NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
640297 |
6oqk   |
30606 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6oqk
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 1309
_Distance_constraint_stats_list.Viol_count 2298
_Distance_constraint_stats_list.Viol_total 10096.359
_Distance_constraint_stats_list.Viol_max 3.938
_Distance_constraint_stats_list.Viol_rms 0.2934
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0771
_Distance_constraint_stats_list.Viol_average_violations_only 0.4394
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 VAL 0.000 0.000 . 0 "[ . 1]"
1 3 GLU 1.620 0.397 4 0 "[ . 1]"
1 4 PHE 3.100 0.397 4 0 "[ . 1]"
1 5 SER 7.756 1.044 7 3 "[ * . + -]"
1 6 GLU 7.654 1.044 7 4 "[ * . +* *]"
1 7 GLU 12.452 1.152 10 10 [******-**+]
1 8 CYS 134.468 3.807 2 10 [*+****-***]
1 9 MET 30.671 2.431 4 10 [***+*-****]
1 10 HIS 7.578 2.082 1 5 "[+-* .* * 1]"
1 11 GLY 1.034 0.117 1 0 "[ . 1]"
1 12 SER 1.034 0.117 1 0 "[ . 1]"
1 13 GLY 2.160 0.385 3 0 "[ . 1]"
1 14 GLU 0.000 0.000 . 0 "[ . 1]"
1 15 ASN 8.978 2.082 1 5 "[+-* .* * 1]"
1 16 TYR 26.324 3.548 3 10 [**+*******]
1 17 ASP 2.685 0.390 3 0 "[ . 1]"
1 18 GLY 2.668 0.390 3 0 "[ . 1]"
1 19 LYS 4.049 0.657 9 4 "[ *. - +*]"
1 20 ILE 9.011 0.741 1 2 "[+ - . 1]"
1 21 SER 3.503 0.900 5 1 "[ + 1]"
1 22 LYS 12.385 0.959 5 9 "[***-+*** *]"
1 23 THR 29.442 1.439 2 10 [*+-*******]
1 24 MET 45.022 2.810 4 10 [***+**-***]
1 25 SER 15.351 1.439 2 7 "[ +***** -]"
1 26 GLY 18.956 0.894 6 10 [*-***+****]
1 27 LEU 12.820 0.904 2 5 "[ +-*.** 1]"
1 28 GLU 22.398 1.705 8 10 [*******+**]
1 29 CYS 15.096 0.915 2 10 [*+********]
1 30 GLN 23.240 2.057 3 10 [**+-******]
1 31 ALA 7.649 0.675 5 4 "[* +* - 1]"
1 32 TRP 39.770 1.372 4 10 [***+*****-]
1 33 ASP 2.069 0.440 10 0 "[ . 1]"
1 34 SER 11.178 1.721 4 6 "[- +*** *]"
1 35 GLN 41.954 2.011 6 10 [-****+****]
1 36 SER 36.264 1.759 6 10 [*****+**-*]
1 37 PRO 44.097 2.487 3 10 [**+******-]
1 38 HIS 21.720 2.057 3 10 [**+*****-*]
1 39 ALA 1.555 0.175 6 0 "[ . 1]"
1 40 HIS 40.666 2.011 6 10 [*****+****]
1 41 GLY 3.624 0.296 1 0 "[ . 1]"
1 42 TYR 22.005 1.840 4 10 [***+****-*]
1 43 ILE 20.610 3.210 9 8 "[ ***- **+*]"
1 44 PRO 0.776 0.362 1 0 "[ . 1]"
1 45 SER 4.458 0.564 10 2 "[ - +]"
1 46 LYS 16.627 0.977 6 7 "[ **-+ ***]"
1 47 PHE 30.304 3.210 9 9 "[-**** **+*]"
1 48 PRO 4.006 0.791 5 2 "[ - + 1]"
1 49 ASN 3.131 0.791 5 2 "[ - + 1]"
1 50 LYS 5.066 0.704 1 4 "[+ *.*- 1]"
1 51 ASN 0.000 0.000 . 0 "[ . 1]"
1 52 LEU 4.288 0.826 9 3 "[ .* -+1]"
1 53 LYS 16.011 1.372 4 10 [***+**-***]
1 54 LYS 7.729 0.556 4 2 "[ - +. 1]"
1 55 ASN 6.503 0.675 5 5 "[* *+* - 1]"
1 56 TYR 13.592 0.982 4 4 "[ -*+. * 1]"
1 57 CYS 34.942 3.548 3 10 [**+-******]
1 58 ARG 6.601 0.763 2 2 "[ + . -]"
1 59 ASN 6.067 1.073 3 8 "[**+** -* *]"
1 60 PRO 4.131 0.704 1 4 "[+ *.*- 1]"
1 61 ASP 4.082 0.892 3 3 "[ + * *1]"
1 62 ARG 0.000 0.000 . 0 "[ . 1]"
1 63 ASP 44.858 3.718 2 10 [-+********]
1 64 LEU 19.678 3.335 5 10 [****+-****]
1 65 ARG 8.693 2.586 5 4 "[* + -*1]"
1 66 PRO 4.902 0.381 1 0 "[ . 1]"
1 67 TRP 43.855 1.073 3 10 [**+*******]
1 68 CYS 7.274 0.799 2 3 "[ + *- 1]"
1 69 PHE 17.299 0.909 4 9 [*-*+.*****]
1 70 THR 29.145 1.514 10 10 [********-+]
1 71 THR 43.740 2.487 3 10 [**+*******]
1 72 ASP 0.946 0.509 6 1 "[ .+ 1]"
1 73 PRO 4.982 0.908 7 3 "[ * . + -]"
1 74 ASN 3.866 0.334 2 0 "[ . 1]"
1 75 LYS 23.320 1.514 10 10 [********-+]
1 76 ARG 8.147 0.862 9 7 "[****.- *+1]"
1 77 TRP 77.080 2.760 8 10 [*******+-*]
1 78 GLU 12.945 0.944 1 5 "[+* *- *1]"
1 79 TYR 50.797 3.335 5 10 [****+*-***]
1 80 CYS 11.692 0.833 8 8 "[* * -**+**]"
1 81 ASP 30.592 2.810 4 10 [***+******]
1 82 ILE 30.027 2.600 5 10 [****+**-**]
1 83 PRO 0.556 0.349 5 0 "[ . 1]"
1 84 ARG 71.879 3.807 2 10 [*+***-****]
1 85 CYS 62.726 2.495 4 10 [***+**-***]
1 86 ALA 3.684 0.721 4 2 "[ -+. 1]"
1 87 ALA 4.134 1.344 10 3 "[ - * +]"
2 3 VAL 0.000 0.000 . 0 "[ . 1]"
2 4 GLU 0.000 0.000 . 0 "[ . 1]"
2 6 LEU 1.717 0.295 4 0 "[ . 1]"
2 7 THR 3.366 0.879 7 3 "[ -. + *1]"
2 8 ALA 12.030 1.390 9 5 "[* -. * +*]"
2 9 ASP 4.080 0.327 2 0 "[ . 1]"
2 10 ALA 2.820 0.367 2 0 "[ . 1]"
2 11 GLU 8.828 2.507 9 1 "[ . +1]"
2 12 LEU 3.592 0.346 10 0 "[ . 1]"
2 13 GLN 2.527 0.282 1 0 "[ . 1]"
2 14 ARG 1.461 0.235 10 0 "[ . 1]"
2 15 LEU 3.318 0.365 6 0 "[ . 1]"
2 16 LYS 40.513 3.718 2 10 [*+**-*****]
2 17 ASN 0.622 0.177 3 0 "[ . 1]"
2 18 GLU 0.000 0.000 . 0 "[ . 1]"
2 19 ARG 23.693 2.497 1 9 "[+*-*** ***]"
2 20 HIS 51.336 2.760 8 10 [*****-*+**]
2 21 GLU 2.628 0.433 5 0 "[ . 1]"
2 22 GLU 6.483 0.656 1 1 "[+ . 1]"
2 23 ALA 5.596 0.408 2 0 "[ . 1]"
2 24 GLU 1.459 0.360 2 0 "[ . 1]"
2 25 LEU 0.000 0.000 . 0 "[ . 1]"
2 26 GLU 2.620 0.513 8 1 "[ . + 1]"
2 27 ARG 2.675 0.261 2 0 "[ . 1]"
2 28 LEU 6.370 0.351 9 0 "[ . 1]"
2 29 LYS 2.764 0.334 2 0 "[ . 1]"
2 30 SER 0.012 0.005 6 0 "[ . 1]"
2 31 GLU 0.674 0.264 9 0 "[ . 1]"
2 33 ALA 2.393 0.391 8 0 "[ . 1]"
2 34 ASP 11.501 0.873 10 10 [*-*******+]
2 35 HIS 11.122 0.873 10 10 [*-*******+]
2 36 ASP 5.781 2.030 8 1 "[ . + 1]"
2 37 LYS 3.330 0.363 1 0 "[ . 1]"
2 38 LYS 3.173 0.348 1 0 "[ . 1]"
2 39 GLU 5.656 2.030 8 3 "[* . -+ 1]"
2 40 ALA 15.636 3.938 1 5 "[+ **- * 1]"
2 41 GLU 4.550 0.700 8 3 "[* -. + 1]"
2 42 ARG 11.254 3.427 8 5 "[* *.-*+ 1]"
2 43 LYS 19.995 3.938 1 6 "[+ *-*** 1]"
2 44 ALA 6.703 1.277 8 3 "[ - *+ 1]"
2 45 LEU 9.054 3.427 8 3 "[ .-*+ 1]"
2 46 GLU 2.469 0.346 10 0 "[ . 1]"
2 47 ASP 2.491 0.421 7 0 "[ . 1]"
2 48 LYS 2.702 0.292 8 0 "[ . 1]"
2 49 LEU 13.254 1.089 2 8 "[*+*** ** -]"
2 50 ALA 11.232 1.089 2 8 "[*+*** ** -]"
2 51 ASP 0.000 0.000 . 0 "[ . 1]"
2 52 TYR 0.000 0.000 . 0 "[ . 1]"
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 H 1 2 VAL MG2 3.750 . 5.700 1.993 1.900 2.103 . 0 0 "[ . 1]" 1
2 1 2 VAL H 1 2 VAL HB 3.750 . 5.700 3.672 3.600 3.741 . 0 0 "[ . 1]" 1
3 1 2 VAL HA 1 2 VAL HB 2.650 . 3.500 2.585 2.476 2.693 . 0 0 "[ . 1]" 1
4 1 2 VAL HA 1 2 VAL MG1 3.150 . 4.500 2.223 2.183 2.338 . 0 0 "[ . 1]" 1
5 1 3 GLU H 1 3 GLU QG 3.150 . 4.500 3.234 2.404 3.746 . 0 0 "[ . 1]" 1
6 1 3 GLU H 1 3 GLU QB 2.650 . 3.500 2.383 2.237 2.494 . 0 0 "[ . 1]" 1
7 1 3 GLU HA 1 3 GLU QB 2.650 . 3.500 2.405 2.346 2.475 . 0 0 "[ . 1]" 1
8 1 3 GLU HA 1 3 GLU QG 3.150 . 4.500 2.393 2.254 2.470 . 0 0 "[ . 1]" 1
9 1 4 PHE H 1 4 PHE HB3 2.650 . 3.500 3.504 2.851 3.814 0.314 1 0 "[ . 1]" 1
10 1 3 GLU HA 1 4 PHE H 2.650 . 3.500 3.013 2.187 3.525 0.025 1 0 "[ . 1]" 1
11 1 4 PHE H 1 4 PHE HB2 2.650 . 3.500 2.575 2.302 2.796 . 0 0 "[ . 1]" 1
12 1 4 PHE H 1 4 PHE HA 2.650 . 3.500 2.936 2.902 2.951 . 0 0 "[ . 1]" 1
13 1 3 GLU QG 1 4 PHE H 3.150 . 4.500 4.477 4.028 4.897 0.397 4 0 "[ . 1]" 1
14 1 3 GLU QB 1 4 PHE H 2.650 . 3.500 3.071 2.580 3.723 0.223 6 0 "[ . 1]" 1
15 1 4 PHE HA 1 4 PHE HB3 2.650 . 3.500 2.604 2.372 2.995 . 0 0 "[ . 1]" 1
16 1 4 PHE HA 1 4 PHE HB2 2.650 . 3.500 2.932 2.634 3.026 . 0 0 "[ . 1]" 1
17 1 5 SER H 1 5 SER HA 2.650 . 3.500 2.908 2.863 2.939 . 0 0 "[ . 1]" 1
18 1 5 SER H 1 5 SER HB3 2.650 . 3.500 3.733 3.606 3.965 0.465 9 0 "[ . 1]" 1
19 1 4 PHE HA 1 5 SER H 2.650 . 3.500 2.312 2.113 2.793 . 0 0 "[ . 1]" 1
20 1 5 SER H 1 6 GLU QB 3.750 . 5.700 5.194 4.494 6.129 0.429 7 0 "[ . 1]" 1
21 1 4 PHE HB2 1 5 SER H 3.150 . 4.500 4.239 2.933 4.524 0.024 2 0 "[ . 1]" 1
22 1 4 PHE HB3 1 5 SER H 3.150 . 4.500 3.674 1.945 4.416 . 0 0 "[ . 1]" 1
23 1 5 SER H 1 6 GLU H 2.650 . 3.500 3.906 2.977 4.544 1.044 7 3 "[ * . + -]" 1
24 1 5 SER HA 1 5 SER HB3 2.650 . 3.500 2.336 2.255 2.444 . 0 0 "[ . 1]" 1
25 1 5 SER HA 1 5 SER HB2 2.650 . 3.500 2.860 2.594 3.029 . 0 0 "[ . 1]" 1
26 1 6 GLU H 1 7 GLU QG 3.750 . 5.700 4.886 2.796 6.586 0.886 8 1 "[ . + 1]" 1
27 1 6 GLU H 1 6 GLU QB 2.650 . 3.500 2.533 2.350 2.741 . 0 0 "[ . 1]" 1
28 1 5 SER HB3 1 6 GLU H 3.150 . 4.500 3.900 3.031 4.532 0.032 4 0 "[ . 1]" 1
29 1 5 SER HA 1 6 GLU H 2.650 . 3.500 2.221 2.131 2.424 . 0 0 "[ . 1]" 1
30 1 6 GLU HA 1 6 GLU QB 2.650 . 3.500 2.389 2.277 2.454 . 0 0 "[ . 1]" 1
31 1 6 GLU HA 1 6 GLU QG 3.150 . 4.500 2.426 2.274 2.792 . 0 0 "[ . 1]" 1
32 1 7 GLU H 1 8 CYS H 2.650 . 3.500 4.520 4.318 4.652 1.152 10 10 [********-+] 1
33 1 6 GLU HA 1 7 GLU H 2.300 . 2.800 2.536 2.122 3.363 0.563 10 2 "[ . - +]" 1
34 1 7 GLU H 1 7 GLU HA 2.650 . 3.500 2.907 2.815 2.946 . 0 0 "[ . 1]" 1
35 1 7 GLU H 1 7 GLU HB2 2.900 . 4.000 3.477 2.339 3.828 . 0 0 "[ . 1]" 1
36 1 7 GLU HA 1 7 GLU HB2 2.650 . 3.500 2.596 2.449 3.006 . 0 0 "[ . 1]" 1
37 1 7 GLU HA 1 7 GLU HB3 2.650 . 3.500 2.418 2.335 2.576 . 0 0 "[ . 1]" 1
38 1 7 GLU HB2 1 7 GLU QG 2.650 . 3.500 2.235 2.132 2.501 . 0 0 "[ . 1]" 1
39 1 7 GLU HA 1 7 GLU QG 3.150 . 4.500 3.218 2.308 3.486 . 0 0 "[ . 1]" 1
40 1 7 GLU HB2 1 8 CYS H 3.150 . 4.500 2.735 2.147 3.715 . 0 0 "[ . 1]" 1
41 1 7 GLU HA 1 8 CYS H 2.650 . 3.500 2.398 2.189 2.555 . 0 0 "[ . 1]" 1
42 1 8 CYS H 1 8 CYS QB 2.900 . 4.000 2.570 2.460 2.669 . 0 0 "[ . 1]" 1
43 1 8 CYS H 1 8 CYS HA 2.650 . 3.500 2.938 2.934 2.950 . 0 0 "[ . 1]" 1
44 1 8 CYS H 1 9 MET H 3.150 . 4.500 4.335 4.257 4.371 . 0 0 "[ . 1]" 1
45 1 8 CYS H 1 82 ILE MG 3.750 . 5.700 7.562 7.194 8.300 2.600 5 10 [****+-****] 1
46 1 7 GLU HB3 1 8 CYS H 3.150 . 4.500 3.519 2.356 4.018 . 0 0 "[ . 1]" 1
47 1 8 CYS HA 1 8 CYS QB 2.650 . 3.500 2.339 2.280 2.391 . 0 0 "[ . 1]" 1
48 1 8 CYS HA 1 83 PRO QB 3.150 . 4.500 4.267 3.811 4.849 0.349 5 0 "[ . 1]" 1
49 1 8 CYS HA 1 82 ILE MG 3.750 . 5.700 6.487 6.001 7.329 1.629 5 7 "[** *+ -* *]" 1
50 1 8 CYS QB 1 85 CYS HA 2.650 . 3.500 4.573 4.095 5.341 1.841 4 10 [***+**-***] 1
51 1 8 CYS QB 1 9 MET H 2.650 . 3.500 3.185 3.102 3.231 . 0 0 "[ . 1]" 1
52 1 9 MET H 1 85 CYS H 2.650 . 3.500 5.013 4.297 5.931 2.431 4 10 [***+*-****] 1
53 1 9 MET H 1 82 ILE MG 3.750 . 5.700 5.220 4.864 5.937 0.237 5 0 "[ . 1]" 1
54 1 8 CYS HA 1 9 MET H 2.650 . 3.500 2.092 2.063 2.124 . 0 0 "[ . 1]" 1
55 1 9 MET H 1 83 PRO QB 3.150 . 4.500 3.727 3.340 3.984 . 0 0 "[ . 1]" 1
56 1 9 MET H 1 9 MET HB2 2.650 . 3.500 2.487 2.358 2.711 . 0 0 "[ . 1]" 1
57 1 9 MET HA 1 9 MET HB2 2.650 . 3.500 3.017 3.007 3.023 . 0 0 "[ . 1]" 1
58 1 9 MET HB3 1 9 MET HG3 2.650 . 3.500 2.416 2.377 2.509 . 0 0 "[ . 1]" 1
59 1 9 MET HA 1 10 HIS H 2.650 . 3.500 2.447 2.400 2.485 . 0 0 "[ . 1]" 1
60 1 10 HIS H 1 10 HIS HB2 2.650 . 3.500 2.442 2.300 2.533 . 0 0 "[ . 1]" 1
61 1 10 HIS H 1 10 HIS HB3 2.650 . 3.500 2.639 2.533 2.802 . 0 0 "[ . 1]" 1
62 1 10 HIS H 1 10 HIS HA 2.650 . 3.500 2.814 2.779 2.841 . 0 0 "[ . 1]" 1
63 1 9 MET HB3 1 10 HIS H 2.650 . 3.500 2.323 2.264 2.410 . 0 0 "[ . 1]" 1
64 1 9 MET HB2 1 10 HIS H 3.150 . 4.500 3.514 3.294 3.664 . 0 0 "[ . 1]" 1
65 1 9 MET H 1 10 HIS H 3.150 . 4.500 4.569 4.551 4.581 0.081 5 0 "[ . 1]" 1
66 1 10 HIS HA 1 10 HIS HB3 2.650 . 3.500 3.022 3.013 3.031 . 0 0 "[ . 1]" 1
67 1 10 HIS HA 1 10 HIS HB2 2.650 . 3.500 2.515 2.462 2.580 . 0 0 "[ . 1]" 1
68 1 10 HIS HA 1 11 GLY H 3.150 . 4.500 3.584 3.556 3.602 . 0 0 "[ . 1]" 1
69 1 12 SER H 1 12 SER QB 2.650 . 3.500 2.642 2.286 2.992 . 0 0 "[ . 1]" 1
70 1 12 SER H 1 14 GLU H 3.750 . 5.700 3.679 3.499 3.915 . 0 0 "[ . 1]" 1
71 1 11 GLY HA2 1 12 SER H 2.650 . 3.500 3.603 3.579 3.617 0.117 1 0 "[ . 1]" 1
72 1 11 GLY HA3 1 12 SER H 2.650 . 3.500 2.714 2.576 2.808 . 0 0 "[ . 1]" 1
73 1 12 SER H 1 12 SER HA 2.650 . 3.500 2.924 2.919 2.931 . 0 0 "[ . 1]" 1
74 1 12 SER HA 1 12 SER QB 2.650 . 3.500 2.306 2.157 2.512 . 0 0 "[ . 1]" 1
75 1 13 GLY H 1 14 GLU HA 3.750 . 5.700 5.365 5.308 5.459 . 0 0 "[ . 1]" 1
76 1 9 MET HB2 1 13 GLY H 3.750 . 5.700 5.357 4.386 5.734 0.034 7 0 "[ . 1]" 1
77 1 10 HIS HD2 1 13 GLY H 3.750 . 5.700 4.729 3.863 5.679 . 0 0 "[ . 1]" 1
78 1 12 SER HA 1 13 GLY H 3.150 . 4.500 3.324 3.301 3.374 . 0 0 "[ . 1]" 1
79 1 13 GLY H 1 15 ASN H 3.150 . 4.500 3.877 3.716 4.029 . 0 0 "[ . 1]" 1
80 1 13 GLY H 1 16 TYR H 3.750 . 5.700 4.883 4.690 5.116 . 0 0 "[ . 1]" 1
81 1 13 GLY H 1 13 GLY HA3 2.650 . 3.500 2.857 2.822 2.873 . 0 0 "[ . 1]" 1
82 1 14 GLU H 1 14 GLU QB 2.650 . 3.500 2.159 2.089 2.224 . 0 0 "[ . 1]" 1
83 1 14 GLU H 1 16 TYR H 3.750 . 5.700 4.127 4.068 4.176 . 0 0 "[ . 1]" 1
84 1 14 GLU H 1 15 ASN H 3.150 . 4.500 2.749 2.660 2.811 . 0 0 "[ . 1]" 1
85 1 14 GLU H 1 14 GLU QG 3.150 . 4.500 3.849 3.718 3.981 . 0 0 "[ . 1]" 1
86 1 14 GLU HA 1 14 GLU QB 2.650 . 3.500 2.436 2.327 2.495 . 0 0 "[ . 1]" 1
87 1 14 GLU HA 1 14 GLU QG 3.150 . 4.500 2.253 2.090 2.475 . 0 0 "[ . 1]" 1
88 1 14 GLU H 1 15 ASN HA 3.750 . 5.700 5.356 5.294 5.406 . 0 0 "[ . 1]" 1
89 1 14 GLU H 1 59 ASN QB 3.150 . 4.500 4.045 3.856 4.281 . 0 0 "[ . 1]" 1
90 1 12 SER HA 1 14 GLU H 3.400 . 5.000 4.176 4.134 4.311 . 0 0 "[ . 1]" 1
91 1 13 GLY H 1 14 GLU H 2.650 . 3.500 2.835 2.723 3.016 . 0 0 "[ . 1]" 1
92 1 13 GLY HA3 1 14 GLU H 2.650 . 3.500 3.161 3.039 3.282 . 0 0 "[ . 1]" 1
93 1 15 ASN H 1 15 ASN HA 2.650 . 3.500 2.930 2.908 2.946 . 0 0 "[ . 1]" 1
94 1 15 ASN H 1 15 ASN HB3 2.650 . 3.500 3.087 2.732 3.632 0.132 6 0 "[ . 1]" 1
95 1 15 ASN H 1 16 TYR H 3.150 . 4.500 2.581 2.423 2.723 . 0 0 "[ . 1]" 1
96 1 13 GLY HA3 1 15 ASN H 3.150 . 4.500 4.696 4.531 4.885 0.385 3 0 "[ . 1]" 1
97 1 14 GLU HA 1 15 ASN H 3.150 . 4.500 3.508 3.476 3.536 . 0 0 "[ . 1]" 1
98 1 14 GLU QG 1 15 ASN H 3.750 . 5.700 4.350 4.107 4.589 . 0 0 "[ . 1]" 1
99 1 14 GLU QB 1 15 ASN H 3.150 . 4.500 2.751 2.540 2.882 . 0 0 "[ . 1]" 1
100 1 15 ASN H 1 15 ASN HB2 2.650 . 3.500 2.450 2.190 2.649 . 0 0 "[ . 1]" 1
101 1 10 HIS HD2 1 15 ASN H 3.150 . 4.500 5.077 3.526 6.582 2.082 1 5 "[+-* .* * 1]" 1
102 1 15 ASN HA 1 15 ASN HB3 2.650 . 3.500 2.891 2.548 3.004 . 0 0 "[ . 1]" 1
103 1 15 ASN HA 1 15 ASN HB2 2.650 . 3.500 2.757 2.581 3.016 . 0 0 "[ . 1]" 1
104 1 15 ASN HA 1 16 TYR H 2.650 . 3.500 3.058 2.985 3.104 . 0 0 "[ . 1]" 1
105 1 15 ASN HB2 1 16 TYR H 3.150 . 4.500 4.256 3.902 4.414 . 0 0 "[ . 1]" 1
106 1 16 TYR HA 1 16 TYR QB 2.650 . 3.500 2.341 2.294 2.371 . 0 0 "[ . 1]" 1
107 1 16 TYR H 1 17 ASP H 3.150 . 4.500 4.476 4.453 4.517 0.017 1 0 "[ . 1]" 1
108 1 16 TYR H 1 16 TYR HA 2.650 . 3.500 2.923 2.904 2.945 . 0 0 "[ . 1]" 1
109 1 16 TYR H 1 16 TYR QB 2.650 . 3.500 2.322 2.250 2.393 . 0 0 "[ . 1]" 1
110 1 13 GLY HA3 1 16 TYR H 3.150 . 4.500 4.419 4.180 4.618 0.118 3 0 "[ . 1]" 1
111 1 16 TYR HA 1 16 TYR QD 2.650 . 3.500 2.414 2.158 2.807 . 0 0 "[ . 1]" 1
112 1 16 TYR QB 1 17 ASP H 3.150 . 4.500 3.783 3.660 3.865 . 0 0 "[ . 1]" 1
113 1 16 TYR HA 1 17 ASP H 2.650 . 3.500 2.180 2.159 2.222 . 0 0 "[ . 1]" 1
114 1 17 ASP H 1 17 ASP HA 2.650 . 3.500 2.944 2.939 2.950 . 0 0 "[ . 1]" 1
115 1 17 ASP H 1 18 GLY HA3 3.150 . 4.500 4.755 4.559 4.890 0.390 3 0 "[ . 1]" 1
116 1 17 ASP H 1 18 GLY HA2 3.150 . 4.500 4.463 4.297 4.557 0.057 3 0 "[ . 1]" 1
117 1 17 ASP H 1 17 ASP QB 2.650 . 3.500 2.501 2.324 2.580 . 0 0 "[ . 1]" 1
118 1 17 ASP HA 1 17 ASP QB 2.650 . 3.500 2.447 2.398 2.541 . 0 0 "[ . 1]" 1
119 1 18 GLY HA3 1 19 LYS H 2.650 . 3.500 2.770 2.654 2.983 . 0 0 "[ . 1]" 1
120 1 18 GLY HA2 1 19 LYS H 2.650 . 3.500 2.337 2.203 2.416 . 0 0 "[ . 1]" 1
121 1 19 LYS H 1 19 LYS HG3 3.150 . 4.500 2.773 2.238 3.120 . 0 0 "[ . 1]" 1
122 1 19 LYS H 1 19 LYS HG2 2.650 . 3.500 3.898 3.465 4.157 0.657 9 4 "[ *. - +*]" 1
123 1 19 LYS H 1 19 LYS HA 2.650 . 3.500 2.910 2.897 2.933 . 0 0 "[ . 1]" 1
124 1 19 LYS H 1 20 ILE H 3.150 . 3.500 3.255 2.962 3.534 0.034 5 0 "[ . 1]" 1
125 1 19 LYS H 1 19 LYS QB 2.650 . 3.500 2.341 2.209 2.506 . 0 0 "[ . 1]" 1
126 1 19 LYS HA 1 19 LYS HG3 3.150 . 4.500 2.928 2.741 3.236 . 0 0 "[ . 1]" 1
127 1 19 LYS HA 1 19 LYS QB 2.650 . 3.500 2.414 2.325 2.482 . 0 0 "[ . 1]" 1
128 1 19 LYS HA 1 56 TYR QD 3.150 . 4.500 3.008 2.760 3.212 . 0 0 "[ . 1]" 1
129 1 19 LYS HA 1 19 LYS HG2 3.150 . 4.500 2.530 2.317 2.788 . 0 0 "[ . 1]" 1
130 1 19 LYS QB 1 19 LYS QD 2.650 . 3.500 2.108 2.083 2.132 . 0 0 "[ . 1]" 1
131 1 19 LYS QB 1 19 LYS HG2 2.650 . 3.500 2.326 2.243 2.387 . 0 0 "[ . 1]" 1
132 1 19 LYS QD 1 19 LYS HG2 2.650 . 3.500 2.370 2.278 2.456 . 0 0 "[ . 1]" 1
133 1 19 LYS HG2 1 56 TYR QE 3.150 . 4.500 3.302 2.927 4.136 . 0 0 "[ . 1]" 1
134 1 19 LYS QD 1 19 LYS QE 2.300 . 2.800 2.088 2.084 2.094 . 0 0 "[ . 1]" 1
135 1 19 LYS QD 1 19 LYS HG3 2.650 . 3.500 2.322 2.239 2.406 . 0 0 "[ . 1]" 1
136 1 20 ILE H 1 20 ILE HG12 3.150 . 4.500 4.385 4.264 4.476 . 0 0 "[ . 1]" 1
137 1 20 ILE H 1 20 ILE MG 2.650 . 3.500 1.951 1.905 2.039 . 0 0 "[ . 1]" 1
138 1 20 ILE H 1 20 ILE HG13 3.150 . 4.500 4.559 4.501 4.591 0.091 10 0 "[ . 1]" 1
139 1 20 ILE H 1 20 ILE HA 2.650 . 3.500 2.927 2.910 2.937 . 0 0 "[ . 1]" 1
140 1 20 ILE H 1 20 ILE MD 3.150 . 4.500 4.563 4.510 4.606 0.106 1 0 "[ . 1]" 1
141 1 16 TYR QE 1 20 ILE H 3.150 . 4.500 4.667 3.873 5.241 0.741 1 2 "[+ - . 1]" 1
142 1 20 ILE H 1 21 SER H 3.400 . 5.000 4.362 4.314 4.429 . 0 0 "[ . 1]" 1
143 1 19 LYS HA 1 20 ILE H 2.650 . 3.500 2.649 2.497 2.800 . 0 0 "[ . 1]" 1
144 1 20 ILE H 1 20 ILE HB 2.300 . 2.800 2.995 2.886 3.094 0.294 1 0 "[ . 1]" 1
145 1 20 ILE HA 1 20 ILE HG13 2.650 . 3.500 2.474 2.391 2.589 . 0 0 "[ . 1]" 1
146 1 20 ILE HA 1 20 ILE HG12 2.650 . 3.500 3.359 3.289 3.458 . 0 0 "[ . 1]" 1
147 1 20 ILE HA 1 20 ILE MD 3.750 . 5.700 3.684 3.521 3.807 . 0 0 "[ . 1]" 1
148 1 20 ILE HB 1 20 ILE MD 3.150 . 4.500 2.334 2.274 2.391 . 0 0 "[ . 1]" 1
149 1 20 ILE HA 1 20 ILE HB 2.650 . 3.500 2.391 2.361 2.420 . 0 0 "[ . 1]" 1
150 1 20 ILE HB 1 20 ILE HG13 2.650 . 3.500 2.561 2.493 2.644 . 0 0 "[ . 1]" 1
151 1 20 ILE HB 1 82 ILE MD 3.750 . 5.700 5.433 4.994 5.863 0.163 5 0 "[ . 1]" 1
152 1 20 ILE MG 1 21 SER QB 3.750 . 5.700 5.251 5.103 5.397 . 0 0 "[ . 1]" 1
153 1 20 ILE HA 1 21 SER H 2.300 . 2.800 2.135 2.122 2.160 . 0 0 "[ . 1]" 1
154 1 21 SER H 1 21 SER HA 2.650 . 3.500 2.947 2.940 2.956 . 0 0 "[ . 1]" 1
155 1 20 ILE HB 1 21 SER H 3.150 . 4.500 4.252 4.220 4.305 . 0 0 "[ . 1]" 1
156 1 20 ILE HG12 1 21 SER H 2.650 . 3.500 3.647 3.546 3.734 0.234 6 0 "[ . 1]" 1
157 1 20 ILE MG 1 21 SER H 3.150 . 4.500 4.180 4.119 4.257 . 0 0 "[ . 1]" 1
158 1 20 ILE HG13 1 21 SER H 2.900 . 4.000 2.985 2.739 3.239 . 0 0 "[ . 1]" 1
159 1 21 SER H 1 57 CYS H 3.750 . 5.700 5.145 4.896 5.807 0.107 5 0 "[ . 1]" 1
160 1 21 SER H 1 22 LYS HA 3.750 . 5.700 4.708 4.619 4.877 . 0 0 "[ . 1]" 1
161 1 21 SER H 1 22 LYS QG 3.400 . 5.000 3.594 3.167 4.037 . 0 0 "[ . 1]" 1
162 1 21 SER H 1 22 LYS H 2.650 . 3.500 2.198 2.065 2.455 . 0 0 "[ . 1]" 1
163 1 21 SER H 1 56 TYR QD 3.750 . 5.700 3.915 3.581 4.192 . 0 0 "[ . 1]" 1
164 1 21 SER H 1 21 SER QB 2.650 . 3.500 2.961 2.532 3.101 . 0 0 "[ . 1]" 1
165 1 21 SER HA 1 56 TYR HA 2.650 . 3.500 2.704 2.488 3.088 . 0 0 "[ . 1]" 1
166 1 21 SER HA 1 21 SER QB 2.650 . 3.500 2.203 2.163 2.349 . 0 0 "[ . 1]" 1
167 1 21 SER QB 1 56 TYR HA 3.150 . 4.500 3.414 2.878 4.698 0.198 5 0 "[ . 1]" 1
168 1 21 SER QB 1 56 TYR QD 3.150 . 4.500 3.028 2.355 4.292 . 0 0 "[ . 1]" 1
169 1 20 ILE HB 1 22 LYS H 3.400 . 5.000 4.639 4.529 4.687 . 0 0 "[ . 1]" 1
170 1 21 SER QB 1 22 LYS H 3.150 . 4.500 3.770 3.433 3.945 . 0 0 "[ . 1]" 1
171 1 22 LYS H 1 22 LYS HA 2.650 . 3.500 2.943 2.939 2.948 . 0 0 "[ . 1]" 1
172 1 22 LYS H 1 22 LYS QB 2.650 . 3.500 2.540 2.426 2.666 . 0 0 "[ . 1]" 1
173 1 22 LYS H 1 22 LYS QE 3.750 . 5.700 3.960 3.681 4.245 . 0 0 "[ . 1]" 1
174 1 20 ILE HG12 1 22 LYS H 2.650 . 3.500 2.711 2.273 2.959 . 0 0 "[ . 1]" 1
175 1 22 LYS H 1 57 CYS QB 3.750 . 5.700 4.768 4.347 5.466 . 0 0 "[ . 1]" 1
176 1 22 LYS H 1 23 THR H 3.150 . 4.500 4.455 4.428 4.486 . 0 0 "[ . 1]" 1
177 1 22 LYS H 1 22 LYS QG 2.650 . 3.500 3.052 2.796 3.471 . 0 0 "[ . 1]" 1
178 1 21 SER HA 1 22 LYS H 2.650 . 3.500 3.168 3.004 3.264 . 0 0 "[ . 1]" 1
179 1 22 LYS H 1 29 CYS QB 3.750 . 5.700 4.429 4.180 4.686 . 0 0 "[ . 1]" 1
180 1 20 ILE HA 1 22 LYS H 3.150 . 4.500 3.456 3.320 3.586 . 0 0 "[ . 1]" 1
181 1 20 ILE MD 1 22 LYS H 3.750 . 5.700 3.671 3.422 3.909 . 0 0 "[ . 1]" 1
182 1 22 LYS HA 1 22 LYS QB 2.650 . 3.500 2.402 2.328 2.477 . 0 0 "[ . 1]" 1
183 1 22 LYS HA 1 28 GLU HA 2.650 . 3.500 2.824 2.379 3.245 . 0 0 "[ . 1]" 1
184 1 22 LYS QB 1 22 LYS QE 3.150 . 4.500 1.975 1.894 2.064 . 0 0 "[ . 1]" 1
185 1 22 LYS QB 1 23 THR H 3.150 . 4.500 2.610 2.440 2.769 . 0 0 "[ . 1]" 1
186 1 22 LYS HA 1 23 THR H 2.300 . 2.800 2.300 2.253 2.376 . 0 0 "[ . 1]" 1
187 1 23 THR H 1 27 LEU HA 3.150 . 4.500 4.909 4.730 5.076 0.576 4 4 "[ *-+.* 1]" 1
188 1 23 THR H 1 25 SER H 3.150 . 4.500 4.674 4.548 4.816 0.316 4 0 "[ . 1]" 1
189 1 23 THR H 1 23 THR HA 2.650 . 3.500 2.929 2.927 2.936 . 0 0 "[ . 1]" 1
190 1 23 THR H 1 23 THR HG1 2.650 . 3.500 2.332 2.008 3.739 0.239 9 0 "[ . 1]" 1
191 1 23 THR H 1 26 GLY HA2 3.150 . 4.500 4.264 4.095 4.444 . 0 0 "[ . 1]" 1
192 1 23 THR H 1 26 GLY H 3.150 . 3.500 4.283 4.171 4.394 0.894 6 10 [*****+*-**] 1
193 1 23 THR H 1 27 LEU QB 3.150 . 4.500 3.884 3.431 4.109 . 0 0 "[ . 1]" 1
194 1 23 THR HA 1 23 THR MG 3.150 . 4.500 2.310 2.146 2.481 . 0 0 "[ . 1]" 1
195 1 23 THR HB 1 78 GLU HB2 3.150 . 4.500 3.896 3.299 4.293 . 0 0 "[ . 1]" 1
196 1 23 THR HB 1 78 GLU HB3 2.650 . 3.500 3.412 2.871 4.146 0.646 1 1 "[+ . 1]" 1
197 1 23 THR MG 1 78 GLU HB3 2.650 . 3.500 2.891 2.211 3.376 . 0 0 "[ . 1]" 1
198 1 23 THR HG1 1 24 MET H 3.150 . 4.500 4.374 3.225 4.624 0.124 7 0 "[ . 1]" 1
199 1 23 THR H 1 24 MET H 3.150 . 4.500 4.458 4.365 4.528 0.028 1 0 "[ . 1]" 1
200 1 24 MET H 1 24 MET QG 2.650 . 3.500 2.066 1.730 2.313 0.070 6 0 "[ . 1]" 1
201 1 24 MET H 1 24 MET HB2 2.650 . 3.500 3.609 3.575 3.640 0.140 9 0 "[ . 1]" 1
202 1 24 MET H 1 24 MET HB3 2.650 . 3.500 2.662 2.513 2.895 . 0 0 "[ . 1]" 1
203 1 24 MET H 1 24 MET HA 2.650 . 3.500 2.840 2.798 2.873 . 0 0 "[ . 1]" 1
204 1 23 THR HA 1 24 MET H 2.300 . 2.800 2.625 2.470 2.805 0.005 2 0 "[ . 1]" 1
205 1 23 THR MG 1 24 MET H 3.150 . 4.500 3.405 2.647 3.706 . 0 0 "[ . 1]" 1
206 1 24 MET HA 1 24 MET HB3 2.650 . 3.500 2.426 2.348 2.510 . 0 0 "[ . 1]" 1
207 1 24 MET HA 1 24 MET HB2 2.650 . 3.500 2.472 2.383 2.553 . 0 0 "[ . 1]" 1
208 1 24 MET HA 1 81 ASP QB 3.150 . 3.500 5.534 4.970 6.310 2.810 4 10 [*-*+******] 1
209 1 24 MET HB3 1 24 MET QG 2.650 . 3.500 2.172 2.134 2.366 . 0 0 "[ . 1]" 1
210 1 24 MET HB2 1 24 MET QG 2.300 . 2.800 2.459 2.316 2.508 . 0 0 "[ . 1]" 1
211 1 24 MET QG 1 79 TYR QD 3.750 . 5.700 6.378 5.774 6.991 1.291 9 7 "[** ***- +1]" 1
212 1 25 SER H 1 78 GLU QG 3.750 . 5.700 4.850 4.220 5.521 . 0 0 "[ . 1]" 1
213 1 23 THR HG1 1 25 SER H 2.650 . 3.500 4.000 2.309 4.939 1.439 2 7 "[ +***** -]" 1
214 1 24 MET QG 1 25 SER H 3.150 . 4.500 2.325 2.061 2.789 . 0 0 "[ . 1]" 1
215 1 25 SER H 1 25 SER HA 2.300 . 2.800 2.891 2.868 2.908 0.108 9 0 "[ . 1]" 1
216 1 25 SER H 1 25 SER HB3 2.650 . 3.500 3.580 3.445 3.640 0.140 2 0 "[ . 1]" 1
217 1 25 SER H 1 25 SER HB2 2.650 . 3.500 2.710 2.347 3.081 . 0 0 "[ . 1]" 1
218 1 25 SER H 1 25 SER HG 2.650 . 3.500 2.603 2.186 3.068 . 0 0 "[ . 1]" 1
219 1 25 SER H 1 27 LEU H 2.650 . 3.500 3.556 3.405 3.659 0.159 7 0 "[ . 1]" 1
220 1 25 SER H 1 26 GLY H 2.650 . 2.800 3.111 3.039 3.151 0.351 3 0 "[ . 1]" 1
221 1 24 MET H 1 25 SER H 2.650 . 3.500 2.547 2.391 2.710 . 0 0 "[ . 1]" 1
222 1 25 SER HA 1 25 SER HB3 2.300 . 2.800 2.356 2.238 2.537 . 0 0 "[ . 1]" 1
223 1 25 SER HA 1 25 SER HB2 2.300 . 2.800 2.988 2.907 3.022 0.222 8 0 "[ . 1]" 1
224 1 26 GLY H 1 26 GLY HA3 2.650 . 3.500 2.761 2.749 2.771 . 0 0 "[ . 1]" 1
225 1 25 SER HA 1 26 GLY H 2.650 . 3.500 3.007 2.968 3.035 . 0 0 "[ . 1]" 1
226 1 24 MET H 1 26 GLY H 3.150 . 4.500 4.592 4.490 4.677 0.177 3 0 "[ . 1]" 1
227 1 26 GLY H 1 27 LEU QB 3.750 . 5.700 5.213 5.095 5.272 . 0 0 "[ . 1]" 1
228 1 25 SER HG 1 26 GLY H 3.750 . 5.700 4.963 4.768 5.250 . 0 0 "[ . 1]" 1
229 1 25 SER HB2 1 26 GLY H 3.150 . 4.500 4.178 4.128 4.215 . 0 0 "[ . 1]" 1
230 1 26 GLY H 1 26 GLY HA2 2.650 . 3.500 2.262 2.254 2.266 . 0 0 "[ . 1]" 1
231 1 22 LYS QB 1 26 GLY H 3.400 . 5.000 4.471 4.214 4.655 . 0 0 "[ . 1]" 1
232 1 22 LYS HA 1 26 GLY H 3.750 . 5.700 6.168 5.947 6.350 0.650 1 5 "[+- *** 1]" 1
233 1 26 GLY H 1 27 LEU H 2.300 . 2.800 3.041 2.975 3.106 0.306 7 0 "[ . 1]" 1
234 1 22 LYS QB 1 26 GLY HA2 3.150 . 4.500 3.673 3.328 4.045 . 0 0 "[ . 1]" 1
235 1 26 GLY HA2 1 27 LEU H 2.650 . 3.500 3.341 3.296 3.380 . 0 0 "[ . 1]" 1
236 1 22 LYS HA 1 27 LEU H 3.750 . 5.700 5.458 5.182 5.654 . 0 0 "[ . 1]" 1
237 1 23 THR H 1 27 LEU H 2.650 . 3.500 3.610 3.338 3.774 0.274 6 0 "[ . 1]" 1
238 1 25 SER HA 1 27 LEU H 3.400 . 5.000 4.292 4.249 4.329 . 0 0 "[ . 1]" 1
239 1 23 THR HG1 1 27 LEU H 2.650 . 3.500 2.875 2.456 4.404 0.904 2 1 "[ + . 1]" 1
240 1 26 GLY HA3 1 27 LEU H 2.650 . 3.500 3.268 3.237 3.304 . 0 0 "[ . 1]" 1
241 1 27 LEU H 1 28 GLU H 3.150 . 4.500 4.537 4.497 4.576 0.076 2 0 "[ . 1]" 1
242 1 27 LEU H 1 27 LEU MD1 3.150 . 4.500 3.616 3.523 3.708 . 0 0 "[ . 1]" 1
243 1 27 LEU H 1 27 LEU QB 2.650 . 3.500 2.570 2.492 2.660 . 0 0 "[ . 1]" 1
244 1 27 LEU H 1 27 LEU HG 2.650 . 3.500 2.104 1.922 2.213 . 0 0 "[ . 1]" 1
245 1 27 LEU HA 1 27 LEU QB 2.650 . 3.500 2.306 2.269 2.337 . 0 0 "[ . 1]" 1
246 1 27 LEU QB 1 27 LEU HG 2.650 . 3.500 2.351 2.319 2.378 . 0 0 "[ . 1]" 1
247 1 27 LEU MD2 1 72 ASP QB 3.150 . 4.500 2.858 2.366 3.269 . 0 0 "[ . 1]" 1
248 1 27 LEU HA 1 27 LEU MD2 3.150 . 4.500 2.154 2.022 2.261 . 0 0 "[ . 1]" 1
249 1 27 LEU MD2 1 70 THR MG 2.650 . 3.500 3.795 3.483 4.033 0.533 7 1 "[ . + 1]" 1
250 1 27 LEU MD1 1 78 GLU QG 3.750 . 5.700 2.352 1.927 2.988 . 0 0 "[ . 1]" 1
251 1 27 LEU MD1 1 75 LYS HG2 3.150 . 4.500 2.924 2.526 4.129 . 0 0 "[ . 1]" 1
252 1 27 LEU HA 1 27 LEU HG 2.650 . 3.500 3.264 3.142 3.359 . 0 0 "[ . 1]" 1
253 1 28 GLU H 1 28 GLU HA 2.650 . 3.500 2.866 2.848 2.883 . 0 0 "[ . 1]" 1
254 1 27 LEU MD2 1 28 GLU H 3.750 . 5.700 3.768 3.514 3.944 . 0 0 "[ . 1]" 1
255 1 22 LYS HA 1 28 GLU H 3.750 . 5.700 5.152 4.827 5.544 . 0 0 "[ . 1]" 1
256 1 27 LEU HA 1 28 GLU H 2.300 . 2.800 2.128 2.113 2.148 . 0 0 "[ . 1]" 1
257 1 22 LYS QD 1 28 GLU H 3.750 . 5.700 5.907 5.384 6.515 0.815 4 4 "[ *+. - *]" 1
258 1 28 GLU H 1 28 GLU QG 3.150 . 4.500 2.297 1.871 2.773 . 0 0 "[ . 1]" 1
259 1 27 LEU QB 1 28 GLU H 2.650 . 3.500 3.100 2.952 3.198 . 0 0 "[ . 1]" 1
260 1 28 GLU H 1 71 THR H 3.150 . 4.500 4.388 4.198 4.694 0.194 1 0 "[ . 1]" 1
261 1 28 GLU H 1 28 GLU HB2 2.300 . 2.800 2.490 2.230 2.717 . 0 0 "[ . 1]" 1
262 1 22 LYS QB 1 28 GLU HA 3.150 . 4.500 4.274 3.843 4.750 0.250 4 0 "[ . 1]" 1
263 1 22 LYS QG 1 28 GLU HA 2.650 . 3.500 3.029 2.582 3.855 0.355 4 0 "[ . 1]" 1
264 1 28 GLU HA 1 28 GLU QG 3.150 . 4.500 2.453 2.268 2.642 . 0 0 "[ . 1]" 1
265 1 28 GLU HA 1 28 GLU HB2 2.650 . 3.500 3.017 2.988 3.025 . 0 0 "[ . 1]" 1
266 1 28 GLU HB3 1 28 GLU QG 2.300 . 2.800 2.352 2.287 2.450 . 0 0 "[ . 1]" 1
267 1 28 GLU HA 1 28 GLU HB3 2.650 . 3.500 2.470 2.360 2.622 . 0 0 "[ . 1]" 1
268 1 28 GLU HB2 1 28 GLU QG 2.300 . 2.800 2.329 2.230 2.396 . 0 0 "[ . 1]" 1
269 1 22 LYS H 1 29 CYS H 3.400 . 5.000 4.885 4.715 5.304 0.304 4 0 "[ . 1]" 1
270 1 22 LYS HB3 1 29 CYS H 3.750 . 5.700 5.431 5.092 5.817 0.117 8 0 "[ . 1]" 1
271 1 21 SER HA 1 29 CYS H 3.750 . 5.700 4.237 3.968 4.545 . 0 0 "[ . 1]" 1
272 1 22 LYS QG 1 29 CYS H 3.150 . 4.500 4.024 3.595 4.542 0.042 4 0 "[ . 1]" 1
273 1 22 LYS HA 1 29 CYS H 2.650 . 3.500 3.028 2.720 3.442 . 0 0 "[ . 1]" 1
274 1 29 CYS H 1 29 CYS QB 2.300 . 2.800 2.210 2.140 2.242 . 0 0 "[ . 1]" 1
275 1 28 GLU HA 1 29 CYS H 2.300 . 2.800 2.156 2.125 2.181 . 0 0 "[ . 1]" 1
276 1 28 GLU QG 1 29 CYS H 2.650 . 3.500 4.116 3.690 4.415 0.915 2 7 "[ +**** -*1]" 1
277 1 28 GLU HB3 1 29 CYS H 3.150 . 4.500 3.215 3.076 3.337 . 0 0 "[ . 1]" 1
278 1 29 CYS H 1 30 GLN H 3.400 . 5.000 4.530 4.484 4.574 . 0 0 "[ . 1]" 1
279 1 29 CYS H 1 71 THR H 3.750 . 5.700 5.083 4.926 5.258 . 0 0 "[ . 1]" 1
280 1 29 CYS H 1 29 CYS HA 2.650 . 3.500 2.842 2.823 2.873 . 0 0 "[ . 1]" 1
281 1 23 THR H 1 29 CYS H 3.750 . 5.700 4.562 4.315 4.784 . 0 0 "[ . 1]" 1
282 1 29 CYS HA 1 70 THR HA 2.650 . 3.500 2.409 2.236 2.629 . 0 0 "[ . 1]" 1
283 1 29 CYS HA 1 71 THR MG 3.750 . 5.700 4.973 4.140 5.935 0.235 6 0 "[ . 1]" 1
284 1 30 GLN H 1 69 PHE HB3 3.150 . 4.500 4.132 3.883 4.328 . 0 0 "[ . 1]" 1
285 1 30 GLN H 1 30 GLN HB3 2.650 . 3.500 2.335 2.127 2.652 . 0 0 "[ . 1]" 1
286 1 29 CYS HA 1 30 GLN H 2.650 . 3.500 2.117 2.086 2.147 . 0 0 "[ . 1]" 1
287 1 29 CYS QB 1 30 GLN H 2.650 . 3.500 3.614 3.542 3.751 0.251 4 0 "[ . 1]" 1
288 1 30 GLN H 1 30 GLN HA 2.650 . 3.500 2.871 2.849 2.899 . 0 0 "[ . 1]" 1
289 1 30 GLN H 1 70 THR HA 2.650 . 3.500 2.583 2.277 2.804 . 0 0 "[ . 1]" 1
290 1 30 GLN H 1 69 PHE HB2 3.150 . 4.500 3.717 3.485 4.439 . 0 0 "[ . 1]" 1
291 1 30 GLN H 1 30 GLN HB2 2.650 . 3.500 2.995 2.420 3.637 0.137 4 0 "[ . 1]" 1
292 1 30 GLN H 1 30 GLN QG 3.150 . 4.500 3.542 2.114 3.968 . 0 0 "[ . 1]" 1
293 1 30 GLN HA 1 30 GLN QG 3.150 . 4.500 2.811 2.372 3.358 . 0 0 "[ . 1]" 1
294 1 30 GLN HA 1 30 GLN HB3 2.650 . 3.500 2.899 2.455 3.024 . 0 0 "[ . 1]" 1
295 1 30 GLN HA 1 30 GLN HB2 2.650 . 3.500 2.379 2.294 2.541 . 0 0 "[ . 1]" 1
296 1 30 GLN HB2 1 30 GLN QG 2.650 . 3.500 2.293 2.176 2.375 . 0 0 "[ . 1]" 1
297 1 30 GLN QE 1 36 SER HA 3.750 . 5.700 5.110 4.734 5.264 . 0 0 "[ . 1]" 1
298 1 30 GLN QE 1 35 GLN HA 3.150 . 4.500 4.520 3.640 5.576 1.076 4 2 "[ +- 1]" 1
299 1 31 ALA H 1 31 ALA HA 2.300 . 2.800 2.839 2.803 2.864 0.064 1 0 "[ . 1]" 1
300 1 31 ALA H 1 34 SER H 3.750 . 5.700 4.910 4.719 5.120 . 0 0 "[ . 1]" 1
301 1 31 ALA H 1 31 ALA MB 2.650 . 3.500 2.205 2.105 2.251 . 0 0 "[ . 1]" 1
302 1 30 GLN HA 1 31 ALA H 2.300 . 2.800 2.262 2.233 2.307 . 0 0 "[ . 1]" 1
303 1 30 GLN H 1 31 ALA H 3.150 . 4.500 4.616 4.585 4.649 0.149 5 0 "[ . 1]" 1
304 1 31 ALA H 1 55 ASN HB2 2.650 . 3.500 3.901 3.664 4.175 0.675 5 4 "[* +* - 1]" 1
305 1 31 ALA H 1 32 TRP H 3.150 . 4.500 4.561 4.530 4.581 0.081 3 0 "[ . 1]" 1
306 1 30 GLN HB2 1 31 ALA H 3.150 . 4.500 3.703 2.770 4.134 . 0 0 "[ . 1]" 1
307 1 31 ALA H 1 55 ASN HA 3.400 . 5.000 4.948 4.662 5.149 0.149 6 0 "[ . 1]" 1
308 1 30 GLN QG 1 31 ALA H 2.650 . 3.500 2.698 2.170 3.894 0.394 4 0 "[ . 1]" 1
309 1 31 ALA HA 1 55 ASN HB2 2.650 . 3.500 2.806 2.441 3.007 . 0 0 "[ . 1]" 1
310 1 31 ALA HA 1 55 ASN HA 2.650 . 3.500 2.422 2.158 2.634 . 0 0 "[ . 1]" 1
311 1 31 ALA HA 1 55 ASN HB3 2.650 . 3.500 2.153 1.885 2.560 . 0 0 "[ . 1]" 1
312 1 31 ALA MB 1 55 ASN HB2 3.150 . 4.500 3.734 3.388 4.094 . 0 0 "[ . 1]" 1
313 1 31 ALA MB 1 32 TRP H 3.150 . 4.500 2.948 2.853 3.029 . 0 0 "[ . 1]" 1
314 1 32 TRP H 1 34 SER H 3.150 . 4.500 3.923 3.839 3.990 . 0 0 "[ . 1]" 1
315 1 32 TRP H 1 32 TRP HD1 2.650 . 3.500 2.633 2.294 3.115 . 0 0 "[ . 1]" 1
316 1 32 TRP H 1 32 TRP HA 2.300 . 2.800 2.808 2.790 2.831 0.031 10 0 "[ . 1]" 1
317 1 32 TRP H 1 32 TRP HB2 2.650 . 3.500 2.482 2.437 2.546 . 0 0 "[ . 1]" 1
318 1 32 TRP H 1 55 ASN HA 2.650 . 3.500 2.843 2.718 3.071 . 0 0 "[ . 1]" 1
319 1 32 TRP H 1 33 ASP H 2.650 . 3.500 2.877 2.833 2.947 . 0 0 "[ . 1]" 1
320 1 32 TRP H 1 32 TRP HB3 2.650 . 3.500 3.593 3.579 3.612 0.112 3 0 "[ . 1]" 1
321 1 31 ALA HA 1 32 TRP H 2.300 . 2.800 2.149 2.119 2.180 . 0 0 "[ . 1]" 1
322 1 32 TRP H 1 32 TRP HE1 3.150 . 4.500 4.606 4.496 4.867 0.367 4 0 "[ . 1]" 1
323 1 32 TRP HA 1 32 TRP HB2 2.650 . 3.500 3.020 3.017 3.024 . 0 0 "[ . 1]" 1
324 1 32 TRP HA 1 32 TRP HB3 2.650 . 3.500 2.490 2.468 2.520 . 0 0 "[ . 1]" 1
325 1 32 TRP HB3 1 44 PRO HG3 3.150 . 4.500 2.277 1.959 3.039 . 0 0 "[ . 1]" 1
326 1 32 TRP HB3 1 52 LEU HB2 3.750 . 5.700 5.059 4.629 5.367 . 0 0 "[ . 1]" 1
327 1 32 TRP HB2 1 44 PRO HG3 3.150 . 4.500 2.775 2.362 3.692 . 0 0 "[ . 1]" 1
328 1 32 TRP HE1 1 57 CYS H 3.400 . 5.000 4.973 4.808 5.317 0.317 4 0 "[ . 1]" 1
329 1 32 TRP HB2 1 32 TRP HE1 3.400 . 5.000 4.775 4.741 4.807 . 0 0 "[ . 1]" 1
330 1 32 TRP HE1 1 52 LEU HA 3.150 . 4.500 4.717 3.637 5.326 0.826 9 3 "[ .* -+1]" 1
331 1 32 TRP HE1 1 53 LYS HA 3.750 . 5.700 6.684 6.251 7.072 1.372 4 10 [***+**-***] 1
332 1 32 TRP HE1 1 55 ASN HA 3.150 . 4.500 3.651 3.138 4.640 0.140 4 0 "[ . 1]" 1
333 1 32 TRP HE1 1 56 TYR HA 3.150 . 4.500 4.691 4.396 5.425 0.925 4 2 "[ +. - 1]" 1
334 1 32 TRP HE1 1 56 TYR H 2.650 . 3.500 3.516 3.038 4.482 0.982 4 1 "[ +. 1]" 1
335 1 32 TRP HE1 1 52 LEU QD 3.750 . 5.700 4.292 3.693 4.899 . 0 0 "[ . 1]" 1
336 1 32 TRP HE1 1 52 LEU HG 3.750 . 5.700 4.334 3.656 4.934 . 0 0 "[ . 1]" 1
337 1 32 TRP HE1 1 58 ARG QB 3.150 . 4.500 4.443 3.593 5.263 0.763 2 2 "[ + . -]" 1
338 1 32 TRP HE1 1 58 ARG HG3 3.150 . 4.500 4.185 3.340 4.969 0.469 8 0 "[ . 1]" 1
339 1 32 TRP HE1 1 58 ARG HG2 3.150 . 4.500 3.634 3.060 4.280 . 0 0 "[ . 1]" 1
340 1 32 TRP HE1 1 69 PHE H 3.750 . 5.700 5.620 5.001 6.259 0.559 7 1 "[ . + 1]" 1
341 1 33 ASP H 1 34 SER H 2.650 . 3.500 2.729 2.686 2.790 . 0 0 "[ . 1]" 1
342 1 33 ASP H 1 44 PRO HG3 3.150 . 4.500 3.722 2.978 4.313 . 0 0 "[ . 1]" 1
343 1 32 TRP HA 1 33 ASP H 2.650 . 3.500 3.583 3.566 3.603 0.103 10 0 "[ . 1]" 1
344 1 33 ASP H 1 34 SER QB 3.150 . 4.500 4.532 4.300 4.940 0.440 10 0 "[ . 1]" 1
345 1 32 TRP HD1 1 33 ASP H 3.750 . 5.700 4.424 4.311 4.569 . 0 0 "[ . 1]" 1
346 1 33 ASP H 1 44 PRO HG2 3.400 . 5.000 3.297 2.763 4.556 . 0 0 "[ . 1]" 1
347 1 32 TRP HB3 1 33 ASP H 3.150 . 4.500 3.366 3.308 3.417 . 0 0 "[ . 1]" 1
348 1 31 ALA MB 1 33 ASP H 3.750 . 5.700 3.360 3.231 3.570 . 0 0 "[ . 1]" 1
349 1 33 ASP H 1 33 ASP QB 2.650 . 3.500 2.394 2.234 2.622 . 0 0 "[ . 1]" 1
350 1 33 ASP H 1 33 ASP HA 2.650 . 3.500 2.845 2.809 2.872 . 0 0 "[ . 1]" 1
351 1 33 ASP HA 1 44 PRO HG2 3.150 . 4.500 2.812 2.390 3.274 . 0 0 "[ . 1]" 1
352 1 33 ASP HA 1 33 ASP QB 2.650 . 3.500 2.171 2.163 2.177 . 0 0 "[ . 1]" 1
353 1 33 ASP HA 1 44 PRO HD3 3.150 . 4.500 3.391 3.092 3.693 . 0 0 "[ . 1]" 1
354 1 34 SER HA 1 34 SER QB 2.650 . 3.500 2.396 2.289 2.537 . 0 0 "[ . 1]" 1
355 1 30 GLN QE 1 34 SER H 3.150 . 4.500 4.945 3.731 6.221 1.721 4 5 "[ +**- *]" 1
356 1 34 SER H 1 34 SER HA 2.650 . 3.500 2.924 2.903 2.936 . 0 0 "[ . 1]" 1
357 1 34 SER H 1 34 SER QB 2.650 . 2.800 2.406 2.162 2.612 . 0 0 "[ . 1]" 1
358 1 34 SER H 1 34 SER HG 3.150 . 4.500 3.592 2.262 4.541 0.041 3 0 "[ . 1]" 1
359 1 34 SER H 1 40 HIS HE1 3.150 . 4.500 4.517 4.161 4.768 0.268 2 0 "[ . 1]" 1
360 1 33 ASP QB 1 34 SER H 3.150 . 4.500 3.862 3.758 3.940 . 0 0 "[ . 1]" 1
361 1 33 ASP HA 1 34 SER H 2.650 . 3.500 3.299 3.206 3.398 . 0 0 "[ . 1]" 1
362 1 30 GLN QG 1 34 SER H 3.750 . 5.700 4.836 4.364 5.789 0.089 4 0 "[ . 1]" 1
363 1 31 ALA MB 1 34 SER H 3.750 . 5.700 2.733 2.482 2.921 . 0 0 "[ . 1]" 1
364 1 30 GLN QG 1 34 SER QB 3.750 . 5.700 3.862 3.206 5.019 . 0 0 "[ . 1]" 1
365 1 31 ALA MB 1 34 SER QB 3.400 . 5.000 1.861 1.775 1.986 0.025 2 0 "[ . 1]" 1
366 1 34 SER H 1 35 GLN H 3.150 . 4.500 4.504 4.439 4.551 0.051 6 0 "[ . 1]" 1
367 1 34 SER QB 1 35 GLN H 3.150 . 4.500 3.328 2.879 3.733 . 0 0 "[ . 1]" 1
368 1 34 SER HA 1 35 GLN H 2.300 . 2.800 2.169 2.126 2.220 . 0 0 "[ . 1]" 1
369 1 34 SER HG 1 35 GLN H 3.150 . 4.500 4.096 2.580 5.090 0.590 1 1 "[+ . 1]" 1
370 1 35 GLN H 1 35 GLN QG 3.150 . 4.500 4.075 4.029 4.116 . 0 0 "[ . 1]" 1
371 1 35 GLN H 1 36 SER QB 3.400 . 5.000 5.311 4.889 5.896 0.896 10 3 "[ -* +]" 1
372 1 35 GLN H 1 35 GLN QB 2.900 . 3.500 2.304 2.275 2.348 . 0 0 "[ . 1]" 1
373 1 35 GLN H 1 36 SER H 2.300 . 2.800 4.125 3.878 4.559 1.759 6 10 [*****+-***] 1
374 1 35 GLN H 1 35 GLN HA 2.650 . 3.500 2.893 2.876 2.915 . 0 0 "[ . 1]" 1
375 1 35 GLN HA 1 35 GLN QB 2.650 . 3.500 2.398 2.343 2.445 . 0 0 "[ . 1]" 1
376 1 35 GLN HA 1 35 GLN QG 3.150 . 4.500 2.927 2.788 3.015 . 0 0 "[ . 1]" 1
377 1 35 GLN QE 1 40 HIS H 3.150 . 3.500 3.991 3.104 4.775 1.275 5 4 "[ *+- *1]" 1
378 1 35 GLN QB 1 35 GLN QE 3.750 . 5.700 2.368 1.812 2.778 . 0 0 "[ . 1]" 1
379 1 35 GLN QE 1 43 ILE MD 3.150 . 4.500 3.520 2.517 4.144 . 0 0 "[ . 1]" 1
380 1 35 GLN QE 1 35 GLN QG 2.650 . 3.500 2.384 2.184 2.701 . 0 0 "[ . 1]" 1
381 1 36 SER H 1 38 HIS H 3.150 . 4.500 4.665 4.439 4.938 0.438 4 0 "[ . 1]" 1
382 1 36 SER H 1 36 SER HA 2.650 . 3.500 2.914 2.906 2.937 . 0 0 "[ . 1]" 1
383 1 36 SER H 1 36 SER HG 3.750 . 5.700 3.095 2.309 4.555 . 0 0 "[ . 1]" 1
384 1 30 GLN QE 1 36 SER H 3.150 . 4.500 3.403 2.645 4.032 . 0 0 "[ . 1]" 1
385 1 34 SER QB 1 36 SER H 3.150 . 4.500 4.347 3.682 5.313 0.813 6 1 "[ .+ 1]" 1
386 1 35 GLN QB 1 36 SER H 3.150 . 4.500 3.917 3.580 3.995 . 0 0 "[ . 1]" 1
387 1 36 SER H 1 36 SER QB 2.900 . 4.000 2.406 2.128 2.640 . 0 0 "[ . 1]" 1
388 1 36 SER HA 1 36 SER QB 2.300 . 2.800 2.235 2.165 2.360 . 0 0 "[ . 1]" 1
389 1 36 SER HA 1 37 PRO HA 2.650 . 3.500 4.437 4.418 4.458 0.958 8 10 [*******+*-] 1
390 1 37 PRO HA 1 37 PRO HB3 2.650 . 3.500 2.308 2.267 2.332 . 0 0 "[ . 1]" 1
391 1 37 PRO HA 1 37 PRO QD 3.150 . 4.500 3.092 2.926 3.221 . 0 0 "[ . 1]" 1
392 1 37 PRO HB2 1 37 PRO QD 3.150 . 4.500 3.210 2.995 3.515 . 0 0 "[ . 1]" 1
393 1 30 GLN QG 1 37 PRO QD 3.750 . 5.700 5.245 4.808 5.849 0.149 5 0 "[ . 1]" 1
394 1 37 PRO HB2 1 38 HIS H 3.150 . 4.500 2.680 2.361 3.156 . 0 0 "[ . 1]" 1
395 1 36 SER HA 1 38 HIS H 2.650 . 3.500 4.272 4.096 4.488 0.988 4 10 [***+****-*] 1
396 1 37 PRO QG 1 38 HIS H 2.650 . 3.500 3.579 2.817 3.936 0.436 7 0 "[ . 1]" 1
397 1 37 PRO QD 1 38 HIS H 3.150 . 4.500 3.294 3.102 3.469 . 0 0 "[ . 1]" 1
398 1 37 PRO HA 1 38 HIS H 2.650 . 3.500 3.539 3.497 3.571 0.071 4 0 "[ . 1]" 1
399 1 30 GLN QE 1 38 HIS H 2.900 . 3.500 4.282 3.258 5.557 2.057 3 5 "[*-+ . **1]" 1
400 1 38 HIS H 1 38 HIS HB3 2.650 . 3.500 3.632 3.570 3.663 0.163 9 0 "[ . 1]" 1
401 1 38 HIS H 1 38 HIS HA 2.650 . 3.500 2.901 2.882 2.918 . 0 0 "[ . 1]" 1
402 1 38 HIS H 1 38 HIS HB2 2.650 . 3.500 2.510 2.306 2.663 . 0 0 "[ . 1]" 1
403 1 38 HIS HA 1 38 HIS HB2 2.650 . 3.500 3.028 3.017 3.033 . 0 0 "[ . 1]" 1
404 1 38 HIS HA 1 38 HIS HB3 2.650 . 3.500 2.469 2.389 2.589 . 0 0 "[ . 1]" 1
405 1 37 PRO HA 1 38 HIS HA 3.400 . 5.000 4.666 4.643 4.697 . 0 0 "[ . 1]" 1
406 1 39 ALA H 1 39 ALA MB 2.650 . 3.500 2.251 2.240 2.276 . 0 0 "[ . 1]" 1
407 1 39 ALA H 1 40 HIS H 3.150 . 4.500 4.655 4.633 4.675 0.175 6 0 "[ . 1]" 1
408 1 38 HIS HA 1 39 ALA H 2.300 . 2.800 2.149 2.117 2.169 . 0 0 "[ . 1]" 1
409 1 39 ALA H 1 39 ALA HA 2.650 . 3.500 2.847 2.822 2.876 . 0 0 "[ . 1]" 1
410 1 38 HIS HB2 1 39 ALA H 3.150 . 4.500 4.357 4.284 4.502 0.002 1 0 "[ . 1]" 1
411 1 38 HIS HD2 1 39 ALA H 3.750 . 5.700 4.491 4.132 4.746 . 0 0 "[ . 1]" 1
412 1 38 HIS HB3 1 39 ALA H 3.150 . 4.500 3.709 3.517 3.890 . 0 0 "[ . 1]" 1
413 1 40 HIS H 1 40 HIS HB3 2.650 . 3.500 3.410 3.298 3.568 0.068 4 0 "[ . 1]" 1
414 1 40 HIS H 1 42 TYR H 3.750 . 5.700 5.032 4.901 5.149 . 0 0 "[ . 1]" 1
415 1 40 HIS H 1 43 ILE MD 3.750 . 5.700 4.222 3.970 4.619 . 0 0 "[ . 1]" 1
416 1 35 GLN QB 1 40 HIS H 3.400 . 5.000 6.583 5.878 7.011 2.011 6 10 [*****+*-**] 1
417 1 40 HIS H 1 41 GLY H 3.150 . 4.500 4.235 4.182 4.296 . 0 0 "[ . 1]" 1
418 1 39 ALA MB 1 40 HIS H 3.150 . 4.500 2.740 2.634 2.819 . 0 0 "[ . 1]" 1
419 1 40 HIS H 1 40 HIS HD2 3.400 . 5.000 4.653 3.621 5.231 0.231 2 0 "[ . 1]" 1
420 1 40 HIS H 1 40 HIS HE1 3.750 . 5.700 4.433 4.044 4.984 . 0 0 "[ . 1]" 1
421 1 39 ALA HA 1 40 HIS H 2.300 . 2.800 2.298 2.262 2.345 . 0 0 "[ . 1]" 1
422 1 40 HIS H 1 41 GLY HA3 3.750 . 5.700 5.599 5.549 5.649 . 0 0 "[ . 1]" 1
423 1 40 HIS H 1 40 HIS HB2 3.150 . 4.500 3.884 3.839 3.928 . 0 0 "[ . 1]" 1
424 1 40 HIS H 1 40 HIS HA 2.650 . 3.500 2.894 2.887 2.913 . 0 0 "[ . 1]" 1
425 1 40 HIS HA 1 40 HIS HB3 2.650 . 3.500 2.412 2.341 2.438 . 0 0 "[ . 1]" 1
426 1 40 HIS HA 1 40 HIS HB2 2.650 . 3.500 2.494 2.462 2.574 . 0 0 "[ . 1]" 1
427 1 41 GLY H 1 42 TYR H 2.650 . 3.500 2.526 2.401 2.598 . 0 0 "[ . 1]" 1
428 1 41 GLY H 1 41 GLY HA3 2.300 . 2.800 2.364 2.347 2.381 . 0 0 "[ . 1]" 1
429 1 41 GLY H 1 42 TYR HB2 3.750 . 5.700 4.473 4.336 4.692 . 0 0 "[ . 1]" 1
430 1 40 HIS HB3 1 41 GLY H 3.150 . 4.500 3.968 3.776 4.120 . 0 0 "[ . 1]" 1
431 1 41 GLY H 1 41 GLY HA2 2.300 . 2.800 2.921 2.907 2.934 0.134 2 0 "[ . 1]" 1
432 1 40 HIS HB2 1 41 GLY H 3.150 . 4.500 2.971 2.729 3.164 . 0 0 "[ . 1]" 1
433 1 41 GLY H 1 69 PHE HZ 3.150 . 4.500 3.966 3.757 4.647 0.147 4 0 "[ . 1]" 1
434 1 41 GLY H 1 42 TYR QD 2.650 . 3.500 3.083 2.895 3.516 0.016 8 0 "[ . 1]" 1
435 1 41 GLY HA2 1 43 ILE MD 3.150 . 4.500 3.525 3.351 3.799 . 0 0 "[ . 1]" 1
436 1 41 GLY HA3 1 43 ILE MD 3.750 . 5.700 4.898 4.733 5.133 . 0 0 "[ . 1]" 1
437 1 42 TYR H 1 43 ILE QG 3.750 . 5.700 4.231 4.140 4.466 . 0 0 "[ . 1]" 1
438 1 42 TYR H 1 42 TYR HA 2.650 . 3.500 2.913 2.898 2.928 . 0 0 "[ . 1]" 1
439 1 40 HIS HB2 1 42 TYR H 3.150 . 4.500 2.541 2.359 2.644 . 0 0 "[ . 1]" 1
440 1 42 TYR H 1 42 TYR HB3 3.150 . 4.500 3.596 3.537 3.674 . 0 0 "[ . 1]" 1
441 1 41 GLY HA3 1 42 TYR H 3.150 . 4.500 3.299 3.254 3.343 . 0 0 "[ . 1]" 1
442 1 32 TRP HE3 1 42 TYR H 3.750 . 5.700 4.993 4.551 5.571 . 0 0 "[ . 1]" 1
443 1 40 HIS HD2 1 42 TYR H 2.650 . 3.500 3.047 2.464 3.920 0.420 2 0 "[ . 1]" 1
444 1 42 TYR H 1 43 ILE MD 3.750 . 5.700 3.922 3.795 4.123 . 0 0 "[ . 1]" 1
445 1 42 TYR H 1 42 TYR HB2 2.650 . 3.500 2.350 2.279 2.501 . 0 0 "[ . 1]" 1
446 1 40 HIS HB3 1 42 TYR H 3.150 . 4.500 4.239 4.071 4.326 . 0 0 "[ . 1]" 1
447 1 40 HIS HE1 1 42 TYR H 3.400 . 5.000 6.640 6.431 6.840 1.840 4 10 [*-*+******] 1
448 1 42 TYR H 1 42 TYR QD 2.650 . 3.500 2.461 2.291 2.812 . 0 0 "[ . 1]" 1
449 1 42 TYR H 1 69 PHE HZ 3.750 . 5.700 4.332 3.590 5.893 0.193 4 0 "[ . 1]" 1
450 1 42 TYR HA 1 47 PHE QE 2.650 . 3.500 3.514 2.100 5.151 1.651 9 2 "[ . +-]" 1
451 1 42 TYR HA 1 42 TYR HB2 2.650 . 3.500 3.005 2.977 3.022 . 0 0 "[ . 1]" 1
452 1 32 TRP HE3 1 42 TYR HB3 3.150 . 4.500 3.433 2.890 4.107 . 0 0 "[ . 1]" 1
453 1 42 TYR HA 1 42 TYR HB3 2.650 . 3.500 2.574 2.470 2.661 . 0 0 "[ . 1]" 1
454 1 42 TYR HB2 1 42 TYR QD 2.650 . 3.500 2.522 2.453 2.679 . 0 0 "[ . 1]" 1
455 1 42 TYR HB2 1 69 PHE QE 3.150 . 4.500 2.849 2.225 4.516 0.016 4 0 "[ . 1]" 1
456 1 42 TYR QE 1 67 TRP HH2 3.150 . 4.500 3.072 2.722 3.274 . 0 0 "[ . 1]" 1
457 1 43 ILE H 1 43 ILE MD 3.150 . 4.500 3.005 2.928 3.145 . 0 0 "[ . 1]" 1
458 1 42 TYR HA 1 43 ILE H 2.650 . 3.500 2.476 2.382 2.521 . 0 0 "[ . 1]" 1
459 1 43 ILE H 1 46 LYS H 3.750 . 5.700 4.921 4.776 5.186 . 0 0 "[ . 1]" 1
460 1 43 ILE H 1 47 PHE QE 2.650 . 3.500 4.708 3.109 6.710 3.210 9 8 "[ -*** **+*]" 1
461 1 43 ILE H 1 43 ILE HA 2.650 . 3.500 2.843 2.832 2.851 . 0 0 "[ . 1]" 1
462 1 43 ILE H 1 46 LYS QE 3.750 . 5.700 4.468 2.801 6.066 0.366 8 0 "[ . 1]" 1
463 1 43 ILE H 1 44 PRO HA 3.750 . 5.700 5.671 5.600 5.710 0.010 6 0 "[ . 1]" 1
464 1 43 ILE H 1 43 ILE HB 2.300 . 2.800 2.627 2.564 2.696 . 0 0 "[ . 1]" 1
465 1 43 ILE H 1 43 ILE QG 2.650 . 3.500 1.961 1.877 2.088 . 0 0 "[ . 1]" 1
466 1 43 ILE H 1 44 PRO HD3 3.750 . 5.700 4.537 4.470 4.785 . 0 0 "[ . 1]" 1
467 1 41 GLY HA2 1 43 ILE H 3.150 . 4.500 3.927 3.841 4.174 . 0 0 "[ . 1]" 1
468 1 41 GLY HA3 1 43 ILE H 3.150 . 4.500 4.638 4.511 4.796 0.296 1 0 "[ . 1]" 1
469 1 42 TYR H 1 43 ILE H 2.650 . 3.500 3.569 3.493 3.768 0.268 1 0 "[ . 1]" 1
470 1 42 TYR HB3 1 43 ILE H 3.150 . 4.500 4.294 4.220 4.333 . 0 0 "[ . 1]" 1
471 1 43 ILE HB 1 43 ILE MD 3.150 . 4.500 3.239 3.235 3.243 . 0 0 "[ . 1]" 1
472 1 43 ILE HB 1 46 LYS HB3 3.150 . 4.500 4.858 4.305 5.175 0.675 4 3 "[ +- *1]" 1
473 1 43 ILE HB 1 43 ILE QG 2.650 . 3.500 2.187 2.185 2.190 . 0 0 "[ . 1]" 1
474 1 43 ILE QG 1 43 ILE MG 3.150 . 4.500 2.300 2.268 2.371 . 0 0 "[ . 1]" 1
475 1 43 ILE QG 1 46 LYS QD 3.150 . 4.500 3.625 2.565 5.271 0.771 8 2 "[ - . + 1]" 1
476 1 43 ILE HA 1 43 ILE MD 3.750 . 5.700 2.146 2.059 2.221 . 0 0 "[ . 1]" 1
477 1 43 ILE MG 1 44 PRO HD3 3.150 . 4.500 3.228 3.110 3.544 . 0 0 "[ . 1]" 1
478 1 43 ILE HA 1 43 ILE MG 3.150 . 4.500 2.349 2.307 2.436 . 0 0 "[ . 1]" 1
479 1 43 ILE MD 1 43 ILE MG 3.150 . 4.500 1.956 1.814 2.055 . 0 0 "[ . 1]" 1
480 1 44 PRO HA 1 44 PRO HB3 2.650 . 3.500 2.298 2.288 2.307 . 0 0 "[ . 1]" 1
481 1 44 PRO HA 1 44 PRO HD3 3.150 . 4.500 3.677 3.571 3.739 . 0 0 "[ . 1]" 1
482 1 44 PRO HA 1 52 LEU HB2 3.150 . 4.500 2.885 2.360 3.423 . 0 0 "[ . 1]" 1
483 1 44 PRO HB3 1 44 PRO HG2 2.300 . 2.800 2.675 2.631 2.977 0.177 3 0 "[ . 1]" 1
484 1 44 PRO HB2 1 45 SER H 3.150 . 4.500 2.982 2.765 3.671 . 0 0 "[ . 1]" 1
485 1 45 SER H 1 46 LYS HB2 3.150 . 4.500 4.758 4.394 5.064 0.564 10 2 "[ - +]" 1
486 1 44 PRO HA 1 45 SER H 2.650 . 3.500 3.480 3.402 3.507 0.007 8 0 "[ . 1]" 1
487 1 45 SER H 1 45 SER HA 2.650 . 3.500 2.828 2.805 2.859 . 0 0 "[ . 1]" 1
488 1 45 SER H 1 45 SER QB 2.300 . 2.800 2.698 2.609 2.813 0.013 10 0 "[ . 1]" 1
489 1 43 ILE MG 1 45 SER H 3.150 . 4.500 1.769 1.656 1.935 0.144 3 0 "[ . 1]" 1
490 1 45 SER H 1 45 SER HG 2.650 . 3.500 2.947 2.480 3.369 . 0 0 "[ . 1]" 1
491 1 45 SER H 1 46 LYS H 2.650 . 3.500 2.603 2.502 2.696 . 0 0 "[ . 1]" 1
492 1 44 PRO HD2 1 45 SER H 3.150 . 4.500 2.837 2.730 2.970 . 0 0 "[ . 1]" 1
493 1 45 SER H 1 47 PHE H 3.150 . 4.500 4.560 3.974 4.801 0.301 10 0 "[ . 1]" 1
494 1 43 ILE HB 1 45 SER H 3.150 . 4.500 3.585 3.448 3.784 . 0 0 "[ . 1]" 1
495 1 44 PRO HB3 1 45 SER H 3.150 . 4.500 4.165 4.062 4.319 . 0 0 "[ . 1]" 1
496 1 45 SER HA 1 45 SER QB 2.300 . 2.800 2.252 2.197 2.295 . 0 0 "[ . 1]" 1
497 1 46 LYS H 1 46 LYS HB3 2.650 . 3.500 3.573 3.224 3.670 0.170 1 0 "[ . 1]" 1
498 1 46 LYS H 1 47 PHE HA 3.750 . 5.700 5.004 4.826 5.117 . 0 0 "[ . 1]" 1
499 1 46 LYS H 1 47 PHE H 2.650 . 3.500 2.473 2.309 2.600 . 0 0 "[ . 1]" 1
500 1 46 LYS H 1 46 LYS HA 2.300 . 2.800 2.904 2.878 2.935 0.135 1 0 "[ . 1]" 1
501 1 46 LYS H 1 46 LYS HB2 2.300 . 2.800 2.415 2.149 2.570 . 0 0 "[ . 1]" 1
502 1 46 LYS H 1 46 LYS HG3 2.650 . 3.500 3.128 2.228 4.446 0.946 6 3 "[ *.+ - 1]" 1
503 1 46 LYS H 1 46 LYS HG2 2.650 . 3.500 3.621 2.595 4.477 0.977 6 2 "[ -.+ 1]" 1
504 1 46 LYS HA 1 46 LYS QD 3.750 . 5.700 3.290 1.883 4.236 . 0 0 "[ . 1]" 1
505 1 46 LYS HA 1 46 LYS HB2 2.650 . 3.500 2.996 2.848 3.030 . 0 0 "[ . 1]" 1
506 1 46 LYS HB2 1 46 LYS HG2 2.650 . 3.500 2.773 2.396 3.012 . 0 0 "[ . 1]" 1
507 1 46 LYS HB2 1 46 LYS QD 3.150 . 4.500 2.524 2.170 3.320 . 0 0 "[ . 1]" 1
508 1 46 LYS HB2 1 47 PHE QD 3.750 . 5.700 3.314 2.375 3.863 . 0 0 "[ . 1]" 1
509 1 46 LYS QD 1 46 LYS HG2 2.650 . 3.500 2.359 2.295 2.500 . 0 0 "[ . 1]" 1
510 1 46 LYS HA 1 46 LYS HG3 3.150 . 4.500 3.045 2.424 3.719 . 0 0 "[ . 1]" 1
511 1 46 LYS QE 1 46 LYS HG2 2.650 . 3.500 2.530 2.213 2.989 . 0 0 "[ . 1]" 1
512 1 47 PHE H 1 48 PRO HD2 3.150 . 4.500 4.368 3.391 4.856 0.356 3 0 "[ . 1]" 1
513 1 46 LYS HB3 1 47 PHE H 3.150 . 4.500 3.422 2.694 4.347 . 0 0 "[ . 1]" 1
514 1 46 LYS HA 1 47 PHE H 2.650 . 3.500 3.533 3.130 3.596 0.096 7 0 "[ . 1]" 1
515 1 46 LYS HB2 1 47 PHE H 2.900 . 4.000 2.639 2.333 3.709 . 0 0 "[ . 1]" 1
516 1 46 LYS HG3 1 47 PHE H 3.400 . 5.000 4.491 4.059 4.987 . 0 0 "[ . 1]" 1
517 1 47 PHE H 1 48 PRO HA 3.150 . 4.500 4.641 4.174 4.786 0.286 6 0 "[ . 1]" 1
518 1 44 PRO HA 1 47 PHE H 3.150 . 4.500 3.504 3.383 3.649 . 0 0 "[ . 1]" 1
519 1 47 PHE H 1 48 PRO HD3 3.150 . 4.500 3.348 2.203 3.594 . 0 0 "[ . 1]" 1
520 1 47 PHE H 1 47 PHE HB3 3.150 . 4.500 3.822 3.769 4.036 . 0 0 "[ . 1]" 1
521 1 47 PHE H 1 47 PHE QD 3.150 . 4.500 2.964 2.383 3.856 . 0 0 "[ . 1]" 1
522 1 47 PHE H 1 47 PHE HA 2.650 . 3.500 2.939 2.864 2.950 . 0 0 "[ . 1]" 1
523 1 47 PHE H 1 47 PHE HB2 2.650 . 3.500 2.878 2.667 3.100 . 0 0 "[ . 1]" 1
524 1 47 PHE HA 1 48 PRO HD2 2.650 . 3.500 2.328 2.113 2.703 . 0 0 "[ . 1]" 1
525 1 47 PHE HA 1 48 PRO HD3 2.650 . 3.500 2.640 2.194 3.080 . 0 0 "[ . 1]" 1
526 1 47 PHE HA 1 47 PHE HB3 2.650 . 3.500 2.363 2.284 2.459 . 0 0 "[ . 1]" 1
527 1 47 PHE HA 1 48 PRO HG2 3.750 . 5.700 4.462 4.302 4.657 . 0 0 "[ . 1]" 1
528 1 47 PHE HA 1 47 PHE QD 2.650 . 3.500 2.835 2.240 3.121 . 0 0 "[ . 1]" 1
529 1 47 PHE HB3 1 47 PHE QD 2.650 . 3.500 2.486 2.362 2.688 . 0 0 "[ . 1]" 1
530 1 47 PHE HB2 1 47 PHE QD 2.650 . 3.500 2.326 2.254 2.410 . 0 0 "[ . 1]" 1
531 1 48 PRO HA 1 48 PRO HB3 2.650 . 3.500 2.311 2.268 2.325 . 0 0 "[ . 1]" 1
532 1 48 PRO HA 1 48 PRO HD3 3.150 . 4.500 3.786 3.687 3.969 . 0 0 "[ . 1]" 1
533 1 48 PRO HD3 1 48 PRO HG2 2.650 . 3.500 2.908 2.682 2.973 . 0 0 "[ . 1]" 1
534 1 48 PRO HD2 1 48 PRO HG2 2.650 . 3.500 2.293 2.278 2.330 . 0 0 "[ . 1]" 1
535 1 48 PRO HG3 1 49 ASN H 3.150 . 4.500 4.398 4.160 4.606 0.106 5 0 "[ . 1]" 1
536 1 49 ASN H 1 51 ASN H 3.750 . 5.700 4.211 4.049 4.355 . 0 0 "[ . 1]" 1
537 1 47 PHE HA 1 49 ASN H 3.150 . 4.500 3.146 3.103 3.193 . 0 0 "[ . 1]" 1
538 1 48 PRO HB3 1 49 ASN H 3.150 . 4.500 4.390 4.295 4.457 . 0 0 "[ . 1]" 1
539 1 48 PRO HD2 1 49 ASN H 3.150 . 4.500 2.561 2.396 2.787 . 0 0 "[ . 1]" 1
540 1 49 ASN H 1 49 ASN HB3 2.650 . 3.500 2.619 2.568 2.798 . 0 0 "[ . 1]" 1
541 1 48 PRO HG2 1 49 ASN H 2.650 . 3.500 3.328 2.844 4.291 0.791 5 2 "[ - + 1]" 1
542 1 49 ASN H 1 49 ASN HB2 2.650 . 3.500 3.645 3.624 3.689 0.189 1 0 "[ . 1]" 1
543 1 49 ASN H 1 50 LYS H 2.650 . 3.500 2.534 2.484 2.623 . 0 0 "[ . 1]" 1
544 1 48 PRO HD3 1 49 ASN H 3.150 . 4.500 3.748 3.565 3.906 . 0 0 "[ . 1]" 1
545 1 49 ASN H 1 49 ASN HA 2.650 . 3.500 2.887 2.866 2.921 . 0 0 "[ . 1]" 1
546 1 48 PRO HA 1 49 ASN H 2.650 . 3.500 3.349 3.317 3.411 . 0 0 "[ . 1]" 1
547 1 49 ASN H 1 50 LYS HG2 3.750 . 5.700 4.108 3.908 4.341 . 0 0 "[ . 1]" 1
548 1 49 ASN HA 1 49 ASN HB3 2.650 . 3.500 2.498 2.470 2.535 . 0 0 "[ . 1]" 1
549 1 49 ASN HA 1 49 ASN HB2 2.300 . 2.800 2.404 2.368 2.430 . 0 0 "[ . 1]" 1
550 1 49 ASN HA 1 50 LYS H 2.650 . 3.500 3.284 3.135 3.390 . 0 0 "[ . 1]" 1
551 1 49 ASN HB3 1 50 LYS H 3.150 . 4.500 4.318 4.211 4.469 . 0 0 "[ . 1]" 1
552 1 47 PHE HB2 1 50 LYS H 3.150 . 4.500 4.153 3.771 4.649 0.149 1 0 "[ . 1]" 1
553 1 47 PHE HA 1 50 LYS H 3.750 . 5.700 4.660 4.177 4.882 . 0 0 "[ . 1]" 1
554 1 50 LYS H 1 50 LYS HG2 2.650 . 3.500 2.950 2.618 3.151 . 0 0 "[ . 1]" 1
555 1 50 LYS H 1 50 LYS HB3 2.650 . 3.500 3.662 3.638 3.704 0.204 3 0 "[ . 1]" 1
556 1 50 LYS H 1 50 LYS HB2 2.300 . 2.800 2.452 2.406 2.513 . 0 0 "[ . 1]" 1
557 1 50 LYS H 1 50 LYS HA 2.650 . 3.500 2.936 2.929 2.945 . 0 0 "[ . 1]" 1
558 1 50 LYS H 1 51 ASN H 2.650 . 3.500 2.259 2.165 2.344 . 0 0 "[ . 1]" 1
559 1 50 LYS H 1 50 LYS HG3 3.150 . 4.500 4.119 3.916 4.272 . 0 0 "[ . 1]" 1
560 1 50 LYS H 1 52 LEU H 3.150 . 4.500 3.891 3.685 4.140 . 0 0 "[ . 1]" 1
561 1 50 LYS HA 1 50 LYS HG2 3.150 . 4.500 2.933 2.803 3.055 . 0 0 "[ . 1]" 1
562 1 50 LYS HA 1 50 LYS HB3 2.300 . 2.800 2.538 2.481 2.576 . 0 0 "[ . 1]" 1
563 1 50 LYS HA 1 50 LYS HB2 2.650 . 3.500 3.013 3.002 3.024 . 0 0 "[ . 1]" 1
564 1 50 LYS HG2 1 60 PRO HB3 3.150 . 4.500 4.674 3.803 5.204 0.704 1 4 "[+ *.*- 1]" 1
565 1 47 PHE HB3 1 50 LYS HG2 3.150 . 4.500 3.170 2.730 3.594 . 0 0 "[ . 1]" 1
566 1 50 LYS QD 1 50 LYS HG2 2.300 . 2.800 2.363 2.324 2.457 . 0 0 "[ . 1]" 1
567 1 50 LYS HB2 1 50 LYS HG2 2.300 . 2.800 2.464 2.428 2.502 . 0 0 "[ . 1]" 1
568 1 50 LYS HA 1 50 LYS QD 3.150 . 4.500 1.947 1.835 2.046 . 0 0 "[ . 1]" 1
569 1 51 ASN H 1 51 ASN HA 2.300 . 2.800 2.266 2.259 2.271 . 0 0 "[ . 1]" 1
570 1 51 ASN H 1 52 LEU H 2.650 . 3.500 2.909 2.752 3.053 . 0 0 "[ . 1]" 1
571 1 50 LYS HB2 1 51 ASN H 3.150 . 4.500 3.680 3.501 3.739 . 0 0 "[ . 1]" 1
572 1 51 ASN H 1 51 ASN HB3 2.900 . 4.000 3.687 3.624 3.743 . 0 0 "[ . 1]" 1
573 1 51 ASN HA 1 51 ASN HB3 2.650 . 3.500 3.015 3.002 3.023 . 0 0 "[ . 1]" 1
574 1 51 ASN HA 1 51 ASN HB2 2.650 . 3.500 2.553 2.513 2.595 . 0 0 "[ . 1]" 1
575 1 52 LEU H 1 52 LEU QD 3.150 . 4.500 2.906 2.430 3.580 . 0 0 "[ . 1]" 1
576 1 52 LEU H 1 53 LYS H 3.150 . 4.500 3.996 3.631 4.198 . 0 0 "[ . 1]" 1
577 1 44 PRO HB3 1 52 LEU H 3.750 . 5.700 4.157 3.733 4.821 . 0 0 "[ . 1]" 1
578 1 44 PRO HB2 1 52 LEU H 3.750 . 5.700 5.554 4.823 6.062 0.362 1 0 "[ . 1]" 1
579 1 52 LEU H 1 53 LYS QE 3.150 . 4.500 4.016 3.458 4.389 . 0 0 "[ . 1]" 1
580 1 52 LEU H 1 52 LEU HB3 2.650 . 3.500 3.343 2.907 3.571 0.071 10 0 "[ . 1]" 1
581 1 52 LEU H 1 52 LEU HG 3.150 . 4.500 4.296 3.746 4.624 0.124 8 0 "[ . 1]" 1
582 1 51 ASN HB3 1 52 LEU H 3.150 . 4.500 4.350 4.302 4.399 . 0 0 "[ . 1]" 1
583 1 52 LEU H 1 52 LEU HB2 2.300 . 2.800 2.220 2.148 2.372 . 0 0 "[ . 1]" 1
584 1 51 ASN HA 1 52 LEU H 2.300 . 2.800 2.562 2.467 2.671 . 0 0 "[ . 1]" 1
585 1 52 LEU H 1 52 LEU HA 2.650 . 3.500 2.906 2.899 2.910 . 0 0 "[ . 1]" 1
586 1 44 PRO HG3 1 52 LEU HB3 3.150 . 4.500 2.591 2.122 3.922 . 0 0 "[ . 1]" 1
587 1 42 TYR HA 1 52 LEU QD 3.750 . 5.700 4.390 4.136 4.550 . 0 0 "[ . 1]" 1
588 1 42 TYR HB3 1 52 LEU QD 3.750 . 5.700 2.980 2.847 3.159 . 0 0 "[ . 1]" 1
589 1 42 TYR HB2 1 52 LEU QD 3.750 . 5.700 4.117 3.822 4.357 . 0 0 "[ . 1]" 1
590 1 42 TYR QD 1 52 LEU QD 3.150 . 4.500 3.607 3.310 4.049 . 0 0 "[ . 1]" 1
591 1 52 LEU QD 1 58 ARG HG3 3.150 . 4.500 3.288 2.262 4.374 . 0 0 "[ . 1]" 1
592 1 52 LEU HA 1 52 LEU QD 3.150 . 4.500 2.322 2.004 2.940 . 0 0 "[ . 1]" 1
593 1 52 LEU QD 1 58 ARG QB 3.150 . 4.500 3.179 2.534 4.417 . 0 0 "[ . 1]" 1
594 1 52 LEU QD 1 60 PRO HB2 3.150 . 4.500 3.347 2.951 3.639 . 0 0 "[ . 1]" 1
595 1 53 LYS H 1 53 LYS HG3 3.150 . 4.500 4.116 3.876 4.276 . 0 0 "[ . 1]" 1
596 1 53 LYS H 1 53 LYS HG2 3.150 . 4.500 2.868 2.541 3.160 . 0 0 "[ . 1]" 1
597 1 53 LYS H 1 53 LYS HB2 2.300 . 2.800 2.669 2.513 2.777 . 0 0 "[ . 1]" 1
598 1 53 LYS H 1 53 LYS HA 2.650 . 3.500 2.944 2.924 2.954 . 0 0 "[ . 1]" 1
599 1 32 TRP HE1 1 53 LYS H 3.750 . 5.700 5.083 4.428 5.583 . 0 0 "[ . 1]" 1
600 1 53 LYS H 1 58 ARG QD 3.750 . 5.700 4.634 3.020 5.529 . 0 0 "[ . 1]" 1
601 1 53 LYS H 1 56 TYR H 3.750 . 5.700 4.591 4.277 4.898 . 0 0 "[ . 1]" 1
602 1 52 LEU HA 1 53 LYS H 2.300 . 2.800 2.301 2.224 2.498 . 0 0 "[ . 1]" 1
603 1 52 LEU QD 1 53 LYS H 3.750 . 5.700 4.102 3.717 4.451 . 0 0 "[ . 1]" 1
604 1 53 LYS HA 1 53 LYS HB2 2.650 . 3.500 3.020 3.016 3.024 . 0 0 "[ . 1]" 1
605 1 53 LYS HA 1 53 LYS HB3 2.650 . 3.500 2.454 2.414 2.519 . 0 0 "[ . 1]" 1
606 1 53 LYS HB2 1 53 LYS QE 2.900 . 4.000 4.238 4.208 4.251 0.251 3 0 "[ . 1]" 1
607 1 53 LYS HB2 1 56 TYR QD 2.650 . 3.500 3.349 2.916 4.318 0.818 3 1 "[ + . 1]" 1
608 1 53 LYS QE 1 53 LYS HG2 2.650 . 3.500 2.410 2.341 2.508 . 0 0 "[ . 1]" 1
609 1 53 LYS QE 1 53 LYS HG3 2.650 . 3.500 2.379 2.273 2.453 . 0 0 "[ . 1]" 1
610 1 53 LYS HB3 1 53 LYS HG3 2.650 . 3.500 2.489 2.446 2.543 . 0 0 "[ . 1]" 1
611 1 53 LYS HA 1 53 LYS HG3 3.150 . 4.500 3.797 3.737 3.846 . 0 0 "[ . 1]" 1
612 1 53 LYS HB3 1 53 LYS QE 3.150 . 4.500 3.933 3.843 3.997 . 0 0 "[ . 1]" 1
613 1 53 LYS HA 1 54 LYS H 2.300 . 2.800 2.243 2.195 2.326 . 0 0 "[ . 1]" 1
614 1 54 LYS H 1 54 LYS HB2 3.150 . 4.500 3.520 3.462 3.547 . 0 0 "[ . 1]" 1
615 1 53 LYS HB3 1 54 LYS H 3.150 . 4.500 2.640 2.444 2.728 . 0 0 "[ . 1]" 1
616 1 53 LYS HB2 1 54 LYS H 2.650 . 3.500 3.746 3.618 3.878 0.378 6 0 "[ . 1]" 1
617 1 32 TRP HD1 1 54 LYS H 3.400 . 5.000 4.926 4.421 5.556 0.556 4 1 "[ +. 1]" 1
618 1 54 LYS H 1 55 ASN H 3.400 . 5.000 4.412 4.367 4.467 . 0 0 "[ . 1]" 1
619 1 54 LYS H 1 54 LYS QE 3.150 . 4.500 4.203 3.859 4.503 0.003 6 0 "[ . 1]" 1
620 1 54 LYS H 1 54 LYS HA 2.300 . 2.800 2.255 2.249 2.263 . 0 0 "[ . 1]" 1
621 1 54 LYS H 1 54 LYS HG2 2.650 . 3.500 2.705 2.487 2.854 . 0 0 "[ . 1]" 1
622 1 54 LYS HB3 1 54 LYS QD 3.150 . 4.500 2.326 2.171 2.442 . 0 0 "[ . 1]" 1
623 1 54 LYS HB2 1 54 LYS QD 3.150 . 4.500 3.275 3.049 3.310 . 0 0 "[ . 1]" 1
624 1 54 LYS HB3 1 56 TYR QE 3.750 . 5.700 4.061 3.861 4.261 . 0 0 "[ . 1]" 1
625 1 54 LYS HA 1 54 LYS HB2 2.650 . 3.500 3.021 3.017 3.025 . 0 0 "[ . 1]" 1
626 1 54 LYS HB2 1 54 LYS HG2 2.650 . 3.500 2.520 2.407 2.815 . 0 0 "[ . 1]" 1
627 1 54 LYS HB2 1 56 TYR QE 3.750 . 5.700 3.146 2.904 3.489 . 0 0 "[ . 1]" 1
628 1 54 LYS HA 1 54 LYS HB3 2.650 . 3.500 2.467 2.441 2.487 . 0 0 "[ . 1]" 1
629 1 54 LYS HB3 1 54 LYS HG3 2.650 . 3.500 2.511 2.401 2.806 . 0 0 "[ . 1]" 1
630 1 54 LYS QD 1 56 TYR QE 3.400 . 5.000 4.520 3.872 4.805 . 0 0 "[ . 1]" 1
631 1 54 LYS QD 1 54 LYS HG2 2.300 . 2.800 2.333 2.278 2.385 . 0 0 "[ . 1]" 1
632 1 54 LYS HA 1 54 LYS HG3 3.150 . 4.500 3.767 3.727 3.804 . 0 0 "[ . 1]" 1
633 1 54 LYS QD 1 55 ASN H 3.150 . 4.500 4.078 4.002 4.157 . 0 0 "[ . 1]" 1
634 1 32 TRP HD1 1 55 ASN H 3.750 . 5.700 4.358 3.925 5.386 . 0 0 "[ . 1]" 1
635 1 54 LYS QE 1 55 ASN H 3.750 . 5.700 5.539 5.421 5.613 . 0 0 "[ . 1]" 1
636 1 32 TRP HE1 1 55 ASN H 3.750 . 5.700 5.307 4.931 6.351 0.651 4 1 "[ +. 1]" 1
637 1 54 LYS HA 1 55 ASN H 2.650 . 3.500 3.340 3.299 3.398 . 0 0 "[ . 1]" 1
638 1 55 ASN H 1 55 ASN HA 2.650 . 3.500 2.891 2.880 2.902 . 0 0 "[ . 1]" 1
639 1 55 ASN H 1 55 ASN HB2 3.150 . 4.500 3.960 3.934 4.008 . 0 0 "[ . 1]" 1
640 1 31 ALA HA 1 55 ASN H 3.150 . 4.500 4.527 4.415 4.623 0.123 4 0 "[ . 1]" 1
641 1 31 ALA MB 1 55 ASN H 3.750 . 5.700 4.731 4.528 4.975 . 0 0 "[ . 1]" 1
642 1 55 ASN H 1 56 TYR HB3 3.750 . 5.700 5.205 5.179 5.227 . 0 0 "[ . 1]" 1
643 1 55 ASN H 1 55 ASN HB3 2.650 . 3.500 3.347 3.299 3.382 . 0 0 "[ . 1]" 1
644 1 55 ASN H 1 56 TYR QD 3.150 . 4.500 3.748 3.678 3.825 . 0 0 "[ . 1]" 1
645 1 55 ASN H 1 56 TYR H 2.650 . 3.500 2.172 2.140 2.200 . 0 0 "[ . 1]" 1
646 1 55 ASN H 1 56 TYR QE 3.750 . 5.700 4.187 4.060 4.308 . 0 0 "[ . 1]" 1
647 1 54 LYS HB2 1 55 ASN H 2.650 . 3.500 1.850 1.776 1.972 0.024 6 0 "[ . 1]" 1
648 1 54 LYS HB3 1 55 ASN H 2.300 . 2.800 2.065 1.922 2.255 . 0 0 "[ . 1]" 1
649 1 31 ALA MB 1 55 ASN HA 3.400 . 5.000 3.809 3.462 4.079 . 0 0 "[ . 1]" 1
650 1 55 ASN HA 1 55 ASN HB2 2.650 . 3.500 2.431 2.395 2.458 . 0 0 "[ . 1]" 1
651 1 55 ASN HA 1 55 ASN HB3 2.650 . 3.500 2.483 2.459 2.518 . 0 0 "[ . 1]" 1
652 1 54 LYS HB2 1 56 TYR H 3.150 . 4.500 3.056 2.965 3.132 . 0 0 "[ . 1]" 1
653 1 56 TYR H 1 57 CYS HA 3.750 . 5.700 5.450 5.406 5.483 . 0 0 "[ . 1]" 1
654 1 55 ASN HB3 1 56 TYR H 3.150 . 4.500 4.573 4.544 4.597 0.097 6 0 "[ . 1]" 1
655 1 56 TYR H 1 58 ARG HG2 3.750 . 5.700 4.940 4.630 5.235 . 0 0 "[ . 1]" 1
656 1 56 TYR H 1 56 TYR QD 2.650 . 3.500 3.186 3.018 3.321 . 0 0 "[ . 1]" 1
657 1 55 ASN HB2 1 56 TYR H 3.150 . 4.500 4.488 4.460 4.511 0.011 2 0 "[ . 1]" 1
658 1 56 TYR H 1 56 TYR HA 2.650 . 3.500 2.880 2.871 2.889 . 0 0 "[ . 1]" 1
659 1 56 TYR H 1 56 TYR HB2 2.650 . 3.500 2.520 2.470 2.555 . 0 0 "[ . 1]" 1
660 1 21 SER HA 1 56 TYR H 3.750 . 5.700 5.074 5.005 5.130 . 0 0 "[ . 1]" 1
661 1 54 LYS H 1 56 TYR H 3.750 . 5.700 5.217 5.099 5.312 . 0 0 "[ . 1]" 1
662 1 54 LYS HG2 1 56 TYR H 3.750 . 5.700 5.372 5.158 5.650 . 0 0 "[ . 1]" 1
663 1 56 TYR H 1 57 CYS H 3.150 . 4.500 4.590 4.573 4.606 0.106 6 0 "[ . 1]" 1
664 1 54 LYS HA 1 56 TYR H 3.150 . 4.500 4.951 4.891 5.012 0.512 2 1 "[ + . 1]" 1
665 1 32 TRP HD1 1 56 TYR H 2.650 . 3.500 3.428 3.119 4.092 0.592 4 1 "[ +. 1]" 1
666 1 54 LYS HB3 1 56 TYR H 3.150 . 4.500 4.106 3.919 4.301 . 0 0 "[ . 1]" 1
667 1 56 TYR H 1 56 TYR HB3 2.650 . 3.500 3.624 3.609 3.634 0.134 4 0 "[ . 1]" 1
668 1 55 ASN HA 1 56 TYR H 2.650 . 3.500 2.832 2.818 2.847 . 0 0 "[ . 1]" 1
669 1 56 TYR HA 1 56 TYR QD 2.650 . 3.500 2.189 2.007 2.353 . 0 0 "[ . 1]" 1
670 1 56 TYR HA 1 56 TYR HB3 2.650 . 3.500 2.447 2.427 2.474 . 0 0 "[ . 1]" 1
671 1 56 TYR HB3 1 56 TYR QD 2.650 . 3.500 2.713 2.642 2.762 . 0 0 "[ . 1]" 1
672 1 56 TYR HB2 1 57 CYS H 3.150 . 4.500 3.712 3.609 3.815 . 0 0 "[ . 1]" 1
673 1 21 SER HA 1 57 CYS H 2.650 . 3.500 3.626 3.312 4.400 0.900 5 1 "[ + 1]" 1
674 1 22 LYS H 1 57 CYS H 3.400 . 5.000 5.344 4.906 5.959 0.959 5 2 "[ -+ 1]" 1
675 1 16 TYR QE 1 57 CYS H 2.650 . 3.500 5.844 4.586 7.048 3.548 3 10 [**+*****-*] 1
676 1 20 ILE HA 1 57 CYS H 3.750 . 5.700 5.049 4.814 5.525 . 0 0 "[ . 1]" 1
677 1 20 ILE HB 1 57 CYS H 3.400 . 5.000 5.136 4.925 5.372 0.372 3 0 "[ . 1]" 1
678 1 57 CYS H 1 57 CYS HA 2.650 . 3.500 2.900 2.883 2.913 . 0 0 "[ . 1]" 1
679 1 57 CYS H 1 82 ILE MD 3.750 . 5.700 5.891 5.462 6.556 0.856 7 1 "[ . + 1]" 1
680 1 57 CYS H 1 57 CYS QB 2.650 . 3.500 2.277 2.234 2.327 . 0 0 "[ . 1]" 1
681 1 56 TYR HB3 1 57 CYS H 2.650 . 3.500 2.625 2.528 2.749 . 0 0 "[ . 1]" 1
682 1 56 TYR HA 1 57 CYS H 2.300 . 2.800 2.296 2.242 2.344 . 0 0 "[ . 1]" 1
683 1 57 CYS H 1 58 ARG H 3.400 . 5.000 4.484 4.459 4.523 . 0 0 "[ . 1]" 1
684 1 57 CYS QB 1 82 ILE MD 3.400 . 4.500 3.865 3.118 4.338 . 0 0 "[ . 1]" 1
685 1 57 CYS QB 1 58 ARG H 3.150 . 4.500 3.821 3.750 3.861 . 0 0 "[ . 1]" 1
686 1 32 TRP HZ2 1 58 ARG H 2.650 . 3.500 2.677 2.271 3.338 . 0 0 "[ . 1]" 1
687 1 57 CYS HA 1 58 ARG H 2.650 . 3.500 2.183 2.157 2.217 . 0 0 "[ . 1]" 1
688 1 58 ARG H 1 67 TRP HA 3.400 . 5.000 5.209 4.989 5.362 0.362 1 0 "[ . 1]" 1
689 1 58 ARG H 1 58 ARG HA 2.650 . 3.500 2.926 2.890 2.947 . 0 0 "[ . 1]" 1
690 1 58 ARG H 1 58 ARG QD 3.750 . 5.700 4.268 4.046 4.484 . 0 0 "[ . 1]" 1
691 1 32 TRP HE1 1 58 ARG H 3.750 . 5.700 4.000 3.520 4.237 . 0 0 "[ . 1]" 1
692 1 58 ARG H 1 68 CYS QB 3.150 . 4.500 3.293 2.977 3.812 . 0 0 "[ . 1]" 1
693 1 58 ARG H 1 58 ARG QB 2.650 . 3.500 2.839 2.674 3.340 . 0 0 "[ . 1]" 1
694 1 58 ARG H 1 67 TRP H 2.650 . 3.500 3.562 3.294 3.812 0.312 3 0 "[ . 1]" 1
695 1 58 ARG H 1 58 ARG HG2 3.150 . 4.500 2.817 2.204 3.072 . 0 0 "[ . 1]" 1
696 1 58 ARG HA 1 58 ARG QD 3.150 . 4.500 2.723 2.035 4.468 . 0 0 "[ . 1]" 1
697 1 58 ARG HA 1 58 ARG HG2 3.150 . 4.500 3.075 2.924 3.437 . 0 0 "[ . 1]" 1
698 1 58 ARG QB 1 58 ARG HG2 2.650 . 3.500 2.440 2.382 2.504 . 0 0 "[ . 1]" 1
699 1 58 ARG QD 1 58 ARG HG3 2.650 . 3.500 2.221 2.144 2.278 . 0 0 "[ . 1]" 1
700 1 58 ARG HA 1 59 ASN H 2.650 . 3.500 2.519 2.422 2.588 . 0 0 "[ . 1]" 1
701 1 58 ARG QB 1 59 ASN H 2.650 . 3.500 2.177 2.043 2.346 . 0 0 "[ . 1]" 1
702 1 59 ASN H 1 59 ASN QB 2.650 . 3.500 2.543 2.435 2.704 . 0 0 "[ . 1]" 1
703 1 58 ARG QD 1 59 ASN H 3.750 . 5.700 3.809 3.376 4.954 . 0 0 "[ . 1]" 1
704 1 59 ASN H 1 59 ASN HA 2.650 . 3.500 2.942 2.918 2.953 . 0 0 "[ . 1]" 1
705 1 59 ASN H 1 60 PRO HA 3.750 . 5.700 4.614 4.302 4.862 . 0 0 "[ . 1]" 1
706 1 59 ASN H 1 66 PRO HA 3.150 . 4.500 4.080 3.737 4.450 . 0 0 "[ . 1]" 1
707 1 59 ASN H 1 60 PRO QD 3.150 . 4.500 3.542 3.225 3.778 . 0 0 "[ . 1]" 1
708 1 60 PRO HA 1 60 PRO QG 3.150 . 4.500 3.509 3.357 3.535 . 0 0 "[ . 1]" 1
709 1 60 PRO HA 1 60 PRO HB3 2.650 . 3.500 2.300 2.251 2.323 . 0 0 "[ . 1]" 1
710 1 60 PRO QD 1 61 ASP H 2.650 . 3.500 2.275 2.098 2.695 . 0 0 "[ . 1]" 1
711 1 60 PRO QG 1 61 ASP H 2.650 . 3.500 3.118 2.734 3.556 0.056 1 0 "[ . 1]" 1
712 1 61 ASP H 1 67 TRP HE1 3.150 . 4.500 3.954 3.318 5.005 0.505 3 1 "[ + . 1]" 1
713 1 61 ASP H 1 63 ASP H 3.150 . 4.500 3.419 3.265 3.533 . 0 0 "[ . 1]" 1
714 1 61 ASP H 1 67 TRP HZ2 3.150 . 4.500 4.308 3.413 5.392 0.892 3 2 "[ + - 1]" 1
715 1 61 ASP H 1 61 ASP HB2 2.650 . 3.500 2.796 2.338 3.085 . 0 0 "[ . 1]" 1
716 1 61 ASP H 1 61 ASP HA 2.650 . 3.500 2.923 2.902 2.939 . 0 0 "[ . 1]" 1
717 1 61 ASP H 1 61 ASP HB3 2.650 . 3.500 2.618 2.301 3.672 0.172 7 0 "[ . 1]" 1
718 1 42 TYR QE 1 61 ASP H 3.150 . 4.500 4.200 3.683 5.008 0.508 9 1 "[ . +1]" 1
719 1 59 ASN HA 1 61 ASP H 3.150 . 4.500 3.557 3.376 3.800 . 0 0 "[ . 1]" 1
720 1 60 PRO HA 1 61 ASP H 2.650 . 3.500 3.511 3.433 3.590 0.090 7 0 "[ . 1]" 1
721 1 61 ASP HA 1 61 ASP HB3 2.650 . 3.500 2.946 2.358 3.030 . 0 0 "[ . 1]" 1
722 1 61 ASP HA 1 61 ASP HB2 2.650 . 3.500 2.523 2.343 3.006 . 0 0 "[ . 1]" 1
723 1 42 TYR QE 1 61 ASP HB2 3.150 . 4.500 2.837 2.007 4.687 0.187 7 0 "[ . 1]" 1
724 1 62 ARG H 1 62 ARG QG 2.650 . 3.500 2.926 2.813 3.068 . 0 0 "[ . 1]" 1
725 1 14 GLU QG 1 62 ARG H 3.150 . 4.500 3.478 3.173 3.718 . 0 0 "[ . 1]" 1
726 1 62 ARG H 1 63 ASP QB 3.750 . 5.700 4.570 4.243 4.763 . 0 0 "[ . 1]" 1
727 1 62 ARG H 1 62 ARG HB2 3.150 . 4.500 3.630 3.516 3.722 . 0 0 "[ . 1]" 1
728 1 62 ARG H 1 62 ARG HB3 3.150 . 4.500 4.107 4.054 4.135 . 0 0 "[ . 1]" 1
729 1 62 ARG H 1 62 ARG HA 2.300 . 2.800 2.256 2.253 2.259 . 0 0 "[ . 1]" 1
730 1 62 ARG H 1 63 ASP H 2.650 . 3.500 2.431 2.331 2.516 . 0 0 "[ . 1]" 1
731 1 61 ASP H 1 62 ARG H 2.650 . 3.500 2.236 2.074 2.406 . 0 0 "[ . 1]" 1
732 1 61 ASP HB3 1 62 ARG H 3.150 . 4.500 3.518 3.295 4.413 . 0 0 "[ . 1]" 1
733 1 61 ASP HA 1 62 ARG H 2.650 . 3.500 3.367 3.296 3.396 . 0 0 "[ . 1]" 1
734 1 62 ARG HA 1 62 ARG HB2 2.650 . 3.500 3.023 3.007 3.029 . 0 0 "[ . 1]" 1
735 1 62 ARG HA 1 62 ARG QG 2.650 . 3.500 2.433 2.326 2.544 . 0 0 "[ . 1]" 1
736 1 62 ARG HB3 1 62 ARG QG 2.300 . 2.800 2.369 2.222 2.509 . 0 0 "[ . 1]" 1
737 1 62 ARG HB2 1 62 ARG QD 3.150 . 4.500 2.978 2.570 3.290 . 0 0 "[ . 1]" 1
738 1 63 ASP H 1 63 ASP HA 2.650 . 3.500 2.859 2.817 2.894 . 0 0 "[ . 1]" 1
739 1 59 ASN HA 1 63 ASP H 3.750 . 5.700 4.948 4.448 5.186 . 0 0 "[ . 1]" 1
740 1 62 ARG HA 1 63 ASP H 2.650 . 3.500 2.897 2.814 2.991 . 0 0 "[ . 1]" 1
741 1 63 ASP H 1 67 TRP HE1 3.150 . 4.500 4.165 3.667 4.492 . 0 0 "[ . 1]" 1
742 1 62 ARG HB3 1 63 ASP H 3.150 . 4.500 4.407 4.337 4.475 . 0 0 "[ . 1]" 1
743 1 63 ASP H 1 64 LEU H 3.150 . 4.500 4.412 4.312 4.540 0.040 1 0 "[ . 1]" 1
744 1 63 ASP H 1 63 ASP QB 2.650 . 3.500 2.545 2.238 2.702 . 0 0 "[ . 1]" 1
745 1 63 ASP HA 1 63 ASP QB 2.650 . 3.500 2.200 2.165 2.468 . 0 0 "[ . 1]" 1
746 1 63 ASP QB 1 79 TYR QE 3.150 . 4.500 4.977 4.373 6.188 1.688 5 5 "[- * + * *]" 1
747 1 63 ASP QB 1 64 LEU H 3.150 . 4.500 1.863 1.700 2.154 0.100 6 0 "[ . 1]" 1
748 1 64 LEU H 1 64 LEU HG 3.150 . 4.500 3.313 2.375 4.538 0.038 1 0 "[ . 1]" 1
749 1 64 LEU H 1 64 LEU MD1 3.150 . 4.500 2.322 1.805 3.957 . 0 0 "[ . 1]" 1
750 1 63 ASP HA 1 64 LEU H 3.150 . 4.500 2.762 2.416 2.869 . 0 0 "[ . 1]" 1
751 1 64 LEU H 1 64 LEU HB2 2.650 . 3.500 2.403 2.175 2.568 . 0 0 "[ . 1]" 1
752 1 64 LEU H 1 64 LEU HA 2.650 . 3.500 2.757 2.738 2.791 . 0 0 "[ . 1]" 1
753 1 64 LEU H 1 79 TYR QE 2.650 . 3.500 5.337 4.518 6.835 3.335 5 10 [****+-****] 1
754 1 64 LEU H 1 65 ARG H 2.650 . 3.500 2.976 2.852 3.050 . 0 0 "[ . 1]" 1
755 1 64 LEU H 1 65 ARG HA 3.750 . 5.700 5.313 5.269 5.384 . 0 0 "[ . 1]" 1
756 1 64 LEU HA 1 64 LEU HG 3.150 . 4.500 2.456 2.287 2.912 . 0 0 "[ . 1]" 1
757 1 64 LEU HA 1 64 LEU HB3 2.650 . 3.500 2.616 2.479 3.020 . 0 0 "[ . 1]" 1
758 1 64 LEU HA 1 64 LEU MD1 3.150 . 4.500 3.054 2.184 3.839 . 0 0 "[ . 1]" 1
759 1 64 LEU HB3 1 64 LEU HG 2.650 . 3.500 2.667 2.471 2.945 . 0 0 "[ . 1]" 1
760 1 64 LEU HB3 1 64 LEU MD1 2.650 . 3.500 3.083 2.742 3.204 . 0 0 "[ . 1]" 1
761 1 64 LEU MD2 1 79 TYR QE 3.750 . 5.700 5.242 4.846 5.831 0.131 7 0 "[ . 1]" 1
762 1 64 LEU HB2 1 64 LEU MD2 2.650 . 3.500 2.660 2.389 3.076 . 0 0 "[ . 1]" 1
763 1 65 ARG H 1 66 PRO HA 3.750 . 5.700 5.095 5.062 5.178 . 0 0 "[ . 1]" 1
764 1 65 ARG H 1 65 ARG HB2 3.150 . 4.500 3.986 3.854 4.068 . 0 0 "[ . 1]" 1
765 1 65 ARG H 1 65 ARG HB3 2.650 . 3.500 3.542 3.415 3.643 0.143 8 0 "[ . 1]" 1
766 1 65 ARG H 1 65 ARG HA 2.650 . 3.500 2.875 2.853 2.899 . 0 0 "[ . 1]" 1
767 1 65 ARG H 1 79 TYR QE 2.650 . 3.500 4.038 2.417 6.086 2.586 5 3 "[* + -1]" 1
768 1 64 LEU HA 1 65 ARG H 2.650 . 3.500 3.566 3.510 3.590 0.090 8 0 "[ . 1]" 1
769 1 64 LEU MD2 1 65 ARG H 3.750 . 5.700 4.627 4.037 4.797 . 0 0 "[ . 1]" 1
770 1 63 ASP HA 1 65 ARG H 3.750 . 5.700 4.943 4.473 5.065 . 0 0 "[ . 1]" 1
771 1 63 ASP QB 1 65 ARG H 3.150 . 4.500 3.722 2.577 3.952 . 0 0 "[ . 1]" 1
772 1 64 LEU HB2 1 65 ARG H 2.650 . 3.500 2.695 2.421 3.709 0.209 1 0 "[ . 1]" 1
773 1 63 ASP H 1 65 ARG H 3.750 . 5.700 5.005 4.746 5.178 . 0 0 "[ . 1]" 1
774 1 65 ARG HA 1 66 PRO HD3 2.650 . 3.500 2.069 1.991 2.132 . 0 0 "[ . 1]" 1
775 1 65 ARG HA 1 65 ARG HB3 2.650 . 3.500 2.400 2.311 2.495 . 0 0 "[ . 1]" 1
776 1 65 ARG HA 1 65 ARG HB2 2.650 . 3.500 2.496 2.416 2.603 . 0 0 "[ . 1]" 1
777 1 65 ARG HA 1 65 ARG HG2 3.150 . 4.500 3.761 3.566 4.000 . 0 0 "[ . 1]" 1
778 1 65 ARG HA 1 66 PRO HD2 2.650 . 3.500 2.814 2.676 2.958 . 0 0 "[ . 1]" 1
779 1 65 ARG HB3 1 65 ARG QD 3.150 . 4.500 2.451 2.278 2.920 . 0 0 "[ . 1]" 1
780 1 66 PRO HB2 1 80 CYS QB 3.150 . 4.500 3.283 2.504 3.653 . 0 0 "[ . 1]" 1
781 1 66 PRO HA 1 66 PRO HG2 3.150 . 4.500 3.902 3.854 3.939 . 0 0 "[ . 1]" 1
782 1 59 ASN QB 1 66 PRO HG2 3.150 . 4.500 3.752 3.559 3.911 . 0 0 "[ . 1]" 1
783 1 66 PRO HA 1 67 TRP H 2.300 . 2.800 2.204 2.129 2.284 . 0 0 "[ . 1]" 1
784 1 32 TRP HZ2 1 67 TRP H 3.150 . 4.500 4.798 4.360 5.159 0.659 1 3 "[+ . * -]" 1
785 1 67 TRP H 1 79 TYR HA 3.400 . 5.000 5.203 4.895 5.435 0.435 8 0 "[ . 1]" 1
786 1 67 TRP H 1 80 CYS QB 3.400 . 5.000 4.970 4.515 5.288 0.288 2 0 "[ . 1]" 1
787 1 66 PRO HD2 1 67 TRP H 3.750 . 5.700 5.535 5.492 5.587 . 0 0 "[ . 1]" 1
788 1 66 PRO HG3 1 67 TRP H 3.150 . 4.500 4.802 4.723 4.881 0.381 1 0 "[ . 1]" 1
789 1 67 TRP H 1 68 CYS H 3.150 . 4.500 4.322 4.290 4.337 . 0 0 "[ . 1]" 1
790 1 67 TRP H 1 67 TRP HD1 2.650 . 3.500 3.352 3.136 3.539 0.039 1 0 "[ . 1]" 1
791 1 66 PRO HB3 1 67 TRP H 2.650 . 3.500 3.111 3.060 3.167 . 0 0 "[ . 1]" 1
792 1 57 CYS QB 1 67 TRP H 3.400 . 5.000 5.032 4.812 5.274 0.274 1 0 "[ . 1]" 1
793 1 67 TRP H 1 67 TRP HB3 2.900 . 4.000 3.551 3.506 3.606 . 0 0 "[ . 1]" 1
794 1 66 PRO HB2 1 67 TRP H 2.650 . 3.500 3.597 3.487 3.756 0.256 10 0 "[ . 1]" 1
795 1 67 TRP H 1 67 TRP HE1 3.750 . 5.700 4.692 4.556 4.823 . 0 0 "[ . 1]" 1
796 1 67 TRP H 1 67 TRP HA 2.300 . 2.800 2.867 2.837 2.884 0.084 1 0 "[ . 1]" 1
797 1 68 CYS H 1 78 GLU HB2 3.750 . 5.700 4.975 4.681 5.216 . 0 0 "[ . 1]" 1
798 1 67 TRP HA 1 67 TRP HB3 2.650 . 3.500 2.400 2.359 2.426 . 0 0 "[ . 1]" 1
799 1 67 TRP HA 1 79 TYR QD 3.150 . 4.500 3.932 3.576 4.508 0.008 9 0 "[ . 1]" 1
800 1 67 TRP HA 1 67 TRP HD1 3.750 . 5.700 4.294 4.161 4.385 . 0 0 "[ . 1]" 1
801 1 67 TRP HA 1 79 TYR HA 2.300 . 2.800 2.727 2.442 2.974 0.174 7 0 "[ . 1]" 1
802 1 59 ASN HA 1 67 TRP HE1 2.650 . 3.500 4.107 3.824 4.573 1.073 3 8 "[**+** -* *]" 1
803 1 60 PRO QD 1 67 TRP HE1 3.150 . 4.500 3.303 2.617 4.632 0.132 3 0 "[ . 1]" 1
804 1 60 PRO QG 1 67 TRP HE1 3.750 . 5.700 4.685 3.759 6.063 0.363 3 0 "[ . 1]" 1
805 1 32 TRP HH2 1 67 TRP HE1 3.750 . 5.700 6.149 5.635 6.654 0.954 4 5 "[* -+* *]" 1
806 1 63 ASP QB 1 67 TRP HE1 2.650 . 3.500 3.589 2.522 4.052 0.552 7 1 "[ . + 1]" 1
807 1 32 TRP HZ3 1 67 TRP HZ3 2.650 . 3.500 3.614 3.027 4.326 0.826 5 2 "[ - + 1]" 1
808 1 67 TRP HZ3 1 69 PHE QE 3.750 . 5.700 2.668 2.267 3.326 . 0 0 "[ . 1]" 1
809 1 58 ARG H 1 68 CYS H 3.750 . 5.700 5.651 5.416 5.792 0.092 2 0 "[ . 1]" 1
810 1 67 TRP HA 1 68 CYS H 2.300 . 2.800 2.458 2.400 2.498 . 0 0 "[ . 1]" 1
811 1 67 TRP HZ3 1 68 CYS H 3.400 . 5.000 5.357 5.066 5.715 0.715 4 1 "[ +. 1]" 1
812 1 68 CYS H 1 80 CYS H 3.750 . 5.700 5.007 4.529 5.240 . 0 0 "[ . 1]" 1
813 1 67 TRP HE3 1 68 CYS H 3.150 . 4.500 3.063 2.789 3.387 . 0 0 "[ . 1]" 1
814 1 68 CYS H 1 77 TRP HE3 3.150 . 4.500 4.592 3.674 5.299 0.799 2 2 "[ + - 1]" 1
815 1 68 CYS H 1 78 GLU H 2.650 . 3.500 3.094 2.894 3.270 . 0 0 "[ . 1]" 1
816 1 68 CYS H 1 69 PHE H 3.150 . 4.500 4.357 4.332 4.397 . 0 0 "[ . 1]" 1
817 1 68 CYS H 1 78 GLU HA 3.750 . 5.700 5.141 4.949 5.354 . 0 0 "[ . 1]" 1
818 1 23 THR MG 1 68 CYS H 3.400 . 5.000 4.198 3.737 4.685 . 0 0 "[ . 1]" 1
819 1 68 CYS H 1 79 TYR HA 3.150 . 4.500 3.879 3.525 4.151 . 0 0 "[ . 1]" 1
820 1 68 CYS H 1 68 CYS QB 2.650 . 3.500 3.292 3.230 3.324 . 0 0 "[ . 1]" 1
821 1 68 CYS H 1 77 TRP HB2 3.750 . 5.700 3.781 3.626 4.109 . 0 0 "[ . 1]" 1
822 1 68 CYS H 1 68 CYS HA 2.300 . 2.800 2.883 2.861 2.919 0.119 1 0 "[ . 1]" 1
823 1 68 CYS H 1 78 GLU HB3 3.750 . 5.700 5.354 5.120 5.690 . 0 0 "[ . 1]" 1
824 1 68 CYS HA 1 68 CYS QB 2.650 . 3.500 2.175 2.161 2.182 . 0 0 "[ . 1]" 1
825 1 32 TRP HZ2 1 68 CYS HA 3.150 . 4.500 2.975 2.182 3.557 . 0 0 "[ . 1]" 1
826 1 29 CYS QB 1 68 CYS QB 3.150 . 4.500 3.189 2.814 3.686 . 0 0 "[ . 1]" 1
827 1 69 PHE H 1 69 PHE HA 2.650 . 3.500 2.868 2.865 2.878 . 0 0 "[ . 1]" 1
828 1 32 TRP HH2 1 69 PHE H 3.150 . 4.500 4.040 2.988 4.795 0.295 2 0 "[ . 1]" 1
829 1 30 GLN HB3 1 69 PHE H 3.750 . 5.700 4.558 3.842 6.609 0.909 4 1 "[ +. 1]" 1
830 1 30 GLN H 1 69 PHE H 3.150 . 4.500 4.209 3.925 4.715 0.215 4 0 "[ . 1]" 1
831 1 29 CYS QB 1 69 PHE H 3.150 . 4.500 5.054 4.847 5.310 0.810 3 7 "[*-+ .** **]" 1
832 1 69 PHE H 1 78 GLU H 3.750 . 5.700 5.148 4.974 5.348 . 0 0 "[ . 1]" 1
833 1 69 PHE H 1 69 PHE QD 3.150 . 4.500 2.573 2.121 2.984 . 0 0 "[ . 1]" 1
834 1 68 CYS QB 1 69 PHE H 3.150 . 3.500 2.425 2.251 2.650 . 0 0 "[ . 1]" 1
835 1 69 PHE H 1 69 PHE HB2 2.650 . 3.500 2.348 2.144 2.454 . 0 0 "[ . 1]" 1
836 1 69 PHE H 1 69 PHE HB3 2.650 . 3.500 3.569 3.415 3.605 0.105 8 0 "[ . 1]" 1
837 1 67 TRP HZ3 1 69 PHE H 3.400 . 5.000 4.465 4.064 4.919 . 0 0 "[ . 1]" 1
838 1 68 CYS HA 1 69 PHE H 2.650 . 3.500 2.362 2.261 2.435 . 0 0 "[ . 1]" 1
839 1 32 TRP HZ2 1 69 PHE H 3.150 . 4.500 4.291 3.563 4.893 0.393 7 0 "[ . 1]" 1
840 1 69 PHE HA 1 77 TRP HA 2.300 . 2.800 2.181 1.970 2.347 . 0 0 "[ . 1]" 1
841 1 69 PHE HA 1 69 PHE HB3 2.650 . 3.500 2.553 2.480 2.744 . 0 0 "[ . 1]" 1
842 1 40 HIS HB2 1 69 PHE QE 3.150 . 4.500 2.970 2.661 3.583 . 0 0 "[ . 1]" 1
843 1 70 THR H 1 77 TRP H 3.150 . 4.500 4.465 4.315 4.558 0.058 9 0 "[ . 1]" 1
844 1 70 THR H 1 76 ARG HA 3.150 . 4.500 3.781 3.565 3.977 . 0 0 "[ . 1]" 1
845 1 70 THR H 1 70 THR HG1 2.650 . 3.500 2.727 2.632 2.783 . 0 0 "[ . 1]" 1
846 1 30 GLN HB2 1 70 THR H 3.750 . 5.700 4.645 3.579 6.207 0.507 4 1 "[ +. 1]" 1
847 1 70 THR H 1 78 GLU H 3.150 . 4.500 4.851 4.627 5.243 0.743 9 1 "[ . +1]" 1
848 1 69 PHE HB3 1 70 THR H 3.150 . 4.500 2.567 2.513 2.701 . 0 0 "[ . 1]" 1
849 1 69 PHE HA 1 70 THR H 2.300 . 2.800 2.409 2.381 2.426 . 0 0 "[ . 1]" 1
850 1 30 GLN HB3 1 70 THR H 3.400 . 5.000 4.039 3.446 5.066 0.066 4 0 "[ . 1]" 1
851 1 69 PHE HB2 1 70 THR H 3.150 . 4.500 3.812 3.705 4.037 . 0 0 "[ . 1]" 1
852 1 70 THR H 1 70 THR HB 2.650 . 3.500 3.585 3.226 3.673 0.173 10 0 "[ . 1]" 1
853 1 29 CYS HA 1 70 THR H 3.750 . 5.700 4.869 4.749 5.009 . 0 0 "[ . 1]" 1
854 1 30 GLN H 1 70 THR H 3.750 . 5.700 4.146 3.967 4.253 . 0 0 "[ . 1]" 1
855 1 69 PHE QD 1 70 THR H 3.150 . 4.500 3.519 3.231 3.774 . 0 0 "[ . 1]" 1
856 1 70 THR H 1 70 THR MG 2.650 . 3.500 3.534 3.400 3.845 0.345 1 0 "[ . 1]" 1
857 1 70 THR HA 1 70 THR HB 2.650 . 3.500 2.720 2.657 2.902 . 0 0 "[ . 1]" 1
858 1 70 THR HA 1 70 THR MG 3.150 . 4.500 2.168 2.130 2.194 . 0 0 "[ . 1]" 1
859 1 30 GLN HB3 1 70 THR HA 3.150 . 4.500 3.864 3.311 4.368 . 0 0 "[ . 1]" 1
860 1 70 THR MG 1 75 LYS HG2 3.150 . 4.500 4.705 4.322 5.232 0.732 6 2 "[ .+ -1]" 1
861 1 27 LEU QB 1 70 THR MG 3.400 . 4.500 1.938 1.847 2.078 . 0 0 "[ . 1]" 1
862 1 70 THR HB 1 71 THR H 3.150 . 4.500 3.080 2.960 3.489 . 0 0 "[ . 1]" 1
863 1 27 LEU QB 1 71 THR H 3.150 . 4.500 4.272 3.974 4.623 0.123 1 0 "[ . 1]" 1
864 1 29 CYS HA 1 71 THR H 2.650 . 3.500 3.634 3.439 3.958 0.458 10 0 "[ . 1]" 1
865 1 70 THR MG 1 71 THR H 3.150 . 4.500 3.147 2.667 3.343 . 0 0 "[ . 1]" 1
866 1 70 THR HG1 1 71 THR H 3.750 . 5.700 4.737 4.582 5.150 . 0 0 "[ . 1]" 1
867 1 70 THR HA 1 71 THR H 2.650 . 3.500 2.199 2.181 2.230 . 0 0 "[ . 1]" 1
868 1 30 GLN H 1 71 THR H 3.150 . 4.500 3.587 3.270 3.964 . 0 0 "[ . 1]" 1
869 1 71 THR H 1 72 ASP H 2.650 . 3.500 3.136 3.026 3.232 . 0 0 "[ . 1]" 1
870 1 71 THR H 1 71 THR HB 2.650 . 3.500 3.386 2.970 3.597 0.097 3 0 "[ . 1]" 1
871 1 71 THR H 1 71 THR HA 2.650 . 3.500 2.877 2.863 2.886 . 0 0 "[ . 1]" 1
872 1 71 THR H 1 72 ASP QB 3.750 . 5.700 4.268 4.116 4.498 . 0 0 "[ . 1]" 1
873 1 71 THR H 1 71 THR MG 2.650 . 3.500 3.033 2.547 3.662 0.162 6 0 "[ . 1]" 1
874 1 37 PRO QG 1 71 THR HA 3.150 . 4.500 5.479 4.225 6.421 1.921 7 7 "[**- .*+* *]" 1
875 1 37 PRO QD 1 71 THR HA 2.650 . 3.500 5.399 4.899 5.987 2.487 3 10 [**+*-*****] 1
876 1 71 THR HA 1 71 THR MG 3.150 . 4.500 2.190 2.138 2.273 . 0 0 "[ . 1]" 1
877 1 71 THR HA 1 71 THR HB 2.650 . 3.500 2.719 2.549 2.959 . 0 0 "[ . 1]" 1
878 1 30 GLN HA 1 71 THR MG 3.150 . 4.500 2.729 2.171 3.761 . 0 0 "[ . 1]" 1
879 1 28 GLU QG 1 71 THR MG 3.150 . 4.500 5.623 5.089 6.205 1.705 8 10 [**-****+**] 1
880 1 28 GLU HB2 1 71 THR MG 3.150 . 4.500 4.239 3.500 4.897 0.397 1 0 "[ . 1]" 1
881 1 72 ASP H 1 75 LYS H 3.400 . 5.000 4.361 4.253 4.651 . 0 0 "[ . 1]" 1
882 1 72 ASP H 1 72 ASP QB 2.300 . 2.800 2.380 2.300 2.435 . 0 0 "[ . 1]" 1
883 1 72 ASP H 1 72 ASP HA 2.650 . 3.500 2.943 2.941 2.947 . 0 0 "[ . 1]" 1
884 1 71 THR HA 1 72 ASP H 2.650 . 3.500 2.881 2.789 2.982 . 0 0 "[ . 1]" 1
885 1 70 THR HB 1 72 ASP H 2.650 . 3.500 2.580 2.387 2.798 . 0 0 "[ . 1]" 1
886 1 72 ASP H 1 75 LYS QB 3.750 . 4.500 4.466 4.215 5.009 0.509 6 1 "[ .+ 1]" 1
887 1 71 THR HB 1 72 ASP H 3.150 . 4.500 4.288 4.090 4.386 . 0 0 "[ . 1]" 1
888 1 27 LEU QB 1 72 ASP H 3.750 . 5.700 4.617 4.216 4.815 . 0 0 "[ . 1]" 1
889 1 38 HIS HE1 1 72 ASP H 3.750 . 5.700 3.147 2.609 4.030 . 0 0 "[ . 1]" 1
890 1 70 THR HG1 1 72 ASP H 3.150 . 4.500 3.417 3.158 4.275 . 0 0 "[ . 1]" 1
891 1 70 THR HA 1 72 ASP H 3.150 . 4.500 4.017 3.909 4.130 . 0 0 "[ . 1]" 1
892 1 72 ASP HA 1 73 PRO HD2 2.650 . 3.500 2.501 2.290 2.789 . 0 0 "[ . 1]" 1
893 1 72 ASP HA 1 73 PRO HD3 2.650 . 3.500 1.926 1.844 2.008 . 0 0 "[ . 1]" 1
894 1 72 ASP HA 1 72 ASP QB 2.650 . 3.500 2.532 2.484 2.546 . 0 0 "[ . 1]" 1
895 1 72 ASP HA 1 73 PRO HG3 3.150 . 4.500 4.107 3.965 4.194 . 0 0 "[ . 1]" 1
896 1 73 PRO HA 1 73 PRO HB3 2.650 . 3.500 2.291 2.276 2.306 . 0 0 "[ . 1]" 1
897 1 73 PRO HD2 1 73 PRO HG3 2.650 . 3.500 2.980 2.969 2.989 . 0 0 "[ . 1]" 1
898 1 73 PRO HD3 1 73 PRO HG3 2.650 . 3.500 2.296 2.286 2.304 . 0 0 "[ . 1]" 1
899 1 37 PRO HB2 1 73 PRO HG3 3.750 . 5.700 5.872 5.430 6.608 0.908 7 3 "[ * . + -]" 1
900 1 73 PRO HB2 1 73 PRO HG3 2.300 . 2.800 2.986 2.974 2.992 0.192 9 0 "[ . 1]" 1
901 1 73 PRO HB3 1 73 PRO HG3 2.300 . 2.800 2.293 2.279 2.300 . 0 0 "[ . 1]" 1
902 1 73 PRO HB3 1 74 ASN H 3.150 . 4.500 4.374 4.280 4.449 . 0 0 "[ . 1]" 1
903 1 74 ASN H 1 75 LYS H 2.650 . 3.500 2.175 2.049 2.483 . 0 0 "[ . 1]" 1
904 1 73 PRO HD3 1 74 ASN H 3.150 . 4.500 4.077 3.861 4.268 . 0 0 "[ . 1]" 1
905 1 73 PRO HA 1 74 ASN H 2.650 . 3.500 3.447 3.407 3.499 . 0 0 "[ . 1]" 1
906 1 73 PRO HB2 1 74 ASN H 2.650 . 3.500 3.276 3.108 3.427 . 0 0 "[ . 1]" 1
907 1 74 ASN H 1 74 ASN HB2 2.650 . 3.500 3.671 3.590 3.734 0.234 10 0 "[ . 1]" 1
908 1 74 ASN H 1 75 LYS HA 3.750 . 5.700 4.886 4.802 5.042 . 0 0 "[ . 1]" 1
909 1 74 ASN H 1 75 LYS QB 3.750 . 5.700 4.132 3.981 4.538 . 0 0 "[ . 1]" 1
910 1 74 ASN H 1 74 ASN HA 2.650 . 3.500 2.928 2.900 2.941 . 0 0 "[ . 1]" 1
911 1 74 ASN H 1 74 ASN HB3 2.300 . 2.800 2.985 2.810 3.134 0.334 2 0 "[ . 1]" 1
912 1 74 ASN HA 1 74 ASN HB3 2.650 . 3.500 2.402 2.342 2.507 . 0 0 "[ . 1]" 1
913 1 74 ASN HA 1 74 ASN HB2 2.650 . 3.500 2.507 2.398 2.582 . 0 0 "[ . 1]" 1
914 1 74 ASN HB2 1 75 LYS H 2.900 . 4.000 3.856 3.281 4.087 0.087 10 0 "[ . 1]" 1
915 1 75 LYS H 1 75 LYS QB 2.650 . 3.500 2.447 2.317 2.490 . 0 0 "[ . 1]" 1
916 1 73 PRO HA 1 75 LYS H 3.150 . 4.500 4.476 4.281 4.907 0.407 6 0 "[ . 1]" 1
917 1 74 ASN HA 1 75 LYS H 2.650 . 3.500 3.475 3.435 3.573 0.073 6 0 "[ . 1]" 1
918 1 75 LYS H 1 75 LYS HA 2.650 . 3.500 2.945 2.942 2.948 . 0 0 "[ . 1]" 1
919 1 72 ASP QB 1 75 LYS H 3.150 . 4.500 2.360 2.160 2.571 . 0 0 "[ . 1]" 1
920 1 70 THR HG1 1 75 LYS H 3.150 . 4.500 4.344 4.038 4.912 0.412 1 0 "[ . 1]" 1
921 1 70 THR MG 1 75 LYS H 3.150 . 4.500 5.769 5.113 6.014 1.514 10 10 [-********+] 1
922 1 38 HIS HE1 1 75 LYS H 3.750 . 5.700 4.391 3.414 5.638 . 0 0 "[ . 1]" 1
923 1 70 THR MG 1 75 LYS HA 3.750 . 5.700 6.096 5.704 6.230 0.530 7 2 "[ -. + 1]" 1
924 1 75 LYS HA 1 75 LYS QB 2.650 . 3.500 2.534 2.520 2.543 . 0 0 "[ . 1]" 1
925 1 75 LYS QE 1 75 LYS HG3 3.150 . 4.500 3.068 2.949 3.427 . 0 0 "[ . 1]" 1
926 1 75 LYS HA 1 75 LYS HG3 3.150 . 4.500 2.456 2.318 2.580 . 0 0 "[ . 1]" 1
927 1 75 LYS QB 1 75 LYS HG3 2.650 . 3.500 2.381 2.354 2.411 . 0 0 "[ . 1]" 1
928 1 75 LYS QD 1 75 LYS HG3 2.650 . 3.500 2.292 2.161 2.355 . 0 0 "[ . 1]" 1
929 1 75 LYS QD 1 75 LYS HG2 2.300 . 2.800 2.398 2.341 2.467 . 0 0 "[ . 1]" 1
930 1 75 LYS QE 1 78 GLU QG 3.150 . 4.500 3.645 3.410 4.214 . 0 0 "[ . 1]" 1
931 1 76 ARG H 1 76 ARG QD 3.400 . 5.000 4.038 3.614 4.407 . 0 0 "[ . 1]" 1
932 1 75 LYS HA 1 76 ARG H 2.650 . 3.500 2.192 2.156 2.228 . 0 0 "[ . 1]" 1
933 1 75 LYS QD 1 76 ARG H 3.400 . 5.000 4.064 3.760 4.465 . 0 0 "[ . 1]" 1
934 1 75 LYS H 1 76 ARG H 3.150 . 4.500 4.106 3.897 4.384 . 0 0 "[ . 1]" 1
935 1 76 ARG H 1 76 ARG QB 2.300 . 2.800 2.453 2.249 2.614 . 0 0 "[ . 1]" 1
936 1 75 LYS HG3 1 76 ARG H 3.150 . 4.500 3.687 2.962 4.029 . 0 0 "[ . 1]" 1
937 1 76 ARG H 1 77 TRP HD1 3.750 . 5.700 5.009 4.502 5.336 . 0 0 "[ . 1]" 1
938 1 76 ARG HA 1 76 ARG QB 2.650 . 3.500 2.371 2.294 2.447 . 0 0 "[ . 1]" 1
939 1 69 PHE QD 1 76 ARG QG 3.150 . 4.500 5.036 4.421 5.362 0.862 9 7 "[****.- *+1]" 1
940 1 76 ARG QB 1 76 ARG QD 3.150 . 3.500 2.116 2.065 2.141 . 0 0 "[ . 1]" 1
941 1 75 LYS HG3 1 77 TRP H 3.400 . 5.000 3.459 2.796 3.985 . 0 0 "[ . 1]" 1
942 1 76 ARG HA 1 77 TRP H 2.650 . 3.500 3.525 3.496 3.556 0.056 1 0 "[ . 1]" 1
943 1 76 ARG QD 1 77 TRP H 3.750 . 5.700 4.877 4.608 5.237 . 0 0 "[ . 1]" 1
944 1 69 PHE QD 1 77 TRP H 3.750 . 5.700 4.853 4.641 5.481 . 0 0 "[ . 1]" 1
945 1 77 TRP H 1 77 TRP HE1 3.750 . 5.700 4.929 4.810 5.087 . 0 0 "[ . 1]" 1
946 1 70 THR HB 1 77 TRP H 3.750 . 5.700 5.694 5.166 5.825 0.125 7 0 "[ . 1]" 1
947 1 77 TRP H 1 77 TRP HA 2.650 . 3.500 2.867 2.845 2.887 . 0 0 "[ . 1]" 1
948 1 77 TRP H 1 77 TRP HB2 3.150 . 4.500 3.931 3.882 4.015 . 0 0 "[ . 1]" 1
949 1 77 TRP H 1 77 TRP HB3 3.150 . 4.500 3.573 3.394 3.648 . 0 0 "[ . 1]" 1
950 1 77 TRP H 1 77 TRP HD1 2.650 . 3.500 3.629 2.998 3.976 0.476 7 0 "[ . 1]" 1
951 1 77 TRP H 1 78 GLU H 3.150 . 4.500 4.345 4.324 4.370 . 0 0 "[ . 1]" 1
952 1 76 ARG H 1 77 TRP H 2.650 . 3.500 2.651 2.484 2.789 . 0 0 "[ . 1]" 1
953 1 76 ARG QB 1 77 TRP H 2.650 . 3.500 2.618 2.500 2.758 . 0 0 "[ . 1]" 1
954 1 77 TRP HA 1 77 TRP HE3 3.750 . 5.700 4.373 4.211 4.548 . 0 0 "[ . 1]" 1
955 1 77 TRP HA 1 77 TRP HB3 2.650 . 3.500 2.381 2.337 2.469 . 0 0 "[ . 1]" 1
956 1 70 THR H 1 77 TRP HA 2.650 . 3.500 2.741 2.592 3.057 . 0 0 "[ . 1]" 1
957 1 75 LYS HG2 1 77 TRP HA 3.750 . 5.700 5.886 5.498 6.263 0.563 9 1 "[ . +1]" 1
958 1 77 TRP HB2 1 77 TRP HE3 3.150 . 4.500 2.641 2.426 2.787 . 0 0 "[ . 1]" 1
959 1 77 TRP HB3 1 77 TRP HE3 3.150 . 4.500 4.144 3.965 4.217 . 0 0 "[ . 1]" 1
960 1 77 TRP HZ3 1 79 TYR QD 3.150 . 4.500 3.237 2.553 4.002 . 0 0 "[ . 1]" 1
961 1 23 THR MG 1 78 GLU H 3.150 . 4.500 3.900 3.399 4.412 . 0 0 "[ . 1]" 1
962 1 77 TRP HA 1 78 GLU H 2.300 . 2.800 2.406 2.336 2.455 . 0 0 "[ . 1]" 1
963 1 77 TRP HB3 1 78 GLU H 2.650 . 3.500 3.626 3.511 3.842 0.342 8 0 "[ . 1]" 1
964 1 23 THR HB 1 78 GLU H 3.750 . 5.700 6.131 5.544 6.644 0.944 1 5 "[+* *- *1]" 1
965 1 77 TRP HE3 1 78 GLU H 2.650 . 3.500 3.187 2.852 3.448 . 0 0 "[ . 1]" 1
966 1 68 CYS QB 1 78 GLU H 3.750 . 5.700 5.094 4.961 5.291 . 0 0 "[ . 1]" 1
967 1 68 CYS HA 1 78 GLU H 3.750 . 5.700 4.982 4.839 5.217 . 0 0 "[ . 1]" 1
968 1 78 GLU H 1 79 TYR HA 3.750 . 5.700 4.755 4.654 4.801 . 0 0 "[ . 1]" 1
969 1 78 GLU H 1 78 GLU HA 2.650 . 3.500 2.906 2.883 2.923 . 0 0 "[ . 1]" 1
970 1 78 GLU H 1 79 TYR H 3.150 . 4.500 4.365 4.348 4.386 . 0 0 "[ . 1]" 1
971 1 78 GLU H 1 78 GLU QG 3.400 . 5.000 3.769 3.555 3.974 . 0 0 "[ . 1]" 1
972 1 78 GLU H 1 78 GLU HB2 3.150 . 4.500 2.789 2.721 2.853 . 0 0 "[ . 1]" 1
973 1 78 GLU H 1 78 GLU HB3 2.650 . 3.500 3.730 3.600 3.815 0.315 1 0 "[ . 1]" 1
974 1 77 TRP HB2 1 78 GLU H 3.150 . 4.500 2.387 2.272 2.539 . 0 0 "[ . 1]" 1
975 1 70 THR MG 1 78 GLU H 3.750 . 5.700 3.683 3.266 4.813 . 0 0 "[ . 1]" 1
976 1 78 GLU HA 1 78 GLU QG 3.150 . 4.500 2.660 2.564 2.776 . 0 0 "[ . 1]" 1
977 1 78 GLU HA 1 78 GLU HB3 2.650 . 3.500 2.691 2.625 2.774 . 0 0 "[ . 1]" 1
978 1 78 GLU HB3 1 78 GLU QG 2.650 . 3.500 2.332 2.268 2.416 . 0 0 "[ . 1]" 1
979 1 23 THR MG 1 78 GLU HB2 3.150 . 4.500 2.439 2.073 2.740 . 0 0 "[ . 1]" 1
980 1 78 GLU HB2 1 78 GLU QG 2.650 . 3.500 2.161 2.150 2.167 . 0 0 "[ . 1]" 1
981 1 23 THR HB 1 78 GLU QG 3.150 . 4.500 4.237 3.828 4.604 0.104 5 0 "[ . 1]" 1
982 1 24 MET QG 1 79 TYR H 3.150 . 4.500 5.096 4.154 6.007 1.507 9 6 "[*- *** +1]" 1
983 1 67 TRP HA 1 79 TYR H 3.750 . 5.700 5.320 4.969 5.517 . 0 0 "[ . 1]" 1
984 1 78 GLU QG 1 79 TYR H 3.150 . 4.500 3.963 3.600 4.132 . 0 0 "[ . 1]" 1
985 1 23 THR HB 1 79 TYR H 3.750 . 5.700 5.549 4.795 6.250 0.550 1 1 "[+ . 1]" 1
986 1 77 TRP HE3 1 79 TYR H 3.150 . 4.500 4.167 3.809 4.898 0.398 1 0 "[ . 1]" 1
987 1 79 TYR H 1 80 CYS H 3.150 . 4.500 4.587 4.566 4.614 0.114 1 0 "[ . 1]" 1
988 1 79 TYR H 1 79 TYR QD 3.150 . 4.500 3.050 2.574 3.362 . 0 0 "[ . 1]" 1
989 1 79 TYR H 1 79 TYR HA 2.650 . 3.500 2.910 2.885 2.938 . 0 0 "[ . 1]" 1
990 1 79 TYR H 1 79 TYR HB3 2.650 . 3.500 3.585 3.449 3.655 0.155 5 0 "[ . 1]" 1
991 1 79 TYR H 1 79 TYR HB2 2.650 . 3.500 2.381 2.172 2.702 . 0 0 "[ . 1]" 1
992 1 78 GLU HB2 1 79 TYR H 3.150 . 4.500 3.990 3.864 4.114 . 0 0 "[ . 1]" 1
993 1 78 GLU HB3 1 79 TYR H 3.150 . 4.500 2.685 2.506 2.877 . 0 0 "[ . 1]" 1
994 1 78 GLU HA 1 79 TYR H 2.300 . 2.800 2.307 2.261 2.362 . 0 0 "[ . 1]" 1
995 1 79 TYR HA 1 79 TYR HB2 2.650 . 3.500 3.007 2.957 3.030 . 0 0 "[ . 1]" 1
996 1 79 TYR HA 1 79 TYR HB3 2.650 . 3.500 2.552 2.369 2.701 . 0 0 "[ . 1]" 1
997 1 79 TYR HB3 1 79 TYR QD 2.650 . 3.500 2.564 2.403 2.775 . 0 0 "[ . 1]" 1
998 1 65 ARG QD 1 79 TYR HB3 3.150 . 4.500 3.319 1.862 4.419 . 0 0 "[ . 1]" 1
999 1 79 TYR HB2 1 79 TYR QD 2.650 . 3.500 2.315 2.272 2.388 . 0 0 "[ . 1]" 1
1000 1 77 TRP HH2 1 79 TYR QE 3.150 . 4.500 3.370 2.724 4.203 . 0 0 "[ . 1]" 1
1001 1 79 TYR QD 1 80 CYS H 2.650 . 3.500 3.461 2.735 4.205 0.705 1 3 "[+ - *1]" 1
1002 1 80 CYS H 1 80 CYS QB 2.650 . 3.500 2.468 2.377 2.555 . 0 0 "[ . 1]" 1
1003 1 67 TRP HA 1 80 CYS H 2.650 . 3.500 3.031 2.649 3.235 . 0 0 "[ . 1]" 1
1004 1 23 THR MG 1 80 CYS QB 3.750 . 5.700 3.507 2.316 4.101 . 0 0 "[ . 1]" 1
1005 1 79 TYR HA 1 80 CYS H 2.300 . 2.800 2.289 2.231 2.375 . 0 0 "[ . 1]" 1
1006 1 80 CYS QB 1 82 ILE MD 3.150 . 4.500 2.874 2.373 3.400 . 0 0 "[ . 1]" 1
1007 1 80 CYS HA 1 80 CYS QB 2.650 . 3.500 2.465 2.372 2.522 . 0 0 "[ . 1]" 1
1008 1 80 CYS QB 1 82 ILE QG 3.150 . 4.500 3.234 2.873 3.976 . 0 0 "[ . 1]" 1
1009 1 79 TYR HB3 1 80 CYS H 2.650 . 3.500 2.795 2.586 3.029 . 0 0 "[ . 1]" 1
1010 1 80 CYS H 1 81 ASP H 3.150 . 4.500 4.400 4.329 4.491 . 0 0 "[ . 1]" 1
1011 1 66 PRO HB2 1 80 CYS H 3.400 . 5.000 4.279 3.937 4.565 . 0 0 "[ . 1]" 1
1012 1 66 PRO HB3 1 80 CYS H 3.750 . 5.700 5.740 5.456 6.062 0.362 7 0 "[ . 1]" 1
1013 1 67 TRP H 1 80 CYS H 3.150 . 4.500 5.106 4.861 5.333 0.833 8 6 "[ * .**+-*]" 1
1014 1 57 CYS QB 1 80 CYS QB 3.150 . 4.500 3.364 3.167 3.775 . 0 0 "[ . 1]" 1
1015 1 80 CYS QB 1 81 ASP H 2.650 . 3.500 3.587 3.257 3.809 0.309 1 0 "[ . 1]" 1
1016 1 24 MET H 1 81 ASP H 3.150 . 4.500 4.486 4.186 5.147 0.647 4 1 "[ +. 1]" 1
1017 1 80 CYS HA 1 81 ASP H 2.650 . 3.500 2.195 2.166 2.261 . 0 0 "[ . 1]" 1
1018 1 81 ASP H 1 81 ASP QB 2.650 . 3.500 2.284 2.242 2.351 . 0 0 "[ . 1]" 1
1019 1 81 ASP H 1 82 ILE MD 3.750 . 5.700 5.082 3.878 5.583 . 0 0 "[ . 1]" 1
1020 1 24 MET HA 1 81 ASP H 3.150 . 4.500 5.291 4.630 6.208 1.708 4 6 "[* +**- *1]" 1
1021 1 81 ASP H 1 82 ILE H 3.150 . 4.500 4.407 4.375 4.464 . 0 0 "[ . 1]" 1
1022 1 24 MET HB3 1 81 ASP H 3.150 . 4.500 3.395 2.823 4.343 . 0 0 "[ . 1]" 1
1023 1 81 ASP HA 1 81 ASP QB 2.650 . 3.500 2.354 2.289 2.471 . 0 0 "[ . 1]" 1
1024 1 24 MET HB3 1 81 ASP QB 3.150 . 4.500 3.721 3.286 4.434 . 0 0 "[ . 1]" 1
1025 1 65 ARG QD 1 82 ILE H 3.750 . 5.700 4.190 3.465 6.229 0.529 8 1 "[ . + 1]" 1
1026 1 82 ILE H 1 82 ILE HB 2.650 . 3.500 2.664 2.562 2.793 . 0 0 "[ . 1]" 1
1027 1 81 ASP QB 1 82 ILE H 3.400 . 4.500 3.807 3.737 3.851 . 0 0 "[ . 1]" 1
1028 1 81 ASP HA 1 82 ILE H 2.650 . 3.500 2.114 2.099 2.131 . 0 0 "[ . 1]" 1
1029 1 82 ILE H 1 82 ILE QG 2.650 . 3.500 2.885 2.538 3.666 0.166 2 0 "[ . 1]" 1
1030 1 82 ILE H 1 82 ILE HA 2.650 . 3.500 2.944 2.940 2.950 . 0 0 "[ . 1]" 1
1031 1 82 ILE H 1 83 PRO HD2 3.400 . 5.000 4.787 4.654 5.043 0.043 2 0 "[ . 1]" 1
1032 1 82 ILE HA 1 83 PRO HD3 2.650 . 3.500 2.456 2.050 2.648 . 0 0 "[ . 1]" 1
1033 1 82 ILE HA 1 83 PRO HD2 2.650 . 3.500 2.102 1.918 2.416 . 0 0 "[ . 1]" 1
1034 1 82 ILE HA 1 82 ILE MG 3.150 . 4.500 2.437 2.303 2.574 . 0 0 "[ . 1]" 1
1035 1 82 ILE HB 1 82 ILE QG 2.650 . 3.500 2.439 2.356 2.530 . 0 0 "[ . 1]" 1
1036 1 16 TYR QE 1 82 ILE MG 3.150 . 4.500 3.394 2.990 3.948 . 0 0 "[ . 1]" 1
1037 1 82 ILE QG 1 82 ILE MG 3.150 . 4.500 2.204 2.090 2.315 . 0 0 "[ . 1]" 1
1038 1 9 MET HB2 1 82 ILE MG 3.150 . 4.500 3.700 3.377 4.246 . 0 0 "[ . 1]" 1
1039 1 83 PRO HA 1 84 ARG QB 3.750 . 5.700 4.216 4.034 4.482 . 0 0 "[ . 1]" 1
1040 1 83 PRO HD2 1 83 PRO HG3 2.650 . 3.500 2.765 2.669 2.973 . 0 0 "[ . 1]" 1
1041 1 83 PRO HD3 1 83 PRO HG3 2.650 . 3.500 2.299 2.277 2.316 . 0 0 "[ . 1]" 1
1042 1 83 PRO HA 1 83 PRO HD3 3.150 . 4.500 3.303 3.175 3.558 . 0 0 "[ . 1]" 1
1043 1 82 ILE MG 1 83 PRO HD2 3.750 . 5.700 2.061 1.989 2.197 . 0 0 "[ . 1]" 1
1044 1 82 ILE MG 1 83 PRO HD3 3.150 . 4.500 3.413 3.153 3.579 . 0 0 "[ . 1]" 1
1045 1 83 PRO HA 1 83 PRO HD2 3.150 . 4.500 3.988 3.915 4.038 . 0 0 "[ . 1]" 1
1046 1 83 PRO HD2 1 83 PRO HG2 2.650 . 3.500 2.306 2.282 2.320 . 0 0 "[ . 1]" 1
1047 1 84 ARG H 1 84 ARG HD3 3.150 . 4.500 4.699 4.236 5.213 0.713 8 2 "[ .- + 1]" 1
1048 1 8 CYS HA 1 84 ARG H 3.400 . 5.000 7.010 6.569 7.567 2.567 5 10 [****+-****] 1
1049 1 8 CYS QB 1 84 ARG H 3.150 . 4.500 7.887 7.428 8.307 3.807 2 10 [*+-*******] 1
1050 1 9 MET H 1 84 ARG H 3.150 . 4.500 5.957 5.704 6.302 1.802 2 10 [-+********] 1
1051 1 83 PRO HA 1 84 ARG H 2.300 . 2.800 2.157 2.136 2.191 . 0 0 "[ . 1]" 1
1052 1 83 PRO QB 1 84 ARG H 3.150 . 4.500 3.301 3.216 3.372 . 0 0 "[ . 1]" 1
1053 1 84 ARG H 1 84 ARG HA 2.650 . 3.500 2.921 2.913 2.928 . 0 0 "[ . 1]" 1
1054 1 84 ARG H 1 84 ARG QB 2.300 . 2.800 2.583 2.230 2.946 0.146 1 0 "[ . 1]" 1
1055 1 84 ARG QB 1 84 ARG HD3 2.650 . 3.500 2.365 2.265 2.480 . 0 0 "[ . 1]" 1
1056 1 84 ARG QB 1 84 ARG HD2 2.650 . 3.500 3.098 2.357 3.300 . 0 0 "[ . 1]" 1
1057 1 84 ARG HA 1 84 ARG HG2 3.150 . 4.500 3.620 3.135 3.798 . 0 0 "[ . 1]" 1
1058 1 84 ARG HD2 1 84 ARG HG2 2.650 . 3.500 2.600 2.389 3.016 . 0 0 "[ . 1]" 1
1059 1 85 CYS H 1 85 CYS QB 2.650 . 2.800 2.314 2.172 2.653 . 0 0 "[ . 1]" 1
1060 1 8 CYS HA 1 85 CYS H 3.400 . 5.000 6.536 5.738 7.495 2.495 4 10 [***+*-****] 1
1061 1 84 ARG HG2 1 85 CYS H 3.150 . 4.500 4.068 2.330 4.867 0.367 1 0 "[ . 1]" 1
1062 1 85 CYS H 1 85 CYS HA 2.650 . 3.500 2.904 2.874 2.933 . 0 0 "[ . 1]" 1
1063 1 84 ARG HA 1 85 CYS H 2.300 . 2.800 2.314 2.267 2.360 . 0 0 "[ . 1]" 1
1064 1 8 CYS QB 1 85 CYS H 3.400 . 5.000 6.280 5.774 7.010 2.010 4 10 [***+*-****] 1
1065 1 85 CYS HA 1 85 CYS QB 2.650 . 3.500 2.452 2.378 2.529 . 0 0 "[ . 1]" 1
1066 1 8 CYS QB 1 85 CYS QB 3.150 . 4.500 4.343 2.892 5.666 1.166 4 2 "[ +- 1]" 1
1067 1 86 ALA H 1 86 ALA HA 2.650 . 3.500 2.880 2.818 2.945 . 0 0 "[ . 1]" 1
1068 1 85 CYS QB 1 86 ALA H 3.150 . 3.500 3.495 2.580 3.873 0.373 8 0 "[ . 1]" 1
1069 1 86 ALA H 1 86 ALA MB 2.650 . 3.500 2.281 2.210 2.425 . 0 0 "[ . 1]" 1
1070 1 8 CYS QB 1 86 ALA H 3.750 . 5.700 5.719 5.109 6.421 0.721 4 2 "[ -+. 1]" 1
1071 1 86 ALA H 1 87 ALA H 3.150 . 4.500 2.824 2.269 4.468 . 0 0 "[ . 1]" 1
1072 1 85 CYS HA 1 86 ALA H 2.300 . 2.800 2.232 2.137 2.659 . 0 0 "[ . 1]" 1
1073 1 85 CYS HA 1 87 ALA H 3.150 . 4.500 4.314 3.510 5.844 1.344 10 2 "[ - +]" 1
1074 1 85 CYS QB 1 87 ALA H 3.150 . 4.500 4.049 2.702 5.468 0.968 8 2 "[ . + -]" 1
1075 1 87 ALA H 1 87 ALA MB 2.650 . 3.500 2.466 2.278 2.629 . 0 0 "[ . 1]" 1
1076 1 87 ALA H 1 87 ALA HA 2.650 . 3.500 2.927 2.892 2.942 . 0 0 "[ . 1]" 1
1077 2 7 THR H 2 8 ALA H 2.500 . 3.500 2.943 2.503 3.678 0.178 7 0 "[ . 1]" 1
1078 2 8 ALA H 2 9 ASP H 2.500 . 3.000 2.809 2.585 3.111 0.111 2 0 "[ . 1]" 1
1079 2 9 ASP H 2 10 ALA H 2.500 . 3.000 2.821 2.568 2.940 . 0 0 "[ . 1]" 1
1080 2 10 ALA H 2 11 GLU H 2.500 . 3.000 2.606 2.517 2.672 . 0 0 "[ . 1]" 1
1081 2 11 GLU H 2 12 LEU H 2.500 . 3.000 2.621 2.525 2.760 . 0 0 "[ . 1]" 1
1082 2 12 LEU H 2 13 GLN H 2.500 . 3.000 2.630 2.576 2.719 . 0 0 "[ . 1]" 1
1083 2 13 GLN H 2 14 ARG H 2.500 . 3.000 2.691 2.583 2.736 . 0 0 "[ . 1]" 1
1084 2 16 LYS H 2 17 ASN H 2.500 . 3.000 2.564 2.502 2.615 . 0 0 "[ . 1]" 1
1085 2 19 ARG H 2 20 HIS H 2.500 . 3.000 2.555 2.496 2.651 . 0 0 "[ . 1]" 1
1086 2 20 HIS H 2 21 GLU H 2.500 . 3.000 2.658 2.522 2.781 . 0 0 "[ . 1]" 1
1087 2 21 GLU H 2 22 GLU H 2.500 . 3.000 2.517 2.458 2.570 . 0 0 "[ . 1]" 1
1088 2 22 GLU H 2 23 ALA H 2.500 . 3.000 2.462 2.345 2.530 . 0 0 "[ . 1]" 1
1089 2 23 ALA H 2 24 GLU H 2.500 . 3.000 2.723 2.678 2.785 . 0 0 "[ . 1]" 1
1090 2 24 GLU H 2 25 LEU H 2.500 . 3.000 2.512 2.431 2.589 . 0 0 "[ . 1]" 1
1091 2 25 LEU H 2 26 GLU H 2.500 . 3.000 2.403 2.295 2.544 . 0 0 "[ . 1]" 1
1092 2 26 GLU H 2 27 ARG H 2.500 . 3.000 2.716 2.591 2.828 . 0 0 "[ . 1]" 1
1093 2 36 ASP H 2 37 LYS H 2.500 . 3.000 2.649 2.396 2.779 . 0 0 "[ . 1]" 1
1094 2 37 LYS H 2 38 LYS H 2.500 . 3.000 2.541 2.155 2.759 . 0 0 "[ . 1]" 1
1095 2 41 GLU H 2 42 ARG H 2.500 . 3.000 2.850 2.178 3.249 0.249 4 0 "[ . 1]" 1
1096 2 42 ARG H 2 43 LYS H 2.500 . 3.000 2.582 1.786 3.096 0.214 4 0 "[ . 1]" 1
1097 2 43 LYS H 2 44 ALA H 2.500 . 3.000 3.270 2.330 4.277 1.277 8 3 "[ - *+ 1]" 1
1098 2 44 ALA H 2 45 LEU H 2.500 . 3.000 2.651 2.229 3.062 0.062 4 0 "[ . 1]" 1
1099 2 45 LEU H 2 46 GLU H 2.500 . 3.000 2.741 2.473 2.956 . 0 0 "[ . 1]" 1
1100 2 46 GLU H 2 47 ASP H 2.500 . 3.500 2.485 2.045 2.801 . 0 0 "[ . 1]" 1
1101 2 47 ASP H 2 48 LYS H 2.500 . 3.500 2.663 2.187 2.994 . 0 0 "[ . 1]" 1
1102 2 49 LEU H 2 50 ALA H 2.500 . 3.500 3.982 2.507 4.589 1.089 2 6 "[*+-** * 1]" 1
1103 2 3 VAL H 2 3 VAL HA 2.500 . 3.000 2.934 2.893 2.953 . 0 0 "[ . 1]" 1
1104 2 4 GLU H 2 4 GLU HA 2.500 . 3.000 2.906 2.849 2.948 . 0 0 "[ . 1]" 1
1105 2 7 THR H 2 7 THR HA 2.500 . 3.000 2.270 2.258 2.280 . 0 0 "[ . 1]" 1
1106 2 8 ALA H 2 8 ALA HA 2.500 . 3.000 2.805 2.759 2.850 . 0 0 "[ . 1]" 1
1107 2 9 ASP H 2 9 ASP HA 2.500 . 3.000 2.779 2.752 2.834 . 0 0 "[ . 1]" 1
1108 2 10 ALA H 2 10 ALA HA 2.500 . 3.000 2.828 2.811 2.841 . 0 0 "[ . 1]" 1
1109 2 12 LEU H 2 12 LEU HA 2.500 . 3.000 2.814 2.790 2.836 . 0 0 "[ . 1]" 1
1110 2 13 GLN H 2 13 GLN HA 2.500 . 3.000 2.809 2.794 2.848 . 0 0 "[ . 1]" 1
1111 2 14 ARG H 2 14 ARG HA 2.500 . 3.000 2.830 2.814 2.849 . 0 0 "[ . 1]" 1
1112 2 15 LEU H 2 15 LEU HA 2.500 . 3.000 2.793 2.779 2.813 . 0 0 "[ . 1]" 1
1113 2 16 LYS H 2 16 LYS HA 2.500 . 3.000 2.833 2.813 2.858 . 0 0 "[ . 1]" 1
1114 2 17 ASN H 2 17 ASN HA 2.500 . 3.000 2.815 2.799 2.841 . 0 0 "[ . 1]" 1
1115 2 18 GLU H 2 18 GLU HA 2.500 . 3.000 2.886 2.866 2.904 . 0 0 "[ . 1]" 1
1116 2 19 ARG H 2 19 ARG HA 2.500 . 3.000 2.841 2.820 2.855 . 0 0 "[ . 1]" 1
1117 2 20 HIS H 2 20 HIS HA 2.500 . 3.000 2.822 2.796 2.843 . 0 0 "[ . 1]" 1
1118 2 21 GLU H 2 21 GLU HA 2.500 . 3.000 2.838 2.823 2.851 . 0 0 "[ . 1]" 1
1119 2 22 GLU H 2 22 GLU HA 2.500 . 3.000 2.883 2.871 2.897 . 0 0 "[ . 1]" 1
1120 2 23 ALA H 2 23 ALA HA 2.500 . 3.000 2.797 2.788 2.810 . 0 0 "[ . 1]" 1
1121 2 24 GLU H 2 24 GLU HA 2.500 . 3.000 2.850 2.833 2.870 . 0 0 "[ . 1]" 1
1122 2 25 LEU H 2 25 LEU HA 2.500 . 3.000 2.874 2.842 2.888 . 0 0 "[ . 1]" 1
1123 2 26 GLU H 2 26 GLU HA 2.500 . 3.000 2.775 2.745 2.804 . 0 0 "[ . 1]" 1
1124 2 27 ARG H 2 27 ARG HA 2.500 . 3.000 2.829 2.809 2.846 . 0 0 "[ . 1]" 1
1125 2 28 LEU H 2 28 LEU HA 2.500 . 3.000 2.831 2.803 2.868 . 0 0 "[ . 1]" 1
1126 2 34 ASP H 2 34 ASP HA 2.500 . 3.000 2.936 2.910 2.951 . 0 0 "[ . 1]" 1
1127 2 35 HIS H 2 35 HIS HA 2.500 . 3.000 2.829 2.800 2.871 . 0 0 "[ . 1]" 1
1128 2 36 ASP H 2 36 ASP HA 2.500 . 3.000 2.829 2.778 2.885 . 0 0 "[ . 1]" 1
1129 2 37 LYS H 2 37 LYS HA 2.500 . 3.000 2.843 2.786 2.927 . 0 0 "[ . 1]" 1
1130 2 38 LYS H 2 38 LYS HA 2.500 . 3.000 2.783 2.679 2.933 . 0 0 "[ . 1]" 1
1131 2 39 GLU H 2 39 GLU HA 2.500 . 3.000 2.855 2.787 2.928 . 0 0 "[ . 1]" 1
1132 2 40 ALA H 2 40 ALA HA 2.500 . 3.000 2.823 2.688 2.924 . 0 0 "[ . 1]" 1
1133 2 41 GLU H 2 41 GLU HA 2.500 . 3.000 2.828 2.613 2.948 . 0 0 "[ . 1]" 1
1134 2 42 ARG H 2 42 ARG HA 2.500 . 3.000 2.823 2.688 2.926 . 0 0 "[ . 1]" 1
1135 2 43 LYS H 2 43 LYS HA 2.500 . 3.000 2.740 2.245 2.917 . 0 0 "[ . 1]" 1
1136 2 44 ALA H 2 44 ALA HA 2.500 . 3.000 2.821 2.716 2.940 . 0 0 "[ . 1]" 1
1137 2 45 LEU H 2 45 LEU HA 2.500 . 3.000 2.789 2.725 2.854 . 0 0 "[ . 1]" 1
1138 2 46 GLU H 2 46 GLU HA 2.500 . 3.000 2.862 2.824 2.939 . 0 0 "[ . 1]" 1
1139 2 47 ASP H 2 47 ASP HA 2.500 . 3.000 2.828 2.741 2.927 . 0 0 "[ . 1]" 1
1140 2 51 ASP H 2 51 ASP HA 2.500 . 3.000 2.901 2.850 2.955 . 0 0 "[ . 1]" 1
1141 2 52 TYR H 2 52 TYR HA 2.500 . 3.000 2.929 2.909 2.945 . 0 0 "[ . 1]" 1
1142 2 7 THR HA 2 8 ALA H 3.500 3.000 4.000 2.764 2.121 3.538 0.879 7 3 "[ -. + *1]" 1
1143 2 9 ASP HA 2 10 ALA H 3.500 3.000 4.000 3.549 3.526 3.563 . 0 0 "[ . 1]" 1
1144 2 12 LEU HA 2 13 GLN H 3.500 3.000 4.000 3.529 3.511 3.539 . 0 0 "[ . 1]" 1
1145 2 15 LEU HA 2 16 LYS H 3.500 3.000 4.000 3.512 3.475 3.534 . 0 0 "[ . 1]" 1
1146 2 18 GLU HA 2 19 ARG H 3.500 3.000 4.000 3.523 3.467 3.555 . 0 0 "[ . 1]" 1
1147 2 19 ARG HA 2 20 HIS H 3.500 3.000 4.000 3.511 3.467 3.539 . 0 0 "[ . 1]" 1
1148 2 22 GLU HA 2 23 ALA H 3.500 3.000 4.000 3.550 3.540 3.565 . 0 0 "[ . 1]" 1
1149 2 23 ALA HA 2 24 GLU H 3.500 3.000 4.000 3.539 3.525 3.554 . 0 0 "[ . 1]" 1
1150 2 24 GLU HA 2 25 LEU H 3.500 3.000 4.000 3.461 3.424 3.497 . 0 0 "[ . 1]" 1
1151 2 27 ARG HA 2 28 LEU H 3.500 3.000 4.000 3.535 3.506 3.547 . 0 0 "[ . 1]" 1
1152 2 28 LEU HA 2 29 LYS H 3.500 3.000 4.000 3.513 3.484 3.536 . 0 0 "[ . 1]" 1
1153 2 34 ASP HA 2 35 HIS H 3.500 3.000 4.000 2.149 2.127 2.188 0.873 10 10 [*-*******+] 1
1154 2 45 LEU HA 2 46 GLU H 3.500 3.000 4.000 3.512 3.449 3.575 . 0 0 "[ . 1]" 1
1155 2 47 ASP HA 2 48 LYS H 3.500 3.000 4.500 3.533 3.465 3.576 . 0 0 "[ . 1]" 1
1156 2 48 LYS HA 2 49 LEU H 3.500 3.000 4.500 3.541 3.363 3.587 . 0 0 "[ . 1]" 1
1157 2 49 LEU HA 2 50 ALA H 3.500 3.000 4.500 2.544 2.104 3.372 0.896 5 6 "[ ***+ * -]" 1
1158 2 7 THR HA 2 9 ASP H 4.400 3.400 5.400 4.085 3.650 4.712 . 0 0 "[ . 1]" 1
1159 2 9 ASP HA 2 11 GLU H 4.400 3.400 5.400 4.453 4.335 4.552 . 0 0 "[ . 1]" 1
1160 2 13 GLN HA 2 15 LEU H 4.400 3.400 5.400 4.407 4.355 4.538 . 0 0 "[ . 1]" 1
1161 2 14 ARG HA 2 16 LYS H 4.400 3.400 5.400 4.143 4.036 4.284 . 0 0 "[ . 1]" 1
1162 2 16 LYS HA 2 18 GLU H 4.400 3.400 5.400 3.994 3.911 4.057 . 0 0 "[ . 1]" 1
1163 2 20 HIS HA 2 22 GLU H 4.400 3.400 5.400 3.894 3.777 4.091 . 0 0 "[ . 1]" 1
1164 2 27 ARG HA 2 29 LYS H 4.400 3.400 5.400 4.347 4.242 4.445 . 0 0 "[ . 1]" 1
1165 2 36 ASP HA 2 38 LYS H 4.400 3.400 5.400 4.294 3.429 4.809 . 0 0 "[ . 1]" 1
1166 2 43 LYS HA 2 45 LEU H 4.400 3.400 5.400 4.059 3.336 4.903 0.064 7 0 "[ . 1]" 1
1167 2 7 THR HA 2 10 ALA H 3.500 2.500 4.500 3.788 3.152 4.521 0.021 7 0 "[ . 1]" 1
1168 2 9 ASP HA 2 12 LEU H 3.500 3.000 4.000 3.565 3.356 3.728 . 0 0 "[ . 1]" 1
1169 2 10 ALA HA 2 13 GLN H 3.500 3.000 4.000 3.505 3.323 3.722 . 0 0 "[ . 1]" 1
1170 2 20 HIS HA 2 23 ALA H 3.500 3.000 4.000 3.503 3.314 3.764 . 0 0 "[ . 1]" 1
1171 2 22 GLU HA 2 25 LEU H 3.500 3.000 4.000 3.439 3.276 3.590 . 0 0 "[ . 1]" 1
1172 2 23 ALA HA 2 26 GLU H 3.500 3.000 4.000 3.481 3.268 3.650 . 0 0 "[ . 1]" 1
1173 2 36 ASP HA 2 39 GLU H 3.500 3.000 4.000 4.087 3.532 6.030 2.030 8 1 "[ . + 1]" 1
1174 2 40 ALA HA 2 43 LYS H 3.500 3.000 4.000 5.277 3.580 7.938 3.938 1 5 "[+ **- * 1]" 1
1175 2 42 ARG HA 2 45 LEU H 3.500 2.500 4.500 4.751 3.539 7.927 3.427 8 3 "[ .-*+ 1]" 1
1176 2 44 ALA HA 2 47 ASP H 3.500 3.000 5.000 3.386 2.972 4.011 0.028 8 0 "[ . 1]" 1
1177 2 4 GLU H 2 4 GLU QB 3.500 2.500 5.000 2.765 2.514 2.909 . 0 0 "[ . 1]" 1
1178 2 6 LEU H 2 6 LEU QB 3.500 2.500 5.000 2.328 2.205 2.501 0.295 4 0 "[ . 1]" 1
1179 2 7 THR H 2 7 THR HB 3.500 2.500 5.000 3.810 3.709 3.980 . 0 0 "[ . 1]" 1
1180 2 8 ALA H 2 8 ALA MB 3.500 2.500 5.000 2.215 2.143 2.256 0.357 10 0 "[ . 1]" 1
1181 2 15 LEU H 2 15 LEU HB3 3.500 2.500 5.000 3.583 3.534 3.605 . 0 0 "[ . 1]" 1
1182 2 15 LEU H 2 15 LEU HB2 3.500 2.500 5.000 2.429 2.258 2.578 0.242 8 0 "[ . 1]" 1
1183 2 21 GLU H 2 21 GLU QB 3.500 2.500 5.000 2.247 2.067 2.467 0.433 5 0 "[ . 1]" 1
1184 2 28 LEU H 2 28 LEU HB3 3.500 2.500 5.000 3.523 3.466 3.559 . 0 0 "[ . 1]" 1
1185 2 28 LEU H 2 28 LEU HB2 3.500 2.500 5.000 2.249 2.170 2.319 0.330 9 0 "[ . 1]" 1
1186 2 34 ASP H 2 34 ASP QB 3.500 2.500 5.000 2.470 2.339 2.631 0.161 5 0 "[ . 1]" 1
1187 2 42 ARG H 2 42 ARG QB 3.500 2.500 5.000 2.426 2.204 3.106 0.296 9 0 "[ . 1]" 1
1188 2 45 LEU H 2 45 LEU HB3 3.500 2.500 5.000 3.541 3.505 3.598 . 0 0 "[ . 1]" 1
1189 2 45 LEU H 2 45 LEU HB2 3.500 2.500 5.000 2.311 2.200 2.544 0.300 8 0 "[ . 1]" 1
1190 2 48 LYS H 2 48 LYS QB 3.500 2.500 5.000 2.230 2.208 2.266 0.292 8 0 "[ . 1]" 1
1191 2 49 LEU H 2 49 LEU QB 3.500 2.500 5.000 2.438 2.195 2.913 0.305 3 0 "[ . 1]" 1
1192 2 9 ASP H 2 9 ASP QB 3.500 2.500 5.000 2.241 2.199 2.266 0.301 9 0 "[ . 1]" 1
1193 2 10 ALA H 2 10 ALA MB 3.500 2.500 5.000 2.224 2.133 2.254 0.367 2 0 "[ . 1]" 1
1194 2 11 GLU H 2 11 GLU QB 3.500 2.500 5.000 2.225 2.139 2.275 0.361 9 0 "[ . 1]" 1
1195 2 12 LEU H 2 12 LEU QB 3.500 2.500 5.000 2.191 2.154 2.207 0.346 10 0 "[ . 1]" 1
1196 2 13 GLN H 2 13 GLN QB 3.500 2.500 5.000 2.247 2.218 2.296 0.282 1 0 "[ . 1]" 1
1197 2 14 ARG H 2 14 ARG QB 3.500 2.500 5.000 2.354 2.265 2.453 0.235 10 0 "[ . 1]" 1
1198 2 16 LYS H 2 16 LYS QB 3.500 2.500 5.000 2.227 2.102 2.313 0.398 1 0 "[ . 1]" 1
1199 2 17 ASN H 2 17 ASN QB 3.500 2.500 5.000 2.457 2.323 2.630 0.177 3 0 "[ . 1]" 1
1200 2 19 ARG H 2 19 ARG QB 3.500 2.500 5.000 2.225 2.103 2.503 0.397 4 0 "[ . 1]" 1
1201 2 20 HIS H 2 20 HIS QB 3.500 2.500 5.000 2.151 2.044 2.242 0.456 1 0 "[ . 1]" 1
1202 2 22 GLU H 2 22 GLU QB 3.500 2.500 5.000 2.177 2.092 2.241 0.408 8 0 "[ . 1]" 1
1203 2 23 ALA H 2 23 ALA MB 3.500 2.500 5.000 2.202 2.153 2.230 0.347 10 0 "[ . 1]" 1
1204 2 24 GLU H 2 24 GLU QB 3.500 2.500 5.000 2.372 2.140 2.477 0.360 2 0 "[ . 1]" 1
1205 2 27 ARG H 2 27 ARG QB 3.500 2.500 5.000 2.277 2.239 2.308 0.261 2 0 "[ . 1]" 1
1206 2 28 LEU H 2 28 LEU QB 3.500 2.500 5.000 2.225 2.149 2.290 0.351 9 0 "[ . 1]" 1
1207 2 29 LYS H 2 29 LYS QB 3.500 2.500 5.000 2.224 2.166 2.257 0.334 2 0 "[ . 1]" 1
1208 2 30 SER H 2 30 SER QB 3.500 2.500 5.000 2.612 2.495 2.860 0.005 6 0 "[ . 1]" 1
1209 2 35 HIS H 2 35 HIS QB 3.500 2.500 5.000 2.239 2.086 2.379 0.414 4 0 "[ . 1]" 1
1210 2 36 ASP H 2 36 ASP QB 3.500 2.500 5.000 2.246 2.108 2.285 0.392 8 0 "[ . 1]" 1
1211 2 37 LYS H 2 37 LYS QB 3.500 2.500 5.000 2.268 2.137 2.596 0.363 1 0 "[ . 1]" 1
1212 2 38 LYS H 2 38 LYS QB 3.500 2.500 5.000 2.224 2.152 2.265 0.348 1 0 "[ . 1]" 1
1213 2 39 GLU H 2 39 GLU QB 3.500 2.500 5.000 2.436 2.201 2.930 0.299 8 0 "[ . 1]" 1
1214 2 40 ALA H 2 40 ALA MB 3.500 2.500 5.000 2.274 2.185 2.594 0.315 4 0 "[ . 1]" 1
1215 2 41 GLU H 2 41 GLU QB 3.500 2.500 5.000 2.300 2.058 2.536 0.442 9 0 "[ . 1]" 1
1216 2 44 ALA H 2 44 ALA MB 3.500 2.500 5.000 2.253 2.228 2.305 0.272 5 0 "[ . 1]" 1
1217 2 43 LYS H 2 43 LYS QB 3.500 2.500 5.000 2.391 2.091 3.160 0.409 4 0 "[ . 1]" 1
1218 2 46 GLU H 2 46 GLU QB 3.500 2.500 5.000 2.253 2.154 2.422 0.346 10 0 "[ . 1]" 1
1219 2 47 ASP H 2 47 ASP QB 3.500 2.500 5.000 2.254 2.079 2.390 0.421 7 0 "[ . 1]" 1
1220 2 6 LEU QB 2 7 THR H 3.500 2.500 5.000 3.225 2.624 3.880 . 0 0 "[ . 1]" 1
1221 2 7 THR HB 2 8 ALA H 3.500 2.500 5.000 4.004 2.550 4.343 . 0 0 "[ . 1]" 1
1222 2 8 ALA MB 2 9 ASP H 3.500 2.500 5.000 2.368 2.173 2.506 0.327 2 0 "[ . 1]" 1
1223 2 9 ASP QB 2 10 ALA H 3.500 2.500 5.000 2.539 2.464 2.617 0.036 4 0 "[ . 1]" 1
1224 2 11 GLU QB 2 12 LEU H 3.500 2.500 5.000 2.524 2.293 2.682 0.207 10 0 "[ . 1]" 1
1225 2 14 ARG QB 2 15 LEU H 3.500 2.500 5.000 2.689 2.618 2.747 . 0 0 "[ . 1]" 1
1226 2 15 LEU HB3 2 16 LYS H 3.500 2.500 5.000 3.586 3.444 3.712 . 0 0 "[ . 1]" 1
1227 2 15 LEU HB2 2 16 LYS H 3.500 2.500 5.000 2.701 2.535 2.850 . 0 0 "[ . 1]" 1
1228 2 16 LYS QB 2 17 ASN H 3.500 2.500 5.000 2.591 2.498 2.675 0.002 10 0 "[ . 1]" 1
1229 2 18 GLU HB3 2 19 ARG H 3.500 2.500 5.000 3.592 3.386 3.993 . 0 0 "[ . 1]" 1
1230 2 18 GLU HB2 2 19 ARG H 3.500 2.500 5.000 2.706 2.539 2.909 . 0 0 "[ . 1]" 1
1231 2 20 HIS QB 2 21 GLU H 3.500 2.500 5.000 3.070 2.442 3.401 0.058 10 0 "[ . 1]" 1
1232 2 21 GLU QB 2 22 GLU H 3.500 2.500 5.000 3.006 2.945 3.109 . 0 0 "[ . 1]" 1
1233 2 22 GLU QB 2 23 ALA H 3.500 2.500 5.000 2.487 2.273 2.895 0.227 6 0 "[ . 1]" 1
1234 2 23 ALA MB 2 24 GLU H 3.500 2.500 5.000 2.522 2.410 2.628 0.090 5 0 "[ . 1]" 1
1235 2 24 GLU QB 2 25 LEU H 3.500 2.500 5.000 2.958 2.906 3.068 . 0 0 "[ . 1]" 1
1236 2 27 ARG QB 2 28 LEU H 3.500 2.500 5.000 2.490 2.316 2.693 0.184 1 0 "[ . 1]" 1
1237 2 28 LEU HB3 2 29 LYS H 3.500 2.500 5.000 3.419 3.256 3.517 . 0 0 "[ . 1]" 1
1238 2 28 LEU HB2 2 29 LYS H 3.500 2.500 5.000 2.793 2.607 3.051 . 0 0 "[ . 1]" 1
1239 2 33 ALA MB 2 34 ASP H 3.500 2.500 5.000 2.261 2.109 2.471 0.391 8 0 "[ . 1]" 1
1240 2 34 ASP QB 2 35 HIS H 3.500 2.500 5.000 3.886 3.705 3.978 . 0 0 "[ . 1]" 1
1241 2 36 ASP QB 2 37 LYS H 3.500 2.500 5.000 2.628 2.200 3.621 0.300 10 0 "[ . 1]" 1
1242 2 37 LYS QB 2 38 LYS H 3.500 2.500 5.000 2.785 2.291 3.814 0.209 1 0 "[ . 1]" 1
1243 2 38 LYS QB 2 39 GLU H 3.500 2.500 5.000 2.981 2.453 3.880 0.047 1 0 "[ . 1]" 1
1244 2 41 GLU QB 2 42 ARG H 3.500 2.500 5.000 2.725 1.800 3.548 0.700 8 3 "[* -. + 1]" 1
1245 2 42 ARG QB 2 43 LYS H 3.500 2.500 5.000 2.878 2.198 3.471 0.302 8 0 "[ . 1]" 1
1246 2 44 ALA MB 2 45 LEU H 3.500 2.500 5.000 2.669 2.079 3.288 0.421 1 0 "[ . 1]" 1
1247 2 45 LEU HB3 2 46 GLU H 3.500 2.500 5.000 3.456 2.996 3.795 . 0 0 "[ . 1]" 1
1248 2 45 LEU HB2 2 46 GLU H 3.500 2.500 5.000 2.835 2.557 3.272 . 0 0 "[ . 1]" 1
1249 2 11 GLU H 2 11 GLU QG 3.500 2.500 5.000 3.956 3.789 4.027 . 0 0 "[ . 1]" 1
1250 2 12 LEU H 2 12 LEU HG 3.500 2.500 5.000 4.526 4.439 4.604 . 0 0 "[ . 1]" 1
1251 2 15 LEU H 2 15 LEU HG 3.500 2.500 5.000 2.422 2.135 2.772 0.365 6 0 "[ . 1]" 1
1252 2 22 GLU H 2 22 GLU QG 3.500 2.500 5.000 3.854 3.615 3.961 . 0 0 "[ . 1]" 1
1253 2 26 GLU H 2 26 GLU QG 3.500 2.500 5.000 2.248 1.987 2.574 0.513 8 1 "[ . + 1]" 1
1254 2 39 GLU H 2 39 GLU QG 3.500 2.500 5.000 2.353 1.959 2.767 0.541 1 2 "[+ . - 1]" 1
1255 2 15 LEU H 2 15 LEU MD1 3.500 2.500 5.000 3.629 3.565 3.676 . 0 0 "[ . 1]" 1
1256 2 25 LEU H 2 25 LEU MD1 3.500 2.500 5.000 3.909 3.710 3.995 . 0 0 "[ . 1]" 1
1257 2 25 LEU H 2 25 LEU MD2 3.500 2.500 5.000 4.056 3.706 4.405 . 0 0 "[ . 1]" 1
1258 2 28 LEU H 2 28 LEU MD2 3.500 2.500 5.000 4.043 3.842 4.157 . 0 0 "[ . 1]" 1
1259 2 29 LYS H 2 29 LYS QD 3.500 2.500 5.000 4.400 4.214 4.473 . 0 0 "[ . 1]" 1
1260 2 49 LEU H 2 49 LEU MD1 3.500 2.500 5.000 3.683 2.262 4.168 0.238 7 0 "[ . 1]" 1
1261 2 49 LEU H 2 49 LEU MD2 3.500 2.500 5.000 3.843 2.090 4.903 0.410 8 0 "[ . 1]" 1
1262 2 15 LEU HG 2 16 LYS H 3.500 2.500 5.000 4.477 4.201 4.752 . 0 0 "[ . 1]" 1
1263 2 28 LEU HA 2 31 GLU HB3 3.500 2.500 5.000 4.331 3.810 5.264 0.264 9 0 "[ . 1]" 1
1264 2 28 LEU HA 2 31 GLU HB2 3.500 2.500 5.000 2.829 2.291 4.154 0.209 1 0 "[ . 1]" 1
1265 1 47 PHE QE 2 8 ALA HA 2.650 . 3.500 3.114 2.395 3.849 0.349 1 0 "[ . 1]" 1
1266 1 47 PHE QD 2 8 ALA HA 3.150 . 4.500 4.803 4.149 5.890 1.390 9 3 "[- . +*]" 1
1267 1 47 PHE HZ 2 8 ALA HA 3.750 . 5.700 3.976 3.109 4.700 . 0 0 "[ . 1]" 1
1268 1 47 PHE QE 2 8 ALA MB 3.150 . 4.500 2.126 1.955 2.597 . 0 0 "[ . 1]" 1
1269 1 47 PHE QD 2 8 ALA MB 3.150 . 4.500 2.834 2.291 3.952 . 0 0 "[ . 1]" 1
1270 1 46 LYS QE 2 11 GLU QG 3.750 . 5.700 4.125 2.399 5.196 . 0 0 "[ . 1]" 1
1271 1 47 PHE QE 2 11 GLU HB3 3.150 . 4.500 3.908 3.115 4.872 0.372 9 0 "[ . 1]" 1
1272 1 47 PHE HZ 2 11 GLU HB3 3.150 . 4.500 3.271 2.236 4.135 . 0 0 "[ . 1]" 1
1273 1 47 PHE QE 2 11 GLU QG 3.150 . 4.500 4.310 3.248 6.219 1.719 9 1 "[ . +1]" 1
1274 1 47 PHE HZ 2 11 GLU QG 2.650 . 3.500 3.668 2.579 6.007 2.507 9 1 "[ . +1]" 1
1275 1 42 TYR QD 2 12 LEU MD1 3.150 . 4.500 3.225 2.874 3.591 . 0 0 "[ . 1]" 1
1276 1 42 TYR QE 2 12 LEU MD1 3.150 . 4.500 2.277 1.950 2.713 . 0 0 "[ . 1]" 1
1277 1 47 PHE QE 2 12 LEU MD1 3.750 . 5.700 2.497 1.960 2.872 . 0 0 "[ . 1]" 1
1278 1 47 PHE QD 2 12 LEU MD2 3.150 . 4.500 3.992 3.529 4.460 . 0 0 "[ . 1]" 1
1279 1 47 PHE QE 2 12 LEU MD2 3.150 . 4.500 3.416 2.859 3.976 . 0 0 "[ . 1]" 1
1280 1 47 PHE QD 2 12 LEU MD1 3.750 . 5.700 3.572 3.222 3.872 . 0 0 "[ . 1]" 1
1281 1 41 GLY HA3 2 15 LEU MD1 3.150 . 4.500 3.436 3.069 3.888 . 0 0 "[ . 1]" 1
1282 1 41 GLY H 2 15 LEU MD1 3.750 . 5.700 4.627 4.386 5.112 . 0 0 "[ . 1]" 1
1283 1 41 GLY H 2 15 LEU MD2 2.650 . 3.500 3.538 3.235 3.725 0.225 6 0 "[ . 1]" 1
1284 1 42 TYR QD 2 15 LEU MD1 3.750 . 5.700 3.184 2.881 3.492 . 0 0 "[ . 1]" 1
1285 1 42 TYR H 2 15 LEU MD1 3.750 . 5.700 4.022 3.688 4.481 . 0 0 "[ . 1]" 1
1286 1 42 TYR QD 2 15 LEU MD2 3.750 . 5.700 3.711 3.023 4.220 . 0 0 "[ . 1]" 1
1287 1 43 ILE H 2 15 LEU MD1 3.750 . 5.700 3.945 3.566 4.761 . 0 0 "[ . 1]" 1
1288 1 47 PHE HZ 2 15 LEU MD1 3.150 . 4.500 3.127 2.228 4.778 0.278 9 0 "[ . 1]" 1
1289 1 47 PHE QD 2 15 LEU MD1 3.750 . 5.700 4.549 3.908 5.121 . 0 0 "[ . 1]" 1
1290 1 47 PHE QE 2 15 LEU MD1 3.150 . 4.500 2.804 2.102 3.772 . 0 0 "[ . 1]" 1
1291 1 63 ASP H 2 16 LYS QG 3.750 . 5.700 6.619 5.833 7.636 1.936 2 7 "[ +**-** *1]" 1
1292 1 63 ASP H 2 16 LYS QD 3.150 . 3.500 6.113 4.821 7.218 3.718 2 10 [*+*****-**] 1
1293 1 63 ASP H 2 16 LYS QE 3.750 . 5.700 5.491 4.425 6.828 1.128 5 2 "[ - + 1]" 1
1294 1 67 TRP HZ2 2 19 ARG HE 2.650 . 3.500 3.362 2.784 3.762 0.262 9 0 "[ . 1]" 1
1295 1 67 TRP HZ3 2 19 ARG HD3 3.150 . 4.500 4.067 3.350 5.047 0.547 3 1 "[ + . 1]" 1
1296 1 69 PHE HZ 2 19 ARG HD2 3.150 . 4.500 3.875 2.547 5.105 0.605 1 1 "[+ . 1]" 1
1297 1 69 PHE HZ 2 19 ARG QG 3.150 . 4.500 3.936 3.668 4.257 . 0 0 "[ . 1]" 1
1298 1 69 PHE QE 2 19 ARG QG 3.150 . 4.500 4.133 3.657 4.598 0.098 10 0 "[ . 1]" 1
1299 1 77 TRP HE1 2 19 ARG QB 2.650 . 3.500 4.217 3.396 4.683 1.183 5 7 "[-***+* * 1]" 1
1300 1 77 TRP HD1 2 19 ARG HE 3.750 . 5.700 6.817 6.078 8.197 2.497 1 8 "[+****- **]" 1
1301 1 77 TRP HE1 2 20 HIS HA 3.150 . 4.500 6.455 5.858 6.974 2.474 5 10 [****+**-**] 1
1302 1 77 TRP HE1 2 20 HIS H 3.750 . 5.700 6.868 6.169 7.384 1.684 3 9 "[**+**-** *]" 1
1303 1 77 TRP HZ2 2 20 HIS H 3.150 . 4.500 6.152 4.644 7.260 2.760 8 9 "[-******+ *]" 1
1304 1 76 ARG HE 2 22 GLU QG 3.150 . 4.500 3.615 3.175 4.390 . 0 0 "[ . 1]" 1
1305 1 76 ARG QD 2 22 GLU HB2 3.150 . 4.500 4.746 4.506 5.156 0.656 1 1 "[+ . 1]" 1
1306 1 77 TRP HE1 2 23 ALA H 3.150 . 4.500 4.304 3.674 4.693 0.193 4 0 "[ . 1]" 1
1307 1 77 TRP HE1 2 23 ALA HA 3.150 . 4.500 4.278 3.010 4.908 0.408 2 0 "[ . 1]" 1
1308 1 77 TRP HE1 2 23 ALA MB 3.150 . 4.500 3.659 2.460 4.350 . 0 0 "[ . 1]" 1
1309 1 77 TRP HZ2 2 23 ALA MB 3.150 . 4.500 1.974 1.895 2.138 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 59
_Distance_constraint_stats_list.Viol_count 95
_Distance_constraint_stats_list.Viol_total 186.800
_Distance_constraint_stats_list.Viol_max 0.602
_Distance_constraint_stats_list.Viol_rms 0.0913
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0317
_Distance_constraint_stats_list.Viol_average_violations_only 0.1966
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 20 ILE 0.211 0.211 5 0 "[ . 1]"
1 21 SER 0.000 0.000 . 0 "[ . 1]"
1 23 THR 0.000 0.000 . 0 "[ . 1]"
1 27 LEU 0.000 0.000 . 0 "[ . 1]"
1 28 GLU 0.000 0.000 . 0 "[ . 1]"
1 29 CYS 0.000 0.000 . 0 "[ . 1]"
1 30 GLN 0.000 0.000 . 0 "[ . 1]"
1 31 ALA 0.848 0.380 10 0 "[ . 1]"
1 32 TRP 0.731 0.300 4 0 "[ . 1]"
1 34 SER 0.848 0.380 10 0 "[ . 1]"
1 54 LYS 0.731 0.300 4 0 "[ . 1]"
1 57 CYS 0.211 0.211 5 0 "[ . 1]"
1 58 ARG 6.063 0.579 3 2 "[ -+ . 1]"
1 66 PRO 1.028 0.240 10 0 "[ . 1]"
1 67 TRP 6.063 0.579 3 2 "[ -+ . 1]"
1 68 CYS 0.132 0.080 8 0 "[ . 1]"
1 69 PHE 0.000 0.000 . 0 "[ . 1]"
1 70 THR 0.000 0.000 . 0 "[ . 1]"
1 71 THR 0.000 0.000 . 0 "[ . 1]"
1 76 ARG 0.000 0.000 . 0 "[ . 1]"
1 78 GLU 0.132 0.080 8 0 "[ . 1]"
1 80 CYS 1.028 0.240 10 0 "[ . 1]"
2 8 ALA 0.000 0.000 . 0 "[ . 1]"
2 9 ASP 0.000 0.000 . 0 "[ . 1]"
2 10 ALA 0.000 0.000 . 0 "[ . 1]"
2 11 GLU 0.000 0.000 . 0 "[ . 1]"
2 12 LEU 0.000 0.000 . 0 "[ . 1]"
2 13 GLN 0.000 0.000 . 0 "[ . 1]"
2 14 ARG 0.000 0.000 . 0 "[ . 1]"
2 15 LEU 0.000 0.000 . 0 "[ . 1]"
2 16 LYS 0.000 0.000 . 0 "[ . 1]"
2 17 ASN 1.593 0.312 3 0 "[ . 1]"
2 18 GLU 0.275 0.230 8 0 "[ . 1]"
2 19 ARG 0.000 0.000 . 0 "[ . 1]"
2 20 HIS 0.000 0.000 . 0 "[ . 1]"
2 21 GLU 2.278 0.312 3 0 "[ . 1]"
2 22 GLU 0.275 0.230 8 0 "[ . 1]"
2 23 ALA 3.189 0.602 4 2 "[ +. - 1]"
2 24 GLU 3.923 0.448 8 0 "[ . 1]"
2 25 LEU 0.685 0.245 7 0 "[ . 1]"
2 26 GLU 0.000 0.000 . 0 "[ . 1]"
2 27 ARG 3.189 0.602 4 2 "[ +. - 1]"
2 28 LEU 3.923 0.448 8 0 "[ . 1]"
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 21 SER O 1 29 CYS H 2.000 . 2.500 1.963 1.778 2.286 . 0 0 "[ . 1]" 2
2 1 21 SER O 1 29 CYS N 3.000 2.500 3.500 2.921 2.752 3.222 . 0 0 "[ . 1]" 2
3 1 23 THR H 1 27 LEU O 2.000 . 2.500 2.213 2.021 2.429 . 0 0 "[ . 1]" 2
4 1 23 THR N 1 27 LEU O 3.000 2.500 3.500 3.069 2.901 3.250 . 0 0 "[ . 1]" 2
5 1 66 PRO O 1 80 CYS H 2.000 . 2.500 2.446 1.998 2.740 0.240 10 0 "[ . 1]" 2
6 1 66 PRO O 1 80 CYS N 3.000 2.500 3.500 3.406 2.923 3.719 0.219 10 0 "[ . 1]" 2
7 1 70 THR H 1 76 ARG O 2.000 . 2.500 1.937 1.843 2.059 . 0 0 "[ . 1]" 2
8 1 70 THR N 1 76 ARG O 3.000 2.500 3.500 2.862 2.773 3.004 . 0 0 "[ . 1]" 2
9 1 68 CYS H 1 78 GLU O 2.000 . 2.500 2.322 2.082 2.580 0.080 8 0 "[ . 1]" 2
10 1 68 CYS N 1 78 GLU O 3.000 2.500 3.500 3.286 3.037 3.544 0.044 8 0 "[ . 1]" 2
11 1 28 GLU O 1 71 THR H 2.000 . 2.500 2.070 1.877 2.226 . 0 0 "[ . 1]" 2
12 1 28 GLU O 1 71 THR N 3.000 2.500 3.500 3.046 2.858 3.190 . 0 0 "[ . 1]" 2
13 1 31 ALA O 1 34 SER H 2.000 . 2.500 2.497 2.229 2.880 0.380 10 0 "[ . 1]" 2
14 1 31 ALA O 1 34 SER N 3.000 2.500 3.500 3.341 3.110 3.653 0.153 10 0 "[ . 1]" 2
15 1 20 ILE O 1 57 CYS H 2.000 . 2.500 2.046 1.789 2.711 0.211 5 0 "[ . 1]" 2
16 1 20 ILE O 1 57 CYS N 3.000 2.500 3.500 2.915 2.689 3.466 . 0 0 "[ . 1]" 2
17 1 68 CYS O 1 78 GLU H 2.000 . 2.500 2.089 1.900 2.276 . 0 0 "[ . 1]" 2
18 1 68 CYS O 1 78 GLU N 3.000 2.500 3.500 3.045 2.859 3.234 . 0 0 "[ . 1]" 2
19 1 58 ARG O 1 67 TRP H 2.000 . 2.500 2.211 2.010 2.394 . 0 0 "[ . 1]" 2
20 1 58 ARG O 1 67 TRP N 3.000 2.500 3.500 3.168 2.969 3.358 . 0 0 "[ . 1]" 2
21 1 32 TRP H 1 54 LYS O 2.000 . 2.500 2.405 2.106 2.800 0.300 4 0 "[ . 1]" 2
22 1 32 TRP N 1 54 LYS O 3.000 2.500 3.500 3.256 3.005 3.614 0.114 4 0 "[ . 1]" 2
23 1 30 GLN H 1 69 PHE O 2.000 . 2.500 1.891 1.710 2.285 . 0 0 "[ . 1]" 2
24 1 30 GLN N 1 69 PHE O 3.000 2.500 3.500 2.827 2.686 3.099 . 0 0 "[ . 1]" 2
25 1 58 ARG H 1 67 TRP O 2.000 . 2.500 2.906 2.734 3.079 0.579 3 2 "[ -+ . 1]" 2
26 1 58 ARG N 1 67 TRP O 3.000 2.500 3.500 3.701 3.553 3.895 0.395 2 0 "[ . 1]" 2
27 2 24 GLU O 2 28 LEU H 2.000 . 2.500 2.745 2.522 2.948 0.448 8 0 "[ . 1]" 2
28 2 24 GLU O 2 28 LEU N 3.000 2.500 3.500 3.641 3.440 3.856 0.356 8 0 "[ . 1]" 2
29 2 23 ALA O 2 27 ARG H 2.000 . 2.500 2.728 2.428 3.102 0.602 4 2 "[ +. - 1]" 2
30 2 23 ALA O 2 27 ARG N 3.000 2.500 3.500 3.517 3.215 3.838 0.338 4 0 "[ . 1]" 2
31 2 22 GLU O 2 26 GLU H 2.000 . 2.500 2.012 1.869 2.143 . 0 0 "[ . 1]" 2
32 2 22 GLU O 2 26 GLU N 3.000 2.500 3.500 2.924 2.783 3.075 . 0 0 "[ . 1]" 2
33 2 21 GLU O 2 25 LEU H 2.000 . 2.500 2.514 2.280 2.745 0.245 7 0 "[ . 1]" 2
34 2 21 GLU O 2 25 LEU N 3.000 2.500 3.500 3.187 3.046 3.387 . 0 0 "[ . 1]" 2
35 2 20 HIS O 2 24 GLU H 2.000 . 2.500 2.152 2.086 2.306 . 0 0 "[ . 1]" 2
36 2 20 HIS O 2 24 GLU N 3.000 2.500 3.500 3.099 3.038 3.252 . 0 0 "[ . 1]" 2
37 2 19 ARG O 2 23 ALA H 2.000 . 2.500 1.854 1.715 1.988 . 0 0 "[ . 1]" 2
38 2 19 ARG O 2 23 ALA N 3.000 2.500 3.500 2.819 2.649 2.963 . 0 0 "[ . 1]" 2
39 2 18 GLU O 2 22 GLU H 2.000 . 2.500 2.423 2.180 2.730 0.230 8 0 "[ . 1]" 2
40 2 18 GLU O 2 22 GLU N 3.000 2.500 3.500 3.066 2.917 3.278 . 0 0 "[ . 1]" 2
41 2 17 ASN O 2 21 GLU H 2.000 . 2.500 2.535 2.088 2.812 0.312 3 0 "[ . 1]" 2
42 2 17 ASN O 2 21 GLU N 3.000 2.500 3.500 3.453 3.028 3.702 0.202 3 0 "[ . 1]" 2
43 2 16 LYS O 2 20 HIS H 2.000 . 2.500 1.962 1.832 2.136 . 0 0 "[ . 1]" 2
44 2 16 LYS O 2 20 HIS N 3.000 2.500 3.500 2.865 2.747 2.973 . 0 0 "[ . 1]" 2
45 2 15 LEU O 2 19 ARG H 2.000 . 2.500 2.013 1.947 2.129 . 0 0 "[ . 1]" 2
46 2 15 LEU O 2 19 ARG N 3.000 2.500 3.500 2.908 2.844 3.042 . 0 0 "[ . 1]" 2
47 2 14 ARG O 2 18 GLU H 2.000 . 2.500 2.160 1.998 2.234 . 0 0 "[ . 1]" 2
48 2 14 ARG O 2 18 GLU N 3.000 2.500 3.500 2.923 2.827 3.009 . 0 0 "[ . 1]" 2
49 2 13 GLN O 2 17 ASN H 2.000 . 2.500 2.240 2.065 2.415 . 0 0 "[ . 1]" 2
50 2 13 GLN O 2 17 ASN N 3.000 2.500 3.500 3.136 3.000 3.323 . 0 0 "[ . 1]" 2
51 2 12 LEU O 2 16 LYS H 2.000 . 2.500 2.206 2.071 2.400 . 0 0 "[ . 1]" 2
52 2 12 LEU O 2 16 LYS N 3.000 2.500 3.500 3.086 2.958 3.254 . 0 0 "[ . 1]" 2
53 2 11 GLU O 2 15 LEU H 2.000 . 2.500 1.951 1.846 2.025 . 0 0 "[ . 1]" 2
54 2 11 GLU O 2 15 LEU N 3.000 2.500 3.500 2.867 2.787 2.932 . 0 0 "[ . 1]" 2
55 2 10 ALA O 2 14 ARG H 2.000 . 2.500 2.107 1.846 2.483 . 0 0 "[ . 1]" 2
56 2 10 ALA O 2 14 ARG N 3.000 2.500 3.500 3.036 2.777 3.396 . 0 0 "[ . 1]" 2
57 2 9 ASP O 2 13 GLN H 2.000 . 2.500 2.039 1.954 2.262 . 0 0 "[ . 1]" 2
58 2 9 ASP O 2 13 GLN N 3.000 2.500 3.500 2.959 2.876 3.192 . 0 0 "[ . 1]" 2
59 2 8 ALA O 2 12 LEU H 2.000 . 2.500 1.905 1.784 2.149 . 0 0 "[ . 1]" 2
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