NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520624 |
2le2   |
17689 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2le2
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 1138
_Distance_constraint_stats_list.Viol_count 1973
_Distance_constraint_stats_list.Viol_total 12148.348
_Distance_constraint_stats_list.Viol_max 1.807
_Distance_constraint_stats_list.Viol_rms 0.1365
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0267
_Distance_constraint_stats_list.Viol_average_violations_only 0.3079
_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 1.421 0.985 7 1 "[ . + 1 . 2]"
1 3 GLN 8.322 1.082 5 6 "[ * + -*1 **. 2]"
1 4 ASN 2.197 0.985 7 1 "[ . + 1 . 2]"
1 5 ASP 1.076 0.164 18 0 "[ . 1 . 2]"
1 6 PHE 17.979 1.082 5 14 "[ ** +**-*1****. ***]"
1 7 VAL 2.763 0.408 7 0 "[ . 1 . 2]"
1 8 ASP 2.446 0.581 16 2 "[ . 1 .+ - 2]"
1 9 SER 10.974 0.950 17 7 "[ *.**- 1 .*+ *]"
1 10 TYR 57.824 1.543 2 20 [*+******************]
1 11 ASP 21.097 1.196 15 13 "[* *** * 1* **+** **]"
1 12 VAL 6.424 0.558 8 2 "[ . + 1 - 2]"
1 13 THR 30.726 0.976 3 20 [-*+*****************]
1 14 MET 17.194 1.031 17 16 "[***** ** *-**** +* *]"
1 15 LEU 0.173 0.105 3 0 "[ . 1 . 2]"
1 16 LEU 4.574 0.712 15 3 "[ . - * + 2]"
1 17 GLN 6.367 0.816 10 2 "[ .* + . 2]"
1 18 ASP 13.806 0.844 8 17 "[****.**+*1 *******-*]"
1 19 ASP 12.349 0.844 8 15 "[****.-*+*1 ***** * *]"
1 20 ASP 7.945 0.567 17 2 "[ . 1 . + -2]"
1 21 GLY 12.952 0.816 10 2 "[ .* + . 2]"
1 22 LYS 16.501 0.983 4 15 "[***+***-*1 ** *** *2]"
1 23 GLN 11.522 0.886 17 9 "[* *.* *-1 * + **]"
1 24 TYR 10.274 0.661 2 12 "[*+*** -*1 ** * * *2]"
1 25 TYR 11.794 1.031 17 9 "[- *. *1 **** + *]"
1 26 GLU 2.315 0.594 9 2 "[ - +1 . 2]"
1 27 TYR 13.413 1.196 15 12 "[* *** 1* **+-* **]"
1 28 HIS 38.203 1.807 18 20 [**********-******+**]
1 29 LYS 2.328 0.774 13 1 "[ . 1 + . 2]"
1 30 GLY 12.974 0.950 17 7 "[ *.**- 1 .*+ *]"
1 31 LEU 6.152 0.551 7 2 "[ . + 1 - . 2]"
1 32 SER 1.066 0.114 15 0 "[ . 1 . 2]"
1 33 LEU 1.495 0.440 6 0 "[ . 1 . 2]"
1 34 SER 8.329 0.951 18 4 "[ . - * .* + 2]"
1 35 ASP 2.159 0.430 16 0 "[ . 1 . 2]"
1 36 PHE 34.394 1.807 18 20 [******-**********+**]
1 37 GLU 20.331 1.596 12 15 "[ **** -*** +*** ***]"
1 38 VAL 13.358 0.560 8 3 "[ . *+-1 . 2]"
1 39 LEU 10.200 0.560 8 3 "[ . *+-1 . 2]"
1 40 TYR 18.447 1.596 12 16 "[ **** ****-+*** ***]"
1 41 GLY 0.446 0.130 19 0 "[ . 1 . 2]"
1 42 ASN 1.401 0.293 11 0 "[ . 1 . 2]"
1 43 THR 1.813 0.712 15 1 "[ . 1 + 2]"
1 44 ALA 2.857 0.813 11 2 "[ . 1+ . * 2]"
1 45 ASP 4.405 0.563 3 1 "[ + . 1 . 2]"
1 46 GLU 4.678 0.563 3 2 "[ + . 1 . -]"
1 47 ILE 0.737 0.333 20 0 "[ . 1 . 2]"
1 48 ILE 17.648 0.886 17 11 "[* *.***** * + *-]"
1 49 LYS 4.491 0.687 4 1 "[ +. 1 . 2]"
1 50 LEU 1.472 0.327 9 0 "[ . 1 . 2]"
1 51 ARG 17.085 0.890 2 17 "[*+**** **- * *******]"
1 52 LEU 25.475 1.523 2 20 [*+******************]
1 53 ASP 27.489 1.543 2 20 [*+************-*****]
1 54 LYS 4.882 0.168 14 0 "[ . 1 . 2]"
1 55 VAL 3.922 0.415 1 0 "[ . 1 . 2]"
1 56 LEU 2.257 0.143 15 0 "[ . 1 . 2]"
2 2 VAL 0.147 0.089 11 0 "[ . 1 . 2]"
2 3 GLN 5.801 0.709 3 6 "[ + . *1*- . * *]"
2 4 ASN 1.487 0.496 5 0 "[ . 1 . 2]"
2 5 ASP 0.983 0.126 3 0 "[ . 1 . 2]"
2 6 PHE 18.973 0.934 12 14 "[******-**1*+ * * *]"
2 7 VAL 3.078 0.554 11 1 "[ . 1+ . 2]"
2 8 ASP 2.412 0.397 13 0 "[ . 1 . 2]"
2 9 SER 1.941 0.505 17 1 "[ . 1 . + 2]"
2 10 TYR 56.144 1.497 7 20 [**-***+*************]
2 11 ASP 22.866 1.380 14 13 "[ ** **-**1* +* ***]"
2 12 VAL 6.408 0.577 8 3 "[ . -+ 1 . *2]"
2 13 THR 34.008 1.414 2 18 "[*+****-*** * *******]"
2 14 MET 21.384 1.033 7 14 "[ **** + ******* *-]"
2 15 LEU 0.815 0.742 3 1 "[ + . 1 . 2]"
2 16 LEU 8.492 0.892 2 4 "[ +* . 1 . *-]"
2 17 GLN 8.958 0.880 2 5 "[ + .-* 1 *. * 2]"
2 18 ASP 12.415 0.906 6 15 "[ ***+* *** *-* ****]"
2 19 ASP 11.233 0.906 6 14 "[ ***+* *** -* ****]"
2 20 ASP 7.083 0.620 14 2 "[ . 1 -+. 2]"
2 21 GLY 12.509 0.848 14 4 "[ .-* 1 +. * 2]"
2 22 LYS 11.101 0.879 14 8 "[- * *1* *+. * *2]"
2 23 GLN 3.027 0.774 18 1 "[ . 1 . + 2]"
2 24 TYR 10.204 0.880 2 9 "[-+ * *1* **. * *2]"
2 25 TYR 18.638 1.414 2 10 "[-+**. * ** ** *2]"
2 26 GLU 0.694 0.255 16 0 "[ . 1 . 2]"
2 27 TYR 15.620 1.380 14 12 "[-** *** *1* +* * *]"
2 28 HIS 39.380 1.591 12 20 [****-******+********]
2 29 LYS 4.326 0.667 18 2 "[ . -1 . + 2]"
2 30 GLY 3.314 0.286 16 0 "[ . 1 . 2]"
2 31 LEU 3.875 0.247 3 0 "[ . 1 . 2]"
2 32 SER 1.079 0.099 8 0 "[ . 1 . 2]"
2 33 LEU 0.913 0.301 8 0 "[ . 1 . 2]"
2 34 SER 4.884 0.734 19 2 "[ . 1 .- +2]"
2 35 ASP 1.511 0.247 3 0 "[ . 1 . 2]"
2 36 PHE 29.928 1.591 12 20 [***********+******-*]
2 37 GLU 23.997 1.482 16 15 "[- **** ** ***+****]"
2 38 VAL 13.363 0.509 20 1 "[ . 1 . +]"
2 39 LEU 9.504 0.509 20 1 "[ . 1 . +]"
2 40 TYR 22.971 1.482 16 16 "[**-*** ** ***+****]"
2 41 GLY 0.426 0.162 7 0 "[ . 1 . 2]"
2 42 ASN 0.627 0.071 3 0 "[ . 1 . 2]"
2 43 THR 2.501 0.846 19 2 "[ . 1 . +-]"
2 44 ALA 4.581 0.778 2 4 "[*+- . 1 .* 2]"
2 45 ASP 4.743 0.512 5 2 "[ + 1 . - 2]"
2 46 GLU 4.459 0.512 5 2 "[ + 1 . - 2]"
2 47 ILE 1.187 0.591 2 1 "[ + . 1 . 2]"
2 48 ILE 10.796 0.892 2 3 "[ +- . 1 . * 2]"
2 49 LYS 2.595 0.646 15 1 "[ . 1 + 2]"
2 50 LEU 1.130 0.353 17 0 "[ . 1 . 2]"
2 51 ARG 17.227 0.877 15 20 [*********-****+*****]
2 52 LEU 24.311 1.426 1 19 [+*-*.***************]
2 53 ASP 29.323 1.497 7 20 [******+*****-*******]
2 54 LYS 5.299 0.214 16 0 "[ . 1 . 2]"
2 55 VAL 3.347 0.505 17 1 "[ . 1 . + 2]"
2 56 LEU 2.351 0.199 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL MG1 1 4 ASN H . . 6.000 4.872 2.644 6.985 0.985 7 1 "[ . + 1 . 2]" 1
2 1 3 GLN H 1 3 GLN HB2 . . 3.500 2.903 2.155 3.641 0.141 16 0 "[ . 1 . 2]" 1
3 1 3 GLN H 1 3 GLN HB3 . . 3.500 2.971 2.373 3.560 0.060 6 0 "[ . 1 . 2]" 1
4 1 3 GLN H 1 3 GLN HG2 . . 5.000 3.330 1.926 5.059 0.059 2 0 "[ . 1 . 2]" 1
5 1 3 GLN HA 1 4 ASN H . . 2.600 2.406 2.007 2.680 0.080 12 0 "[ . 1 . 2]" 1
6 1 3 GLN HA 1 5 ASP H . . 6.000 3.967 3.019 6.059 0.059 5 0 "[ . 1 . 2]" 1
7 1 3 GLN HA 1 6 PHE CG . . 7.200 7.400 6.388 8.282 1.082 5 6 "[ * + -*1 **. 2]" 1
8 1 4 ASN H 1 4 ASN HB2 . . 3.500 2.952 2.296 3.664 0.164 9 0 "[ . 1 . 2]" 1
9 1 5 ASP H 1 5 ASP HB2 . . 3.500 3.143 2.225 3.626 0.126 19 0 "[ . 1 . 2]" 1
10 1 5 ASP H 1 5 ASP HB3 . . 3.500 2.960 2.538 3.511 0.011 16 0 "[ . 1 . 2]" 1
11 1 5 ASP H 1 6 PHE H . . 5.000 3.046 1.906 4.257 . 0 0 "[ . 1 . 2]" 1
12 1 5 ASP H 1 7 VAL HA . . 5.000 4.940 4.331 5.164 0.164 18 0 "[ . 1 . 2]" 1
13 1 5 ASP H 1 7 VAL HB . . 5.000 3.929 2.684 4.962 . 0 0 "[ . 1 . 2]" 1
14 1 5 ASP H 1 7 VAL MG1 . . 6.000 4.522 1.855 5.722 . 0 0 "[ . 1 . 2]" 1
15 1 5 ASP HA 1 6 PHE H . . 3.500 2.920 2.208 3.546 0.046 12 0 "[ . 1 . 2]" 1
16 1 5 ASP HB2 1 6 PHE H . . 5.000 4.041 2.542 4.598 . 0 0 "[ . 1 . 2]" 1
17 1 5 ASP HB3 1 6 PHE H . . 5.000 3.742 2.050 4.531 . 0 0 "[ . 1 . 2]" 1
18 1 6 PHE CG 1 13 THR MG . . 8.200 8.533 7.633 9.176 0.976 3 10 "[ *+ .*** 1** . *-*]" 1
19 1 6 PHE CZ 1 13 THR MG . . 8.200 6.572 5.999 6.861 . 0 0 "[ . 1 . 2]" 1
20 1 6 PHE H 1 6 PHE HB2 . . 3.500 3.052 2.191 3.744 0.244 17 0 "[ . 1 . 2]" 1
21 1 6 PHE H 1 7 VAL MG1 . . 6.000 5.315 4.170 6.408 0.408 7 0 "[ . 1 . 2]" 1
22 1 6 PHE HB2 1 7 VAL H . . 5.000 4.167 2.952 4.573 . 0 0 "[ . 1 . 2]" 1
23 1 6 PHE HB3 1 7 VAL H . . 5.000 4.033 2.771 4.528 . 0 0 "[ . 1 . 2]" 1
24 1 6 PHE HZ 1 13 THR MG . . 6.000 5.884 5.291 6.034 0.034 17 0 "[ . 1 . 2]" 1
25 1 7 VAL H 1 7 VAL HB . . 2.600 2.491 2.190 2.663 0.063 4 0 "[ . 1 . 2]" 1
26 1 7 VAL H 1 7 VAL MG2 . . 3.600 3.039 1.922 3.796 0.196 12 0 "[ . 1 . 2]" 1
27 1 7 VAL HA 1 8 ASP H . . 2.600 2.267 2.056 2.618 0.018 11 0 "[ . 1 . 2]" 1
28 1 7 VAL HB 1 8 ASP H . . 5.000 4.219 3.630 4.540 . 0 0 "[ . 1 . 2]" 1
29 1 7 VAL MG1 1 8 ASP H . . 6.000 3.409 2.429 4.370 . 0 0 "[ . 1 . 2]" 1
30 1 8 ASP H 1 8 ASP HB2 . . 3.500 3.262 2.447 4.081 0.581 16 2 "[ . 1 .+ - 2]" 1
31 1 8 ASP HB2 1 9 SER H . . 3.500 3.424 2.472 3.614 0.114 12 0 "[ . 1 . 2]" 1
32 1 8 ASP HB3 1 9 SER H . . 3.500 2.556 1.905 3.613 0.113 18 0 "[ . 1 . 2]" 1
33 1 9 SER H 1 55 VAL HB . . 6.000 4.104 1.915 5.404 . 0 0 "[ . 1 . 2]" 1
34 1 9 SER H 1 55 VAL MG1 . . 6.000 4.089 2.626 5.776 . 0 0 "[ . 1 . 2]" 1
35 1 9 SER H 1 55 VAL MG2 . . 6.000 3.377 2.269 5.816 . 0 0 "[ . 1 . 2]" 1
36 1 9 SER HA 1 10 TYR H . . 2.600 2.638 2.515 2.824 0.224 11 0 "[ . 1 . 2]" 1
37 1 9 SER HA 1 55 VAL MG2 . . 6.000 3.719 2.406 6.114 0.114 2 0 "[ . 1 . 2]" 1
38 1 9 SER HB2 1 10 TYR H . . 5.000 3.206 2.188 3.807 . 0 0 "[ . 1 . 2]" 1
39 1 9 SER HB2 1 30 GLY HA2 . . 5.000 3.240 2.101 4.200 . 0 0 "[ . 1 . 2]" 1
40 1 9 SER HB2 1 30 GLY HA3 . . 5.000 4.662 3.389 5.705 0.705 17 2 "[ . 1 .-+ 2]" 1
41 1 9 SER HB2 1 31 LEU H . . 6.000 3.926 2.344 5.467 . 0 0 "[ . 1 . 2]" 1
42 1 9 SER HB3 1 30 GLY HA2 . . 5.000 3.330 2.462 4.441 . 0 0 "[ . 1 . 2]" 1
43 1 9 SER HB3 1 30 GLY HA3 . . 5.000 4.778 3.854 5.950 0.950 17 7 "[ *.**- 1 .*+ *]" 1
44 1 10 TYR CG 1 31 LEU H . . 7.200 5.544 5.164 6.028 . 0 0 "[ . 1 . 2]" 1
45 1 10 TYR CG 1 52 LEU HA . . 7.200 6.540 6.131 7.102 . 0 0 "[ . 1 . 2]" 1
46 1 10 TYR CG 1 52 LEU QB . . 6.000 6.196 5.930 6.527 0.527 2 1 "[ + . 1 . 2]" 1
47 1 10 TYR CG 1 52 LEU QD . . 6.700 3.467 2.946 3.655 . 0 0 "[ . 1 . 2]" 1
48 1 10 TYR CG 1 52 LEU HG . . 4.500 4.342 3.939 4.913 0.413 17 0 "[ . 1 . 2]" 1
49 1 10 TYR CG 1 53 ASP H . . 5.700 5.281 4.901 5.717 0.017 2 0 "[ . 1 . 2]" 1
50 1 10 TYR CG 1 54 LYS HA . . 5.700 3.174 2.878 3.348 . 0 0 "[ . 1 . 2]" 1
51 1 10 TYR CG 1 55 VAL H . . 7.200 4.543 4.210 5.258 . 0 0 "[ . 1 . 2]" 1
52 1 10 TYR CG 2 47 ILE MG . . 8.200 4.998 4.477 5.986 . 0 0 "[ . 1 . 2]" 1
53 1 10 TYR CZ 1 52 LEU HA . . 7.200 8.239 7.920 8.723 1.523 2 20 [*+********-*********] 1
54 1 10 TYR CZ 1 52 LEU QD . . 8.200 3.954 3.771 4.326 . 0 0 "[ . 1 . 2]" 1
55 1 10 TYR CZ 1 53 ASP H . . 5.700 6.928 6.562 7.243 1.543 2 20 [*+******-***********] 1
56 1 10 TYR CZ 1 55 VAL H . . 7.200 5.433 4.752 6.269 . 0 0 "[ . 1 . 2]" 1
57 1 10 TYR CZ 2 47 ILE MD . . 6.700 5.645 3.996 6.632 . 0 0 "[ . 1 . 2]" 1
58 1 10 TYR CZ 2 47 ILE MG . . 5.800 3.561 2.865 5.382 . 0 0 "[ . 1 . 2]" 1
59 1 10 TYR CZ 2 48 ILE HA . . 7.200 5.257 4.774 6.175 . 0 0 "[ . 1 . 2]" 1
60 1 10 TYR H 1 10 TYR HB2 . . 3.500 2.458 2.266 2.557 . 0 0 "[ . 1 . 2]" 1
61 1 10 TYR H 1 30 GLY HA3 . . 6.000 6.060 5.580 6.375 0.375 2 0 "[ . 1 . 2]" 1
62 1 10 TYR H 1 31 LEU H . . 3.500 3.456 3.226 3.563 0.063 7 0 "[ . 1 . 2]" 1
63 1 10 TYR H 1 32 SER HA . . 5.000 3.410 3.060 3.602 . 0 0 "[ . 1 . 2]" 1
64 1 10 TYR H 1 32 SER HB2 . . 5.000 5.049 4.967 5.114 0.114 15 0 "[ . 1 . 2]" 1
65 1 10 TYR H 1 32 SER HB3 . . 5.000 4.690 4.538 4.819 . 0 0 "[ . 1 . 2]" 1
66 1 10 TYR H 1 33 LEU QD . . 6.000 5.221 4.335 6.056 0.056 7 0 "[ . 1 . 2]" 1
67 1 10 TYR H 1 52 LEU QD . . 6.000 5.496 4.944 5.675 . 0 0 "[ . 1 . 2]" 1
68 1 10 TYR H 1 55 VAL MG1 . . 6.000 5.127 4.006 6.122 0.122 2 0 "[ . 1 . 2]" 1
69 1 10 TYR H 1 55 VAL MG2 . . 6.000 4.245 3.472 5.959 . 0 0 "[ . 1 . 2]" 1
70 1 10 TYR HA 1 11 ASP H . . 2.600 2.162 2.037 2.315 . 0 0 "[ . 1 . 2]" 1
71 1 10 TYR HA 1 33 LEU QD . . 6.000 5.253 4.738 5.931 . 0 0 "[ . 1 . 2]" 1
72 1 10 TYR HA 1 52 LEU QD . . 6.000 4.485 3.945 4.826 . 0 0 "[ . 1 . 2]" 1
73 1 10 TYR HA 1 54 LYS HA . . 2.600 2.476 2.163 2.644 0.044 3 0 "[ . 1 . 2]" 1
74 1 10 TYR HA 1 54 LYS HB2 . . 5.000 4.571 4.407 4.907 . 0 0 "[ . 1 . 2]" 1
75 1 10 TYR HA 1 54 LYS HB3 . . 5.000 5.038 4.785 5.158 0.158 12 0 "[ . 1 . 2]" 1
76 1 10 TYR HA 1 55 VAL H . . 3.500 2.828 2.139 3.507 0.007 9 0 "[ . 1 . 2]" 1
77 1 10 TYR HA 1 55 VAL HB . . 5.000 4.507 3.423 5.124 0.124 11 0 "[ . 1 . 2]" 1
78 1 10 TYR HA 1 55 VAL MG1 . . 6.000 3.911 2.130 5.403 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR HA 1 55 VAL MG2 . . 4.500 3.119 2.293 4.833 0.333 1 0 "[ . 1 . 2]" 1
80 1 10 TYR HB2 1 11 ASP H . . 5.000 4.078 3.551 4.419 . 0 0 "[ . 1 . 2]" 1
81 1 10 TYR HB2 1 31 LEU H . . 6.000 3.668 3.286 4.180 . 0 0 "[ . 1 . 2]" 1
82 1 10 TYR HB2 1 52 LEU QD . . 6.000 3.889 2.950 4.198 . 0 0 "[ . 1 . 2]" 1
83 1 10 TYR HB2 1 54 LYS HA . . 5.000 4.756 4.382 4.995 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR HB3 1 52 LEU QD . . 4.500 3.034 2.075 3.318 . 0 0 "[ . 1 . 2]" 1
85 1 10 TYR HB3 1 54 LYS HA . . 5.000 4.031 3.594 4.287 . 0 0 "[ . 1 . 2]" 1
86 1 11 ASP H 1 11 ASP QB . . 3.500 2.284 2.186 2.397 . 0 0 "[ . 1 . 2]" 1
87 1 11 ASP H 1 29 LYS HA . . 6.000 4.666 4.452 5.031 . 0 0 "[ . 1 . 2]" 1
88 1 11 ASP H 1 52 LEU QD . . 6.000 4.327 3.068 4.714 . 0 0 "[ . 1 . 2]" 1
89 1 11 ASP H 1 52 LEU HG . . 5.000 4.298 3.624 4.915 . 0 0 "[ . 1 . 2]" 1
90 1 11 ASP H 1 53 ASP H . . 3.500 3.023 2.813 3.246 . 0 0 "[ . 1 . 2]" 1
91 1 11 ASP H 1 54 LYS HA . . 5.000 3.715 3.401 3.936 . 0 0 "[ . 1 . 2]" 1
92 1 11 ASP H 1 55 VAL MG1 . . 6.000 4.018 2.130 5.561 . 0 0 "[ . 1 . 2]" 1
93 1 11 ASP H 1 55 VAL MG2 . . 4.500 3.495 2.173 4.915 0.415 1 0 "[ . 1 . 2]" 1
94 1 11 ASP HA 1 12 VAL H . . 2.600 2.154 2.090 2.238 . 0 0 "[ . 1 . 2]" 1
95 1 11 ASP HA 1 27 TYR CG . . 7.200 7.648 6.510 8.396 1.196 15 12 "[* *** 1* **+-* **]" 1
96 1 11 ASP HA 1 28 HIS H . . 5.000 4.943 4.414 5.085 0.085 7 0 "[ . 1 . 2]" 1
97 1 11 ASP HA 1 29 LYS HA . . 2.600 2.053 1.936 2.215 . 0 0 "[ . 1 . 2]" 1
98 1 11 ASP HA 1 29 LYS HB2 . . 5.000 3.405 2.355 5.101 0.101 13 0 "[ . 1 . 2]" 1
99 1 11 ASP HA 1 29 LYS HB3 . . 5.000 3.238 2.398 4.903 . 0 0 "[ . 1 . 2]" 1
100 1 11 ASP HA 1 29 LYS QD . . 5.000 4.764 3.935 5.774 0.774 13 1 "[ . 1 + . 2]" 1
101 1 11 ASP HA 1 29 LYS HG2 . . 5.000 4.508 2.437 5.053 0.053 12 0 "[ . 1 . 2]" 1
102 1 11 ASP HA 1 29 LYS HG3 . . 5.000 4.283 2.417 4.980 . 0 0 "[ . 1 . 2]" 1
103 1 11 ASP HA 1 30 GLY H . . 3.500 3.314 2.648 3.577 0.077 2 0 "[ . 1 . 2]" 1
104 1 11 ASP HA 1 31 LEU H . . 5.000 4.411 3.650 4.748 . 0 0 "[ . 1 . 2]" 1
105 1 11 ASP HA 1 31 LEU MD1 . . 6.000 4.471 3.824 5.419 . 0 0 "[ . 1 . 2]" 1
106 1 11 ASP HA 1 31 LEU MD2 . . 6.000 5.228 2.849 6.001 0.001 1 0 "[ . 1 . 2]" 1
107 1 11 ASP HA 1 52 LEU QD . . 6.000 5.536 4.255 5.956 . 0 0 "[ . 1 . 2]" 1
108 1 11 ASP HA 1 55 VAL MG2 . . 6.000 4.680 3.462 5.908 . 0 0 "[ . 1 . 2]" 1
109 1 11 ASP QB 1 12 VAL H . . 3.500 3.765 2.898 4.058 0.558 8 2 "[ . + 1 - 2]" 1
110 1 11 ASP QB 1 29 LYS HA . . 5.000 3.679 2.767 4.041 . 0 0 "[ . 1 . 2]" 1
111 1 11 ASP N 1 53 ASP O . . 3.500 2.900 2.742 3.108 . 0 0 "[ . 1 . 2]" 1
112 1 11 ASP O 1 53 ASP N . . 3.500 2.928 2.781 3.110 . 0 0 "[ . 1 . 2]" 1
113 1 12 VAL H 1 12 VAL HB . . 3.500 2.723 2.429 3.041 . 0 0 "[ . 1 . 2]" 1
114 1 12 VAL H 1 29 LYS HA . . 5.000 2.915 2.695 3.441 . 0 0 "[ . 1 . 2]" 1
115 1 12 VAL H 1 52 LEU QD . . 7.000 5.122 3.756 5.540 . 0 0 "[ . 1 . 2]" 1
116 1 12 VAL HA 1 13 THR H . . 2.600 2.147 2.075 2.209 . 0 0 "[ . 1 . 2]" 1
117 1 12 VAL HA 1 39 LEU QD . . 6.000 4.833 4.636 6.315 0.315 8 0 "[ . 1 . 2]" 1
118 1 12 VAL HA 1 52 LEU HA . . 2.600 2.364 2.106 2.587 . 0 0 "[ . 1 . 2]" 1
119 1 12 VAL HA 1 52 LEU QD . . 6.000 3.827 2.754 4.145 . 0 0 "[ . 1 . 2]" 1
120 1 12 VAL HA 1 53 ASP H . . 5.000 3.821 3.524 4.074 . 0 0 "[ . 1 . 2]" 1
121 1 12 VAL HB 1 28 HIS H . . 5.000 3.618 3.004 4.007 . 0 0 "[ . 1 . 2]" 1
122 1 12 VAL HB 1 28 HIS HA . . 5.000 4.923 4.691 5.069 0.069 12 0 "[ . 1 . 2]" 1
123 1 12 VAL HB 1 28 HIS HB2 . . 5.000 2.309 2.082 2.493 . 0 0 "[ . 1 . 2]" 1
124 1 12 VAL HB 1 28 HIS HB3 . . 5.000 3.598 3.318 3.926 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL HB 1 28 HIS HD2 . . 5.000 4.132 3.235 4.592 . 0 0 "[ . 1 . 2]" 1
126 1 12 VAL HB 1 36 PHE CG . . 7.200 5.899 5.578 6.150 . 0 0 "[ . 1 . 2]" 1
127 1 12 VAL HB 1 39 LEU QD . . 6.000 3.104 2.602 4.841 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL QG 1 14 MET ME . . 7.000 3.071 2.017 4.175 . 0 0 "[ . 1 . 2]" 1
129 1 12 VAL QG 1 14 MET QG . . 4.500 3.834 2.088 4.456 . 0 0 "[ . 1 . 2]" 1
130 1 12 VAL QG 1 27 TYR CG . . 8.200 6.768 5.878 7.475 . 0 0 "[ . 1 . 2]" 1
131 1 12 VAL QG 1 28 HIS H . . 6.000 3.906 3.475 4.272 . 0 0 "[ . 1 . 2]" 1
132 1 12 VAL QG 1 28 HIS HB2 . . 6.000 3.123 2.687 3.306 . 0 0 "[ . 1 . 2]" 1
133 1 12 VAL QG 1 28 HIS HD2 . . 6.000 3.582 3.212 4.191 . 0 0 "[ . 1 . 2]" 1
134 1 12 VAL QG 1 31 LEU H . . 6.000 4.646 3.850 5.100 . 0 0 "[ . 1 . 2]" 1
135 1 12 VAL QG 1 36 PHE CG . . 5.800 3.203 3.042 3.451 . 0 0 "[ . 1 . 2]" 1
136 1 12 VAL QG 1 36 PHE CZ . . 6.700 4.134 3.760 4.445 . 0 0 "[ . 1 . 2]" 1
137 1 12 VAL QG 1 36 PHE HB3 . . 6.000 3.697 3.471 4.096 . 0 0 "[ . 1 . 2]" 1
138 1 12 VAL QG 1 36 PHE HZ . . 6.000 4.655 4.197 5.014 . 0 0 "[ . 1 . 2]" 1
139 1 12 VAL QG 1 39 LEU QD . . 7.000 2.045 1.867 3.289 . 0 0 "[ . 1 . 2]" 1
140 1 12 VAL QG 1 51 ARG H . . 6.000 3.811 3.345 4.410 . 0 0 "[ . 1 . 2]" 1
141 1 12 VAL N 1 28 HIS O . . 3.500 2.830 2.721 2.916 . 0 0 "[ . 1 . 2]" 1
142 1 12 VAL O 1 28 HIS N . . 3.500 2.805 2.708 2.988 . 0 0 "[ . 1 . 2]" 1
143 1 13 THR H 1 27 TYR CG . . 7.200 6.731 5.650 7.319 0.119 17 0 "[ . 1 . 2]" 1
144 1 13 THR H 1 51 ARG H . . 3.500 3.205 2.859 3.520 0.020 18 0 "[ . 1 . 2]" 1
145 1 13 THR H 1 52 LEU QD . . 7.000 5.217 4.441 5.524 . 0 0 "[ . 1 . 2]" 1
146 1 13 THR HA 1 14 MET H . . 2.600 2.221 2.087 2.366 . 0 0 "[ . 1 . 2]" 1
147 1 13 THR HA 1 25 TYR CG . . 7.200 6.455 6.016 6.734 . 0 0 "[ . 1 . 2]" 1
148 1 13 THR HA 1 27 TYR CG . . 5.700 4.292 3.428 4.697 . 0 0 "[ . 1 . 2]" 1
149 1 13 THR HA 1 27 TYR HA . . 2.600 2.234 2.009 2.463 . 0 0 "[ . 1 . 2]" 1
150 1 13 THR HA 1 28 HIS H . . 5.000 3.151 2.773 3.484 . 0 0 "[ . 1 . 2]" 1
151 1 13 THR HA 1 28 HIS HD2 . . 5.000 4.525 3.814 5.015 0.015 15 0 "[ . 1 . 2]" 1
152 1 13 THR HB 1 25 TYR CG . . 7.200 7.427 7.012 8.011 0.811 15 5 "[- . *1 * + *]" 1
153 1 13 THR HB 1 27 TYR CG . . 7.200 6.087 5.335 6.565 . 0 0 "[ . 1 . 2]" 1
154 1 13 THR HB 1 27 TYR HA . . 5.000 4.980 4.867 5.060 0.060 2 0 "[ . 1 . 2]" 1
155 1 13 THR HB 1 51 ARG H . . 5.000 3.412 2.785 3.865 . 0 0 "[ . 1 . 2]" 1
156 1 13 THR HB 1 51 ARG HA . . 5.000 4.868 4.485 5.061 0.061 17 0 "[ . 1 . 2]" 1
157 1 13 THR HB 1 51 ARG HB2 . . 3.500 3.089 2.030 3.566 0.066 19 0 "[ . 1 . 2]" 1
158 1 13 THR HB 1 51 ARG HB3 . . 3.500 2.328 1.963 3.548 0.048 1 0 "[ . 1 . 2]" 1
159 1 13 THR HB 1 51 ARG QD . . 5.000 4.247 3.155 5.227 0.227 11 0 "[ . 1 . 2]" 1
160 1 13 THR HB 1 51 ARG HG2 . . 5.000 4.709 4.015 5.085 0.085 14 0 "[ . 1 . 2]" 1
161 1 13 THR HB 1 51 ARG HG3 . . 5.000 4.511 3.641 5.050 0.050 5 0 "[ . 1 . 2]" 1
162 1 13 THR MG 1 25 TYR CG . . 5.800 4.254 3.856 4.713 . 0 0 "[ . 1 . 2]" 1
163 1 13 THR MG 1 25 TYR CZ . . 6.700 3.754 2.677 5.109 . 0 0 "[ . 1 . 2]" 1
164 1 13 THR MG 1 25 TYR QB . . 6.000 4.453 3.482 5.232 . 0 0 "[ . 1 . 2]" 1
165 1 13 THR MG 1 26 GLU H . . 6.000 4.191 3.954 4.842 . 0 0 "[ . 1 . 2]" 1
166 1 13 THR MG 1 27 TYR CG . . 6.700 3.612 2.870 4.321 . 0 0 "[ . 1 . 2]" 1
167 1 13 THR MG 1 27 TYR CZ . . 6.700 3.966 3.124 6.254 . 0 0 "[ . 1 . 2]" 1
168 1 13 THR MG 1 27 TYR HA . . 6.000 3.293 2.962 3.719 . 0 0 "[ . 1 . 2]" 1
169 1 13 THR MG 1 28 HIS H . . 6.000 4.742 4.398 5.127 . 0 0 "[ . 1 . 2]" 1
170 1 13 THR MG 1 51 ARG H . . 6.000 4.124 3.787 4.427 . 0 0 "[ . 1 . 2]" 1
171 1 13 THR MG 1 51 ARG QD . . 7.000 4.699 2.678 5.672 . 0 0 "[ . 1 . 2]" 1
172 1 13 THR MG 2 51 ARG QD . . 6.000 6.740 6.535 6.877 0.877 15 20 [*********-****+*****] 1
173 1 13 THR N 1 51 ARG O . . 3.500 2.840 2.688 2.947 . 0 0 "[ . 1 . 2]" 1
174 1 13 THR O 1 51 ARG N . . 3.500 2.751 2.690 2.863 . 0 0 "[ . 1 . 2]" 1
175 1 14 MET H 1 14 MET HB2 . . 3.500 2.924 2.494 3.224 . 0 0 "[ . 1 . 2]" 1
176 1 14 MET H 1 14 MET QG . . 5.000 3.879 2.633 4.172 . 0 0 "[ . 1 . 2]" 1
177 1 14 MET H 1 25 TYR CG . . 7.200 5.862 5.241 6.542 . 0 0 "[ . 1 . 2]" 1
178 1 14 MET H 1 25 TYR CZ . . 7.200 6.719 5.318 8.231 1.031 17 6 "[* *. 1 *-* + 2]" 1
179 1 14 MET H 1 26 GLU H . . 3.500 3.208 2.981 3.431 . 0 0 "[ . 1 . 2]" 1
180 1 14 MET H 1 27 TYR HA . . 5.000 3.333 2.680 3.782 . 0 0 "[ . 1 . 2]" 1
181 1 14 MET HA 1 15 LEU H . . 2.600 2.258 2.104 2.375 . 0 0 "[ . 1 . 2]" 1
182 1 14 MET HA 1 25 TYR CG . . 7.200 6.896 6.377 7.285 0.085 3 0 "[ . 1 . 2]" 1
183 1 14 MET HB2 1 15 LEU H . . 5.000 3.971 3.331 4.254 . 0 0 "[ . 1 . 2]" 1
184 1 14 MET HB2 1 51 ARG H . . 5.000 4.557 3.904 5.597 0.597 8 3 "[- . + 1 . * 2]" 1
185 1 14 MET ME 1 16 LEU MD1 . . 7.000 3.645 2.243 5.455 . 0 0 "[ . 1 . 2]" 1
186 1 14 MET ME 1 16 LEU MD2 . . 5.500 3.509 2.050 4.907 . 0 0 "[ . 1 . 2]" 1
187 1 14 MET ME 1 28 HIS HD2 . . 4.500 4.432 4.249 4.556 0.056 7 0 "[ . 1 . 2]" 1
188 1 14 MET ME 1 36 PHE CG . . 8.200 5.390 3.628 6.947 . 0 0 "[ . 1 . 2]" 1
189 1 14 MET ME 1 36 PHE CZ . . 8.200 4.889 3.506 6.158 . 0 0 "[ . 1 . 2]" 1
190 1 14 MET ME 1 36 PHE HZ . . 6.000 4.968 3.642 6.039 0.039 20 0 "[ . 1 . 2]" 1
191 1 14 MET ME 1 39 LEU QD . . 5.500 2.162 1.850 2.445 . 0 0 "[ . 1 . 2]" 1
192 1 14 MET ME 1 40 TYR CG . . 8.200 4.590 3.882 5.628 . 0 0 "[ . 1 . 2]" 1
193 1 14 MET ME 1 40 TYR CZ . . 8.200 6.356 5.627 7.219 . 0 0 "[ . 1 . 2]" 1
194 1 14 MET ME 1 40 TYR HA . . 6.000 2.835 2.462 3.332 . 0 0 "[ . 1 . 2]" 1
195 1 14 MET ME 1 43 THR MG . . 5.500 3.843 2.262 5.430 . 0 0 "[ . 1 . 2]" 1
196 1 14 MET ME 1 47 ILE MD . . 7.000 3.455 2.461 5.690 . 0 0 "[ . 1 . 2]" 1
197 1 14 MET ME 1 50 LEU QD . . 5.500 2.847 2.026 3.932 . 0 0 "[ . 1 . 2]" 1
198 1 14 MET ME 1 51 ARG H . . 7.000 5.503 4.359 6.766 . 0 0 "[ . 1 . 2]" 1
199 1 14 MET QG 1 15 LEU H . . 5.000 2.492 1.838 4.100 . 0 0 "[ . 1 . 2]" 1
200 1 14 MET QG 1 28 HIS HD2 . . 5.000 4.992 3.335 5.904 0.904 12 9 "[ ** . * 1-+*** *]" 1
201 1 14 MET QG 1 36 PHE CZ . . 7.200 6.604 5.211 8.089 0.889 5 3 "[ + - . * 2]" 1
202 1 14 MET QG 1 39 LEU QD . . 6.000 3.337 2.097 3.996 . 0 0 "[ . 1 . 2]" 1
203 1 14 MET QG 1 47 ILE MD . . 6.000 3.190 2.107 5.393 . 0 0 "[ . 1 . 2]" 1
204 1 14 MET QG 1 50 LEU QD . . 4.500 3.206 2.441 4.139 . 0 0 "[ . 1 . 2]" 1
205 1 14 MET N 1 26 GLU O . . 3.500 2.917 2.804 3.127 . 0 0 "[ . 1 . 2]" 1
206 1 14 MET O 1 26 GLU N . . 3.500 2.819 2.728 3.122 . 0 0 "[ . 1 . 2]" 1
207 1 15 LEU H 1 15 LEU QD . . 4.500 3.758 3.247 3.974 . 0 0 "[ . 1 . 2]" 1
208 1 15 LEU H 1 49 LYS H . . 3.500 3.185 3.011 3.485 . 0 0 "[ . 1 . 2]" 1
209 1 15 LEU H 1 50 LEU HA . . 5.000 3.508 3.215 3.798 . 0 0 "[ . 1 . 2]" 1
210 1 15 LEU HA 1 15 LEU QD . . 3.600 2.771 2.061 3.464 . 0 0 "[ . 1 . 2]" 1
211 1 15 LEU HA 1 16 LEU H . . 2.600 2.119 2.042 2.245 . 0 0 "[ . 1 . 2]" 1
212 1 15 LEU HA 1 25 TYR CG . . 7.200 4.802 4.474 5.284 . 0 0 "[ . 1 . 2]" 1
213 1 15 LEU HA 1 25 TYR CZ . . 7.200 6.496 5.588 7.305 0.105 3 0 "[ . 1 . 2]" 1
214 1 15 LEU HA 1 25 TYR HA . . 2.600 2.475 2.357 2.617 0.017 3 0 "[ . 1 . 2]" 1
215 1 15 LEU QD 1 16 LEU H . . 4.500 2.793 2.306 3.510 . 0 0 "[ . 1 . 2]" 1
216 1 15 LEU QD 1 23 GLN HA . . 6.000 3.640 3.227 4.277 . 0 0 "[ . 1 . 2]" 1
217 1 15 LEU QD 1 23 GLN HB2 . . 6.000 3.439 2.901 4.380 . 0 0 "[ . 1 . 2]" 1
218 1 15 LEU QD 1 23 GLN HB3 . . 6.000 2.263 1.969 4.327 . 0 0 "[ . 1 . 2]" 1
219 1 15 LEU QD 1 24 TYR CG . . 8.200 5.215 4.562 6.244 . 0 0 "[ . 1 . 2]" 1
220 1 15 LEU QD 1 24 TYR HA . . 6.000 4.053 3.391 5.148 . 0 0 "[ . 1 . 2]" 1
221 1 15 LEU QD 1 25 TYR CG . . 6.700 3.556 2.805 4.008 . 0 0 "[ . 1 . 2]" 1
222 1 15 LEU QD 1 25 TYR CZ . . 6.700 3.688 2.499 5.258 . 0 0 "[ . 1 . 2]" 1
223 1 15 LEU QD 1 25 TYR HA . . 6.000 3.309 2.300 3.881 . 0 0 "[ . 1 . 2]" 1
224 1 15 LEU QD 1 26 GLU H . . 6.000 4.567 3.845 4.974 . 0 0 "[ . 1 . 2]" 1
225 1 15 LEU QD 1 39 LEU QD . . 8.000 6.491 6.267 6.610 . 0 0 "[ . 1 . 2]" 1
226 1 15 LEU QD 1 48 ILE H . . 6.000 4.180 3.345 5.273 . 0 0 "[ . 1 . 2]" 1
227 1 15 LEU QD 1 49 LYS H . . 6.000 3.290 2.411 4.142 . 0 0 "[ . 1 . 2]" 1
228 1 15 LEU QD 1 49 LYS HE2 . . 6.000 3.684 2.500 4.612 . 0 0 "[ . 1 . 2]" 1
229 1 15 LEU QD 1 49 LYS HE3 . . 6.000 3.534 2.228 4.784 . 0 0 "[ . 1 . 2]" 1
230 1 15 LEU QD 1 49 LYS HG3 . . 4.500 3.128 2.134 4.444 . 0 0 "[ . 1 . 2]" 1
231 1 16 LEU H 1 16 LEU MD1 . . 4.500 3.572 2.463 4.454 . 0 0 "[ . 1 . 2]" 1
232 1 16 LEU HA 1 16 LEU MD1 . . 4.500 2.955 2.046 3.956 . 0 0 "[ . 1 . 2]" 1
233 1 16 LEU HA 1 16 LEU MD2 . . 3.600 2.994 2.085 3.581 . 0 0 "[ . 1 . 2]" 1
234 1 16 LEU HA 1 17 GLN H . . 2.600 2.433 2.308 2.553 . 0 0 "[ . 1 . 2]" 1
235 1 16 LEU HA 1 47 ILE HA . . 5.000 2.802 2.195 4.374 . 0 0 "[ . 1 . 2]" 1
236 1 16 LEU MD1 1 24 TYR CG . . 6.700 5.548 4.061 6.496 . 0 0 "[ . 1 . 2]" 1
237 1 16 LEU MD1 1 43 THR H . . 6.000 5.530 4.904 6.712 0.712 15 1 "[ . 1 + 2]" 1
238 1 16 LEU MD1 1 45 ASP HA . . 6.000 5.051 3.984 6.038 0.038 1 0 "[ . 1 . 2]" 1
239 1 16 LEU MD1 1 45 ASP QB . . 6.000 3.535 2.113 4.822 . 0 0 "[ . 1 . 2]" 1
240 1 16 LEU MD1 1 48 ILE H . . 6.000 4.137 2.907 5.481 . 0 0 "[ . 1 . 2]" 1
241 1 16 LEU MD1 1 49 LYS H . . 6.000 5.086 4.048 6.076 0.076 4 0 "[ . 1 . 2]" 1
242 1 16 LEU MD2 1 17 GLN H . . 6.000 4.101 3.149 4.818 . 0 0 "[ . 1 . 2]" 1
243 1 16 LEU MD2 1 24 TYR CG . . 8.200 5.420 3.961 7.040 . 0 0 "[ . 1 . 2]" 1
244 1 16 LEU MD2 1 43 THR HA . . 6.000 4.659 3.408 5.596 . 0 0 "[ . 1 . 2]" 1
245 1 16 LEU MD2 1 43 THR HB . . 6.000 3.564 2.109 4.724 . 0 0 "[ . 1 . 2]" 1
246 1 16 LEU MD2 1 45 ASP HA . . 6.000 5.226 3.855 6.072 0.072 17 0 "[ . 1 . 2]" 1
247 1 16 LEU MD2 1 45 ASP QB . . 6.000 3.629 2.104 5.353 . 0 0 "[ . 1 . 2]" 1
248 1 16 LEU MD2 1 47 ILE HA . . 4.500 3.117 1.864 4.393 . 0 0 "[ . 1 . 2]" 1
249 1 16 LEU MD2 1 48 ILE H . . 4.500 4.098 2.323 5.115 0.615 10 2 "[ . - + . 2]" 1
250 1 16 LEU MD2 1 49 LYS H . . 6.000 5.014 3.698 5.757 . 0 0 "[ . 1 . 2]" 1
251 1 16 LEU N 1 24 TYR O . . 3.500 2.990 2.852 3.356 . 0 0 "[ . 1 . 2]" 1
252 1 16 LEU O 1 24 TYR N . . 3.500 2.862 2.790 3.000 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLN H 1 48 ILE MD . . 6.000 4.000 3.518 5.777 . 0 0 "[ . 1 . 2]" 1
254 1 17 GLN HA 1 18 ASP H . . 2.600 2.117 2.035 2.324 . 0 0 "[ . 1 . 2]" 1
255 1 17 GLN HA 1 21 GLY HA2 . . 6.000 5.231 4.520 6.313 0.313 10 0 "[ . 1 . 2]" 1
256 1 17 GLN HA 1 22 LYS H . . 6.000 4.940 4.614 5.198 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLN HA 1 23 GLN H . . 5.000 4.437 3.298 4.790 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLN HA 1 23 GLN HA . . 2.600 2.184 1.952 2.471 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLN HA 1 24 TYR CG . . 7.200 5.163 4.817 5.844 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLN HA 1 24 TYR CZ . . 7.200 5.679 5.120 7.324 0.124 10 0 "[ . 1 . 2]" 1
261 1 17 GLN HA 1 24 TYR H . . 3.500 3.333 3.205 3.483 . 0 0 "[ . 1 . 2]" 1
262 1 17 GLN HB3 1 18 ASP H . . 5.000 4.126 3.737 4.343 . 0 0 "[ . 1 . 2]" 1
263 1 17 GLN HB3 1 21 GLY H . . 6.000 5.974 5.662 6.584 0.584 10 1 "[ . + . 2]" 1
264 1 17 GLN HE21 1 21 GLY HA2 . . 5.000 3.361 2.773 4.460 . 0 0 "[ . 1 . 2]" 1
265 1 17 GLN HE21 1 21 GLY HA3 . . 5.000 4.802 4.293 5.462 0.462 1 0 "[ . 1 . 2]" 1
266 1 17 GLN HE22 1 21 GLY HA2 . . 5.000 4.000 3.491 4.562 . 0 0 "[ . 1 . 2]" 1
267 1 17 GLN HE22 1 21 GLY HA3 . . 5.000 5.100 4.422 5.816 0.816 10 2 "[ .- + . 2]" 1
268 1 17 GLN HE22 1 48 ILE MD . . 6.000 4.051 3.225 5.912 . 0 0 "[ . 1 . 2]" 1
269 1 17 GLN QG 1 18 ASP H . . 5.000 2.693 2.245 3.045 . 0 0 "[ . 1 . 2]" 1
270 1 17 GLN QG 1 21 GLY H . . 5.000 3.518 3.320 4.082 . 0 0 "[ . 1 . 2]" 1
271 1 17 GLN QG 1 21 GLY HA2 . . 5.000 2.556 2.212 3.644 . 0 0 "[ . 1 . 2]" 1
272 1 17 GLN QG 1 21 GLY HA3 . . 5.000 3.977 3.652 4.971 . 0 0 "[ . 1 . 2]" 1
273 1 17 GLN QG 1 22 LYS H . . 5.000 3.614 3.215 3.815 . 0 0 "[ . 1 . 2]" 1
274 1 17 GLN QG 1 48 ILE MD . . 6.000 4.124 3.787 5.943 . 0 0 "[ . 1 . 2]" 1
275 1 18 ASP H 1 18 ASP QB . . 3.500 2.272 2.038 2.747 . 0 0 "[ . 1 . 2]" 1
276 1 18 ASP H 1 21 GLY H . . 6.000 4.144 3.830 4.436 . 0 0 "[ . 1 . 2]" 1
277 1 18 ASP H 1 22 LYS H . . 3.500 3.457 3.233 3.542 0.042 17 0 "[ . 1 . 2]" 1
278 1 18 ASP H 1 23 GLN HA . . 3.500 3.375 2.758 3.541 0.041 17 0 "[ . 1 . 2]" 1
279 1 18 ASP H 1 24 TYR CG . . 7.200 5.120 4.830 5.987 . 0 0 "[ . 1 . 2]" 1
280 1 18 ASP H 1 24 TYR CZ . . 7.200 5.558 5.032 7.317 0.117 10 0 "[ . 1 . 2]" 1
281 1 18 ASP HA 1 19 ASP H . . 2.600 2.426 2.359 2.526 . 0 0 "[ . 1 . 2]" 1
282 1 18 ASP HA 1 24 TYR CG . . 7.200 5.928 4.801 7.476 0.276 19 0 "[ . 1 . 2]" 1
283 1 18 ASP QB 1 19 ASP H . . 2.600 3.186 2.208 3.444 0.844 8 15 "[****.-*+*1 ***** * *]" 1
284 1 18 ASP QB 1 20 ASP H . . 5.000 3.232 2.781 5.567 0.567 17 2 "[ . 1 . + -2]" 1
285 1 18 ASP QB 1 24 TYR CG . . 7.200 4.291 3.468 4.765 . 0 0 "[ . 1 . 2]" 1
286 1 18 ASP QB 1 24 TYR CZ . . 5.700 4.555 3.882 5.220 . 0 0 "[ . 1 . 2]" 1
287 1 19 ASP H 1 19 ASP HB3 . . 3.500 2.699 2.389 3.569 0.069 3 0 "[ . 1 . 2]" 1
288 1 19 ASP H 1 20 ASP H . . 3.500 2.810 2.503 3.559 0.059 17 0 "[ . 1 . 2]" 1
289 1 19 ASP H 1 21 GLY H . . 6.000 4.113 3.925 4.460 . 0 0 "[ . 1 . 2]" 1
290 1 19 ASP HA 1 20 ASP H . . 5.000 3.417 2.221 3.615 . 0 0 "[ . 1 . 2]" 1
291 1 19 ASP HA 1 21 GLY H . . 5.000 3.560 3.296 4.124 . 0 0 "[ . 1 . 2]" 1
292 1 20 ASP H 1 20 ASP HB2 . . 3.500 2.547 2.311 3.633 0.133 5 0 "[ . 1 . 2]" 1
293 1 20 ASP H 1 21 GLY HA2 . . 5.000 4.954 4.778 5.027 0.027 15 0 "[ . 1 . 2]" 1
294 1 20 ASP H 1 21 GLY HA3 . . 5.000 5.329 5.180 5.427 0.427 17 0 "[ . 1 . 2]" 1
295 1 20 ASP H 1 22 LYS H . . 5.000 3.779 3.470 4.354 . 0 0 "[ . 1 . 2]" 1
296 1 20 ASP HA 1 21 GLY H . . 3.500 3.343 3.235 3.402 . 0 0 "[ . 1 . 2]" 1
297 1 20 ASP HA 1 22 LYS H . . 5.000 4.664 4.454 4.903 . 0 0 "[ . 1 . 2]" 1
298 1 20 ASP HB2 1 21 GLY H . . 5.000 4.157 3.561 4.430 . 0 0 "[ . 1 . 2]" 1
299 1 20 ASP HB2 1 22 LYS H . . 5.000 4.367 3.104 4.989 . 0 0 "[ . 1 . 2]" 1
300 1 20 ASP HB3 1 22 LYS H . . 5.000 3.405 2.829 4.789 . 0 0 "[ . 1 . 2]" 1
301 1 21 GLY H 1 22 LYS H . . 3.500 2.447 1.880 2.687 . 0 0 "[ . 1 . 2]" 1
302 1 21 GLY HA3 1 22 LYS H . . 3.500 3.382 3.318 3.535 0.035 11 0 "[ . 1 . 2]" 1
303 1 22 LYS H 1 22 LYS HB2 . . 3.500 2.598 2.309 3.747 0.247 3 0 "[ . 1 . 2]" 1
304 1 22 LYS H 1 22 LYS HG2 . . 5.000 3.734 1.996 4.615 . 0 0 "[ . 1 . 2]" 1
305 1 22 LYS H 1 22 LYS HG3 . . 3.500 3.386 2.419 4.483 0.983 4 7 "[ +**** 1 .-* 2]" 1
306 1 22 LYS H 1 24 TYR QB . . 6.000 6.440 5.528 6.661 0.661 2 12 "[*+*** -*1 ** * * *2]" 1
307 1 23 GLN H 1 23 GLN HB2 . . 3.500 2.443 2.303 3.789 0.289 11 0 "[ . 1 . 2]" 1
308 1 23 GLN H 1 23 GLN HG2 . . 5.000 3.725 2.372 4.642 . 0 0 "[ . 1 . 2]" 1
309 1 23 GLN H 1 23 GLN HG3 . . 5.000 3.020 2.415 4.474 . 0 0 "[ . 1 . 2]" 1
310 1 23 GLN HA 1 24 TYR H . . 2.600 2.185 2.119 2.259 . 0 0 "[ . 1 . 2]" 1
311 1 23 GLN HE21 1 48 ILE HB . . 5.000 5.253 4.044 5.842 0.842 6 6 "[ *.+ *-1 * *2]" 1
312 1 23 GLN HE21 1 48 ILE MD . . 6.000 3.533 2.711 5.125 . 0 0 "[ . 1 . 2]" 1
313 1 23 GLN HE21 1 48 ILE HG12 . . 5.000 4.928 3.126 5.818 0.818 1 3 "[+ .* 1 . -]" 1
314 1 23 GLN HE21 1 48 ILE HG13 . . 5.000 3.450 2.623 4.255 . 0 0 "[ . 1 . 2]" 1
315 1 23 GLN HE21 1 48 ILE MG . . 6.000 3.569 2.277 4.934 . 0 0 "[ . 1 . 2]" 1
316 1 23 GLN HE22 1 48 ILE MD . . 6.000 3.850 3.025 4.861 . 0 0 "[ . 1 . 2]" 1
317 1 23 GLN HG2 1 48 ILE MD . . 6.000 4.241 3.360 6.886 0.886 17 1 "[ . 1 . + 2]" 1
318 1 24 TYR CG 1 26 GLU QB . . 7.200 6.034 4.425 6.962 . 0 0 "[ . 1 . 2]" 1
319 1 24 TYR CG 1 26 GLU QG . . 7.200 5.298 4.042 7.427 0.227 9 0 "[ . 1 . 2]" 1
320 1 24 TYR HA 1 25 TYR H . . 2.600 2.165 2.031 2.268 . 0 0 "[ . 1 . 2]" 1
321 1 25 TYR CG 1 27 TYR CG . . 7.900 6.113 5.023 6.865 . 0 0 "[ . 1 . 2]" 1
322 1 25 TYR HA 1 26 GLU H . . 2.600 2.166 2.110 2.335 . 0 0 "[ . 1 . 2]" 1
323 1 25 TYR QB 1 26 GLU H . . 5.000 3.183 2.514 3.833 . 0 0 "[ . 1 . 2]" 1
324 1 25 TYR QB 1 27 TYR CG . . 7.200 5.604 3.483 7.608 0.408 10 0 "[ . 1 . 2]" 1
325 1 26 GLU H 1 26 GLU QB . . 3.500 2.634 2.435 3.429 . 0 0 "[ . 1 . 2]" 1
326 1 26 GLU QB 1 27 TYR H . . 5.000 3.560 2.247 4.078 . 0 0 "[ . 1 . 2]" 1
327 1 26 GLU QB 1 28 HIS HD2 . . 5.000 3.146 2.327 4.454 . 0 0 "[ . 1 . 2]" 1
328 1 26 GLU QG 1 28 HIS HD2 . . 5.000 4.501 2.359 5.594 0.594 9 2 "[ - +1 . 2]" 1
329 1 27 TYR HA 1 28 HIS H . . 2.600 2.182 2.040 2.320 . 0 0 "[ . 1 . 2]" 1
330 1 27 TYR HA 1 28 HIS HD2 . . 5.000 4.075 3.534 4.512 . 0 0 "[ . 1 . 2]" 1
331 1 28 HIS HA 1 29 LYS H . . 2.600 2.242 2.109 2.347 . 0 0 "[ . 1 . 2]" 1
332 1 28 HIS HB2 1 29 LYS H . . 5.000 4.428 3.995 4.556 . 0 0 "[ . 1 . 2]" 1
333 1 28 HIS HB2 1 39 LEU QD . . 7.000 2.758 2.310 3.781 . 0 0 "[ . 1 . 2]" 1
334 1 28 HIS HB3 1 29 LYS H . . 5.000 3.851 2.964 4.229 . 0 0 "[ . 1 . 2]" 1
335 1 28 HIS HB3 1 39 LEU QD . . 7.000 3.377 2.574 4.446 . 0 0 "[ . 1 . 2]" 1
336 1 28 HIS HD2 1 36 PHE CG . . 7.200 8.605 8.285 9.007 1.807 18 20 [***********-*****+**] 1
337 1 28 HIS HD2 1 39 LEU QD . . 6.000 2.267 2.061 2.624 . 0 0 "[ . 1 . 2]" 1
338 1 28 HIS HE1 1 39 LEU QD . . 6.000 3.557 3.064 4.112 . 0 0 "[ . 1 . 2]" 1
339 1 29 LYS H 1 29 LYS HG2 . . 5.000 3.514 2.052 4.533 . 0 0 "[ . 1 . 2]" 1
340 1 29 LYS H 1 29 LYS HG3 . . 5.000 3.129 2.138 4.791 . 0 0 "[ . 1 . 2]" 1
341 1 29 LYS H 1 31 LEU MD1 . . 6.000 5.230 3.722 6.187 0.187 13 0 "[ . 1 . 2]" 1
342 1 29 LYS HA 1 30 GLY H . . 2.600 2.360 2.209 2.608 0.008 13 0 "[ . 1 . 2]" 1
343 1 29 LYS HA 1 31 LEU H . . 5.000 3.604 3.221 4.739 . 0 0 "[ . 1 . 2]" 1
344 1 29 LYS HB2 1 30 GLY H . . 5.000 3.000 2.271 4.375 . 0 0 "[ . 1 . 2]" 1
345 1 29 LYS HB3 1 30 GLY H . . 5.000 3.531 2.567 4.404 . 0 0 "[ . 1 . 2]" 1
346 1 29 LYS HG2 1 30 GLY H . . 5.000 4.178 2.230 5.208 0.208 13 0 "[ . 1 . 2]" 1
347 1 30 GLY H 1 31 LEU H . . 3.500 2.515 2.271 2.833 . 0 0 "[ . 1 . 2]" 1
348 1 30 GLY HA2 1 31 LEU H . . 5.000 2.878 2.686 3.065 . 0 0 "[ . 1 . 2]" 1
349 1 30 GLY HA3 1 31 LEU H . . 3.500 3.563 3.517 3.625 0.125 7 0 "[ . 1 . 2]" 1
350 1 31 LEU H 1 31 LEU HB3 . . 3.500 3.420 3.170 3.751 0.251 7 0 "[ . 1 . 2]" 1
351 1 31 LEU H 1 31 LEU HG . . 3.500 2.686 2.140 3.401 . 0 0 "[ . 1 . 2]" 1
352 1 31 LEU H 1 32 SER H . . 5.000 4.382 4.224 4.534 . 0 0 "[ . 1 . 2]" 1
353 1 31 LEU H 1 35 ASP QB . . 6.000 5.246 5.132 5.326 . 0 0 "[ . 1 . 2]" 1
354 1 31 LEU HA 1 31 LEU MD1 . . 3.600 3.723 3.641 4.106 0.506 12 1 "[ . 1 + . 2]" 1
355 1 31 LEU HB2 1 32 SER H . . 5.000 2.335 2.015 3.416 . 0 0 "[ . 1 . 2]" 1
356 1 31 LEU HB2 1 35 ASP QB . . 3.500 2.398 1.972 3.725 0.225 19 0 "[ . 1 . 2]" 1
357 1 31 LEU HB3 1 32 SER H . . 5.000 3.312 1.929 3.801 . 0 0 "[ . 1 . 2]" 1
358 1 31 LEU HB3 1 35 ASP QB . . 5.000 3.190 2.081 3.574 . 0 0 "[ . 1 . 2]" 1
359 1 31 LEU MD1 1 32 SER H . . 6.000 2.963 2.448 3.853 . 0 0 "[ . 1 . 2]" 1
360 1 31 LEU MD1 1 35 ASP QB . . 6.000 2.303 2.116 2.583 . 0 0 "[ . 1 . 2]" 1
361 1 31 LEU MD1 1 36 PHE CG . . 8.200 4.924 4.238 6.566 . 0 0 "[ . 1 . 2]" 1
362 1 31 LEU MD2 1 35 ASP QB . . 6.000 2.456 2.073 4.106 . 0 0 "[ . 1 . 2]" 1
363 1 31 LEU MD2 1 36 PHE CG . . 8.200 6.369 5.625 8.751 0.551 7 1 "[ . + 1 . 2]" 1
364 1 31 LEU HG 1 35 ASP QB . . 5.000 4.194 3.007 4.372 . 0 0 "[ . 1 . 2]" 1
365 1 32 SER H 1 33 LEU H . . 5.000 4.441 4.344 4.512 . 0 0 "[ . 1 . 2]" 1
366 1 32 SER H 1 35 ASP H . . 5.000 3.234 3.022 3.417 . 0 0 "[ . 1 . 2]" 1
367 1 32 SER H 1 35 ASP QB . . 3.500 2.015 1.805 2.220 . 0 0 "[ . 1 . 2]" 1
368 1 32 SER HA 1 33 LEU H . . 3.500 2.585 2.505 2.712 . 0 0 "[ . 1 . 2]" 1
369 1 32 SER HA 1 34 SER H . . 5.000 4.646 4.518 4.879 . 0 0 "[ . 1 . 2]" 1
370 1 32 SER HA 1 35 ASP H . . 5.000 4.608 4.535 4.813 . 0 0 "[ . 1 . 2]" 1
371 1 32 SER HB2 1 33 LEU H . . 3.500 2.305 2.217 2.425 . 0 0 "[ . 1 . 2]" 1
372 1 32 SER HB2 1 34 SER H . . 5.000 3.760 3.433 4.326 . 0 0 "[ . 1 . 2]" 1
373 1 33 LEU H 1 34 SER H . . 3.500 2.838 2.723 2.981 . 0 0 "[ . 1 . 2]" 1
374 1 33 LEU HA 1 33 LEU QD . . 3.600 2.073 1.954 2.286 . 0 0 "[ . 1 . 2]" 1
375 1 33 LEU HA 1 52 LEU QD . . 6.000 3.296 2.749 3.764 . 0 0 "[ . 1 . 2]" 1
376 1 33 LEU HB3 2 40 TYR CG . . 7.200 6.591 5.925 7.375 0.175 12 0 "[ . 1 . 2]" 1
377 1 33 LEU HB3 2 40 TYR CZ . . 7.200 3.910 3.470 4.921 . 0 0 "[ . 1 . 2]" 1
378 1 33 LEU QD 1 34 SER H . . 6.000 4.130 3.768 4.378 . 0 0 "[ . 1 . 2]" 1
379 1 33 LEU QD 1 36 PHE CG . . 6.700 3.953 3.395 4.531 . 0 0 "[ . 1 . 2]" 1
380 1 33 LEU QD 1 36 PHE HB3 . . 6.000 3.182 2.695 3.626 . 0 0 "[ . 1 . 2]" 1
381 1 33 LEU QD 1 52 LEU QD . . 5.500 1.959 1.833 2.113 . 0 0 "[ . 1 . 2]" 1
382 1 33 LEU QD 2 40 TYR CG . . 8.200 5.169 4.856 5.928 . 0 0 "[ . 1 . 2]" 1
383 1 33 LEU QD 2 40 TYR CZ . . 6.700 3.473 3.140 4.307 . 0 0 "[ . 1 . 2]" 1
384 1 33 LEU QD 2 40 TYR QB . . 6.000 5.793 5.516 6.440 0.440 6 0 "[ . 1 . 2]" 1
385 1 33 LEU QD 2 47 ILE MD . . 7.000 3.287 2.559 4.144 . 0 0 "[ . 1 . 2]" 1
386 1 33 LEU HG 2 47 ILE MD . . 6.000 5.258 4.207 6.010 0.010 9 0 "[ . 1 . 2]" 1
387 1 34 SER H 1 34 SER HB2 . . 2.600 2.623 2.310 3.551 0.951 18 4 "[ . * - .* + 2]" 1
388 1 34 SER H 1 34 SER HB3 . . 3.500 3.364 2.583 3.562 0.062 7 0 "[ . 1 . 2]" 1
389 1 34 SER H 1 35 ASP H . . 3.500 2.616 2.439 2.724 . 0 0 "[ . 1 . 2]" 1
390 1 34 SER H 1 36 PHE H . . 5.000 4.074 3.927 4.219 . 0 0 "[ . 1 . 2]" 1
391 1 34 SER HA 1 35 ASP H . . 5.000 3.536 3.483 3.594 . 0 0 "[ . 1 . 2]" 1
392 1 34 SER HA 1 36 PHE CG . . 7.200 6.732 6.407 6.924 . 0 0 "[ . 1 . 2]" 1
393 1 34 SER HA 1 37 GLU H . . 3.500 3.345 3.171 3.465 . 0 0 "[ . 1 . 2]" 1
394 1 34 SER HA 1 37 GLU QB . . 3.500 2.494 2.222 2.833 . 0 0 "[ . 1 . 2]" 1
395 1 34 SER HA 1 37 GLU QG . . 3.500 3.562 3.184 4.081 0.581 8 1 "[ . + 1 . 2]" 1
396 1 34 SER HA 1 38 VAL H . . 5.000 4.518 4.096 4.754 . 0 0 "[ . 1 . 2]" 1
397 1 34 SER HB2 1 35 ASP H . . 3.500 3.169 2.841 3.930 0.430 16 0 "[ . 1 . 2]" 1
398 1 34 SER HB3 1 35 ASP H . . 5.000 3.969 3.657 4.221 . 0 0 "[ . 1 . 2]" 1
399 1 35 ASP H 1 35 ASP QB . . 3.500 2.383 2.109 2.490 . 0 0 "[ . 1 . 2]" 1
400 1 35 ASP H 1 36 PHE H . . 3.500 2.342 2.204 2.481 . 0 0 "[ . 1 . 2]" 1
401 1 35 ASP H 1 38 VAL HB . . 6.000 5.479 5.233 5.644 . 0 0 "[ . 1 . 2]" 1
402 1 35 ASP H 1 38 VAL MG1 . . 7.000 6.545 6.347 6.678 . 0 0 "[ . 1 . 2]" 1
403 1 35 ASP H 1 38 VAL MG2 . . 6.000 4.747 4.632 4.910 . 0 0 "[ . 1 . 2]" 1
404 1 35 ASP HA 1 38 VAL H . . 3.500 3.135 2.997 3.335 . 0 0 "[ . 1 . 2]" 1
405 1 35 ASP HA 1 38 VAL HB . . 3.500 2.753 2.469 2.955 . 0 0 "[ . 1 . 2]" 1
406 1 35 ASP HA 1 38 VAL MG1 . . 4.500 4.141 3.926 4.291 . 0 0 "[ . 1 . 2]" 1
407 1 35 ASP HA 1 38 VAL MG2 . . 4.500 2.708 2.350 3.134 . 0 0 "[ . 1 . 2]" 1
408 1 35 ASP HA 1 39 LEU H . . 5.000 4.200 3.960 4.412 . 0 0 "[ . 1 . 2]" 1
409 1 35 ASP QB 1 36 PHE H . . 5.000 2.674 2.564 2.895 . 0 0 "[ . 1 . 2]" 1
410 1 36 PHE CG 1 37 GLU QB . . 7.200 5.425 4.896 5.764 . 0 0 "[ . 1 . 2]" 1
411 1 36 PHE CG 1 37 GLU QG . . 5.700 4.654 4.036 6.696 0.996 12 2 "[ . - 1 + . 2]" 1
412 1 36 PHE CG 1 39 LEU HB2 . . 7.200 6.006 5.675 6.421 . 0 0 "[ . 1 . 2]" 1
413 1 36 PHE CG 1 39 LEU HB3 . . 7.200 4.616 4.210 5.093 . 0 0 "[ . 1 . 2]" 1
414 1 36 PHE CG 1 39 LEU QD . . 8.200 4.687 4.033 5.949 . 0 0 "[ . 1 . 2]" 1
415 1 36 PHE CG 1 40 TYR CG . . 9.400 6.056 5.759 6.372 . 0 0 "[ . 1 . 2]" 1
416 1 36 PHE CG 1 40 TYR HA . . 7.200 6.458 6.171 6.768 . 0 0 "[ . 1 . 2]" 1
417 1 36 PHE CG 1 40 TYR QB . . 7.200 4.033 3.807 4.231 . 0 0 "[ . 1 . 2]" 1
418 1 36 PHE CG 1 52 LEU QD . . 6.700 2.781 2.624 3.102 . 0 0 "[ . 1 . 2]" 1
419 1 36 PHE CZ 1 39 LEU QD . . 8.200 5.363 3.967 6.333 . 0 0 "[ . 1 . 2]" 1
420 1 36 PHE CZ 1 40 TYR HA . . 7.200 5.650 5.041 6.142 . 0 0 "[ . 1 . 2]" 1
421 1 36 PHE CZ 1 40 TYR QB . . 7.200 3.271 2.856 3.646 . 0 0 "[ . 1 . 2]" 1
422 1 36 PHE CZ 1 50 LEU QB . . 7.200 5.278 4.420 5.766 . 0 0 "[ . 1 . 2]" 1
423 1 36 PHE CZ 2 50 LEU QD . . 6.700 3.238 2.726 3.868 . 0 0 "[ . 1 . 2]" 1
424 1 36 PHE H 1 36 PHE HB3 . . 3.500 2.305 2.211 2.428 . 0 0 "[ . 1 . 2]" 1
425 1 36 PHE H 1 37 GLU H . . 3.500 2.786 2.635 2.866 . 0 0 "[ . 1 . 2]" 1
426 1 36 PHE HA 1 39 LEU H . . 3.500 3.250 3.106 3.421 . 0 0 "[ . 1 . 2]" 1
427 1 36 PHE HA 1 39 LEU HB2 . . 5.000 3.425 3.134 3.750 . 0 0 "[ . 1 . 2]" 1
428 1 36 PHE HA 1 39 LEU HB3 . . 3.500 2.599 2.261 3.095 . 0 0 "[ . 1 . 2]" 1
429 1 36 PHE HA 1 39 LEU QD . . 6.000 3.394 3.067 4.478 . 0 0 "[ . 1 . 2]" 1
430 1 36 PHE HA 1 40 TYR H . . 5.000 3.794 3.653 3.999 . 0 0 "[ . 1 . 2]" 1
431 1 36 PHE HB2 1 37 GLU H . . 5.000 4.037 3.847 4.126 . 0 0 "[ . 1 . 2]" 1
432 1 36 PHE HB2 1 52 LEU QD . . 6.000 2.570 2.274 3.066 . 0 0 "[ . 1 . 2]" 1
433 1 36 PHE HB3 1 37 GLU H . . 3.500 2.685 2.437 2.825 . 0 0 "[ . 1 . 2]" 1
434 1 36 PHE HB3 1 52 LEU QD . . 6.000 3.181 2.946 3.581 . 0 0 "[ . 1 . 2]" 1
435 1 36 PHE HZ 1 40 TYR QB . . 5.000 3.451 2.958 3.909 . 0 0 "[ . 1 . 2]" 1
436 1 36 PHE HZ 1 50 LEU QB . . 5.000 4.873 4.049 5.327 0.327 9 0 "[ . 1 . 2]" 1
437 1 36 PHE HZ 2 50 LEU QD . . 4.500 2.977 2.378 3.672 . 0 0 "[ . 1 . 2]" 1
438 1 37 GLU H 1 37 GLU QB . . 3.500 2.228 1.987 2.354 . 0 0 "[ . 1 . 2]" 1
439 1 37 GLU H 1 37 GLU QG . . 3.500 2.656 2.253 4.022 0.522 12 2 "[ . - 1 + . 2]" 1
440 1 37 GLU H 1 38 VAL H . . 3.500 2.842 2.777 2.898 . 0 0 "[ . 1 . 2]" 1
441 1 37 GLU H 1 39 LEU H . . 5.000 4.440 4.361 4.545 . 0 0 "[ . 1 . 2]" 1
442 1 37 GLU HA 1 38 VAL H . . 5.000 3.550 3.517 3.596 . 0 0 "[ . 1 . 2]" 1
443 1 37 GLU HA 1 39 LEU H . . 5.000 4.672 4.544 4.819 . 0 0 "[ . 1 . 2]" 1
444 1 37 GLU HA 1 40 TYR CG . . 5.700 4.520 4.128 5.086 . 0 0 "[ . 1 . 2]" 1
445 1 37 GLU HA 1 40 TYR CZ . . 7.200 6.680 6.075 7.255 0.055 12 0 "[ . 1 . 2]" 1
446 1 37 GLU HA 1 40 TYR H . . 5.000 3.643 3.435 3.969 . 0 0 "[ . 1 . 2]" 1
447 1 37 GLU HA 1 41 GLY H . . 5.000 3.755 3.406 4.219 . 0 0 "[ . 1 . 2]" 1
448 1 37 GLU QB 1 38 VAL H . . 3.500 2.816 2.554 3.038 . 0 0 "[ . 1 . 2]" 1
449 1 37 GLU QB 1 40 TYR CG . . 7.200 6.290 5.835 6.952 . 0 0 "[ . 1 . 2]" 1
450 1 37 GLU QB 1 40 TYR CZ . . 7.200 7.946 7.179 8.796 1.596 12 15 "[ **-* **** +*** ***]" 1
451 1 37 GLU QG 1 40 TYR CG . . 7.200 5.585 5.017 6.681 . 0 0 "[ . 1 . 2]" 1
452 1 37 GLU QG 2 40 TYR CZ . . 5.700 3.897 3.286 5.491 . 0 0 "[ . 1 . 2]" 1
453 1 38 VAL H 1 38 VAL HB . . 3.500 2.497 2.418 2.591 . 0 0 "[ . 1 . 2]" 1
454 1 38 VAL H 1 38 VAL MG1 . . 3.600 3.818 3.790 3.846 0.246 1 0 "[ . 1 . 2]" 1
455 1 38 VAL H 1 39 LEU H . . 3.500 2.700 2.588 2.895 . 0 0 "[ . 1 . 2]" 1
456 1 38 VAL H 1 40 TYR H . . 5.000 4.258 4.118 4.498 . 0 0 "[ . 1 . 2]" 1
457 1 38 VAL HA 1 38 VAL MG1 . . 3.600 2.451 2.373 2.552 . 0 0 "[ . 1 . 2]" 1
458 1 38 VAL HA 1 39 LEU H . . 5.000 3.611 3.578 3.645 . 0 0 "[ . 1 . 2]" 1
459 1 38 VAL HA 1 41 GLY H . . 5.000 3.512 3.356 3.680 . 0 0 "[ . 1 . 2]" 1
460 1 38 VAL HA 1 42 ASN H . . 5.000 3.893 3.237 4.372 . 0 0 "[ . 1 . 2]" 1
461 1 38 VAL HB 1 39 LEU H . . 3.500 2.589 2.511 2.678 . 0 0 "[ . 1 . 2]" 1
462 1 38 VAL MG1 1 39 LEU H . . 6.000 3.299 3.134 3.458 . 0 0 "[ . 1 . 2]" 1
463 1 38 VAL MG2 1 39 LEU H . . 3.500 3.949 3.878 4.060 0.560 8 3 "[ . *+-1 . 2]" 1
464 1 39 LEU H 1 39 LEU HB2 . . 2.600 2.449 2.256 2.556 . 0 0 "[ . 1 . 2]" 1
465 1 39 LEU H 1 39 LEU HB3 . . 3.500 2.494 2.376 2.799 . 0 0 "[ . 1 . 2]" 1
466 1 39 LEU H 1 39 LEU QD . . 4.500 3.695 3.595 3.743 . 0 0 "[ . 1 . 2]" 1
467 1 39 LEU H 1 39 LEU HG . . 5.000 4.490 4.419 4.593 . 0 0 "[ . 1 . 2]" 1
468 1 39 LEU H 1 40 TYR H . . 3.500 2.865 2.777 2.965 . 0 0 "[ . 1 . 2]" 1
469 1 39 LEU HA 1 42 ASN H . . 5.000 3.705 3.384 4.151 . 0 0 "[ . 1 . 2]" 1
470 1 39 LEU HA 1 42 ASN QB . . 3.500 3.267 2.816 3.793 0.293 11 0 "[ . 1 . 2]" 1
471 1 39 LEU HB3 1 40 TYR H . . 3.500 2.467 2.348 2.623 . 0 0 "[ . 1 . 2]" 1
472 1 39 LEU QD 1 40 TYR H . . 6.000 3.717 2.860 3.967 . 0 0 "[ . 1 . 2]" 1
473 1 40 TYR CG 1 44 ALA MB . . 8.200 5.584 3.258 8.702 0.502 11 1 "[ . 1+ . 2]" 1
474 1 40 TYR CG 1 50 LEU QD . . 6.700 4.122 3.505 4.613 . 0 0 "[ . 1 . 2]" 1
475 1 40 TYR CG 2 33 LEU HB3 . . 7.200 6.533 6.107 6.942 . 0 0 "[ . 1 . 2]" 1
476 1 40 TYR CG 2 33 LEU QD . . 8.200 5.069 4.613 5.761 . 0 0 "[ . 1 . 2]" 1
477 1 40 TYR CG 2 52 LEU QD . . 8.200 5.516 4.639 6.211 . 0 0 "[ . 1 . 2]" 1
478 1 40 TYR CZ 1 44 ALA MB . . 8.200 6.068 3.599 9.013 0.813 11 2 "[ . 1+ . - 2]" 1
479 1 40 TYR CZ 1 47 ILE MD . . 8.200 5.691 4.677 7.109 . 0 0 "[ . 1 . 2]" 1
480 1 40 TYR CZ 1 50 LEU QD . . 8.200 4.773 4.050 5.530 . 0 0 "[ . 1 . 2]" 1
481 1 40 TYR CZ 2 33 LEU HB3 . . 7.200 3.887 3.616 4.600 . 0 0 "[ . 1 . 2]" 1
482 1 40 TYR CZ 2 33 LEU QD . . 6.700 3.464 2.970 4.382 . 0 0 "[ . 1 . 2]" 1
483 1 40 TYR CZ 2 37 GLU QG . . 5.700 3.734 3.175 5.790 0.090 13 0 "[ . 1 . 2]" 1
484 1 40 TYR CZ 2 52 LEU QD . . 8.200 4.672 3.835 5.251 . 0 0 "[ . 1 . 2]" 1
485 1 40 TYR H 1 40 TYR QB . . 3.500 2.161 2.083 2.217 . 0 0 "[ . 1 . 2]" 1
486 1 40 TYR H 1 41 GLY H . . 3.500 2.776 2.662 2.869 . 0 0 "[ . 1 . 2]" 1
487 1 40 TYR HA 1 43 THR H . . 5.000 4.128 3.705 4.768 . 0 0 "[ . 1 . 2]" 1
488 1 40 TYR HA 1 43 THR MG . . 6.000 5.125 2.047 5.884 . 0 0 "[ . 1 . 2]" 1
489 1 40 TYR QB 1 41 GLY H . . 3.500 2.735 2.398 3.105 . 0 0 "[ . 1 . 2]" 1
490 1 40 TYR QB 2 33 LEU QD . . 6.000 5.687 5.215 6.301 0.301 8 0 "[ . 1 . 2]" 1
491 1 41 GLY H 1 42 ASN H . . 3.500 2.639 2.358 2.903 . 0 0 "[ . 1 . 2]" 1
492 1 41 GLY HA2 1 42 ASN H . . 5.000 3.541 3.459 3.606 . 0 0 "[ . 1 . 2]" 1
493 1 41 GLY HA2 1 43 THR H . . 5.000 4.691 4.017 4.931 . 0 0 "[ . 1 . 2]" 1
494 1 41 GLY HA3 1 42 ASN H . . 5.000 3.041 2.860 3.152 . 0 0 "[ . 1 . 2]" 1
495 1 41 GLY HA3 1 43 THR H . . 5.000 4.943 4.596 5.130 0.130 19 0 "[ . 1 . 2]" 1
496 1 42 ASN H 1 42 ASN QB . . 2.600 2.253 2.172 2.367 . 0 0 "[ . 1 . 2]" 1
497 1 42 ASN H 1 43 THR HA . . 5.000 4.997 4.849 5.082 0.082 8 0 "[ . 1 . 2]" 1
498 1 42 ASN HA 1 43 THR H . . 5.000 3.513 3.336 3.565 . 0 0 "[ . 1 . 2]" 1
499 1 42 ASN QB 1 43 THR H . . 5.000 2.856 2.585 3.461 . 0 0 "[ . 1 . 2]" 1
500 1 43 THR H 1 43 THR MG . . 4.500 3.496 2.463 3.933 . 0 0 "[ . 1 . 2]" 1
501 1 43 THR H 1 44 ALA H . . 5.000 2.482 2.109 3.134 . 0 0 "[ . 1 . 2]" 1
502 1 43 THR HB 1 44 ALA H . . 3.500 3.136 2.303 3.489 . 0 0 "[ . 1 . 2]" 1
503 1 43 THR HB 1 44 ALA MB . . 6.000 4.538 3.865 4.893 . 0 0 "[ . 1 . 2]" 1
504 1 43 THR HB 1 45 ASP H . . 5.000 4.079 2.716 5.012 0.012 12 0 "[ . 1 . 2]" 1
505 1 43 THR MG 1 44 ALA H . . 6.000 3.981 3.286 4.389 . 0 0 "[ . 1 . 2]" 1
506 1 43 THR MG 1 45 ASP H . . 6.000 3.785 2.179 4.658 . 0 0 "[ . 1 . 2]" 1
507 1 44 ALA H 1 45 ASP H . . 5.000 3.281 2.878 3.828 . 0 0 "[ . 1 . 2]" 1
508 1 44 ALA MB 1 45 ASP H . . 6.000 3.571 3.222 3.765 . 0 0 "[ . 1 . 2]" 1
509 1 45 ASP HA 1 46 GLU H . . 3.500 2.517 2.037 3.539 0.039 19 0 "[ . 1 . 2]" 1
510 1 45 ASP QB 1 46 GLU H . . 3.500 3.270 2.099 4.063 0.563 3 1 "[ + . 1 . 2]" 1
511 1 46 GLU QG 1 48 ILE MD . . 6.000 4.438 2.297 6.514 0.514 20 1 "[ . 1 . +]" 1
512 1 47 ILE HA 1 47 ILE MD . . 4.500 2.853 2.141 3.871 . 0 0 "[ . 1 . 2]" 1
513 1 47 ILE HA 1 48 ILE H . . 2.600 2.106 2.009 2.269 . 0 0 "[ . 1 . 2]" 1
514 1 47 ILE MD 1 48 ILE H . . 3.500 2.886 2.101 3.587 0.087 13 0 "[ . 1 . 2]" 1
515 1 47 ILE MD 1 50 LEU H . . 6.000 4.102 3.010 5.750 . 0 0 "[ . 1 . 2]" 1
516 1 47 ILE MD 1 50 LEU QD . . 7.000 2.600 2.180 3.125 . 0 0 "[ . 1 . 2]" 1
517 1 47 ILE MD 1 50 LEU HG . . 6.000 4.041 2.375 5.624 . 0 0 "[ . 1 . 2]" 1
518 1 47 ILE MD 2 10 TYR CZ . . 6.700 5.582 3.883 7.033 0.333 20 0 "[ . 1 . 2]" 1
519 1 47 ILE MD 2 33 LEU QD . . 7.000 3.359 2.543 4.212 . 0 0 "[ . 1 . 2]" 1
520 1 47 ILE MD 2 33 LEU HG . . 6.000 5.510 4.484 6.070 0.070 6 0 "[ . 1 . 2]" 1
521 1 47 ILE MD 2 52 LEU QD . . 7.000 2.680 1.970 3.887 . 0 0 "[ . 1 . 2]" 1
522 1 47 ILE MG 1 49 LYS H . . 6.000 4.830 2.577 6.006 0.006 18 0 "[ . 1 . 2]" 1
523 1 47 ILE MG 2 10 TYR CG . . 8.200 5.095 4.528 5.841 . 0 0 "[ . 1 . 2]" 1
524 1 47 ILE MG 2 10 TYR CZ . . 5.800 3.579 2.926 4.944 . 0 0 "[ . 1 . 2]" 1
525 1 47 ILE MG 2 52 LEU QD . . 7.000 2.787 1.902 3.613 . 0 0 "[ . 1 . 2]" 1
526 1 48 ILE H 1 48 ILE HB . . 3.500 2.614 2.437 2.850 . 0 0 "[ . 1 . 2]" 1
527 1 48 ILE H 1 49 LYS H . . 2.600 2.147 1.950 2.419 . 0 0 "[ . 1 . 2]" 1
528 1 48 ILE H 2 54 LYS H . . 5.000 5.113 5.024 5.169 0.169 14 0 "[ . 1 . 2]" 1
529 1 48 ILE HA 1 48 ILE MD . . 3.600 2.223 2.086 2.438 . 0 0 "[ . 1 . 2]" 1
530 1 48 ILE HA 2 10 TYR CZ . . 7.200 5.280 4.498 6.081 . 0 0 "[ . 1 . 2]" 1
531 1 48 ILE HB 1 49 LYS H . . 3.500 2.382 2.191 2.542 . 0 0 "[ . 1 . 2]" 1
532 1 48 ILE MD 1 49 LYS H . . 6.000 4.706 4.598 4.829 . 0 0 "[ . 1 . 2]" 1
533 1 48 ILE MD 2 52 LEU QD . . 7.000 5.794 5.357 6.512 . 0 0 "[ . 1 . 2]" 1
534 1 48 ILE MD 2 54 LYS HA . . 6.000 5.613 4.673 6.004 0.004 6 0 "[ . 1 . 2]" 1
535 1 48 ILE MD 2 54 LYS HD2 . . 6.000 3.612 2.115 5.398 . 0 0 "[ . 1 . 2]" 1
536 1 48 ILE MD 2 54 LYS HD3 . . 6.000 3.193 2.260 4.489 . 0 0 "[ . 1 . 2]" 1
537 1 48 ILE MD 2 54 LYS HE2 . . 6.000 3.896 1.845 5.387 . 0 0 "[ . 1 . 2]" 1
538 1 48 ILE MD 2 54 LYS HE3 . . 6.000 3.937 2.720 5.378 . 0 0 "[ . 1 . 2]" 1
539 1 48 ILE MD 2 54 LYS HG2 . . 6.000 3.266 2.131 4.521 . 0 0 "[ . 1 . 2]" 1
540 1 48 ILE HG12 1 49 LYS H . . 5.000 4.131 3.917 4.404 . 0 0 "[ . 1 . 2]" 1
541 1 48 ILE HG13 1 49 LYS H . . 5.000 4.738 4.617 4.899 . 0 0 "[ . 1 . 2]" 1
542 1 48 ILE MG 2 53 ASP HA . . 6.000 4.515 3.750 4.886 . 0 0 "[ . 1 . 2]" 1
543 1 48 ILE MG 2 54 LYS HA . . 6.000 5.451 4.482 5.845 . 0 0 "[ . 1 . 2]" 1
544 1 49 LYS H 2 52 LEU QD . . 6.000 4.852 4.296 5.986 . 0 0 "[ . 1 . 2]" 1
545 1 49 LYS HA 1 50 LEU H . . 2.600 2.184 2.053 2.268 . 0 0 "[ . 1 . 2]" 1
546 1 49 LYS HA 2 53 ASP HA . . 2.600 2.372 2.206 2.489 . 0 0 "[ . 1 . 2]" 1
547 1 49 LYS HA 2 54 LYS H . . 5.000 3.514 3.317 3.746 . 0 0 "[ . 1 . 2]" 1
548 1 49 LYS HB2 2 53 ASP HA . . 5.000 4.511 2.645 5.214 0.214 2 0 "[ . 1 . 2]" 1
549 1 49 LYS HD3 2 53 ASP HA . . 5.000 4.894 2.191 5.687 0.687 4 1 "[ +. 1 . 2]" 1
550 1 49 LYS HG2 2 53 ASP HA . . 5.000 3.380 2.406 5.044 0.044 7 0 "[ . 1 . 2]" 1
551 1 49 LYS HG3 2 53 ASP HA . . 5.000 3.920 2.706 4.947 . 0 0 "[ . 1 . 2]" 1
552 1 50 LEU H 2 52 LEU H . . 5.000 2.964 2.656 3.374 . 0 0 "[ . 1 . 2]" 1
553 1 50 LEU H 2 52 LEU QB . . 5.000 3.546 3.071 3.966 . 0 0 "[ . 1 . 2]" 1
554 1 50 LEU H 2 52 LEU QD . . 6.000 3.567 2.792 4.740 . 0 0 "[ . 1 . 2]" 1
555 1 50 LEU H 2 53 ASP HA . . 5.000 3.726 3.424 3.961 . 0 0 "[ . 1 . 2]" 1
556 1 50 LEU HA 1 51 ARG H . . 2.600 2.165 2.061 2.282 . 0 0 "[ . 1 . 2]" 1
557 1 50 LEU QD 1 51 ARG H . . 6.000 2.918 2.335 3.333 . 0 0 "[ . 1 . 2]" 1
558 1 50 LEU QD 2 36 PHE CZ . . 6.700 3.458 2.824 3.980 . 0 0 "[ . 1 . 2]" 1
559 1 50 LEU QD 2 36 PHE HZ . . 4.500 3.255 2.429 3.737 . 0 0 "[ . 1 . 2]" 1
560 1 50 LEU QD 2 52 LEU QD . . 5.500 2.343 2.079 2.633 . 0 0 "[ . 1 . 2]" 1
561 1 50 LEU HG 2 52 LEU QD . . 6.000 3.620 2.262 4.681 . 0 0 "[ . 1 . 2]" 1
562 1 50 LEU N 2 52 LEU O . . 3.500 2.826 2.734 2.950 . 0 0 "[ . 1 . 2]" 1
563 1 50 LEU O 2 52 LEU N . . 3.500 2.874 2.740 3.300 . 0 0 "[ . 1 . 2]" 1
564 1 51 ARG H 1 51 ARG QD . . 5.000 4.861 4.180 5.204 0.204 8 0 "[ . 1 . 2]" 1
565 1 51 ARG H 1 51 ARG HG2 . . 5.000 4.464 3.595 4.717 . 0 0 "[ . 1 . 2]" 1
566 1 51 ARG H 1 51 ARG HG3 . . 5.000 4.581 3.245 4.949 . 0 0 "[ . 1 . 2]" 1
567 1 51 ARG HA 1 52 LEU H . . 2.600 2.167 2.090 2.252 . 0 0 "[ . 1 . 2]" 1
568 1 51 ARG HB2 1 52 LEU H . . 5.000 4.388 3.891 4.642 . 0 0 "[ . 1 . 2]" 1
569 1 51 ARG HB3 1 52 LEU H . . 5.000 3.942 2.713 4.464 . 0 0 "[ . 1 . 2]" 1
570 1 51 ARG QD 2 13 THR MG . . 6.000 6.614 5.371 6.890 0.890 2 16 "[ +**** **- * *******]" 1
571 1 52 LEU H 2 50 LEU H . . 5.000 3.020 2.739 3.302 . 0 0 "[ . 1 . 2]" 1
572 1 52 LEU HA 1 53 ASP H . . 2.600 2.165 2.106 2.257 . 0 0 "[ . 1 . 2]" 1
573 1 52 LEU QB 1 53 ASP H . . 5.000 3.679 3.587 3.857 . 0 0 "[ . 1 . 2]" 1
574 1 52 LEU QB 2 50 LEU H . . 5.000 3.430 2.757 4.039 . 0 0 "[ . 1 . 2]" 1
575 1 52 LEU QD 1 53 ASP H . . 5.000 3.001 2.309 3.359 . 0 0 "[ . 1 . 2]" 1
576 1 52 LEU QD 2 40 TYR CG . . 8.200 5.658 5.092 6.137 . 0 0 "[ . 1 . 2]" 1
577 1 52 LEU QD 2 40 TYR CZ . . 8.200 4.713 4.053 5.211 . 0 0 "[ . 1 . 2]" 1
578 1 52 LEU QD 2 47 ILE MD . . 7.000 2.739 1.837 3.943 . 0 0 "[ . 1 . 2]" 1
579 1 52 LEU QD 2 47 ILE MG . . 7.000 2.646 1.903 3.891 . 0 0 "[ . 1 . 2]" 1
580 1 52 LEU QD 2 48 ILE MD . . 7.000 5.687 5.394 6.447 . 0 0 "[ . 1 . 2]" 1
581 1 52 LEU QD 2 49 LYS H . . 6.000 4.603 4.051 5.825 . 0 0 "[ . 1 . 2]" 1
582 1 52 LEU QD 2 50 LEU H . . 6.000 3.312 2.967 4.491 . 0 0 "[ . 1 . 2]" 1
583 1 52 LEU QD 2 50 LEU QD . . 5.500 2.345 2.105 2.692 . 0 0 "[ . 1 . 2]" 1
584 1 52 LEU QD 2 50 LEU HG . . 6.000 3.438 2.283 4.563 . 0 0 "[ . 1 . 2]" 1
585 1 52 LEU HG 1 53 ASP H . . 5.000 2.661 2.341 3.381 . 0 0 "[ . 1 . 2]" 1
586 1 52 LEU N 2 50 LEU O . . 3.500 2.835 2.691 2.976 . 0 0 "[ . 1 . 2]" 1
587 1 52 LEU O 2 50 LEU N . . 3.500 2.825 2.697 2.961 . 0 0 "[ . 1 . 2]" 1
588 1 53 ASP H 1 53 ASP HB2 . . 3.500 2.954 2.467 3.984 0.484 15 0 "[ . 1 . 2]" 1
589 1 53 ASP HA 1 54 LYS H . . 2.600 2.227 2.188 2.282 . 0 0 "[ . 1 . 2]" 1
590 1 53 ASP HA 2 48 ILE MG . . 6.000 4.605 4.113 4.927 . 0 0 "[ . 1 . 2]" 1
591 1 53 ASP HA 2 49 LYS HA . . 2.600 2.360 2.217 2.545 . 0 0 "[ . 1 . 2]" 1
592 1 53 ASP HA 2 49 LYS HB2 . . 5.000 4.613 2.914 5.269 0.269 19 0 "[ . 1 . 2]" 1
593 1 53 ASP HA 2 49 LYS QD . . 5.000 4.801 4.145 5.646 0.646 15 1 "[ . 1 + 2]" 1
594 1 53 ASP HA 2 49 LYS HG2 . . 5.000 3.386 2.435 4.785 . 0 0 "[ . 1 . 2]" 1
595 1 53 ASP HA 2 49 LYS HG3 . . 5.000 3.950 2.645 5.032 0.032 11 0 "[ . 1 . 2]" 1
596 1 53 ASP HA 2 50 LEU H . . 5.000 3.739 3.538 3.969 . 0 0 "[ . 1 . 2]" 1
597 1 54 LYS H 1 54 LYS HB3 . . 3.500 2.475 2.219 2.646 . 0 0 "[ . 1 . 2]" 1
598 1 54 LYS H 2 48 ILE H . . 5.000 5.115 5.059 5.168 0.168 14 0 "[ . 1 . 2]" 1
599 1 54 LYS H 2 49 LYS HA . . 5.000 3.533 3.155 3.698 . 0 0 "[ . 1 . 2]" 1
600 1 54 LYS HA 1 55 VAL H . . 2.600 2.188 2.062 2.729 0.129 9 0 "[ . 1 . 2]" 1
601 1 54 LYS HA 1 56 LEU H . . 6.000 5.912 3.807 6.117 0.117 8 0 "[ . 1 . 2]" 1
602 1 54 LYS HA 2 48 ILE MD . . 6.000 5.699 5.182 6.041 0.041 8 0 "[ . 1 . 2]" 1
603 1 54 LYS HA 2 48 ILE MG . . 6.000 5.606 5.037 5.942 . 0 0 "[ . 1 . 2]" 1
604 1 54 LYS HD2 2 48 ILE MD . . 6.000 3.618 2.045 5.281 . 0 0 "[ . 1 . 2]" 1
605 1 54 LYS HD3 2 48 ILE MD . . 6.000 3.757 2.213 4.675 . 0 0 "[ . 1 . 2]" 1
606 1 54 LYS HE2 2 48 ILE MD . . 6.000 3.876 2.044 5.569 . 0 0 "[ . 1 . 2]" 1
607 1 54 LYS HE3 2 48 ILE MD . . 6.000 3.421 1.938 4.813 . 0 0 "[ . 1 . 2]" 1
608 1 54 LYS HG2 2 48 ILE MD . . 6.000 2.855 2.106 4.662 . 0 0 "[ . 1 . 2]" 1
609 1 55 VAL H 1 55 VAL MG1 . . 4.500 3.095 1.992 4.039 . 0 0 "[ . 1 . 2]" 1
610 1 55 VAL HA 1 56 LEU H . . 2.600 2.106 1.897 2.743 0.143 15 0 "[ . 1 . 2]" 1
611 1 55 VAL HB 1 56 LEU H . . 3.500 3.294 2.358 3.635 0.135 15 0 "[ . 1 . 2]" 1
612 2 2 VAL MG1 2 4 ASN H . . 6.000 4.844 2.453 6.089 0.089 11 0 "[ . 1 . 2]" 1
613 2 3 GLN H 2 3 GLN HB2 . . 3.500 2.661 2.236 3.630 0.130 14 0 "[ . 1 . 2]" 1
614 2 3 GLN H 2 3 GLN HB3 . . 3.500 3.079 2.262 3.575 0.075 6 0 "[ . 1 . 2]" 1
615 2 3 GLN H 2 3 GLN HG2 . . 5.000 3.708 2.042 4.847 . 0 0 "[ . 1 . 2]" 1
616 2 3 GLN HA 2 4 ASN H . . 2.600 2.331 2.091 2.806 0.206 8 0 "[ . 1 . 2]" 1
617 2 3 GLN HA 2 5 ASP H . . 6.000 3.879 2.970 5.473 . 0 0 "[ . 1 . 2]" 1
618 2 3 GLN HA 2 6 PHE CG . . 7.200 7.008 4.741 7.909 0.709 3 6 "[ + . *1*- . * *]" 1
619 2 4 ASN H 2 4 ASN HB2 . . 3.500 2.884 2.318 3.996 0.496 5 0 "[ . 1 . 2]" 1
620 2 5 ASP H 2 5 ASP HB2 . . 3.500 3.232 2.359 3.626 0.126 3 0 "[ . 1 . 2]" 1
621 2 5 ASP H 2 5 ASP HB3 . . 3.500 2.819 2.404 3.527 0.027 17 0 "[ . 1 . 2]" 1
622 2 5 ASP H 2 6 PHE H . . 5.000 2.706 1.851 4.269 . 0 0 "[ . 1 . 2]" 1
623 2 5 ASP H 2 7 VAL HA . . 5.000 4.866 3.887 5.044 0.044 1 0 "[ . 1 . 2]" 1
624 2 5 ASP H 2 7 VAL HB . . 5.000 4.150 2.690 5.015 0.015 15 0 "[ . 1 . 2]" 1
625 2 5 ASP H 2 7 VAL MG1 . . 6.000 4.992 3.620 5.766 . 0 0 "[ . 1 . 2]" 1
626 2 5 ASP HA 2 6 PHE H . . 3.500 3.166 2.101 3.568 0.068 3 0 "[ . 1 . 2]" 1
627 2 5 ASP HB2 2 6 PHE H . . 5.000 3.821 2.163 4.545 . 0 0 "[ . 1 . 2]" 1
628 2 5 ASP HB3 2 6 PHE H . . 5.000 3.402 1.959 4.480 . 0 0 "[ . 1 . 2]" 1
629 2 6 PHE CG 2 13 THR MG . . 8.200 8.652 8.093 9.134 0.934 12 10 "[* ****-**1 + . *]" 1
630 2 6 PHE CZ 2 13 THR MG . . 8.200 6.620 6.329 6.845 . 0 0 "[ . 1 . 2]" 1
631 2 6 PHE H 2 6 PHE HB3 . . 3.500 3.529 2.729 4.135 0.635 15 3 "[ * . 1 + - 2]" 1
632 2 6 PHE H 2 7 VAL MG1 . . 6.000 5.087 3.999 6.554 0.554 11 1 "[ . 1+ . 2]" 1
633 2 6 PHE HB2 2 7 VAL H . . 5.000 4.117 2.414 4.557 . 0 0 "[ . 1 . 2]" 1
634 2 6 PHE HB3 2 7 VAL H . . 5.000 4.063 2.818 4.542 . 0 0 "[ . 1 . 2]" 1
635 2 6 PHE HZ 2 13 THR MG . . 6.000 5.893 5.667 6.009 0.009 8 0 "[ . 1 . 2]" 1
636 2 7 VAL H 2 7 VAL HB . . 2.600 2.453 2.206 2.688 0.088 2 0 "[ . 1 . 2]" 1
637 2 7 VAL H 2 7 VAL MG2 . . 3.600 3.453 2.109 3.848 0.248 15 0 "[ . 1 . 2]" 1
638 2 7 VAL HA 2 8 ASP H . . 2.600 2.288 2.085 2.624 0.024 8 0 "[ . 1 . 2]" 1
639 2 7 VAL HB 2 8 ASP H . . 5.000 4.202 3.792 4.530 . 0 0 "[ . 1 . 2]" 1
640 2 7 VAL MG1 2 8 ASP H . . 6.000 3.615 2.502 4.390 . 0 0 "[ . 1 . 2]" 1
641 2 8 ASP H 2 8 ASP HB2 . . 3.500 3.263 2.397 3.897 0.397 13 0 "[ . 1 . 2]" 1
642 2 8 ASP HB2 2 9 SER H . . 3.500 3.167 2.036 3.622 0.122 5 0 "[ . 1 . 2]" 1
643 2 8 ASP HB3 2 9 SER H . . 3.500 2.640 1.900 3.634 0.134 18 0 "[ . 1 . 2]" 1
644 2 9 SER H 2 55 VAL HB . . 6.000 4.031 2.523 5.831 . 0 0 "[ . 1 . 2]" 1
645 2 9 SER H 2 55 VAL MG1 . . 6.000 4.031 3.229 4.765 . 0 0 "[ . 1 . 2]" 1
646 2 9 SER H 2 55 VAL MG2 . . 6.000 3.598 2.068 5.424 . 0 0 "[ . 1 . 2]" 1
647 2 9 SER HA 2 10 TYR H . . 2.600 2.590 2.238 2.673 0.073 14 0 "[ . 1 . 2]" 1
648 2 9 SER HA 2 55 VAL MG2 . . 6.000 3.899 2.258 6.505 0.505 17 1 "[ . 1 . + 2]" 1
649 2 9 SER QB 2 10 TYR H . . 5.000 2.216 1.898 3.009 . 0 0 "[ . 1 . 2]" 1
650 2 9 SER QB 2 30 GLY HA2 . . 5.000 2.424 1.938 3.252 . 0 0 "[ . 1 . 2]" 1
651 2 9 SER QB 2 30 GLY HA3 . . 5.000 3.797 3.404 4.543 . 0 0 "[ . 1 . 2]" 1
652 2 9 SER QB 2 31 LEU H . . 6.000 2.850 2.298 3.451 . 0 0 "[ . 1 . 2]" 1
653 2 10 TYR CG 2 31 LEU H . . 7.200 5.516 5.217 6.046 . 0 0 "[ . 1 . 2]" 1
654 2 10 TYR CG 2 52 LEU HA . . 7.200 6.494 5.852 6.781 . 0 0 "[ . 1 . 2]" 1
655 2 10 TYR CG 2 52 LEU QB . . 6.000 6.176 5.921 6.351 0.351 4 0 "[ . 1 . 2]" 1
656 2 10 TYR CG 2 52 LEU QD . . 6.700 3.434 2.943 3.702 . 0 0 "[ . 1 . 2]" 1
657 2 10 TYR CG 2 52 LEU HG . . 4.500 4.348 3.924 4.839 0.339 8 0 "[ . 1 . 2]" 1
658 2 10 TYR CG 2 53 ASP H . . 5.700 5.234 4.700 5.700 0.000 8 0 "[ . 1 . 2]" 1
659 2 10 TYR CG 2 54 LYS HA . . 5.700 3.145 2.804 3.337 . 0 0 "[ . 1 . 2]" 1
660 2 10 TYR CG 2 55 VAL H . . 7.200 4.486 3.728 5.134 . 0 0 "[ . 1 . 2]" 1
661 2 10 TYR CZ 2 52 LEU HA . . 7.200 8.193 7.597 8.626 1.426 1 19 [+*-*.***************] 1
662 2 10 TYR CZ 2 52 LEU QD . . 8.200 4.000 3.631 4.426 . 0 0 "[ . 1 . 2]" 1
663 2 10 TYR CZ 2 53 ASP H . . 5.700 6.918 6.481 7.197 1.497 7 20 [**-***+*************] 1
664 2 10 TYR CZ 2 55 VAL H . . 7.200 5.543 4.714 6.324 . 0 0 "[ . 1 . 2]" 1
665 2 10 TYR H 2 10 TYR HB2 . . 3.500 2.456 2.351 2.560 . 0 0 "[ . 1 . 2]" 1
666 2 10 TYR H 2 30 GLY HA3 . . 6.000 6.079 5.799 6.286 0.286 16 0 "[ . 1 . 2]" 1
667 2 10 TYR H 2 31 LEU H . . 3.500 3.448 3.186 3.567 0.067 7 0 "[ . 1 . 2]" 1
668 2 10 TYR H 2 32 SER HA . . 5.000 3.427 3.126 3.694 . 0 0 "[ . 1 . 2]" 1
669 2 10 TYR H 2 32 SER HB2 . . 5.000 5.048 4.890 5.099 0.099 8 0 "[ . 1 . 2]" 1
670 2 10 TYR H 2 32 SER HB3 . . 5.000 4.645 4.417 4.809 . 0 0 "[ . 1 . 2]" 1
671 2 10 TYR H 2 33 LEU QD . . 6.000 5.421 4.363 6.282 0.282 9 0 "[ . 1 . 2]" 1
672 2 10 TYR H 2 52 LEU QD . . 6.000 5.424 4.864 5.725 . 0 0 "[ . 1 . 2]" 1
673 2 10 TYR H 2 55 VAL MG1 . . 6.000 5.210 3.822 6.084 0.084 3 0 "[ . 1 . 2]" 1
674 2 10 TYR H 2 55 VAL MG2 . . 6.000 4.214 3.471 5.981 . 0 0 "[ . 1 . 2]" 1
675 2 10 TYR HA 2 11 ASP H . . 2.600 2.192 2.058 2.386 . 0 0 "[ . 1 . 2]" 1
676 2 10 TYR HA 2 33 LEU QD . . 6.000 5.431 4.815 6.007 0.007 15 0 "[ . 1 . 2]" 1
677 2 10 TYR HA 2 52 LEU QD . . 6.000 4.429 3.578 4.788 . 0 0 "[ . 1 . 2]" 1
678 2 10 TYR HA 2 54 LYS HA . . 2.600 2.366 2.090 2.647 0.047 15 0 "[ . 1 . 2]" 1
679 2 10 TYR HA 2 54 LYS HB2 . . 5.000 4.541 4.339 4.708 . 0 0 "[ . 1 . 2]" 1
680 2 10 TYR HA 2 54 LYS HB3 . . 5.000 5.082 4.965 5.214 0.214 16 0 "[ . 1 . 2]" 1
681 2 10 TYR HA 2 55 VAL H . . 3.500 2.632 2.084 3.408 . 0 0 "[ . 1 . 2]" 1
682 2 10 TYR HA 2 55 VAL HB . . 5.000 4.460 3.175 5.169 0.169 16 0 "[ . 1 . 2]" 1
683 2 10 TYR HA 2 55 VAL MG1 . . 6.000 4.027 2.120 5.491 . 0 0 "[ . 1 . 2]" 1
684 2 10 TYR HA 2 55 VAL MG2 . . 4.500 2.978 2.380 3.962 . 0 0 "[ . 1 . 2]" 1
685 2 10 TYR HB2 2 11 ASP H . . 5.000 4.039 3.600 4.354 . 0 0 "[ . 1 . 2]" 1
686 2 10 TYR HB2 2 31 LEU H . . 6.000 3.627 3.291 4.163 . 0 0 "[ . 1 . 2]" 1
687 2 10 TYR HB2 2 52 LEU QD . . 6.000 3.792 3.015 4.212 . 0 0 "[ . 1 . 2]" 1
688 2 10 TYR HB2 2 54 LYS HA . . 5.000 4.685 4.431 4.970 . 0 0 "[ . 1 . 2]" 1
689 2 10 TYR HB3 2 52 LEU QD . . 4.500 2.923 2.029 3.398 . 0 0 "[ . 1 . 2]" 1
690 2 10 TYR HB3 2 54 LYS HA . . 5.000 3.952 3.470 4.256 . 0 0 "[ . 1 . 2]" 1
691 2 11 ASP H 2 11 ASP QB . . 3.500 2.296 2.220 2.407 . 0 0 "[ . 1 . 2]" 1
692 2 11 ASP H 2 29 LYS HA . . 6.000 4.691 4.479 5.000 . 0 0 "[ . 1 . 2]" 1
693 2 11 ASP H 2 52 LEU QD . . 6.000 4.204 2.689 4.827 . 0 0 "[ . 1 . 2]" 1
694 2 11 ASP H 2 52 LEU HG . . 5.000 4.408 3.466 5.073 0.073 5 0 "[ . 1 . 2]" 1
695 2 11 ASP H 2 53 ASP H . . 3.500 2.961 2.664 3.223 . 0 0 "[ . 1 . 2]" 1
696 2 11 ASP H 2 54 LYS HA . . 5.000 3.695 3.520 3.935 . 0 0 "[ . 1 . 2]" 1
697 2 11 ASP H 2 55 VAL MG1 . . 6.000 4.153 2.224 5.748 . 0 0 "[ . 1 . 2]" 1
698 2 11 ASP H 2 55 VAL MG2 . . 4.500 3.326 2.376 4.679 0.179 20 0 "[ . 1 . 2]" 1
699 2 11 ASP HA 2 12 VAL H . . 2.600 2.158 2.081 2.261 . 0 0 "[ . 1 . 2]" 1
700 2 11 ASP HA 2 27 TYR CG . . 7.200 7.695 6.672 8.580 1.380 14 11 "[ *- *** *1* +* * *]" 1
701 2 11 ASP HA 2 28 HIS H . . 5.000 4.900 4.370 5.046 0.046 14 0 "[ . 1 . 2]" 1
702 2 11 ASP HA 2 29 LYS HA . . 2.600 2.038 1.981 2.103 . 0 0 "[ . 1 . 2]" 1
703 2 11 ASP HA 2 29 LYS HB2 . . 5.000 3.881 2.539 5.092 0.092 9 0 "[ . 1 . 2]" 1
704 2 11 ASP HA 2 29 LYS HB3 . . 5.000 3.721 2.371 5.024 0.024 14 0 "[ . 1 . 2]" 1
705 2 11 ASP HA 2 29 LYS QD . . 5.000 4.897 3.464 5.667 0.667 18 2 "[ . -1 . + 2]" 1
706 2 11 ASP HA 2 29 LYS HG2 . . 5.000 4.181 2.541 4.945 . 0 0 "[ . 1 . 2]" 1
707 2 11 ASP HA 2 29 LYS HG3 . . 5.000 4.158 2.262 5.002 0.002 16 0 "[ . 1 . 2]" 1
708 2 11 ASP HA 2 30 GLY H . . 3.500 3.302 2.649 3.486 . 0 0 "[ . 1 . 2]" 1
709 2 11 ASP HA 2 31 LEU H . . 5.000 4.328 3.673 4.856 . 0 0 "[ . 1 . 2]" 1
710 2 11 ASP HA 2 31 LEU MD1 . . 6.000 4.099 2.868 5.082 . 0 0 "[ . 1 . 2]" 1
711 2 11 ASP HA 2 31 LEU MD2 . . 6.000 5.298 4.512 5.945 . 0 0 "[ . 1 . 2]" 1
712 2 11 ASP HA 2 52 LEU QD . . 6.000 5.367 4.105 5.853 . 0 0 "[ . 1 . 2]" 1
713 2 11 ASP HA 2 55 VAL MG2 . . 6.000 4.557 3.428 5.864 . 0 0 "[ . 1 . 2]" 1
714 2 11 ASP QB 2 12 VAL H . . 3.500 3.786 3.435 4.077 0.577 8 3 "[ . -+ 1 . *2]" 1
715 2 11 ASP QB 2 29 LYS HA . . 5.000 3.412 2.785 3.993 . 0 0 "[ . 1 . 2]" 1
716 2 11 ASP N 2 53 ASP O . . 3.500 2.861 2.750 3.135 . 0 0 "[ . 1 . 2]" 1
717 2 11 ASP O 2 53 ASP N . . 3.500 2.926 2.808 3.276 . 0 0 "[ . 1 . 2]" 1
718 2 12 VAL H 2 12 VAL HB . . 3.500 2.674 2.524 2.979 . 0 0 "[ . 1 . 2]" 1
719 2 12 VAL H 2 12 VAL MG2 . . 4.500 2.830 2.351 3.182 . 0 0 "[ . 1 . 2]" 1
720 2 12 VAL H 2 29 LYS HA . . 5.000 2.985 2.552 3.393 . 0 0 "[ . 1 . 2]" 1
721 2 12 VAL H 2 52 LEU QD . . 7.000 4.938 3.419 5.469 . 0 0 "[ . 1 . 2]" 1
722 2 12 VAL HA 2 13 THR H . . 2.600 2.129 2.087 2.223 . 0 0 "[ . 1 . 2]" 1
723 2 12 VAL HA 2 39 LEU QD . . 6.000 4.928 4.699 6.278 0.278 9 0 "[ . 1 . 2]" 1
724 2 12 VAL HA 2 52 LEU HA . . 2.600 2.427 2.181 2.619 0.019 5 0 "[ . 1 . 2]" 1
725 2 12 VAL HA 2 52 LEU QD . . 6.000 3.710 2.388 4.171 . 0 0 "[ . 1 . 2]" 1
726 2 12 VAL HA 2 53 ASP H . . 5.000 3.847 3.613 4.152 . 0 0 "[ . 1 . 2]" 1
727 2 12 VAL HB 2 28 HIS H . . 5.000 3.540 3.008 3.895 . 0 0 "[ . 1 . 2]" 1
728 2 12 VAL HB 2 28 HIS HA . . 5.000 4.895 4.674 5.031 0.031 10 0 "[ . 1 . 2]" 1
729 2 12 VAL HB 2 28 HIS HB2 . . 5.000 2.274 2.098 2.417 . 0 0 "[ . 1 . 2]" 1
730 2 12 VAL HB 2 28 HIS HB3 . . 5.000 3.596 3.403 3.814 . 0 0 "[ . 1 . 2]" 1
731 2 12 VAL HB 2 28 HIS HD2 . . 5.000 4.061 3.574 4.436 . 0 0 "[ . 1 . 2]" 1
732 2 12 VAL HB 2 36 PHE CG . . 7.200 5.902 5.653 6.126 . 0 0 "[ . 1 . 2]" 1
733 2 12 VAL HB 2 39 LEU QD . . 6.000 3.161 2.758 4.838 . 0 0 "[ . 1 . 2]" 1
734 2 12 VAL MG1 2 14 MET ME . . 7.000 3.153 2.006 4.284 . 0 0 "[ . 1 . 2]" 1
735 2 12 VAL MG1 2 14 MET QG . . 4.500 3.992 2.004 4.393 . 0 0 "[ . 1 . 2]" 1
736 2 12 VAL MG1 2 27 TYR CG . . 8.200 7.088 6.271 7.786 . 0 0 "[ . 1 . 2]" 1
737 2 12 VAL MG1 2 28 HIS H . . 6.000 3.975 3.326 4.540 . 0 0 "[ . 1 . 2]" 1
738 2 12 VAL MG1 2 28 HIS HB2 . . 6.000 3.313 2.828 3.603 . 0 0 "[ . 1 . 2]" 1
739 2 12 VAL MG1 2 28 HIS HD2 . . 6.000 3.498 2.437 3.934 . 0 0 "[ . 1 . 2]" 1
740 2 12 VAL MG1 2 36 PHE CG . . 5.800 3.957 3.696 4.243 . 0 0 "[ . 1 . 2]" 1
741 2 12 VAL MG1 2 36 PHE CZ . . 6.700 4.565 4.275 5.124 . 0 0 "[ . 1 . 2]" 1
742 2 12 VAL MG1 2 36 PHE HB3 . . 6.000 5.084 4.751 5.410 . 0 0 "[ . 1 . 2]" 1
743 2 12 VAL MG1 2 36 PHE HZ . . 6.000 5.073 4.703 5.685 . 0 0 "[ . 1 . 2]" 1
744 2 12 VAL MG1 2 39 LEU QD . . 7.000 2.093 1.893 3.289 . 0 0 "[ . 1 . 2]" 1
745 2 12 VAL MG1 2 51 ARG H . . 6.000 3.875 3.526 4.333 . 0 0 "[ . 1 . 2]" 1
746 2 12 VAL MG2 2 28 HIS HB2 . . 6.000 3.763 3.220 3.966 . 0 0 "[ . 1 . 2]" 1
747 2 12 VAL MG2 2 28 HIS HD2 . . 6.000 5.253 4.760 5.669 . 0 0 "[ . 1 . 2]" 1
748 2 12 VAL MG2 2 31 LEU H . . 6.000 4.909 4.209 5.265 . 0 0 "[ . 1 . 2]" 1
749 2 12 VAL MG2 2 36 PHE CG . . 5.800 3.328 3.103 3.616 . 0 0 "[ . 1 . 2]" 1
750 2 12 VAL MG2 2 36 PHE CZ . . 6.700 4.828 4.396 5.192 . 0 0 "[ . 1 . 2]" 1
751 2 12 VAL MG2 2 36 PHE HB3 . . 6.000 3.723 3.525 4.054 . 0 0 "[ . 1 . 2]" 1
752 2 12 VAL MG2 2 36 PHE HZ . . 6.000 5.570 5.117 5.953 . 0 0 "[ . 1 . 2]" 1
753 2 12 VAL MG2 2 39 LEU QD . . 7.000 3.341 2.769 4.703 . 0 0 "[ . 1 . 2]" 1
754 2 12 VAL N 2 28 HIS O . . 3.500 2.850 2.768 2.970 . 0 0 "[ . 1 . 2]" 1
755 2 12 VAL O 2 28 HIS N . . 3.500 2.772 2.677 2.936 . 0 0 "[ . 1 . 2]" 1
756 2 13 THR H 2 27 TYR CG . . 7.200 7.062 6.141 7.689 0.489 18 0 "[ . 1 . 2]" 1
757 2 13 THR H 2 51 ARG H . . 3.500 3.154 2.851 3.493 . 0 0 "[ . 1 . 2]" 1
758 2 13 THR H 2 52 LEU QD . . 7.000 5.088 4.102 5.578 . 0 0 "[ . 1 . 2]" 1
759 2 13 THR HA 2 14 MET H . . 2.600 2.212 2.137 2.303 . 0 0 "[ . 1 . 2]" 1
760 2 13 THR HA 2 25 TYR CG . . 7.200 6.509 5.997 7.173 . 0 0 "[ . 1 . 2]" 1
761 2 13 THR HA 2 27 TYR CG . . 5.700 4.552 4.054 5.231 . 0 0 "[ . 1 . 2]" 1
762 2 13 THR HA 2 27 TYR HA . . 2.600 2.223 2.066 2.389 . 0 0 "[ . 1 . 2]" 1
763 2 13 THR HA 2 28 HIS H . . 5.000 3.223 2.983 3.405 . 0 0 "[ . 1 . 2]" 1
764 2 13 THR HA 2 28 HIS HD2 . . 5.000 4.673 3.711 5.011 0.011 8 0 "[ . 1 . 2]" 1
765 2 13 THR HB 2 25 TYR CG . . 7.200 7.632 7.092 8.614 1.414 2 6 "[ +*-. * *. *2]" 1
766 2 13 THR HB 2 27 TYR CG . . 7.200 6.431 5.963 7.504 0.304 18 0 "[ . 1 . 2]" 1
767 2 13 THR HB 2 27 TYR HA . . 5.000 4.980 4.882 5.059 0.059 11 0 "[ . 1 . 2]" 1
768 2 13 THR HB 2 51 ARG H . . 5.000 3.473 2.657 3.941 . 0 0 "[ . 1 . 2]" 1
769 2 13 THR HB 2 51 ARG HA . . 5.000 4.892 4.399 5.022 0.022 13 0 "[ . 1 . 2]" 1
770 2 13 THR HB 2 51 ARG HB2 . . 3.500 3.132 2.031 3.528 0.028 6 0 "[ . 1 . 2]" 1
771 2 13 THR HB 2 51 ARG HB3 . . 3.500 2.200 2.001 3.507 0.007 20 0 "[ . 1 . 2]" 1
772 2 13 THR HB 2 51 ARG QD . . 5.000 4.050 2.513 5.012 0.012 13 0 "[ . 1 . 2]" 1
773 2 13 THR HB 2 51 ARG HG2 . . 5.000 4.679 3.981 5.074 0.074 14 0 "[ . 1 . 2]" 1
774 2 13 THR HB 2 51 ARG HG3 . . 5.000 4.576 3.209 5.047 0.047 6 0 "[ . 1 . 2]" 1
775 2 13 THR MG 2 25 TYR CG . . 5.800 4.419 3.998 5.211 . 0 0 "[ . 1 . 2]" 1
776 2 13 THR MG 2 25 TYR CZ . . 6.700 4.049 2.683 5.874 . 0 0 "[ . 1 . 2]" 1
777 2 13 THR MG 2 25 TYR QB . . 6.000 4.488 3.748 5.194 . 0 0 "[ . 1 . 2]" 1
778 2 13 THR MG 2 26 GLU H . . 6.000 4.276 3.799 4.779 . 0 0 "[ . 1 . 2]" 1
779 2 13 THR MG 2 27 TYR CG . . 6.700 3.953 3.172 4.610 . 0 0 "[ . 1 . 2]" 1
780 2 13 THR MG 2 27 TYR CZ . . 6.700 4.843 2.995 6.913 0.213 18 0 "[ . 1 . 2]" 1
781 2 13 THR MG 2 27 TYR HA . . 6.000 3.338 2.907 3.718 . 0 0 "[ . 1 . 2]" 1
782 2 13 THR MG 2 28 HIS H . . 6.000 4.777 4.437 5.121 . 0 0 "[ . 1 . 2]" 1
783 2 13 THR MG 2 51 ARG H . . 6.000 4.122 3.684 4.530 . 0 0 "[ . 1 . 2]" 1
784 2 13 THR MG 2 51 ARG QD . . 7.000 4.621 3.015 5.838 . 0 0 "[ . 1 . 2]" 1
785 2 13 THR N 2 51 ARG O . . 3.500 2.854 2.733 3.490 . 0 0 "[ . 1 . 2]" 1
786 2 13 THR O 2 51 ARG N . . 3.500 2.776 2.699 2.878 . 0 0 "[ . 1 . 2]" 1
787 2 14 MET H 2 14 MET HB2 . . 3.500 2.923 2.280 3.255 . 0 0 "[ . 1 . 2]" 1
788 2 14 MET H 2 14 MET QG . . 5.000 3.990 3.092 4.215 . 0 0 "[ . 1 . 2]" 1
789 2 14 MET H 2 25 TYR CG . . 7.200 5.966 5.155 6.475 . 0 0 "[ . 1 . 2]" 1
790 2 14 MET H 2 25 TYR CZ . . 7.200 6.900 5.099 8.233 1.033 7 8 "[ * -. + ** ** *2]" 1
791 2 14 MET H 2 26 GLU H . . 3.500 3.223 2.973 3.534 0.034 18 0 "[ . 1 . 2]" 1
792 2 14 MET H 2 27 TYR HA . . 5.000 3.370 2.954 3.627 . 0 0 "[ . 1 . 2]" 1
793 2 14 MET HA 2 15 LEU H . . 2.600 2.271 2.113 2.379 . 0 0 "[ . 1 . 2]" 1
794 2 14 MET HA 2 25 TYR CG . . 7.200 7.031 6.455 7.604 0.404 10 0 "[ . 1 . 2]" 1
795 2 14 MET HB2 2 15 LEU H . . 5.000 4.033 3.825 4.314 . 0 0 "[ . 1 . 2]" 1
796 2 14 MET HB2 2 51 ARG H . . 5.000 4.315 3.647 5.551 0.551 20 1 "[ . 1 . +]" 1
797 2 14 MET ME 2 16 LEU MD1 . . 7.000 3.741 2.326 5.931 . 0 0 "[ . 1 . 2]" 1
798 2 14 MET ME 2 16 LEU MD2 . . 5.500 3.188 2.102 4.449 . 0 0 "[ . 1 . 2]" 1
799 2 14 MET ME 2 28 HIS HD2 . . 4.500 4.416 4.144 4.548 0.048 5 0 "[ . 1 . 2]" 1
800 2 14 MET ME 2 36 PHE CG . . 8.200 5.548 3.907 6.647 . 0 0 "[ . 1 . 2]" 1
801 2 14 MET ME 2 36 PHE CZ . . 8.200 5.102 3.810 6.025 . 0 0 "[ . 1 . 2]" 1
802 2 14 MET ME 2 36 PHE HZ . . 6.000 5.199 3.967 6.031 0.031 14 0 "[ . 1 . 2]" 1
803 2 14 MET ME 2 39 LEU QD . . 5.500 2.179 1.983 2.315 . 0 0 "[ . 1 . 2]" 1
804 2 14 MET ME 2 40 TYR CG . . 8.200 4.566 3.720 5.509 . 0 0 "[ . 1 . 2]" 1
805 2 14 MET ME 2 40 TYR CZ . . 8.200 6.273 5.475 7.065 . 0 0 "[ . 1 . 2]" 1
806 2 14 MET ME 2 40 TYR HA . . 6.000 2.710 2.130 3.454 . 0 0 "[ . 1 . 2]" 1
807 2 14 MET ME 2 43 THR MG . . 5.500 3.656 2.168 5.219 . 0 0 "[ . 1 . 2]" 1
808 2 14 MET ME 2 47 ILE MD . . 7.000 3.528 2.214 5.003 . 0 0 "[ . 1 . 2]" 1
809 2 14 MET ME 2 50 LEU QD . . 5.500 3.068 1.982 4.151 . 0 0 "[ . 1 . 2]" 1
810 2 14 MET ME 2 51 ARG H . . 7.000 5.619 3.776 6.615 . 0 0 "[ . 1 . 2]" 1
811 2 14 MET QG 2 15 LEU H . . 5.000 2.344 1.950 4.088 . 0 0 "[ . 1 . 2]" 1
812 2 14 MET QG 2 28 HIS HD2 . . 5.000 5.447 2.637 5.949 0.949 7 13 "[ ***- + ******* *2]" 1
813 2 14 MET QG 2 36 PHE CZ . . 7.200 6.668 5.337 7.374 0.174 17 0 "[ . 1 . 2]" 1
814 2 14 MET QG 2 39 LEU QD . . 6.000 3.661 2.246 4.225 . 0 0 "[ . 1 . 2]" 1
815 2 14 MET QG 2 47 ILE MD . . 6.000 2.901 2.279 4.956 . 0 0 "[ . 1 . 2]" 1
816 2 14 MET QG 2 50 LEU QD . . 4.500 3.096 1.974 3.886 . 0 0 "[ . 1 . 2]" 1
817 2 14 MET N 2 26 GLU O . . 3.500 2.889 2.734 3.009 . 0 0 "[ . 1 . 2]" 1
818 2 14 MET O 2 26 GLU N . . 3.500 2.777 2.706 2.937 . 0 0 "[ . 1 . 2]" 1
819 2 15 LEU H 2 15 LEU QD . . 4.500 3.747 2.354 3.982 . 0 0 "[ . 1 . 2]" 1
820 2 15 LEU H 2 49 LYS H . . 3.500 3.098 2.889 3.289 . 0 0 "[ . 1 . 2]" 1
821 2 15 LEU H 2 50 LEU HA . . 5.000 3.494 3.185 3.744 . 0 0 "[ . 1 . 2]" 1
822 2 15 LEU HA 2 15 LEU QD . . 3.600 2.736 2.124 3.440 . 0 0 "[ . 1 . 2]" 1
823 2 15 LEU HA 2 16 LEU H . . 2.600 2.112 2.055 2.231 . 0 0 "[ . 1 . 2]" 1
824 2 15 LEU HA 2 25 TYR CG . . 7.200 4.841 4.323 5.216 . 0 0 "[ . 1 . 2]" 1
825 2 15 LEU HA 2 25 TYR CZ . . 7.200 6.506 5.305 7.942 0.742 3 1 "[ + . 1 . 2]" 1
826 2 15 LEU HA 2 25 TYR HA . . 2.600 2.457 2.097 2.625 0.025 2 0 "[ . 1 . 2]" 1
827 2 15 LEU QD 2 16 LEU H . . 4.500 2.698 2.292 3.650 . 0 0 "[ . 1 . 2]" 1
828 2 15 LEU QD 2 23 GLN HA . . 6.000 3.643 3.193 5.174 . 0 0 "[ . 1 . 2]" 1
829 2 15 LEU QD 2 23 GLN HB2 . . 6.000 3.488 2.832 4.509 . 0 0 "[ . 1 . 2]" 1
830 2 15 LEU QD 2 23 GLN HB3 . . 6.000 2.263 2.029 3.600 . 0 0 "[ . 1 . 2]" 1
831 2 15 LEU QD 2 24 TYR CG . . 8.200 5.171 4.530 6.581 . 0 0 "[ . 1 . 2]" 1
832 2 15 LEU QD 2 24 TYR HA . . 6.000 4.060 3.363 5.471 . 0 0 "[ . 1 . 2]" 1
833 2 15 LEU QD 2 25 TYR CG . . 6.700 3.601 2.714 4.187 . 0 0 "[ . 1 . 2]" 1
834 2 15 LEU QD 2 25 TYR CZ . . 6.700 3.765 2.558 5.818 . 0 0 "[ . 1 . 2]" 1
835 2 15 LEU QD 2 25 TYR HA . . 6.000 3.259 2.092 3.908 . 0 0 "[ . 1 . 2]" 1
836 2 15 LEU QD 2 26 GLU H . . 6.000 4.446 3.002 4.975 . 0 0 "[ . 1 . 2]" 1
837 2 15 LEU QD 2 39 LEU QD . . 8.000 6.455 6.041 6.623 . 0 0 "[ . 1 . 2]" 1
838 2 15 LEU QD 2 48 ILE H . . 6.000 4.178 3.454 5.075 . 0 0 "[ . 1 . 2]" 1
839 2 15 LEU QD 2 49 LYS H . . 6.000 3.350 2.267 3.774 . 0 0 "[ . 1 . 2]" 1
840 2 15 LEU QD 2 49 LYS HE2 . . 6.000 3.504 2.073 4.568 . 0 0 "[ . 1 . 2]" 1
841 2 15 LEU QD 2 49 LYS HE3 . . 6.000 3.788 2.725 4.753 . 0 0 "[ . 1 . 2]" 1
842 2 15 LEU QD 2 49 LYS HG3 . . 4.500 3.150 2.158 4.215 . 0 0 "[ . 1 . 2]" 1
843 2 16 LEU H 2 16 LEU MD1 . . 4.500 3.780 2.742 4.445 . 0 0 "[ . 1 . 2]" 1
844 2 16 LEU HA 2 16 LEU MD1 . . 4.500 2.483 2.099 3.927 . 0 0 "[ . 1 . 2]" 1
845 2 16 LEU HA 2 16 LEU MD2 . . 3.600 3.048 2.096 3.569 . 0 0 "[ . 1 . 2]" 1
846 2 16 LEU HA 2 17 GLN H . . 2.600 2.445 2.334 2.620 0.020 2 0 "[ . 1 . 2]" 1
847 2 16 LEU HA 2 47 ILE HA . . 5.000 2.874 2.196 4.095 . 0 0 "[ . 1 . 2]" 1
848 2 16 LEU MD1 2 24 TYR CG . . 6.700 5.953 4.626 6.466 . 0 0 "[ . 1 . 2]" 1
849 2 16 LEU MD1 2 43 THR H . . 6.000 5.668 4.882 6.846 0.846 19 2 "[ . 1 . +-]" 1
850 2 16 LEU MD1 2 45 ASP HA . . 6.000 4.730 4.027 6.071 0.071 2 0 "[ . 1 . 2]" 1
851 2 16 LEU MD1 2 45 ASP QB . . 6.000 3.254 2.021 4.653 . 0 0 "[ . 1 . 2]" 1
852 2 16 LEU MD1 2 48 ILE H . . 6.000 3.608 3.030 5.406 . 0 0 "[ . 1 . 2]" 1
853 2 16 LEU MD1 2 49 LYS H . . 6.000 4.730 3.900 6.066 0.066 1 0 "[ . 1 . 2]" 1
854 2 16 LEU MD2 2 17 GLN H . . 6.000 4.327 3.239 4.826 . 0 0 "[ . 1 . 2]" 1
855 2 16 LEU MD2 2 24 TYR CG . . 8.200 4.891 3.876 6.638 . 0 0 "[ . 1 . 2]" 1
856 2 16 LEU MD2 2 43 THR HA . . 6.000 4.670 2.190 5.392 . 0 0 "[ . 1 . 2]" 1
857 2 16 LEU MD2 2 43 THR HB . . 6.000 3.735 2.477 5.908 . 0 0 "[ . 1 . 2]" 1
858 2 16 LEU MD2 2 45 ASP HA . . 6.000 5.908 4.876 6.139 0.139 10 0 "[ . 1 . 2]" 1
859 2 16 LEU MD2 2 45 ASP QB . . 6.000 3.947 3.199 4.973 . 0 0 "[ . 1 . 2]" 1
860 2 16 LEU MD2 2 47 ILE HA . . 4.500 3.664 1.930 5.091 0.591 2 1 "[ + . 1 . 2]" 1
861 2 16 LEU MD2 2 48 ILE H . . 4.500 4.275 2.681 5.392 0.892 2 2 "[ +- . 1 . 2]" 1
862 2 16 LEU MD2 2 49 LYS H . . 6.000 4.919 3.699 6.051 0.051 2 0 "[ . 1 . 2]" 1
863 2 16 LEU N 2 24 TYR O . . 3.500 2.975 2.849 3.267 . 0 0 "[ . 1 . 2]" 1
864 2 16 LEU O 2 24 TYR N . . 3.500 2.868 2.751 3.008 . 0 0 "[ . 1 . 2]" 1
865 2 17 GLN H 2 48 ILE MD . . 6.000 3.889 3.050 4.651 . 0 0 "[ . 1 . 2]" 1
866 2 17 GLN HA 2 18 ASP H . . 2.600 2.132 2.067 2.234 . 0 0 "[ . 1 . 2]" 1
867 2 17 GLN HA 2 21 GLY HA2 . . 6.000 5.108 4.318 5.640 . 0 0 "[ . 1 . 2]" 1
868 2 17 GLN HA 2 22 LYS H . . 6.000 4.943 4.358 5.242 . 0 0 "[ . 1 . 2]" 1
869 2 17 GLN HA 2 23 GLN H . . 5.000 4.260 2.995 4.883 . 0 0 "[ . 1 . 2]" 1
870 2 17 GLN HA 2 23 GLN HA . . 2.600 2.157 2.031 2.434 . 0 0 "[ . 1 . 2]" 1
871 2 17 GLN HA 2 24 TYR CG . . 7.200 5.182 4.923 5.616 . 0 0 "[ . 1 . 2]" 1
872 2 17 GLN HA 2 24 TYR CZ . . 7.200 5.899 5.274 8.080 0.880 2 1 "[ + . 1 . 2]" 1
873 2 17 GLN HA 2 24 TYR H . . 3.500 3.319 3.076 3.522 0.022 16 0 "[ . 1 . 2]" 1
874 2 17 GLN HB3 2 18 ASP H . . 5.000 4.157 3.900 4.312 . 0 0 "[ . 1 . 2]" 1
875 2 17 GLN HB3 2 21 GLY H . . 6.000 6.023 5.702 6.422 0.422 2 0 "[ . 1 . 2]" 1
876 2 17 GLN HE21 2 21 GLY HA2 . . 5.000 3.460 2.753 4.625 . 0 0 "[ . 1 . 2]" 1
877 2 17 GLN HE21 2 21 GLY HA3 . . 5.000 4.833 4.180 5.848 0.848 14 3 "[ . - 1 +. * 2]" 1
878 2 17 GLN HE22 2 21 GLY HA2 . . 5.000 4.085 3.737 4.555 . 0 0 "[ . 1 . 2]" 1
879 2 17 GLN HE22 2 21 GLY HA3 . . 5.000 5.087 4.512 5.509 0.509 6 1 "[ .+ 1 . 2]" 1
880 2 17 GLN HE22 2 48 ILE MD . . 6.000 3.998 3.132 5.998 . 0 0 "[ . 1 . 2]" 1
881 2 17 GLN HG2 2 18 ASP H . . 5.000 3.064 2.689 3.425 . 0 0 "[ . 1 . 2]" 1
882 2 17 GLN HG2 2 21 GLY H . . 5.000 3.711 3.432 3.994 . 0 0 "[ . 1 . 2]" 1
883 2 17 GLN HG2 2 21 GLY HA2 . . 5.000 2.654 2.342 3.146 . 0 0 "[ . 1 . 2]" 1
884 2 17 GLN HG2 2 21 GLY HA3 . . 5.000 4.328 4.038 4.821 . 0 0 "[ . 1 . 2]" 1
885 2 17 GLN HG2 2 22 LYS H . . 6.000 4.235 3.361 4.961 . 0 0 "[ . 1 . 2]" 1
886 2 17 GLN HG2 2 48 ILE MD . . 6.000 4.657 4.258 6.322 0.322 2 0 "[ . 1 . 2]" 1
887 2 17 GLN HG3 2 21 GLY H . . 6.000 4.478 3.886 4.932 . 0 0 "[ . 1 . 2]" 1
888 2 17 GLN HG3 2 22 LYS H . . 5.000 4.011 3.383 4.332 . 0 0 "[ . 1 . 2]" 1
889 2 18 ASP H 2 18 ASP QB . . 3.500 2.330 2.145 2.928 . 0 0 "[ . 1 . 2]" 1
890 2 18 ASP H 2 21 GLY H . . 6.000 4.070 3.451 4.572 . 0 0 "[ . 1 . 2]" 1
891 2 18 ASP H 2 22 LYS H . . 3.500 3.461 3.187 3.547 0.047 3 0 "[ . 1 . 2]" 1
892 2 18 ASP H 2 23 GLN HA . . 3.500 3.317 2.947 3.506 0.006 2 0 "[ . 1 . 2]" 1
893 2 18 ASP H 2 24 TYR CG . . 7.200 5.139 4.354 5.893 . 0 0 "[ . 1 . 2]" 1
894 2 18 ASP H 2 24 TYR CZ . . 7.200 5.717 5.002 6.932 . 0 0 "[ . 1 . 2]" 1
895 2 18 ASP HA 2 19 ASP H . . 2.600 2.419 2.257 2.534 . 0 0 "[ . 1 . 2]" 1
896 2 18 ASP HA 2 24 TYR CG . . 7.200 5.925 4.452 6.924 . 0 0 "[ . 1 . 2]" 1
897 2 18 ASP QB 2 19 ASP H . . 2.600 3.091 2.199 3.506 0.906 6 14 "[ ***+* *** -* ****]" 1
898 2 18 ASP QB 2 20 ASP H . . 5.000 3.357 2.746 5.620 0.620 14 2 "[ . 1 -+. 2]" 1
899 2 18 ASP QB 2 24 TYR CG . . 7.200 4.212 2.733 4.697 . 0 0 "[ . 1 . 2]" 1
900 2 18 ASP QB 2 24 TYR CZ . . 5.700 4.474 3.689 5.374 . 0 0 "[ . 1 . 2]" 1
901 2 19 ASP H 2 19 ASP HB3 . . 3.500 2.801 2.352 3.620 0.120 15 0 "[ . 1 . 2]" 1
902 2 19 ASP H 2 20 ASP H . . 3.500 2.874 2.494 3.557 0.057 2 0 "[ . 1 . 2]" 1
903 2 19 ASP H 2 21 GLY H . . 6.000 4.103 3.929 4.469 . 0 0 "[ . 1 . 2]" 1
904 2 19 ASP HA 2 20 ASP H . . 5.000 3.411 2.222 3.598 . 0 0 "[ . 1 . 2]" 1
905 2 19 ASP HA 2 21 GLY H . . 5.000 3.665 3.120 4.619 . 0 0 "[ . 1 . 2]" 1
906 2 20 ASP H 2 20 ASP HB2 . . 3.500 2.720 2.343 3.707 0.207 15 0 "[ . 1 . 2]" 1
907 2 20 ASP H 2 21 GLY HA2 . . 5.000 4.861 4.340 5.028 0.028 18 0 "[ . 1 . 2]" 1
908 2 20 ASP H 2 21 GLY HA3 . . 5.000 5.244 4.795 5.419 0.419 18 0 "[ . 1 . 2]" 1
909 2 20 ASP H 2 22 LYS H . . 5.000 3.732 2.747 4.350 . 0 0 "[ . 1 . 2]" 1
910 2 20 ASP HA 2 21 GLY H . . 3.500 3.331 3.094 3.410 . 0 0 "[ . 1 . 2]" 1
911 2 20 ASP HA 2 22 LYS H . . 5.000 4.710 4.496 4.965 . 0 0 "[ . 1 . 2]" 1
912 2 20 ASP HB2 2 21 GLY H . . 5.000 4.163 3.504 4.458 . 0 0 "[ . 1 . 2]" 1
913 2 20 ASP HB2 2 22 LYS H . . 5.000 4.358 3.021 5.044 0.044 14 0 "[ . 1 . 2]" 1
914 2 20 ASP HB3 2 22 LYS H . . 5.000 3.628 2.693 4.844 . 0 0 "[ . 1 . 2]" 1
915 2 21 GLY H 2 22 LYS H . . 3.500 2.494 1.892 2.735 . 0 0 "[ . 1 . 2]" 1
916 2 21 GLY HA3 2 22 LYS H . . 3.500 3.422 3.348 3.532 0.032 1 0 "[ . 1 . 2]" 1
917 2 22 LYS H 2 22 LYS HB2 . . 3.500 2.856 2.365 3.786 0.286 1 0 "[ . 1 . 2]" 1
918 2 22 LYS H 2 22 LYS QG . . 3.500 2.574 1.977 3.964 0.464 20 0 "[ . 1 . 2]" 1
919 2 22 LYS H 2 24 TYR QB . . 6.000 6.328 4.628 6.879 0.879 14 8 "[- * *1* *+. * *2]" 1
920 2 23 GLN H 2 23 GLN HB2 . . 3.500 2.638 2.190 3.824 0.324 12 0 "[ . 1 . 2]" 1
921 2 23 GLN H 2 23 GLN HG2 . . 5.000 3.648 2.280 4.187 . 0 0 "[ . 1 . 2]" 1
922 2 23 GLN H 2 23 GLN HG3 . . 5.000 2.973 2.541 4.141 . 0 0 "[ . 1 . 2]" 1
923 2 23 GLN HA 2 24 TYR H . . 2.600 2.175 2.083 2.281 . 0 0 "[ . 1 . 2]" 1
924 2 23 GLN QE 2 48 ILE HB . . 5.000 4.728 3.971 5.470 0.470 18 0 "[ . 1 . 2]" 1
925 2 23 GLN QE 2 48 ILE MD . . 6.000 3.256 2.638 4.111 . 0 0 "[ . 1 . 2]" 1
926 2 23 GLN QE 2 48 ILE HG12 . . 5.000 4.637 2.978 5.774 0.774 18 1 "[ . 1 . + 2]" 1
927 2 23 GLN QE 2 48 ILE HG13 . . 5.000 3.254 2.373 4.251 . 0 0 "[ . 1 . 2]" 1
928 2 23 GLN QE 2 48 ILE MG . . 6.000 2.785 2.416 3.438 . 0 0 "[ . 1 . 2]" 1
929 2 23 GLN HG2 2 48 ILE MD . . 6.000 4.114 3.512 6.301 0.301 2 0 "[ . 1 . 2]" 1
930 2 24 TYR CG 2 26 GLU QB . . 7.200 6.192 4.848 7.122 . 0 0 "[ . 1 . 2]" 1
931 2 24 TYR CG 2 26 GLU QG . . 7.200 5.033 4.182 7.455 0.255 16 0 "[ . 1 . 2]" 1
932 2 24 TYR HA 2 25 TYR H . . 2.600 2.170 1.973 2.431 . 0 0 "[ . 1 . 2]" 1
933 2 25 TYR CG 2 27 TYR CG . . 7.900 6.285 5.276 7.385 . 0 0 "[ . 1 . 2]" 1
934 2 25 TYR HA 2 26 GLU H . . 2.600 2.154 2.093 2.224 . 0 0 "[ . 1 . 2]" 1
935 2 25 TYR QB 2 26 GLU H . . 5.000 3.128 2.456 3.839 . 0 0 "[ . 1 . 2]" 1
936 2 25 TYR QB 2 27 TYR CG . . 7.200 5.614 3.688 7.782 0.582 1 1 "[+ . 1 . 2]" 1
937 2 26 GLU H 2 26 GLU QB . . 3.500 2.568 2.428 2.808 . 0 0 "[ . 1 . 2]" 1
938 2 26 GLU QB 2 27 TYR H . . 5.000 3.656 2.521 3.965 . 0 0 "[ . 1 . 2]" 1
939 2 26 GLU QB 2 28 HIS HD2 . . 5.000 2.815 2.258 4.222 . 0 0 "[ . 1 . 2]" 1
940 2 26 GLU QG 2 28 HIS HD2 . . 5.000 4.415 2.473 5.224 0.224 5 0 "[ . 1 . 2]" 1
941 2 27 TYR HA 2 28 HIS H . . 2.600 2.163 2.085 2.272 . 0 0 "[ . 1 . 2]" 1
942 2 27 TYR HA 2 28 HIS HD2 . . 5.000 4.050 3.238 4.563 . 0 0 "[ . 1 . 2]" 1
943 2 28 HIS HA 2 29 LYS H . . 2.600 2.214 2.128 2.264 . 0 0 "[ . 1 . 2]" 1
944 2 28 HIS HB2 2 29 LYS H . . 5.000 4.502 4.451 4.550 . 0 0 "[ . 1 . 2]" 1
945 2 28 HIS HB2 2 39 LEU QD . . 7.000 2.801 2.319 4.003 . 0 0 "[ . 1 . 2]" 1
946 2 28 HIS HB3 2 29 LYS H . . 5.000 4.013 3.748 4.130 . 0 0 "[ . 1 . 2]" 1
947 2 28 HIS HB3 2 39 LEU QD . . 7.000 3.455 2.763 4.435 . 0 0 "[ . 1 . 2]" 1
948 2 28 HIS HD2 2 36 PHE CG . . 7.200 8.533 8.198 8.791 1.591 12 20 [***********+******-*] 1
949 2 28 HIS HD2 2 39 LEU QD . . 6.000 2.244 1.972 3.261 . 0 0 "[ . 1 . 2]" 1
950 2 28 HIS HE1 2 39 LEU QD . . 6.000 3.612 3.002 3.950 . 0 0 "[ . 1 . 2]" 1
951 2 29 LYS H 2 29 LYS HG2 . . 5.000 3.811 2.092 4.544 . 0 0 "[ . 1 . 2]" 1
952 2 29 LYS H 2 29 LYS HG3 . . 5.000 3.010 2.087 4.821 . 0 0 "[ . 1 . 2]" 1
953 2 29 LYS H 2 31 LEU MD1 . . 6.000 5.423 4.773 6.038 0.038 10 0 "[ . 1 . 2]" 1
954 2 29 LYS HA 2 30 GLY H . . 2.600 2.318 2.163 2.410 . 0 0 "[ . 1 . 2]" 1
955 2 29 LYS HA 2 31 LEU H . . 5.000 3.769 3.235 4.399 . 0 0 "[ . 1 . 2]" 1
956 2 29 LYS HB2 2 30 GLY H . . 5.000 3.378 2.363 4.291 . 0 0 "[ . 1 . 2]" 1
957 2 29 LYS HB3 2 30 GLY H . . 5.000 3.341 2.435 4.113 . 0 0 "[ . 1 . 2]" 1
958 2 29 LYS HG2 2 30 GLY H . . 5.000 3.971 2.317 5.089 0.089 6 0 "[ . 1 . 2]" 1
959 2 30 GLY H 2 31 LEU H . . 3.500 2.575 2.165 3.012 . 0 0 "[ . 1 . 2]" 1
960 2 30 GLY HA2 2 31 LEU H . . 5.000 2.844 2.542 3.136 . 0 0 "[ . 1 . 2]" 1
961 2 30 GLY HA3 2 31 LEU H . . 3.500 3.562 3.518 3.613 0.113 14 0 "[ . 1 . 2]" 1
962 2 31 LEU H 2 31 LEU HB3 . . 3.500 3.438 3.340 3.663 0.163 17 0 "[ . 1 . 2]" 1
963 2 31 LEU H 2 31 LEU HG . . 3.500 2.712 2.510 3.174 . 0 0 "[ . 1 . 2]" 1
964 2 31 LEU H 2 32 SER H . . 5.000 4.383 4.319 4.515 . 0 0 "[ . 1 . 2]" 1
965 2 31 LEU H 2 35 ASP QB . . 6.000 5.274 5.211 5.340 . 0 0 "[ . 1 . 2]" 1
966 2 31 LEU HA 2 31 LEU MD1 . . 3.600 3.661 3.589 3.742 0.142 17 0 "[ . 1 . 2]" 1
967 2 31 LEU HB2 2 32 SER H . . 5.000 2.259 1.936 3.461 . 0 0 "[ . 1 . 2]" 1
968 2 31 LEU HB2 2 35 ASP QB . . 3.500 2.344 2.046 3.747 0.247 3 0 "[ . 1 . 2]" 1
969 2 31 LEU HB3 2 32 SER H . . 5.000 3.358 2.015 3.649 . 0 0 "[ . 1 . 2]" 1
970 2 31 LEU HB3 2 35 ASP QB . . 5.000 3.242 2.092 3.529 . 0 0 "[ . 1 . 2]" 1
971 2 31 LEU MD1 2 32 SER H . . 6.000 2.836 2.370 3.761 . 0 0 "[ . 1 . 2]" 1
972 2 31 LEU MD1 2 35 ASP QB . . 6.000 2.421 2.224 2.895 . 0 0 "[ . 1 . 2]" 1
973 2 31 LEU MD1 2 36 PHE CG . . 8.200 4.895 4.391 5.757 . 0 0 "[ . 1 . 2]" 1
974 2 31 LEU MD2 2 35 ASP QB . . 6.000 2.223 2.061 2.449 . 0 0 "[ . 1 . 2]" 1
975 2 31 LEU MD2 2 36 PHE CG . . 8.200 6.037 5.422 7.808 . 0 0 "[ . 1 . 2]" 1
976 2 31 LEU HG 2 35 ASP QB . . 5.000 4.248 4.203 4.316 . 0 0 "[ . 1 . 2]" 1
977 2 32 SER H 2 33 LEU H . . 5.000 4.433 4.389 4.504 . 0 0 "[ . 1 . 2]" 1
978 2 32 SER H 2 35 ASP H . . 5.000 3.255 3.074 3.354 . 0 0 "[ . 1 . 2]" 1
979 2 32 SER H 2 35 ASP QB . . 3.500 2.024 1.832 2.166 . 0 0 "[ . 1 . 2]" 1
980 2 32 SER HA 2 33 LEU H . . 3.500 2.588 2.515 2.679 . 0 0 "[ . 1 . 2]" 1
981 2 32 SER HA 2 34 SER H . . 5.000 4.683 4.516 4.899 . 0 0 "[ . 1 . 2]" 1
982 2 32 SER HA 2 35 ASP H . . 5.000 4.629 4.489 4.774 . 0 0 "[ . 1 . 2]" 1
983 2 32 SER HB2 2 33 LEU H . . 3.500 2.291 2.167 2.446 . 0 0 "[ . 1 . 2]" 1
984 2 32 SER HB2 2 34 SER H . . 5.000 3.781 3.382 4.240 . 0 0 "[ . 1 . 2]" 1
985 2 33 LEU H 2 34 SER H . . 3.500 2.854 2.720 3.024 . 0 0 "[ . 1 . 2]" 1
986 2 33 LEU HA 2 33 LEU QD . . 3.600 2.102 1.957 3.072 . 0 0 "[ . 1 . 2]" 1
987 2 33 LEU HA 2 52 LEU QD . . 6.000 3.180 2.417 3.516 . 0 0 "[ . 1 . 2]" 1
988 2 33 LEU QD 2 34 SER H . . 6.000 4.127 3.768 4.330 . 0 0 "[ . 1 . 2]" 1
989 2 33 LEU QD 2 36 PHE CG . . 6.700 4.109 3.585 5.419 . 0 0 "[ . 1 . 2]" 1
990 2 33 LEU QD 2 36 PHE HB3 . . 6.000 3.302 2.828 4.527 . 0 0 "[ . 1 . 2]" 1
991 2 33 LEU QD 2 52 LEU QD . . 5.500 1.959 1.781 2.316 . 0 0 "[ . 1 . 2]" 1
992 2 34 SER H 2 34 SER QB . . 2.600 2.484 2.242 2.653 0.053 3 0 "[ . 1 . 2]" 1
993 2 34 SER H 2 35 ASP H . . 3.500 2.606 2.430 2.695 . 0 0 "[ . 1 . 2]" 1
994 2 34 SER H 2 36 PHE H . . 5.000 4.100 3.949 4.238 . 0 0 "[ . 1 . 2]" 1
995 2 34 SER HA 2 35 ASP H . . 5.000 3.533 3.468 3.567 . 0 0 "[ . 1 . 2]" 1
996 2 34 SER HA 2 36 PHE CG . . 7.200 6.704 6.438 7.011 . 0 0 "[ . 1 . 2]" 1
997 2 34 SER HA 2 37 GLU H . . 3.500 3.336 3.180 3.508 0.008 15 0 "[ . 1 . 2]" 1
998 2 34 SER HA 2 37 GLU QB . . 3.500 2.473 2.272 2.651 . 0 0 "[ . 1 . 2]" 1
999 2 34 SER HA 2 37 GLU QG . . 3.500 3.631 2.868 4.234 0.734 19 2 "[ . 1 .- +2]" 1
1000 2 34 SER HA 2 38 VAL H . . 5.000 4.512 4.314 4.744 . 0 0 "[ . 1 . 2]" 1
1001 2 34 SER QB 2 35 ASP H . . 3.500 3.219 2.767 3.663 0.163 11 0 "[ . 1 . 2]" 1
1002 2 35 ASP H 2 35 ASP QB . . 3.500 2.418 2.253 2.495 . 0 0 "[ . 1 . 2]" 1
1003 2 35 ASP H 2 36 PHE H . . 3.500 2.369 2.231 2.520 . 0 0 "[ . 1 . 2]" 1
1004 2 35 ASP H 2 38 VAL HB . . 6.000 5.495 5.347 5.719 . 0 0 "[ . 1 . 2]" 1
1005 2 35 ASP H 2 38 VAL MG1 . . 7.000 6.556 6.456 6.713 . 0 0 "[ . 1 . 2]" 1
1006 2 35 ASP H 2 38 VAL MG2 . . 6.000 4.725 4.523 4.921 . 0 0 "[ . 1 . 2]" 1
1007 2 35 ASP HA 2 38 VAL H . . 3.500 3.142 3.032 3.262 . 0 0 "[ . 1 . 2]" 1
1008 2 35 ASP HA 2 38 VAL HB . . 3.500 2.775 2.614 3.027 . 0 0 "[ . 1 . 2]" 1
1009 2 35 ASP HA 2 38 VAL MG1 . . 4.500 4.158 4.046 4.334 . 0 0 "[ . 1 . 2]" 1
1010 2 35 ASP HA 2 38 VAL MG2 . . 4.500 2.697 2.413 2.976 . 0 0 "[ . 1 . 2]" 1
1011 2 35 ASP HA 2 39 LEU H . . 5.000 4.247 4.058 4.548 . 0 0 "[ . 1 . 2]" 1
1012 2 35 ASP QB 2 36 PHE H . . 5.000 2.641 2.531 2.765 . 0 0 "[ . 1 . 2]" 1
1013 2 36 PHE CG 2 37 GLU QB . . 7.200 5.383 4.998 5.591 . 0 0 "[ . 1 . 2]" 1
1014 2 36 PHE CG 2 37 GLU QG . . 5.700 4.566 3.963 6.867 1.167 13 1 "[ . 1 + . 2]" 1
1015 2 36 PHE CG 2 39 LEU HB2 . . 7.200 6.047 5.712 6.412 . 0 0 "[ . 1 . 2]" 1
1016 2 36 PHE CG 2 39 LEU HB3 . . 7.200 4.684 4.328 5.027 . 0 0 "[ . 1 . 2]" 1
1017 2 36 PHE CG 2 39 LEU QD . . 8.200 4.833 4.250 6.017 . 0 0 "[ . 1 . 2]" 1
1018 2 36 PHE CG 2 40 TYR CG . . 9.400 6.018 5.740 6.386 . 0 0 "[ . 1 . 2]" 1
1019 2 36 PHE CG 2 40 TYR HA . . 7.200 6.454 6.248 6.700 . 0 0 "[ . 1 . 2]" 1
1020 2 36 PHE CG 2 40 TYR QB . . 7.200 4.008 3.845 4.272 . 0 0 "[ . 1 . 2]" 1
1021 2 36 PHE CG 2 52 LEU QD . . 6.700 2.797 2.584 3.088 . 0 0 "[ . 1 . 2]" 1
1022 2 36 PHE CZ 2 39 LEU QD . . 8.200 5.545 4.973 6.342 . 0 0 "[ . 1 . 2]" 1
1023 2 36 PHE CZ 2 40 TYR HA . . 7.200 5.624 5.171 6.178 . 0 0 "[ . 1 . 2]" 1
1024 2 36 PHE CZ 2 40 TYR QB . . 7.200 3.225 2.925 3.607 . 0 0 "[ . 1 . 2]" 1
1025 2 36 PHE CZ 2 50 LEU QB . . 7.200 5.271 4.488 5.683 . 0 0 "[ . 1 . 2]" 1
1026 2 36 PHE H 2 36 PHE HB3 . . 3.500 2.293 2.185 2.405 . 0 0 "[ . 1 . 2]" 1
1027 2 36 PHE H 2 37 GLU H . . 3.500 2.783 2.740 2.848 . 0 0 "[ . 1 . 2]" 1
1028 2 36 PHE HA 2 39 LEU H . . 3.500 3.285 3.143 3.396 . 0 0 "[ . 1 . 2]" 1
1029 2 36 PHE HA 2 39 LEU HB2 . . 5.000 3.464 3.101 3.846 . 0 0 "[ . 1 . 2]" 1
1030 2 36 PHE HA 2 39 LEU HB3 . . 3.500 2.674 2.249 3.168 . 0 0 "[ . 1 . 2]" 1
1031 2 36 PHE HA 2 39 LEU QD . . 6.000 3.458 2.926 4.555 . 0 0 "[ . 1 . 2]" 1
1032 2 36 PHE HA 2 40 TYR H . . 5.000 3.807 3.643 3.978 . 0 0 "[ . 1 . 2]" 1
1033 2 36 PHE HB2 2 37 GLU H . . 5.000 4.036 3.939 4.125 . 0 0 "[ . 1 . 2]" 1
1034 2 36 PHE HB2 2 52 LEU QD . . 6.000 2.529 2.126 2.968 . 0 0 "[ . 1 . 2]" 1
1035 2 36 PHE HB3 2 37 GLU H . . 3.500 2.692 2.569 2.809 . 0 0 "[ . 1 . 2]" 1
1036 2 36 PHE HB3 2 52 LEU QD . . 6.000 3.114 2.768 3.449 . 0 0 "[ . 1 . 2]" 1
1037 2 36 PHE HZ 2 40 TYR QB . . 5.000 3.405 3.051 3.784 . 0 0 "[ . 1 . 2]" 1
1038 2 36 PHE HZ 2 50 LEU QB . . 5.000 4.856 4.137 5.353 0.353 17 0 "[ . 1 . 2]" 1
1039 2 37 GLU H 2 37 GLU QB . . 3.500 2.243 2.096 2.318 . 0 0 "[ . 1 . 2]" 1
1040 2 37 GLU H 2 37 GLU QG . . 3.500 2.640 2.271 3.976 0.476 13 0 "[ . 1 . 2]" 1
1041 2 37 GLU H 2 38 VAL H . . 3.500 2.839 2.759 2.889 . 0 0 "[ . 1 . 2]" 1
1042 2 37 GLU H 2 39 LEU H . . 5.000 4.452 4.325 4.581 . 0 0 "[ . 1 . 2]" 1
1043 2 37 GLU HA 2 38 VAL H . . 5.000 3.545 3.500 3.574 . 0 0 "[ . 1 . 2]" 1
1044 2 37 GLU HA 2 39 LEU H . . 5.000 4.652 4.492 4.781 . 0 0 "[ . 1 . 2]" 1
1045 2 37 GLU HA 2 40 TYR CG . . 5.700 4.564 3.984 4.985 . 0 0 "[ . 1 . 2]" 1
1046 2 37 GLU HA 2 40 TYR CZ . . 7.200 6.780 6.001 7.183 . 0 0 "[ . 1 . 2]" 1
1047 2 37 GLU HA 2 40 TYR H . . 5.000 3.640 3.236 3.938 . 0 0 "[ . 1 . 2]" 1
1048 2 37 GLU HA 2 41 GLY H . . 5.000 3.690 3.200 4.173 . 0 0 "[ . 1 . 2]" 1
1049 2 37 GLU QB 2 38 VAL H . . 3.500 2.841 2.615 3.010 . 0 0 "[ . 1 . 2]" 1
1050 2 37 GLU QB 2 40 TYR CG . . 7.200 6.318 5.686 6.851 . 0 0 "[ . 1 . 2]" 1
1051 2 37 GLU QB 2 40 TYR CZ . . 7.200 8.039 7.012 8.682 1.482 16 15 "[- **** ** ***+****]" 1
1052 2 37 GLU QG 2 40 TYR CG . . 7.200 5.577 4.777 6.837 . 0 0 "[ . 1 . 2]" 1
1053 2 38 VAL H 2 38 VAL HB . . 3.500 2.495 2.404 2.555 . 0 0 "[ . 1 . 2]" 1
1054 2 38 VAL H 2 38 VAL MG1 . . 3.600 3.821 3.790 3.851 0.251 1 0 "[ . 1 . 2]" 1
1055 2 38 VAL H 2 39 LEU H . . 3.500 2.697 2.612 2.816 . 0 0 "[ . 1 . 2]" 1
1056 2 38 VAL H 2 40 TYR H . . 5.000 4.269 3.883 4.430 . 0 0 "[ . 1 . 2]" 1
1057 2 38 VAL HA 2 38 VAL MG1 . . 3.600 2.452 2.345 2.614 . 0 0 "[ . 1 . 2]" 1
1058 2 38 VAL HA 2 39 LEU H . . 5.000 3.606 3.592 3.632 . 0 0 "[ . 1 . 2]" 1
1059 2 38 VAL HA 2 41 GLY H . . 5.000 3.592 3.253 3.817 . 0 0 "[ . 1 . 2]" 1
1060 2 38 VAL HA 2 42 ASN H . . 5.000 4.019 3.533 5.024 0.024 6 0 "[ . 1 . 2]" 1
1061 2 38 VAL HB 2 39 LEU H . . 3.500 2.585 2.482 2.658 . 0 0 "[ . 1 . 2]" 1
1062 2 38 VAL MG1 2 39 LEU H . . 6.000 3.293 3.179 3.488 . 0 0 "[ . 1 . 2]" 1
1063 2 38 VAL MG2 2 39 LEU H . . 3.500 3.946 3.910 4.009 0.509 20 1 "[ . 1 . +]" 1
1064 2 39 LEU H 2 39 LEU HB2 . . 2.600 2.448 2.212 2.555 . 0 0 "[ . 1 . 2]" 1
1065 2 39 LEU H 2 39 LEU HB3 . . 3.500 2.510 2.319 2.815 . 0 0 "[ . 1 . 2]" 1
1066 2 39 LEU H 2 39 LEU QD . . 4.500 3.689 3.560 3.736 . 0 0 "[ . 1 . 2]" 1
1067 2 39 LEU H 2 39 LEU HG . . 5.000 4.478 4.365 4.599 . 0 0 "[ . 1 . 2]" 1
1068 2 39 LEU H 2 40 TYR H . . 3.500 2.859 2.609 2.998 . 0 0 "[ . 1 . 2]" 1
1069 2 39 LEU HA 2 42 ASN H . . 5.000 3.699 3.339 3.987 . 0 0 "[ . 1 . 2]" 1
1070 2 39 LEU HA 2 42 ASN QB . . 3.500 3.184 2.352 3.541 0.041 15 0 "[ . 1 . 2]" 1
1071 2 39 LEU HB3 2 40 TYR H . . 3.500 2.456 2.353 2.670 . 0 0 "[ . 1 . 2]" 1
1072 2 39 LEU QD 2 40 TYR H . . 6.000 3.734 3.484 4.043 . 0 0 "[ . 1 . 2]" 1
1073 2 40 TYR CG 2 44 ALA MB . . 8.200 5.744 3.128 8.695 0.495 2 0 "[ . 1 . 2]" 1
1074 2 40 TYR CG 2 50 LEU QD . . 6.700 4.023 3.668 4.510 . 0 0 "[ . 1 . 2]" 1
1075 2 40 TYR CZ 2 44 ALA MB . . 8.200 6.054 3.033 8.978 0.778 2 4 "[*+- . 1 .* 2]" 1
1076 2 40 TYR CZ 2 47 ILE MD . . 8.200 5.228 4.261 6.169 . 0 0 "[ . 1 . 2]" 1
1077 2 40 TYR CZ 2 50 LEU QD . . 8.200 4.544 3.948 5.047 . 0 0 "[ . 1 . 2]" 1
1078 2 40 TYR H 2 40 TYR QB . . 3.500 2.178 2.094 2.225 . 0 0 "[ . 1 . 2]" 1
1079 2 40 TYR H 2 41 GLY H . . 3.500 2.801 2.690 2.923 . 0 0 "[ . 1 . 2]" 1
1080 2 40 TYR HA 2 43 THR H . . 5.000 3.909 2.913 4.457 . 0 0 "[ . 1 . 2]" 1
1081 2 40 TYR HA 2 43 THR MG . . 6.000 4.987 3.665 5.945 . 0 0 "[ . 1 . 2]" 1
1082 2 40 TYR QB 2 41 GLY H . . 3.500 2.693 2.397 3.201 . 0 0 "[ . 1 . 2]" 1
1083 2 41 GLY H 2 42 ASN H . . 3.500 2.696 2.346 2.951 . 0 0 "[ . 1 . 2]" 1
1084 2 41 GLY HA2 2 42 ASN H . . 5.000 3.551 3.488 3.602 . 0 0 "[ . 1 . 2]" 1
1085 2 41 GLY HA2 2 43 THR H . . 5.000 4.524 3.952 4.945 . 0 0 "[ . 1 . 2]" 1
1086 2 41 GLY HA3 2 42 ASN H . . 5.000 3.038 2.896 3.151 . 0 0 "[ . 1 . 2]" 1
1087 2 41 GLY HA3 2 43 THR H . . 5.000 4.847 4.486 5.162 0.162 7 0 "[ . 1 . 2]" 1
1088 2 42 ASN H 2 42 ASN QB . . 2.600 2.236 2.169 2.352 . 0 0 "[ . 1 . 2]" 1
1089 2 42 ASN H 2 43 THR HA . . 5.000 5.012 4.929 5.071 0.071 3 0 "[ . 1 . 2]" 1
1090 2 42 ASN HA 2 43 THR H . . 5.000 3.500 3.409 3.587 . 0 0 "[ . 1 . 2]" 1
1091 2 42 ASN QB 2 43 THR H . . 5.000 2.916 2.612 3.213 . 0 0 "[ . 1 . 2]" 1
1092 2 43 THR H 2 43 THR MG . . 4.500 3.654 2.543 3.942 . 0 0 "[ . 1 . 2]" 1
1093 2 43 THR H 2 44 ALA H . . 5.000 2.671 2.091 4.591 . 0 0 "[ . 1 . 2]" 1
1094 2 43 THR HB 2 44 ALA H . . 3.500 2.952 2.304 3.503 0.003 11 0 "[ . 1 . 2]" 1
1095 2 43 THR HB 2 44 ALA MB . . 6.000 4.497 3.870 4.902 . 0 0 "[ . 1 . 2]" 1
1096 2 43 THR HB 2 45 ASP H . . 5.000 4.106 2.816 5.030 0.030 6 0 "[ . 1 . 2]" 1
1097 2 43 THR MG 2 44 ALA H . . 6.000 3.796 2.914 4.334 . 0 0 "[ . 1 . 2]" 1
1098 2 43 THR MG 2 45 ASP H . . 6.000 3.395 1.793 4.585 . 0 0 "[ . 1 . 2]" 1
1099 2 44 ALA H 2 45 ASP H . . 5.000 3.224 2.196 3.746 . 0 0 "[ . 1 . 2]" 1
1100 2 44 ALA MB 2 45 ASP H . . 6.000 3.549 3.186 3.750 . 0 0 "[ . 1 . 2]" 1
1101 2 45 ASP HA 2 46 GLU H . . 3.500 2.504 2.043 3.536 0.036 14 0 "[ . 1 . 2]" 1
1102 2 45 ASP QB 2 46 GLU H . . 3.500 3.265 2.097 4.012 0.512 5 2 "[ + 1 . - 2]" 1
1103 2 46 GLU HG2 2 48 ILE MD . . 6.000 4.719 2.689 6.312 0.312 3 0 "[ . 1 . 2]" 1
1104 2 47 ILE HA 2 47 ILE MD . . 4.500 2.779 2.066 3.625 . 0 0 "[ . 1 . 2]" 1
1105 2 47 ILE HA 2 48 ILE H . . 2.600 2.108 1.992 2.284 . 0 0 "[ . 1 . 2]" 1
1106 2 47 ILE MD 2 48 ILE H . . 3.500 3.052 2.069 3.583 0.083 12 0 "[ . 1 . 2]" 1
1107 2 47 ILE MD 2 50 LEU H . . 6.000 4.366 3.087 5.769 . 0 0 "[ . 1 . 2]" 1
1108 2 47 ILE MD 2 50 LEU QD . . 7.000 2.613 2.190 3.128 . 0 0 "[ . 1 . 2]" 1
1109 2 47 ILE MD 2 50 LEU HG . . 6.000 4.214 2.784 5.448 . 0 0 "[ . 1 . 2]" 1
1110 2 47 ILE MG 2 49 LYS H . . 6.000 4.594 2.718 5.765 . 0 0 "[ . 1 . 2]" 1
1111 2 48 ILE H 2 48 ILE HB . . 3.500 2.592 2.474 2.721 . 0 0 "[ . 1 . 2]" 1
1112 2 48 ILE H 2 49 LYS H . . 2.600 2.141 2.023 2.310 . 0 0 "[ . 1 . 2]" 1
1113 2 48 ILE HA 2 48 ILE MD . . 3.600 2.226 2.042 2.510 . 0 0 "[ . 1 . 2]" 1
1114 2 48 ILE HB 2 49 LYS H . . 3.500 2.413 2.227 2.585 . 0 0 "[ . 1 . 2]" 1
1115 2 48 ILE MD 2 49 LYS H . . 6.000 4.670 4.184 4.803 . 0 0 "[ . 1 . 2]" 1
1116 2 48 ILE HG12 2 49 LYS H . . 5.000 4.153 3.948 4.834 . 0 0 "[ . 1 . 2]" 1
1117 2 48 ILE HG13 2 49 LYS H . . 5.000 4.773 4.628 5.030 0.030 8 0 "[ . 1 . 2]" 1
1118 2 49 LYS HA 2 50 LEU H . . 2.600 2.204 2.102 2.338 . 0 0 "[ . 1 . 2]" 1
1119 2 50 LEU HA 2 51 ARG H . . 2.600 2.159 2.062 2.290 . 0 0 "[ . 1 . 2]" 1
1120 2 50 LEU QD 2 51 ARG H . . 6.000 2.882 2.364 3.243 . 0 0 "[ . 1 . 2]" 1
1121 2 51 ARG H 2 51 ARG QD . . 5.000 4.856 4.597 5.296 0.296 9 0 "[ . 1 . 2]" 1
1122 2 51 ARG H 2 51 ARG HG2 . . 5.000 4.512 4.043 4.795 . 0 0 "[ . 1 . 2]" 1
1123 2 51 ARG H 2 51 ARG HG3 . . 5.000 4.608 3.295 5.045 0.045 17 0 "[ . 1 . 2]" 1
1124 2 51 ARG HA 2 52 LEU H . . 2.600 2.171 2.092 2.246 . 0 0 "[ . 1 . 2]" 1
1125 2 51 ARG HB2 2 52 LEU H . . 5.000 4.355 3.603 4.622 . 0 0 "[ . 1 . 2]" 1
1126 2 51 ARG HB3 2 52 LEU H . . 5.000 3.909 2.433 4.443 . 0 0 "[ . 1 . 2]" 1
1127 2 52 LEU HA 2 53 ASP H . . 2.600 2.169 2.108 2.251 . 0 0 "[ . 1 . 2]" 1
1128 2 52 LEU QB 2 53 ASP H . . 5.000 3.690 3.527 3.869 . 0 0 "[ . 1 . 2]" 1
1129 2 52 LEU QD 2 53 ASP H . . 5.000 2.970 2.315 3.288 . 0 0 "[ . 1 . 2]" 1
1130 2 52 LEU HG 2 53 ASP H . . 5.000 2.708 2.284 3.449 . 0 0 "[ . 1 . 2]" 1
1131 2 53 ASP H 2 53 ASP HB2 . . 3.500 3.030 2.547 4.073 0.573 13 1 "[ . 1 + . 2]" 1
1132 2 53 ASP HA 2 54 LYS H . . 2.600 2.217 2.152 2.288 . 0 0 "[ . 1 . 2]" 1
1133 2 54 LYS H 2 54 LYS HB3 . . 3.500 2.496 2.262 2.741 . 0 0 "[ . 1 . 2]" 1
1134 2 54 LYS HA 2 55 VAL H . . 2.600 2.143 1.992 2.734 0.134 6 0 "[ . 1 . 2]" 1
1135 2 54 LYS HA 2 56 LEU H . . 6.000 5.798 3.553 6.153 0.153 2 0 "[ . 1 . 2]" 1
1136 2 55 VAL H 2 55 VAL MG1 . . 4.500 3.227 1.916 4.044 . 0 0 "[ . 1 . 2]" 1
1137 2 55 VAL HA 2 56 LEU H . . 2.600 2.198 1.911 2.799 0.199 17 0 "[ . 1 . 2]" 1
1138 2 55 VAL HB 2 56 LEU H . . 3.500 3.248 2.328 3.636 0.136 17 0 "[ . 1 . 2]" 1
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