082 2.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
518 1 22 ILE HA 1 23 LEU MD1 . . 7.000 3.840 3.746 3.974 . 0 0 "[ . 1 . 2 . 3 .]" 1
519 1 22 ILE HA 1 23 LEU MD2 . . 7.000 5.006 4.638 5.298 . 0 0 "[ . 1 . 2 . 3 .]" 1
520 1 22 ILE HA 1 27 VAL HA . . 3.600 2.794 2.607 2.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 1 22 ILE HA 1 27 VAL MG1 . . 6.500 3.863 3.648 4.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
522 1 22 ILE HA 1 27 VAL MG2 . . 4.500 3.440 3.294 3.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
523 1 22 ILE HA 1 28 TYR CG . . 7.200 5.871 5.529 6.095 . 0 0 "[ . 1 . 2 . 3 .]" 1
524 1 22 ILE HA 1 28 TYR CZ . . 7.600 6.538 6.062 6.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 1 22 ILE HA 1 28 TYR H . . 4.400 4.122 3.852 4.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
526 1 22 ILE HB 1 23 LEU H . . 5.000 4.374 4.284 4.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
527 1 22 ILE HB 1 51 ASP H . . 4.900 3.929 2.246 4.925 0.025 21 0 "[ . 1 . 2 . 3 .]" 1
528 1 22 ILE HB 1 51 ASP HA . . 5.400 2.840 2.050 3.961 . 0 0 "[ . 1 . 2 . 3 .]" 1
529 1 22 ILE QG 1 23 LEU H . . 4.700 4.162 4.012 4.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 1 22 ILE QG 1 27 VAL H . . 4.500 4.853 4.703 4.900 0.400 14 0 "[ . 1 . 2 . 3 .]" 1
531 1 22 ILE QG 1 27 VAL HA . . 6.000 3.509 3.314 3.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
532 1 22 ILE QG 1 27 VAL MG1 . . 4.800 3.146 2.904 3.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
533 1 22 ILE QG 1 52 ALA H . . 5.300 5.190 4.996 5.444 0.144 31 0 "[ . 1 . 2 . 3 .]" 1
534 1 22 ILE QG 1 77 LEU MD1 . . 3.500 2.663 2.275 3.055 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 1 22 ILE QG 1 77 LEU MD2 . . 6.200 4.301 3.766 4.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
536 1 22 ILE MG 1 23 LEU H . . 4.000 2.957 2.737 3.096 . 0 0 "[ . 1 . 2 . 3 .]" 1
537 1 22 ILE MG 1 23 LEU HA . . 5.400 3.730 3.512 3.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 1 22 ILE MG 1 24 HIS H . . 5.100 3.258 2.907 3.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
539 1 22 ILE MG 1 24 HIS HA . . 5.200 4.195 3.943 4.351 . 0 0 "[ . 1 . 2 . 3 .]" 1
540 1 22 ILE MG 1 25 TYR CG . . 7.200 4.377 4.230 4.487 . 0 0 "[ . 1 . 2 . 3 .]" 1
541 1 22 ILE MG 1 25 TYR H . . 3.900 2.280 2.129 2.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
542 1 22 ILE MG 1 25 TYR HA . . 4.000 2.323 2.166 2.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
543 1 22 ILE MG 1 25 TYR HB2 . . 5.800 4.660 4.504 4.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
544 1 22 ILE MG 1 26 LYS H . . 4.200 2.722 2.325 3.225 . 0 0 "[ . 1 . 2 . 3 .]" 1
545 1 22 ILE MG 1 27 VAL HA . . 6.000 4.259 4.023 4.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
546 1 22 ILE MG 1 28 TYR CG . . 8.800 6.935 6.684 7.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
547 1 22 ILE MG 1 28 TYR CZ . . 9.000 6.808 6.404 7.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
548 1 22 ILE MG 1 77 LEU H . . 5.700 4.465 4.226 4.755 . 0 0 "[ . 1 . 2 . 3 .]" 1
549 1 22 ILE MG 1 77 LEU MD1 . . 5.100 2.672 2.208 3.387 . 0 0 "[ . 1 . 2 . 3 .]" 1
550 1 22 ILE MG 1 77 LEU MD2 . . 5.200 2.918 2.299 3.284 . 0 0 "[ . 1 . 2 . 3 .]" 1
551 1 23 LEU H 1 23 LEU HB2 . . 3.400 2.430 2.319 2.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
552 1 23 LEU H 1 23 LEU HB3 . . 3.600 3.580 3.414 3.699 0.099 23 0 "[ . 1 . 2 . 3 .]" 1
553 1 23 LEU H 1 23 LEU MD1 . . 5.200 3.082 2.965 3.262 . 0 0 "[ . 1 . 2 . 3 .]" 1
554 1 23 LEU H 1 23 LEU MD2 . . 5.100 3.836 3.424 4.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
555 1 23 LEU H 1 23 LEU HG . . 4.700 4.692 4.609 4.740 0.040 19 0 "[ . 1 . 2 . 3 .]" 1
556 1 23 LEU H 1 24 HIS H . . 4.200 3.949 3.699 4.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
557 1 23 LEU H 1 25 TYR H . . 4.500 4.292 4.063 4.515 0.015 12 0 "[ . 1 . 2 . 3 .]" 1
558 1 23 LEU H 1 26 LYS H . . 3.800 2.916 2.705 3.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
559 1 23 LEU H 1 26 LYS QB . . 5.400 3.640 3.246 3.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 1 23 LEU H 1 27 VAL HA . . 4.400 3.696 3.581 3.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
561 1 23 LEU H 1 28 TYR CG . . 6.000 4.954 4.687 5.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
562 1 23 LEU H 1 28 TYR CZ . . 5.800 4.973 4.442 5.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
563 1 23 LEU H 1 28 TYR H . . 4.800 4.615 4.322 4.774 . 0 0 "[ . 1 . 2 . 3 .]" 1
564 1 23 LEU HA 1 23 LEU MD1 . . 3.700 2.072 2.018 2.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
565 1 23 LEU HA 1 23 LEU HG . . 3.900 2.989 2.786 3.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
566 1 23 LEU HA 1 24 HIS H . . 2.900 2.192 2.123 2.288 . 0 0 "[ . 1 . 2 . 3 .]" 1
567 1 23 LEU HA 1 28 TYR CZ . . 7.200 6.516 6.150 6.947 . 0 0 "[ . 1 . 2 . 3 .]" 1
568 1 23 LEU HA 1 52 ALA H . . 4.400 4.191 3.848 4.472 0.072 5 0 "[ . 1 . 2 . 3 .]" 1
569 1 23 LEU HA 1 53 THR H . . 4.600 3.728 3.228 4.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
570 1 23 LEU HA 1 53 THR HA . . 3.700 2.412 2.219 2.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
571 1 23 LEU HA 1 53 THR MG . . 5.200 2.823 2.615 3.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
572 1 23 LEU HB2 1 24 HIS H . . 4.900 4.550 4.410 4.638 . 0 0 "[ . 1 . 2 . 3 .]" 1
573 1 23 LEU HB2 1 24 HIS HD2 . . 4.400 3.933 3.568 4.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
574 1 23 LEU HB2 1 28 TYR CG . . 6.200 4.025 3.786 4.320 . 0 0 "[ . 1 . 2 . 3 .]" 1
575 1 23 LEU HB2 1 28 TYR CZ . . 5.500 3.793 3.334 4.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
576 1 23 LEU HB2 1 53 THR MG . . 6.000 5.017 4.956 5.059 . 0 0 "[ . 1 . 2 . 3 .]" 1
577 1 23 LEU HB3 1 23 LEU MD1 . . 3.500 3.049 2.961 3.090 . 0 0 "[ . 1 . 2 . 3 .]" 1
578 1 23 LEU HB3 1 24 HIS H . . 4.500 3.911 3.582 4.165 . 0 0 "[ . 1 . 2 . 3 .]" 1
579 1 23 LEU HB3 1 24 HIS HD2 . . 3.900 2.396 2.254 2.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
580 1 23 LEU HB3 1 28 TYR CG . . 6.600 5.443 4.906 5.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
581 1 23 LEU HB3 1 28 TYR CZ . . 5.700 4.563 3.970 5.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
582 1 23 LEU HB3 1 53 THR MG . . 5.000 3.909 3.741 4.157 . 0 0 "[ . 1 . 2 . 3 .]" 1
583 1 23 LEU MD1 1 24 HIS H . . 5.100 3.922 3.779 4.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
584 1 23 LEU MD1 1 24 HIS QB . . 8.000 5.629 5.546 5.734 . 0 0 "[ . 1 . 2 . 3 .]" 1
585 1 23 LEU MD1 1 24 HIS HD2 . . 6.200 4.636 4.428 5.162 . 0 0 "[ . 1 . 2 . 3 .]" 1
586 1 23 LEU MD1 1 28 TYR CG . . 9.000 5.200 4.894 5.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
587 1 23 LEU MD1 1 28 TYR CZ . . 7.700 5.806 5.460 6.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
588 1 23 LEU MD1 1 52 ALA H . . 4.600 3.047 2.576 3.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
589 1 23 LEU MD1 1 52 ALA HA . . 6.700 3.945 3.807 4.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
590 1 23 LEU MD1 1 52 ALA MB . . 4.900 2.050 1.971 2.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
591 1 23 LEU MD1 1 53 THR H . . 5.800 3.223 2.891 3.450 . 0 0 "[ . 1 . 2 . 3 .]" 1
592 1 23 LEU MD1 1 53 THR HA . . 3.900 2.295 2.142 2.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
593 1 23 LEU MD1 1 53 THR MG . . 6.300 3.762 3.558 4.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
594 1 23 LEU MD1 1 54 ALA H . . 7.000 4.888 4.704 5.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
595 1 23 LEU MD1 1 55 ASN H . . 7.000 4.903 4.429 5.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
596 1 23 LEU MD1 1 56 PHE H . . 4.900 3.621 3.350 3.761 . 0 0 "[ . 1 . 2 . 3 .]" 1
597 1 23 LEU MD1 1 57 GLU H . . 6.000 4.875 4.518 5.014 . 0 0 "[ . 1 . 2 . 3 .]" 1
598 1 23 LEU MD2 1 24 HIS HD2 . . 6.000 4.409 4.108 4.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
599 1 23 LEU MD2 1 28 TYR CG . . 7.200 3.386 3.111 3.653 . 0 0 "[ . 1 . 2 . 3 .]" 1
600 1 23 LEU MD2 1 28 TYR CZ . . 6.600 4.010 3.503 4.363 . 0 0 "[ . 1 . 2 . 3 .]" 1
601 1 23 LEU MD2 1 53 THR HA . . 7.000 4.639 4.356 4.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
602 1 23 LEU MD2 1 69 SER QB . . 8.000 3.486 3.129 4.392 . 0 0 "[ . 1 . 2 . 3 .]" 1
603 1 23 LEU HG 1 24 HIS H . . 5.900 4.882 4.621 5.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
604 1 23 LEU HG 1 28 TYR CG . . 6.300 6.245 6.057 6.437 0.137 3 0 "[ . 1 . 2 . 3 .]" 1
605 1 23 LEU HG 1 28 TYR CZ . . 6.200 6.119 5.754 6.476 0.276 31 0 "[ . 1 . 2 . 3 .]" 1
606 1 23 LEU HG 1 52 ALA H . . 6.000 5.690 5.039 6.040 0.040 5 0 "[ . 1 . 2 . 3 .]" 1
607 1 24 HIS H 1 24 HIS HA . . 2.700 2.261 2.234 2.284 . 0 0 "[ . 1 . 2 . 3 .]" 1
608 1 24 HIS H 1 24 HIS HD2 . . 5.600 3.798 3.648 4.088 . 0 0 "[ . 1 . 2 . 3 .]" 1
609 1 24 HIS H 1 25 TYR H . . 3.500 2.767 2.662 2.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
610 1 24 HIS H 1 26 LYS H . . 4.900 4.016 3.814 4.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
611 1 24 HIS H 1 53 THR H . . 4.800 4.324 3.974 4.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
612 1 24 HIS H 1 53 THR HA . . 3.900 3.382 3.130 3.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
613 1 24 HIS H 1 53 THR HB . . 4.700 3.535 3.459 3.824 . 0 0 "[ . 1 . 2 . 3 .]" 1
614 1 24 HIS H 1 53 THR MG . . 4.000 2.064 1.953 2.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
615 1 24 HIS HA 1 24 HIS HD2 . . 4.300 4.342 4.283 4.402 0.102 12 0 "[ . 1 . 2 . 3 .]" 1
616 1 24 HIS HA 1 25 TYR CG . . 5.400 4.245 4.063 4.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
617 1 24 HIS HA 1 25 TYR H . . 2.800 2.612 2.458 2.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
618 1 24 HIS HA 1 26 LYS H . . 4.600 4.326 4.243 4.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
619 1 24 HIS HA 1 53 THR MG . . 4.700 2.456 2.321 2.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
620 1 24 HIS QB 1 25 TYR CG . . 9.000 4.920 4.705 5.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
621 1 24 HIS QB 1 25 TYR H . . 4.700 3.935 3.910 3.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
622 1 24 HIS QB 1 26 LYS H . . 6.200 3.884 3.507 4.144 . 0 0 "[ . 1 . 2 . 3 .]" 1
623 1 24 HIS QB 1 53 THR MG . . 6.200 3.438 3.278 3.628 . 0 0 "[ . 1 . 2 . 3 .]" 1
624 1 24 HIS HD2 1 53 THR MG . . 5.100 3.250 2.983 3.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
625 1 24 HIS HE1 1 53 THR MG . . 3.800 2.931 2.727 3.175 . 0 0 "[ . 1 . 2 . 3 .]" 1
626 1 25 TYR CG 1 26 LYS QB . . 9.000 6.414 5.645 6.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
627 1 25 TYR CG 1 77 LEU H . . 8.000 5.533 5.203 5.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
628 1 25 TYR CG 1 77 LEU QB . . 8.300 3.959 3.659 4.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
629 1 25 TYR CG 1 77 LEU MD1 . . 7.000 5.467 5.230 5.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
630 1 25 TYR CG 1 77 LEU MD2 . . 5.900 3.269 2.851 3.754 . 0 0 "[ . 1 . 2 . 3 .]" 1
631 1 25 TYR CG 1 82 ARG HA . . 7.600 6.240 5.066 6.888 . 0 0 "[ . 1 . 2 . 3 .]" 1
632 1 25 TYR CG 1 82 ARG QB . . 6.600 5.301 4.330 6.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
633 1 25 TYR CZ 1 77 LEU MD1 . . 7.700 6.638 6.336 7.126 . 0 0 "[ . 1 . 2 . 3 .]" 1
634 1 25 TYR CZ 1 77 LEU MD2 . . 6.400 4.362 3.969 4.783 . 0 0 "[ . 1 . 2 . 3 .]" 1
635 1 25 TYR CZ 1 82 ARG HA . . 6.300 5.502 3.865 6.387 0.087 8 0 "[ . 1 . 2 . 3 .]" 1
636 1 25 TYR CZ 1 82 ARG QB . . 6.300 5.120 4.059 6.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
637 1 25 TYR H 1 25 TYR HA . . 2.500 2.249 2.222 2.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
638 1 25 TYR H 1 25 TYR HB2 . . 3.800 3.702 3.612 3.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
639 1 25 TYR H 1 25 TYR HB3 . . 4.000 4.012 3.995 4.032 0.032 22 0 "[ . 1 . 2 . 3 .]" 1
640 1 25 TYR H 1 26 LYS H . . 3.300 2.805 2.722 2.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
641 1 25 TYR H 1 53 THR MG . . 6.700 3.970 3.763 4.152 . 0 0 "[ . 1 . 2 . 3 .]" 1
642 1 25 TYR H 1 77 LEU MD2 . . 6.300 4.162 3.595 4.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
643 1 25 TYR HA 1 25 TYR HB2 . . 3.100 3.035 3.019 3.050 . 0 0 "[ . 1 . 2 . 3 .]" 1
644 1 25 TYR HA 1 26 LYS H . . 3.800 3.113 2.954 3.359 . 0 0 "[ . 1 . 2 . 3 .]" 1
645 1 25 TYR HA 1 77 LEU H . . 5.200 3.846 3.508 4.110 . 0 0 "[ . 1 . 2 . 3 .]" 1
646 1 25 TYR HA 1 77 LEU MD1 . . 6.200 3.724 3.489 4.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
647 1 25 TYR HB2 1 26 LYS H . . 4.300 4.027 3.759 4.154 . 0 0 "[ . 1 . 2 . 3 .]" 1
648 1 25 TYR HB2 1 77 LEU H . . 5.400 4.429 4.201 4.763 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 1 25 TYR HB2 1 77 LEU QB . . 6.100 3.803 3.640 4.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 1 25 TYR HB2 1 77 LEU MD2 . . 6.000 4.136 3.779 4.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
651 1 25 TYR HB3 1 26 LYS H . . 4.600 4.542 4.457 4.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
652 1 25 TYR HB3 1 77 LEU H . . 4.400 3.528 3.214 3.849 . 0 0 "[ . 1 . 2 . 3 .]" 1
653 1 25 TYR HB3 1 77 LEU QB . . 5.600 2.387 2.201 2.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
654 1 25 TYR HB3 1 77 LEU MD1 . . 5.800 4.734 4.494 4.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
655 1 25 TYR HB3 1 77 LEU MD2 . . 5.700 2.724 2.347 3.317 . 0 0 "[ . 1 . 2 . 3 .]" 1
656 1 26 LYS H 1 26 LYS HD2 . . 5.200 4.876 4.062 6.069 0.869 12 4 "[ . * + . 2 .* 3- .]" 1
657 1 26 LYS H 1 26 LYS HD3 . . 6.000 5.155 4.410 5.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
658 1 26 LYS H 1 26 LYS QG . . 3.900 3.103 2.586 4.169 0.269 10 0 "[ . 1 . 2 . 3 .]" 1
659 1 26 LYS H 1 28 TYR CG . . 7.600 6.533 6.387 6.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
660 1 26 LYS H 1 28 TYR CZ . . 6.500 5.465 5.179 5.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
661 1 26 LYS QB 1 27 VAL H . . 4.600 3.235 2.968 3.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
662 1 26 LYS QB 1 28 TYR CZ . . 7.100 2.877 2.643 3.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
663 1 26 LYS QB 1 76 GLU HA . . 5.400 4.021 3.657 4.530 . 0 0 "[ . 1 . 2 . 3 .]" 1
664 1 26 LYS HD2 1 28 TYR CZ . . 7.800 4.356 3.558 5.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
665 1 26 LYS HD2 1 73 ILE MD . . 5.200 3.180 2.161 4.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
666 1 26 LYS HD3 1 26 LYS QG . . 2.800 2.344 2.132 2.571 . 0 0 "[ . 1 . 2 . 3 .]" 1
667 1 26 LYS HD3 1 28 TYR CZ . . 6.300 4.855 3.704 6.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
668 1 26 LYS HD3 1 73 ILE MD . . 4.000 2.554 2.127 3.852 . 0 0 "[ . 1 . 2 . 3 .]" 1
669 1 26 LYS QG 1 28 TYR CZ . . 7.700 4.523 2.772 5.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
670 1 26 LYS QG 1 76 GLU HA . . 4.300 3.511 2.557 4.516 0.216 13 0 "[ . 1 . 2 . 3 .]" 1
671 1 26 LYS QG 1 76 GLU QG . . 6.100 2.252 1.920 3.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
672 1 27 VAL H 1 27 VAL HB . . 3.200 2.645 2.489 2.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
673 1 27 VAL H 1 27 VAL MG1 . . 4.800 3.814 3.731 3.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
674 1 27 VAL H 1 27 VAL MG2 . . 4.000 2.171 2.053 2.353 . 0 0 "[ . 1 . 2 . 3 .]" 1
675 1 27 VAL H 1 28 TYR CG . . 8.000 5.532 5.411 5.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
676 1 27 VAL H 1 28 TYR CZ . . 8.000 5.515 5.333 5.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
677 1 27 VAL H 1 73 ILE QG . . 3.900 3.814 3.370 4.301 0.401 26 0 "[ . 1 . 2 . 3 .]" 1
678 1 27 VAL H 1 74 ILE H . . 4.500 4.395 4.217 4.507 0.007 21 0 "[ . 1 . 2 . 3 .]" 1
679 1 27 VAL H 1 74 ILE MD . . 6.100 5.061 4.926 5.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
680 1 27 VAL H 1 74 ILE HG13 . . 5.800 4.225 4.113 4.317 . 0 0 "[ . 1 . 2 . 3 .]" 1
681 1 27 VAL H 1 75 GLY H . . 4.300 3.591 3.263 3.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
682 1 27 VAL H 1 76 GLU H . . 4.300 4.353 4.251 4.443 0.143 34 0 "[ . 1 . 2 . 3 .]" 1
683 1 27 VAL H 1 76 GLU HA . . 3.600 2.478 2.269 2.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
684 1 27 VAL H 1 77 LEU H . . 4.500 4.128 3.956 4.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
685 1 27 VAL HA 1 28 TYR CG . . 6.000 4.555 4.452 4.714 . 0 0 "[ . 1 . 2 . 3 .]" 1
686 1 27 VAL HA 1 28 TYR CZ . . 6.400 5.710 5.509 6.075 . 0 0 "[ . 1 . 2 . 3 .]" 1
687 1 27 VAL HA 1 28 TYR H . . 2.600 2.173 2.122 2.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
688 1 27 VAL HA 1 74 ILE H . . 6.000 5.195 5.073 5.426 . 0 0 "[ . 1 . 2 . 3 .]" 1
689 1 27 VAL HA 1 75 GLY H . . 5.700 5.426 4.994 5.721 0.021 22 0 "[ . 1 . 2 . 3 .]" 1
690 1 27 VAL HB 1 74 ILE H . . 5.000 3.783 3.593 3.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
691 1 27 VAL HB 1 74 ILE MD . . 7.000 2.923 2.756 3.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
692 1 27 VAL HB 1 74 ILE HG13 . . 4.600 2.233 2.127 2.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
693 1 27 VAL HB 1 75 GLY H . . 4.400 3.358 2.615 3.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
694 1 27 VAL HB 1 76 GLU H . . 5.300 4.587 4.308 4.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
695 1 27 VAL HB 1 76 GLU HA . . 4.600 4.296 3.892 4.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
696 1 27 VAL MG1 1 28 TYR H . . 4.300 2.436 2.268 2.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
697 1 27 VAL MG1 1 28 TYR HA . . 5.100 4.000 3.788 4.125 . 0 0 "[ . 1 . 2 . 3 .]" 1
698 1 27 VAL MG1 1 28 TYR HB2 . . 5.800 4.562 4.465 4.685 . 0 0 "[ . 1 . 2 . 3 .]" 1
699 1 27 VAL MG1 1 29 ASP H . . 7.000 4.342 3.842 4.643 . 0 0 "[ . 1 . 2 . 3 .]" 1
700 1 27 VAL MG1 1 29 ASP HB2 . . 6.500 4.502 4.114 4.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
701 1 27 VAL MG1 1 73 ILE HA . . 7.000 5.526 5.153 5.830 . 0 0 "[ . 1 . 2 . 3 .]" 1
702 1 27 VAL MG1 1 74 ILE H . . 6.200 4.365 3.940 4.628 . 0 0 "[ . 1 . 2 . 3 .]" 1
703 1 27 VAL MG1 1 74 ILE MD . . 4.800 1.986 1.875 2.049 . 0 0 "[ . 1 . 2 . 3 .]" 1
704 1 27 VAL MG1 1 74 ILE HG12 . . 4.200 3.109 2.663 3.348 . 0 0 "[ . 1 . 2 . 3 .]" 1
705 1 27 VAL MG1 1 74 ILE HG13 . . 3.700 2.940 2.515 3.144 . 0 0 "[ . 1 . 2 . 3 .]" 1
706 1 27 VAL MG1 1 75 GLY H . . 6.200 4.685 3.942 5.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
707 1 27 VAL MG1 1 76 GLU H . . 7.000 5.674 5.421 5.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
708 1 27 VAL MG1 1 76 GLU HA . . 7.000 5.317 5.022 5.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
709 1 27 VAL MG2 1 28 TYR CG . . 8.100 6.145 6.060 6.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
710 1 27 VAL MG2 1 74 ILE H . . 7.000 5.076 4.887 5.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
711 1 27 VAL MG2 1 74 ILE MD . . 7.700 3.749 3.587 3.863 . 0 0 "[ . 1 . 2 . 3 .]" 1
712 1 27 VAL MG2 1 74 ILE HG12 . . 5.500 4.869 4.846 4.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
713 1 27 VAL MG2 1 74 ILE HG13 . . 5.800 3.893 3.785 3.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
714 1 27 VAL MG2 1 75 GLY H . . 6.200 4.336 3.901 4.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
715 1 27 VAL MG2 1 76 GLU H . . 5.100 3.691 3.486 3.879 . 0 0 "[ . 1 . 2 . 3 .]" 1
716 1 27 VAL MG2 1 76 GLU HA . . 4.200 2.732 2.359 3.017 . 0 0 "[ . 1 . 2 . 3 .]" 1
717 1 27 VAL MG2 1 77 LEU H . . 4.500 3.323 3.078 3.504 . 0 0 "[ . 1 . 2 . 3 .]" 1
718 1 27 VAL MG2 1 77 LEU HA . . 5.500 2.884 2.740 3.024 . 0 0 "[ . 1 . 2 . 3 .]" 1
719 1 27 VAL MG2 1 78 HIS H . . 5.800 4.313 4.105 4.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
720 1 28 TYR CG 1 29 ASP H . . 7.700 4.746 4.606 4.857 . 0 0 "[ . 1 . 2 . 3 .]" 1
721 1 28 TYR CG 1 30 LEU MD1 . . 6.700 3.952 3.630 4.891 . 0 0 "[ . 1 . 2 . 3 .]" 1
722 1 28 TYR CG 1 69 SER HA . . 7.300 4.632 4.310 4.894 . 0 0 "[ . 1 . 2 . 3 .]" 1
723 1 28 TYR CG 1 69 SER QB . . 8.900 3.739 3.166 5.105 . 0 0 "[ . 1 . 2 . 3 .]" 1
724 1 28 TYR CG 1 72 PHE CG . . 8.600 6.334 6.036 6.714 . 0 0 "[ . 1 . 2 . 3 .]" 1
725 1 28 TYR CG 1 72 PHE H . . 7.100 5.787 5.500 6.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
726 1 28 TYR CG 1 72 PHE QB . . 7.200 4.048 3.815 4.357 . 0 0 "[ . 1 . 2 . 3 .]" 1
727 1 28 TYR CG 1 73 ILE H . . 6.500 5.434 5.134 5.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
728 1 28 TYR CG 1 73 ILE HA . . 7.000 3.740 3.427 3.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
729 1 28 TYR CG 1 73 ILE HB . . 8.000 5.230 4.761 5.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
730 1 28 TYR CG 1 73 ILE MD . . 8.100 5.118 4.487 5.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
731 1 28 TYR CG 1 73 ILE QG . . 6.800 3.856 3.247 4.202 . 0 0 "[ . 1 . 2 . 3 .]" 1
732 1 28 TYR CG 1 73 ILE MG . . 7.700 6.046 5.660 6.234 . 0 0 "[ . 1 . 2 . 3 .]" 1
733 1 28 TYR CG 1 74 ILE H . . 8.000 4.977 4.805 5.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
734 1 28 TYR CZ 1 28 TYR H . . 6.200 5.551 5.383 5.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
735 1 28 TYR CZ 1 30 LEU MD1 . . 9.000 6.155 5.871 6.875 . 0 0 "[ . 1 . 2 . 3 .]" 1
736 1 28 TYR CZ 1 69 SER HA . . 6.300 5.012 4.572 5.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
737 1 28 TYR CZ 1 69 SER QB . . 7.600 3.182 2.668 4.315 . 0 0 "[ . 1 . 2 . 3 .]" 1
738 1 28 TYR CZ 1 72 PHE CG . . 10.000 7.967 7.650 8.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
739 1 28 TYR CZ 1 72 PHE H . . 8.000 6.177 5.803 6.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
740 1 28 TYR CZ 1 72 PHE QB . . 9.000 5.472 5.177 5.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
741 1 28 TYR CZ 1 73 ILE H . . 8.000 5.591 5.376 6.010 . 0 0 "[ . 1 . 2 . 3 .]" 1
742 1 28 TYR CZ 1 73 ILE HA . . 6.800 4.321 4.115 4.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
743 1 28 TYR CZ 1 73 ILE HB . . 7.800 4.421 4.066 4.755 . 0 0 "[ . 1 . 2 . 3 .]" 1
744 1 28 TYR CZ 1 73 ILE MD . . 7.200 3.938 3.596 4.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
745 1 28 TYR CZ 1 73 ILE QG . . 6.100 2.927 2.591 3.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
746 1 28 TYR CZ 1 73 ILE MG . . 8.000 5.477 5.048 5.821 . 0 0 "[ . 1 . 2 . 3 .]" 1
747 1 28 TYR H 1 28 TYR HB2 . . 3.100 2.535 2.465 2.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
748 1 28 TYR H 1 28 TYR HB3 . . 3.800 3.717 3.677 3.780 . 0 0 "[ . 1 . 2 . 3 .]" 1
749 1 28 TYR H 1 29 ASP H . . 4.400 4.254 4.069 4.411 0.011 23 0 "[ . 1 . 2 . 3 .]" 1
750 1 28 TYR H 1 30 LEU MD1 . . 5.500 4.411 4.051 5.248 . 0 0 "[ . 1 . 2 . 3 .]" 1
751 1 28 TYR H 1 73 ILE HA . . 5.400 5.128 4.885 5.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
752 1 28 TYR H 1 74 ILE MD . . 5.800 3.832 3.432 4.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
753 1 28 TYR H 1 74 ILE HG12 . . 4.400 3.939 3.696 4.161 . 0 0 "[ . 1 . 2 . 3 .]" 1
754 1 28 TYR HA 1 28 TYR HB3 . . 3.000 2.505 2.448 2.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
755 1 28 TYR HA 1 29 ASP H . . 2.700 2.203 2.175 2.256 . 0 0 "[ . 1 . 2 . 3 .]" 1
756 1 28 TYR HA 1 30 LEU MD1 . . 5.300 4.429 3.991 5.447 0.147 1 0 "[ . 1 . 2 . 3 .]" 1
757 1 28 TYR HA 1 30 LEU MD2 . . 6.600 5.003 4.143 5.410 . 0 0 "[ . 1 . 2 . 3 .]" 1
758 1 28 TYR HA 1 72 PHE QB . . 7.000 3.506 3.290 3.715 . 0 0 "[ . 1 . 2 . 3 .]" 1
759 1 28 TYR HA 1 73 ILE HA . . 3.500 2.723 2.359 2.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
760 1 28 TYR HA 1 74 ILE H . . 3.700 3.002 2.864 3.107 . 0 0 "[ . 1 . 2 . 3 .]" 1
761 1 28 TYR HA 1 74 ILE MD . . 6.800 3.899 3.671 4.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
762 1 28 TYR HA 1 74 ILE HG12 . . 3.900 2.691 2.432 3.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
763 1 28 TYR HB2 1 29 ASP H . . 4.600 4.382 4.246 4.459 . 0 0 "[ . 1 . 2 . 3 .]" 1
764 1 28 TYR HB2 1 30 LEU MD1 . . 4.600 2.560 2.232 3.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
765 1 28 TYR HB2 1 30 LEU MD2 . . 5.900 4.149 3.516 4.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
766 1 28 TYR HB2 1 73 ILE HA . . 6.000 5.204 4.856 5.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
767 1 28 TYR HB3 1 29 ASP H . . 3.900 3.600 3.331 3.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
768 1 28 TYR HB3 1 30 LEU MD1 . . 4.800 2.495 2.174 3.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
769 1 28 TYR HB3 1 73 ILE HA . . 5.100 4.431 4.066 4.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
770 1 29 ASP H 1 29 ASP HB2 . . 3.500 2.939 2.831 3.098 . 0 0 "[ . 1 . 2 . 3 .]" 1
771 1 29 ASP H 1 29 ASP HB3 . . 3.300 2.496 2.358 2.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
772 1 29 ASP H 1 30 LEU H . . 5.000 4.320 4.105 4.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
773 1 29 ASP H 1 30 LEU MD1 . . 4.800 4.635 4.159 5.659 0.859 1 2 "[+ . 1 .- 2 . 3 .]" 1
774 1 29 ASP H 1 72 PHE QB . . 5.900 3.337 2.954 3.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
775 1 29 ASP H 1 73 ILE HA . . 4.300 4.128 3.555 4.361 0.061 30 0 "[ . 1 . 2 . 3 .]" 1
776 1 29 ASP H 1 74 ILE H . . 4.000 3.756 3.529 3.929 . 0 0 "[ . 1 . 2 . 3 .]" 1
777 1 29 ASP H 1 74 ILE MD . . 4.900 3.187 2.769 3.647 . 0 0 "[ . 1 . 2 . 3 .]" 1
778 1 29 ASP H 1 74 ILE HG13 . . 4.700 4.259 3.883 4.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
779 1 29 ASP H 1 74 ILE MG . . 4.300 2.400 2.185 2.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
780 1 29 ASP HA 1 30 LEU H . . 2.700 2.222 2.149 2.353 . 0 0 "[ . 1 . 2 . 3 .]" 1
781 1 29 ASP HA 1 30 LEU MD1 . . 6.100 4.030 3.480 4.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
782 1 29 ASP HA 1 30 LEU MD2 . . 6.900 5.375 4.500 5.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
783 1 29 ASP HA 1 30 LEU HG . . 5.300 4.109 3.680 4.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
784 1 29 ASP HA 1 74 ILE MD . . 5.500 3.400 3.120 3.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
785 1 29 ASP HA 1 74 ILE MG . . 5.200 4.105 3.985 4.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
786 1 29 ASP HB2 1 30 LEU H . . 4.600 4.439 4.200 4.612 0.012 7 0 "[ . 1 . 2 . 3 .]" 1
787 1 29 ASP HB2 1 74 ILE MD . . 4.100 2.221 1.996 2.530 . 0 0 "[ . 1 . 2 . 3 .]" 1
788 1 29 ASP HB2 1 74 ILE HG12 . . 4.600 3.552 3.250 3.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
789 1 29 ASP HB3 1 30 LEU H . . 4.600 4.397 4.184 4.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
790 1 29 ASP HB3 1 74 ILE MD . . 4.400 3.378 2.915 3.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
791 1 29 ASP HB3 1 74 ILE MG . . 4.100 2.238 2.010 2.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
792 1 30 LEU H 1 30 LEU HA . . 2.900 2.975 2.953 2.993 0.093 28 0 "[ . 1 . 2 . 3 .]" 1
793 1 30 LEU H 1 30 LEU HB2 . . 3.300 2.732 2.582 2.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
794 1 30 LEU H 1 30 LEU HB3 . . 4.100 3.786 3.676 3.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
795 1 30 LEU H 1 30 LEU MD1 . . 4.700 2.836 2.135 3.831 . 0 0 "[ . 1 . 2 . 3 .]" 1
796 1 30 LEU H 1 30 LEU MD2 . . 5.100 4.219 3.709 4.318 . 0 0 "[ . 1 . 2 . 3 .]" 1
797 1 30 LEU H 1 30 LEU HG . . 4.100 2.993 2.469 3.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
798 1 30 LEU H 1 31 THR H . . 3.000 2.575 2.069 3.030 0.030 18 0 "[ . 1 . 2 . 3 .]" 1
799 1 30 LEU HA 1 30 LEU HB3 . . 3.000 2.382 2.264 2.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
800 1 30 LEU HA 1 30 LEU MD1 . . 3.600 3.805 3.536 4.012 0.412 26 0 "[ . 1 . 2 . 3 .]" 1
801 1 30 LEU HA 1 30 LEU HG . . 4.000 2.705 2.409 3.284 . 0 0 "[ . 1 . 2 . 3 .]" 1
802 1 30 LEU HA 1 31 THR H . . 3.800 3.219 2.926 3.565 . 0 0 "[ . 1 . 2 . 3 .]" 1
803 1 30 LEU HA 1 32 LYS H . . 4.600 3.741 3.405 4.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
804 1 30 LEU HA 1 33 PHE CG . . 7.200 4.766 4.027 5.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
805 1 30 LEU HA 1 33 PHE H . . 4.100 3.735 3.290 3.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
806 1 30 LEU HA 1 33 PHE HB2 . . 4.300 2.994 2.336 3.628 . 0 0 "[ . 1 . 2 . 3 .]" 1
807 1 30 LEU HA 1 33 PHE HB3 . . 4.100 3.386 2.643 4.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
808 1 30 LEU HB2 1 31 THR H . . 4.000 3.261 1.965 4.052 0.052 8 0 "[ . 1 . 2 . 3 .]" 1
809 1 30 LEU HB2 1 33 PHE CG . . 6.800 5.554 5.377 5.704 . 0 0 "[ . 1 . 2 . 3 .]" 1
810 1 30 LEU HB2 1 33 PHE HB2 . . 4.400 4.504 4.399 4.569 0.169 16 0 "[ . 1 . 2 . 3 .]" 1
811 1 30 LEU HB2 1 33 PHE HB3 . . 3.500 3.571 3.434 3.671 0.171 7 0 "[ . 1 . 2 . 3 .]" 1
812 1 30 LEU HB2 1 34 LEU HG . . 4.700 4.506 4.135 4.745 0.045 11 0 "[ . 1 . 2 . 3 .]" 1
813 1 30 LEU HB3 1 31 THR H . . 4.600 3.934 2.638 4.626 0.026 24 0 "[ . 1 . 2 . 3 .]" 1
814 1 30 LEU HB3 1 33 PHE CG . . 6.800 3.915 3.692 4.047 . 0 0 "[ . 1 . 2 . 3 .]" 1
815 1 30 LEU HB3 1 33 PHE HB2 . . 4.000 3.004 2.674 3.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
816 1 30 LEU HB3 1 33 PHE HB3 . . 3.000 2.092 2.037 2.156 . 0 0 "[ . 1 . 2 . 3 .]" 1
817 1 30 LEU MD1 1 31 THR H . . 6.000 4.426 3.471 5.336 . 0 0 "[ . 1 . 2 . 3 .]" 1
818 1 30 LEU MD1 1 33 PHE CG . . 6.800 5.735 5.105 6.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
819 1 30 LEU MD1 1 33 PHE CZ . . 8.700 7.126 6.054 7.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
820 1 30 LEU MD1 1 33 PHE HB2 . . 5.000 5.279 4.970 5.566 0.566 8 3 "[ *. + 1 . 2- . 3 .]" 1
821 1 30 LEU MD1 1 33 PHE HB3 . . 5.500 4.468 4.014 4.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
822 1 30 LEU MD1 1 72 PHE CG . . 6.700 5.129 4.610 5.777 . 0 0 "[ . 1 . 2 . 3 .]" 1
823 1 30 LEU MD1 1 72 PHE CZ . . 7.700 6.175 5.803 6.543 . 0 0 "[ . 1 . 2 . 3 .]" 1
824 1 30 LEU MD1 1 72 PHE QB . . 6.200 3.940 3.405 4.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
825 1 30 LEU MD1 1 72 PHE HZ . . 7.000 6.733 6.401 7.071 0.071 10 0 "[ . 1 . 2 . 3 .]" 1
826 1 30 LEU MD2 1 33 PHE CG . . 7.400 3.507 2.964 3.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
827 1 30 LEU MD2 1 33 PHE CZ . . 7.700 4.765 4.271 5.240 . 0 0 "[ . 1 . 2 . 3 .]" 1
828 1 30 LEU MD2 1 72 PHE CG . . 9.000 2.993 2.636 3.531 . 0 0 "[ . 1 . 2 . 3 .]" 1
829 1 30 LEU HG 1 31 THR H . . 5.200 4.620 4.481 4.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
830 1 31 THR H 1 31 THR HB . . 3.600 2.608 2.140 3.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
831 1 31 THR H 1 31 THR MG . . 4.800 3.213 2.050 4.070 . 0 0 "[ . 1 . 2 . 3 .]" 1
832 1 31 THR H 1 32 LYS H . . 3.700 3.111 2.554 3.779 0.079 13 0 "[ . 1 . 2 . 3 .]" 1
833 1 31 THR H 1 33 PHE H . . 4.300 3.863 3.386 4.305 0.005 7 0 "[ . 1 . 2 . 3 .]" 1
834 1 31 THR HA 1 31 THR HB . . 3.000 2.695 2.417 3.036 0.036 5 0 "[ . 1 . 2 . 3 .]" 1
835 1 31 THR HA 1 32 LYS H . . 4.900 3.548 3.476 3.606 . 0 0 "[ . 1 . 2 . 3 .]" 1
836 1 31 THR HA 1 32 LYS HA . . 4.800 4.681 4.592 4.813 0.013 34 0 "[ . 1 . 2 . 3 .]" 1
837 1 31 THR HA 1 33 PHE H . . 4.500 3.682 3.378 3.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
838 1 31 THR HA 1 34 LEU H . . 4.800 3.976 3.557 4.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
839 1 31 THR HA 1 34 LEU MD1 . . 4.100 2.638 2.215 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
840 1 31 THR HA 1 34 LEU MD2 . . 4.800 3.230 2.817 3.974 . 0 0 "[ . 1 . 2 . 3 .]" 1
841 1 31 THR HA 1 34 LEU HG . . 3.800 2.495 2.051 2.974 . 0 0 "[ . 1 . 2 . 3 .]" 1
842 1 31 THR HB 1 32 LYS H . . 3.800 3.478 2.551 3.851 0.051 15 0 "[ . 1 . 2 . 3 .]" 1
843 1 31 THR MG 1 32 LYS H . . 5.100 2.402 1.998 3.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
844 1 31 THR MG 1 32 LYS HA . . 5.500 3.483 3.201 3.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
845 1 31 THR MG 1 34 LEU HG . . 7.000 4.720 4.038 5.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
846 1 32 LYS H 1 32 LYS HB2 . . 3.300 2.372 2.153 2.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
847 1 32 LYS H 1 32 LYS HB3 . . 4.200 3.070 2.388 3.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
848 1 32 LYS H 1 32 LYS QD . . 5.400 4.058 2.684 4.813 . 0 0 "[ . 1 . 2 . 3 .]" 1
849 1 32 LYS H 1 32 LYS HG2 . . 4.300 4.367 3.237 4.702 0.402 5 0 "[ . 1 . 2 . 3 .]" 1
850 1 32 LYS H 1 32 LYS HG3 . . 4.700 3.938 2.583 4.588 . 0 0 "[ . 1 . 2 . 3 .]" 1
851 1 32 LYS H 1 33 PHE H . . 3.200 2.612 2.347 2.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
852 1 32 LYS H 1 33 PHE HB2 . . 4.800 4.068 3.715 4.357 . 0 0 "[ . 1 . 2 . 3 .]" 1
853 1 32 LYS H 1 33 PHE HB3 . . 4.400 4.856 4.820 4.902 0.502 25 1 "[ . 1 . 2 + 3 .]" 1
854 1 32 LYS H 1 34 LEU H . . 4.700 4.377 4.081 4.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
855 1 32 LYS HA 1 32 LYS HB2 . . 3.000 2.796 2.463 3.045 0.045 27 0 "[ . 1 . 2 . 3 .]" 1
856 1 32 LYS HA 1 32 LYS QD . . 4.600 3.741 2.197 4.115 . 0 0 "[ . 1 . 2 . 3 .]" 1
857 1 32 LYS HA 1 32 LYS HG2 . . 3.500 2.676 2.093 3.510 0.010 22 0 "[ . 1 . 2 . 3 .]" 1
858 1 32 LYS HA 1 32 LYS HG3 . . 3.400 2.586 2.141 3.556 0.156 2 0 "[ . 1 . 2 . 3 .]" 1
859 1 32 LYS HA 1 33 PHE H . . 3.700 3.180 2.892 3.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
860 1 32 LYS HA 1 34 LEU H . . 4.500 3.670 3.490 3.959 . 0 0 "[ . 1 . 2 . 3 .]" 1
861 1 32 LYS HB2 1 32 LYS QD . . 3.900 2.516 2.166 3.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
862 1 32 LYS HB2 1 32 LYS HG2 . . 2.600 2.935 2.494 3.058 0.458 16 0 "[ . 1 . 2 . 3 .]" 1
863 1 32 LYS HB2 1 33 PHE H . . 4.300 4.144 3.105 4.550 0.250 9 0 "[ . 1 . 2 . 3 .]" 1
864 1 32 LYS HB2 1 72 PHE CZ . . 7.200 6.819 5.283 8.163 0.963 32 4 "[ *. 1 . 2 *. - 3 + .]" 1
865 1 32 LYS HB3 1 32 LYS QE . . 4.900 4.000 2.202 4.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
866 1 32 LYS HB3 1 32 LYS HG2 . . 2.500 2.533 2.213 3.083 0.583 6 3 "[ * .+ 1 . 2 .- 3 .]" 1
867 1 33 PHE CG 1 34 LEU H . . 8.000 5.034 4.679 5.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
868 1 33 PHE CG 1 34 LEU MD2 . . 9.000 6.203 5.911 6.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
869 1 33 PHE CG 1 36 GLU H . . 7.600 4.999 4.796 5.157 . 0 0 "[ . 1 . 2 . 3 .]" 1
870 1 33 PHE CG 1 36 GLU HB2 . . 6.000 3.020 2.721 3.217 . 0 0 "[ . 1 . 2 . 3 .]" 1
871 1 33 PHE CG 1 36 GLU HB3 . . 6.300 4.030 3.704 4.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
872 1 33 PHE CG 1 37 HIS H . . 8.000 4.087 3.851 4.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
873 1 33 PHE CG 1 72 PHE CG . . 9.700 5.459 5.154 5.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
874 1 33 PHE CG 1 72 PHE CZ . . 8.600 3.460 3.305 3.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
875 1 33 PHE CG 1 72 PHE HZ . . 5.800 3.048 2.811 3.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
876 1 33 PHE H 1 33 PHE HB2 . . 3.100 2.666 2.415 2.879 . 0 0 "[ . 1 . 2 . 3 .]" 1
877 1 33 PHE H 1 33 PHE HB3 . . 3.200 2.830 2.613 3.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
878 1 33 PHE H 1 34 LEU H . . 2.800 2.198 1.977 2.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
879 1 33 PHE H 1 34 LEU QB . . 4.300 4.315 4.084 4.625 0.325 23 0 "[ . 1 . 2 . 3 .]" 1
880 1 33 PHE H 1 34 LEU MD1 . . 7.000 4.471 4.131 4.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
881 1 33 PHE H 1 34 LEU MD2 . . 7.000 4.382 3.936 4.783 . 0 0 "[ . 1 . 2 . 3 .]" 1
882 1 33 PHE H 1 34 LEU HG . . 3.500 3.262 2.868 3.622 0.122 12 0 "[ . 1 . 2 . 3 .]" 1
883 1 33 PHE HA 1 33 PHE HB2 . . 2.800 2.704 2.617 2.774 . 0 0 "[ . 1 . 2 . 3 .]" 1
884 1 33 PHE HA 1 33 PHE HB3 . . 3.000 2.971 2.950 2.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
885 1 33 PHE HA 1 34 LEU H . . 4.200 3.294 3.132 3.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
886 1 33 PHE HA 1 35 GLU H . . 5.300 4.533 4.358 4.783 . 0 0 "[ . 1 . 2 . 3 .]" 1
887 1 33 PHE HA 1 36 GLU H . . 3.500 3.181 3.020 3.298 . 0 0 "[ . 1 . 2 . 3 .]" 1
888 1 33 PHE HA 1 36 GLU HB2 . . 3.300 2.168 2.108 2.260 . 0 0 "[ . 1 . 2 . 3 .]" 1
889 1 33 PHE HA 1 36 GLU HB3 . . 3.600 3.662 3.607 3.726 0.126 16 0 "[ . 1 . 2 . 3 .]" 1
890 1 33 PHE HA 1 36 GLU HG2 . . 3.700 3.920 3.295 4.316 0.616 9 3 "[ . +1 . 2 - .* 3 .]" 1
891 1 33 PHE HA 1 37 HIS H . . 5.900 3.782 3.493 3.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
892 1 33 PHE HA 1 72 PHE CZ . . 8.000 5.128 4.395 5.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
893 1 33 PHE HA 1 72 PHE HZ . . 5.600 4.452 3.632 5.120 . 0 0 "[ . 1 . 2 . 3 .]" 1
894 1 33 PHE HB2 1 34 LEU H . . 4.200 4.303 4.019 4.352 0.152 32 0 "[ . 1 . 2 . 3 .]" 1
895 1 33 PHE HB2 1 72 PHE CG . . 8.000 4.866 4.402 5.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
896 1 33 PHE HB2 1 72 PHE CZ . . 6.500 3.235 2.874 3.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
897 1 33 PHE HB2 1 72 PHE HZ . . 3.900 3.097 2.733 3.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
898 1 33 PHE HB3 1 34 LEU H . . 4.300 3.748 3.071 3.975 . 0 0 "[ . 1 . 2 . 3 .]" 1
899 1 33 PHE HB3 1 72 PHE CG . . 7.600 5.616 5.276 6.051 . 0 0 "[ . 1 . 2 . 3 .]" 1
900 1 33 PHE HB3 1 72 PHE CZ . . 7.000 4.401 4.272 4.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
901 1 33 PHE HB3 1 72 PHE HZ . . 4.300 4.344 4.305 4.407 0.107 8 0 "[ . 1 . 2 . 3 .]" 1
902 1 33 PHE HZ 1 36 GLU HB2 . . 4.900 4.705 4.356 4.919 0.019 16 0 "[ . 1 . 2 . 3 .]" 1
903 1 34 LEU H 1 34 LEU QB . . 2.900 2.381 2.312 2.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
904 1 34 LEU H 1 34 LEU MD1 . . 4.100 3.399 3.284 3.453 . 0 0 "[ . 1 . 2 . 3 .]" 1
905 1 34 LEU H 1 34 LEU MD2 . . 4.200 3.504 3.280 3.568 . 0 0 "[ . 1 . 2 . 3 .]" 1
906 1 34 LEU H 1 34 LEU HG . . 3.000 2.220 2.111 2.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
907 1 34 LEU H 1 35 GLU H . . 3.300 2.949 2.755 3.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
908 1 34 LEU H 1 36 GLU H . . 4.600 3.877 3.679 4.305 . 0 0 "[ . 1 . 2 . 3 .]" 1
909 1 34 LEU HA 1 37 HIS H . . 4.200 3.703 3.411 3.921 . 0 0 "[ . 1 . 2 . 3 .]" 1
910 1 34 LEU QB 1 35 GLU H . . 3.300 2.210 2.098 2.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
911 1 34 LEU QB 1 41 GLU HA . . 5.000 3.232 2.369 3.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
912 1 34 LEU QB 1 41 GLU HB2 . . 3.900 2.419 2.076 4.187 0.287 28 0 "[ . 1 . 2 . 3 .]" 1
913 1 34 LEU QB 1 41 GLU HB3 . . 4.000 2.797 2.154 4.112 0.112 32 0 "[ . 1 . 2 . 3 .]" 1
914 1 34 LEU MD1 1 35 GLU H . . 5.000 4.141 4.016 4.193 . 0 0 "[ . 1 . 2 . 3 .]" 1
915 1 34 LEU MD1 1 41 GLU HA . . 7.000 4.719 3.974 5.176 . 0 0 "[ . 1 . 2 . 3 .]" 1
916 1 34 LEU MD1 1 41 GLU HB2 . . 5.500 3.735 2.876 5.120 . 0 0 "[ . 1 . 2 . 3 .]" 1
917 1 34 LEU MD1 1 41 GLU HB3 . . 6.300 4.588 3.505 5.260 . 0 0 "[ . 1 . 2 . 3 .]" 1
918 1 34 LEU MD1 1 45 ARG HA . . 5.700 4.478 4.189 4.810 . 0 0 "[ . 1 . 2 . 3 .]" 1
919 1 34 LEU MD1 1 45 ARG QB . . 6.500 3.735 2.935 4.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
920 1 34 LEU MD1 1 45 ARG QD . . 7.100 3.381 2.131 5.032 . 0 0 "[ . 1 . 2 . 3 .]" 1
921 1 34 LEU MD2 1 35 GLU H . . 5.700 4.608 4.478 4.681 . 0 0 "[ . 1 . 2 . 3 .]" 1
922 1 34 LEU MD2 1 41 GLU HA . . 5.000 3.041 2.456 3.725 . 0 0 "[ . 1 . 2 . 3 .]" 1
923 1 34 LEU MD2 1 41 GLU HB2 . . 5.100 3.361 2.344 5.080 . 0 0 "[ . 1 . 2 . 3 .]" 1
924 1 34 LEU MD2 1 41 GLU HB3 . . 7.000 3.983 3.110 4.821 . 0 0 "[ . 1 . 2 . 3 .]" 1
925 1 34 LEU MD2 1 44 LEU QB . . 6.100 2.276 1.936 3.192 . 0 0 "[ . 1 . 2 . 3 .]" 1
926 1 34 LEU MD2 1 45 ARG H . . 4.800 3.494 2.997 3.810 . 0 0 "[ . 1 . 2 . 3 .]" 1
927 1 34 LEU MD2 1 45 ARG HA . . 5.800 3.383 3.051 3.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
928 1 34 LEU MD2 1 45 ARG QB . . 6.600 3.055 2.323 4.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
929 1 34 LEU MD2 1 45 ARG QD . . 7.200 3.595 2.131 5.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
930 1 35 GLU H 1 35 GLU HB2 . . 3.600 2.635 2.046 3.601 0.001 32 0 "[ . 1 . 2 . 3 .]" 1
931 1 35 GLU H 1 35 GLU HB3 . . 3.200 3.018 2.503 3.585 0.385 21 0 "[ . 1 . 2 . 3 .]" 1
932 1 35 GLU H 1 35 GLU QG . . 4.600 2.967 1.939 3.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
933 1 35 GLU H 1 36 GLU H . . 2.700 2.633 2.507 2.713 0.013 35 0 "[ . 1 . 2 . 3 .]" 1
934 1 35 GLU H 1 37 HIS H . . 4.300 4.280 4.175 4.347 0.047 4 0 "[ . 1 . 2 . 3 .]" 1
935 1 35 GLU HA 1 35 GLU HB2 . . 2.800 2.738 2.381 3.037 0.237 8 0 "[ . 1 . 2 . 3 .]" 1
936 1 35 GLU HA 1 35 GLU HB3 . . 3.000 2.692 2.371 3.033 0.033 2 0 "[ . 1 . 2 . 3 .]" 1
937 1 35 GLU HA 1 36 GLU H . . 3.800 3.533 3.489 3.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
938 1 35 GLU HA 1 37 HIS H . . 4.600 4.431 4.253 4.606 0.006 15 0 "[ . 1 . 2 . 3 .]" 1
939 1 35 GLU HB3 1 36 GLU H . . 3.500 3.512 2.790 4.168 0.668 28 11 "[ .** -1 * **2 * + 3 ** *]" 1
940 1 36 GLU H 1 36 GLU HB2 . . 2.900 2.450 2.350 2.543 . 0 0 "[ . 1 . 2 . 3 .]" 1
941 1 36 GLU H 1 36 GLU HB3 . . 4.200 3.549 3.508 3.571 . 0 0 "[ . 1 . 2 . 3 .]" 1
942 1 36 GLU H 1 36 GLU HG2 . . 3.800 2.712 2.140 3.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
943 1 36 GLU H 1 36 GLU HG3 . . 4.100 2.608 2.046 3.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
944 1 36 GLU H 1 37 HIS H . . 2.600 2.630 2.601 2.657 0.057 24 0 "[ . 1 . 2 . 3 .]" 1
945 1 36 GLU HA 1 36 GLU HB2 . . 3.000 3.022 3.011 3.036 0.036 34 0 "[ . 1 . 2 . 3 .]" 1
946 1 36 GLU HA 1 36 GLU HB3 . . 3.000 2.478 2.427 2.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
947 1 36 GLU HA 1 36 GLU HG3 . . 4.000 3.574 3.257 3.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
948 1 36 GLU HA 1 37 HIS H . . 4.700 3.564 3.522 3.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
949 1 36 GLU HB2 1 37 HIS H . . 3.600 2.579 2.442 2.733 . 0 0 "[ . 1 . 2 . 3 .]" 1
950 1 36 GLU HB3 1 37 HIS H . . 3.900 3.673 3.510 3.840 . 0 0 "[ . 1 . 2 . 3 .]" 1
951 1 36 GLU HG2 1 37 HIS H . . 4.800 4.653 4.288 4.836 0.036 9 0 "[ . 1 . 2 . 3 .]" 1
952 1 36 GLU HG3 1 37 HIS H . . 4.800 4.413 4.159 4.714 . 0 0 "[ . 1 . 2 . 3 .]" 1
953 1 37 HIS H 1 37 HIS HA . . 2.800 2.780 2.738 2.824 0.024 16 0 "[ . 1 . 2 . 3 .]" 1
954 1 37 HIS H 1 37 HIS HB2 . . 2.600 2.573 2.443 2.631 0.031 22 0 "[ . 1 . 2 . 3 .]" 1
955 1 37 HIS H 1 37 HIS HB3 . . 2.500 2.415 2.320 2.534 0.034 2 0 "[ . 1 . 2 . 3 .]" 1
956 1 37 HIS HA 1 38 PRO HG3 . . 6.000 4.511 4.384 4.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
957 1 37 HIS HD1 1 43 VAL MG1 . . 5.500 4.117 3.358 4.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
958 1 37 HIS HD1 1 44 LEU MD2 . . 5.500 3.918 2.000 5.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
959 1 38 PRO HA 1 38 PRO HB3 . . 3.100 2.293 2.248 2.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
960 1 40 GLY H 1 41 GLU H . . 5.700 3.878 3.291 4.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
961 1 40 GLY HA2 1 41 GLU H . . 3.500 2.237 2.108 2.789 . 0 0 "[ . 1 . 2 . 3 .]" 1
962 1 40 GLY HA2 1 42 ALA H . . 6.000 4.301 3.417 5.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
963 1 40 GLY HA3 1 41 GLU H . . 3.400 3.206 2.353 3.518 0.118 4 0 "[ . 1 . 2 . 3 .]" 1
964 1 40 GLY HA3 1 42 ALA H . . 6.000 4.197 3.549 5.303 . 0 0 "[ . 1 . 2 . 3 .]" 1
965 1 40 GLY HA3 1 43 VAL H . . 6.000 3.711 2.645 5.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
966 1 41 GLU H 1 41 GLU HB2 . . 3.600 3.509 2.605 3.617 0.017 12 0 "[ . 1 . 2 . 3 .]" 1
967 1 41 GLU H 1 41 GLU HB3 . . 3.600 2.643 2.327 3.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
968 1 41 GLU HA 1 42 ALA H . . 5.400 3.157 2.094 3.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
969 1 41 GLU HA 1 43 VAL H . . 6.000 4.583 4.137 4.869 . 0 0 "[ . 1 . 2 . 3 .]" 1
970 1 41 GLU HA 1 44 LEU H . . 4.600 3.603 3.095 4.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
971 1 41 GLU HA 1 44 LEU QB . . 5.200 2.880 2.325 3.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
972 1 41 GLU HA 1 44 LEU HG . . 5.200 4.941 3.823 5.290 0.090 28 0 "[ . 1 . 2 . 3 .]" 1
973 1 41 GLU HA 1 45 ARG H . . 5.900 4.102 3.787 4.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
974 1 41 GLU HB2 1 42 ALA H . . 4.000 3.712 2.440 4.322 0.322 28 0 "[ . 1 . 2 . 3 .]" 1
975 1 41 GLU HB3 1 42 ALA H . . 4.300 3.949 2.275 4.355 0.055 17 0 "[ . 1 . 2 . 3 .]" 1
976 1 41 GLU HB3 1 42 ALA MB . . 7.000 5.351 3.944 5.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
977 1 42 ALA H 1 42 ALA MB . . 3.500 2.412 2.195 2.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
978 1 42 ALA H 1 43 VAL H . . 5.100 2.859 2.343 3.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
979 1 42 ALA H 1 44 LEU H . . 6.000 3.902 2.479 4.674 . 0 0 "[ . 1 . 2 . 3 .]" 1
980 1 42 ALA H 1 45 ARG H . . 6.000 4.141 2.642 4.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
981 1 42 ALA HA 1 43 VAL H . . 4.200 3.613 3.565 3.654 . 0 0 "[ . 1 . 2 . 3 .]" 1
982 1 42 ALA HA 1 44 LEU H . . 5.900 4.751 4.457 5.105 . 0 0 "[ . 1 . 2 . 3 .]" 1
983 1 42 ALA HA 1 45 ARG H . . 3.800 3.466 3.195 3.804 0.004 25 0 "[ . 1 . 2 . 3 .]" 1
984 1 42 ALA HA 1 45 ARG QB . . 4.200 2.693 2.270 3.777 . 0 0 "[ . 1 . 2 . 3 .]" 1
985 1 42 ALA HA 1 45 ARG QD . . 6.600 4.768 2.672 5.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
986 1 42 ALA HA 1 45 ARG QG . . 5.000 4.160 2.186 4.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
987 1 42 ALA HA 1 46 ALA H . . 4.600 3.938 3.736 4.147 . 0 0 "[ . 1 . 2 . 3 .]" 1
988 1 42 ALA MB 1 43 VAL H . . 3.500 2.365 1.980 2.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
989 1 42 ALA MB 1 43 VAL HA . . 5.400 3.835 3.702 3.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
990 1 43 VAL H 1 43 VAL HB . . 3.500 2.555 2.248 3.574 0.074 35 0 "[ . 1 . 2 . 3 .]" 1
991 1 43 VAL H 1 43 VAL MG2 . . 4.700 3.341 2.132 3.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
992 1 43 VAL H 1 44 LEU H . . 3.400 2.875 2.550 3.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
993 1 43 VAL H 1 45 ARG H . . 4.400 4.076 3.731 4.323 . 0 0 "[ . 1 . 2 . 3 .]" 1
994 1 43 VAL H 1 46 ALA H . . 6.000 4.664 4.531 4.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
995 1 43 VAL H 1 46 ALA MB . . 6.100 4.551 4.387 4.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
996 1 43 VAL HA 1 43 VAL HB . . 3.100 2.580 2.254 3.047 . 0 0 "[ . 1 . 2 . 3 .]" 1
997 1 43 VAL HA 1 43 VAL MG2 . . 3.700 2.367 2.148 3.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
998 1 43 VAL HA 1 44 LEU H . . 4.500 3.690 3.572 3.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
999 1 43 VAL HA 1 46 ALA H . . 3.900 3.342 3.078 3.737 . 0 0 "[ . 1 . 2 . 3 .]" 1
1000 1 43 VAL HA 1 46 ALA MB . . 3.500 2.517 2.283 2.809 . 0 0 "[ . 1 . 2 . 3 .]" 1
1001 1 43 VAL HB 1 44 LEU H . . 4.700 3.730 2.480 4.301 . 0 0 "[ . 1 . 2 . 3 .]" 1
1002 1 43 VAL MG1 1 44 LEU H . . 6.800 2.579 2.004 3.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
1003 1 43 VAL MG2 1 44 LEU H . . 7.000 3.749 1.993 4.174 . 0 0 "[ . 1 . 2 . 3 .]" 1
1004 1 44 LEU H 1 44 LEU HG . . 4.100 3.425 2.095 4.185 0.085 8 0 "[ . 1 . 2 . 3 .]" 1
1005 1 44 LEU H 1 45 ARG H . . 3.100 2.790 2.552 2.912 . 0 0 "[ . 1 . 2 . 3 .]" 1
1006 1 44 LEU H 1 45 ARG QB . . 5.100 4.502 4.293 4.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
1007 1 44 LEU H 1 46 ALA H . . 4.600 4.331 4.009 4.634 0.034 22 0 "[ . 1 . 2 . 3 .]" 1
1008 1 44 LEU HA 1 44 LEU HG . . 3.700 2.765 2.078 3.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
1009 1 44 LEU HA 1 45 ARG H . . 3.900 3.548 3.495 3.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
1010 1 44 LEU HA 1 47 GLN H . . 5.200 3.774 3.487 4.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
1011 1 44 LEU HA 1 47 GLN HB3 . . 4.600 4.456 4.034 4.695 0.095 3 0 "[ . 1 . 2 . 3 .]" 1
1012 1 44 LEU QB 1 45 ARG H . . 4.500 2.845 2.581 3.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
1013 1 44 LEU HG 1 45 ARG H . . 5.300 4.855 3.553 5.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
1014 1 45 ARG H 1 45 ARG HA . . 3.000 2.887 2.830 2.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
1015 1 45 ARG H 1 45 ARG QB . . 3.400 2.179 2.078 2.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
1016 1 45 ARG H 1 45 ARG QG . . 5.000 3.820 2.601 4.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
1017 1 45 ARG H 1 46 ALA H . . 3.200 2.513 2.321 2.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
1018 1 45 ARG H 1 46 ALA MB . . 4.900 4.122 4.018 4.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
1019 1 45 ARG H 1 47 GLN H . . 5.800 4.195 3.985 4.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
1020 1 45 ARG HA 1 46 ALA H . . 3.800 3.547 3.470 3.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
1021 1 45 ARG HA 1 47 GLN H . . 4.800 4.644 4.345 4.847 0.047 35 0 "[ . 1 . 2 . 3 .]" 1
1022 1 45 ARG HA 1 48 ALA H . . 3.900 3.388 3.134 3.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
1023 1 45 ARG HA 1 48 ALA MB . . 3.500 2.298 2.092 2.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
1024 1 45 ARG QB 1 46 ALA H . . 4.400 2.735 2.430 3.535 . 0 0 "[ . 1 . 2 . 3 .]" 1
1025 1 45 ARG QB 1 46 ALA HA . . 5.200 4.089 3.684 4.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
1026 1 45 ARG QG 1 46 ALA H . . 6.700 4.066 2.251 4.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
1027 1 46 ALA H 1 46 ALA HA . . 3.100 2.860 2.814 2.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
1028 1 46 ALA H 1 46 ALA MB . . 3.500 2.164 2.072 2.224 . 0 0 "[ . 1 . 2 . 3 .]" 1
1029 1 46 ALA H 1 47 GLN H . . 2.900 2.682 2.536 2.786 . 0 0 "[ . 1 . 2 . 3 .]" 1
1030 1 46 ALA H 1 47 GLN HB2 . . 4.600 4.548 4.334 4.622 0.022 25 0 "[ . 1 . 2 . 3 .]" 1
1031 1 46 ALA H 1 48 ALA H . . 6.000 3.725 3.526 3.907 . 0 0 "[ . 1 . 2 . 3 .]" 1
1032 1 46 ALA HA 1 47 GLN H . . 3.700 3.605 3.556 3.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
1033 1 46 ALA HA 1 48 ALA H . . 4.300 4.020 3.701 4.306 0.006 27 0 "[ . 1 . 2 . 3 .]" 1
1034 1 46 ALA MB 1 47 GLN H . . 3.500 2.464 2.324 2.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
1035 1 46 ALA MB 1 47 GLN HG2 . . 5.300 3.992 3.064 5.136 . 0 0 "[ . 1 . 2 . 3 .]" 1
1036 1 46 ALA MB 1 48 ALA H . . 5.300 4.217 4.121 4.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
1037 1 47 GLN H 1 47 GLN HA . . 3.100 2.912 2.859 2.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
1038 1 47 GLN H 1 47 GLN HB2 . . 3.400 2.113 2.008 2.208 . 0 0 "[ . 1 . 2 . 3 .]" 1
1039 1 47 GLN H 1 47 GLN HB3 . . 3.400 3.418 3.269 3.479 0.079 13 0 "[ . 1 . 2 . 3 .]" 1
1040 1 47 GLN H 1 47 GLN HG2 . . 4.100 3.329 2.470 4.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
1041 1 47 GLN H 1 47 GLN HG3 . . 3.900 3.952 3.652 4.128 0.228 27 0 "[ . 1 . 2 . 3 .]" 1
1042 1 47 GLN H 1 48 ALA H . . 2.600 2.561 2.335 2.628 0.028 34 0 "[ . 1 . 2 . 3 .]" 1
1043 1 47 GLN H 1 48 ALA HA . . 5.100 5.004 4.849 5.132 0.032 33 0 "[ . 1 . 2 . 3 .]" 1
1044 1 47 GLN H 1 48 ALA MB . . 5.400 4.239 4.024 4.356 . 0 0 "[ . 1 . 2 . 3 .]" 1
1045 1 47 GLN HA 1 47 GLN HB3 . . 3.000 2.677 2.550 2.844 . 0 0 "[ . 1 . 2 . 3 .]" 1
1046 1 47 GLN HA 1 47 GLN HG2 . . 3.400 3.065 2.480 3.629 0.229 30 0 "[ . 1 . 2 . 3 .]" 1
1047 1 47 GLN HA 1 47 GLN HG3 . . 4.000 3.180 2.304 3.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
1048 1 47 GLN HA 1 48 ALA H . . 3.700 3.440 3.373 3.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
1049 1 47 GLN HA 1 52 ALA MB . . 5.800 3.785 3.257 4.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
1050 1 47 GLN HB2 1 47 GLN HG2 . . 2.600 2.511 2.410 2.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
1051 1 47 GLN HB2 1 48 ALA H . . 3.400 3.405 3.143 3.482 0.082 22 0 "[ . 1 . 2 . 3 .]" 1
1052 1 47 GLN HB2 1 52 ALA MB . . 5.400 3.365 3.048 3.682 . 0 0 "[ . 1 . 2 . 3 .]" 1
1053 1 47 GLN HB3 1 47 GLN HG3 . . 2.500 2.452 2.378 2.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
1054 1 47 GLN HB3 1 48 ALA H . . 4.600 3.888 3.611 4.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
1055 1 47 GLN HB3 1 52 ALA HA . . 6.000 3.760 3.053 4.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
1056 1 47 GLN HB3 1 52 ALA MB . . 4.700 2.065 1.949 2.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
1057 1 47 GLN HG2 1 52 ALA MB . . 6.400 3.748 2.465 4.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
1058 1 47 GLN HG2 1 55 ASN HB2 . . 5.500 3.959 2.329 5.276 . 0 0 "[ . 1 . 2 . 3 .]" 1
1059 1 47 GLN HG3 1 52 ALA HA . . 4.800 3.788 2.833 4.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
1060 1 47 GLN HG3 1 52 ALA MB . . 3.900 3.093 2.428 3.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
1061 1 48 ALA H 1 48 ALA MB . . 3.500 2.215 2.104 2.291 . 0 0 "[ . 1 . 2 . 3 .]" 1
1062 1 48 ALA H 1 49 GLY H . . 5.000 4.631 4.598 4.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
1063 1 48 ALA HA 1 49 GLY H . . 2.500 2.272 2.202 2.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
1064 1 48 ALA HA 1 49 GLY HA2 . . 4.700 4.462 4.350 4.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
1065 1 48 ALA HA 1 50 GLY H . . 3.900 3.772 3.413 3.928 0.028 21 0 "[ . 1 . 2 . 3 .]" 1
1066 1 48 ALA MB 1 49 GLY H . . 3.900 2.705 2.412 3.061 . 0 0 "[ . 1 . 2 . 3 .]" 1
1067 1 48 ALA MB 1 49 GLY HA2 . . 5.700 4.137 3.683 4.481 . 0 0 "[ . 1 . 2 . 3 .]" 1
1068 1 48 ALA MB 1 49 GLY HA3 . . 5.100 4.020 3.785 4.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
1069 1 48 ALA MB 1 50 GLY H . . 5.800 4.710 4.482 4.844 . 0 0 "[ . 1 . 2 . 3 .]" 1
1070 1 49 GLY H 1 49 GLY HA3 . . 3.000 2.903 2.744 3.021 0.021 23 0 "[ . 1 . 2 . 3 .]" 1
1071 1 49 GLY H 1 50 GLY H . . 3.200 2.780 2.156 3.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
1072 1 49 GLY HA2 1 50 GLY H . . 3.800 3.086 2.546 3.627 . 0 0 "[ . 1 . 2 . 3 .]" 1
1073 1 49 GLY HA3 1 50 GLY H . . 3.800 3.333 2.832 3.668 . 0 0 "[ . 1 . 2 . 3 .]" 1
1074 1 50 GLY H 1 50 GLY HA3 . . 3.100 2.857 2.636 3.024 . 0 0 "[ . 1 . 2 . 3 .]" 1
1075 1 50 GLY H 1 51 ASP H . . 4.500 3.910 1.993 4.367 . 0 0 "[ . 1 . 2 . 3 .]" 1
1076 1 50 GLY HA2 1 51 ASP H . . 3.100 2.659 2.430 3.206 0.106 8 0 "[ . 1 . 2 . 3 .]" 1
1077 1 50 GLY HA3 1 51 ASP H . . 3.700 2.764 2.242 3.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
1078 1 50 GLY HA3 1 51 ASP HB3 . . 5.100 5.107 4.473 6.022 0.922 35 6 "[ * * *. * - . 3 +]" 1
1079 1 51 ASP H 1 51 ASP HB3 . . 3.200 3.022 2.391 3.723 0.523 25 1 "[ . 1 . 2 + 3 .]" 1
1080 1 52 ALA H 1 52 ALA MB . . 3.500 2.513 2.397 2.744 . 0 0 "[ . 1 . 2 . 3 .]" 1
1081 1 52 ALA H 1 53 THR H . . 6.000 2.194 2.029 2.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
1082 1 52 ALA H 1 53 THR HA . . 4.400 4.242 3.948 4.418 0.018 31 0 "[ . 1 . 2 . 3 .]" 1
1083 1 52 ALA H 1 53 THR HB . . 4.700 4.605 4.412 4.742 0.042 10 0 "[ . 1 . 2 . 3 .]" 1
1084 1 52 ALA H 1 53 THR MG . . 7.000 5.179 4.903 5.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
1085 1 52 ALA HA 1 53 THR H . . 4.900 3.150 2.858 3.366 . 0 0 "[ . 1 . 2 . 3 .]" 1
1086 1 52 ALA HA 1 53 THR HA . . 4.900 4.799 4.705 4.919 0.019 10 0 "[ . 1 . 2 . 3 .]" 1
1087 1 52 ALA HA 1 54 ALA H . . 4.900 4.106 3.766 4.319 . 0 0 "[ . 1 . 2 . 3 .]" 1
1088 1 52 ALA HA 1 55 ASN H . . 4.700 3.099 2.876 3.270 . 0 0 "[ . 1 . 2 . 3 .]" 1
1089 1 52 ALA HA 1 55 ASN HB2 . . 3.200 2.734 2.316 3.463 0.263 13 0 "[ . 1 . 2 . 3 .]" 1
1090 1 52 ALA HA 1 56 PHE H . . 4.100 3.928 3.713 4.156 0.056 3 0 "[ . 1 . 2 . 3 .]" 1
1091 1 52 ALA MB 1 53 THR H . . 5.200 3.540 3.275 3.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
1092 1 52 ALA MB 1 53 THR HA . . 5.600 4.141 4.024 4.274 . 0 0 "[ . 1 . 2 . 3 .]" 1
1093 1 52 ALA MB 1 54 ALA H . . 6.100 4.996 4.808 5.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
1094 1 52 ALA MB 1 55 ASN H . . 5.000 4.022 3.646 4.193 . 0 0 "[ . 1 . 2 . 3 .]" 1
1095 1 52 ALA MB 1 55 ASN HB2 . . 7.000 3.096 2.444 4.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
1096 1 52 ALA MB 1 56 PHE H . . 4.000 3.370 3.341 3.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
1097 1 53 THR H 1 53 THR HB . . 3.400 2.568 2.477 2.756 . 0 0 "[ . 1 . 2 . 3 .]" 1
1098 1 53 THR H 1 53 THR MG . . 4.500 3.726 3.641 3.758 . 0 0 "[ . 1 . 2 . 3 .]" 1
1099 1 53 THR H 1 54 ALA H . . 5.200 2.760 2.487 3.155 . 0 0 "[ . 1 . 2 . 3 .]" 1
1100 1 53 THR H 1 55 ASN H . . 4.200 4.058 3.677 4.258 0.058 21 0 "[ . 1 . 2 . 3 .]" 1
1101 1 53 THR HA 1 53 THR MG . . 3.600 2.282 2.204 2.360 . 0 0 "[ . 1 . 2 . 3 .]" 1
1102 1 53 THR HA 1 54 ALA H . . 4.200 3.585 3.553 3.602 . 0 0 "[ . 1 . 2 . 3 .]" 1
1103 1 53 THR HA 1 55 ASN H . . 6.000 4.507 4.075 4.741 . 0 0 "[ . 1 . 2 . 3 .]" 1
1104 1 53 THR HA 1 56 PHE H . . 4.100 3.744 3.572 3.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
1105 1 53 THR HA 1 57 GLU H . . 4.800 3.939 3.836 4.038 . 0 0 "[ . 1 . 2 . 3 .]" 1
1106 1 53 THR HB 1 54 ALA H . . 3.100 2.427 2.332 2.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
1107 1 53 THR HB 1 54 ALA MB . . 6.200 3.884 3.743 4.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
1108 1 53 THR MG 1 54 ALA H . . 4.700 3.443 3.276 3.628 . 0 0 "[ . 1 . 2 . 3 .]" 1
1109 1 53 THR MG 1 54 ALA HA . . 5.600 3.722 3.504 3.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
1110 1 53 THR MG 1 55 ASN H . . 7.000 5.158 4.933 5.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
1111 1 53 THR MG 1 56 PHE QB . . 6.100 3.880 3.598 4.062 . 0 0 "[ . 1 . 2 . 3 .]" 1
1112 1 53 THR MG 1 57 GLU H . . 5.800 4.152 3.902 4.306 . 0 0 "[ . 1 . 2 . 3 .]" 1
1113 1 53 THR MG 1 57 GLU HA . . 7.000 5.568 5.285 5.786 . 0 0 "[ . 1 . 2 . 3 .]" 1
1114 1 53 THR MG 1 57 GLU HB2 . . 5.900 4.533 4.063 5.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
1115 1 53 THR MG 1 57 GLU HB3 . . 7.000 4.332 3.336 5.223 . 0 0 "[ . 1 . 2 . 3 .]" 1
1116 1 53 THR MG 1 57 GLU QG . . 4.300 2.867 2.519 3.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
1117 1 54 ALA H 1 54 ALA HA . . 3.000 2.832 2.819 2.844 . 0 0 "[ . 1 . 2 . 3 .]" 1
1118 1 54 ALA H 1 54 ALA MB . . 3.500 2.216 2.129 2.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
1119 1 54 ALA H 1 55 ASN H . . 3.500 2.768 2.658 2.905 . 0 0 "[ . 1 . 2 . 3 .]" 1
1120 1 54 ALA H 1 56 PHE H . . 4.400 4.413 4.311 4.435 0.035 19 0 "[ . 1 . 2 . 3 .]" 1
1121 1 54 ALA HA 1 55 ASN H . . 3.700 3.578 3.517 3.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
1122 1 54 ALA HA 1 56 PHE H . . 4.900 4.758 4.578 4.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
1123 1 54 ALA HA 1 57 GLU H . . 4.100 3.697 3.606 3.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
1124 1 54 ALA HA 1 57 GLU HA . . 5.700 5.716 5.564 5.775 0.075 26 0 "[ . 1 . 2 . 3 .]" 1
1125 1 54 ALA HA 1 57 GLU HB2 . . 5.300 3.899 2.657 5.083 . 0 0 "[ . 1 . 2 . 3 .]" 1
1126 1 54 ALA HA 1 57 GLU HB3 . . 4.700 4.391 4.219 4.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
1127 1 54 ALA HA 1 58 ALA H . . 5.200 3.757 3.569 3.994 . 0 0 "[ . 1 . 2 . 3 .]" 1
1128 1 54 ALA MB 1 55 ASN H . . 3.500 2.583 2.368 2.817 . 0 0 "[ . 1 . 2 . 3 .]" 1
1129 1 54 ALA MB 1 56 PHE H . . 7.000 4.706 4.611 4.808 . 0 0 "[ . 1 . 2 . 3 .]" 1
1130 1 55 ASN H 1 55 ASN HA . . 3.100 2.856 2.799 2.924 . 0 0 "[ . 1 . 2 . 3 .]" 1
1131 1 55 ASN H 1 55 ASN HB2 . . 3.300 2.265 2.064 2.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
1132 1 55 ASN H 1 55 ASN HB3 . . 3.600 3.276 2.718 3.615 0.015 32 0 "[ . 1 . 2 . 3 .]" 1
1133 1 55 ASN H 1 56 PHE H . . 3.200 2.703 2.410 2.958 . 0 0 "[ . 1 . 2 . 3 .]" 1
1134 1 55 ASN H 1 57 GLU H . . 6.000 4.249 3.987 4.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
1135 1 55 ASN H 1 58 ALA MB . . 5.300 4.437 4.381 4.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
1136 1 55 ASN HA 1 55 ASN HB3 . . 3.100 2.790 2.412 3.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
1137 1 55 ASN HA 1 55 ASN HD21 . . 4.600 3.191 2.273 4.297 . 0 0 "[ . 1 . 2 . 3 .]" 1
1138 1 55 ASN HA 1 56 PHE H . . 3.700 3.569 3.521 3.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
1139 1 55 ASN HA 1 57 GLU H . . 6.000 4.702 4.554 4.986 . 0 0 "[ . 1 . 2 . 3 .]" 1
1140 1 55 ASN HA 1 58 ALA H . . 4.100 3.593 3.226 4.075 . 0 0 "[ . 1 . 2 . 3 .]" 1
1141 1 55 ASN HA 1 58 ALA MB . . 3.500 2.454 2.287 2.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
1142 1 55 ASN HB2 1 55 ASN HD22 . . 4.300 3.813 3.502 4.120 . 0 0 "[ . 1 . 2 . 3 .]" 1
1143 1 55 ASN HB2 1 56 PHE H . . 3.500 2.977 2.379 3.730 0.230 13 0 "[ . 1 . 2 . 3 .]" 1
1144 1 55 ASN HB3 1 56 PHE H . . 3.800 2.925 2.377 3.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
1145 1 56 PHE H 1 57 GLU H . . 3.100 2.901 2.782 3.057 . 0 0 "[ . 1 . 2 . 3 .]" 1
1146 1 56 PHE H 1 57 GLU QG . . 4.300 4.476 4.155 4.670 0.370 24 0 "[ . 1 . 2 . 3 .]" 1
1147 1 56 PHE H 1 58 ALA H . . 4.600 4.224 4.067 4.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
1148 1 56 PHE QB 1 57 GLU H . . 6.900 2.374 2.278 2.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
1149 1 57 GLU H 1 57 GLU HA . . 3.100 2.849 2.818 2.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
1150 1 57 GLU H 1 57 GLU HB2 . . 3.600 3.002 2.301 3.628 0.028 6 0 "[ . 1 . 2 . 3 .]" 1
1151 1 57 GLU H 1 57 GLU HB3 . . 3.100 3.014 2.446 3.575 0.475 31 0 "[ . 1 . 2 . 3 .]" 1
1152 1 57 GLU H 1 57 GLU QG . . 3.500 2.255 2.078 2.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
1153 1 57 GLU H 1 58 ALA H . . 2.900 2.703 2.573 2.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
1154 1 57 GLU H 1 58 ALA HA . . 5.400 5.306 5.163 5.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
1155 1 57 GLU H 1 58 ALA MB . . 5.300 4.327 4.225 4.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
1156 1 57 GLU H 1 59 VAL H . . 4.800 4.348 4.151 4.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
1157 1 57 GLU HA 1 57 GLU HB2 . . 3.000 2.688 2.328 3.037 0.037 20 0 "[ . 1 . 2 . 3 .]" 1
1158 1 57 GLU HA 1 57 GLU HB3 . . 2.900 2.468 2.370 2.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
1159 1 57 GLU HA 1 58 ALA H . . 3.800 3.572 3.521 3.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
1160 1 57 GLU HA 1 59 VAL H . . 4.600 4.306 3.707 4.609 0.009 30 0 "[ . 1 . 2 . 3 .]" 1
1161 1 57 GLU HA 1 60 GLY H . . 5.000 3.312 2.819 4.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
1162 1 57 GLU HA 1 61 HIS H . . 6.000 4.826 3.187 5.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
1163 1 57 GLU HB2 1 58 ALA H . . 3.900 3.345 2.448 4.022 0.122 18 0 "[ . 1 . 2 . 3 .]" 1
1164 1 57 GLU HB3 1 58 ALA H . . 4.000 3.831 3.396 4.050 0.050 25 0 "[ . 1 . 2 . 3 .]" 1
1165 1 57 GLU QG 1 58 ALA H . . 5.800 3.164 2.112 4.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
1166 1 58 ALA H 1 58 ALA HA . . 2.900 2.777 2.681 2.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
1167 1 58 ALA H 1 58 ALA MB . . 3.500 2.236 2.165 2.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
1168 1 58 ALA H 1 59 VAL H . . 3.300 2.911 2.747 3.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
1169 1 58 ALA HA 1 59 VAL H . . 4.300 3.591 3.546 3.625 . 0 0 "[ . 1 . 2 . 3 .]" 1
1170 1 58 ALA HA 1 60 GLY H . . 5.000 4.462 3.790 4.832 . 0 0 "[ . 1 . 2 . 3 .]" 1
1171 1 58 ALA MB 1 59 VAL H . . 3.700 2.559 2.386 2.870 . 0 0 "[ . 1 . 2 . 3 .]" 1
1172 1 59 VAL H 1 60 GLY H . . 3.400 2.750 2.418 3.453 0.053 11 0 "[ . 1 . 2 . 3 .]" 1
1173 1 60 GLY H 1 61 HIS H . . 5.000 3.964 2.565 4.573 . 0 0 "[ . 1 . 2 . 3 .]" 1
1174 1 60 GLY HA2 1 61 HIS H . . 4.800 2.663 2.143 3.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
1175 1 60 GLY HA3 1 61 HIS H . . 5.600 2.893 2.387 3.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
1176 1 61 HIS HA 1 62 SER H . . 4.100 2.305 2.107 3.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
1177 1 62 SER H 1 62 SER HB2 . . 3.800 2.644 2.132 3.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
1178 1 62 SER H 1 62 SER HB3 . . 3.600 3.129 2.383 3.761 0.161 35 0 "[ . 1 . 2 . 3 .]" 1
1179 1 62 SER H 1 63 THR H . . 6.000 4.580 4.230 4.682 . 0 0 "[ . 1 . 2 . 3 .]" 1
1180 1 62 SER H 1 65 ALA H . . 6.000 3.842 3.129 4.276 . 0 0 "[ . 1 . 2 . 3 .]" 1
1181 1 62 SER H 1 65 ALA MB . . 7.000 2.605 2.226 3.187 . 0 0 "[ . 1 . 2 . 3 .]" 1
1182 1 62 SER HA 1 63 THR H . . 3.900 2.560 2.399 2.736 . 0 0 "[ . 1 . 2 . 3 .]" 1
1183 1 62 SER HA 1 63 THR HA . . 4.800 4.360 4.228 4.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
1184 1 62 SER HB2 1 63 THR H . . 4.600 3.397 2.129 3.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
1185 1 62 SER HB2 1 65 ALA H . . 6.000 3.797 2.619 4.802 . 0 0 "[ . 1 . 2 . 3 .]" 1
1186 1 62 SER HB3 1 63 THR H . . 5.000 2.745 2.196 3.850 . 0 0 "[ . 1 . 2 . 3 .]" 1
1187 1 62 SER HB3 1 65 ALA H . . 6.000 3.759 2.661 5.024 . 0 0 "[ . 1 . 2 . 3 .]" 1
1188 1 63 THR H 1 63 THR HA . . 3.100 2.800 2.686 2.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
1189 1 63 THR H 1 63 THR HB . . 4.000 3.292 2.661 3.629 . 0 0 "[ . 1 . 2 . 3 .]" 1
1190 1 63 THR H 1 64 ASP H . . 3.700 2.848 2.607 3.111 . 0 0 "[ . 1 . 2 . 3 .]" 1
1191 1 63 THR H 1 65 ALA H . . 4.300 4.234 3.776 4.395 0.095 29 0 "[ . 1 . 2 . 3 .]" 1
1192 1 63 THR HA 1 64 ASP H . . 3.800 3.561 3.528 3.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
1193 1 63 THR HA 1 65 ALA H . . 4.700 4.450 4.151 4.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
1194 1 63 THR HA 1 66 ARG H . . 3.400 3.315 3.137 3.450 0.050 9 0 "[ . 1 . 2 . 3 .]" 1
1195 1 63 THR HA 1 66 ARG HB3 . . 3.600 3.655 2.232 4.398 0.798 9 4 "[ * . +1 * - . 3 .]" 1
1196 1 63 THR HA 1 66 ARG QD . . 4.100 3.064 2.089 4.473 0.373 22 0 "[ . 1 . 2 . 3 .]" 1
1197 1 63 THR HA 1 66 ARG HG2 . . 4.800 3.969 2.060 4.869 0.069 34 0 "[ . 1 . 2 . 3 .]" 1
1198 1 63 THR HA 1 66 ARG HG3 . . 6.000 3.975 2.053 5.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
1199 1 63 THR HA 1 67 GLU H . . 4.100 4.108 3.935 4.177 0.077 15 0 "[ . 1 . 2 . 3 .]" 1
1200 1 63 THR HB 1 64 ASP H . . 3.600 2.936 2.352 3.379 . 0 0 "[ . 1 . 2 . 3 .]" 1
1201 1 63 THR HB 1 67 GLU H . . 5.400 5.165 4.890 5.459 0.059 14 0 "[ . 1 . 2 . 3 .]" 1
1202 1 64 ASP H 1 64 ASP HA . . 3.000 2.756 2.684 2.821 . 0 0 "[ . 1 . 2 . 3 .]" 1
1203 1 64 ASP H 1 64 ASP HB2 . . 3.100 2.198 2.082 2.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
1204 1 64 ASP H 1 64 ASP HB3 . . 3.300 2.966 2.588 3.371 0.071 9 0 "[ . 1 . 2 . 3 .]" 1
1205 1 64 ASP HA 1 64 ASP HB2 . . 2.800 2.702 2.505 3.085 0.285 9 0 "[ . 1 . 2 . 3 .]" 1
1206 1 64 ASP HA 1 64 ASP HB3 . . 3.100 3.022 2.504 3.096 . 0 0 "[ . 1 . 2 . 3 .]" 1
1207 1 64 ASP HA 1 65 ALA H . . 3.800 3.539 3.488 3.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
1208 1 64 ASP HA 1 67 GLU H . . 3.600 3.591 3.478 3.654 0.054 35 0 "[ . 1 . 2 . 3 .]" 1
1209 1 64 ASP HA 1 67 GLU HB2 . . 4.000 2.776 2.523 2.900 . 0 0 "[ . 1 . 2 . 3 .]" 1
1210 1 64 ASP HA 1 67 GLU HB3 . . 4.100 4.137 3.904 4.201 0.101 6 0 "[ . 1 . 2 . 3 .]" 1
1211 1 64 ASP HA 1 68 LEU H . . 5.100 3.915 3.701 4.041 . 0 0 "[ . 1 . 2 . 3 .]" 1
1212 1 64 ASP HB2 1 65 ALA H . . 3.300 3.422 2.404 3.528 0.228 23 0 "[ . 1 . 2 . 3 .]" 1
1213 1 64 ASP HB2 1 65 ALA HA . . 6.000 5.474 4.430 5.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
1214 1 64 ASP HB3 1 65 ALA H . . 3.400 2.489 2.073 3.485 0.085 9 0 "[ . 1 . 2 . 3 .]" 1
1215 1 65 ALA H 1 66 ARG H . . 3.400 2.700 2.428 2.986 . 0 0 "[ . 1 . 2 . 3 .]" 1
1216 1 65 ALA H 1 67 GLU H . . 4.000 4.020 3.873 4.087 0.087 26 0 "[ . 1 . 2 . 3 .]" 1
1217 1 65 ALA H 1 68 LEU HB3 . . 5.300 4.880 4.738 5.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
1218 1 65 ALA HA 1 66 ARG H . . 4.600 3.599 3.545 3.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
1219 1 65 ALA HA 1 67 GLU H . . 6.000 4.189 4.085 4.334 . 0 0 "[ . 1 . 2 . 3 .]" 1
1220 1 65 ALA HA 1 68 LEU H . . 4.000 3.356 3.241 3.669 . 0 0 "[ . 1 . 2 . 3 .]" 1
1221 1 65 ALA HA 1 68 LEU HB2 . . 3.700 3.158 2.835 3.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
1222 1 65 ALA HA 1 68 LEU HB3 . . 3.700 2.331 2.165 2.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
1223 1 65 ALA HA 1 68 LEU MD2 . . 4.900 3.469 2.811 3.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
1224 1 65 ALA HA 1 69 SER H . . 4.600 3.654 3.342 4.274 . 0 0 "[ . 1 . 2 . 3 .]" 1
1225 1 65 ALA MB 1 66 ARG H . . 4.300 2.556 2.435 2.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
1226 1 66 ARG H 1 66 ARG HB2 . . 3.100 2.495 2.000 3.644 0.544 9 3 "[ . +1 - * . 3 .]" 1
1227 1 66 ARG H 1 66 ARG HB3 . . 3.600 3.282 2.113 3.628 0.028 27 0 "[ . 1 . 2 . 3 .]" 1
1228 1 66 ARG H 1 66 ARG QD . . 3.700 3.440 2.555 3.791 0.091 30 0 "[ . 1 . 2 . 3 .]" 1
1229 1 66 ARG H 1 66 ARG HG2 . . 4.700 3.611 2.016 4.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
1230 1 66 ARG H 1 66 ARG HG3 . . 5.100 3.365 2.000 4.505 . 0 0 "[ . 1 . 2 . 3 .]" 1
1231 1 66 ARG H 1 67 GLU H . . 3.100 2.666 2.468 2.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
1232 1 66 ARG H 1 67 GLU HB2 . . 4.500 4.525 4.502 4.552 0.052 21 0 "[ . 1 . 2 . 3 .]" 1
1233 1 66 ARG H 1 68 LEU H . . 5.400 4.181 4.003 4.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
1234 1 66 ARG HA 1 66 ARG QD . . 4.500 3.445 2.181 4.502 0.002 20 0 "[ . 1 . 2 . 3 .]" 1
1235 1 66 ARG HA 1 67 GLU H . . 4.200 3.544 3.401 3.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
1236 1 66 ARG HA 1 69 SER H . . 6.000 3.926 3.570 4.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
1237 1 66 ARG HA 1 69 SER QB . . 7.000 3.401 2.889 3.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
1238 1 66 ARG HB2 1 66 ARG QD . . 3.500 2.553 2.142 3.523 0.023 19 0 "[ . 1 . 2 . 3 .]" 1
1239 1 66 ARG HB2 1 67 GLU H . . 4.300 3.229 2.596 4.303 0.003 28 0 "[ . 1 . 2 . 3 .]" 1
1240 1 66 ARG HB3 1 66 ARG QD . . 3.900 2.838 2.241 3.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
1241 1 66 ARG HB3 1 67 GLU H . . 4.000 3.568 2.744 4.249 0.249 9 0 "[ . 1 . 2 . 3 .]" 1
1242 1 66 ARG QD 1 66 ARG HG2 . . 2.700 2.396 2.089 2.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
1243 1 66 ARG HG3 1 67 GLU H . . 6.000 4.603 2.617 5.141 . 0 0 "[ . 1 . 2 . 3 .]" 1
1244 1 67 GLU H 1 67 GLU HA . . 3.000 2.933 2.897 2.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
1245 1 67 GLU H 1 67 GLU HB2 . . 3.000 2.105 2.018 2.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
1246 1 67 GLU H 1 67 GLU HB3 . . 3.500 3.450 3.370 3.544 0.044 9 0 "[ . 1 . 2 . 3 .]" 1
1247 1 67 GLU H 1 67 GLU HG2 . . 3.600 3.071 2.467 3.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
1248 1 67 GLU H 1 67 GLU HG3 . . 3.800 3.804 3.645 3.897 0.097 13 0 "[ . 1 . 2 . 3 .]" 1
1249 1 67 GLU H 1 68 LEU H . . 3.000 2.408 2.322 2.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
1250 1 67 GLU H 1 68 LEU HA . . 5.000 5.040 4.986 5.074 0.074 31 0 "[ . 1 . 2 . 3 .]" 1
1251 1 67 GLU H 1 68 LEU HB2 . . 4.600 4.576 4.439 4.658 0.058 15 0 "[ . 1 . 2 . 3 .]" 1
1252 1 67 GLU H 1 68 LEU HB3 . . 4.400 4.432 4.249 4.489 0.089 18 0 "[ . 1 . 2 . 3 .]" 1
1253 1 67 GLU H 1 69 SER H . . 5.600 4.135 4.010 4.262 . 0 0 "[ . 1 . 2 . 3 .]" 1
1254 1 67 GLU HA 1 67 GLU HB2 . . 2.900 2.972 2.959 2.992 0.092 9 0 "[ . 1 . 2 . 3 .]" 1
1255 1 67 GLU HA 1 67 GLU HB3 . . 2.800 2.684 2.501 2.756 . 0 0 "[ . 1 . 2 . 3 .]" 1
1256 1 67 GLU HA 1 67 GLU HG2 . . 3.500 2.504 2.315 3.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
1257 1 67 GLU HA 1 67 GLU HG3 . . 3.700 3.586 3.515 3.708 0.008 8 0 "[ . 1 . 2 . 3 .]" 1
1258 1 67 GLU HA 1 68 LEU H . . 3.900 3.548 3.457 3.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
1259 1 67 GLU HA 1 69 SER H . . 6.000 4.687 4.517 4.846 . 0 0 "[ . 1 . 2 . 3 .]" 1
1260 1 67 GLU HA 1 70 LYS H . . 4.500 3.380 3.013 3.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
1261 1 67 GLU HB2 1 67 GLU HG2 . . 2.800 2.615 2.401 2.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
1262 1 67 GLU HB2 1 67 GLU HG3 . . 2.900 2.347 2.281 2.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
1263 1 67 GLU HB2 1 68 LEU H . . 3.100 2.748 2.449 2.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
1264 1 67 GLU HB2 1 68 LEU HB2 . . 5.200 4.552 4.263 4.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
1265 1 67 GLU HB3 1 67 GLU HG2 . . 3.100 3.044 3.010 3.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
1266 1 67 GLU HB3 1 67 GLU HG3 . . 3.000 2.593 2.400 2.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
1267 1 67 GLU HB3 1 68 LEU H . . 3.500 3.288 3.031 3.547 0.047 2 0 "[ . 1 . 2 . 3 .]" 1
1268 1 68 LEU H 1 68 LEU HA . . 3.000 2.763 2.692 2.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
1269 1 68 LEU H 1 68 LEU HB2 . . 2.900 2.358 2.237 2.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
1270 1 68 LEU H 1 68 LEU HB3 . . 3.300 2.477 2.388 2.553 . 0 0 "[ . 1 . 2 . 3 .]" 1
1271 1 68 LEU H 1 68 LEU MD1 . . 5.300 4.095 3.951 4.223 . 0 0 "[ . 1 . 2 . 3 .]" 1
1272 1 68 LEU H 1 68 LEU MD2 . . 5.300 4.130 4.018 4.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
1273 1 68 LEU H 1 68 LEU HG . . 4.500 4.484 4.409 4.527 0.027 18 0 "[ . 1 . 2 . 3 .]" 1
1274 1 68 LEU H 1 69 SER H . . 3.100 2.880 2.673 3.069 . 0 0 "[ . 1 . 2 . 3 .]" 1
1275 1 68 LEU H 1 70 LYS H . . 6.000 4.276 4.073 4.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
1276 1 68 LEU HA 1 68 LEU HB2 . . 2.700 2.452 2.369 2.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
1277 1 68 LEU HA 1 68 LEU HB3 . . 3.000 3.007 2.988 3.020 0.020 6 0 "[ . 1 . 2 . 3 .]" 1
1278 1 68 LEU HA 1 68 LEU MD1 . . 3.900 2.115 2.041 2.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
1279 1 68 LEU HA 1 68 LEU MD2 . . 4.500 3.459 3.006 3.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
1280 1 68 LEU HA 1 68 LEU HG . . 4.100 3.691 3.576 3.807 . 0 0 "[ . 1 . 2 . 3 .]" 1
1281 1 68 LEU HA 1 69 SER H . . 4.000 3.562 3.482 3.654 . 0 0 "[ . 1 . 2 . 3 .]" 1
1282 1 68 LEU HA 1 70 LYS H . . 4.700 4.371 4.047 4.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
1283 1 68 LEU HA 1 71 THR H . . 5.000 3.300 3.107 3.637 . 0 0 "[ . 1 . 2 . 3 .]" 1
1284 1 68 LEU HB2 1 68 LEU MD2 . . 3.600 2.186 2.110 2.276 . 0 0 "[ . 1 . 2 . 3 .]" 1
1285 1 68 LEU HB2 1 69 SER H . . 4.000 3.725 3.635 3.852 . 0 0 "[ . 1 . 2 . 3 .]" 1
1286 1 68 LEU HB2 1 72 PHE CZ . . 8.000 7.501 7.001 8.126 0.126 28 0 "[ . 1 . 2 . 3 .]" 1
1287 1 68 LEU HB3 1 68 LEU MD1 . . 3.500 3.025 2.942 3.062 . 0 0 "[ . 1 . 2 . 3 .]" 1
1288 1 68 LEU HB3 1 68 LEU MD2 . . 3.600 2.765 2.528 2.976 . 0 0 "[ . 1 . 2 . 3 .]" 1
1289 1 68 LEU HB3 1 69 SER H . . 3.600 2.323 2.214 2.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
1290 1 68 LEU HB3 1 72 PHE CG . . 8.000 6.720 6.343 7.103 . 0 0 "[ . 1 . 2 . 3 .]" 1
1291 1 68 LEU HB3 1 72 PHE CZ . . 8.000 7.110 6.633 7.638 . 0 0 "[ . 1 . 2 . 3 .]" 1
1292 1 68 LEU MD1 1 69 SER H . . 4.300 3.679 3.609 3.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
1293 1 68 LEU MD1 1 71 THR H . . 5.300 3.759 3.592 4.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
1294 1 68 LEU MD1 1 71 THR HB . . 7.000 2.597 2.306 2.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
1295 1 68 LEU MD1 1 72 PHE CZ . . 6.800 3.400 3.041 3.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
1296 1 68 LEU MD1 1 72 PHE HZ . . 5.500 3.644 3.312 4.262 . 0 0 "[ . 1 . 2 . 3 .]" 1
1297 1 68 LEU MD2 1 69 SER H . . 6.900 4.609 4.307 4.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
1298 1 68 LEU MD2 1 69 SER HA . . 7.000 5.667 5.331 5.844 . 0 0 "[ . 1 . 2 . 3 .]" 1
1299 1 68 LEU MD2 1 72 PHE CZ . . 6.800 4.955 4.369 5.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
1300 1 68 LEU MD2 1 72 PHE HZ . . 7.000 4.861 4.228 5.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
1301 1 68 LEU HG 1 69 SER H . . 4.800 3.675 3.292 4.126 . 0 0 "[ . 1 . 2 . 3 .]" 1
1302 1 68 LEU HG 1 72 PHE CG . . 7.200 5.325 4.770 5.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
1303 1 68 LEU HG 1 72 PHE CZ . . 5.600 5.145 4.532 5.825 0.225 29 0 "[ . 1 . 2 . 3 .]" 1
1304 1 69 SER H 1 70 LYS H . . 3.600 3.131 2.951 3.308 . 0 0 "[ . 1 . 2 . 3 .]" 1
1305 1 69 SER H 1 70 LYS QG . . 5.300 4.983 4.488 5.539 0.239 22 0 "[ . 1 . 2 . 3 .]" 1
1306 1 69 SER H 1 72 PHE CG . . 8.000 6.310 6.045 6.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
1307 1 69 SER HA 1 70 LYS H . . 3.700 3.630 3.546 3.688 . 0 0 "[ . 1 . 2 . 3 .]" 1
1308 1 69 SER HA 1 72 PHE CG . . 5.400 4.295 4.018 4.735 . 0 0 "[ . 1 . 2 . 3 .]" 1
1309 1 69 SER HA 1 72 PHE CZ . . 6.200 6.289 5.942 6.570 0.370 34 0 "[ . 1 . 2 . 3 .]" 1
1310 1 69 SER HA 1 72 PHE H . . 5.000 3.365 3.173 3.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
1311 1 69 SER HA 1 72 PHE QB . . 7.000 2.627 2.291 3.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
1312 1 69 SER QB 1 70 LYS H . . 6.300 3.125 2.284 3.601 . 0 0 "[ . 1 . 2 . 3 .]" 1
1313 1 70 LYS H 1 70 LYS QB . . 3.600 2.420 2.092 2.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
1314 1 70 LYS H 1 70 LYS QG . . 3.100 2.427 1.997 2.807 . 0 0 "[ . 1 . 2 . 3 .]" 1
1315 1 70 LYS H 1 71 THR H . . 3.100 2.816 2.641 3.014 . 0 0 "[ . 1 . 2 . 3 .]" 1
1316 1 70 LYS HA 1 70 LYS QG . . 3.200 2.394 2.141 2.857 . 0 0 "[ . 1 . 2 . 3 .]" 1
1317 1 70 LYS HA 1 71 THR H . . 4.400 3.568 3.513 3.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
1318 1 70 LYS HA 1 72 PHE H . . 4.400 3.820 3.568 4.058 . 0 0 "[ . 1 . 2 . 3 .]" 1
1319 1 70 LYS HA 1 73 ILE H . . 4.400 3.165 3.069 3.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
1320 1 70 LYS HA 1 73 ILE HB . . 4.800 2.143 2.052 2.209 . 0 0 "[ . 1 . 2 . 3 .]" 1
1321 1 70 LYS HA 1 73 ILE MD . . 6.700 3.539 2.802 4.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
1322 1 70 LYS HA 1 73 ILE QG . . 3.000 3.444 3.020 3.574 0.574 28 23 "[****** * 1* *.* **2** * *+*-*** *]" 1
1323 1 70 LYS HA 1 73 ILE MG . . 5.800 3.358 2.973 3.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
1324 1 70 LYS QB 1 71 THR H . . 5.300 2.801 2.637 3.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
1325 1 71 THR H 1 71 THR HA . . 3.000 2.885 2.850 2.916 . 0 0 "[ . 1 . 2 . 3 .]" 1
1326 1 71 THR H 1 71 THR HB . . 3.300 2.299 2.114 2.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
1327 1 71 THR H 1 72 PHE CG . . 6.800 5.609 5.220 5.888 . 0 0 "[ . 1 . 2 . 3 .]" 1
1328 1 71 THR H 1 72 PHE CZ . . 8.000 7.319 6.598 7.814 . 0 0 "[ . 1 . 2 . 3 .]" 1
1329 1 71 THR H 1 72 PHE H . . 3.000 2.609 2.496 2.681 . 0 0 "[ . 1 . 2 . 3 .]" 1
1330 1 71 THR H 1 73 ILE H . . 3.900 3.957 3.920 3.982 0.082 21 0 "[ . 1 . 2 . 3 .]" 1
1331 1 71 THR HA 1 71 THR MG . . 3.500 2.650 2.360 2.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
1332 1 71 THR HA 1 72 PHE H . . 3.400 3.445 3.405 3.470 0.070 10 0 "[ . 1 . 2 . 3 .]" 1
1333 1 71 THR HA 1 73 ILE H . . 5.600 3.769 3.670 3.958 . 0 0 "[ . 1 . 2 . 3 .]" 1
1334 1 71 THR HB 1 72 PHE CG . . 6.200 5.046 4.154 5.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
1335 1 71 THR HB 1 72 PHE H . . 4.200 3.359 3.019 3.641 . 0 0 "[ . 1 . 2 . 3 .]" 1
1336 1 71 THR MG 1 72 PHE CG . . 7.100 4.084 3.667 4.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
1337 1 71 THR MG 1 72 PHE CZ . . 7.200 4.451 4.059 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
1338 1 71 THR MG 1 72 PHE H . . 6.800 3.645 3.055 4.163 . 0 0 "[ . 1 . 2 . 3 .]" 1
1339 1 71 THR MG 1 72 PHE HZ . . 6.000 4.909 4.491 5.061 . 0 0 "[ . 1 . 2 . 3 .]" 1
1340 1 72 PHE H 1 73 ILE H . . 2.900 2.317 1.984 2.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
1341 1 72 PHE H 1 73 ILE HA . . 5.300 4.601 4.392 4.780 . 0 0 "[ . 1 . 2 . 3 .]" 1
1342 1 72 PHE H 1 73 ILE HB . . 4.700 4.034 3.622 4.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
1343 1 72 PHE H 1 73 ILE MD . . 7.000 5.874 5.810 5.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
1344 1 72 PHE H 1 73 ILE QG . . 5.300 5.300 4.907 5.513 0.213 2 0 "[ . 1 . 2 . 3 .]" 1
1345 1 72 PHE QB 1 73 ILE H . . 4.900 3.499 3.253 3.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
1346 1 73 ILE H 1 73 ILE HB . . 2.500 2.201 2.029 2.267 . 0 0 "[ . 1 . 2 . 3 .]" 1
1347 1 73 ILE H 1 73 ILE MD . . 5.300 4.291 4.175 4.378 . 0 0 "[ . 1 . 2 . 3 .]" 1
1348 1 73 ILE H 1 73 ILE QG . . 4.600 3.743 3.558 3.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
1349 1 73 ILE H 1 73 ILE MG . . 3.900 2.736 2.545 2.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
1350 1 73 ILE H 1 74 ILE H . . 5.100 4.604 4.521 4.662 . 0 0 "[ . 1 . 2 . 3 .]" 1
1351 1 73 ILE HA 1 73 ILE MD . . 4.300 3.299 2.358 3.688 . 0 0 "[ . 1 . 2 . 3 .]" 1
1352 1 73 ILE HA 1 73 ILE QG . . 3.700 2.173 2.104 2.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
1353 1 73 ILE HA 1 74 ILE H . . 2.700 2.199 2.149 2.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
1354 1 73 ILE HA 1 74 ILE HA . . 5.700 4.490 4.458 4.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
1355 1 73 ILE HA 1 74 ILE MD . . 6.700 5.191 5.046 5.352 . 0 0 "[ . 1 . 2 . 3 .]" 1
1356 1 73 ILE HA 1 74 ILE HG12 . . 4.000 3.756 3.604 3.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
1357 1 73 ILE HA 1 74 ILE HG13 . . 4.500 4.499 4.325 4.537 0.037 4 0 "[ . 1 . 2 . 3 .]" 1
1358 1 73 ILE HA 1 74 ILE MG . . 7.000 4.016 3.867 4.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
1359 1 73 ILE HA 1 75 GLY H . . 4.200 3.643 3.405 3.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
1360 1 73 ILE HB 1 73 ILE QG . . 2.600 2.203 2.113 2.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
1361 1 73 ILE HB 1 74 ILE H . . 4.500 4.446 4.392 4.505 0.005 6 0 "[ . 1 . 2 . 3 .]" 1
1362 1 73 ILE MD 1 74 ILE H . . 6.100 3.719 2.061 4.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
1363 1 73 ILE MD 1 75 GLY H . . 5.400 3.186 1.829 4.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
1364 1 73 ILE MD 1 75 GLY HA2 . . 7.000 3.726 2.615 4.313 . 0 0 "[ . 1 . 2 . 3 .]" 1
1365 1 73 ILE MD 1 75 GLY HA3 . . 4.900 4.832 3.656 5.593 0.693 6 4 "[ * .+ -* . 2 . 3 .]" 1
1366 1 73 ILE QG 1 74 ILE H . . 4.300 3.000 2.608 3.688 . 0 0 "[ . 1 . 2 . 3 .]" 1
1367 1 73 ILE QG 1 75 GLY H . . 4.500 2.874 2.048 4.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
1368 1 73 ILE MG 1 74 ILE H . . 4.300 3.610 3.501 3.659 . 0 0 "[ . 1 . 2 . 3 .]" 1
1369 1 73 ILE MG 1 75 GLY H . . 6.600 3.443 2.934 4.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
1370 1 74 ILE H 1 74 ILE HB . . 3.700 3.677 3.646 3.702 0.002 34 0 "[ . 1 . 2 . 3 .]" 1
1371 1 74 ILE H 1 74 ILE MD . . 4.400 3.716 3.684 3.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
1372 1 74 ILE H 1 74 ILE HG12 . . 3.400 2.145 2.071 2.229 . 0 0 "[ . 1 . 2 . 3 .]" 1
1373 1 74 ILE H 1 74 ILE HG13 . . 3.400 2.411 2.253 2.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
1374 1 74 ILE H 1 74 ILE MG . . 4.600 3.001 2.872 3.163 . 0 0 "[ . 1 . 2 . 3 .]" 1
1375 1 74 ILE H 1 75 GLY H . . 2.800 2.086 1.995 2.161 . 0 0 "[ . 1 . 2 . 3 .]" 1
1376 1 74 ILE HA 1 74 ILE HB . . 3.000 2.519 2.476 2.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
1377 1 74 ILE HA 1 74 ILE MG . . 3.500 2.179 2.124 2.249 . 0 0 "[ . 1 . 2 . 3 .]" 1
1378 1 74 ILE HA 1 75 GLY H . . 4.300 3.467 3.349 3.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
1379 1 74 ILE HB 1 74 ILE MD . . 3.500 2.332 2.240 2.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
1380 1 74 ILE HB 1 75 GLY H . . 4.100 4.010 3.709 4.142 0.042 4 0 "[ . 1 . 2 . 3 .]" 1
1381 1 74 ILE MD 1 75 GLY H . . 5.500 4.275 3.827 4.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
1382 1 74 ILE HG12 1 75 GLY H . . 3.800 3.594 3.112 3.885 0.085 18 0 "[ . 1 . 2 . 3 .]" 1
1383 1 74 ILE HG13 1 75 GLY H . . 4.000 2.652 2.103 3.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
1384 1 74 ILE MG 1 75 GLY H . . 6.300 4.288 4.138 4.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
1385 1 75 GLY H 1 76 GLU H . . 4.200 4.194 4.097 4.241 0.041 2 0 "[ . 1 . 2 . 3 .]" 1
1386 1 75 GLY HA2 1 76 GLU H . . 3.000 2.931 2.654 3.108 0.108 18 0 "[ . 1 . 2 . 3 .]" 1
1387 1 75 GLY HA2 1 76 GLU QB . . 4.700 4.058 3.771 4.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
1388 1 75 GLY HA3 1 76 GLU H . . 3.100 2.253 2.150 2.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
1389 1 76 GLU H 1 76 GLU QB . . 3.300 2.530 2.355 2.733 . 0 0 "[ . 1 . 2 . 3 .]" 1
1390 1 76 GLU HA 1 77 LEU H . . 3.100 2.359 2.245 2.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
1391 1 76 GLU QB 1 77 LEU H . . 3.600 2.441 2.303 3.054 . 0 0 "[ . 1 . 2 . 3 .]" 1
1392 1 76 GLU QG 1 77 LEU H . . 5.100 2.969 1.938 3.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
1393 1 77 LEU H 1 77 LEU MD1 . . 5.400 4.153 3.945 4.295 . 0 0 "[ . 1 . 2 . 3 .]" 1
1394 1 77 LEU H 1 77 LEU MD2 . . 5.000 4.085 3.980 4.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
1395 1 77 LEU H 1 77 LEU HG . . 5.300 4.361 4.287 4.450 . 0 0 "[ . 1 . 2 . 3 .]" 1
1396 1 77 LEU H 1 78 HIS H . . 4.600 4.585 4.543 4.619 0.019 22 0 "[ . 1 . 2 . 3 .]" 1
1397 1 77 LEU H 1 82 ARG HE . . 6.000 5.241 4.827 5.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
1398 1 77 LEU HA 1 77 LEU MD1 . . 3.700 2.316 2.144 2.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
1399 1 77 LEU HA 1 78 HIS H . . 2.900 2.200 2.147 2.238 . 0 0 "[ . 1 . 2 . 3 .]" 1
1400 1 77 LEU HA 1 78 HIS HB2 . . 5.000 4.321 4.259 4.372 . 0 0 "[ . 1 . 2 . 3 .]" 1
1401 1 77 LEU HA 1 78 HIS HB3 . . 5.300 4.970 4.845 5.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
1402 1 77 LEU QB 1 78 HIS H . . 5.500 3.758 3.717 3.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
1403 1 77 LEU MD1 1 78 HIS H . . 3.900 2.756 2.173 3.187 . 0 0 "[ . 1 . 2 . 3 .]" 1
1404 1 77 LEU MD1 1 81 ASP H . . 5.400 4.407 3.910 4.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
1405 1 77 LEU MD1 1 81 ASP HA . . 5.700 4.669 4.445 4.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
1406 1 77 LEU MD1 1 81 ASP HB2 . . 4.800 2.846 2.461 3.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
1407 1 77 LEU MD2 1 78 HIS H . . 5.200 4.366 4.228 4.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
1408 1 77 LEU MD2 1 81 ASP H . . 5.300 4.268 3.920 4.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
1409 1 77 LEU MD2 1 81 ASP HA . . 6.000 4.669 4.467 4.929 . 0 0 "[ . 1 . 2 . 3 .]" 1
1410 1 77 LEU MD2 1 81 ASP HB2 . . 7.000 3.820 3.561 4.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
1411 1 77 LEU MD2 1 81 ASP HB3 . . 4.100 2.492 2.202 3.288 . 0 0 "[ . 1 . 2 . 3 .]" 1
1412 1 77 LEU MD2 1 82 ARG HA . . 4.100 3.280 2.861 3.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
1413 1 77 LEU MD2 1 82 ARG HE . . 5.200 2.720 2.132 3.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
1414 1 77 LEU HG 1 78 HIS H . . 4.500 2.850 2.630 3.154 . 0 0 "[ . 1 . 2 . 3 .]" 1
1415 1 77 LEU HG 1 81 ASP H . . 4.500 3.944 3.832 4.014 . 0 0 "[ . 1 . 2 . 3 .]" 1
1416 1 77 LEU HG 1 81 ASP HB3 . . 3.800 2.321 2.142 2.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
1417 1 77 LEU HG 1 82 ARG H . . 5.900 3.834 3.259 4.709 . 0 0 "[ . 1 . 2 . 3 .]" 1
1418 1 77 LEU HG 1 82 ARG HE . . 5.800 3.267 2.431 3.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
1419 1 78 HIS H 1 78 HIS HA . . 3.100 2.788 2.737 2.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
1420 1 78 HIS H 1 78 HIS HB2 . . 3.100 2.196 2.141 2.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
1421 1 78 HIS H 1 78 HIS HB3 . . 3.500 2.836 2.712 2.891 . 0 0 "[ . 1 . 2 . 3 .]" 1
1422 1 78 HIS H 1 78 HIS HD2 . . 5.300 4.373 4.257 4.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
1423 1 78 HIS HA 1 78 HIS HD2 . . 4.100 2.995 2.633 3.135 . 0 0 "[ . 1 . 2 . 3 .]" 1
1424 1 78 HIS HA 1 79 PRO QG . . 4.400 3.967 3.951 3.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
1425 1 78 HIS HA 1 80 ASP H . . 5.300 3.789 3.748 3.830 . 0 0 "[ . 1 . 2 . 3 .]" 1
1426 1 78 HIS HA 1 81 ASP HB3 . . 5.700 5.272 4.583 5.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
1427 1 78 HIS HA 1 82 ARG HE . . 6.000 4.986 4.576 5.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
1428 1 78 HIS HB2 1 78 HIS HD2 . . 3.800 2.696 2.648 2.862 . 0 0 "[ . 1 . 2 . 3 .]" 1
1429 1 78 HIS HB2 1 80 ASP H . . 4.200 4.236 4.141 4.303 0.103 12 0 "[ . 1 . 2 . 3 .]" 1
1430 1 78 HIS HB3 1 80 ASP H . . 4.200 2.879 2.764 3.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
1431 1 78 HIS HB3 1 81 ASP H . . 3.500 2.849 2.696 3.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
1432 1 78 HIS HE1 1 79 PRO QG . . 5.500 4.052 3.594 4.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
1433 1 78 HIS HE1 1 80 ASP H . . 4.000 3.995 3.897 4.028 0.028 30 0 "[ . 1 . 2 . 3 .]" 1
1434 1 78 HIS HE1 1 80 ASP HA . . 5.300 5.266 5.084 5.323 0.023 33 0 "[ . 1 . 2 . 3 .]" 1
1435 1 78 HIS HE1 1 80 ASP HB2 . . 3.700 2.953 2.588 4.048 0.348 21 0 "[ . 1 . 2 . 3 .]" 1
1436 1 78 HIS HE1 1 80 ASP HB3 . . 4.000 3.807 2.633 4.003 0.003 2 0 "[ . 1 . 2 . 3 .]" 1
1437 1 78 HIS HE1 1 81 ASP H . . 6.000 6.006 5.801 6.053 0.053 12 0 "[ . 1 . 2 . 3 .]" 1
1438 1 79 PRO HA 1 80 ASP H . . 4.100 3.419 3.338 3.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
1439 1 79 PRO HA 1 81 ASP H . . 4.200 3.864 3.677 4.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
1440 1 79 PRO HA 1 82 ARG H . . 4.100 3.474 3.096 4.134 0.034 35 0 "[ . 1 . 2 . 3 .]" 1
1441 1 79 PRO HA 1 82 ARG QB . . 4.300 3.355 2.266 4.674 0.374 23 0 "[ . 1 . 2 . 3 .]" 1
1442 1 79 PRO HA 1 82 ARG HE . . 3.800 2.610 2.402 2.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
1443 1 79 PRO QB 1 80 ASP H . . 3.800 3.730 3.584 3.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
1444 1 79 PRO QB 1 80 ASP HA . . 4.500 4.392 4.217 4.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
1445 1 79 PRO QB 1 82 ARG HE . . 3.900 4.151 3.879 4.304 0.404 28 0 "[ . 1 . 2 . 3 .]" 1
1446 1 79 PRO QG 1 80 ASP H . . 5.500 3.180 2.839 3.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
1447 1 79 PRO QG 1 80 ASP HB2 . . 7.000 4.179 3.764 5.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
1448 1 80 ASP H 1 80 ASP HA . . 3.100 2.926 2.886 2.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
1449 1 80 ASP H 1 80 ASP HB2 . . 3.700 2.611 2.381 3.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
1450 1 80 ASP H 1 80 ASP HB3 . . 3.100 2.601 2.386 2.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
1451 1 80 ASP H 1 81 ASP H . . 3.000 2.401 2.272 2.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
1452 1 80 ASP H 1 81 ASP HA . . 6.000 5.059 4.755 5.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
1453 1 80 ASP H 1 81 ASP HB2 . . 5.300 4.730 4.181 4.967 . 0 0 "[ . 1 . 2 . 3 .]" 1
1454 1 80 ASP H 1 82 ARG H . . 4.400 4.199 3.974 4.435 0.035 35 0 "[ . 1 . 2 . 3 .]" 1
1455 1 80 ASP HA 1 80 ASP HB2 . . 3.100 2.517 2.220 2.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
1456 1 80 ASP HA 1 80 ASP HB3 . . 3.100 3.027 2.690 3.051 . 0 0 "[ . 1 . 2 . 3 .]" 1
1457 1 80 ASP HA 1 81 ASP H . . 3.600 3.506 3.280 3.551 . 0 0 "[ . 1 . 2 . 3 .]" 1
1458 1 80 ASP HA 1 82 ARG H . . 5.300 4.585 3.791 5.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
1459 1 80 ASP HB3 1 81 ASP H . . 3.700 3.082 2.770 4.006 0.306 21 0 "[ . 1 . 2 . 3 .]" 1
1460 1 81 ASP H 1 81 ASP HB2 . . 3.400 2.688 2.507 2.984 . 0 0 "[ . 1 . 2 . 3 .]" 1
1461 1 81 ASP H 1 81 ASP HB3 . . 2.900 2.340 2.151 2.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
1462 1 81 ASP H 1 82 ARG H . . 2.800 2.478 2.269 2.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
1463 1 81 ASP H 1 82 ARG QB . . 4.300 4.391 4.013 4.636 0.336 13 0 "[ . 1 . 2 . 3 .]" 1
1464 1 81 ASP HA 1 81 ASP HB2 . . 2.900 2.411 2.279 2.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
1465 1 81 ASP HA 1 81 ASP HB3 . . 3.000 3.024 3.009 3.030 0.030 6 0 "[ . 1 . 2 . 3 .]" 1
1466 1 81 ASP HA 1 82 ARG H . . 4.000 3.524 3.388 3.582 . 0 0 "[ . 1 . 2 . 3 .]" 1
1467 1 81 ASP HB2 1 82 ARG H . . 4.300 3.877 3.640 4.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
1468 1 81 ASP HB3 1 82 ARG H . . 3.300 2.539 2.170 3.338 0.038 29 0 "[ . 1 . 2 . 3 .]" 1
1469 1 81 ASP HB3 1 82 ARG HE . . 4.200 4.032 3.545 4.293 0.093 6 0 "[ . 1 . 2 . 3 .]" 1
1470 1 82 ARG H 1 82 ARG QB . . 3.600 2.283 2.034 2.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
1471 1 82 ARG H 1 82 ARG HE . . 5.200 3.222 2.462 4.082 . 0 0 "[ . 1 . 2 . 3 .]" 1
1472 1 82 ARG HA 1 82 ARG HE . . 5.400 4.461 3.912 4.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
1473 1 82 ARG QB 1 82 ARG HE . . 4.800 2.530 2.276 4.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
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