NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
640291 |
6oqj   |
30605 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6oqj
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 1315
_Distance_constraint_stats_list.Viol_count 2097
_Distance_constraint_stats_list.Viol_total 9768.159
_Distance_constraint_stats_list.Viol_max 5.849
_Distance_constraint_stats_list.Viol_rms 0.3215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0743
_Distance_constraint_stats_list.Viol_average_violations_only 0.4658
_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 0.814 0.367 7 0 "[ . 1]"
1 4 PHE 2.227 0.367 7 0 "[ . 1]"
1 5 SER 11.174 1.076 3 10 [**+*-*****]
1 6 GLU 9.136 1.076 3 10 [**+*-*****]
1 7 GLU 8.478 0.883 8 10 [****-**+**]
1 8 CYS 18.817 0.986 5 10 [*-**+*****]
1 9 MET 2.655 0.546 3 1 "[ + . 1]"
1 10 HIS 10.220 2.142 2 9 "[*+ *****-*]"
1 11 GLY 0.152 0.079 5 0 "[ . 1]"
1 12 SER 2.333 0.500 9 1 "[ . +1]"
1 13 GLY 6.679 0.546 3 1 "[ + . 1]"
1 14 GLU 5.550 1.433 1 2 "[+ . -1]"
1 15 ASN 13.256 2.142 2 9 "[*+ *****-*]"
1 16 TYR 15.215 1.954 2 10 [*+********]
1 17 ASP 0.210 0.109 2 0 "[ . 1]"
1 18 GLY 0.210 0.109 2 0 "[ . 1]"
1 19 LYS 8.374 0.897 3 10 [**+*-*****]
1 20 ILE 28.023 0.897 3 10 [**+*-*****]
1 21 SER 2.120 0.885 5 1 "[ + 1]"
1 22 LYS 7.028 1.239 9 2 "[ * +1]"
1 23 THR 12.691 0.573 9 4 "[ - **+1]"
1 24 MET 3.088 0.738 9 1 "[ . +1]"
1 25 SER 5.455 0.543 9 1 "[ . +1]"
1 26 GLY 2.474 0.446 4 0 "[ . 1]"
1 27 LEU 14.389 0.573 9 4 "[ - **+1]"
1 28 GLU 21.047 1.534 2 10 [*+******-*]
1 29 CYS 18.913 1.023 9 9 "[- ******+*]"
1 30 GLN 25.726 1.755 1 10 [+***-*****]
1 31 ALA 5.231 0.571 7 1 "[ . + 1]"
1 32 TRP 29.570 1.141 6 10 [-****+****]
1 33 ASP 0.111 0.111 9 0 "[ . 1]"
1 34 SER 31.307 2.485 7 10 [*****-+***]
1 35 GLN 57.632 5.849 9 10 [-*******+*]
1 36 SER 46.964 1.886 9 10 [**-*****+*]
1 37 PRO 110.254 4.039 8 10 [****-**+**]
1 38 HIS 53.929 1.886 9 10 [***-****+*]
1 39 ALA 0.000 0.000 . 0 "[ . 1]"
1 40 HIS 92.719 5.849 9 10 [********+*]
1 41 GLY 29.519 1.856 3 10 [**+****-**]
1 42 TYR 42.321 3.354 6 10 [*-***+****]
1 43 ILE 32.951 2.012 3 9 "[ *+*****-*]"
1 44 PRO 3.114 0.500 7 1 "[ . + 1]"
1 45 SER 2.555 0.387 5 0 "[ . 1]"
1 46 LYS 4.308 0.387 5 0 "[ . 1]"
1 47 PHE 25.336 2.071 6 10 [*****+**-*]
1 48 PRO 0.751 0.367 5 0 "[ . 1]"
1 49 ASN 1.939 0.367 5 0 "[ . 1]"
1 50 LYS 2.408 0.567 3 1 "[ + . 1]"
1 51 ASN 0.000 0.000 . 0 "[ . 1]"
1 52 LEU 5.158 0.500 7 1 "[ . + 1]"
1 53 LYS 14.599 0.974 7 9 "[- ****+***]"
1 54 LYS 6.231 0.614 10 2 "[ . - +]"
1 55 ASN 4.965 0.571 7 1 "[ . + 1]"
1 56 TYR 10.456 0.891 2 2 "[-+ . 1]"
1 57 CYS 27.317 1.954 2 10 [*+**-*****]
1 58 ARG 9.692 0.891 2 2 "[ + .- 1]"
1 59 ASN 6.142 0.720 4 2 "[ - +. 1]"
1 60 PRO 9.392 0.935 4 4 "[* +. **]"
1 61 ASP 25.094 3.354 6 10 [*-***+****]
1 62 ARG 1.494 1.433 1 1 "[+ . 1]"
1 63 ASP 94.305 4.501 10 10 [***-*****+]
1 64 LEU 13.054 1.657 9 10 [*-******+*]
1 65 ARG 6.529 0.899 6 4 "[ * .+ -*]"
1 66 PRO 11.188 0.942 10 4 "[ *-. * +]"
1 67 TRP 64.473 2.429 10 10 [*******-*+]
1 68 CYS 4.127 0.717 1 2 "[+ - 1]"
1 69 PHE 32.605 1.903 2 10 [-+********]
1 70 THR 22.179 1.715 2 10 [*+*-******]
1 71 THR 81.029 4.039 8 10 [*******+-*]
1 72 ASP 0.798 0.271 2 0 "[ . 1]"
1 73 PRO 14.614 2.450 9 9 "[ *****-*+*]"
1 74 ASN 5.007 0.482 5 0 "[ . 1]"
1 75 LYS 18.969 1.715 2 10 [*+*-******]
1 76 ARG 6.346 1.302 10 4 "[* . * -+]"
1 77 TRP 34.984 3.016 10 8 "[** *.***-+]"
1 78 GLU 1.458 0.482 9 0 "[ . 1]"
1 79 TYR 21.926 1.657 9 10 [********+*]
1 80 CYS 11.833 0.985 3 8 "[ *+-**** *]"
1 81 ASP 1.866 0.738 9 1 "[ . +1]"
1 82 ILE 13.360 0.867 6 9 "[*** *+****]"
1 83 PRO 2.865 0.412 5 0 "[ . 1]"
1 84 ARG 7.654 0.986 5 7 "[ -* +*** *]"
1 85 CYS 2.628 0.406 3 0 "[ . 1]"
1 86 ALA 0.000 0.000 . 0 "[ . 1]"
1 87 ALA 0.040 0.040 5 0 "[ . 1]"
2 3 VAL 0.000 0.000 . 0 "[ . 1]"
2 4 GLU 0.681 0.312 9 0 "[ . 1]"
2 6 LEU 1.719 0.360 9 0 "[ . 1]"
2 7 THR 1.229 0.390 4 0 "[ . 1]"
2 8 ALA 4.176 0.390 4 0 "[ . 1]"
2 9 ASP 4.460 0.448 10 0 "[ . 1]"
2 10 ALA 2.753 0.277 8 0 "[ . 1]"
2 11 GLU 3.915 0.322 5 0 "[ . 1]"
2 12 LEU 4.177 0.488 5 0 "[ . 1]"
2 13 GLN 17.004 1.802 3 10 [**+******-]
2 14 ARG 2.952 0.361 8 0 "[ . 1]"
2 15 LEU 1.984 0.182 6 0 "[ . 1]"
2 16 LYS 4.108 0.428 10 0 "[ . 1]"
2 17 ASN 3.409 0.350 4 0 "[ . 1]"
2 18 GLU 0.063 0.063 10 0 "[ . 1]"
2 19 ALA 2.524 0.267 10 0 "[ . 1]"
2 20 ALA 2.528 0.265 9 0 "[ . 1]"
2 21 GLU 3.253 0.480 5 0 "[ . 1]"
2 22 GLU 25.939 2.044 10 10 [**-******+]
2 23 ALA 14.358 1.128 1 8 "[+*-*.** **]"
2 24 GLU 4.580 0.339 8 0 "[ . 1]"
2 25 LEU 18.872 2.044 10 10 [***-*****+]
2 26 GLU 8.585 1.128 1 8 "[+***.-* **]"
2 27 ARG 2.396 0.299 9 0 "[ . 1]"
2 28 LEU 49.680 2.071 6 10 [*****+**-*]
2 29 LYS 94.700 4.501 10 10 [**-******+]
2 30 SER 0.085 0.065 9 0 "[ . 1]"
2 31 GLU 0.000 0.000 . 0 "[ . 1]"
2 32 ARG 45.585 3.016 10 10 [*******-*+]
2 33 HIS 8.936 1.789 1 3 "[+ . *-]"
2 34 ASP 2.227 0.294 6 0 "[ . 1]"
2 35 HIS 3.180 0.376 2 0 "[ . 1]"
2 36 ASP 3.642 0.431 9 0 "[ . 1]"
2 37 LYS 1.072 0.287 2 0 "[ . 1]"
2 38 LYS 2.225 0.249 6 0 "[ . 1]"
2 39 GLU 3.422 0.496 9 0 "[ . 1]"
2 40 ALA 3.273 0.300 8 0 "[ . 1]"
2 41 GLU 3.317 0.434 5 0 "[ . 1]"
2 42 ARG 3.595 0.419 4 0 "[ . 1]"
2 43 LYS 3.742 0.303 4 0 "[ . 1]"
2 44 ALA 3.337 0.271 8 0 "[ . 1]"
2 45 LEU 2.670 0.275 8 0 "[ . 1]"
2 46 GLU 3.144 0.404 1 0 "[ . 1]"
2 47 ASP 2.430 0.277 4 0 "[ . 1]"
2 48 LYS 2.456 0.265 6 0 "[ . 1]"
2 49 LEU 2.419 0.338 7 0 "[ . 1]"
2 50 ALA 0.000 0.000 . 0 "[ . 1]"
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 2.048 1.941 2.259 . 0 0 "[ . 1]" 1
2 1 2 VAL H 1 2 VAL HB 3.750 . 5.700 3.741 3.671 3.815 . 0 0 "[ . 1]" 1
3 1 2 VAL HA 1 2 VAL HB 2.650 . 3.500 2.504 2.466 2.556 . 0 0 "[ . 1]" 1
4 1 2 VAL HA 1 2 VAL MG1 3.150 . 4.500 2.315 2.267 2.361 . 0 0 "[ . 1]" 1
5 1 3 GLU H 1 3 GLU QG 3.150 . 4.500 4.069 4.026 4.107 . 0 0 "[ . 1]" 1
6 1 3 GLU H 1 3 GLU HB3 2.650 . 3.500 2.759 2.501 2.976 . 0 0 "[ . 1]" 1
7 1 3 GLU HA 1 3 GLU HB3 2.650 . 3.500 2.991 2.945 3.026 . 0 0 "[ . 1]" 1
8 1 3 GLU HA 1 3 GLU HB2 2.650 . 3.500 2.605 2.478 2.722 . 0 0 "[ . 1]" 1
9 1 3 GLU HA 1 3 GLU QG 3.150 . 4.500 2.720 2.514 2.980 . 0 0 "[ . 1]" 1
10 1 3 GLU HB3 1 3 GLU QG 2.650 . 3.500 2.161 2.152 2.166 . 0 0 "[ . 1]" 1
11 1 4 PHE H 1 4 PHE HB3 2.650 . 3.500 3.628 3.574 3.720 0.220 3 0 "[ . 1]" 1
12 1 3 GLU HA 1 4 PHE H 2.650 . 3.500 3.441 3.114 3.562 0.062 10 0 "[ . 1]" 1
13 1 4 PHE H 1 4 PHE HB2 2.650 . 3.500 2.447 2.330 2.554 . 0 0 "[ . 1]" 1
14 1 4 PHE H 1 4 PHE HA 2.650 . 3.500 2.900 2.836 2.941 . 0 0 "[ . 1]" 1
15 1 3 GLU QG 1 4 PHE H 3.150 . 4.500 4.179 3.384 4.744 0.244 7 0 "[ . 1]" 1
16 1 3 GLU HB3 1 4 PHE H 2.650 . 3.500 2.964 2.278 3.867 0.367 7 0 "[ . 1]" 1
17 1 4 PHE HA 1 4 PHE HB3 2.650 . 3.500 2.519 2.449 2.627 . 0 0 "[ . 1]" 1
18 1 4 PHE HA 1 4 PHE HB2 2.650 . 3.500 3.018 2.994 3.029 . 0 0 "[ . 1]" 1
19 1 5 SER H 1 5 SER HA 2.650 . 3.500 2.927 2.874 2.946 . 0 0 "[ . 1]" 1
20 1 5 SER H 1 5 SER HB3 2.650 . 3.500 3.672 3.369 3.944 0.444 5 0 "[ . 1]" 1
21 1 4 PHE HA 1 5 SER H 2.650 . 3.500 2.223 2.137 2.416 . 0 0 "[ . 1]" 1
22 1 5 SER H 1 6 GLU HB2 3.750 . 5.700 5.232 4.813 5.526 . 0 0 "[ . 1]" 1
23 1 4 PHE HB2 1 5 SER H 3.150 . 4.500 4.465 4.373 4.572 0.072 8 0 "[ . 1]" 1
24 1 4 PHE HB3 1 5 SER H 3.150 . 4.500 3.905 3.617 4.265 . 0 0 "[ . 1]" 1
25 1 5 SER H 1 6 GLU H 2.650 . 3.500 4.414 4.070 4.576 1.076 3 10 [**+*-*****] 1
26 1 5 SER HA 1 5 SER HB3 2.650 . 3.500 2.322 2.237 2.429 . 0 0 "[ . 1]" 1
27 1 5 SER HA 1 5 SER HB2 2.650 . 3.500 2.958 2.811 3.030 . 0 0 "[ . 1]" 1
28 1 6 GLU H 1 7 GLU HG2 3.750 . 5.700 4.346 3.312 5.649 . 0 0 "[ . 1]" 1
29 1 6 GLU H 1 6 GLU HB2 2.650 . 3.500 3.033 2.623 3.355 . 0 0 "[ . 1]" 1
30 1 5 SER HB3 1 6 GLU H 3.150 . 4.500 3.306 2.725 3.871 . 0 0 "[ . 1]" 1
31 1 5 SER HA 1 6 GLU H 2.650 . 3.500 2.215 2.141 2.334 . 0 0 "[ . 1]" 1
32 1 6 GLU HA 1 6 GLU HB3 2.650 . 3.500 3.018 3.005 3.029 . 0 0 "[ . 1]" 1
33 1 6 GLU HA 1 6 GLU QG 3.150 . 4.500 2.899 2.713 3.026 . 0 0 "[ . 1]" 1
34 1 6 GLU HA 1 6 GLU HB2 2.650 . 3.500 2.528 2.458 2.603 . 0 0 "[ . 1]" 1
35 1 7 GLU H 1 8 CYS H 2.650 . 3.500 4.348 4.309 4.383 0.883 8 10 [****-**+**] 1
36 1 6 GLU HA 1 7 GLU H 2.300 . 2.800 2.157 2.115 2.201 . 0 0 "[ . 1]" 1
37 1 7 GLU H 1 7 GLU HA 2.650 . 3.500 2.867 2.837 2.904 . 0 0 "[ . 1]" 1
38 1 7 GLU H 1 7 GLU HB2 2.900 . 4.000 3.942 3.899 3.976 . 0 0 "[ . 1]" 1
39 1 7 GLU HA 1 7 GLU HB2 2.650 . 3.500 2.516 2.445 2.564 . 0 0 "[ . 1]" 1
40 1 7 GLU HA 1 7 GLU HB3 2.650 . 3.500 2.387 2.341 2.448 . 0 0 "[ . 1]" 1
41 1 7 GLU HB2 1 7 GLU HG2 2.650 . 3.500 2.960 2.595 3.008 . 0 0 "[ . 1]" 1
42 1 7 GLU HA 1 7 GLU HG2 3.150 . 4.500 3.645 3.582 3.712 . 0 0 "[ . 1]" 1
43 1 7 GLU HA 1 7 GLU HG3 3.150 . 4.500 3.902 3.783 4.235 . 0 0 "[ . 1]" 1
44 1 7 GLU HB2 1 8 CYS H 3.150 . 4.500 2.403 2.131 2.596 . 0 0 "[ . 1]" 1
45 1 7 GLU HA 1 8 CYS H 2.650 . 3.500 2.411 2.315 2.521 . 0 0 "[ . 1]" 1
46 1 8 CYS H 1 8 CYS QB 2.900 . 4.000 2.747 2.651 2.802 . 0 0 "[ . 1]" 1
47 1 8 CYS H 1 8 CYS HA 2.650 . 3.500 2.919 2.905 2.933 . 0 0 "[ . 1]" 1
48 1 8 CYS H 1 9 MET H 3.150 . 4.500 4.323 4.274 4.414 . 0 0 "[ . 1]" 1
49 1 8 CYS H 1 82 ILE MG 3.750 . 5.700 5.921 5.724 6.334 0.634 3 1 "[ + . 1]" 1
50 1 7 GLU HB3 1 8 CYS H 3.150 . 4.500 3.664 3.467 3.784 . 0 0 "[ . 1]" 1
51 1 8 CYS HA 1 8 CYS QB 2.650 . 3.500 2.377 2.340 2.408 . 0 0 "[ . 1]" 1
52 1 8 CYS HA 1 83 PRO HB3 3.150 . 4.500 4.549 3.949 4.912 0.412 5 0 "[ . 1]" 1
53 1 8 CYS HA 1 82 ILE MG 3.750 . 5.700 4.579 4.412 4.936 . 0 0 "[ . 1]" 1
54 1 8 CYS QB 1 85 CYS HA 2.650 . 3.500 2.510 2.265 2.967 . 0 0 "[ . 1]" 1
55 1 8 CYS QB 1 9 MET H 2.650 . 3.500 2.876 2.590 3.095 . 0 0 "[ . 1]" 1
56 1 9 MET H 1 85 CYS H 2.650 . 3.500 3.433 3.056 3.904 0.404 2 0 "[ . 1]" 1
57 1 9 MET H 1 82 ILE MG 3.750 . 5.700 3.959 3.636 4.569 . 0 0 "[ . 1]" 1
58 1 8 CYS HA 1 9 MET H 2.650 . 3.500 2.248 2.158 2.335 . 0 0 "[ . 1]" 1
59 1 9 MET H 1 83 PRO HB2 3.150 . 4.500 4.114 3.866 4.321 . 0 0 "[ . 1]" 1
60 1 9 MET H 1 9 MET HB2 2.650 . 3.500 2.579 2.494 2.697 . 0 0 "[ . 1]" 1
61 1 9 MET HA 1 9 MET HB2 2.650 . 3.500 3.022 3.016 3.027 . 0 0 "[ . 1]" 1
62 1 9 MET HB3 1 9 MET HG3 2.650 . 3.500 2.453 2.400 2.585 . 0 0 "[ . 1]" 1
63 1 9 MET HA 1 10 HIS H 2.650 . 3.500 2.401 2.304 2.458 . 0 0 "[ . 1]" 1
64 1 10 HIS H 1 10 HIS HB2 2.650 . 3.500 2.614 2.243 2.783 . 0 0 "[ . 1]" 1
65 1 10 HIS H 1 10 HIS HB3 2.650 . 3.500 2.516 2.374 2.844 . 0 0 "[ . 1]" 1
66 1 10 HIS H 1 10 HIS HA 2.650 . 3.500 2.873 2.826 2.904 . 0 0 "[ . 1]" 1
67 1 9 MET HB3 1 10 HIS H 2.650 . 3.500 2.419 2.314 2.637 . 0 0 "[ . 1]" 1
68 1 9 MET HB2 1 10 HIS H 3.150 . 4.500 3.588 3.355 3.871 . 0 0 "[ . 1]" 1
69 1 9 MET H 1 10 HIS H 3.150 . 4.500 4.499 4.478 4.512 0.012 6 0 "[ . 1]" 1
70 1 10 HIS HA 1 10 HIS HB3 2.650 . 3.500 3.021 2.994 3.031 . 0 0 "[ . 1]" 1
71 1 10 HIS HA 1 10 HIS HB2 2.650 . 3.500 2.476 2.399 2.639 . 0 0 "[ . 1]" 1
72 1 10 HIS HA 1 11 GLY H 3.150 . 4.500 2.202 2.163 2.308 . 0 0 "[ . 1]" 1
73 1 12 SER H 1 12 SER QB 2.650 . 3.500 2.511 2.184 2.876 . 0 0 "[ . 1]" 1
74 1 12 SER H 1 14 GLU H 3.750 . 5.700 4.723 4.525 4.894 . 0 0 "[ . 1]" 1
75 1 11 GLY HA2 1 12 SER H 2.650 . 3.500 3.371 3.269 3.579 0.079 5 0 "[ . 1]" 1
76 1 11 GLY HA3 1 12 SER H 2.650 . 3.500 2.212 2.112 2.575 . 0 0 "[ . 1]" 1
77 1 12 SER H 1 12 SER HA 2.650 . 3.500 2.831 2.812 2.857 . 0 0 "[ . 1]" 1
78 1 12 SER HA 1 12 SER QB 2.650 . 3.500 2.292 2.156 2.400 . 0 0 "[ . 1]" 1
79 1 13 GLY H 1 14 GLU HA 3.750 . 5.700 5.078 4.861 5.214 . 0 0 "[ . 1]" 1
80 1 9 MET HB2 1 13 GLY H 3.750 . 5.700 5.791 5.311 6.246 0.546 3 1 "[ + . 1]" 1
81 1 10 HIS HD2 1 13 GLY H 3.750 . 5.700 3.735 2.299 4.440 . 0 0 "[ . 1]" 1
82 1 12 SER HA 1 13 GLY H 3.150 . 4.500 3.498 3.362 3.556 . 0 0 "[ . 1]" 1
83 1 13 GLY H 1 15 ASN H 3.150 . 4.500 4.667 4.187 4.905 0.405 8 0 "[ . 1]" 1
84 1 13 GLY H 1 16 TYR H 3.750 . 5.700 5.855 5.701 6.084 0.384 8 0 "[ . 1]" 1
85 1 13 GLY H 1 13 GLY HA3 2.650 . 3.500 2.830 2.760 2.901 . 0 0 "[ . 1]" 1
86 1 14 GLU H 1 14 GLU QB 2.650 . 3.500 2.245 2.132 2.521 . 0 0 "[ . 1]" 1
87 1 14 GLU H 1 16 TYR H 3.750 . 5.700 4.192 4.113 4.292 . 0 0 "[ . 1]" 1
88 1 14 GLU H 1 15 ASN H 3.150 . 4.500 2.516 2.336 2.677 . 0 0 "[ . 1]" 1
89 1 14 GLU H 1 14 GLU QG 3.150 . 4.500 3.776 2.352 4.029 . 0 0 "[ . 1]" 1
90 1 14 GLU HA 1 14 GLU QB 2.650 . 3.500 2.362 2.180 2.478 . 0 0 "[ . 1]" 1
91 1 14 GLU HA 1 14 GLU QG 3.150 . 4.500 2.509 2.150 3.348 . 0 0 "[ . 1]" 1
92 1 14 GLU H 1 15 ASN HA 3.750 . 5.700 5.182 5.035 5.304 . 0 0 "[ . 1]" 1
93 1 14 GLU H 1 59 ASN QB 3.150 . 4.500 4.606 4.335 4.995 0.495 9 0 "[ . 1]" 1
94 1 12 SER HA 1 14 GLU H 3.400 . 5.000 5.176 4.711 5.500 0.500 9 1 "[ . +1]" 1
95 1 13 GLY H 1 14 GLU H 2.650 . 3.500 2.745 2.483 2.995 . 0 0 "[ . 1]" 1
96 1 13 GLY HA3 1 14 GLU H 2.650 . 3.500 3.553 3.512 3.587 0.087 1 0 "[ . 1]" 1
97 1 15 ASN H 1 15 ASN HA 2.650 . 3.500 2.925 2.907 2.946 . 0 0 "[ . 1]" 1
98 1 15 ASN H 1 15 ASN HB3 2.650 . 3.500 3.322 2.819 3.612 0.112 9 0 "[ . 1]" 1
99 1 15 ASN H 1 16 TYR H 3.150 . 4.500 2.737 2.514 2.863 . 0 0 "[ . 1]" 1
100 1 13 GLY HA3 1 15 ASN H 3.150 . 4.500 4.422 4.087 4.784 0.284 3 0 "[ . 1]" 1
101 1 14 GLU HA 1 15 ASN H 3.150 . 4.500 3.465 3.381 3.526 . 0 0 "[ . 1]" 1
102 1 14 GLU QG 1 15 ASN H 3.750 . 5.700 3.877 2.580 4.543 . 0 0 "[ . 1]" 1
103 1 14 GLU QB 1 15 ASN H 3.150 . 4.500 2.858 2.641 3.659 . 0 0 "[ . 1]" 1
104 1 15 ASN H 1 15 ASN HB2 2.650 . 3.500 2.362 2.234 2.622 . 0 0 "[ . 1]" 1
105 1 10 HIS HD2 1 15 ASN H 3.150 . 4.500 5.518 4.525 6.642 2.142 2 9 "[*+ *****-*]" 1
106 1 15 ASN HA 1 15 ASN HB3 2.650 . 3.500 2.759 2.546 2.995 . 0 0 "[ . 1]" 1
107 1 15 ASN HA 1 15 ASN HB2 2.650 . 3.500 2.881 2.626 3.017 . 0 0 "[ . 1]" 1
108 1 15 ASN HA 1 16 TYR H 2.650 . 3.500 2.954 2.929 3.008 . 0 0 "[ . 1]" 1
109 1 15 ASN HB2 1 16 TYR H 3.150 . 4.500 4.212 4.059 4.459 . 0 0 "[ . 1]" 1
110 1 16 TYR HA 1 16 TYR QB 2.650 . 3.500 2.365 2.316 2.412 . 0 0 "[ . 1]" 1
111 1 16 TYR H 1 17 ASP H 3.150 . 4.500 4.393 4.343 4.457 . 0 0 "[ . 1]" 1
112 1 16 TYR H 1 16 TYR HA 2.650 . 3.500 2.845 2.825 2.869 . 0 0 "[ . 1]" 1
113 1 16 TYR H 1 16 TYR QB 2.650 . 3.500 2.254 2.225 2.289 . 0 0 "[ . 1]" 1
114 1 13 GLY HA3 1 16 TYR H 3.150 . 4.500 4.174 3.726 4.611 0.111 5 0 "[ . 1]" 1
115 1 16 TYR HA 1 16 TYR QD 2.650 . 3.500 2.557 2.445 2.733 . 0 0 "[ . 1]" 1
116 1 16 TYR QB 1 17 ASP H 3.150 . 4.500 3.890 3.841 3.929 . 0 0 "[ . 1]" 1
117 1 16 TYR HA 1 17 ASP H 2.650 . 3.500 2.138 2.117 2.156 . 0 0 "[ . 1]" 1
118 1 17 ASP H 1 17 ASP HA 2.650 . 3.500 2.947 2.943 2.954 . 0 0 "[ . 1]" 1
119 1 17 ASP H 1 18 GLY HA3 3.150 . 4.500 4.428 4.265 4.609 0.109 2 0 "[ . 1]" 1
120 1 17 ASP H 1 18 GLY HA2 3.150 . 4.500 4.403 4.276 4.496 . 0 0 "[ . 1]" 1
121 1 17 ASP H 1 17 ASP QB 2.650 . 3.500 2.455 2.345 2.546 . 0 0 "[ . 1]" 1
122 1 17 ASP HA 1 17 ASP QB 2.650 . 3.500 2.488 2.450 2.541 . 0 0 "[ . 1]" 1
123 1 18 GLY HA3 1 19 LYS H 2.650 . 3.500 2.875 2.718 3.008 . 0 0 "[ . 1]" 1
124 1 18 GLY HA2 1 19 LYS H 2.650 . 3.500 2.286 2.220 2.369 . 0 0 "[ . 1]" 1
125 1 19 LYS H 1 19 LYS QG 3.150 . 3.500 2.600 1.776 3.256 0.024 1 0 "[ . 1]" 1
126 1 19 LYS H 1 19 LYS HA 2.650 . 3.500 2.905 2.874 2.943 . 0 0 "[ . 1]" 1
127 1 19 LYS H 1 20 ILE H 3.150 . 3.500 4.270 4.123 4.397 0.897 3 10 [**+*-*****] 1
128 1 19 LYS H 1 19 LYS QB 2.650 . 3.500 2.429 2.121 2.894 . 0 0 "[ . 1]" 1
129 1 19 LYS HA 1 19 LYS QG 3.150 . 4.500 2.503 2.227 3.318 . 0 0 "[ . 1]" 1
130 1 19 LYS HA 1 19 LYS QB 2.650 . 3.500 2.375 2.166 2.521 . 0 0 "[ . 1]" 1
131 1 19 LYS HA 1 56 TYR QD 3.150 . 4.500 3.318 2.631 4.166 . 0 0 "[ . 1]" 1
132 1 19 LYS QB 1 19 LYS QD 2.650 . 3.500 2.177 2.112 2.280 . 0 0 "[ . 1]" 1
133 1 19 LYS QG 1 56 TYR QE 3.150 . 4.500 3.798 3.023 5.151 0.651 1 1 "[+ . 1]" 1
134 1 19 LYS QD 1 19 LYS QE 2.300 . 2.800 2.081 2.007 2.094 . 0 0 "[ . 1]" 1
135 1 20 ILE H 1 20 ILE HG12 3.150 . 4.500 4.578 4.502 4.654 0.154 4 0 "[ . 1]" 1
136 1 20 ILE H 1 20 ILE MG 2.650 . 3.500 2.543 2.442 2.624 . 0 0 "[ . 1]" 1
137 1 20 ILE H 1 20 ILE HG13 3.150 . 4.500 4.735 4.712 4.769 0.269 1 0 "[ . 1]" 1
138 1 20 ILE H 1 20 ILE HA 2.650 . 3.500 2.863 2.844 2.881 . 0 0 "[ . 1]" 1
139 1 20 ILE H 1 20 ILE MD 3.150 . 4.500 4.959 4.931 4.989 0.489 3 0 "[ . 1]" 1
140 1 16 TYR QE 1 20 ILE H 3.150 . 4.500 4.699 4.422 5.065 0.565 2 1 "[ + . 1]" 1
141 1 20 ILE H 1 21 SER H 3.400 . 5.000 4.111 4.063 4.167 . 0 0 "[ . 1]" 1
142 1 19 LYS HA 1 20 ILE H 2.650 . 3.500 2.132 2.101 2.158 . 0 0 "[ . 1]" 1
143 1 20 ILE H 1 20 ILE HB 2.300 . 2.800 3.479 3.431 3.516 0.716 10 10 [****-****+] 1
144 1 20 ILE HA 1 20 ILE HG13 2.650 . 3.500 2.430 2.364 2.490 . 0 0 "[ . 1]" 1
145 1 20 ILE HA 1 20 ILE HG12 2.650 . 3.500 3.232 3.146 3.310 . 0 0 "[ . 1]" 1
146 1 20 ILE HA 1 20 ILE MD 3.750 . 5.700 3.726 3.688 3.769 . 0 0 "[ . 1]" 1
147 1 20 ILE HB 1 20 ILE MD 3.150 . 4.500 2.357 2.327 2.388 . 0 0 "[ . 1]" 1
148 1 20 ILE HA 1 20 ILE HB 2.650 . 3.500 2.438 2.409 2.484 . 0 0 "[ . 1]" 1
149 1 20 ILE HB 1 20 ILE HG13 2.650 . 3.500 2.530 2.506 2.553 . 0 0 "[ . 1]" 1
150 1 20 ILE HB 1 82 ILE MD 3.750 . 5.700 5.514 4.820 5.807 0.107 5 0 "[ . 1]" 1
151 1 20 ILE MG 1 21 SER QB 3.750 . 5.700 5.095 4.902 5.312 . 0 0 "[ . 1]" 1
152 1 20 ILE HA 1 21 SER H 2.300 . 2.800 2.165 2.142 2.193 . 0 0 "[ . 1]" 1
153 1 21 SER H 1 21 SER HA 2.650 . 3.500 2.942 2.934 2.951 . 0 0 "[ . 1]" 1
154 1 20 ILE HB 1 21 SER H 3.150 . 4.500 4.161 4.129 4.224 . 0 0 "[ . 1]" 1
155 1 20 ILE HG12 1 21 SER H 2.650 . 3.500 3.110 2.837 3.253 . 0 0 "[ . 1]" 1
156 1 20 ILE MG 1 21 SER H 3.150 . 4.500 3.972 3.789 4.058 . 0 0 "[ . 1]" 1
157 1 20 ILE HG13 1 21 SER H 2.900 . 4.000 2.744 2.677 2.878 . 0 0 "[ . 1]" 1
158 1 21 SER H 1 57 CYS H 3.750 . 5.700 5.166 4.991 5.819 0.119 5 0 "[ . 1]" 1
159 1 21 SER H 1 22 LYS HA 3.750 . 5.700 4.721 4.583 4.859 . 0 0 "[ . 1]" 1
160 1 21 SER H 1 22 LYS QG 3.400 . 5.000 3.599 2.812 4.241 . 0 0 "[ . 1]" 1
161 1 21 SER H 1 22 LYS H 2.650 . 3.500 2.462 2.249 2.752 . 0 0 "[ . 1]" 1
162 1 21 SER H 1 56 TYR QD 3.750 . 5.700 4.546 3.951 5.354 . 0 0 "[ . 1]" 1
163 1 21 SER H 1 21 SER QB 2.650 . 3.500 3.113 2.999 3.197 . 0 0 "[ . 1]" 1
164 1 21 SER HA 1 56 TYR HA 2.650 . 3.500 3.148 2.843 3.770 0.270 5 0 "[ . 1]" 1
165 1 21 SER HA 1 21 SER QB 2.650 . 3.500 2.168 2.161 2.178 . 0 0 "[ . 1]" 1
166 1 21 SER QB 1 56 TYR HA 3.150 . 4.500 3.486 3.125 4.625 0.125 5 0 "[ . 1]" 1
167 1 21 SER QB 1 56 TYR QD 3.150 . 4.500 3.522 2.677 4.905 0.405 5 0 "[ . 1]" 1
168 1 20 ILE HB 1 22 LYS H 3.400 . 5.000 4.643 4.559 4.751 . 0 0 "[ . 1]" 1
169 1 21 SER QB 1 22 LYS H 3.150 . 4.500 3.930 3.676 4.014 . 0 0 "[ . 1]" 1
170 1 22 LYS H 1 22 LYS HA 2.650 . 3.500 2.932 2.917 2.946 . 0 0 "[ . 1]" 1
171 1 22 LYS H 1 22 LYS QB 2.650 . 3.500 2.600 2.415 2.706 . 0 0 "[ . 1]" 1
172 1 22 LYS H 1 22 LYS QE 3.750 . 5.700 4.074 3.913 4.456 . 0 0 "[ . 1]" 1
173 1 20 ILE HG12 1 22 LYS H 2.650 . 3.500 1.961 1.822 2.084 . 0 0 "[ . 1]" 1
174 1 22 LYS H 1 57 CYS QB 3.750 . 5.700 4.298 3.774 5.220 . 0 0 "[ . 1]" 1
175 1 22 LYS H 1 23 THR H 3.150 . 4.500 4.390 4.326 4.486 . 0 0 "[ . 1]" 1
176 1 22 LYS H 1 22 LYS QG 2.650 . 3.500 3.303 2.892 3.721 0.221 3 0 "[ . 1]" 1
177 1 21 SER HA 1 22 LYS H 2.650 . 3.500 2.948 2.776 3.243 . 0 0 "[ . 1]" 1
178 1 22 LYS H 1 29 CYS QB 3.750 . 5.700 4.002 3.725 4.345 . 0 0 "[ . 1]" 1
179 1 20 ILE HA 1 22 LYS H 3.150 . 4.500 3.832 3.588 4.010 . 0 0 "[ . 1]" 1
180 1 20 ILE MD 1 22 LYS H 3.750 . 5.700 3.358 3.310 3.440 . 0 0 "[ . 1]" 1
181 1 22 LYS HA 1 22 LYS QB 2.650 . 3.500 2.436 2.341 2.508 . 0 0 "[ . 1]" 1
182 1 22 LYS HA 1 28 GLU HA 2.650 . 3.500 3.138 2.781 3.809 0.309 9 0 "[ . 1]" 1
183 1 22 LYS QB 1 22 LYS QE 3.150 . 4.500 2.067 1.963 2.144 . 0 0 "[ . 1]" 1
184 1 22 LYS QB 1 23 THR H 3.150 . 4.500 2.792 2.647 3.059 . 0 0 "[ . 1]" 1
185 1 22 LYS HA 1 23 THR H 2.300 . 2.800 2.251 2.179 2.301 . 0 0 "[ . 1]" 1
186 1 23 THR H 1 27 LEU HA 3.150 . 4.500 4.733 4.553 4.843 0.343 9 0 "[ . 1]" 1
187 1 23 THR H 1 25 SER H 3.150 . 4.500 4.423 4.334 4.606 0.106 10 0 "[ . 1]" 1
188 1 23 THR H 1 23 THR HA 2.650 . 3.500 2.904 2.874 2.923 . 0 0 "[ . 1]" 1
189 1 23 THR H 1 23 THR HG1 2.650 . 3.500 2.978 2.272 3.634 0.134 1 0 "[ . 1]" 1
190 1 23 THR H 1 26 GLY HA2 3.150 . 4.500 4.012 3.394 4.358 . 0 0 "[ . 1]" 1
191 1 23 THR H 1 26 GLY H 3.150 . 3.500 3.737 3.437 3.946 0.446 4 0 "[ . 1]" 1
192 1 23 THR H 1 27 LEU HB3 3.150 . 4.500 4.970 4.806 5.073 0.573 9 4 "[ - **+1]" 1
193 1 23 THR HA 1 23 THR MG 3.150 . 4.500 2.314 2.259 2.454 . 0 0 "[ . 1]" 1
194 1 23 THR HB 1 78 GLU HB3 3.150 . 4.500 2.672 2.350 3.042 . 0 0 "[ . 1]" 1
195 1 23 THR HB 1 78 GLU HB2 2.650 . 3.500 3.170 2.586 3.678 0.178 4 0 "[ . 1]" 1
196 1 23 THR MG 1 78 GLU HB2 2.650 . 3.500 2.115 1.964 2.458 . 0 0 "[ . 1]" 1
197 1 23 THR HG1 1 24 MET H 3.150 . 4.500 4.212 3.477 4.626 0.126 8 0 "[ . 1]" 1
198 1 23 THR H 1 24 MET H 3.150 . 4.500 4.517 4.469 4.548 0.048 4 0 "[ . 1]" 1
199 1 24 MET H 1 24 MET HG3 2.650 . 3.500 2.153 1.985 2.283 . 0 0 "[ . 1]" 1
200 1 24 MET H 1 24 MET HB3 2.650 . 3.500 2.584 2.528 2.676 . 0 0 "[ . 1]" 1
201 1 24 MET H 1 24 MET HB2 2.650 . 3.500 3.615 3.608 3.619 0.119 6 0 "[ . 1]" 1
202 1 24 MET H 1 24 MET HA 2.650 . 3.500 2.837 2.810 2.864 . 0 0 "[ . 1]" 1
203 1 23 THR HA 1 24 MET H 2.300 . 2.800 2.604 2.551 2.658 . 0 0 "[ . 1]" 1
204 1 23 THR MG 1 24 MET H 3.150 . 4.500 3.430 3.291 3.664 . 0 0 "[ . 1]" 1
205 1 24 MET HA 1 24 MET HB2 2.650 . 3.500 2.441 2.409 2.471 . 0 0 "[ . 1]" 1
206 1 24 MET HA 1 24 MET HB3 2.650 . 3.500 2.456 2.429 2.492 . 0 0 "[ . 1]" 1
207 1 24 MET HA 1 81 ASP QB 3.150 . 3.500 3.558 2.835 4.238 0.738 9 1 "[ . +1]" 1
208 1 24 MET HB2 1 24 MET HG2 2.650 . 3.500 2.629 2.603 2.697 . 0 0 "[ . 1]" 1
209 1 24 MET HB2 1 24 MET HG3 2.650 . 3.500 2.970 2.933 2.983 . 0 0 "[ . 1]" 1
210 1 24 MET HB3 1 24 MET HG3 2.300 . 2.800 2.638 2.610 2.704 . 0 0 "[ . 1]" 1
211 1 24 MET HG2 1 79 TYR QD 3.750 . 5.700 5.022 4.513 5.419 . 0 0 "[ . 1]" 1
212 1 24 MET HB3 1 24 MET HG2 2.650 . 3.500 2.266 2.233 2.286 . 0 0 "[ . 1]" 1
213 1 25 SER H 1 78 GLU QG 3.750 . 5.700 4.469 3.949 4.984 . 0 0 "[ . 1]" 1
214 1 23 THR HG1 1 25 SER H 2.650 . 3.500 3.351 2.196 4.043 0.543 9 1 "[ . +1]" 1
215 1 24 MET HG2 1 25 SER H 3.150 . 4.500 4.245 4.032 4.399 . 0 0 "[ . 1]" 1
216 1 25 SER H 1 25 SER HA 2.300 . 2.800 2.904 2.884 2.926 0.126 9 0 "[ . 1]" 1
217 1 25 SER H 1 25 SER HB3 2.650 . 3.500 3.476 3.199 3.633 0.133 7 0 "[ . 1]" 1
218 1 25 SER H 1 25 SER HB2 2.650 . 3.500 2.981 2.540 3.373 . 0 0 "[ . 1]" 1
219 1 25 SER H 1 25 SER HG 2.650 . 3.500 2.767 2.513 3.560 0.060 6 0 "[ . 1]" 1
220 1 24 MET HG3 1 25 SER H 3.150 . 4.500 2.585 2.364 2.749 . 0 0 "[ . 1]" 1
221 1 25 SER H 1 27 LEU H 2.650 . 3.500 3.441 3.270 3.570 0.070 3 0 "[ . 1]" 1
222 1 25 SER H 1 26 GLY H 2.650 . 2.800 2.423 2.333 2.495 . 0 0 "[ . 1]" 1
223 1 24 MET H 1 25 SER H 2.650 . 3.500 2.569 2.455 2.674 . 0 0 "[ . 1]" 1
224 1 25 SER HA 1 25 SER HB3 2.300 . 2.800 2.311 2.252 2.422 . 0 0 "[ . 1]" 1
225 1 25 SER HA 1 25 SER HB2 2.300 . 2.800 2.907 2.743 3.029 0.229 6 0 "[ . 1]" 1
226 1 26 GLY H 1 26 GLY HA3 2.650 . 3.500 2.876 2.857 2.912 . 0 0 "[ . 1]" 1
227 1 25 SER HA 1 26 GLY H 2.650 . 3.500 3.267 3.209 3.377 . 0 0 "[ . 1]" 1
228 1 24 MET H 1 26 GLY H 3.150 . 4.500 4.067 4.007 4.125 . 0 0 "[ . 1]" 1
229 1 26 GLY H 1 27 LEU HB2 3.750 . 5.700 4.756 4.591 4.865 . 0 0 "[ . 1]" 1
230 1 25 SER HG 1 26 GLY H 3.750 . 5.700 4.687 4.522 5.245 . 0 0 "[ . 1]" 1
231 1 25 SER HB2 1 26 GLY H 3.150 . 4.500 3.730 3.466 3.995 . 0 0 "[ . 1]" 1
232 1 26 GLY H 1 26 GLY HA2 2.650 . 3.500 2.314 2.301 2.346 . 0 0 "[ . 1]" 1
233 1 22 LYS QB 1 26 GLY H 3.400 . 5.000 4.020 3.827 4.219 . 0 0 "[ . 1]" 1
234 1 22 LYS HA 1 26 GLY H 3.750 . 5.700 5.540 5.283 5.728 0.028 8 0 "[ . 1]" 1
235 1 26 GLY H 1 27 LEU H 2.300 . 2.800 2.479 2.308 2.538 . 0 0 "[ . 1]" 1
236 1 22 LYS QB 1 26 GLY HA2 3.150 . 4.500 2.915 2.375 3.185 . 0 0 "[ . 1]" 1
237 1 26 GLY HA2 1 27 LEU H 2.650 . 3.500 3.060 2.986 3.201 . 0 0 "[ . 1]" 1
238 1 22 LYS HA 1 27 LEU H 3.750 . 5.700 4.656 4.516 4.909 . 0 0 "[ . 1]" 1
239 1 23 THR H 1 27 LEU H 2.650 . 3.500 2.938 2.738 3.129 . 0 0 "[ . 1]" 1
240 1 25 SER HA 1 27 LEU H 3.400 . 5.000 4.629 4.417 4.799 . 0 0 "[ . 1]" 1
241 1 23 THR HG1 1 27 LEU H 2.650 . 3.500 2.758 2.534 3.019 . 0 0 "[ . 1]" 1
242 1 26 GLY HA3 1 27 LEU H 2.650 . 3.500 3.434 3.347 3.472 . 0 0 "[ . 1]" 1
243 1 27 LEU H 1 28 GLU H 3.150 . 4.500 4.571 4.545 4.603 0.103 5 0 "[ . 1]" 1
244 1 27 LEU H 1 27 LEU MD1 3.150 . 4.500 3.703 3.470 3.814 . 0 0 "[ . 1]" 1
245 1 27 LEU H 1 27 LEU HB3 2.650 . 3.500 3.642 3.566 3.673 0.173 4 0 "[ . 1]" 1
246 1 27 LEU H 1 27 LEU HG 2.650 . 3.500 2.527 2.360 2.698 . 0 0 "[ . 1]" 1
247 1 27 LEU H 1 27 LEU HB2 2.650 . 3.500 2.495 2.328 2.545 . 0 0 "[ . 1]" 1
248 1 27 LEU HA 1 27 LEU HB2 2.650 . 3.500 3.019 3.007 3.022 . 0 0 "[ . 1]" 1
249 1 27 LEU HB3 1 27 LEU HG 2.650 . 3.500 3.018 3.012 3.021 . 0 0 "[ . 1]" 1
250 1 27 LEU HB2 1 27 LEU HG 2.650 . 3.500 2.491 2.443 2.543 . 0 0 "[ . 1]" 1
251 1 27 LEU HB2 1 27 LEU MD1 3.150 . 4.500 2.301 2.234 2.354 . 0 0 "[ . 1]" 1
252 1 27 LEU HA 1 27 LEU HB3 2.650 . 3.500 2.462 2.434 2.562 . 0 0 "[ . 1]" 1
253 1 27 LEU HB3 1 27 LEU MD2 3.150 . 4.500 2.331 2.284 2.366 . 0 0 "[ . 1]" 1
254 1 27 LEU MD2 1 72 ASP QB 3.150 . 4.500 3.740 3.393 3.979 . 0 0 "[ . 1]" 1
255 1 27 LEU HA 1 27 LEU MD2 3.150 . 4.500 2.111 2.004 2.163 . 0 0 "[ . 1]" 1
256 1 27 LEU MD2 1 70 THR MG 2.650 . 3.500 3.743 3.448 3.933 0.433 5 0 "[ . 1]" 1
257 1 27 LEU MD1 1 78 GLU QG 3.750 . 5.700 2.734 2.135 3.279 . 0 0 "[ . 1]" 1
258 1 27 LEU MD1 1 75 LYS HG2 3.150 . 4.500 3.032 2.306 3.516 . 0 0 "[ . 1]" 1
259 1 27 LEU HA 1 27 LEU HG 2.650 . 3.500 3.099 2.996 3.153 . 0 0 "[ . 1]" 1
260 1 28 GLU H 1 28 GLU HA 2.650 . 3.500 2.871 2.820 2.914 . 0 0 "[ . 1]" 1
261 1 27 LEU MD2 1 28 GLU H 3.750 . 5.700 3.468 3.013 3.602 . 0 0 "[ . 1]" 1
262 1 22 LYS HA 1 28 GLU H 3.750 . 5.700 5.145 5.008 5.561 . 0 0 "[ . 1]" 1
263 1 27 LEU HA 1 28 GLU H 2.300 . 2.800 2.330 2.276 2.426 . 0 0 "[ . 1]" 1
264 1 22 LYS QD 1 28 GLU H 3.750 . 5.700 5.751 5.245 6.939 1.239 9 1 "[ . +1]" 1
265 1 28 GLU H 1 28 GLU QG 3.150 . 4.500 2.253 2.110 2.599 . 0 0 "[ . 1]" 1
266 1 27 LEU HB2 1 28 GLU H 2.650 . 3.500 3.721 3.548 3.886 0.386 9 0 "[ . 1]" 1
267 1 28 GLU H 1 71 THR H 3.150 . 4.500 4.257 3.835 4.536 0.036 9 0 "[ . 1]" 1
268 1 28 GLU H 1 28 GLU HB2 2.300 . 2.800 2.523 2.309 2.626 . 0 0 "[ . 1]" 1
269 1 22 LYS QB 1 28 GLU HA 3.150 . 4.500 4.509 4.303 5.127 0.627 9 1 "[ . +1]" 1
270 1 22 LYS QG 1 28 GLU HA 2.650 . 3.500 2.893 2.468 4.063 0.563 9 1 "[ . +1]" 1
271 1 28 GLU HA 1 28 GLU QG 3.150 . 4.500 2.497 2.292 2.865 . 0 0 "[ . 1]" 1
272 1 28 GLU HA 1 28 GLU HB2 2.650 . 3.500 3.019 3.008 3.026 . 0 0 "[ . 1]" 1
273 1 28 GLU HB3 1 28 GLU QG 2.300 . 2.800 2.379 2.335 2.419 . 0 0 "[ . 1]" 1
274 1 28 GLU HA 1 28 GLU HB3 2.650 . 3.500 2.445 2.385 2.564 . 0 0 "[ . 1]" 1
275 1 28 GLU HB2 1 28 GLU QG 2.300 . 2.800 2.291 2.165 2.351 . 0 0 "[ . 1]" 1
276 1 22 LYS H 1 29 CYS H 3.400 . 5.000 5.021 4.755 5.494 0.494 9 0 "[ . 1]" 1
277 1 22 LYS HB3 1 29 CYS H 3.750 . 5.700 5.665 5.485 5.979 0.279 9 0 "[ . 1]" 1
278 1 21 SER HA 1 29 CYS H 3.750 . 5.700 4.360 4.176 4.718 . 0 0 "[ . 1]" 1
279 1 22 LYS QG 1 29 CYS H 3.150 . 4.500 3.888 3.653 4.514 0.014 9 0 "[ . 1]" 1
280 1 22 LYS HA 1 29 CYS H 2.650 . 3.500 3.273 3.045 3.772 0.272 9 0 "[ . 1]" 1
281 1 29 CYS H 1 29 CYS QB 2.300 . 2.800 2.252 2.213 2.310 . 0 0 "[ . 1]" 1
282 1 28 GLU HA 1 29 CYS H 2.300 . 2.800 2.171 2.136 2.211 . 0 0 "[ . 1]" 1
283 1 28 GLU QG 1 29 CYS H 2.650 . 3.500 4.162 3.795 4.523 1.023 9 8 "[* -*** *+*]" 1
284 1 28 GLU HB3 1 29 CYS H 3.150 . 4.500 3.054 2.928 3.216 . 0 0 "[ . 1]" 1
285 1 29 CYS H 1 30 GLN H 3.400 . 5.000 4.533 4.457 4.575 . 0 0 "[ . 1]" 1
286 1 29 CYS H 1 71 THR H 3.750 . 5.700 5.327 5.052 5.613 . 0 0 "[ . 1]" 1
287 1 29 CYS H 1 29 CYS HA 2.650 . 3.500 2.905 2.883 2.925 . 0 0 "[ . 1]" 1
288 1 23 THR H 1 29 CYS H 3.750 . 5.700 4.824 4.634 5.183 . 0 0 "[ . 1]" 1
289 1 29 CYS HA 1 70 THR HA 2.650 . 3.500 2.506 2.313 2.856 . 0 0 "[ . 1]" 1
290 1 29 CYS HA 1 71 THR MG 3.750 . 5.700 4.783 4.197 5.682 . 0 0 "[ . 1]" 1
291 1 30 GLN H 1 69 PHE HB3 3.150 . 4.500 4.027 3.568 4.252 . 0 0 "[ . 1]" 1
292 1 30 GLN H 1 30 GLN HB3 2.650 . 3.500 2.446 2.360 2.594 . 0 0 "[ . 1]" 1
293 1 29 CYS HA 1 30 GLN H 2.650 . 3.500 2.178 2.154 2.204 . 0 0 "[ . 1]" 1
294 1 29 CYS QB 1 30 GLN H 2.650 . 3.500 3.601 3.549 3.711 0.211 9 0 "[ . 1]" 1
295 1 30 GLN H 1 30 GLN HA 2.650 . 3.500 2.904 2.895 2.923 . 0 0 "[ . 1]" 1
296 1 30 GLN H 1 70 THR HA 2.650 . 3.500 3.059 2.837 3.259 . 0 0 "[ . 1]" 1
297 1 30 GLN H 1 69 PHE HB2 3.150 . 4.500 3.667 3.489 4.014 . 0 0 "[ . 1]" 1
298 1 30 GLN H 1 30 GLN HB2 2.650 . 3.500 2.729 2.579 2.869 . 0 0 "[ . 1]" 1
299 1 30 GLN H 1 30 GLN QG 3.150 . 4.500 3.983 3.957 4.018 . 0 0 "[ . 1]" 1
300 1 30 GLN HA 1 30 GLN QG 3.150 . 4.500 2.529 2.422 2.609 . 0 0 "[ . 1]" 1
301 1 30 GLN HA 1 30 GLN HB3 2.650 . 3.500 3.027 3.022 3.031 . 0 0 "[ . 1]" 1
302 1 30 GLN HA 1 30 GLN HB2 2.650 . 3.500 2.456 2.405 2.521 . 0 0 "[ . 1]" 1
303 1 30 GLN HB2 1 30 GLN QG 2.650 . 3.500 2.250 2.207 2.320 . 0 0 "[ . 1]" 1
304 1 30 GLN QE 1 36 SER HA 3.750 . 5.700 5.526 4.503 6.420 0.720 1 2 "[+ - . 1]" 1
305 1 30 GLN QE 1 35 GLN HA 3.150 . 4.500 4.555 3.167 5.501 1.001 2 4 "[-+* . *1]" 1
306 1 31 ALA H 1 31 ALA HA 2.300 . 2.800 2.839 2.807 2.852 0.052 7 0 "[ . 1]" 1
307 1 31 ALA H 1 34 SER H 3.750 . 5.700 4.431 4.316 4.565 . 0 0 "[ . 1]" 1
308 1 31 ALA H 1 31 ALA MB 2.650 . 3.500 2.199 2.076 2.259 . 0 0 "[ . 1]" 1
309 1 30 GLN HA 1 31 ALA H 2.300 . 2.800 2.261 2.204 2.293 . 0 0 "[ . 1]" 1
310 1 30 GLN H 1 31 ALA H 3.150 . 4.500 4.579 4.554 4.599 0.099 7 0 "[ . 1]" 1
311 1 31 ALA H 1 55 ASN HB2 2.650 . 3.500 3.813 3.629 4.071 0.571 7 1 "[ . + 1]" 1
312 1 31 ALA H 1 32 TRP H 3.150 . 4.500 4.592 4.580 4.607 0.107 2 0 "[ . 1]" 1
313 1 30 GLN HB2 1 31 ALA H 3.150 . 4.500 4.044 3.960 4.116 . 0 0 "[ . 1]" 1
314 1 31 ALA H 1 55 ASN HA 3.400 . 5.000 4.529 4.290 4.790 . 0 0 "[ . 1]" 1
315 1 30 GLN QG 1 31 ALA H 2.650 . 3.500 2.250 2.012 2.517 . 0 0 "[ . 1]" 1
316 1 31 ALA HA 1 55 ASN HB2 2.650 . 3.500 2.948 2.720 3.175 . 0 0 "[ . 1]" 1
317 1 31 ALA HA 1 55 ASN HA 2.650 . 3.500 2.028 1.817 2.196 . 0 0 "[ . 1]" 1
318 1 31 ALA HA 1 55 ASN HB3 2.650 . 3.500 2.148 1.862 2.405 . 0 0 "[ . 1]" 1
319 1 31 ALA MB 1 55 ASN HB2 3.150 . 4.500 3.729 3.515 3.947 . 0 0 "[ . 1]" 1
320 1 31 ALA MB 1 32 TRP H 3.150 . 4.500 2.842 2.665 2.973 . 0 0 "[ . 1]" 1
321 1 32 TRP H 1 34 SER H 3.150 . 4.500 4.036 3.948 4.130 . 0 0 "[ . 1]" 1
322 1 32 TRP H 1 32 TRP HD1 2.650 . 3.500 2.474 2.276 2.619 . 0 0 "[ . 1]" 1
323 1 32 TRP H 1 32 TRP HA 2.300 . 2.800 2.830 2.816 2.852 0.052 9 0 "[ . 1]" 1
324 1 32 TRP H 1 32 TRP HB2 2.650 . 3.500 2.546 2.500 2.579 . 0 0 "[ . 1]" 1
325 1 32 TRP H 1 55 ASN HA 2.650 . 3.500 2.903 2.668 3.081 . 0 0 "[ . 1]" 1
326 1 32 TRP H 1 33 ASP H 2.650 . 3.500 2.585 2.480 2.652 . 0 0 "[ . 1]" 1
327 1 32 TRP H 1 32 TRP HB3 2.650 . 3.500 3.595 3.582 3.607 0.107 3 0 "[ . 1]" 1
328 1 31 ALA HA 1 32 TRP H 2.300 . 2.800 2.204 2.159 2.250 . 0 0 "[ . 1]" 1
329 1 32 TRP H 1 32 TRP HE1 3.150 . 4.500 4.440 4.344 4.521 0.021 3 0 "[ . 1]" 1
330 1 32 TRP HA 1 32 TRP HB2 2.650 . 3.500 3.027 3.022 3.030 . 0 0 "[ . 1]" 1
331 1 32 TRP HA 1 32 TRP HB3 2.650 . 3.500 2.450 2.428 2.469 . 0 0 "[ . 1]" 1
332 1 32 TRP HB3 1 44 PRO HG3 3.150 . 4.500 2.645 2.145 3.043 . 0 0 "[ . 1]" 1
333 1 32 TRP HB3 1 52 LEU HB2 3.750 . 5.700 5.159 4.711 5.473 . 0 0 "[ . 1]" 1
334 1 32 TRP HB2 1 44 PRO HG3 3.150 . 4.500 2.503 2.357 2.919 . 0 0 "[ . 1]" 1
335 1 32 TRP HE1 1 57 CYS H 3.400 . 5.000 4.897 4.787 5.077 0.077 6 0 "[ . 1]" 1
336 1 32 TRP HB2 1 32 TRP HE1 3.400 . 5.000 4.789 4.779 4.805 . 0 0 "[ . 1]" 1
337 1 32 TRP HE1 1 52 LEU HA 3.150 . 4.500 4.636 4.386 4.926 0.426 7 0 "[ . 1]" 1
338 1 32 TRP HE1 1 53 LYS HA 3.750 . 5.700 6.368 6.190 6.674 0.974 7 9 "[- ****+***]" 1
339 1 32 TRP HE1 1 55 ASN HA 3.150 . 4.500 3.726 3.428 4.020 . 0 0 "[ . 1]" 1
340 1 32 TRP HE1 1 56 TYR HA 3.150 . 4.500 4.668 4.530 4.768 0.268 9 0 "[ . 1]" 1
341 1 32 TRP HE1 1 56 TYR H 2.650 . 3.500 3.351 3.114 3.595 0.095 3 0 "[ . 1]" 1
342 1 32 TRP HE1 1 52 LEU MD1 3.750 . 5.700 4.773 3.821 5.367 . 0 0 "[ . 1]" 1
343 1 32 TRP HE1 1 52 LEU HG 3.750 . 5.700 4.031 3.763 4.218 . 0 0 "[ . 1]" 1
344 1 32 TRP HE1 1 58 ARG QB 3.150 . 4.500 3.829 3.326 5.279 0.779 2 1 "[ + . 1]" 1
345 1 32 TRP HE1 1 58 ARG HG2 3.150 . 4.500 3.025 2.676 3.373 . 0 0 "[ . 1]" 1
346 1 32 TRP HE1 1 58 ARG HG3 3.150 . 4.500 3.446 3.094 4.069 . 0 0 "[ . 1]" 1
347 1 32 TRP HE1 1 69 PHE H 3.750 . 5.700 5.750 5.380 6.242 0.542 2 1 "[ + . 1]" 1
348 1 33 ASP H 1 34 SER H 2.650 . 3.500 2.408 2.249 2.531 . 0 0 "[ . 1]" 1
349 1 33 ASP H 1 44 PRO HG3 3.150 . 4.500 4.207 3.812 4.406 . 0 0 "[ . 1]" 1
350 1 32 TRP HA 1 33 ASP H 2.650 . 3.500 3.450 3.416 3.493 . 0 0 "[ . 1]" 1
351 1 33 ASP H 1 34 SER HB2 3.150 . 4.500 4.332 4.085 4.611 0.111 9 0 "[ . 1]" 1
352 1 32 TRP HD1 1 33 ASP H 3.750 . 5.700 4.517 4.394 4.633 . 0 0 "[ . 1]" 1
353 1 33 ASP H 1 44 PRO HG2 3.400 . 5.000 4.217 3.975 4.498 . 0 0 "[ . 1]" 1
354 1 32 TRP HB3 1 33 ASP H 3.150 . 4.500 4.024 3.918 4.099 . 0 0 "[ . 1]" 1
355 1 31 ALA MB 1 33 ASP H 3.750 . 5.700 2.513 2.372 2.661 . 0 0 "[ . 1]" 1
356 1 33 ASP H 1 33 ASP QB 2.650 . 3.500 2.666 2.489 2.791 . 0 0 "[ . 1]" 1
357 1 33 ASP H 1 33 ASP HA 2.650 . 3.500 2.928 2.912 2.935 . 0 0 "[ . 1]" 1
358 1 33 ASP HA 1 44 PRO HG2 3.150 . 4.500 3.240 2.899 3.651 . 0 0 "[ . 1]" 1
359 1 33 ASP HA 1 33 ASP QB 2.650 . 3.500 2.177 2.170 2.183 . 0 0 "[ . 1]" 1
360 1 33 ASP HA 1 44 PRO HD3 3.150 . 4.500 3.563 3.300 3.871 . 0 0 "[ . 1]" 1
361 1 34 SER HA 1 34 SER HB3 2.650 . 3.500 2.856 2.523 3.037 . 0 0 "[ . 1]" 1
362 1 34 SER HA 1 34 SER HB2 2.650 . 3.500 2.711 2.424 3.022 . 0 0 "[ . 1]" 1
363 1 30 GLN QE 1 34 SER H 3.150 . 4.500 3.620 3.241 4.201 . 0 0 "[ . 1]" 1
364 1 34 SER H 1 34 SER HA 2.650 . 3.500 2.881 2.836 2.913 . 0 0 "[ . 1]" 1
365 1 34 SER H 1 34 SER HB2 2.650 . 3.500 2.470 2.194 2.785 . 0 0 "[ . 1]" 1
366 1 34 SER H 1 34 SER HG 3.150 . 4.500 4.032 3.144 4.468 . 0 0 "[ . 1]" 1
367 1 34 SER H 1 34 SER HB3 2.300 . 2.800 2.983 2.439 3.604 0.804 5 4 "[ * +- *1]" 1
368 1 34 SER H 1 40 HIS HE1 3.150 . 4.500 6.440 5.989 6.985 2.485 7 10 [******+-**] 1
369 1 33 ASP QB 1 34 SER H 3.150 . 4.500 3.935 3.795 3.991 . 0 0 "[ . 1]" 1
370 1 33 ASP HA 1 34 SER H 2.650 . 3.500 3.188 3.107 3.356 . 0 0 "[ . 1]" 1
371 1 30 GLN QG 1 34 SER H 3.750 . 5.700 4.003 3.837 4.228 . 0 0 "[ . 1]" 1
372 1 31 ALA MB 1 34 SER H 3.750 . 5.700 2.718 2.320 2.885 . 0 0 "[ . 1]" 1
373 1 30 GLN QG 1 34 SER HB3 3.750 . 5.700 2.719 2.333 3.476 . 0 0 "[ . 1]" 1
374 1 31 ALA MB 1 34 SER HB3 3.400 . 5.000 3.281 2.738 3.834 . 0 0 "[ . 1]" 1
375 1 34 SER H 1 35 GLN H 3.150 . 4.500 4.588 4.483 4.640 0.140 2 0 "[ . 1]" 1
376 1 34 SER HB2 1 35 GLN H 3.150 . 4.500 3.992 3.769 4.278 . 0 0 "[ . 1]" 1
377 1 34 SER HA 1 35 GLN H 2.300 . 2.800 2.346 2.154 2.615 . 0 0 "[ . 1]" 1
378 1 34 SER HG 1 35 GLN H 3.150 . 4.500 3.609 3.046 4.961 0.461 5 0 "[ . 1]" 1
379 1 34 SER HB3 1 35 GLN H 3.150 . 4.500 3.294 2.404 3.988 . 0 0 "[ . 1]" 1
380 1 35 GLN H 1 35 GLN QG 3.150 . 4.500 4.167 3.747 4.327 . 0 0 "[ . 1]" 1
381 1 35 GLN H 1 36 SER QB 3.400 . 5.000 4.972 4.481 5.410 0.410 5 0 "[ . 1]" 1
382 1 35 GLN H 1 35 GLN QB 2.900 . 3.500 2.477 2.339 2.721 . 0 0 "[ . 1]" 1
383 1 35 GLN H 1 36 SER H 2.300 . 2.800 2.725 2.230 3.268 0.468 4 0 "[ . 1]" 1
384 1 35 GLN H 1 35 GLN HA 2.650 . 3.500 2.927 2.904 2.942 . 0 0 "[ . 1]" 1
385 1 35 GLN HA 1 35 GLN QB 2.650 . 3.500 2.436 2.402 2.521 . 0 0 "[ . 1]" 1
386 1 35 GLN HA 1 35 GLN QG 3.150 . 4.500 2.857 2.672 2.954 . 0 0 "[ . 1]" 1
387 1 35 GLN QB 1 35 GLN QE 3.750 . 5.700 2.321 1.844 3.418 . 0 0 "[ . 1]" 1
388 1 35 GLN QE 1 43 ILE MD 3.150 . 4.500 3.962 2.973 5.477 0.977 2 1 "[ + . 1]" 1
389 1 35 GLN QE 1 35 GLN QG 2.650 . 3.500 2.473 2.152 2.666 . 0 0 "[ . 1]" 1
390 1 34 SER HG 1 36 SER H 2.650 . 3.500 3.914 2.511 5.112 1.612 5 6 "[-* *+* *1]" 1
391 1 36 SER H 1 38 HIS H 3.150 . 4.500 5.346 5.105 5.542 1.042 6 10 [***-*+****] 1
392 1 36 SER H 1 36 SER HA 2.650 . 3.500 2.849 2.835 2.863 . 0 0 "[ . 1]" 1
393 1 36 SER H 1 36 SER HG 3.750 . 5.700 3.018 2.581 3.478 . 0 0 "[ . 1]" 1
394 1 30 GLN QE 1 36 SER H 3.150 . 4.500 3.557 2.616 4.349 . 0 0 "[ . 1]" 1
395 1 34 SER HB3 1 36 SER H 3.150 . 4.500 2.952 2.252 3.736 . 0 0 "[ . 1]" 1
396 1 35 GLN QB 1 36 SER H 3.150 . 4.500 3.834 3.690 4.006 . 0 0 "[ . 1]" 1
397 1 36 SER H 1 36 SER QB 2.900 . 4.000 2.794 2.555 2.915 . 0 0 "[ . 1]" 1
398 1 36 SER HA 1 36 SER QB 2.300 . 2.800 2.237 2.183 2.339 . 0 0 "[ . 1]" 1
399 1 36 SER HA 1 37 PRO HA 2.650 . 3.500 4.400 4.358 4.415 0.915 9 10 [*******-+*] 1
400 1 37 PRO HA 1 37 PRO QD 3.150 . 4.500 3.422 3.397 3.494 . 0 0 "[ . 1]" 1
401 1 37 PRO QB 1 37 PRO QD 3.150 . 4.500 2.814 2.788 2.902 . 0 0 "[ . 1]" 1
402 1 30 GLN QG 1 37 PRO QD 3.750 . 5.700 6.254 6.041 6.394 0.694 3 8 "[**+*-* **1]" 1
403 1 37 PRO QB 1 38 HIS H 3.150 . 4.500 3.706 3.682 3.738 . 0 0 "[ . 1]" 1
404 1 36 SER HA 1 38 HIS H 2.650 . 3.500 5.278 5.193 5.386 1.886 9 10 [-*******+*] 1
405 1 37 PRO QG 1 38 HIS H 2.650 . 3.500 4.750 4.714 4.933 1.433 8 10 [*-*****+**] 1
406 1 37 PRO QD 1 38 HIS H 3.150 . 4.500 4.622 4.535 4.689 0.189 9 0 "[ . 1]" 1
407 1 37 PRO HA 1 38 HIS H 2.650 . 3.500 2.155 2.137 2.183 . 0 0 "[ . 1]" 1
408 1 30 GLN QE 1 38 HIS H 2.900 . 3.500 4.672 3.934 5.255 1.755 1 8 "[+***.** *-]" 1
409 1 38 HIS H 1 38 HIS HB3 2.650 . 3.500 3.291 2.826 3.573 0.073 7 0 "[ . 1]" 1
410 1 38 HIS H 1 38 HIS HA 2.650 . 3.500 2.930 2.921 2.940 . 0 0 "[ . 1]" 1
411 1 38 HIS H 1 38 HIS HB2 2.650 . 3.500 2.558 2.483 2.804 . 0 0 "[ . 1]" 1
412 1 38 HIS HA 1 38 HIS HB2 2.650 . 3.500 2.841 2.612 2.973 . 0 0 "[ . 1]" 1
413 1 38 HIS HA 1 38 HIS HB3 2.650 . 3.500 2.849 2.698 3.013 . 0 0 "[ . 1]" 1
414 1 37 PRO HA 1 38 HIS HA 3.400 . 5.000 4.352 4.313 4.385 . 0 0 "[ . 1]" 1
415 1 39 ALA H 1 39 ALA MB 2.650 . 3.500 2.355 2.306 2.384 . 0 0 "[ . 1]" 1
416 1 39 ALA H 1 40 HIS H 3.150 . 4.500 4.290 4.239 4.361 . 0 0 "[ . 1]" 1
417 1 38 HIS HA 1 39 ALA H 2.300 . 2.800 2.465 2.399 2.521 . 0 0 "[ . 1]" 1
418 1 39 ALA H 1 39 ALA HA 2.650 . 3.500 2.940 2.917 2.951 . 0 0 "[ . 1]" 1
419 1 38 HIS HB2 1 39 ALA H 3.150 . 4.500 4.079 3.979 4.125 . 0 0 "[ . 1]" 1
420 1 38 HIS HD2 1 39 ALA H 3.750 . 5.700 2.399 1.876 3.179 . 0 0 "[ . 1]" 1
421 1 38 HIS HB3 1 39 ALA H 3.150 . 4.500 2.891 2.610 3.404 . 0 0 "[ . 1]" 1
422 1 40 HIS H 1 40 HIS HB3 2.650 . 3.500 3.492 3.407 3.602 0.102 8 0 "[ . 1]" 1
423 1 40 HIS H 1 42 TYR H 3.750 . 5.700 5.442 5.293 5.607 . 0 0 "[ . 1]" 1
424 1 40 HIS H 1 43 ILE MD 3.750 . 5.700 6.620 6.058 7.254 1.554 5 9 "[ ***+***-*]" 1
425 1 35 GLN QB 1 40 HIS H 3.400 . 5.000 9.994 9.125 10.849 5.849 9 10 [***-****+*] 1
426 1 40 HIS H 1 41 GLY H 3.150 . 4.500 4.359 4.350 4.371 . 0 0 "[ . 1]" 1
427 1 39 ALA MB 1 40 HIS H 3.150 . 4.500 3.368 3.342 3.382 . 0 0 "[ . 1]" 1
428 1 40 HIS H 1 40 HIS HD2 3.400 . 5.000 4.265 2.589 5.340 0.340 2 0 "[ . 1]" 1
429 1 40 HIS H 1 40 HIS HE1 3.750 . 5.700 5.345 4.801 6.237 0.537 4 1 "[ +. 1]" 1
430 1 39 ALA HA 1 40 HIS H 2.300 . 2.800 2.186 2.162 2.211 . 0 0 "[ . 1]" 1
431 1 40 HIS H 1 41 GLY QA 3.750 . 5.700 4.414 4.385 4.468 . 0 0 "[ . 1]" 1
432 1 40 HIS H 1 40 HIS HB2 3.150 . 4.500 4.065 4.034 4.091 . 0 0 "[ . 1]" 1
433 1 40 HIS H 1 40 HIS HA 2.650 . 3.500 2.829 2.817 2.839 . 0 0 "[ . 1]" 1
434 1 40 HIS HA 1 40 HIS HB3 2.650 . 3.500 2.484 2.416 2.550 . 0 0 "[ . 1]" 1
435 1 40 HIS HA 1 40 HIS HB2 2.650 . 3.500 2.425 2.367 2.490 . 0 0 "[ . 1]" 1
436 1 41 GLY H 1 42 TYR H 2.650 . 3.500 2.154 1.928 2.462 . 0 0 "[ . 1]" 1
437 1 41 GLY H 2 13 GLN QB 3.750 . 5.700 7.148 6.535 7.502 1.802 3 10 [**+******-] 1
438 1 41 GLY H 1 41 GLY QA 2.300 . 2.800 2.452 2.415 2.477 . 0 0 "[ . 1]" 1
439 1 41 GLY H 1 42 TYR HB2 3.750 . 5.700 4.064 3.738 4.245 . 0 0 "[ . 1]" 1
440 1 40 HIS HB3 1 41 GLY H 3.150 . 4.500 3.604 3.495 3.774 . 0 0 "[ . 1]" 1
441 1 40 HIS HB2 1 41 GLY H 3.150 . 4.500 2.125 1.995 2.404 . 0 0 "[ . 1]" 1
442 1 41 GLY H 1 69 PHE HZ 3.150 . 4.500 4.462 4.225 4.808 0.308 6 0 "[ . 1]" 1
443 1 41 GLY H 1 42 TYR QD 2.650 . 3.500 2.567 2.002 3.678 0.178 9 0 "[ . 1]" 1
444 1 41 GLY QA 1 43 ILE MD 3.150 . 4.500 3.729 3.309 4.597 0.097 5 0 "[ . 1]" 1
445 1 42 TYR H 1 43 ILE HG12 3.750 . 5.700 4.372 4.110 4.527 . 0 0 "[ . 1]" 1
446 1 42 TYR H 1 42 TYR HA 2.650 . 3.500 2.923 2.899 2.945 . 0 0 "[ . 1]" 1
447 1 40 HIS HB2 1 42 TYR H 3.150 . 4.500 2.767 2.405 3.045 . 0 0 "[ . 1]" 1
448 1 42 TYR H 1 42 TYR HB3 3.150 . 4.500 3.672 3.596 3.753 . 0 0 "[ . 1]" 1
449 1 41 GLY QA 1 42 TYR H 3.150 . 4.500 2.780 2.711 2.831 . 0 0 "[ . 1]" 1
450 1 32 TRP HE3 1 42 TYR H 3.750 . 5.700 5.523 5.127 5.842 0.142 9 0 "[ . 1]" 1
451 1 40 HIS HD2 1 42 TYR H 2.650 . 3.500 2.972 1.726 5.170 1.670 4 3 "[ +. *-]" 1
452 1 42 TYR H 1 43 ILE MD 3.750 . 5.700 3.990 3.680 4.339 . 0 0 "[ . 1]" 1
453 1 42 TYR H 1 42 TYR HB2 2.650 . 3.500 2.518 2.355 2.686 . 0 0 "[ . 1]" 1
454 1 40 HIS HB3 1 42 TYR H 3.150 . 4.500 4.367 4.146 4.531 0.031 5 0 "[ . 1]" 1
455 1 40 HIS HE1 1 42 TYR H 3.400 . 5.000 5.231 3.041 6.319 1.319 7 7 "[*-* **+* 1]" 1
456 1 42 TYR H 1 42 TYR QD 2.650 . 3.500 2.581 2.097 3.486 . 0 0 "[ . 1]" 1
457 1 42 TYR H 1 69 PHE HZ 3.750 . 5.700 5.018 4.500 5.474 . 0 0 "[ . 1]" 1
458 1 42 TYR HA 1 47 PHE QE 2.650 . 3.500 2.447 1.901 3.955 0.455 3 0 "[ . 1]" 1
459 1 42 TYR HA 1 42 TYR HB2 2.650 . 3.500 3.022 3.016 3.028 . 0 0 "[ . 1]" 1
460 1 32 TRP HE3 1 42 TYR HB3 3.150 . 4.500 3.390 2.672 4.227 . 0 0 "[ . 1]" 1
461 1 42 TYR HA 1 42 TYR HB3 2.650 . 3.500 2.471 2.373 2.546 . 0 0 "[ . 1]" 1
462 1 42 TYR HB2 1 42 TYR QD 2.650 . 3.500 2.422 2.282 2.583 . 0 0 "[ . 1]" 1
463 1 42 TYR HB2 1 69 PHE QE 3.150 . 4.500 3.325 2.814 4.270 . 0 0 "[ . 1]" 1
464 1 42 TYR QE 1 67 TRP HH2 3.150 . 4.500 3.094 2.585 3.685 . 0 0 "[ . 1]" 1
465 1 43 ILE H 1 43 ILE MD 3.150 . 4.500 3.490 3.118 3.969 . 0 0 "[ . 1]" 1
466 1 42 TYR HA 1 43 ILE H 2.650 . 3.500 2.178 2.120 2.394 . 0 0 "[ . 1]" 1
467 1 43 ILE H 1 46 LYS H 3.750 . 5.700 4.124 3.883 4.442 . 0 0 "[ . 1]" 1
468 1 43 ILE H 1 47 PHE QE 2.650 . 3.500 3.164 2.215 4.641 1.141 3 1 "[ + . 1]" 1
469 1 43 ILE H 1 43 ILE HA 2.650 . 3.500 2.934 2.885 2.950 . 0 0 "[ . 1]" 1
470 1 43 ILE H 1 46 LYS QE 3.750 . 5.700 3.417 3.113 3.964 . 0 0 "[ . 1]" 1
471 1 43 ILE H 1 44 PRO HA 3.750 . 5.700 5.281 4.987 5.617 . 0 0 "[ . 1]" 1
472 1 43 ILE H 1 43 ILE HB 2.300 . 2.800 2.689 2.600 2.794 . 0 0 "[ . 1]" 1
473 1 43 ILE H 1 43 ILE HG12 2.650 . 3.500 2.525 2.104 3.144 . 0 0 "[ . 1]" 1
474 1 43 ILE H 1 44 PRO HD3 3.750 . 5.700 4.575 4.467 4.642 . 0 0 "[ . 1]" 1
475 1 41 GLY QA 1 43 ILE H 3.150 . 4.500 4.734 3.944 5.213 0.713 5 1 "[ + 1]" 1
476 1 42 TYR H 1 43 ILE H 2.650 . 3.500 4.180 3.722 4.385 0.885 5 8 "[ ** +***-*]" 1
477 1 42 TYR HB3 1 43 ILE H 3.150 . 4.500 3.722 3.308 4.221 . 0 0 "[ . 1]" 1
478 1 43 ILE HB 1 43 ILE MD 3.150 . 4.500 3.238 3.234 3.243 . 0 0 "[ . 1]" 1
479 1 43 ILE HB 1 46 LYS HB3 3.150 . 4.500 4.416 3.916 4.710 0.210 7 0 "[ . 1]" 1
480 1 43 ILE HB 1 43 ILE HG12 2.650 . 3.500 2.472 2.434 2.498 . 0 0 "[ . 1]" 1
481 1 43 ILE HG12 1 43 ILE MG 3.150 . 4.500 3.202 3.198 3.205 . 0 0 "[ . 1]" 1
482 1 43 ILE HG12 1 46 LYS QD 3.150 . 4.500 2.508 2.326 2.754 . 0 0 "[ . 1]" 1
483 1 43 ILE HA 1 43 ILE MD 3.750 . 5.700 2.179 2.047 2.295 . 0 0 "[ . 1]" 1
484 1 43 ILE MG 1 44 PRO HD3 3.150 . 4.500 3.136 3.060 3.220 . 0 0 "[ . 1]" 1
485 1 43 ILE HA 1 43 ILE MG 3.150 . 4.500 2.348 2.236 2.465 . 0 0 "[ . 1]" 1
486 1 43 ILE MD 1 43 ILE MG 3.150 . 4.500 1.962 1.914 2.005 . 0 0 "[ . 1]" 1
487 1 44 PRO HA 1 44 PRO HB3 2.650 . 3.500 2.309 2.305 2.315 . 0 0 "[ . 1]" 1
488 1 44 PRO HA 1 44 PRO HD3 3.150 . 4.500 3.607 3.567 3.663 . 0 0 "[ . 1]" 1
489 1 44 PRO HA 1 52 LEU HB2 3.150 . 4.500 2.701 2.510 3.209 . 0 0 "[ . 1]" 1
490 1 44 PRO HB3 1 44 PRO HG2 2.300 . 2.800 2.639 2.627 2.648 . 0 0 "[ . 1]" 1
491 1 44 PRO HB2 1 45 SER H 3.150 . 4.500 2.723 2.627 2.873 . 0 0 "[ . 1]" 1
492 1 45 SER H 1 46 LYS HB2 3.150 . 4.500 4.675 4.486 4.887 0.387 5 0 "[ . 1]" 1
493 1 44 PRO HA 1 45 SER H 2.650 . 3.500 3.536 3.515 3.550 0.050 6 0 "[ . 1]" 1
494 1 45 SER H 1 45 SER HA 2.650 . 3.500 2.835 2.820 2.858 . 0 0 "[ . 1]" 1
495 1 45 SER H 1 45 SER QB 2.300 . 2.800 2.735 2.487 2.890 0.090 7 0 "[ . 1]" 1
496 1 43 ILE MG 1 45 SER H 3.150 . 4.500 1.855 1.682 2.005 0.118 5 0 "[ . 1]" 1
497 1 45 SER H 1 45 SER HG 2.650 . 3.500 2.616 2.088 3.169 . 0 0 "[ . 1]" 1
498 1 45 SER H 1 46 LYS H 2.650 . 3.500 2.584 2.503 2.678 . 0 0 "[ . 1]" 1
499 1 44 PRO HD2 1 45 SER H 3.150 . 4.500 2.961 2.888 3.056 . 0 0 "[ . 1]" 1
500 1 45 SER H 1 47 PHE H 3.150 . 4.500 4.068 3.882 4.187 . 0 0 "[ . 1]" 1
501 1 43 ILE HB 1 45 SER H 3.150 . 4.500 3.560 3.349 3.847 . 0 0 "[ . 1]" 1
502 1 44 PRO HB3 1 45 SER H 3.150 . 4.500 4.043 3.982 4.141 . 0 0 "[ . 1]" 1
503 1 45 SER HA 1 45 SER QB 2.300 . 2.800 2.231 2.165 2.348 . 0 0 "[ . 1]" 1
504 1 46 LYS H 1 46 LYS HB3 2.650 . 3.500 3.605 3.543 3.689 0.189 5 0 "[ . 1]" 1
505 1 46 LYS H 1 47 PHE HA 3.750 . 5.700 4.939 4.811 5.016 . 0 0 "[ . 1]" 1
506 1 46 LYS H 1 47 PHE H 2.650 . 3.500 2.225 2.063 2.307 . 0 0 "[ . 1]" 1
507 1 46 LYS H 1 46 LYS HA 2.300 . 2.800 2.917 2.895 2.942 0.142 5 0 "[ . 1]" 1
508 1 46 LYS H 1 46 LYS HB2 2.300 . 2.800 2.373 2.264 2.530 . 0 0 "[ . 1]" 1
509 1 46 LYS H 1 46 LYS QG 2.650 . 3.500 2.760 2.552 2.969 . 0 0 "[ . 1]" 1
510 1 46 LYS HA 1 46 LYS QD 3.750 . 5.700 4.168 4.107 4.227 . 0 0 "[ . 1]" 1
511 1 46 LYS HA 1 46 LYS HB2 2.650 . 3.500 3.015 2.995 3.028 . 0 0 "[ . 1]" 1
512 1 46 LYS HB2 1 46 LYS QG 2.650 . 3.500 2.417 2.383 2.453 . 0 0 "[ . 1]" 1
513 1 46 LYS HB2 1 46 LYS QD 3.150 . 4.500 2.338 2.152 2.410 . 0 0 "[ . 1]" 1
514 1 46 LYS HB2 1 47 PHE QD 3.750 . 5.700 3.145 2.807 3.456 . 0 0 "[ . 1]" 1
515 1 46 LYS HA 1 46 LYS QG 3.150 . 4.500 2.416 2.337 2.508 . 0 0 "[ . 1]" 1
516 1 46 LYS QE 1 46 LYS QG 2.650 . 3.500 2.294 2.163 2.364 . 0 0 "[ . 1]" 1
517 1 47 PHE H 1 48 PRO HD2 3.150 . 4.500 3.904 3.708 4.253 . 0 0 "[ . 1]" 1
518 1 46 LYS HB3 1 47 PHE H 3.150 . 4.500 3.958 3.753 4.151 . 0 0 "[ . 1]" 1
519 1 46 LYS HA 1 47 PHE H 2.650 . 3.500 3.404 3.309 3.460 . 0 0 "[ . 1]" 1
520 1 46 LYS HB2 1 47 PHE H 2.900 . 4.000 3.200 2.988 3.472 . 0 0 "[ . 1]" 1
521 1 46 LYS QG 1 47 PHE H 3.400 . 5.000 4.352 4.190 4.459 . 0 0 "[ . 1]" 1
522 1 47 PHE H 1 48 PRO HA 3.150 . 4.500 4.415 4.339 4.523 0.023 2 0 "[ . 1]" 1
523 1 44 PRO HA 1 47 PHE H 3.150 . 4.500 3.404 3.319 3.565 . 0 0 "[ . 1]" 1
524 1 47 PHE H 1 48 PRO HD3 3.150 . 4.500 2.773 2.516 3.124 . 0 0 "[ . 1]" 1
525 1 47 PHE H 1 47 PHE HB3 3.150 . 4.500 3.837 3.676 3.898 . 0 0 "[ . 1]" 1
526 1 47 PHE H 1 47 PHE QD 3.150 . 4.500 3.202 2.875 3.741 . 0 0 "[ . 1]" 1
527 1 47 PHE H 1 47 PHE HA 2.650 . 3.500 2.937 2.931 2.945 . 0 0 "[ . 1]" 1
528 1 47 PHE H 1 47 PHE HB2 2.650 . 3.500 2.803 2.636 3.034 . 0 0 "[ . 1]" 1
529 1 47 PHE HA 1 48 PRO HD2 2.650 . 3.500 2.494 2.261 2.902 . 0 0 "[ . 1]" 1
530 1 47 PHE HA 1 48 PRO HD3 2.650 . 3.500 2.946 2.544 3.140 . 0 0 "[ . 1]" 1
531 1 47 PHE HA 1 47 PHE HB3 2.650 . 3.500 2.453 2.312 2.673 . 0 0 "[ . 1]" 1
532 1 47 PHE HA 1 48 PRO HG2 3.750 . 5.700 4.613 4.406 4.925 . 0 0 "[ . 1]" 1
533 1 47 PHE HA 1 47 PHE QD 2.650 . 3.500 2.804 2.598 2.989 . 0 0 "[ . 1]" 1
534 1 47 PHE HB3 1 47 PHE QD 2.650 . 3.500 2.464 2.408 2.530 . 0 0 "[ . 1]" 1
535 1 47 PHE HB2 1 47 PHE QD 2.650 . 3.500 2.327 2.290 2.365 . 0 0 "[ . 1]" 1
536 1 48 PRO HA 1 48 PRO HB3 2.650 . 3.500 2.308 2.269 2.331 . 0 0 "[ . 1]" 1
537 1 48 PRO HA 1 48 PRO HD3 3.150 . 4.500 3.761 3.663 3.959 . 0 0 "[ . 1]" 1
538 1 48 PRO HD3 1 48 PRO HG2 2.650 . 3.500 2.911 2.681 2.977 . 0 0 "[ . 1]" 1
539 1 48 PRO HD2 1 48 PRO HG2 2.650 . 3.500 2.296 2.280 2.328 . 0 0 "[ . 1]" 1
540 1 48 PRO HG3 1 49 ASN H 3.150 . 4.500 4.194 3.862 4.417 . 0 0 "[ . 1]" 1
541 1 49 ASN H 1 51 ASN H 3.750 . 5.700 3.944 3.759 4.035 . 0 0 "[ . 1]" 1
542 1 47 PHE HA 1 49 ASN H 3.150 . 4.500 3.210 3.011 3.490 . 0 0 "[ . 1]" 1
543 1 48 PRO HB3 1 49 ASN H 3.150 . 4.500 4.271 4.121 4.371 . 0 0 "[ . 1]" 1
544 1 48 PRO HD2 1 49 ASN H 3.150 . 4.500 2.430 2.095 2.584 . 0 0 "[ . 1]" 1
545 1 49 ASN H 1 49 ASN HB3 2.650 . 3.500 2.701 2.581 2.977 . 0 0 "[ . 1]" 1
546 1 48 PRO HG2 1 49 ASN H 2.650 . 3.500 3.023 2.381 3.867 0.367 5 0 "[ . 1]" 1
547 1 49 ASN H 1 49 ASN HB2 2.650 . 3.500 3.621 3.555 3.649 0.149 8 0 "[ . 1]" 1
548 1 49 ASN H 1 50 LYS H 2.650 . 3.500 2.420 2.314 2.523 . 0 0 "[ . 1]" 1
549 1 48 PRO HD3 1 49 ASN H 3.150 . 4.500 3.692 3.441 3.789 . 0 0 "[ . 1]" 1
550 1 49 ASN H 1 49 ASN HA 2.650 . 3.500 2.879 2.859 2.908 . 0 0 "[ . 1]" 1
551 1 48 PRO HA 1 49 ASN H 2.650 . 3.500 3.434 3.335 3.524 0.024 2 0 "[ . 1]" 1
552 1 49 ASN H 1 50 LYS HG2 3.750 . 5.700 4.044 3.835 4.351 . 0 0 "[ . 1]" 1
553 1 49 ASN HA 1 49 ASN HB3 2.650 . 3.500 2.450 2.338 2.483 . 0 0 "[ . 1]" 1
554 1 49 ASN HA 1 49 ASN HB2 2.300 . 2.800 2.460 2.410 2.609 . 0 0 "[ . 1]" 1
555 1 49 ASN HA 1 50 LYS H 2.650 . 3.500 3.394 3.322 3.464 . 0 0 "[ . 1]" 1
556 1 49 ASN HB3 1 50 LYS H 3.150 . 4.500 4.224 4.146 4.271 . 0 0 "[ . 1]" 1
557 1 47 PHE HB2 1 50 LYS H 3.150 . 4.500 4.363 3.786 5.067 0.567 3 1 "[ + . 1]" 1
558 1 47 PHE HA 1 50 LYS H 3.750 . 5.700 3.891 3.657 4.017 . 0 0 "[ . 1]" 1
559 1 50 LYS H 1 50 LYS HG2 2.650 . 3.500 2.683 2.525 2.888 . 0 0 "[ . 1]" 1
560 1 50 LYS H 1 50 LYS HB3 2.650 . 3.500 3.670 3.633 3.698 0.198 10 0 "[ . 1]" 1
561 1 50 LYS H 1 50 LYS HB2 2.300 . 2.800 2.497 2.419 2.566 . 0 0 "[ . 1]" 1
562 1 50 LYS H 1 50 LYS HA 2.650 . 3.500 2.926 2.900 2.943 . 0 0 "[ . 1]" 1
563 1 50 LYS H 1 51 ASN H 2.650 . 3.500 2.306 2.176 2.433 . 0 0 "[ . 1]" 1
564 1 50 LYS H 1 50 LYS HG3 3.150 . 4.500 4.008 3.905 4.169 . 0 0 "[ . 1]" 1
565 1 50 LYS H 1 52 LEU H 3.150 . 4.500 4.006 3.834 4.195 . 0 0 "[ . 1]" 1
566 1 50 LYS HA 1 50 LYS HG2 3.150 . 4.500 3.125 2.984 3.212 . 0 0 "[ . 1]" 1
567 1 50 LYS HA 1 50 LYS HB3 2.300 . 2.800 2.485 2.444 2.529 . 0 0 "[ . 1]" 1
568 1 50 LYS HA 1 50 LYS HB2 2.650 . 3.500 3.024 3.013 3.028 . 0 0 "[ . 1]" 1
569 1 50 LYS HG2 1 60 PRO HB3 3.150 . 4.500 4.218 3.875 4.480 . 0 0 "[ . 1]" 1
570 1 47 PHE HB3 1 50 LYS HG2 3.150 . 4.500 2.960 2.232 3.830 . 0 0 "[ . 1]" 1
571 1 50 LYS QD 1 50 LYS HG2 2.300 . 2.800 2.336 2.297 2.365 . 0 0 "[ . 1]" 1
572 1 50 LYS HB2 1 50 LYS HG2 2.300 . 2.800 2.422 2.402 2.445 . 0 0 "[ . 1]" 1
573 1 50 LYS HA 1 50 LYS QD 3.150 . 4.500 1.994 1.906 2.095 . 0 0 "[ . 1]" 1
574 1 51 ASN H 1 51 ASN HA 2.300 . 2.800 2.260 2.254 2.266 . 0 0 "[ . 1]" 1
575 1 51 ASN H 1 52 LEU H 2.650 . 3.500 2.990 2.896 3.087 . 0 0 "[ . 1]" 1
576 1 50 LYS HB2 1 51 ASN H 3.150 . 4.500 3.633 3.447 3.763 . 0 0 "[ . 1]" 1
577 1 51 ASN H 1 51 ASN HB3 2.900 . 4.000 3.670 3.592 3.759 . 0 0 "[ . 1]" 1
578 1 51 ASN HA 1 51 ASN HB3 2.650 . 3.500 3.012 2.994 3.022 . 0 0 "[ . 1]" 1
579 1 51 ASN HA 1 51 ASN HB2 2.650 . 3.500 2.551 2.488 2.617 . 0 0 "[ . 1]" 1
580 1 52 LEU H 1 52 LEU MD2 3.150 . 4.500 4.159 4.083 4.298 . 0 0 "[ . 1]" 1
581 1 52 LEU H 1 52 LEU MD1 3.750 . 5.700 2.949 2.615 3.629 . 0 0 "[ . 1]" 1
582 1 52 LEU H 1 53 LYS H 3.150 . 4.500 4.339 4.299 4.378 . 0 0 "[ . 1]" 1
583 1 44 PRO HB3 1 52 LEU H 3.750 . 5.700 4.519 4.176 4.848 . 0 0 "[ . 1]" 1
584 1 44 PRO HB2 1 52 LEU H 3.750 . 5.700 5.965 5.592 6.200 0.500 7 1 "[ . + 1]" 1
585 1 52 LEU H 1 53 LYS QE 3.150 . 4.500 3.879 3.490 4.712 0.212 7 0 "[ . 1]" 1
586 1 52 LEU H 1 52 LEU HB3 2.650 . 3.500 3.333 2.970 3.483 . 0 0 "[ . 1]" 1
587 1 52 LEU H 1 52 LEU HG 3.150 . 4.500 4.332 4.127 4.548 0.048 7 0 "[ . 1]" 1
588 1 51 ASN HB3 1 52 LEU H 3.150 . 4.500 4.382 4.348 4.421 . 0 0 "[ . 1]" 1
589 1 52 LEU H 1 52 LEU HB2 2.300 . 2.800 2.158 2.120 2.220 . 0 0 "[ . 1]" 1
590 1 51 ASN HA 1 52 LEU H 2.300 . 2.800 2.564 2.521 2.634 . 0 0 "[ . 1]" 1
591 1 52 LEU H 1 52 LEU HA 2.650 . 3.500 2.898 2.883 2.917 . 0 0 "[ . 1]" 1
592 1 44 PRO HG3 1 52 LEU HB3 3.150 . 4.500 3.010 2.710 3.384 . 0 0 "[ . 1]" 1
593 1 42 TYR HA 1 52 LEU MD2 3.750 . 5.700 4.657 4.438 4.919 . 0 0 "[ . 1]" 1
594 1 42 TYR HB3 1 52 LEU MD2 3.750 . 5.700 3.189 2.926 3.376 . 0 0 "[ . 1]" 1
595 1 42 TYR HB2 1 52 LEU MD2 3.750 . 5.700 4.219 3.943 4.532 . 0 0 "[ . 1]" 1
596 1 42 TYR QD 1 52 LEU MD2 3.150 . 4.500 3.977 3.387 4.804 0.304 6 0 "[ . 1]" 1
597 1 52 LEU MD1 1 58 ARG HG2 3.150 . 4.500 4.012 3.514 4.559 0.059 1 0 "[ . 1]" 1
598 1 52 LEU HA 1 52 LEU MD1 3.150 . 4.500 2.331 2.103 2.612 . 0 0 "[ . 1]" 1
599 1 52 LEU MD1 1 58 ARG QB 3.150 . 4.500 2.624 2.325 3.389 . 0 0 "[ . 1]" 1
600 1 52 LEU MD1 1 60 PRO HB2 3.150 . 4.500 3.866 3.343 4.355 . 0 0 "[ . 1]" 1
601 1 53 LYS H 1 53 LYS HG3 3.150 . 4.500 4.384 4.294 4.544 0.044 7 0 "[ . 1]" 1
602 1 53 LYS H 1 53 LYS HG2 3.150 . 4.500 3.197 3.027 3.491 . 0 0 "[ . 1]" 1
603 1 53 LYS H 1 53 LYS HB2 2.300 . 2.800 2.854 2.806 2.955 0.155 4 0 "[ . 1]" 1
604 1 53 LYS H 1 53 LYS HA 2.650 . 3.500 2.917 2.907 2.927 . 0 0 "[ . 1]" 1
605 1 32 TRP HE1 1 53 LYS H 3.750 . 5.700 4.409 4.154 4.706 . 0 0 "[ . 1]" 1
606 1 53 LYS H 1 58 ARG HD2 3.750 . 5.700 3.756 2.964 4.478 . 0 0 "[ . 1]" 1
607 1 53 LYS H 1 58 ARG HD3 3.750 . 5.700 5.292 4.001 6.001 0.301 7 0 "[ . 1]" 1
608 1 53 LYS H 1 56 TYR H 3.750 . 5.700 4.396 4.237 4.585 . 0 0 "[ . 1]" 1
609 1 52 LEU HA 1 53 LYS H 2.300 . 2.800 2.161 2.146 2.173 . 0 0 "[ . 1]" 1
610 1 52 LEU MD1 1 53 LYS H 3.750 . 5.700 4.203 3.767 4.515 . 0 0 "[ . 1]" 1
611 1 53 LYS HA 1 53 LYS HB2 2.650 . 3.500 3.029 3.018 3.032 . 0 0 "[ . 1]" 1
612 1 53 LYS HA 1 53 LYS HB3 2.650 . 3.500 2.470 2.409 2.555 . 0 0 "[ . 1]" 1
613 1 53 LYS HB2 1 53 LYS QE 2.900 . 4.000 4.251 4.243 4.258 0.258 7 0 "[ . 1]" 1
614 1 53 LYS HB2 1 56 TYR QD 2.650 . 3.500 3.310 2.900 3.666 0.166 6 0 "[ . 1]" 1
615 1 53 LYS QE 1 53 LYS HG2 2.650 . 3.500 2.297 2.231 2.384 . 0 0 "[ . 1]" 1
616 1 53 LYS QE 1 53 LYS HG3 2.650 . 3.500 2.513 2.432 2.597 . 0 0 "[ . 1]" 1
617 1 53 LYS HB3 1 53 LYS HG3 2.650 . 3.500 2.516 2.475 2.568 . 0 0 "[ . 1]" 1
618 1 53 LYS HA 1 53 LYS HG3 3.150 . 4.500 3.825 3.748 3.894 . 0 0 "[ . 1]" 1
619 1 53 LYS HB3 1 53 LYS QE 3.150 . 4.500 4.008 3.990 4.043 . 0 0 "[ . 1]" 1
620 1 53 LYS HA 1 54 LYS H 2.300 . 2.800 2.224 2.126 2.300 . 0 0 "[ . 1]" 1
621 1 54 LYS H 1 54 LYS HB2 3.150 . 4.500 3.589 3.513 3.661 . 0 0 "[ . 1]" 1
622 1 53 LYS HB3 1 54 LYS H 3.150 . 4.500 2.845 2.708 3.128 . 0 0 "[ . 1]" 1
623 1 53 LYS HB2 1 54 LYS H 2.650 . 3.500 3.894 3.743 4.114 0.614 10 2 "[ . - +]" 1
624 1 32 TRP HD1 1 54 LYS H 3.400 . 5.000 4.441 4.159 4.605 . 0 0 "[ . 1]" 1
625 1 54 LYS H 1 55 ASN H 3.400 . 5.000 4.595 4.560 4.638 . 0 0 "[ . 1]" 1
626 1 54 LYS H 1 54 LYS QE 3.150 . 4.500 3.916 3.440 4.086 . 0 0 "[ . 1]" 1
627 1 54 LYS H 1 54 LYS HA 2.300 . 2.800 2.265 2.257 2.276 . 0 0 "[ . 1]" 1
628 1 54 LYS H 1 54 LYS HG2 2.650 . 3.500 2.721 2.650 2.800 . 0 0 "[ . 1]" 1
629 1 54 LYS HB3 1 54 LYS QD 3.150 . 4.500 2.371 2.308 2.454 . 0 0 "[ . 1]" 1
630 1 54 LYS HB2 1 54 LYS QD 3.150 . 4.500 3.305 3.293 3.316 . 0 0 "[ . 1]" 1
631 1 54 LYS HB3 1 56 TYR QE 3.750 . 5.700 4.043 3.860 4.307 . 0 0 "[ . 1]" 1
632 1 54 LYS HA 1 54 LYS HB2 2.650 . 3.500 3.021 3.014 3.026 . 0 0 "[ . 1]" 1
633 1 54 LYS HB2 1 54 LYS HG2 2.650 . 3.500 2.480 2.435 2.534 . 0 0 "[ . 1]" 1
634 1 54 LYS HB2 1 56 TYR QE 3.750 . 5.700 3.118 2.836 3.392 . 0 0 "[ . 1]" 1
635 1 54 LYS HA 1 54 LYS HB3 2.650 . 3.500 2.426 2.375 2.468 . 0 0 "[ . 1]" 1
636 1 54 LYS HB3 1 54 LYS HG3 2.650 . 3.500 2.471 2.429 2.525 . 0 0 "[ . 1]" 1
637 1 54 LYS QD 1 56 TYR QE 3.400 . 5.000 4.534 4.177 4.895 . 0 0 "[ . 1]" 1
638 1 54 LYS QD 1 54 LYS HG2 2.300 . 2.800 2.354 2.321 2.424 . 0 0 "[ . 1]" 1
639 1 54 LYS HA 1 54 LYS HG3 3.150 . 4.500 3.818 3.763 3.892 . 0 0 "[ . 1]" 1
640 1 54 LYS QD 1 55 ASN H 3.150 . 4.500 3.923 3.775 4.030 . 0 0 "[ . 1]" 1
641 1 32 TRP HD1 1 55 ASN H 3.750 . 5.700 4.637 4.359 4.901 . 0 0 "[ . 1]" 1
642 1 54 LYS QE 1 55 ASN H 3.750 . 5.700 5.518 5.439 5.564 . 0 0 "[ . 1]" 1
643 1 32 TRP HE1 1 55 ASN H 3.750 . 5.700 5.592 5.247 5.869 0.169 9 0 "[ . 1]" 1
644 1 54 LYS HA 1 55 ASN H 2.650 . 3.500 3.123 3.014 3.203 . 0 0 "[ . 1]" 1
645 1 55 ASN H 1 55 ASN HA 2.650 . 3.500 2.940 2.934 2.943 . 0 0 "[ . 1]" 1
646 1 55 ASN H 1 55 ASN HB2 3.150 . 4.500 3.792 3.749 3.843 . 0 0 "[ . 1]" 1
647 1 31 ALA HA 1 55 ASN H 3.150 . 4.500 3.952 3.700 4.307 . 0 0 "[ . 1]" 1
648 1 31 ALA MB 1 55 ASN H 3.750 . 5.700 3.826 3.451 4.209 . 0 0 "[ . 1]" 1
649 1 55 ASN H 1 56 TYR HB3 3.750 . 5.700 5.655 5.489 5.834 0.134 7 0 "[ . 1]" 1
650 1 55 ASN H 1 55 ASN HB3 2.650 . 3.500 3.076 2.982 3.178 . 0 0 "[ . 1]" 1
651 1 55 ASN H 1 56 TYR QD 3.150 . 4.500 4.061 3.853 4.202 . 0 0 "[ . 1]" 1
652 1 55 ASN H 1 56 TYR H 2.650 . 3.500 2.658 2.337 2.916 . 0 0 "[ . 1]" 1
653 1 55 ASN H 1 56 TYR QE 3.750 . 5.700 4.457 4.204 4.746 . 0 0 "[ . 1]" 1
654 1 54 LYS HB2 1 55 ASN H 2.650 . 3.500 2.121 1.944 2.346 . 0 0 "[ . 1]" 1
655 1 54 LYS HB3 1 55 ASN H 2.300 . 2.800 1.850 1.713 1.961 0.087 7 0 "[ . 1]" 1
656 1 31 ALA MB 1 55 ASN HA 3.400 . 5.000 3.462 3.172 3.631 . 0 0 "[ . 1]" 1
657 1 55 ASN HA 1 55 ASN HB2 2.650 . 3.500 2.442 2.416 2.469 . 0 0 "[ . 1]" 1
658 1 55 ASN HA 1 55 ASN HB3 2.650 . 3.500 2.468 2.436 2.496 . 0 0 "[ . 1]" 1
659 1 54 LYS HB2 1 56 TYR H 3.150 . 4.500 2.979 2.598 3.303 . 0 0 "[ . 1]" 1
660 1 56 TYR H 1 57 CYS HA 3.750 . 5.700 5.441 5.335 5.559 . 0 0 "[ . 1]" 1
661 1 55 ASN HB3 1 56 TYR H 3.150 . 4.500 4.605 4.554 4.655 0.155 8 0 "[ . 1]" 1
662 1 56 TYR H 1 58 ARG HG3 3.750 . 5.700 5.485 5.156 6.591 0.891 2 1 "[ + . 1]" 1
663 1 56 TYR H 1 56 TYR QD 2.650 . 3.500 3.225 3.100 3.333 . 0 0 "[ . 1]" 1
664 1 55 ASN HB2 1 56 TYR H 3.150 . 4.500 4.483 4.453 4.511 0.011 4 0 "[ . 1]" 1
665 1 56 TYR H 1 56 TYR HA 2.650 . 3.500 2.897 2.861 2.925 . 0 0 "[ . 1]" 1
666 1 56 TYR H 1 56 TYR HB2 2.650 . 3.500 2.478 2.368 2.577 . 0 0 "[ . 1]" 1
667 1 21 SER HA 1 56 TYR H 3.750 . 5.700 5.438 5.289 5.782 0.082 5 0 "[ . 1]" 1
668 1 54 LYS H 1 56 TYR H 3.750 . 5.700 5.111 4.989 5.207 . 0 0 "[ . 1]" 1
669 1 54 LYS HG2 1 56 TYR H 3.750 . 5.700 5.186 4.824 5.511 . 0 0 "[ . 1]" 1
670 1 56 TYR H 1 57 CYS H 3.150 . 4.500 4.562 4.517 4.605 0.105 5 0 "[ . 1]" 1
671 1 54 LYS HA 1 56 TYR H 3.150 . 4.500 4.720 4.565 4.872 0.372 8 0 "[ . 1]" 1
672 1 32 TRP HD1 1 56 TYR H 2.650 . 3.500 3.334 2.988 3.783 0.283 2 0 "[ . 1]" 1
673 1 54 LYS HB3 1 56 TYR H 3.150 . 4.500 4.060 3.845 4.308 . 0 0 "[ . 1]" 1
674 1 56 TYR H 1 56 TYR HB3 2.650 . 3.500 3.634 3.600 3.682 0.182 8 0 "[ . 1]" 1
675 1 55 ASN HA 1 56 TYR H 2.650 . 3.500 2.826 2.715 2.962 . 0 0 "[ . 1]" 1
676 1 56 TYR HA 1 56 TYR QD 2.650 . 3.500 2.229 2.065 2.352 . 0 0 "[ . 1]" 1
677 1 56 TYR HA 1 56 TYR HB3 2.650 . 3.500 2.480 2.424 2.539 . 0 0 "[ . 1]" 1
678 1 56 TYR HB3 1 56 TYR QD 2.650 . 3.500 2.691 2.637 2.763 . 0 0 "[ . 1]" 1
679 1 56 TYR HB2 1 57 CYS H 3.150 . 4.500 3.997 3.877 4.107 . 0 0 "[ . 1]" 1
680 1 21 SER HA 1 57 CYS H 2.650 . 3.500 3.508 3.272 4.385 0.885 5 1 "[ + 1]" 1
681 1 22 LYS H 1 57 CYS H 3.400 . 5.000 5.028 4.711 6.043 1.043 5 1 "[ + 1]" 1
682 1 16 TYR QE 1 57 CYS H 2.650 . 3.500 4.649 4.366 5.454 1.954 2 10 [-+********] 1
683 1 20 ILE HA 1 57 CYS H 3.750 . 5.700 5.167 5.043 5.502 . 0 0 "[ . 1]" 1
684 1 20 ILE HB 1 57 CYS H 3.400 . 5.000 5.365 5.272 5.535 0.535 5 1 "[ + 1]" 1
685 1 57 CYS H 1 57 CYS HA 2.650 . 3.500 2.814 2.795 2.849 . 0 0 "[ . 1]" 1
686 1 57 CYS H 1 82 ILE MD 3.750 . 5.700 6.320 6.000 6.564 0.864 5 8 "[*** +-** *]" 1
687 1 57 CYS H 1 57 CYS QB 2.650 . 3.500 2.216 2.153 2.253 . 0 0 "[ . 1]" 1
688 1 56 TYR HB3 1 57 CYS H 2.650 . 3.500 2.955 2.830 3.089 . 0 0 "[ . 1]" 1
689 1 56 TYR HA 1 57 CYS H 2.300 . 2.800 2.206 2.165 2.237 . 0 0 "[ . 1]" 1
690 1 57 CYS H 1 58 ARG H 3.400 . 5.000 4.564 4.531 4.610 . 0 0 "[ . 1]" 1
691 1 57 CYS QB 1 82 ILE MD 3.400 . 4.500 3.963 3.598 4.262 . 0 0 "[ . 1]" 1
692 1 57 CYS QB 1 58 ARG H 3.150 . 4.500 3.675 3.529 3.737 . 0 0 "[ . 1]" 1
693 1 32 TRP HZ2 1 58 ARG H 2.650 . 3.500 2.453 2.148 2.702 . 0 0 "[ . 1]" 1
694 1 57 CYS HA 1 58 ARG H 2.650 . 3.500 2.169 2.139 2.242 . 0 0 "[ . 1]" 1
695 1 58 ARG H 1 67 TRP HA 3.400 . 5.000 5.318 5.121 5.562 0.562 6 1 "[ .+ 1]" 1
696 1 58 ARG H 1 58 ARG HA 2.650 . 3.500 2.930 2.851 2.945 . 0 0 "[ . 1]" 1
697 1 58 ARG H 1 58 ARG HD3 3.750 . 5.700 4.879 4.732 5.266 . 0 0 "[ . 1]" 1
698 1 58 ARG H 1 58 ARG HD2 3.750 . 5.700 5.538 4.840 5.656 . 0 0 "[ . 1]" 1
699 1 32 TRP HE1 1 58 ARG H 3.750 . 5.700 4.068 3.833 4.743 . 0 0 "[ . 1]" 1
700 1 58 ARG H 1 68 CYS QB 3.150 . 4.500 3.321 3.097 3.630 . 0 0 "[ . 1]" 1
701 1 58 ARG H 1 58 ARG QB 2.650 . 3.500 2.760 2.635 3.417 . 0 0 "[ . 1]" 1
702 1 58 ARG H 1 67 TRP H 2.650 . 3.500 3.831 3.646 4.164 0.664 6 1 "[ .+ 1]" 1
703 1 58 ARG H 1 58 ARG HG3 3.150 . 4.500 4.219 3.628 4.387 . 0 0 "[ . 1]" 1
704 1 58 ARG HA 1 58 ARG HD3 3.150 . 4.500 2.748 2.309 4.742 0.242 2 0 "[ . 1]" 1
705 1 58 ARG HA 1 58 ARG HD2 3.150 . 4.500 4.075 3.816 5.182 0.682 2 1 "[ + . 1]" 1
706 1 58 ARG HA 1 58 ARG HG3 3.150 . 4.500 3.843 3.776 4.099 . 0 0 "[ . 1]" 1
707 1 58 ARG QB 1 58 ARG HG3 2.650 . 3.500 2.153 2.143 2.162 . 0 0 "[ . 1]" 1
708 1 58 ARG HD3 1 58 ARG HG2 2.650 . 3.500 2.890 2.830 3.014 . 0 0 "[ . 1]" 1
709 1 58 ARG HA 1 59 ASN H 2.650 . 3.500 2.461 2.391 2.600 . 0 0 "[ . 1]" 1
710 1 58 ARG QB 1 59 ASN H 2.650 . 3.500 2.291 2.082 2.414 . 0 0 "[ . 1]" 1
711 1 59 ASN H 1 59 ASN QB 2.650 . 3.500 2.636 2.513 2.763 . 0 0 "[ . 1]" 1
712 1 58 ARG HD3 1 59 ASN H 3.750 . 5.700 3.490 3.103 5.057 . 0 0 "[ . 1]" 1
713 1 59 ASN H 1 59 ASN HA 2.650 . 3.500 2.933 2.907 2.945 . 0 0 "[ . 1]" 1
714 1 59 ASN H 1 60 PRO HA 3.750 . 5.700 4.519 4.402 4.767 . 0 0 "[ . 1]" 1
715 1 59 ASN H 1 66 PRO HA 3.150 . 4.500 4.600 4.144 4.919 0.419 9 0 "[ . 1]" 1
716 1 59 ASN H 1 60 PRO HD3 3.150 . 4.500 3.353 3.154 3.522 . 0 0 "[ . 1]" 1
717 1 59 ASN H 1 60 PRO HD2 3.150 . 4.500 4.517 4.379 4.728 0.228 2 0 "[ . 1]" 1
718 1 60 PRO HA 1 60 PRO HG2 3.150 . 4.500 3.943 3.881 4.084 . 0 0 "[ . 1]" 1
719 1 60 PRO HA 1 60 PRO HB3 2.650 . 3.500 2.312 2.282 2.335 . 0 0 "[ . 1]" 1
720 1 60 PRO HD3 1 60 PRO HG2 2.650 . 3.500 2.904 2.775 2.951 . 0 0 "[ . 1]" 1
721 1 60 PRO HD3 1 61 ASP H 2.650 . 3.500 3.732 3.433 3.877 0.377 6 0 "[ . 1]" 1
722 1 60 PRO HG2 1 61 ASP H 2.650 . 3.500 3.457 3.097 3.815 0.315 4 0 "[ . 1]" 1
723 1 61 ASP H 1 67 TRP HE1 3.150 . 4.500 3.505 3.107 3.928 . 0 0 "[ . 1]" 1
724 1 61 ASP H 1 63 ASP H 3.150 . 4.500 3.640 3.393 3.859 . 0 0 "[ . 1]" 1
725 1 61 ASP H 1 67 TRP HZ2 3.150 . 4.500 4.120 3.481 4.973 0.473 2 0 "[ . 1]" 1
726 1 61 ASP H 1 61 ASP QB 2.650 . 3.500 2.388 2.224 2.490 . 0 0 "[ . 1]" 1
727 1 61 ASP H 1 61 ASP HA 2.650 . 3.500 2.938 2.913 2.953 . 0 0 "[ . 1]" 1
728 1 42 TYR QE 1 61 ASP H 3.150 . 4.500 6.152 4.702 7.854 3.354 6 9 "[*-* *+****]" 1
729 1 60 PRO HG3 1 61 ASP H 3.150 . 4.500 4.511 4.377 4.677 0.177 6 0 "[ . 1]" 1
730 1 59 ASN HA 1 61 ASP H 3.150 . 4.500 3.234 3.082 3.360 . 0 0 "[ . 1]" 1
731 1 60 PRO HA 1 61 ASP H 2.650 . 3.500 3.346 3.281 3.449 . 0 0 "[ . 1]" 1
732 1 60 PRO HD2 1 61 ASP H 3.150 . 4.500 2.470 2.165 2.696 . 0 0 "[ . 1]" 1
733 1 61 ASP HA 1 61 ASP QB 2.650 . 3.500 2.403 2.340 2.523 . 0 0 "[ . 1]" 1
734 1 42 TYR QE 1 61 ASP QB 3.150 . 4.500 4.724 3.682 5.868 1.368 6 4 "[ * .+ *-1]" 1
735 1 62 ARG H 1 62 ARG QG 2.650 . 3.500 2.825 2.609 2.979 . 0 0 "[ . 1]" 1
736 1 14 GLU QG 1 62 ARG H 3.150 . 4.500 3.795 3.240 5.933 1.433 1 1 "[+ . 1]" 1
737 1 62 ARG H 1 63 ASP QB 3.750 . 5.700 4.434 4.330 4.734 . 0 0 "[ . 1]" 1
738 1 62 ARG H 1 62 ARG HB2 3.150 . 4.500 3.689 3.545 3.741 . 0 0 "[ . 1]" 1
739 1 62 ARG H 1 62 ARG HB3 3.150 . 4.500 4.069 3.988 4.128 . 0 0 "[ . 1]" 1
740 1 62 ARG H 1 62 ARG HA 2.300 . 2.800 2.271 2.260 2.277 . 0 0 "[ . 1]" 1
741 1 62 ARG H 1 63 ASP H 2.650 . 3.500 2.507 2.390 2.726 . 0 0 "[ . 1]" 1
742 1 61 ASP H 1 62 ARG H 2.650 . 3.500 2.084 1.967 2.179 . 0 0 "[ . 1]" 1
743 1 61 ASP QB 1 62 ARG H 3.150 . 4.500 3.110 2.911 3.425 . 0 0 "[ . 1]" 1
744 1 61 ASP HA 1 62 ARG H 2.650 . 3.500 3.381 3.242 3.447 . 0 0 "[ . 1]" 1
745 1 62 ARG HA 1 62 ARG HB2 2.650 . 3.500 3.023 3.016 3.030 . 0 0 "[ . 1]" 1
746 1 62 ARG HA 1 62 ARG QG 2.650 . 3.500 2.531 2.362 2.621 . 0 0 "[ . 1]" 1
747 1 62 ARG HB3 1 62 ARG QG 2.300 . 2.800 2.342 2.207 2.487 . 0 0 "[ . 1]" 1
748 1 62 ARG HB2 1 62 ARG QD 3.150 . 4.500 2.897 2.595 3.256 . 0 0 "[ . 1]" 1
749 1 63 ASP H 1 63 ASP HA 2.650 . 3.500 2.880 2.857 2.900 . 0 0 "[ . 1]" 1
750 1 59 ASN HA 1 63 ASP H 3.750 . 5.700 4.930 4.778 5.146 . 0 0 "[ . 1]" 1
751 1 62 ARG HA 1 63 ASP H 2.650 . 3.500 2.842 2.782 2.953 . 0 0 "[ . 1]" 1
752 1 63 ASP H 1 67 TRP HE1 3.150 . 4.500 4.076 3.676 4.648 0.148 3 0 "[ . 1]" 1
753 1 62 ARG HB3 1 63 ASP H 3.150 . 4.500 4.484 4.430 4.523 0.023 6 0 "[ . 1]" 1
754 1 63 ASP H 1 64 LEU H 3.150 . 4.500 4.418 4.393 4.438 . 0 0 "[ . 1]" 1
755 1 63 ASP H 1 63 ASP QB 2.650 . 3.500 2.461 2.383 2.590 . 0 0 "[ . 1]" 1
756 1 63 ASP HA 1 63 ASP QB 2.650 . 3.500 2.174 2.168 2.178 . 0 0 "[ . 1]" 1
757 1 63 ASP QB 1 79 TYR QE 3.150 . 4.500 4.304 3.951 5.222 0.722 8 1 "[ . + 1]" 1
758 1 63 ASP QB 1 64 LEU H 3.150 . 4.500 2.049 1.930 2.137 . 0 0 "[ . 1]" 1
759 1 64 LEU H 1 64 LEU HG 3.150 . 4.500 2.553 1.955 3.898 . 0 0 "[ . 1]" 1
760 1 64 LEU H 1 64 LEU MD2 3.150 . 4.500 3.581 2.880 4.026 . 0 0 "[ . 1]" 1
761 1 63 ASP HA 1 64 LEU H 3.150 . 4.500 2.709 2.664 2.750 . 0 0 "[ . 1]" 1
762 1 64 LEU H 1 64 LEU HB2 2.650 . 3.500 2.479 2.162 2.819 . 0 0 "[ . 1]" 1
763 1 64 LEU H 1 64 LEU HA 2.650 . 3.500 2.749 2.732 2.771 . 0 0 "[ . 1]" 1
764 1 64 LEU H 1 79 TYR QE 2.650 . 3.500 4.717 4.311 5.157 1.657 9 10 [*-******+*] 1
765 1 64 LEU H 1 65 ARG H 2.650 . 3.500 2.956 2.905 3.039 . 0 0 "[ . 1]" 1
766 1 64 LEU H 1 65 ARG HA 3.750 . 5.700 5.349 5.313 5.383 . 0 0 "[ . 1]" 1
767 1 64 LEU HA 1 64 LEU HG 3.150 . 4.500 2.739 2.315 3.215 . 0 0 "[ . 1]" 1
768 1 64 LEU HA 1 64 LEU HB3 2.650 . 3.500 2.506 2.338 2.698 . 0 0 "[ . 1]" 1
769 1 64 LEU HA 1 64 LEU MD2 3.150 . 4.500 2.722 2.023 3.717 . 0 0 "[ . 1]" 1
770 1 64 LEU HB3 1 64 LEU HG 2.650 . 3.500 2.860 2.522 3.020 . 0 0 "[ . 1]" 1
771 1 64 LEU HB3 1 64 LEU MD2 2.650 . 3.500 2.244 2.147 2.380 . 0 0 "[ . 1]" 1
772 1 64 LEU MD1 1 79 TYR QE 3.750 . 5.700 4.234 3.240 5.598 . 0 0 "[ . 1]" 1
773 1 64 LEU HB2 1 64 LEU MD1 2.650 . 3.500 2.249 2.152 2.363 . 0 0 "[ . 1]" 1
774 1 65 ARG H 1 66 PRO HA 3.750 . 5.700 5.015 4.966 5.062 . 0 0 "[ . 1]" 1
775 1 65 ARG H 1 65 ARG HB2 3.150 . 4.500 3.959 3.885 3.994 . 0 0 "[ . 1]" 1
776 1 65 ARG H 1 65 ARG HB3 2.650 . 3.500 3.575 3.466 3.642 0.142 8 0 "[ . 1]" 1
777 1 65 ARG H 1 65 ARG HA 2.650 . 3.500 2.878 2.860 2.902 . 0 0 "[ . 1]" 1
778 1 65 ARG H 1 79 TYR QE 2.650 . 3.500 3.607 2.659 4.029 0.529 10 3 "[ * . -+]" 1
779 1 64 LEU HA 1 65 ARG H 2.650 . 3.500 3.589 3.570 3.603 0.103 1 0 "[ . 1]" 1
780 1 64 LEU MD1 1 65 ARG H 3.750 . 5.700 4.237 3.366 4.545 . 0 0 "[ . 1]" 1
781 1 63 ASP HA 1 65 ARG H 3.750 . 5.700 4.795 4.724 4.917 . 0 0 "[ . 1]" 1
782 1 63 ASP QB 1 65 ARG H 3.150 . 4.500 3.745 3.624 3.885 . 0 0 "[ . 1]" 1
783 1 64 LEU HB2 1 65 ARG H 2.650 . 3.500 2.681 2.484 2.948 . 0 0 "[ . 1]" 1
784 1 63 ASP H 1 65 ARG H 3.750 . 5.700 4.762 4.631 4.881 . 0 0 "[ . 1]" 1
785 1 65 ARG HA 1 66 PRO HD3 2.650 . 3.500 2.046 1.926 2.474 . 0 0 "[ . 1]" 1
786 1 65 ARG HA 1 65 ARG HB3 2.650 . 3.500 2.371 2.333 2.428 . 0 0 "[ . 1]" 1
787 1 65 ARG HA 1 65 ARG HB2 2.650 . 3.500 2.522 2.465 2.574 . 0 0 "[ . 1]" 1
788 1 65 ARG HA 1 65 ARG HG2 3.150 . 4.500 3.691 3.548 3.780 . 0 0 "[ . 1]" 1
789 1 65 ARG HA 1 66 PRO HD2 2.650 . 3.500 2.718 2.208 2.911 . 0 0 "[ . 1]" 1
790 1 65 ARG HB3 1 65 ARG HD2 3.150 . 4.500 3.110 2.114 3.772 . 0 0 "[ . 1]" 1
791 1 66 PRO HB2 1 80 CYS QB 3.150 . 4.500 3.046 2.667 3.362 . 0 0 "[ . 1]" 1
792 1 66 PRO HA 1 66 PRO HG2 3.150 . 4.500 3.913 3.883 3.955 . 0 0 "[ . 1]" 1
793 1 59 ASN QB 1 66 PRO HG2 3.150 . 4.500 4.054 3.679 4.755 0.255 10 0 "[ . 1]" 1
794 1 66 PRO HA 1 67 TRP H 2.300 . 2.800 2.163 2.113 2.205 . 0 0 "[ . 1]" 1
795 1 32 TRP HZ2 1 67 TRP H 3.150 . 4.500 5.182 4.926 5.641 1.141 6 8 "[** **+*- *]" 1
796 1 67 TRP H 1 79 TYR HA 3.400 . 5.000 5.081 4.585 5.645 0.645 8 1 "[ . + 1]" 1
797 1 67 TRP H 1 80 CYS QB 3.400 . 5.000 4.780 4.446 5.009 0.009 3 0 "[ . 1]" 1
798 1 66 PRO HD2 1 67 TRP H 3.750 . 5.700 5.538 5.431 5.739 0.039 10 0 "[ . 1]" 1
799 1 66 PRO HG3 1 67 TRP H 3.150 . 4.500 4.913 4.805 5.442 0.942 10 1 "[ . +]" 1
800 1 67 TRP H 1 68 CYS H 3.150 . 4.500 4.376 4.337 4.406 . 0 0 "[ . 1]" 1
801 1 67 TRP H 1 67 TRP HD1 2.650 . 3.500 2.866 2.643 3.025 . 0 0 "[ . 1]" 1
802 1 66 PRO HB3 1 67 TRP H 2.650 . 3.500 3.255 3.119 3.629 0.129 10 0 "[ . 1]" 1
803 1 57 CYS QB 1 67 TRP H 3.400 . 5.000 5.256 5.128 5.555 0.555 2 1 "[ + . 1]" 1
804 1 67 TRP H 1 67 TRP HB3 2.900 . 4.000 3.409 3.228 3.531 . 0 0 "[ . 1]" 1
805 1 66 PRO HB2 1 67 TRP H 2.650 . 3.500 3.621 3.212 3.846 0.346 2 0 "[ . 1]" 1
806 1 67 TRP H 1 67 TRP HE1 3.750 . 5.700 4.330 4.218 4.419 . 0 0 "[ . 1]" 1
807 1 67 TRP H 1 67 TRP HA 2.300 . 2.800 2.922 2.909 2.936 0.136 6 0 "[ . 1]" 1
808 1 68 CYS H 1 78 GLU HB3 3.750 . 5.700 5.311 4.885 5.901 0.201 10 0 "[ . 1]" 1
809 1 67 TRP HA 1 67 TRP HB3 2.650 . 3.500 2.382 2.325 2.435 . 0 0 "[ . 1]" 1
810 1 67 TRP HA 1 79 TYR QD 3.150 . 4.500 4.235 3.468 5.289 0.789 8 1 "[ . + 1]" 1
811 1 67 TRP HA 1 67 TRP HD1 3.750 . 5.700 4.189 4.035 4.323 . 0 0 "[ . 1]" 1
812 1 67 TRP HA 1 79 TYR HA 2.300 . 2.800 2.663 2.135 3.192 0.392 8 0 "[ . 1]" 1
813 1 59 ASN HA 1 67 TRP HE1 2.650 . 3.500 3.698 3.200 4.220 0.720 4 2 "[ - +. 1]" 1
814 1 60 PRO HD3 1 67 TRP HE1 3.150 . 4.500 4.659 3.738 5.343 0.843 1 3 "[+ -. *]" 1
815 1 60 PRO HD2 1 67 TRP HE1 3.150 . 4.500 3.138 2.062 3.845 . 0 0 "[ . 1]" 1
816 1 60 PRO HG2 1 67 TRP HE1 3.750 . 5.700 4.705 3.327 5.598 . 0 0 "[ . 1]" 1
817 1 60 PRO HG3 1 67 TRP HE1 3.750 . 5.700 5.754 4.431 6.635 0.935 4 3 "[* +. -1]" 1
818 1 32 TRP HH2 1 67 TRP HE1 3.750 . 5.700 5.981 5.276 6.649 0.949 1 4 "[+ *- *]" 1
819 1 63 ASP QB 1 67 TRP HE1 2.650 . 3.500 3.741 3.430 4.400 0.900 3 1 "[ + . 1]" 1
820 1 32 TRP HZ3 1 67 TRP HZ3 2.650 . 3.500 3.698 3.041 4.082 0.582 5 2 "[ - + 1]" 1
821 1 67 TRP HZ3 1 69 PHE QE 3.750 . 5.700 2.774 2.077 3.180 . 0 0 "[ . 1]" 1
822 1 58 ARG H 1 68 CYS H 3.750 . 5.700 5.621 5.439 5.871 0.171 2 0 "[ . 1]" 1
823 1 67 TRP HA 1 68 CYS H 2.300 . 2.800 2.573 2.489 2.673 . 0 0 "[ . 1]" 1
824 1 67 TRP HZ3 1 68 CYS H 3.400 . 5.000 5.277 4.843 5.717 0.717 1 2 "[+ - 1]" 1
825 1 68 CYS H 1 80 CYS H 3.750 . 5.700 5.279 5.075 5.381 . 0 0 "[ . 1]" 1
826 1 67 TRP HE3 1 68 CYS H 3.150 . 4.500 2.971 2.580 3.360 . 0 0 "[ . 1]" 1
827 1 68 CYS H 1 77 TRP HE3 3.150 . 4.500 3.868 3.209 4.587 0.087 9 0 "[ . 1]" 1
828 1 68 CYS H 1 78 GLU H 2.650 . 3.500 3.036 2.862 3.420 . 0 0 "[ . 1]" 1
829 1 68 CYS H 1 69 PHE H 3.150 . 4.500 4.315 4.288 4.338 . 0 0 "[ . 1]" 1
830 1 68 CYS H 1 78 GLU HA 3.750 . 5.700 4.987 4.700 5.236 . 0 0 "[ . 1]" 1
831 1 23 THR MG 1 68 CYS H 3.400 . 5.000 3.496 3.165 3.890 . 0 0 "[ . 1]" 1
832 1 68 CYS H 1 79 TYR HA 3.150 . 4.500 3.945 3.606 4.234 . 0 0 "[ . 1]" 1
833 1 68 CYS H 1 68 CYS QB 2.650 . 3.500 3.360 3.323 3.388 . 0 0 "[ . 1]" 1
834 1 68 CYS H 1 77 TRP HB3 3.750 . 5.700 4.940 4.581 5.350 . 0 0 "[ . 1]" 1
835 1 68 CYS H 1 68 CYS HA 2.300 . 2.800 2.861 2.849 2.871 0.071 5 0 "[ . 1]" 1
836 1 68 CYS H 1 78 GLU HB2 3.750 . 5.700 4.954 4.569 5.216 . 0 0 "[ . 1]" 1
837 1 68 CYS HA 1 68 CYS QB 2.650 . 3.500 2.168 2.158 2.180 . 0 0 "[ . 1]" 1
838 1 32 TRP HZ2 1 68 CYS HA 3.150 . 4.500 3.127 2.844 3.606 . 0 0 "[ . 1]" 1
839 1 29 CYS QB 1 68 CYS QB 3.150 . 4.500 2.907 2.656 3.288 . 0 0 "[ . 1]" 1
840 1 69 PHE H 1 69 PHE HA 2.650 . 3.500 2.871 2.857 2.883 . 0 0 "[ . 1]" 1
841 1 32 TRP HH2 1 69 PHE H 3.150 . 4.500 4.045 3.462 4.534 0.034 8 0 "[ . 1]" 1
842 1 30 GLN HB3 1 69 PHE H 3.750 . 5.700 4.489 4.263 4.786 . 0 0 "[ . 1]" 1
843 1 30 GLN H 1 69 PHE H 3.150 . 4.500 4.111 3.882 4.322 . 0 0 "[ . 1]" 1
844 1 29 CYS QB 1 69 PHE H 3.150 . 4.500 5.008 4.792 5.246 0.746 3 6 "[- + . ****]" 1
845 1 69 PHE H 1 78 GLU H 3.750 . 5.700 5.131 4.927 5.477 . 0 0 "[ . 1]" 1
846 1 69 PHE H 1 69 PHE QD 3.150 . 4.500 2.706 2.459 3.180 . 0 0 "[ . 1]" 1
847 1 68 CYS QB 1 69 PHE H 3.150 . 3.500 2.625 2.500 2.781 . 0 0 "[ . 1]" 1
848 1 69 PHE H 1 69 PHE HB2 2.650 . 3.500 2.297 2.186 2.367 . 0 0 "[ . 1]" 1
849 1 69 PHE H 1 69 PHE HB3 2.650 . 3.500 3.555 3.482 3.597 0.097 7 0 "[ . 1]" 1
850 1 67 TRP HZ3 1 69 PHE H 3.400 . 5.000 4.571 4.149 5.277 0.277 1 0 "[ . 1]" 1
851 1 68 CYS HA 1 69 PHE H 2.650 . 3.500 2.318 2.260 2.369 . 0 0 "[ . 1]" 1
852 1 32 TRP HZ2 1 69 PHE H 3.150 . 4.500 4.368 3.966 4.834 0.334 2 0 "[ . 1]" 1
853 1 69 PHE HA 1 77 TRP HA 2.300 . 2.800 2.143 1.998 2.457 . 0 0 "[ . 1]" 1
854 1 69 PHE HA 1 69 PHE HB3 2.650 . 3.500 2.591 2.536 2.682 . 0 0 "[ . 1]" 1
855 1 40 HIS HB2 1 69 PHE QE 3.150 . 4.500 3.597 3.451 3.955 . 0 0 "[ . 1]" 1
856 1 70 THR H 1 77 TRP H 3.150 . 4.500 4.389 4.101 4.721 0.221 1 0 "[ . 1]" 1
857 1 70 THR H 1 76 ARG HA 3.150 . 4.500 4.076 3.841 4.376 . 0 0 "[ . 1]" 1
858 1 70 THR H 1 70 THR HG1 2.650 . 3.500 2.401 2.342 2.472 . 0 0 "[ . 1]" 1
859 1 30 GLN HB2 1 70 THR H 3.750 . 5.700 4.963 4.556 5.579 . 0 0 "[ . 1]" 1
860 1 70 THR H 1 78 GLU H 3.150 . 4.500 4.249 3.996 4.448 . 0 0 "[ . 1]" 1
861 1 69 PHE HB3 1 70 THR H 3.150 . 4.500 2.984 2.795 3.216 . 0 0 "[ . 1]" 1
862 1 69 PHE HA 1 70 THR H 2.300 . 2.800 2.227 2.171 2.271 . 0 0 "[ . 1]" 1
863 1 30 GLN HB3 1 70 THR H 3.400 . 5.000 4.731 4.328 5.130 0.130 9 0 "[ . 1]" 1
864 1 69 PHE HB2 1 70 THR H 3.150 . 4.500 4.131 3.977 4.314 . 0 0 "[ . 1]" 1
865 1 70 THR H 1 70 THR HB 2.650 . 3.500 3.457 3.358 3.559 0.059 2 0 "[ . 1]" 1
866 1 29 CYS HA 1 70 THR H 3.750 . 5.700 4.867 4.658 5.108 . 0 0 "[ . 1]" 1
867 1 30 GLN H 1 70 THR H 3.750 . 5.700 4.484 4.258 4.703 . 0 0 "[ . 1]" 1
868 1 69 PHE QD 1 70 THR H 3.150 . 4.500 3.557 3.404 3.741 . 0 0 "[ . 1]" 1
869 1 70 THR H 1 70 THR MG 2.650 . 3.500 3.220 3.046 3.422 . 0 0 "[ . 1]" 1
870 1 70 THR HA 1 70 THR HB 2.650 . 3.500 2.711 2.638 2.779 . 0 0 "[ . 1]" 1
871 1 70 THR HA 1 70 THR MG 3.150 . 4.500 2.172 2.148 2.202 . 0 0 "[ . 1]" 1
872 1 30 GLN HB3 1 70 THR HA 3.150 . 4.500 4.543 4.293 4.839 0.339 7 0 "[ . 1]" 1
873 1 70 THR MG 1 75 LYS HG2 3.150 . 4.500 3.766 3.152 4.515 0.015 4 0 "[ . 1]" 1
874 1 27 LEU HB3 1 70 THR MG 3.400 . 5.000 2.368 2.186 2.520 . 0 0 "[ . 1]" 1
875 1 27 LEU HB2 1 70 THR MG 3.150 . 4.500 2.250 2.050 2.506 . 0 0 "[ . 1]" 1
876 1 70 THR HB 1 71 THR H 3.150 . 4.500 2.622 2.235 3.044 . 0 0 "[ . 1]" 1
877 1 27 LEU HB3 1 71 THR H 3.150 . 4.500 4.251 3.935 4.614 0.114 1 0 "[ . 1]" 1
878 1 29 CYS HA 1 71 THR H 2.650 . 3.500 3.961 3.665 4.163 0.663 10 4 "[ .** -+]" 1
879 1 70 THR MG 1 71 THR H 3.150 . 4.500 3.022 2.679 3.407 . 0 0 "[ . 1]" 1
880 1 70 THR HG1 1 71 THR H 3.750 . 5.700 4.395 4.182 4.568 . 0 0 "[ . 1]" 1
881 1 70 THR HA 1 71 THR H 2.650 . 3.500 2.396 2.241 2.593 . 0 0 "[ . 1]" 1
882 1 30 GLN H 1 71 THR H 3.150 . 4.500 4.288 4.047 4.579 0.079 6 0 "[ . 1]" 1
883 1 71 THR H 1 72 ASP H 2.650 . 3.500 2.582 2.102 3.483 . 0 0 "[ . 1]" 1
884 1 71 THR H 1 71 THR HB 2.650 . 3.500 3.337 2.883 3.543 0.043 3 0 "[ . 1]" 1
885 1 71 THR H 1 71 THR HA 2.650 . 3.500 2.915 2.876 2.952 . 0 0 "[ . 1]" 1
886 1 71 THR H 1 72 ASP QB 3.750 . 5.700 4.106 3.831 4.328 . 0 0 "[ . 1]" 1
887 1 71 THR H 1 71 THR MG 2.650 . 3.500 3.306 2.921 3.862 0.362 7 0 "[ . 1]" 1
888 1 37 PRO QG 1 71 THR HA 3.150 . 4.500 7.846 7.278 8.539 4.039 8 10 [-******+**] 1
889 1 37 PRO QD 1 71 THR HA 2.650 . 3.500 6.892 6.273 7.273 3.773 5 10 [-***+*****] 1
890 1 71 THR HA 1 71 THR MG 3.150 . 4.500 2.177 2.126 2.216 . 0 0 "[ . 1]" 1
891 1 71 THR HA 1 71 THR HB 2.650 . 3.500 2.771 2.636 2.982 . 0 0 "[ . 1]" 1
892 1 30 GLN HA 1 71 THR MG 3.150 . 4.500 2.828 2.242 3.639 . 0 0 "[ . 1]" 1
893 1 28 GLU QG 1 71 THR MG 3.150 . 4.500 5.254 4.657 6.034 1.534 2 7 "[*+- *** *]" 1
894 1 28 GLU HB2 1 71 THR MG 3.150 . 4.500 3.950 3.559 4.732 0.232 2 0 "[ . 1]" 1
895 1 72 ASP H 1 75 LYS H 3.400 . 5.000 4.440 4.167 4.762 . 0 0 "[ . 1]" 1
896 1 72 ASP H 1 72 ASP QB 2.300 . 2.800 2.330 2.079 2.548 . 0 0 "[ . 1]" 1
897 1 72 ASP H 1 72 ASP HA 2.650 . 3.500 2.910 2.818 2.947 . 0 0 "[ . 1]" 1
898 1 71 THR HA 1 72 ASP H 2.650 . 3.500 3.092 2.649 3.396 . 0 0 "[ . 1]" 1
899 1 70 THR HB 1 72 ASP H 2.650 . 3.500 2.236 1.928 3.202 . 0 0 "[ . 1]" 1
900 1 72 ASP H 1 75 LYS HB2 3.750 . 5.700 5.133 4.237 5.675 . 0 0 "[ . 1]" 1
901 1 71 THR HB 1 72 ASP H 3.150 . 4.500 4.052 3.741 4.302 . 0 0 "[ . 1]" 1
902 1 27 LEU HB3 1 72 ASP H 3.750 . 5.700 4.940 4.406 5.971 0.271 2 0 "[ . 1]" 1
903 1 38 HIS HE1 1 72 ASP H 3.750 . 5.700 4.100 3.399 5.865 0.165 9 0 "[ . 1]" 1
904 1 70 THR HG1 1 72 ASP H 3.150 . 4.500 3.383 3.098 3.865 . 0 0 "[ . 1]" 1
905 1 72 ASP H 1 75 LYS HB3 3.150 . 4.500 4.327 3.782 4.689 0.189 1 0 "[ . 1]" 1
906 1 70 THR HA 1 72 ASP H 3.150 . 4.500 4.006 3.781 4.393 . 0 0 "[ . 1]" 1
907 1 72 ASP HA 1 73 PRO HD2 2.650 . 3.500 2.585 2.441 2.743 . 0 0 "[ . 1]" 1
908 1 72 ASP HA 1 73 PRO HD3 2.650 . 3.500 1.905 1.861 1.979 . 0 0 "[ . 1]" 1
909 1 72 ASP HA 1 72 ASP QB 2.650 . 3.500 2.473 2.366 2.544 . 0 0 "[ . 1]" 1
910 1 72 ASP HA 1 73 PRO QG 3.150 . 4.500 3.762 3.727 3.811 . 0 0 "[ . 1]" 1
911 1 73 PRO HA 1 73 PRO QG 3.150 . 4.500 2.980 2.885 3.061 . 0 0 "[ . 1]" 1
912 1 73 PRO HA 1 73 PRO HB3 2.650 . 3.500 2.286 2.275 2.298 . 0 0 "[ . 1]" 1
913 1 73 PRO HD2 1 73 PRO QG 2.650 . 3.500 2.240 2.232 2.249 . 0 0 "[ . 1]" 1
914 1 73 PRO HD3 1 73 PRO QG 2.650 . 3.500 2.176 2.172 2.180 . 0 0 "[ . 1]" 1
915 1 37 PRO QB 1 73 PRO QG 3.750 . 5.700 7.161 5.935 8.150 2.450 9 9 "[ *****-*+*]" 1
916 1 73 PRO HB2 1 73 PRO QG 2.300 . 2.800 2.231 2.222 2.243 . 0 0 "[ . 1]" 1
917 1 73 PRO HB3 1 73 PRO QG 2.300 . 2.800 2.162 2.159 2.164 . 0 0 "[ . 1]" 1
918 1 73 PRO HB3 1 74 ASN H 3.150 . 4.500 4.297 4.194 4.411 . 0 0 "[ . 1]" 1
919 1 74 ASN H 1 75 LYS H 2.650 . 3.500 2.374 2.235 2.486 . 0 0 "[ . 1]" 1
920 1 73 PRO HD3 1 74 ASN H 3.150 . 4.500 3.946 3.779 4.122 . 0 0 "[ . 1]" 1
921 1 73 PRO HA 1 74 ASN H 2.650 . 3.500 3.466 3.418 3.500 . 0 0 "[ . 1]" 1
922 1 73 PRO HB2 1 74 ASN H 2.650 . 3.500 3.146 2.977 3.323 . 0 0 "[ . 1]" 1
923 1 74 ASN H 1 74 ASN HB2 2.650 . 3.500 3.658 3.551 3.730 0.230 9 0 "[ . 1]" 1
924 1 74 ASN H 1 75 LYS HA 3.750 . 5.700 5.013 4.841 5.131 . 0 0 "[ . 1]" 1
925 1 74 ASN H 1 75 LYS HB2 3.750 . 5.700 4.322 3.861 4.495 . 0 0 "[ . 1]" 1
926 1 74 ASN H 1 74 ASN HA 2.650 . 3.500 2.912 2.873 2.940 . 0 0 "[ . 1]" 1
927 1 74 ASN H 1 74 ASN HB3 2.300 . 2.800 2.761 2.273 3.123 0.323 10 0 "[ . 1]" 1
928 1 74 ASN HA 1 74 ASN HB3 2.650 . 3.500 2.477 2.382 2.682 . 0 0 "[ . 1]" 1
929 1 74 ASN HA 1 74 ASN HB2 2.650 . 3.500 2.435 2.288 2.531 . 0 0 "[ . 1]" 1
930 1 74 ASN HB2 1 75 LYS H 2.900 . 4.000 4.289 4.123 4.482 0.482 5 0 "[ . 1]" 1
931 1 75 LYS H 1 75 LYS HB3 2.650 . 3.500 3.196 3.052 3.367 . 0 0 "[ . 1]" 1
932 1 73 PRO HA 1 75 LYS H 3.150 . 4.500 3.893 3.757 4.043 . 0 0 "[ . 1]" 1
933 1 74 ASN HA 1 75 LYS H 2.650 . 3.500 3.328 3.238 3.411 . 0 0 "[ . 1]" 1
934 1 75 LYS H 1 75 LYS HA 2.650 . 3.500 2.927 2.901 2.941 . 0 0 "[ . 1]" 1
935 1 72 ASP QB 1 75 LYS H 3.150 . 4.500 2.801 2.482 3.089 . 0 0 "[ . 1]" 1
936 1 75 LYS H 1 75 LYS HB2 2.650 . 3.500 2.840 2.617 3.146 . 0 0 "[ . 1]" 1
937 1 70 THR HG1 1 75 LYS H 3.150 . 4.500 4.159 3.795 4.416 . 0 0 "[ . 1]" 1
938 1 70 THR MG 1 75 LYS H 3.150 . 4.500 5.654 5.220 6.215 1.715 2 10 [-+********] 1
939 1 38 HIS HE1 1 75 LYS H 3.750 . 5.700 5.609 4.567 6.377 0.677 2 1 "[ + . 1]" 1
940 1 70 THR MG 1 75 LYS HA 3.750 . 5.700 5.718 5.348 6.201 0.501 4 1 "[ +. 1]" 1
941 1 75 LYS HA 1 75 LYS HB2 2.650 . 3.500 2.729 2.599 2.850 . 0 0 "[ . 1]" 1
942 1 75 LYS HA 1 75 LYS HB3 2.650 . 3.500 2.939 2.852 3.006 . 0 0 "[ . 1]" 1
943 1 75 LYS QE 1 75 LYS HG3 3.150 . 4.500 2.994 2.825 3.309 . 0 0 "[ . 1]" 1
944 1 75 LYS HA 1 75 LYS HG3 3.150 . 4.500 2.577 2.379 2.777 . 0 0 "[ . 1]" 1
945 1 75 LYS HB2 1 75 LYS HG3 2.650 . 3.500 3.009 3.003 3.013 . 0 0 "[ . 1]" 1
946 1 75 LYS QD 1 75 LYS HG3 2.650 . 3.500 2.294 2.150 2.395 . 0 0 "[ . 1]" 1
947 1 75 LYS HB3 1 75 LYS HG3 2.650 . 3.500 2.499 2.461 2.535 . 0 0 "[ . 1]" 1
948 1 75 LYS QD 1 75 LYS HG2 2.300 . 2.800 2.391 2.304 2.525 . 0 0 "[ . 1]" 1
949 1 75 LYS QE 1 78 GLU QG 3.150 . 4.500 3.079 1.964 3.617 . 0 0 "[ . 1]" 1
950 1 76 ARG H 1 76 ARG QD 3.400 . 5.000 4.131 3.673 4.349 . 0 0 "[ . 1]" 1
951 1 75 LYS HA 1 76 ARG H 2.650 . 3.500 2.163 2.131 2.306 . 0 0 "[ . 1]" 1
952 1 75 LYS QD 1 76 ARG H 3.400 . 5.000 3.678 3.356 4.166 . 0 0 "[ . 1]" 1
953 1 75 LYS H 1 76 ARG H 3.150 . 4.500 4.099 3.814 4.441 . 0 0 "[ . 1]" 1
954 1 76 ARG H 1 76 ARG QB 2.300 . 2.800 2.457 2.279 2.627 . 0 0 "[ . 1]" 1
955 1 75 LYS HG3 1 76 ARG H 3.150 . 4.500 3.257 2.551 3.565 . 0 0 "[ . 1]" 1
956 1 76 ARG H 1 77 TRP HD1 3.750 . 5.700 5.035 4.483 5.659 . 0 0 "[ . 1]" 1
957 1 76 ARG HA 1 76 ARG QB 2.650 . 3.500 2.361 2.272 2.438 . 0 0 "[ . 1]" 1
958 1 69 PHE QD 1 76 ARG QG 3.150 . 4.500 5.058 4.302 5.802 1.302 10 4 "[* . * -+]" 1
959 1 76 ARG QB 1 76 ARG QD 3.150 . 3.500 2.180 2.054 2.391 . 0 0 "[ . 1]" 1
960 1 75 LYS HG3 1 77 TRP H 3.400 . 5.000 3.491 2.625 4.270 . 0 0 "[ . 1]" 1
961 1 76 ARG HA 1 77 TRP H 2.650 . 3.500 3.557 3.529 3.580 0.080 7 0 "[ . 1]" 1
962 1 76 ARG QD 1 77 TRP H 3.750 . 5.700 4.930 4.363 5.152 . 0 0 "[ . 1]" 1
963 1 69 PHE QD 1 77 TRP H 3.750 . 5.700 4.644 4.119 5.125 . 0 0 "[ . 1]" 1
964 1 77 TRP H 1 77 TRP HE1 3.750 . 5.700 4.716 4.569 5.005 . 0 0 "[ . 1]" 1
965 1 70 THR HB 1 77 TRP H 3.750 . 5.700 6.194 5.803 6.684 0.984 1 4 "[+ *. * -1]" 1
966 1 77 TRP H 1 77 TRP HA 2.650 . 3.500 2.896 2.869 2.905 . 0 0 "[ . 1]" 1
967 1 77 TRP H 1 77 TRP HB3 3.150 . 4.500 3.452 3.296 3.597 . 0 0 "[ . 1]" 1
968 1 77 TRP H 1 77 TRP HB2 3.150 . 4.500 3.911 3.832 3.967 . 0 0 "[ . 1]" 1
969 1 77 TRP H 1 77 TRP HD1 2.650 . 3.500 3.292 3.059 3.784 0.284 10 0 "[ . 1]" 1
970 1 77 TRP H 1 78 GLU H 3.150 . 4.500 4.345 4.270 4.384 . 0 0 "[ . 1]" 1
971 1 76 ARG H 1 77 TRP H 2.650 . 3.500 2.687 2.461 2.835 . 0 0 "[ . 1]" 1
972 1 76 ARG QB 1 77 TRP H 2.650 . 3.500 2.250 1.990 2.573 . 0 0 "[ . 1]" 1
973 1 77 TRP HA 1 77 TRP HE3 3.750 . 5.700 4.375 4.173 4.516 . 0 0 "[ . 1]" 1
974 1 77 TRP HA 1 77 TRP HB2 2.650 . 3.500 2.499 2.399 2.585 . 0 0 "[ . 1]" 1
975 1 70 THR H 1 77 TRP HA 2.650 . 3.500 2.412 2.090 2.896 . 0 0 "[ . 1]" 1
976 1 75 LYS HG2 1 77 TRP HA 3.750 . 5.700 5.643 5.053 5.884 0.184 6 0 "[ . 1]" 1
977 1 77 TRP HB3 1 77 TRP HE3 3.150 . 4.500 4.120 4.065 4.188 . 0 0 "[ . 1]" 1
978 1 77 TRP HB2 1 77 TRP HE3 3.150 . 4.500 2.584 2.511 2.696 . 0 0 "[ . 1]" 1
979 1 77 TRP HZ3 1 79 TYR QD 3.150 . 4.500 3.510 2.833 3.892 . 0 0 "[ . 1]" 1
980 1 23 THR MG 1 78 GLU H 3.150 . 4.500 3.091 2.747 3.385 . 0 0 "[ . 1]" 1
981 1 77 TRP HA 1 78 GLU H 2.300 . 2.800 2.334 2.235 2.444 . 0 0 "[ . 1]" 1
982 1 77 TRP HB2 1 78 GLU H 2.650 . 3.500 2.627 2.357 2.925 . 0 0 "[ . 1]" 1
983 1 23 THR HB 1 78 GLU H 3.750 . 5.700 5.040 4.642 5.339 . 0 0 "[ . 1]" 1
984 1 77 TRP HE3 1 78 GLU H 2.650 . 3.500 3.289 2.714 3.982 0.482 9 0 "[ . 1]" 1
985 1 68 CYS QB 1 78 GLU H 3.750 . 5.700 4.960 4.736 5.323 . 0 0 "[ . 1]" 1
986 1 68 CYS HA 1 78 GLU H 3.750 . 5.700 4.995 4.801 5.408 . 0 0 "[ . 1]" 1
987 1 78 GLU H 1 79 TYR HA 3.750 . 5.700 4.888 4.757 4.994 . 0 0 "[ . 1]" 1
988 1 78 GLU H 1 78 GLU HA 2.650 . 3.500 2.924 2.898 2.944 . 0 0 "[ . 1]" 1
989 1 78 GLU H 1 79 TYR H 3.150 . 4.500 4.404 4.364 4.441 . 0 0 "[ . 1]" 1
990 1 78 GLU H 1 78 GLU QG 3.400 . 5.000 3.671 3.081 4.142 . 0 0 "[ . 1]" 1
991 1 78 GLU H 1 78 GLU HB3 3.150 . 4.500 3.637 3.480 3.789 . 0 0 "[ . 1]" 1
992 1 78 GLU H 1 78 GLU HB2 2.650 . 3.500 2.685 2.607 2.849 . 0 0 "[ . 1]" 1
993 1 77 TRP HB3 1 78 GLU H 3.150 . 4.500 3.817 3.715 4.022 . 0 0 "[ . 1]" 1
994 1 70 THR MG 1 78 GLU H 3.750 . 5.700 3.520 3.236 3.921 . 0 0 "[ . 1]" 1
995 1 78 GLU HA 1 78 GLU QG 3.150 . 4.500 2.727 2.597 2.920 . 0 0 "[ . 1]" 1
996 1 78 GLU HA 1 78 GLU HB2 2.650 . 3.500 2.948 2.864 3.025 . 0 0 "[ . 1]" 1
997 1 78 GLU HB2 1 78 GLU QG 2.650 . 3.500 2.161 2.156 2.167 . 0 0 "[ . 1]" 1
998 1 23 THR MG 1 78 GLU HB3 3.150 . 4.500 2.832 2.427 3.363 . 0 0 "[ . 1]" 1
999 1 78 GLU HB3 1 78 GLU QG 2.650 . 3.500 2.303 2.256 2.393 . 0 0 "[ . 1]" 1
1000 1 23 THR HB 1 78 GLU QG 3.150 . 4.500 3.906 3.541 4.303 . 0 0 "[ . 1]" 1
1001 1 24 MET HG3 1 79 TYR H 3.150 . 4.500 3.971 3.519 4.337 . 0 0 "[ . 1]" 1
1002 1 67 TRP HA 1 79 TYR H 3.750 . 5.700 5.189 4.710 5.563 . 0 0 "[ . 1]" 1
1003 1 78 GLU QG 1 79 TYR H 3.150 . 4.500 3.829 3.417 4.336 . 0 0 "[ . 1]" 1
1004 1 23 THR HB 1 79 TYR H 3.750 . 5.700 4.438 4.108 4.993 . 0 0 "[ . 1]" 1
1005 1 24 MET HG2 1 79 TYR H 3.150 . 4.500 4.094 3.751 4.623 0.123 4 0 "[ . 1]" 1
1006 1 77 TRP HE3 1 79 TYR H 3.150 . 4.500 4.363 4.015 4.568 0.068 3 0 "[ . 1]" 1
1007 1 79 TYR H 1 80 CYS H 3.150 . 4.500 4.579 4.555 4.602 0.102 9 0 "[ . 1]" 1
1008 1 79 TYR H 1 79 TYR QD 3.150 . 4.500 2.887 2.481 3.584 . 0 0 "[ . 1]" 1
1009 1 79 TYR H 1 79 TYR HA 2.650 . 3.500 2.900 2.879 2.924 . 0 0 "[ . 1]" 1
1010 1 79 TYR H 1 79 TYR HB3 2.650 . 3.500 3.548 3.407 3.616 0.116 2 0 "[ . 1]" 1
1011 1 79 TYR H 1 79 TYR HB2 2.650 . 3.500 2.305 2.136 2.399 . 0 0 "[ . 1]" 1
1012 1 78 GLU HB3 1 79 TYR H 3.150 . 4.500 2.513 2.201 2.789 . 0 0 "[ . 1]" 1
1013 1 78 GLU HB2 1 79 TYR H 3.150 . 4.500 3.836 3.650 3.971 . 0 0 "[ . 1]" 1
1014 1 78 GLU HA 1 79 TYR H 2.300 . 2.800 2.386 2.257 2.514 . 0 0 "[ . 1]" 1
1015 1 79 TYR HA 1 79 TYR HB2 2.650 . 3.500 3.000 2.947 3.025 . 0 0 "[ . 1]" 1
1016 1 79 TYR HA 1 79 TYR HB3 2.650 . 3.500 2.588 2.507 2.736 . 0 0 "[ . 1]" 1
1017 1 79 TYR HB3 1 79 TYR QD 2.650 . 3.500 2.484 2.308 2.683 . 0 0 "[ . 1]" 1
1018 1 65 ARG HD2 1 79 TYR HB3 3.150 . 4.500 3.441 2.003 5.399 0.899 6 1 "[ .+ 1]" 1
1019 1 79 TYR HB2 1 79 TYR QD 2.650 . 3.500 2.352 2.271 2.514 . 0 0 "[ . 1]" 1
1020 1 77 TRP HH2 1 79 TYR QE 3.150 . 4.500 3.372 2.804 3.987 . 0 0 "[ . 1]" 1
1021 1 79 TYR QD 1 80 CYS H 2.650 . 3.500 3.279 2.505 3.618 0.118 2 0 "[ . 1]" 1
1022 1 80 CYS H 1 80 CYS QB 2.650 . 3.500 2.508 2.484 2.553 . 0 0 "[ . 1]" 1
1023 1 67 TRP HA 1 80 CYS H 2.650 . 3.500 3.125 2.939 3.342 . 0 0 "[ . 1]" 1
1024 1 23 THR MG 1 80 CYS QB 3.750 . 5.700 3.919 3.422 4.443 . 0 0 "[ . 1]" 1
1025 1 79 TYR HA 1 80 CYS H 2.300 . 2.800 2.361 2.341 2.395 . 0 0 "[ . 1]" 1
1026 1 80 CYS QB 1 82 ILE MD 3.150 . 4.500 2.878 2.627 3.093 . 0 0 "[ . 1]" 1
1027 1 80 CYS HA 1 80 CYS QB 2.650 . 3.500 2.444 2.370 2.468 . 0 0 "[ . 1]" 1
1028 1 80 CYS QB 1 82 ILE HG12 3.150 . 4.500 3.967 3.509 4.433 . 0 0 "[ . 1]" 1
1029 1 79 TYR HB3 1 80 CYS H 2.650 . 3.500 2.534 2.458 2.705 . 0 0 "[ . 1]" 1
1030 1 80 CYS H 1 81 ASP H 3.150 . 4.500 4.439 4.387 4.500 0.000 6 0 "[ . 1]" 1
1031 1 66 PRO HB2 1 80 CYS H 3.400 . 5.000 4.588 4.002 5.118 0.118 8 0 "[ . 1]" 1
1032 1 66 PRO HB3 1 80 CYS H 3.750 . 5.700 6.010 5.466 6.491 0.791 8 4 "[ *-. + *]" 1
1033 1 67 TRP H 1 80 CYS H 3.150 . 4.500 5.165 4.822 5.485 0.985 3 8 "[ *+***** -]" 1
1034 1 57 CYS QB 1 80 CYS QB 3.150 . 4.500 3.750 3.389 4.022 . 0 0 "[ . 1]" 1
1035 1 80 CYS QB 1 81 ASP H 2.650 . 3.500 3.455 2.746 3.637 0.137 9 0 "[ . 1]" 1
1036 1 24 MET H 1 81 ASP H 3.150 . 4.500 3.865 3.488 4.420 . 0 0 "[ . 1]" 1
1037 1 80 CYS HA 1 81 ASP H 2.650 . 3.500 2.254 2.198 2.422 . 0 0 "[ . 1]" 1
1038 1 81 ASP H 1 81 ASP QB 2.650 . 3.500 2.393 2.332 2.486 . 0 0 "[ . 1]" 1
1039 1 81 ASP H 1 82 ILE MD 3.750 . 5.700 5.055 4.776 5.281 . 0 0 "[ . 1]" 1
1040 1 24 MET HA 1 81 ASP H 3.150 . 4.500 3.237 2.687 3.585 . 0 0 "[ . 1]" 1
1041 1 81 ASP H 1 82 ILE H 3.150 . 4.500 4.241 4.127 4.354 . 0 0 "[ . 1]" 1
1042 1 24 MET HB2 1 81 ASP H 3.150 . 4.500 3.602 3.162 3.926 . 0 0 "[ . 1]" 1
1043 1 81 ASP HA 1 81 ASP QB 2.650 . 3.500 2.381 2.293 2.436 . 0 0 "[ . 1]" 1
1044 1 24 MET HB2 1 81 ASP QB 3.150 . 4.500 2.703 2.408 3.783 . 0 0 "[ . 1]" 1
1045 1 65 ARG HD2 1 82 ILE H 3.750 . 5.700 4.510 3.411 6.160 0.460 10 0 "[ . 1]" 1
1046 1 82 ILE H 1 82 ILE HB 2.650 . 3.500 2.792 2.629 3.035 . 0 0 "[ . 1]" 1
1047 1 81 ASP QB 1 82 ILE H 3.400 . 4.500 3.894 3.836 3.947 . 0 0 "[ . 1]" 1
1048 1 81 ASP HA 1 82 ILE H 2.650 . 3.500 2.134 2.118 2.164 . 0 0 "[ . 1]" 1
1049 1 65 ARG HD3 1 82 ILE H 3.750 . 5.700 4.777 3.736 6.567 0.867 6 1 "[ .+ 1]" 1
1050 1 82 ILE H 1 82 ILE HG12 2.650 . 3.500 3.836 3.413 4.164 0.664 9 2 "[ . -+1]" 1
1051 1 82 ILE H 1 82 ILE HA 2.650 . 3.500 2.945 2.942 2.947 . 0 0 "[ . 1]" 1
1052 1 82 ILE H 1 82 ILE HG13 2.650 . 3.500 2.591 2.211 2.847 . 0 0 "[ . 1]" 1
1053 1 82 ILE H 1 83 PRO HD2 3.400 . 5.000 4.797 4.738 5.060 0.060 9 0 "[ . 1]" 1
1054 1 82 ILE HA 1 83 PRO HD3 2.650 . 3.500 2.412 2.058 2.504 . 0 0 "[ . 1]" 1
1055 1 82 ILE HA 1 83 PRO HD2 2.650 . 3.500 2.092 1.979 2.411 . 0 0 "[ . 1]" 1
1056 1 82 ILE HA 1 82 ILE MG 3.150 . 4.500 2.314 2.180 2.400 . 0 0 "[ . 1]" 1
1057 1 82 ILE HB 1 82 ILE HG13 2.650 . 3.500 2.540 2.471 2.654 . 0 0 "[ . 1]" 1
1058 1 16 TYR QE 1 82 ILE MG 3.150 . 4.500 3.028 2.577 3.475 . 0 0 "[ . 1]" 1
1059 1 82 ILE HG12 1 82 ILE MG 3.150 . 4.500 2.315 2.216 2.393 . 0 0 "[ . 1]" 1
1060 1 9 MET HB2 1 82 ILE MG 3.150 . 4.500 2.997 2.477 3.928 . 0 0 "[ . 1]" 1
1061 1 83 PRO HA 1 84 ARG QB 3.750 . 5.700 4.392 4.242 4.647 . 0 0 "[ . 1]" 1
1062 1 83 PRO HB3 1 83 PRO HG2 2.300 . 2.800 2.939 2.645 2.975 0.175 2 0 "[ . 1]" 1
1063 1 83 PRO HD2 1 83 PRO HG3 2.650 . 3.500 2.712 2.670 2.966 . 0 0 "[ . 1]" 1
1064 1 83 PRO HD3 1 83 PRO HG3 2.650 . 3.500 2.304 2.280 2.313 . 0 0 "[ . 1]" 1
1065 1 83 PRO HA 1 83 PRO HD3 3.150 . 4.500 3.477 3.411 3.568 . 0 0 "[ . 1]" 1
1066 1 82 ILE MG 1 83 PRO HD2 3.750 . 5.700 2.073 1.939 2.211 . 0 0 "[ . 1]" 1
1067 1 82 ILE MG 1 83 PRO HD3 3.150 . 4.500 3.430 3.268 3.605 . 0 0 "[ . 1]" 1
1068 1 83 PRO HA 1 83 PRO HD2 3.150 . 4.500 4.068 3.939 4.097 . 0 0 "[ . 1]" 1
1069 1 83 PRO HD2 1 83 PRO HG2 2.650 . 3.500 2.310 2.300 2.321 . 0 0 "[ . 1]" 1
1070 1 84 ARG H 1 84 ARG HD3 3.150 . 4.500 3.300 1.899 4.484 . 0 0 "[ . 1]" 1
1071 1 8 CYS HA 1 84 ARG H 3.400 . 5.000 4.823 4.546 5.227 0.227 5 0 "[ . 1]" 1
1072 1 8 CYS QB 1 84 ARG H 3.150 . 4.500 5.140 4.911 5.486 0.986 5 7 "[ -* +*** *]" 1
1073 1 9 MET H 1 84 ARG H 3.150 . 4.500 4.385 4.251 4.559 0.059 5 0 "[ . 1]" 1
1074 1 83 PRO HA 1 84 ARG H 2.300 . 2.800 2.143 2.122 2.158 . 0 0 "[ . 1]" 1
1075 1 83 PRO HB2 1 84 ARG H 3.150 . 4.500 3.674 3.487 4.041 . 0 0 "[ . 1]" 1
1076 1 84 ARG H 1 84 ARG HA 2.650 . 3.500 2.936 2.930 2.943 . 0 0 "[ . 1]" 1
1077 1 84 ARG H 1 84 ARG QB 2.300 . 2.800 2.793 2.670 3.002 0.202 3 0 "[ . 1]" 1
1078 1 84 ARG QB 1 84 ARG HD3 2.650 . 3.500 2.286 1.942 2.562 . 0 0 "[ . 1]" 1
1079 1 84 ARG QB 1 84 ARG HD2 2.650 . 3.500 2.755 2.331 3.238 . 0 0 "[ . 1]" 1
1080 1 84 ARG HA 1 84 ARG HG2 3.150 . 4.500 3.631 3.572 3.713 . 0 0 "[ . 1]" 1
1081 1 84 ARG HD2 1 84 ARG HG2 2.650 . 3.500 2.877 2.622 3.017 . 0 0 "[ . 1]" 1
1082 1 85 CYS H 1 85 CYS HB3 2.650 . 3.500 3.605 3.572 3.657 0.157 2 0 "[ . 1]" 1
1083 1 8 CYS HA 1 85 CYS H 3.400 . 5.000 4.745 4.350 5.082 0.082 4 0 "[ . 1]" 1
1084 1 84 ARG HG2 1 85 CYS H 3.150 . 4.500 4.191 3.799 4.906 0.406 3 0 "[ . 1]" 1
1085 1 85 CYS H 1 85 CYS HA 2.650 . 3.500 2.859 2.827 2.919 . 0 0 "[ . 1]" 1
1086 1 85 CYS H 1 85 CYS HB2 2.300 . 2.800 2.606 2.529 2.698 . 0 0 "[ . 1]" 1
1087 1 84 ARG HA 1 85 CYS H 2.300 . 2.800 2.380 2.316 2.474 . 0 0 "[ . 1]" 1
1088 1 8 CYS QB 1 85 CYS H 3.400 . 5.000 3.257 2.922 3.600 . 0 0 "[ . 1]" 1
1089 1 85 CYS HA 1 85 CYS HB3 2.650 . 3.500 2.413 2.369 2.458 . 0 0 "[ . 1]" 1
1090 1 85 CYS HA 1 85 CYS HB2 2.650 . 3.500 3.023 3.011 3.031 . 0 0 "[ . 1]" 1
1091 1 8 CYS QB 1 85 CYS HB3 3.150 . 4.500 3.632 3.484 3.826 . 0 0 "[ . 1]" 1
1092 1 86 ALA H 1 86 ALA HA 2.650 . 3.500 2.863 2.819 2.905 . 0 0 "[ . 1]" 1
1093 1 85 CYS HB2 1 86 ALA H 3.150 . 4.500 3.663 3.487 3.820 . 0 0 "[ . 1]" 1
1094 1 86 ALA H 1 86 ALA MB 2.650 . 3.500 2.254 2.236 2.274 . 0 0 "[ . 1]" 1
1095 1 85 CYS HB3 1 86 ALA H 2.650 . 3.500 2.692 2.439 2.845 . 0 0 "[ . 1]" 1
1096 1 8 CYS QB 1 86 ALA H 3.750 . 5.700 4.516 4.277 4.953 . 0 0 "[ . 1]" 1
1097 1 86 ALA H 1 87 ALA H 3.150 . 4.500 2.618 2.400 3.584 . 0 0 "[ . 1]" 1
1098 1 85 CYS HA 1 86 ALA H 2.300 . 2.800 2.332 2.271 2.446 . 0 0 "[ . 1]" 1
1099 1 85 CYS HA 1 87 ALA H 3.150 . 4.500 4.158 3.887 4.540 0.040 5 0 "[ . 1]" 1
1100 1 85 CYS HB3 1 87 ALA H 3.150 . 4.500 2.987 2.690 4.193 . 0 0 "[ . 1]" 1
1101 1 85 CYS HB2 1 87 ALA H 3.150 . 4.500 3.332 2.637 3.957 . 0 0 "[ . 1]" 1
1102 1 87 ALA H 1 87 ALA MB 2.650 . 3.500 2.395 2.234 2.626 . 0 0 "[ . 1]" 1
1103 1 87 ALA H 1 87 ALA HA 2.650 . 3.500 2.923 2.874 2.947 . 0 0 "[ . 1]" 1
1104 2 7 THR H 2 8 ALA H 2.500 . 3.500 2.799 2.599 2.984 . 0 0 "[ . 1]" 1
1105 2 8 ALA H 2 9 ASP H 2.500 . 3.000 2.618 2.401 2.844 . 0 0 "[ . 1]" 1
1106 2 9 ASP H 2 10 ALA H 2.500 . 3.000 2.758 2.600 2.854 . 0 0 "[ . 1]" 1
1107 2 10 ALA H 2 11 GLU H 2.500 . 3.000 2.598 2.442 2.755 . 0 0 "[ . 1]" 1
1108 2 11 GLU H 2 12 LEU H 2.500 . 3.000 2.777 2.730 2.821 . 0 0 "[ . 1]" 1
1109 2 12 LEU H 2 13 GLN H 2.500 . 3.000 2.724 2.576 2.853 . 0 0 "[ . 1]" 1
1110 2 13 GLN H 2 14 ARG H 2.500 . 3.000 2.687 2.559 2.795 . 0 0 "[ . 1]" 1
1111 2 16 LYS H 2 17 ASN H 2.500 . 3.000 2.647 2.531 2.719 . 0 0 "[ . 1]" 1
1112 2 19 ALA H 2 20 ALA H 2.500 . 3.000 2.496 2.392 2.625 . 0 0 "[ . 1]" 1
1113 2 20 ALA H 2 21 GLU H 2.500 . 3.000 2.504 2.396 2.589 . 0 0 "[ . 1]" 1
1114 2 21 GLU H 2 22 GLU H 2.500 . 3.000 2.804 2.735 2.956 . 0 0 "[ . 1]" 1
1115 2 22 GLU H 2 23 ALA H 2.500 . 3.000 2.975 2.635 3.143 0.143 2 0 "[ . 1]" 1
1116 2 23 ALA H 2 24 GLU H 2.500 . 3.000 1.780 1.664 1.990 0.336 9 0 "[ . 1]" 1
1117 2 24 GLU H 2 25 LEU H 2.500 . 3.000 2.598 2.101 2.971 . 0 0 "[ . 1]" 1
1118 2 25 LEU H 2 26 GLU H 2.500 . 3.000 2.669 2.584 2.773 . 0 0 "[ . 1]" 1
1119 2 26 GLU H 2 27 ARG H 2.500 . 3.000 2.638 2.533 2.799 . 0 0 "[ . 1]" 1
1120 2 36 ASP H 2 37 LYS H 2.500 . 3.000 2.698 2.583 2.767 . 0 0 "[ . 1]" 1
1121 2 37 LYS H 2 38 LYS H 2.500 . 3.000 2.588 2.457 2.647 . 0 0 "[ . 1]" 1
1122 2 41 GLU H 2 42 ARG H 2.500 . 3.000 2.480 2.357 2.549 . 0 0 "[ . 1]" 1
1123 2 42 ARG H 2 43 LYS H 2.500 . 3.000 2.654 2.459 2.787 . 0 0 "[ . 1]" 1
1124 2 43 LYS H 2 44 ALA H 2.500 . 3.000 2.675 2.559 2.769 . 0 0 "[ . 1]" 1
1125 2 44 ALA H 2 45 LEU H 2.500 . 3.000 2.797 2.688 2.865 . 0 0 "[ . 1]" 1
1126 2 45 LEU H 2 46 GLU H 2.500 . 3.000 2.279 2.238 2.332 . 0 0 "[ . 1]" 1
1127 2 46 GLU H 2 47 ASP H 2.500 . 3.500 2.852 2.691 2.959 . 0 0 "[ . 1]" 1
1128 2 47 ASP H 2 48 LYS H 2.500 . 3.500 2.529 2.469 2.573 . 0 0 "[ . 1]" 1
1129 2 49 LEU H 2 50 ALA H 2.500 . 3.500 2.485 2.081 2.641 . 0 0 "[ . 1]" 1
1130 2 3 VAL H 2 3 VAL HA 2.500 . 3.000 2.851 2.815 2.885 . 0 0 "[ . 1]" 1
1131 2 4 GLU H 2 4 GLU HA 2.500 . 3.000 2.932 2.895 2.951 . 0 0 "[ . 1]" 1
1132 2 7 THR H 2 7 THR HA 2.500 . 3.000 2.808 2.769 2.915 . 0 0 "[ . 1]" 1
1133 2 8 ALA H 2 8 ALA HA 2.500 . 3.000 2.836 2.786 2.886 . 0 0 "[ . 1]" 1
1134 2 9 ASP H 2 9 ASP HA 2.500 . 3.000 2.804 2.782 2.818 . 0 0 "[ . 1]" 1
1135 2 10 ALA H 2 10 ALA HA 2.500 . 3.000 2.834 2.803 2.868 . 0 0 "[ . 1]" 1
1136 2 12 LEU H 2 12 LEU HA 2.500 . 3.000 2.804 2.773 2.836 . 0 0 "[ . 1]" 1
1137 2 13 GLN H 2 13 GLN HA 2.500 . 3.000 2.820 2.795 2.848 . 0 0 "[ . 1]" 1
1138 2 14 ARG H 2 14 ARG HA 2.500 . 3.000 2.826 2.797 2.844 . 0 0 "[ . 1]" 1
1139 2 15 LEU H 2 15 LEU HA 2.500 . 3.000 2.795 2.776 2.815 . 0 0 "[ . 1]" 1
1140 2 16 LYS H 2 16 LYS HA 2.500 . 3.000 2.822 2.798 2.848 . 0 0 "[ . 1]" 1
1141 2 17 ASN H 2 17 ASN HA 2.500 . 3.000 2.811 2.802 2.825 . 0 0 "[ . 1]" 1
1142 2 18 GLU H 2 18 GLU HA 2.500 . 3.000 2.813 2.784 2.840 . 0 0 "[ . 1]" 1
1143 2 19 ALA H 2 19 ALA HA 2.500 . 3.000 2.861 2.828 2.880 . 0 0 "[ . 1]" 1
1144 2 20 ALA H 2 20 ALA HA 2.500 . 3.000 2.853 2.831 2.878 . 0 0 "[ . 1]" 1
1145 2 21 GLU H 2 21 GLU HA 2.500 . 3.000 2.761 2.716 2.784 . 0 0 "[ . 1]" 1
1146 2 22 GLU H 2 22 GLU HA 2.500 . 3.000 2.801 2.762 2.835 . 0 0 "[ . 1]" 1
1147 2 23 ALA H 2 23 ALA HA 2.500 . 3.000 2.916 2.887 2.939 . 0 0 "[ . 1]" 1
1148 2 24 GLU H 2 24 GLU HA 2.500 . 3.000 2.888 2.811 2.950 . 0 0 "[ . 1]" 1
1149 2 25 LEU H 2 25 LEU HA 2.500 . 3.000 2.793 2.755 2.817 . 0 0 "[ . 1]" 1
1150 2 26 GLU H 2 26 GLU HA 2.500 . 3.000 2.821 2.798 2.842 . 0 0 "[ . 1]" 1
1151 2 27 ARG H 2 27 ARG HA 2.500 . 3.000 2.869 2.844 2.904 . 0 0 "[ . 1]" 1
1152 2 28 LEU H 2 28 LEU HA 2.500 . 3.000 2.792 2.767 2.814 . 0 0 "[ . 1]" 1
1153 2 34 ASP H 2 34 ASP HA 2.500 . 3.000 2.877 2.837 2.899 . 0 0 "[ . 1]" 1
1154 2 35 HIS H 2 35 HIS HA 2.500 . 3.000 2.846 2.805 2.886 . 0 0 "[ . 1]" 1
1155 2 36 ASP H 2 36 ASP HA 2.500 . 3.000 2.820 2.805 2.836 . 0 0 "[ . 1]" 1
1156 2 37 LYS H 2 37 LYS HA 2.500 . 3.000 2.824 2.810 2.847 . 0 0 "[ . 1]" 1
1157 2 38 LYS H 2 38 LYS HA 2.500 . 3.000 2.885 2.858 2.902 . 0 0 "[ . 1]" 1
1158 2 39 GLU H 2 39 GLU HA 2.500 . 3.000 2.811 2.779 2.860 . 0 0 "[ . 1]" 1
1159 2 40 ALA H 2 40 ALA HA 2.500 . 3.000 2.788 2.752 2.811 . 0 0 "[ . 1]" 1
1160 2 41 GLU H 2 41 GLU HA 2.500 . 3.000 2.863 2.835 2.892 . 0 0 "[ . 1]" 1
1161 2 42 ARG H 2 42 ARG HA 2.500 . 3.000 2.845 2.795 2.901 . 0 0 "[ . 1]" 1
1162 2 43 LYS H 2 43 LYS HA 2.500 . 3.000 2.808 2.782 2.845 . 0 0 "[ . 1]" 1
1163 2 44 ALA H 2 44 ALA HA 2.500 . 3.000 2.784 2.767 2.802 . 0 0 "[ . 1]" 1
1164 2 45 LEU H 2 45 LEU HA 2.500 . 3.000 2.909 2.904 2.913 . 0 0 "[ . 1]" 1
1165 2 46 GLU H 2 46 GLU HA 2.500 . 3.000 2.799 2.774 2.838 . 0 0 "[ . 1]" 1
1166 2 47 ASP H 2 47 ASP HA 2.500 . 3.000 2.848 2.826 2.877 . 0 0 "[ . 1]" 1
1167 2 51 ASP H 2 51 ASP HA 2.500 . 3.000 2.873 2.803 2.921 . 0 0 "[ . 1]" 1
1168 2 52 TYR H 2 52 TYR HA 2.500 . 3.000 2.930 2.889 2.950 . 0 0 "[ . 1]" 1
1169 2 7 THR HA 2 8 ALA H 3.500 3.000 4.000 3.561 3.528 3.581 . 0 0 "[ . 1]" 1
1170 2 9 ASP HA 2 10 ALA H 3.500 3.000 4.000 3.549 3.505 3.570 . 0 0 "[ . 1]" 1
1171 2 12 LEU HA 2 13 GLN H 3.500 3.000 4.000 3.542 3.528 3.554 . 0 0 "[ . 1]" 1
1172 2 15 LEU HA 2 16 LYS H 3.500 3.000 4.000 3.536 3.506 3.558 . 0 0 "[ . 1]" 1
1173 2 18 GLU HA 2 19 ALA H 3.500 3.000 4.000 3.529 3.504 3.553 . 0 0 "[ . 1]" 1
1174 2 19 ALA HA 2 20 ALA H 3.500 3.000 4.000 3.518 3.476 3.542 . 0 0 "[ . 1]" 1
1175 2 22 GLU HA 2 23 ALA H 3.500 3.000 4.000 3.580 3.555 3.594 . 0 0 "[ . 1]" 1
1176 2 23 ALA HA 2 24 GLU H 3.500 3.000 4.000 3.382 3.090 3.545 . 0 0 "[ . 1]" 1
1177 2 24 GLU HA 2 25 LEU H 3.500 3.000 4.000 3.161 3.019 3.342 . 0 0 "[ . 1]" 1
1178 2 25 LEU HA 2 26 GLU H 3.500 3.000 4.000 3.493 3.449 3.525 . 0 0 "[ . 1]" 1
1179 2 26 GLU HA 2 27 ARG H 3.500 3.000 4.000 3.531 3.469 3.559 . 0 0 "[ . 1]" 1
1180 2 27 ARG HA 2 28 LEU H 3.500 3.000 4.000 3.486 3.442 3.523 . 0 0 "[ . 1]" 1
1181 2 28 LEU HA 2 29 LYS H 3.500 3.000 4.000 3.533 3.483 3.574 . 0 0 "[ . 1]" 1
1182 2 34 ASP HA 2 35 HIS H 3.500 3.000 4.000 3.490 3.452 3.534 . 0 0 "[ . 1]" 1
1183 2 43 LYS HA 2 44 ALA H 3.500 3.000 4.000 3.477 3.437 3.504 . 0 0 "[ . 1]" 1
1184 2 47 ASP HA 2 48 LYS H 3.500 3.000 4.500 3.435 3.328 3.489 . 0 0 "[ . 1]" 1
1185 2 48 LYS HA 2 49 LEU H 3.500 3.000 4.500 3.516 3.437 3.568 . 0 0 "[ . 1]" 1
1186 2 49 LEU HA 2 50 ALA H 3.500 3.000 4.500 3.551 3.523 3.574 . 0 0 "[ . 1]" 1
1187 2 7 THR HA 2 9 ASP H 4.400 3.400 5.400 4.695 4.317 4.921 . 0 0 "[ . 1]" 1
1188 2 9 ASP HA 2 11 GLU H 4.400 3.400 5.400 4.485 4.279 4.624 . 0 0 "[ . 1]" 1
1189 2 13 GLN HA 2 15 LEU H 4.400 3.400 5.400 4.658 4.562 4.795 . 0 0 "[ . 1]" 1
1190 2 14 ARG HA 2 16 LYS H 4.400 3.400 5.400 4.504 4.294 4.634 . 0 0 "[ . 1]" 1
1191 2 16 LYS HA 2 18 GLU H 4.400 3.400 5.400 4.496 4.342 4.724 . 0 0 "[ . 1]" 1
1192 2 20 ALA HA 2 22 GLU H 4.400 3.400 5.400 3.557 3.444 3.669 . 0 0 "[ . 1]" 1
1193 2 27 ARG HA 2 29 LYS H 4.400 3.400 5.400 4.311 4.072 4.552 . 0 0 "[ . 1]" 1
1194 2 43 LYS HA 2 45 LEU H 4.400 3.400 5.400 4.302 4.139 4.505 . 0 0 "[ . 1]" 1
1195 2 7 THR HA 2 10 ALA H 3.500 2.500 4.500 4.005 3.453 4.452 . 0 0 "[ . 1]" 1
1196 2 9 ASP HA 2 12 LEU H 3.500 3.000 4.000 3.818 3.677 4.046 0.046 7 0 "[ . 1]" 1
1197 2 10 ALA HA 2 13 GLN H 3.500 3.000 4.000 3.565 3.215 3.752 . 0 0 "[ . 1]" 1
1198 2 22 GLU HA 2 25 LEU H 3.500 3.000 4.000 5.887 5.735 6.044 2.044 10 10 [***-*****+] 1
1199 2 23 ALA HA 2 26 GLU H 3.500 3.000 4.000 4.790 4.286 5.128 1.128 1 8 "[+***.-* **]" 1
1200 2 24 GLU HA 2 27 ARG H 3.500 3.000 4.000 3.270 3.192 3.433 . 0 0 "[ . 1]" 1
1201 2 35 HIS HA 2 38 LYS H 3.500 3.000 4.000 3.494 3.417 3.593 . 0 0 "[ . 1]" 1
1202 2 36 ASP HA 2 39 GLU H 3.500 3.000 4.000 3.153 2.916 3.299 0.084 1 0 "[ . 1]" 1
1203 2 40 ALA HA 2 43 LYS H 3.500 3.000 4.000 3.934 3.581 4.248 0.248 4 0 "[ . 1]" 1
1204 2 42 ARG HA 2 45 LEU H 3.500 2.500 4.500 3.860 3.601 3.990 . 0 0 "[ . 1]" 1
1205 2 44 ALA HA 2 47 ASP H 3.500 3.000 5.000 4.523 4.307 4.797 . 0 0 "[ . 1]" 1
1206 2 4 GLU H 2 4 GLU QB 3.500 2.500 5.000 2.460 2.188 2.661 0.312 9 0 "[ . 1]" 1
1207 2 6 LEU H 2 6 LEU QB 3.500 2.500 5.000 2.328 2.140 2.418 0.360 9 0 "[ . 1]" 1
1208 2 7 THR H 2 7 THR HB 3.500 2.500 5.000 3.122 2.930 3.321 . 0 0 "[ . 1]" 1
1209 2 8 ALA H 2 8 ALA MB 3.500 2.500 5.000 2.240 2.219 2.262 0.281 9 0 "[ . 1]" 1
1210 2 15 LEU H 2 15 LEU HB3 3.500 2.500 5.000 2.591 2.497 2.703 0.003 8 0 "[ . 1]" 1
1211 2 15 LEU H 2 15 LEU HB2 3.500 2.500 5.000 2.413 2.318 2.491 0.182 6 0 "[ . 1]" 1
1212 2 21 GLU H 2 21 GLU QB 3.500 2.500 5.000 2.175 2.020 2.243 0.480 5 0 "[ . 1]" 1
1213 2 28 LEU H 2 28 LEU HB3 3.500 2.500 5.000 2.554 2.502 2.648 . 0 0 "[ . 1]" 1
1214 2 28 LEU H 2 28 LEU HB2 3.500 2.500 5.000 2.408 2.328 2.463 0.172 7 0 "[ . 1]" 1
1215 2 34 ASP H 2 34 ASP QB 3.500 2.500 5.000 2.279 2.206 2.324 0.294 6 0 "[ . 1]" 1
1216 2 42 ARG H 2 42 ARG QB 3.500 2.500 5.000 2.245 2.081 2.285 0.419 4 0 "[ . 1]" 1
1217 2 45 LEU H 2 45 LEU HB3 3.500 2.500 5.000 3.562 3.487 3.617 . 0 0 "[ . 1]" 1
1218 2 45 LEU H 2 45 LEU HB2 3.500 2.500 5.000 2.304 2.225 2.401 0.275 8 0 "[ . 1]" 1
1219 2 48 LYS H 2 48 LYS QB 3.500 2.500 5.000 2.254 2.235 2.276 0.265 6 0 "[ . 1]" 1
1220 2 49 LEU H 2 49 LEU QB 3.500 2.500 5.000 2.258 2.162 2.387 0.338 7 0 "[ . 1]" 1
1221 2 9 ASP H 2 9 ASP QB 3.500 2.500 5.000 2.112 2.052 2.249 0.448 10 0 "[ . 1]" 1
1222 2 10 ALA H 2 10 ALA MB 3.500 2.500 5.000 2.243 2.223 2.267 0.277 8 0 "[ . 1]" 1
1223 2 11 GLU H 2 11 GLU QB 3.500 2.500 5.000 2.231 2.178 2.268 0.322 5 0 "[ . 1]" 1
1224 2 12 LEU H 2 12 LEU QB 3.500 2.500 5.000 2.423 2.299 2.553 0.201 1 0 "[ . 1]" 1
1225 2 13 GLN H 2 13 GLN QB 3.500 2.500 5.000 2.248 2.233 2.263 0.267 8 0 "[ . 1]" 1
1226 2 14 ARG H 2 14 ARG QB 3.500 2.500 5.000 2.249 2.139 2.272 0.361 8 0 "[ . 1]" 1
1227 2 16 LYS H 2 16 LYS QB 3.500 2.500 5.000 2.195 2.072 2.243 0.428 10 0 "[ . 1]" 1
1228 2 17 ASN H 2 17 ASN QB 3.500 2.500 5.000 2.198 2.150 2.234 0.350 4 0 "[ . 1]" 1
1229 2 19 ALA H 2 19 ALA MB 3.500 2.500 5.000 2.254 2.233 2.270 0.267 10 0 "[ . 1]" 1
1230 2 20 ALA H 2 20 ALA MB 3.500 2.500 5.000 2.247 2.235 2.268 0.265 9 0 "[ . 1]" 1
1231 2 22 GLU H 2 22 GLU QB 3.500 2.500 5.000 2.220 2.103 2.265 0.397 4 0 "[ . 1]" 1
1232 2 23 ALA H 2 23 ALA MB 3.500 2.500 5.000 2.682 2.580 2.765 . 0 0 "[ . 1]" 1
1233 2 24 GLU H 2 24 GLU QB 3.500 2.500 5.000 2.262 2.161 2.381 0.339 8 0 "[ . 1]" 1
1234 2 27 ARG H 2 27 ARG QB 3.500 2.500 5.000 2.260 2.201 2.336 0.299 9 0 "[ . 1]" 1
1235 2 28 LEU H 2 28 LEU QB 3.500 2.500 5.000 2.202 2.184 2.220 0.316 8 0 "[ . 1]" 1
1236 2 29 LYS H 2 29 LYS QB 3.500 2.500 5.000 2.270 1.987 2.749 0.513 3 1 "[ + . 1]" 1
1237 2 30 SER H 2 30 SER QB 3.500 2.500 5.000 2.606 2.435 2.686 0.065 9 0 "[ . 1]" 1
1238 2 35 HIS H 2 35 HIS QB 3.500 2.500 5.000 2.182 2.124 2.220 0.376 2 0 "[ . 1]" 1
1239 2 36 ASP H 2 36 ASP QB 3.500 2.500 5.000 2.146 2.069 2.276 0.431 9 0 "[ . 1]" 1
1240 2 37 LYS H 2 37 LYS QB 3.500 2.500 5.000 2.405 2.213 2.601 0.287 2 0 "[ . 1]" 1
1241 2 38 LYS H 2 38 LYS QB 3.500 2.500 5.000 2.277 2.251 2.301 0.249 6 0 "[ . 1]" 1
1242 2 39 GLU H 2 39 GLU QB 3.500 2.500 5.000 2.166 2.004 2.321 0.496 9 0 "[ . 1]" 1
1243 2 40 ALA H 2 40 ALA MB 3.500 2.500 5.000 2.223 2.200 2.243 0.300 8 0 "[ . 1]" 1
1244 2 41 GLU H 2 41 GLU QB 3.500 2.500 5.000 2.168 2.066 2.496 0.434 5 0 "[ . 1]" 1
1245 2 44 ALA H 2 44 ALA MB 3.500 2.500 5.000 2.237 2.229 2.244 0.271 8 0 "[ . 1]" 1
1246 2 43 LYS H 2 43 LYS QB 3.500 2.500 5.000 2.280 2.197 2.370 0.303 4 0 "[ . 1]" 1
1247 2 46 GLU H 2 46 GLU QB 3.500 2.500 5.000 2.186 2.096 2.255 0.404 1 0 "[ . 1]" 1
1248 2 47 ASP H 2 47 ASP QB 3.500 2.500 5.000 2.257 2.223 2.272 0.277 4 0 "[ . 1]" 1
1249 2 6 LEU QB 2 7 THR H 3.500 2.500 5.000 3.878 3.839 3.908 . 0 0 "[ . 1]" 1
1250 2 7 THR HB 2 8 ALA H 3.500 2.500 5.000 2.533 2.110 2.966 0.390 4 0 "[ . 1]" 1
1251 2 8 ALA MB 2 9 ASP H 3.500 2.500 5.000 2.511 2.349 2.668 0.151 8 0 "[ . 1]" 1
1252 2 9 ASP QB 2 10 ALA H 3.500 2.500 5.000 2.539 2.407 2.727 0.093 4 0 "[ . 1]" 1
1253 2 11 GLU QB 2 12 LEU H 3.500 2.500 5.000 2.377 2.271 2.500 0.229 5 0 "[ . 1]" 1
1254 2 14 ARG QB 2 15 LEU H 3.500 2.500 5.000 2.463 2.379 2.557 0.121 10 0 "[ . 1]" 1
1255 2 15 LEU HB3 2 16 LYS H 3.500 2.500 5.000 2.466 2.320 2.609 0.180 9 0 "[ . 1]" 1
1256 2 15 LEU HB2 2 16 LYS H 3.500 2.500 5.000 3.746 3.635 3.868 . 0 0 "[ . 1]" 1
1257 2 16 LYS QB 2 17 ASN H 3.500 2.500 5.000 2.489 2.405 2.622 0.095 5 0 "[ . 1]" 1
1258 2 18 GLU HB3 2 19 ALA H 3.500 2.500 5.000 2.833 2.437 3.813 0.063 10 0 "[ . 1]" 1
1259 2 18 GLU HB2 2 19 ALA H 3.500 2.500 5.000 3.584 2.824 3.918 . 0 0 "[ . 1]" 1
1260 2 20 ALA MB 2 21 GLU H 3.500 2.500 5.000 2.934 2.771 2.988 . 0 0 "[ . 1]" 1
1261 2 21 GLU QB 2 22 GLU H 3.500 2.500 5.000 2.991 2.809 3.145 . 0 0 "[ . 1]" 1
1262 2 22 GLU QB 2 23 ALA H 3.500 2.500 5.000 2.134 1.874 2.611 0.626 2 4 "[ +-*.* 1]" 1
1263 2 23 ALA MB 2 24 GLU H 3.500 2.500 5.000 3.016 2.508 3.513 . 0 0 "[ . 1]" 1
1264 2 24 GLU QB 2 25 LEU H 3.500 2.500 5.000 3.513 3.226 3.695 . 0 0 "[ . 1]" 1
1265 2 27 ARG QB 2 28 LEU H 3.500 2.500 5.000 2.744 2.507 2.905 . 0 0 "[ . 1]" 1
1266 2 28 LEU HB3 2 29 LYS H 3.500 2.500 5.000 2.477 2.373 2.668 0.127 2 0 "[ . 1]" 1
1267 2 28 LEU HB2 2 29 LYS H 3.500 2.500 5.000 3.760 3.732 3.819 . 0 0 "[ . 1]" 1
1268 2 33 HIS HB2 2 34 ASP H 3.500 2.500 5.000 2.951 2.483 3.587 0.017 2 0 "[ . 1]" 1
1269 2 33 HIS HB3 2 34 ASP H 3.500 2.500 5.000 2.898 2.593 3.328 . 0 0 "[ . 1]" 1
1270 2 34 ASP QB 2 35 HIS H 3.500 2.500 5.000 2.815 2.607 2.960 . 0 0 "[ . 1]" 1
1271 2 36 ASP QB 2 37 LYS H 3.500 2.500 5.000 2.666 2.481 2.886 0.019 7 0 "[ . 1]" 1
1272 2 37 LYS QB 2 38 LYS H 3.500 2.500 5.000 3.488 2.570 3.681 . 0 0 "[ . 1]" 1
1273 2 38 LYS QB 2 39 GLU H 3.500 2.500 5.000 2.668 2.517 2.834 . 0 0 "[ . 1]" 1
1274 2 41 GLU QB 2 42 ARG H 3.500 2.500 5.000 2.741 2.617 2.947 . 0 0 "[ . 1]" 1
1275 2 42 ARG QB 2 43 LYS H 3.500 2.500 5.000 2.402 2.255 2.524 0.245 2 0 "[ . 1]" 1
1276 2 44 ALA MB 2 45 LEU H 3.500 2.500 5.000 2.442 2.295 2.607 0.205 8 0 "[ . 1]" 1
1277 2 45 LEU HB3 2 46 GLU H 3.500 2.500 5.000 3.543 3.416 3.688 . 0 0 "[ . 1]" 1
1278 2 45 LEU HB2 2 46 GLU H 3.500 2.500 5.000 2.841 2.614 3.121 . 0 0 "[ . 1]" 1
1279 2 11 GLU H 2 11 GLU QG 3.500 2.500 5.000 3.967 3.942 4.034 . 0 0 "[ . 1]" 1
1280 2 12 LEU H 2 12 LEU HG 3.500 2.500 5.000 2.299 2.012 2.567 0.488 5 0 "[ . 1]" 1
1281 2 15 LEU H 2 15 LEU HG 3.500 2.500 5.000 4.501 4.462 4.541 . 0 0 "[ . 1]" 1
1282 2 22 GLU H 2 22 GLU QG 3.500 2.500 5.000 3.952 3.894 3.978 . 0 0 "[ . 1]" 1
1283 2 26 GLU H 2 26 GLU QG 3.500 2.500 5.000 2.475 2.275 2.753 0.225 7 0 "[ . 1]" 1
1284 2 39 GLU H 2 39 GLU QG 3.500 2.500 5.000 2.889 2.497 3.562 0.003 4 0 "[ . 1]" 1
1285 2 15 LEU H 2 15 LEU MD1 3.500 2.500 5.000 4.003 3.905 4.097 . 0 0 "[ . 1]" 1
1286 2 25 LEU H 2 25 LEU MD1 3.500 2.500 5.000 3.951 3.845 4.049 . 0 0 "[ . 1]" 1
1287 2 25 LEU H 2 25 LEU MD2 3.500 2.500 5.000 4.240 4.218 4.262 . 0 0 "[ . 1]" 1
1288 2 28 LEU H 2 28 LEU QD 3.500 2.500 5.000 3.667 3.650 3.677 . 0 0 "[ . 1]" 1
1289 2 29 LYS H 2 29 LYS QD 3.500 2.500 5.000 3.860 2.508 4.867 . 0 0 "[ . 1]" 1
1290 2 49 LEU H 2 49 LEU MD1 3.500 2.500 4.500 4.133 3.827 4.351 . 0 0 "[ . 1]" 1
1291 2 49 LEU H 2 49 LEU MD2 3.500 2.500 4.500 4.270 4.073 4.373 . 0 0 "[ . 1]" 1
1292 2 15 LEU HG 2 16 LYS H 3.500 2.500 4.500 3.871 3.623 4.182 . 0 0 "[ . 1]" 1
1293 2 28 LEU HA 2 31 GLU HB3 3.500 2.500 5.000 2.803 2.533 3.116 . 0 0 "[ . 1]" 1
1294 2 28 LEU HA 2 31 GLU HB2 3.500 2.500 5.000 3.314 2.906 3.712 . 0 0 "[ . 1]" 1
1295 1 42 TYR QD 2 25 LEU MD1 3.750 . 5.700 4.871 3.060 5.647 . 0 0 "[ . 1]" 1
1296 1 41 GLY H 2 28 LEU QD . . 3.500 4.564 3.721 5.356 1.856 3 9 "[* +****-**]" 1
1297 1 42 TYR H 2 28 LEU QD 3.750 . 5.700 5.704 4.967 6.592 0.892 3 1 "[ + . 1]" 1
1298 1 43 ILE H 2 28 LEU QD 3.750 . 5.700 6.744 6.120 7.712 2.012 3 8 "[ *+ ****-*]" 1
1299 1 47 PHE HZ 2 28 LEU QD 3.150 . 4.500 4.813 3.885 6.476 1.976 3 3 "[ + -* 1]" 1
1300 1 47 PHE QD 2 28 LEU QD 3.750 . 5.700 6.831 6.225 7.771 2.071 6 10 [*****+**-*] 1
1301 1 47 PHE QE 2 28 LEU QD 3.150 . 4.500 5.159 4.527 6.109 1.609 6 5 "[ -* *+* 1]" 1
1302 1 63 ASP H 2 29 LYS QG 3.750 . 5.700 6.728 5.750 7.873 2.173 7 7 "[ *- **+* *]" 1
1303 1 63 ASP H 2 29 LYS QD 3.150 . 3.500 6.114 5.341 7.183 3.683 4 10 [*-*+******] 1
1304 1 63 ASP HA 2 29 LYS QD 2.650 . 3.500 7.394 6.002 8.001 4.501 10 10 [*-*******+] 1
1305 1 61 ASP QB 2 29 LYS QD 3.150 . 4.500 2.875 1.872 5.223 0.723 4 1 "[ +. 1]" 1
1306 1 63 ASP H 2 29 LYS QE 3.750 . 5.700 7.226 6.158 8.116 2.416 7 9 "[***-**+ **]" 1
1307 1 77 TRP HD1 2 32 ARG HE 3.750 . 5.700 5.608 3.520 8.716 3.016 10 3 "[ - .* +]" 1
1308 1 67 TRP HZ3 2 32 ARG QD 3.150 . 4.500 5.486 4.155 6.929 2.429 10 7 "[*** .* -*+]" 1
1309 1 69 PHE HZ 2 32 ARG QD 3.150 . 4.500 3.920 2.669 4.679 0.179 8 0 "[ . 1]" 1
1310 1 69 PHE HZ 2 32 ARG QG 3.150 . 4.500 5.140 4.218 6.142 1.642 2 5 "[*+* .- *1]" 1
1311 1 69 PHE QE 2 32 ARG QG 3.150 . 4.500 5.568 4.372 6.403 1.903 2 8 "[*+*-** **]" 1
1312 1 77 TRP HE1 2 32 ARG QB 3.150 . 3.500 4.698 3.471 6.383 2.883 1 8 "[+* *.**-**]" 1
1313 1 77 TRP HE1 2 33 HIS H 3.750 . 5.700 5.933 4.915 6.929 1.229 9 2 "[- . +1]" 1
1314 1 77 TRP HZ2 2 33 HIS H 3.150 . 4.500 4.964 4.232 6.289 1.789 1 3 "[+ . *-]" 1
1315 1 77 TRP HE1 2 33 HIS HA 3.150 . 4.500 4.041 2.597 4.603 0.103 9 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 51
_Distance_constraint_stats_list.Viol_count 112
_Distance_constraint_stats_list.Viol_total 1934.406
_Distance_constraint_stats_list.Viol_max 4.720
_Distance_constraint_stats_list.Viol_rms 0.9528
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3793
_Distance_constraint_stats_list.Viol_average_violations_only 1.7271
_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 0.267 0.229 5 0 "[ . 1]"
1 21 SER 0.123 0.123 9 0 "[ . 1]"
1 23 THR 0.000 0.000 . 0 "[ . 1]"
1 27 LEU 0.000 0.000 . 0 "[ . 1]"
1 28 GLU 0.080 0.052 9 0 "[ . 1]"
1 29 CYS 0.123 0.123 9 0 "[ . 1]"
1 30 GLN 0.000 0.000 . 0 "[ . 1]"
1 31 ALA 0.000 0.000 . 0 "[ . 1]"
1 32 TRP 0.000 0.000 . 0 "[ . 1]"
1 34 SER 0.000 0.000 . 0 "[ . 1]"
1 54 LYS 0.000 0.000 . 0 "[ . 1]"
1 57 CYS 0.267 0.229 5 0 "[ . 1]"
1 58 ARG 2.408 0.361 2 0 "[ . 1]"
1 66 PRO 0.314 0.206 8 0 "[ . 1]"
1 67 TRP 2.408 0.361 2 0 "[ . 1]"
1 68 CYS 0.000 0.000 . 0 "[ . 1]"
1 69 PHE 0.000 0.000 . 0 "[ . 1]"
1 70 THR 0.000 0.000 . 0 "[ . 1]"
1 71 THR 0.080 0.052 9 0 "[ . 1]"
1 76 ARG 0.000 0.000 . 0 "[ . 1]"
1 78 GLU 0.000 0.000 . 0 "[ . 1]"
1 80 CYS 0.314 0.206 8 0 "[ . 1]"
2 8 ALA 0.000 0.000 . 0 "[ . 1]"
2 9 ASP 0.002 0.002 7 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 0.002 0.002 7 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 0.000 0.000 . 0 "[ . 1]"
2 18 GLU 0.000 0.000 . 0 "[ . 1]"
2 19 ALA 32.937 2.127 5 10 [****+****-]
2 20 ALA 0.936 0.303 8 0 "[ . 1]"
2 21 GLU 36.446 2.397 7 10 [***-**+***]
2 22 GLU 82.023 4.720 10 10 [****-****+]
2 23 ALA 70.842 2.193 3 10 [**+******-]
2 24 GLU 0.936 0.303 8 0 "[ . 1]"
2 25 LEU 36.446 2.397 7 10 [***-**+***]
2 26 GLU 82.023 4.720 10 10 [****-****+]
2 27 ARG 37.905 2.193 3 10 [**+*-*****]
2 28 LEU 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 21 SER O 1 29 CYS H 2.000 . 2.500 2.117 1.923 2.623 0.123 9 0 "[ . 1]" 2
2 1 21 SER O 1 29 CYS N 3.000 2.500 3.500 2.984 2.834 3.365 . 0 0 "[ . 1]" 2
3 1 23 THR H 1 27 LEU O 2.000 . 2.500 2.159 1.981 2.440 . 0 0 "[ . 1]" 2
4 1 23 THR N 1 27 LEU O 3.000 2.500 3.500 3.086 2.921 3.336 . 0 0 "[ . 1]" 2
5 1 66 PRO O 1 80 CYS H 2.000 . 2.500 2.305 1.893 2.706 0.206 8 0 "[ . 1]" 2
6 1 66 PRO O 1 80 CYS N 3.000 2.500 3.500 3.134 2.812 3.443 . 0 0 "[ . 1]" 2
7 1 70 THR H 1 76 ARG O 2.000 . 2.500 2.019 1.888 2.233 . 0 0 "[ . 1]" 2
8 1 70 THR N 1 76 ARG O 3.000 2.500 3.500 2.956 2.799 3.194 . 0 0 "[ . 1]" 2
9 1 68 CYS H 1 78 GLU O 2.000 . 2.500 2.230 1.986 2.438 . 0 0 "[ . 1]" 2
10 1 68 CYS N 1 78 GLU O 3.000 2.500 3.500 3.172 2.904 3.388 . 0 0 "[ . 1]" 2
11 1 28 GLU O 1 71 THR H 2.000 . 2.500 2.354 2.027 2.552 0.052 9 0 "[ . 1]" 2
12 1 28 GLU O 1 71 THR N 3.000 2.500 3.500 3.171 2.891 3.457 . 0 0 "[ . 1]" 2
13 1 31 ALA O 1 34 SER H 2.000 . 2.500 2.138 1.995 2.225 . 0 0 "[ . 1]" 2
14 1 31 ALA O 1 34 SER N 3.000 2.500 3.500 3.055 2.928 3.156 . 0 0 "[ . 1]" 2
15 1 20 ILE O 1 57 CYS H 2.000 . 2.500 2.114 1.918 2.729 0.229 5 0 "[ . 1]" 2
16 1 20 ILE O 1 57 CYS N 3.000 2.500 3.500 3.044 2.896 3.538 0.038 5 0 "[ . 1]" 2
17 1 68 CYS O 1 78 GLU H 2.000 . 2.500 2.082 1.902 2.455 . 0 0 "[ . 1]" 2
18 1 68 CYS O 1 78 GLU N 3.000 2.500 3.500 3.031 2.872 3.351 . 0 0 "[ . 1]" 2
19 1 58 ARG O 1 67 TRP H 2.000 . 2.500 2.429 2.113 2.652 0.152 6 0 "[ . 1]" 2
20 1 58 ARG O 1 67 TRP N 3.000 2.500 3.500 3.327 3.014 3.523 0.023 6 0 "[ . 1]" 2
21 1 32 TRP H 1 54 LYS O 2.000 . 2.500 1.978 1.827 2.389 . 0 0 "[ . 1]" 2
22 1 32 TRP N 1 54 LYS O 3.000 2.500 3.500 2.910 2.776 3.295 . 0 0 "[ . 1]" 2
23 1 30 GLN H 1 69 PHE O 2.000 . 2.500 1.746 1.704 1.843 . 0 0 "[ . 1]" 2
24 1 30 GLN N 1 69 PHE O 3.000 2.500 3.500 2.713 2.667 2.800 . 0 0 "[ . 1]" 2
25 1 58 ARG H 1 67 TRP O 2.000 . 2.500 2.646 2.479 2.861 0.361 2 0 "[ . 1]" 2
26 1 58 ARG N 1 67 TRP O 3.000 2.500 3.500 3.517 3.353 3.784 0.284 2 0 "[ . 1]" 2
27 2 24 GLU O 2 28 LEU H 2.000 . 2.500 1.866 1.761 2.030 . 0 0 "[ . 1]" 2
28 2 24 GLU O 2 28 LEU N 3.000 2.500 3.500 2.765 2.692 2.913 . 0 0 "[ . 1]" 2
29 2 23 ALA O 2 27 ARG H 2.000 . 2.500 4.435 3.817 4.693 2.193 3 10 [**+*-*****] 2
30 2 23 ALA O 2 27 ARG N 3.000 2.500 3.500 5.356 4.714 5.638 2.138 3 10 [**+*-*****] 2
31 2 22 GLU O 2 26 GLU H 2.000 . 2.500 6.704 6.340 7.220 4.720 10 10 [****-****+] 2
32 2 22 GLU O 2 26 GLU N 3.000 2.500 3.500 7.498 7.185 8.004 4.504 10 10 [****-****+] 2
33 2 21 GLU O 2 25 LEU H 2.000 . 2.500 4.478 4.154 4.897 2.397 7 10 [***-**+***] 2
34 2 21 GLU O 2 25 LEU N 3.000 2.500 3.500 5.167 4.793 5.560 2.060 7 10 [***-**+***] 2
35 2 20 ALA O 2 24 GLU H 2.000 . 2.500 2.408 1.912 2.803 0.303 8 0 "[ . 1]" 2
36 2 20 ALA O 2 24 GLU N 3.000 2.500 3.500 2.896 2.753 3.051 . 0 0 "[ . 1]" 2
37 2 19 ALA O 2 23 ALA H 2.000 . 2.500 4.232 3.820 4.627 2.127 5 10 [****+****-] 2
38 2 19 ALA O 2 23 ALA N 3.000 2.500 3.500 5.062 4.667 5.489 1.989 5 10 [****+****-] 2
39 2 14 ARG O 2 18 GLU H 2.000 . 2.500 1.861 1.787 2.048 . 0 0 "[ . 1]" 2
40 2 14 ARG O 2 18 GLU N 3.000 2.500 3.500 2.800 2.705 2.941 . 0 0 "[ . 1]" 2
41 2 13 GLN O 2 17 ASN H 2.000 . 2.500 1.933 1.840 2.076 . 0 0 "[ . 1]" 2
42 2 13 GLN O 2 17 ASN N 3.000 2.500 3.500 2.852 2.786 2.948 . 0 0 "[ . 1]" 2
43 2 12 LEU O 2 16 LYS H 2.000 . 2.500 2.057 1.947 2.187 . 0 0 "[ . 1]" 2
44 2 12 LEU O 2 16 LYS N 3.000 2.500 3.500 2.994 2.912 3.097 . 0 0 "[ . 1]" 2
45 2 11 GLU O 2 15 LEU H 2.000 . 2.500 1.869 1.738 2.117 . 0 0 "[ . 1]" 2
46 2 11 GLU O 2 15 LEU N 3.000 2.500 3.500 2.831 2.705 3.043 . 0 0 "[ . 1]" 2
47 2 10 ALA O 2 14 ARG H 2.000 . 2.500 1.858 1.775 1.938 . 0 0 "[ . 1]" 2
48 2 10 ALA O 2 14 ARG N 3.000 2.500 3.500 2.792 2.749 2.890 . 0 0 "[ . 1]" 2
49 2 9 ASP O 2 13 GLN H 2.000 . 2.500 2.186 1.917 2.502 0.002 7 0 "[ . 1]" 2
50 2 9 ASP O 2 13 GLN N 3.000 2.500 3.500 3.128 2.859 3.428 . 0 0 "[ . 1]" 2
51 2 8 ALA O 2 12 LEU H 2.000 . 2.500 2.004 1.843 2.328 . 0 0 "[ . 1]" 2
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