NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
389121 |
1new   |
4744 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1new
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 797
_Distance_constraint_stats_list.Viol_count 1559
_Distance_constraint_stats_list.Viol_total 9648.193
_Distance_constraint_stats_list.Viol_max 0.983
_Distance_constraint_stats_list.Viol_rms 0.0592
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.1768
_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 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 2 ASP 21.733 0.764 17 17 "[ ***** 1 *. +**** * **- *3 *]"
1 3 VAL 14.203 0.739 21 9 "[ * 1 * **- * 2+* .* 3 .]"
1 4 VAL 5.675 0.540 18 4 "[ . 1 . + 2* .*- 3 .]"
1 5 THR 0.995 0.077 21 0 "[ . 1 . 2 . 3 .]"
1 6 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 7 GLU 2.127 0.944 32 2 "[ - . 1 . 2 . 3 + .]"
1 8 ASN 5.823 0.878 7 1 "[ . + 1 . 2 . 3 .]"
1 9 LYS 2.756 0.343 30 0 "[ . 1 . 2 . 3 .]"
1 10 LYS 14.849 0.891 35 7 "[ * . * 1 *. * - . * +]"
1 11 GLY 4.364 0.878 30 1 "[ . 1 . 2 . + .]"
1 12 ASN 4.966 0.729 3 1 "[ + . 1 . 2 . 3 .]"
1 13 VAL 3.098 0.431 18 0 "[ . 1 . 2 . 3 .]"
1 14 THR 5.170 0.739 21 4 "[ . 1 * -* 2+ . 3 .]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 16 ASP 10.640 0.646 15 9 "[ . * +- * 2 * *. * 3 * *.]"
1 17 HIS 28.822 0.764 17 19 "[ *.*** * ** + ** **** **3 * -*]"
1 18 LYS 6.685 0.293 24 0 "[ . 1 . 2 . 3 .]"
1 19 ALA 0.846 0.209 20 0 "[ . 1 . 2 . 3 .]"
1 20 HIS 4.371 0.282 2 0 "[ . 1 . 2 . 3 .]"
1 21 ALA 0.011 0.011 30 0 "[ . 1 . 2 . 3 .]"
1 22 GLU 10.579 0.314 5 0 "[ . 1 . 2 . 3 .]"
1 23 LYS 3.792 0.314 5 0 "[ . 1 . 2 . 3 .]"
1 24 LEU 14.672 0.301 33 0 "[ . 1 . 2 . 3 .]"
1 25 GLY 3.047 0.145 20 0 "[ . 1 . 2 . 3 .]"
1 26 CYS 0.354 0.145 20 0 "[ . 1 . 2 . 3 .]"
1 27 ASP 0.188 0.038 7 0 "[ . 1 . 2 . 3 .]"
1 28 ALA 0.290 0.089 18 0 "[ . 1 . 2 . 3 .]"
1 29 CYS 0.219 0.089 18 0 "[ . 1 . 2 . 3 .]"
1 30 HIS 1.033 0.375 27 0 "[ . 1 . 2 . 3 .]"
1 31 GLU 5.302 0.566 19 2 "[ . 1 . +2 . 3- .]"
1 32 GLY 11.839 0.566 19 2 "[ . 1 . +2 . 3- .]"
1 33 THR 14.215 0.486 9 0 "[ . 1 . 2 . 3 .]"
1 34 PRO 17.444 0.486 9 0 "[ . 1 . 2 . 3 .]"
1 35 ALA 1.536 0.093 31 0 "[ . 1 . 2 . 3 .]"
1 36 LYS 6.277 0.414 29 0 "[ . 1 . 2 . 3 .]"
1 37 ILE 1.515 0.215 18 0 "[ . 1 . 2 . 3 .]"
1 38 ALA 1.272 0.215 18 0 "[ . 1 . 2 . 3 .]"
1 39 ILE 0.751 0.163 13 0 "[ . 1 . 2 . 3 .]"
1 40 ASP 4.870 0.876 25 2 "[ . 1 . -2 + 3 .]"
1 41 LYS 1.175 0.193 1 0 "[ . 1 . 2 . 3 .]"
1 42 LYS 13.513 0.983 30 9 "[ . 1 . ***2 * *- *+ *]"
1 43 SER 1.032 0.094 35 0 "[ . 1 . 2 . 3 .]"
1 44 ALA 0.769 0.134 10 0 "[ . 1 . 2 . 3 .]"
1 45 HIS 3.369 0.161 5 0 "[ . 1 . 2 . 3 .]"
1 46 LYS 24.351 0.735 14 16 "[ .*** * *+* -*** . * ** **]"
1 47 ASP 3.590 0.641 15 1 "[ . 1 + 2 . 3 .]"
1 48 ALA 0.403 0.080 21 0 "[ . 1 . 2 . 3 .]"
1 49 CYS 4.493 0.234 31 0 "[ . 1 . 2 . 3 .]"
1 50 LYS 28.627 0.886 20 19 "[ * **** *1* * . +*- *. ***3 ****]"
1 51 THR 10.201 0.640 2 11 "[ + **** 1* * . 2- . * *3 * .]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 53 HIS 0.149 0.149 19 0 "[ . 1 . 2 . 3 .]"
1 54 LYS 20.888 0.587 35 3 "[ . -1 . 2 . 3 *+]"
1 55 SER 6.792 0.587 35 3 "[ . -1 . 2 . 3 *+]"
1 56 ASN 0.639 0.087 13 0 "[ . 1 . 2 . 3 .]"
1 57 ASN 0.325 0.062 25 0 "[ . 1 . 2 . 3 .]"
1 58 GLY 0.381 0.076 28 0 "[ . 1 . 2 . 3 .]"
1 59 PRO 12.281 0.788 17 3 "[ - .* 1 . + 2 . 3 .]"
1 60 THR 19.982 0.650 12 7 "[ . *1 + * -2 * 3 **.]"
1 61 LYS 10.890 0.876 30 5 "[ * . 1 . - * . +* .]"
1 62 CYS 2.345 0.299 2 0 "[ . 1 . 2 . 3 .]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 64 GLY 27.665 0.876 30 14 "[ * .* *1 * * **-* * +* **.]"
1 65 CYS 6.562 0.872 23 5 "[ * . 1* . * + . - .]"
1 66 HIS 4.277 0.872 23 3 "[ - . 1* . 2 + . 3 .]"
1 67 ILE 4.245 0.878 30 1 "[ . 1 . 2 . + .]"
1 68 LYS 1.517 0.440 5 0 "[ . 1 . 2 . 3 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 3 VAL H . . 7.200 4.362 2.019 5.473 . 0 0 "[ . 1 . 2 . 3 .]" 1
2 1 1 ALA MB 1 2 ASP H . . 6.000 2.225 1.830 3.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
3 1 1 ALA MB 1 3 VAL H . . 3.600 3.034 2.479 3.175 . 0 0 "[ . 1 . 2 . 3 .]" 1
4 1 2 ASP H 1 3 VAL H . . 6.200 2.386 1.922 3.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
5 1 2 ASP HA 1 3 VAL H . . 4.400 3.525 3.345 3.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
6 1 2 ASP HA 1 3 VAL MG2 . . 8.000 5.248 4.033 6.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 2 ASP HA 1 17 HIS H . . 4.600 3.913 3.307 4.307 . 0 0 "[ . 1 . 2 . 3 .]" 1
8 1 2 ASP HA 1 17 HIS HB2 . . 3.600 3.916 2.732 4.364 0.764 17 12 "[ *.*** 1 *. + ** * - *3 *]" 1
9 1 2 ASP HA 1 17 HIS HB3 . . 4.300 2.633 2.188 3.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
10 1 2 ASP HA 1 18 LYS H . . 3.200 2.379 2.135 2.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 2 ASP HA 1 18 LYS HA . . 4.200 4.112 3.798 4.242 0.042 26 0 "[ . 1 . 2 . 3 .]" 1
12 1 2 ASP HA 1 18 LYS HB2 . . 4.100 2.478 2.146 3.084 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 2 ASP HA 1 18 LYS HB3 . . 4.700 3.550 2.479 4.664 . 0 0 "[ . 1 . 2 . 3 .]" 1
14 1 2 ASP HA 1 18 LYS QD . . 8.200 4.049 2.271 5.114 . 0 0 "[ . 1 . 2 . 3 .]" 1
15 1 2 ASP HA 1 18 LYS QE . . 7.700 5.009 3.445 6.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
16 1 2 ASP HA 1 18 LYS HG3 . . 6.300 3.944 2.169 5.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
17 1 2 ASP HB2 1 3 VAL H . . 4.400 3.265 2.300 3.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
18 1 2 ASP HB2 1 18 LYS HB3 . . 6.100 4.230 2.140 6.393 0.293 24 0 "[ . 1 . 2 . 3 .]" 1
19 1 2 ASP HB2 1 18 LYS QD . . 7.500 4.434 2.636 5.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
20 1 2 ASP HB2 1 18 LYS QE . . 8.500 5.432 2.593 7.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
21 1 2 ASP HB3 1 3 VAL H . . 3.800 3.486 2.051 4.308 0.508 5 1 "[ + 1 . 2 . 3 .]" 1
22 1 2 ASP HB3 1 3 VAL MG2 . . 7.000 4.951 2.842 6.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
23 1 2 ASP HB3 1 4 VAL H . . 7.500 7.305 6.184 8.040 0.540 18 4 "[ . 1 . + 2* .*- 3 .]" 1
24 1 3 VAL H 1 3 VAL HB . . 3.600 3.195 2.312 3.734 0.134 18 0 "[ . 1 . 2 . 3 .]" 1
25 1 3 VAL H 1 4 VAL H . . 5.400 4.299 3.147 4.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
26 1 3 VAL H 1 4 VAL MG2 . . 7.800 3.726 3.300 4.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
27 1 3 VAL H 1 16 ASP HA . . 6.600 5.216 4.630 5.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
28 1 3 VAL H 1 17 HIS H . . 6.500 4.486 4.083 4.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
29 1 3 VAL H 1 18 LYS H . . 4.500 4.594 4.445 4.665 0.165 15 0 "[ . 1 . 2 . 3 .]" 1
30 1 3 VAL HA 1 4 VAL H . . 3.100 2.299 2.151 2.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
31 1 3 VAL HA 1 4 VAL HB . . 6.000 4.506 4.171 4.963 . 0 0 "[ . 1 . 2 . 3 .]" 1
32 1 3 VAL HA 1 4 VAL MG2 . . 8.000 3.574 3.234 4.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 3 VAL HA 1 16 ASP HA . . 3.300 2.413 2.153 2.864 . 0 0 "[ . 1 . 2 . 3 .]" 1
34 1 3 VAL HA 1 16 ASP HB3 . . 4.900 4.460 2.872 4.952 0.052 20 0 "[ . 1 . 2 . 3 .]" 1
35 1 3 VAL HA 1 17 HIS H . . 3.100 2.679 2.256 3.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
36 1 3 VAL HA 1 17 HIS HB3 . . 4.700 4.314 3.777 5.349 0.649 26 1 "[ . 1 . 2 .+ 3 .]" 1
37 1 3 VAL HB 1 4 VAL H . . 5.900 3.858 2.560 4.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 3 VAL HB 1 16 ASP HA . . 7.500 4.165 3.329 5.366 . 0 0 "[ . 1 . 2 . 3 .]" 1
39 1 3 VAL MG1 1 4 VAL H . . 5.600 3.348 2.271 4.381 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 3 VAL MG1 1 14 THR HB . . 7.000 6.303 4.486 7.739 0.739 21 4 "[ . 1 * -* 2+ . 3 .]" 1
41 1 3 VAL MG1 1 14 THR MG . . 5.500 3.616 2.094 4.723 . 0 0 "[ . 1 . 2 . 3 .]" 1
42 1 3 VAL MG1 1 15 PHE H . . 6.600 5.215 3.267 6.447 . 0 0 "[ . 1 . 2 . 3 .]" 1
43 1 3 VAL MG1 1 16 ASP HA . . 6.000 3.936 2.247 5.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
44 1 3 VAL MG1 1 17 HIS H . . 8.000 4.588 3.082 5.387 . 0 0 "[ . 1 . 2 . 3 .]" 1
45 1 3 VAL MG2 1 4 VAL H . . 7.400 3.130 2.161 4.248 . 0 0 "[ . 1 . 2 . 3 .]" 1
46 1 3 VAL MG2 1 14 THR MG . . 6.800 3.221 1.981 4.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
47 1 3 VAL MG2 1 16 ASP HA . . 4.500 3.162 2.368 5.028 0.528 18 3 "[ . 1 .- + 2 * . 3 .]" 1
48 1 3 VAL MG2 1 16 ASP HB3 . . 7.300 4.582 3.323 6.685 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 3 VAL MG2 1 17 HIS H . . 6.700 4.094 3.198 5.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
50 1 3 VAL MG2 1 18 LYS H . . 8.000 5.029 3.739 5.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
51 1 5 THR H 1 5 THR HB . . 3.600 2.795 2.414 3.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
52 1 5 THR H 1 6 TYR CG . . 9.500 5.550 4.594 6.836 . 0 0 "[ . 1 . 2 . 3 .]" 1
53 1 5 THR H 1 6 TYR H . . 5.500 4.392 4.114 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
54 1 5 THR H 1 14 THR HA . . 6.100 4.806 4.099 5.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
55 1 5 THR H 1 15 PHE H . . 7.200 4.390 3.344 4.759 . 0 0 "[ . 1 . 2 . 3 .]" 1
56 1 5 THR HA 1 6 TYR CG . . 7.700 5.128 4.605 5.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
57 1 5 THR HA 1 6 TYR H . . 3.000 2.265 2.178 2.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
58 1 5 THR HA 1 6 TYR HB2 . . 5.100 4.383 3.900 4.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 5 THR HA 1 6 TYR HB3 . . 6.300 5.645 5.250 5.813 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 5 THR HA 1 13 VAL H . . 5.900 4.935 4.587 5.416 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 5 THR HA 1 14 THR H . . 4.800 4.796 4.047 4.877 0.077 21 0 "[ . 1 . 2 . 3 .]" 1
62 1 5 THR HA 1 14 THR HA . . 4.300 2.329 2.072 2.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
63 1 5 THR HA 1 14 THR MG . . 7.700 3.741 3.148 4.233 . 0 0 "[ . 1 . 2 . 3 .]" 1
64 1 5 THR HA 1 15 PHE CG . . 9.500 4.980 4.550 6.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
65 1 5 THR HA 1 15 PHE H . . 4.500 2.628 2.003 3.105 . 0 0 "[ . 1 . 2 . 3 .]" 1
66 1 5 THR HA 1 15 PHE HB2 . . 7.200 3.925 2.605 5.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
67 1 5 THR HB 1 6 TYR H . . 5.600 4.053 3.814 4.393 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 5 THR MG 1 6 TYR H . . 5.600 2.545 2.274 3.512 . 0 0 "[ . 1 . 2 . 3 .]" 1
69 1 5 THR MG 1 7 GLU H . . 7.500 4.321 3.608 5.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
70 1 5 THR MG 1 7 GLU HG2 . . 6.800 4.218 2.946 5.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
71 1 5 THR MG 1 7 GLU HG3 . . 6.600 4.241 2.880 5.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 5 THR MG 1 12 ASN HA . . 7.400 4.642 3.932 5.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
73 1 5 THR MG 1 12 ASN HB2 . . 7.000 3.910 2.531 4.929 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 5 THR MG 1 12 ASN HB3 . . 5.600 3.805 2.579 4.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 5 THR MG 1 12 ASN QD . . 6.500 3.331 1.916 4.568 . 0 0 "[ . 1 . 2 . 3 .]" 1
76 1 5 THR MG 1 13 VAL H . . 7.200 3.733 3.110 5.176 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 5 THR MG 1 14 THR HA . . 6.700 2.719 2.195 4.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
78 1 7 GLU H 1 7 GLU HB2 . . 3.700 2.690 2.221 3.844 0.144 12 0 "[ . 1 . 2 . 3 .]" 1
79 1 7 GLU H 1 7 GLU HB3 . . 4.000 3.516 2.686 3.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 7 GLU H 1 7 GLU HG2 . . 4.700 3.454 2.197 4.193 . 0 0 "[ . 1 . 2 . 3 .]" 1
81 1 7 GLU H 1 7 GLU HG3 . . 3.800 2.718 2.029 4.744 0.944 32 1 "[ . 1 . 2 . 3 + .]" 1
82 1 7 GLU H 1 13 VAL H . . 7.500 4.925 4.644 5.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
83 1 7 GLU HA 1 7 GLU HG2 . . 4.400 2.943 2.398 4.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 7 GLU HA 1 7 GLU HG3 . . 4.400 3.239 2.420 3.825 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 7 GLU HA 1 8 ASN H . . 3.000 2.289 2.148 2.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
86 1 7 GLU HA 1 8 ASN HD21 . . 6.600 3.509 2.689 4.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 7 GLU HA 1 12 ASN HA . . 4.100 2.425 2.064 3.209 . 0 0 "[ . 1 . 2 . 3 .]" 1
88 1 7 GLU HA 1 12 ASN QD . . 6.300 3.800 2.233 5.081 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 7 GLU HA 1 13 VAL H . . 5.400 3.513 2.981 4.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 7 GLU HB2 1 8 ASN H . . 4.400 3.888 2.667 4.421 0.021 14 0 "[ . 1 . 2 . 3 .]" 1
91 1 7 GLU HB3 1 8 ASN H . . 4.300 3.218 2.159 4.129 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 7 GLU HG2 1 12 ASN QD . . 5.700 3.821 2.350 6.429 0.729 3 1 "[ + . 1 . 2 . 3 .]" 1
93 1 7 GLU HG3 1 12 ASN QD . . 7.500 4.567 1.970 6.512 . 0 0 "[ . 1 . 2 . 3 .]" 1
94 1 8 ASN H 1 8 ASN HD21 . . 3.900 3.149 2.282 3.915 0.015 10 0 "[ . 1 . 2 . 3 .]" 1
95 1 8 ASN H 1 8 ASN HD22 . . 5.100 4.320 3.483 4.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 8 ASN H 1 10 LYS H . . 6.600 5.000 3.986 5.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
97 1 8 ASN H 1 11 GLY H . . 6.200 4.248 3.295 5.068 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 8 ASN H 1 12 ASN H . . 7.500 4.097 2.173 5.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
99 1 8 ASN H 1 12 ASN HA . . 3.700 2.633 1.979 3.733 0.033 34 0 "[ . 1 . 2 . 3 .]" 1
100 1 8 ASN H 1 13 VAL H . . 5.600 4.393 3.613 5.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
101 1 8 ASN HA 1 8 ASN HD21 . . 4.900 3.784 3.135 4.363 . 0 0 "[ . 1 . 2 . 3 .]" 1
102 1 8 ASN HA 1 9 LYS H . . 3.300 2.426 2.139 2.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
103 1 8 ASN HA 1 9 LYS HB2 . . 6.300 4.744 3.968 5.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 8 ASN HA 1 9 LYS HB3 . . 7.300 5.384 4.382 6.050 . 0 0 "[ . 1 . 2 . 3 .]" 1
105 1 8 ASN HA 1 10 LYS H . . 7.300 4.285 3.762 4.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
106 1 8 ASN HA 1 12 ASN HA . . 7.500 5.096 4.335 6.061 . 0 0 "[ . 1 . 2 . 3 .]" 1
107 1 8 ASN HB2 1 8 ASN HD21 . . 3.600 2.835 2.223 3.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
108 1 8 ASN HB2 1 9 LYS H . . 3.900 3.283 2.001 3.987 0.087 15 0 "[ . 1 . 2 . 3 .]" 1
109 1 8 ASN HB2 1 10 LYS H . . 6.700 3.437 2.589 4.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
110 1 8 ASN HB2 1 11 GLY H . . 7.500 3.764 2.052 6.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
111 1 8 ASN HB2 1 12 ASN HA . . 7.500 4.040 2.310 6.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
112 1 8 ASN HB2 1 13 VAL H . . 7.500 5.052 3.016 7.293 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 8 ASN HB3 1 9 LYS H . . 3.600 2.956 2.098 3.943 0.343 30 0 "[ . 1 . 2 . 3 .]" 1
114 1 8 ASN HB3 1 10 LYS H . . 4.900 3.292 2.090 4.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 8 ASN HB3 1 11 GLY H . . 7.500 4.308 2.555 6.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
116 1 8 ASN HD21 1 10 LYS HB2 . . 7.200 6.287 4.664 8.078 0.878 7 1 "[ . + 1 . 2 . 3 .]" 1
117 1 8 ASN HD21 1 11 GLY H . . 7.300 5.259 3.481 7.196 . 0 0 "[ . 1 . 2 . 3 .]" 1
118 1 8 ASN HD21 1 12 ASN HA . . 3.400 2.988 2.265 3.447 0.047 29 0 "[ . 1 . 2 . 3 .]" 1
119 1 8 ASN HD21 1 13 VAL H . . 5.000 3.082 2.196 4.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 8 ASN HD21 1 13 VAL HB . . 7.300 4.057 2.629 6.186 . 0 0 "[ . 1 . 2 . 3 .]" 1
121 1 8 ASN HD21 1 13 VAL MG1 . . 8.000 2.643 1.993 4.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
122 1 8 ASN HD22 1 12 ASN HA . . 4.600 3.962 2.453 4.701 0.101 3 0 "[ . 1 . 2 . 3 .]" 1
123 1 8 ASN HD22 1 13 VAL H . . 5.500 3.653 1.996 4.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
124 1 8 ASN HD22 1 13 VAL HB . . 7.500 3.892 2.172 5.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
125 1 9 LYS H 1 9 LYS HB2 . . 3.900 2.547 2.029 3.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
126 1 9 LYS H 1 9 LYS HB3 . . 3.700 3.153 2.425 3.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 9 LYS H 1 9 LYS QD . . 5.400 4.043 1.921 4.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
128 1 9 LYS H 1 10 LYS H . . 4.200 2.597 2.070 3.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 9 LYS H 1 11 GLY H . . 6.000 4.412 3.909 5.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
130 1 9 LYS HA 1 9 LYS QD . . 4.700 3.770 2.248 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
131 1 9 LYS HA 1 10 LYS H . . 4.500 3.491 2.960 3.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 9 LYS HA 1 11 GLY H . . 5.700 4.031 3.251 5.682 . 0 0 "[ . 1 . 2 . 3 .]" 1
133 1 9 LYS HB2 1 10 LYS H . . 4.800 3.480 2.517 4.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 9 LYS HB3 1 9 LYS QD . . 3.800 2.818 2.224 3.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 9 LYS HB3 1 10 LYS H . . 4.900 3.574 2.549 4.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 9 LYS QD 1 10 LYS H . . 8.500 4.845 2.947 5.932 . 0 0 "[ . 1 . 2 . 3 .]" 1
137 1 10 LYS H 1 10 LYS QE . . 4.800 4.515 2.918 5.129 0.329 3 0 "[ . 1 . 2 . 3 .]" 1
138 1 10 LYS H 1 10 LYS HG2 . . 4.000 3.558 2.420 4.891 0.891 35 7 "[ * . * 1 *. * - . * +]" 1
139 1 10 LYS H 1 11 GLY H . . 3.400 2.850 1.964 3.499 0.099 3 0 "[ . 1 . 2 . 3 .]" 1
140 1 10 LYS H 1 11 GLY HA2 . . 7.500 5.093 4.220 5.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
141 1 10 LYS HA 1 10 LYS QE . . 5.200 3.120 2.038 4.647 . 0 0 "[ . 1 . 2 . 3 .]" 1
142 1 10 LYS HA 1 10 LYS HG2 . . 3.400 3.013 2.273 3.933 0.533 20 1 "[ . 1 . + . 3 .]" 1
143 1 10 LYS HA 1 11 GLY H . . 4.400 3.162 2.344 3.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 10 LYS QE 1 10 LYS HG2 . . 3.800 2.628 2.190 3.522 . 0 0 "[ . 1 . 2 . 3 .]" 1
145 1 10 LYS QE 1 11 GLY H . . 6.900 5.505 3.526 6.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 10 LYS HG2 1 11 GLY H . . 6.100 5.021 3.875 6.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
147 1 11 GLY H 1 12 ASN H . . 5.100 4.023 2.348 4.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
148 1 11 GLY H 1 12 ASN HA . . 5.400 4.768 4.105 5.491 0.091 12 0 "[ . 1 . 2 . 3 .]" 1
149 1 11 GLY HA2 1 12 ASN H . . 3.700 2.447 2.133 3.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
150 1 11 GLY HA2 1 12 ASN HA . . 5.500 4.463 4.234 4.942 . 0 0 "[ . 1 . 2 . 3 .]" 1
151 1 11 GLY HA2 1 12 ASN QD . . 7.500 5.618 4.012 6.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
152 1 11 GLY HA2 1 66 HIS HA . . 7.400 5.164 4.214 6.193 . 0 0 "[ . 1 . 2 . 3 .]" 1
153 1 11 GLY HA2 1 66 HIS HB2 . . 7.500 6.326 5.470 7.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
154 1 11 GLY HA2 1 66 HIS HB3 . . 6.500 4.657 3.779 5.804 . 0 0 "[ . 1 . 2 . 3 .]" 1
155 1 11 GLY HA2 1 67 ILE H . . 6.300 4.566 3.730 6.061 . 0 0 "[ . 1 . 2 . 3 .]" 1
156 1 11 GLY HA2 1 67 ILE HG12 . . 7.400 6.822 5.072 8.278 0.878 30 1 "[ . 1 . 2 . + .]" 1
157 1 11 GLY HA2 1 68 LYS HA . . 6.200 5.221 3.591 6.309 0.109 20 0 "[ . 1 . 2 . 3 .]" 1
158 1 11 GLY HA2 1 68 LYS HB2 . . 7.500 4.870 2.336 7.940 0.440 5 0 "[ . 1 . 2 . 3 .]" 1
159 1 11 GLY HA3 1 12 ASN H . . 3.600 2.924 2.200 3.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
160 1 11 GLY HA3 1 12 ASN HA . . 7.500 4.774 4.310 5.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
161 1 11 GLY HA3 1 66 HIS HA . . 5.700 3.717 2.559 5.002 . 0 0 "[ . 1 . 2 . 3 .]" 1
162 1 11 GLY HA3 1 66 HIS HB2 . . 6.000 4.642 3.764 5.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
163 1 11 GLY HA3 1 66 HIS HB3 . . 4.700 3.053 2.176 4.302 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 11 GLY HA3 1 67 ILE H . . 4.500 3.315 2.303 4.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
165 1 11 GLY HA3 1 68 LYS HA . . 7.000 4.661 3.322 6.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 11 GLY HA3 1 68 LYS HB3 . . 7.500 4.554 2.396 7.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
167 1 12 ASN H 1 12 ASN HB2 . . 4.400 3.002 2.308 3.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
168 1 12 ASN H 1 13 VAL H . . 5.800 4.553 3.859 4.714 . 0 0 "[ . 1 . 2 . 3 .]" 1
169 1 12 ASN HA 1 13 VAL H . . 3.000 2.275 2.169 2.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
170 1 12 ASN HA 1 13 VAL HB . . 6.300 4.570 3.530 5.789 . 0 0 "[ . 1 . 2 . 3 .]" 1
171 1 12 ASN HA 1 13 VAL MG1 . . 7.800 3.692 3.015 5.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
172 1 12 ASN HB2 1 13 VAL H . . 4.700 3.599 2.392 4.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
173 1 12 ASN HB2 1 13 VAL HA . . 5.800 5.032 4.455 6.048 0.248 34 0 "[ . 1 . 2 . 3 .]" 1
174 1 12 ASN HB3 1 13 VAL H . . 3.900 3.550 2.531 4.331 0.431 18 0 "[ . 1 . 2 . 3 .]" 1
175 1 13 VAL H 1 14 THR H . . 5.100 4.206 2.214 4.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 13 VAL H 1 66 HIS HA . . 6.400 5.033 4.369 5.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 13 VAL H 1 67 ILE H . . 7.500 5.498 4.825 6.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 13 VAL HA 1 14 THR H . . 3.100 2.208 2.077 3.179 0.079 32 0 "[ . 1 . 2 . 3 .]" 1
179 1 13 VAL HA 1 14 THR HA . . 6.600 4.489 4.394 5.055 . 0 0 "[ . 1 . 2 . 3 .]" 1
180 1 13 VAL HA 1 14 THR HB . . 5.200 4.610 4.408 4.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 13 VAL HA 1 66 HIS HA . . 4.600 3.539 2.585 4.646 0.046 29 0 "[ . 1 . 2 . 3 .]" 1
182 1 13 VAL HA 1 67 ILE H . . 5.400 4.101 3.147 5.248 . 0 0 "[ . 1 . 2 . 3 .]" 1
183 1 13 VAL HB 1 14 THR H . . 6.600 4.109 3.013 4.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
184 1 13 VAL HB 1 66 HIS HA . . 5.500 3.788 2.467 5.267 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 13 VAL HB 1 67 ILE H . . 7.500 5.219 3.961 6.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 13 VAL MG1 1 14 THR H . . 8.000 4.037 2.903 4.386 . 0 0 "[ . 1 . 2 . 3 .]" 1
187 1 13 VAL MG2 1 14 THR H . . 5.800 3.060 1.878 4.350 . 0 0 "[ . 1 . 2 . 3 .]" 1
188 1 13 VAL MG2 1 15 PHE H . . 8.000 4.329 2.578 5.217 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 13 VAL MG2 1 15 PHE HB2 . . 6.800 4.757 2.376 6.318 . 0 0 "[ . 1 . 2 . 3 .]" 1
190 1 13 VAL MG2 1 15 PHE HB3 . . 8.000 5.361 3.602 6.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
191 1 13 VAL MG2 1 65 CYS HA . . 7.300 3.889 2.620 5.725 . 0 0 "[ . 1 . 2 . 3 .]" 1
192 1 13 VAL MG2 1 65 CYS HB3 . . 6.500 3.036 1.953 5.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 13 VAL MG2 1 66 HIS HA . . 8.000 4.050 2.859 5.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
194 1 14 THR H 1 14 THR HB . . 3.600 2.550 2.387 2.920 . 0 0 "[ . 1 . 2 . 3 .]" 1
195 1 14 THR H 1 15 PHE H . . 5.600 4.365 3.573 4.619 . 0 0 "[ . 1 . 2 . 3 .]" 1
196 1 14 THR HA 1 15 PHE H . . 3.000 2.233 2.091 2.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
197 1 14 THR HA 1 15 PHE HB2 . . 6.400 4.474 3.875 4.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
198 1 14 THR HB 1 15 PHE H . . 5.600 4.200 3.775 4.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
199 1 14 THR MG 1 15 PHE H . . 5.900 2.889 2.291 3.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
200 1 14 THR MG 1 16 ASP HA . . 8.000 4.059 3.482 4.889 . 0 0 "[ . 1 . 2 . 3 .]" 1
201 1 14 THR MG 1 16 ASP HB3 . . 7.300 5.263 3.899 6.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
202 1 16 ASP H 1 16 ASP HB3 . . 4.300 3.604 3.201 3.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 16 ASP HA 1 17 HIS H . . 3.100 2.282 2.126 2.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 16 ASP HA 1 17 HIS HA . . 6.600 4.463 4.339 4.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 16 ASP HA 1 17 HIS HB3 . . 4.800 4.993 4.572 5.446 0.646 15 6 "[ . * + 2 *. * 3 * -.]" 1
206 1 16 ASP HA 1 18 LYS H . . 4.400 4.319 4.057 4.479 0.079 21 0 "[ . 1 . 2 . 3 .]" 1
207 1 16 ASP HA 1 19 ALA H . . 7.200 4.358 3.867 4.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
208 1 16 ASP HA 1 19 ALA MB . . 5.400 3.772 2.670 4.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 16 ASP HB2 1 19 ALA H . . 6.600 4.675 3.502 5.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
210 1 16 ASP HB2 1 19 ALA MB . . 5.800 3.379 2.143 4.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
211 1 16 ASP HB3 1 17 HIS H . . 4.600 2.967 2.320 3.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
212 1 16 ASP HB3 1 19 ALA H . . 7.500 3.267 2.360 4.512 . 0 0 "[ . 1 . 2 . 3 .]" 1
213 1 16 ASP HB3 1 19 ALA MB . . 5.600 2.354 2.089 3.336 . 0 0 "[ . 1 . 2 . 3 .]" 1
214 1 17 HIS H 1 17 HIS HB2 . . 3.000 2.653 2.263 2.905 . 0 0 "[ . 1 . 2 . 3 .]" 1
215 1 17 HIS H 1 17 HIS HB3 . . 2.800 2.913 2.630 3.149 0.349 15 0 "[ . 1 . 2 . 3 .]" 1
216 1 17 HIS H 1 18 LYS H . . 3.200 2.164 1.958 2.470 . 0 0 "[ . 1 . 2 . 3 .]" 1
217 1 17 HIS H 1 18 LYS HB2 . . 7.400 4.493 3.781 5.115 . 0 0 "[ . 1 . 2 . 3 .]" 1
218 1 17 HIS H 1 19 ALA H . . 6.900 3.207 2.633 3.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
219 1 17 HIS HA 1 18 LYS H . . 3.600 3.576 3.542 3.615 0.015 17 0 "[ . 1 . 2 . 3 .]" 1
220 1 17 HIS HA 1 19 ALA H . . 7.500 5.043 4.567 5.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
221 1 17 HIS HA 1 20 HIS H . . 3.900 3.937 3.757 4.003 0.103 26 0 "[ . 1 . 2 . 3 .]" 1
222 1 17 HIS HA 1 20 HIS HB2 . . 5.400 3.245 2.781 3.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
223 1 17 HIS HA 1 21 ALA H . . 7.200 3.874 3.701 4.100 . 0 0 "[ . 1 . 2 . 3 .]" 1
224 1 17 HIS HB3 1 18 LYS H . . 2.500 2.339 2.104 2.672 0.172 10 0 "[ . 1 . 2 . 3 .]" 1
225 1 18 LYS H 1 18 LYS HA . . 3.000 2.922 2.847 2.974 . 0 0 "[ . 1 . 2 . 3 .]" 1
226 1 18 LYS H 1 18 LYS HB2 . . 4.100 2.480 2.133 2.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
227 1 18 LYS H 1 18 LYS HB3 . . 4.000 2.998 2.328 3.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
228 1 18 LYS H 1 19 ALA H . . 3.100 2.590 2.203 2.863 . 0 0 "[ . 1 . 2 . 3 .]" 1
229 1 18 LYS H 1 19 ALA MB . . 8.000 4.238 3.838 4.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
230 1 18 LYS H 1 20 HIS H . . 3.900 3.940 3.777 4.011 0.111 4 0 "[ . 1 . 2 . 3 .]" 1
231 1 18 LYS H 1 21 ALA H . . 6.500 4.549 4.395 4.733 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 18 LYS H 1 21 ALA MB . . 5.600 4.493 4.396 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 18 LYS HA 1 18 LYS HG2 . . 4.400 2.840 2.189 3.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
234 1 18 LYS HA 1 18 LYS HG3 . . 3.700 2.965 2.339 3.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
235 1 18 LYS HA 1 19 ALA H . . 4.700 3.600 3.514 3.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
236 1 18 LYS HA 1 20 HIS H . . 5.900 4.311 4.004 4.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
237 1 18 LYS HA 1 21 ALA H . . 4.200 3.410 3.109 3.874 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 18 LYS HA 1 21 ALA MB . . 3.300 2.343 2.099 2.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
239 1 18 LYS HA 1 22 GLU H . . 5.000 4.019 3.196 5.035 0.035 4 0 "[ . 1 . 2 . 3 .]" 1
240 1 18 LYS HB2 1 19 ALA H . . 4.700 3.287 2.384 4.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
241 1 18 LYS HB3 1 19 ALA H . . 4.100 2.685 2.243 3.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
242 1 18 LYS HB3 1 19 ALA MB . . 7.500 4.001 3.493 4.654 . 0 0 "[ . 1 . 2 . 3 .]" 1
243 1 18 LYS QD 1 19 ALA H . . 8.500 4.639 3.210 5.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
244 1 18 LYS QE 1 22 GLU QG . . 8.300 4.472 2.295 7.295 . 0 0 "[ . 1 . 2 . 3 .]" 1
245 1 18 LYS HG2 1 19 ALA H . . 7.000 4.427 3.329 5.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
246 1 18 LYS HG3 1 19 ALA H . . 7.500 4.552 3.145 5.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 19 ALA H 1 20 HIS H . . 3.000 2.861 2.569 3.075 0.075 7 0 "[ . 1 . 2 . 3 .]" 1
248 1 19 ALA H 1 20 HIS HA . . 6.600 5.492 5.267 5.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 19 ALA H 1 20 HIS HB2 . . 6.400 4.992 4.638 5.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
250 1 19 ALA H 1 21 ALA H . . 4.800 4.368 3.961 4.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
251 1 19 ALA H 1 22 GLU H . . 6.600 4.896 4.760 5.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
252 1 19 ALA H 1 22 GLU QG . . 7.500 4.415 4.087 5.294 . 0 0 "[ . 1 . 2 . 3 .]" 1
253 1 19 ALA HA 1 20 HIS H . . 4.700 3.568 3.487 3.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
254 1 19 ALA HA 1 21 ALA H . . 7.500 4.721 4.458 5.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 19 ALA HA 1 22 GLU H . . 4.500 3.618 3.243 4.290 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 19 ALA HA 1 22 GLU HB2 . . 5.200 3.835 2.990 5.238 0.038 14 0 "[ . 1 . 2 . 3 .]" 1
257 1 19 ALA HA 1 22 GLU HB3 . . 5.000 4.622 3.211 5.209 0.209 20 0 "[ . 1 . 2 . 3 .]" 1
258 1 19 ALA HA 1 22 GLU QG . . 7.500 2.541 2.079 3.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 19 ALA HA 1 23 LYS H . . 6.800 5.281 4.927 5.565 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 19 ALA MB 1 20 HIS H . . 3.600 2.882 2.602 3.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 20 HIS H 1 20 HIS HB2 . . 3.300 2.319 2.224 2.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
262 1 20 HIS H 1 20 HIS HB3 . . 4.100 3.550 3.482 3.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
263 1 20 HIS H 1 21 ALA H . . 2.900 2.562 2.367 2.715 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 20 HIS H 1 21 ALA MB . . 5.700 4.199 4.010 4.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 20 HIS H 1 22 GLU H . . 5.000 4.166 3.959 4.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 20 HIS HA 1 21 ALA H . . 4.700 3.629 3.601 3.655 . 0 0 "[ . 1 . 2 . 3 .]" 1
267 1 20 HIS HA 1 22 GLU H . . 5.200 4.373 3.924 4.585 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 20 HIS HA 1 23 LYS H . . 5.700 3.790 3.502 4.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
269 1 20 HIS HA 1 23 LYS HB2 . . 5.700 3.934 3.191 5.789 0.089 29 0 "[ . 1 . 2 . 3 .]" 1
270 1 20 HIS HA 1 23 LYS QD . . 7.500 5.841 3.136 6.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 20 HIS HA 1 23 LYS QG . . 4.900 4.479 2.814 5.182 0.282 2 0 "[ . 1 . 2 . 3 .]" 1
272 1 20 HIS HA 1 24 LEU H . . 7.500 4.045 3.840 4.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
273 1 20 HIS HB2 1 21 ALA H . . 3.400 2.718 2.368 3.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 20 HIS HB2 1 21 ALA MB . . 6.100 4.299 3.986 4.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 20 HIS HB3 1 21 ALA H . . 5.500 3.161 2.872 3.447 . 0 0 "[ . 1 . 2 . 3 .]" 1
276 1 21 ALA H 1 21 ALA MB . . 3.300 2.250 2.204 2.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 21 ALA H 1 22 GLU H . . 3.900 3.039 2.935 3.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
278 1 21 ALA H 1 23 LYS H . . 5.100 4.524 4.353 4.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 21 ALA HA 1 22 GLU H . . 4.500 3.594 3.536 3.627 . 0 0 "[ . 1 . 2 . 3 .]" 1
280 1 21 ALA HA 1 23 LYS H . . 6.100 4.001 3.668 4.155 . 0 0 "[ . 1 . 2 . 3 .]" 1
281 1 21 ALA HA 1 24 LEU H . . 5.000 3.163 2.818 3.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
282 1 21 ALA HA 1 24 LEU HB2 . . 5.900 2.357 2.160 2.638 . 0 0 "[ . 1 . 2 . 3 .]" 1
283 1 21 ALA HA 1 24 LEU HB3 . . 4.300 3.547 3.122 3.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
284 1 21 ALA HA 1 25 GLY H . . 4.700 2.251 1.996 2.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
285 1 21 ALA HA 1 26 CYS HA . . 5.400 4.556 4.155 5.411 0.011 30 0 "[ . 1 . 2 . 3 .]" 1
286 1 21 ALA MB 1 22 GLU H . . 4.300 2.722 2.577 2.986 . 0 0 "[ . 1 . 2 . 3 .]" 1
287 1 21 ALA MB 1 22 GLU HA . . 6.100 3.920 3.783 4.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 21 ALA MB 1 22 GLU HB2 . . 7.800 5.057 4.648 5.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
289 1 21 ALA MB 1 22 GLU HB3 . . 8.000 5.247 4.150 5.801 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 21 ALA MB 1 22 GLU QG . . 7.800 3.742 3.140 4.741 . 0 0 "[ . 1 . 2 . 3 .]" 1
291 1 21 ALA MB 1 23 LYS H . . 5.900 4.519 4.319 4.662 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 21 ALA MB 1 25 GLY H . . 5.300 3.289 3.024 3.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
293 1 21 ALA MB 1 26 CYS H . . 8.000 3.421 2.890 4.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
294 1 21 ALA MB 1 26 CYS HA . . 6.500 3.947 3.724 4.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
295 1 22 GLU H 1 22 GLU HA . . 3.100 2.789 2.744 2.891 . 0 0 "[ . 1 . 2 . 3 .]" 1
296 1 22 GLU H 1 22 GLU HB2 . . 3.400 2.842 2.345 3.639 0.239 32 0 "[ . 1 . 2 . 3 .]" 1
297 1 22 GLU H 1 22 GLU HB3 . . 4.100 3.389 2.326 3.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
298 1 22 GLU H 1 22 GLU QG . . 3.400 2.120 1.957 2.654 . 0 0 "[ . 1 . 2 . 3 .]" 1
299 1 22 GLU H 1 23 LYS H . . 3.100 2.899 2.656 3.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
300 1 22 GLU H 1 24 LEU H . . 6.700 4.263 3.939 4.539 . 0 0 "[ . 1 . 2 . 3 .]" 1
301 1 22 GLU HA 1 22 GLU QG . . 3.800 2.734 2.273 3.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 22 GLU HA 1 23 LYS H . . 4.700 3.542 3.365 3.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
303 1 22 GLU HA 1 23 LYS HA . . 7.100 4.666 4.464 4.752 . 0 0 "[ . 1 . 2 . 3 .]" 1
304 1 22 GLU HA 1 24 LEU H . . 7.000 5.000 4.712 5.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
305 1 22 GLU HB2 1 23 LYS H . . 3.800 3.071 2.436 4.114 0.314 5 0 "[ . 1 . 2 . 3 .]" 1
306 1 22 GLU HB3 1 23 LYS H . . 4.400 3.889 3.393 4.400 0.000 19 0 "[ . 1 . 2 . 3 .]" 1
307 1 22 GLU QG 1 23 LYS H . . 7.500 3.715 2.238 4.298 . 0 0 "[ . 1 . 2 . 3 .]" 1
308 1 22 GLU QG 1 24 LEU H . . 5.400 5.413 4.274 5.701 0.301 33 0 "[ . 1 . 2 . 3 .]" 1
309 1 23 LYS H 1 23 LYS HB2 . . 3.600 2.489 2.234 3.691 0.091 29 0 "[ . 1 . 2 . 3 .]" 1
310 1 23 LYS H 1 23 LYS HB3 . . 3.800 3.501 2.153 3.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 23 LYS H 1 23 LYS QD . . 4.600 4.380 2.672 4.891 0.291 34 0 "[ . 1 . 2 . 3 .]" 1
312 1 23 LYS H 1 23 LYS QG . . 3.700 2.905 2.316 3.789 0.089 5 0 "[ . 1 . 2 . 3 .]" 1
313 1 23 LYS H 1 24 LEU H . . 3.400 2.235 1.985 2.498 . 0 0 "[ . 1 . 2 . 3 .]" 1
314 1 23 LYS H 1 24 LEU HA . . 6.900 4.887 4.678 5.061 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 23 LYS H 1 24 LEU HB2 . . 4.400 4.100 3.872 4.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
316 1 23 LYS H 1 24 LEU MD1 . . 8.000 3.459 3.095 4.483 . 0 0 "[ . 1 . 2 . 3 .]" 1
317 1 23 LYS H 1 25 GLY H . . 5.700 4.233 3.680 5.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
318 1 23 LYS HA 1 23 LYS QD . . 4.800 3.043 2.069 4.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 23 LYS HA 1 23 LYS QG . . 3.600 2.620 2.182 3.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 23 LYS HA 1 24 LEU H . . 4.700 3.584 3.470 3.635 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 23 LYS HA 1 24 LEU MD2 . . 8.000 6.560 6.061 6.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
322 1 23 LYS HA 1 25 GLY H . . 7.500 5.244 4.759 6.450 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 23 LYS HB2 1 24 LEU H . . 4.100 2.764 2.330 4.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 23 LYS HB2 1 24 LEU MD1 . . 8.000 2.582 2.060 3.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
325 1 23 LYS HB2 1 24 LEU MD2 . . 8.000 5.109 4.632 6.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
326 1 23 LYS HB3 1 24 LEU H . . 4.200 3.428 2.186 4.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
327 1 23 LYS HB3 1 24 LEU HB2 . . 7.500 5.327 4.088 6.180 . 0 0 "[ . 1 . 2 . 3 .]" 1
328 1 23 LYS HB3 1 24 LEU MD1 . . 8.000 3.125 2.116 4.831 . 0 0 "[ . 1 . 2 . 3 .]" 1
329 1 23 LYS HB3 1 24 LEU MD2 . . 8.000 5.506 4.715 6.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 23 LYS QG 1 24 LEU H . . 7.200 3.997 2.350 4.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 23 LYS QG 1 24 LEU MD1 . . 8.000 3.765 1.871 5.144 . 0 0 "[ . 1 . 2 . 3 .]" 1
332 1 24 LEU H 1 24 LEU HB2 . . 2.900 2.211 2.121 2.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
333 1 24 LEU H 1 24 LEU HB3 . . 3.600 3.451 3.383 3.564 . 0 0 "[ . 1 . 2 . 3 .]" 1
334 1 24 LEU H 1 24 LEU HG . . 3.300 3.432 3.149 3.504 0.204 29 0 "[ . 1 . 2 . 3 .]" 1
335 1 24 LEU H 1 25 GLY H . . 3.500 2.990 2.804 3.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
336 1 24 LEU H 1 25 GLY HA2 . . 5.200 5.165 5.055 5.234 0.034 9 0 "[ . 1 . 2 . 3 .]" 1
337 1 24 LEU HA 1 24 LEU HG . . 4.400 2.213 2.132 2.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
338 1 24 LEU HA 1 25 GLY H . . 4.400 3.573 3.416 3.628 . 0 0 "[ . 1 . 2 . 3 .]" 1
339 1 24 LEU HB2 1 25 GLY H . . 4.300 2.706 1.998 3.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
340 1 24 LEU HB2 1 28 ALA MB . . 5.400 3.677 3.450 3.863 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 24 LEU HB3 1 25 GLY H . . 4.700 3.081 1.983 3.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 24 LEU HB3 1 25 GLY HA3 . . 4.500 4.506 4.006 4.645 0.145 35 0 "[ . 1 . 2 . 3 .]" 1
343 1 24 LEU HB3 1 28 ALA H . . 6.800 3.899 3.426 4.948 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 24 LEU HB3 1 28 ALA HA . . 5.300 5.129 4.841 5.324 0.024 7 0 "[ . 1 . 2 . 3 .]" 1
345 1 24 LEU HB3 1 28 ALA MB . . 5.300 2.173 2.050 2.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 24 LEU MD1 1 25 GLY H . . 7.100 4.248 3.939 5.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
347 1 24 LEU MD1 1 52 CYS HB3 . . 8.000 5.594 4.746 6.061 . 0 0 "[ . 1 . 2 . 3 .]" 1
348 1 24 LEU MD2 1 25 GLY H . . 8.000 4.530 3.612 4.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 24 LEU HG 1 25 GLY H . . 7.000 4.890 4.406 5.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
350 1 25 GLY H 1 26 CYS H . . 4.200 3.104 2.091 4.345 0.145 20 0 "[ . 1 . 2 . 3 .]" 1
351 1 25 GLY HA2 1 26 CYS H . . 3.500 2.761 2.289 3.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
352 1 25 GLY HA2 1 26 CYS HA . . 6.100 4.689 4.291 5.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
353 1 25 GLY HA2 1 27 ASP H . . 6.000 4.664 4.153 5.187 . 0 0 "[ . 1 . 2 . 3 .]" 1
354 1 25 GLY HA2 1 28 ALA H . . 7.100 5.529 4.536 7.101 0.001 1 0 "[ . 1 . 2 . 3 .]" 1
355 1 25 GLY HA3 1 26 CYS H . . 3.900 3.296 2.441 3.559 . 0 0 "[ . 1 . 2 . 3 .]" 1
356 1 25 GLY HA3 1 27 ASP H . . 6.000 4.134 3.610 4.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
357 1 25 GLY HA3 1 28 ALA H . . 6.700 4.659 3.053 6.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
358 1 26 CYS H 1 26 CYS HB2 . . 3.900 3.505 2.633 3.927 0.027 28 0 "[ . 1 . 2 . 3 .]" 1
359 1 26 CYS H 1 27 ASP H . . 4.000 3.440 2.030 3.913 . 0 0 "[ . 1 . 2 . 3 .]" 1
360 1 26 CYS HA 1 27 ASP H . . 4.800 3.547 3.450 3.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
361 1 26 CYS HA 1 27 ASP HA . . 5.700 4.780 4.580 5.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 26 CYS HA 1 28 ALA H . . 6.700 3.931 3.660 4.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
363 1 26 CYS HA 1 30 HIS H . . 4.600 3.974 3.871 4.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 26 CYS HB2 1 27 ASP H . . 3.800 2.242 2.119 2.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 1 26 CYS HB2 1 27 ASP HA . . 6.800 4.030 3.833 4.220 . 0 0 "[ . 1 . 2 . 3 .]" 1
366 1 26 CYS HB2 1 30 HIS QB . . 5.600 4.071 3.891 4.166 . 0 0 "[ . 1 . 2 . 3 .]" 1
367 1 26 CYS HB3 1 27 ASP H . . 5.000 3.521 3.380 3.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 1 26 CYS HB3 1 30 HIS QB . . 6.600 3.309 3.193 3.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
369 1 27 ASP H 1 28 ALA H . . 3.700 3.003 2.751 3.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
370 1 27 ASP H 1 28 ALA HA . . 6.900 5.450 5.299 5.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
371 1 27 ASP H 1 28 ALA MB . . 5.900 4.475 4.007 4.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 1 27 ASP H 1 29 CYS H . . 7.000 4.506 4.316 5.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
373 1 27 ASP H 1 30 HIS H . . 7.500 4.729 4.501 4.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 1 27 ASP HA 1 28 ALA H . . 4.700 3.236 2.360 3.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
375 1 27 ASP HA 1 29 CYS H . . 5.200 3.739 3.212 4.401 . 0 0 "[ . 1 . 2 . 3 .]" 1
376 1 27 ASP HA 1 30 HIS H . . 3.600 3.297 2.645 3.638 0.038 7 0 "[ . 1 . 2 . 3 .]" 1
377 1 27 ASP HA 1 30 HIS HA . . 7.500 4.775 4.241 5.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
378 1 27 ASP HA 1 30 HIS QB . . 5.800 3.096 2.558 3.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
379 1 27 ASP HA 1 31 GLU HA . . 7.500 2.997 2.324 3.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
380 1 27 ASP HA 1 32 GLY H . . 6.000 4.356 3.509 6.018 0.018 4 0 "[ . 1 . 2 . 3 .]" 1
381 1 27 ASP QB 1 28 ALA H . . 6.100 3.512 2.738 4.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
382 1 27 ASP QB 1 30 HIS H . . 8.500 5.113 4.708 5.398 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 1 28 ALA H 1 28 ALA MB . . 3.300 2.311 2.146 2.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 1 28 ALA H 1 29 CYS H . . 3.500 2.345 1.973 2.924 . 0 0 "[ . 1 . 2 . 3 .]" 1
385 1 28 ALA H 1 30 HIS H . . 6.200 3.660 2.229 4.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
386 1 28 ALA HA 1 29 CYS H . . 5.100 3.523 3.360 3.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
387 1 28 ALA HA 1 29 CYS HA . . 7.400 4.675 4.521 4.766 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 1 28 ALA MB 1 29 CYS H . . 4.500 2.840 2.311 3.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 1 28 ALA MB 1 29 CYS HB3 . . 5.400 5.238 4.633 5.489 0.089 18 0 "[ . 1 . 2 . 3 .]" 1
390 1 29 CYS H 1 30 HIS H . . 3.400 2.054 1.972 2.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
391 1 29 CYS H 1 30 HIS HA . . 6.700 4.764 4.647 4.984 . 0 0 "[ . 1 . 2 . 3 .]" 1
392 1 29 CYS H 1 30 HIS QB . . 5.800 4.022 3.895 4.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
393 1 29 CYS HA 1 30 HIS H . . 7.400 3.591 3.573 3.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 1 29 CYS HA 1 30 HIS HA . . 6.600 4.738 4.695 4.767 . 0 0 "[ . 1 . 2 . 3 .]" 1
395 1 29 CYS HB2 1 30 HIS H . . 5.300 2.497 2.316 2.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
396 1 29 CYS HB3 1 30 HIS H . . 6.800 3.488 3.274 3.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 1 29 CYS HB3 1 37 ILE MD . . 6.600 2.516 2.049 3.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
398 1 30 HIS H 1 30 HIS QB . . 3.100 2.300 2.260 2.357 . 0 0 "[ . 1 . 2 . 3 .]" 1
399 1 30 HIS H 1 31 GLU H . . 6.200 4.432 3.494 4.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
400 1 30 HIS H 1 34 PRO HA . . 7.500 5.919 5.410 6.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
401 1 30 HIS HA 1 31 GLU H . . 3.500 2.658 2.168 3.300 . 0 0 "[ . 1 . 2 . 3 .]" 1
402 1 30 HIS HA 1 31 GLU HA . . 5.000 4.660 4.506 5.028 0.028 15 0 "[ . 1 . 2 . 3 .]" 1
403 1 30 HIS HA 1 31 GLU HB3 . . 5.400 4.866 4.284 5.775 0.375 27 0 "[ . 1 . 2 . 3 .]" 1
404 1 30 HIS HA 1 34 PRO HA . . 6.600 4.461 4.064 4.859 . 0 0 "[ . 1 . 2 . 3 .]" 1
405 1 30 HIS HA 1 37 ILE MD . . 5.200 3.095 2.546 3.575 . 0 0 "[ . 1 . 2 . 3 .]" 1
406 1 30 HIS HA 1 37 ILE QG . . 7.500 3.809 3.452 4.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
407 1 30 HIS QB 1 31 GLU H . . 3.500 2.186 1.775 3.443 . 0 0 "[ . 1 . 2 . 3 .]" 1
408 1 30 HIS QB 1 33 THR H . . 7.500 4.469 3.807 5.179 . 0 0 "[ . 1 . 2 . 3 .]" 1
409 1 30 HIS QB 1 34 PRO HA . . 3.000 2.556 2.213 2.888 . 0 0 "[ . 1 . 2 . 3 .]" 1
410 1 30 HIS QB 1 34 PRO HB2 . . 6.700 3.712 3.295 4.031 . 0 0 "[ . 1 . 2 . 3 .]" 1
411 1 30 HIS QB 1 34 PRO HB3 . . 7.500 2.440 2.283 2.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
412 1 30 HIS QB 1 34 PRO HD3 . . 7.500 3.877 3.735 4.113 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 30 HIS QB 1 34 PRO HG3 . . 4.800 4.260 4.110 4.347 . 0 0 "[ . 1 . 2 . 3 .]" 1
414 1 30 HIS QB 1 35 ALA H . . 4.600 4.306 3.870 4.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
415 1 30 HIS QB 1 37 ILE MD . . 8.000 4.024 3.686 4.234 . 0 0 "[ . 1 . 2 . 3 .]" 1
416 1 30 HIS QB 1 37 ILE QG . . 4.800 4.608 4.261 4.869 0.069 28 0 "[ . 1 . 2 . 3 .]" 1
417 1 31 GLU H 1 31 GLU HB3 . . 3.800 3.294 2.825 3.844 0.044 27 0 "[ . 1 . 2 . 3 .]" 1
418 1 31 GLU H 1 32 GLY H . . 4.200 3.942 2.830 4.269 0.069 28 0 "[ . 1 . 2 . 3 .]" 1
419 1 31 GLU HA 1 32 GLY H . . 3.200 2.328 2.143 2.846 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 1 31 GLU HB2 1 32 GLY H . . 5.300 3.966 2.080 4.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
421 1 31 GLU HB3 1 32 GLY H . . 4.100 4.009 2.522 4.666 0.566 19 2 "[ . 1 . +2 . 3- .]" 1
422 1 32 GLY H 1 33 THR H . . 5.400 3.554 2.643 4.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
423 1 32 GLY H 1 34 PRO HB3 . . 7.200 6.466 5.353 7.279 0.079 18 0 "[ . 1 . 2 . 3 .]" 1
424 1 32 GLY HA2 1 33 THR H . . 3.900 2.959 2.160 3.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 1 32 GLY HA3 1 33 THR H . . 3.100 3.081 2.435 3.553 0.453 6 0 "[ . 1 . 2 . 3 .]" 1
426 1 33 THR H 1 33 THR HB . . 3.700 3.344 2.578 3.806 0.106 6 0 "[ . 1 . 2 . 3 .]" 1
427 1 33 THR H 1 34 PRO HB3 . . 5.100 5.177 4.588 5.586 0.486 9 0 "[ . 1 . 2 . 3 .]" 1
428 1 33 THR H 1 34 PRO HG2 . . 7.500 5.968 5.410 6.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 1 33 THR HB 1 34 PRO HA . . 6.400 5.217 5.081 5.334 . 0 0 "[ . 1 . 2 . 3 .]" 1
430 1 33 THR HB 1 34 PRO HD2 . . 5.500 4.756 4.587 4.961 . 0 0 "[ . 1 . 2 . 3 .]" 1
431 1 33 THR MG 1 34 PRO HB3 . . 6.000 5.492 5.231 5.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
432 1 33 THR MG 1 34 PRO HG2 . . 5.800 4.368 3.868 4.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
433 1 33 THR MG 1 35 ALA MB . . 7.100 3.512 2.406 4.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
434 1 34 PRO HA 1 35 ALA H . . 3.700 2.374 2.156 2.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
435 1 34 PRO HA 1 35 ALA MB . . 6.200 3.951 3.750 4.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
436 1 34 PRO HB2 1 35 ALA H . . 7.400 3.146 2.338 4.442 . 0 0 "[ . 1 . 2 . 3 .]" 1
437 1 34 PRO HB3 1 34 PRO HD3 . . 3.600 2.859 2.800 2.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
438 1 34 PRO HB3 1 34 PRO HG2 . . 2.700 3.022 3.013 3.031 0.331 18 0 "[ . 1 . 2 . 3 .]" 1
439 1 34 PRO HD3 1 34 PRO HG2 . . 3.100 3.017 2.997 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 1 34 PRO HD3 1 34 PRO HG3 . . 2.900 2.357 2.332 2.378 . 0 0 "[ . 1 . 2 . 3 .]" 1
441 1 35 ALA H 1 36 LYS H . . 7.500 3.145 1.976 4.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 1 35 ALA HA 1 36 LYS H . . 3.400 3.089 2.488 3.493 0.093 31 0 "[ . 1 . 2 . 3 .]" 1
443 1 35 ALA HA 1 36 LYS HB3 . . 5.500 4.678 4.542 4.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
444 1 35 ALA HA 1 36 LYS QG . . 7.500 4.687 4.211 5.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
445 1 35 ALA MB 1 36 LYS H . . 3.300 2.280 2.103 2.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
446 1 35 ALA MB 1 36 LYS HB3 . . 6.600 4.114 3.502 4.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
447 1 35 ALA MB 1 36 LYS QG . . 6.900 3.111 2.615 4.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
448 1 36 LYS H 1 36 LYS HB3 . . 3.300 3.029 2.133 3.456 0.156 34 0 "[ . 1 . 2 . 3 .]" 1
449 1 36 LYS H 1 36 LYS QD . . 4.800 4.252 3.877 4.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
450 1 36 LYS H 1 36 LYS QG . . 3.200 2.548 2.060 3.614 0.414 29 0 "[ . 1 . 2 . 3 .]" 1
451 1 36 LYS H 1 37 ILE H . . 6.000 4.342 4.171 4.559 . 0 0 "[ . 1 . 2 . 3 .]" 1
452 1 36 LYS HA 1 36 LYS QD . . 4.600 4.101 3.709 4.332 . 0 0 "[ . 1 . 2 . 3 .]" 1
453 1 36 LYS HA 1 36 LYS QG . . 3.600 3.371 2.987 3.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
454 1 36 LYS HA 1 37 ILE H . . 3.200 2.439 2.063 2.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
455 1 36 LYS HA 1 37 ILE HA . . 6.000 4.570 4.398 4.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
456 1 36 LYS HA 1 37 ILE HB . . 4.900 4.692 4.275 4.924 0.024 18 0 "[ . 1 . 2 . 3 .]" 1
457 1 36 LYS HA 1 37 ILE QG . . 6.800 3.750 3.410 4.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
458 1 36 LYS HB2 1 36 LYS QD . . 3.600 2.495 2.035 3.081 . 0 0 "[ . 1 . 2 . 3 .]" 1
459 1 36 LYS HB2 1 36 LYS HE2 . . 4.000 3.197 2.137 3.831 . 0 0 "[ . 1 . 2 . 3 .]" 1
460 1 36 LYS HB2 1 36 LYS HE3 . . 3.700 2.914 2.217 4.094 0.394 22 0 "[ . 1 . 2 . 3 .]" 1
461 1 36 LYS HB2 1 37 ILE H . . 3.800 2.948 2.109 3.871 0.071 28 0 "[ . 1 . 2 . 3 .]" 1
462 1 36 LYS HB2 1 38 ALA HA . . 6.200 5.342 3.936 5.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
463 1 36 LYS HB3 1 37 ILE H . . 4.900 4.068 3.621 4.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
464 1 36 LYS HE3 1 37 ILE MG . . 8.000 6.512 4.778 8.051 0.051 4 0 "[ . 1 . 2 . 3 .]" 1
465 1 36 LYS QG 1 37 ILE H . . 5.900 3.904 2.889 4.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
466 1 37 ILE H 1 37 ILE HB . . 3.000 2.684 2.320 3.004 0.004 31 0 "[ . 1 . 2 . 3 .]" 1
467 1 37 ILE H 1 37 ILE QG . . 4.300 2.705 2.026 3.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
468 1 37 ILE H 1 38 ALA H . . 7.300 4.118 1.911 4.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
469 1 37 ILE HA 1 37 ILE QG . . 3.300 2.409 2.266 2.543 . 0 0 "[ . 1 . 2 . 3 .]" 1
470 1 37 ILE HA 1 38 ALA H . . 3.200 2.475 2.210 3.415 0.215 18 0 "[ . 1 . 2 . 3 .]" 1
471 1 37 ILE HB 1 38 ALA H . . 4.000 3.821 2.999 4.048 0.048 2 0 "[ . 1 . 2 . 3 .]" 1
472 1 37 ILE HB 1 39 ILE MD . . 8.000 3.579 3.018 4.544 . 0 0 "[ . 1 . 2 . 3 .]" 1
473 1 37 ILE HB 1 39 ILE HG12 . . 6.400 2.967 2.364 4.485 . 0 0 "[ . 1 . 2 . 3 .]" 1
474 1 37 ILE MD 1 38 ALA H . . 8.000 4.881 4.494 5.453 . 0 0 "[ . 1 . 2 . 3 .]" 1
475 1 37 ILE MD 1 39 ILE MD . . 9.000 3.739 3.263 4.303 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 1 37 ILE MD 1 48 ALA MB . . 8.100 4.253 3.470 4.967 . 0 0 "[ . 1 . 2 . 3 .]" 1
477 1 37 ILE QG 1 38 ALA H . . 6.100 4.127 3.799 4.295 . 0 0 "[ . 1 . 2 . 3 .]" 1
478 1 37 ILE QG 1 39 ILE MD . . 8.000 4.865 4.415 5.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
479 1 37 ILE MG 1 38 ALA H . . 5.500 2.477 1.957 4.124 . 0 0 "[ . 1 . 2 . 3 .]" 1
480 1 37 ILE MG 1 38 ALA MB . . 7.900 3.603 3.402 4.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
481 1 37 ILE MG 1 39 ILE HA . . 8.000 3.939 3.395 4.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
482 1 37 ILE MG 1 39 ILE MD . . 6.100 2.571 2.156 3.081 . 0 0 "[ . 1 . 2 . 3 .]" 1
483 1 37 ILE MG 1 39 ILE MG . . 8.700 4.729 4.429 5.262 . 0 0 "[ . 1 . 2 . 3 .]" 1
484 1 37 ILE MG 1 43 SER HB3 . . 8.000 3.737 2.207 5.003 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 1 38 ALA H 1 39 ILE H . . 5.400 3.785 2.500 4.582 . 0 0 "[ . 1 . 2 . 3 .]" 1
486 1 38 ALA H 1 39 ILE MD . . 6.600 4.664 3.817 5.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 1 38 ALA HA 1 39 ILE H . . 2.900 2.382 2.202 2.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
488 1 38 ALA HA 1 39 ILE HA . . 6.600 4.535 4.478 4.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
489 1 38 ALA HA 1 39 ILE HB . . 4.800 4.676 4.106 4.834 0.034 32 0 "[ . 1 . 2 . 3 .]" 1
490 1 38 ALA HA 1 39 ILE MD . . 8.000 5.104 4.328 5.993 . 0 0 "[ . 1 . 2 . 3 .]" 1
491 1 38 ALA HA 1 39 ILE HG12 . . 5.800 4.532 3.756 5.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 1 38 ALA HA 1 39 ILE MG . . 8.000 5.555 5.318 5.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
493 1 38 ALA MB 1 39 ILE H . . 4.700 3.649 2.977 3.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 38 ALA MB 1 39 ILE HA . . 8.000 4.399 4.166 4.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 1 39 ILE H 1 39 ILE HB . . 3.500 2.390 2.169 2.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
496 1 39 ILE H 1 39 ILE HG12 . . 3.600 2.653 2.256 3.763 0.163 13 0 "[ . 1 . 2 . 3 .]" 1
497 1 39 ILE H 1 39 ILE HG13 . . 4.000 3.853 2.778 4.077 0.077 12 0 "[ . 1 . 2 . 3 .]" 1
498 1 39 ILE H 1 40 ASP H . . 5.000 4.485 3.719 4.629 . 0 0 "[ . 1 . 2 . 3 .]" 1
499 1 39 ILE HA 1 39 ILE MD . . 4.400 2.174 2.077 3.627 . 0 0 "[ . 1 . 2 . 3 .]" 1
500 1 39 ILE HA 1 39 ILE HG12 . . 4.100 3.023 2.181 3.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
501 1 39 ILE HA 1 39 ILE HG13 . . 4.000 3.696 2.944 3.819 . 0 0 "[ . 1 . 2 . 3 .]" 1
502 1 39 ILE HA 1 40 ASP H . . 2.800 2.182 2.037 2.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
503 1 39 ILE HA 1 43 SER HB2 . . 5.700 3.609 2.300 4.796 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 1 39 ILE HA 1 44 ALA H . . 6.500 3.483 2.832 5.371 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 1 39 ILE HA 1 44 ALA MB . . 8.000 3.435 2.699 3.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
506 1 39 ILE HA 1 48 ALA MB . . 7.500 4.547 3.427 5.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
507 1 39 ILE HB 1 39 ILE HG12 . . 2.900 2.459 2.322 3.035 0.135 13 0 "[ . 1 . 2 . 3 .]" 1
508 1 39 ILE HB 1 39 ILE HG13 . . 3.000 2.420 2.341 2.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
509 1 39 ILE HB 1 40 ASP H . . 4.500 4.076 3.654 4.532 0.032 25 0 "[ . 1 . 2 . 3 .]" 1
510 1 39 ILE HB 1 40 ASP HA . . 7.300 5.071 4.770 5.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
511 1 39 ILE HB 1 44 ALA MB . . 8.000 4.859 4.314 5.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
512 1 39 ILE MD 1 40 ASP H . . 5.100 3.542 3.051 4.274 . 0 0 "[ . 1 . 2 . 3 .]" 1
513 1 39 ILE MD 1 43 SER HB3 . . 7.500 3.287 2.191 4.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 1 39 ILE MD 1 44 ALA H . . 7.000 3.207 2.296 4.401 . 0 0 "[ . 1 . 2 . 3 .]" 1
515 1 39 ILE MD 1 44 ALA HA . . 8.000 2.911 2.537 3.817 . 0 0 "[ . 1 . 2 . 3 .]" 1
516 1 39 ILE MD 1 44 ALA MB . . 9.000 2.649 2.075 3.473 . 0 0 "[ . 1 . 2 . 3 .]" 1
517 1 39 ILE MD 1 48 ALA HA . . 8.000 4.666 3.669 5.385 . 0 0 "[ . 1 . 2 . 3 .]" 1
518 1 39 ILE MD 1 48 ALA MB . . 5.500 2.524 2.060 3.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
519 1 39 ILE HG12 1 40 ASP H . . 7.400 4.928 3.691 5.219 . 0 0 "[ . 1 . 2 . 3 .]" 1
520 1 39 ILE HG13 1 40 ASP H . . 7.500 5.144 4.595 5.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 1 39 ILE MG 1 40 ASP H . . 5.700 2.428 1.877 3.759 . 0 0 "[ . 1 . 2 . 3 .]" 1
522 1 39 ILE MG 1 40 ASP HA . . 6.200 3.369 2.990 3.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
523 1 39 ILE MG 1 43 SER HB3 . . 8.000 5.183 3.785 6.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
524 1 39 ILE MG 1 44 ALA H . . 5.700 3.845 3.002 4.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 1 39 ILE MG 1 44 ALA HA . . 8.000 3.946 2.757 4.543 . 0 0 "[ . 1 . 2 . 3 .]" 1
526 1 39 ILE MG 1 44 ALA MB . . 7.500 2.283 1.989 2.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
527 1 39 ILE MG 1 48 ALA MB . . 7.200 4.441 3.404 5.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
528 1 40 ASP H 1 42 LYS H . . 6.400 4.607 2.837 6.423 0.023 4 0 "[ . 1 . 2 . 3 .]" 1
529 1 40 ASP H 1 43 SER H . . 5.600 4.325 2.807 5.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 1 40 ASP H 1 43 SER HB2 . . 7.100 4.404 2.426 6.298 . 0 0 "[ . 1 . 2 . 3 .]" 1
531 1 40 ASP H 1 43 SER HB3 . . 5.900 4.848 2.524 5.941 0.041 31 0 "[ . 1 . 2 . 3 .]" 1
532 1 40 ASP H 1 44 ALA H . . 4.700 3.385 2.154 4.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
533 1 40 ASP H 1 44 ALA MB . . 4.100 2.895 1.867 3.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
534 1 40 ASP H 1 48 ALA MB . . 8.000 5.420 4.301 6.240 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 1 40 ASP HA 1 41 LYS H . . 3.700 3.215 2.430 3.548 . 0 0 "[ . 1 . 2 . 3 .]" 1
536 1 40 ASP HA 1 41 LYS QG . . 8.500 5.490 3.943 6.372 . 0 0 "[ . 1 . 2 . 3 .]" 1
537 1 40 ASP HB2 1 41 LYS H . . 4.100 3.222 1.995 3.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 1 40 ASP HB2 1 42 LYS H . . 7.500 5.720 3.157 7.588 0.088 9 0 "[ . 1 . 2 . 3 .]" 1
539 1 40 ASP HB3 1 41 LYS H . . 3.600 2.642 1.965 3.793 0.193 1 0 "[ . 1 . 2 . 3 .]" 1
540 1 40 ASP HB3 1 42 LYS H . . 5.900 4.764 2.514 6.776 0.876 25 2 "[ . 1 . -2 + 3 .]" 1
541 1 41 LYS H 1 41 LYS QG . . 5.100 3.875 2.047 4.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
542 1 41 LYS H 1 42 LYS H . . 4.400 3.246 1.892 4.400 0.000 12 0 "[ . 1 . 2 . 3 .]" 1
543 1 41 LYS H 1 44 ALA MB . . 5.300 4.275 3.625 4.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
544 1 41 LYS HA 1 41 LYS QG . . 3.200 2.390 2.171 2.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
545 1 41 LYS HA 1 42 LYS H . . 3.100 2.835 2.311 3.259 0.159 12 0 "[ . 1 . 2 . 3 .]" 1
546 1 41 LYS HA 1 42 LYS HA . . 7.500 4.577 4.110 4.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
547 1 41 LYS QB 1 42 LYS H . . 8.500 3.192 1.791 4.010 . 0 0 "[ . 1 . 2 . 3 .]" 1
548 1 41 LYS QB 1 44 ALA H . . 8.500 5.831 5.021 6.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
549 1 41 LYS QB 1 44 ALA MB . . 9.000 4.705 4.114 5.802 . 0 0 "[ . 1 . 2 . 3 .]" 1
550 1 41 LYS QG 1 42 LYS H . . 5.900 3.715 1.925 4.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
551 1 42 LYS H 1 42 LYS HD2 . . 5.200 5.033 3.243 6.183 0.983 30 7 "[ . 1 . ** 2 * .- *+ *]" 1
552 1 42 LYS H 1 43 SER H . . 3.800 3.024 2.020 3.894 0.094 35 0 "[ . 1 . 2 . 3 .]" 1
553 1 42 LYS H 1 43 SER HA . . 7.500 5.299 4.412 6.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
554 1 42 LYS H 1 44 ALA H . . 5.800 4.148 2.640 5.395 . 0 0 "[ . 1 . 2 . 3 .]" 1
555 1 42 LYS HA 1 43 SER H . . 5.400 3.471 2.607 3.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
556 1 42 LYS HA 1 44 ALA H . . 7.500 5.112 3.847 5.797 . 0 0 "[ . 1 . 2 . 3 .]" 1
557 1 42 LYS HA 1 45 HIS H . . 5.500 4.142 3.509 4.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
558 1 42 LYS HA 1 45 HIS HB2 . . 4.100 3.728 2.651 4.211 0.111 29 0 "[ . 1 . 2 . 3 .]" 1
559 1 42 LYS HA 1 45 HIS HB3 . . 5.500 4.603 3.617 5.387 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 1 42 LYS QB 1 43 SER H . . 5.000 2.503 1.886 3.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
561 1 42 LYS QB 1 44 ALA H . . 8.500 4.815 4.013 6.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
562 1 42 LYS QG 1 43 SER H . . 8.500 3.777 2.611 4.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
563 1 43 SER H 1 43 SER HB2 . . 4.100 2.642 2.265 3.359 . 0 0 "[ . 1 . 2 . 3 .]" 1
564 1 43 SER H 1 43 SER HB3 . . 4.400 3.227 2.448 3.931 . 0 0 "[ . 1 . 2 . 3 .]" 1
565 1 43 SER H 1 44 ALA H . . 3.400 2.778 2.202 3.464 0.064 20 0 "[ . 1 . 2 . 3 .]" 1
566 1 43 SER H 1 44 ALA HA . . 7.500 5.327 4.713 5.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
567 1 43 SER H 1 45 HIS H . . 7.500 3.836 2.376 4.889 . 0 0 "[ . 1 . 2 . 3 .]" 1
568 1 43 SER H 1 48 ALA MB . . 8.000 4.788 4.436 5.385 . 0 0 "[ . 1 . 2 . 3 .]" 1
569 1 43 SER HA 1 44 ALA H . . 4.900 3.518 2.418 3.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
570 1 43 SER HA 1 46 LYS H . . 5.200 3.711 3.316 4.119 . 0 0 "[ . 1 . 2 . 3 .]" 1
571 1 43 SER HA 1 46 LYS HB2 . . 5.900 3.807 2.525 5.932 0.032 20 0 "[ . 1 . 2 . 3 .]" 1
572 1 43 SER HA 1 47 ASP H . . 5.600 3.874 2.998 5.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
573 1 43 SER HA 1 48 ALA H . . 5.200 4.138 3.244 5.239 0.039 19 0 "[ . 1 . 2 . 3 .]" 1
574 1 43 SER HA 1 48 ALA MB . . 7.900 3.465 2.387 4.081 . 0 0 "[ . 1 . 2 . 3 .]" 1
575 1 43 SER HB2 1 44 ALA H . . 5.700 2.946 2.038 4.383 . 0 0 "[ . 1 . 2 . 3 .]" 1
576 1 43 SER HB2 1 48 ALA H . . 7.500 5.767 4.478 6.965 . 0 0 "[ . 1 . 2 . 3 .]" 1
577 1 43 SER HB2 1 48 ALA MB . . 6.400 3.731 2.647 4.350 . 0 0 "[ . 1 . 2 . 3 .]" 1
578 1 43 SER HB3 1 44 ALA H . . 5.500 3.029 2.045 4.477 . 0 0 "[ . 1 . 2 . 3 .]" 1
579 1 43 SER HB3 1 44 ALA HA . . 6.200 4.585 3.823 5.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
580 1 43 SER HB3 1 46 LYS H . . 7.500 5.448 5.011 6.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
581 1 43 SER HB3 1 48 ALA H . . 5.600 5.000 3.796 5.663 0.063 33 0 "[ . 1 . 2 . 3 .]" 1
582 1 43 SER HB3 1 48 ALA MB . . 5.100 3.001 2.268 3.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
583 1 44 ALA H 1 45 HIS H . . 4.000 2.783 1.990 3.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
584 1 44 ALA H 1 48 ALA MB . . 4.300 3.192 2.363 3.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
585 1 44 ALA HA 1 45 HIS H . . 3.500 3.452 3.346 3.533 0.033 11 0 "[ . 1 . 2 . 3 .]" 1
586 1 44 ALA HA 1 48 ALA MB . . 3.300 2.074 1.985 2.375 . 0 0 "[ . 1 . 2 . 3 .]" 1
587 1 44 ALA HA 1 49 CYS HA . . 5.100 4.598 4.015 5.152 0.052 23 0 "[ . 1 . 2 . 3 .]" 1
588 1 44 ALA HA 1 50 LYS QG . . 6.400 5.599 4.739 6.534 0.134 10 0 "[ . 1 . 2 . 3 .]" 1
589 1 44 ALA MB 1 45 HIS H . . 3.700 2.467 2.125 3.094 . 0 0 "[ . 1 . 2 . 3 .]" 1
590 1 44 ALA MB 1 45 HIS HA . . 7.100 3.790 3.593 4.155 . 0 0 "[ . 1 . 2 . 3 .]" 1
591 1 44 ALA MB 1 45 HIS HB2 . . 7.300 3.393 2.952 4.114 . 0 0 "[ . 1 . 2 . 3 .]" 1
592 1 44 ALA MB 1 45 HIS HB3 . . 8.000 4.669 4.380 5.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
593 1 44 ALA MB 1 48 ALA MB . . 9.000 3.455 3.288 3.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
594 1 44 ALA MB 1 50 LYS H . . 8.000 4.522 3.958 5.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
595 1 45 HIS H 1 45 HIS HB2 . . 3.000 2.215 2.109 2.383 . 0 0 "[ . 1 . 2 . 3 .]" 1
596 1 45 HIS H 1 45 HIS HB3 . . 3.500 3.451 3.327 3.589 0.089 15 0 "[ . 1 . 2 . 3 .]" 1
597 1 45 HIS H 1 46 LYS H . . 3.800 2.452 2.003 2.758 . 0 0 "[ . 1 . 2 . 3 .]" 1
598 1 45 HIS H 1 48 ALA MB . . 4.700 4.027 3.954 4.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
599 1 45 HIS HA 1 46 LYS H . . 4.500 3.182 2.932 3.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
600 1 45 HIS HA 1 50 LYS H . . 4.600 3.259 2.537 3.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
601 1 45 HIS HA 1 50 LYS HB2 . . 5.500 3.649 2.047 5.083 . 0 0 "[ . 1 . 2 . 3 .]" 1
602 1 45 HIS HA 1 50 LYS HB3 . . 5.200 4.220 2.719 5.256 0.056 16 0 "[ . 1 . 2 . 3 .]" 1
603 1 45 HIS HB2 1 46 LYS H . . 3.800 3.841 3.357 3.961 0.161 5 0 "[ . 1 . 2 . 3 .]" 1
604 1 45 HIS HB2 1 46 LYS HB2 . . 5.600 4.863 4.081 5.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
605 1 45 HIS HB3 1 46 LYS H . . 4.200 4.152 3.987 4.249 0.049 10 0 "[ . 1 . 2 . 3 .]" 1
606 1 45 HIS HB3 1 46 LYS HB2 . . 5.300 4.858 4.051 5.377 0.077 15 0 "[ . 1 . 2 . 3 .]" 1
607 1 46 LYS H 1 46 LYS HB2 . . 3.400 2.991 2.339 3.442 0.042 5 0 "[ . 1 . 2 . 3 .]" 1
608 1 46 LYS H 1 46 LYS HB3 . . 4.400 2.756 2.342 4.068 . 0 0 "[ . 1 . 2 . 3 .]" 1
609 1 46 LYS H 1 46 LYS HG2 . . 5.000 4.468 4.018 4.777 . 0 0 "[ . 1 . 2 . 3 .]" 1
610 1 46 LYS H 1 46 LYS HG3 . . 4.200 4.579 3.170 4.935 0.735 14 15 "[ .*** * *+. -*** . * ** **]" 1
611 1 46 LYS H 1 47 ASP H . . 4.300 2.922 2.022 4.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
612 1 46 LYS H 1 48 ALA H . . 5.400 3.314 2.744 3.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
613 1 46 LYS H 1 48 ALA MB . . 5.200 3.627 2.643 3.979 . 0 0 "[ . 1 . 2 . 3 .]" 1
614 1 46 LYS H 1 49 CYS HA . . 6.500 6.593 6.361 6.721 0.221 27 0 "[ . 1 . 2 . 3 .]" 1
615 1 46 LYS H 1 50 LYS H . . 6.200 4.442 4.016 4.993 . 0 0 "[ . 1 . 2 . 3 .]" 1
616 1 46 LYS H 1 50 LYS HB3 . . 7.400 5.883 4.055 6.774 . 0 0 "[ . 1 . 2 . 3 .]" 1
617 1 46 LYS HA 1 46 LYS HG2 . . 3.600 3.048 2.265 3.879 0.279 12 0 "[ . 1 . 2 . 3 .]" 1
618 1 46 LYS HA 1 47 ASP H . . 4.600 3.403 2.246 3.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
619 1 46 LYS HA 1 47 ASP HA . . 6.500 4.580 4.308 4.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
620 1 46 LYS HA 1 50 LYS H . . 7.500 5.837 4.564 6.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
621 1 46 LYS HB2 1 46 LYS HD2 . . 4.300 2.942 2.267 4.176 . 0 0 "[ . 1 . 2 . 3 .]" 1
622 1 46 LYS HB2 1 46 LYS HG2 . . 3.100 2.891 2.393 3.054 . 0 0 "[ . 1 . 2 . 3 .]" 1
623 1 46 LYS HB2 1 47 ASP H . . 3.500 3.449 1.995 3.614 0.114 17 0 "[ . 1 . 2 . 3 .]" 1
624 1 46 LYS HB3 1 47 ASP H . . 3.100 2.106 1.963 3.129 0.029 15 0 "[ . 1 . 2 . 3 .]" 1
625 1 46 LYS HB3 1 48 ALA H . . 7.500 3.797 2.926 5.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
626 1 46 LYS HB3 1 50 LYS H . . 7.300 6.820 6.248 7.334 0.034 18 0 "[ . 1 . 2 . 3 .]" 1
627 1 46 LYS HD2 1 47 ASP H . . 7.200 4.496 2.823 5.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
628 1 46 LYS HG2 1 47 ASP H . . 4.400 3.057 2.006 5.041 0.641 15 1 "[ . 1 + 2 . 3 .]" 1
629 1 47 ASP H 1 47 ASP HB2 . . 3.800 2.955 2.451 3.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
630 1 47 ASP H 1 47 ASP HB3 . . 3.700 3.380 2.225 3.847 0.147 10 0 "[ . 1 . 2 . 3 .]" 1
631 1 47 ASP H 1 48 ALA H . . 3.300 2.399 1.893 3.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
632 1 47 ASP H 1 48 ALA MB . . 7.300 3.846 3.177 5.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
633 1 47 ASP H 1 49 CYS HA . . 7.500 7.169 6.388 7.598 0.098 31 0 "[ . 1 . 2 . 3 .]" 1
634 1 47 ASP HA 1 48 ALA H . . 5.300 3.286 2.324 3.582 . 0 0 "[ . 1 . 2 . 3 .]" 1
635 1 47 ASP HA 1 51 THR MG . . 6.500 2.993 2.071 4.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
636 1 47 ASP HB2 1 48 ALA H . . 5.500 3.556 2.233 4.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
637 1 47 ASP HB2 1 51 THR MG . . 6.800 4.591 2.874 6.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
638 1 47 ASP HB3 1 48 ALA H . . 4.600 3.994 2.436 4.680 0.080 21 0 "[ . 1 . 2 . 3 .]" 1
639 1 48 ALA HA 1 49 CYS HA . . 6.400 4.502 4.098 4.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
640 1 48 ALA MB 1 49 CYS HA . . 4.900 3.945 3.529 4.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
641 1 48 ALA MB 1 49 CYS QB . . 8.000 3.918 2.867 4.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
642 1 48 ALA MB 1 50 LYS H . . 7.700 4.581 4.127 5.036 . 0 0 "[ . 1 . 2 . 3 .]" 1
643 1 49 CYS H 1 50 LYS H . . 6.400 2.778 2.454 3.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
644 1 49 CYS HA 1 50 LYS H . . 3.800 3.639 3.523 3.709 . 0 0 "[ . 1 . 2 . 3 .]" 1
645 1 49 CYS HA 1 50 LYS QG . . 7.500 5.374 5.037 6.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
646 1 49 CYS HA 1 51 THR H . . 6.300 4.151 3.633 4.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
647 1 49 CYS QB 1 51 THR H . . 5.100 4.690 4.223 5.334 0.234 31 0 "[ . 1 . 2 . 3 .]" 1
648 1 50 LYS H 1 50 LYS HB2 . . 3.700 2.796 1.911 3.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 1 50 LYS H 1 50 LYS HB3 . . 3.800 3.184 2.324 3.628 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 1 50 LYS H 1 50 LYS HD2 . . 5.100 4.613 3.969 5.134 0.034 31 0 "[ . 1 . 2 . 3 .]" 1
651 1 50 LYS H 1 50 LYS HD3 . . 4.900 4.599 3.620 5.278 0.378 17 0 "[ . 1 . 2 . 3 .]" 1
652 1 50 LYS H 1 50 LYS QG . . 3.000 2.381 1.894 3.466 0.466 10 0 "[ . 1 . 2 . 3 .]" 1
653 1 50 LYS H 1 51 THR H . . 4.800 3.603 3.032 3.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
654 1 50 LYS HA 1 50 LYS HD3 . . 4.800 4.386 2.193 5.513 0.713 6 7 "[ *+- 1 . 2* *. * *3 .]" 1
655 1 50 LYS HA 1 51 THR H . . 6.300 2.967 2.461 3.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
656 1 50 LYS HA 1 54 LYS QG . . 7.500 4.726 3.074 6.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
657 1 50 LYS HB2 1 50 LYS HD2 . . 3.300 3.306 2.178 4.186 0.886 20 7 "[ . *1 . + - . * 3 ***]" 1
658 1 50 LYS HB2 1 51 THR H . . 5.000 4.004 2.505 4.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
659 1 50 LYS HB3 1 50 LYS HD2 . . 3.800 3.190 2.287 4.183 0.383 2 0 "[ . 1 . 2 . 3 .]" 1
660 1 50 LYS HB3 1 51 THR H . . 4.100 4.176 2.703 4.740 0.640 2 11 "[ + **** 1* * . 2- . * *3 * .]" 1
661 1 51 THR H 1 51 THR HB . . 3.600 2.994 2.306 3.623 0.023 3 0 "[ . 1 . 2 . 3 .]" 1
662 1 51 THR H 1 52 CYS H . . 4.300 2.585 2.262 3.124 . 0 0 "[ . 1 . 2 . 3 .]" 1
663 1 51 THR HA 1 52 CYS H . . 5.200 3.620 3.550 3.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
664 1 51 THR HA 1 52 CYS HB3 . . 6.600 5.874 5.651 6.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
665 1 51 THR HA 1 54 LYS H . . 4.900 4.152 3.053 4.967 0.067 3 0 "[ . 1 . 2 . 3 .]" 1
666 1 51 THR HA 1 54 LYS QD . . 5.600 3.718 2.325 5.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
667 1 51 THR HA 1 54 LYS QG . . 5.900 3.583 2.220 5.302 . 0 0 "[ . 1 . 2 . 3 .]" 1
668 1 51 THR HB 1 52 CYS H . . 4.300 2.876 2.030 3.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
669 1 51 THR MG 1 52 CYS H . . 6.300 2.818 1.812 4.071 . 0 0 "[ . 1 . 2 . 3 .]" 1
670 1 51 THR MG 1 54 LYS QD . . 7.700 4.860 3.737 6.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
671 1 52 CYS H 1 52 CYS HB2 . . 4.000 2.547 2.218 2.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
672 1 52 CYS H 1 52 CYS HB3 . . 4.400 2.463 2.278 3.512 . 0 0 "[ . 1 . 2 . 3 .]" 1
673 1 52 CYS H 1 53 HIS H . . 5.000 3.645 2.711 4.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
674 1 52 CYS HA 1 53 HIS H . . 6.100 2.772 2.107 3.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
675 1 52 CYS HA 1 54 LYS H . . 6.000 3.983 3.175 4.830 . 0 0 "[ . 1 . 2 . 3 .]" 1
676 1 52 CYS HB2 1 53 HIS H . . 5.700 4.204 3.531 4.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
677 1 53 HIS H 1 55 SER H . . 6.900 4.281 2.544 5.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
678 1 53 HIS QB 1 54 LYS H . . 3.500 2.749 2.156 3.649 0.149 19 0 "[ . 1 . 2 . 3 .]" 1
679 1 53 HIS QB 1 54 LYS QG . . 3.900 3.387 2.804 3.877 . 0 0 "[ . 1 . 2 . 3 .]" 1
680 1 54 LYS H 1 54 LYS HB2 . . 3.700 2.688 2.203 3.674 . 0 0 "[ . 1 . 2 . 3 .]" 1
681 1 54 LYS H 1 54 LYS HB3 . . 3.400 3.442 2.738 3.695 0.295 5 0 "[ . 1 . 2 . 3 .]" 1
682 1 54 LYS H 1 54 LYS QD . . 4.700 3.895 2.710 4.300 . 0 0 "[ . 1 . 2 . 3 .]" 1
683 1 54 LYS H 1 54 LYS QG . . 4.000 2.251 1.931 2.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
684 1 54 LYS H 1 55 SER H . . 4.000 3.362 2.370 3.913 . 0 0 "[ . 1 . 2 . 3 .]" 1
685 1 54 LYS H 1 56 ASN H . . 6.300 5.056 4.061 6.387 0.087 13 0 "[ . 1 . 2 . 3 .]" 1
686 1 54 LYS HA 1 54 LYS QD . . 3.900 4.022 2.335 4.319 0.419 34 0 "[ . 1 . 2 . 3 .]" 1
687 1 54 LYS HA 1 54 LYS QG . . 3.000 2.560 2.169 3.295 0.295 31 0 "[ . 1 . 2 . 3 .]" 1
688 1 54 LYS HA 1 55 SER H . . 4.900 2.834 2.257 3.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
689 1 54 LYS HA 1 56 ASN H . . 6.100 4.247 3.188 5.887 . 0 0 "[ . 1 . 2 . 3 .]" 1
690 1 54 LYS HB2 1 54 LYS QG . . 2.600 2.408 2.138 2.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
691 1 54 LYS HB3 1 55 SER H . . 4.100 4.172 3.013 4.687 0.587 35 3 "[ . -1 . 2 . 3 *+]" 1
692 1 54 LYS HB3 1 56 ASN H . . 7.500 6.015 4.898 7.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
693 1 54 LYS QG 1 55 SER H . . 7.100 4.272 3.549 4.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
694 1 55 SER H 1 55 SER HB3 . . 3.900 3.056 2.411 3.962 0.062 33 0 "[ . 1 . 2 . 3 .]" 1
695 1 55 SER H 1 56 ASN HA . . 6.200 4.743 4.213 5.742 . 0 0 "[ . 1 . 2 . 3 .]" 1
696 1 55 SER H 1 56 ASN QB . . 6.100 4.297 3.489 5.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
697 1 55 SER H 1 56 ASN HD21 . . 7.500 5.937 3.160 7.513 0.013 5 0 "[ . 1 . 2 . 3 .]" 1
698 1 55 SER HA 1 56 ASN H . . 4.600 3.367 2.452 3.629 . 0 0 "[ . 1 . 2 . 3 .]" 1
699 1 55 SER HB3 1 56 ASN H . . 4.800 3.283 2.098 4.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
700 1 55 SER HB3 1 56 ASN QB . . 7.500 4.283 3.477 5.962 . 0 0 "[ . 1 . 2 . 3 .]" 1
701 1 55 SER HB3 1 56 ASN HD21 . . 7.500 5.727 2.801 7.501 0.001 33 0 "[ . 1 . 2 . 3 .]" 1
702 1 56 ASN H 1 56 ASN QB . . 3.600 2.658 2.060 3.392 . 0 0 "[ . 1 . 2 . 3 .]" 1
703 1 56 ASN H 1 56 ASN HD21 . . 4.900 4.433 2.788 4.976 0.076 21 0 "[ . 1 . 2 . 3 .]" 1
704 1 56 ASN H 1 57 ASN H . . 4.700 3.180 1.900 4.742 0.042 16 0 "[ . 1 . 2 . 3 .]" 1
705 1 56 ASN H 1 58 GLY H . . 7.500 6.484 4.367 7.523 0.023 19 0 "[ . 1 . 2 . 3 .]" 1
706 1 56 ASN HA 1 57 ASN H . . 4.100 3.176 2.136 3.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
707 1 56 ASN QB 1 57 ASN H . . 3.400 2.431 1.922 3.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
708 1 56 ASN QB 1 58 GLY H . . 6.600 5.681 2.933 6.676 0.076 28 0 "[ . 1 . 2 . 3 .]" 1
709 1 56 ASN HD21 1 57 ASN H . . 7.500 4.253 2.113 5.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
710 1 57 ASN H 1 57 ASN HB3 . . 4.200 3.338 2.132 4.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
711 1 57 ASN H 1 58 GLY H . . 4.500 4.217 1.975 4.562 0.062 25 0 "[ . 1 . 2 . 3 .]" 1
712 1 57 ASN HA 1 58 GLY H . . 4.700 2.553 2.108 3.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
713 1 57 ASN HB3 1 58 GLY H . . 6.800 3.484 1.995 4.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
714 1 59 PRO HA 1 60 THR H . . 3.300 2.658 2.048 3.465 0.165 4 0 "[ . 1 . 2 . 3 .]" 1
715 1 59 PRO HA 1 61 LYS H . . 4.400 3.420 2.828 4.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
716 1 59 PRO HA 1 62 CYS QB . . 7.500 7.469 6.777 7.597 0.097 31 0 "[ . 1 . 2 . 3 .]" 1
717 1 59 PRO HA 1 64 GLY HA2 . . 5.100 3.669 2.357 5.563 0.463 31 0 "[ . 1 . 2 . 3 .]" 1
718 1 59 PRO HB2 1 60 THR H . . 5.100 3.858 1.880 4.443 . 0 0 "[ . 1 . 2 . 3 .]" 1
719 1 59 PRO HB2 1 64 GLY H . . 5.900 4.472 2.782 5.173 . 0 0 "[ . 1 . 2 . 3 .]" 1
720 1 59 PRO HB2 1 64 GLY HA2 . . 3.900 3.224 2.105 4.688 0.788 17 3 "[ - .* 1 . + 2 . 3 .]" 1
721 1 59 PRO HB2 1 64 GLY HA3 . . 4.400 2.520 2.196 3.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
722 1 59 PRO HB2 1 65 CYS H . . 7.100 4.005 2.481 5.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
723 1 59 PRO HB3 1 60 THR H . . 4.300 4.309 3.378 4.619 0.319 7 0 "[ . 1 . 2 . 3 .]" 1
724 1 59 PRO HB3 1 64 GLY HA2 . . 3.800 3.180 2.309 4.180 0.380 31 0 "[ . 1 . 2 . 3 .]" 1
725 1 59 PRO HB3 1 64 GLY HA3 . . 4.900 3.211 2.320 4.780 . 0 0 "[ . 1 . 2 . 3 .]" 1
726 1 59 PRO QD 1 60 THR H . . 8.500 4.033 2.148 4.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
727 1 59 PRO HG2 1 64 GLY H . . 7.500 6.552 4.577 7.581 0.081 35 0 "[ . 1 . 2 . 3 .]" 1
728 1 60 THR H 1 61 LYS H . . 3.600 2.588 1.968 3.647 0.047 18 0 "[ . 1 . 2 . 3 .]" 1
729 1 60 THR H 1 61 LYS QB . . 6.700 4.472 3.713 5.744 . 0 0 "[ . 1 . 2 . 3 .]" 1
730 1 60 THR HA 1 61 LYS H . . 5.000 3.195 2.453 3.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
731 1 60 THR HA 1 64 GLY HA3 . . 6.300 4.946 3.526 6.050 . 0 0 "[ . 1 . 2 . 3 .]" 1
732 1 60 THR HB 1 61 LYS H . . 5.900 4.051 2.367 4.674 . 0 0 "[ . 1 . 2 . 3 .]" 1
733 1 60 THR HB 1 64 GLY HA3 . . 6.200 6.539 5.624 6.850 0.650 12 7 "[ . *1 + * -2 * 3 **.]" 1
734 1 61 LYS H 1 61 LYS QG . . 3.200 2.216 1.823 2.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
735 1 61 LYS H 1 62 CYS H . . 6.000 3.367 2.087 4.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
736 1 61 LYS H 1 64 GLY H . . 6.300 5.061 2.959 6.304 0.004 19 0 "[ . 1 . 2 . 3 .]" 1
737 1 61 LYS H 1 64 GLY HA2 . . 6.600 5.205 4.118 6.276 . 0 0 "[ . 1 . 2 . 3 .]" 1
738 1 61 LYS HA 1 61 LYS QG . . 3.300 3.198 2.735 3.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
739 1 61 LYS HA 1 62 CYS H . . 3.400 2.824 2.155 3.493 0.093 16 0 "[ . 1 . 2 . 3 .]" 1
740 1 61 LYS HA 1 62 CYS QB . . 6.200 4.265 3.577 4.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
741 1 61 LYS QB 1 61 LYS QG . . 2.400 2.075 1.954 2.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
742 1 61 LYS QB 1 62 CYS H . . 4.300 3.221 1.844 4.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
743 1 61 LYS QB 1 62 CYS QB . . 6.500 4.140 2.558 4.932 . 0 0 "[ . 1 . 2 . 3 .]" 1
744 1 61 LYS QB 1 63 GLY H . . 7.500 4.672 3.294 6.738 . 0 0 "[ . 1 . 2 . 3 .]" 1
745 1 61 LYS QB 1 64 GLY H . . 6.800 5.704 3.348 6.875 0.075 31 0 "[ . 1 . 2 . 3 .]" 1
746 1 61 LYS QB 1 64 GLY HA2 . . 6.200 6.192 4.742 7.076 0.876 30 5 "[ * . 1 . - * . +* .]" 1
747 1 61 LYS QB 1 64 GLY HA3 . . 7.500 5.742 3.876 6.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
748 1 61 LYS QG 1 62 CYS H . . 5.300 3.337 1.811 4.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
749 1 61 LYS QG 1 62 CYS HA . . 5.700 4.826 4.022 5.999 0.299 2 0 "[ . 1 . 2 . 3 .]" 1
750 1 61 LYS QG 1 63 GLY H . . 6.800 3.983 2.414 5.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
751 1 61 LYS QG 1 64 GLY H . . 5.000 4.377 2.256 5.328 0.328 6 0 "[ . 1 . 2 . 3 .]" 1
752 1 62 CYS H 1 63 GLY H . . 5.800 3.529 2.273 4.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
753 1 62 CYS H 1 64 GLY H . . 5.800 4.613 2.931 5.837 0.037 17 0 "[ . 1 . 2 . 3 .]" 1
754 1 62 CYS HA 1 63 GLY H . . 3.900 3.265 2.087 3.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
755 1 62 CYS HA 1 63 GLY HA2 . . 7.200 4.751 4.377 5.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
756 1 62 CYS HA 1 63 GLY HA3 . . 6.100 5.166 4.442 5.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
757 1 62 CYS QB 1 63 GLY H . . 4.900 2.548 1.981 3.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
758 1 62 CYS QB 1 63 GLY HA3 . . 7.300 4.367 3.918 4.871 . 0 0 "[ . 1 . 2 . 3 .]" 1
759 1 62 CYS QB 1 64 GLY H . . 7.500 4.966 4.312 5.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
760 1 62 CYS QB 1 65 CYS H . . 7.500 6.411 4.921 7.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
761 1 63 GLY H 1 64 GLY H . . 4.600 3.448 2.286 4.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
762 1 63 GLY HA2 1 64 GLY H . . 5.100 2.879 2.196 3.619 . 0 0 "[ . 1 . 2 . 3 .]" 1
763 1 63 GLY HA2 1 65 CYS H . . 6.300 4.434 3.180 5.350 . 0 0 "[ . 1 . 2 . 3 .]" 1
764 1 63 GLY HA2 1 66 HIS H . . 6.200 3.975 3.326 5.040 . 0 0 "[ . 1 . 2 . 3 .]" 1
765 1 63 GLY HA2 1 66 HIS HB2 . . 5.500 3.344 2.299 4.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
766 1 63 GLY HA3 1 64 GLY H . . 4.300 3.215 2.291 3.579 . 0 0 "[ . 1 . 2 . 3 .]" 1
767 1 63 GLY HA3 1 65 CYS H . . 7.500 5.337 4.364 6.404 . 0 0 "[ . 1 . 2 . 3 .]" 1
768 1 63 GLY HA3 1 66 HIS HB2 . . 7.500 4.863 3.173 6.050 . 0 0 "[ . 1 . 2 . 3 .]" 1
769 1 64 GLY H 1 65 CYS H . . 3.600 2.811 2.143 3.756 0.156 22 0 "[ . 1 . 2 . 3 .]" 1
770 1 64 GLY H 1 66 HIS H . . 5.800 3.613 2.569 5.084 . 0 0 "[ . 1 . 2 . 3 .]" 1
771 1 64 GLY HA2 1 65 CYS H . . 4.300 3.484 2.634 3.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
772 1 64 GLY HA3 1 65 CYS H . . 4.600 2.661 2.328 3.521 . 0 0 "[ . 1 . 2 . 3 .]" 1
773 1 65 CYS H 1 65 CYS HB2 . . 3.600 2.782 2.263 4.169 0.569 20 2 "[ . 1 . + . - .]" 1
774 1 65 CYS H 1 66 HIS H . . 3.000 2.434 1.960 3.039 0.039 29 0 "[ . 1 . 2 . 3 .]" 1
775 1 65 CYS H 1 66 HIS HB2 . . 4.800 4.427 3.775 4.816 0.016 21 0 "[ . 1 . 2 . 3 .]" 1
776 1 65 CYS HA 1 66 HIS H . . 7.500 3.508 3.041 3.601 . 0 0 "[ . 1 . 2 . 3 .]" 1
777 1 65 CYS HB2 1 66 HIS H . . 3.700 2.959 2.088 4.572 0.872 23 3 "[ - . 1* . 2 + . 3 .]" 1
778 1 66 HIS H 1 66 HIS HB2 . . 4.400 2.442 2.320 2.810 . 0 0 "[ . 1 . 2 . 3 .]" 1
779 1 66 HIS H 1 67 ILE H . . 6.500 4.331 2.951 4.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
780 1 66 HIS HA 1 67 ILE H . . 3.200 2.241 2.147 2.529 . 0 0 "[ . 1 . 2 . 3 .]" 1
781 1 66 HIS HA 1 67 ILE HA . . 6.400 4.498 4.422 4.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
782 1 66 HIS HA 1 67 ILE HB . . 5.300 4.656 4.357 4.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
783 1 66 HIS HA 1 67 ILE HG13 . . 7.500 5.088 3.516 6.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
784 1 66 HIS HB2 1 67 ILE H . . 6.600 4.349 3.744 4.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
785 1 66 HIS HB3 1 67 ILE H . . 5.300 3.596 2.693 4.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
786 1 67 ILE H 1 67 ILE HB . . 2.900 2.521 2.364 2.786 . 0 0 "[ . 1 . 2 . 3 .]" 1
787 1 67 ILE H 1 67 ILE HG12 . . 4.600 3.105 2.114 4.575 . 0 0 "[ . 1 . 2 . 3 .]" 1
788 1 67 ILE H 1 67 ILE HG13 . . 4.000 3.356 2.142 4.385 0.385 33 0 "[ . 1 . 2 . 3 .]" 1
789 1 67 ILE H 1 68 LYS H . . 4.400 4.126 3.583 4.477 0.077 4 0 "[ . 1 . 2 . 3 .]" 1
790 1 67 ILE HA 1 68 LYS H . . 3.000 2.277 2.090 2.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
791 1 67 ILE HB 1 68 LYS H . . 4.900 4.413 3.625 4.668 . 0 0 "[ . 1 . 2 . 3 .]" 1
792 1 67 ILE HB 1 68 LYS HA . . 6.800 5.479 4.830 6.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
793 1 67 ILE MD 1 68 LYS H . . 8.000 4.692 3.694 5.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
794 1 67 ILE QG 1 68 LYS H . . 6.200 4.555 3.791 4.976 . 0 0 "[ . 1 . 2 . 3 .]" 1
795 1 67 ILE QG 1 68 LYS HB2 . . 8.500 6.189 3.805 7.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
796 1 68 LYS H 1 68 LYS HB2 . . 4.200 3.316 2.135 3.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
797 1 68 LYS H 1 68 LYS HG3 . . 5.500 4.508 2.286 5.329 . 0 0 "[ . 1 . 2 . 3 .]" 1
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