NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378853 |
1hn6   |
4787 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hn6
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 575
_Distance_constraint_stats_list.Viol_count 1692
_Distance_constraint_stats_list.Viol_total 11174.412
_Distance_constraint_stats_list.Viol_max 5.925
_Distance_constraint_stats_list.Viol_rms 0.2759
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0486
_Distance_constraint_stats_list.Viol_average_violations_only 0.3302
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.117 0.117 14 0 "[ . 1 . 2]"
1 2 VAL 0.189 0.117 14 0 "[ . 1 . 2]"
1 3 GLU 0.498 0.166 11 0 "[ . 1 . 2]"
1 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASN 5.010 0.282 8 0 "[ . 1 . 2]"
1 6 PHE 0.094 0.013 3 0 "[ . 1 . 2]"
1 7 PRO 0.282 0.076 18 0 "[ . 1 . 2]"
1 8 CYS 6.830 0.350 20 0 "[ . 1 . 2]"
1 9 SER 2.974 0.192 1 0 "[ . 1 . 2]"
1 10 LEU 96.976 3.829 13 20 [**********-*+*******]
1 11 TYR 0.452 0.102 17 0 "[ . 1 . 2]"
1 12 LYS 2.045 0.165 17 0 "[ . 1 . 2]"
1 13 ASP 16.193 0.978 20 18 "[******* *1********-+]"
1 14 GLU 16.633 0.978 20 18 "[******* *1********-+]"
1 15 ILE 79.909 5.925 9 20 [*-******+***********]
1 16 MET 12.019 1.164 18 9 "[ ** -1** ** + *]"
1 17 LYS 14.738 1.383 2 16 "[*+* ***-*** * .*****]"
1 18 GLU 0.784 0.156 1 0 "[ . 1 . 2]"
1 19 ILE 22.945 1.383 2 19 "[*+*****-***** ******]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 2.871 0.443 2 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.184 0.065 10 0 "[ . 1 . 2]"
1 24 LYS 2.510 0.313 1 0 "[ . 1 . 2]"
1 26 ILE 0.970 0.170 17 0 "[ . 1 . 2]"
1 27 LYS 0.970 0.170 17 0 "[ . 1 . 2]"
1 28 LEU 0.571 0.111 7 0 "[ . 1 . 2]"
1 29 ASN 0.348 0.084 13 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.432 0.094 13 0 "[ . 1 . 2]"
1 39 ILE 0.432 0.094 13 0 "[ . 1 . 2]"
1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 3.551 0.443 2 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 3.427 0.313 1 0 "[ . 1 . 2]"
1 44 ILE 0.237 0.078 19 0 "[ . 1 . 2]"
1 45 PHE 8.717 0.984 9 8 "[ * ** +1- *.* * 2]"
1 46 ILE 0.764 0.108 3 0 "[ . 1 . 2]"
1 47 SER 180.744 5.925 9 20 [********+*-*********]
1 48 ASP 1.505 0.164 20 0 "[ . 1 . 2]"
1 49 ASP 28.774 0.963 4 18 "[***+***-** ******* *]"
1 50 LYS 61.284 3.829 13 17 "[** ** *-****+*** ***]"
1 51 ASP 6.462 0.265 19 0 "[ . 1 . 2]"
1 52 SER 44.753 1.373 4 20 [***+**-*************]
1 53 LEU 2.370 0.192 8 0 "[ . 1 . 2]"
1 54 LYS 0.043 0.043 17 0 "[ . 1 . 2]"
1 55 CYS 94.191 2.779 9 20 [********+**-********]
1 56 PRO 0.977 0.197 8 0 "[ . 1 . 2]"
1 57 CYS 33.041 1.235 12 6 "[- . * 1*+ *. *2]"
1 58 ASP 7.892 1.235 12 5 "[- . 1*+ *. *2]"
1 60 GLU 15.540 0.917 12 14 "[ ***** *1*+ *.*-***]"
1 61 MET 18.757 0.790 6 11 "[** **+ **1 *.- * *]"
1 62 VAL 5.724 0.314 9 0 "[ . 1 . 2]"
1 63 SER 4.441 0.314 9 0 "[ . 1 . 2]"
1 64 ASN 1.390 0.131 11 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 3.651 0.205 17 0 "[ . 1 . 2]"
1 67 CYS 7.481 0.255 7 0 "[ . 1 . 2]"
1 68 ARG 4.455 0.169 4 0 "[ . 1 . 2]"
1 69 PHE 5.537 0.313 3 0 "[ . 1 . 2]"
1 70 PHE 26.774 0.790 6 16 "[****-+***** **.* * *]"
1 71 VAL 100.351 3.088 15 20 [**************+*-***]
1 72 CYS 1.777 0.197 8 0 "[ . 1 . 2]"
1 73 LYS 0.249 0.063 4 0 "[ . 1 . 2]"
1 74 CYS 1.133 0.318 9 0 "[ . 1 . 2]"
1 75 VAL 1.735 0.318 9 0 "[ . 1 . 2]"
1 76 GLU 0.511 0.125 19 0 "[ . 1 . 2]"
1 77 ARG 6.361 0.376 5 0 "[ . 1 . 2]"
1 78 ARG 6.041 0.389 5 0 "[ . 1 . 2]"
1 79 ALA 6.478 0.384 10 0 "[ . 1 . 2]"
1 80 GLU 0.022 0.022 18 0 "[ . 1 . 2]"
1 81 VAL 0.477 0.085 8 0 "[ . 1 . 2]"
1 82 THR 0.893 0.154 5 0 "[ . 1 . 2]"
1 83 SER 7.430 0.384 13 0 "[ . 1 . 2]"
1 84 ASN 0.709 0.204 9 0 "[ . 1 . 2]"
1 85 ASN 0.598 0.065 6 0 "[ . 1 . 2]"
1 86 GLU 0.001 0.001 15 0 "[ . 1 . 2]"
1 87 VAL 3.430 0.221 10 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.493 0.068 1 0 "[ . 1 . 2]"
1 90 LYS 0.386 0.068 1 0 "[ . 1 . 2]"
1 91 GLU 6.858 0.388 11 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 TYR 0.011 0.009 3 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.129 0.052 4 0 "[ . 1 . 2]"
1 97 TYR 8.882 0.664 10 8 "[ .** + *-*.* *2]"
1 98 ALA 14.824 0.664 10 12 "[ * *.** *+ *-*.* **]"
1 99 ASP 6.258 0.651 7 8 "[ * *. + *1 *.* *-]"
1 100 ILE 0.554 0.092 5 0 "[ . 1 . 2]"
1 101 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 THR 0.347 0.153 16 0 "[ . 1 . 2]"
1 107 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU H1 1 1 GLU HA 0.000 . 3.680 2.555 2.193 2.957 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLU H1 1 1 GLU QG 0.000 . 8.860 4.064 3.594 4.666 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLU H1 1 2 VAL H 0.000 . 5.070 3.789 1.918 4.542 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLU H1 1 2 VAL HB 0.000 . 6.540 5.912 4.040 6.657 0.117 14 0 "[ . 1 . 2]" 1
5 1 1 GLU QG 1 2 VAL H 0.000 . 8.950 3.449 2.206 5.062 . 0 0 "[ . 1 . 2]" 1
6 1 2 VAL H 1 2 VAL HB 0.000 . 3.680 2.838 2.496 3.189 . 0 0 "[ . 1 . 2]" 1
7 1 2 VAL HA 1 3 GLU H 0.000 . 3.410 2.382 2.139 3.483 0.073 15 0 "[ . 1 . 2]" 1
8 1 2 VAL QG 1 3 GLU H 0.000 . 9.090 2.696 1.968 3.782 . 0 0 "[ . 1 . 2]" 1
9 1 2 VAL QG 1 3 GLU HA 0.000 . 10.700 4.070 3.567 4.579 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL QG 1 3 GLU QB 0.000 . 12.580 3.855 3.051 4.821 . 0 0 "[ . 1 . 2]" 1
11 1 2 VAL QG 1 3 GLU QG 0.000 . 12.580 5.010 4.478 5.810 . 0 0 "[ . 1 . 2]" 1
12 1 2 VAL QG 1 4 ASN H 0.000 . 11.050 4.685 3.868 5.570 . 0 0 "[ . 1 . 2]" 1
13 1 2 VAL QG 1 4 ASN QB 0.000 . 12.580 4.670 2.419 6.336 . 0 0 "[ . 1 . 2]" 1
14 1 2 VAL QG 1 5 ASN H 0.000 . 11.360 4.831 3.456 6.322 . 0 0 "[ . 1 . 2]" 1
15 1 2 VAL QG 1 6 PHE H 0.000 . 9.460 7.060 5.984 8.335 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU HA 1 4 ASN H 0.000 . 3.370 2.229 2.099 2.420 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLU HA 1 4 ASN QB 0.000 . 7.730 4.124 3.946 4.209 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLU HA 1 5 ASN H 0.000 . 5.770 4.863 3.907 5.936 0.166 11 0 "[ . 1 . 2]" 1
19 1 3 GLU QB 1 5 ASN H 0.000 . 7.690 4.903 2.495 6.674 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLU QG 1 4 ASN H 0.000 . 8.950 2.757 1.945 3.325 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLU QG 1 5 ASN H 0.000 . 8.950 4.499 2.073 5.977 . 0 0 "[ . 1 . 2]" 1
22 1 5 ASN H 1 5 ASN HA 0.000 . 2.660 2.876 2.796 2.942 0.282 8 0 "[ . 1 . 2]" 1
23 1 5 ASN H 1 5 ASN HD21 0.000 . 6.190 4.675 3.023 5.356 . 0 0 "[ . 1 . 2]" 1
24 1 5 ASN H 1 5 ASN HD22 0.000 . 6.190 5.441 3.221 6.292 0.102 9 0 "[ . 1 . 2]" 1
25 1 5 ASN HA 1 6 PHE QB 0.000 . 7.410 4.360 3.918 5.048 . 0 0 "[ . 1 . 2]" 1
26 1 5 ASN QD 1 8 CYS HA 0.000 . 8.030 6.480 4.694 7.749 . 0 0 "[ . 1 . 2]" 1
27 1 5 ASN QD 1 8 CYS QB 0.000 . 8.050 5.762 4.608 7.065 . 0 0 "[ . 1 . 2]" 1
28 1 5 ASN HD21 1 8 CYS HB2 0.000 . 9.140 7.508 5.975 9.159 0.019 7 0 "[ . 1 . 2]" 1
29 1 5 ASN HD21 1 8 CYS HB3 0.000 . 9.140 7.690 5.765 9.206 0.066 17 0 "[ . 1 . 2]" 1
30 1 5 ASN HD22 1 8 CYS HB2 0.000 . 9.140 7.153 5.291 8.897 . 0 0 "[ . 1 . 2]" 1
31 1 5 ASN HD22 1 8 CYS HB3 0.000 . 9.140 7.379 5.067 9.144 0.004 19 0 "[ . 1 . 2]" 1
32 1 6 PHE H 1 6 PHE HA 0.000 . 2.930 2.918 2.832 2.943 0.013 3 0 "[ . 1 . 2]" 1
33 1 7 PRO HA 1 8 CYS H 0.000 . 2.710 2.165 2.098 2.283 . 0 0 "[ . 1 . 2]" 1
34 1 7 PRO HA 1 9 SER H 0.000 . 4.700 4.448 3.856 4.776 0.076 18 0 "[ . 1 . 2]" 1
35 1 7 PRO HA 1 10 LEU H 0.000 . 4.620 4.280 3.767 4.635 0.015 10 0 "[ . 1 . 2]" 1
36 1 7 PRO QB 1 9 SER H 0.000 . 6.540 4.217 3.561 4.890 . 0 0 "[ . 1 . 2]" 1
37 1 7 PRO QB 1 10 LEU H 0.000 . 7.410 2.852 2.338 3.626 . 0 0 "[ . 1 . 2]" 1
38 1 7 PRO QB 1 11 TYR H 0.000 . 7.000 2.935 2.330 3.674 . 0 0 "[ . 1 . 2]" 1
39 1 7 PRO HD2 1 8 CYS H 0.000 . 6.710 5.515 5.067 5.703 . 0 0 "[ . 1 . 2]" 1
40 1 7 PRO HD3 1 8 CYS H 0.000 . 6.710 5.504 5.196 5.766 . 0 0 "[ . 1 . 2]" 1
41 1 7 PRO QG 1 8 CYS H 0.000 . 6.020 4.708 4.420 4.864 . 0 0 "[ . 1 . 2]" 1
42 1 7 PRO QG 1 9 SER H 0.000 . 6.720 5.986 5.434 6.651 . 0 0 "[ . 1 . 2]" 1
43 1 7 PRO QG 1 10 LEU H 0.000 . 7.080 4.665 3.800 5.558 . 0 0 "[ . 1 . 2]" 1
44 1 7 PRO QG 1 11 TYR H 0.000 . 7.000 4.214 2.933 5.678 . 0 0 "[ . 1 . 2]" 1
45 1 8 CYS H 1 8 CYS HB2 0.000 . 3.310 2.832 2.200 3.547 0.237 6 0 "[ . 1 . 2]" 1
46 1 8 CYS H 1 8 CYS QB 0.000 . 3.010 2.584 2.174 2.953 . 0 0 "[ . 1 . 2]" 1
47 1 8 CYS H 1 8 CYS HB3 0.000 . 3.310 3.298 2.390 3.660 0.350 20 0 "[ . 1 . 2]" 1
48 1 8 CYS H 1 9 SER H 0.000 . 3.310 2.812 2.418 3.112 . 0 0 "[ . 1 . 2]" 1
49 1 8 CYS H 1 10 LEU H 0.000 . 4.570 3.721 3.239 4.201 . 0 0 "[ . 1 . 2]" 1
50 1 8 CYS H 1 11 TYR H 0.000 . 6.040 4.476 3.987 4.855 . 0 0 "[ . 1 . 2]" 1
51 1 8 CYS H 1 11 TYR QD 0.000 . 9.710 6.550 6.178 6.898 . 0 0 "[ . 1 . 2]" 1
52 1 8 CYS HA 1 9 SER H 0.000 . 4.040 3.599 3.554 3.623 . 0 0 "[ . 1 . 2]" 1
53 1 8 CYS HA 1 10 LEU H 0.000 . 4.660 4.589 4.372 4.759 0.099 3 0 "[ . 1 . 2]" 1
54 1 8 CYS HA 1 11 TYR H 0.000 . 4.040 3.970 3.669 4.142 0.102 17 0 "[ . 1 . 2]" 1
55 1 8 CYS HA 1 11 TYR QB 0.000 . 8.040 3.429 2.900 3.688 . 0 0 "[ . 1 . 2]" 1
56 1 8 CYS HA 1 12 LYS H 0.000 . 4.500 4.580 4.516 4.665 0.165 17 0 "[ . 1 . 2]" 1
57 1 8 CYS QB 1 9 SER H 0.000 . 3.730 2.401 1.931 3.103 . 0 0 "[ . 1 . 2]" 1
58 1 8 CYS QB 1 10 LEU QB 0.000 . 7.740 5.944 5.377 6.386 . 0 0 "[ . 1 . 2]" 1
59 1 8 CYS QB 1 10 LEU HG 0.000 . 6.020 5.700 4.828 6.168 0.148 6 0 "[ . 1 . 2]" 1
60 1 8 CYS HB2 1 9 SER H 0.000 . 4.100 2.686 1.941 3.713 . 0 0 "[ . 1 . 2]" 1
61 1 8 CYS HB3 1 9 SER H 0.000 . 4.100 3.364 2.073 4.077 . 0 0 "[ . 1 . 2]" 1
62 1 9 SER H 1 10 LEU H 0.000 . 3.350 2.475 2.114 2.688 . 0 0 "[ . 1 . 2]" 1
63 1 9 SER H 1 11 TYR H 0.000 . 4.760 3.992 3.674 4.130 . 0 0 "[ . 1 . 2]" 1
64 1 9 SER H 1 11 TYR QD 0.000 . 9.710 7.000 6.578 7.242 . 0 0 "[ . 1 . 2]" 1
65 1 9 SER H 1 12 LYS H 0.000 . 6.240 4.627 4.419 5.009 . 0 0 "[ . 1 . 2]" 1
66 1 9 SER H 1 48 ASP O 0.000 . 2.300 2.289 1.920 2.464 0.164 20 0 "[ . 1 . 2]" 1
67 1 9 SER HA 1 50 LYS H 0.000 . 6.000 6.034 5.465 6.192 0.192 1 0 "[ . 1 . 2]" 1
68 1 9 SER QB 1 11 TYR H 0.000 . 7.550 4.646 4.457 4.993 . 0 0 "[ . 1 . 2]" 1
69 1 9 SER QB 1 13 ASP H 0.000 . 6.300 4.768 4.358 5.587 . 0 0 "[ . 1 . 2]" 1
70 1 9 SER QB 1 51 ASP H 0.000 . 7.000 4.021 3.364 4.539 . 0 0 "[ . 1 . 2]" 1
71 1 9 SER N 1 48 ASP O 0.000 . 3.300 3.010 2.774 3.243 . 0 0 "[ . 1 . 2]" 1
72 1 10 LEU H 1 10 LEU HG 0.000 . 3.230 2.194 1.755 2.766 . 0 0 "[ . 1 . 2]" 1
73 1 10 LEU H 1 11 TYR QD 0.000 . 9.710 6.211 5.974 6.370 . 0 0 "[ . 1 . 2]" 1
74 1 10 LEU H 1 12 LYS H 0.000 . 5.000 3.774 3.456 4.144 . 0 0 "[ . 1 . 2]" 1
75 1 10 LEU H 1 50 LYS QE 0.000 . 7.000 9.042 5.995 10.829 3.829 13 17 "[** ** ****-*+*** ***]" 1
76 1 10 LEU HA 1 12 LYS H 0.000 . 4.060 4.055 3.898 4.154 0.094 12 0 "[ . 1 . 2]" 1
77 1 10 LEU HA 1 13 ASP H 0.000 . 5.490 3.771 3.316 4.079 . 0 0 "[ . 1 . 2]" 1
78 1 10 LEU QB 1 11 TYR H 0.000 . 5.030 2.978 2.766 3.797 . 0 0 "[ . 1 . 2]" 1
79 1 10 LEU QB 1 11 TYR HA 0.000 . 8.040 4.059 3.947 4.622 . 0 0 "[ . 1 . 2]" 1
80 1 10 LEU QB 1 13 ASP H 0.000 . 5.300 5.242 4.790 5.468 0.168 11 0 "[ . 1 . 2]" 1
81 1 10 LEU QB 1 50 LYS H 0.000 . 7.000 6.508 5.278 7.006 0.006 13 0 "[ . 1 . 2]" 1
82 1 10 LEU QD 1 11 TYR H 0.000 . 10.360 4.095 3.198 4.264 . 0 0 "[ . 1 . 2]" 1
83 1 10 LEU QD 1 11 TYR QB 0.000 . 11.580 4.838 3.255 5.137 . 0 0 "[ . 1 . 2]" 1
84 1 10 LEU QD 1 13 ASP H 0.000 . 10.360 5.013 4.504 5.553 . 0 0 "[ . 1 . 2]" 1
85 1 10 LEU QD 1 47 SER H 0.000 . 6.300 4.381 3.721 6.311 0.011 17 0 "[ . 1 . 2]" 1
86 1 10 LEU HG 1 11 TYR H 0.000 . 6.710 4.214 2.891 4.791 . 0 0 "[ . 1 . 2]" 1
87 1 10 LEU HG 1 47 SER H 0.000 . 3.900 6.561 5.649 7.691 3.791 17 20 [****************+*-*] 1
88 1 10 LEU HG 1 48 ASP H 0.000 . 5.500 5.365 4.892 5.650 0.150 3 0 "[ . 1 . 2]" 1
89 1 10 LEU HG 1 49 ASP H 0.000 . 6.510 4.828 4.074 6.126 . 0 0 "[ . 1 . 2]" 1
90 1 11 TYR H 1 12 LYS H 0.000 . 3.310 2.132 2.053 2.262 . 0 0 "[ . 1 . 2]" 1
91 1 11 TYR HA 1 13 ASP H 0.000 . 5.790 4.463 3.623 4.797 . 0 0 "[ . 1 . 2]" 1
92 1 11 TYR QD 1 12 LYS H 0.000 . 8.720 4.405 3.922 4.741 . 0 0 "[ . 1 . 2]" 1
93 1 11 TYR QD 1 13 ASP H 0.000 . 9.710 6.052 5.478 6.394 . 0 0 "[ . 1 . 2]" 1
94 1 12 LYS H 1 12 LYS HA 0.000 . 3.060 2.840 2.772 2.894 . 0 0 "[ . 1 . 2]" 1
95 1 12 LYS H 1 12 LYS QE 0.000 . 6.000 4.327 3.710 5.728 . 0 0 "[ . 1 . 2]" 1
96 1 12 LYS H 1 13 ASP H 0.000 . 3.670 2.640 2.408 2.873 . 0 0 "[ . 1 . 2]" 1
97 1 12 LYS QG 1 13 ASP H 0.000 . 8.750 3.452 2.801 4.362 . 0 0 "[ . 1 . 2]" 1
98 1 13 ASP H 1 13 ASP HB2 0.000 . 3.490 3.085 2.694 3.373 . 0 0 "[ . 1 . 2]" 1
99 1 13 ASP H 1 13 ASP QB 0.000 . 3.230 2.825 2.512 3.027 . 0 0 "[ . 1 . 2]" 1
100 1 13 ASP H 1 13 ASP HB3 0.000 . 3.490 3.302 3.003 3.669 0.179 10 0 "[ . 1 . 2]" 1
101 1 13 ASP H 1 14 GLU H 0.000 . 3.400 4.179 3.611 4.378 0.978 20 18 "[******* *1********-+]" 1
102 1 13 ASP QB 1 14 GLU H 0.000 . 3.710 2.155 1.240 2.811 . 0 0 "[ . 1 . 2]" 1
103 1 13 ASP HB2 1 14 GLU H 0.000 . 4.010 3.467 2.894 3.757 . 0 0 "[ . 1 . 2]" 1
104 1 13 ASP HB3 1 14 GLU H 0.000 . 4.010 2.182 1.242 2.918 . 0 0 "[ . 1 . 2]" 1
105 1 14 GLU H 1 14 GLU HA 0.000 . 2.790 2.838 2.748 2.907 0.117 9 0 "[ . 1 . 2]" 1
106 1 14 GLU H 1 14 GLU HB2 0.000 . 3.400 2.320 2.130 2.910 . 0 0 "[ . 1 . 2]" 1
107 1 14 GLU H 1 14 GLU QB 0.000 . 3.020 2.182 2.082 2.268 . 0 0 "[ . 1 . 2]" 1
108 1 14 GLU H 1 14 GLU HB3 0.000 . 3.400 2.772 2.366 2.931 . 0 0 "[ . 1 . 2]" 1
109 1 14 GLU H 1 14 GLU QG 0.000 . 4.010 3.935 3.760 4.052 0.042 3 0 "[ . 1 . 2]" 1
110 1 14 GLU QB 1 15 ILE H 0.000 . 4.710 3.232 2.385 4.024 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLU QB 1 16 MET H 0.000 . 6.000 5.220 4.932 5.959 . 0 0 "[ . 1 . 2]" 1
112 1 15 ILE H 1 15 ILE HB 0.000 . 3.100 2.915 2.726 3.172 0.072 10 0 "[ . 1 . 2]" 1
113 1 15 ILE H 1 16 MET H 0.000 . 4.350 4.397 4.297 4.485 0.135 3 0 "[ . 1 . 2]" 1
114 1 15 ILE HB 1 16 MET H 0.000 . 4.050 4.117 3.950 4.189 0.139 9 0 "[ . 1 . 2]" 1
115 1 15 ILE MD 1 48 ASP H 0.000 . 7.560 7.074 6.397 7.611 0.051 9 0 "[ . 1 . 2]" 1
116 1 15 ILE MG 1 16 MET H 0.000 . 7.040 4.045 3.629 4.271 . 0 0 "[ . 1 . 2]" 1
117 1 15 ILE MG 1 17 LYS H 0.000 . 8.160 3.157 2.043 3.800 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE MG 1 18 GLU H 0.000 . 7.050 2.689 2.015 3.221 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE MG 1 47 SER H 0.000 . 4.950 8.762 6.763 10.875 5.925 9 20 [*-******+***********] 1
120 1 15 ILE O 1 18 GLU H 0.000 . 2.300 2.269 2.121 2.456 0.156 1 0 "[ . 1 . 2]" 1
121 1 15 ILE O 1 18 GLU N 0.000 . 3.300 3.174 3.036 3.394 0.094 8 0 "[ . 1 . 2]" 1
122 1 16 MET H 1 16 MET HA 0.000 . 3.020 2.822 2.793 2.857 . 0 0 "[ . 1 . 2]" 1
123 1 16 MET H 1 17 LYS H 0.000 . 3.540 2.726 2.606 2.855 . 0 0 "[ . 1 . 2]" 1
124 1 16 MET ME 1 51 ASP HA 0.000 . 5.500 4.260 2.161 5.564 0.064 9 0 "[ . 1 . 2]" 1
125 1 16 MET QG 1 17 LYS H 0.000 . 8.040 4.364 3.577 4.678 . 0 0 "[ . 1 . 2]" 1
126 1 16 MET QG 1 18 GLU H 0.000 . 6.050 5.109 4.493 5.563 . 0 0 "[ . 1 . 2]" 1
127 1 16 MET QG 1 19 ILE H 0.000 . 7.000 7.101 4.534 8.164 1.164 18 9 "[ ** -1** ** + *]" 1
128 1 16 MET QG 1 51 ASP HA 0.000 . 7.000 4.293 2.682 7.075 0.075 9 0 "[ . 1 . 2]" 1
129 1 17 LYS H 1 17 LYS HA 0.000 . 2.790 2.853 2.788 2.886 0.096 12 0 "[ . 1 . 2]" 1
130 1 17 LYS H 1 17 LYS HB2 0.000 . 3.100 2.558 2.187 2.907 . 0 0 "[ . 1 . 2]" 1
131 1 17 LYS H 1 17 LYS QB 0.000 . 2.790 2.250 2.126 2.314 . 0 0 "[ . 1 . 2]" 1
132 1 17 LYS H 1 17 LYS HB3 0.000 . 3.100 2.577 2.186 3.126 0.026 10 0 "[ . 1 . 2]" 1
133 1 17 LYS H 1 19 ILE H 0.000 . 4.160 4.697 4.438 4.975 0.815 10 15 "[** *****+* * .****-]" 1
134 1 17 LYS HA 1 18 GLU H 0.000 . 3.670 3.419 3.282 3.535 . 0 0 "[ . 1 . 2]" 1
135 1 17 LYS QB 1 18 GLU H 0.000 . 3.710 3.005 2.524 3.290 . 0 0 "[ . 1 . 2]" 1
136 1 17 LYS QB 1 19 ILE H 0.000 . 4.150 3.688 2.525 5.533 1.383 2 3 "[ +* . - 1 . 2]" 1
137 1 17 LYS QD 1 18 GLU H 0.000 . 6.690 4.742 4.417 5.347 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLU QG 1 19 ILE H 0.000 . 6.320 3.873 1.945 4.667 . 0 0 "[ . 1 . 2]" 1
139 1 19 ILE HB 1 20 GLU H 0.000 . 6.340 4.146 3.451 4.651 . 0 0 "[ . 1 . 2]" 1
140 1 19 ILE MD 1 21 ARG H 0.000 . 9.070 5.016 2.758 6.829 . 0 0 "[ . 1 . 2]" 1
141 1 19 ILE MD 1 22 GLU H 0.000 . 9.170 6.555 3.894 8.448 . 0 0 "[ . 1 . 2]" 1
142 1 19 ILE MD 1 23 SER H 0.000 . 8.200 6.651 3.246 8.265 0.065 10 0 "[ . 1 . 2]" 1
143 1 20 GLU H 1 20 GLU QB 0.000 . 3.830 2.220 2.088 2.328 . 0 0 "[ . 1 . 2]" 1
144 1 20 GLU H 1 20 GLU HG2 0.000 . 5.020 4.510 4.100 4.694 . 0 0 "[ . 1 . 2]" 1
145 1 20 GLU H 1 20 GLU HG3 0.000 . 5.020 4.498 4.167 4.750 . 0 0 "[ . 1 . 2]" 1
146 1 21 ARG H 1 21 ARG HE 0.000 . 7.720 5.435 3.838 6.894 . 0 0 "[ . 1 . 2]" 1
147 1 21 ARG H 1 21 ARG HG2 0.000 . 4.990 4.621 4.359 4.841 . 0 0 "[ . 1 . 2]" 1
148 1 21 ARG H 1 21 ARG QG 0.000 . 4.280 4.065 3.897 4.161 . 0 0 "[ . 1 . 2]" 1
149 1 21 ARG H 1 21 ARG HG3 0.000 . 4.990 4.519 4.230 4.811 . 0 0 "[ . 1 . 2]" 1
150 1 21 ARG H 1 41 ALA H 0.000 . 3.500 3.644 3.521 3.943 0.443 2 0 "[ . 1 . 2]" 1
151 1 21 ARG HA 1 22 GLU H 0.000 . 4.590 2.789 2.166 3.433 . 0 0 "[ . 1 . 2]" 1
152 1 21 ARG QB 1 23 SER H 0.000 . 7.780 4.502 3.284 5.730 . 0 0 "[ . 1 . 2]" 1
153 1 21 ARG QD 1 22 GLU H 0.000 . 8.050 4.000 1.836 5.803 . 0 0 "[ . 1 . 2]" 1
154 1 21 ARG QD 1 41 ALA H 0.000 . 8.950 5.893 4.048 7.835 . 0 0 "[ . 1 . 2]" 1
155 1 21 ARG QG 1 22 GLU H 0.000 . 5.860 2.459 1.720 4.295 . 0 0 "[ . 1 . 2]" 1
156 1 21 ARG QG 1 41 ALA H 0.000 . 8.050 5.494 2.882 6.786 . 0 0 "[ . 1 . 2]" 1
157 1 22 GLU H 1 22 GLU HB2 0.000 . 4.320 2.402 2.222 2.885 . 0 0 "[ . 1 . 2]" 1
158 1 22 GLU H 1 22 GLU QB 0.000 . 3.840 2.207 2.056 2.302 . 0 0 "[ . 1 . 2]" 1
159 1 22 GLU H 1 22 GLU HB3 0.000 . 4.320 2.706 2.105 2.886 . 0 0 "[ . 1 . 2]" 1
160 1 22 GLU H 1 22 GLU HG2 0.000 . 5.510 4.448 4.239 4.665 . 0 0 "[ . 1 . 2]" 1
161 1 22 GLU H 1 22 GLU QG 0.000 . 5.090 3.936 3.835 4.096 . 0 0 "[ . 1 . 2]" 1
162 1 22 GLU H 1 22 GLU HG3 0.000 . 5.510 4.406 4.202 4.633 . 0 0 "[ . 1 . 2]" 1
163 1 22 GLU HA 1 23 SER H 0.000 . 4.680 2.627 2.175 3.559 . 0 0 "[ . 1 . 2]" 1
164 1 22 GLU QB 1 23 SER H 0.000 . 4.590 3.455 1.864 4.011 . 0 0 "[ . 1 . 2]" 1
165 1 22 GLU QB 1 24 LYS H 0.000 . 7.690 3.891 2.328 5.240 . 0 0 "[ . 1 . 2]" 1
166 1 22 GLU HB2 1 23 SER H 0.000 . 5.280 4.261 3.335 4.640 . 0 0 "[ . 1 . 2]" 1
167 1 22 GLU HB3 1 23 SER H 0.000 . 5.280 3.717 1.874 4.619 . 0 0 "[ . 1 . 2]" 1
168 1 22 GLU QG 1 23 SER H 0.000 . 7.310 3.413 1.798 4.432 . 0 0 "[ . 1 . 2]" 1
169 1 22 GLU HG2 1 23 SER H 0.000 . 7.680 3.739 1.804 5.768 . 0 0 "[ . 1 . 2]" 1
170 1 22 GLU HG3 1 23 SER H 0.000 . 7.680 4.438 1.984 5.578 . 0 0 "[ . 1 . 2]" 1
171 1 23 SER H 1 24 LYS H 0.000 . 4.110 2.484 2.055 2.998 . 0 0 "[ . 1 . 2]" 1
172 1 23 SER HA 1 24 LYS H 0.000 . 3.800 3.258 3.093 3.551 . 0 0 "[ . 1 . 2]" 1
173 1 23 SER QB 1 24 LYS H 0.000 . 6.120 3.472 2.601 3.719 . 0 0 "[ . 1 . 2]" 1
174 1 24 LYS H 1 43 ARG H 0.000 . 5.630 4.694 3.080 5.830 0.200 10 0 "[ . 1 . 2]" 1
175 1 24 LYS HA 1 43 ARG H 0.000 . 3.800 3.909 3.768 4.113 0.313 1 0 "[ . 1 . 2]" 1
176 1 24 LYS QB 1 43 ARG H 0.000 . 7.380 4.112 1.570 5.789 . 0 0 "[ . 1 . 2]" 1
177 1 26 ILE H 1 26 ILE HB 0.000 . 3.720 2.942 2.544 3.209 . 0 0 "[ . 1 . 2]" 1
178 1 26 ILE H 1 26 ILE HG12 0.000 . 4.950 4.604 4.354 4.821 . 0 0 "[ . 1 . 2]" 1
179 1 26 ILE H 1 26 ILE HG13 0.000 . 4.950 4.384 4.298 4.627 . 0 0 "[ . 1 . 2]" 1
180 1 26 ILE H 1 27 LYS H 0.000 . 4.360 4.379 4.138 4.530 0.170 17 0 "[ . 1 . 2]" 1
181 1 26 ILE HA 1 27 LYS H 0.000 . 3.410 2.145 2.081 2.328 . 0 0 "[ . 1 . 2]" 1
182 1 26 ILE HB 1 27 LYS H 0.000 . 6.330 4.155 4.042 4.429 . 0 0 "[ . 1 . 2]" 1
183 1 26 ILE MD 1 27 LYS H 0.000 . 6.250 3.481 2.180 4.612 . 0 0 "[ . 1 . 2]" 1
184 1 26 ILE QG 1 27 LYS H 0.000 . 8.860 2.627 2.033 3.286 . 0 0 "[ . 1 . 2]" 1
185 1 26 ILE MG 1 27 LYS H 0.000 . 6.510 4.069 3.015 4.317 . 0 0 "[ . 1 . 2]" 1
186 1 27 LYS QB 1 28 LEU H 0.000 . 6.430 3.238 1.420 4.018 . 0 0 "[ . 1 . 2]" 1
187 1 27 LYS QB 1 29 ASN H 0.000 . 7.910 5.281 3.360 6.679 . 0 0 "[ . 1 . 2]" 1
188 1 27 LYS QE 1 28 LEU H 0.000 . 8.950 4.937 2.576 6.605 . 0 0 "[ . 1 . 2]" 1
189 1 28 LEU H 1 28 LEU HG 0.000 . 4.500 3.301 1.387 4.611 0.111 7 0 "[ . 1 . 2]" 1
190 1 28 LEU H 1 29 ASN QB 0.000 . 6.910 5.052 3.545 6.006 . 0 0 "[ . 1 . 2]" 1
191 1 28 LEU HA 1 29 ASN H 0.000 . 3.410 2.766 2.146 3.494 0.084 13 0 "[ . 1 . 2]" 1
192 1 28 LEU QB 1 29 ASN H 0.000 . 5.860 2.946 1.247 3.972 . 0 0 "[ . 1 . 2]" 1
193 1 28 LEU QD 1 29 ASN H 0.000 . 9.200 3.379 2.471 4.568 . 0 0 "[ . 1 . 2]" 1
194 1 34 GLU H 1 34 GLU HG2 0.000 . 5.110 4.523 4.299 4.865 . 0 0 "[ . 1 . 2]" 1
195 1 34 GLU H 1 34 GLU QG 0.000 . 4.670 4.030 3.784 4.285 . 0 0 "[ . 1 . 2]" 1
196 1 34 GLU H 1 34 GLU HG3 0.000 . 5.110 4.548 4.200 5.071 . 0 0 "[ . 1 . 2]" 1
197 1 34 GLU H 1 35 GLY QA 0.000 . 7.860 4.636 3.498 5.248 . 0 0 "[ . 1 . 2]" 1
198 1 34 GLU QG 1 35 GLY H 0.000 . 6.610 3.388 2.259 4.552 . 0 0 "[ . 1 . 2]" 1
199 1 34 GLU HG2 1 35 GLY H 0.000 . 7.120 3.745 2.282 5.391 . 0 0 "[ . 1 . 2]" 1
200 1 34 GLU HG3 1 35 GLY H 0.000 . 7.120 4.285 2.457 5.627 . 0 0 "[ . 1 . 2]" 1
201 1 35 GLY H 1 36 ASN H 0.000 . 5.710 3.506 1.698 4.617 . 0 0 "[ . 1 . 2]" 1
202 1 35 GLY QA 1 36 ASN H 0.000 . 4.270 2.410 2.114 2.870 . 0 0 "[ . 1 . 2]" 1
203 1 37 LYS H 1 37 LYS QD 0.000 . 5.770 4.569 3.726 5.176 . 0 0 "[ . 1 . 2]" 1
204 1 38 LYS H 1 38 LYS QD 0.000 . 5.680 4.606 4.024 5.062 . 0 0 "[ . 1 . 2]" 1
205 1 38 LYS H 1 39 ILE HB 0.000 . 5.380 5.112 4.757 5.437 0.057 11 0 "[ . 1 . 2]" 1
206 1 38 LYS H 1 39 ILE HG12 0.000 . 7.720 7.636 7.262 7.814 0.094 13 0 "[ . 1 . 2]" 1
207 1 38 LYS H 1 39 ILE HG13 0.000 . 7.720 7.373 6.429 7.735 0.015 3 0 "[ . 1 . 2]" 1
208 1 39 ILE H 1 39 ILE HB 0.000 . 3.640 3.002 2.576 3.349 . 0 0 "[ . 1 . 2]" 1
209 1 39 ILE H 1 39 ILE HG12 0.000 . 5.320 4.814 4.623 5.031 . 0 0 "[ . 1 . 2]" 1
210 1 39 ILE H 1 39 ILE QG 0.000 . 4.970 4.102 3.955 4.271 . 0 0 "[ . 1 . 2]" 1
211 1 39 ILE H 1 39 ILE HG13 0.000 . 5.320 4.449 4.272 4.618 . 0 0 "[ . 1 . 2]" 1
212 1 39 ILE H 1 40 ILE H 0.000 . 5.550 4.402 3.864 4.593 . 0 0 "[ . 1 . 2]" 1
213 1 39 ILE MG 1 41 ALA H 0.000 . 8.940 5.140 4.392 6.223 . 0 0 "[ . 1 . 2]" 1
214 1 40 ILE H 1 40 ILE HB 0.000 . 3.800 3.007 2.416 3.600 . 0 0 "[ . 1 . 2]" 1
215 1 40 ILE H 1 40 ILE HG12 0.000 . 5.150 4.832 4.460 5.136 . 0 0 "[ . 1 . 2]" 1
216 1 40 ILE H 1 40 ILE HG13 0.000 . 5.150 4.453 4.116 4.838 . 0 0 "[ . 1 . 2]" 1
217 1 40 ILE HA 1 41 ALA H 0.000 . 3.370 2.281 2.125 2.459 . 0 0 "[ . 1 . 2]" 1
218 1 40 ILE QG 1 41 ALA H 0.000 . 8.950 2.208 1.632 2.942 . 0 0 "[ . 1 . 2]" 1
219 1 40 ILE QG 1 43 ARG H 0.000 . 8.950 5.691 5.006 6.960 . 0 0 "[ . 1 . 2]" 1
220 1 40 ILE MG 1 41 ALA H 0.000 . 5.720 3.646 2.956 4.264 . 0 0 "[ . 1 . 2]" 1
221 1 40 ILE MG 1 43 ARG H 0.000 . 8.290 6.271 4.420 7.577 . 0 0 "[ . 1 . 2]" 1
222 1 41 ALA H 1 42 PRO QD 0.000 . 8.950 4.166 3.700 4.404 . 0 0 "[ . 1 . 2]" 1
223 1 41 ALA HA 1 43 ARG H 0.000 . 5.240 4.483 3.314 5.512 0.272 14 0 "[ . 1 . 2]" 1
224 1 43 ARG H 1 44 ILE H 0.000 . 4.500 4.328 3.983 4.578 0.078 19 0 "[ . 1 . 2]" 1
225 1 43 ARG H 1 45 PHE QE 0.000 . 10.700 6.920 4.573 9.369 . 0 0 "[ . 1 . 2]" 1
226 1 43 ARG QD 1 44 ILE H 0.000 . 8.950 4.375 2.661 5.343 . 0 0 "[ . 1 . 2]" 1
227 1 44 ILE H 1 44 ILE HB 0.000 . 3.800 2.828 2.268 3.661 . 0 0 "[ . 1 . 2]" 1
228 1 44 ILE H 1 45 PHE QE 0.000 . 9.890 6.576 5.313 7.321 . 0 0 "[ . 1 . 2]" 1
229 1 44 ILE HB 1 45 PHE H 0.000 . 4.900 3.774 2.356 4.374 . 0 0 "[ . 1 . 2]" 1
230 1 44 ILE MG 1 45 PHE H 0.000 . 6.100 2.862 1.501 4.087 . 0 0 "[ . 1 . 2]" 1
231 1 45 PHE H 1 47 SER H 0.000 . 5.620 5.865 4.681 6.604 0.984 9 8 "[ * ** +1- *.* * 2]" 1
232 1 45 PHE HA 1 46 ILE H 0.000 . 3.030 2.299 2.150 2.356 . 0 0 "[ . 1 . 2]" 1
233 1 45 PHE QB 1 46 ILE H 0.000 . 3.090 2.639 2.505 3.068 . 0 0 "[ . 1 . 2]" 1
234 1 45 PHE QB 1 48 ASP H 0.000 . 7.080 5.905 5.221 6.381 . 0 0 "[ . 1 . 2]" 1
235 1 45 PHE HB2 1 46 ILE H 0.000 . 3.400 3.111 2.569 3.508 0.108 3 0 "[ . 1 . 2]" 1
236 1 45 PHE HB2 1 47 SER H 0.000 . 4.570 3.620 2.447 4.621 0.051 18 0 "[ . 1 . 2]" 1
237 1 45 PHE HB3 1 46 ILE H 0.000 . 3.400 3.073 2.598 3.478 0.078 20 0 "[ . 1 . 2]" 1
238 1 45 PHE HB3 1 47 SER H 0.000 . 4.570 3.995 2.943 4.659 0.089 7 0 "[ . 1 . 2]" 1
239 1 45 PHE QE 1 46 ILE H 0.000 . 7.630 6.446 6.239 6.841 . 0 0 "[ . 1 . 2]" 1
240 1 45 PHE QE 1 47 SER H 0.000 . 9.690 7.096 5.150 7.935 . 0 0 "[ . 1 . 2]" 1
241 1 47 SER H 1 47 SER HB2 0.000 . 4.180 2.932 2.490 3.452 . 0 0 "[ . 1 . 2]" 1
242 1 47 SER H 1 47 SER HB3 0.000 . 4.180 3.473 2.413 3.807 . 0 0 "[ . 1 . 2]" 1
243 1 47 SER H 1 70 PHE H 0.000 . 4.610 4.775 4.666 4.844 0.234 14 0 "[ . 1 . 2]" 1
244 1 47 SER H 1 70 PHE QD 0.000 . 8.100 4.019 3.222 5.269 . 0 0 "[ . 1 . 2]" 1
245 1 47 SER HA 1 71 VAL H 0.000 . 5.600 7.565 6.507 8.688 3.088 15 20 [************-*+*****] 1
246 1 47 SER QB 1 48 ASP H 0.000 . 4.020 3.054 2.419 3.455 . 0 0 "[ . 1 . 2]" 1
247 1 47 SER HB2 1 48 ASP H 0.000 . 4.100 3.710 3.083 4.106 0.006 12 0 "[ . 1 . 2]" 1
248 1 47 SER HB2 1 49 ASP H 0.000 . 3.620 3.135 2.196 3.821 0.201 8 0 "[ . 1 . 2]" 1
249 1 47 SER HB3 1 48 ASP H 0.000 . 4.100 3.330 2.451 3.864 . 0 0 "[ . 1 . 2]" 1
250 1 47 SER HB3 1 49 ASP H 0.000 . 3.620 3.292 2.631 3.716 0.096 10 0 "[ . 1 . 2]" 1
251 1 48 ASP H 1 48 ASP HA 0.000 . 3.030 2.837 2.769 2.935 . 0 0 "[ . 1 . 2]" 1
252 1 48 ASP H 1 49 ASP H 0.000 . 3.020 2.602 2.327 2.934 . 0 0 "[ . 1 . 2]" 1
253 1 48 ASP H 1 70 PHE QD 0.000 . 7.800 5.341 3.388 6.951 . 0 0 "[ . 1 . 2]" 1
254 1 48 ASP QB 1 49 ASP H 0.000 . 5.340 3.087 2.590 4.011 . 0 0 "[ . 1 . 2]" 1
255 1 49 ASP H 1 49 ASP HB2 0.000 . 3.310 3.153 2.854 3.371 0.061 3 0 "[ . 1 . 2]" 1
256 1 49 ASP H 1 49 ASP QB 0.000 . 3.430 2.640 2.530 2.713 . 0 0 "[ . 1 . 2]" 1
257 1 49 ASP H 1 49 ASP HB3 0.000 . 3.510 2.849 2.713 3.008 . 0 0 "[ . 1 . 2]" 1
258 1 49 ASP H 1 50 LYS QZ 0.000 . 8.030 6.139 3.421 8.733 0.703 18 1 "[ . 1 . + 2]" 1
259 1 49 ASP H 1 52 SER H 0.000 . 5.410 6.147 5.821 6.373 0.963 4 18 "[***+**-*** ******* *]" 1
260 1 49 ASP H 1 70 PHE QD 0.000 . 8.300 5.756 4.347 6.999 . 0 0 "[ . 1 . 2]" 1
261 1 49 ASP HA 1 50 LYS H 0.000 . 2.590 2.190 2.078 2.329 . 0 0 "[ . 1 . 2]" 1
262 1 49 ASP HA 1 51 ASP H 0.000 . 4.070 3.657 3.204 4.125 0.055 20 0 "[ . 1 . 2]" 1
263 1 49 ASP HB2 1 50 LYS H 0.000 . 3.920 4.157 3.876 4.416 0.496 4 0 "[ . 1 . 2]" 1
264 1 49 ASP HB3 1 50 LYS H 0.000 . 3.620 3.956 3.703 4.257 0.637 4 4 "[ +* - 1 * . 2]" 1
265 1 50 LYS H 1 50 LYS HA 0.000 . 2.990 2.946 2.938 2.958 . 0 0 "[ . 1 . 2]" 1
266 1 50 LYS H 1 50 LYS QE 0.000 . 6.150 5.113 3.864 6.234 0.084 18 0 "[ . 1 . 2]" 1
267 1 50 LYS H 1 50 LYS HG2 0.000 . 4.760 4.841 4.463 4.985 0.225 5 0 "[ . 1 . 2]" 1
268 1 50 LYS H 1 50 LYS QG 0.000 . 4.170 4.176 3.716 4.300 0.130 5 0 "[ . 1 . 2]" 1
269 1 50 LYS H 1 50 LYS HG3 0.000 . 4.760 4.573 3.935 4.904 0.144 9 0 "[ . 1 . 2]" 1
270 1 50 LYS H 1 51 ASP H 0.000 . 3.490 1.928 1.813 2.054 . 0 0 "[ . 1 . 2]" 1
271 1 50 LYS H 1 52 SER H 0.000 . 5.040 3.738 3.279 4.066 . 0 0 "[ . 1 . 2]" 1
272 1 50 LYS H 1 70 PHE QD 0.000 . 8.280 7.999 6.296 8.404 0.124 2 0 "[ . 1 . 2]" 1
273 1 50 LYS HA 1 51 ASP H 0.000 . 3.670 3.331 3.193 3.557 . 0 0 "[ . 1 . 2]" 1
274 1 50 LYS HA 1 51 ASP HA 0.000 . 6.170 4.628 4.559 4.715 . 0 0 "[ . 1 . 2]" 1
275 1 50 LYS HA 1 52 SER H 0.000 . 4.760 4.124 3.721 4.402 . 0 0 "[ . 1 . 2]" 1
276 1 50 LYS HA 1 53 LEU QD 0.000 . 7.550 2.300 1.468 5.439 . 0 0 "[ . 1 . 2]" 1
277 1 50 LYS QB 1 51 ASP H 0.000 . 5.100 3.232 2.303 3.465 . 0 0 "[ . 1 . 2]" 1
278 1 50 LYS QE 1 51 ASP H 0.000 . 6.720 5.442 2.496 6.557 . 0 0 "[ . 1 . 2]" 1
279 1 50 LYS QE 1 52 SER H 0.000 . 8.040 6.299 4.747 7.710 . 0 0 "[ . 1 . 2]" 1
280 1 50 LYS QE 1 53 LEU H 0.000 . 8.040 5.730 3.712 7.319 . 0 0 "[ . 1 . 2]" 1
281 1 50 LYS QE 1 54 LYS H 0.000 . 6.880 5.297 3.574 6.923 0.043 17 0 "[ . 1 . 2]" 1
282 1 50 LYS QG 1 52 SER H 0.000 . 8.040 5.520 4.875 5.904 . 0 0 "[ . 1 . 2]" 1
283 1 50 LYS HG3 1 51 ASP H 0.000 . 4.760 4.681 3.116 4.892 0.132 6 0 "[ . 1 . 2]" 1
284 1 50 LYS QZ 1 51 ASP H 0.000 . 8.030 6.004 3.773 7.417 . 0 0 "[ . 1 . 2]" 1
285 1 51 ASP H 1 51 ASP HA 0.000 . 2.670 2.914 2.822 2.935 0.265 19 0 "[ . 1 . 2]" 1
286 1 51 ASP H 1 52 SER H 0.000 . 3.060 2.339 2.175 2.748 . 0 0 "[ . 1 . 2]" 1
287 1 51 ASP H 1 53 LEU H 0.000 . 4.370 4.163 3.669 4.403 0.033 12 0 "[ . 1 . 2]" 1
288 1 51 ASP H 1 53 LEU HG 0.000 . 6.710 4.650 3.860 6.734 0.024 13 0 "[ . 1 . 2]" 1
289 1 51 ASP H 1 70 PHE QD 0.000 . 9.300 8.874 7.230 9.388 0.088 6 0 "[ . 1 . 2]" 1
290 1 51 ASP QB 1 52 SER H 0.000 . 4.670 3.131 2.808 3.708 . 0 0 "[ . 1 . 2]" 1
291 1 51 ASP QB 1 52 SER HA 0.000 . 8.040 4.169 3.846 4.709 . 0 0 "[ . 1 . 2]" 1
292 1 51 ASP QB 1 53 LEU H 0.000 . 6.160 4.983 4.635 5.528 . 0 0 "[ . 1 . 2]" 1
293 1 51 ASP QB 1 54 LYS H 0.000 . 7.130 4.944 4.654 5.397 . 0 0 "[ . 1 . 2]" 1
294 1 52 SER H 1 52 SER HA 0.000 . 3.020 2.841 2.731 2.902 . 0 0 "[ . 1 . 2]" 1
295 1 52 SER H 1 52 SER HB2 0.000 . 3.060 2.114 2.010 2.339 . 0 0 "[ . 1 . 2]" 1
296 1 52 SER H 1 52 SER HB3 0.000 . 3.060 3.264 2.839 3.479 0.419 5 0 "[ . 1 . 2]" 1
297 1 52 SER H 1 53 LEU H 0.000 . 3.020 2.501 2.165 2.888 . 0 0 "[ . 1 . 2]" 1
298 1 52 SER H 1 55 CYS H 0.000 . 6.080 6.221 5.859 6.323 0.243 8 0 "[ . 1 . 2]" 1
299 1 52 SER HA 1 53 LEU QB 0.000 . 7.600 5.521 5.304 5.640 . 0 0 "[ . 1 . 2]" 1
300 1 52 SER HA 1 55 CYS H 0.000 . 5.880 7.013 6.807 7.253 1.373 4 20 [-**+****************] 1
301 1 52 SER HB2 1 53 LEU H 0.000 . 4.370 3.050 2.492 3.546 . 0 0 "[ . 1 . 2]" 1
302 1 52 SER HB3 1 53 LEU H 0.000 . 4.370 3.072 2.464 3.840 . 0 0 "[ . 1 . 2]" 1
303 1 53 LEU H 1 53 LEU HG 0.000 . 4.100 2.032 1.571 3.048 . 0 0 "[ . 1 . 2]" 1
304 1 53 LEU H 1 55 CYS H 0.000 . 4.400 4.268 3.760 4.592 0.192 8 0 "[ . 1 . 2]" 1
305 1 53 LEU H 1 62 VAL MG1 0.000 . 7.000 6.774 5.578 7.109 0.109 12 0 "[ . 1 . 2]" 1
306 1 53 LEU H 1 62 VAL QG 0.000 . 6.510 5.849 4.669 6.084 . 0 0 "[ . 1 . 2]" 1
307 1 53 LEU H 1 62 VAL MG2 0.000 . 6.560 6.406 5.010 6.704 0.144 4 0 "[ . 1 . 2]" 1
308 1 53 LEU HA 1 54 LYS H 0.000 . 3.580 3.489 3.233 3.552 . 0 0 "[ . 1 . 2]" 1
309 1 53 LEU QB 1 54 LYS H 0.000 . 7.370 3.260 2.970 3.617 . 0 0 "[ . 1 . 2]" 1
310 1 53 LEU QD 1 54 LYS H 0.000 . 7.020 3.073 2.444 4.311 . 0 0 "[ . 1 . 2]" 1
311 1 53 LEU QD 1 55 CYS H 0.000 . 9.070 2.631 2.134 4.583 . 0 0 "[ . 1 . 2]" 1
312 1 53 LEU QD 1 72 CYS H 0.000 . 9.000 2.997 1.679 3.643 . 0 0 "[ . 1 . 2]" 1
313 1 53 LEU MD1 1 54 LYS H 0.000 . 8.260 3.447 2.802 5.308 . 0 0 "[ . 1 . 2]" 1
314 1 53 LEU MD2 1 54 LYS H 0.000 . 8.260 3.651 2.461 4.613 . 0 0 "[ . 1 . 2]" 1
315 1 53 LEU HG 1 54 LYS H 0.000 . 6.710 2.336 1.707 4.816 . 0 0 "[ . 1 . 2]" 1
316 1 53 LEU HG 1 72 CYS H 0.000 . 5.000 4.726 4.137 5.141 0.141 20 0 "[ . 1 . 2]" 1
317 1 54 LYS H 1 54 LYS HA 0.000 . 2.590 2.263 2.250 2.271 . 0 0 "[ . 1 . 2]" 1
318 1 54 LYS H 1 55 CYS H 0.000 . 3.350 2.728 2.607 3.036 . 0 0 "[ . 1 . 2]" 1
319 1 54 LYS HA 1 55 CYS H 0.000 . 3.600 3.083 2.856 3.432 . 0 0 "[ . 1 . 2]" 1
320 1 54 LYS QB 1 55 CYS H 0.000 . 5.030 3.628 2.978 4.025 . 0 0 "[ . 1 . 2]" 1
321 1 54 LYS QB 1 72 CYS H 0.000 . 7.800 6.371 5.582 7.484 . 0 0 "[ . 1 . 2]" 1
322 1 54 LYS QD 1 55 CYS H 0.000 . 7.470 5.629 4.735 6.050 . 0 0 "[ . 1 . 2]" 1
323 1 54 LYS QG 1 55 CYS H 0.000 . 8.040 4.480 3.718 4.670 . 0 0 "[ . 1 . 2]" 1
324 1 55 CYS H 1 55 CYS HB2 0.000 . 3.640 3.683 3.461 3.760 0.120 17 0 "[ . 1 . 2]" 1
325 1 55 CYS H 1 55 CYS HB3 0.000 . 3.100 2.847 2.441 2.964 . 0 0 "[ . 1 . 2]" 1
326 1 55 CYS H 1 56 PRO QD 0.000 . 7.050 3.750 3.639 4.083 . 0 0 "[ . 1 . 2]" 1
327 1 55 CYS H 1 57 CYS H 0.000 . 4.700 4.822 4.757 4.895 0.195 19 0 "[ . 1 . 2]" 1
328 1 55 CYS H 1 71 VAL HB 0.000 . 5.600 7.819 6.442 8.379 2.779 9 20 [********+***-*******] 1
329 1 55 CYS HA 1 57 CYS H 0.000 . 3.560 3.990 3.823 4.129 0.569 19 3 "[ . * 1 - . +2]" 1
330 1 55 CYS QB 1 57 CYS H 0.000 . 3.560 3.815 3.681 3.959 0.399 12 0 "[ . 1 . 2]" 1
331 1 55 CYS HB2 1 57 CYS H 0.000 . 4.340 4.462 4.383 4.576 0.236 12 0 "[ . 1 . 2]" 1
332 1 55 CYS HB3 1 57 CYS H 0.000 . 4.040 4.146 3.915 4.335 0.295 12 0 "[ . 1 . 2]" 1
333 1 55 CYS O 1 57 CYS H 0.000 . 2.300 2.380 2.327 2.481 0.181 5 0 "[ . 1 . 2]" 1
334 1 55 CYS O 1 57 CYS N 0.000 . 3.300 3.140 3.059 3.222 . 0 0 "[ . 1 . 2]" 1
335 1 56 PRO HA 1 57 CYS H 0.000 . 3.300 2.946 2.761 3.045 . 0 0 "[ . 1 . 2]" 1
336 1 56 PRO HA 1 72 CYS H 0.000 . 5.270 5.295 4.892 5.467 0.197 8 0 "[ . 1 . 2]" 1
337 1 56 PRO QD 1 57 CYS H 0.000 . 4.550 3.413 3.226 3.550 . 0 0 "[ . 1 . 2]" 1
338 1 56 PRO HD2 1 57 CYS H 0.000 . 5.060 3.549 3.356 3.707 . 0 0 "[ . 1 . 2]" 1
339 1 56 PRO HD3 1 57 CYS H 0.000 . 5.060 4.430 4.182 4.539 . 0 0 "[ . 1 . 2]" 1
340 1 56 PRO QG 1 57 CYS H 0.000 . 5.730 4.177 3.994 4.517 . 0 0 "[ . 1 . 2]" 1
341 1 57 CYS H 1 57 CYS HA 0.000 . 2.790 2.922 2.886 2.939 0.149 4 0 "[ . 1 . 2]" 1
342 1 57 CYS H 1 57 CYS QB 0.000 . 3.410 2.521 2.399 2.628 . 0 0 "[ . 1 . 2]" 1
343 1 57 CYS H 1 58 ASP H 0.000 . 4.620 4.149 2.391 4.558 . 0 0 "[ . 1 . 2]" 1
344 1 57 CYS HA 1 58 ASP H 0.000 . 3.060 2.459 2.077 3.385 0.325 19 0 "[ . 1 . 2]" 1
345 1 57 CYS QB 1 58 ASP H 0.000 . 2.790 3.070 2.148 4.025 1.235 12 5 "[- . 1*+ *. *2]" 1
346 1 58 ASP H 1 58 ASP HA 0.000 . 3.000 2.399 2.244 2.915 . 0 0 "[ . 1 . 2]" 1
347 1 58 ASP QB 1 60 GLU H 0.000 . 6.180 4.051 3.034 6.042 . 0 0 "[ . 1 . 2]" 1
348 1 60 GLU H 1 60 GLU HB2 0.000 . 3.320 2.726 2.357 3.196 . 0 0 "[ . 1 . 2]" 1
349 1 60 GLU H 1 60 GLU QB 0.000 . 3.010 2.352 2.257 2.639 . 0 0 "[ . 1 . 2]" 1
350 1 60 GLU H 1 60 GLU HB3 0.000 . 3.320 2.655 2.314 3.039 . 0 0 "[ . 1 . 2]" 1
351 1 60 GLU H 1 70 PHE HA 0.000 . 3.570 3.634 3.473 3.748 0.178 12 0 "[ . 1 . 2]" 1
352 1 60 GLU H 1 71 VAL H 0.000 . 3.080 2.852 2.562 3.135 0.055 12 0 "[ . 1 . 2]" 1
353 1 60 GLU H 1 71 VAL HA 0.000 . 4.080 4.658 4.140 4.997 0.917 12 14 "[ ***** *1*+ *.*-***]" 1
354 1 60 GLU H 1 71 VAL MG1 0.000 . 7.000 4.819 3.724 5.272 . 0 0 "[ . 1 . 2]" 1
355 1 60 GLU H 1 71 VAL QG 0.000 . 6.080 4.076 3.600 4.441 . 0 0 "[ . 1 . 2]" 1
356 1 60 GLU H 1 71 VAL MG2 0.000 . 7.020 4.642 3.859 5.435 . 0 0 "[ . 1 . 2]" 1
357 1 60 GLU H 1 71 VAL O 0.000 . 2.300 2.282 1.764 2.582 0.282 5 0 "[ . 1 . 2]" 1
358 1 60 GLU N 1 71 VAL O 0.000 . 3.300 3.172 2.703 3.460 0.160 5 0 "[ . 1 . 2]" 1
359 1 60 GLU O 1 71 VAL H 0.000 . 2.300 1.744 1.563 2.070 . 0 0 "[ . 1 . 2]" 1
360 1 60 GLU O 1 71 VAL N 0.000 . 3.300 2.668 2.549 2.906 . 0 0 "[ . 1 . 2]" 1
361 1 61 MET H 1 61 MET HA 0.000 . 2.930 2.890 2.808 2.953 0.023 16 0 "[ . 1 . 2]" 1
362 1 61 MET H 1 61 MET ME 0.000 . 4.250 4.250 3.489 4.755 0.505 14 2 "[ . 1 +.- 2]" 1
363 1 61 MET H 1 70 PHE HA 0.000 . 4.100 4.421 3.830 4.890 0.790 6 10 "[** *-+ **1 .* * *]" 1
364 1 61 MET H 1 71 VAL QG 0.000 . 8.800 4.692 3.024 5.992 . 0 0 "[ . 1 . 2]" 1
365 1 61 MET HA 1 62 VAL H 0.000 . 3.020 2.110 2.044 2.149 . 0 0 "[ . 1 . 2]" 1
366 1 61 MET HA 1 69 PHE H 0.000 . 4.090 4.086 3.910 4.244 0.154 8 0 "[ . 1 . 2]" 1
367 1 61 MET HA 1 70 PHE H 0.000 . 4.580 4.730 4.266 5.188 0.608 20 2 "[ . -1 . +]" 1
368 1 61 MET HA 1 70 PHE HA 0.000 . 5.080 2.653 2.211 3.139 . 0 0 "[ . 1 . 2]" 1
369 1 61 MET HA 1 71 VAL H 0.000 . 3.380 3.488 3.377 3.620 0.240 11 0 "[ . 1 . 2]" 1
370 1 61 MET QB 1 62 VAL H 0.000 . 5.060 3.754 3.676 3.829 . 0 0 "[ . 1 . 2]" 1
371 1 61 MET QB 1 71 VAL H 0.000 . 7.040 5.086 4.841 5.325 . 0 0 "[ . 1 . 2]" 1
372 1 61 MET ME 1 62 VAL H 0.000 . 6.570 4.904 4.181 5.588 . 0 0 "[ . 1 . 2]" 1
373 1 62 VAL H 1 62 VAL HB 0.000 . 4.300 2.681 2.414 3.025 . 0 0 "[ . 1 . 2]" 1
374 1 62 VAL H 1 63 SER H 0.000 . 4.210 4.058 3.138 4.327 0.117 17 0 "[ . 1 . 2]" 1
375 1 62 VAL H 1 69 PHE H 0.000 . 3.800 2.739 2.411 3.364 . 0 0 "[ . 1 . 2]" 1
376 1 62 VAL H 1 69 PHE HB2 0.000 . 5.410 4.504 2.863 5.436 0.026 4 0 "[ . 1 . 2]" 1
377 1 62 VAL H 1 69 PHE HB3 0.000 . 5.210 5.051 2.727 5.523 0.313 3 0 "[ . 1 . 2]" 1
378 1 62 VAL H 1 69 PHE O 0.000 . 2.300 1.803 1.595 2.210 . 0 0 "[ . 1 . 2]" 1
379 1 62 VAL H 1 70 PHE HA 0.000 . 3.940 3.658 3.248 4.003 0.063 18 0 "[ . 1 . 2]" 1
380 1 62 VAL H 1 71 VAL H 0.000 . 4.370 3.933 3.600 4.408 0.038 2 0 "[ . 1 . 2]" 1
381 1 62 VAL HA 1 63 SER H 0.000 . 2.330 2.224 2.126 2.644 0.314 9 0 "[ . 1 . 2]" 1
382 1 62 VAL QG 1 63 SER H 0.000 . 7.180 2.935 2.296 3.753 . 0 0 "[ . 1 . 2]" 1
383 1 62 VAL QG 1 69 PHE H 0.000 . 8.480 3.962 2.869 4.942 . 0 0 "[ . 1 . 2]" 1
384 1 62 VAL QG 1 70 PHE H 0.000 . 8.500 5.392 3.572 6.256 . 0 0 "[ . 1 . 2]" 1
385 1 62 VAL N 1 69 PHE O 0.000 . 3.300 2.757 2.566 3.163 . 0 0 "[ . 1 . 2]" 1
386 1 63 SER H 1 63 SER HB2 0.000 . 4.060 2.857 2.214 3.251 . 0 0 "[ . 1 . 2]" 1
387 1 63 SER H 1 63 SER HB3 0.000 . 4.060 3.573 3.424 3.736 . 0 0 "[ . 1 . 2]" 1
388 1 63 SER HA 1 67 CYS H 0.000 . 4.340 4.447 4.170 4.595 0.255 7 0 "[ . 1 . 2]" 1
389 1 63 SER HA 1 69 PHE H 0.000 . 3.810 3.703 2.826 3.955 0.145 20 0 "[ . 1 . 2]" 1
390 1 64 ASN HD21 1 65 SER H 0.000 . 6.510 3.531 2.646 4.365 . 0 0 "[ . 1 . 2]" 1
391 1 64 ASN HD21 1 66 THR H 0.000 . 6.510 4.569 3.558 5.363 . 0 0 "[ . 1 . 2]" 1
392 1 64 ASN HD21 1 67 CYS H 0.000 . 6.510 3.665 2.742 4.383 . 0 0 "[ . 1 . 2]" 1
393 1 64 ASN HD21 1 68 ARG H 0.000 . 5.510 5.270 4.615 5.641 0.131 11 0 "[ . 1 . 2]" 1
394 1 64 ASN HD21 1 69 PHE H 0.000 . 5.510 4.771 3.440 5.555 0.045 7 0 "[ . 1 . 2]" 1
395 1 64 ASN HD22 1 65 SER H 0.000 . 6.710 4.368 2.750 5.402 . 0 0 "[ . 1 . 2]" 1
396 1 64 ASN HD22 1 66 THR H 0.000 . 6.710 5.234 4.152 6.240 . 0 0 "[ . 1 . 2]" 1
397 1 64 ASN HD22 1 67 CYS H 0.000 . 6.510 4.205 2.946 5.189 . 0 0 "[ . 1 . 2]" 1
398 1 64 ASN HD22 1 68 ARG H 0.000 . 5.510 5.239 4.036 5.588 0.078 3 0 "[ . 1 . 2]" 1
399 1 64 ASN HD22 1 69 PHE H 0.000 . 5.510 4.592 3.184 5.597 0.087 19 0 "[ . 1 . 2]" 1
400 1 65 SER H 1 65 SER HA 0.000 . 3.030 2.915 2.843 2.943 . 0 0 "[ . 1 . 2]" 1
401 1 65 SER H 1 66 THR H 0.000 . 3.290 2.398 1.998 3.009 . 0 0 "[ . 1 . 2]" 1
402 1 65 SER QB 1 66 THR H 0.000 . 5.060 2.724 2.081 3.047 . 0 0 "[ . 1 . 2]" 1
403 1 65 SER QB 1 67 CYS H 0.000 . 6.060 4.263 3.775 4.719 . 0 0 "[ . 1 . 2]" 1
404 1 66 THR H 1 66 THR HB 0.000 . 3.240 3.175 3.026 3.293 0.053 18 0 "[ . 1 . 2]" 1
405 1 66 THR H 1 67 CYS H 0.000 . 2.430 1.729 1.600 1.928 . 0 0 "[ . 1 . 2]" 1
406 1 66 THR HA 1 67 CYS H 0.000 . 3.290 3.339 3.286 3.420 0.130 13 0 "[ . 1 . 2]" 1
407 1 66 THR HB 1 67 CYS H 0.000 . 3.340 3.465 3.360 3.545 0.205 17 0 "[ . 1 . 2]" 1
408 1 66 THR MG 1 67 CYS H 0.000 . 6.000 4.324 4.257 4.389 . 0 0 "[ . 1 . 2]" 1
409 1 66 THR MG 1 68 ARG H 0.000 . 7.210 6.306 6.060 6.540 . 0 0 "[ . 1 . 2]" 1
410 1 67 CYS H 1 67 CYS HB2 0.000 . 3.840 2.779 2.388 3.062 . 0 0 "[ . 1 . 2]" 1
411 1 67 CYS H 1 67 CYS HB3 0.000 . 3.840 3.666 3.561 3.830 . 0 0 "[ . 1 . 2]" 1
412 1 67 CYS HA 1 68 ARG H 0.000 . 2.260 2.310 2.188 2.429 0.169 4 0 "[ . 1 . 2]" 1
413 1 67 CYS QB 1 68 ARG HA 0.000 . 6.060 4.072 3.913 4.304 . 0 0 "[ . 1 . 2]" 1
414 1 67 CYS QB 1 68 ARG QB 0.000 . 9.070 4.446 4.118 4.661 . 0 0 "[ . 1 . 2]" 1
415 1 67 CYS HB2 1 68 ARG H 0.000 . 3.540 3.449 3.009 3.612 0.072 15 0 "[ . 1 . 2]" 1
416 1 67 CYS HB3 1 68 ARG H 0.000 . 3.140 2.695 2.258 3.200 0.060 18 0 "[ . 1 . 2]" 1
417 1 68 ARG H 1 68 ARG HA 0.000 . 3.000 2.937 2.914 2.956 . 0 0 "[ . 1 . 2]" 1
418 1 68 ARG H 1 68 ARG HE 0.000 . 5.380 4.809 3.186 5.472 0.092 15 0 "[ . 1 . 2]" 1
419 1 68 ARG H 1 69 PHE H 0.000 . 4.070 4.115 3.933 4.217 0.147 18 0 "[ . 1 . 2]" 1
420 1 68 ARG HE 1 69 PHE H 0.000 . 6.510 5.967 4.993 6.579 0.069 17 0 "[ . 1 . 2]" 1
421 1 68 ARG QG 1 69 PHE H 0.000 . 8.040 3.182 2.931 3.502 . 0 0 "[ . 1 . 2]" 1
422 1 69 PHE H 1 69 PHE HA 0.000 . 2.990 2.931 2.908 2.955 . 0 0 "[ . 1 . 2]" 1
423 1 69 PHE H 1 69 PHE HB2 0.000 . 4.080 3.402 2.463 3.918 . 0 0 "[ . 1 . 2]" 1
424 1 69 PHE H 1 69 PHE HB3 0.000 . 4.080 3.475 2.557 3.821 . 0 0 "[ . 1 . 2]" 1
425 1 69 PHE H 1 70 PHE H 0.000 . 5.210 4.459 4.369 4.548 . 0 0 "[ . 1 . 2]" 1
426 1 69 PHE H 1 70 PHE HA 0.000 . 6.380 4.907 4.643 5.114 . 0 0 "[ . 1 . 2]" 1
427 1 69 PHE HA 1 70 PHE QB 0.000 . 6.280 4.447 4.127 4.717 . 0 0 "[ . 1 . 2]" 1
428 1 70 PHE H 1 70 PHE HB2 0.000 . 3.420 3.136 2.327 3.731 0.311 2 0 "[ . 1 . 2]" 1
429 1 70 PHE H 1 70 PHE QB 0.000 . 3.130 2.635 2.299 3.008 . 0 0 "[ . 1 . 2]" 1
430 1 70 PHE H 1 70 PHE HB3 0.000 . 3.020 3.239 2.339 3.735 0.715 11 9 "[* * .-** *+ **. 2]" 1
431 1 70 PHE HA 1 71 VAL H 0.000 . 3.060 2.118 2.071 2.184 . 0 0 "[ . 1 . 2]" 1
432 1 70 PHE HA 1 71 VAL HA 0.000 . 6.070 4.373 4.312 4.424 . 0 0 "[ . 1 . 2]" 1
433 1 70 PHE QB 1 71 VAL H 0.000 . 5.030 3.357 2.966 3.655 . 0 0 "[ . 1 . 2]" 1
434 1 70 PHE HB2 1 71 VAL H 0.000 . 6.020 3.817 3.065 4.506 . 0 0 "[ . 1 . 2]" 1
435 1 70 PHE HB3 1 71 VAL H 0.000 . 6.020 3.959 3.489 4.451 . 0 0 "[ . 1 . 2]" 1
436 1 70 PHE QD 1 71 VAL H 0.000 . 9.090 4.345 3.623 4.678 . 0 0 "[ . 1 . 2]" 1
437 1 70 PHE QE 1 71 VAL H 0.000 . 9.490 6.323 5.438 6.704 . 0 0 "[ . 1 . 2]" 1
438 1 71 VAL H 1 71 VAL HB 0.000 . 3.070 2.628 2.200 3.025 . 0 0 "[ . 1 . 2]" 1
439 1 71 VAL HB 1 72 CYS H 0.000 . 4.080 3.694 2.579 4.236 0.156 12 0 "[ . 1 . 2]" 1
440 1 71 VAL QG 1 72 CYS H 0.000 . 5.180 2.132 1.497 2.611 . 0 0 "[ . 1 . 2]" 1
441 1 71 VAL QG 1 73 LYS H 0.000 . 9.320 4.690 3.844 5.281 . 0 0 "[ . 1 . 2]" 1
442 1 71 VAL MG1 1 72 CYS H 0.000 . 6.130 2.151 1.498 2.634 . 0 0 "[ . 1 . 2]" 1
443 1 71 VAL MG2 1 72 CYS H 0.000 . 6.130 3.729 3.199 4.289 . 0 0 "[ . 1 . 2]" 1
444 1 72 CYS H 1 72 CYS HA 0.000 . 3.080 2.824 2.756 2.882 . 0 0 "[ . 1 . 2]" 1
445 1 72 CYS H 1 72 CYS HB2 0.000 . 3.510 2.457 2.212 2.779 . 0 0 "[ . 1 . 2]" 1
446 1 72 CYS H 1 72 CYS QB 0.000 . 3.240 2.188 2.100 2.259 . 0 0 "[ . 1 . 2]" 1
447 1 72 CYS H 1 72 CYS HB3 0.000 . 3.510 2.500 2.174 2.861 . 0 0 "[ . 1 . 2]" 1
448 1 72 CYS H 1 73 LYS H 0.000 . 5.090 4.531 4.300 4.605 . 0 0 "[ . 1 . 2]" 1
449 1 72 CYS HA 1 73 LYS H 0.000 . 3.060 2.198 2.110 2.266 . 0 0 "[ . 1 . 2]" 1
450 1 72 CYS QB 1 73 LYS H 0.000 . 4.420 3.756 3.543 3.961 . 0 0 "[ . 1 . 2]" 1
451 1 72 CYS HB2 1 73 LYS H 0.000 . 5.090 4.286 4.073 4.489 . 0 0 "[ . 1 . 2]" 1
452 1 72 CYS HB3 1 73 LYS H 0.000 . 5.090 4.160 3.814 4.413 . 0 0 "[ . 1 . 2]" 1
453 1 73 LYS H 1 74 CYS H 0.000 . 4.060 2.222 1.848 2.584 . 0 0 "[ . 1 . 2]" 1
454 1 73 LYS HA 1 74 CYS H 0.000 . 3.070 2.932 2.661 3.133 0.063 4 0 "[ . 1 . 2]" 1
455 1 73 LYS HA 1 74 CYS QB 0.000 . 6.080 5.116 4.867 5.298 . 0 0 "[ . 1 . 2]" 1
456 1 73 LYS QB 1 74 CYS H 0.000 . 7.050 3.793 3.563 4.061 . 0 0 "[ . 1 . 2]" 1
457 1 73 LYS QD 1 74 CYS H 0.000 . 8.040 5.351 4.275 6.117 . 0 0 "[ . 1 . 2]" 1
458 1 74 CYS H 1 74 CYS HB2 0.000 . 4.070 3.685 3.532 3.830 . 0 0 "[ . 1 . 2]" 1
459 1 74 CYS H 1 74 CYS HB3 0.000 . 4.270 2.905 2.486 3.208 . 0 0 "[ . 1 . 2]" 1
460 1 74 CYS H 1 75 VAL H 0.000 . 4.110 3.402 2.057 4.428 0.318 9 0 "[ . 1 . 2]" 1
461 1 75 VAL H 1 75 VAL HA 0.000 . 2.910 2.924 2.893 2.946 0.036 8 0 "[ . 1 . 2]" 1
462 1 75 VAL H 1 75 VAL HB 0.000 . 3.000 2.872 2.685 3.005 0.005 18 0 "[ . 1 . 2]" 1
463 1 75 VAL H 1 76 GLU H 0.000 . 5.030 4.410 4.195 4.563 . 0 0 "[ . 1 . 2]" 1
464 1 75 VAL HA 1 76 GLU H 0.000 . 3.340 2.186 2.110 2.375 . 0 0 "[ . 1 . 2]" 1
465 1 75 VAL HB 1 76 GLU H 0.000 . 3.950 3.826 3.244 4.075 0.125 19 0 "[ . 1 . 2]" 1
466 1 75 VAL QG 1 76 GLU H 0.000 . 7.370 2.460 2.035 3.053 . 0 0 "[ . 1 . 2]" 1
467 1 75 VAL QG 1 77 ARG H 0.000 . 9.090 3.849 1.721 5.850 . 0 0 "[ . 1 . 2]" 1
468 1 75 VAL QG 1 78 ARG H 0.000 . 10.150 4.332 2.727 5.729 . 0 0 "[ . 1 . 2]" 1
469 1 75 VAL QG 1 79 ALA H 0.000 . 10.150 5.030 2.834 8.132 . 0 0 "[ . 1 . 2]" 1
470 1 75 VAL QG 1 80 GLU H 0.000 . 9.050 5.733 2.743 7.849 . 0 0 "[ . 1 . 2]" 1
471 1 76 GLU QG 1 77 ARG H 0.000 . 7.080 3.356 2.255 4.425 . 0 0 "[ . 1 . 2]" 1
472 1 76 GLU QG 1 78 ARG H 0.000 . 8.040 5.313 3.952 6.645 . 0 0 "[ . 1 . 2]" 1
473 1 76 GLU QG 1 78 ARG HA 0.000 . 8.040 6.833 5.081 7.507 . 0 0 "[ . 1 . 2]" 1
474 1 76 GLU QG 1 79 ALA H 0.000 . 8.140 6.685 3.937 8.161 0.021 13 0 "[ . 1 . 2]" 1
475 1 77 ARG H 1 77 ARG HA 0.000 . 2.560 2.878 2.786 2.936 0.376 5 0 "[ . 1 . 2]" 1
476 1 78 ARG H 1 78 ARG HA 0.000 . 2.560 2.861 2.789 2.949 0.389 5 0 "[ . 1 . 2]" 1
477 1 78 ARG QB 1 79 ALA H 0.000 . 5.310 3.280 2.019 4.034 . 0 0 "[ . 1 . 2]" 1
478 1 78 ARG QB 1 80 GLU H 0.000 . 5.360 4.442 3.293 5.382 0.022 18 0 "[ . 1 . 2]" 1
479 1 78 ARG QD 1 79 ALA H 0.000 . 8.140 4.969 3.447 5.881 . 0 0 "[ . 1 . 2]" 1
480 1 78 ARG QG 1 79 ALA H 0.000 . 7.610 3.458 2.104 4.493 . 0 0 "[ . 1 . 2]" 1
481 1 79 ALA H 1 79 ALA HA 0.000 . 2.560 2.882 2.801 2.944 0.384 10 0 "[ . 1 . 2]" 1
482 1 79 ALA MB 1 80 GLU H 0.000 . 4.960 3.473 2.676 3.716 . 0 0 "[ . 1 . 2]" 1
483 1 80 GLU H 1 80 GLU HA 0.000 . 3.100 2.890 2.823 2.941 . 0 0 "[ . 1 . 2]" 1
484 1 80 GLU HA 1 81 VAL H 0.000 . 2.690 2.187 2.121 2.353 . 0 0 "[ . 1 . 2]" 1
485 1 80 GLU QG 1 81 VAL H 0.000 . 8.140 2.607 2.097 3.045 . 0 0 "[ . 1 . 2]" 1
486 1 81 VAL H 1 81 VAL HB 0.000 . 2.870 2.811 2.663 2.916 0.046 8 0 "[ . 1 . 2]" 1
487 1 81 VAL HA 1 82 THR HA 0.000 . 6.910 4.342 4.309 4.370 . 0 0 "[ . 1 . 2]" 1
488 1 81 VAL HB 1 82 THR H 0.000 . 3.950 3.875 3.398 4.035 0.085 8 0 "[ . 1 . 2]" 1
489 1 81 VAL QG 1 82 THR H 0.000 . 8.280 2.466 1.928 2.820 . 0 0 "[ . 1 . 2]" 1
490 1 81 VAL QG 1 83 SER H 0.000 . 9.240 3.829 1.904 5.267 . 0 0 "[ . 1 . 2]" 1
491 1 82 THR H 1 82 THR HB 0.000 . 2.650 2.586 2.278 2.804 0.154 5 0 "[ . 1 . 2]" 1
492 1 82 THR MG 1 83 SER H 0.000 . 6.780 3.418 2.036 4.287 . 0 0 "[ . 1 . 2]" 1
493 1 83 SER H 1 83 SER HA 0.000 . 2.560 2.896 2.778 2.944 0.384 13 0 "[ . 1 . 2]" 1
494 1 83 SER HA 1 84 ASN H 0.000 . 2.870 2.627 2.146 3.074 0.204 9 0 "[ . 1 . 2]" 1
495 1 85 ASN H 1 85 ASN HA 0.000 . 2.870 2.896 2.827 2.935 0.065 6 0 "[ . 1 . 2]" 1
496 1 85 ASN HA 1 86 GLU H 0.000 . 3.570 3.510 3.409 3.571 0.001 15 0 "[ . 1 . 2]" 1
497 1 86 GLU H 1 86 GLU HB2 0.000 . 3.870 2.898 2.306 3.380 . 0 0 "[ . 1 . 2]" 1
498 1 86 GLU H 1 86 GLU QB 0.000 . 3.370 2.621 2.214 2.968 . 0 0 "[ . 1 . 2]" 1
499 1 86 GLU H 1 86 GLU HB3 0.000 . 3.870 3.022 2.685 3.388 . 0 0 "[ . 1 . 2]" 1
500 1 87 VAL H 1 87 VAL HA 0.000 . 2.690 2.861 2.829 2.911 0.221 10 0 "[ . 1 . 2]" 1
501 1 87 VAL H 1 87 VAL HB 0.000 . 3.300 2.686 2.368 3.048 . 0 0 "[ . 1 . 2]" 1
502 1 88 VAL H 1 88 VAL HA 0.000 . 3.100 2.856 2.812 2.918 . 0 0 "[ . 1 . 2]" 1
503 1 88 VAL H 1 88 VAL HB 0.000 . 3.120 2.722 2.546 2.929 . 0 0 "[ . 1 . 2]" 1
504 1 88 VAL H 1 88 VAL MG1 0.000 . 4.800 3.763 3.701 3.821 . 0 0 "[ . 1 . 2]" 1
505 1 88 VAL H 1 88 VAL QG 0.000 . 4.100 1.922 1.597 2.424 . 0 0 "[ . 1 . 2]" 1
506 1 88 VAL H 1 88 VAL MG2 0.000 . 4.800 1.930 1.599 2.451 . 0 0 "[ . 1 . 2]" 1
507 1 89 VAL H 1 89 VAL HA 0.000 . 3.100 2.836 2.790 2.885 . 0 0 "[ . 1 . 2]" 1
508 1 89 VAL H 1 89 VAL HB 0.000 . 2.910 2.868 2.659 2.955 0.045 1 0 "[ . 1 . 2]" 1
509 1 89 VAL H 1 89 VAL MG1 0.000 . 4.480 3.718 3.666 3.766 . 0 0 "[ . 1 . 2]" 1
510 1 89 VAL H 1 89 VAL MG2 0.000 . 4.480 1.712 1.483 2.090 . 0 0 "[ . 1 . 2]" 1
511 1 89 VAL HA 1 90 LYS H 0.000 . 2.560 2.208 2.125 2.366 . 0 0 "[ . 1 . 2]" 1
512 1 89 VAL HB 1 90 LYS H 0.000 . 3.820 3.723 3.252 3.888 0.068 1 0 "[ . 1 . 2]" 1
513 1 89 VAL QG 1 91 GLU H 0.000 . 8.970 3.933 2.293 5.338 . 0 0 "[ . 1 . 2]" 1
514 1 89 VAL MG1 1 90 LYS H 0.000 . 5.440 2.375 1.861 2.717 . 0 0 "[ . 1 . 2]" 1
515 1 89 VAL MG2 1 90 LYS H 0.000 . 5.440 4.202 4.041 4.326 . 0 0 "[ . 1 . 2]" 1
516 1 90 LYS H 1 90 LYS QD 0.000 . 5.830 4.271 3.742 4.960 . 0 0 "[ . 1 . 2]" 1
517 1 90 LYS QB 1 91 GLU H 0.000 . 5.580 3.131 1.625 4.023 . 0 0 "[ . 1 . 2]" 1
518 1 90 LYS QB 1 92 GLU H 0.000 . 5.830 4.356 2.703 5.315 . 0 0 "[ . 1 . 2]" 1
519 1 90 LYS QG 1 91 GLU H 0.000 . 8.140 3.381 1.717 4.591 . 0 0 "[ . 1 . 2]" 1
520 1 91 GLU H 1 91 GLU HA 0.000 . 2.560 2.903 2.840 2.948 0.388 11 0 "[ . 1 . 2]" 1
521 1 91 GLU H 1 93 TYR QD 0.000 . 9.910 6.958 6.155 7.899 . 0 0 "[ . 1 . 2]" 1
522 1 91 GLU H 1 93 TYR QE 0.000 . 9.900 7.552 6.091 8.719 . 0 0 "[ . 1 . 2]" 1
523 1 91 GLU HA 1 92 GLU H 0.000 . 4.040 2.663 2.145 3.548 . 0 0 "[ . 1 . 2]" 1
524 1 92 GLU H 1 92 GLU HA 0.000 . 2.950 2.873 2.805 2.946 . 0 0 "[ . 1 . 2]" 1
525 1 92 GLU H 1 93 TYR QD 0.000 . 9.910 5.878 5.378 6.506 . 0 0 "[ . 1 . 2]" 1
526 1 92 GLU H 1 93 TYR QE 0.000 . 9.900 7.047 6.072 8.076 . 0 0 "[ . 1 . 2]" 1
527 1 93 TYR H 1 93 TYR HB2 0.000 . 3.640 2.596 2.071 3.630 . 0 0 "[ . 1 . 2]" 1
528 1 93 TYR H 1 93 TYR QB 0.000 . 3.210 2.387 2.052 3.122 . 0 0 "[ . 1 . 2]" 1
529 1 93 TYR H 1 93 TYR HB3 0.000 . 3.640 3.346 2.663 3.649 0.009 3 0 "[ . 1 . 2]" 1
530 1 93 TYR HA 1 94 LYS H 0.000 . 2.830 2.198 2.114 2.290 . 0 0 "[ . 1 . 2]" 1
531 1 93 TYR QD 1 94 LYS H 0.000 . 9.910 3.880 3.040 4.562 . 0 0 "[ . 1 . 2]" 1
532 1 93 TYR QE 1 94 LYS H 0.000 . 9.900 5.775 4.634 6.651 . 0 0 "[ . 1 . 2]" 1
533 1 94 LYS H 1 94 LYS QD 0.000 . 5.750 4.478 3.861 5.011 . 0 0 "[ . 1 . 2]" 1
534 1 94 LYS H 1 94 LYS QE 0.000 . 7.320 4.898 3.082 6.057 . 0 0 "[ . 1 . 2]" 1
535 1 96 GLU H 1 96 GLU HB2 0.000 . 3.870 2.664 2.154 3.133 . 0 0 "[ . 1 . 2]" 1
536 1 96 GLU H 1 96 GLU QB 0.000 . 3.270 2.396 2.097 2.836 . 0 0 "[ . 1 . 2]" 1
537 1 96 GLU H 1 96 GLU HB3 0.000 . 3.870 2.807 2.220 3.239 . 0 0 "[ . 1 . 2]" 1
538 1 96 GLU H 1 97 TYR QD 0.000 . 9.910 5.846 5.175 6.754 . 0 0 "[ . 1 . 2]" 1
539 1 96 GLU H 1 97 TYR QE 0.000 . 9.900 7.414 6.160 8.839 . 0 0 "[ . 1 . 2]" 1
540 1 96 GLU HA 1 97 TYR H 0.000 . 2.910 2.370 2.132 2.957 0.047 4 0 "[ . 1 . 2]" 1
541 1 96 GLU QB 1 97 TYR H 0.000 . 4.350 3.418 2.344 3.958 . 0 0 "[ . 1 . 2]" 1
542 1 96 GLU QB 1 98 ALA H 0.000 . 7.050 4.908 2.859 6.337 . 0 0 "[ . 1 . 2]" 1
543 1 96 GLU QB 1 99 ASP H 0.000 . 6.800 6.222 5.311 6.852 0.052 4 0 "[ . 1 . 2]" 1
544 1 96 GLU HB2 1 97 TYR H 0.000 . 5.220 4.150 3.586 4.608 . 0 0 "[ . 1 . 2]" 1
545 1 96 GLU HB3 1 97 TYR H 0.000 . 5.220 3.695 2.376 4.432 . 0 0 "[ . 1 . 2]" 1
546 1 97 TYR H 1 97 TYR HB2 0.000 . 3.640 2.730 2.214 3.514 . 0 0 "[ . 1 . 2]" 1
547 1 97 TYR H 1 97 TYR QB 0.000 . 3.200 2.512 2.188 2.961 . 0 0 "[ . 1 . 2]" 1
548 1 97 TYR H 1 97 TYR HB3 0.000 . 3.640 3.204 2.696 3.688 0.048 2 0 "[ . 1 . 2]" 1
549 1 97 TYR HA 1 98 ALA H 0.000 . 2.830 2.481 2.186 2.957 0.127 20 0 "[ . 1 . 2]" 1
550 1 97 TYR QB 1 99 ASP H 0.000 . 7.440 3.928 2.107 6.295 . 0 0 "[ . 1 . 2]" 1
551 1 97 TYR HB2 1 98 ALA H 0.000 . 4.000 4.268 3.723 4.664 0.664 10 7 "[ .** + *-*.* 2]" 1
552 1 97 TYR HB3 1 98 ALA H 0.000 . 4.000 3.706 2.292 4.580 0.580 19 1 "[ . 1 . +2]" 1
553 1 97 TYR QD 1 98 ALA H 0.000 . 9.910 3.818 2.785 4.962 . 0 0 "[ . 1 . 2]" 1
554 1 97 TYR QD 1 99 ASP H 0.000 . 9.910 4.620 3.308 7.262 . 0 0 "[ . 1 . 2]" 1
555 1 97 TYR QE 1 98 ALA H 0.000 . 9.900 5.483 3.793 6.762 . 0 0 "[ . 1 . 2]" 1
556 1 98 ALA H 1 99 ASP H 0.000 . 3.300 2.737 1.556 3.402 0.102 3 0 "[ . 1 . 2]" 1
557 1 98 ALA HA 1 99 ASP H 0.000 . 2.870 3.079 2.375 3.521 0.651 7 8 "[ * *. + *1 *.* *-]" 1
558 1 98 ALA HA 1 99 ASP QB 0.000 . 6.060 4.923 4.285 5.668 . 0 0 "[ . 1 . 2]" 1
559 1 98 ALA MB 1 99 ASP H 0.000 . 5.400 3.080 1.660 3.710 . 0 0 "[ . 1 . 2]" 1
560 1 99 ASP H 1 100 ILE H 0.000 . 5.290 4.049 2.019 4.604 . 0 0 "[ . 1 . 2]" 1
561 1 99 ASP HA 1 100 ILE H 0.000 . 2.870 2.476 2.156 2.962 0.092 5 0 "[ . 1 . 2]" 1
562 1 100 ILE H 1 100 ILE HB 0.000 . 3.160 3.031 2.732 3.246 0.086 12 0 "[ . 1 . 2]" 1
563 1 100 ILE H 1 100 ILE HG12 0.000 . 4.610 4.535 4.391 4.662 0.052 12 0 "[ . 1 . 2]" 1
564 1 100 ILE H 1 100 ILE HG13 0.000 . 4.610 4.365 4.287 4.454 . 0 0 "[ . 1 . 2]" 1
565 1 100 ILE H 1 101 PRO HD2 0.000 . 6.910 4.942 4.593 5.407 . 0 0 "[ . 1 . 2]" 1
566 1 100 ILE H 1 101 PRO HD3 0.000 . 6.910 4.540 4.188 4.934 . 0 0 "[ . 1 . 2]" 1
567 1 103 HIS H 1 103 HIS HA 0.000 . 3.080 2.875 2.787 2.945 . 0 0 "[ . 1 . 2]" 1
568 1 104 LYS H 1 105 PRO HD2 0.000 . 7.720 4.309 1.691 5.427 . 0 0 "[ . 1 . 2]" 1
569 1 104 LYS H 1 105 PRO HD3 0.000 . 7.720 3.943 2.230 4.971 . 0 0 "[ . 1 . 2]" 1
570 1 104 LYS QB 1 106 THR H 0.000 . 6.870 4.975 3.084 6.025 . 0 0 "[ . 1 . 2]" 1
571 1 105 PRO QB 1 107 TYR H 0.000 . 8.950 4.727 2.546 6.574 . 0 0 "[ . 1 . 2]" 1
572 1 105 PRO QD 1 106 THR H 0.000 . 7.850 4.165 1.948 4.989 . 0 0 "[ . 1 . 2]" 1
573 1 105 PRO QG 1 107 TYR H 0.000 . 8.950 5.781 3.288 7.928 . 0 0 "[ . 1 . 2]" 1
574 1 106 THR H 1 106 THR HB 0.000 . 3.540 3.195 2.505 3.693 0.153 16 0 "[ . 1 . 2]" 1
575 1 106 THR HA 1 107 TYR H 0.000 . 3.840 2.876 2.137 3.581 . 0 0 "[ . 1 . 2]" 1
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